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: -1488.88, 84.0284, 99.7134, 41.9524, 427.93, -273.276, -1869.59, 0.334331, 2.389395E-02 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 7.43029E-03,0.487565,1.1969,42.5422,1.807358E-03,7.090949E-02 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 7, 1 REMARK =============================================================== REMARK DATE:10-Jun-2010 13:38:50 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 -21.502 -25.158 13.290 1.00 62.45 ATOM 2 CB MET 1 -23.255 -25.856 14.309 1.00 71.34 ATOM 3 HB1 MET 1 -23.397 -26.613 13.553 1.00 39.93 ATOM 4 HB2 MET 1 -23.867 -24.999 14.064 1.00 1.45 ATOM 5 CG MET 1 -23.739 -26.420 15.644 1.00 23.32 ATOM 6 HG1 MET 1 -23.603 -25.669 16.411 1.00 39.93 ATOM 7 HG2 MET 1 -23.148 -27.291 15.889 1.00 51.41 ATOM 8 SD MET 1 -25.476 -26.896 15.608 1.00 42.41 ATOM 9 CE MET 1 -25.687 -27.528 17.272 1.00 60.31 ATOM 10 HE1 MET 1 -26.711 -27.840 17.410 1.00 4.53 ATOM 11 HE2 MET 1 -25.447 -26.753 17.985 1.00 22.34 ATOM 12 HE3 MET 1 -25.030 -28.371 17.422 1.00 53.43 ATOM 13 C MET 1 -21.576 -24.190 15.202 1.00 10.44 ATOM 14 O MET 1 -22.010 -24.169 16.353 1.00 64.43 ATOM 15 N MET 1 -20.917 -26.570 14.711 1.00 34.22 ATOM 16 HT1 MET 1 -21.085 -27.388 14.085 1.00 39.93 ATOM 17 HT2 MET 1 -21.130 -26.851 15.688 1.00 39.93 ATOM 18 HT3 MET 1 -19.912 -26.307 14.653 1.00 39.93 ATOM 19 CA MET 1 -21.777 -25.427 14.302 1.00 55.23 ATOM 20 N GLY 2 -20.887 -23.176 14.672 1.00 23.41 ATOM 21 HN GLY 2 -20.441 -23.305 13.807 1.00 39.93 ATOM 22 CA GLY 2 -20.786 -21.876 15.343 1.00 30.13 ATOM 23 HA1 GLY 2 -21.786 -21.488 15.485 1.00 39.93 ATOM 24 HA2 GLY 2 -20.254 -21.200 14.690 1.00 25.31 ATOM 25 C GLY 2 -20.074 -21.894 16.698 1.00 55.31 ATOM 26 O GLY 2 -20.688 -22.164 17.733 1.00 41.00 ATOM 27 N HIS 3 -18.777 -21.589 16.699 1.00 74.21 ATOM 28 HN HIS 3 -18.311 -21.481 15.841 1.00 39.93 ATOM 29 CA HIS 3 -18.025 -21.401 17.949 1.00 1.44 ATOM 30 HA HIS 3 -18.702 -21.587 18.773 1.00 11.44 ATOM 31 CB HIS 3 -16.855 -22.393 18.039 1.00 72.20 ATOM 32 HB1 HIS 3 -16.226 -22.125 18.876 1.00 39.93 ATOM 33 HB2 HIS 3 -16.274 -22.338 17.129 1.00 62.42 ATOM 34 CG HIS 3 -17.287 -23.819 18.222 1.00 34.33 ATOM 35 ND1 HIS 3 -17.275 -24.748 17.204 1.00 15.41 ATOM 36 HD1 HIS 3 -16.994 -24.581 16.277 1.00 44.42 ATOM 37 CD2 HIS 3 -17.740 -24.477 19.318 1.00 55.43 ATOM 38 HD2 HIS 3 -17.876 -24.060 20.306 1.00 53.22 ATOM 39 CE1 HIS 3 -17.700 -25.909 17.663 1.00 1.21 ATOM 40 HE1 HIS 3 -17.793 -26.819 17.088 1.00 5.54 ATOM 41 NE2 HIS 3 -17.988 -25.773 18.939 1.00 63.53 ATOM 42 HE2 HIS 3 -18.217 -26.510 19.548 1.00 39.93 ATOM 43 C HIS 3 -17.517 -19.952 18.062 1.00 3.54 ATOM 44 O HIS 3 -16.456 -19.609 17.538 1.00 14.33 ATOM 45 N HIS 4 -18.299 -19.104 18.735 1.00 12.41 ATOM 46 HN HIS 4 -19.119 -19.448 19.154 1.00 39.93 ATOM 47 CA HIS 4 -17.976 -17.675 18.876 1.00 10.01 ATOM 48 HA HIS 4 -17.660 -17.309 17.908 1.00 61.43 ATOM 49 CB HIS 4 -19.239 -16.910 19.311 1.00 43.51 ATOM 50 HB1 HIS 4 -19.504 -17.212 20.316 1.00 39.93 ATOM 51 HB2 HIS 4 -20.050 -17.166 18.645 1.00 30.12 ATOM 52 CG HIS 4 -19.098 -15.412 19.301 1.00 14.43 ATOM 53 ND1 HIS 4 -19.025 -14.653 20.451 1.00 31.54 ATOM 54 HD1 HIS 4 -19.051 -14.998 21.370 1.00 42.32 ATOM 55 CD2 HIS 4 -19.050 -14.527 18.272 1.00 25.55 ATOM 56 HD2 HIS 4 -19.081 -14.766 17.219 1.00 22.13 ATOM 57 CE1 HIS 4 -18.941 -13.376 20.133 1.00 12.13 ATOM 58 HE1 HIS 4 -18.875 -12.555 20.832 1.00 53.52 ATOM 59 NE2 HIS 4 -18.953 -13.270 18.820 1.00 11.03 ATOM 60 HE2 HIS 4 -19.085 -12.428 18.329 1.00 39.93 ATOM 61 C HIS 4 -16.833 -17.459 19.889 1.00 74.02 ATOM 62 O HIS 4 -17.000 -17.696 21.086 1.00 11.23 ATOM 63 N HIS 5 -15.676 -17.003 19.403 1.00 10.11 ATOM 64 HN HIS 5 -15.620 -16.764 18.452 1.00 39.93 ATOM 65 CA HIS 5 -14.487 -16.841 20.252 1.00 3.54 ATOM 66 HA HIS 5 -14.431 -17.702 20.903 1.00 64.34 ATOM 67 CB HIS 5 -13.221 -16.794 19.382 1.00 2.11 ATOM 68 HB1 HIS 5 -13.162 -15.830 18.896 1.00 39.93 ATOM 69 HB2 HIS 5 -13.283 -17.565 18.627 1.00 51.12 ATOM 70 CG HIS 5 -11.949 -17.005 20.151 1.00 20.44 ATOM 71 ND1 HIS 5 -11.365 -18.241 20.305 1.00 52.31 ATOM 72 HD1 HIS 5 -11.702 -19.082 19.931 1.00 43.12 ATOM 73 CD2 HIS 5 -11.151 -16.136 20.818 1.00 74.52 ATOM 74 HD2 HIS 5 -11.300 -15.068 20.907 1.00 70.14 ATOM 75 CE1 HIS 5 -10.274 -18.127 21.032 1.00 41.24 ATOM 76 HE1 HIS 5 -9.621 -18.937 21.320 1.00 51.41 ATOM 77 NE2 HIS 5 -10.119 -16.862 21.357 1.00 51.31 ATOM 78 HE2 HIS 5 -9.484 -16.530 22.027 1.00 39.93 ATOM 79 C HIS 5 -14.583 -15.572 21.121 1.00 44.44 ATOM 80 O HIS 5 -14.951 -14.502 20.640 1.00 30.24 ATOM 81 N HIS 6 -14.225 -15.698 22.395 1.00 70.23 ATOM 82 HN HIS 6 -13.888 -16.567 22.707 1.00 39.93 ATOM 83 CA HIS 6 -14.319 -14.588 23.355 1.00 35.43 ATOM 84 HA HIS 6 -15.059 -13.888 22.989 1.00 73.31 ATOM 85 CB HIS 6 -14.792 -15.152 24.710 1.00 50.33 ATOM 86 HB1 HIS 6 -14.020 -15.796 25.110 1.00 39.93 ATOM 87 HB2 HIS 6 -15.686 -15.736 24.553 1.00 11.05 ATOM 88 CG HIS 6 -15.109 -14.120 25.748 1.00 32.32 ATOM 89 ND1 HIS 6 -16.170 -13.252 25.644 1.00 73.31 ATOM 90 HD1 HIS 6 -16.812 -13.217 24.903 1.00 43.42 ATOM 91 CD2 HIS 6 -14.497 -13.816 26.918 1.00 53.04 ATOM 92 HD2 HIS 6 -13.621 -14.299 27.328 1.00 25.43 ATOM 93 CE1 HIS 6 -16.198 -12.461 26.695 1.00 22.10 ATOM 94 HE1 HIS 6 -16.921 -11.680 26.879 1.00 2.32 ATOM 95 NE2 HIS 6 -15.194 -12.780 27.484 1.00 24.42 ATOM 96 HE2 HIS 6 -14.882 -12.236 28.240 1.00 39.93 ATOM 97 C HIS 6 -12.963 -13.851 23.501 1.00 3.51 ATOM 98 O HIS 6 -11.973 -14.232 22.878 1.00 4.13 ATOM 99 N HIS 7 -12.949 -12.765 24.286 1.00 44.53 ATOM 100 HN HIS 7 -13.808 -12.415 24.610 1.00 39.93 ATOM 101 CA HIS 7 -11.716 -12.032 24.656 1.00 53.13 ATOM 102 HA HIS 7 -11.967 -11.433 25.521 1.00 54.20 ATOM 103 CB HIS 7 -10.577 -12.985 25.060 1.00 61.23 ATOM 104 HB1 HIS 7 -9.669 -12.415 25.189 1.00 39.93 ATOM 105 HB2 HIS 7 -10.428 -13.713 24.276 1.00 72.33 ATOM 106 CG HIS 7 -10.832 -13.731 26.332 1.00 4.53 ATOM 107 ND1 HIS 7 -10.858 -15.104 26.409 1.00 14.10 ATOM 108 HD1 HIS 7 -10.709 -15.725 25.661 1.00 21.24 ATOM 109 CD2 HIS 7 -11.059 -13.285 27.589 1.00 25.44 ATOM 110 HD2 HIS 7 -11.107 -12.251 27.901 1.00 50.25 ATOM 111 CE1 HIS 7 -11.093 -15.468 27.653 1.00 74.12 ATOM 112 HE1 HIS 7 -11.172 -16.485 28.007 1.00 62.14 ATOM 113 NE2 HIS 7 -11.220 -14.385 28.391 1.00 23.24 ATOM 114 HE2 HIS 7 -11.635 -14.368 29.282 1.00 39.93 ATOM 115 C HIS 7 -11.226 -11.069 23.562 1.00 4.32 ATOM 116 O HIS 7 -11.028 -9.883 23.830 1.00 62.22 ATOM 117 N HIS 8 -11.013 -11.573 22.344 1.00 45.24 ATOM 118 HN HIS 8 -11.213 -12.517 22.176 1.00 39.93 ATOM 119 CA HIS 8 -10.463 -10.740 21.259 1.00 35.05 ATOM 120 HA HIS 8 -9.474 -10.432 21.574 1.00 32.25 ATOM 121 CB HIS 8 -10.327 -11.539 19.952 1.00 3.22 ATOM 122 HB1 HIS 8 -9.735 -12.422 20.142 1.00 39.93 ATOM 123 HB2 HIS 8 -9.820 -10.929 19.220 1.00 64.20 ATOM 124 CG HIS 8 -11.628 -11.978 19.354 1.00 31.03 ATOM 125 ND1 HIS 8 -12.194 -11.366 18.260 1.00 4.25 ATOM 126 HD1 HIS 8 -11.824 -10.596 17.779 1.00 24.31 ATOM 127 CD2 HIS 8 -12.471 -12.977 19.698 1.00 23.03 ATOM 128 HD2 HIS 8 -12.341 -13.671 20.518 1.00 13.55 ATOM 129 CE1 HIS 8 -13.324 -11.966 17.957 1.00 60.12 ATOM 130 HE1 HIS 8 -13.979 -11.704 17.139 1.00 62.42 ATOM 131 NE2 HIS 8 -13.517 -12.947 18.814 1.00 74.42 ATOM 132 HE2 HIS 8 -14.370 -13.416 18.937 1.00 39.93 ATOM 133 C HIS 8 -11.307 -9.470 21.031 1.00 14.03 ATOM 134 O HIS 8 -12.400 -9.523 20.467 1.00 41.31 ATOM 135 N SER 9 -10.784 -8.334 21.494 1.00 4.01 ATOM 136 HN SER 9 -9.903 -8.363 21.923 1.00 39.93 ATOM 137 CA SER 9 -11.482 -7.045 21.385 1.00 63.22 ATOM 138 HA SER 9 -11.735 -6.893 20.345 1.00 34.34 ATOM 139 CB SER 9 -12.774 -7.051 22.217 1.00 74.44 ATOM 140 HB1 SER 9 -12.533 -7.237 23.253 1.00 39.93 ATOM 141 HB2 SER 9 -13.429 -7.830 21.855 1.00 53.24 ATOM 142 OG SER 9 -13.453 -5.806 22.122 1.00 10.25 ATOM 143 HG SER 9 -13.461 -5.379 22.988 1.00 23.22 ATOM 144 C SER 9 -10.591 -5.887 21.846 1.00 31.42 ATOM 145 O SER 9 -9.695 -6.065 22.674 1.00 72.23 ATOM 146 N HIS 10 -10.834 -4.701 21.299 1.00 33.23 ATOM 147 HN HIS 10 -11.540 -4.629 20.619 1.00 39.93 ATOM 148 CA HIS 10 -10.095 -3.495 21.686 1.00 62.13 ATOM 149 HA HIS 10 -9.472 -3.746 22.534 1.00 64.24 ATOM 150 CB HIS 10 -9.197 -3.022 20.533 1.00 24.31 ATOM 151 HB1 HIS 10 -8.764 -2.064 20.788 1.00 39.93 ATOM 152 HB2 HIS 10 -9.795 -2.913 19.640 1.00 52.50 ATOM 153 CG HIS 10 -8.074 -3.969 20.224 1.00 71.30 ATOM 154 ND1 HIS 10 -6.760 -3.717 20.558 1.00 23.40 ATOM 155 HD1 HIS 10 -6.424 -2.909 21.010 1.00 1.13 ATOM 156 CD2 HIS 10 -8.074 -5.181 19.616 1.00 61.01 ATOM 157 HD2 HIS 10 -8.935 -5.701 19.220 1.00 3.13 ATOM 158 CE1 HIS 10 -6.006 -4.727 20.174 1.00 71.54 ATOM 159 HE1 HIS 10 -4.937 -4.803 20.305 1.00 53.25 ATOM 160 NE2 HIS 10 -6.777 -5.627 19.600 1.00 54.34 ATOM 161 HE2 HIS 10 -6.491 -6.533 19.348 1.00 39.93 ATOM 162 C HIS 10 -11.058 -2.379 22.109 1.00 12.15 ATOM 163 O HIS 10 -12.254 -2.432 21.821 1.00 64.30 ATOM 164 N MET 11 -10.534 -1.369 22.792 1.00 22.45 ATOM 165 HN MET 11 -9.568 -1.360 22.963 1.00 39.93 ATOM 166 CA MET 11 -11.358 -0.254 23.281 1.00 24.22 ATOM 167 HA MET 11 -12.396 -0.549 23.201 1.00 22.05 ATOM 168 CB MET 11 -11.036 0.029 24.757 1.00 20.22 ATOM 169 HB1 MET 11 -11.313 -0.836 25.345 1.00 39.93 ATOM 170 HB2 MET 11 -11.623 0.875 25.087 1.00 14.42 ATOM 171 CG MET 11 -9.569 0.335 25.028 1.00 44.14 ATOM 172 HG1 MET 11 -9.280 1.198 24.443 1.00 39.93 ATOM 173 HG2 MET 11 -8.975 -0.515 24.728 1.00 22.45 ATOM 174 SD MET 11 -9.246 0.682 26.768 1.00 13.35 ATOM 175 CE MET 11 -9.772 -0.852 27.528 1.00 73.34 ATOM 176 HE1 MET 11 -10.810 -1.033 27.292 1.00 1.11 ATOM 177 HE2 MET 11 -9.654 -0.781 28.600 1.00 73.41 ATOM 178 HE3 MET 11 -9.168 -1.666 27.153 1.00 55.25 ATOM 179 C MET 11 -11.147 1.009 22.429 1.00 42.44 ATOM 180 O MET 11 -11.150 2.130 22.943 1.00 44.23 ATOM 181 N ALA 12 -11.001 0.804 21.117 1.00 13.41 ATOM 182 HN ALA 12 -11.066 -0.111 20.780 1.00 39.93 ATOM 183 CA ALA 12 -10.747 1.891 20.161 1.00 71.22 ATOM 184 HA ALA 12 -9.733 2.233 20.318 1.00 11.32 ATOM 185 CB ALA 12 -10.840 1.358 18.735 1.00 62.42 ATOM 186 HB1 ALA 12 -10.585 2.143 18.037 1.00 21.23 ATOM 187 HB2 ALA 12 -11.847 1.017 18.541 1.00 54.43 ATOM 188 HB3 ALA 12 -10.153 0.533 18.613 1.00 65.11 ATOM 189 C ALA 12 -11.705 3.079 20.347 1.00 51.20 ATOM 190 O ALA 12 -12.924 2.940 20.237 1.00 51.21 ATOM 191 N LYS 13 -11.134 4.250 20.615 1.00 61.24 ATOM 192 HN LYS 13 -10.156 4.301 20.644 1.00 39.93 ATOM 193 CA LYS 13 -11.916 5.467 20.856 1.00 63.33 ATOM 194 HA LYS 13 -12.923 5.286 20.503 1.00 13.34 ATOM 195 CB LYS 13 -11.971 5.766 22.367 1.00 3.21 ATOM 196 HB1 LYS 13 -12.626 5.045 22.839 1.00 39.93 ATOM 197 HB2 LYS 13 -12.379 6.757 22.515 1.00 71.14 ATOM 198 CG LYS 13 -10.609 5.701 23.056 1.00 70.13 ATOM 199 HG1 LYS 13 -9.946 6.415 22.585 1.00 39.93 ATOM 200 HG2 LYS 13 -10.207 4.705 22.938 1.00 24.35 ATOM 201 CD LYS 13 -10.705 6.018 24.547 1.00 61.04 ATOM 202 HD1 LYS 13 -11.410 5.338 25.006 1.00 39.93 ATOM 203 HD2 LYS 13 -11.054 7.034 24.667 1.00 65.21 ATOM 204 CE LYS 13 -9.354 5.876 25.242 1.00 4.24 ATOM 205 HE1 LYS 13 -9.017 4.854 25.144 1.00 39.93 ATOM 206 HE2 LYS 13 -9.473 6.116 26.288 1.00 22.33 ATOM 207 NZ LYS 13 -8.329 6.781 24.656 1.00 52.51 ATOM 208 HZ1 LYS 13 -8.658 7.764 24.701 1.00 64.24 ATOM 209 HZ2 LYS 13 -8.150 6.532 23.664 1.00 72.53 ATOM 210 HZ3 LYS 13 -7.438 6.706 25.188 1.00 42.32 ATOM 211 C LYS 13 -11.335 6.665 20.077 1.00 75.34 ATOM 212 O LYS 13 -10.520 7.430 20.600 1.00 71.31 ATOM 213 N PRO 14 -11.709 6.807 18.788 1.00 45.42 ATOM 214 CA PRO 14 -11.280 7.921 17.944 1.00 34.44 ATOM 215 HA PRO 14 -10.325 8.315 18.260 1.00 45.14 ATOM 216 CB PRO 14 -11.129 7.235 16.582 1.00 55.23 ATOM 217 HB1 PRO 14 -10.129 6.837 16.487 1.00 39.93 ATOM 218 HB2 PRO 14 -11.311 7.950 15.789 1.00 11.44 ATOM 219 CG PRO 14 -12.155 6.133 16.579 1.00 33.40 ATOM 220 HG1 PRO 14 -11.730 5.239 16.142 1.00 39.93 ATOM 221 HG2 PRO 14 -13.020 6.443 16.011 1.00 62.04 ATOM 222 CD PRO 14 -12.549 5.871 18.024 1.00 21.44 ATOM 223 HD1 PRO 14 -12.329 4.847 18.295 1.00 39.93 ATOM 224 HD2 PRO 14 -13.598 6.084 18.178 1.00 21.40 ATOM 225 C PRO 14 -12.314 9.066 17.872 1.00 71.03 ATOM 226 O PRO 14 -13.469 8.858 17.492 1.00 75.51 ATOM 227 N THR 15 -11.894 10.275 18.241 1.00 61.00 ATOM 228 HN THR 15 -10.981 10.378 18.585 1.00 39.93 ATOM 229 CA THR 15 -12.763 11.460 18.151 1.00 24.24 ATOM 230 HA THR 15 -13.771 11.121 17.950 1.00 41.40 ATOM 231 CB THR 15 -12.780 12.263 19.478 1.00 70.22 ATOM 232 HB THR 15 -11.766 12.561 19.711 1.00 24.35 ATOM 233 OG1 THR 15 -13.277 11.442 20.552 1.00 64.34 ATOM 234 HG1 THR 15 -14.163 11.735 20.795 1.00 74.32 ATOM 235 CG2 THR 15 -13.641 13.519 19.357 1.00 73.53 ATOM 236 HG21 THR 15 -13.648 14.046 20.300 1.00 51.12 ATOM 237 HG22 THR 15 -14.652 13.242 19.093 1.00 4.42 ATOM 238 HG23 THR 15 -13.235 14.163 18.589 1.00 22.43 ATOM 239 C THR 15 -12.315 12.387 17.010 1.00 42.04 ATOM 240 O THR 15 -11.235 12.978 17.064 1.00 35.13 ATOM 241 N ALA 16 -13.153 12.512 15.984 1.00 65.31 ATOM 242 HN ALA 16 -14.013 12.037 16.015 1.00 39.93 ATOM 243 CA ALA 16 -12.839 13.341 14.812 1.00 20.44 ATOM 244 HA ALA 16 -12.078 14.055 15.099 1.00 0.31 ATOM 245 CB ALA 16 -12.273 12.470 13.695 1.00 64.23 ATOM 246 HB1 ALA 16 -11.411 11.932 14.059 1.00 71.43 ATOM 247 HB2 ALA 16 -11.981 13.093 12.861 1.00 60.40 ATOM 248 HB3 ALA 16 -13.025 11.765 13.370 1.00 45.02 ATOM 249 C ALA 16 -14.077 14.107 14.321 1.00 55.53 ATOM 250 O ALA 16 -15.175 13.552 14.252 1.00 23.44 ATOM 251 N ARG 17 -13.897 15.378 13.967 1.00 44.50 ATOM 252 HN ARG 17 -12.992 15.757 13.994 1.00 39.93 ATOM 253 CA ARG 17 -15.019 16.222 13.526 1.00 64.13 ATOM 254 HA ARG 17 -15.888 15.583 13.439 1.00 3.53 ATOM 255 CB ARG 17 -15.321 17.302 14.588 1.00 14.45 ATOM 256 HB1 ARG 17 -15.775 16.820 15.444 1.00 39.93 ATOM 257 HB2 ARG 17 -16.032 18.005 14.175 1.00 71.32 ATOM 258 CG ARG 17 -14.101 18.090 15.081 1.00 13.11 ATOM 259 HG1 ARG 17 -13.287 17.399 15.247 1.00 39.93 ATOM 260 HG2 ARG 17 -14.355 18.569 16.016 1.00 4.05 ATOM 261 CD ARG 17 -13.643 19.167 14.097 1.00 70.24 ATOM 262 HD1 ARG 17 -13.404 18.699 13.153 1.00 39.93 ATOM 263 HD2 ARG 17 -12.754 19.642 14.495 1.00 22.11 ATOM 264 NE ARG 17 -14.669 20.189 13.882 1.00 24.44 ATOM 265 HE ARG 17 -15.366 20.280 14.563 1.00 63.20 ATOM 266 CZ ARG 17 -14.701 20.999 12.856 1.00 31.35 ATOM 267 NH1 ARG 17 -13.821 20.908 11.911 1.00 4.54 ATOM 268 HH11 ARG 17 -13.110 20.214 11.957 1.00 61.24 ATOM 269 HH12 ARG 17 -13.856 21.540 11.138 1.00 73.53 ATOM 270 NH2 ARG 17 -15.633 21.888 12.768 1.00 35.15 ATOM 271 HH21 ARG 17 -16.329 21.953 13.481 1.00 1.51 ATOM 272 HH22 ARG 17 -15.651 22.516 11.991 1.00 2.02 ATOM 273 C ARG 17 -14.762 16.852 12.146 1.00 34.34 ATOM 274 O ARG 17 -13.617 17.106 11.766 1.00 50.03 ATOM 275 N GLY 18 -15.838 17.096 11.401 1.00 24.53 ATOM 276 HN GLY 18 -16.726 16.859 11.750 1.00 39.93 ATOM 277 CA GLY 18 -15.716 17.698 10.079 1.00 41.11 ATOM 278 HA1 GLY 18 -14.943 17.178 9.530 1.00 39.93 ATOM 279 HA2 GLY 18 -15.423 18.731 10.194 1.00 35.43 ATOM 280 C GLY 18 -17.011 17.640 9.274 1.00 33.54 ATOM 281 O GLY 18 -17.157 16.804 8.380 1.00 11.24 ATOM 282 N GLU 19 -17.954 18.520 9.599 1.00 64.03 ATOM 283 HN GLU 19 -17.796 19.129 10.352 1.00 39.93 ATOM 284 CA GLU 19 -19.226 18.606 8.869 1.00 10.42 ATOM 285 HA GLU 19 -19.631 17.606 8.795 1.00 64.01 ATOM 286 CB GLU 19 -20.216 19.484 9.646 1.00 53.44 ATOM 287 HB1 GLU 19 -21.088 19.654 9.030 1.00 39.93 ATOM 288 HB2 GLU 19 -19.747 20.435 9.859 1.00 51.53 ATOM 289 CG GLU 19 -20.675 18.868 10.963 1.00 3.45 ATOM 290 HG1 GLU 19 -19.806 18.513 11.501 1.00 39.93 ATOM 291 HG2 GLU 19 -21.325 18.032 10.747 1.00 52.10 ATOM 292 CD GLU 19 -21.429 19.852 11.844 1.00 71.33 ATOM 293 OE1 GLU 19 -22.529 20.298 11.447 1.00 20.34 ATOM 294 OE2 GLU 19 -20.920 20.182 12.938 1.00 1.41 ATOM 295 C GLU 19 -19.024 19.159 7.446 1.00 4.34 ATOM 296 O GLU 19 -18.704 20.334 7.259 1.00 71.44 ATOM 297 N ALA 20 -19.211 18.301 6.447 1.00 32.21 ATOM 298 HN ALA 20 -19.484 17.383 6.655 1.00 39.93 ATOM 299 CA ALA 20 -19.020 18.686 5.045 1.00 11.12 ATOM 300 HA ALA 20 -18.276 19.472 5.012 1.00 51.51 ATOM 301 CB ALA 20 -18.485 17.502 4.250 1.00 2.02 ATOM 302 HB1 ALA 20 -17.576 17.141 4.709 1.00 73.43 ATOM 303 HB2 ALA 20 -18.276 17.812 3.236 1.00 65.33 ATOM 304 HB3 ALA 20 -19.222 16.712 4.239 1.00 33.21 ATOM 305 C ALA 20 -20.320 19.208 4.414 1.00 64.11 ATOM 306 O ALA 20 -21.372 18.570 4.516 1.00 14.12 ATOM 307 N GLY 21 -20.242 20.367 3.761 1.00 54.32 ATOM 308 HN GLY 21 -19.387 20.843 3.735 1.00 39.93 ATOM 309 CA GLY 21 -21.410 20.943 3.098 1.00 5.54 ATOM 310 HA1 GLY 21 -21.318 22.019 3.114 1.00 39.93 ATOM 311 HA2 GLY 21 -22.299 20.663 3.646 1.00 44.12 ATOM 312 C GLY 21 -21.563 20.484 1.646 1.00 21.11 ATOM 313 O GLY 21 -21.464 19.290 1.349 1.00 64.43 ATOM 314 N SER 22 -21.791 21.433 0.741 1.00 33.44 ATOM 315 HN SER 22 -21.832 22.368 1.035 1.00 39.93 ATOM 316 CA SER 22 -21.979 21.128 -0.686 1.00 3.34 ATOM 317 HA SER 22 -22.686 20.314 -0.760 1.00 53.33 ATOM 318 CB SER 22 -22.558 22.351 -1.415 1.00 51.23 ATOM 319 HB1 SER 22 -22.720 22.106 -2.455 1.00 39.93 ATOM 320 HB2 SER 22 -21.861 23.173 -1.346 1.00 75.44 ATOM 321 OG SER 22 -23.795 22.760 -0.849 1.00 4.25 ATOM 322 HG SER 22 -23.702 23.653 -0.489 1.00 22.53 ATOM 323 C SER 22 -20.664 20.700 -1.360 1.00 12.24 ATOM 324 O SER 22 -19.606 20.657 -0.723 1.00 43.24 ATOM 325 N ARG 23 -20.733 20.397 -2.659 1.00 25.41 ATOM 326 HN ARG 23 -21.600 20.473 -3.117 1.00 39.93 ATOM 327 CA ARG 23 -19.558 19.956 -3.426 1.00 33.42 ATOM 328 HA ARG 23 -19.251 18.996 -3.033 1.00 35.34 ATOM 329 CB ARG 23 -19.916 19.790 -4.911 1.00 3.43 ATOM 330 HB1 ARG 23 -19.006 19.616 -5.470 1.00 39.93 ATOM 331 HB2 ARG 23 -20.370 20.706 -5.263 1.00 45.22 ATOM 332 CG ARG 23 -20.879 18.642 -5.202 1.00 64.42 ATOM 333 HG1 ARG 23 -21.815 18.830 -4.695 1.00 39.93 ATOM 334 HG2 ARG 23 -20.449 17.721 -4.834 1.00 52.04 ATOM 335 CD ARG 23 -21.145 18.505 -6.698 1.00 22.33 ATOM 336 HD1 ARG 23 -21.666 19.389 -7.040 1.00 39.93 ATOM 337 HD2 ARG 23 -21.770 17.638 -6.861 1.00 35.34 ATOM 338 NE ARG 23 -19.908 18.347 -7.470 1.00 13.53 ATOM 339 HE ARG 23 -19.193 17.809 -7.072 1.00 64.23 ATOM 340 CZ ARG 23 -19.699 18.883 -8.646 1.00 41.40 ATOM 341 NH1 ARG 23 -20.629 19.564 -9.237 1.00 22.44 ATOM 342 HH11 ARG 23 -21.519 19.676 -8.800 1.00 35.41 ATOM 343 HH12 ARG 23 -20.448 19.981 -10.122 1.00 71.32 ATOM 344 NH2 ARG 23 -18.569 18.705 -9.246 1.00 13.24 ATOM 345 HH21 ARG 23 -17.858 18.155 -8.812 1.00 65.01 ATOM 346 HH22 ARG 23 -18.408 19.114 -10.143 1.00 2.13 ATOM 347 C ARG 23 -18.384 20.936 -3.291 1.00 33.44 ATOM 348 O ARG 23 -17.235 20.522 -3.134 1.00 42.23 ATOM 349 N ASP 24 -18.680 22.232 -3.353 1.00 0.35 ATOM 350 HN ASP 24 -19.618 22.501 -3.463 1.00 39.93 ATOM 351 CA ASP 24 -17.646 23.268 -3.269 1.00 13.42 ATOM 352 HA ASP 24 -16.910 23.047 -4.029 1.00 45.24 ATOM 353 CB ASP 24 -18.255 24.641 -3.568 1.00 73.05 ATOM 354 HB1 ASP 24 -17.499 25.403 -3.438 1.00 39.93 ATOM 355 HB2 ASP 24 -19.070 24.828 -2.881 1.00 34.40 ATOM 356 CG ASP 24 -18.784 24.721 -4.989 1.00 60.42 ATOM 357 OD1 ASP 24 -20.018 24.619 -5.187 1.00 23.35 ATOM 358 OD2 ASP 24 -17.965 24.861 -5.919 1.00 43.24 ATOM 359 C ASP 24 -16.938 23.267 -1.903 1.00 2.34 ATOM 360 O ASP 24 -15.705 23.239 -1.837 1.00 51.54 ATOM 361 N GLU 25 -17.711 23.280 -0.816 1.00 32.21 ATOM 362 HN GLU 25 -18.684 23.344 -0.922 1.00 39.93 ATOM 363 CA GLU 25 -17.141 23.224 0.537 1.00 60.44 ATOM 364 HA GLU 25 -16.547 24.118 0.673 1.00 53.14 ATOM 365 CB GLU 25 -18.249 23.202 1.608 1.00 32.44 ATOM 366 HB1 GLU 25 -17.793 23.016 2.570 1.00 39.93 ATOM 367 HB2 GLU 25 -18.929 22.393 1.384 1.00 12.14 ATOM 368 CG GLU 25 -19.063 24.496 1.710 1.00 50.24 ATOM 369 HG1 GLU 25 -18.384 25.336 1.658 1.00 39.93 ATOM 370 HG2 GLU 25 -19.569 24.511 2.667 1.00 20.22 ATOM 371 CD GLU 25 -20.108 24.644 0.613 1.00 52.01 ATOM 372 OE1 GLU 25 -21.262 24.231 0.834 1.00 54.43 ATOM 373 OE2 GLU 25 -19.781 25.170 -0.473 1.00 22.14 ATOM 374 C GLU 25 -16.222 22.002 0.714 1.00 33.13 ATOM 375 O GLU 25 -15.251 22.051 1.472 1.00 43.10 ATOM 376 N ARG 26 -16.523 20.914 -0.001 1.00 33.35 ATOM 377 HN ARG 26 -17.325 20.926 -0.568 1.00 39.93 ATOM 378 CA ARG 26 -15.699 19.697 0.050 1.00 10.23 ATOM 379 HA ARG 26 -15.691 19.362 1.078 1.00 33.41 ATOM 380 CB ARG 26 -16.314 18.587 -0.817 1.00 43.23 ATOM 381 HB1 ARG 26 -15.621 17.758 -0.867 1.00 39.93 ATOM 382 HB2 ARG 26 -16.472 18.972 -1.815 1.00 50.12 ATOM 383 CG ARG 26 -17.649 18.062 -0.291 1.00 71.02 ATOM 384 HG1 ARG 26 -18.346 18.886 -0.220 1.00 39.93 ATOM 385 HG2 ARG 26 -17.493 17.639 0.690 1.00 64.23 ATOM 386 CD ARG 26 -18.242 16.986 -1.200 1.00 65.45 ATOM 387 HD1 ARG 26 -18.479 17.432 -2.156 1.00 39.93 ATOM 388 HD2 ARG 26 -19.150 16.611 -0.746 1.00 42.51 ATOM 389 NE ARG 26 -17.319 15.871 -1.413 1.00 14.40 ATOM 390 HE ARG 26 -16.361 16.060 -1.356 1.00 2.31 ATOM 391 CZ ARG 26 -17.685 14.649 -1.694 1.00 11.23 ATOM 392 NH1 ARG 26 -18.937 14.325 -1.746 1.00 1.25 ATOM 393 HH11 ARG 26 -19.641 15.010 -1.569 1.00 22.30 ATOM 394 HH12 ARG 26 -19.196 13.385 -1.959 1.00 75.10 ATOM 395 NH2 ARG 26 -16.786 13.746 -1.907 1.00 31.30 ATOM 396 HH21 ARG 26 -15.820 13.987 -1.855 1.00 72.33 ATOM 397 HH22 ARG 26 -17.060 12.808 -2.118 1.00 4.22 ATOM 398 C ARG 26 -14.242 19.972 -0.375 1.00 41.12 ATOM 399 O ARG 26 -13.313 19.338 0.129 1.00 53.24 ATOM 400 N ARG 27 -14.041 20.925 -1.291 1.00 62.40 ATOM 401 HN ARG 27 -14.816 21.361 -1.705 1.00 39.93 ATOM 402 CA ARG 27 -12.682 21.341 -1.674 1.00 1.12 ATOM 403 HA ARG 27 -12.087 20.445 -1.799 1.00 15.02 ATOM 404 CB ARG 27 -12.673 22.132 -2.995 1.00 64.23 ATOM 405 HB1 ARG 27 -11.673 22.507 -3.164 1.00 39.93 ATOM 406 HB2 ARG 27 -13.346 22.974 -2.900 1.00 53.34 ATOM 407 CG ARG 27 -13.091 21.325 -4.226 1.00 21.15 ATOM 408 HG1 ARG 27 -12.704 20.320 -4.133 1.00 39.93 ATOM 409 HG2 ARG 27 -12.670 21.790 -5.106 1.00 10.11 ATOM 410 CD ARG 27 -14.604 21.260 -4.387 1.00 24.24 ATOM 411 HD1 ARG 27 -14.978 22.257 -4.577 1.00 39.93 ATOM 412 HD2 ARG 27 -15.037 20.886 -3.469 1.00 62.52 ATOM 413 NE ARG 27 -15.003 20.383 -5.485 1.00 4.45 ATOM 414 HE ARG 27 -14.659 19.465 -5.478 1.00 62.21 ATOM 415 CZ ARG 27 -15.801 20.731 -6.458 1.00 54.51 ATOM 416 NH1 ARG 27 -16.261 21.942 -6.549 1.00 40.23 ATOM 417 HH11 ARG 27 -15.998 22.629 -5.875 1.00 62.20 ATOM 418 HH12 ARG 27 -16.879 22.185 -7.297 1.00 12.53 ATOM 419 NH2 ARG 27 -16.121 19.862 -7.358 1.00 64.51 ATOM 420 HH21 ARG 27 -15.755 18.934 -7.306 1.00 32.01 ATOM 421 HH22 ARG 27 -16.727 20.123 -8.105 1.00 11.44 ATOM 422 C ARG 27 -12.051 22.196 -0.566 1.00 23.14 ATOM 423 O ARG 27 -10.869 22.047 -0.242 1.00 71.31 ATOM 424 N ALA 28 -12.858 23.081 0.018 1.00 32.52 ATOM 425 HN ALA 28 -13.789 23.143 -0.285 1.00 39.93 ATOM 426 CA ALA 28 -12.400 23.967 1.094 1.00 53.51 ATOM 427 HA ALA 28 -11.618 24.598 0.693 1.00 24.14 ATOM 428 CB ALA 28 -13.542 24.871 1.553 1.00 4.25 ATOM 429 HB1 ALA 28 -13.173 25.582 2.281 1.00 32.11 ATOM 430 HB2 ALA 28 -14.321 24.271 2.001 1.00 41.01 ATOM 431 HB3 ALA 28 -13.944 25.405 0.703 1.00 31.42 ATOM 432 C ALA 28 -11.833 23.171 2.281 1.00 43.25 ATOM 433 O ALA 28 -10.755 23.474 2.788 1.00 54.12 ATOM 434 N LEU 29 -12.558 22.143 2.713 1.00 44.51 ATOM 435 HN LEU 29 -13.417 21.951 2.279 1.00 39.93 ATOM 436 CA LEU 29 -12.110 21.300 3.833 1.00 23.52 ATOM 437 HA LEU 29 -11.700 21.963 4.584 1.00 42.22 ATOM 438 CB LEU 29 -13.309 20.557 4.451 1.00 12.03 ATOM 439 HB1 LEU 29 -13.947 21.294 4.921 1.00 39.93 ATOM 440 HB2 LEU 29 -12.935 19.897 5.221 1.00 1.10 ATOM 441 CG LEU 29 -14.174 19.723 3.482 1.00 20.04 ATOM 442 HG LEU 29 -14.223 20.236 2.531 1.00 10.22 ATOM 443 CD1 LEU 29 -13.562 18.345 3.228 1.00 74.13 ATOM 444 HD11 LEU 29 -14.206 17.778 2.571 1.00 71.40 ATOM 445 HD12 LEU 29 -13.452 17.817 4.165 1.00 13.40 ATOM 446 HD13 LEU 29 -12.592 18.460 2.766 1.00 51.12 ATOM 447 CD2 LEU 29 -15.600 19.593 4.012 1.00 13.24 ATOM 448 HD21 LEU 29 -16.049 20.573 4.078 1.00 3.13 ATOM 449 HD22 LEU 29 -15.584 19.139 4.992 1.00 23.24 ATOM 450 HD23 LEU 29 -16.182 18.978 3.340 1.00 64.43 ATOM 451 C LEU 29 -10.997 20.322 3.413 1.00 54.22 ATOM 452 O LEU 29 -10.211 19.865 4.248 1.00 1.23 ATOM 453 N ALA 30 -10.928 20.010 2.117 1.00 0.44 ATOM 454 HN ALA 30 -11.620 20.344 1.509 1.00 39.93 ATOM 455 CA ALA 30 -9.848 19.171 1.582 1.00 64.22 ATOM 456 HA ALA 30 -9.818 18.259 2.163 1.00 21.25 ATOM 457 CB ALA 30 -10.125 18.798 0.128 1.00 23.54 ATOM 458 HB1 ALA 30 -11.076 18.288 0.061 1.00 70.44 ATOM 459 HB2 ALA 30 -9.342 18.147 -0.235 1.00 63.10 ATOM 460 HB3 ALA 30 -10.157 19.694 -0.475 1.00 72.21 ATOM 461 C ALA 30 -8.492 19.882 1.704 1.00 61.43 ATOM 462 O ALA 30 -7.492 19.278 2.096 1.00 14.43 ATOM 463 N MET 31 -8.471 21.172 1.367 1.00 41.31 ATOM 464 HN MET 31 -9.287 21.578 0.999 1.00 39.93 ATOM 465 CA MET 31 -7.267 22.005 1.514 1.00 22.52 ATOM 466 HA MET 31 -6.404 21.357 1.456 1.00 33.43 ATOM 467 CB MET 31 -7.196 23.025 0.371 1.00 75.55 ATOM 468 HB1 MET 31 -6.355 23.682 0.539 1.00 39.93 ATOM 469 HB2 MET 31 -8.104 23.611 0.369 1.00 73.23 ATOM 470 CG MET 31 -7.036 22.386 -1.003 1.00 11.11 ATOM 471 HG1 MET 31 -7.099 23.158 -1.757 1.00 39.93 ATOM 472 HG2 MET 31 -7.834 21.674 -1.151 1.00 2.35 ATOM 473 SD MET 31 -5.462 21.527 -1.189 1.00 50.21 ATOM 474 CE MET 31 -4.314 22.895 -1.035 1.00 14.33 ATOM 475 HE1 MET 31 -4.519 23.626 -1.804 1.00 71.45 ATOM 476 HE2 MET 31 -3.303 22.531 -1.144 1.00 21.32 ATOM 477 HE3 MET 31 -4.428 23.355 -0.064 1.00 44.43 ATOM 478 C MET 31 -7.247 22.730 2.874 1.00 54.20 ATOM 479 O MET 31 -6.290 23.436 3.196 1.00 24.43 ATOM 480 N LYS 32 -8.315 22.548 3.655 1.00 21.03 ATOM 481 HN LYS 32 -9.039 21.979 3.325 1.00 39.93 ATOM 482 CA LYS 32 -8.456 23.165 4.984 1.00 51.23 ATOM 483 HA LYS 32 -9.421 22.854 5.364 1.00 41.43 ATOM 484 CB LYS 32 -7.379 22.636 5.948 1.00 11.23 ATOM 485 HB1 LYS 32 -7.372 23.247 6.841 1.00 39.93 ATOM 486 HB2 LYS 32 -6.415 22.704 5.466 1.00 12.24 ATOM 487 CG LYS 32 -7.617 21.184 6.360 1.00 10.34 ATOM 488 HG1 LYS 32 -7.717 20.582 5.466 1.00 39.93 ATOM 489 HG2 LYS 32 -8.534 21.130 6.929 1.00 51.44 ATOM 490 CD LYS 32 -6.480 20.620 7.211 1.00 70.01 ATOM 491 HD1 LYS 32 -6.783 19.659 7.606 1.00 39.93 ATOM 492 HD2 LYS 32 -6.287 21.298 8.031 1.00 53.22 ATOM 493 CE LYS 32 -5.195 20.441 6.407 1.00 32.01 ATOM 494 HE1 LYS 32 -4.805 21.416 6.151 1.00 39.93 ATOM 495 HE2 LYS 32 -5.421 19.895 5.502 1.00 73.33 ATOM 496 NZ LYS 32 -4.166 19.694 7.177 1.00 62.51 ATOM 497 HZ1 LYS 32 -3.891 20.230 8.024 1.00 11.15 ATOM 498 HZ2 LYS 32 -3.323 19.535 6.590 1.00 34.31 ATOM 499 HZ3 LYS 32 -4.543 18.772 7.474 1.00 21.02 ATOM 500 C LYS 32 -8.461 24.704 4.919 1.00 63.40 ATOM 501 O LYS 32 -7.438 25.363 5.122 1.00 30.13 ATOM 502 N ILE 33 -9.633 25.257 4.607 1.00 14.32 ATOM 503 HN ILE 33 -10.384 24.664 4.394 1.00 39.93 ATOM 504 CA ILE 33 -9.847 26.708 4.548 1.00 42.30 ATOM 505 HA ILE 33 -8.879 27.189 4.482 1.00 4.13 ATOM 506 CB ILE 33 -10.671 27.083 3.284 1.00 74.40 ATOM 507 HB ILE 33 -11.614 26.555 3.335 1.00 13.30 ATOM 508 CG1 ILE 33 -9.932 26.646 2.003 1.00 71.35 ATOM 509 HG11 ILE 33 -10.542 26.886 1.144 1.00 39.93 ATOM 510 HG12 ILE 33 -9.775 25.578 2.035 1.00 3.30 ATOM 511 CG2 ILE 33 -10.975 28.578 3.242 1.00 61.51 ATOM 512 HG21 ILE 33 -10.050 29.136 3.268 1.00 11.13 ATOM 513 HG22 ILE 33 -11.581 28.849 4.094 1.00 11.41 ATOM 514 HG23 ILE 33 -11.511 28.813 2.333 1.00 61.53 ATOM 515 CD1 ILE 33 -8.578 27.303 1.808 1.00 31.41 ATOM 516 HD11 ILE 33 -8.149 26.973 0.874 1.00 1.34 ATOM 517 HD12 ILE 33 -7.922 27.027 2.620 1.00 50.34 ATOM 518 HD13 ILE 33 -8.695 28.376 1.790 1.00 22.30 ATOM 519 C ILE 33 -10.577 27.208 5.817 1.00 63.44 ATOM 520 O ILE 33 -11.614 26.662 6.202 1.00 25.43 ATOM 521 N PRO 34 -10.042 28.250 6.493 1.00 52.33 ATOM 522 CA PRO 34 -10.602 28.754 7.767 1.00 75.03 ATOM 523 HA PRO 34 -10.910 27.942 8.408 1.00 65.45 ATOM 524 CB PRO 34 -9.394 29.459 8.390 1.00 53.52 ATOM 525 HB1 PRO 34 -8.803 28.745 8.947 1.00 39.93 ATOM 526 HB2 PRO 34 -9.727 30.250 9.051 1.00 3.22 ATOM 527 CG PRO 34 -8.637 29.997 7.219 1.00 32.24 ATOM 528 HG1 PRO 34 -7.588 30.085 7.467 1.00 39.93 ATOM 529 HG2 PRO 34 -9.036 30.962 6.937 1.00 11.22 ATOM 530 CD PRO 34 -8.831 29.002 6.096 1.00 75.50 ATOM 531 HD1 PRO 34 -7.977 28.342 6.023 1.00 39.93 ATOM 532 HD2 PRO 34 -8.989 29.517 5.159 1.00 55.41 ATOM 533 C PRO 34 -11.778 29.742 7.611 1.00 55.14 ATOM 534 O PRO 34 -12.086 30.497 8.540 1.00 62.21 ATOM 535 N PHE 35 -12.445 29.729 6.457 1.00 1.40 ATOM 536 HN PHE 35 -12.167 29.108 5.755 1.00 39.93 ATOM 537 CA PHE 35 -13.598 30.612 6.215 1.00 21.44 ATOM 538 HA PHE 35 -14.114 30.728 7.158 1.00 60.22 ATOM 539 CB PHE 35 -13.131 32.004 5.741 1.00 34.51 ATOM 540 HB1 PHE 35 -12.642 32.506 6.565 1.00 39.93 ATOM 541 HB2 PHE 35 -13.997 32.584 5.450 1.00 74.40 ATOM 542 CG PHE 35 -12.174 31.992 4.573 1.00 34.44 ATOM 543 CD1 PHE 35 -10.804 31.952 4.786 1.00 71.44 ATOM 544 HD1 PHE 35 -10.427 31.917 5.799 1.00 44.14 ATOM 545 CD2 PHE 35 -12.640 32.034 3.266 1.00 12.14 ATOM 546 HD2 PHE 35 -13.706 32.062 3.081 1.00 11.31 ATOM 547 CE1 PHE 35 -9.920 31.960 3.725 1.00 62.12 ATOM 548 HE1 PHE 35 -8.857 31.929 3.907 1.00 52.32 ATOM 549 CE2 PHE 35 -11.759 32.038 2.201 1.00 21.13 ATOM 550 HE2 PHE 35 -12.135 32.071 1.189 1.00 51.23 ATOM 551 CZ PHE 35 -10.397 32.001 2.431 1.00 42.00 ATOM 552 HZ PHE 35 -9.707 32.007 1.597 1.00 5.11 ATOM 553 C PHE 35 -14.590 29.987 5.212 1.00 61.31 ATOM 554 O PHE 35 -14.201 29.189 4.358 1.00 70.22 ATOM 555 N PRO 36 -15.891 30.346 5.311 1.00 60.02 ATOM 556 CA PRO 36 -16.957 29.732 4.496 1.00 32.45 ATOM 557 HA PRO 36 -16.894 28.653 4.519 1.00 62.33 ATOM 558 CB PRO 36 -18.233 30.180 5.217 1.00 12.14 ATOM 559 HB1 PRO 36 -18.495 29.458 5.979 1.00 39.93 ATOM 560 HB2 PRO 36 -19.045 30.274 4.509 1.00 43.03 ATOM 561 CG PRO 36 -17.874 31.495 5.815 1.00 63.55 ATOM 562 HG1 PRO 36 -18.494 31.688 6.679 1.00 39.93 ATOM 563 HG2 PRO 36 -17.997 32.281 5.081 1.00 41.21 ATOM 564 CD PRO 36 -16.428 31.378 6.224 1.00 43.12 ATOM 565 HD1 PRO 36 -16.350 31.058 7.253 1.00 39.93 ATOM 566 HD2 PRO 36 -15.918 32.321 6.082 1.00 30.45 ATOM 567 C PRO 36 -16.976 30.207 3.033 1.00 20.32 ATOM 568 O PRO 36 -16.534 31.314 2.711 1.00 54.43 ATOM 569 N THR 37 -17.526 29.364 2.159 1.00 50.23 ATOM 570 HN THR 37 -17.895 28.516 2.490 1.00 39.93 ATOM 571 CA THR 37 -17.613 29.659 0.724 1.00 24.54 ATOM 572 HA THR 37 -16.616 29.893 0.374 1.00 5.54 ATOM 573 CB THR 37 -18.126 28.436 -0.073 1.00 52.42 ATOM 574 HB THR 37 -18.232 28.719 -1.113 1.00 13.52 ATOM 575 OG1 THR 37 -19.408 28.021 0.429 1.00 44.24 ATOM 576 HG1 THR 37 -19.675 27.201 -0.013 1.00 41.24 ATOM 577 CG2 THR 37 -17.137 27.274 0.019 1.00 12.15 ATOM 578 HG21 THR 37 -17.487 26.451 -0.588 1.00 22.51 ATOM 579 HG22 THR 37 -17.051 26.951 1.047 1.00 2.51 ATOM 580 HG23 THR 37 -16.167 27.596 -0.336 1.00 40.31 ATOM 581 C THR 37 -18.524 30.860 0.443 1.00 73.04 ATOM 582 O THR 37 -18.268 31.642 -0.473 1.00 41.33 ATOM 583 N ASP 38 -19.581 31.010 1.242 1.00 24.25 ATOM 584 HN ASP 38 -19.759 30.329 1.925 1.00 39.93 ATOM 585 CA ASP 38 -20.499 32.150 1.112 1.00 12.11 ATOM 586 HA ASP 38 -20.976 32.079 0.144 1.00 34.35 ATOM 587 CB ASP 38 -21.572 32.090 2.200 1.00 22.22 ATOM 588 HB1 ASP 38 -22.261 32.912 2.065 1.00 39.93 ATOM 589 HB2 ASP 38 -21.101 32.179 3.170 1.00 35.24 ATOM 590 CG ASP 38 -22.355 30.794 2.162 1.00 74.35 ATOM 591 OD1 ASP 38 -22.002 29.860 2.911 1.00 43.00 ATOM 592 OD2 ASP 38 -23.317 30.693 1.375 1.00 52.35 ATOM 593 C ASP 38 -19.746 33.489 1.196 1.00 62.43 ATOM 594 O ASP 38 -19.969 34.396 0.388 1.00 14.12 ATOM 595 N LYS 39 -18.847 33.596 2.173 1.00 14.50 ATOM 596 HN LYS 39 -18.737 32.850 2.796 1.00 39.93 ATOM 597 CA LYS 39 -18.024 34.798 2.349 1.00 44.52 ATOM 598 HA LYS 39 -18.692 35.636 2.502 1.00 42.11 ATOM 599 CB LYS 39 -17.131 34.639 3.590 1.00 63.54 ATOM 600 HB1 LYS 39 -16.488 33.782 3.446 1.00 39.93 ATOM 601 HB2 LYS 39 -17.762 34.460 4.450 1.00 73.15 ATOM 602 CG LYS 39 -16.254 35.852 3.887 1.00 54.04 ATOM 603 HG1 LYS 39 -16.884 36.728 3.966 1.00 39.93 ATOM 604 HG2 LYS 39 -15.556 35.985 3.073 1.00 75.10 ATOM 605 CD LYS 39 -15.466 35.687 5.187 1.00 70.52 ATOM 606 HD1 LYS 39 -14.800 36.531 5.301 1.00 39.93 ATOM 607 HD2 LYS 39 -14.885 34.777 5.131 1.00 61.14 ATOM 608 CE LYS 39 -16.384 35.609 6.404 1.00 41.14 ATOM 609 HE1 LYS 39 -16.998 34.723 6.322 1.00 39.93 ATOM 610 HE2 LYS 39 -17.019 36.483 6.420 1.00 32.54 ATOM 611 NZ LYS 39 -15.617 35.547 7.678 1.00 34.02 ATOM 612 HZ1 LYS 39 -15.031 34.689 7.704 1.00 51.14 ATOM 613 HZ2 LYS 39 -16.267 35.527 8.489 1.00 3.02 ATOM 614 HZ3 LYS 39 -14.998 36.379 7.764 1.00 21.55 ATOM 615 C LYS 39 -17.168 35.070 1.098 1.00 31.53 ATOM 616 O LYS 39 -17.022 36.213 0.666 1.00 61.23 ATOM 617 N ILE 40 -16.630 34.002 0.510 1.00 64.21 ATOM 618 HN ILE 40 -16.766 33.120 0.917 1.00 39.93 ATOM 619 CA ILE 40 -15.838 34.100 -0.727 1.00 74.41 ATOM 620 HA ILE 40 -14.981 34.730 -0.528 1.00 3.32 ATOM 621 CB ILE 40 -15.331 32.699 -1.164 1.00 61.11 ATOM 622 HB ILE 40 -16.196 32.082 -1.371 1.00 51.40 ATOM 623 CG1 ILE 40 -14.515 32.044 -0.035 1.00 51.12 ATOM 624 HG11 ILE 40 -15.117 32.011 0.863 1.00 39.93 ATOM 625 HG12 ILE 40 -13.630 32.636 0.156 1.00 12.05 ATOM 626 CG2 ILE 40 -14.506 32.791 -2.450 1.00 52.53 ATOM 627 HG21 ILE 40 -14.143 31.809 -2.719 1.00 31.12 ATOM 628 HG22 ILE 40 -13.667 33.454 -2.296 1.00 21.23 ATOM 629 HG23 ILE 40 -15.124 33.176 -3.249 1.00 1.35 ATOM 630 CD1 ILE 40 -14.064 30.629 -0.342 1.00 24.41 ATOM 631 HD11 ILE 40 -13.511 30.238 0.499 1.00 32.42 ATOM 632 HD12 ILE 40 -13.432 30.632 -1.218 1.00 22.00 ATOM 633 HD13 ILE 40 -14.929 30.005 -0.524 1.00 12.24 ATOM 634 C ILE 40 -16.658 34.714 -1.881 1.00 44.24 ATOM 635 O ILE 40 -16.116 35.396 -2.757 1.00 25.30 ATOM 636 N VAL 41 -17.968 34.467 -1.869 1.00 35.11 ATOM 637 HN VAL 41 -18.346 33.962 -1.117 1.00 39.93 ATOM 638 CA VAL 41 -18.860 34.911 -2.946 1.00 13.10 ATOM 639 HA VAL 41 -18.297 34.891 -3.870 1.00 11.21 ATOM 640 CB VAL 41 -20.058 33.937 -3.098 1.00 75.51 ATOM 641 HB VAL 41 -20.615 33.942 -2.171 1.00 12.24 ATOM 642 CG1 VAL 41 -21.004 34.386 -4.214 1.00 12.51 ATOM 643 HG11 VAL 41 -20.469 34.420 -5.152 1.00 65.35 ATOM 644 HG12 VAL 41 -21.391 35.369 -3.987 1.00 4.12 ATOM 645 HG13 VAL 41 -21.825 33.688 -4.294 1.00 12.44 ATOM 646 CG2 VAL 41 -19.562 32.510 -3.342 1.00 42.42 ATOM 647 HG21 VAL 41 -20.407 31.841 -3.426 1.00 14.03 ATOM 648 HG22 VAL 41 -18.938 32.197 -2.516 1.00 4.21 ATOM 649 HG23 VAL 41 -18.987 32.478 -4.257 1.00 44.32 ATOM 650 C VAL 41 -19.396 36.339 -2.722 1.00 11.12 ATOM 651 O VAL 41 -19.280 37.197 -3.597 1.00 24.24 ATOM 652 N ASN 42 -19.977 36.588 -1.546 1.00 13.24 ATOM 653 HN ASN 42 -19.945 35.902 -0.846 1.00 39.93 ATOM 654 CA ASN 42 -20.665 37.860 -1.275 1.00 23.13 ATOM 655 HA ASN 42 -21.305 38.057 -2.125 1.00 44.24 ATOM 656 CB ASN 42 -21.551 37.743 -0.030 1.00 1.22 ATOM 657 HB1 ASN 42 -21.978 38.711 0.197 1.00 39.93 ATOM 658 HB2 ASN 42 -20.948 37.418 0.807 1.00 3.33 ATOM 659 CG ASN 42 -22.684 36.751 -0.221 1.00 44.43 ATOM 660 OD1 ASN 42 -23.730 37.083 -0.772 1.00 52.41 ATOM 661 ND2 ASN 42 -22.498 35.533 0.247 1.00 74.25 ATOM 662 HD21 ASN 42 -21.648 35.329 0.688 1.00 51.25 ATOM 663 HD22 ASN 42 -23.226 34.887 0.149 1.00 24.42 ATOM 664 C ASN 42 -19.704 39.055 -1.125 1.00 24.20 ATOM 665 O ASN 42 -20.116 40.206 -1.302 1.00 74.41 ATOM 666 N LEU 43 -18.438 38.801 -0.795 1.00 33.14 ATOM 667 HN LEU 43 -18.163 37.876 -0.617 1.00 39.93 ATOM 668 CA LEU 43 -17.447 39.884 -0.697 1.00 32.34 ATOM 669 HA LEU 43 -17.886 40.671 -0.100 1.00 55.44 ATOM 670 CB LEU 43 -16.159 39.396 -0.008 1.00 5.44 ATOM 671 HB1 LEU 43 -15.396 40.151 -0.142 1.00 39.93 ATOM 672 HB2 LEU 43 -15.834 38.494 -0.505 1.00 45.24 ATOM 673 CG LEU 43 -16.275 39.100 1.495 1.00 51.13 ATOM 674 HG LEU 43 -16.986 38.300 1.642 1.00 34.35 ATOM 675 CD1 LEU 43 -14.931 38.635 2.057 1.00 24.55 ATOM 676 HD11 LEU 43 -15.029 38.449 3.116 1.00 11.41 ATOM 677 HD12 LEU 43 -14.184 39.399 1.893 1.00 13.21 ATOM 678 HD13 LEU 43 -14.630 37.724 1.560 1.00 33.42 ATOM 679 CD2 LEU 43 -16.782 40.326 2.255 1.00 21.33 ATOM 680 HD21 LEU 43 -16.865 40.090 3.307 1.00 3.34 ATOM 681 HD22 LEU 43 -17.752 40.609 1.874 1.00 32.13 ATOM 682 HD23 LEU 43 -16.091 41.146 2.125 1.00 55.53 ATOM 683 C LEU 43 -17.102 40.451 -2.084 1.00 41.41 ATOM 684 O LEU 43 -16.978 39.701 -3.055 1.00 63.41 ATOM 685 N PRO 44 -16.955 41.787 -2.207 1.00 2.32 ATOM 686 CA PRO 44 -16.518 42.412 -3.466 1.00 13.34 ATOM 687 HA PRO 44 -17.152 42.116 -4.291 1.00 31.50 ATOM 688 CB PRO 44 -16.685 43.916 -3.199 1.00 71.43 ATOM 689 HB1 PRO 44 -17.639 44.249 -3.583 1.00 39.93 ATOM 690 HB2 PRO 44 -15.888 44.467 -3.686 1.00 14.42 ATOM 691 CG PRO 44 -16.618 44.052 -1.715 1.00 62.31 ATOM 692 HG1 PRO 44 -17.191 44.912 -1.396 1.00 39.93 ATOM 693 HG2 PRO 44 -15.587 44.155 -1.403 1.00 1.34 ATOM 694 CD PRO 44 -17.211 42.786 -1.150 1.00 23.10 ATOM 695 HD1 PRO 44 -18.272 42.904 -0.981 1.00 39.93 ATOM 696 HD2 PRO 44 -16.711 42.513 -0.231 1.00 51.55 ATOM 697 C PRO 44 -15.056 42.067 -3.806 1.00 5.13 ATOM 698 O PRO 44 -14.288 41.671 -2.928 1.00 31.15 ATOM 699 N VAL 45 -14.676 42.229 -5.078 1.00 74.34 ATOM 700 HN VAL 45 -15.325 42.587 -5.723 1.00 39.93 ATOM 701 CA VAL 45 -13.326 41.869 -5.549 1.00 11.13 ATOM 702 HA VAL 45 -13.268 40.788 -5.555 1.00 55.12 ATOM 703 CB VAL 45 -13.086 42.364 -7.000 1.00 1.11 ATOM 704 HB VAL 45 -13.877 41.968 -7.623 1.00 20.25 ATOM 705 CG1 VAL 45 -13.152 43.888 -7.081 1.00 30.14 ATOM 706 HG11 VAL 45 -13.025 44.202 -8.108 1.00 51.22 ATOM 707 HG12 VAL 45 -12.367 44.317 -6.475 1.00 53.21 ATOM 708 HG13 VAL 45 -14.111 44.227 -6.718 1.00 73.54 ATOM 709 CG2 VAL 45 -11.755 41.844 -7.547 1.00 73.33 ATOM 710 HG21 VAL 45 -11.746 40.763 -7.514 1.00 31.45 ATOM 711 HG22 VAL 45 -10.942 42.230 -6.950 1.00 25.02 ATOM 712 HG23 VAL 45 -11.634 42.171 -8.570 1.00 74.32 ATOM 713 C VAL 45 -12.213 42.411 -4.626 1.00 12.53 ATOM 714 O VAL 45 -11.211 41.736 -4.388 1.00 23.20 ATOM 715 N ASP 46 -12.404 43.623 -4.100 1.00 44.33 ATOM 716 HN ASP 46 -13.201 44.130 -4.356 1.00 39.93 ATOM 717 CA ASP 46 -11.449 44.221 -3.161 1.00 75.44 ATOM 718 HA ASP 46 -10.492 44.292 -3.662 1.00 24.53 ATOM 719 CB ASP 46 -11.909 45.628 -2.771 1.00 10.33 ATOM 720 HB1 ASP 46 -11.189 46.060 -2.087 1.00 39.93 ATOM 721 HB2 ASP 46 -12.870 45.564 -2.278 1.00 71.52 ATOM 722 CG ASP 46 -12.041 46.542 -3.973 1.00 51.35 ATOM 723 OD1 ASP 46 -13.167 46.698 -4.492 1.00 24.14 ATOM 724 OD2 ASP 46 -11.017 47.101 -4.412 1.00 21.54 ATOM 725 C ASP 46 -11.285 43.356 -1.900 1.00 13.15 ATOM 726 O ASP 46 -10.199 42.844 -1.622 1.00 35.42 ATOM 727 N ASP 47 -12.376 43.187 -1.153 1.00 43.03 ATOM 728 HN ASP 47 -13.206 43.637 -1.416 1.00 39.93 ATOM 729 CA ASP 47 -12.373 42.362 0.058 1.00 61.41 ATOM 730 HA ASP 47 -11.646 42.782 0.740 1.00 11.33 ATOM 731 CB ASP 47 -13.752 42.408 0.722 1.00 62.15 ATOM 732 HB1 ASP 47 -13.764 41.731 1.566 1.00 39.93 ATOM 733 HB2 ASP 47 -14.502 42.096 0.007 1.00 35.25 ATOM 734 CG ASP 47 -14.106 43.802 1.212 1.00 5.50 ATOM 735 OD1 ASP 47 -14.194 44.007 2.443 1.00 52.14 ATOM 736 OD2 ASP 47 -14.286 44.702 0.369 1.00 52.04 ATOM 737 C ASP 47 -11.976 40.906 -0.245 1.00 53.23 ATOM 738 O ASP 47 -11.468 40.204 0.628 1.00 44.13 ATOM 739 N PHE 48 -12.212 40.462 -1.480 1.00 52.24 ATOM 740 HN PHE 48 -12.688 41.045 -2.110 1.00 39.93 ATOM 741 CA PHE 48 -11.790 39.128 -1.924 1.00 51.23 ATOM 742 HA PHE 48 -12.142 38.410 -1.195 1.00 34.45 ATOM 743 CB PHE 48 -12.414 38.800 -3.288 1.00 74.42 ATOM 744 HB1 PHE 48 -12.156 39.583 -3.989 1.00 39.93 ATOM 745 HB2 PHE 48 -13.489 38.760 -3.186 1.00 14.41 ATOM 746 CG PHE 48 -11.952 37.485 -3.867 1.00 70.40 ATOM 747 CD1 PHE 48 -11.046 37.454 -4.920 1.00 62.34 ATOM 748 HD1 PHE 48 -10.677 38.383 -5.329 1.00 53.54 ATOM 749 CD2 PHE 48 -12.413 36.282 -3.353 1.00 34.00 ATOM 750 HD2 PHE 48 -13.118 36.289 -2.534 1.00 2.14 ATOM 751 CE1 PHE 48 -10.615 36.253 -5.448 1.00 60.31 ATOM 752 HE1 PHE 48 -9.910 36.243 -6.265 1.00 11.41 ATOM 753 CE2 PHE 48 -11.985 35.079 -3.880 1.00 52.40 ATOM 754 HE2 PHE 48 -12.354 34.149 -3.472 1.00 2.44 ATOM 755 CZ PHE 48 -11.084 35.065 -4.926 1.00 23.20 ATOM 756 HZ PHE 48 -10.748 34.124 -5.339 1.00 1.11 ATOM 757 C PHE 48 -10.255 39.036 -2.002 1.00 54.12 ATOM 758 O PHE 48 -9.648 38.110 -1.461 1.00 72.11 ATOM 759 N ASN 49 -9.631 40.003 -2.673 1.00 53.31 ATOM 760 HN ASN 49 -10.165 40.688 -3.132 1.00 39.93 ATOM 761 CA ASN 49 -8.166 40.070 -2.744 1.00 22.13 ATOM 762 HA ASN 49 -7.812 39.143 -3.174 1.00 70.15 ATOM 763 CB ASN 49 -7.736 41.235 -3.643 1.00 44.42 ATOM 764 HB1 ASN 49 -6.660 41.336 -3.606 1.00 39.93 ATOM 765 HB2 ASN 49 -8.189 42.146 -3.280 1.00 1.33 ATOM 766 CG ASN 49 -8.150 41.043 -5.093 1.00 2.53 ATOM 767 OD1 ASN 49 -8.181 39.929 -5.605 1.00 1.44 ATOM 768 ND2 ASN 49 -8.471 42.128 -5.766 1.00 55.11 ATOM 769 HD21 ASN 49 -8.422 42.989 -5.304 1.00 5.13 ATOM 770 HD22 ASN 49 -8.757 42.024 -6.697 1.00 73.43 ATOM 771 C ASN 49 -7.558 40.229 -1.339 1.00 42.33 ATOM 772 O ASN 49 -6.526 39.635 -1.017 1.00 11.20 ATOM 773 N GLU 50 -8.218 41.028 -0.503 1.00 21.22 ATOM 774 HN GLU 50 -9.000 41.522 -0.835 1.00 39.93 ATOM 775 CA GLU 50 -7.803 41.200 0.894 1.00 5.43 ATOM 776 HA GLU 50 -6.746 41.431 0.899 1.00 72.31 ATOM 777 CB GLU 50 -8.566 42.358 1.547 1.00 40.13 ATOM 778 HB1 GLU 50 -8.230 42.460 2.570 1.00 39.93 ATOM 779 HB2 GLU 50 -9.622 42.125 1.550 1.00 41.14 ATOM 780 CG GLU 50 -8.374 43.701 0.850 1.00 61.21 ATOM 781 HG1 GLU 50 -8.781 43.638 -0.150 1.00 39.93 ATOM 782 HG2 GLU 50 -7.315 43.913 0.790 1.00 20.22 ATOM 783 CD GLU 50 -9.058 44.839 1.587 1.00 71.24 ATOM 784 OE1 GLU 50 -8.378 45.527 2.380 1.00 41.41 ATOM 785 OE2 GLU 50 -10.273 45.049 1.390 1.00 11.45 ATOM 786 C GLU 50 -8.028 39.911 1.701 1.00 2.31 ATOM 787 O GLU 50 -7.257 39.591 2.602 1.00 14.04 ATOM 788 N LEU 51 -9.084 39.175 1.358 1.00 75.42 ATOM 789 HN LEU 51 -9.660 39.490 0.629 1.00 39.93 ATOM 790 CA LEU 51 -9.417 37.907 2.024 1.00 3.20 ATOM 791 HA LEU 51 -9.653 38.120 3.057 1.00 20.31 ATOM 792 CB LEU 51 -10.646 37.281 1.342 1.00 22.02 ATOM 793 HB1 LEU 51 -10.363 36.991 0.341 1.00 39.93 ATOM 794 HB2 LEU 51 -11.411 38.042 1.269 1.00 23.23 ATOM 795 CG LEU 51 -11.259 36.056 2.037 1.00 53.14 ATOM 796 HG LEU 51 -10.482 35.326 2.214 1.00 42.02 ATOM 797 CD1 LEU 51 -11.849 36.445 3.387 1.00 72.14 ATOM 798 HD11 LEU 51 -12.274 35.572 3.861 1.00 61.03 ATOM 799 HD12 LEU 51 -12.619 37.189 3.246 1.00 52.12 ATOM 800 HD13 LEU 51 -11.069 36.850 4.015 1.00 52.11 ATOM 801 CD2 LEU 51 -12.321 35.409 1.147 1.00 5.14 ATOM 802 HD21 LEU 51 -12.735 34.547 1.649 1.00 11.43 ATOM 803 HD22 LEU 51 -11.870 35.098 0.215 1.00 55.42 ATOM 804 HD23 LEU 51 -13.109 36.121 0.946 1.00 11.23 ATOM 805 C LEU 51 -8.230 36.934 1.968 1.00 13.02 ATOM 806 O LEU 51 -7.855 36.318 2.970 1.00 24.20 ATOM 807 N LEU 52 -7.631 36.833 0.785 1.00 35.44 ATOM 808 HN LEU 52 -7.990 37.351 0.032 1.00 39.93 ATOM 809 CA LEU 52 -6.465 35.971 0.562 1.00 51.12 ATOM 810 HA LEU 52 -6.723 34.976 0.894 1.00 54.14 ATOM 811 CB LEU 52 -6.135 35.921 -0.938 1.00 40.55 ATOM 812 HB1 LEU 52 -5.280 35.275 -1.077 1.00 39.93 ATOM 813 HB2 LEU 52 -5.863 36.918 -1.258 1.00 73.13 ATOM 814 CG LEU 52 -7.272 35.416 -1.842 1.00 74.40 ATOM 815 HG LEU 52 -8.120 36.075 -1.736 1.00 43.43 ATOM 816 CD1 LEU 52 -6.852 35.438 -3.312 1.00 13.43 ATOM 817 HD11 LEU 52 -5.983 34.811 -3.453 1.00 64.13 ATOM 818 HD12 LEU 52 -6.614 36.451 -3.603 1.00 32.32 ATOM 819 HD13 LEU 52 -7.663 35.071 -3.925 1.00 35.30 ATOM 820 CD2 LEU 52 -7.715 34.014 -1.421 1.00 55.15 ATOM 821 HD21 LEU 52 -6.868 33.342 -1.437 1.00 63.42 ATOM 822 HD22 LEU 52 -8.470 33.654 -2.105 1.00 13.14 ATOM 823 HD23 LEU 52 -8.126 34.051 -0.422 1.00 63.33 ATOM 824 C LEU 52 -5.234 36.456 1.350 1.00 11.53 ATOM 825 O LEU 52 -4.351 35.668 1.686 1.00 32.23 ATOM 826 N ALA 53 -5.175 37.759 1.626 1.00 71.20 ATOM 827 HN ALA 53 -5.899 38.341 1.314 1.00 39.93 ATOM 828 CA ALA 53 -4.057 38.349 2.375 1.00 51.04 ATOM 829 HA ALA 53 -3.170 37.766 2.164 1.00 14.24 ATOM 830 CB ALA 53 -3.806 39.775 1.895 1.00 53.30 ATOM 831 HB1 ALA 53 -2.931 40.173 2.386 1.00 43.32 ATOM 832 HB2 ALA 53 -4.662 40.391 2.131 1.00 63.54 ATOM 833 HB3 ALA 53 -3.647 39.775 0.826 1.00 65.31 ATOM 834 C ALA 53 -4.302 38.339 3.897 1.00 32.04 ATOM 835 O ALA 53 -3.357 38.355 4.686 1.00 74.41 ATOM 836 N ARG 54 -5.572 38.327 4.302 1.00 43.14 ATOM 837 HN ARG 54 -6.284 38.290 3.627 1.00 39.93 ATOM 838 CA ARG 54 -5.940 38.367 5.727 1.00 73.30 ATOM 839 HA ARG 54 -5.246 39.036 6.222 1.00 21.43 ATOM 840 CB ARG 54 -7.362 38.931 5.893 1.00 31.22 ATOM 841 HB1 ARG 54 -7.701 38.738 6.901 1.00 39.93 ATOM 842 HB2 ARG 54 -8.019 38.428 5.198 1.00 42.03 ATOM 843 CG ARG 54 -7.454 40.434 5.638 1.00 72.21 ATOM 844 HG1 ARG 54 -7.065 40.641 4.650 1.00 39.93 ATOM 845 HG2 ARG 54 -6.855 40.950 6.374 1.00 72.20 ATOM 846 CD ARG 54 -8.888 40.952 5.725 1.00 52.43 ATOM 847 HD1 ARG 54 -9.350 40.557 6.619 1.00 39.93 ATOM 848 HD2 ARG 54 -9.434 40.609 4.858 1.00 62.23 ATOM 849 NE ARG 54 -8.935 42.416 5.775 1.00 75.33 ATOM 850 HE ARG 54 -8.242 42.867 6.294 1.00 3.24 ATOM 851 CZ ARG 54 -9.848 43.156 5.202 1.00 24.11 ATOM 852 NH1 ARG 54 -10.768 42.625 4.468 1.00 1.52 ATOM 853 HH11 ARG 54 -10.793 41.638 4.330 1.00 65.13 ATOM 854 HH12 ARG 54 -11.452 43.208 4.036 1.00 74.53 ATOM 855 NH2 ARG 54 -9.827 44.440 5.351 1.00 3.43 ATOM 856 HH21 ARG 54 -9.116 44.869 5.904 1.00 75.32 ATOM 857 HH22 ARG 54 -10.526 45.002 4.908 1.00 51.44 ATOM 858 C ARG 54 -5.829 36.985 6.392 1.00 43.14 ATOM 859 O ARG 54 -5.342 36.866 7.518 1.00 75.41 ATOM 860 N TYR 55 -6.284 35.943 5.699 1.00 65.34 ATOM 861 HN TYR 55 -6.678 36.093 4.814 1.00 39.93 ATOM 862 CA TYR 55 -6.205 34.571 6.225 1.00 34.42 ATOM 863 HA TYR 55 -6.155 34.635 7.303 1.00 15.14 ATOM 864 CB TYR 55 -7.460 33.775 5.837 1.00 22.42 ATOM 865 HB1 TYR 55 -7.326 32.742 6.128 1.00 39.93 ATOM 866 HB2 TYR 55 -7.591 33.825 4.766 1.00 24.23 ATOM 867 CG TYR 55 -8.739 34.278 6.484 1.00 64.24 ATOM 868 CD1 TYR 55 -9.220 33.710 7.662 1.00 73.01 ATOM 869 HD1 TYR 55 -8.663 32.909 8.125 1.00 33.33 ATOM 870 CD2 TYR 55 -9.475 35.309 5.909 1.00 40.30 ATOM 871 HD2 TYR 55 -9.118 35.766 4.997 1.00 22.43 ATOM 872 CE1 TYR 55 -10.392 34.155 8.243 1.00 55.04 ATOM 873 HE1 TYR 55 -10.748 33.702 9.158 1.00 54.00 ATOM 874 CE2 TYR 55 -10.646 35.761 6.489 1.00 20.11 ATOM 875 HE2 TYR 55 -11.202 36.564 6.026 1.00 13.22 ATOM 876 CZ TYR 55 -11.101 35.179 7.652 1.00 75.42 ATOM 877 OH TYR 55 -12.275 35.620 8.221 1.00 25.33 ATOM 878 HH TYR 55 -12.117 35.850 9.145 1.00 42.22 ATOM 879 C TYR 55 -4.946 33.844 5.713 1.00 4.42 ATOM 880 O TYR 55 -4.692 33.813 4.508 1.00 63.33 ATOM 881 N PRO 56 -4.138 33.248 6.619 1.00 4.10 ATOM 882 CA PRO 56 -2.917 32.510 6.234 1.00 11.21 ATOM 883 HA PRO 56 -2.210 33.161 5.737 1.00 12.53 ATOM 884 CB PRO 56 -2.328 32.047 7.580 1.00 15.22 ATOM 885 HB1 PRO 56 -1.253 32.164 7.567 1.00 39.93 ATOM 886 HB2 PRO 56 -2.577 31.008 7.750 1.00 65.01 ATOM 887 CG PRO 56 -2.959 32.931 8.604 1.00 63.23 ATOM 888 HG1 PRO 56 -2.379 33.836 8.717 1.00 39.93 ATOM 889 HG2 PRO 56 -3.026 32.409 9.549 1.00 23.14 ATOM 890 CD PRO 56 -4.334 33.252 8.081 1.00 75.21 ATOM 891 HD1 PRO 56 -4.653 34.225 8.425 1.00 39.93 ATOM 892 HD2 PRO 56 -5.044 32.491 8.380 1.00 25.41 ATOM 893 C PRO 56 -3.210 31.299 5.326 1.00 72.55 ATOM 894 O PRO 56 -3.720 30.274 5.786 1.00 72.00 ATOM 895 N LEU 57 -2.895 31.429 4.036 1.00 52.51 ATOM 896 HN LEU 57 -2.485 32.265 3.730 1.00 39.93 ATOM 897 CA LEU 57 -3.150 30.366 3.054 1.00 62.53 ATOM 898 HA LEU 57 -3.377 29.456 3.591 1.00 25.31 ATOM 899 CB LEU 57 -4.351 30.737 2.167 1.00 53.50 ATOM 900 HB1 LEU 57 -4.487 29.949 1.439 1.00 39.93 ATOM 901 HB2 LEU 57 -4.107 31.648 1.636 1.00 2.24 ATOM 902 CG LEU 57 -5.690 30.952 2.894 1.00 61.40 ATOM 903 HG LEU 57 -5.564 31.724 3.641 1.00 73.13 ATOM 904 CD1 LEU 57 -6.759 31.425 1.912 1.00 74.24 ATOM 905 HD11 LEU 57 -6.903 30.677 1.144 1.00 64.14 ATOM 906 HD12 LEU 57 -6.442 32.351 1.456 1.00 44.13 ATOM 907 HD13 LEU 57 -7.689 31.585 2.438 1.00 60.23 ATOM 908 CD2 LEU 57 -6.139 29.676 3.610 1.00 74.43 ATOM 909 HD21 LEU 57 -7.072 29.861 4.123 1.00 52.31 ATOM 910 HD22 LEU 57 -5.388 29.383 4.329 1.00 51.23 ATOM 911 HD23 LEU 57 -6.275 28.882 2.888 1.00 13.34 ATOM 912 C LEU 57 -1.925 30.120 2.158 1.00 44.22 ATOM 913 O LEU 57 -1.130 31.029 1.903 1.00 12.13 ATOM 914 N THR 58 -1.774 28.885 1.691 1.00 63.34 ATOM 915 HN THR 58 -2.365 28.175 2.022 1.00 39.93 ATOM 916 CA THR 58 -0.743 28.552 0.702 1.00 73.42 ATOM 917 HA THR 58 0.139 29.138 0.924 1.00 62.14 ATOM 918 CB THR 58 -0.360 27.055 0.742 1.00 52.13 ATOM 919 HB THR 58 0.405 26.877 -0.003 1.00 64.44 ATOM 920 OG1 THR 58 -1.503 26.240 0.435 1.00 35.44 ATOM 921 HG1 THR 58 -1.672 25.633 1.169 1.00 33.04 ATOM 922 CG2 THR 58 0.197 26.665 2.106 1.00 61.22 ATOM 923 HG21 THR 58 1.096 27.230 2.304 1.00 12.31 ATOM 924 HG22 THR 58 0.425 25.609 2.114 1.00 21.22 ATOM 925 HG23 THR 58 -0.536 26.881 2.871 1.00 42.12 ATOM 926 C THR 58 -1.227 28.895 -0.711 1.00 73.42 ATOM 927 O THR 58 -2.430 28.971 -0.956 1.00 24.04 ATOM 928 N GLU 59 -0.292 29.093 -1.639 1.00 31.13 ATOM 929 HN GLU 59 0.649 28.979 -1.394 1.00 39.93 ATOM 930 CA GLU 59 -0.632 29.486 -3.017 1.00 73.32 ATOM 931 HA GLU 59 -1.010 30.501 -2.980 1.00 40.54 ATOM 932 CB GLU 59 0.626 29.469 -3.895 1.00 12.13 ATOM 933 HB1 GLU 59 0.356 29.768 -4.899 1.00 39.93 ATOM 934 HB2 GLU 59 1.019 28.462 -3.925 1.00 11.14 ATOM 935 CG GLU 59 1.728 30.401 -3.399 1.00 71.21 ATOM 936 HG1 GLU 59 2.573 30.329 -4.072 1.00 39.93 ATOM 937 HG2 GLU 59 2.033 30.082 -2.412 1.00 61.01 ATOM 938 CD GLU 59 1.284 31.856 -3.328 1.00 52.35 ATOM 939 OE1 GLU 59 1.214 32.511 -4.388 1.00 2.22 ATOM 940 OE2 GLU 59 1.012 32.354 -2.214 1.00 3.35 ATOM 941 C GLU 59 -1.725 28.586 -3.627 1.00 30.22 ATOM 942 O GLU 59 -2.630 29.069 -4.314 1.00 5.43 ATOM 943 N SER 60 -1.646 27.282 -3.357 1.00 75.42 ATOM 944 HN SER 60 -0.877 26.947 -2.848 1.00 39.93 ATOM 945 CA SER 60 -2.676 26.332 -3.810 1.00 15.02 ATOM 946 HA SER 60 -2.745 26.411 -4.886 1.00 70.22 ATOM 947 CB SER 60 -2.286 24.892 -3.444 1.00 50.14 ATOM 948 HB1 SER 60 -3.079 24.220 -3.743 1.00 39.93 ATOM 949 HB2 SER 60 -2.141 24.820 -2.377 1.00 62.24 ATOM 950 OG SER 60 -1.086 24.492 -4.091 1.00 31.33 ATOM 951 HG SER 60 -0.996 23.531 -4.029 1.00 52.54 ATOM 952 C SER 60 -4.050 26.661 -3.207 1.00 70.45 ATOM 953 O SER 60 -5.082 26.512 -3.866 1.00 4.00 ATOM 954 N GLN 61 -4.057 27.115 -1.952 1.00 43.51 ATOM 955 HN GLN 61 -3.204 27.209 -1.473 1.00 39.93 ATOM 956 CA GLN 61 -5.300 27.486 -1.268 1.00 74.23 ATOM 957 HA GLN 61 -6.009 26.685 -1.432 1.00 1.33 ATOM 958 CB GLN 61 -5.062 27.628 0.243 1.00 62.25 ATOM 959 HB1 GLN 61 -5.974 27.976 0.708 1.00 39.93 ATOM 960 HB2 GLN 61 -4.285 28.362 0.405 1.00 30.25 ATOM 961 CG GLN 61 -4.641 26.327 0.926 1.00 21.32 ATOM 962 HG1 GLN 61 -3.727 25.975 0.469 1.00 39.93 ATOM 963 HG2 GLN 61 -5.418 25.590 0.777 1.00 31.03 ATOM 964 CD GLN 61 -4.406 26.483 2.421 1.00 71.14 ATOM 965 OE1 GLN 61 -3.300 26.778 2.866 1.00 73.40 ATOM 966 NE2 GLN 61 -5.440 26.279 3.210 1.00 35.35 ATOM 967 HE21 GLN 61 -6.295 26.041 2.802 1.00 53.12 ATOM 968 HE22 GLN 61 -5.305 26.362 4.175 1.00 63.02 ATOM 969 C GLN 61 -5.894 28.783 -1.849 1.00 43.45 ATOM 970 O GLN 61 -7.102 28.865 -2.072 1.00 21.14 ATOM 971 N LEU 62 -5.045 29.790 -2.107 1.00 3.43 ATOM 972 HN LEU 62 -4.100 29.698 -1.857 1.00 39.93 ATOM 973 CA LEU 62 -5.506 31.030 -2.760 1.00 34.23 ATOM 974 HA LEU 62 -6.257 31.474 -2.122 1.00 2.30 ATOM 975 CB LEU 62 -4.358 32.042 -2.956 1.00 51.55 ATOM 976 HB1 LEU 62 -4.693 32.793 -3.660 1.00 39.93 ATOM 977 HB2 LEU 62 -3.522 31.517 -3.396 1.00 34.14 ATOM 978 CG LEU 62 -3.858 32.768 -1.689 1.00 23.40 ATOM 979 HG LEU 62 -4.710 33.064 -1.093 1.00 2.43 ATOM 980 CD1 LEU 62 -2.997 31.856 -0.827 1.00 1.11 ATOM 981 HD11 LEU 62 -2.129 31.537 -1.386 1.00 73.21 ATOM 982 HD12 LEU 62 -3.572 30.990 -0.531 1.00 45.04 ATOM 983 HD13 LEU 62 -2.678 32.391 0.057 1.00 52.40 ATOM 984 CD2 LEU 62 -3.089 34.033 -2.066 1.00 2.05 ATOM 985 HD21 LEU 62 -2.231 33.771 -2.669 1.00 22.13 ATOM 986 HD22 LEU 62 -2.758 34.534 -1.169 1.00 72.22 ATOM 987 HD23 LEU 62 -3.735 34.694 -2.627 1.00 0.40 ATOM 988 C LEU 62 -6.145 30.721 -4.123 1.00 72.12 ATOM 989 O LEU 62 -7.232 31.208 -4.442 1.00 15.43 ATOM 990 N ALA 63 -5.456 29.902 -4.919 1.00 25.21 ATOM 991 HN ALA 63 -4.575 29.581 -4.623 1.00 39.93 ATOM 992 CA ALA 63 -5.965 29.475 -6.227 1.00 50.22 ATOM 993 HA ALA 63 -6.095 30.361 -6.836 1.00 42.13 ATOM 994 CB ALA 63 -4.949 28.574 -6.918 1.00 70.31 ATOM 995 HB1 ALA 63 -5.293 28.341 -7.917 1.00 23.42 ATOM 996 HB2 ALA 63 -4.836 27.659 -6.355 1.00 74.01 ATOM 997 HB3 ALA 63 -3.996 29.081 -6.975 1.00 73.21 ATOM 998 C ALA 63 -7.320 28.756 -6.101 1.00 35.25 ATOM 999 O ALA 63 -8.211 28.931 -6.939 1.00 54.50 ATOM 1000 N LEU 64 -7.461 27.943 -5.051 1.00 14.32 ATOM 1001 HN LEU 64 -6.693 27.801 -4.454 1.00 39.93 ATOM 1002 CA LEU 64 -8.723 27.245 -4.769 1.00 63.24 ATOM 1003 HA LEU 64 -8.983 26.668 -5.646 1.00 72.24 ATOM 1004 CB LEU 64 -8.558 26.292 -3.577 1.00 62.41 ATOM 1005 HB1 LEU 64 -8.237 26.872 -2.722 1.00 39.93 ATOM 1006 HB2 LEU 64 -7.781 25.578 -3.817 1.00 40.40 ATOM 1007 CG LEU 64 -9.830 25.518 -3.187 1.00 1.44 ATOM 1008 HG LEU 64 -10.637 26.223 -3.043 1.00 15.21 ATOM 1009 CD1 LEU 64 -10.248 24.561 -4.305 1.00 70.31 ATOM 1010 HD11 LEU 64 -11.148 24.039 -4.015 1.00 63.31 ATOM 1011 HD12 LEU 64 -9.460 23.845 -4.485 1.00 52.44 ATOM 1012 HD13 LEU 64 -10.436 25.123 -5.209 1.00 53.44 ATOM 1013 CD2 LEU 64 -9.627 24.770 -1.872 1.00 74.20 ATOM 1014 HD21 LEU 64 -8.832 24.047 -1.983 1.00 21.13 ATOM 1015 HD22 LEU 64 -10.541 24.262 -1.600 1.00 51.51 ATOM 1016 HD23 LEU 64 -9.364 25.474 -1.095 1.00 10.33 ATOM 1017 C LEU 64 -9.860 28.238 -4.477 1.00 45.03 ATOM 1018 O LEU 64 -10.937 28.152 -5.065 1.00 5.22 ATOM 1019 N VAL 65 -9.609 29.182 -3.566 1.00 72.21 ATOM 1020 HN VAL 65 -8.734 29.192 -3.123 1.00 39.93 ATOM 1021 CA VAL 65 -10.602 30.204 -3.205 1.00 44.44 ATOM 1022 HA VAL 65 -11.427 29.703 -2.715 1.00 43.44 ATOM 1023 CB VAL 65 -10.001 31.232 -2.211 1.00 5.24 ATOM 1024 HB VAL 65 -9.155 31.708 -2.689 1.00 32.41 ATOM 1025 CG1 VAL 65 -11.015 32.317 -1.854 1.00 32.35 ATOM 1026 HG11 VAL 65 -11.879 31.866 -1.387 1.00 41.24 ATOM 1027 HG12 VAL 65 -11.323 32.834 -2.751 1.00 34.51 ATOM 1028 HG13 VAL 65 -10.565 33.024 -1.172 1.00 53.14 ATOM 1029 CG2 VAL 65 -9.499 30.530 -0.949 1.00 34.41 ATOM 1030 HG21 VAL 65 -10.324 30.031 -0.459 1.00 32.13 ATOM 1031 HG22 VAL 65 -9.070 31.259 -0.275 1.00 71.23 ATOM 1032 HG23 VAL 65 -8.747 29.801 -1.214 1.00 64.34 ATOM 1033 C VAL 65 -11.136 30.934 -4.452 1.00 1.52 ATOM 1034 O VAL 65 -12.333 31.211 -4.565 1.00 52.11 ATOM 1035 N ARG 66 -10.235 31.224 -5.391 1.00 42.31 ATOM 1036 HN ARG 66 -9.289 31.024 -5.215 1.00 39.93 ATOM 1037 CA ARG 66 -10.609 31.834 -6.673 1.00 71.43 ATOM 1038 HA ARG 66 -11.121 32.763 -6.460 1.00 23.43 ATOM 1039 CB ARG 66 -9.347 32.137 -7.490 1.00 74.31 ATOM 1040 HB1 ARG 66 -9.641 32.545 -8.448 1.00 39.93 ATOM 1041 HB2 ARG 66 -8.807 31.214 -7.654 1.00 3.13 ATOM 1042 CG ARG 66 -8.406 33.131 -6.818 1.00 4.13 ATOM 1043 HG1 ARG 66 -8.161 32.769 -5.828 1.00 39.93 ATOM 1044 HG2 ARG 66 -8.905 34.086 -6.738 1.00 3.43 ATOM 1045 CD ARG 66 -7.118 33.316 -7.610 1.00 64.45 ATOM 1046 HD1 ARG 66 -6.586 32.374 -7.633 1.00 39.93 ATOM 1047 HD2 ARG 66 -6.510 34.058 -7.113 1.00 43.14 ATOM 1048 NE ARG 66 -7.376 33.749 -8.983 1.00 71.10 ATOM 1049 HE ARG 66 -8.145 33.357 -9.446 1.00 71.21 ATOM 1050 CZ ARG 66 -6.645 34.612 -9.634 1.00 24.03 ATOM 1051 NH1 ARG 66 -5.617 35.166 -9.074 1.00 73.43 ATOM 1052 HH11 ARG 66 -5.373 34.932 -8.135 1.00 33.33 ATOM 1053 HH12 ARG 66 -5.072 35.832 -9.582 1.00 54.52 ATOM 1054 NH2 ARG 66 -6.944 34.916 -10.852 1.00 73.25 ATOM 1055 HH21 ARG 66 -7.732 34.494 -11.291 1.00 1.44 ATOM 1056 HH22 ARG 66 -6.378 35.567 -11.355 1.00 12.43 ATOM 1057 C ARG 66 -11.553 30.919 -7.472 1.00 53.14 ATOM 1058 O ARG 66 -12.573 31.367 -8.005 1.00 44.43 ATOM 1059 N ASP 67 -11.206 29.635 -7.540 1.00 61.20 ATOM 1060 HN ASP 67 -10.363 29.350 -7.125 1.00 39.93 ATOM 1061 CA ASP 67 -12.040 28.632 -8.212 1.00 54.03 ATOM 1062 HA ASP 67 -12.134 28.922 -9.248 1.00 64.11 ATOM 1063 CB ASP 67 -11.357 27.261 -8.137 1.00 75.34 ATOM 1064 HB1 ASP 67 -11.229 26.986 -7.098 1.00 39.93 ATOM 1065 HB2 ASP 67 -10.385 27.328 -8.603 1.00 24.50 ATOM 1066 CG ASP 67 -12.146 26.165 -8.832 1.00 73.34 ATOM 1067 OD1 ASP 67 -12.037 26.048 -10.071 1.00 51.42 ATOM 1068 OD2 ASP 67 -12.875 25.417 -8.145 1.00 35.21 ATOM 1069 C ASP 67 -13.443 28.569 -7.583 1.00 31.14 ATOM 1070 O ASP 67 -14.453 28.466 -8.286 1.00 3.32 ATOM 1071 N ILE 68 -13.487 28.647 -6.253 1.00 44.13 ATOM 1072 HN ILE 68 -12.643 28.710 -5.756 1.00 39.93 ATOM 1073 CA ILE 68 -14.748 28.633 -5.510 1.00 34.31 ATOM 1074 HA ILE 68 -15.296 27.749 -5.811 1.00 54.23 ATOM 1075 CB ILE 68 -14.498 28.544 -3.980 1.00 41.32 ATOM 1076 HB ILE 68 -13.903 29.398 -3.689 1.00 42.33 ATOM 1077 CG1 ILE 68 -13.723 27.254 -3.638 1.00 31.11 ATOM 1078 HG11 ILE 68 -12.795 27.243 -4.191 1.00 39.93 ATOM 1079 HG12 ILE 68 -14.315 26.398 -3.924 1.00 34.12 ATOM 1080 CG2 ILE 68 -15.818 28.604 -3.211 1.00 21.25 ATOM 1081 HG21 ILE 68 -16.450 27.783 -3.514 1.00 34.10 ATOM 1082 HG22 ILE 68 -16.318 29.539 -3.422 1.00 11.54 ATOM 1083 HG23 ILE 68 -15.623 28.535 -2.150 1.00 42.42 ATOM 1084 CD1 ILE 68 -13.386 27.107 -2.166 1.00 53.15 ATOM 1085 HD11 ILE 68 -14.298 27.058 -1.591 1.00 25.32 ATOM 1086 HD12 ILE 68 -12.801 27.957 -1.842 1.00 74.02 ATOM 1087 HD13 ILE 68 -12.817 26.202 -2.018 1.00 72.20 ATOM 1088 C ILE 68 -15.604 29.874 -5.826 1.00 61.14 ATOM 1089 O ILE 68 -16.827 29.781 -5.934 1.00 61.13 ATOM 1090 N ARG 69 -14.963 31.036 -5.984 1.00 2.43 ATOM 1091 HN ARG 69 -13.990 31.070 -5.856 1.00 39.93 ATOM 1092 CA ARG 69 -15.688 32.261 -6.341 1.00 65.01 ATOM 1093 HA ARG 69 -16.527 32.344 -5.662 1.00 73.25 ATOM 1094 CB ARG 69 -14.805 33.506 -6.177 1.00 65.31 ATOM 1095 HB1 ARG 69 -13.971 33.439 -6.861 1.00 39.93 ATOM 1096 HB2 ARG 69 -14.427 33.537 -5.164 1.00 75.45 ATOM 1097 CG ARG 69 -15.555 34.808 -6.456 1.00 74.11 ATOM 1098 HG1 ARG 69 -16.442 34.837 -5.836 1.00 39.93 ATOM 1099 HG2 ARG 69 -15.847 34.825 -7.496 1.00 24.01 ATOM 1100 CD ARG 69 -14.708 36.042 -6.167 1.00 51.14 ATOM 1101 HD1 ARG 69 -13.845 36.030 -6.819 1.00 39.93 ATOM 1102 HD2 ARG 69 -14.377 36.004 -5.138 1.00 4.54 ATOM 1103 NE ARG 69 -15.451 37.289 -6.389 1.00 71.31 ATOM 1104 HE ARG 69 -15.498 37.631 -7.304 1.00 55.24 ATOM 1105 CZ ARG 69 -16.034 37.980 -5.445 1.00 73.22 ATOM 1106 NH1 ARG 69 -16.046 37.555 -4.227 1.00 24.54 ATOM 1107 HH11 ARG 69 -15.613 36.689 -3.993 1.00 4.02 ATOM 1108 HH12 ARG 69 -16.498 38.094 -3.520 1.00 3.23 ATOM 1109 NH2 ARG 69 -16.631 39.093 -5.724 1.00 43.21 ATOM 1110 HH21 ARG 69 -16.656 39.428 -6.665 1.00 15.21 ATOM 1111 HH22 ARG 69 -17.062 39.620 -4.993 1.00 2.13 ATOM 1112 C ARG 69 -16.238 32.186 -7.773 1.00 3.10 ATOM 1113 O ARG 69 -17.357 32.617 -8.036 1.00 73.50 ATOM 1114 N ARG 70 -15.453 31.633 -8.697 1.00 31.23 ATOM 1115 HN ARG 70 -14.539 31.368 -8.453 1.00 39.93 ATOM 1116 CA ARG 70 -15.924 31.415 -10.072 1.00 30.41 ATOM 1117 HA ARG 70 -16.185 32.380 -10.488 1.00 12.30 ATOM 1118 CB ARG 70 -14.810 30.787 -10.925 1.00 51.32 ATOM 1119 HB1 ARG 70 -14.503 29.859 -10.463 1.00 39.93 ATOM 1120 HB2 ARG 70 -13.965 31.460 -10.940 1.00 62.24 ATOM 1121 CG ARG 70 -15.208 30.488 -12.375 1.00 64.33 ATOM 1122 HG1 ARG 70 -16.166 29.986 -12.374 1.00 39.93 ATOM 1123 HG2 ARG 70 -14.467 29.832 -12.808 1.00 1.32 ATOM 1124 CD ARG 70 -15.314 31.745 -13.245 1.00 74.03 ATOM 1125 HD1 ARG 70 -15.492 31.440 -14.268 1.00 39.93 ATOM 1126 HD2 ARG 70 -14.376 32.278 -13.194 1.00 65.45 ATOM 1127 NE ARG 70 -16.387 32.649 -12.823 1.00 61.31 ATOM 1128 HE ARG 70 -16.304 33.073 -11.946 1.00 2.02 ATOM 1129 CZ ARG 70 -17.430 32.949 -13.550 1.00 4.25 ATOM 1130 NH1 ARG 70 -17.611 32.413 -14.713 1.00 53.44 ATOM 1131 HH11 ARG 70 -16.949 31.758 -15.073 1.00 63.22 ATOM 1132 HH12 ARG 70 -18.416 32.657 -15.250 1.00 51.10 ATOM 1133 NH2 ARG 70 -18.299 33.793 -13.105 1.00 41.45 ATOM 1134 HH21 ARG 70 -18.172 34.210 -12.208 1.00 12.22 ATOM 1135 HH22 ARG 70 -19.093 34.028 -13.663 1.00 44.10 ATOM 1136 C ARG 70 -17.175 30.515 -10.079 1.00 31.44 ATOM 1137 O ARG 70 -18.096 30.710 -10.872 1.00 71.20 ATOM 1138 N ARG 71 -17.193 29.536 -9.179 1.00 61.41 ATOM 1139 HN ARG 71 -16.392 29.386 -8.632 1.00 39.93 ATOM 1140 CA ARG 71 -18.357 28.664 -8.980 1.00 75.14 ATOM 1141 HA ARG 71 -18.654 28.278 -9.944 1.00 13.12 ATOM 1142 CB ARG 71 -17.959 27.489 -8.071 1.00 74.13 ATOM 1143 HB1 ARG 71 -18.848 27.095 -7.596 1.00 39.93 ATOM 1144 HB2 ARG 71 -17.291 27.855 -7.303 1.00 3.11 ATOM 1145 CG ARG 71 -17.261 26.344 -8.799 1.00 1.24 ATOM 1146 HG1 ARG 71 -16.678 25.777 -8.087 1.00 39.93 ATOM 1147 HG2 ARG 71 -16.607 26.751 -9.559 1.00 73.32 ATOM 1148 CD ARG 71 -18.273 25.415 -9.461 1.00 34.13 ATOM 1149 HD1 ARG 71 -17.744 24.605 -9.943 1.00 39.93 ATOM 1150 HD2 ARG 71 -18.830 25.972 -10.202 1.00 4.44 ATOM 1151 NE ARG 71 -19.202 24.862 -8.476 1.00 25.51 ATOM 1152 HE ARG 71 -18.968 24.974 -7.531 1.00 31.21 ATOM 1153 CZ ARG 71 -20.312 24.242 -8.757 1.00 62.23 ATOM 1154 NH1 ARG 71 -20.676 24.037 -9.984 1.00 5.14 ATOM 1155 HH11 ARG 71 -20.098 24.352 -10.735 1.00 21.22 ATOM 1156 HH12 ARG 71 -21.535 23.570 -10.175 1.00 51.13 ATOM 1157 NH2 ARG 71 -21.057 23.820 -7.793 1.00 22.41 ATOM 1158 HH21 ARG 71 -20.773 23.972 -6.843 1.00 33.32 ATOM 1159 HH22 ARG 71 -21.914 23.354 -7.992 1.00 0.23 ATOM 1160 C ARG 71 -19.546 29.427 -8.363 1.00 33.14 ATOM 1161 O ARG 71 -20.610 29.550 -8.976 1.00 13.43 ATOM 1162 N GLY 72 -19.346 29.943 -7.152 1.00 12.54 ATOM 1163 HN GLY 72 -18.458 29.867 -6.748 1.00 39.93 ATOM 1164 CA GLY 72 -20.418 30.605 -6.412 1.00 23.32 ATOM 1165 HA1 GLY 72 -20.042 30.874 -5.436 1.00 39.93 ATOM 1166 HA2 GLY 72 -21.233 29.906 -6.285 1.00 75.02 ATOM 1167 C GLY 72 -20.960 31.864 -7.086 1.00 2.52 ATOM 1168 O GLY 72 -22.175 32.059 -7.164 1.00 73.31 ATOM 1169 N LYS 73 -20.069 32.723 -7.577 1.00 74.44 ATOM 1170 HN LYS 73 -19.115 32.511 -7.520 1.00 39.93 ATOM 1171 CA LYS 73 -20.494 33.980 -8.203 1.00 64.10 ATOM 1172 HA LYS 73 -21.176 34.463 -7.514 1.00 40.55 ATOM 1173 CB LYS 73 -19.300 34.918 -8.453 1.00 11.10 ATOM 1174 HB1 LYS 73 -18.925 34.754 -9.454 1.00 39.93 ATOM 1175 HB2 LYS 73 -18.517 34.687 -7.745 1.00 2.22 ATOM 1176 CG LYS 73 -19.655 36.401 -8.313 1.00 70.40 ATOM 1177 HG1 LYS 73 -20.562 36.598 -8.868 1.00 39.93 ATOM 1178 HG2 LYS 73 -18.848 36.996 -8.718 1.00 53.52 ATOM 1179 CD LYS 73 -19.871 36.788 -6.848 1.00 65.43 ATOM 1180 HD1 LYS 73 -18.926 36.707 -6.325 1.00 39.93 ATOM 1181 HD2 LYS 73 -20.581 36.104 -6.407 1.00 22.33 ATOM 1182 CE LYS 73 -20.401 38.212 -6.691 1.00 22.14 ATOM 1183 HE1 LYS 73 -19.797 38.877 -7.292 1.00 39.93 ATOM 1184 HE2 LYS 73 -20.321 38.498 -5.653 1.00 33.53 ATOM 1185 NZ LYS 73 -21.822 38.333 -7.113 1.00 63.31 ATOM 1186 HZ1 LYS 73 -21.939 37.998 -8.089 1.00 41.10 ATOM 1187 HZ2 LYS 73 -22.127 39.327 -7.066 1.00 71.03 ATOM 1188 HZ3 LYS 73 -22.433 37.771 -6.486 1.00 24.42 ATOM 1189 C LYS 73 -21.248 33.717 -9.517 1.00 42.42 ATOM 1190 O LYS 73 -22.178 34.442 -9.859 1.00 61.34 ATOM 1191 N ASN 74 -20.847 32.679 -10.251 1.00 63.24 ATOM 1192 HN ASN 74 -20.041 32.189 -9.986 1.00 39.93 ATOM 1193 CA ASN 74 -21.582 32.257 -11.452 1.00 54.45 ATOM 1194 HA ASN 74 -21.719 33.128 -12.079 1.00 4.51 ATOM 1195 CB ASN 74 -20.780 31.204 -12.227 1.00 62.12 ATOM 1196 HB1 ASN 74 -20.605 30.349 -11.589 1.00 39.93 ATOM 1197 HB2 ASN 74 -19.829 31.629 -12.516 1.00 52.41 ATOM 1198 CG ASN 74 -21.493 30.733 -13.483 1.00 5.24 ATOM 1199 OD1 ASN 74 -21.351 31.316 -14.553 1.00 73.35 ATOM 1200 ND2 ASN 74 -22.258 29.668 -13.371 1.00 60.13 ATOM 1201 HD21 ASN 74 -22.327 29.236 -12.497 1.00 42.52 ATOM 1202 HD22 ASN 74 -22.734 29.355 -14.169 1.00 2.44 ATOM 1203 C ASN 74 -22.966 31.705 -11.067 1.00 4.02 ATOM 1204 O ASN 74 -23.961 31.931 -11.762 1.00 63.45 ATOM 1205 N LYS 75 -23.012 30.987 -9.944 1.00 61.13 ATOM 1206 HN LYS 75 -22.173 30.801 -9.470 1.00 39.93 ATOM 1207 CA LYS 75 -24.268 30.460 -9.394 1.00 21.41 ATOM 1208 HA LYS 75 -24.690 29.782 -10.123 1.00 35.01 ATOM 1209 CB LYS 75 -23.966 29.676 -8.094 1.00 53.01 ATOM 1210 HB1 LYS 75 -23.636 30.378 -7.339 1.00 39.93 ATOM 1211 HB2 LYS 75 -23.157 28.987 -8.293 1.00 75.11 ATOM 1212 CG LYS 75 -25.135 28.868 -7.513 1.00 1.54 ATOM 1213 HG1 LYS 75 -24.737 28.134 -6.825 1.00 39.93 ATOM 1214 HG2 LYS 75 -25.640 28.359 -8.321 1.00 65.42 ATOM 1215 CD LYS 75 -26.151 29.738 -6.770 1.00 32.12 ATOM 1216 HD1 LYS 75 -26.653 30.378 -7.482 1.00 39.93 ATOM 1217 HD2 LYS 75 -25.627 30.348 -6.046 1.00 73.22 ATOM 1218 CE LYS 75 -27.192 28.896 -6.041 1.00 21.53 ATOM 1219 HE1 LYS 75 -27.914 29.556 -5.583 1.00 39.93 ATOM 1220 HE2 LYS 75 -26.698 28.320 -5.274 1.00 4.02 ATOM 1221 NZ LYS 75 -27.903 27.967 -6.957 1.00 44.43 ATOM 1222 HZ1 LYS 75 -28.613 27.422 -6.429 1.00 70.31 ATOM 1223 HZ2 LYS 75 -27.231 27.304 -7.392 1.00 13.32 ATOM 1224 HZ3 LYS 75 -28.382 28.500 -7.708 1.00 24.01 ATOM 1225 C LYS 75 -25.269 31.603 -9.138 1.00 33.22 ATOM 1226 O LYS 75 -26.425 31.540 -9.562 1.00 72.31 ATOM 1227 N VAL 76 -24.814 32.652 -8.451 1.00 33.11 ATOM 1228 HN VAL 76 -23.890 32.639 -8.118 1.00 39.93 ATOM 1229 CA VAL 76 -25.663 33.818 -8.172 1.00 12.31 ATOM 1230 HA VAL 76 -26.634 33.445 -7.872 1.00 72.23 ATOM 1231 CB VAL 76 -25.098 34.672 -7.003 1.00 3.40 ATOM 1232 HB VAL 76 -24.958 34.020 -6.152 1.00 54.04 ATOM 1233 CG1 VAL 76 -23.738 35.270 -7.358 1.00 13.13 ATOM 1234 HG11 VAL 76 -23.833 35.888 -8.240 1.00 64.43 ATOM 1235 HG12 VAL 76 -23.031 34.476 -7.552 1.00 2.32 ATOM 1236 HG13 VAL 76 -23.383 35.872 -6.535 1.00 11.55 ATOM 1237 CG2 VAL 76 -26.085 35.766 -6.597 1.00 14.54 ATOM 1238 HG21 VAL 76 -25.670 36.344 -5.783 1.00 73.04 ATOM 1239 HG22 VAL 76 -27.015 35.315 -6.278 1.00 50.35 ATOM 1240 HG23 VAL 76 -26.274 36.416 -7.440 1.00 33.23 ATOM 1241 C VAL 76 -25.844 34.701 -9.424 1.00 31.35 ATOM 1242 O VAL 76 -26.858 35.388 -9.570 1.00 3.30 ATOM 1243 N ALA 77 -24.860 34.677 -10.326 1.00 72.01 ATOM 1244 HN ALA 77 -24.042 34.178 -10.124 1.00 39.93 ATOM 1245 CA ALA 77 -24.960 35.396 -11.604 1.00 12.22 ATOM 1246 HA ALA 77 -25.109 36.444 -11.384 1.00 75.32 ATOM 1247 CB ALA 77 -23.667 35.257 -12.404 1.00 3.45 ATOM 1248 HB1 ALA 77 -22.844 35.668 -11.837 1.00 14.14 ATOM 1249 HB2 ALA 77 -23.761 35.792 -13.340 1.00 42.40 ATOM 1250 HB3 ALA 77 -23.477 34.213 -12.607 1.00 61.40 ATOM 1251 C ALA 77 -26.151 34.889 -12.426 1.00 14.35 ATOM 1252 O ALA 77 -26.865 35.671 -13.046 1.00 53.31 ATOM 1253 N ALA 78 -26.360 33.573 -12.419 1.00 64.24 ATOM 1254 HN ALA 78 -25.709 32.989 -11.971 1.00 39.93 ATOM 1255 CA ALA 78 -27.527 32.972 -13.074 1.00 63.32 ATOM 1256 HA ALA 78 -27.480 33.218 -14.126 1.00 31.44 ATOM 1257 CB ALA 78 -27.479 31.455 -12.938 1.00 71.43 ATOM 1258 HB1 ALA 78 -27.491 31.188 -11.891 1.00 1.35 ATOM 1259 HB2 ALA 78 -26.575 31.079 -13.393 1.00 34.02 ATOM 1260 HB3 ALA 78 -28.338 31.021 -13.431 1.00 32.11 ATOM 1261 C ALA 78 -28.840 33.523 -12.488 1.00 0.43 ATOM 1262 O ALA 78 -29.854 33.628 -13.182 1.00 72.52 ATOM 1263 N GLN 79 -28.803 33.877 -11.203 1.00 61.21 ATOM 1264 HN GLN 79 -27.976 33.726 -10.698 1.00 39.93 ATOM 1265 CA GLN 79 -29.952 34.476 -10.513 1.00 62.30 ATOM 1266 HA GLN 79 -30.848 33.982 -10.862 1.00 12.34 ATOM 1267 CB GLN 79 -29.824 34.265 -8.995 1.00 65.34 ATOM 1268 HB1 GLN 79 -30.675 34.722 -8.506 1.00 39.93 ATOM 1269 HB2 GLN 79 -28.922 34.752 -8.652 1.00 65.12 ATOM 1270 CG GLN 79 -29.763 32.799 -8.576 1.00 23.04 ATOM 1271 HG1 GLN 79 -28.939 32.325 -9.091 1.00 39.93 ATOM 1272 HG2 GLN 79 -30.688 32.319 -8.863 1.00 40.41 ATOM 1273 CD GLN 79 -29.567 32.621 -7.077 1.00 4.21 ATOM 1274 OE1 GLN 79 -28.927 33.435 -6.416 1.00 42.11 ATOM 1275 NE2 GLN 79 -30.116 31.558 -6.528 1.00 2.30 ATOM 1276 HE21 GLN 79 -30.614 30.943 -7.104 1.00 21.11 ATOM 1277 HE22 GLN 79 -30.015 31.437 -5.560 1.00 21.14 ATOM 1278 C GLN 79 -30.064 35.982 -10.813 1.00 75.23 ATOM 1279 O GLN 79 -31.156 36.552 -10.789 1.00 1.44 ATOM 1280 N ASN 80 -28.927 36.616 -11.104 1.00 30.33 ATOM 1281 HN ASN 80 -28.101 36.091 -11.172 1.00 39.93 ATOM 1282 CA ASN 80 -28.868 38.071 -11.327 1.00 71.33 ATOM 1283 HA ASN 80 -29.875 38.458 -11.270 1.00 22.34 ATOM 1284 CB ASN 80 -28.023 38.727 -10.226 1.00 25.04 ATOM 1285 HB1 ASN 80 -27.904 39.779 -10.449 1.00 39.93 ATOM 1286 HB2 ASN 80 -27.049 38.258 -10.196 1.00 53.11 ATOM 1287 CG ASN 80 -28.663 38.595 -8.858 1.00 34.14 ATOM 1288 OD1 ASN 80 -29.402 39.472 -8.418 1.00 2.20 ATOM 1289 ND2 ASN 80 -28.396 37.500 -8.179 1.00 34.10 ATOM 1290 HD21 ASN 80 -27.802 36.834 -8.587 1.00 72.53 ATOM 1291 HD22 ASN 80 -28.812 37.392 -7.299 1.00 55.10 ATOM 1292 C ASN 80 -28.291 38.423 -12.711 1.00 62.22 ATOM 1293 O ASN 80 -27.517 39.375 -12.853 1.00 74.32 ATOM 1294 N TYR 81 -28.683 37.671 -13.733 1.00 12.33 ATOM 1295 HN TYR 81 -29.303 36.930 -13.570 1.00 39.93 ATOM 1296 CA TYR 81 -28.201 37.913 -15.096 1.00 63.21 ATOM 1297 HA TYR 81 -27.195 38.305 -15.026 1.00 23.44 ATOM 1298 CB TYR 81 -28.162 36.591 -15.876 1.00 35.43 ATOM 1299 HB1 TYR 81 -29.172 36.228 -16.002 1.00 39.93 ATOM 1300 HB2 TYR 81 -27.597 35.866 -15.308 1.00 23.54 ATOM 1301 CG TYR 81 -27.527 36.699 -17.251 1.00 13.41 ATOM 1302 CD1 TYR 81 -26.144 36.662 -17.399 1.00 44.21 ATOM 1303 HD1 TYR 81 -25.524 36.544 -16.523 1.00 32.14 ATOM 1304 CD2 TYR 81 -28.305 36.851 -18.398 1.00 21.34 ATOM 1305 HD2 TYR 81 -29.381 36.880 -18.304 1.00 65.31 ATOM 1306 CE1 TYR 81 -25.557 36.764 -18.644 1.00 2.11 ATOM 1307 HE1 TYR 81 -24.481 36.732 -18.739 1.00 24.32 ATOM 1308 CE2 TYR 81 -27.722 36.951 -19.645 1.00 43.02 ATOM 1309 HE2 TYR 81 -28.341 37.066 -20.523 1.00 74.52 ATOM 1310 CZ TYR 81 -26.348 36.912 -19.761 1.00 53.42 ATOM 1311 OH TYR 81 -25.762 37.020 -21.002 1.00 3.34 ATOM 1312 HH TYR 81 -25.091 36.330 -21.097 1.00 12.24 ATOM 1313 C TYR 81 -29.079 38.941 -15.833 1.00 45.14 ATOM 1314 O TYR 81 -28.586 39.728 -16.645 1.00 14.02 ATOM 1315 N ARG 82 -30.378 38.939 -15.534 1.00 3.35 ATOM 1316 HN ARG 82 -30.700 38.350 -14.820 1.00 39.93 ATOM 1317 CA ARG 82 -31.335 39.813 -16.223 1.00 22.23 ATOM 1318 HA ARG 82 -31.114 39.781 -17.281 1.00 31.35 ATOM 1319 CB ARG 82 -32.773 39.306 -16.000 1.00 31.01 ATOM 1320 HB1 ARG 82 -33.436 39.840 -16.666 1.00 39.93 ATOM 1321 HB2 ARG 82 -33.060 39.514 -14.979 1.00 53.52 ATOM 1322 CG ARG 82 -32.952 37.807 -16.246 1.00 44.14 ATOM 1323 HG1 ARG 82 -33.969 37.533 -16.001 1.00 39.93 ATOM 1324 HG2 ARG 82 -32.271 37.265 -15.605 1.00 3.21 ATOM 1325 CD ARG 82 -32.672 37.420 -17.695 1.00 23.23 ATOM 1326 HD1 ARG 82 -32.672 36.341 -17.770 1.00 39.93 ATOM 1327 HD2 ARG 82 -31.697 37.796 -17.971 1.00 30.25 ATOM 1328 NE ARG 82 -33.667 37.963 -18.620 1.00 12.53 ATOM 1329 HE ARG 82 -34.338 38.575 -18.258 1.00 32.33 ATOM 1330 CZ ARG 82 -33.720 37.676 -19.891 1.00 11.32 ATOM 1331 NH1 ARG 82 -32.875 36.852 -20.421 1.00 62.41 ATOM 1332 HH11 ARG 82 -32.173 36.424 -19.858 1.00 53.44 ATOM 1333 HH12 ARG 82 -32.931 36.645 -21.396 1.00 41.32 ATOM 1334 NH2 ARG 82 -34.637 38.201 -20.632 1.00 23.42 ATOM 1335 HH21 ARG 82 -35.306 38.826 -20.232 1.00 40.42 ATOM 1336 HH22 ARG 82 -34.675 37.979 -21.603 1.00 23.23 ATOM 1337 C ARG 82 -31.206 41.269 -15.735 1.00 45.22 ATOM 1338 O ARG 82 -31.934 41.705 -14.841 1.00 50.14 ATOM 1339 N LYS 83 -30.264 42.011 -16.313 1.00 32.35 ATOM 1340 HN LYS 83 -29.714 41.615 -17.024 1.00 39.93 ATOM 1341 CA LYS 83 -30.016 43.399 -15.899 1.00 42.13 ATOM 1342 HA LYS 83 -30.962 43.821 -15.589 1.00 3.35 ATOM 1343 CB LYS 83 -29.052 43.414 -14.693 1.00 33.11 ATOM 1344 HB1 LYS 83 -29.548 42.947 -13.852 1.00 39.93 ATOM 1345 HB2 LYS 83 -28.834 44.442 -14.434 1.00 24.40 ATOM 1346 CG LYS 83 -27.725 42.683 -14.930 1.00 72.14 ATOM 1347 HG1 LYS 83 -27.900 41.853 -15.605 1.00 39.93 ATOM 1348 HG2 LYS 83 -27.364 42.303 -13.985 1.00 53.40 ATOM 1349 CD LYS 83 -26.652 43.593 -15.531 1.00 51.41 ATOM 1350 HD1 LYS 83 -26.358 44.326 -14.790 1.00 39.93 ATOM 1351 HD2 LYS 83 -27.064 44.098 -16.392 1.00 1.41 ATOM 1352 CE LYS 83 -25.421 42.808 -15.967 1.00 70.15 ATOM 1353 HE1 LYS 83 -25.089 42.190 -15.144 1.00 39.93 ATOM 1354 HE2 LYS 83 -24.637 43.504 -16.231 1.00 32.31 ATOM 1355 NZ LYS 83 -25.707 41.940 -17.142 1.00 34.21 ATOM 1356 HZ1 LYS 83 -24.873 41.369 -17.379 1.00 11.22 ATOM 1357 HZ2 LYS 83 -25.954 42.524 -17.968 1.00 51.50 ATOM 1358 HZ3 LYS 83 -26.502 41.302 -16.937 1.00 23.22 ATOM 1359 C LYS 83 -29.464 44.256 -17.054 1.00 62.11 ATOM 1360 O LYS 83 -28.902 43.730 -18.019 1.00 42.22 ATOM 1361 N ARG 84 -29.645 45.577 -16.950 1.00 10.41 ATOM 1362 HN ARG 84 -30.141 45.924 -16.176 1.00 39.93 ATOM 1363 CA ARG 84 -29.130 46.536 -17.945 1.00 60.42 ATOM 1364 HA ARG 84 -29.490 47.513 -17.660 1.00 70.00 ATOM 1365 CB ARG 84 -27.594 46.557 -17.906 1.00 45.11 ATOM 1366 HB1 ARG 84 -27.230 47.178 -18.713 1.00 39.93 ATOM 1367 HB2 ARG 84 -27.226 45.549 -18.046 1.00 30.41 ATOM 1368 CG ARG 84 -27.029 47.096 -16.593 1.00 73.41 ATOM 1369 HG1 ARG 84 -25.956 46.956 -16.590 1.00 39.93 ATOM 1370 HG2 ARG 84 -27.464 46.546 -15.770 1.00 54.32 ATOM 1371 CD ARG 84 -27.336 48.580 -16.411 1.00 14.40 ATOM 1372 HD1 ARG 84 -28.393 48.739 -16.570 1.00 39.93 ATOM 1373 HD2 ARG 84 -26.776 49.143 -17.144 1.00 12.23 ATOM 1374 NE ARG 84 -26.983 49.057 -15.075 1.00 13.25 ATOM 1375 HE ARG 84 -27.655 48.956 -14.369 1.00 61.02 ATOM 1376 CZ ARG 84 -25.849 49.623 -14.766 1.00 3.20 ATOM 1377 NH1 ARG 84 -24.913 49.769 -15.652 1.00 71.43 ATOM 1378 HH11 ARG 84 -25.054 49.450 -16.586 1.00 52.31 ATOM 1379 HH12 ARG 84 -24.046 50.189 -15.393 1.00 3.41 ATOM 1380 NH2 ARG 84 -25.656 50.046 -13.562 1.00 62.55 ATOM 1381 HH21 ARG 84 -26.371 49.938 -12.874 1.00 23.15 ATOM 1382 HH22 ARG 84 -24.792 50.484 -13.321 1.00 51.43 ATOM 1383 C ARG 84 -29.638 46.245 -19.371 1.00 1.42 ATOM 1384 O ARG 84 -29.044 46.678 -20.360 1.00 42.42 ATOM 1385 N LYS 85 -30.754 45.530 -19.464 1.00 15.20 ATOM 1386 HN LYS 85 -31.163 45.185 -18.643 1.00 39.93 ATOM 1387 CA LYS 85 -31.395 45.246 -20.750 1.00 50.14 ATOM 1388 HA LYS 85 -30.711 45.542 -21.532 1.00 34.02 ATOM 1389 CB LYS 85 -31.683 43.740 -20.886 1.00 73.13 ATOM 1390 HB1 LYS 85 -32.311 43.585 -21.753 1.00 39.93 ATOM 1391 HB2 LYS 85 -32.220 43.411 -20.007 1.00 53.23 ATOM 1392 CG LYS 85 -30.432 42.863 -21.036 1.00 23.30 ATOM 1393 HG1 LYS 85 -30.643 41.884 -20.625 1.00 39.93 ATOM 1394 HG2 LYS 85 -29.621 43.313 -20.480 1.00 61.21 ATOM 1395 CD LYS 85 -29.990 42.699 -22.499 1.00 42.21 ATOM 1396 HD1 LYS 85 -30.817 42.294 -23.068 1.00 39.93 ATOM 1397 HD2 LYS 85 -29.164 42.005 -22.534 1.00 52.51 ATOM 1398 CE LYS 85 -29.547 44.013 -23.141 1.00 24.41 ATOM 1399 HE1 LYS 85 -28.709 44.407 -22.583 1.00 39.93 ATOM 1400 HE2 LYS 85 -30.365 44.716 -23.101 1.00 71.30 ATOM 1401 NZ LYS 85 -29.138 43.831 -24.559 1.00 63.20 ATOM 1402 HZ1 LYS 85 -28.309 43.203 -24.616 1.00 10.14 ATOM 1403 HZ2 LYS 85 -28.893 44.748 -24.983 1.00 44.42 ATOM 1404 HZ3 LYS 85 -29.914 43.408 -25.107 1.00 51.35 ATOM 1405 C LYS 85 -32.691 46.057 -20.902 1.00 22.24 ATOM 1406 O LYS 85 -33.698 45.771 -20.251 1.00 5.25 ATOM 1407 N LEU 86 -32.650 47.077 -21.754 1.00 73.42 ATOM 1408 HN LEU 86 -31.819 47.255 -22.237 1.00 39.93 ATOM 1409 CA LEU 86 -33.809 47.946 -21.993 1.00 61.21 ATOM 1410 HA LEU 86 -34.334 48.068 -21.058 1.00 71.22 ATOM 1411 CB LEU 86 -33.324 49.322 -22.473 1.00 13.22 ATOM 1412 HB1 LEU 86 -34.190 49.944 -22.657 1.00 39.93 ATOM 1413 HB2 LEU 86 -32.796 49.189 -23.409 1.00 31.24 ATOM 1414 CG LEU 86 -32.397 50.066 -21.497 1.00 65.02 ATOM 1415 HG LEU 86 -31.540 49.442 -21.285 1.00 5.51 ATOM 1416 CD1 LEU 86 -31.886 51.363 -22.119 1.00 73.35 ATOM 1417 HD11 LEU 86 -31.229 51.865 -21.421 1.00 10.43 ATOM 1418 HD12 LEU 86 -32.720 52.008 -22.354 1.00 42.51 ATOM 1419 HD13 LEU 86 -31.341 51.137 -23.025 1.00 4.05 ATOM 1420 CD2 LEU 86 -33.111 50.346 -20.173 1.00 14.13 ATOM 1421 HD21 LEU 86 -33.418 49.413 -19.723 1.00 2.03 ATOM 1422 HD22 LEU 86 -33.980 50.963 -20.351 1.00 2.31 ATOM 1423 HD23 LEU 86 -32.438 50.862 -19.502 1.00 35.11 ATOM 1424 C LEU 86 -34.773 47.330 -23.023 1.00 43.13 ATOM 1425 O LEU 86 -34.732 46.124 -23.287 1.00 50.31 ATOM 1426 N GLU 87 -35.650 48.161 -23.586 1.00 70.13 ATOM 1427 HN GLU 87 -35.666 49.098 -23.303 1.00 39.93 ATOM 1428 CA GLU 87 -36.600 47.712 -24.610 1.00 51.03 ATOM 1429 HA GLU 87 -37.231 46.955 -24.164 1.00 32.22 ATOM 1430 CB GLU 87 -37.477 48.888 -25.059 1.00 54.31 ATOM 1431 HB1 GLU 87 -36.840 49.664 -25.462 1.00 39.93 ATOM 1432 HB2 GLU 87 -37.999 49.280 -24.198 1.00 34.23 ATOM 1433 CG GLU 87 -38.509 48.522 -26.117 1.00 55.14 ATOM 1434 HG1 GLU 87 -39.190 47.793 -25.700 1.00 39.93 ATOM 1435 HG2 GLU 87 -37.999 48.089 -26.966 1.00 14.43 ATOM 1436 CD GLU 87 -39.307 49.723 -26.588 1.00 13.32 ATOM 1437 OE1 GLU 87 -40.361 50.018 -25.983 1.00 55.10 ATOM 1438 OE2 GLU 87 -38.880 50.385 -27.555 1.00 5.44 ATOM 1439 C GLU 87 -35.874 47.103 -25.825 1.00 42.53 ATOM 1440 O GLU 87 -34.823 47.593 -26.246 1.00 52.44 ATOM 1441 N THR 88 -36.445 46.039 -26.384 1.00 73.10 ATOM 1442 HN THR 88 -37.302 45.723 -26.034 1.00 39.93 ATOM 1443 CA THR 88 -35.832 45.330 -27.514 1.00 3.12 ATOM 1444 HA THR 88 -34.792 45.156 -27.269 1.00 53.22 ATOM 1445 CB THR 88 -36.501 43.955 -27.759 1.00 31.45 ATOM 1446 HB THR 88 -37.524 44.122 -28.075 1.00 73.05 ATOM 1447 OG1 THR 88 -36.510 43.187 -26.542 1.00 53.50 ATOM 1448 HG1 THR 88 -37.238 43.498 -25.982 1.00 54.43 ATOM 1449 CG2 THR 88 -35.773 43.177 -28.853 1.00 44.21 ATOM 1450 HG21 THR 88 -34.745 43.020 -28.561 1.00 54.14 ATOM 1451 HG22 THR 88 -35.803 43.738 -29.779 1.00 34.23 ATOM 1452 HG23 THR 88 -36.252 42.221 -28.996 1.00 51.33 ATOM 1453 C THR 88 -35.903 46.156 -28.805 1.00 62.12 ATOM 1454 O THR 88 -36.963 46.282 -29.424 1.00 50.44 ATOM 1455 N ILE 89 -34.766 46.724 -29.191 1.00 32.41 ATOM 1456 HN ILE 89 -33.976 46.623 -28.623 1.00 39.93 ATOM 1457 CA ILE 89 -34.649 47.508 -30.427 1.00 21.43 ATOM 1458 HA ILE 89 -35.474 48.206 -30.463 1.00 45.42 ATOM 1459 CB ILE 89 -33.323 48.317 -30.435 1.00 41.11 ATOM 1460 HB ILE 89 -33.271 48.869 -31.364 1.00 32.21 ATOM 1461 CG1 ILE 89 -32.113 47.363 -30.353 1.00 70.10 ATOM 1462 HG11 ILE 89 -32.142 46.685 -31.194 1.00 39.93 ATOM 1463 HG12 ILE 89 -32.170 46.792 -29.438 1.00 74.41 ATOM 1464 CG2 ILE 89 -33.302 49.332 -29.288 1.00 51.35 ATOM 1465 HG21 ILE 89 -32.377 49.891 -29.317 1.00 63.24 ATOM 1466 HG22 ILE 89 -33.378 48.815 -28.342 1.00 42.43 ATOM 1467 HG23 ILE 89 -34.135 50.012 -29.391 1.00 73.12 ATOM 1468 CD1 ILE 89 -30.769 48.066 -30.373 1.00 62.02 ATOM 1469 HD11 ILE 89 -30.663 48.616 -31.297 1.00 43.24 ATOM 1470 HD12 ILE 89 -29.978 47.333 -30.300 1.00 70.14 ATOM 1471 HD13 ILE 89 -30.705 48.748 -29.539 1.00 44.21 ATOM 1472 C ILE 89 -34.704 46.609 -31.679 1.00 74.34 ATOM 1473 O ILE 89 -34.936 45.400 -31.585 1.00 21.44 ATOM 1474 N VAL 90 -34.499 47.202 -32.856 1.00 25.13 ATOM 1475 HN VAL 90 -34.369 48.175 -32.889 1.00 39.93 ATOM 1476 CA VAL 90 -34.458 46.433 -34.103 1.00 13.55 ATOM 1477 HA VAL 90 -35.327 45.787 -34.125 1.00 65.21 ATOM 1478 CB VAL 90 -34.512 47.363 -35.344 1.00 22.14 ATOM 1479 HB VAL 90 -33.618 47.974 -35.348 1.00 65.20 ATOM 1480 CG1 VAL 90 -34.531 46.548 -36.636 1.00 12.13 ATOM 1481 HG11 VAL 90 -33.650 45.925 -36.682 1.00 5.30 ATOM 1482 HG12 VAL 90 -34.541 47.216 -37.485 1.00 12.52 ATOM 1483 HG13 VAL 90 -35.415 45.926 -36.659 1.00 32.45 ATOM 1484 CG2 VAL 90 -35.722 48.296 -35.273 1.00 74.35 ATOM 1485 HG21 VAL 90 -36.629 47.709 -35.237 1.00 14.22 ATOM 1486 HG22 VAL 90 -35.742 48.931 -36.146 1.00 14.42 ATOM 1487 HG23 VAL 90 -35.656 48.909 -34.385 1.00 44.14 ATOM 1488 C VAL 90 -33.189 45.562 -34.160 1.00 71.34 ATOM 1489 O VAL 90 -32.102 46.055 -34.476 1.00 15.44 ATOM 1490 N GLN 91 -33.345 44.274 -33.833 1.00 54.24 ATOM 1491 HN GLN 91 -34.247 43.952 -33.627 1.00 39.93 ATOM 1492 HA GLN 91 -31.631 43.590 -32.883 1.00 41.13 ATOM 1493 CB GLN 91 -32.748 41.892 -33.553 1.00 60.01 ATOM 1494 HB1 GLN 91 -31.906 41.221 -33.461 1.00 39.93 ATOM 1495 HB2 GLN 91 -33.319 41.612 -34.428 1.00 11.24 ATOM 1496 CG GLN 91 -33.640 41.708 -32.327 1.00 30.54 ATOM 1497 HG1 GLN 91 -34.536 42.298 -32.458 1.00 39.93 ATOM 1498 HG2 GLN 91 -33.107 42.052 -31.451 1.00 51.41 ATOM 1499 CD GLN 91 -34.039 40.254 -32.113 1.00 43.35 ATOM 1500 OE1 GLN 91 -33.291 39.336 -32.442 1.00 24.23 ATOM 1501 NE2 GLN 91 -35.219 40.027 -31.572 1.00 51.24 ATOM 1502 HE21 GLN 91 -35.778 40.795 -31.333 1.00 42.02 ATOM 1503 HE22 GLN 91 -35.492 39.095 -31.443 1.00 12.10 ATOM 1504 CA GLN 91 -32.217 43.320 -33.750 1.00 53.13 ATOM 1505 C GLN 91 -31.300 43.355 -34.994 1.00 43.42 ATOM 1506 OT1 GLN 91 -31.710 42.845 -36.063 1.00 39.93 ATOM 1507 OT2 GLN 91 -30.164 43.871 -34.894 1.00 39.93 ATOM 1508 OH2 TIP3 1 -31.196 -29.694 17.899 1.00 0.00 WAT1 ATOM 1509 H1 TIP3 1 -31.822 -30.187 17.359 1.00 0.00 WAT1 ATOM 1510 H2 TIP3 1 -31.463 -29.880 18.803 1.00 0.00 WAT1 ATOM 1511 OH2 TIP3 2 -29.516 33.814 -31.070 1.00 0.00 WAT1 ATOM 1512 H1 TIP3 2 -28.726 33.356 -31.377 1.00 0.00 WAT1 ATOM 1513 H2 TIP3 2 -30.133 33.768 -31.837 1.00 0.00 WAT1 ATOM 1514 OH2 TIP3 3 -36.672 33.782 -33.598 1.00 0.00 WAT1 ATOM 1515 H1 TIP3 3 -36.085 33.221 -34.112 1.00 0.00 WAT1 ATOM 1516 H2 TIP3 3 -36.549 34.675 -33.984 1.00 0.00 WAT1 ATOM 1517 OH2 TIP3 4 -34.609 35.791 -37.655 1.00 0.00 WAT1 ATOM 1518 H1 TIP3 4 -35.384 36.391 -37.626 1.00 0.00 WAT1 ATOM 1519 H2 TIP3 4 -34.109 36.085 -38.442 1.00 0.00 WAT1 ATOM 1520 OH2 TIP3 5 -33.759 34.669 -35.364 1.00 0.00 WAT1 ATOM 1521 H1 TIP3 5 -34.032 34.979 -36.262 1.00 0.00 WAT1 ATOM 1522 H2 TIP3 5 -32.956 34.136 -35.532 1.00 0.00 WAT1 ATOM 1523 OH2 TIP3 6 -35.963 36.205 -34.716 1.00 0.00 WAT1 ATOM 1524 H1 TIP3 6 -35.112 35.823 -35.011 1.00 0.00 WAT1 ATOM 1525 H2 TIP3 6 -36.337 36.609 -35.528 1.00 0.00 WAT1 ATOM 1526 OH2 TIP3 7 -33.121 36.971 -39.722 1.00 0.00 WAT1 ATOM 1527 H1 TIP3 7 -33.881 37.598 -39.758 1.00 0.00 WAT1 ATOM 1528 H2 TIP3 7 -32.448 37.449 -39.190 1.00 0.00 WAT1 ATOM 1529 OH2 TIP3 8 -38.335 36.927 -31.103 1.00 0.00 WAT1 ATOM 1530 H1 TIP3 8 -37.411 37.089 -31.398 1.00 0.00 WAT1 ATOM 1531 H2 TIP3 8 -38.402 35.951 -31.073 1.00 0.00 WAT1 ATOM 1532 OH2 TIP3 9 -35.809 37.122 -32.107 1.00 0.00 WAT1 ATOM 1533 H1 TIP3 9 -35.914 36.968 -33.074 1.00 0.00 WAT1 ATOM 1534 H2 TIP3 9 -35.042 36.583 -31.865 1.00 0.00 WAT1 ATOM 1535 OH2 TIP3 10 -30.854 33.939 -33.467 1.00 0.00 WAT1 ATOM 1536 H1 TIP3 10 -30.187 34.590 -33.799 1.00 0.00 WAT1 ATOM 1537 H2 TIP3 10 -31.134 33.458 -34.272 1.00 0.00 WAT1 ATOM 1538 OH2 TIP3 11 -34.415 34.275 -20.890 1.00 0.00 WAT1 ATOM 1539 H1 TIP3 11 -35.046 34.545 -21.575 1.00 0.00 WAT1 ATOM 1540 H2 TIP3 11 -34.941 34.306 -20.061 1.00 0.00 WAT1 ATOM 1541 OH2 TIP3 12 -29.439 30.483 -20.755 1.00 0.00 WAT1 ATOM 1542 H1 TIP3 12 -28.819 30.887 -21.371 1.00 0.00 WAT1 ATOM 1543 H2 TIP3 12 -28.948 29.711 -20.393 1.00 0.00 WAT1 ATOM 1544 OH2 TIP3 13 -36.472 36.725 -23.702 1.00 0.00 WAT1 ATOM 1545 H1 TIP3 13 -36.729 36.265 -22.867 1.00 0.00 WAT1 ATOM 1546 H2 TIP3 13 -36.917 36.201 -24.406 1.00 0.00 WAT1 ATOM 1547 OH2 TIP3 14 -35.647 35.858 -26.902 1.00 0.00 WAT1 ATOM 1548 H1 TIP3 14 -36.485 35.680 -26.422 1.00 0.00 WAT1 ATOM 1549 H2 TIP3 14 -35.647 35.211 -27.623 1.00 0.00 WAT1 ATOM 1550 OH2 TIP3 15 -33.688 31.309 -18.558 1.00 0.00 WAT1 ATOM 1551 H1 TIP3 15 -34.192 30.660 -19.055 1.00 0.00 WAT1 ATOM 1552 H2 TIP3 15 -32.949 31.550 -19.159 1.00 0.00 WAT1 ATOM 1553 OH2 TIP3 16 -35.998 34.502 -18.674 1.00 0.00 WAT1 ATOM 1554 H1 TIP3 16 -36.417 35.242 -18.192 1.00 0.00 WAT1 ATOM 1555 H2 TIP3 16 -35.667 33.910 -17.968 1.00 0.00 WAT1 ATOM 1556 OH2 TIP3 17 -39.584 35.855 -22.642 1.00 0.00 WAT1 ATOM 1557 H1 TIP3 17 -40.224 35.369 -23.203 1.00 0.00 WAT1 ATOM 1558 H2 TIP3 17 -39.791 36.801 -22.812 1.00 0.00 WAT1 ATOM 1559 OH2 TIP3 18 -33.424 34.764 -32.575 1.00 0.00 WAT1 ATOM 1560 H1 TIP3 18 -33.751 34.791 -33.495 1.00 0.00 WAT1 ATOM 1561 H2 TIP3 18 -32.475 34.549 -32.670 1.00 0.00 WAT1 ATOM 1562 OH2 TIP3 19 -39.990 38.463 -23.424 1.00 0.00 WAT1 ATOM 1563 H1 TIP3 19 -40.483 39.107 -23.969 1.00 0.00 WAT1 ATOM 1564 H2 TIP3 19 -39.069 38.788 -23.448 1.00 0.00 WAT1 ATOM 1565 OH2 TIP3 20 -37.792 32.543 -26.131 1.00 0.00 WAT1 ATOM 1566 H1 TIP3 20 -38.082 31.629 -26.167 1.00 0.00 WAT1 ATOM 1567 H2 TIP3 20 -37.374 32.699 -27.009 1.00 0.00 WAT1 ATOM 1568 OH2 TIP3 21 -37.353 39.285 -23.645 1.00 0.00 WAT1 ATOM 1569 H1 TIP3 21 -37.154 39.742 -24.492 1.00 0.00 WAT1 ATOM 1570 H2 TIP3 21 -36.970 38.385 -23.762 1.00 0.00 WAT1 ATOM 1571 OH2 TIP3 22 -34.895 32.848 -16.699 1.00 0.00 WAT1 ATOM 1572 H1 TIP3 22 -34.438 32.285 -17.369 1.00 0.00 WAT1 ATOM 1573 H2 TIP3 22 -35.114 32.226 -15.973 1.00 0.00 WAT1 ATOM 1574 OH2 TIP3 23 -36.295 28.849 -14.885 1.00 0.00 WAT1 ATOM 1575 H1 TIP3 23 -36.168 29.819 -14.845 1.00 0.00 WAT1 ATOM 1576 H2 TIP3 23 -35.638 28.551 -15.519 1.00 0.00 WAT1 ATOM 1577 OH2 TIP3 24 -34.721 34.534 -30.138 1.00 0.00 WAT1 ATOM 1578 H1 TIP3 24 -34.287 34.483 -31.021 1.00 0.00 WAT1 ATOM 1579 H2 TIP3 24 -34.021 34.895 -29.551 1.00 0.00 WAT1 ATOM 1580 OH2 TIP3 25 -35.989 34.920 -15.301 1.00 0.00 WAT1 ATOM 1581 H1 TIP3 25 -35.711 34.771 -14.373 1.00 0.00 WAT1 ATOM 1582 H2 TIP3 25 -35.493 34.246 -15.809 1.00 0.00 WAT1 ATOM 1583 OH2 TIP3 26 -32.675 35.743 -28.732 1.00 0.00 WAT1 ATOM 1584 H1 TIP3 26 -32.575 36.401 -29.457 1.00 0.00 WAT1 ATOM 1585 H2 TIP3 26 -32.382 36.226 -27.935 1.00 0.00 WAT1 ATOM 1586 OH2 TIP3 27 -35.979 31.566 -14.482 1.00 0.00 WAT1 ATOM 1587 H1 TIP3 27 -35.911 31.402 -13.516 1.00 0.00 WAT1 ATOM 1588 H2 TIP3 27 -36.658 32.249 -14.555 1.00 0.00 WAT1 ATOM 1589 OH2 TIP3 28 -36.716 33.178 -28.580 1.00 0.00 WAT1 ATOM 1590 H1 TIP3 28 -35.825 33.309 -28.949 1.00 0.00 WAT1 ATOM 1591 H2 TIP3 28 -37.311 33.415 -29.316 1.00 0.00 WAT1 ATOM 1592 OH2 TIP3 29 -33.433 32.147 -12.162 1.00 0.00 WAT1 ATOM 1593 H1 TIP3 29 -34.013 32.868 -12.480 1.00 0.00 WAT1 ATOM 1594 H2 TIP3 29 -32.599 32.292 -12.624 1.00 0.00 WAT1 ATOM 1595 OH2 TIP3 30 -31.615 34.328 -16.867 1.00 0.00 WAT1 ATOM 1596 H1 TIP3 30 -31.621 34.401 -17.847 1.00 0.00 WAT1 ATOM 1597 H2 TIP3 30 -32.224 33.602 -16.683 1.00 0.00 WAT1 ATOM 1598 OH2 TIP3 31 -30.155 26.619 -11.271 1.00 0.00 WAT1 ATOM 1599 H1 TIP3 31 -30.936 26.318 -10.764 1.00 0.00 WAT1 ATOM 1600 H2 TIP3 31 -30.262 27.588 -11.309 1.00 0.00 WAT1 ATOM 1601 OH2 TIP3 32 -35.419 21.828 -7.382 1.00 0.00 WAT1 ATOM 1602 H1 TIP3 32 -34.586 21.371 -7.510 1.00 0.00 WAT1 ATOM 1603 H2 TIP3 32 -36.087 21.169 -7.586 1.00 0.00 WAT1 ATOM 1604 OH2 TIP3 33 -34.399 38.186 -12.347 1.00 0.00 WAT1 ATOM 1605 H1 TIP3 33 -33.950 37.411 -12.743 1.00 0.00 WAT1 ATOM 1606 H2 TIP3 33 -34.340 38.025 -11.384 1.00 0.00 WAT1 ATOM 1607 OH2 TIP3 34 -37.121 35.350 -21.477 1.00 0.00 WAT1 ATOM 1608 H1 TIP3 34 -37.176 35.068 -20.552 1.00 0.00 WAT1 ATOM 1609 H2 TIP3 34 -38.061 35.404 -21.773 1.00 0.00 WAT1 ATOM 1610 OH2 TIP3 35 -36.458 38.771 -18.371 1.00 0.00 WAT1 ATOM 1611 H1 TIP3 35 -36.766 39.441 -17.726 1.00 0.00 WAT1 ATOM 1612 H2 TIP3 35 -36.767 37.918 -17.996 1.00 0.00 WAT1 ATOM 1613 OH2 TIP3 36 -37.923 35.163 -25.418 1.00 0.00 WAT1 ATOM 1614 H1 TIP3 36 -38.783 35.278 -24.983 1.00 0.00 WAT1 ATOM 1615 H2 TIP3 36 -37.882 34.195 -25.613 1.00 0.00 WAT1 ATOM 1616 OH2 TIP3 37 -33.873 36.897 -23.026 1.00 0.00 WAT1 ATOM 1617 H1 TIP3 37 -33.366 36.575 -23.800 1.00 0.00 WAT1 ATOM 1618 H2 TIP3 37 -34.809 36.867 -23.331 1.00 0.00 WAT1 ATOM 1619 OH2 TIP3 38 -35.919 32.915 -6.411 1.00 0.00 WAT1 ATOM 1620 H1 TIP3 38 -35.882 32.371 -5.594 1.00 0.00 WAT1 ATOM 1621 H2 TIP3 38 -35.487 33.759 -6.149 1.00 0.00 WAT1 ATOM 1622 OH2 TIP3 39 -35.545 31.614 -4.057 1.00 0.00 WAT1 ATOM 1623 H1 TIP3 39 -35.013 31.919 -3.284 1.00 0.00 WAT1 ATOM 1624 H2 TIP3 39 -36.280 31.134 -3.661 1.00 0.00 WAT1 ATOM 1625 OH2 TIP3 40 -36.495 30.904 -11.854 1.00 0.00 WAT1 ATOM 1626 H1 TIP3 40 -37.208 30.262 -12.088 1.00 0.00 WAT1 ATOM 1627 H2 TIP3 40 -35.826 30.363 -11.416 1.00 0.00 WAT1 ATOM 1628 OH2 TIP3 41 -31.360 32.205 -4.021 1.00 0.00 WAT1 ATOM 1629 H1 TIP3 41 -31.240 31.964 -3.083 1.00 0.00 WAT1 ATOM 1630 H2 TIP3 41 -31.670 33.134 -3.989 1.00 0.00 WAT1 ATOM 1631 OH2 TIP3 42 -33.287 31.409 -5.743 1.00 0.00 WAT1 ATOM 1632 H1 TIP3 42 -32.527 31.712 -5.195 1.00 0.00 WAT1 ATOM 1633 H2 TIP3 42 -34.053 31.474 -5.145 1.00 0.00 WAT1 ATOM 1634 OH2 TIP3 43 -38.066 28.874 -12.809 1.00 0.00 WAT1 ATOM 1635 H1 TIP3 43 -38.846 28.336 -12.968 1.00 0.00 WAT1 ATOM 1636 H2 TIP3 43 -37.487 28.695 -13.584 1.00 0.00 WAT1 ATOM 1637 OH2 TIP3 44 -35.825 31.076 -8.415 1.00 0.00 WAT1 ATOM 1638 H1 TIP3 44 -35.767 31.668 -7.628 1.00 0.00 WAT1 ATOM 1639 H2 TIP3 44 -36.318 30.310 -8.098 1.00 0.00 WAT1 ATOM 1640 OH2 TIP3 45 -32.867 35.998 -12.787 1.00 0.00 WAT1 ATOM 1641 H1 TIP3 45 -32.243 35.941 -13.547 1.00 0.00 WAT1 ATOM 1642 H2 TIP3 45 -32.297 36.251 -12.031 1.00 0.00 WAT1 ATOM 1643 OH2 TIP3 46 -38.094 34.178 -7.525 1.00 0.00 WAT1 ATOM 1644 H1 TIP3 46 -37.372 33.596 -7.216 1.00 0.00 WAT1 ATOM 1645 H2 TIP3 46 -37.892 34.337 -8.453 1.00 0.00 WAT1 ATOM 1646 OH2 TIP3 47 -35.538 26.195 -5.924 1.00 0.00 WAT1 ATOM 1647 H1 TIP3 47 -36.467 26.032 -5.751 1.00 0.00 WAT1 ATOM 1648 H2 TIP3 47 -35.132 25.318 -5.899 1.00 0.00 WAT1 ATOM 1649 OH2 TIP3 48 -36.042 33.116 -10.230 1.00 0.00 WAT1 ATOM 1650 H1 TIP3 48 -36.068 32.450 -9.513 1.00 0.00 WAT1 ATOM 1651 H2 TIP3 48 -36.298 32.610 -11.028 1.00 0.00 WAT1 ATOM 1652 OH2 TIP3 49 -33.620 27.151 -7.478 1.00 0.00 WAT1 ATOM 1653 H1 TIP3 49 -33.291 28.034 -7.228 1.00 0.00 WAT1 ATOM 1654 H2 TIP3 49 -34.361 26.979 -6.850 1.00 0.00 WAT1 ATOM 1655 OH2 TIP3 50 -32.464 29.667 -7.554 1.00 0.00 WAT1 ATOM 1656 H1 TIP3 50 -32.837 30.030 -8.388 1.00 0.00 WAT1 ATOM 1657 H2 TIP3 50 -32.805 30.275 -6.853 1.00 0.00 WAT1 ATOM 1658 OH2 TIP3 51 -33.517 30.728 -9.859 1.00 0.00 WAT1 ATOM 1659 H1 TIP3 51 -34.369 30.921 -9.412 1.00 0.00 WAT1 ATOM 1660 H2 TIP3 51 -33.530 31.302 -10.663 1.00 0.00 WAT1 ATOM 1661 OH2 TIP3 52 -30.749 34.495 -1.227 1.00 0.00 WAT1 ATOM 1662 H1 TIP3 52 -30.027 35.068 -0.877 1.00 0.00 WAT1 ATOM 1663 H2 TIP3 52 -31.218 35.062 -1.855 1.00 0.00 WAT1 ATOM 1664 OH2 TIP3 53 -30.894 35.603 -14.543 1.00 0.00 WAT1 ATOM 1665 H1 TIP3 53 -30.475 34.852 -14.070 1.00 0.00 WAT1 ATOM 1666 H2 TIP3 53 -31.090 35.239 -15.438 1.00 0.00 WAT1 ATOM 1667 OH2 TIP3 54 -31.476 29.005 -10.685 1.00 0.00 WAT1 ATOM 1668 H1 TIP3 54 -31.997 28.211 -10.434 1.00 0.00 WAT1 ATOM 1669 H2 TIP3 54 -32.102 29.746 -10.565 1.00 0.00 WAT1 ATOM 1670 OH2 TIP3 55 -28.782 36.277 -0.504 1.00 0.00 WAT1 ATOM 1671 H1 TIP3 55 -28.015 36.476 0.079 1.00 0.00 WAT1 ATOM 1672 H2 TIP3 55 -28.876 37.076 -1.050 1.00 0.00 WAT1 ATOM 1673 OH2 TIP3 56 -27.289 30.151 1.006 1.00 0.00 WAT1 ATOM 1674 H1 TIP3 56 -26.627 29.542 0.608 1.00 0.00 WAT1 ATOM 1675 H2 TIP3 56 -27.702 30.592 0.232 1.00 0.00 WAT1 ATOM 1676 OH2 TIP3 57 -32.604 26.592 -9.909 1.00 0.00 WAT1 ATOM 1677 H1 TIP3 57 -32.875 26.715 -8.965 1.00 0.00 WAT1 ATOM 1678 H2 TIP3 57 -33.351 26.133 -10.308 1.00 0.00 WAT1 ATOM 1679 OH2 TIP3 58 -27.817 32.156 -4.118 1.00 0.00 WAT1 ATOM 1680 H1 TIP3 58 -26.914 32.505 -3.957 1.00 0.00 WAT1 ATOM 1681 H2 TIP3 58 -28.147 32.678 -4.871 1.00 0.00 WAT1 ATOM 1682 OH2 TIP3 59 -35.022 35.270 -5.343 1.00 0.00 WAT1 ATOM 1683 H1 TIP3 59 -34.768 36.121 -5.723 1.00 0.00 WAT1 ATOM 1684 H2 TIP3 59 -35.984 35.378 -5.135 1.00 0.00 WAT1 ATOM 1685 OH2 TIP3 60 -35.718 50.372 -45.878 1.00 0.00 WAT1 ATOM 1686 H1 TIP3 60 -34.965 50.476 -46.469 1.00 0.00 WAT1 ATOM 1687 H2 TIP3 60 -36.408 49.999 -46.435 1.00 0.00 WAT1 ATOM 1688 OH2 TIP3 61 -32.037 49.112 -39.605 1.00 0.00 WAT1 ATOM 1689 H1 TIP3 61 -32.092 48.133 -39.698 1.00 0.00 WAT1 ATOM 1690 H2 TIP3 61 -32.561 49.453 -40.352 1.00 0.00 WAT1 ATOM 1691 OH2 TIP3 62 -34.755 54.484 -39.110 1.00 0.00 WAT1 ATOM 1692 H1 TIP3 62 -34.639 54.895 -39.969 1.00 0.00 WAT1 ATOM 1693 H2 TIP3 62 -34.239 53.649 -39.169 1.00 0.00 WAT1 ATOM 1694 OH2 TIP3 63 -38.779 46.308 -37.346 1.00 0.00 WAT1 ATOM 1695 H1 TIP3 63 -39.673 46.014 -37.546 1.00 0.00 WAT1 ATOM 1696 H2 TIP3 63 -38.902 47.004 -36.662 1.00 0.00 WAT1 ATOM 1697 OH2 TIP3 64 -36.281 41.612 -38.715 1.00 0.00 WAT1 ATOM 1698 H1 TIP3 64 -37.004 41.973 -38.149 1.00 0.00 WAT1 ATOM 1699 H2 TIP3 64 -35.465 41.949 -38.297 1.00 0.00 WAT1 ATOM 1700 OH2 TIP3 65 -36.734 45.477 -39.101 1.00 0.00 WAT1 ATOM 1701 H1 TIP3 65 -37.282 45.114 -39.800 1.00 0.00 WAT1 ATOM 1702 H2 TIP3 65 -37.378 45.820 -38.444 1.00 0.00 WAT1 ATOM 1703 OH2 TIP3 66 -35.422 51.063 -43.241 1.00 0.00 WAT1 ATOM 1704 H1 TIP3 66 -36.307 51.347 -42.996 1.00 0.00 WAT1 ATOM 1705 H2 TIP3 66 -35.507 50.794 -44.183 1.00 0.00 WAT1 ATOM 1706 OH2 TIP3 67 -39.075 48.063 -35.242 1.00 0.00 WAT1 ATOM 1707 H1 TIP3 67 -38.248 48.472 -34.960 1.00 0.00 WAT1 ATOM 1708 H2 TIP3 67 -39.687 48.223 -34.494 1.00 0.00 WAT1 ATOM 1709 OH2 TIP3 68 -34.076 52.045 -35.245 1.00 0.00 WAT1 ATOM 1710 H1 TIP3 68 -34.547 52.755 -35.745 1.00 0.00 WAT1 ATOM 1711 H2 TIP3 68 -33.251 51.906 -35.754 1.00 0.00 WAT1 ATOM 1712 OH2 TIP3 69 -33.557 52.028 -39.167 1.00 0.00 WAT1 ATOM 1713 H1 TIP3 69 -34.147 51.420 -38.706 1.00 0.00 WAT1 ATOM 1714 H2 TIP3 69 -33.351 51.567 -40.011 1.00 0.00 WAT1 ATOM 1715 OH2 TIP3 70 -33.318 50.667 -41.551 1.00 0.00 WAT1 ATOM 1716 H1 TIP3 70 -34.137 50.744 -42.097 1.00 0.00 WAT1 ATOM 1717 H2 TIP3 70 -32.603 50.778 -42.186 1.00 0.00 WAT1 ATOM 1718 OH2 TIP3 71 -34.821 40.871 -43.068 1.00 0.00 WAT1 ATOM 1719 H1 TIP3 71 -33.974 40.394 -42.895 1.00 0.00 WAT1 ATOM 1720 H2 TIP3 71 -34.668 41.327 -43.899 1.00 0.00 WAT1 ATOM 1721 OH2 TIP3 72 -34.161 44.439 -39.251 1.00 0.00 WAT1 ATOM 1722 H1 TIP3 72 -35.039 44.880 -39.279 1.00 0.00 WAT1 ATOM 1723 H2 TIP3 72 -34.219 43.845 -38.473 1.00 0.00 WAT1 ATOM 1724 OH2 TIP3 73 -38.178 53.908 -35.759 1.00 0.00 WAT1 ATOM 1725 H1 TIP3 73 -38.769 54.666 -35.773 1.00 0.00 WAT1 ATOM 1726 H2 TIP3 73 -38.773 53.142 -35.576 1.00 0.00 WAT1 ATOM 1727 OH2 TIP3 74 -38.121 44.835 -34.202 1.00 0.00 WAT1 ATOM 1728 H1 TIP3 74 -38.698 45.297 -33.546 1.00 0.00 WAT1 ATOM 1729 H2 TIP3 74 -38.200 45.372 -35.001 1.00 0.00 WAT1 ATOM 1730 OH2 TIP3 75 -40.306 48.941 -32.938 1.00 0.00 WAT1 ATOM 1731 H1 TIP3 75 -40.880 49.270 -32.213 1.00 0.00 WAT1 ATOM 1732 H2 TIP3 75 -39.548 49.564 -32.941 1.00 0.00 WAT1 ATOM 1733 OH2 TIP3 76 -41.383 49.928 -30.612 1.00 0.00 WAT1 ATOM 1734 H1 TIP3 76 -41.546 49.058 -30.180 1.00 0.00 WAT1 ATOM 1735 H2 TIP3 76 -41.612 50.582 -29.922 1.00 0.00 WAT1 ATOM 1736 OH2 TIP3 77 -30.319 51.260 -29.364 1.00 0.00 WAT1 ATOM 1737 H1 TIP3 77 -31.163 50.791 -29.387 1.00 0.00 WAT1 ATOM 1738 H2 TIP3 77 -30.094 51.387 -30.313 1.00 0.00 WAT1 ATOM 1739 OH2 TIP3 78 -38.253 50.733 -32.934 1.00 0.00 WAT1 ATOM 1740 H1 TIP3 78 -37.526 51.331 -33.227 1.00 0.00 WAT1 ATOM 1741 H2 TIP3 78 -38.252 50.816 -31.956 1.00 0.00 WAT1 ATOM 1742 OH2 TIP3 79 -38.448 39.143 -32.881 1.00 0.00 WAT1 ATOM 1743 H1 TIP3 79 -38.236 39.807 -32.204 1.00 0.00 WAT1 ATOM 1744 H2 TIP3 79 -38.590 38.323 -32.375 1.00 0.00 WAT1 ATOM 1745 OH2 TIP3 80 -38.043 38.055 -41.677 1.00 0.00 WAT1 ATOM 1746 H1 TIP3 80 -37.747 37.625 -42.483 1.00 0.00 WAT1 ATOM 1747 H2 TIP3 80 -37.568 38.914 -41.674 1.00 0.00 WAT1 ATOM 1748 OH2 TIP3 81 -36.640 40.356 -41.123 1.00 0.00 WAT1 ATOM 1749 H1 TIP3 81 -36.028 40.648 -41.843 1.00 0.00 WAT1 ATOM 1750 H2 TIP3 81 -36.514 41.027 -40.414 1.00 0.00 WAT1 ATOM 1751 OH2 TIP3 82 -34.460 55.845 -28.767 1.00 0.00 WAT1 ATOM 1752 H1 TIP3 82 -34.397 55.662 -29.710 1.00 0.00 WAT1 ATOM 1753 H2 TIP3 82 -35.321 56.293 -28.668 1.00 0.00 WAT1 ATOM 1754 OH2 TIP3 83 -39.621 40.026 -36.990 1.00 0.00 WAT1 ATOM 1755 H1 TIP3 83 -40.506 39.657 -36.898 1.00 0.00 WAT1 ATOM 1756 H2 TIP3 83 -39.228 39.528 -37.745 1.00 0.00 WAT1 ATOM 1757 OH2 TIP3 84 -38.220 42.432 -36.962 1.00 0.00 WAT1 ATOM 1758 H1 TIP3 84 -38.803 41.644 -36.951 1.00 0.00 WAT1 ATOM 1759 H2 TIP3 84 -38.304 42.802 -36.074 1.00 0.00 WAT1 ATOM 1760 OH2 TIP3 85 -32.389 39.718 -42.734 1.00 0.00 WAT1 ATOM 1761 H1 TIP3 85 -31.652 39.573 -43.377 1.00 0.00 WAT1 ATOM 1762 H2 TIP3 85 -31.934 40.022 -41.917 1.00 0.00 WAT1 ATOM 1763 OH2 TIP3 86 -39.620 46.120 -29.621 1.00 0.00 WAT1 ATOM 1764 H1 TIP3 86 -39.790 45.246 -29.201 1.00 0.00 WAT1 ATOM 1765 H2 TIP3 86 -38.645 46.231 -29.554 1.00 0.00 WAT1 ATOM 1766 OH2 TIP3 87 -28.627 39.304 -40.473 1.00 0.00 WAT1 ATOM 1767 H1 TIP3 87 -29.523 39.605 -40.737 1.00 0.00 WAT1 ATOM 1768 H2 TIP3 87 -28.028 40.005 -40.819 1.00 0.00 WAT1 ATOM 1769 OH2 TIP3 88 -39.716 51.786 -35.050 1.00 0.00 WAT1 ATOM 1770 H1 TIP3 88 -40.300 51.076 -35.335 1.00 0.00 WAT1 ATOM 1771 H2 TIP3 88 -39.263 51.422 -34.262 1.00 0.00 WAT1 ATOM 1772 OH2 TIP3 89 -36.503 52.574 -33.940 1.00 0.00 WAT1 ATOM 1773 H1 TIP3 89 -35.629 52.319 -34.305 1.00 0.00 WAT1 ATOM 1774 H2 TIP3 89 -36.918 53.096 -34.657 1.00 0.00 WAT1 ATOM 1775 OH2 TIP3 90 -32.184 46.372 -39.627 1.00 0.00 WAT1 ATOM 1776 H1 TIP3 90 -31.790 46.149 -38.757 1.00 0.00 WAT1 ATOM 1777 H2 TIP3 90 -32.978 45.805 -39.678 1.00 0.00 WAT1 ATOM 1778 OH2 TIP3 91 -37.834 41.242 -30.844 1.00 0.00 WAT1 ATOM 1779 H1 TIP3 91 -37.581 42.061 -31.332 1.00 0.00 WAT1 ATOM 1780 H2 TIP3 91 -38.745 41.418 -30.539 1.00 0.00 WAT1 ATOM 1781 OH2 TIP3 92 -38.269 38.825 -39.047 1.00 0.00 WAT1 ATOM 1782 H1 TIP3 92 -37.766 39.610 -39.319 1.00 0.00 WAT1 ATOM 1783 H2 TIP3 92 -38.362 38.305 -39.877 1.00 0.00 WAT1 ATOM 1784 OH2 TIP3 93 -36.821 43.481 -32.155 1.00 0.00 WAT1 ATOM 1785 H1 TIP3 93 -36.234 44.196 -31.844 1.00 0.00 WAT1 ATOM 1786 H2 TIP3 93 -37.314 43.885 -32.902 1.00 0.00 WAT1 ATOM 1787 OH2 TIP3 94 -31.883 51.854 -36.908 1.00 0.00 WAT1 ATOM 1788 H1 TIP3 94 -31.220 51.202 -37.231 1.00 0.00 WAT1 ATOM 1789 H2 TIP3 94 -32.378 52.106 -37.714 1.00 0.00 WAT1 ATOM 1790 OH2 TIP3 95 -41.727 51.248 -28.183 1.00 0.00 WAT1 ATOM 1791 H1 TIP3 95 -41.153 50.795 -27.523 1.00 0.00 WAT1 ATOM 1792 H2 TIP3 95 -41.244 52.085 -28.380 1.00 0.00 WAT1 ATOM 1793 OH2 TIP3 96 -41.836 47.667 -29.211 1.00 0.00 WAT1 ATOM 1794 H1 TIP3 96 -41.906 47.800 -28.238 1.00 0.00 WAT1 ATOM 1795 H2 TIP3 96 -41.021 47.122 -29.322 1.00 0.00 WAT1 ATOM 1796 OH2 TIP3 97 -39.589 46.293 -32.413 1.00 0.00 WAT1 ATOM 1797 H1 TIP3 97 -39.938 47.195 -32.550 1.00 0.00 WAT1 ATOM 1798 H2 TIP3 97 -39.664 46.152 -31.448 1.00 0.00 WAT1 ATOM 1799 OH2 TIP3 98 -40.344 43.656 -28.553 1.00 0.00 WAT1 ATOM 1800 H1 TIP3 98 -40.188 42.718 -28.785 1.00 0.00 WAT1 ATOM 1801 H2 TIP3 98 -41.319 43.740 -28.552 1.00 0.00 WAT1 ATOM 1802 OH2 TIP3 99 -39.509 38.404 -29.161 1.00 0.00 WAT1 ATOM 1803 H1 TIP3 99 -40.305 37.929 -28.893 1.00 0.00 WAT1 ATOM 1804 H2 TIP3 99 -39.112 37.833 -29.863 1.00 0.00 WAT1 ATOM 1805 OH2 TIP3 100 -40.339 40.998 -29.344 1.00 0.00 WAT1 ATOM 1806 H1 TIP3 100 -41.240 40.832 -28.989 1.00 0.00 WAT1 ATOM 1807 H2 TIP3 100 -39.911 40.119 -29.315 1.00 0.00 WAT1 ATOM 1808 OH2 TIP3 101 -30.394 51.097 -32.168 1.00 0.00 WAT1 ATOM 1809 H1 TIP3 101 -30.373 51.665 -32.963 1.00 0.00 WAT1 ATOM 1810 H2 TIP3 101 -30.615 50.219 -32.513 1.00 0.00 WAT1 ATOM 1811 OH2 TIP3 102 -31.827 43.018 -39.765 1.00 0.00 WAT1 ATOM 1812 H1 TIP3 102 -31.296 43.750 -40.095 1.00 0.00 WAT1 ATOM 1813 H2 TIP3 102 -32.723 43.402 -39.663 1.00 0.00 WAT1 ATOM 1814 OH2 TIP3 103 -33.536 50.012 -33.387 1.00 0.00 WAT1 ATOM 1815 H1 TIP3 103 -32.643 49.671 -33.601 1.00 0.00 WAT1 ATOM 1816 H2 TIP3 103 -33.679 50.735 -34.030 1.00 0.00 WAT1 ATOM 1817 OH2 TIP3 104 -34.186 42.705 -37.140 1.00 0.00 WAT1 ATOM 1818 H1 TIP3 104 -33.241 42.725 -36.839 1.00 0.00 WAT1 ATOM 1819 H2 TIP3 104 -34.685 42.546 -36.333 1.00 0.00 WAT1 ATOM 1820 OH2 TIP3 105 -30.277 38.981 -44.231 1.00 0.00 WAT1 ATOM 1821 H1 TIP3 105 -30.136 38.033 -44.065 1.00 0.00 WAT1 ATOM 1822 H2 TIP3 105 -29.635 39.195 -44.940 1.00 0.00 WAT1 ATOM 1823 OH2 TIP3 106 -31.990 36.990 -42.208 1.00 0.00 WAT1 ATOM 1824 H1 TIP3 106 -32.405 36.821 -41.335 1.00 0.00 WAT1 ATOM 1825 H2 TIP3 106 -32.279 37.894 -42.436 1.00 0.00 WAT1 ATOM 1826 OH2 TIP3 107 -38.778 50.804 -30.199 1.00 0.00 WAT1 ATOM 1827 H1 TIP3 107 -38.700 50.559 -29.239 1.00 0.00 WAT1 ATOM 1828 H2 TIP3 107 -39.651 50.445 -30.462 1.00 0.00 WAT1 ATOM 1829 OH2 TIP3 108 -37.385 56.980 -31.820 1.00 0.00 WAT1 ATOM 1830 H1 TIP3 108 -37.407 57.282 -32.731 1.00 0.00 WAT1 ATOM 1831 H2 TIP3 108 -37.107 56.032 -31.886 1.00 0.00 WAT1 ATOM 1832 OH2 TIP3 109 -35.542 53.846 -36.597 1.00 0.00 WAT1 ATOM 1833 H1 TIP3 109 -35.320 54.229 -37.474 1.00 0.00 WAT1 ATOM 1834 H2 TIP3 109 -36.507 53.976 -36.516 1.00 0.00 WAT1 ATOM 1835 OH2 TIP3 110 -35.023 38.872 -39.465 1.00 0.00 WAT1 ATOM 1836 H1 TIP3 110 -35.167 39.510 -38.755 1.00 0.00 WAT1 ATOM 1837 H2 TIP3 110 -35.575 39.204 -40.198 1.00 0.00 WAT1 ATOM 1838 OH2 TIP3 111 -36.753 37.488 -37.062 1.00 0.00 WAT1 ATOM 1839 H1 TIP3 111 -36.851 38.245 -36.440 1.00 0.00 WAT1 ATOM 1840 H2 TIP3 111 -37.237 37.774 -37.860 1.00 0.00 WAT1 ATOM 1841 OH2 TIP3 112 -31.673 38.704 -38.206 1.00 0.00 WAT1 ATOM 1842 H1 TIP3 112 -32.062 38.929 -37.346 1.00 0.00 WAT1 ATOM 1843 H2 TIP3 112 -30.710 38.791 -38.059 1.00 0.00 WAT1 ATOM 1844 OH2 TIP3 113 -37.408 39.537 -35.393 1.00 0.00 WAT1 ATOM 1845 H1 TIP3 113 -38.219 39.793 -35.869 1.00 0.00 WAT1 ATOM 1846 H2 TIP3 113 -37.713 39.369 -34.473 1.00 0.00 WAT1 ATOM 1847 OH2 TIP3 114 -37.411 34.293 -31.043 1.00 0.00 WAT1 ATOM 1848 H1 TIP3 114 -36.486 34.505 -30.808 1.00 0.00 WAT1 ATOM 1849 H2 TIP3 114 -37.353 33.972 -31.972 1.00 0.00 WAT1 ATOM 1850 OH2 TIP3 115 -36.711 52.633 -29.858 1.00 0.00 WAT1 ATOM 1851 H1 TIP3 115 -37.393 51.997 -30.147 1.00 0.00 WAT1 ATOM 1852 H2 TIP3 115 -36.248 52.163 -29.124 1.00 0.00 WAT1 ATOM 1853 OH2 TIP3 116 -36.831 48.427 -20.200 1.00 0.00 WAT1 ATOM 1854 H1 TIP3 116 -36.731 49.258 -19.699 1.00 0.00 WAT1 ATOM 1855 H2 TIP3 116 -36.678 47.725 -19.530 1.00 0.00 WAT1 ATOM 1856 OH2 TIP3 117 -39.453 53.362 -22.707 1.00 0.00 WAT1 ATOM 1857 H1 TIP3 117 -39.675 53.143 -23.638 1.00 0.00 WAT1 ATOM 1858 H2 TIP3 117 -40.329 53.496 -22.280 1.00 0.00 WAT1 ATOM 1859 OH2 TIP3 118 -40.765 46.234 -20.440 1.00 0.00 WAT1 ATOM 1860 H1 TIP3 118 -39.966 46.555 -20.910 1.00 0.00 WAT1 ATOM 1861 H2 TIP3 118 -41.489 46.794 -20.797 1.00 0.00 WAT1 ATOM 1862 OH2 TIP3 119 -42.277 44.222 -21.692 1.00 0.00 WAT1 ATOM 1863 H1 TIP3 119 -43.108 44.473 -21.278 1.00 0.00 WAT1 ATOM 1864 H2 TIP3 119 -41.610 44.782 -21.246 1.00 0.00 WAT1 ATOM 1865 OH2 TIP3 120 -41.201 34.664 -24.583 1.00 0.00 WAT1 ATOM 1866 H1 TIP3 120 -41.602 35.054 -25.392 1.00 0.00 WAT1 ATOM 1867 H2 TIP3 120 -41.638 33.812 -24.492 1.00 0.00 WAT1 ATOM 1868 OH2 TIP3 121 -32.341 48.048 -17.144 1.00 0.00 WAT1 ATOM 1869 H1 TIP3 121 -33.224 48.496 -17.156 1.00 0.00 WAT1 ATOM 1870 H2 TIP3 121 -32.555 47.108 -17.340 1.00 0.00 WAT1 ATOM 1871 OH2 TIP3 122 -33.134 45.514 -17.678 1.00 0.00 WAT1 ATOM 1872 H1 TIP3 122 -33.884 45.094 -17.206 1.00 0.00 WAT1 ATOM 1873 H2 TIP3 122 -33.463 45.613 -18.595 1.00 0.00 WAT1 ATOM 1874 OH2 TIP3 123 -42.841 46.308 -24.507 1.00 0.00 WAT1 ATOM 1875 H1 TIP3 123 -43.806 46.174 -24.649 1.00 0.00 WAT1 ATOM 1876 H2 TIP3 123 -42.470 45.402 -24.511 1.00 0.00 WAT1 ATOM 1877 OH2 TIP3 124 -36.217 54.062 -19.835 1.00 0.00 WAT1 ATOM 1878 H1 TIP3 124 -35.812 53.581 -19.082 1.00 0.00 WAT1 ATOM 1879 H2 TIP3 124 -35.621 53.870 -20.588 1.00 0.00 WAT1 ATOM 1880 OH2 TIP3 125 -42.071 53.662 -21.936 1.00 0.00 WAT1 ATOM 1881 H1 TIP3 125 -42.867 54.196 -21.898 1.00 0.00 WAT1 ATOM 1882 H2 TIP3 125 -42.376 52.799 -22.291 1.00 0.00 WAT1 ATOM 1883 OH2 TIP3 126 -32.522 39.477 -28.425 1.00 0.00 WAT1 ATOM 1884 H1 TIP3 126 -33.430 39.226 -28.133 1.00 0.00 WAT1 ATOM 1885 H2 TIP3 126 -32.388 38.958 -29.250 1.00 0.00 WAT1 ATOM 1886 OH2 TIP3 127 -45.544 46.333 -25.104 1.00 0.00 WAT1 ATOM 1887 H1 TIP3 127 -45.401 46.861 -25.920 1.00 0.00 WAT1 ATOM 1888 H2 TIP3 127 -46.466 46.484 -24.884 1.00 0.00 WAT1 ATOM 1889 OH2 TIP3 128 -34.245 50.140 -25.829 1.00 0.00 WAT1 ATOM 1890 H1 TIP3 128 -33.265 50.151 -25.726 1.00 0.00 WAT1 ATOM 1891 H2 TIP3 128 -34.451 49.196 -25.995 1.00 0.00 WAT1 ATOM 1892 OH2 TIP3 129 -33.354 53.702 -15.386 1.00 0.00 WAT1 ATOM 1893 H1 TIP3 129 -32.436 53.698 -15.033 1.00 0.00 WAT1 ATOM 1894 H2 TIP3 129 -33.512 54.639 -15.621 1.00 0.00 WAT1 ATOM 1895 OH2 TIP3 130 -40.608 49.558 -23.257 1.00 0.00 WAT1 ATOM 1896 H1 TIP3 130 -40.448 49.645 -24.223 1.00 0.00 WAT1 ATOM 1897 H2 TIP3 130 -41.087 50.373 -23.024 1.00 0.00 WAT1 ATOM 1898 OH2 TIP3 131 -37.605 54.498 -28.054 1.00 0.00 WAT1 ATOM 1899 H1 TIP3 131 -37.168 53.918 -28.715 1.00 0.00 WAT1 ATOM 1900 H2 TIP3 131 -37.426 55.407 -28.378 1.00 0.00 WAT1 ATOM 1901 OH2 TIP3 132 -37.413 53.136 -25.689 1.00 0.00 WAT1 ATOM 1902 H1 TIP3 132 -37.421 53.670 -26.516 1.00 0.00 WAT1 ATOM 1903 H2 TIP3 132 -38.354 52.896 -25.555 1.00 0.00 WAT1 ATOM 1904 OH2 TIP3 133 -37.307 36.416 -17.133 1.00 0.00 WAT1 ATOM 1905 H1 TIP3 133 -36.812 36.010 -16.379 1.00 0.00 WAT1 ATOM 1906 H2 TIP3 133 -38.233 36.275 -16.907 1.00 0.00 WAT1 ATOM 1907 OH2 TIP3 134 -36.734 40.004 -21.107 1.00 0.00 WAT1 ATOM 1908 H1 TIP3 134 -37.422 39.534 -20.617 1.00 0.00 WAT1 ATOM 1909 H2 TIP3 134 -36.950 39.830 -22.053 1.00 0.00 WAT1 ATOM 1910 OH2 TIP3 135 -37.225 39.732 -28.542 1.00 0.00 WAT1 ATOM 1911 H1 TIP3 135 -38.039 39.186 -28.622 1.00 0.00 WAT1 ATOM 1912 H2 TIP3 135 -37.259 40.322 -29.323 1.00 0.00 WAT1 ATOM 1913 OH2 TIP3 136 -42.595 40.149 -28.053 1.00 0.00 WAT1 ATOM 1914 H1 TIP3 136 -42.725 40.922 -27.465 1.00 0.00 WAT1 ATOM 1915 H2 TIP3 136 -42.760 39.384 -27.475 1.00 0.00 WAT1 ATOM 1916 OH2 TIP3 137 -36.618 46.683 -18.075 1.00 0.00 WAT1 ATOM 1917 H1 TIP3 137 -37.589 46.519 -18.019 1.00 0.00 WAT1 ATOM 1918 H2 TIP3 137 -36.220 45.877 -17.687 1.00 0.00 WAT1 ATOM 1919 OH2 TIP3 138 -39.099 45.090 -23.289 1.00 0.00 WAT1 ATOM 1920 H1 TIP3 138 -38.624 44.428 -22.748 1.00 0.00 WAT1 ATOM 1921 H2 TIP3 138 -38.983 45.930 -22.798 1.00 0.00 WAT1 ATOM 1922 OH2 TIP3 139 -42.706 42.217 -26.259 1.00 0.00 WAT1 ATOM 1923 H1 TIP3 139 -42.483 42.836 -25.529 1.00 0.00 WAT1 ATOM 1924 H2 TIP3 139 -42.920 42.806 -27.016 1.00 0.00 WAT1 ATOM 1925 OH2 TIP3 140 -43.085 43.533 -28.608 1.00 0.00 WAT1 ATOM 1926 H1 TIP3 140 -43.492 44.425 -28.745 1.00 0.00 WAT1 ATOM 1927 H2 TIP3 140 -43.388 43.018 -29.366 1.00 0.00 WAT1 ATOM 1928 OH2 TIP3 141 -38.821 47.504 -21.904 1.00 0.00 WAT1 ATOM 1929 H1 TIP3 141 -39.263 48.287 -22.285 1.00 0.00 WAT1 ATOM 1930 H2 TIP3 141 -38.093 47.880 -21.354 1.00 0.00 WAT1 ATOM 1931 OH2 TIP3 142 -35.139 44.017 -21.669 1.00 0.00 WAT1 ATOM 1932 H1 TIP3 142 -35.023 44.546 -22.485 1.00 0.00 WAT1 ATOM 1933 H2 TIP3 142 -34.863 44.627 -20.956 1.00 0.00 WAT1 ATOM 1934 OH2 TIP3 143 -36.556 50.695 -18.410 1.00 0.00 WAT1 ATOM 1935 H1 TIP3 143 -37.428 51.089 -18.290 1.00 0.00 WAT1 ATOM 1936 H2 TIP3 143 -35.932 51.438 -18.248 1.00 0.00 WAT1 ATOM 1937 OH2 TIP3 144 -35.568 58.046 -15.359 1.00 0.00 WAT1 ATOM 1938 H1 TIP3 144 -36.055 58.160 -16.195 1.00 0.00 WAT1 ATOM 1939 H2 TIP3 144 -36.240 58.129 -14.679 1.00 0.00 WAT1 ATOM 1940 OH2 TIP3 145 -30.370 41.264 -28.497 1.00 0.00 WAT1 ATOM 1941 H1 TIP3 145 -30.090 41.224 -29.433 1.00 0.00 WAT1 ATOM 1942 H2 TIP3 145 -31.128 40.646 -28.449 1.00 0.00 WAT1 ATOM 1943 OH2 TIP3 146 -30.431 47.049 -12.269 1.00 0.00 WAT1 ATOM 1944 H1 TIP3 146 -30.452 46.108 -12.049 1.00 0.00 WAT1 ATOM 1945 H2 TIP3 146 -30.690 47.083 -13.215 1.00 0.00 WAT1 ATOM 1946 OH2 TIP3 147 -42.964 51.318 -23.044 1.00 0.00 WAT1 ATOM 1947 H1 TIP3 147 -43.557 51.610 -23.779 1.00 0.00 WAT1 ATOM 1948 H2 TIP3 147 -43.347 50.482 -22.752 1.00 0.00 WAT1 ATOM 1949 OH2 TIP3 148 -42.325 47.689 -22.172 1.00 0.00 WAT1 ATOM 1950 H1 TIP3 148 -41.718 48.359 -22.544 1.00 0.00 WAT1 ATOM 1951 H2 TIP3 148 -42.584 47.148 -22.946 1.00 0.00 WAT1 ATOM 1952 OH2 TIP3 149 -44.890 52.080 -24.840 1.00 0.00 WAT1 ATOM 1953 H1 TIP3 149 -45.043 51.907 -25.798 1.00 0.00 WAT1 ATOM 1954 H2 TIP3 149 -45.696 52.512 -24.552 1.00 0.00 WAT1 ATOM 1955 OH2 TIP3 150 -34.927 48.740 -17.336 1.00 0.00 WAT1 ATOM 1956 H1 TIP3 150 -35.472 47.942 -17.496 1.00 0.00 WAT1 ATOM 1957 H2 TIP3 150 -35.493 49.477 -17.635 1.00 0.00 WAT1 ATOM 1958 OH2 TIP3 151 -33.769 56.253 -16.372 1.00 0.00 WAT1 ATOM 1959 H1 TIP3 151 -34.554 55.964 -16.900 1.00 0.00 WAT1 ATOM 1960 H2 TIP3 151 -34.136 56.925 -15.756 1.00 0.00 WAT1 ATOM 1961 OH2 TIP3 152 -31.546 49.991 -25.612 1.00 0.00 WAT1 ATOM 1962 H1 TIP3 152 -31.265 50.813 -26.065 1.00 0.00 WAT1 ATOM 1963 H2 TIP3 152 -30.741 49.678 -25.165 1.00 0.00 WAT1 ATOM 1964 OH2 TIP3 153 -44.827 47.861 -27.241 1.00 0.00 WAT1 ATOM 1965 H1 TIP3 153 -44.947 48.691 -27.743 1.00 0.00 WAT1 ATOM 1966 H2 TIP3 153 -43.901 47.914 -26.916 1.00 0.00 WAT1 ATOM 1967 OH2 TIP3 154 -34.916 41.718 -20.077 1.00 0.00 WAT1 ATOM 1968 H1 TIP3 154 -35.505 41.087 -20.546 1.00 0.00 WAT1 ATOM 1969 H2 TIP3 154 -34.847 42.478 -20.687 1.00 0.00 WAT1 ATOM 1970 OH2 TIP3 155 -37.116 40.725 -25.972 1.00 0.00 WAT1 ATOM 1971 H1 TIP3 155 -37.198 40.258 -26.831 1.00 0.00 WAT1 ATOM 1972 H2 TIP3 155 -36.776 41.613 -26.217 1.00 0.00 WAT1 ATOM 1973 OH2 TIP3 156 -41.605 43.781 -24.297 1.00 0.00 WAT1 ATOM 1974 H1 TIP3 156 -41.897 43.866 -23.358 1.00 0.00 WAT1 ATOM 1975 H2 TIP3 156 -40.669 43.519 -24.229 1.00 0.00 WAT1 ATOM 1976 OH2 TIP3 157 -36.851 42.456 -18.306 1.00 0.00 WAT1 ATOM 1977 H1 TIP3 157 -37.008 41.713 -17.692 1.00 0.00 WAT1 ATOM 1978 H2 TIP3 157 -36.140 42.132 -18.899 1.00 0.00 WAT1 ATOM 1979 OH2 TIP3 158 -39.001 42.045 -24.403 1.00 0.00 WAT1 ATOM 1980 H1 TIP3 158 -38.507 42.388 -23.627 1.00 0.00 WAT1 ATOM 1981 H2 TIP3 158 -38.339 41.516 -24.893 1.00 0.00 WAT1 ATOM 1982 OH2 TIP3 159 -40.134 52.631 -25.274 1.00 0.00 WAT1 ATOM 1983 H1 TIP3 159 -40.851 53.057 -25.759 1.00 0.00 WAT1 ATOM 1984 H2 TIP3 159 -40.194 51.680 -25.542 1.00 0.00 WAT1 ATOM 1985 OH2 TIP3 160 -42.620 38.294 -25.944 1.00 0.00 WAT1 ATOM 1986 H1 TIP3 160 -43.070 38.143 -25.103 1.00 0.00 WAT1 ATOM 1987 H2 TIP3 160 -41.897 38.924 -25.717 1.00 0.00 WAT1 ATOM 1988 OH2 TIP3 161 -44.094 50.055 -28.783 1.00 0.00 WAT1 ATOM 1989 H1 TIP3 161 -43.307 50.537 -28.434 1.00 0.00 WAT1 ATOM 1990 H2 TIP3 161 -43.776 49.644 -29.596 1.00 0.00 WAT1 ATOM 1991 OH2 TIP3 162 -33.057 53.948 -19.510 1.00 0.00 WAT1 ATOM 1992 H1 TIP3 162 -33.081 54.874 -19.835 1.00 0.00 WAT1 ATOM 1993 H2 TIP3 162 -33.280 53.420 -20.297 1.00 0.00 WAT1 ATOM 1994 OH2 TIP3 163 -36.179 51.089 -27.738 1.00 0.00 WAT1 ATOM 1995 H1 TIP3 163 -37.099 50.840 -27.496 1.00 0.00 WAT1 ATOM 1996 H2 TIP3 163 -35.630 50.683 -27.048 1.00 0.00 WAT1 ATOM 1997 OH2 TIP3 164 -44.034 45.996 -29.107 1.00 0.00 WAT1 ATOM 1998 H1 TIP3 164 -44.553 46.533 -28.477 1.00 0.00 WAT1 ATOM 1999 H2 TIP3 164 -43.278 46.571 -29.341 1.00 0.00 WAT1 ATOM 2000 OH2 TIP3 165 -30.713 47.586 -14.987 1.00 0.00 WAT1 ATOM 2001 H1 TIP3 165 -30.352 48.488 -14.812 1.00 0.00 WAT1 ATOM 2002 H2 TIP3 165 -31.437 47.743 -15.628 1.00 0.00 WAT1 ATOM 2003 OH2 TIP3 166 -42.194 48.051 -26.519 1.00 0.00 WAT1 ATOM 2004 H1 TIP3 166 -41.577 48.772 -26.246 1.00 0.00 WAT1 ATOM 2005 H2 TIP3 166 -42.253 47.471 -25.726 1.00 0.00 WAT1 ATOM 2006 OH2 TIP3 167 -39.025 44.757 -25.982 1.00 0.00 WAT1 ATOM 2007 H1 TIP3 167 -39.835 44.467 -26.429 1.00 0.00 WAT1 ATOM 2008 H2 TIP3 167 -39.295 44.883 -25.046 1.00 0.00 WAT1 ATOM 2009 OH2 TIP3 168 -39.280 46.018 -18.085 1.00 0.00 WAT1 ATOM 2010 H1 TIP3 168 -39.467 45.098 -17.883 1.00 0.00 WAT1 ATOM 2011 H2 TIP3 168 -39.870 46.221 -18.839 1.00 0.00 WAT1 ATOM 2012 OH2 TIP3 169 -34.253 41.540 -13.621 1.00 0.00 WAT1 ATOM 2013 H1 TIP3 169 -33.979 41.530 -12.698 1.00 0.00 WAT1 ATOM 2014 H2 TIP3 169 -33.413 41.649 -14.120 1.00 0.00 WAT1 ATOM 2015 OH2 TIP3 170 -35.544 44.391 -16.947 1.00 0.00 WAT1 ATOM 2016 H1 TIP3 170 -36.030 43.752 -17.523 1.00 0.00 WAT1 ATOM 2017 H2 TIP3 170 -35.602 44.003 -16.066 1.00 0.00 WAT1 ATOM 2018 OH2 TIP3 171 -37.277 40.497 -16.405 1.00 0.00 WAT1 ATOM 2019 H1 TIP3 171 -38.091 40.750 -15.957 1.00 0.00 WAT1 ATOM 2020 H2 TIP3 171 -36.715 40.117 -15.683 1.00 0.00 WAT1 ATOM 2021 OH2 TIP3 172 -35.873 39.494 -14.331 1.00 0.00 WAT1 ATOM 2022 H1 TIP3 172 -35.566 38.842 -13.671 1.00 0.00 WAT1 ATOM 2023 H2 TIP3 172 -35.356 40.303 -14.119 1.00 0.00 WAT1 ATOM 2024 OH2 TIP3 173 -45.768 51.735 -27.407 1.00 0.00 WAT1 ATOM 2025 H1 TIP3 173 -46.392 52.107 -28.064 1.00 0.00 WAT1 ATOM 2026 H2 TIP3 173 -45.227 51.105 -27.923 1.00 0.00 WAT1 ATOM 2027 OH2 TIP3 174 -30.352 49.714 -18.177 1.00 0.00 WAT1 ATOM 2028 H1 TIP3 174 -30.904 49.840 -18.957 1.00 0.00 WAT1 ATOM 2029 H2 TIP3 174 -30.908 49.173 -17.579 1.00 0.00 WAT1 ATOM 2030 OH2 TIP3 175 -29.783 50.131 -14.747 1.00 0.00 WAT1 ATOM 2031 H1 TIP3 175 -29.734 50.687 -13.940 1.00 0.00 WAT1 ATOM 2032 H2 TIP3 175 -29.676 50.758 -15.471 1.00 0.00 WAT1 ATOM 2033 OH2 TIP3 176 -33.653 51.481 -13.825 1.00 0.00 WAT1 ATOM 2034 H1 TIP3 176 -33.609 52.324 -14.327 1.00 0.00 WAT1 ATOM 2035 H2 TIP3 176 -34.034 50.855 -14.449 1.00 0.00 WAT1 ATOM 2036 OH2 TIP3 177 -34.864 52.812 -17.834 1.00 0.00 WAT1 ATOM 2037 H1 TIP3 177 -34.088 53.151 -18.335 1.00 0.00 WAT1 ATOM 2038 H2 TIP3 177 -34.669 53.052 -16.911 1.00 0.00 WAT1 ATOM 2039 OH2 TIP3 178 -36.795 52.694 -23.040 1.00 0.00 WAT1 ATOM 2040 H1 TIP3 178 -37.709 52.832 -22.716 1.00 0.00 WAT1 ATOM 2041 H2 TIP3 178 -36.864 52.841 -24.005 1.00 0.00 WAT1 ATOM 2042 OH2 TIP3 179 -36.025 55.816 -17.742 1.00 0.00 WAT1 ATOM 2043 H1 TIP3 179 -36.201 55.289 -18.547 1.00 0.00 WAT1 ATOM 2044 H2 TIP3 179 -36.576 56.605 -17.849 1.00 0.00 WAT1 ATOM 2045 OH2 TIP3 180 -36.793 58.575 -17.856 1.00 0.00 WAT1 ATOM 2046 H1 TIP3 180 -37.363 58.296 -18.618 1.00 0.00 WAT1 ATOM 2047 H2 TIP3 180 -36.939 59.527 -17.791 1.00 0.00 WAT1 ATOM 2048 OH2 TIP3 181 -37.640 43.025 -22.185 1.00 0.00 WAT1 ATOM 2049 H1 TIP3 181 -37.770 42.403 -21.457 1.00 0.00 WAT1 ATOM 2050 H2 TIP3 181 -36.740 43.388 -22.030 1.00 0.00 WAT1 ATOM 2051 OH2 TIP3 182 -42.548 35.685 -26.781 1.00 0.00 WAT1 ATOM 2052 H1 TIP3 182 -43.252 35.585 -27.427 1.00 0.00 WAT1 ATOM 2053 H2 TIP3 182 -42.543 36.645 -26.574 1.00 0.00 WAT1 ATOM 2054 OH2 TIP3 183 -34.924 38.452 -27.739 1.00 0.00 WAT1 ATOM 2055 H1 TIP3 183 -35.764 38.832 -28.071 1.00 0.00 WAT1 ATOM 2056 H2 TIP3 183 -35.170 37.551 -27.443 1.00 0.00 WAT1 ATOM 2057 OH2 TIP3 184 -41.054 40.375 -25.096 1.00 0.00 WAT1 ATOM 2058 H1 TIP3 184 -40.319 40.962 -24.808 1.00 0.00 WAT1 ATOM 2059 H2 TIP3 184 -41.713 40.994 -25.478 1.00 0.00 WAT1 ATOM 2060 OH2 TIP3 185 -39.923 53.155 -28.795 1.00 0.00 WAT1 ATOM 2061 H1 TIP3 185 -39.250 53.755 -28.420 1.00 0.00 WAT1 ATOM 2062 H2 TIP3 185 -39.406 52.477 -29.254 1.00 0.00 WAT1 ATOM 2063 OH2 TIP3 186 -32.692 54.147 -24.155 1.00 0.00 WAT1 ATOM 2064 H1 TIP3 186 -32.375 54.690 -24.895 1.00 0.00 WAT1 ATOM 2065 H2 TIP3 186 -33.396 53.589 -24.558 1.00 0.00 WAT1 ATOM 2066 OH2 TIP3 187 -35.018 34.344 -12.767 1.00 0.00 WAT1 ATOM 2067 H1 TIP3 187 -35.445 34.430 -11.899 1.00 0.00 WAT1 ATOM 2068 H2 TIP3 187 -34.281 34.999 -12.740 1.00 0.00 WAT1 ATOM 2069 OH2 TIP3 188 -30.739 53.800 -14.371 1.00 0.00 WAT1 ATOM 2070 H1 TIP3 188 -30.210 53.720 -15.192 1.00 0.00 WAT1 ATOM 2071 H2 TIP3 188 -30.269 54.491 -13.849 1.00 0.00 WAT1 ATOM 2072 OH2 TIP3 189 -37.722 35.496 -5.166 1.00 0.00 WAT1 ATOM 2073 H1 TIP3 189 -38.532 35.869 -4.809 1.00 0.00 WAT1 ATOM 2074 H2 TIP3 189 -37.996 35.108 -6.028 1.00 0.00 WAT1 ATOM 2075 OH2 TIP3 190 -32.678 42.010 -6.600 1.00 0.00 WAT1 ATOM 2076 H1 TIP3 190 -32.711 42.985 -6.694 1.00 0.00 WAT1 ATOM 2077 H2 TIP3 190 -33.131 41.678 -7.391 1.00 0.00 WAT1 ATOM 2078 OH2 TIP3 191 -36.202 39.339 -9.045 1.00 0.00 WAT1 ATOM 2079 H1 TIP3 191 -36.436 39.314 -9.972 1.00 0.00 WAT1 ATOM 2080 H2 TIP3 191 -35.300 39.711 -9.033 1.00 0.00 WAT1 ATOM 2081 OH2 TIP3 192 -31.781 39.126 -12.707 1.00 0.00 WAT1 ATOM 2082 H1 TIP3 192 -32.730 38.997 -12.540 1.00 0.00 WAT1 ATOM 2083 H2 TIP3 192 -31.496 39.741 -12.006 1.00 0.00 WAT1 ATOM 2084 OH2 TIP3 193 -32.055 51.069 -11.618 1.00 0.00 WAT1 ATOM 2085 H1 TIP3 193 -32.577 51.533 -10.957 1.00 0.00 WAT1 ATOM 2086 H2 TIP3 193 -32.585 51.157 -12.448 1.00 0.00 WAT1 ATOM 2087 OH2 TIP3 194 -30.207 45.117 -8.555 1.00 0.00 WAT1 ATOM 2088 H1 TIP3 194 -30.951 45.202 -7.946 1.00 0.00 WAT1 ATOM 2089 H2 TIP3 194 -29.762 45.987 -8.516 1.00 0.00 WAT1 ATOM 2090 OH2 TIP3 195 -33.135 44.791 -6.264 1.00 0.00 WAT1 ATOM 2091 H1 TIP3 195 -33.700 45.588 -6.329 1.00 0.00 WAT1 ATOM 2092 H2 TIP3 195 -33.401 44.383 -5.414 1.00 0.00 WAT1 ATOM 2093 OH2 TIP3 196 -29.537 43.078 -10.364 1.00 0.00 WAT1 ATOM 2094 H1 TIP3 196 -28.851 43.532 -10.898 1.00 0.00 WAT1 ATOM 2095 H2 TIP3 196 -29.807 43.751 -9.701 1.00 0.00 WAT1 ATOM 2096 OH2 TIP3 197 -31.036 40.729 -10.423 1.00 0.00 WAT1 ATOM 2097 H1 TIP3 197 -30.629 41.619 -10.540 1.00 0.00 WAT1 ATOM 2098 H2 TIP3 197 -30.488 40.311 -9.738 1.00 0.00 WAT1 ATOM 2099 OH2 TIP3 198 -34.927 46.925 -5.999 1.00 0.00 WAT1 ATOM 2100 H1 TIP3 198 -35.590 46.877 -5.303 1.00 0.00 WAT1 ATOM 2101 H2 TIP3 198 -35.154 47.719 -6.490 1.00 0.00 WAT1 ATOM 2102 OH2 TIP3 199 -33.491 40.030 -9.302 1.00 0.00 WAT1 ATOM 2103 H1 TIP3 199 -33.440 39.055 -9.400 1.00 0.00 WAT1 ATOM 2104 H2 TIP3 199 -32.685 40.358 -9.748 1.00 0.00 WAT1 ATOM 2105 OH2 TIP3 200 -33.453 37.346 -9.886 1.00 0.00 WAT1 ATOM 2106 H1 TIP3 200 -32.529 37.110 -10.106 1.00 0.00 WAT1 ATOM 2107 H2 TIP3 200 -33.829 36.515 -9.522 1.00 0.00 WAT1 ATOM 2108 OH2 TIP3 201 -32.984 34.401 -3.557 1.00 0.00 WAT1 ATOM 2109 H1 TIP3 201 -33.516 33.869 -2.943 1.00 0.00 WAT1 ATOM 2110 H2 TIP3 201 -33.637 34.770 -4.184 1.00 0.00 WAT1 ATOM 2111 OH2 TIP3 202 -29.854 37.492 -5.524 1.00 0.00 WAT1 ATOM 2112 H1 TIP3 202 -30.356 37.336 -4.703 1.00 0.00 WAT1 ATOM 2113 H2 TIP3 202 -30.185 38.363 -5.838 1.00 0.00 WAT1 ATOM 2114 OH2 TIP3 203 -34.096 32.402 -1.890 1.00 0.00 WAT1 ATOM 2115 H1 TIP3 203 -33.168 32.087 -1.774 1.00 0.00 WAT1 ATOM 2116 H2 TIP3 203 -34.397 32.575 -0.990 1.00 0.00 WAT1 ATOM 2117 OH2 TIP3 204 -34.021 34.739 -9.158 1.00 0.00 WAT1 ATOM 2118 H1 TIP3 204 -34.725 34.186 -9.549 1.00 0.00 WAT1 ATOM 2119 H2 TIP3 204 -33.795 34.291 -8.335 1.00 0.00 WAT1 ATOM 2120 OH2 TIP3 205 -37.026 56.949 -29.139 1.00 0.00 WAT1 ATOM 2121 H1 TIP3 205 -37.448 57.753 -28.820 1.00 0.00 WAT1 ATOM 2122 H2 TIP3 205 -37.171 56.973 -30.117 1.00 0.00 WAT1 ATOM 2123 OH2 TIP3 206 -47.395 52.607 -29.480 1.00 0.00 WAT1 ATOM 2124 H1 TIP3 206 -47.094 53.069 -30.268 1.00 0.00 WAT1 ATOM 2125 H2 TIP3 206 -48.340 52.491 -29.617 1.00 0.00 WAT1 ATOM 2126 OH2 TIP3 207 -36.508 54.427 -31.893 1.00 0.00 WAT1 ATOM 2127 H1 TIP3 207 -36.485 53.841 -31.106 1.00 0.00 WAT1 ATOM 2128 H2 TIP3 207 -36.457 53.808 -32.650 1.00 0.00 WAT1 ATOM 2129 OH2 TIP3 208 -34.670 52.870 -25.549 1.00 0.00 WAT1 ATOM 2130 H1 TIP3 208 -34.535 51.903 -25.649 1.00 0.00 WAT1 ATOM 2131 H2 TIP3 208 -35.639 52.990 -25.670 1.00 0.00 WAT1 ATOM 2132 OH2 TIP3 209 -34.472 53.516 -21.930 1.00 0.00 WAT1 ATOM 2133 H1 TIP3 209 -33.915 53.792 -22.679 1.00 0.00 WAT1 ATOM 2134 H2 TIP3 209 -35.282 53.142 -22.359 1.00 0.00 WAT1 ATOM 2135 OH2 TIP3 210 -33.179 56.387 -20.753 1.00 0.00 WAT1 ATOM 2136 H1 TIP3 210 -33.424 57.034 -20.049 1.00 0.00 WAT1 ATOM 2137 H2 TIP3 210 -33.793 56.579 -21.472 1.00 0.00 WAT1 ATOM 2138 OH2 TIP3 211 -34.125 57.984 -18.741 1.00 0.00 WAT1 ATOM 2139 H1 TIP3 211 -33.749 57.640 -17.915 1.00 0.00 WAT1 ATOM 2140 H2 TIP3 211 -35.033 58.237 -18.501 1.00 0.00 WAT1 ATOM 2141 OH2 TIP3 212 -38.288 57.833 -19.973 1.00 0.00 WAT1 ATOM 2142 H1 TIP3 212 -38.923 58.299 -20.525 1.00 0.00 WAT1 ATOM 2143 H2 TIP3 212 -38.239 56.930 -20.373 1.00 0.00 WAT1 ATOM 2144 OH2 TIP3 213 -38.222 55.399 -21.207 1.00 0.00 WAT1 ATOM 2145 H1 TIP3 213 -38.684 54.790 -21.818 1.00 0.00 WAT1 ATOM 2146 H2 TIP3 213 -37.573 54.827 -20.747 1.00 0.00 WAT1 ATOM 2147 OH2 TIP3 214 -30.179 -22.824 8.982 1.00 0.00 WAT1 ATOM 2148 H1 TIP3 214 -29.223 -22.915 9.061 1.00 0.00 WAT1 ATOM 2149 H2 TIP3 214 -30.304 -22.326 8.167 1.00 0.00 WAT1 ATOM 2150 OH2 TIP3 215 -13.549 -29.931 8.057 1.00 0.00 WAT1 ATOM 2151 H1 TIP3 215 -12.930 -30.010 7.329 1.00 0.00 WAT1 ATOM 2152 H2 TIP3 215 -13.523 -28.975 8.292 1.00 0.00 WAT1 ATOM 2153 OH2 TIP3 216 -23.048 -26.396 10.584 1.00 0.00 WAT1 ATOM 2154 H1 TIP3 216 -22.461 -26.428 9.800 1.00 0.00 WAT1 ATOM 2155 H2 TIP3 216 -23.166 -25.438 10.755 1.00 0.00 WAT1 ATOM 2156 OH2 TIP3 217 -20.830 -26.485 8.890 1.00 0.00 WAT1 ATOM 2157 H1 TIP3 217 -20.789 -26.678 7.946 1.00 0.00 WAT1 ATOM 2158 H2 TIP3 217 -20.322 -27.220 9.307 1.00 0.00 WAT1 ATOM 2159 OH2 TIP3 218 -28.941 -25.827 16.350 1.00 0.00 WAT1 ATOM 2160 H1 TIP3 218 -28.565 -25.994 15.459 1.00 0.00 WAT1 ATOM 2161 H2 TIP3 218 -29.749 -25.288 16.171 1.00 0.00 WAT1 ATOM 2162 OH2 TIP3 219 -27.003 -30.174 15.626 1.00 0.00 WAT1 ATOM 2163 H1 TIP3 219 -26.576 -30.610 16.398 1.00 0.00 WAT1 ATOM 2164 H2 TIP3 219 -27.707 -29.612 16.031 1.00 0.00 WAT1 ATOM 2165 OH2 TIP3 220 -18.906 -28.446 19.760 1.00 0.00 WAT1 ATOM 2166 H1 TIP3 220 -19.875 -28.555 19.672 1.00 0.00 WAT1 ATOM 2167 H2 TIP3 220 -18.536 -28.975 19.016 1.00 0.00 WAT1 ATOM 2168 OH2 TIP3 221 -13.766 -30.328 13.611 1.00 0.00 WAT1 ATOM 2169 H1 TIP3 221 -13.074 -30.371 14.313 1.00 0.00 WAT1 ATOM 2170 H2 TIP3 221 -13.445 -30.925 12.922 1.00 0.00 WAT1 ATOM 2171 OH2 TIP3 222 -23.356 -31.596 15.840 1.00 0.00 WAT1 ATOM 2172 H1 TIP3 222 -22.776 -31.911 15.122 1.00 0.00 WAT1 ATOM 2173 H2 TIP3 222 -24.007 -31.030 15.387 1.00 0.00 WAT1 ATOM 2174 OH2 TIP3 223 -13.583 -31.923 17.656 1.00 0.00 WAT1 ATOM 2175 H1 TIP3 223 -13.495 -32.813 18.017 1.00 0.00 WAT1 ATOM 2176 H2 TIP3 223 -14.273 -31.497 18.230 1.00 0.00 WAT1 ATOM 2177 OH2 TIP3 224 -25.934 -25.660 20.584 1.00 0.00 WAT1 ATOM 2178 H1 TIP3 224 -26.489 -25.539 19.787 1.00 0.00 WAT1 ATOM 2179 H2 TIP3 224 -26.205 -24.936 21.174 1.00 0.00 WAT1 ATOM 2180 OH2 TIP3 225 -29.204 -23.601 20.140 1.00 0.00 WAT1 ATOM 2181 H1 TIP3 225 -30.059 -24.040 20.207 1.00 0.00 WAT1 ATOM 2182 H2 TIP3 225 -28.696 -24.158 19.504 1.00 0.00 WAT1 ATOM 2183 OH2 TIP3 226 -28.942 -28.623 16.702 1.00 0.00 WAT1 ATOM 2184 H1 TIP3 226 -29.049 -27.653 16.675 1.00 0.00 WAT1 ATOM 2185 H2 TIP3 226 -29.749 -28.943 17.158 1.00 0.00 WAT1 ATOM 2186 OH2 TIP3 227 -19.622 -28.646 10.086 1.00 0.00 WAT1 ATOM 2187 H1 TIP3 227 -18.717 -28.751 10.459 1.00 0.00 WAT1 ATOM 2188 H2 TIP3 227 -19.923 -29.571 9.929 1.00 0.00 WAT1 ATOM 2189 OH2 TIP3 228 -19.585 -32.718 21.175 1.00 0.00 WAT1 ATOM 2190 H1 TIP3 228 -20.109 -33.533 21.270 1.00 0.00 WAT1 ATOM 2191 H2 TIP3 228 -19.931 -32.310 20.368 1.00 0.00 WAT1 ATOM 2192 OH2 TIP3 229 -23.478 -26.751 20.022 1.00 0.00 WAT1 ATOM 2193 H1 TIP3 229 -23.036 -25.905 19.780 1.00 0.00 WAT1 ATOM 2194 H2 TIP3 229 -24.403 -26.481 20.235 1.00 0.00 WAT1 ATOM 2195 OH2 TIP3 230 -26.890 -23.122 21.572 1.00 0.00 WAT1 ATOM 2196 H1 TIP3 230 -27.728 -23.393 21.146 1.00 0.00 WAT1 ATOM 2197 H2 TIP3 230 -27.118 -22.282 22.026 1.00 0.00 WAT1 ATOM 2198 OH2 TIP3 231 -15.597 -30.457 9.862 1.00 0.00 WAT1 ATOM 2199 H1 TIP3 231 -15.838 -31.352 9.544 1.00 0.00 WAT1 ATOM 2200 H2 TIP3 231 -14.839 -30.202 9.294 1.00 0.00 WAT1 ATOM 2201 OH2 TIP3 232 -24.664 -29.558 14.291 1.00 0.00 WAT1 ATOM 2202 H1 TIP3 232 -25.530 -29.719 14.730 1.00 0.00 WAT1 ATOM 2203 H2 TIP3 232 -24.881 -28.950 13.555 1.00 0.00 WAT1 ATOM 2204 OH2 TIP3 233 -28.242 -21.031 19.745 1.00 0.00 WAT1 ATOM 2205 H1 TIP3 233 -28.777 -21.851 19.758 1.00 0.00 WAT1 ATOM 2206 H2 TIP3 233 -28.147 -20.796 20.694 1.00 0.00 WAT1 ATOM 2207 OH2 TIP3 234 -14.532 -22.036 21.596 1.00 0.00 WAT1 ATOM 2208 H1 TIP3 234 -15.330 -22.585 21.800 1.00 0.00 WAT1 ATOM 2209 H2 TIP3 234 -14.158 -21.836 22.464 1.00 0.00 WAT1 ATOM 2210 OH2 TIP3 235 -22.852 -28.355 22.135 1.00 0.00 WAT1 ATOM 2211 H1 TIP3 235 -23.434 -29.106 21.993 1.00 0.00 WAT1 ATOM 2212 H2 TIP3 235 -23.111 -27.715 21.436 1.00 0.00 WAT1 ATOM 2213 OH2 TIP3 236 -17.861 -20.959 13.685 1.00 0.00 WAT1 ATOM 2214 H1 TIP3 236 -18.628 -20.528 13.245 1.00 0.00 WAT1 ATOM 2215 H2 TIP3 236 -17.432 -21.467 12.959 1.00 0.00 WAT1 ATOM 2216 OH2 TIP3 237 -24.611 -16.124 14.490 1.00 0.00 WAT1 ATOM 2217 H1 TIP3 237 -25.560 -16.105 14.341 1.00 0.00 WAT1 ATOM 2218 H2 TIP3 237 -24.508 -16.674 15.296 1.00 0.00 WAT1 ATOM 2219 OH2 TIP3 238 -16.875 -22.476 11.651 1.00 0.00 WAT1 ATOM 2220 H1 TIP3 238 -16.113 -23.004 11.971 1.00 0.00 WAT1 ATOM 2221 H2 TIP3 238 -16.540 -22.044 10.832 1.00 0.00 WAT1 ATOM 2222 OH2 TIP3 239 -15.888 -17.418 16.146 1.00 0.00 WAT1 ATOM 2223 H1 TIP3 239 -16.247 -17.561 15.244 1.00 0.00 WAT1 ATOM 2224 H2 TIP3 239 -15.964 -18.290 16.572 1.00 0.00 WAT1 ATOM 2225 OH2 TIP3 240 -15.056 -29.663 23.270 1.00 0.00 WAT1 ATOM 2226 H1 TIP3 240 -15.614 -30.282 23.751 1.00 0.00 WAT1 ATOM 2227 H2 TIP3 240 -15.500 -29.568 22.401 1.00 0.00 WAT1 ATOM 2228 OH2 TIP3 241 -13.562 -27.293 8.661 1.00 0.00 WAT1 ATOM 2229 H1 TIP3 241 -13.039 -26.677 9.216 1.00 0.00 WAT1 ATOM 2230 H2 TIP3 241 -14.441 -26.904 8.641 1.00 0.00 WAT1 ATOM 2231 OH2 TIP3 242 -21.134 -35.054 21.112 1.00 0.00 WAT1 ATOM 2232 H1 TIP3 242 -20.626 -35.859 20.940 1.00 0.00 WAT1 ATOM 2233 H2 TIP3 242 -21.715 -35.291 21.847 1.00 0.00 WAT1 ATOM 2234 OH2 TIP3 243 -21.962 -29.156 14.711 1.00 0.00 WAT1 ATOM 2235 H1 TIP3 243 -22.940 -29.101 14.781 1.00 0.00 WAT1 ATOM 2236 H2 TIP3 243 -21.811 -30.014 14.260 1.00 0.00 WAT1 ATOM 2237 OH2 TIP3 244 -19.385 -29.928 15.423 1.00 0.00 WAT1 ATOM 2238 H1 TIP3 244 -19.140 -30.371 14.584 1.00 0.00 WAT1 ATOM 2239 H2 TIP3 244 -20.339 -29.749 15.325 1.00 0.00 WAT1 ATOM 2240 OH2 TIP3 245 -15.338 -30.750 15.828 1.00 0.00 WAT1 ATOM 2241 H1 TIP3 245 -14.882 -30.750 14.966 1.00 0.00 WAT1 ATOM 2242 H2 TIP3 245 -14.796 -31.337 16.387 1.00 0.00 WAT1 ATOM 2243 OH2 TIP3 246 -21.643 -28.585 19.027 1.00 0.00 WAT1 ATOM 2244 H1 TIP3 246 -22.295 -27.946 19.392 1.00 0.00 WAT1 ATOM 2245 H2 TIP3 246 -22.177 -29.393 18.846 1.00 0.00 WAT1 ATOM 2246 OH2 TIP3 247 -21.738 -31.575 13.495 1.00 0.00 WAT1 ATOM 2247 H1 TIP3 247 -22.313 -31.342 12.740 1.00 0.00 WAT1 ATOM 2248 H2 TIP3 247 -20.830 -31.457 13.150 1.00 0.00 WAT1 ATOM 2249 OH2 TIP3 248 -22.978 -29.986 11.555 1.00 0.00 WAT1 ATOM 2250 H1 TIP3 248 -23.899 -29.669 11.621 1.00 0.00 WAT1 ATOM 2251 H2 TIP3 248 -22.446 -29.241 11.895 1.00 0.00 WAT1 ATOM 2252 OH2 TIP3 249 -24.950 -27.887 11.992 1.00 0.00 WAT1 ATOM 2253 H1 TIP3 249 -25.770 -27.369 11.914 1.00 0.00 WAT1 ATOM 2254 H2 TIP3 249 -24.308 -27.397 11.439 1.00 0.00 WAT1 ATOM 2255 OH2 TIP3 250 -20.159 -27.727 16.964 1.00 0.00 WAT1 ATOM 2256 H1 TIP3 250 -20.657 -28.031 17.759 1.00 0.00 WAT1 ATOM 2257 H2 TIP3 250 -19.660 -28.519 16.678 1.00 0.00 WAT1 ATOM 2258 OH2 TIP3 251 -23.073 -30.849 18.423 1.00 0.00 WAT1 ATOM 2259 H1 TIP3 251 -23.127 -31.091 17.467 1.00 0.00 WAT1 ATOM 2260 H2 TIP3 251 -22.571 -31.589 18.827 1.00 0.00 WAT1 ATOM 2261 OH2 TIP3 252 -20.500 -27.533 23.154 1.00 0.00 WAT1 ATOM 2262 H1 TIP3 252 -20.196 -28.297 23.657 1.00 0.00 WAT1 ATOM 2263 H2 TIP3 252 -21.332 -27.846 22.719 1.00 0.00 WAT1 ATOM 2264 OH2 TIP3 253 -17.299 -29.120 11.500 1.00 0.00 WAT1 ATOM 2265 H1 TIP3 253 -16.705 -28.712 12.164 1.00 0.00 WAT1 ATOM 2266 H2 TIP3 253 -16.681 -29.596 10.889 1.00 0.00 WAT1 ATOM 2267 OH2 TIP3 254 -25.839 -31.028 17.939 1.00 0.00 WAT1 ATOM 2268 H1 TIP3 254 -24.899 -30.868 18.154 1.00 0.00 WAT1 ATOM 2269 H2 TIP3 254 -26.132 -31.649 18.610 1.00 0.00 WAT1 ATOM 2270 OH2 TIP3 255 -16.431 -23.794 22.188 1.00 0.00 WAT1 ATOM 2271 H1 TIP3 255 -17.230 -23.919 22.742 1.00 0.00 WAT1 ATOM 2272 H2 TIP3 255 -16.002 -24.679 22.185 1.00 0.00 WAT1 ATOM 2273 OH2 TIP3 256 -16.597 -23.299 14.776 1.00 0.00 WAT1 ATOM 2274 H1 TIP3 256 -15.856 -23.515 14.168 1.00 0.00 WAT1 ATOM 2275 H2 TIP3 256 -16.925 -22.442 14.454 1.00 0.00 WAT1 ATOM 2276 OH2 TIP3 257 -28.091 -29.144 13.344 1.00 0.00 WAT1 ATOM 2277 H1 TIP3 257 -28.723 -29.761 12.972 1.00 0.00 WAT1 ATOM 2278 H2 TIP3 257 -27.709 -29.623 14.111 1.00 0.00 WAT1 ATOM 2279 OH2 TIP3 258 -19.087 -23.909 12.354 1.00 0.00 WAT1 ATOM 2280 H1 TIP3 258 -18.309 -23.355 12.114 1.00 0.00 WAT1 ATOM 2281 H2 TIP3 258 -19.614 -23.949 11.525 1.00 0.00 WAT1 ATOM 2282 OH2 TIP3 259 -18.272 -25.957 13.968 1.00 0.00 WAT1 ATOM 2283 H1 TIP3 259 -17.515 -26.432 13.592 1.00 0.00 WAT1 ATOM 2284 H2 TIP3 259 -18.414 -25.203 13.352 1.00 0.00 WAT1 ATOM 2285 OH2 TIP3 260 -22.919 -23.698 11.316 1.00 0.00 WAT1 ATOM 2286 H1 TIP3 260 -22.496 -22.861 11.624 1.00 0.00 WAT1 ATOM 2287 H2 TIP3 260 -23.880 -23.560 11.498 1.00 0.00 WAT1 ATOM 2288 OH2 TIP3 261 -27.673 -26.577 14.049 1.00 0.00 WAT1 ATOM 2289 H1 TIP3 261 -27.959 -27.496 13.826 1.00 0.00 WAT1 ATOM 2290 H2 TIP3 261 -26.900 -26.705 14.638 1.00 0.00 WAT1 ATOM 2291 OH2 TIP3 262 -19.129 -30.824 12.803 1.00 0.00 WAT1 ATOM 2292 H1 TIP3 262 -18.563 -30.088 12.486 1.00 0.00 WAT1 ATOM 2293 H2 TIP3 262 -18.897 -31.563 12.224 1.00 0.00 WAT1 ATOM 2294 OH2 TIP3 263 -17.796 -29.672 17.614 1.00 0.00 WAT1 ATOM 2295 H1 TIP3 263 -18.295 -30.074 16.870 1.00 0.00 WAT1 ATOM 2296 H2 TIP3 263 -17.135 -29.101 17.173 1.00 0.00 WAT1 ATOM 2297 OH2 TIP3 264 -26.983 -25.817 11.588 1.00 0.00 WAT1 ATOM 2298 H1 TIP3 264 -27.304 -26.018 12.502 1.00 0.00 WAT1 ATOM 2299 H2 TIP3 264 -27.756 -25.958 11.032 1.00 0.00 WAT1 ATOM 2300 OH2 TIP3 265 -31.109 -24.292 15.742 1.00 0.00 WAT1 ATOM 2301 H1 TIP3 265 -31.574 -23.534 16.101 1.00 0.00 WAT1 ATOM 2302 H2 TIP3 265 -31.547 -24.453 14.873 1.00 0.00 WAT1 ATOM 2303 OH2 TIP3 266 -19.624 -21.391 9.506 1.00 0.00 WAT1 ATOM 2304 H1 TIP3 266 -19.858 -22.320 9.712 1.00 0.00 WAT1 ATOM 2305 H2 TIP3 266 -20.008 -21.239 8.637 1.00 0.00 WAT1 ATOM 2306 OH2 TIP3 267 -20.678 -20.819 20.069 1.00 0.00 WAT1 ATOM 2307 H1 TIP3 267 -20.867 -21.273 19.224 1.00 0.00 WAT1 ATOM 2308 H2 TIP3 267 -20.837 -21.495 20.739 1.00 0.00 WAT1 ATOM 2309 OH2 TIP3 268 -14.741 -23.776 12.767 1.00 0.00 WAT1 ATOM 2310 H1 TIP3 268 -14.393 -24.693 12.849 1.00 0.00 WAT1 ATOM 2311 H2 TIP3 268 -14.157 -23.360 12.097 1.00 0.00 WAT1 ATOM 2312 OH2 TIP3 269 -25.546 -23.517 11.926 1.00 0.00 WAT1 ATOM 2313 H1 TIP3 269 -26.203 -23.033 12.434 1.00 0.00 WAT1 ATOM 2314 H2 TIP3 269 -25.992 -24.364 11.700 1.00 0.00 WAT1 ATOM 2315 OH2 TIP3 270 -20.539 -23.974 10.020 1.00 0.00 WAT1 ATOM 2316 H1 TIP3 270 -21.453 -23.866 10.364 1.00 0.00 WAT1 ATOM 2317 H2 TIP3 270 -20.567 -24.826 9.531 1.00 0.00 WAT1 ATOM 2318 OH2 TIP3 271 -18.172 -26.480 22.030 1.00 0.00 WAT1 ATOM 2319 H1 TIP3 271 -18.293 -25.769 22.693 1.00 0.00 WAT1 ATOM 2320 H2 TIP3 271 -18.973 -27.032 22.130 1.00 0.00 WAT1 ATOM 2321 OH2 TIP3 272 -21.272 -27.783 12.112 1.00 0.00 WAT1 ATOM 2322 H1 TIP3 272 -20.595 -28.120 11.486 1.00 0.00 WAT1 ATOM 2323 H2 TIP3 272 -21.890 -27.275 11.545 1.00 0.00 WAT1 ATOM 2324 OH2 TIP3 273 -20.931 -31.089 10.020 1.00 0.00 WAT1 ATOM 2325 H1 TIP3 273 -21.758 -30.776 10.441 1.00 0.00 WAT1 ATOM 2326 H2 TIP3 273 -21.188 -31.893 9.560 1.00 0.00 WAT1 ATOM 2327 OH2 TIP3 274 -21.764 -33.136 19.186 1.00 0.00 WAT1 ATOM 2328 H1 TIP3 274 -21.807 -33.606 18.345 1.00 0.00 WAT1 ATOM 2329 H2 TIP3 274 -21.660 -33.842 19.851 1.00 0.00 WAT1 ATOM 2330 OH2 TIP3 275 -15.663 -30.851 18.972 1.00 0.00 WAT1 ATOM 2331 H1 TIP3 275 -15.852 -30.426 19.833 1.00 0.00 WAT1 ATOM 2332 H2 TIP3 275 -16.441 -30.628 18.424 1.00 0.00 WAT1 ATOM 2333 OH2 TIP3 276 -21.810 -21.371 12.143 1.00 0.00 WAT1 ATOM 2334 H1 TIP3 276 -20.950 -20.914 12.009 1.00 0.00 WAT1 ATOM 2335 H2 TIP3 276 -22.425 -20.658 12.340 1.00 0.00 WAT1 ATOM 2336 OH2 TIP3 277 -34.166 -25.579 11.483 1.00 0.00 WAT1 ATOM 2337 H1 TIP3 277 -34.547 -26.149 10.812 1.00 0.00 WAT1 ATOM 2338 H2 TIP3 277 -33.466 -25.088 11.013 1.00 0.00 WAT1 ATOM 2339 OH2 TIP3 278 -26.485 -22.236 17.969 1.00 0.00 WAT1 ATOM 2340 H1 TIP3 278 -27.201 -21.876 18.533 1.00 0.00 WAT1 ATOM 2341 H2 TIP3 278 -26.174 -21.468 17.467 1.00 0.00 WAT1 ATOM 2342 OH2 TIP3 279 -15.525 -22.370 26.571 1.00 0.00 WAT1 ATOM 2343 H1 TIP3 279 -14.670 -22.630 26.176 1.00 0.00 WAT1 ATOM 2344 H2 TIP3 279 -15.351 -21.508 26.956 1.00 0.00 WAT1 ATOM 2345 OH2 TIP3 280 -12.571 -25.469 10.459 1.00 0.00 WAT1 ATOM 2346 H1 TIP3 280 -12.830 -24.526 10.387 1.00 0.00 WAT1 ATOM 2347 H2 TIP3 280 -13.054 -25.790 11.254 1.00 0.00 WAT1 ATOM 2348 OH2 TIP3 281 -13.744 -26.319 12.782 1.00 0.00 WAT1 ATOM 2349 H1 TIP3 281 -14.476 -26.957 12.927 1.00 0.00 WAT1 ATOM 2350 H2 TIP3 281 -13.024 -26.649 13.361 1.00 0.00 WAT1 ATOM 2351 OH2 TIP3 282 -15.607 -28.214 13.513 1.00 0.00 WAT1 ATOM 2352 H1 TIP3 282 -15.840 -28.142 14.464 1.00 0.00 WAT1 ATOM 2353 H2 TIP3 282 -15.004 -28.991 13.473 1.00 0.00 WAT1 ATOM 2354 OH2 TIP3 283 -16.748 -29.555 21.146 1.00 0.00 WAT1 ATOM 2355 H1 TIP3 283 -17.147 -30.294 21.659 1.00 0.00 WAT1 ATOM 2356 H2 TIP3 283 -17.520 -29.052 20.810 1.00 0.00 WAT1 ATOM 2357 OH2 TIP3 284 -13.069 -27.838 23.511 1.00 0.00 WAT1 ATOM 2358 H1 TIP3 284 -13.693 -28.599 23.517 1.00 0.00 WAT1 ATOM 2359 H2 TIP3 284 -12.305 -28.149 24.046 1.00 0.00 WAT1 ATOM 2360 OH2 TIP3 285 -15.860 -32.899 8.632 1.00 0.00 WAT1 ATOM 2361 H1 TIP3 285 -16.186 -33.794 8.506 1.00 0.00 WAT1 ATOM 2362 H2 TIP3 285 -15.200 -32.785 7.940 1.00 0.00 WAT1 ATOM 2363 OH2 TIP3 286 -12.224 -30.339 15.853 1.00 0.00 WAT1 ATOM 2364 H1 TIP3 286 -12.085 -29.505 16.335 1.00 0.00 WAT1 ATOM 2365 H2 TIP3 286 -12.585 -30.951 16.532 1.00 0.00 WAT1 ATOM 2366 OH2 TIP3 287 -17.517 -31.716 22.644 1.00 0.00 WAT1 ATOM 2367 H1 TIP3 287 -17.227 -32.471 23.164 1.00 0.00 WAT1 ATOM 2368 H2 TIP3 287 -18.277 -32.063 22.118 1.00 0.00 WAT1 ATOM 2369 OH2 TIP3 288 -24.620 -22.477 19.990 1.00 0.00 WAT1 ATOM 2370 H1 TIP3 288 -25.191 -22.475 19.194 1.00 0.00 WAT1 ATOM 2371 H2 TIP3 288 -25.209 -22.801 20.702 1.00 0.00 WAT1 ATOM 2372 OH2 TIP3 289 -22.343 -19.652 22.584 1.00 0.00 WAT1 ATOM 2373 H1 TIP3 289 -21.568 -19.772 22.015 1.00 0.00 WAT1 ATOM 2374 H2 TIP3 289 -21.971 -19.671 23.501 1.00 0.00 WAT1 ATOM 2375 OH2 TIP3 290 -18.149 -16.498 23.182 1.00 0.00 WAT1 ATOM 2376 H1 TIP3 290 -17.692 -16.954 22.446 1.00 0.00 WAT1 ATOM 2377 H2 TIP3 290 -18.324 -17.213 23.831 1.00 0.00 WAT1 ATOM 2378 OH2 TIP3 291 -27.918 -20.793 22.475 1.00 0.00 WAT1 ATOM 2379 H1 TIP3 291 -27.089 -20.392 22.835 1.00 0.00 WAT1 ATOM 2380 H2 TIP3 291 -28.608 -20.487 23.074 1.00 0.00 WAT1 ATOM 2381 OH2 TIP3 292 -24.682 -17.693 16.786 1.00 0.00 WAT1 ATOM 2382 H1 TIP3 292 -24.290 -17.384 17.630 1.00 0.00 WAT1 ATOM 2383 H2 TIP3 292 -25.387 -18.306 17.067 1.00 0.00 WAT1 ATOM 2384 OH2 TIP3 293 -27.491 -24.824 18.445 1.00 0.00 WAT1 ATOM 2385 H1 TIP3 293 -27.915 -25.292 17.688 1.00 0.00 WAT1 ATOM 2386 H2 TIP3 293 -27.033 -24.065 18.030 1.00 0.00 WAT1 ATOM 2387 OH2 TIP3 294 -22.551 -24.261 19.300 1.00 0.00 WAT1 ATOM 2388 H1 TIP3 294 -22.255 -23.952 18.428 1.00 0.00 WAT1 ATOM 2389 H2 TIP3 294 -23.242 -23.617 19.562 1.00 0.00 WAT1 ATOM 2390 OH2 TIP3 295 -32.418 -24.446 13.355 1.00 0.00 WAT1 ATOM 2391 H1 TIP3 295 -33.231 -24.921 13.099 1.00 0.00 WAT1 ATOM 2392 H2 TIP3 295 -32.009 -24.211 12.506 1.00 0.00 WAT1 ATOM 2393 OH2 TIP3 296 -19.546 -19.898 11.818 1.00 0.00 WAT1 ATOM 2394 H1 TIP3 296 -19.308 -18.954 11.705 1.00 0.00 WAT1 ATOM 2395 H2 TIP3 296 -19.428 -20.287 10.921 1.00 0.00 WAT1 ATOM 2396 OH2 TIP3 297 -13.733 -19.455 9.353 1.00 0.00 WAT1 ATOM 2397 H1 TIP3 297 -13.482 -18.527 9.291 1.00 0.00 WAT1 ATOM 2398 H2 TIP3 297 -12.919 -19.904 9.669 1.00 0.00 WAT1 ATOM 2399 OH2 TIP3 298 -32.164 -23.787 10.616 1.00 0.00 WAT1 ATOM 2400 H1 TIP3 298 -31.420 -23.534 10.024 1.00 0.00 WAT1 ATOM 2401 H2 TIP3 298 -32.684 -22.981 10.697 1.00 0.00 WAT1 ATOM 2402 OH2 TIP3 299 -12.775 -22.515 25.758 1.00 0.00 WAT1 ATOM 2403 H1 TIP3 299 -12.479 -22.735 24.850 1.00 0.00 WAT1 ATOM 2404 H2 TIP3 299 -12.125 -21.845 26.062 1.00 0.00 WAT1 ATOM 2405 OH2 TIP3 300 -18.135 -23.253 26.285 1.00 0.00 WAT1 ATOM 2406 H1 TIP3 300 -18.217 -23.658 27.155 1.00 0.00 WAT1 ATOM 2407 H2 TIP3 300 -17.231 -22.860 26.288 1.00 0.00 WAT1 ATOM 2408 OH2 TIP3 301 -11.218 -20.783 31.453 1.00 0.00 WAT1 ATOM 2409 H1 TIP3 301 -10.804 -21.557 31.057 1.00 0.00 WAT1 ATOM 2410 H2 TIP3 301 -11.837 -21.146 32.094 1.00 0.00 WAT1 ATOM 2411 OH2 TIP3 302 -20.637 -22.342 25.475 1.00 0.00 WAT1 ATOM 2412 H1 TIP3 302 -19.745 -22.565 25.802 1.00 0.00 WAT1 ATOM 2413 H2 TIP3 302 -20.970 -23.176 25.107 1.00 0.00 WAT1 ATOM 2414 OH2 TIP3 303 -18.595 -24.415 23.795 1.00 0.00 WAT1 ATOM 2415 H1 TIP3 303 -18.355 -24.040 24.669 1.00 0.00 WAT1 ATOM 2416 H2 TIP3 303 -19.570 -24.525 23.843 1.00 0.00 WAT1 ATOM 2417 OH2 TIP3 304 -21.254 -24.968 24.088 1.00 0.00 WAT1 ATOM 2418 H1 TIP3 304 -22.211 -24.924 23.967 1.00 0.00 WAT1 ATOM 2419 H2 TIP3 304 -21.017 -25.874 23.791 1.00 0.00 WAT1 ATOM 2420 OH2 TIP3 305 -11.855 -25.063 26.587 1.00 0.00 WAT1 ATOM 2421 H1 TIP3 305 -12.599 -25.668 26.487 1.00 0.00 WAT1 ATOM 2422 H2 TIP3 305 -12.229 -24.185 26.379 1.00 0.00 WAT1 ATOM 2423 OH2 TIP3 306 -19.485 -9.692 14.754 1.00 0.00 WAT1 ATOM 2424 H1 TIP3 306 -20.380 -9.402 14.546 1.00 0.00 WAT1 ATOM 2425 H2 TIP3 306 -19.130 -10.017 13.889 1.00 0.00 WAT1 ATOM 2426 OH2 TIP3 307 -17.787 -10.383 18.335 1.00 0.00 WAT1 ATOM 2427 H1 TIP3 307 -17.452 -10.301 17.417 1.00 0.00 WAT1 ATOM 2428 H2 TIP3 307 -18.033 -9.467 18.578 1.00 0.00 WAT1 ATOM 2429 OH2 TIP3 308 -14.649 -8.707 16.905 1.00 0.00 WAT1 ATOM 2430 H1 TIP3 308 -14.826 -7.804 17.255 1.00 0.00 WAT1 ATOM 2431 H2 TIP3 308 -15.535 -9.044 16.652 1.00 0.00 WAT1 ATOM 2432 OH2 TIP3 309 -24.002 -12.124 22.960 1.00 0.00 WAT1 ATOM 2433 H1 TIP3 309 -23.350 -11.837 23.634 1.00 0.00 WAT1 ATOM 2434 H2 TIP3 309 -24.797 -11.628 23.176 1.00 0.00 WAT1 ATOM 2435 OH2 TIP3 310 -24.356 -11.669 14.170 1.00 0.00 WAT1 ATOM 2436 H1 TIP3 310 -24.812 -11.093 13.549 1.00 0.00 WAT1 ATOM 2437 H2 TIP3 310 -25.064 -12.093 14.667 1.00 0.00 WAT1 ATOM 2438 OH2 TIP3 311 -16.369 -12.981 15.468 1.00 0.00 WAT1 ATOM 2439 H1 TIP3 311 -15.482 -13.373 15.304 1.00 0.00 WAT1 ATOM 2440 H2 TIP3 311 -16.253 -12.041 15.249 1.00 0.00 WAT1 ATOM 2441 OH2 TIP3 312 -20.231 -11.336 16.896 1.00 0.00 WAT1 ATOM 2442 H1 TIP3 312 -20.913 -11.800 16.356 1.00 0.00 WAT1 ATOM 2443 H2 TIP3 312 -19.800 -10.732 16.259 1.00 0.00 WAT1 ATOM 2444 OH2 TIP3 313 -21.742 -14.923 16.293 1.00 0.00 WAT1 ATOM 2445 H1 TIP3 313 -22.037 -14.816 17.229 1.00 0.00 WAT1 ATOM 2446 H2 TIP3 313 -21.877 -14.037 15.898 1.00 0.00 WAT1 ATOM 2447 OH2 TIP3 314 -23.297 -17.598 19.137 1.00 0.00 WAT1 ATOM 2448 H1 TIP3 314 -23.647 -18.305 19.715 1.00 0.00 WAT1 ATOM 2449 H2 TIP3 314 -22.488 -17.974 18.763 1.00 0.00 WAT1 ATOM 2450 OH2 TIP3 315 -15.003 -6.099 17.587 1.00 0.00 WAT1 ATOM 2451 H1 TIP3 315 -15.914 -5.770 17.741 1.00 0.00 WAT1 ATOM 2452 H2 TIP3 315 -14.655 -5.518 16.882 1.00 0.00 WAT1 ATOM 2453 OH2 TIP3 316 -11.918 -8.673 17.295 1.00 0.00 WAT1 ATOM 2454 H1 TIP3 316 -11.750 -7.948 16.662 1.00 0.00 WAT1 ATOM 2455 H2 TIP3 316 -12.886 -8.650 17.431 1.00 0.00 WAT1 ATOM 2456 OH2 TIP3 317 -15.192 -10.740 13.999 1.00 0.00 WAT1 ATOM 2457 H1 TIP3 317 -14.473 -10.080 14.121 1.00 0.00 WAT1 ATOM 2458 H2 TIP3 317 -14.839 -11.348 13.333 1.00 0.00 WAT1 ATOM 2459 OH2 TIP3 318 -22.505 -12.913 20.827 1.00 0.00 WAT1 ATOM 2460 H1 TIP3 318 -23.083 -12.496 21.506 1.00 0.00 WAT1 ATOM 2461 H2 TIP3 318 -22.097 -12.148 20.356 1.00 0.00 WAT1 ATOM 2462 OH2 TIP3 319 -17.549 -5.126 18.163 1.00 0.00 WAT1 ATOM 2463 H1 TIP3 319 -17.933 -4.596 17.455 1.00 0.00 WAT1 ATOM 2464 H2 TIP3 319 -17.438 -4.492 18.903 1.00 0.00 WAT1 ATOM 2465 OH2 TIP3 320 -15.594 -21.422 9.428 1.00 0.00 WAT1 ATOM 2466 H1 TIP3 320 -15.012 -20.624 9.394 1.00 0.00 WAT1 ATOM 2467 H2 TIP3 320 -16.146 -21.345 8.641 1.00 0.00 WAT1 ATOM 2468 OH2 TIP3 321 -26.294 -19.347 18.554 1.00 0.00 WAT1 ATOM 2469 H1 TIP3 321 -27.128 -19.719 18.902 1.00 0.00 WAT1 ATOM 2470 H2 TIP3 321 -25.691 -19.358 19.318 1.00 0.00 WAT1 ATOM 2471 OH2 TIP3 322 -21.103 -10.957 19.483 1.00 0.00 WAT1 ATOM 2472 H1 TIP3 322 -20.920 -11.012 18.521 1.00 0.00 WAT1 ATOM 2473 H2 TIP3 322 -20.496 -10.281 19.802 1.00 0.00 WAT1 ATOM 2474 OH2 TIP3 323 -18.403 -10.613 12.448 1.00 0.00 WAT1 ATOM 2475 H1 TIP3 323 -17.992 -10.285 11.642 1.00 0.00 WAT1 ATOM 2476 H2 TIP3 323 -18.018 -11.508 12.567 1.00 0.00 WAT1 ATOM 2477 OH2 TIP3 324 -21.870 -12.456 15.060 1.00 0.00 WAT1 ATOM 2478 H1 TIP3 324 -21.368 -12.747 14.274 1.00 0.00 WAT1 ATOM 2479 H2 TIP3 324 -22.740 -12.170 14.698 1.00 0.00 WAT1 ATOM 2480 OH2 TIP3 325 -15.908 -0.325 24.768 1.00 0.00 WAT1 ATOM 2481 H1 TIP3 325 -15.118 0.157 25.078 1.00 0.00 WAT1 ATOM 2482 H2 TIP3 325 -16.653 0.103 25.254 1.00 0.00 WAT1 ATOM 2483 OH2 TIP3 326 -22.420 -14.890 18.909 1.00 0.00 WAT1 ATOM 2484 H1 TIP3 326 -22.542 -14.223 19.617 1.00 0.00 WAT1 ATOM 2485 H2 TIP3 326 -22.858 -15.692 19.256 1.00 0.00 WAT1 ATOM 2486 OH2 TIP3 327 -18.854 -10.400 22.594 1.00 0.00 WAT1 ATOM 2487 H1 TIP3 327 -19.410 -10.072 23.329 1.00 0.00 WAT1 ATOM 2488 H2 TIP3 327 -18.522 -9.585 22.165 1.00 0.00 WAT1 ATOM 2489 OH2 TIP3 328 -17.627 -13.189 12.972 1.00 0.00 WAT1 ATOM 2490 H1 TIP3 328 -17.361 -13.330 13.904 1.00 0.00 WAT1 ATOM 2491 H2 TIP3 328 -18.587 -13.397 12.963 1.00 0.00 WAT1 ATOM 2492 OH2 TIP3 329 -20.320 -12.482 26.302 1.00 0.00 WAT1 ATOM 2493 H1 TIP3 329 -21.092 -12.151 25.809 1.00 0.00 WAT1 ATOM 2494 H2 TIP3 329 -20.008 -13.245 25.774 1.00 0.00 WAT1 ATOM 2495 OH2 TIP3 330 -16.638 -8.526 23.946 1.00 0.00 WAT1 ATOM 2496 H1 TIP3 330 -17.022 -8.498 23.046 1.00 0.00 WAT1 ATOM 2497 H2 TIP3 330 -16.517 -7.583 24.181 1.00 0.00 WAT1 ATOM 2498 OH2 TIP3 331 -12.915 -11.981 12.181 1.00 0.00 WAT1 ATOM 2499 H1 TIP3 331 -13.620 -12.658 12.061 1.00 0.00 WAT1 ATOM 2500 H2 TIP3 331 -12.578 -11.830 11.293 1.00 0.00 WAT1 ATOM 2501 OH2 TIP3 332 -16.163 -12.176 19.493 1.00 0.00 WAT1 ATOM 2502 H1 TIP3 332 -16.170 -12.037 20.449 1.00 0.00 WAT1 ATOM 2503 H2 TIP3 332 -16.692 -11.426 19.135 1.00 0.00 WAT1 ATOM 2504 OH2 TIP3 333 -18.468 -7.730 18.661 1.00 0.00 WAT1 ATOM 2505 H1 TIP3 333 -18.020 -6.858 18.603 1.00 0.00 WAT1 ATOM 2506 H2 TIP3 333 -19.214 -7.651 18.056 1.00 0.00 WAT1 ATOM 2507 OH2 TIP3 334 -15.040 -5.148 20.228 1.00 0.00 WAT1 ATOM 2508 H1 TIP3 334 -14.841 -5.741 19.482 1.00 0.00 WAT1 ATOM 2509 H2 TIP3 334 -14.395 -5.415 20.929 1.00 0.00 WAT1 ATOM 2510 OH2 TIP3 335 -16.961 -9.733 15.801 1.00 0.00 WAT1 ATOM 2511 H1 TIP3 335 -17.860 -9.602 15.426 1.00 0.00 WAT1 ATOM 2512 H2 TIP3 335 -16.417 -10.008 15.029 1.00 0.00 WAT1 ATOM 2513 OH2 TIP3 336 -18.842 -17.206 12.146 1.00 0.00 WAT1 ATOM 2514 H1 TIP3 336 -18.827 -16.362 11.681 1.00 0.00 WAT1 ATOM 2515 H2 TIP3 336 -19.443 -17.045 12.917 1.00 0.00 WAT1 ATOM 2516 OH2 TIP3 337 -20.418 -13.373 12.825 1.00 0.00 WAT1 ATOM 2517 H1 TIP3 337 -20.656 -12.789 12.096 1.00 0.00 WAT1 ATOM 2518 H2 TIP3 337 -21.160 -14.024 12.864 1.00 0.00 WAT1 ATOM 2519 OH2 TIP3 338 -17.753 -12.821 23.237 1.00 0.00 WAT1 ATOM 2520 H1 TIP3 338 -18.114 -11.944 22.972 1.00 0.00 WAT1 ATOM 2521 H2 TIP3 338 -18.525 -13.296 23.602 1.00 0.00 WAT1 ATOM 2522 OH2 TIP3 339 -20.499 -16.661 14.216 1.00 0.00 WAT1 ATOM 2523 H1 TIP3 339 -20.930 -15.830 14.477 1.00 0.00 WAT1 ATOM 2524 H2 TIP3 339 -20.770 -17.292 14.906 1.00 0.00 WAT1 ATOM 2525 OH2 TIP3 340 -16.867 -5.710 24.127 1.00 0.00 WAT1 ATOM 2526 H1 TIP3 340 -16.499 -4.870 24.467 1.00 0.00 WAT1 ATOM 2527 H2 TIP3 340 -17.071 -5.517 23.186 1.00 0.00 WAT1 ATOM 2528 OH2 TIP3 341 -22.303 -10.967 24.886 1.00 0.00 WAT1 ATOM 2529 H1 TIP3 341 -22.698 -10.517 25.640 1.00 0.00 WAT1 ATOM 2530 H2 TIP3 341 -21.528 -10.406 24.652 1.00 0.00 WAT1 ATOM 2531 OH2 TIP3 342 -24.637 -15.358 21.623 1.00 0.00 WAT1 ATOM 2532 H1 TIP3 342 -24.393 -14.472 21.929 1.00 0.00 WAT1 ATOM 2533 H2 TIP3 342 -25.468 -15.227 21.157 1.00 0.00 WAT1 ATOM 2534 OH2 TIP3 343 -22.423 -16.913 22.074 1.00 0.00 WAT1 ATOM 2535 H1 TIP3 343 -22.569 -17.821 22.387 1.00 0.00 WAT1 ATOM 2536 H2 TIP3 343 -23.328 -16.562 21.913 1.00 0.00 WAT1 ATOM 2537 OH2 TIP3 344 -24.261 -19.817 20.606 1.00 0.00 WAT1 ATOM 2538 H1 TIP3 344 -24.333 -20.757 20.317 1.00 0.00 WAT1 ATOM 2539 H2 TIP3 344 -23.542 -19.829 21.277 1.00 0.00 WAT1 ATOM 2540 OH2 TIP3 345 -21.028 -14.659 22.365 1.00 0.00 WAT1 ATOM 2541 H1 TIP3 345 -21.589 -14.031 21.865 1.00 0.00 WAT1 ATOM 2542 H2 TIP3 345 -21.500 -15.525 22.278 1.00 0.00 WAT1 ATOM 2543 OH2 TIP3 346 -25.532 -19.686 23.081 1.00 0.00 WAT1 ATOM 2544 H1 TIP3 346 -25.176 -19.606 22.176 1.00 0.00 WAT1 ATOM 2545 H2 TIP3 346 -24.771 -19.521 23.650 1.00 0.00 WAT1 ATOM 2546 OH2 TIP3 347 -19.500 -14.476 24.555 1.00 0.00 WAT1 ATOM 2547 H1 TIP3 347 -20.226 -14.496 23.887 1.00 0.00 WAT1 ATOM 2548 H2 TIP3 347 -18.939 -15.240 24.311 1.00 0.00 WAT1 ATOM 2549 OH2 TIP3 348 -20.876 -19.662 24.898 1.00 0.00 WAT1 ATOM 2550 H1 TIP3 348 -19.962 -19.325 24.955 1.00 0.00 WAT1 ATOM 2551 H2 TIP3 348 -20.811 -20.594 25.211 1.00 0.00 WAT1 ATOM 2552 OH2 TIP3 349 -16.810 -16.825 31.624 1.00 0.00 WAT1 ATOM 2553 H1 TIP3 349 -17.749 -16.874 31.834 1.00 0.00 WAT1 ATOM 2554 H2 TIP3 349 -16.374 -17.303 32.363 1.00 0.00 WAT1 ATOM 2555 OH2 TIP3 350 -12.901 -10.832 27.507 1.00 0.00 WAT1 ATOM 2556 H1 TIP3 350 -12.168 -10.411 27.999 1.00 0.00 WAT1 ATOM 2557 H2 TIP3 350 -13.341 -10.082 27.054 1.00 0.00 WAT1 ATOM 2558 OH2 TIP3 351 -11.797 -6.619 15.387 1.00 0.00 WAT1 ATOM 2559 H1 TIP3 351 -10.987 -6.182 15.057 1.00 0.00 WAT1 ATOM 2560 H2 TIP3 351 -12.435 -5.884 15.497 1.00 0.00 WAT1 ATOM 2561 OH2 TIP3 352 -12.020 -11.577 14.751 1.00 0.00 WAT1 ATOM 2562 H1 TIP3 352 -12.141 -11.720 13.784 1.00 0.00 WAT1 ATOM 2563 H2 TIP3 352 -12.280 -10.643 14.883 1.00 0.00 WAT1 ATOM 2564 OH2 TIP3 353 -13.153 -9.011 14.637 1.00 0.00 WAT1 ATOM 2565 H1 TIP3 353 -13.663 -8.880 15.466 1.00 0.00 WAT1 ATOM 2566 H2 TIP3 353 -12.627 -8.193 14.553 1.00 0.00 WAT1 ATOM 2567 OH2 TIP3 354 -13.814 -13.701 14.926 1.00 0.00 WAT1 ATOM 2568 H1 TIP3 354 -13.964 -13.801 13.966 1.00 0.00 WAT1 ATOM 2569 H2 TIP3 354 -13.079 -13.057 14.987 1.00 0.00 WAT1 ATOM 2570 OH2 TIP3 355 -12.659 -17.990 23.384 1.00 0.00 WAT1 ATOM 2571 H1 TIP3 355 -12.150 -17.823 24.204 1.00 0.00 WAT1 ATOM 2572 H2 TIP3 355 -12.427 -18.914 23.149 1.00 0.00 WAT1 ATOM 2573 OH2 TIP3 356 -14.778 -16.316 13.144 1.00 0.00 WAT1 ATOM 2574 H1 TIP3 356 -15.433 -17.040 13.209 1.00 0.00 WAT1 ATOM 2575 H2 TIP3 356 -14.105 -16.545 13.811 1.00 0.00 WAT1 ATOM 2576 OH2 TIP3 357 -13.464 -4.370 15.896 1.00 0.00 WAT1 ATOM 2577 H1 TIP3 357 -14.058 -3.931 15.247 1.00 0.00 WAT1 ATOM 2578 H2 TIP3 357 -12.832 -3.671 16.139 1.00 0.00 WAT1 ATOM 2579 OH2 TIP3 358 -17.782 -2.890 20.066 1.00 0.00 WAT1 ATOM 2580 H1 TIP3 358 -18.152 -2.111 19.626 1.00 0.00 WAT1 ATOM 2581 H2 TIP3 358 -17.283 -2.517 20.824 1.00 0.00 WAT1 ATOM 2582 OH2 TIP3 359 -16.741 -1.670 22.422 1.00 0.00 WAT1 ATOM 2583 H1 TIP3 359 -16.763 -2.436 23.016 1.00 0.00 WAT1 ATOM 2584 H2 TIP3 359 -16.434 -0.938 22.996 1.00 0.00 WAT1 ATOM 2585 OH2 TIP3 360 -15.903 -14.367 17.862 1.00 0.00 WAT1 ATOM 2586 H1 TIP3 360 -16.164 -13.652 18.479 1.00 0.00 WAT1 ATOM 2587 H2 TIP3 360 -16.158 -14.029 16.982 1.00 0.00 WAT1 ATOM 2588 OH2 TIP3 361 -22.709 -14.791 12.980 1.00 0.00 WAT1 ATOM 2589 H1 TIP3 361 -22.997 -15.293 12.213 1.00 0.00 WAT1 ATOM 2590 H2 TIP3 361 -23.304 -15.099 13.701 1.00 0.00 WAT1 ATOM 2591 OH2 TIP3 362 -21.816 -17.654 16.495 1.00 0.00 WAT1 ATOM 2592 H1 TIP3 362 -22.754 -17.883 16.381 1.00 0.00 WAT1 ATOM 2593 H2 TIP3 362 -21.807 -16.672 16.488 1.00 0.00 WAT1 ATOM 2594 OH2 TIP3 363 -16.772 -18.251 13.652 1.00 0.00 WAT1 ATOM 2595 H1 TIP3 363 -17.455 -17.888 13.048 1.00 0.00 WAT1 ATOM 2596 H2 TIP3 363 -16.966 -19.206 13.684 1.00 0.00 WAT1 ATOM 2597 OH2 TIP3 364 -18.400 -18.294 25.255 1.00 0.00 WAT1 ATOM 2598 H1 TIP3 364 -17.522 -18.388 25.655 1.00 0.00 WAT1 ATOM 2599 H2 TIP3 364 -18.929 -17.830 25.946 1.00 0.00 WAT1 ATOM 2600 OH2 TIP3 365 -17.446 -5.243 21.471 1.00 0.00 WAT1 ATOM 2601 H1 TIP3 365 -16.546 -5.230 21.063 1.00 0.00 WAT1 ATOM 2602 H2 TIP3 365 -17.896 -4.473 21.070 1.00 0.00 WAT1 ATOM 2603 OH2 TIP3 366 -18.927 -8.424 31.667 1.00 0.00 WAT1 ATOM 2604 H1 TIP3 366 -19.619 -7.768 31.530 1.00 0.00 WAT1 ATOM 2605 H2 TIP3 366 -19.095 -8.766 32.552 1.00 0.00 WAT1 ATOM 2606 OH2 TIP3 367 -13.990 -15.953 33.964 1.00 0.00 WAT1 ATOM 2607 H1 TIP3 367 -13.379 -16.206 34.665 1.00 0.00 WAT1 ATOM 2608 H2 TIP3 367 -14.722 -16.589 34.046 1.00 0.00 WAT1 ATOM 2609 OH2 TIP3 368 -13.880 -18.314 35.829 1.00 0.00 WAT1 ATOM 2610 H1 TIP3 368 -13.785 -18.385 36.785 1.00 0.00 WAT1 ATOM 2611 H2 TIP3 368 -12.953 -18.375 35.490 1.00 0.00 WAT1 ATOM 2612 OH2 TIP3 369 -15.949 -7.928 27.866 1.00 0.00 WAT1 ATOM 2613 H1 TIP3 369 -16.230 -8.371 28.693 1.00 0.00 WAT1 ATOM 2614 H2 TIP3 369 -15.403 -7.172 28.170 1.00 0.00 WAT1 ATOM 2615 OH2 TIP3 370 -15.241 -3.580 27.418 1.00 0.00 WAT1 ATOM 2616 H1 TIP3 370 -14.700 -3.044 28.033 1.00 0.00 WAT1 ATOM 2617 H2 TIP3 370 -15.115 -4.495 27.729 1.00 0.00 WAT1 ATOM 2618 OH2 TIP3 371 -13.351 -8.909 29.897 1.00 0.00 WAT1 ATOM 2619 H1 TIP3 371 -13.294 -7.971 30.138 1.00 0.00 WAT1 ATOM 2620 H2 TIP3 371 -12.468 -9.114 29.529 1.00 0.00 WAT1 ATOM 2621 OH2 TIP3 372 -14.979 -11.053 29.872 1.00 0.00 WAT1 ATOM 2622 H1 TIP3 372 -14.286 -10.350 29.911 1.00 0.00 WAT1 ATOM 2623 H2 TIP3 372 -15.822 -10.551 29.921 1.00 0.00 WAT1 ATOM 2624 OH2 TIP3 373 -16.506 -17.827 27.501 1.00 0.00 WAT1 ATOM 2625 H1 TIP3 373 -16.653 -16.951 27.938 1.00 0.00 WAT1 ATOM 2626 H2 TIP3 373 -17.175 -18.398 27.895 1.00 0.00 WAT1 ATOM 2627 OH2 TIP3 374 -13.999 -5.902 28.305 1.00 0.00 WAT1 ATOM 2628 H1 TIP3 374 -13.494 -6.002 29.138 1.00 0.00 WAT1 ATOM 2629 H2 TIP3 374 -13.382 -5.428 27.707 1.00 0.00 WAT1 ATOM 2630 OH2 TIP3 375 -16.760 -15.621 29.020 1.00 0.00 WAT1 ATOM 2631 H1 TIP3 375 -16.980 -14.672 29.171 1.00 0.00 WAT1 ATOM 2632 H2 TIP3 375 -16.784 -16.013 29.913 1.00 0.00 WAT1 ATOM 2633 OH2 TIP3 376 -17.250 -9.550 29.805 1.00 0.00 WAT1 ATOM 2634 H1 TIP3 376 -17.761 -9.120 30.527 1.00 0.00 WAT1 ATOM 2635 H2 TIP3 376 -17.924 -10.061 29.309 1.00 0.00 WAT1 ATOM 2636 OH2 TIP3 377 -19.963 -17.089 27.102 1.00 0.00 WAT1 ATOM 2637 H1 TIP3 377 -20.807 -17.522 26.917 1.00 0.00 WAT1 ATOM 2638 H2 TIP3 377 -20.198 -16.166 27.261 1.00 0.00 WAT1 ATOM 2639 OH2 TIP3 378 -19.431 -6.677 24.671 1.00 0.00 WAT1 ATOM 2640 H1 TIP3 378 -18.488 -6.439 24.571 1.00 0.00 WAT1 ATOM 2641 H2 TIP3 378 -19.862 -5.846 24.888 1.00 0.00 WAT1 ATOM 2642 OH2 TIP3 379 -13.391 -13.363 29.907 1.00 0.00 WAT1 ATOM 2643 H1 TIP3 379 -13.860 -13.998 30.499 1.00 0.00 WAT1 ATOM 2644 H2 TIP3 379 -13.821 -12.504 30.092 1.00 0.00 WAT1 ATOM 2645 OH2 TIP3 380 -17.722 -9.398 26.333 1.00 0.00 WAT1 ATOM 2646 H1 TIP3 380 -17.207 -8.794 26.914 1.00 0.00 WAT1 ATOM 2647 H2 TIP3 380 -17.370 -9.218 25.434 1.00 0.00 WAT1 ATOM 2648 OH2 TIP3 381 -13.617 -2.258 29.240 1.00 0.00 WAT1 ATOM 2649 H1 TIP3 381 -13.391 -1.353 28.927 1.00 0.00 WAT1 ATOM 2650 H2 TIP3 381 -12.850 -2.520 29.780 1.00 0.00 WAT1 ATOM 2651 OH2 TIP3 382 -14.867 -10.621 24.572 1.00 0.00 WAT1 ATOM 2652 H1 TIP3 382 -14.420 -9.981 25.168 1.00 0.00 WAT1 ATOM 2653 H2 TIP3 382 -15.567 -10.090 24.143 1.00 0.00 WAT1 ATOM 2654 OH2 TIP3 383 -13.377 -3.641 24.093 1.00 0.00 WAT1 ATOM 2655 H1 TIP3 383 -14.294 -3.376 24.318 1.00 0.00 WAT1 ATOM 2656 H2 TIP3 383 -13.152 -3.092 23.318 1.00 0.00 WAT1 ATOM 2657 OH2 TIP3 384 -13.911 -8.675 26.203 1.00 0.00 WAT1 ATOM 2658 H1 TIP3 384 -13.506 -7.850 25.911 1.00 0.00 WAT1 ATOM 2659 H2 TIP3 384 -14.656 -8.386 26.779 1.00 0.00 WAT1 ATOM 2660 OH2 TIP3 385 -17.355 -13.049 29.648 1.00 0.00 WAT1 ATOM 2661 H1 TIP3 385 -17.975 -12.427 29.215 1.00 0.00 WAT1 ATOM 2662 H2 TIP3 385 -16.829 -12.489 30.235 1.00 0.00 WAT1 ATOM 2663 OH2 TIP3 386 -15.926 -18.031 34.065 1.00 0.00 WAT1 ATOM 2664 H1 TIP3 386 -16.660 -18.544 34.415 1.00 0.00 WAT1 ATOM 2665 H2 TIP3 386 -15.178 -18.236 34.676 1.00 0.00 WAT1 ATOM 2666 OH2 TIP3 387 -15.957 -3.047 24.871 1.00 0.00 WAT1 ATOM 2667 H1 TIP3 387 -16.001 -2.062 24.855 1.00 0.00 WAT1 ATOM 2668 H2 TIP3 387 -15.813 -3.261 25.828 1.00 0.00 WAT1 ATOM 2669 OH2 TIP3 388 -17.892 -8.021 21.475 1.00 0.00 WAT1 ATOM 2670 H1 TIP3 388 -18.064 -8.124 20.521 1.00 0.00 WAT1 ATOM 2671 H2 TIP3 388 -17.830 -7.051 21.600 1.00 0.00 WAT1 ATOM 2672 OH2 TIP3 389 -20.106 -9.305 24.808 1.00 0.00 WAT1 ATOM 2673 H1 TIP3 389 -20.033 -8.329 24.678 1.00 0.00 WAT1 ATOM 2674 H2 TIP3 389 -19.434 -9.500 25.490 1.00 0.00 WAT1 ATOM 2675 OH2 TIP3 390 -18.794 -11.150 28.155 1.00 0.00 WAT1 ATOM 2676 H1 TIP3 390 -19.455 -11.672 27.645 1.00 0.00 WAT1 ATOM 2677 H2 TIP3 390 -18.448 -10.504 27.500 1.00 0.00 WAT1 ATOM 2678 OH2 TIP3 391 -10.895 -9.361 28.775 1.00 0.00 WAT1 ATOM 2679 H1 TIP3 391 -10.549 -8.476 28.531 1.00 0.00 WAT1 ATOM 2680 H2 TIP3 391 -10.178 -9.755 29.325 1.00 0.00 WAT1 ATOM 2681 OH2 TIP3 392 -8.781 -10.439 30.136 1.00 0.00 WAT1 ATOM 2682 H1 TIP3 392 -8.561 -10.961 30.942 1.00 0.00 WAT1 ATOM 2683 H2 TIP3 392 -8.424 -10.975 29.399 1.00 0.00 WAT1 ATOM 2684 OH2 TIP3 393 -9.604 -13.844 32.324 1.00 0.00 WAT1 ATOM 2685 H1 TIP3 393 -9.359 -14.745 32.023 1.00 0.00 WAT1 ATOM 2686 H2 TIP3 393 -10.464 -13.962 32.744 1.00 0.00 WAT1 ATOM 2687 OH2 TIP3 394 -12.788 -16.625 30.004 1.00 0.00 WAT1 ATOM 2688 H1 TIP3 394 -13.273 -16.777 29.169 1.00 0.00 WAT1 ATOM 2689 H2 TIP3 394 -13.431 -16.146 30.571 1.00 0.00 WAT1 ATOM 2690 OH2 TIP3 395 -13.865 -17.036 27.452 1.00 0.00 WAT1 ATOM 2691 H1 TIP3 395 -14.803 -17.324 27.501 1.00 0.00 WAT1 ATOM 2692 H2 TIP3 395 -13.457 -17.667 26.848 1.00 0.00 WAT1 ATOM 2693 OH2 TIP3 396 -11.303 -18.423 35.050 1.00 0.00 WAT1 ATOM 2694 H1 TIP3 396 -10.865 -19.209 34.713 1.00 0.00 WAT1 ATOM 2695 H2 TIP3 396 -10.659 -17.698 34.872 1.00 0.00 WAT1 ATOM 2696 OH2 TIP3 397 -14.596 -15.217 31.440 1.00 0.00 WAT1 ATOM 2697 H1 TIP3 397 -15.467 -15.660 31.444 1.00 0.00 WAT1 ATOM 2698 H2 TIP3 397 -14.275 -15.316 32.368 1.00 0.00 WAT1 ATOM 2699 OH2 TIP3 398 -11.117 -2.469 30.566 1.00 0.00 WAT1 ATOM 2700 H1 TIP3 398 -10.540 -2.772 31.301 1.00 0.00 WAT1 ATOM 2701 H2 TIP3 398 -11.180 -1.509 30.701 1.00 0.00 WAT1 ATOM 2702 OH2 TIP3 399 -21.823 15.912 -9.242 1.00 0.00 WAT1 ATOM 2703 H1 TIP3 399 -22.642 15.382 -9.106 1.00 0.00 WAT1 ATOM 2704 H2 TIP3 399 -21.580 15.738 -10.176 1.00 0.00 WAT1 ATOM 2705 OH2 TIP3 400 -20.878 15.369 -11.774 1.00 0.00 WAT1 ATOM 2706 H1 TIP3 400 -19.955 15.592 -11.494 1.00 0.00 WAT1 ATOM 2707 H2 TIP3 400 -20.963 15.765 -12.647 1.00 0.00 WAT1 ATOM 2708 OH2 TIP3 401 -16.346 19.215 -11.043 1.00 0.00 WAT1 ATOM 2709 H1 TIP3 401 -15.736 19.966 -10.879 1.00 0.00 WAT1 ATOM 2710 H2 TIP3 401 -16.675 19.366 -11.956 1.00 0.00 WAT1 ATOM 2711 OH2 TIP3 402 -14.459 19.494 -18.038 1.00 0.00 WAT1 ATOM 2712 H1 TIP3 402 -14.331 18.900 -18.786 1.00 0.00 WAT1 ATOM 2713 H2 TIP3 402 -15.233 19.111 -17.555 1.00 0.00 WAT1 ATOM 2714 OH2 TIP3 403 -24.081 14.471 -8.823 1.00 0.00 WAT1 ATOM 2715 H1 TIP3 403 -24.441 14.705 -7.943 1.00 0.00 WAT1 ATOM 2716 H2 TIP3 403 -23.873 13.530 -8.749 1.00 0.00 WAT1 ATOM 2717 OH2 TIP3 404 -15.861 16.519 -11.098 1.00 0.00 WAT1 ATOM 2718 H1 TIP3 404 -15.989 17.495 -11.085 1.00 0.00 WAT1 ATOM 2719 H2 TIP3 404 -15.500 16.337 -11.989 1.00 0.00 WAT1 ATOM 2720 OH2 TIP3 405 -18.479 15.817 -10.648 1.00 0.00 WAT1 ATOM 2721 H1 TIP3 405 -18.599 15.640 -9.694 1.00 0.00 WAT1 ATOM 2722 H2 TIP3 405 -17.516 15.980 -10.742 1.00 0.00 WAT1 ATOM 2723 OH2 TIP3 406 -17.278 16.807 -14.625 1.00 0.00 WAT1 ATOM 2724 H1 TIP3 406 -17.830 16.017 -14.645 1.00 0.00 WAT1 ATOM 2725 H2 TIP3 406 -16.409 16.485 -14.287 1.00 0.00 WAT1 ATOM 2726 OH2 TIP3 407 -16.062 21.766 -18.269 1.00 0.00 WAT1 ATOM 2727 H1 TIP3 407 -15.401 21.061 -18.400 1.00 0.00 WAT1 ATOM 2728 H2 TIP3 407 -15.687 22.311 -17.551 1.00 0.00 WAT1 ATOM 2729 OH2 TIP3 408 -16.579 18.646 -16.621 1.00 0.00 WAT1 ATOM 2730 H1 TIP3 408 -17.297 19.305 -16.619 1.00 0.00 WAT1 ATOM 2731 H2 TIP3 408 -16.881 17.960 -15.996 1.00 0.00 WAT1 ATOM 2732 OH2 TIP3 409 -12.760 17.403 -14.285 1.00 0.00 WAT1 ATOM 2733 H1 TIP3 409 -11.798 17.389 -14.266 1.00 0.00 WAT1 ATOM 2734 H2 TIP3 409 -12.979 18.257 -14.724 1.00 0.00 WAT1 ATOM 2735 OH2 TIP3 410 -16.631 10.942 -2.054 1.00 0.00 WAT1 ATOM 2736 H1 TIP3 410 -15.871 10.786 -1.463 1.00 0.00 WAT1 ATOM 2737 H2 TIP3 410 -16.248 10.914 -2.956 1.00 0.00 WAT1 ATOM 2738 OH2 TIP3 411 -21.117 13.220 -4.386 1.00 0.00 WAT1 ATOM 2739 H1 TIP3 411 -21.368 13.589 -3.528 1.00 0.00 WAT1 ATOM 2740 H2 TIP3 411 -21.040 12.255 -4.221 1.00 0.00 WAT1 ATOM 2741 OH2 TIP3 412 -18.605 12.790 -5.641 1.00 0.00 WAT1 ATOM 2742 H1 TIP3 412 -19.417 12.969 -5.122 1.00 0.00 WAT1 ATOM 2743 H2 TIP3 412 -18.929 12.668 -6.553 1.00 0.00 WAT1 ATOM 2744 OH2 TIP3 413 -16.335 11.468 -4.763 1.00 0.00 WAT1 ATOM 2745 H1 TIP3 413 -17.207 11.863 -4.974 1.00 0.00 WAT1 ATOM 2746 H2 TIP3 413 -16.014 11.142 -5.607 1.00 0.00 WAT1 ATOM 2747 OH2 TIP3 414 -13.303 11.156 4.194 1.00 0.00 WAT1 ATOM 2748 H1 TIP3 414 -13.893 11.881 4.494 1.00 0.00 WAT1 ATOM 2749 H2 TIP3 414 -12.977 10.761 5.025 1.00 0.00 WAT1 ATOM 2750 OH2 TIP3 415 -13.886 9.388 2.097 1.00 0.00 WAT1 ATOM 2751 H1 TIP3 415 -14.151 9.916 1.314 1.00 0.00 WAT1 ATOM 2752 H2 TIP3 415 -13.869 10.038 2.825 1.00 0.00 WAT1 ATOM 2753 OH2 TIP3 416 -20.699 10.478 -4.654 1.00 0.00 WAT1 ATOM 2754 H1 TIP3 416 -20.844 9.520 -4.479 1.00 0.00 WAT1 ATOM 2755 H2 TIP3 416 -21.013 10.599 -5.576 1.00 0.00 WAT1 ATOM 2756 OH2 TIP3 417 -23.164 14.909 1.089 1.00 0.00 WAT1 ATOM 2757 H1 TIP3 417 -22.812 15.608 1.685 1.00 0.00 WAT1 ATOM 2758 H2 TIP3 417 -24.140 14.964 1.217 1.00 0.00 WAT1 ATOM 2759 OH2 TIP3 418 -16.732 14.770 -5.761 1.00 0.00 WAT1 ATOM 2760 H1 TIP3 418 -17.291 13.969 -5.679 1.00 0.00 WAT1 ATOM 2761 H2 TIP3 418 -15.934 14.559 -5.258 1.00 0.00 WAT1 ATOM 2762 OH2 TIP3 419 -24.734 14.709 4.348 1.00 0.00 WAT1 ATOM 2763 H1 TIP3 419 -25.210 14.810 3.508 1.00 0.00 WAT1 ATOM 2764 H2 TIP3 419 -23.994 14.104 4.132 1.00 0.00 WAT1 ATOM 2765 OH2 TIP3 420 -14.615 16.236 -8.646 1.00 0.00 WAT1 ATOM 2766 H1 TIP3 420 -13.634 16.192 -8.696 1.00 0.00 WAT1 ATOM 2767 H2 TIP3 420 -14.905 16.217 -9.583 1.00 0.00 WAT1 ATOM 2768 OH2 TIP3 421 -11.743 13.529 6.359 1.00 0.00 WAT1 ATOM 2769 H1 TIP3 421 -11.074 12.967 6.800 1.00 0.00 WAT1 ATOM 2770 H2 TIP3 421 -11.275 14.383 6.211 1.00 0.00 WAT1 ATOM 2771 OH2 TIP3 422 -22.604 13.264 3.294 1.00 0.00 WAT1 ATOM 2772 H1 TIP3 422 -22.687 13.731 2.443 1.00 0.00 WAT1 ATOM 2773 H2 TIP3 422 -21.750 12.827 3.242 1.00 0.00 WAT1 ATOM 2774 OH2 TIP3 423 -24.961 15.238 -6.329 1.00 0.00 WAT1 ATOM 2775 H1 TIP3 423 -24.648 16.056 -5.885 1.00 0.00 WAT1 ATOM 2776 H2 TIP3 423 -25.590 14.841 -5.677 1.00 0.00 WAT1 ATOM 2777 OH2 TIP3 424 -13.018 6.817 2.498 1.00 0.00 WAT1 ATOM 2778 H1 TIP3 424 -13.202 6.326 1.691 1.00 0.00 WAT1 ATOM 2779 H2 TIP3 424 -13.427 7.701 2.339 1.00 0.00 WAT1 ATOM 2780 OH2 TIP3 425 -20.254 16.920 1.594 1.00 0.00 WAT1 ATOM 2781 H1 TIP3 425 -21.023 16.637 2.119 1.00 0.00 WAT1 ATOM 2782 H2 TIP3 425 -20.505 17.811 1.278 1.00 0.00 WAT1 ATOM 2783 OH2 TIP3 426 -21.705 10.921 -7.205 1.00 0.00 WAT1 ATOM 2784 H1 TIP3 426 -22.388 11.571 -6.920 1.00 0.00 WAT1 ATOM 2785 H2 TIP3 426 -22.032 10.597 -8.077 1.00 0.00 WAT1 ATOM 2786 OH2 TIP3 427 -19.043 15.422 7.180 1.00 0.00 WAT1 ATOM 2787 H1 TIP3 427 -18.535 14.764 6.686 1.00 0.00 WAT1 ATOM 2788 H2 TIP3 427 -18.373 15.864 7.745 1.00 0.00 WAT1 ATOM 2789 OH2 TIP3 428 -12.404 15.184 3.340 1.00 0.00 WAT1 ATOM 2790 H1 TIP3 428 -13.388 15.129 3.383 1.00 0.00 WAT1 ATOM 2791 H2 TIP3 428 -12.111 14.836 4.197 1.00 0.00 WAT1 ATOM 2792 OH2 TIP3 429 -17.172 16.826 -7.813 1.00 0.00 WAT1 ATOM 2793 H1 TIP3 429 -17.698 16.025 -7.614 1.00 0.00 WAT1 ATOM 2794 H2 TIP3 429 -16.259 16.487 -7.939 1.00 0.00 WAT1 ATOM 2795 OH2 TIP3 430 -19.209 11.678 -2.648 1.00 0.00 WAT1 ATOM 2796 H1 TIP3 430 -18.411 11.182 -2.365 1.00 0.00 WAT1 ATOM 2797 H2 TIP3 430 -19.620 11.104 -3.328 1.00 0.00 WAT1 ATOM 2798 OH2 TIP3 431 -26.448 14.460 -4.235 1.00 0.00 WAT1 ATOM 2799 H1 TIP3 431 -27.204 13.908 -4.015 1.00 0.00 WAT1 ATOM 2800 H2 TIP3 431 -26.220 14.905 -3.393 1.00 0.00 WAT1 ATOM 2801 OH2 TIP3 432 -22.723 16.894 2.904 1.00 0.00 WAT1 ATOM 2802 H1 TIP3 432 -23.605 17.306 2.827 1.00 0.00 WAT1 ATOM 2803 H2 TIP3 432 -22.255 17.456 3.555 1.00 0.00 WAT1 ATOM 2804 OH2 TIP3 433 -24.531 17.658 -5.071 1.00 0.00 WAT1 ATOM 2805 H1 TIP3 433 -25.017 17.932 -4.265 1.00 0.00 WAT1 ATOM 2806 H2 TIP3 433 -24.489 18.476 -5.611 1.00 0.00 WAT1 ATOM 2807 OH2 TIP3 434 -21.442 15.395 -1.269 1.00 0.00 WAT1 ATOM 2808 H1 TIP3 434 -21.977 15.420 -0.458 1.00 0.00 WAT1 ATOM 2809 H2 TIP3 434 -22.073 15.638 -1.983 1.00 0.00 WAT1 ATOM 2810 OH2 TIP3 435 -19.633 12.323 -8.255 1.00 0.00 WAT1 ATOM 2811 H1 TIP3 435 -20.413 11.871 -7.851 1.00 0.00 WAT1 ATOM 2812 H2 TIP3 435 -19.197 11.627 -8.764 1.00 0.00 WAT1 ATOM 2813 OH2 TIP3 436 -27.574 16.517 -0.144 1.00 0.00 WAT1 ATOM 2814 H1 TIP3 436 -28.532 16.499 -0.042 1.00 0.00 WAT1 ATOM 2815 H2 TIP3 436 -27.343 17.474 -0.089 1.00 0.00 WAT1 ATOM 2816 OH2 TIP3 437 -22.343 10.531 -9.822 1.00 0.00 WAT1 ATOM 2817 H1 TIP3 437 -22.068 11.384 -10.229 1.00 0.00 WAT1 ATOM 2818 H2 TIP3 437 -22.651 10.004 -10.565 1.00 0.00 WAT1 ATOM 2819 OH2 TIP3 438 -23.142 13.064 -6.317 1.00 0.00 WAT1 ATOM 2820 H1 TIP3 438 -23.803 13.771 -6.213 1.00 0.00 WAT1 ATOM 2821 H2 TIP3 438 -22.458 13.275 -5.650 1.00 0.00 WAT1 ATOM 2822 OH2 TIP3 439 -18.219 16.832 -4.936 1.00 0.00 WAT1 ATOM 2823 H1 TIP3 439 -18.891 16.249 -4.568 1.00 0.00 WAT1 ATOM 2824 H2 TIP3 439 -17.588 16.218 -5.382 1.00 0.00 WAT1 ATOM 2825 OH2 TIP3 440 -23.246 18.331 -9.067 1.00 0.00 WAT1 ATOM 2826 H1 TIP3 440 -22.574 17.637 -9.234 1.00 0.00 WAT1 ATOM 2827 H2 TIP3 440 -24.053 17.823 -8.821 1.00 0.00 WAT1 ATOM 2828 OH2 TIP3 441 -24.518 16.448 6.429 1.00 0.00 WAT1 ATOM 2829 H1 TIP3 441 -24.542 15.871 7.199 1.00 0.00 WAT1 ATOM 2830 H2 TIP3 441 -24.573 15.826 5.660 1.00 0.00 WAT1 ATOM 2831 OH2 TIP3 442 -19.372 15.075 -8.123 1.00 0.00 WAT1 ATOM 2832 H1 TIP3 442 -20.269 15.396 -8.352 1.00 0.00 WAT1 ATOM 2833 H2 TIP3 442 -19.458 14.100 -8.123 1.00 0.00 WAT1 ATOM 2834 OH2 TIP3 443 -14.907 15.917 -13.640 1.00 0.00 WAT1 ATOM 2835 H1 TIP3 443 -14.535 15.029 -13.689 1.00 0.00 WAT1 ATOM 2836 H2 TIP3 443 -14.148 16.509 -13.880 1.00 0.00 WAT1 ATOM 2837 OH2 TIP3 444 -21.314 12.922 -10.593 1.00 0.00 WAT1 ATOM 2838 H1 TIP3 444 -20.676 13.034 -9.874 1.00 0.00 WAT1 ATOM 2839 H2 TIP3 444 -21.218 13.739 -11.129 1.00 0.00 WAT1 ATOM 2840 OH2 TIP3 445 -15.102 14.773 3.427 1.00 0.00 WAT1 ATOM 2841 H1 TIP3 445 -15.072 14.136 4.169 1.00 0.00 WAT1 ATOM 2842 H2 TIP3 445 -15.387 14.236 2.659 1.00 0.00 WAT1 ATOM 2843 OH2 TIP3 446 -18.020 10.251 9.731 1.00 0.00 WAT1 ATOM 2844 H1 TIP3 446 -17.857 9.611 9.012 1.00 0.00 WAT1 ATOM 2845 H2 TIP3 446 -17.270 10.114 10.344 1.00 0.00 WAT1 ATOM 2846 OH2 TIP3 447 -14.330 9.614 8.733 1.00 0.00 WAT1 ATOM 2847 H1 TIP3 447 -15.217 9.595 8.327 1.00 0.00 WAT1 ATOM 2848 H2 TIP3 447 -14.250 8.744 9.165 1.00 0.00 WAT1 ATOM 2849 OH2 TIP3 448 -15.822 13.698 0.978 1.00 0.00 WAT1 ATOM 2850 H1 TIP3 448 -16.656 14.205 1.110 1.00 0.00 WAT1 ATOM 2851 H2 TIP3 448 -15.328 14.220 0.314 1.00 0.00 WAT1 ATOM 2852 OH2 TIP3 449 -16.100 14.499 7.396 1.00 0.00 WAT1 ATOM 2853 H1 TIP3 449 -16.359 13.865 8.108 1.00 0.00 WAT1 ATOM 2854 H2 TIP3 449 -16.315 15.374 7.767 1.00 0.00 WAT1 ATOM 2855 OH2 TIP3 450 -14.403 13.254 5.630 1.00 0.00 WAT1 ATOM 2856 H1 TIP3 450 -13.512 13.478 5.975 1.00 0.00 WAT1 ATOM 2857 H2 TIP3 450 -15.023 13.691 6.262 1.00 0.00 WAT1 ATOM 2858 OH2 TIP3 451 -25.724 15.538 1.734 1.00 0.00 WAT1 ATOM 2859 H1 TIP3 451 -25.595 16.434 2.119 1.00 0.00 WAT1 ATOM 2860 H2 TIP3 451 -26.473 15.651 1.120 1.00 0.00 WAT1 ATOM 2861 OH2 TIP3 452 -26.594 19.071 0.099 1.00 0.00 WAT1 ATOM 2862 H1 TIP3 452 -26.117 18.862 0.921 1.00 0.00 WAT1 ATOM 2863 H2 TIP3 452 -26.487 20.048 0.004 1.00 0.00 WAT1 ATOM 2864 OH2 TIP3 453 -25.668 15.693 -1.909 1.00 0.00 WAT1 ATOM 2865 H1 TIP3 453 -26.371 15.913 -1.255 1.00 0.00 WAT1 ATOM 2866 H2 TIP3 453 -25.219 14.900 -1.521 1.00 0.00 WAT1 ATOM 2867 OH2 TIP3 454 -21.183 7.823 -4.316 1.00 0.00 WAT1 ATOM 2868 H1 TIP3 454 -21.250 7.101 -4.949 1.00 0.00 WAT1 ATOM 2869 H2 TIP3 454 -21.392 7.418 -3.469 1.00 0.00 WAT1 ATOM 2870 OH2 TIP3 455 -24.279 13.572 -1.028 1.00 0.00 WAT1 ATOM 2871 H1 TIP3 455 -24.076 12.632 -1.061 1.00 0.00 WAT1 ATOM 2872 H2 TIP3 455 -23.686 13.922 -0.331 1.00 0.00 WAT1 ATOM 2873 OH2 TIP3 456 -25.544 17.042 -8.425 1.00 0.00 WAT1 ATOM 2874 H1 TIP3 456 -25.553 16.586 -7.565 1.00 0.00 WAT1 ATOM 2875 H2 TIP3 456 -25.681 16.332 -9.069 1.00 0.00 WAT1 ATOM 2876 OH2 TIP3 457 -17.852 15.372 1.805 1.00 0.00 WAT1 ATOM 2877 H1 TIP3 457 -18.701 15.853 1.701 1.00 0.00 WAT1 ATOM 2878 H2 TIP3 457 -17.463 15.748 2.603 1.00 0.00 WAT1 ATOM 2879 OH2 TIP3 458 -17.746 7.997 15.530 1.00 0.00 WAT1 ATOM 2880 H1 TIP3 458 -17.808 7.490 16.361 1.00 0.00 WAT1 ATOM 2881 H2 TIP3 458 -17.720 8.930 15.824 1.00 0.00 WAT1 ATOM 2882 OH2 TIP3 459 -21.001 6.189 16.281 1.00 0.00 WAT1 ATOM 2883 H1 TIP3 459 -21.290 6.388 15.371 1.00 0.00 WAT1 ATOM 2884 H2 TIP3 459 -20.849 5.236 16.278 1.00 0.00 WAT1 ATOM 2885 OH2 TIP3 460 -18.752 15.412 17.220 1.00 0.00 WAT1 ATOM 2886 H1 TIP3 460 -19.579 15.726 16.800 1.00 0.00 WAT1 ATOM 2887 H2 TIP3 460 -18.367 14.797 16.562 1.00 0.00 WAT1 ATOM 2888 OH2 TIP3 461 -21.589 6.667 13.582 1.00 0.00 WAT1 ATOM 2889 H1 TIP3 461 -22.298 7.192 13.202 1.00 0.00 WAT1 ATOM 2890 H2 TIP3 461 -20.769 7.193 13.390 1.00 0.00 WAT1 ATOM 2891 OH2 TIP3 462 -17.576 6.436 17.977 1.00 0.00 WAT1 ATOM 2892 H1 TIP3 462 -17.718 6.069 18.874 1.00 0.00 WAT1 ATOM 2893 H2 TIP3 462 -17.306 5.650 17.441 1.00 0.00 WAT1 ATOM 2894 OH2 TIP3 463 -21.009 3.985 14.018 1.00 0.00 WAT1 ATOM 2895 H1 TIP3 463 -21.774 3.443 13.804 1.00 0.00 WAT1 ATOM 2896 H2 TIP3 463 -21.261 4.886 13.727 1.00 0.00 WAT1 ATOM 2897 OH2 TIP3 464 -16.907 3.981 17.024 1.00 0.00 WAT1 ATOM 2898 H1 TIP3 464 -16.843 3.362 16.276 1.00 0.00 WAT1 ATOM 2899 H2 TIP3 464 -16.880 3.404 17.812 1.00 0.00 WAT1 ATOM 2900 OH2 TIP3 465 -14.253 8.860 21.261 1.00 0.00 WAT1 ATOM 2901 H1 TIP3 465 -13.748 9.611 20.914 1.00 0.00 WAT1 ATOM 2902 H2 TIP3 465 -14.757 8.530 20.483 1.00 0.00 WAT1 ATOM 2903 OH2 TIP3 466 -17.082 5.900 13.931 1.00 0.00 WAT1 ATOM 2904 H1 TIP3 466 -17.250 6.561 14.637 1.00 0.00 WAT1 ATOM 2905 H2 TIP3 466 -16.993 6.441 13.120 1.00 0.00 WAT1 ATOM 2906 OH2 TIP3 467 -16.779 8.287 8.221 1.00 0.00 WAT1 ATOM 2907 H1 TIP3 467 -16.189 7.736 8.778 1.00 0.00 WAT1 ATOM 2908 H2 TIP3 467 -17.207 7.655 7.632 1.00 0.00 WAT1 ATOM 2909 OH2 TIP3 468 -19.518 4.082 22.069 1.00 0.00 WAT1 ATOM 2910 H1 TIP3 468 -19.880 4.913 22.383 1.00 0.00 WAT1 ATOM 2911 H2 TIP3 468 -18.831 4.349 21.421 1.00 0.00 WAT1 ATOM 2912 OH2 TIP3 469 -15.897 11.834 16.849 1.00 0.00 WAT1 ATOM 2913 H1 TIP3 469 -16.485 12.550 16.545 1.00 0.00 WAT1 ATOM 2914 H2 TIP3 469 -16.506 11.098 17.050 1.00 0.00 WAT1 ATOM 2915 OH2 TIP3 470 -16.945 7.607 11.783 1.00 0.00 WAT1 ATOM 2916 H1 TIP3 470 -16.431 7.118 11.124 1.00 0.00 WAT1 ATOM 2917 H2 TIP3 470 -16.538 8.502 11.784 1.00 0.00 WAT1 ATOM 2918 OH2 TIP3 471 -17.511 13.648 15.481 1.00 0.00 WAT1 ATOM 2919 H1 TIP3 471 -16.635 13.709 15.051 1.00 0.00 WAT1 ATOM 2920 H2 TIP3 471 -18.121 13.433 14.745 1.00 0.00 WAT1 ATOM 2921 OH2 TIP3 472 -12.187 15.771 24.936 1.00 0.00 WAT1 ATOM 2922 H1 TIP3 472 -12.571 16.627 25.243 1.00 0.00 WAT1 ATOM 2923 H2 TIP3 472 -12.873 15.405 24.341 1.00 0.00 WAT1 ATOM 2924 OH2 TIP3 473 -19.332 23.366 15.075 1.00 0.00 WAT1 ATOM 2925 H1 TIP3 473 -19.399 24.342 15.060 1.00 0.00 WAT1 ATOM 2926 H2 TIP3 473 -20.084 23.067 14.513 1.00 0.00 WAT1 ATOM 2927 OH2 TIP3 474 -19.800 1.350 22.097 1.00 0.00 WAT1 ATOM 2928 H1 TIP3 474 -20.714 1.240 22.371 1.00 0.00 WAT1 ATOM 2929 H2 TIP3 474 -19.664 2.325 22.100 1.00 0.00 WAT1 ATOM 2930 OH2 TIP3 475 -15.771 10.033 11.262 1.00 0.00 WAT1 ATOM 2931 H1 TIP3 475 -15.042 10.206 10.643 1.00 0.00 WAT1 ATOM 2932 H2 TIP3 475 -15.928 10.903 11.698 1.00 0.00 WAT1 ATOM 2933 OH2 TIP3 476 -19.398 8.029 13.153 1.00 0.00 WAT1 ATOM 2934 H1 TIP3 476 -18.652 7.772 12.577 1.00 0.00 WAT1 ATOM 2935 H2 TIP3 476 -19.020 8.006 14.057 1.00 0.00 WAT1 ATOM 2936 OH2 TIP3 477 -18.325 3.406 14.066 1.00 0.00 WAT1 ATOM 2937 H1 TIP3 477 -17.952 4.310 14.032 1.00 0.00 WAT1 ATOM 2938 H2 TIP3 477 -19.295 3.546 14.049 1.00 0.00 WAT1 ATOM 2939 OH2 TIP3 478 -19.745 8.141 17.785 1.00 0.00 WAT1 ATOM 2940 H1 TIP3 478 -19.021 7.544 18.048 1.00 0.00 WAT1 ATOM 2941 H2 TIP3 478 -20.367 7.558 17.297 1.00 0.00 WAT1 ATOM 2942 OH2 TIP3 479 -16.675 2.497 19.405 1.00 0.00 WAT1 ATOM 2943 H1 TIP3 479 -17.165 1.693 19.697 1.00 0.00 WAT1 ATOM 2944 H2 TIP3 479 -15.748 2.286 19.586 1.00 0.00 WAT1 ATOM 2945 OH2 TIP3 480 -18.900 13.201 13.160 1.00 0.00 WAT1 ATOM 2946 H1 TIP3 480 -19.139 12.317 12.791 1.00 0.00 WAT1 ATOM 2947 H2 TIP3 480 -19.711 13.480 13.650 1.00 0.00 WAT1 ATOM 2948 OH2 TIP3 481 -14.849 6.961 9.703 1.00 0.00 WAT1 ATOM 2949 H1 TIP3 481 -14.534 6.553 10.548 1.00 0.00 WAT1 ATOM 2950 H2 TIP3 481 -14.269 6.560 9.017 1.00 0.00 WAT1 ATOM 2951 OH2 TIP3 482 -16.389 12.542 12.122 1.00 0.00 WAT1 ATOM 2952 H1 TIP3 482 -15.858 12.882 12.870 1.00 0.00 WAT1 ATOM 2953 H2 TIP3 482 -17.315 12.720 12.388 1.00 0.00 WAT1 ATOM 2954 OH2 TIP3 483 -16.327 14.360 21.498 1.00 0.00 WAT1 ATOM 2955 H1 TIP3 483 -16.671 14.800 20.685 1.00 0.00 WAT1 ATOM 2956 H2 TIP3 483 -16.961 13.658 21.671 1.00 0.00 WAT1 ATOM 2957 OH2 TIP3 484 -12.907 5.944 8.069 1.00 0.00 WAT1 ATOM 2958 H1 TIP3 484 -13.000 5.808 7.097 1.00 0.00 WAT1 ATOM 2959 H2 TIP3 484 -12.237 6.652 8.141 1.00 0.00 WAT1 ATOM 2960 OH2 TIP3 485 -11.259 11.213 22.217 1.00 0.00 WAT1 ATOM 2961 H1 TIP3 485 -11.592 11.611 23.059 1.00 0.00 WAT1 ATOM 2962 H2 TIP3 485 -12.053 11.180 21.637 1.00 0.00 WAT1 ATOM 2963 OH2 TIP3 486 -15.520 7.982 18.997 1.00 0.00 WAT1 ATOM 2964 H1 TIP3 486 -16.215 7.489 18.520 1.00 0.00 WAT1 ATOM 2965 H2 TIP3 486 -14.905 8.273 18.294 1.00 0.00 WAT1 ATOM 2966 OH2 TIP3 487 -19.270 10.724 12.138 1.00 0.00 WAT1 ATOM 2967 H1 TIP3 487 -19.030 10.561 11.203 1.00 0.00 WAT1 ATOM 2968 H2 TIP3 487 -19.422 9.834 12.504 1.00 0.00 WAT1 ATOM 2969 OH2 TIP3 488 -21.044 16.310 15.982 1.00 0.00 WAT1 ATOM 2970 H1 TIP3 488 -21.925 16.533 16.293 1.00 0.00 WAT1 ATOM 2971 H2 TIP3 488 -20.668 17.178 15.695 1.00 0.00 WAT1 ATOM 2972 OH2 TIP3 489 -18.230 10.316 17.030 1.00 0.00 WAT1 ATOM 2973 H1 TIP3 489 -18.819 11.070 16.903 1.00 0.00 WAT1 ATOM 2974 H2 TIP3 489 -18.805 9.629 17.441 1.00 0.00 WAT1 ATOM 2975 OH2 TIP3 490 -16.822 12.755 9.364 1.00 0.00 WAT1 ATOM 2976 H1 TIP3 490 -17.432 11.992 9.360 1.00 0.00 WAT1 ATOM 2977 H2 TIP3 490 -16.588 12.866 10.306 1.00 0.00 WAT1 ATOM 2978 OH2 TIP3 491 -15.674 17.478 24.110 1.00 0.00 WAT1 ATOM 2979 H1 TIP3 491 -16.622 17.604 24.236 1.00 0.00 WAT1 ATOM 2980 H2 TIP3 491 -15.542 17.607 23.140 1.00 0.00 WAT1 ATOM 2981 OH2 TIP3 492 -23.373 18.982 6.215 1.00 0.00 WAT1 ATOM 2982 H1 TIP3 492 -22.563 18.831 5.692 1.00 0.00 WAT1 ATOM 2983 H2 TIP3 492 -23.672 18.081 6.458 1.00 0.00 WAT1 ATOM 2984 OH2 TIP3 493 -18.430 15.755 12.037 1.00 0.00 WAT1 ATOM 2985 H1 TIP3 493 -18.459 14.863 12.426 1.00 0.00 WAT1 ATOM 2986 H2 TIP3 493 -19.363 15.931 11.788 1.00 0.00 WAT1 ATOM 2987 OH2 TIP3 494 -17.807 0.246 20.592 1.00 0.00 WAT1 ATOM 2988 H1 TIP3 494 -17.384 -0.352 21.234 1.00 0.00 WAT1 ATOM 2989 H2 TIP3 494 -18.570 0.628 21.086 1.00 0.00 WAT1 ATOM 2990 OH2 TIP3 495 -21.110 15.601 11.355 1.00 0.00 WAT1 ATOM 2991 H1 TIP3 495 -21.856 16.196 11.470 1.00 0.00 WAT1 ATOM 2992 H2 TIP3 495 -21.206 15.268 10.436 1.00 0.00 WAT1 ATOM 2993 OH2 TIP3 496 -20.898 13.747 14.934 1.00 0.00 WAT1 ATOM 2994 H1 TIP3 496 -20.917 14.679 15.242 1.00 0.00 WAT1 ATOM 2995 H2 TIP3 496 -21.742 13.389 15.214 1.00 0.00 WAT1 ATOM 2996 OH2 TIP3 497 -17.518 4.923 20.353 1.00 0.00 WAT1 ATOM 2997 H1 TIP3 497 -16.665 5.211 20.701 1.00 0.00 WAT1 ATOM 2998 H2 TIP3 497 -17.331 4.039 19.958 1.00 0.00 WAT1 ATOM 2999 OH2 TIP3 498 -21.150 14.713 8.781 1.00 0.00 WAT1 ATOM 3000 H1 TIP3 498 -21.010 13.762 8.745 1.00 0.00 WAT1 ATOM 3001 H2 TIP3 498 -20.496 15.075 8.146 1.00 0.00 WAT1 ATOM 3002 OH2 TIP3 499 -14.375 15.122 23.331 1.00 0.00 WAT1 ATOM 3003 H1 TIP3 499 -15.001 14.716 22.690 1.00 0.00 WAT1 ATOM 3004 H2 TIP3 499 -14.899 15.827 23.760 1.00 0.00 WAT1 ATOM 3005 OH2 TIP3 500 -11.356 8.319 7.776 1.00 0.00 WAT1 ATOM 3006 H1 TIP3 500 -11.834 9.040 7.310 1.00 0.00 WAT1 ATOM 3007 H2 TIP3 500 -11.094 8.715 8.615 1.00 0.00 WAT1 ATOM 3008 OH2 TIP3 501 -14.272 5.630 25.691 1.00 0.00 WAT1 ATOM 3009 H1 TIP3 501 -14.408 6.232 24.923 1.00 0.00 WAT1 ATOM 3010 H2 TIP3 501 -13.743 4.894 25.327 1.00 0.00 WAT1 ATOM 3011 OH2 TIP3 502 -14.858 7.288 23.520 1.00 0.00 WAT1 ATOM 3012 H1 TIP3 502 -15.787 7.452 23.344 1.00 0.00 WAT1 ATOM 3013 H2 TIP3 502 -14.390 7.817 22.839 1.00 0.00 WAT1 ATOM 3014 OH2 TIP3 503 -15.814 5.231 27.881 1.00 0.00 WAT1 ATOM 3015 H1 TIP3 503 -15.239 5.395 27.092 1.00 0.00 WAT1 ATOM 3016 H2 TIP3 503 -16.655 5.636 27.647 1.00 0.00 WAT1 ATOM 3017 OH2 TIP3 504 -15.860 2.477 27.880 1.00 0.00 WAT1 ATOM 3018 H1 TIP3 504 -15.648 2.153 28.785 1.00 0.00 WAT1 ATOM 3019 H2 TIP3 504 -15.821 3.454 27.960 1.00 0.00 WAT1 ATOM 3020 OH2 TIP3 505 -20.568 18.948 15.377 1.00 0.00 WAT1 ATOM 3021 H1 TIP3 505 -20.741 19.299 14.473 1.00 0.00 WAT1 ATOM 3022 H2 TIP3 505 -20.530 19.745 15.937 1.00 0.00 WAT1 ATOM 3023 OH2 TIP3 506 -12.856 16.533 21.436 1.00 0.00 WAT1 ATOM 3024 H1 TIP3 506 -13.642 17.095 21.324 1.00 0.00 WAT1 ATOM 3025 H2 TIP3 506 -13.140 15.857 22.075 1.00 0.00 WAT1 ATOM 3026 OH2 TIP3 507 -11.972 12.528 24.437 1.00 0.00 WAT1 ATOM 3027 H1 TIP3 507 -12.620 13.134 24.807 1.00 0.00 WAT1 ATOM 3028 H2 TIP3 507 -11.187 12.632 25.017 1.00 0.00 WAT1 ATOM 3029 OH2 TIP3 508 -9.508 5.854 12.820 1.00 0.00 WAT1 ATOM 3030 H1 TIP3 508 -10.447 5.681 12.702 1.00 0.00 WAT1 ATOM 3031 H2 TIP3 508 -9.368 6.719 12.384 1.00 0.00 WAT1 ATOM 3032 OH2 TIP3 509 -12.789 6.205 5.332 1.00 0.00 WAT1 ATOM 3033 H1 TIP3 509 -12.353 7.071 5.262 1.00 0.00 WAT1 ATOM 3034 H2 TIP3 509 -13.027 5.987 4.415 1.00 0.00 WAT1 ATOM 3035 OH2 TIP3 510 -13.870 5.519 11.744 1.00 0.00 WAT1 ATOM 3036 H1 TIP3 510 -14.227 5.092 12.553 1.00 0.00 WAT1 ATOM 3037 H2 TIP3 510 -13.643 4.772 11.159 1.00 0.00 WAT1 ATOM 3038 OH2 TIP3 511 -15.057 4.075 13.738 1.00 0.00 WAT1 ATOM 3039 H1 TIP3 511 -15.762 4.748 13.879 1.00 0.00 WAT1 ATOM 3040 H2 TIP3 511 -15.326 3.327 14.315 1.00 0.00 WAT1 ATOM 3041 OH2 TIP3 512 -17.280 15.892 19.429 1.00 0.00 WAT1 ATOM 3042 H1 TIP3 512 -17.464 16.848 19.504 1.00 0.00 WAT1 ATOM 3043 H2 TIP3 512 -17.786 15.615 18.624 1.00 0.00 WAT1 ATOM 3044 OH2 TIP3 513 -15.606 17.417 21.395 1.00 0.00 WAT1 ATOM 3045 H1 TIP3 513 -16.202 18.060 20.954 1.00 0.00 WAT1 ATOM 3046 H2 TIP3 513 -15.826 16.569 20.974 1.00 0.00 WAT1 ATOM 3047 OH2 TIP3 514 -14.543 -2.251 14.463 1.00 0.00 WAT1 ATOM 3048 H1 TIP3 514 -14.928 -1.489 13.985 1.00 0.00 WAT1 ATOM 3049 H2 TIP3 514 -13.726 -1.894 14.863 1.00 0.00 WAT1 ATOM 3050 OH2 TIP3 515 -15.443 0.011 13.004 1.00 0.00 WAT1 ATOM 3051 H1 TIP3 515 -16.053 -0.173 12.283 1.00 0.00 WAT1 ATOM 3052 H2 TIP3 515 -14.854 0.717 12.645 1.00 0.00 WAT1 ATOM 3053 OH2 TIP3 516 -16.264 1.915 14.954 1.00 0.00 WAT1 ATOM 3054 H1 TIP3 516 -16.054 1.126 14.419 1.00 0.00 WAT1 ATOM 3055 H2 TIP3 516 -17.126 2.229 14.594 1.00 0.00 WAT1 ATOM 3056 OH2 TIP3 517 -24.719 21.126 5.231 1.00 0.00 WAT1 ATOM 3057 H1 TIP3 517 -25.265 21.397 6.002 1.00 0.00 WAT1 ATOM 3058 H2 TIP3 517 -24.105 20.447 5.599 1.00 0.00 WAT1 ATOM 3059 OH2 TIP3 518 -17.649 1.036 26.386 1.00 0.00 WAT1 ATOM 3060 H1 TIP3 518 -17.047 1.547 26.967 1.00 0.00 WAT1 ATOM 3061 H2 TIP3 518 -18.512 1.431 26.534 1.00 0.00 WAT1 ATOM 3062 OH2 TIP3 519 -13.569 17.926 25.824 1.00 0.00 WAT1 ATOM 3063 H1 TIP3 519 -13.813 18.624 26.437 1.00 0.00 WAT1 ATOM 3064 H2 TIP3 519 -14.350 17.835 25.237 1.00 0.00 WAT1 ATOM 3065 OH2 TIP3 520 -15.117 1.397 30.288 1.00 0.00 WAT1 ATOM 3066 H1 TIP3 520 -15.102 1.803 31.162 1.00 0.00 WAT1 ATOM 3067 H2 TIP3 520 -15.472 0.489 30.450 1.00 0.00 WAT1 ATOM 3068 OH2 TIP3 521 -9.889 13.058 26.133 1.00 0.00 WAT1 ATOM 3069 H1 TIP3 521 -10.107 13.840 26.691 1.00 0.00 WAT1 ATOM 3070 H2 TIP3 521 -9.704 12.347 26.780 1.00 0.00 WAT1 ATOM 3071 OH2 TIP3 522 -10.718 8.964 26.765 1.00 0.00 WAT1 ATOM 3072 H1 TIP3 522 -10.484 9.079 25.824 1.00 0.00 WAT1 ATOM 3073 H2 TIP3 522 -10.248 9.691 27.214 1.00 0.00 WAT1 ATOM 3074 OH2 TIP3 523 -12.206 3.864 30.041 1.00 0.00 WAT1 ATOM 3075 H1 TIP3 523 -12.971 4.421 30.291 1.00 0.00 WAT1 ATOM 3076 H2 TIP3 523 -11.970 4.181 29.142 1.00 0.00 WAT1 ATOM 3077 OH2 TIP3 524 -11.875 6.877 31.344 1.00 0.00 WAT1 ATOM 3078 H1 TIP3 524 -12.790 6.561 31.254 1.00 0.00 WAT1 ATOM 3079 H2 TIP3 524 -11.694 7.319 30.504 1.00 0.00 WAT1 ATOM 3080 OH2 TIP3 525 -14.092 5.881 29.930 1.00 0.00 WAT1 ATOM 3081 H1 TIP3 525 -14.822 5.600 29.341 1.00 0.00 WAT1 ATOM 3082 H2 TIP3 525 -13.609 6.551 29.407 1.00 0.00 WAT1 ATOM 3083 OH2 TIP3 526 -11.873 4.972 27.550 1.00 0.00 WAT1 ATOM 3084 H1 TIP3 526 -12.460 5.737 27.427 1.00 0.00 WAT1 ATOM 3085 H2 TIP3 526 -12.091 4.379 26.801 1.00 0.00 WAT1 ATOM 3086 OH2 TIP3 527 -12.617 3.369 25.307 1.00 0.00 WAT1 ATOM 3087 H1 TIP3 527 -12.207 3.101 24.466 1.00 0.00 WAT1 ATOM 3088 H2 TIP3 527 -13.091 2.562 25.609 1.00 0.00 WAT1 ATOM 3089 OH2 TIP3 528 -13.977 1.197 26.327 1.00 0.00 WAT1 ATOM 3090 H1 TIP3 528 -13.527 0.763 27.080 1.00 0.00 WAT1 ATOM 3091 H2 TIP3 528 -14.729 1.672 26.742 1.00 0.00 WAT1 ATOM 3092 OH2 TIP3 529 -15.786 -1.213 30.629 1.00 0.00 WAT1 ATOM 3093 H1 TIP3 529 -15.102 -1.686 30.114 1.00 0.00 WAT1 ATOM 3094 H2 TIP3 529 -16.458 -1.880 30.800 1.00 0.00 WAT1 ATOM 3095 OH2 TIP3 530 -13.005 0.374 28.812 1.00 0.00 WAT1 ATOM 3096 H1 TIP3 530 -13.702 0.827 29.335 1.00 0.00 WAT1 ATOM 3097 H2 TIP3 530 -12.168 0.781 29.127 1.00 0.00 WAT1 ATOM 3098 OH2 TIP3 531 -28.954 35.639 -34.447 1.00 0.00 WAT1 ATOM 3099 H1 TIP3 531 -28.553 35.769 -35.326 1.00 0.00 WAT1 ATOM 3100 H2 TIP3 531 -28.646 36.410 -33.927 1.00 0.00 WAT1 ATOM 3101 OH2 TIP3 532 -32.261 37.755 -30.538 1.00 0.00 WAT1 ATOM 3102 H1 TIP3 532 -31.391 37.383 -30.830 1.00 0.00 WAT1 ATOM 3103 H2 TIP3 532 -32.608 38.208 -31.333 1.00 0.00 WAT1 ATOM 3104 OH2 TIP3 533 -27.347 36.976 -44.308 1.00 0.00 WAT1 ATOM 3105 H1 TIP3 533 -28.246 36.657 -44.077 1.00 0.00 WAT1 ATOM 3106 H2 TIP3 533 -26.871 36.962 -43.473 1.00 0.00 WAT1 ATOM 3107 OH2 TIP3 534 -30.433 34.128 -28.273 1.00 0.00 WAT1 ATOM 3108 H1 TIP3 534 -30.028 33.956 -29.141 1.00 0.00 WAT1 ATOM 3109 H2 TIP3 534 -31.277 34.571 -28.488 1.00 0.00 WAT1 ATOM 3110 OH2 TIP3 535 -26.784 41.141 -35.240 1.00 0.00 WAT1 ATOM 3111 H1 TIP3 535 -27.541 41.641 -35.607 1.00 0.00 WAT1 ATOM 3112 H2 TIP3 535 -26.010 41.711 -35.427 1.00 0.00 WAT1 ATOM 3113 OH2 TIP3 536 -28.381 37.856 -32.909 1.00 0.00 WAT1 ATOM 3114 H1 TIP3 536 -29.238 38.314 -33.067 1.00 0.00 WAT1 ATOM 3115 H2 TIP3 536 -27.744 38.586 -32.775 1.00 0.00 WAT1 ATOM 3116 OH2 TIP3 537 -31.544 33.098 -36.065 1.00 0.00 WAT1 ATOM 3117 H1 TIP3 537 -31.660 32.316 -36.612 1.00 0.00 WAT1 ATOM 3118 H2 TIP3 537 -30.935 33.674 -36.594 1.00 0.00 WAT1 ATOM 3119 OH2 TIP3 538 -20.024 27.105 -14.696 1.00 0.00 WAT1 ATOM 3120 H1 TIP3 538 -20.017 26.241 -15.166 1.00 0.00 WAT1 ATOM 3121 H2 TIP3 538 -20.186 27.763 -15.405 1.00 0.00 WAT1 ATOM 3122 OH2 TIP3 539 -17.890 29.961 -19.460 1.00 0.00 WAT1 ATOM 3123 H1 TIP3 539 -17.807 30.759 -20.032 1.00 0.00 WAT1 ATOM 3124 H2 TIP3 539 -17.731 29.222 -20.059 1.00 0.00 WAT1 ATOM 3125 OH2 TIP3 540 -26.204 33.948 -23.462 1.00 0.00 WAT1 ATOM 3126 H1 TIP3 540 -26.446 33.676 -24.378 1.00 0.00 WAT1 ATOM 3127 H2 TIP3 540 -25.323 33.591 -23.335 1.00 0.00 WAT1 ATOM 3128 OH2 TIP3 541 -17.986 32.337 -20.800 1.00 0.00 WAT1 ATOM 3129 H1 TIP3 541 -18.551 32.440 -21.599 1.00 0.00 WAT1 ATOM 3130 H2 TIP3 541 -18.279 33.048 -20.214 1.00 0.00 WAT1 ATOM 3131 OH2 TIP3 542 -23.085 34.544 -19.259 1.00 0.00 WAT1 ATOM 3132 H1 TIP3 542 -23.020 33.580 -19.382 1.00 0.00 WAT1 ATOM 3133 H2 TIP3 542 -23.175 34.899 -20.167 1.00 0.00 WAT1 ATOM 3134 OH2 TIP3 543 -18.295 20.910 -16.929 1.00 0.00 WAT1 ATOM 3135 H1 TIP3 543 -18.253 21.678 -16.324 1.00 0.00 WAT1 ATOM 3136 H2 TIP3 543 -17.654 21.136 -17.640 1.00 0.00 WAT1 ATOM 3137 OH2 TIP3 544 -10.696 20.770 -16.298 1.00 0.00 WAT1 ATOM 3138 H1 TIP3 544 -11.150 21.563 -16.654 1.00 0.00 WAT1 ATOM 3139 H2 TIP3 544 -9.806 20.818 -16.685 1.00 0.00 WAT1 ATOM 3140 OH2 TIP3 545 -20.691 29.271 -16.342 1.00 0.00 WAT1 ATOM 3141 H1 TIP3 545 -21.604 29.334 -16.689 1.00 0.00 WAT1 ATOM 3142 H2 TIP3 545 -20.686 29.876 -15.580 1.00 0.00 WAT1 ATOM 3143 OH2 TIP3 546 -25.785 29.958 -15.894 1.00 0.00 WAT1 ATOM 3144 H1 TIP3 546 -26.481 29.492 -16.412 1.00 0.00 WAT1 ATOM 3145 H2 TIP3 546 -26.279 30.559 -15.325 1.00 0.00 WAT1 ATOM 3146 OH2 TIP3 547 -18.540 33.883 -18.046 1.00 0.00 WAT1 ATOM 3147 H1 TIP3 547 -19.123 33.110 -17.899 1.00 0.00 WAT1 ATOM 3148 H2 TIP3 547 -17.641 33.495 -18.123 1.00 0.00 WAT1 ATOM 3149 OH2 TIP3 548 -12.832 23.507 -14.443 1.00 0.00 WAT1 ATOM 3150 H1 TIP3 548 -12.940 24.003 -13.606 1.00 0.00 WAT1 ATOM 3151 H2 TIP3 548 -12.286 22.725 -14.183 1.00 0.00 WAT1 ATOM 3152 OH2 TIP3 549 -15.055 22.950 -15.949 1.00 0.00 WAT1 ATOM 3153 H1 TIP3 549 -15.163 22.124 -15.427 1.00 0.00 WAT1 ATOM 3154 H2 TIP3 549 -14.311 23.409 -15.507 1.00 0.00 WAT1 ATOM 3155 OH2 TIP3 550 -23.224 35.710 -21.765 1.00 0.00 WAT1 ATOM 3156 H1 TIP3 550 -23.521 36.223 -22.525 1.00 0.00 WAT1 ATOM 3157 H2 TIP3 550 -22.252 35.624 -21.901 1.00 0.00 WAT1 ATOM 3158 OH2 TIP3 551 -23.195 30.387 -16.682 1.00 0.00 WAT1 ATOM 3159 H1 TIP3 551 -24.139 30.185 -16.489 1.00 0.00 WAT1 ATOM 3160 H2 TIP3 551 -22.938 31.008 -15.984 1.00 0.00 WAT1 ATOM 3161 OH2 TIP3 552 -20.137 33.591 -15.298 1.00 0.00 WAT1 ATOM 3162 H1 TIP3 552 -20.633 34.223 -15.868 1.00 0.00 WAT1 ATOM 3163 H2 TIP3 552 -20.773 32.872 -15.130 1.00 0.00 WAT1 ATOM 3164 OH2 TIP3 553 -28.504 26.225 -15.941 1.00 0.00 WAT1 ATOM 3165 H1 TIP3 553 -28.601 26.017 -14.986 1.00 0.00 WAT1 ATOM 3166 H2 TIP3 553 -28.791 25.424 -16.387 1.00 0.00 WAT1 ATOM 3167 OH2 TIP3 554 -19.940 32.963 -22.616 1.00 0.00 WAT1 ATOM 3168 H1 TIP3 554 -20.723 32.411 -22.387 1.00 0.00 WAT1 ATOM 3169 H2 TIP3 554 -20.236 33.880 -22.438 1.00 0.00 WAT1 ATOM 3170 OH2 TIP3 555 -27.981 28.658 -16.954 1.00 0.00 WAT1 ATOM 3171 H1 TIP3 555 -28.026 27.743 -16.581 1.00 0.00 WAT1 ATOM 3172 H2 TIP3 555 -28.878 28.998 -16.852 1.00 0.00 WAT1 ATOM 3173 OH2 TIP3 556 -31.793 31.788 -20.488 1.00 0.00 WAT1 ATOM 3174 H1 TIP3 556 -32.029 31.789 -21.424 1.00 0.00 WAT1 ATOM 3175 H2 TIP3 556 -30.948 31.276 -20.455 1.00 0.00 WAT1 ATOM 3176 OH2 TIP3 557 -20.567 35.650 -22.384 1.00 0.00 WAT1 ATOM 3177 H1 TIP3 557 -20.054 36.407 -22.018 1.00 0.00 WAT1 ATOM 3178 H2 TIP3 557 -20.289 35.603 -23.327 1.00 0.00 WAT1 ATOM 3179 OH2 TIP3 558 -27.147 37.856 -23.060 1.00 0.00 WAT1 ATOM 3180 H1 TIP3 558 -26.702 37.501 -22.261 1.00 0.00 WAT1 ATOM 3181 H2 TIP3 558 -27.711 37.112 -23.370 1.00 0.00 WAT1 ATOM 3182 OH2 TIP3 559 -15.609 24.410 -11.429 1.00 0.00 WAT1 ATOM 3183 H1 TIP3 559 -14.681 24.324 -11.749 1.00 0.00 WAT1 ATOM 3184 H2 TIP3 559 -15.537 24.266 -10.461 1.00 0.00 WAT1 ATOM 3185 OH2 TIP3 560 -17.495 19.297 -13.557 1.00 0.00 WAT1 ATOM 3186 H1 TIP3 560 -17.516 18.388 -13.931 1.00 0.00 WAT1 ATOM 3187 H2 TIP3 560 -18.417 19.613 -13.646 1.00 0.00 WAT1 ATOM 3188 OH2 TIP3 561 -17.067 22.410 -12.623 1.00 0.00 WAT1 ATOM 3189 H1 TIP3 561 -16.472 23.052 -12.167 1.00 0.00 WAT1 ATOM 3190 H2 TIP3 561 -16.449 21.796 -13.079 1.00 0.00 WAT1 ATOM 3191 OH2 TIP3 562 -20.004 24.569 -15.899 1.00 0.00 WAT1 ATOM 3192 H1 TIP3 562 -20.155 24.435 -16.842 1.00 0.00 WAT1 ATOM 3193 H2 TIP3 562 -19.163 24.087 -15.718 1.00 0.00 WAT1 ATOM 3194 OH2 TIP3 563 -20.889 22.911 -13.774 1.00 0.00 WAT1 ATOM 3195 H1 TIP3 563 -20.863 23.413 -14.608 1.00 0.00 WAT1 ATOM 3196 H2 TIP3 563 -20.335 23.441 -13.162 1.00 0.00 WAT1 ATOM 3197 OH2 TIP3 564 -16.697 30.895 -16.794 1.00 0.00 WAT1 ATOM 3198 H1 TIP3 564 -16.370 31.606 -17.386 1.00 0.00 WAT1 ATOM 3199 H2 TIP3 564 -17.068 30.237 -17.403 1.00 0.00 WAT1 ATOM 3200 OH2 TIP3 565 -22.229 31.720 -21.748 1.00 0.00 WAT1 ATOM 3201 H1 TIP3 565 -22.331 31.704 -20.771 1.00 0.00 WAT1 ATOM 3202 H2 TIP3 565 -22.960 31.188 -22.070 1.00 0.00 WAT1 ATOM 3203 OH2 TIP3 566 -26.200 26.356 -13.277 1.00 0.00 WAT1 ATOM 3204 H1 TIP3 566 -25.800 25.467 -13.220 1.00 0.00 WAT1 ATOM 3205 H2 TIP3 566 -27.159 26.182 -13.304 1.00 0.00 WAT1 ATOM 3206 OH2 TIP3 567 -19.858 31.301 -18.060 1.00 0.00 WAT1 ATOM 3207 H1 TIP3 567 -20.116 30.616 -17.414 1.00 0.00 WAT1 ATOM 3208 H2 TIP3 567 -19.193 30.853 -18.624 1.00 0.00 WAT1 ATOM 3209 OH2 TIP3 568 -28.447 35.555 -23.772 1.00 0.00 WAT1 ATOM 3210 H1 TIP3 568 -29.009 35.049 -24.388 1.00 0.00 WAT1 ATOM 3211 H2 TIP3 568 -27.700 34.952 -23.579 1.00 0.00 WAT1 ATOM 3212 OH2 TIP3 569 -22.477 31.750 -19.028 1.00 0.00 WAT1 ATOM 3213 H1 TIP3 569 -22.918 31.236 -18.321 1.00 0.00 WAT1 ATOM 3214 H2 TIP3 569 -21.531 31.738 -18.774 1.00 0.00 WAT1 ATOM 3215 OH2 TIP3 570 -19.776 34.775 -24.847 1.00 0.00 WAT1 ATOM 3216 H1 TIP3 570 -19.642 34.583 -25.779 1.00 0.00 WAT1 ATOM 3217 H2 TIP3 570 -19.620 33.924 -24.400 1.00 0.00 WAT1 ATOM 3218 OH2 TIP3 571 -18.252 26.907 -12.577 1.00 0.00 WAT1 ATOM 3219 H1 TIP3 571 -18.849 27.119 -13.329 1.00 0.00 WAT1 ATOM 3220 H2 TIP3 571 -17.585 27.602 -12.598 1.00 0.00 WAT1 ATOM 3221 OH2 TIP3 572 -17.748 23.136 -15.362 1.00 0.00 WAT1 ATOM 3222 H1 TIP3 572 -17.615 22.879 -14.432 1.00 0.00 WAT1 ATOM 3223 H2 TIP3 572 -16.840 23.307 -15.695 1.00 0.00 WAT1 ATOM 3224 OH2 TIP3 573 -19.078 24.329 -12.333 1.00 0.00 WAT1 ATOM 3225 H1 TIP3 573 -18.744 25.256 -12.418 1.00 0.00 WAT1 ATOM 3226 H2 TIP3 573 -18.285 23.777 -12.473 1.00 0.00 WAT1 ATOM 3227 OH2 TIP3 574 -27.176 33.333 -25.946 1.00 0.00 WAT1 ATOM 3228 H1 TIP3 574 -27.137 33.357 -26.906 1.00 0.00 WAT1 ATOM 3229 H2 TIP3 574 -28.137 33.408 -25.743 1.00 0.00 WAT1 ATOM 3230 OH2 TIP3 575 -15.345 20.846 -14.247 1.00 0.00 WAT1 ATOM 3231 H1 TIP3 575 -16.017 20.133 -14.227 1.00 0.00 WAT1 ATOM 3232 H2 TIP3 575 -14.533 20.402 -14.581 1.00 0.00 WAT1 ATOM 3233 OH2 TIP3 576 -15.131 34.773 -15.497 1.00 0.00 WAT1 ATOM 3234 H1 TIP3 576 -14.299 34.319 -15.235 1.00 0.00 WAT1 ATOM 3235 H2 TIP3 576 -15.032 34.906 -16.458 1.00 0.00 WAT1 ATOM 3236 OH2 TIP3 577 -32.274 33.543 -24.297 1.00 0.00 WAT1 ATOM 3237 H1 TIP3 577 -32.631 34.307 -24.802 1.00 0.00 WAT1 ATOM 3238 H2 TIP3 577 -32.704 33.606 -23.441 1.00 0.00 WAT1 ATOM 3239 OH2 TIP3 578 -27.878 28.473 -19.722 1.00 0.00 WAT1 ATOM 3240 H1 TIP3 578 -27.463 27.634 -19.942 1.00 0.00 WAT1 ATOM 3241 H2 TIP3 578 -27.818 28.524 -18.747 1.00 0.00 WAT1 ATOM 3242 OH2 TIP3 579 -24.350 28.027 -14.424 1.00 0.00 WAT1 ATOM 3243 H1 TIP3 579 -24.877 28.626 -14.985 1.00 0.00 WAT1 ATOM 3244 H2 TIP3 579 -25.026 27.477 -13.964 1.00 0.00 WAT1 ATOM 3245 OH2 TIP3 580 -22.248 26.825 -12.995 1.00 0.00 WAT1 ATOM 3246 H1 TIP3 580 -21.459 26.896 -13.569 1.00 0.00 WAT1 ATOM 3247 H2 TIP3 580 -22.976 27.189 -13.543 1.00 0.00 WAT1 ATOM 3248 OH2 TIP3 581 -28.837 25.443 -13.331 1.00 0.00 WAT1 ATOM 3249 H1 TIP3 581 -28.982 24.526 -13.077 1.00 0.00 WAT1 ATOM 3250 H2 TIP3 581 -29.312 25.961 -12.635 1.00 0.00 WAT1 ATOM 3251 OH2 TIP3 582 -22.765 26.629 -10.356 1.00 0.00 WAT1 ATOM 3252 H1 TIP3 582 -21.974 27.022 -9.974 1.00 0.00 WAT1 ATOM 3253 H2 TIP3 582 -22.612 26.675 -11.329 1.00 0.00 WAT1 ATOM 3254 OH2 TIP3 583 -24.842 24.883 -10.159 1.00 0.00 WAT1 ATOM 3255 H1 TIP3 583 -24.128 25.568 -10.143 1.00 0.00 WAT1 ATOM 3256 H2 TIP3 583 -25.100 24.830 -11.096 1.00 0.00 WAT1 ATOM 3257 OH2 TIP3 584 -20.253 19.236 -16.097 1.00 0.00 WAT1 ATOM 3258 H1 TIP3 584 -20.620 18.795 -16.869 1.00 0.00 WAT1 ATOM 3259 H2 TIP3 584 -19.576 19.848 -16.468 1.00 0.00 WAT1 ATOM 3260 OH2 TIP3 585 -25.131 23.853 -12.944 1.00 0.00 WAT1 ATOM 3261 H1 TIP3 585 -25.417 22.934 -13.003 1.00 0.00 WAT1 ATOM 3262 H2 TIP3 585 -24.242 23.852 -13.330 1.00 0.00 WAT1 ATOM 3263 OH2 TIP3 586 -20.150 20.265 -13.598 1.00 0.00 WAT1 ATOM 3264 H1 TIP3 586 -20.335 19.815 -14.455 1.00 0.00 WAT1 ATOM 3265 H2 TIP3 586 -20.521 21.171 -13.719 1.00 0.00 WAT1 ATOM 3266 OH2 TIP3 587 -32.029 34.383 -19.551 1.00 0.00 WAT1 ATOM 3267 H1 TIP3 587 -32.905 34.432 -20.001 1.00 0.00 WAT1 ATOM 3268 H2 TIP3 587 -31.666 33.521 -19.839 1.00 0.00 WAT1 ATOM 3269 OH2 TIP3 588 -14.456 35.027 -18.226 1.00 0.00 WAT1 ATOM 3270 H1 TIP3 588 -14.689 35.986 -18.148 1.00 0.00 WAT1 ATOM 3271 H2 TIP3 588 -13.503 35.029 -18.373 1.00 0.00 WAT1 ATOM 3272 OH2 TIP3 589 -14.725 35.533 -12.626 1.00 0.00 WAT1 ATOM 3273 H1 TIP3 589 -13.808 35.213 -12.460 1.00 0.00 WAT1 ATOM 3274 H2 TIP3 589 -14.854 35.401 -13.580 1.00 0.00 WAT1 ATOM 3275 OH2 TIP3 590 -16.086 32.868 -18.565 1.00 0.00 WAT1 ATOM 3276 H1 TIP3 590 -16.079 32.648 -19.510 1.00 0.00 WAT1 ATOM 3277 H2 TIP3 590 -15.433 33.603 -18.483 1.00 0.00 WAT1 ATOM 3278 OH2 TIP3 591 -14.903 27.328 -11.082 1.00 0.00 WAT1 ATOM 3279 H1 TIP3 591 -15.135 26.398 -11.239 1.00 0.00 WAT1 ATOM 3280 H2 TIP3 591 -14.656 27.358 -10.144 1.00 0.00 WAT1 ATOM 3281 OH2 TIP3 592 -14.866 23.799 -8.900 1.00 0.00 WAT1 ATOM 3282 H1 TIP3 592 -15.070 23.615 -7.965 1.00 0.00 WAT1 ATOM 3283 H2 TIP3 592 -14.079 24.405 -8.852 1.00 0.00 WAT1 ATOM 3284 OH2 TIP3 593 -11.922 23.137 -17.052 1.00 0.00 WAT1 ATOM 3285 H1 TIP3 593 -12.700 23.292 -17.599 1.00 0.00 WAT1 ATOM 3286 H2 TIP3 593 -12.194 23.436 -16.156 1.00 0.00 WAT1 ATOM 3287 OH2 TIP3 594 -14.211 17.753 -6.428 1.00 0.00 WAT1 ATOM 3288 H1 TIP3 594 -13.427 17.352 -6.009 1.00 0.00 WAT1 ATOM 3289 H2 TIP3 594 -14.385 17.177 -7.203 1.00 0.00 WAT1 ATOM 3290 OH2 TIP3 595 -14.893 21.491 -10.340 1.00 0.00 WAT1 ATOM 3291 H1 TIP3 595 -14.840 22.318 -9.811 1.00 0.00 WAT1 ATOM 3292 H2 TIP3 595 -13.967 21.332 -10.615 1.00 0.00 WAT1 ATOM 3293 OH2 TIP3 596 -13.180 19.742 -15.621 1.00 0.00 WAT1 ATOM 3294 H1 TIP3 596 -12.272 20.079 -15.777 1.00 0.00 WAT1 ATOM 3295 H2 TIP3 596 -13.569 19.682 -16.522 1.00 0.00 WAT1 ATOM 3296 OH2 TIP3 597 -21.547 35.220 -17.132 1.00 0.00 WAT1 ATOM 3297 H1 TIP3 597 -22.201 34.916 -17.804 1.00 0.00 WAT1 ATOM 3298 H2 TIP3 597 -20.828 35.623 -17.668 1.00 0.00 WAT1 ATOM 3299 OH2 TIP3 598 -18.572 37.013 -11.832 1.00 0.00 WAT1 ATOM 3300 H1 TIP3 598 -18.995 36.917 -12.713 1.00 0.00 WAT1 ATOM 3301 H2 TIP3 598 -18.652 37.966 -11.636 1.00 0.00 WAT1 ATOM 3302 OH2 TIP3 599 -17.741 35.843 -15.767 1.00 0.00 WAT1 ATOM 3303 H1 TIP3 599 -16.896 35.405 -15.526 1.00 0.00 WAT1 ATOM 3304 H2 TIP3 599 -18.124 35.264 -16.449 1.00 0.00 WAT1 ATOM 3305 OH2 TIP3 600 -33.260 35.819 -25.433 1.00 0.00 WAT1 ATOM 3306 H1 TIP3 600 -32.656 36.434 -25.908 1.00 0.00 WAT1 ATOM 3307 H2 TIP3 600 -34.083 35.829 -25.968 1.00 0.00 WAT1 ATOM 3308 OH2 TIP3 601 -25.118 20.286 -8.947 1.00 0.00 WAT1 ATOM 3309 H1 TIP3 601 -24.389 19.638 -9.076 1.00 0.00 WAT1 ATOM 3310 H2 TIP3 601 -25.923 19.761 -9.059 1.00 0.00 WAT1 ATOM 3311 OH2 TIP3 602 -29.831 33.805 -25.553 1.00 0.00 WAT1 ATOM 3312 H1 TIP3 602 -30.108 33.900 -26.493 1.00 0.00 WAT1 ATOM 3313 H2 TIP3 602 -30.660 33.562 -25.083 1.00 0.00 WAT1 ATOM 3314 OH2 TIP3 603 -22.337 28.377 -1.758 1.00 0.00 WAT1 ATOM 3315 H1 TIP3 603 -22.499 28.955 -2.527 1.00 0.00 WAT1 ATOM 3316 H2 TIP3 603 -22.017 27.537 -2.148 1.00 0.00 WAT1 ATOM 3317 OH2 TIP3 604 -23.189 30.505 -3.543 1.00 0.00 WAT1 ATOM 3318 H1 TIP3 604 -23.574 31.147 -4.149 1.00 0.00 WAT1 ATOM 3319 H2 TIP3 604 -23.429 30.842 -2.654 1.00 0.00 WAT1 ATOM 3320 OH2 TIP3 605 -25.832 26.007 -4.642 1.00 0.00 WAT1 ATOM 3321 H1 TIP3 605 -26.603 26.087 -4.051 1.00 0.00 WAT1 ATOM 3322 H2 TIP3 605 -25.158 25.551 -4.090 1.00 0.00 WAT1 ATOM 3323 OH2 TIP3 606 -26.149 24.809 -1.907 1.00 0.00 WAT1 ATOM 3324 H1 TIP3 606 -26.119 24.575 -0.959 1.00 0.00 WAT1 ATOM 3325 H2 TIP3 606 -25.253 24.603 -2.235 1.00 0.00 WAT1 ATOM 3326 OH2 TIP3 607 -25.361 20.717 2.598 1.00 0.00 WAT1 ATOM 3327 H1 TIP3 607 -25.440 21.553 2.120 1.00 0.00 WAT1 ATOM 3328 H2 TIP3 607 -25.177 20.987 3.525 1.00 0.00 WAT1 ATOM 3329 OH2 TIP3 608 -24.217 31.459 -1.170 1.00 0.00 WAT1 ATOM 3330 H1 TIP3 608 -23.696 31.498 -0.343 1.00 0.00 WAT1 ATOM 3331 H2 TIP3 608 -24.847 30.728 -1.014 1.00 0.00 WAT1 ATOM 3332 OH2 TIP3 609 -21.396 25.855 -2.592 1.00 0.00 WAT1 ATOM 3333 H1 TIP3 609 -20.860 25.607 -1.790 1.00 0.00 WAT1 ATOM 3334 H2 TIP3 609 -20.804 25.665 -3.340 1.00 0.00 WAT1 ATOM 3335 OH2 TIP3 610 -27.117 28.664 6.417 1.00 0.00 WAT1 ATOM 3336 H1 TIP3 610 -27.252 28.953 5.496 1.00 0.00 WAT1 ATOM 3337 H2 TIP3 610 -26.200 28.942 6.623 1.00 0.00 WAT1 ATOM 3338 OH2 TIP3 611 -25.723 33.883 5.461 1.00 0.00 WAT1 ATOM 3339 H1 TIP3 611 -25.051 33.215 5.719 1.00 0.00 WAT1 ATOM 3340 H2 TIP3 611 -26.544 33.354 5.335 1.00 0.00 WAT1 ATOM 3341 OH2 TIP3 612 -26.840 29.801 3.806 1.00 0.00 WAT1 ATOM 3342 H1 TIP3 612 -25.920 29.456 3.789 1.00 0.00 WAT1 ATOM 3343 H2 TIP3 612 -27.092 29.856 2.860 1.00 0.00 WAT1 ATOM 3344 OH2 TIP3 613 -31.446 31.896 -1.300 1.00 0.00 WAT1 ATOM 3345 H1 TIP3 613 -31.211 32.851 -1.177 1.00 0.00 WAT1 ATOM 3346 H2 TIP3 613 -30.659 31.421 -0.999 1.00 0.00 WAT1 ATOM 3347 OH2 TIP3 614 -25.579 32.125 1.799 1.00 0.00 WAT1 ATOM 3348 H1 TIP3 614 -26.316 31.529 1.569 1.00 0.00 WAT1 ATOM 3349 H2 TIP3 614 -24.779 31.558 1.719 1.00 0.00 WAT1 ATOM 3350 OH2 TIP3 615 -23.799 25.457 -6.432 1.00 0.00 WAT1 ATOM 3351 H1 TIP3 615 -24.611 25.622 -5.904 1.00 0.00 WAT1 ATOM 3352 H2 TIP3 615 -23.216 26.191 -6.204 1.00 0.00 WAT1 ATOM 3353 OH2 TIP3 616 -23.532 25.476 0.633 1.00 0.00 WAT1 ATOM 3354 H1 TIP3 616 -23.263 26.423 0.601 1.00 0.00 WAT1 ATOM 3355 H2 TIP3 616 -22.664 24.986 0.676 1.00 0.00 WAT1 ATOM 3356 OH2 TIP3 617 -25.916 24.256 0.819 1.00 0.00 WAT1 ATOM 3357 H1 TIP3 617 -26.350 24.515 1.660 1.00 0.00 WAT1 ATOM 3358 H2 TIP3 617 -25.081 24.778 0.809 1.00 0.00 WAT1 ATOM 3359 OH2 TIP3 618 -18.973 20.831 -11.266 1.00 0.00 WAT1 ATOM 3360 H1 TIP3 618 -19.490 20.518 -12.046 1.00 0.00 WAT1 ATOM 3361 H2 TIP3 618 -18.298 21.426 -11.659 1.00 0.00 WAT1 ATOM 3362 OH2 TIP3 619 -29.360 26.287 -5.265 1.00 0.00 WAT1 ATOM 3363 H1 TIP3 619 -28.939 26.287 -4.369 1.00 0.00 WAT1 ATOM 3364 H2 TIP3 619 -30.059 25.629 -5.194 1.00 0.00 WAT1 ATOM 3365 OH2 TIP3 620 -23.763 24.721 -3.347 1.00 0.00 WAT1 ATOM 3366 H1 TIP3 620 -23.376 23.852 -3.533 1.00 0.00 WAT1 ATOM 3367 H2 TIP3 620 -22.999 25.261 -3.041 1.00 0.00 WAT1 ATOM 3368 OH2 TIP3 621 -21.664 22.660 -4.489 1.00 0.00 WAT1 ATOM 3369 H1 TIP3 621 -22.335 22.609 -5.195 1.00 0.00 WAT1 ATOM 3370 H2 TIP3 621 -21.132 23.463 -4.718 1.00 0.00 WAT1 ATOM 3371 OH2 TIP3 622 -23.515 22.611 -9.329 1.00 0.00 WAT1 ATOM 3372 H1 TIP3 622 -24.025 23.410 -9.605 1.00 0.00 WAT1 ATOM 3373 H2 TIP3 622 -24.163 21.877 -9.403 1.00 0.00 WAT1 ATOM 3374 OH2 TIP3 623 -26.478 27.327 10.393 1.00 0.00 WAT1 ATOM 3375 H1 TIP3 623 -25.519 27.372 10.587 1.00 0.00 WAT1 ATOM 3376 H2 TIP3 623 -26.820 28.167 10.707 1.00 0.00 WAT1 ATOM 3377 OH2 TIP3 624 -23.564 20.094 -3.598 1.00 0.00 WAT1 ATOM 3378 H1 TIP3 624 -24.228 19.575 -3.104 1.00 0.00 WAT1 ATOM 3379 H2 TIP3 624 -23.964 20.216 -4.477 1.00 0.00 WAT1 ATOM 3380 OH2 TIP3 625 -24.280 28.664 3.899 1.00 0.00 WAT1 ATOM 3381 H1 TIP3 625 -24.179 27.716 3.652 1.00 0.00 WAT1 ATOM 3382 H2 TIP3 625 -23.511 29.108 3.471 1.00 0.00 WAT1 ATOM 3383 OH2 TIP3 626 -29.976 29.031 -8.383 1.00 0.00 WAT1 ATOM 3384 H1 TIP3 626 -30.847 29.051 -7.928 1.00 0.00 WAT1 ATOM 3385 H2 TIP3 626 -30.208 29.072 -9.333 1.00 0.00 WAT1 ATOM 3386 OH2 TIP3 627 -28.912 24.988 1.610 1.00 0.00 WAT1 ATOM 3387 H1 TIP3 627 -28.266 25.097 2.330 1.00 0.00 WAT1 ATOM 3388 H2 TIP3 627 -28.883 24.028 1.405 1.00 0.00 WAT1 ATOM 3389 OH2 TIP3 628 -24.187 34.380 2.311 1.00 0.00 WAT1 ATOM 3390 H1 TIP3 628 -24.637 33.514 2.179 1.00 0.00 WAT1 ATOM 3391 H2 TIP3 628 -24.910 34.981 2.576 1.00 0.00 WAT1 ATOM 3392 OH2 TIP3 629 -24.458 20.228 -6.216 1.00 0.00 WAT1 ATOM 3393 H1 TIP3 629 -24.115 21.146 -6.157 1.00 0.00 WAT1 ATOM 3394 H2 TIP3 629 -24.911 20.202 -7.081 1.00 0.00 WAT1 ATOM 3395 OH2 TIP3 630 -26.997 26.170 -8.838 1.00 0.00 WAT1 ATOM 3396 H1 TIP3 630 -26.188 25.686 -9.106 1.00 0.00 WAT1 ATOM 3397 H2 TIP3 630 -27.601 26.048 -9.581 1.00 0.00 WAT1 ATOM 3398 OH2 TIP3 631 -26.116 21.745 -0.140 1.00 0.00 WAT1 ATOM 3399 H1 TIP3 631 -26.288 22.645 0.216 1.00 0.00 WAT1 ATOM 3400 H2 TIP3 631 -25.244 21.836 -0.585 1.00 0.00 WAT1 ATOM 3401 OH2 TIP3 632 -27.787 32.158 4.935 1.00 0.00 WAT1 ATOM 3402 H1 TIP3 632 -28.593 31.788 5.301 1.00 0.00 WAT1 ATOM 3403 H2 TIP3 632 -27.366 31.402 4.471 1.00 0.00 WAT1 ATOM 3404 OH2 TIP3 633 -23.525 38.751 5.893 1.00 0.00 WAT1 ATOM 3405 H1 TIP3 633 -23.877 37.842 6.047 1.00 0.00 WAT1 ATOM 3406 H2 TIP3 633 -22.624 38.726 6.274 1.00 0.00 WAT1 ATOM 3407 OH2 TIP3 634 -24.000 26.125 8.257 1.00 0.00 WAT1 ATOM 3408 H1 TIP3 634 -23.664 25.307 7.830 1.00 0.00 WAT1 ATOM 3409 H2 TIP3 634 -24.956 26.136 8.036 1.00 0.00 WAT1 ATOM 3410 OH2 TIP3 635 -26.719 26.348 7.857 1.00 0.00 WAT1 ATOM 3411 H1 TIP3 635 -26.993 27.127 7.318 1.00 0.00 WAT1 ATOM 3412 H2 TIP3 635 -26.780 26.668 8.787 1.00 0.00 WAT1 ATOM 3413 OH2 TIP3 636 -22.386 27.875 0.925 1.00 0.00 WAT1 ATOM 3414 H1 TIP3 636 -22.176 28.209 0.024 1.00 0.00 WAT1 ATOM 3415 H2 TIP3 636 -22.342 28.671 1.493 1.00 0.00 WAT1 ATOM 3416 OH2 TIP3 637 -20.006 28.084 2.994 1.00 0.00 WAT1 ATOM 3417 H1 TIP3 637 -20.784 28.688 3.074 1.00 0.00 WAT1 ATOM 3418 H2 TIP3 637 -19.941 27.905 2.029 1.00 0.00 WAT1 ATOM 3419 OH2 TIP3 638 -26.659 24.927 3.396 1.00 0.00 WAT1 ATOM 3420 H1 TIP3 638 -26.845 24.574 4.295 1.00 0.00 WAT1 ATOM 3421 H2 TIP3 638 -25.878 25.489 3.522 1.00 0.00 WAT1 ATOM 3422 OH2 TIP3 639 -23.856 26.001 3.320 1.00 0.00 WAT1 ATOM 3423 H1 TIP3 639 -23.806 25.109 3.743 1.00 0.00 WAT1 ATOM 3424 H2 TIP3 639 -23.682 25.825 2.371 1.00 0.00 WAT1 ATOM 3425 OH2 TIP3 640 -26.778 24.190 6.130 1.00 0.00 WAT1 ATOM 3426 H1 TIP3 640 -26.635 23.429 6.711 1.00 0.00 WAT1 ATOM 3427 H2 TIP3 640 -26.841 24.954 6.743 1.00 0.00 WAT1 ATOM 3428 OH2 TIP3 641 -25.019 29.045 -0.043 1.00 0.00 WAT1 ATOM 3429 H1 TIP3 641 -24.509 28.344 -0.476 1.00 0.00 WAT1 ATOM 3430 H2 TIP3 641 -24.367 29.479 0.556 1.00 0.00 WAT1 ATOM 3431 OH2 TIP3 642 -17.434 21.629 -9.095 1.00 0.00 WAT1 ATOM 3432 H1 TIP3 642 -18.153 21.441 -9.730 1.00 0.00 WAT1 ATOM 3433 H2 TIP3 642 -16.629 21.664 -9.650 1.00 0.00 WAT1 ATOM 3434 OH2 TIP3 643 -29.776 26.360 -0.644 1.00 0.00 WAT1 ATOM 3435 H1 TIP3 643 -29.364 25.935 0.144 1.00 0.00 WAT1 ATOM 3436 H2 TIP3 643 -30.709 26.404 -0.423 1.00 0.00 WAT1 ATOM 3437 OH2 TIP3 644 -28.176 26.271 -2.858 1.00 0.00 WAT1 ATOM 3438 H1 TIP3 644 -27.480 25.720 -2.424 1.00 0.00 WAT1 ATOM 3439 H2 TIP3 644 -28.807 26.469 -2.127 1.00 0.00 WAT1 ATOM 3440 OH2 TIP3 645 -28.599 22.293 1.139 1.00 0.00 WAT1 ATOM 3441 H1 TIP3 645 -28.839 21.505 1.634 1.00 0.00 WAT1 ATOM 3442 H2 TIP3 645 -27.934 21.983 0.501 1.00 0.00 WAT1 ATOM 3443 OH2 TIP3 646 -24.113 31.881 6.529 1.00 0.00 WAT1 ATOM 3444 H1 TIP3 646 -24.379 30.942 6.637 1.00 0.00 WAT1 ATOM 3445 H2 TIP3 646 -23.990 32.204 7.452 1.00 0.00 WAT1 ATOM 3446 OH2 TIP3 647 -26.670 37.119 0.989 1.00 0.00 WAT1 ATOM 3447 H1 TIP3 647 -26.494 36.662 1.834 1.00 0.00 WAT1 ATOM 3448 H2 TIP3 647 -26.303 38.019 1.123 1.00 0.00 WAT1 ATOM 3449 OH2 TIP3 648 -27.965 31.728 -1.222 1.00 0.00 WAT1 ATOM 3450 H1 TIP3 648 -27.947 31.712 -2.200 1.00 0.00 WAT1 ATOM 3451 H2 TIP3 648 -27.712 32.632 -0.998 1.00 0.00 WAT1 ATOM 3452 OH2 TIP3 649 -25.331 32.992 -3.202 1.00 0.00 WAT1 ATOM 3453 H1 TIP3 649 -24.945 32.563 -2.408 1.00 0.00 WAT1 ATOM 3454 H2 TIP3 649 -25.056 33.927 -3.126 1.00 0.00 WAT1 ATOM 3455 OH2 TIP3 650 -25.498 18.429 -2.487 1.00 0.00 WAT1 ATOM 3456 H1 TIP3 650 -25.892 18.858 -1.702 1.00 0.00 WAT1 ATOM 3457 H2 TIP3 650 -25.556 17.474 -2.289 1.00 0.00 WAT1 ATOM 3458 OH2 TIP3 651 -23.197 15.900 -3.285 1.00 0.00 WAT1 ATOM 3459 H1 TIP3 651 -24.051 15.734 -2.849 1.00 0.00 WAT1 ATOM 3460 H2 TIP3 651 -23.403 16.569 -3.962 1.00 0.00 WAT1 ATOM 3461 OH2 TIP3 652 -23.476 22.779 -6.608 1.00 0.00 WAT1 ATOM 3462 H1 TIP3 652 -23.700 22.647 -7.551 1.00 0.00 WAT1 ATOM 3463 H2 TIP3 652 -23.654 23.743 -6.454 1.00 0.00 WAT1 ATOM 3464 OH2 TIP3 653 -25.371 18.053 2.720 1.00 0.00 WAT1 ATOM 3465 H1 TIP3 653 -25.755 17.962 3.623 1.00 0.00 WAT1 ATOM 3466 H2 TIP3 653 -25.257 19.029 2.610 1.00 0.00 WAT1 ATOM 3467 OH2 TIP3 654 -26.166 18.411 5.295 1.00 0.00 WAT1 ATOM 3468 H1 TIP3 654 -25.720 17.729 5.835 1.00 0.00 WAT1 ATOM 3469 H2 TIP3 654 -25.673 19.221 5.482 1.00 0.00 WAT1 ATOM 3470 OH2 TIP3 655 -18.942 31.014 11.854 1.00 0.00 WAT1 ATOM 3471 H1 TIP3 655 -18.496 31.154 10.994 1.00 0.00 WAT1 ATOM 3472 H2 TIP3 655 -19.879 30.883 11.618 1.00 0.00 WAT1 ATOM 3473 OH2 TIP3 656 -19.779 26.127 15.155 1.00 0.00 WAT1 ATOM 3474 H1 TIP3 656 -19.564 26.953 14.700 1.00 0.00 WAT1 ATOM 3475 H2 TIP3 656 -19.186 26.123 15.938 1.00 0.00 WAT1 ATOM 3476 OH2 TIP3 657 -17.870 25.837 17.115 1.00 0.00 WAT1 ATOM 3477 H1 TIP3 657 -17.043 25.344 16.907 1.00 0.00 WAT1 ATOM 3478 H2 TIP3 657 -17.618 26.784 17.016 1.00 0.00 WAT1 ATOM 3479 OH2 TIP3 658 -23.608 22.661 12.120 1.00 0.00 WAT1 ATOM 3480 H1 TIP3 658 -23.189 21.790 11.890 1.00 0.00 WAT1 ATOM 3481 H2 TIP3 658 -24.546 22.543 11.885 1.00 0.00 WAT1 ATOM 3482 OH2 TIP3 659 -22.471 25.414 14.859 1.00 0.00 WAT1 ATOM 3483 H1 TIP3 659 -22.547 24.793 15.600 1.00 0.00 WAT1 ATOM 3484 H2 TIP3 659 -21.545 25.727 14.903 1.00 0.00 WAT1 ATOM 3485 OH2 TIP3 660 -11.461 24.214 20.144 1.00 0.00 WAT1 ATOM 3486 H1 TIP3 660 -11.519 24.847 19.393 1.00 0.00 WAT1 ATOM 3487 H2 TIP3 660 -11.340 24.774 20.915 1.00 0.00 WAT1 ATOM 3488 OH2 TIP3 661 -21.348 32.473 10.581 1.00 0.00 WAT1 ATOM 3489 H1 TIP3 661 -20.998 32.387 9.674 1.00 0.00 WAT1 ATOM 3490 H2 TIP3 661 -20.963 33.311 10.911 1.00 0.00 WAT1 ATOM 3491 OH2 TIP3 662 -17.774 18.594 20.082 1.00 0.00 WAT1 ATOM 3492 H1 TIP3 662 -18.664 18.539 20.446 1.00 0.00 WAT1 ATOM 3493 H2 TIP3 662 -17.812 19.377 19.480 1.00 0.00 WAT1 ATOM 3494 OH2 TIP3 663 -22.780 22.960 16.369 1.00 0.00 WAT1 ATOM 3495 H1 TIP3 663 -23.706 22.711 16.297 1.00 0.00 WAT1 ATOM 3496 H2 TIP3 663 -22.417 22.806 15.465 1.00 0.00 WAT1 ATOM 3497 OH2 TIP3 664 -15.246 33.852 12.322 1.00 0.00 WAT1 ATOM 3498 H1 TIP3 664 -16.220 33.734 12.367 1.00 0.00 WAT1 ATOM 3499 H2 TIP3 664 -14.929 33.046 11.895 1.00 0.00 WAT1 ATOM 3500 OH2 TIP3 665 -17.973 33.646 12.068 1.00 0.00 WAT1 ATOM 3501 H1 TIP3 665 -18.220 32.699 12.090 1.00 0.00 WAT1 ATOM 3502 H2 TIP3 665 -18.830 34.113 12.018 1.00 0.00 WAT1 ATOM 3503 OH2 TIP3 666 -21.823 29.529 10.994 1.00 0.00 WAT1 ATOM 3504 H1 TIP3 666 -22.287 30.369 11.102 1.00 0.00 WAT1 ATOM 3505 H2 TIP3 666 -22.540 28.856 10.974 1.00 0.00 WAT1 ATOM 3506 OH2 TIP3 667 -11.442 25.961 18.013 1.00 0.00 WAT1 ATOM 3507 H1 TIP3 667 -10.713 25.704 17.411 1.00 0.00 WAT1 ATOM 3508 H2 TIP3 667 -11.554 26.918 17.846 1.00 0.00 WAT1 ATOM 3509 OH2 TIP3 668 -18.093 29.105 13.759 1.00 0.00 WAT1 ATOM 3510 H1 TIP3 668 -18.520 29.824 13.244 1.00 0.00 WAT1 ATOM 3511 H2 TIP3 668 -17.422 28.757 13.163 1.00 0.00 WAT1 ATOM 3512 OH2 TIP3 669 -23.702 27.514 10.607 1.00 0.00 WAT1 ATOM 3513 H1 TIP3 669 -23.723 27.044 9.744 1.00 0.00 WAT1 ATOM 3514 H2 TIP3 669 -23.549 26.793 11.268 1.00 0.00 WAT1 ATOM 3515 OH2 TIP3 670 -20.397 34.891 11.628 1.00 0.00 WAT1 ATOM 3516 H1 TIP3 670 -20.099 35.697 11.147 1.00 0.00 WAT1 ATOM 3517 H2 TIP3 670 -20.973 35.230 12.323 1.00 0.00 WAT1 ATOM 3518 OH2 TIP3 671 -17.031 35.672 10.181 1.00 0.00 WAT1 ATOM 3519 H1 TIP3 671 -17.921 36.076 10.250 1.00 0.00 WAT1 ATOM 3520 H2 TIP3 671 -17.087 34.876 10.748 1.00 0.00 WAT1 ATOM 3521 OH2 TIP3 672 -23.455 25.411 12.285 1.00 0.00 WAT1 ATOM 3522 H1 TIP3 672 -23.468 24.447 12.120 1.00 0.00 WAT1 ATOM 3523 H2 TIP3 672 -23.167 25.489 13.222 1.00 0.00 WAT1 ATOM 3524 OH2 TIP3 673 -14.798 23.991 11.235 1.00 0.00 WAT1 ATOM 3525 H1 TIP3 673 -14.353 24.559 10.597 1.00 0.00 WAT1 ATOM 3526 H2 TIP3 673 -14.475 24.312 12.111 1.00 0.00 WAT1 ATOM 3527 OH2 TIP3 674 -24.715 20.671 9.817 1.00 0.00 WAT1 ATOM 3528 H1 TIP3 674 -25.277 21.183 10.429 1.00 0.00 WAT1 ATOM 3529 H2 TIP3 674 -23.981 20.332 10.389 1.00 0.00 WAT1 ATOM 3530 OH2 TIP3 675 -26.258 22.444 11.321 1.00 0.00 WAT1 ATOM 3531 H1 TIP3 675 -27.027 22.299 11.885 1.00 0.00 WAT1 ATOM 3532 H2 TIP3 675 -26.434 23.295 10.892 1.00 0.00 WAT1 ATOM 3533 OH2 TIP3 676 -18.437 20.828 18.649 1.00 0.00 WAT1 ATOM 3534 H1 TIP3 676 -18.221 21.765 18.778 1.00 0.00 WAT1 ATOM 3535 H2 TIP3 676 -19.153 20.840 17.982 1.00 0.00 WAT1 ATOM 3536 OH2 TIP3 677 -22.674 24.044 7.066 1.00 0.00 WAT1 ATOM 3537 H1 TIP3 677 -21.753 24.291 6.917 1.00 0.00 WAT1 ATOM 3538 H2 TIP3 677 -22.621 23.299 7.718 1.00 0.00 WAT1 ATOM 3539 OH2 TIP3 678 -17.658 28.485 16.403 1.00 0.00 WAT1 ATOM 3540 H1 TIP3 678 -17.599 29.342 16.833 1.00 0.00 WAT1 ATOM 3541 H2 TIP3 678 -17.850 28.701 15.462 1.00 0.00 WAT1 ATOM 3542 OH2 TIP3 679 -26.146 21.467 7.549 1.00 0.00 WAT1 ATOM 3543 H1 TIP3 679 -26.939 20.925 7.625 1.00 0.00 WAT1 ATOM 3544 H2 TIP3 679 -25.592 21.190 8.313 1.00 0.00 WAT1 ATOM 3545 OH2 TIP3 680 -18.870 23.751 18.583 1.00 0.00 WAT1 ATOM 3546 H1 TIP3 680 -18.599 24.526 18.037 1.00 0.00 WAT1 ATOM 3547 H2 TIP3 680 -19.785 23.592 18.327 1.00 0.00 WAT1 ATOM 3548 OH2 TIP3 681 -20.325 29.234 8.770 1.00 0.00 WAT1 ATOM 3549 H1 TIP3 681 -20.942 28.734 8.179 1.00 0.00 WAT1 ATOM 3550 H2 TIP3 681 -20.797 29.259 9.638 1.00 0.00 WAT1 ATOM 3551 OH2 TIP3 682 -17.577 31.830 9.544 1.00 0.00 WAT1 ATOM 3552 H1 TIP3 682 -18.076 32.433 8.956 1.00 0.00 WAT1 ATOM 3553 H2 TIP3 682 -17.568 30.970 9.063 1.00 0.00 WAT1 ATOM 3554 OH2 TIP3 683 -13.073 22.108 9.453 1.00 0.00 WAT1 ATOM 3555 H1 TIP3 683 -12.311 22.413 9.993 1.00 0.00 WAT1 ATOM 3556 H2 TIP3 683 -13.301 22.888 8.908 1.00 0.00 WAT1 ATOM 3557 OH2 TIP3 684 -15.235 33.160 8.801 1.00 0.00 WAT1 ATOM 3558 H1 TIP3 684 -14.482 32.866 9.364 1.00 0.00 WAT1 ATOM 3559 H2 TIP3 684 -16.012 32.706 9.188 1.00 0.00 WAT1 ATOM 3560 OH2 TIP3 685 -17.634 29.274 8.606 1.00 0.00 WAT1 ATOM 3561 H1 TIP3 685 -18.618 29.242 8.676 1.00 0.00 WAT1 ATOM 3562 H2 TIP3 685 -17.388 28.384 8.347 1.00 0.00 WAT1 ATOM 3563 OH2 TIP3 686 -21.656 31.198 5.493 1.00 0.00 WAT1 ATOM 3564 H1 TIP3 686 -21.800 30.645 4.704 1.00 0.00 WAT1 ATOM 3565 H2 TIP3 686 -22.550 31.534 5.717 1.00 0.00 WAT1 ATOM 3566 OH2 TIP3 687 -20.539 31.829 7.909 1.00 0.00 WAT1 ATOM 3567 H1 TIP3 687 -20.441 30.904 8.226 1.00 0.00 WAT1 ATOM 3568 H2 TIP3 687 -20.970 31.731 7.026 1.00 0.00 WAT1 ATOM 3569 OH2 TIP3 688 -22.707 35.423 8.575 1.00 0.00 WAT1 ATOM 3570 H1 TIP3 688 -23.074 36.176 9.051 1.00 0.00 WAT1 ATOM 3571 H2 TIP3 688 -21.841 35.744 8.248 1.00 0.00 WAT1 ATOM 3572 OH2 TIP3 689 -22.485 22.040 8.857 1.00 0.00 WAT1 ATOM 3573 H1 TIP3 689 -23.268 21.467 8.954 1.00 0.00 WAT1 ATOM 3574 H2 TIP3 689 -21.941 21.825 9.627 1.00 0.00 WAT1 ATOM 3575 OH2 TIP3 690 -16.278 23.813 19.540 1.00 0.00 WAT1 ATOM 3576 H1 TIP3 690 -17.250 23.778 19.406 1.00 0.00 WAT1 ATOM 3577 H2 TIP3 690 -16.170 24.279 20.374 1.00 0.00 WAT1 ATOM 3578 OH2 TIP3 691 -10.895 24.560 13.512 1.00 0.00 WAT1 ATOM 3579 H1 TIP3 691 -10.967 23.606 13.720 1.00 0.00 WAT1 ATOM 3580 H2 TIP3 691 -9.973 24.662 13.184 1.00 0.00 WAT1 ATOM 3581 OH2 TIP3 692 -23.608 32.869 9.014 1.00 0.00 WAT1 ATOM 3582 H1 TIP3 692 -22.978 32.596 9.703 1.00 0.00 WAT1 ATOM 3583 H2 TIP3 692 -23.347 33.788 8.802 1.00 0.00 WAT1 ATOM 3584 OH2 TIP3 693 -18.874 33.925 8.137 1.00 0.00 WAT1 ATOM 3585 H1 TIP3 693 -19.389 34.740 8.226 1.00 0.00 WAT1 ATOM 3586 H2 TIP3 693 -19.548 33.233 7.947 1.00 0.00 WAT1 ATOM 3587 OH2 TIP3 694 -24.427 29.190 6.573 1.00 0.00 WAT1 ATOM 3588 H1 TIP3 694 -23.600 28.818 6.938 1.00 0.00 WAT1 ATOM 3589 H2 TIP3 694 -24.384 28.973 5.614 1.00 0.00 WAT1 ATOM 3590 OH2 TIP3 695 -22.105 27.852 7.287 1.00 0.00 WAT1 ATOM 3591 H1 TIP3 695 -22.712 27.198 7.697 1.00 0.00 WAT1 ATOM 3592 H2 TIP3 695 -21.873 27.451 6.414 1.00 0.00 WAT1 ATOM 3593 OH2 TIP3 696 -21.567 26.753 4.862 1.00 0.00 WAT1 ATOM 3594 H1 TIP3 696 -20.884 27.083 4.242 1.00 0.00 WAT1 ATOM 3595 H2 TIP3 696 -22.288 26.446 4.282 1.00 0.00 WAT1 ATOM 3596 OH2 TIP3 697 -19.887 35.970 5.097 1.00 0.00 WAT1 ATOM 3597 H1 TIP3 697 -20.573 35.570 4.515 1.00 0.00 WAT1 ATOM 3598 H2 TIP3 697 -19.769 36.872 4.734 1.00 0.00 WAT1 ATOM 3599 OH2 TIP3 698 -8.350 24.292 12.606 1.00 0.00 WAT1 ATOM 3600 H1 TIP3 698 -7.911 25.079 12.207 1.00 0.00 WAT1 ATOM 3601 H2 TIP3 698 -7.983 23.536 12.105 1.00 0.00 WAT1 ATOM 3602 OH2 TIP3 699 -13.210 24.679 8.288 1.00 0.00 WAT1 ATOM 3603 H1 TIP3 699 -12.598 25.198 7.740 1.00 0.00 WAT1 ATOM 3604 H2 TIP3 699 -14.076 24.866 7.913 1.00 0.00 WAT1 ATOM 3605 OH2 TIP3 700 -13.670 24.709 13.618 1.00 0.00 WAT1 ATOM 3606 H1 TIP3 700 -13.774 24.622 14.583 1.00 0.00 WAT1 ATOM 3607 H2 TIP3 700 -12.710 24.825 13.495 1.00 0.00 WAT1 ATOM 3608 OH2 TIP3 701 -16.889 22.120 15.241 1.00 0.00 WAT1 ATOM 3609 H1 TIP3 701 -17.794 22.501 15.202 1.00 0.00 WAT1 ATOM 3610 H2 TIP3 701 -16.398 22.739 15.823 1.00 0.00 WAT1 ATOM 3611 OH2 TIP3 702 -15.728 24.099 16.874 1.00 0.00 WAT1 ATOM 3612 H1 TIP3 702 -15.796 23.932 17.842 1.00 0.00 WAT1 ATOM 3613 H2 TIP3 702 -14.764 24.210 16.717 1.00 0.00 WAT1 ATOM 3614 OH2 TIP3 703 -12.134 19.565 9.939 1.00 0.00 WAT1 ATOM 3615 H1 TIP3 703 -12.489 18.871 9.369 1.00 0.00 WAT1 ATOM 3616 H2 TIP3 703 -12.558 20.388 9.609 1.00 0.00 WAT1 ATOM 3617 OH2 TIP3 704 -14.177 36.276 12.868 1.00 0.00 WAT1 ATOM 3618 H1 TIP3 704 -13.545 36.109 13.594 1.00 0.00 WAT1 ATOM 3619 H2 TIP3 704 -14.605 35.398 12.715 1.00 0.00 WAT1 ATOM 3620 OH2 TIP3 705 -10.524 17.141 20.158 1.00 0.00 WAT1 ATOM 3621 H1 TIP3 705 -10.607 16.521 19.420 1.00 0.00 WAT1 ATOM 3622 H2 TIP3 705 -11.325 16.967 20.710 1.00 0.00 WAT1 ATOM 3623 OH2 TIP3 706 -20.425 21.481 16.790 1.00 0.00 WAT1 ATOM 3624 H1 TIP3 706 -21.310 21.891 16.858 1.00 0.00 WAT1 ATOM 3625 H2 TIP3 706 -19.923 22.095 16.214 1.00 0.00 WAT1 ATOM 3626 OH2 TIP3 707 -21.649 22.484 13.974 1.00 0.00 WAT1 ATOM 3627 H1 TIP3 707 -21.371 21.595 13.616 1.00 0.00 WAT1 ATOM 3628 H2 TIP3 707 -22.305 22.805 13.320 1.00 0.00 WAT1 ATOM 3629 OH2 TIP3 708 -18.153 20.094 12.920 1.00 0.00 WAT1 ATOM 3630 H1 TIP3 708 -18.041 20.195 13.868 1.00 0.00 WAT1 ATOM 3631 H2 TIP3 708 -19.129 20.098 12.793 1.00 0.00 WAT1 ATOM 3632 OH2 TIP3 709 -23.756 23.619 4.587 1.00 0.00 WAT1 ATOM 3633 H1 TIP3 709 -24.145 22.734 4.720 1.00 0.00 WAT1 ATOM 3634 H2 TIP3 709 -23.423 23.866 5.476 1.00 0.00 WAT1 ATOM 3635 OH2 TIP3 710 -21.827 35.541 3.200 1.00 0.00 WAT1 ATOM 3636 H1 TIP3 710 -22.157 36.464 3.193 1.00 0.00 WAT1 ATOM 3637 H2 TIP3 710 -22.616 35.005 2.959 1.00 0.00 WAT1 ATOM 3638 OH2 TIP3 711 -13.219 32.152 10.326 1.00 0.00 WAT1 ATOM 3639 H1 TIP3 711 -12.470 32.501 10.822 1.00 0.00 WAT1 ATOM 3640 H2 TIP3 711 -12.815 31.524 9.690 1.00 0.00 WAT1 ATOM 3641 OH2 TIP3 712 -24.200 36.109 6.322 1.00 0.00 WAT1 ATOM 3642 H1 TIP3 712 -23.696 35.630 7.001 1.00 0.00 WAT1 ATOM 3643 H2 TIP3 712 -24.782 35.425 5.933 1.00 0.00 WAT1 ATOM 3644 OH2 TIP3 713 -29.280 46.369 -35.606 1.00 0.00 WAT1 ATOM 3645 H1 TIP3 713 -29.834 46.483 -36.398 1.00 0.00 WAT1 ATOM 3646 H2 TIP3 713 -29.657 45.570 -35.165 1.00 0.00 WAT1 ATOM 3647 OH2 TIP3 714 -31.170 40.415 -40.367 1.00 0.00 WAT1 ATOM 3648 H1 TIP3 714 -31.519 39.880 -39.626 1.00 0.00 WAT1 ATOM 3649 H2 TIP3 714 -31.419 41.341 -40.134 1.00 0.00 WAT1 ATOM 3650 OH2 TIP3 715 -31.396 45.476 -37.199 1.00 0.00 WAT1 ATOM 3651 H1 TIP3 715 -31.432 44.501 -37.114 1.00 0.00 WAT1 ATOM 3652 H2 TIP3 715 -31.687 45.798 -36.328 1.00 0.00 WAT1 ATOM 3653 OH2 TIP3 716 -26.312 41.906 -38.287 1.00 0.00 WAT1 ATOM 3654 H1 TIP3 716 -27.168 42.037 -37.837 1.00 0.00 WAT1 ATOM 3655 H2 TIP3 716 -25.660 42.331 -37.685 1.00 0.00 WAT1 ATOM 3656 OH2 TIP3 717 -30.968 40.200 -35.870 1.00 0.00 WAT1 ATOM 3657 H1 TIP3 717 -31.265 41.131 -35.998 1.00 0.00 WAT1 ATOM 3658 H2 TIP3 717 -30.259 40.079 -36.538 1.00 0.00 WAT1 ATOM 3659 OH2 TIP3 718 -28.471 48.265 -33.815 1.00 0.00 WAT1 ATOM 3660 H1 TIP3 718 -28.653 47.562 -34.476 1.00 0.00 WAT1 ATOM 3661 H2 TIP3 718 -28.382 49.085 -34.356 1.00 0.00 WAT1 ATOM 3662 OH2 TIP3 719 -26.839 38.738 -36.536 1.00 0.00 WAT1 ATOM 3663 H1 TIP3 719 -26.720 39.494 -35.920 1.00 0.00 WAT1 ATOM 3664 H2 TIP3 719 -26.092 38.820 -37.163 1.00 0.00 WAT1 ATOM 3665 OH2 TIP3 720 -30.446 52.451 -34.630 1.00 0.00 WAT1 ATOM 3666 H1 TIP3 720 -30.570 53.389 -34.450 1.00 0.00 WAT1 ATOM 3667 H2 TIP3 720 -31.000 52.284 -35.426 1.00 0.00 WAT1 ATOM 3668 OH2 TIP3 721 -26.400 45.145 -33.410 1.00 0.00 WAT1 ATOM 3669 H1 TIP3 721 -26.580 45.209 -34.368 1.00 0.00 WAT1 ATOM 3670 H2 TIP3 721 -27.071 44.498 -33.085 1.00 0.00 WAT1 ATOM 3671 OH2 TIP3 722 -28.789 50.377 -35.482 1.00 0.00 WAT1 ATOM 3672 H1 TIP3 722 -29.251 50.190 -36.324 1.00 0.00 WAT1 ATOM 3673 H2 TIP3 722 -29.229 51.179 -35.142 1.00 0.00 WAT1 ATOM 3674 OH2 TIP3 723 -30.876 52.352 -26.883 1.00 0.00 WAT1 ATOM 3675 H1 TIP3 723 -31.542 53.068 -27.014 1.00 0.00 WAT1 ATOM 3676 H2 TIP3 723 -30.592 52.122 -27.794 1.00 0.00 WAT1 ATOM 3677 OH2 TIP3 724 -27.887 50.050 -39.559 1.00 0.00 WAT1 ATOM 3678 H1 TIP3 724 -27.520 50.682 -40.185 1.00 0.00 WAT1 ATOM 3679 H2 TIP3 724 -27.152 49.465 -39.352 1.00 0.00 WAT1 ATOM 3680 OH2 TIP3 725 -31.210 48.586 -33.765 1.00 0.00 WAT1 ATOM 3681 H1 TIP3 725 -30.233 48.527 -33.741 1.00 0.00 WAT1 ATOM 3682 H2 TIP3 725 -31.493 47.697 -34.050 1.00 0.00 WAT1 ATOM 3683 OH2 TIP3 726 -27.951 36.311 -37.053 1.00 0.00 WAT1 ATOM 3684 H1 TIP3 726 -27.593 37.107 -36.608 1.00 0.00 WAT1 ATOM 3685 H2 TIP3 726 -27.620 36.391 -37.975 1.00 0.00 WAT1 ATOM 3686 OH2 TIP3 727 -28.665 42.552 -36.740 1.00 0.00 WAT1 ATOM 3687 H1 TIP3 727 -29.255 42.134 -37.387 1.00 0.00 WAT1 ATOM 3688 H2 TIP3 727 -29.284 43.023 -36.120 1.00 0.00 WAT1 ATOM 3689 OH2 TIP3 728 -26.897 41.357 -40.886 1.00 0.00 WAT1 ATOM 3690 H1 TIP3 728 -26.652 41.688 -39.997 1.00 0.00 WAT1 ATOM 3691 H2 TIP3 728 -26.623 42.056 -41.484 1.00 0.00 WAT1 ATOM 3692 OH2 TIP3 729 -29.102 39.583 -37.792 1.00 0.00 WAT1 ATOM 3693 H1 TIP3 729 -28.330 39.195 -37.320 1.00 0.00 WAT1 ATOM 3694 H2 TIP3 729 -28.875 39.481 -38.745 1.00 0.00 WAT1 ATOM 3695 OH2 TIP3 730 -27.033 37.304 -39.447 1.00 0.00 WAT1 ATOM 3696 H1 TIP3 730 -27.661 37.843 -39.970 1.00 0.00 WAT1 ATOM 3697 H2 TIP3 730 -26.314 37.924 -39.228 1.00 0.00 WAT1 ATOM 3698 OH2 TIP3 731 -25.242 39.354 -38.745 1.00 0.00 WAT1 ATOM 3699 H1 TIP3 731 -24.450 39.426 -39.290 1.00 0.00 WAT1 ATOM 3700 H2 TIP3 731 -25.586 40.271 -38.696 1.00 0.00 WAT1 ATOM 3701 OH2 TIP3 732 -27.121 44.832 -36.088 1.00 0.00 WAT1 ATOM 3702 H1 TIP3 732 -27.677 44.086 -36.386 1.00 0.00 WAT1 ATOM 3703 H2 TIP3 732 -27.751 45.583 -36.015 1.00 0.00 WAT1 ATOM 3704 OH2 TIP3 733 -26.873 47.382 -31.777 1.00 0.00 WAT1 ATOM 3705 H1 TIP3 733 -26.578 46.560 -32.214 1.00 0.00 WAT1 ATOM 3706 H2 TIP3 733 -27.501 47.778 -32.422 1.00 0.00 WAT1 ATOM 3707 OH2 TIP3 734 -30.109 50.074 -37.946 1.00 0.00 WAT1 ATOM 3708 H1 TIP3 734 -29.317 50.069 -38.529 1.00 0.00 WAT1 ATOM 3709 H2 TIP3 734 -30.815 49.662 -38.501 1.00 0.00 WAT1 ATOM 3710 OH2 TIP3 735 -29.957 34.538 -37.704 1.00 0.00 WAT1 ATOM 3711 H1 TIP3 735 -30.067 34.803 -38.622 1.00 0.00 WAT1 ATOM 3712 H2 TIP3 735 -29.242 35.122 -37.369 1.00 0.00 WAT1 ATOM 3713 OH2 TIP3 736 -32.865 54.238 -27.140 1.00 0.00 WAT1 ATOM 3714 H1 TIP3 736 -33.302 54.871 -27.752 1.00 0.00 WAT1 ATOM 3715 H2 TIP3 736 -33.611 53.777 -26.704 1.00 0.00 WAT1 ATOM 3716 OH2 TIP3 737 -26.396 49.344 -29.970 1.00 0.00 WAT1 ATOM 3717 H1 TIP3 737 -25.676 49.841 -30.371 1.00 0.00 WAT1 ATOM 3718 H2 TIP3 737 -26.591 48.633 -30.626 1.00 0.00 WAT1 ATOM 3719 OH2 TIP3 738 -23.941 44.068 -33.896 1.00 0.00 WAT1 ATOM 3720 H1 TIP3 738 -23.257 44.611 -33.497 1.00 0.00 WAT1 ATOM 3721 H2 TIP3 738 -24.781 44.472 -33.587 1.00 0.00 WAT1 ATOM 3722 OH2 TIP3 739 -25.050 43.086 -36.167 1.00 0.00 WAT1 ATOM 3723 H1 TIP3 739 -25.647 43.866 -36.197 1.00 0.00 WAT1 ATOM 3724 H2 TIP3 739 -24.416 43.301 -35.444 1.00 0.00 WAT1 ATOM 3725 OH2 TIP3 740 -27.219 40.380 -32.652 1.00 0.00 WAT1 ATOM 3726 H1 TIP3 740 -26.693 41.066 -32.227 1.00 0.00 WAT1 ATOM 3727 H2 TIP3 740 -27.146 40.584 -33.612 1.00 0.00 WAT1 ATOM 3728 OH2 TIP3 741 -30.739 39.218 -33.297 1.00 0.00 WAT1 ATOM 3729 H1 TIP3 741 -31.684 39.100 -33.079 1.00 0.00 WAT1 ATOM 3730 H2 TIP3 741 -30.748 39.531 -34.230 1.00 0.00 WAT1 ATOM 3731 OH2 TIP3 742 -29.909 36.214 -43.731 1.00 0.00 WAT1 ATOM 3732 H1 TIP3 742 -30.613 36.462 -43.081 1.00 0.00 WAT1 ATOM 3733 H2 TIP3 742 -30.241 35.409 -44.139 1.00 0.00 WAT1 ATOM 3734 OH2 TIP3 743 -28.083 50.078 -27.965 1.00 0.00 WAT1 ATOM 3735 H1 TIP3 743 -28.864 50.492 -28.386 1.00 0.00 WAT1 ATOM 3736 H2 TIP3 743 -27.460 49.925 -28.716 1.00 0.00 WAT1 ATOM 3737 OH2 TIP3 744 -28.257 38.832 -46.104 1.00 0.00 WAT1 ATOM 3738 H1 TIP3 744 -27.838 38.709 -46.957 1.00 0.00 WAT1 ATOM 3739 H2 TIP3 744 -27.816 38.174 -45.522 1.00 0.00 WAT1 ATOM 3740 OH2 TIP3 745 -29.647 40.934 -31.318 1.00 0.00 WAT1 ATOM 3741 H1 TIP3 745 -30.244 40.376 -31.850 1.00 0.00 WAT1 ATOM 3742 H2 TIP3 745 -28.758 40.709 -31.651 1.00 0.00 WAT1 ATOM 3743 OH2 TIP3 746 -29.897 36.572 -31.018 1.00 0.00 WAT1 ATOM 3744 H1 TIP3 746 -29.225 36.932 -31.630 1.00 0.00 WAT1 ATOM 3745 H2 TIP3 746 -29.713 35.613 -30.996 1.00 0.00 WAT1 ATOM 3746 OH2 TIP3 747 -19.901 43.062 -20.172 1.00 0.00 WAT1 ATOM 3747 H1 TIP3 747 -19.019 42.896 -19.828 1.00 0.00 WAT1 ATOM 3748 H2 TIP3 747 -20.195 43.850 -19.706 1.00 0.00 WAT1 ATOM 3749 OH2 TIP3 748 -24.882 49.114 -18.518 1.00 0.00 WAT1 ATOM 3750 H1 TIP3 748 -24.121 49.286 -19.105 1.00 0.00 WAT1 ATOM 3751 H2 TIP3 748 -25.650 49.464 -19.018 1.00 0.00 WAT1 ATOM 3752 OH2 TIP3 749 -19.382 41.644 -13.617 1.00 0.00 WAT1 ATOM 3753 H1 TIP3 749 -20.085 42.251 -13.873 1.00 0.00 WAT1 ATOM 3754 H2 TIP3 749 -18.598 42.228 -13.481 1.00 0.00 WAT1 ATOM 3755 OH2 TIP3 750 -27.630 41.618 -18.917 1.00 0.00 WAT1 ATOM 3756 H1 TIP3 750 -27.379 41.548 -19.864 1.00 0.00 WAT1 ATOM 3757 H2 TIP3 750 -28.143 42.447 -18.865 1.00 0.00 WAT1 ATOM 3758 OH2 TIP3 751 -25.475 44.037 -18.999 1.00 0.00 WAT1 ATOM 3759 H1 TIP3 751 -24.954 44.846 -18.818 1.00 0.00 WAT1 ATOM 3760 H2 TIP3 751 -25.777 44.150 -19.924 1.00 0.00 WAT1 ATOM 3761 OH2 TIP3 752 -19.640 39.549 -15.554 1.00 0.00 WAT1 ATOM 3762 H1 TIP3 752 -18.713 39.331 -15.801 1.00 0.00 WAT1 ATOM 3763 H2 TIP3 752 -19.547 40.275 -14.906 1.00 0.00 WAT1 ATOM 3764 OH2 TIP3 753 -26.765 50.123 -20.368 1.00 0.00 WAT1 ATOM 3765 H1 TIP3 753 -26.088 49.891 -21.028 1.00 0.00 WAT1 ATOM 3766 H2 TIP3 753 -27.509 50.457 -20.907 1.00 0.00 WAT1 ATOM 3767 OH2 TIP3 754 -18.662 48.736 -18.302 1.00 0.00 WAT1 ATOM 3768 H1 TIP3 754 -18.055 48.515 -19.015 1.00 0.00 WAT1 ATOM 3769 H2 TIP3 754 -18.118 48.631 -17.483 1.00 0.00 WAT1 ATOM 3770 OH2 TIP3 755 -26.362 43.706 -24.165 1.00 0.00 WAT1 ATOM 3771 H1 TIP3 755 -25.935 42.864 -24.386 1.00 0.00 WAT1 ATOM 3772 H2 TIP3 755 -26.194 44.276 -24.952 1.00 0.00 WAT1 ATOM 3773 OH2 TIP3 756 -27.168 55.957 -20.639 1.00 0.00 WAT1 ATOM 3774 H1 TIP3 756 -27.621 55.116 -20.859 1.00 0.00 WAT1 ATOM 3775 H2 TIP3 756 -27.789 56.413 -20.064 1.00 0.00 WAT1 ATOM 3776 OH2 TIP3 757 -16.014 44.242 -9.504 1.00 0.00 WAT1 ATOM 3777 H1 TIP3 757 -15.986 44.673 -8.620 1.00 0.00 WAT1 ATOM 3778 H2 TIP3 757 -15.173 44.514 -9.925 1.00 0.00 WAT1 ATOM 3779 OH2 TIP3 758 -22.131 38.074 -17.049 1.00 0.00 WAT1 ATOM 3780 H1 TIP3 758 -21.471 38.402 -16.416 1.00 0.00 WAT1 ATOM 3781 H2 TIP3 758 -22.100 37.102 -16.945 1.00 0.00 WAT1 ATOM 3782 OH2 TIP3 759 -19.192 39.764 -11.516 1.00 0.00 WAT1 ATOM 3783 H1 TIP3 759 -19.343 40.332 -10.747 1.00 0.00 WAT1 ATOM 3784 H2 TIP3 759 -19.161 40.390 -12.275 1.00 0.00 WAT1 ATOM 3785 OH2 TIP3 760 -23.628 40.300 -22.782 1.00 0.00 WAT1 ATOM 3786 H1 TIP3 760 -22.729 40.657 -22.632 1.00 0.00 WAT1 ATOM 3787 H2 TIP3 760 -23.920 40.020 -21.894 1.00 0.00 WAT1 ATOM 3788 OH2 TIP3 761 -25.199 40.472 -12.254 1.00 0.00 WAT1 ATOM 3789 H1 TIP3 761 -26.099 40.138 -12.479 1.00 0.00 WAT1 ATOM 3790 H2 TIP3 761 -24.603 39.875 -12.726 1.00 0.00 WAT1 ATOM 3791 OH2 TIP3 762 -31.111 42.722 -26.254 1.00 0.00 WAT1 ATOM 3792 H1 TIP3 762 -32.079 42.551 -26.230 1.00 0.00 WAT1 ATOM 3793 H2 TIP3 762 -30.807 42.264 -27.071 1.00 0.00 WAT1 ATOM 3794 OH2 TIP3 763 -17.289 43.384 -13.162 1.00 0.00 WAT1 ATOM 3795 H1 TIP3 763 -16.902 44.174 -13.562 1.00 0.00 WAT1 ATOM 3796 H2 TIP3 763 -16.733 43.213 -12.391 1.00 0.00 WAT1 ATOM 3797 OH2 TIP3 764 -21.285 41.039 -21.441 1.00 0.00 WAT1 ATOM 3798 H1 TIP3 764 -21.149 40.389 -20.725 1.00 0.00 WAT1 ATOM 3799 H2 TIP3 764 -20.828 41.843 -21.122 1.00 0.00 WAT1 ATOM 3800 OH2 TIP3 765 -33.824 42.141 -26.261 1.00 0.00 WAT1 ATOM 3801 H1 TIP3 765 -34.690 42.587 -26.268 1.00 0.00 WAT1 ATOM 3802 H2 TIP3 765 -34.007 41.262 -26.613 1.00 0.00 WAT1 ATOM 3803 OH2 TIP3 766 -26.452 44.531 -21.570 1.00 0.00 WAT1 ATOM 3804 H1 TIP3 766 -26.317 44.369 -22.532 1.00 0.00 WAT1 ATOM 3805 H2 TIP3 766 -26.788 45.436 -21.525 1.00 0.00 WAT1 ATOM 3806 OH2 TIP3 767 -22.093 47.212 -20.220 1.00 0.00 WAT1 ATOM 3807 H1 TIP3 767 -21.751 46.790 -21.016 1.00 0.00 WAT1 ATOM 3808 H2 TIP3 767 -22.541 48.028 -20.553 1.00 0.00 WAT1 ATOM 3809 OH2 TIP3 768 -26.615 41.595 -21.444 1.00 0.00 WAT1 ATOM 3810 H1 TIP3 768 -26.374 42.526 -21.595 1.00 0.00 WAT1 ATOM 3811 H2 TIP3 768 -26.518 41.175 -22.324 1.00 0.00 WAT1 ATOM 3812 OH2 TIP3 769 -21.926 47.533 -14.342 1.00 0.00 WAT1 ATOM 3813 H1 TIP3 769 -20.995 47.471 -14.102 1.00 0.00 WAT1 ATOM 3814 H2 TIP3 769 -22.007 48.420 -14.761 1.00 0.00 WAT1 ATOM 3815 OH2 TIP3 770 -23.868 45.995 -15.660 1.00 0.00 WAT1 ATOM 3816 H1 TIP3 770 -23.845 46.130 -16.626 1.00 0.00 WAT1 ATOM 3817 H2 TIP3 770 -23.080 46.474 -15.332 1.00 0.00 WAT1 ATOM 3818 OH2 TIP3 771 -22.160 49.943 -15.617 1.00 0.00 WAT1 ATOM 3819 H1 TIP3 771 -21.906 49.496 -16.460 1.00 0.00 WAT1 ATOM 3820 H2 TIP3 771 -21.709 50.813 -15.664 1.00 0.00 WAT1 ATOM 3821 OH2 TIP3 772 -21.379 48.464 -17.817 1.00 0.00 WAT1 ATOM 3822 H1 TIP3 772 -20.407 48.543 -17.892 1.00 0.00 WAT1 ATOM 3823 H2 TIP3 772 -21.639 47.977 -18.620 1.00 0.00 WAT1 ATOM 3824 OH2 TIP3 773 -28.869 46.550 -25.369 1.00 0.00 WAT1 ATOM 3825 H1 TIP3 773 -28.503 46.794 -26.245 1.00 0.00 WAT1 ATOM 3826 H2 TIP3 773 -29.026 47.411 -24.929 1.00 0.00 WAT1 ATOM 3827 OH2 TIP3 774 -25.340 50.056 -22.844 1.00 0.00 WAT1 ATOM 3828 H1 TIP3 774 -25.256 49.545 -23.660 1.00 0.00 WAT1 ATOM 3829 H2 TIP3 774 -25.991 50.743 -23.064 1.00 0.00 WAT1 ATOM 3830 OH2 TIP3 775 -23.389 49.489 -20.860 1.00 0.00 WAT1 ATOM 3831 H1 TIP3 775 -22.927 50.312 -20.570 1.00 0.00 WAT1 ATOM 3832 H2 TIP3 775 -23.965 49.783 -21.594 1.00 0.00 WAT1 ATOM 3833 OH2 TIP3 776 -16.908 48.410 -16.231 1.00 0.00 WAT1 ATOM 3834 H1 TIP3 776 -16.550 47.663 -15.702 1.00 0.00 WAT1 ATOM 3835 H2 TIP3 776 -16.451 49.184 -15.885 1.00 0.00 WAT1 ATOM 3836 OH2 TIP3 777 -26.170 45.180 -26.461 1.00 0.00 WAT1 ATOM 3837 H1 TIP3 777 -25.737 44.897 -27.274 1.00 0.00 WAT1 ATOM 3838 H2 TIP3 777 -26.627 46.010 -26.711 1.00 0.00 WAT1 ATOM 3839 OH2 TIP3 778 -19.815 37.136 -14.271 1.00 0.00 WAT1 ATOM 3840 H1 TIP3 778 -19.225 36.587 -14.826 1.00 0.00 WAT1 ATOM 3841 H2 TIP3 778 -19.829 38.005 -14.724 1.00 0.00 WAT1 ATOM 3842 OH2 TIP3 779 -24.057 46.404 -18.470 1.00 0.00 WAT1 ATOM 3843 H1 TIP3 779 -24.448 47.299 -18.407 1.00 0.00 WAT1 ATOM 3844 H2 TIP3 779 -23.314 46.514 -19.100 1.00 0.00 WAT1 ATOM 3845 OH2 TIP3 780 -19.289 37.743 -21.189 1.00 0.00 WAT1 ATOM 3846 H1 TIP3 780 -18.657 38.396 -21.511 1.00 0.00 WAT1 ATOM 3847 H2 TIP3 780 -19.939 38.272 -20.672 1.00 0.00 WAT1 ATOM 3848 OH2 TIP3 781 -17.059 38.586 -15.779 1.00 0.00 WAT1 ATOM 3849 H1 TIP3 781 -17.259 37.631 -15.688 1.00 0.00 WAT1 ATOM 3850 H2 TIP3 781 -16.151 38.676 -15.424 1.00 0.00 WAT1 ATOM 3851 OH2 TIP3 782 -27.378 50.773 -25.385 1.00 0.00 WAT1 ATOM 3852 H1 TIP3 782 -27.903 51.579 -25.230 1.00 0.00 WAT1 ATOM 3853 H2 TIP3 782 -27.489 50.595 -26.345 1.00 0.00 WAT1 ATOM 3854 OH2 TIP3 783 -28.393 43.368 -32.912 1.00 0.00 WAT1 ATOM 3855 H1 TIP3 783 -29.033 43.580 -33.632 1.00 0.00 WAT1 ATOM 3856 H2 TIP3 783 -28.925 42.904 -32.251 1.00 0.00 WAT1 ATOM 3857 OH2 TIP3 784 -29.146 55.378 -12.805 1.00 0.00 WAT1 ATOM 3858 H1 TIP3 784 -28.200 55.558 -12.983 1.00 0.00 WAT1 ATOM 3859 H2 TIP3 784 -29.296 55.743 -11.929 1.00 0.00 WAT1 ATOM 3860 OH2 TIP3 785 -29.672 51.910 -12.649 1.00 0.00 WAT1 ATOM 3861 H1 TIP3 785 -30.009 52.675 -13.160 1.00 0.00 WAT1 ATOM 3862 H2 TIP3 785 -30.454 51.601 -12.141 1.00 0.00 WAT1 ATOM 3863 OH2 TIP3 786 -20.360 51.166 -11.960 1.00 0.00 WAT1 ATOM 3864 H1 TIP3 786 -19.964 51.249 -11.070 1.00 0.00 WAT1 ATOM 3865 H2 TIP3 786 -20.793 50.299 -11.942 1.00 0.00 WAT1 ATOM 3866 OH2 TIP3 787 -28.083 48.413 -12.456 1.00 0.00 WAT1 ATOM 3867 H1 TIP3 787 -27.496 47.762 -12.010 1.00 0.00 WAT1 ATOM 3868 H2 TIP3 787 -28.978 48.022 -12.373 1.00 0.00 WAT1 ATOM 3869 OH2 TIP3 788 -27.498 47.347 -27.696 1.00 0.00 WAT1 ATOM 3870 H1 TIP3 788 -27.670 48.306 -27.584 1.00 0.00 WAT1 ATOM 3871 H2 TIP3 788 -27.368 47.243 -28.651 1.00 0.00 WAT1 ATOM 3872 OH2 TIP3 789 -24.307 47.133 -13.025 1.00 0.00 WAT1 ATOM 3873 H1 TIP3 789 -23.415 47.351 -13.372 1.00 0.00 WAT1 ATOM 3874 H2 TIP3 789 -24.681 46.542 -13.701 1.00 0.00 WAT1 ATOM 3875 OH2 TIP3 790 -21.736 40.983 -8.250 1.00 0.00 WAT1 ATOM 3876 H1 TIP3 790 -22.626 41.045 -8.644 1.00 0.00 WAT1 ATOM 3877 H2 TIP3 790 -21.864 41.243 -7.316 1.00 0.00 WAT1 ATOM 3878 OH2 TIP3 791 -24.221 39.747 -17.727 1.00 0.00 WAT1 ATOM 3879 H1 TIP3 791 -24.352 39.579 -18.685 1.00 0.00 WAT1 ATOM 3880 H2 TIP3 791 -23.531 39.100 -17.461 1.00 0.00 WAT1 ATOM 3881 OH2 TIP3 792 -17.757 42.137 -9.197 1.00 0.00 WAT1 ATOM 3882 H1 TIP3 792 -18.524 42.740 -9.254 1.00 0.00 WAT1 ATOM 3883 H2 TIP3 792 -16.987 42.717 -9.397 1.00 0.00 WAT1 ATOM 3884 OH2 TIP3 793 -15.540 46.435 -14.841 1.00 0.00 WAT1 ATOM 3885 H1 TIP3 793 -15.102 46.248 -13.979 1.00 0.00 WAT1 ATOM 3886 H2 TIP3 793 -14.906 46.131 -15.496 1.00 0.00 WAT1 ATOM 3887 OH2 TIP3 794 -21.578 38.518 -12.265 1.00 0.00 WAT1 ATOM 3888 H1 TIP3 794 -20.757 38.962 -11.984 1.00 0.00 WAT1 ATOM 3889 H2 TIP3 794 -21.283 37.878 -12.935 1.00 0.00 WAT1 ATOM 3890 OH2 TIP3 795 -22.672 38.357 -9.721 1.00 0.00 WAT1 ATOM 3891 H1 TIP3 795 -22.369 38.325 -10.654 1.00 0.00 WAT1 ATOM 3892 H2 TIP3 795 -23.183 39.187 -9.665 1.00 0.00 WAT1 ATOM 3893 OH2 TIP3 796 -29.149 49.097 -24.185 1.00 0.00 WAT1 ATOM 3894 H1 TIP3 796 -28.484 49.606 -24.701 1.00 0.00 WAT1 ATOM 3895 H2 TIP3 796 -29.062 49.447 -23.286 1.00 0.00 WAT1 ATOM 3896 OH2 TIP3 797 -31.226 54.726 -21.871 1.00 0.00 WAT1 ATOM 3897 H1 TIP3 797 -31.720 54.518 -22.689 1.00 0.00 WAT1 ATOM 3898 H2 TIP3 797 -31.775 55.404 -21.428 1.00 0.00 WAT1 ATOM 3899 OH2 TIP3 798 -28.864 53.727 -20.895 1.00 0.00 WAT1 ATOM 3900 H1 TIP3 798 -29.735 54.083 -21.192 1.00 0.00 WAT1 ATOM 3901 H2 TIP3 798 -29.067 53.256 -20.063 1.00 0.00 WAT1 ATOM 3902 OH2 TIP3 799 -15.805 45.764 -7.188 1.00 0.00 WAT1 ATOM 3903 H1 TIP3 799 -14.979 46.271 -7.330 1.00 0.00 WAT1 ATOM 3904 H2 TIP3 799 -16.144 46.101 -6.342 1.00 0.00 WAT1 ATOM 3905 OH2 TIP3 800 -13.474 45.323 -10.086 1.00 0.00 WAT1 ATOM 3906 H1 TIP3 800 -12.549 44.989 -10.208 1.00 0.00 WAT1 ATOM 3907 H2 TIP3 800 -13.436 45.822 -9.257 1.00 0.00 WAT1 ATOM 3908 OH2 TIP3 801 -16.967 39.501 -8.520 1.00 0.00 WAT1 ATOM 3909 H1 TIP3 801 -17.213 40.421 -8.753 1.00 0.00 WAT1 ATOM 3910 H2 TIP3 801 -17.217 38.987 -9.298 1.00 0.00 WAT1 ATOM 3911 OH2 TIP3 802 -22.067 53.633 -10.535 1.00 0.00 WAT1 ATOM 3912 H1 TIP3 802 -21.639 53.563 -11.407 1.00 0.00 WAT1 ATOM 3913 H2 TIP3 802 -23.009 53.816 -10.746 1.00 0.00 WAT1 ATOM 3914 OH2 TIP3 803 -21.379 53.212 -13.360 1.00 0.00 WAT1 ATOM 3915 H1 TIP3 803 -21.169 53.136 -14.316 1.00 0.00 WAT1 ATOM 3916 H2 TIP3 803 -20.827 52.512 -12.938 1.00 0.00 WAT1 ATOM 3917 OH2 TIP3 804 -16.874 35.037 -11.063 1.00 0.00 WAT1 ATOM 3918 H1 TIP3 804 -16.033 35.268 -11.524 1.00 0.00 WAT1 ATOM 3919 H2 TIP3 804 -17.446 35.825 -11.204 1.00 0.00 WAT1 ATOM 3920 OH2 TIP3 805 -27.025 53.595 -15.128 1.00 0.00 WAT1 ATOM 3921 H1 TIP3 805 -27.842 53.600 -15.670 1.00 0.00 WAT1 ATOM 3922 H2 TIP3 805 -27.109 54.380 -14.560 1.00 0.00 WAT1 ATOM 3923 OH2 TIP3 806 -23.928 49.166 -11.112 1.00 0.00 WAT1 ATOM 3924 H1 TIP3 806 -24.094 48.489 -11.794 1.00 0.00 WAT1 ATOM 3925 H2 TIP3 806 -22.959 49.127 -10.967 1.00 0.00 WAT1 ATOM 3926 OH2 TIP3 807 -22.148 51.678 -19.859 1.00 0.00 WAT1 ATOM 3927 H1 TIP3 807 -22.557 52.141 -19.087 1.00 0.00 WAT1 ATOM 3928 H2 TIP3 807 -21.778 52.392 -20.391 1.00 0.00 WAT1 ATOM 3929 OH2 TIP3 808 -19.905 51.230 -18.165 1.00 0.00 WAT1 ATOM 3930 H1 TIP3 808 -20.640 51.172 -18.800 1.00 0.00 WAT1 ATOM 3931 H2 TIP3 808 -19.418 50.393 -18.284 1.00 0.00 WAT1 ATOM 3932 OH2 TIP3 809 -28.701 51.822 -18.806 1.00 0.00 WAT1 ATOM 3933 H1 TIP3 809 -27.869 51.431 -19.122 1.00 0.00 WAT1 ATOM 3934 H2 TIP3 809 -29.229 51.049 -18.506 1.00 0.00 WAT1 ATOM 3935 OH2 TIP3 810 -24.391 53.163 -15.413 1.00 0.00 WAT1 ATOM 3936 H1 TIP3 810 -24.219 52.622 -14.615 1.00 0.00 WAT1 ATOM 3937 H2 TIP3 810 -25.373 53.276 -15.418 1.00 0.00 WAT1 ATOM 3938 OH2 TIP3 811 -23.802 51.997 -13.018 1.00 0.00 WAT1 ATOM 3939 H1 TIP3 811 -22.877 52.323 -13.067 1.00 0.00 WAT1 ATOM 3940 H2 TIP3 811 -24.207 52.537 -12.304 1.00 0.00 WAT1 ATOM 3941 OH2 TIP3 812 -21.067 39.023 -19.548 1.00 0.00 WAT1 ATOM 3942 H1 TIP3 812 -20.813 38.715 -18.659 1.00 0.00 WAT1 ATOM 3943 H2 TIP3 812 -21.970 38.693 -19.659 1.00 0.00 WAT1 ATOM 3944 OH2 TIP3 813 -26.165 40.249 -23.860 1.00 0.00 WAT1 ATOM 3945 H1 TIP3 813 -25.202 40.179 -23.658 1.00 0.00 WAT1 ATOM 3946 H2 TIP3 813 -26.522 39.349 -23.648 1.00 0.00 WAT1 ATOM 3947 OH2 TIP3 814 -31.599 37.429 -26.830 1.00 0.00 WAT1 ATOM 3948 H1 TIP3 814 -31.845 38.267 -27.276 1.00 0.00 WAT1 ATOM 3949 H2 TIP3 814 -30.640 37.486 -26.731 1.00 0.00 WAT1 ATOM 3950 OH2 TIP3 815 -24.855 39.565 -20.437 1.00 0.00 WAT1 ATOM 3951 H1 TIP3 815 -25.270 38.716 -20.701 1.00 0.00 WAT1 ATOM 3952 H2 TIP3 815 -25.539 40.238 -20.633 1.00 0.00 WAT1 ATOM 3953 OH2 TIP3 816 -19.645 36.296 -18.751 1.00 0.00 WAT1 ATOM 3954 H1 TIP3 816 -19.406 36.615 -19.639 1.00 0.00 WAT1 ATOM 3955 H2 TIP3 816 -19.119 35.479 -18.637 1.00 0.00 WAT1 ATOM 3956 OH2 TIP3 817 -28.350 51.383 -22.285 1.00 0.00 WAT1 ATOM 3957 H1 TIP3 817 -28.686 51.642 -23.170 1.00 0.00 WAT1 ATOM 3958 H2 TIP3 817 -28.369 52.221 -21.773 1.00 0.00 WAT1 ATOM 3959 OH2 TIP3 818 -28.038 41.499 -25.414 1.00 0.00 WAT1 ATOM 3960 H1 TIP3 818 -28.300 40.952 -26.166 1.00 0.00 WAT1 ATOM 3961 H2 TIP3 818 -27.432 40.923 -24.894 1.00 0.00 WAT1 ATOM 3962 OH2 TIP3 819 -19.699 43.190 -5.777 1.00 0.00 WAT1 ATOM 3963 H1 TIP3 819 -20.182 43.784 -5.163 1.00 0.00 WAT1 ATOM 3964 H2 TIP3 819 -19.644 43.699 -6.600 1.00 0.00 WAT1 ATOM 3965 OH2 TIP3 820 -13.382 49.482 -4.931 1.00 0.00 WAT1 ATOM 3966 H1 TIP3 820 -13.109 48.565 -4.714 1.00 0.00 WAT1 ATOM 3967 H2 TIP3 820 -14.097 49.676 -4.295 1.00 0.00 WAT1 ATOM 3968 OH2 TIP3 821 -30.749 39.998 -6.140 1.00 0.00 WAT1 ATOM 3969 H1 TIP3 821 -31.423 40.710 -6.195 1.00 0.00 WAT1 ATOM 3970 H2 TIP3 821 -30.340 39.989 -7.026 1.00 0.00 WAT1 ATOM 3971 OH2 TIP3 822 -33.960 43.220 -4.157 1.00 0.00 WAT1 ATOM 3972 H1 TIP3 822 -33.603 42.525 -4.734 1.00 0.00 WAT1 ATOM 3973 H2 TIP3 822 -34.297 42.744 -3.393 1.00 0.00 WAT1 ATOM 3974 OH2 TIP3 823 -20.254 45.741 2.695 1.00 0.00 WAT1 ATOM 3975 H1 TIP3 823 -20.649 46.370 3.303 1.00 0.00 WAT1 ATOM 3976 H2 TIP3 823 -19.373 46.123 2.494 1.00 0.00 WAT1 ATOM 3977 OH2 TIP3 824 -24.175 39.679 -3.871 1.00 0.00 WAT1 ATOM 3978 H1 TIP3 824 -23.518 40.282 -3.471 1.00 0.00 WAT1 ATOM 3979 H2 TIP3 824 -24.875 39.601 -3.187 1.00 0.00 WAT1 ATOM 3980 OH2 TIP3 825 -30.960 38.734 -3.276 1.00 0.00 WAT1 ATOM 3981 H1 TIP3 825 -30.108 38.793 -2.795 1.00 0.00 WAT1 ATOM 3982 H2 TIP3 825 -30.903 39.427 -3.949 1.00 0.00 WAT1 ATOM 3983 OH2 TIP3 826 -24.860 46.958 -2.027 1.00 0.00 WAT1 ATOM 3984 H1 TIP3 826 -25.715 47.219 -2.438 1.00 0.00 WAT1 ATOM 3985 H2 TIP3 826 -24.206 47.162 -2.701 1.00 0.00 WAT1 ATOM 3986 OH2 TIP3 827 -25.794 39.711 1.233 1.00 0.00 WAT1 ATOM 3987 H1 TIP3 827 -24.840 39.852 1.413 1.00 0.00 WAT1 ATOM 3988 H2 TIP3 827 -26.237 40.438 1.719 1.00 0.00 WAT1 ATOM 3989 OH2 TIP3 828 -21.257 45.083 -4.517 1.00 0.00 WAT1 ATOM 3990 H1 TIP3 828 -21.808 45.873 -4.738 1.00 0.00 WAT1 ATOM 3991 H2 TIP3 828 -21.702 44.694 -3.753 1.00 0.00 WAT1 ATOM 3992 OH2 TIP3 829 -25.916 39.538 -1.658 1.00 0.00 WAT1 ATOM 3993 H1 TIP3 829 -25.565 38.939 -0.973 1.00 0.00 WAT1 ATOM 3994 H2 TIP3 829 -26.215 40.312 -1.159 1.00 0.00 WAT1 ATOM 3995 OH2 TIP3 830 -15.944 49.724 -3.580 1.00 0.00 WAT1 ATOM 3996 H1 TIP3 830 -16.046 50.298 -2.789 1.00 0.00 WAT1 ATOM 3997 H2 TIP3 830 -16.530 50.138 -4.247 1.00 0.00 WAT1 ATOM 3998 OH2 TIP3 831 -17.593 49.871 2.923 1.00 0.00 WAT1 ATOM 3999 H1 TIP3 831 -16.816 50.382 3.171 1.00 0.00 WAT1 ATOM 4000 H2 TIP3 831 -17.650 49.973 1.950 1.00 0.00 WAT1 ATOM 4001 OH2 TIP3 832 -18.094 48.056 -5.951 1.00 0.00 WAT1 ATOM 4002 H1 TIP3 832 -17.998 49.024 -5.994 1.00 0.00 WAT1 ATOM 4003 H2 TIP3 832 -17.271 47.753 -5.518 1.00 0.00 WAT1 ATOM 4004 OH2 TIP3 833 -14.436 42.229 4.565 1.00 0.00 WAT1 ATOM 4005 H1 TIP3 833 -14.201 42.896 3.880 1.00 0.00 WAT1 ATOM 4006 H2 TIP3 833 -15.331 41.954 4.324 1.00 0.00 WAT1 ATOM 4007 OH2 TIP3 834 -25.952 48.273 -8.789 1.00 0.00 WAT1 ATOM 4008 H1 TIP3 834 -25.135 47.959 -8.353 1.00 0.00 WAT1 ATOM 4009 H2 TIP3 834 -25.813 49.233 -8.895 1.00 0.00 WAT1 ATOM 4010 OH2 TIP3 835 -21.169 46.565 -8.927 1.00 0.00 WAT1 ATOM 4011 H1 TIP3 835 -20.724 46.547 -8.049 1.00 0.00 WAT1 ATOM 4012 H2 TIP3 835 -20.716 45.865 -9.433 1.00 0.00 WAT1 ATOM 4013 OH2 TIP3 836 -24.974 45.587 0.320 1.00 0.00 WAT1 ATOM 4014 H1 TIP3 836 -24.964 46.033 -0.559 1.00 0.00 WAT1 ATOM 4015 H2 TIP3 836 -24.160 45.876 0.738 1.00 0.00 WAT1 ATOM 4016 OH2 TIP3 837 -17.401 49.671 0.175 1.00 0.00 WAT1 ATOM 4017 H1 TIP3 837 -17.291 50.320 -0.546 1.00 0.00 WAT1 ATOM 4018 H2 TIP3 837 -16.482 49.406 0.403 1.00 0.00 WAT1 ATOM 4019 OH2 TIP3 838 -19.696 46.047 -6.675 1.00 0.00 WAT1 ATOM 4020 H1 TIP3 838 -20.137 45.813 -5.835 1.00 0.00 WAT1 ATOM 4021 H2 TIP3 838 -19.100 46.803 -6.431 1.00 0.00 WAT1 ATOM 4022 OH2 TIP3 839 -28.725 47.666 -5.607 1.00 0.00 WAT1 ATOM 4023 H1 TIP3 839 -28.691 47.736 -6.583 1.00 0.00 WAT1 ATOM 4024 H2 TIP3 839 -29.594 47.299 -5.428 1.00 0.00 WAT1 ATOM 4025 OH2 TIP3 840 -15.300 49.851 -6.897 1.00 0.00 WAT1 ATOM 4026 H1 TIP3 840 -14.548 49.731 -6.282 1.00 0.00 WAT1 ATOM 4027 H2 TIP3 840 -15.120 49.227 -7.611 1.00 0.00 WAT1 ATOM 4028 OH2 TIP3 841 -9.920 52.152 3.059 1.00 0.00 WAT1 ATOM 4029 H1 TIP3 841 -9.368 52.494 3.781 1.00 0.00 WAT1 ATOM 4030 H2 TIP3 841 -10.381 51.378 3.460 1.00 0.00 WAT1 ATOM 4031 OH2 TIP3 842 -24.810 35.829 -2.922 1.00 0.00 WAT1 ATOM 4032 H1 TIP3 842 -25.725 36.144 -3.003 1.00 0.00 WAT1 ATOM 4033 H2 TIP3 842 -24.481 36.254 -2.101 1.00 0.00 WAT1 ATOM 4034 OH2 TIP3 843 -18.875 44.735 -8.968 1.00 0.00 WAT1 ATOM 4035 H1 TIP3 843 -18.999 45.268 -8.155 1.00 0.00 WAT1 ATOM 4036 H2 TIP3 843 -17.963 44.930 -9.244 1.00 0.00 WAT1 ATOM 4037 OH2 TIP3 844 -27.177 44.292 1.243 1.00 0.00 WAT1 ATOM 4038 H1 TIP3 844 -27.754 45.059 1.236 1.00 0.00 WAT1 ATOM 4039 H2 TIP3 844 -26.326 44.630 0.872 1.00 0.00 WAT1 ATOM 4040 OH2 TIP3 845 -27.160 47.690 -3.333 1.00 0.00 WAT1 ATOM 4041 H1 TIP3 845 -27.902 47.934 -2.774 1.00 0.00 WAT1 ATOM 4042 H2 TIP3 845 -27.535 47.694 -4.242 1.00 0.00 WAT1 ATOM 4043 OH2 TIP3 846 -17.260 42.022 -6.486 1.00 0.00 WAT1 ATOM 4044 H1 TIP3 846 -18.100 42.319 -6.081 1.00 0.00 WAT1 ATOM 4045 H2 TIP3 846 -17.442 42.029 -7.443 1.00 0.00 WAT1 ATOM 4046 OH2 TIP3 847 -18.246 42.765 4.346 1.00 0.00 WAT1 ATOM 4047 H1 TIP3 847 -18.006 42.767 5.294 1.00 0.00 WAT1 ATOM 4048 H2 TIP3 847 -17.770 43.537 3.976 1.00 0.00 WAT1 ATOM 4049 OH2 TIP3 848 -26.392 40.959 -7.927 1.00 0.00 WAT1 ATOM 4050 H1 TIP3 848 -26.635 41.872 -8.133 1.00 0.00 WAT1 ATOM 4051 H2 TIP3 848 -27.242 40.511 -7.797 1.00 0.00 WAT1 ATOM 4052 OH2 TIP3 849 -23.072 37.288 -4.717 1.00 0.00 WAT1 ATOM 4053 H1 TIP3 849 -23.441 38.140 -4.407 1.00 0.00 WAT1 ATOM 4054 H2 TIP3 849 -23.557 36.618 -4.198 1.00 0.00 WAT1 ATOM 4055 OH2 TIP3 850 -24.305 39.488 -6.684 1.00 0.00 WAT1 ATOM 4056 H1 TIP3 850 -24.353 39.567 -5.710 1.00 0.00 WAT1 ATOM 4057 H2 TIP3 850 -25.085 39.974 -7.004 1.00 0.00 WAT1 ATOM 4058 OH2 TIP3 851 -23.657 47.004 -7.790 1.00 0.00 WAT1 ATOM 4059 H1 TIP3 851 -24.075 46.144 -7.922 1.00 0.00 WAT1 ATOM 4060 H2 TIP3 851 -22.816 46.943 -8.293 1.00 0.00 WAT1 ATOM 4061 OH2 TIP3 852 -24.198 40.720 -9.660 1.00 0.00 WAT1 ATOM 4062 H1 TIP3 852 -24.950 40.707 -9.032 1.00 0.00 WAT1 ATOM 4063 H2 TIP3 852 -24.620 40.623 -10.540 1.00 0.00 WAT1 ATOM 4064 OH2 TIP3 853 -23.255 40.448 1.812 1.00 0.00 WAT1 ATOM 4065 H1 TIP3 853 -23.444 41.223 2.386 1.00 0.00 WAT1 ATOM 4066 H2 TIP3 853 -22.771 40.829 1.050 1.00 0.00 WAT1 ATOM 4067 OH2 TIP3 854 -17.940 47.238 2.228 1.00 0.00 WAT1 ATOM 4068 H1 TIP3 854 -17.873 48.072 2.744 1.00 0.00 WAT1 ATOM 4069 H2 TIP3 854 -17.827 47.523 1.310 1.00 0.00 WAT1 ATOM 4070 OH2 TIP3 855 -14.952 48.918 0.976 1.00 0.00 WAT1 ATOM 4071 H1 TIP3 855 -14.864 48.360 1.779 1.00 0.00 WAT1 ATOM 4072 H2 TIP3 855 -14.575 48.360 0.260 1.00 0.00 WAT1 ATOM 4073 OH2 TIP3 856 -11.917 44.998 3.503 1.00 0.00 WAT1 ATOM 4074 H1 TIP3 856 -12.803 44.786 3.121 1.00 0.00 WAT1 ATOM 4075 H2 TIP3 856 -11.316 45.036 2.712 1.00 0.00 WAT1 ATOM 4076 OH2 TIP3 857 -20.999 50.774 -7.091 1.00 0.00 WAT1 ATOM 4077 H1 TIP3 857 -21.870 51.160 -7.332 1.00 0.00 WAT1 ATOM 4078 H2 TIP3 857 -21.043 50.659 -6.117 1.00 0.00 WAT1 ATOM 4079 OH2 TIP3 858 -27.491 44.487 -11.691 1.00 0.00 WAT1 ATOM 4080 H1 TIP3 858 -26.662 43.964 -11.736 1.00 0.00 WAT1 ATOM 4081 H2 TIP3 858 -27.187 45.391 -11.468 1.00 0.00 WAT1 ATOM 4082 OH2 TIP3 859 -14.045 47.066 -0.794 1.00 0.00 WAT1 ATOM 4083 H1 TIP3 859 -14.230 46.174 -0.389 1.00 0.00 WAT1 ATOM 4084 H2 TIP3 859 -14.261 46.952 -1.725 1.00 0.00 WAT1 ATOM 4085 OH2 TIP3 860 -19.509 50.752 -9.363 1.00 0.00 WAT1 ATOM 4086 H1 TIP3 860 -18.797 51.329 -9.047 1.00 0.00 WAT1 ATOM 4087 H2 TIP3 860 -20.105 50.663 -8.585 1.00 0.00 WAT1 ATOM 4088 OH2 TIP3 861 -24.093 42.628 3.236 1.00 0.00 WAT1 ATOM 4089 H1 TIP3 861 -23.972 42.329 4.169 1.00 0.00 WAT1 ATOM 4090 H2 TIP3 861 -25.042 42.470 3.056 1.00 0.00 WAT1 ATOM 4091 OH2 TIP3 862 -15.803 47.188 -4.684 1.00 0.00 WAT1 ATOM 4092 H1 TIP3 862 -14.842 46.958 -4.647 1.00 0.00 WAT1 ATOM 4093 H2 TIP3 862 -15.869 48.019 -4.165 1.00 0.00 WAT1 ATOM 4094 OH2 TIP3 863 -23.021 52.062 -8.427 1.00 0.00 WAT1 ATOM 4095 H1 TIP3 863 -23.839 51.692 -8.803 1.00 0.00 WAT1 ATOM 4096 H2 TIP3 863 -22.614 52.548 -9.176 1.00 0.00 WAT1 ATOM 4097 OH2 TIP3 864 -26.072 53.453 -8.873 1.00 0.00 WAT1 ATOM 4098 H1 TIP3 864 -26.170 53.553 -7.921 1.00 0.00 WAT1 ATOM 4099 H2 TIP3 864 -25.905 52.498 -8.998 1.00 0.00 WAT1 ATOM 4100 OH2 TIP3 865 -28.905 47.690 -8.407 1.00 0.00 WAT1 ATOM 4101 H1 TIP3 865 -29.450 48.249 -9.006 1.00 0.00 WAT1 ATOM 4102 H2 TIP3 865 -27.986 47.892 -8.662 1.00 0.00 WAT1 ATOM 4103 OH2 TIP3 866 -21.576 41.189 -5.520 1.00 0.00 WAT1 ATOM 4104 H1 TIP3 866 -20.828 41.818 -5.579 1.00 0.00 WAT1 ATOM 4105 H2 TIP3 866 -21.838 41.217 -4.579 1.00 0.00 WAT1 ATOM 4106 OH2 TIP3 867 -21.812 41.886 -0.037 1.00 0.00 WAT1 ATOM 4107 H1 TIP3 867 -20.973 41.435 -0.234 1.00 0.00 WAT1 ATOM 4108 H2 TIP3 867 -21.598 42.478 0.721 1.00 0.00 WAT1 ATOM 4109 OH2 TIP3 868 -25.387 50.891 -9.659 1.00 0.00 WAT1 ATOM 4110 H1 TIP3 868 -26.186 50.970 -10.238 1.00 0.00 WAT1 ATOM 4111 H2 TIP3 868 -24.775 50.315 -10.179 1.00 0.00 WAT1 ATOM 4112 OH2 TIP3 869 -16.443 51.592 -1.618 1.00 0.00 WAT1 ATOM 4113 H1 TIP3 869 -15.636 51.604 -1.040 1.00 0.00 WAT1 ATOM 4114 H2 TIP3 869 -16.709 52.516 -1.668 1.00 0.00 WAT1 ATOM 4115 OH2 TIP3 870 -27.902 36.341 -3.899 1.00 0.00 WAT1 ATOM 4116 H1 TIP3 870 -28.436 36.725 -4.626 1.00 0.00 WAT1 ATOM 4117 H2 TIP3 870 -28.127 35.403 -3.913 1.00 0.00 WAT1 ATOM 4118 OH2 TIP3 871 -18.903 52.549 -7.115 1.00 0.00 WAT1 ATOM 4119 H1 TIP3 871 -19.307 53.389 -7.419 1.00 0.00 WAT1 ATOM 4120 H2 TIP3 871 -19.660 51.933 -7.059 1.00 0.00 WAT1 ATOM 4121 OH2 TIP3 872 -26.302 46.888 -11.150 1.00 0.00 WAT1 ATOM 4122 H1 TIP3 872 -26.093 47.358 -10.312 1.00 0.00 WAT1 ATOM 4123 H2 TIP3 872 -25.485 46.977 -11.687 1.00 0.00 WAT1 ATOM 4124 OH2 TIP3 873 -21.220 48.847 -10.544 1.00 0.00 WAT1 ATOM 4125 H1 TIP3 873 -20.544 49.407 -10.109 1.00 0.00 WAT1 ATOM 4126 H2 TIP3 873 -21.230 48.028 -10.008 1.00 0.00 WAT1 ATOM 4127 OH2 TIP3 874 -16.598 44.889 3.465 1.00 0.00 WAT1 ATOM 4128 H1 TIP3 874 -16.845 45.707 2.989 1.00 0.00 WAT1 ATOM 4129 H2 TIP3 874 -15.740 44.623 3.058 1.00 0.00 WAT1 ATOM 4130 OH2 TIP3 875 -22.705 47.290 -5.151 1.00 0.00 WAT1 ATOM 4131 H1 TIP3 875 -22.396 48.203 -5.086 1.00 0.00 WAT1 ATOM 4132 H2 TIP3 875 -23.169 47.255 -6.012 1.00 0.00 WAT1 ATOM 4133 OH2 TIP3 876 -21.487 43.274 2.281 1.00 0.00 WAT1 ATOM 4134 H1 TIP3 876 -22.388 43.345 2.662 1.00 0.00 WAT1 ATOM 4135 H2 TIP3 876 -21.072 44.148 2.473 1.00 0.00 WAT1 ATOM 4136 OH2 TIP3 877 -25.121 43.133 -11.640 1.00 0.00 WAT1 ATOM 4137 H1 TIP3 877 -25.211 42.230 -12.008 1.00 0.00 WAT1 ATOM 4138 H2 TIP3 877 -24.384 43.064 -11.027 1.00 0.00 WAT1 ATOM 4139 OH2 TIP3 878 -17.195 46.069 10.164 1.00 0.00 WAT1 ATOM 4140 H1 TIP3 878 -17.404 46.718 10.845 1.00 0.00 WAT1 ATOM 4141 H2 TIP3 878 -17.369 46.547 9.313 1.00 0.00 WAT1 ATOM 4142 OH2 TIP3 879 -13.976 45.549 -12.770 1.00 0.00 WAT1 ATOM 4143 H1 TIP3 879 -13.938 45.594 -11.790 1.00 0.00 WAT1 ATOM 4144 H2 TIP3 879 -13.125 45.173 -13.020 1.00 0.00 WAT1 ATOM 4145 OH2 TIP3 880 -20.071 41.111 3.220 1.00 0.00 WAT1 ATOM 4146 H1 TIP3 880 -20.671 41.782 2.841 1.00 0.00 WAT1 ATOM 4147 H2 TIP3 880 -19.318 41.637 3.568 1.00 0.00 WAT1 ATOM 4148 OH2 TIP3 881 -22.648 38.208 3.281 1.00 0.00 WAT1 ATOM 4149 H1 TIP3 881 -22.884 38.958 2.688 1.00 0.00 WAT1 ATOM 4150 H2 TIP3 881 -23.155 38.383 4.099 1.00 0.00 WAT1 ATOM 4151 OH2 TIP3 882 -22.064 41.305 -2.758 1.00 0.00 WAT1 ATOM 4152 H1 TIP3 882 -21.245 40.851 -2.477 1.00 0.00 WAT1 ATOM 4153 H2 TIP3 882 -22.381 41.740 -1.940 1.00 0.00 WAT1 ATOM 4154 OH2 TIP3 883 -13.280 39.939 5.710 1.00 0.00 WAT1 ATOM 4155 H1 TIP3 883 -13.661 40.727 5.275 1.00 0.00 WAT1 ATOM 4156 H2 TIP3 883 -12.923 40.284 6.558 1.00 0.00 WAT1 ATOM 4157 OH2 TIP3 884 -20.874 38.977 6.690 1.00 0.00 WAT1 ATOM 4158 H1 TIP3 884 -20.720 39.935 6.870 1.00 0.00 WAT1 ATOM 4159 H2 TIP3 884 -20.529 38.850 5.777 1.00 0.00 WAT1 ATOM 4160 OH2 TIP3 885 -26.781 41.962 2.537 1.00 0.00 WAT1 ATOM 4161 H1 TIP3 885 -27.602 41.879 3.031 1.00 0.00 WAT1 ATOM 4162 H2 TIP3 885 -26.908 42.781 1.995 1.00 0.00 WAT1 ATOM 4163 OH2 TIP3 886 -20.080 38.546 4.098 1.00 0.00 WAT1 ATOM 4164 H1 TIP3 886 -20.954 38.302 3.718 1.00 0.00 WAT1 ATOM 4165 H2 TIP3 886 -19.917 39.455 3.747 1.00 0.00 WAT1 ATOM 4166 OH2 TIP3 887 -30.556 48.979 -10.283 1.00 0.00 WAT1 ATOM 4167 H1 TIP3 887 -31.052 49.708 -10.696 1.00 0.00 WAT1 ATOM 4168 H2 TIP3 887 -30.608 48.255 -10.939 1.00 0.00 WAT1 ATOM 4169 OH2 TIP3 888 -14.363 51.476 0.064 1.00 0.00 WAT1 ATOM 4170 H1 TIP3 888 -13.476 51.816 0.328 1.00 0.00 WAT1 ATOM 4171 H2 TIP3 888 -14.418 50.599 0.493 1.00 0.00 WAT1 ATOM 4172 OH2 TIP3 889 -10.690 48.367 6.607 1.00 0.00 WAT1 ATOM 4173 H1 TIP3 889 -10.114 47.697 7.030 1.00 0.00 WAT1 ATOM 4174 H2 TIP3 889 -11.456 47.847 6.274 1.00 0.00 WAT1 ATOM 4175 OH2 TIP3 890 -14.153 46.865 2.558 1.00 0.00 WAT1 ATOM 4176 H1 TIP3 890 -14.321 45.942 2.280 1.00 0.00 WAT1 ATOM 4177 H2 TIP3 890 -13.330 47.107 2.085 1.00 0.00 WAT1 ATOM 4178 OH2 TIP3 891 -28.419 38.452 -2.264 1.00 0.00 WAT1 ATOM 4179 H1 TIP3 891 -28.180 37.688 -2.835 1.00 0.00 WAT1 ATOM 4180 H2 TIP3 891 -27.563 38.877 -2.067 1.00 0.00 WAT1 ATOM 4181 OH2 TIP3 892 -20.911 54.155 -8.062 1.00 0.00 WAT1 ATOM 4182 H1 TIP3 892 -21.128 54.173 -9.015 1.00 0.00 WAT1 ATOM 4183 H2 TIP3 892 -21.693 53.767 -7.651 1.00 0.00 WAT1 ATOM 4184 OH2 TIP3 893 -20.207 50.445 -4.455 1.00 0.00 WAT1 ATOM 4185 H1 TIP3 893 -20.103 50.416 -3.499 1.00 0.00 WAT1 ATOM 4186 H2 TIP3 893 -19.293 50.456 -4.794 1.00 0.00 WAT1 ATOM 4187 OH2 TIP3 894 -26.505 35.483 3.296 1.00 0.00 WAT1 ATOM 4188 H1 TIP3 894 -27.277 34.952 3.067 1.00 0.00 WAT1 ATOM 4189 H2 TIP3 894 -26.176 35.077 4.128 1.00 0.00 WAT1 ATOM 4190 OH2 TIP3 895 -23.807 41.514 5.687 1.00 0.00 WAT1 ATOM 4191 H1 TIP3 895 -23.646 41.737 6.607 1.00 0.00 WAT1 ATOM 4192 H2 TIP3 895 -23.790 40.533 5.671 1.00 0.00 WAT1 ATOM 4193 OH2 TIP3 896 -27.448 50.831 -11.418 1.00 0.00 WAT1 ATOM 4194 H1 TIP3 896 -27.853 49.946 -11.535 1.00 0.00 WAT1 ATOM 4195 H2 TIP3 896 -28.106 51.445 -11.810 1.00 0.00 WAT1 ATOM 4196 OH2 TIP3 897 -18.183 43.594 9.543 1.00 0.00 WAT1 ATOM 4197 H1 TIP3 897 -17.813 44.465 9.805 1.00 0.00 WAT1 ATOM 4198 H2 TIP3 897 -18.882 43.432 10.183 1.00 0.00 WAT1 ATOM 4199 OH2 TIP3 898 -17.713 47.269 7.815 1.00 0.00 WAT1 ATOM 4200 H1 TIP3 898 -17.911 48.019 7.250 1.00 0.00 WAT1 ATOM 4201 H2 TIP3 898 -17.382 46.577 7.191 1.00 0.00 WAT1 ATOM 4202 OH2 TIP3 899 -14.710 44.827 10.193 1.00 0.00 WAT1 ATOM 4203 H1 TIP3 899 -15.577 45.282 10.212 1.00 0.00 WAT1 ATOM 4204 H2 TIP3 899 -14.786 44.205 9.457 1.00 0.00 WAT1 ATOM 4205 OH2 TIP3 900 -17.547 42.767 7.042 1.00 0.00 WAT1 ATOM 4206 H1 TIP3 900 -16.610 42.488 7.172 1.00 0.00 WAT1 ATOM 4207 H2 TIP3 900 -17.838 43.046 7.944 1.00 0.00 WAT1 ATOM 4208 OH2 TIP3 901 -20.281 41.640 6.723 1.00 0.00 WAT1 ATOM 4209 H1 TIP3 901 -19.405 41.985 6.964 1.00 0.00 WAT1 ATOM 4210 H2 TIP3 901 -20.409 41.932 5.811 1.00 0.00 WAT1 ATOM 4211 OH2 TIP3 902 -14.521 38.093 7.346 1.00 0.00 WAT1 ATOM 4212 H1 TIP3 902 -14.138 38.629 6.619 1.00 0.00 WAT1 ATOM 4213 H2 TIP3 902 -14.147 38.492 8.158 1.00 0.00 WAT1 ATOM 4214 OH2 TIP3 903 -14.848 42.401 7.354 1.00 0.00 WAT1 ATOM 4215 H1 TIP3 903 -14.565 42.522 6.428 1.00 0.00 WAT1 ATOM 4216 H2 TIP3 903 -14.089 41.949 7.778 1.00 0.00 WAT1 ATOM 4217 OH2 TIP3 904 -10.487 43.422 11.380 1.00 0.00 WAT1 ATOM 4218 H1 TIP3 904 -10.935 42.802 10.783 1.00 0.00 WAT1 ATOM 4219 H2 TIP3 904 -11.148 44.130 11.533 1.00 0.00 WAT1 ATOM 4220 OH2 TIP3 905 -17.811 39.237 10.267 1.00 0.00 WAT1 ATOM 4221 H1 TIP3 905 -17.567 40.147 10.065 1.00 0.00 WAT1 ATOM 4222 H2 TIP3 905 -16.993 38.848 10.649 1.00 0.00 WAT1 ATOM 4223 OH2 TIP3 906 -19.436 37.017 10.231 1.00 0.00 WAT1 ATOM 4224 H1 TIP3 906 -19.759 36.975 9.307 1.00 0.00 WAT1 ATOM 4225 H2 TIP3 906 -18.995 37.899 10.292 1.00 0.00 WAT1 ATOM 4226 OH2 TIP3 907 -16.835 45.337 6.159 1.00 0.00 WAT1 ATOM 4227 H1 TIP3 907 -17.046 44.436 6.464 1.00 0.00 WAT1 ATOM 4228 H2 TIP3 907 -16.710 45.241 5.191 1.00 0.00 WAT1 ATOM 4229 OH2 TIP3 908 -12.386 45.411 11.439 1.00 0.00 WAT1 ATOM 4230 H1 TIP3 908 -13.283 45.121 11.140 1.00 0.00 WAT1 ATOM 4231 H2 TIP3 908 -12.116 46.058 10.776 1.00 0.00 WAT1 ATOM 4232 OH2 TIP3 909 -11.488 40.238 3.370 1.00 0.00 WAT1 ATOM 4233 H1 TIP3 909 -11.597 40.100 2.410 1.00 0.00 WAT1 ATOM 4234 H2 TIP3 909 -12.228 39.754 3.769 1.00 0.00 WAT1 ATOM 4235 OH2 TIP3 910 -12.592 40.995 8.147 1.00 0.00 WAT1 ATOM 4236 H1 TIP3 910 -12.845 40.333 8.833 1.00 0.00 WAT1 ATOM 4237 H2 TIP3 910 -11.707 41.316 8.438 1.00 0.00 WAT1 ATOM 4238 OH2 TIP3 911 -15.630 37.848 11.153 1.00 0.00 WAT1 ATOM 4239 H1 TIP3 911 -16.077 37.052 10.792 1.00 0.00 WAT1 ATOM 4240 H2 TIP3 911 -15.141 37.509 11.935 1.00 0.00 WAT1 ATOM 4241 OH2 TIP3 912 -11.861 36.050 14.440 1.00 0.00 WAT1 ATOM 4242 H1 TIP3 912 -11.242 36.301 13.712 1.00 0.00 WAT1 ATOM 4243 H2 TIP3 912 -11.779 36.771 15.074 1.00 0.00 WAT1 ATOM 4244 OH2 TIP3 913 -20.345 36.516 7.688 1.00 0.00 WAT1 ATOM 4245 H1 TIP3 913 -20.588 37.451 7.476 1.00 0.00 WAT1 ATOM 4246 H2 TIP3 913 -20.115 36.129 6.808 1.00 0.00 WAT1 ATOM 4247 OH2 TIP3 914 -23.098 53.228 -17.820 1.00 0.00 WAT1 ATOM 4248 H1 TIP3 914 -23.699 53.199 -17.041 1.00 0.00 WAT1 ATOM 4249 H2 TIP3 914 -23.137 54.169 -18.117 1.00 0.00 WAT1 ATOM 4250 OH2 TIP3 915 -23.291 55.819 -18.671 1.00 0.00 WAT1 ATOM 4251 H1 TIP3 915 -22.867 56.665 -18.440 1.00 0.00 WAT1 ATOM 4252 H2 TIP3 915 -23.844 56.038 -19.441 1.00 0.00 WAT1 ATOM 4253 OH2 TIP3 916 -21.070 52.470 -16.048 1.00 0.00 WAT1 ATOM 4254 H1 TIP3 916 -20.412 52.124 -16.693 1.00 0.00 WAT1 ATOM 4255 H2 TIP3 916 -21.768 52.862 -16.612 1.00 0.00 WAT1 ATOM 4256 OH2 TIP3 917 -22.946 58.592 -19.187 1.00 0.00 WAT1 ATOM 4257 H1 TIP3 917 -23.591 58.203 -19.807 1.00 0.00 WAT1 ATOM 4258 H2 TIP3 917 -22.891 59.513 -19.446 1.00 0.00 WAT1 ATOM 4259 OH2 TIP3 918 -23.931 55.302 -13.744 1.00 0.00 WAT1 ATOM 4260 H1 TIP3 918 -23.981 54.661 -14.486 1.00 0.00 WAT1 ATOM 4261 H2 TIP3 918 -22.993 55.316 -13.508 1.00 0.00 WAT1 ATOM 4262 OH2 TIP3 919 -24.698 53.844 -11.194 1.00 0.00 WAT1 ATOM 4263 H1 TIP3 919 -25.303 53.786 -10.419 1.00 0.00 WAT1 ATOM 4264 H2 TIP3 919 -25.065 54.561 -11.729 1.00 0.00 WAT1 ATOM 4265 OH2 TIP3 920 -31.472 54.978 -17.448 1.00 0.00 WAT1 ATOM 4266 H1 TIP3 920 -31.956 54.535 -18.172 1.00 0.00 WAT1 ATOM 4267 H2 TIP3 920 -32.149 55.533 -17.014 1.00 0.00 WAT1 ATOM 4268 OH2 TIP3 921 -24.681 57.084 -20.840 1.00 0.00 WAT1 ATOM 4269 H1 TIP3 921 -24.589 57.122 -21.797 1.00 0.00 WAT1 ATOM 4270 H2 TIP3 921 -25.570 56.677 -20.701 1.00 0.00 WAT1 ATOM 4271 OH2 TIP3 922 -29.499 52.503 -24.521 1.00 0.00 WAT1 ATOM 4272 H1 TIP3 922 -29.980 52.461 -25.380 1.00 0.00 WAT1 ATOM 4273 H2 TIP3 922 -30.001 53.147 -24.003 1.00 0.00 WAT1 ATOM 4274 OH2 TIP3 923 -29.273 53.569 -16.700 1.00 0.00 WAT1 ATOM 4275 H1 TIP3 923 -29.034 53.013 -17.472 1.00 0.00 WAT1 ATOM 4276 H2 TIP3 923 -30.008 54.142 -17.034 1.00 0.00 WAT1 ATOM 4277 OH2 TIP3 924 -26.581 55.977 -13.639 1.00 0.00 WAT1 ATOM 4278 H1 TIP3 924 -26.631 56.783 -14.165 1.00 0.00 WAT1 ATOM 4279 H2 TIP3 924 -25.618 55.767 -13.614 1.00 0.00 WAT1 ATOM 4280 OH2 TIP3 925 -10.853 -27.687 19.675 1.00 0.00 WAT1 ATOM 4281 H1 TIP3 925 -11.439 -28.331 20.088 1.00 0.00 WAT1 ATOM 4282 H2 TIP3 925 -11.182 -27.613 18.764 1.00 0.00 WAT1 ATOM 4283 OH2 TIP3 926 -14.078 -26.664 17.782 1.00 0.00 WAT1 ATOM 4284 H1 TIP3 926 -13.164 -26.935 17.568 1.00 0.00 WAT1 ATOM 4285 H2 TIP3 926 -13.971 -25.976 18.464 1.00 0.00 WAT1 ATOM 4286 OH2 TIP3 927 -10.423 -26.650 11.758 1.00 0.00 WAT1 ATOM 4287 H1 TIP3 927 -11.087 -26.190 11.201 1.00 0.00 WAT1 ATOM 4288 H2 TIP3 927 -9.697 -26.835 11.155 1.00 0.00 WAT1 ATOM 4289 OH2 TIP3 928 -15.878 -28.153 16.282 1.00 0.00 WAT1 ATOM 4290 H1 TIP3 928 -15.545 -29.080 16.253 1.00 0.00 WAT1 ATOM 4291 H2 TIP3 928 -15.214 -27.673 16.832 1.00 0.00 WAT1 ATOM 4292 OH2 TIP3 929 -11.567 -27.479 14.096 1.00 0.00 WAT1 ATOM 4293 H1 TIP3 929 -11.061 -27.083 13.345 1.00 0.00 WAT1 ATOM 4294 H2 TIP3 929 -11.453 -28.430 13.980 1.00 0.00 WAT1 ATOM 4295 OH2 TIP3 930 -13.673 -24.272 19.654 1.00 0.00 WAT1 ATOM 4296 H1 TIP3 930 -14.078 -23.626 20.251 1.00 0.00 WAT1 ATOM 4297 H2 TIP3 930 -12.722 -24.102 19.735 1.00 0.00 WAT1 ATOM 4298 OH2 TIP3 931 -13.463 -22.824 10.519 1.00 0.00 WAT1 ATOM 4299 H1 TIP3 931 -12.762 -22.142 10.435 1.00 0.00 WAT1 ATOM 4300 H2 TIP3 931 -14.231 -22.435 10.047 1.00 0.00 WAT1 ATOM 4301 OH2 TIP3 932 -10.836 -28.498 24.983 1.00 0.00 WAT1 ATOM 4302 H1 TIP3 932 -10.333 -27.719 25.299 1.00 0.00 WAT1 ATOM 4303 H2 TIP3 932 -10.228 -29.233 25.096 1.00 0.00 WAT1 ATOM 4304 OH2 TIP3 933 -11.570 -23.198 23.341 1.00 0.00 WAT1 ATOM 4305 H1 TIP3 933 -12.059 -24.006 23.051 1.00 0.00 WAT1 ATOM 4306 H2 TIP3 933 -10.675 -23.539 23.592 1.00 0.00 WAT1 ATOM 4307 OH2 TIP3 934 -12.723 -25.444 22.325 1.00 0.00 WAT1 ATOM 4308 H1 TIP3 934 -12.739 -26.289 22.841 1.00 0.00 WAT1 ATOM 4309 H2 TIP3 934 -13.565 -25.455 21.836 1.00 0.00 WAT1 ATOM 4310 OH2 TIP3 935 -9.387 -29.226 17.035 1.00 0.00 WAT1 ATOM 4311 H1 TIP3 935 -9.117 -30.086 16.693 1.00 0.00 WAT1 ATOM 4312 H2 TIP3 935 -8.732 -29.022 17.713 1.00 0.00 WAT1 ATOM 4313 OH2 TIP3 936 -9.274 -24.516 23.865 1.00 0.00 WAT1 ATOM 4314 H1 TIP3 936 -9.371 -25.058 23.050 1.00 0.00 WAT1 ATOM 4315 H2 TIP3 936 -9.187 -25.174 24.581 1.00 0.00 WAT1 ATOM 4316 OH2 TIP3 937 -10.090 -25.784 21.590 1.00 0.00 WAT1 ATOM 4317 H1 TIP3 937 -11.038 -25.656 21.789 1.00 0.00 WAT1 ATOM 4318 H2 TIP3 937 -10.088 -26.459 20.883 1.00 0.00 WAT1 ATOM 4319 OH2 TIP3 938 -15.427 -26.342 22.102 1.00 0.00 WAT1 ATOM 4320 H1 TIP3 938 -14.966 -27.106 22.490 1.00 0.00 WAT1 ATOM 4321 H2 TIP3 938 -16.355 -26.650 21.996 1.00 0.00 WAT1 ATOM 4322 OH2 TIP3 939 -11.201 -22.727 20.493 1.00 0.00 WAT1 ATOM 4323 H1 TIP3 939 -11.389 -22.974 21.418 1.00 0.00 WAT1 ATOM 4324 H2 TIP3 939 -10.220 -22.815 20.419 1.00 0.00 WAT1 ATOM 4325 OH2 TIP3 940 -11.517 -20.860 10.187 1.00 0.00 WAT1 ATOM 4326 H1 TIP3 940 -10.807 -21.105 9.583 1.00 0.00 WAT1 ATOM 4327 H2 TIP3 940 -11.050 -20.659 11.038 1.00 0.00 WAT1 ATOM 4328 OH2 TIP3 941 -10.655 -20.739 26.118 1.00 0.00 WAT1 ATOM 4329 H1 TIP3 941 -9.778 -21.130 26.020 1.00 0.00 WAT1 ATOM 4330 H2 TIP3 941 -10.531 -20.047 26.804 1.00 0.00 WAT1 ATOM 4331 OH2 TIP3 942 -11.446 -20.442 23.403 1.00 0.00 WAT1 ATOM 4332 H1 TIP3 942 -11.479 -21.402 23.222 1.00 0.00 WAT1 ATOM 4333 H2 TIP3 942 -11.140 -20.386 24.328 1.00 0.00 WAT1 ATOM 4334 OH2 TIP3 943 -9.491 -26.286 26.017 1.00 0.00 WAT1 ATOM 4335 H1 TIP3 943 -8.938 -26.215 26.801 1.00 0.00 WAT1 ATOM 4336 H2 TIP3 943 -10.326 -25.822 26.267 1.00 0.00 WAT1 ATOM 4337 OH2 TIP3 944 -13.429 -16.327 15.626 1.00 0.00 WAT1 ATOM 4338 H1 TIP3 944 -13.612 -15.369 15.525 1.00 0.00 WAT1 ATOM 4339 H2 TIP3 944 -14.285 -16.706 15.921 1.00 0.00 WAT1 ATOM 4340 OH2 TIP3 945 -13.750 -19.652 17.566 1.00 0.00 WAT1 ATOM 4341 H1 TIP3 945 -13.508 -20.093 18.407 1.00 0.00 WAT1 ATOM 4342 H2 TIP3 945 -14.720 -19.696 17.543 1.00 0.00 WAT1 ATOM 4343 OH2 TIP3 946 -11.619 -27.724 16.878 1.00 0.00 WAT1 ATOM 4344 H1 TIP3 946 -11.651 -27.412 15.947 1.00 0.00 WAT1 ATOM 4345 H2 TIP3 946 -10.746 -28.181 16.947 1.00 0.00 WAT1 ATOM 4346 OH2 TIP3 947 -10.111 -18.706 27.944 1.00 0.00 WAT1 ATOM 4347 H1 TIP3 947 -9.323 -18.119 27.864 1.00 0.00 WAT1 ATOM 4348 H2 TIP3 947 -10.339 -18.665 28.898 1.00 0.00 WAT1 ATOM 4349 OH2 TIP3 948 -8.521 -22.543 20.245 1.00 0.00 WAT1 ATOM 4350 H1 TIP3 948 -7.936 -23.117 20.754 1.00 0.00 WAT1 ATOM 4351 H2 TIP3 948 -8.058 -21.683 20.221 1.00 0.00 WAT1 ATOM 4352 OH2 TIP3 949 -11.153 -18.892 17.406 1.00 0.00 WAT1 ATOM 4353 H1 TIP3 949 -10.866 -19.817 17.590 1.00 0.00 WAT1 ATOM 4354 H2 TIP3 949 -12.124 -18.972 17.255 1.00 0.00 WAT1 ATOM 4355 OH2 TIP3 950 -12.914 -20.637 19.975 1.00 0.00 WAT1 ATOM 4356 H1 TIP3 950 -13.652 -20.958 20.539 1.00 0.00 WAT1 ATOM 4357 H2 TIP3 950 -12.243 -21.350 20.039 1.00 0.00 WAT1 ATOM 4358 OH2 TIP3 951 -10.419 -21.371 18.083 1.00 0.00 WAT1 ATOM 4359 H1 TIP3 951 -10.598 -21.911 18.874 1.00 0.00 WAT1 ATOM 4360 H2 TIP3 951 -9.997 -21.983 17.470 1.00 0.00 WAT1 ATOM 4361 OH2 TIP3 952 -10.661 -18.213 30.592 1.00 0.00 WAT1 ATOM 4362 H1 TIP3 952 -10.936 -19.073 30.982 1.00 0.00 WAT1 ATOM 4363 H2 TIP3 952 -11.501 -17.701 30.515 1.00 0.00 WAT1 ATOM 4364 OH2 TIP3 953 -4.153 -10.305 16.837 1.00 0.00 WAT1 ATOM 4365 H1 TIP3 953 -3.735 -9.435 16.982 1.00 0.00 WAT1 ATOM 4366 H2 TIP3 953 -3.498 -10.947 17.181 1.00 0.00 WAT1 ATOM 4367 OH2 TIP3 954 -10.389 -13.040 16.485 1.00 0.00 WAT1 ATOM 4368 H1 TIP3 954 -9.460 -13.022 16.181 1.00 0.00 WAT1 ATOM 4369 H2 TIP3 954 -10.875 -12.532 15.804 1.00 0.00 WAT1 ATOM 4370 OH2 TIP3 955 -6.271 -2.853 16.943 1.00 0.00 WAT1 ATOM 4371 H1 TIP3 955 -5.637 -3.388 17.466 1.00 0.00 WAT1 ATOM 4372 H2 TIP3 955 -5.737 -2.517 16.206 1.00 0.00 WAT1 ATOM 4373 OH2 TIP3 956 -7.631 -15.974 16.918 1.00 0.00 WAT1 ATOM 4374 H1 TIP3 956 -7.714 -15.045 16.607 1.00 0.00 WAT1 ATOM 4375 H2 TIP3 956 -6.705 -16.215 16.699 1.00 0.00 WAT1 ATOM 4376 OH2 TIP3 957 -4.378 -14.010 16.675 1.00 0.00 WAT1 ATOM 4377 H1 TIP3 957 -4.635 -14.918 16.407 1.00 0.00 WAT1 ATOM 4378 H2 TIP3 957 -4.816 -13.429 16.012 1.00 0.00 WAT1 ATOM 4379 OH2 TIP3 958 -9.303 -5.514 14.485 1.00 0.00 WAT1 ATOM 4380 H1 TIP3 958 -8.860 -6.358 14.332 1.00 0.00 WAT1 ATOM 4381 H2 TIP3 958 -8.618 -4.952 14.876 1.00 0.00 WAT1 ATOM 4382 OH2 TIP3 959 -5.034 -19.800 12.471 1.00 0.00 WAT1 ATOM 4383 H1 TIP3 959 -4.975 -20.238 11.618 1.00 0.00 WAT1 ATOM 4384 H2 TIP3 959 -5.956 -19.961 12.762 1.00 0.00 WAT1 ATOM 4385 OH2 TIP3 960 -4.804 -11.262 12.610 1.00 0.00 WAT1 ATOM 4386 H1 TIP3 960 -5.318 -11.457 11.820 1.00 0.00 WAT1 ATOM 4387 H2 TIP3 960 -4.050 -10.759 12.285 1.00 0.00 WAT1 ATOM 4388 OH2 TIP3 961 -5.564 -13.440 19.130 1.00 0.00 WAT1 ATOM 4389 H1 TIP3 961 -5.118 -13.697 18.300 1.00 0.00 WAT1 ATOM 4390 H2 TIP3 961 -4.832 -13.142 19.710 1.00 0.00 WAT1 ATOM 4391 OH2 TIP3 962 -4.070 -4.149 17.898 1.00 0.00 WAT1 ATOM 4392 H1 TIP3 962 -3.316 -4.577 18.335 1.00 0.00 WAT1 ATOM 4393 H2 TIP3 962 -3.662 -3.529 17.258 1.00 0.00 WAT1 ATOM 4394 OH2 TIP3 963 -5.544 1.647 17.335 1.00 0.00 WAT1 ATOM 4395 H1 TIP3 963 -6.126 2.425 17.211 1.00 0.00 WAT1 ATOM 4396 H2 TIP3 963 -6.167 0.895 17.418 1.00 0.00 WAT1 ATOM 4397 OH2 TIP3 964 -5.502 -12.065 15.138 1.00 0.00 WAT1 ATOM 4398 H1 TIP3 964 -5.118 -11.346 15.692 1.00 0.00 WAT1 ATOM 4399 H2 TIP3 964 -5.287 -11.796 14.215 1.00 0.00 WAT1 ATOM 4400 OH2 TIP3 965 -2.546 -6.016 19.530 1.00 0.00 WAT1 ATOM 4401 H1 TIP3 965 -3.195 -6.061 20.258 1.00 0.00 WAT1 ATOM 4402 H2 TIP3 965 -1.692 -6.163 19.968 1.00 0.00 WAT1 ATOM 4403 OH2 TIP3 966 -10.148 -1.238 13.762 1.00 0.00 WAT1 ATOM 4404 H1 TIP3 966 -9.833 -2.105 13.410 1.00 0.00 WAT1 ATOM 4405 H2 TIP3 966 -10.313 -0.711 12.972 1.00 0.00 WAT1 ATOM 4406 OH2 TIP3 967 -8.515 -18.289 18.198 1.00 0.00 WAT1 ATOM 4407 H1 TIP3 967 -9.405 -18.453 17.822 1.00 0.00 WAT1 ATOM 4408 H2 TIP3 967 -8.205 -17.483 17.734 1.00 0.00 WAT1 ATOM 4409 OH2 TIP3 968 -7.438 -18.851 22.380 1.00 0.00 WAT1 ATOM 4410 H1 TIP3 968 -6.649 -18.320 22.231 1.00 0.00 WAT1 ATOM 4411 H2 TIP3 968 -7.502 -19.411 21.579 1.00 0.00 WAT1 ATOM 4412 OH2 TIP3 969 -7.943 -13.951 20.392 1.00 0.00 WAT1 ATOM 4413 H1 TIP3 969 -8.542 -14.311 19.709 1.00 0.00 WAT1 ATOM 4414 H2 TIP3 969 -7.081 -13.842 19.925 1.00 0.00 WAT1 ATOM 4415 OH2 TIP3 970 -7.620 -13.264 16.404 1.00 0.00 WAT1 ATOM 4416 H1 TIP3 970 -6.990 -12.847 15.775 1.00 0.00 WAT1 ATOM 4417 H2 TIP3 970 -7.290 -13.002 17.277 1.00 0.00 WAT1 ATOM 4418 OH2 TIP3 971 -9.705 -14.797 18.418 1.00 0.00 WAT1 ATOM 4419 H1 TIP3 971 -9.171 -15.438 17.910 1.00 0.00 WAT1 ATOM 4420 H2 TIP3 971 -10.041 -14.172 17.732 1.00 0.00 WAT1 ATOM 4421 OH2 TIP3 972 -3.143 -12.605 20.204 1.00 0.00 WAT1 ATOM 4422 H1 TIP3 972 -2.283 -12.883 20.595 1.00 0.00 WAT1 ATOM 4423 H2 TIP3 972 -2.914 -12.353 19.286 1.00 0.00 WAT1 ATOM 4424 OH2 TIP3 973 -3.960 -17.900 14.106 1.00 0.00 WAT1 ATOM 4425 H1 TIP3 973 -4.387 -18.621 13.587 1.00 0.00 WAT1 ATOM 4426 H2 TIP3 973 -3.173 -17.682 13.598 1.00 0.00 WAT1 ATOM 4427 OH2 TIP3 974 -10.770 -16.896 15.602 1.00 0.00 WAT1 ATOM 4428 H1 TIP3 974 -10.889 -17.594 16.277 1.00 0.00 WAT1 ATOM 4429 H2 TIP3 974 -11.675 -16.545 15.463 1.00 0.00 WAT1 ATOM 4430 OH2 TIP3 975 -5.050 -16.628 16.210 1.00 0.00 WAT1 ATOM 4431 H1 TIP3 975 -4.737 -17.024 15.358 1.00 0.00 WAT1 ATOM 4432 H2 TIP3 975 -4.567 -17.117 16.885 1.00 0.00 WAT1 ATOM 4433 OH2 TIP3 976 -10.082 -20.328 12.423 1.00 0.00 WAT1 ATOM 4434 H1 TIP3 976 -9.127 -20.363 12.641 1.00 0.00 WAT1 ATOM 4435 H2 TIP3 976 -10.475 -19.847 13.161 1.00 0.00 WAT1 ATOM 4436 OH2 TIP3 977 -2.427 -12.358 17.548 1.00 0.00 WAT1 ATOM 4437 H1 TIP3 977 -1.558 -12.681 17.283 1.00 0.00 WAT1 ATOM 4438 H2 TIP3 977 -3.053 -13.038 17.203 1.00 0.00 WAT1 ATOM 4439 OH2 TIP3 978 -3.686 -10.382 24.228 1.00 0.00 WAT1 ATOM 4440 H1 TIP3 978 -2.850 -9.883 24.347 1.00 0.00 WAT1 ATOM 4441 H2 TIP3 978 -4.304 -9.720 23.845 1.00 0.00 WAT1 ATOM 4442 OH2 TIP3 979 -1.775 -8.465 24.703 1.00 0.00 WAT1 ATOM 4443 H1 TIP3 979 -1.120 -7.741 24.708 1.00 0.00 WAT1 ATOM 4444 H2 TIP3 979 -2.296 -8.321 25.518 1.00 0.00 WAT1 ATOM 4445 OH2 TIP3 980 -1.196 -6.975 22.209 1.00 0.00 WAT1 ATOM 4446 H1 TIP3 980 -0.719 -6.531 22.939 1.00 0.00 WAT1 ATOM 4447 H2 TIP3 980 -1.256 -7.899 22.495 1.00 0.00 WAT1 ATOM 4448 OH2 TIP3 981 -5.652 -8.051 18.453 1.00 0.00 WAT1 ATOM 4449 H1 TIP3 981 -4.789 -7.866 18.025 1.00 0.00 WAT1 ATOM 4450 H2 TIP3 981 -5.758 -9.008 18.360 1.00 0.00 WAT1 ATOM 4451 OH2 TIP3 982 -3.142 -7.697 17.370 1.00 0.00 WAT1 ATOM 4452 H1 TIP3 982 -2.609 -7.386 16.630 1.00 0.00 WAT1 ATOM 4453 H2 TIP3 982 -2.878 -7.114 18.118 1.00 0.00 WAT1 ATOM 4454 OH2 TIP3 983 -9.473 -3.549 12.561 1.00 0.00 WAT1 ATOM 4455 H1 TIP3 983 -9.598 -4.310 13.161 1.00 0.00 WAT1 ATOM 4456 H2 TIP3 983 -9.434 -3.942 11.684 1.00 0.00 WAT1 ATOM 4457 OH2 TIP3 984 -3.600 -2.274 15.917 1.00 0.00 WAT1 ATOM 4458 H1 TIP3 984 -3.230 -2.358 15.033 1.00 0.00 WAT1 ATOM 4459 H2 TIP3 984 -3.510 -1.313 16.124 1.00 0.00 WAT1 ATOM 4460 OH2 TIP3 985 -0.592 -13.175 20.931 1.00 0.00 WAT1 ATOM 4461 H1 TIP3 985 -0.263 -13.640 21.732 1.00 0.00 WAT1 ATOM 4462 H2 TIP3 985 0.178 -12.708 20.599 1.00 0.00 WAT1 ATOM 4463 OH2 TIP3 986 -7.557 -20.180 13.563 1.00 0.00 WAT1 ATOM 4464 H1 TIP3 986 -7.446 -20.705 14.363 1.00 0.00 WAT1 ATOM 4465 H2 TIP3 986 -7.819 -19.284 13.898 1.00 0.00 WAT1 ATOM 4466 OH2 TIP3 987 -12.522 -4.476 18.840 1.00 0.00 WAT1 ATOM 4467 H1 TIP3 987 -13.341 -4.095 19.194 1.00 0.00 WAT1 ATOM 4468 H2 TIP3 987 -12.802 -4.929 18.032 1.00 0.00 WAT1 ATOM 4469 OH2 TIP3 988 -5.248 -8.378 23.128 1.00 0.00 WAT1 ATOM 4470 H1 TIP3 988 -4.770 -7.686 22.626 1.00 0.00 WAT1 ATOM 4471 H2 TIP3 988 -5.545 -7.918 23.945 1.00 0.00 WAT1 ATOM 4472 OH2 TIP3 989 -7.713 -9.164 22.267 1.00 0.00 WAT1 ATOM 4473 H1 TIP3 989 -6.771 -8.912 22.397 1.00 0.00 WAT1 ATOM 4474 H2 TIP3 989 -7.683 -10.141 22.160 1.00 0.00 WAT1 ATOM 4475 OH2 TIP3 990 -7.474 -11.954 22.178 1.00 0.00 WAT1 ATOM 4476 H1 TIP3 990 -6.484 -11.927 22.143 1.00 0.00 WAT1 ATOM 4477 H2 TIP3 990 -7.715 -12.653 21.528 1.00 0.00 WAT1 ATOM 4478 OH2 TIP3 991 -0.213 -6.177 24.710 1.00 0.00 WAT1 ATOM 4479 H1 TIP3 991 0.648 -5.840 24.985 1.00 0.00 WAT1 ATOM 4480 H2 TIP3 991 -0.830 -5.870 25.415 1.00 0.00 WAT1 ATOM 4481 OH2 TIP3 992 -7.246 -13.525 24.456 1.00 0.00 WAT1 ATOM 4482 H1 TIP3 992 -6.471 -13.061 24.860 1.00 0.00 WAT1 ATOM 4483 H2 TIP3 992 -7.427 -13.009 23.637 1.00 0.00 WAT1 ATOM 4484 OH2 TIP3 993 -4.809 -11.953 22.273 1.00 0.00 WAT1 ATOM 4485 H1 TIP3 993 -4.173 -12.167 21.557 1.00 0.00 WAT1 ATOM 4486 H2 TIP3 993 -4.277 -11.456 22.923 1.00 0.00 WAT1 ATOM 4487 OH2 TIP3 994 -5.014 -12.396 25.630 1.00 0.00 WAT1 ATOM 4488 H1 TIP3 994 -4.939 -12.007 26.525 1.00 0.00 WAT1 ATOM 4489 H2 TIP3 994 -4.504 -11.778 25.061 1.00 0.00 WAT1 ATOM 4490 OH2 TIP3 995 -7.295 -20.046 19.895 1.00 0.00 WAT1 ATOM 4491 H1 TIP3 995 -6.469 -20.200 19.423 1.00 0.00 WAT1 ATOM 4492 H2 TIP3 995 -7.807 -19.447 19.293 1.00 0.00 WAT1 ATOM 4493 OH2 TIP3 996 0.662 -14.177 23.121 1.00 0.00 WAT1 ATOM 4494 H1 TIP3 996 0.376 -13.893 23.995 1.00 0.00 WAT1 ATOM 4495 H2 TIP3 996 1.379 -14.796 23.293 1.00 0.00 WAT1 ATOM 4496 OH2 TIP3 997 -8.432 -18.240 24.849 1.00 0.00 WAT1 ATOM 4497 H1 TIP3 997 -8.118 -18.641 24.006 1.00 0.00 WAT1 ATOM 4498 H2 TIP3 997 -7.635 -18.228 25.419 1.00 0.00 WAT1 ATOM 4499 OH2 TIP3 998 -6.010 -17.760 26.213 1.00 0.00 WAT1 ATOM 4500 H1 TIP3 998 -5.674 -16.899 25.857 1.00 0.00 WAT1 ATOM 4501 H2 TIP3 998 -5.211 -18.235 26.471 1.00 0.00 WAT1 ATOM 4502 OH2 TIP3 999 -12.120 -1.600 15.673 1.00 0.00 WAT1 ATOM 4503 H1 TIP3 999 -11.419 -1.504 14.993 1.00 0.00 WAT1 ATOM 4504 H2 TIP3 999 -12.044 -0.800 16.205 1.00 0.00 WAT1 ATOM 4505 OH2 TIP3 1000 -8.773 0.240 15.655 1.00 0.00 WAT1 ATOM 4506 H1 TIP3 1000 -8.591 1.037 15.113 1.00 0.00 WAT1 ATOM 4507 H2 TIP3 1000 -9.230 -0.367 15.037 1.00 0.00 WAT1 ATOM 4508 OH2 TIP3 1001 -14.959 -13.736 12.339 1.00 0.00 WAT1 ATOM 4509 H1 TIP3 1001 -15.919 -13.541 12.381 1.00 0.00 WAT1 ATOM 4510 H2 TIP3 1001 -14.907 -14.713 12.485 1.00 0.00 WAT1 ATOM 4511 OH2 TIP3 1002 -3.811 -6.224 22.088 1.00 0.00 WAT1 ATOM 4512 H1 TIP3 1002 -2.880 -6.530 22.145 1.00 0.00 WAT1 ATOM 4513 H2 TIP3 1002 -3.922 -5.652 22.878 1.00 0.00 WAT1 ATOM 4514 OH2 TIP3 1003 -6.223 -0.908 20.259 1.00 0.00 WAT1 ATOM 4515 H1 TIP3 1003 -6.661 -0.691 19.404 1.00 0.00 WAT1 ATOM 4516 H2 TIP3 1003 -6.818 -0.526 20.937 1.00 0.00 WAT1 ATOM 4517 OH2 TIP3 1004 -4.411 1.204 19.817 1.00 0.00 WAT1 ATOM 4518 H1 TIP3 1004 -4.625 1.398 18.882 1.00 0.00 WAT1 ATOM 4519 H2 TIP3 1004 -4.944 0.408 20.022 1.00 0.00 WAT1 ATOM 4520 OH2 TIP3 1005 -8.411 -17.869 14.655 1.00 0.00 WAT1 ATOM 4521 H1 TIP3 1005 -9.320 -17.539 14.847 1.00 0.00 WAT1 ATOM 4522 H2 TIP3 1005 -7.836 -17.180 15.009 1.00 0.00 WAT1 ATOM 4523 OH2 TIP3 1006 -9.070 -15.780 23.885 1.00 0.00 WAT1 ATOM 4524 H1 TIP3 1006 -8.673 -16.574 24.304 1.00 0.00 WAT1 ATOM 4525 H2 TIP3 1006 -8.426 -15.067 24.061 1.00 0.00 WAT1 ATOM 4526 OH2 TIP3 1007 -5.566 -11.955 30.604 1.00 0.00 WAT1 ATOM 4527 H1 TIP3 1007 -6.357 -11.869 31.180 1.00 0.00 WAT1 ATOM 4528 H2 TIP3 1007 -5.040 -12.639 31.027 1.00 0.00 WAT1 ATOM 4529 OH2 TIP3 1008 -7.773 -11.843 32.245 1.00 0.00 WAT1 ATOM 4530 H1 TIP3 1008 -8.430 -12.581 32.243 1.00 0.00 WAT1 ATOM 4531 H2 TIP3 1008 -7.676 -11.615 33.196 1.00 0.00 WAT1 ATOM 4532 OH2 TIP3 1009 -9.851 -6.873 28.139 1.00 0.00 WAT1 ATOM 4533 H1 TIP3 1009 -10.179 -6.790 27.214 1.00 0.00 WAT1 ATOM 4534 H2 TIP3 1009 -9.798 -5.949 28.453 1.00 0.00 WAT1 ATOM 4535 OH2 TIP3 1010 -6.956 -8.465 30.794 1.00 0.00 WAT1 ATOM 4536 H1 TIP3 1010 -7.715 -9.042 30.570 1.00 0.00 WAT1 ATOM 4537 H2 TIP3 1010 -6.648 -8.800 31.643 1.00 0.00 WAT1 ATOM 4538 OH2 TIP3 1011 -12.458 -6.336 30.584 1.00 0.00 WAT1 ATOM 4539 H1 TIP3 1011 -12.663 -6.128 31.505 1.00 0.00 WAT1 ATOM 4540 H2 TIP3 1011 -11.518 -6.562 30.593 1.00 0.00 WAT1 ATOM 4541 OH2 TIP3 1012 -5.216 -15.341 25.241 1.00 0.00 WAT1 ATOM 4542 H1 TIP3 1012 -5.830 -14.978 24.585 1.00 0.00 WAT1 ATOM 4543 H2 TIP3 1012 -4.738 -14.562 25.569 1.00 0.00 WAT1 ATOM 4544 OH2 TIP3 1013 -9.316 -16.699 34.362 1.00 0.00 WAT1 ATOM 4545 H1 TIP3 1013 -9.156 -16.601 33.400 1.00 0.00 WAT1 ATOM 4546 H2 TIP3 1013 -8.558 -16.273 34.772 1.00 0.00 WAT1 ATOM 4547 OH2 TIP3 1014 -7.480 -11.268 34.920 1.00 0.00 WAT1 ATOM 4548 H1 TIP3 1014 -6.731 -10.849 35.358 1.00 0.00 WAT1 ATOM 4549 H2 TIP3 1014 -8.115 -11.422 35.628 1.00 0.00 WAT1 ATOM 4550 OH2 TIP3 1015 -7.769 -11.468 27.765 1.00 0.00 WAT1 ATOM 4551 H1 TIP3 1015 -6.791 -11.483 27.850 1.00 0.00 WAT1 ATOM 4552 H2 TIP3 1015 -7.957 -10.597 27.371 1.00 0.00 WAT1 ATOM 4553 OH2 TIP3 1016 -5.762 -4.186 29.293 1.00 0.00 WAT1 ATOM 4554 H1 TIP3 1016 -5.990 -4.998 29.765 1.00 0.00 WAT1 ATOM 4555 H2 TIP3 1016 -6.431 -3.534 29.599 1.00 0.00 WAT1 ATOM 4556 OH2 TIP3 1017 -7.229 -5.389 23.308 1.00 0.00 WAT1 ATOM 4557 H1 TIP3 1017 -8.145 -5.683 23.131 1.00 0.00 WAT1 ATOM 4558 H2 TIP3 1017 -6.895 -6.033 23.966 1.00 0.00 WAT1 ATOM 4559 OH2 TIP3 1018 -6.239 -7.029 25.298 1.00 0.00 WAT1 ATOM 4560 H1 TIP3 1018 -6.672 -7.598 25.955 1.00 0.00 WAT1 ATOM 4561 H2 TIP3 1018 -5.948 -6.244 25.814 1.00 0.00 WAT1 ATOM 4562 OH2 TIP3 1019 -7.897 -8.621 27.081 1.00 0.00 WAT1 ATOM 4563 H1 TIP3 1019 -8.313 -8.659 26.186 1.00 0.00 WAT1 ATOM 4564 H2 TIP3 1019 -8.506 -8.056 27.602 1.00 0.00 WAT1 ATOM 4565 OH2 TIP3 1020 -3.042 -4.135 28.691 1.00 0.00 WAT1 ATOM 4566 H1 TIP3 1020 -3.995 -4.114 28.913 1.00 0.00 WAT1 ATOM 4567 H2 TIP3 1020 -2.628 -3.607 29.379 1.00 0.00 WAT1 ATOM 4568 OH2 TIP3 1021 -5.695 -4.637 26.532 1.00 0.00 WAT1 ATOM 4569 H1 TIP3 1021 -6.214 -3.865 26.225 1.00 0.00 WAT1 ATOM 4570 H2 TIP3 1021 -5.594 -4.488 27.494 1.00 0.00 WAT1 ATOM 4571 OH2 TIP3 1022 -7.824 -14.180 27.081 1.00 0.00 WAT1 ATOM 4572 H1 TIP3 1022 -7.803 -13.288 27.480 1.00 0.00 WAT1 ATOM 4573 H2 TIP3 1022 -7.568 -14.029 26.149 1.00 0.00 WAT1 ATOM 4574 OH2 TIP3 1023 -10.455 -6.408 25.525 1.00 0.00 WAT1 ATOM 4575 H1 TIP3 1023 -9.902 -5.598 25.408 1.00 0.00 WAT1 ATOM 4576 H2 TIP3 1023 -10.004 -7.084 24.977 1.00 0.00 WAT1 ATOM 4577 OH2 TIP3 1024 -10.259 -4.088 28.530 1.00 0.00 WAT1 ATOM 4578 H1 TIP3 1024 -10.681 -3.549 29.237 1.00 0.00 WAT1 ATOM 4579 H2 TIP3 1024 -10.966 -4.190 27.855 1.00 0.00 WAT1 ATOM 4580 OH2 TIP3 1025 -2.145 -5.625 26.564 1.00 0.00 WAT1 ATOM 4581 H1 TIP3 1025 -2.512 -6.490 26.853 1.00 0.00 WAT1 ATOM 4582 H2 TIP3 1025 -2.361 -5.015 27.309 1.00 0.00 WAT1 ATOM 4583 OH2 TIP3 1026 -8.957 -8.529 24.600 1.00 0.00 WAT1 ATOM 4584 H1 TIP3 1026 -8.377 -8.692 23.824 1.00 0.00 WAT1 ATOM 4585 H2 TIP3 1026 -9.783 -9.016 24.384 1.00 0.00 WAT1 ATOM 4586 OH2 TIP3 1027 -3.119 -8.138 27.146 1.00 0.00 WAT1 ATOM 4587 H1 TIP3 1027 -4.034 -8.067 27.502 1.00 0.00 WAT1 ATOM 4588 H2 TIP3 1027 -2.769 -8.938 27.558 1.00 0.00 WAT1 ATOM 4589 OH2 TIP3 1028 -5.558 -8.352 28.441 1.00 0.00 WAT1 ATOM 4590 H1 TIP3 1028 -6.377 -8.441 27.906 1.00 0.00 WAT1 ATOM 4591 H2 TIP3 1028 -5.886 -8.271 29.365 1.00 0.00 WAT1 ATOM 4592 OH2 TIP3 1029 -5.084 -11.080 28.083 1.00 0.00 WAT1 ATOM 4593 H1 TIP3 1029 -5.063 -10.111 28.210 1.00 0.00 WAT1 ATOM 4594 H2 TIP3 1029 -5.099 -11.441 29.002 1.00 0.00 WAT1 ATOM 4595 OH2 TIP3 1030 -7.004 -2.423 25.483 1.00 0.00 WAT1 ATOM 4596 H1 TIP3 1030 -6.536 -2.389 24.620 1.00 0.00 WAT1 ATOM 4597 H2 TIP3 1030 -6.756 -1.578 25.925 1.00 0.00 WAT1 ATOM 4598 OH2 TIP3 1031 -12.241 -4.653 26.550 1.00 0.00 WAT1 ATOM 4599 H1 TIP3 1031 -11.690 -5.339 26.109 1.00 0.00 WAT1 ATOM 4600 H2 TIP3 1031 -12.674 -4.181 25.806 1.00 0.00 WAT1 ATOM 4601 OH2 TIP3 1032 -9.261 -2.498 32.531 1.00 0.00 WAT1 ATOM 4602 H1 TIP3 1032 -9.015 -2.599 33.459 1.00 0.00 WAT1 ATOM 4603 H2 TIP3 1032 -9.545 -1.553 32.458 1.00 0.00 WAT1 ATOM 4604 OH2 TIP3 1033 -8.890 -16.413 31.637 1.00 0.00 WAT1 ATOM 4605 H1 TIP3 1033 -9.561 -17.052 31.299 1.00 0.00 WAT1 ATOM 4606 H2 TIP3 1033 -8.135 -16.534 31.048 1.00 0.00 WAT1 ATOM 4607 OH2 TIP3 1034 -11.049 -17.786 25.566 1.00 0.00 WAT1 ATOM 4608 H1 TIP3 1034 -10.962 -18.146 26.474 1.00 0.00 WAT1 ATOM 4609 H2 TIP3 1034 -10.185 -18.001 25.146 1.00 0.00 WAT1 ATOM 4610 OH2 TIP3 1035 -9.101 -4.106 25.891 1.00 0.00 WAT1 ATOM 4611 H1 TIP3 1035 -9.249 -3.976 26.840 1.00 0.00 WAT1 ATOM 4612 H2 TIP3 1035 -8.375 -3.482 25.672 1.00 0.00 WAT1 ATOM 4613 OH2 TIP3 1036 -8.112 -16.842 27.729 1.00 0.00 WAT1 ATOM 4614 H1 TIP3 1036 -7.327 -17.231 27.292 1.00 0.00 WAT1 ATOM 4615 H2 TIP3 1036 -7.998 -15.874 27.602 1.00 0.00 WAT1 ATOM 4616 OH2 TIP3 1037 -3.850 -4.844 24.477 1.00 0.00 WAT1 ATOM 4617 H1 TIP3 1037 -4.564 -4.770 25.144 1.00 0.00 WAT1 ATOM 4618 H2 TIP3 1037 -3.056 -5.046 25.008 1.00 0.00 WAT1 ATOM 4619 OH2 TIP3 1038 -11.114 21.538 -13.659 1.00 0.00 WAT1 ATOM 4620 H1 TIP3 1038 -10.779 21.149 -14.489 1.00 0.00 WAT1 ATOM 4621 H2 TIP3 1038 -10.464 21.260 -12.982 1.00 0.00 WAT1 ATOM 4622 OH2 TIP3 1039 -6.454 13.899 0.590 1.00 0.00 WAT1 ATOM 4623 H1 TIP3 1039 -6.418 13.922 1.576 1.00 0.00 WAT1 ATOM 4624 H2 TIP3 1039 -6.292 12.972 0.372 1.00 0.00 WAT1 ATOM 4625 OH2 TIP3 1040 -9.880 14.620 2.439 1.00 0.00 WAT1 ATOM 4626 H1 TIP3 1040 -10.707 15.047 2.738 1.00 0.00 WAT1 ATOM 4627 H2 TIP3 1040 -10.079 13.665 2.491 1.00 0.00 WAT1 ATOM 4628 OH2 TIP3 1041 -11.907 16.502 -8.050 1.00 0.00 WAT1 ATOM 4629 H1 TIP3 1041 -11.058 16.960 -8.138 1.00 0.00 WAT1 ATOM 4630 H2 TIP3 1041 -11.981 16.327 -7.095 1.00 0.00 WAT1 ATOM 4631 OH2 TIP3 1042 -8.298 17.882 5.404 1.00 0.00 WAT1 ATOM 4632 H1 TIP3 1042 -8.851 18.610 5.071 1.00 0.00 WAT1 ATOM 4633 H2 TIP3 1042 -8.101 17.344 4.607 1.00 0.00 WAT1 ATOM 4634 OH2 TIP3 1043 -11.080 12.167 2.880 1.00 0.00 WAT1 ATOM 4635 H1 TIP3 1043 -11.984 11.942 3.184 1.00 0.00 WAT1 ATOM 4636 H2 TIP3 1043 -10.496 11.663 3.487 1.00 0.00 WAT1 ATOM 4637 OH2 TIP3 1044 -6.332 13.853 3.333 1.00 0.00 WAT1 ATOM 4638 H1 TIP3 1044 -6.926 14.596 3.566 1.00 0.00 WAT1 ATOM 4639 H2 TIP3 1044 -6.657 13.104 3.880 1.00 0.00 WAT1 ATOM 4640 OH2 TIP3 1045 -8.646 14.672 -3.918 1.00 0.00 WAT1 ATOM 4641 H1 TIP3 1045 -8.306 14.740 -3.003 1.00 0.00 WAT1 ATOM 4642 H2 TIP3 1045 -8.011 15.202 -4.452 1.00 0.00 WAT1 ATOM 4643 OH2 TIP3 1046 -7.372 11.863 4.970 1.00 0.00 WAT1 ATOM 4644 H1 TIP3 1046 -7.117 11.197 5.634 1.00 0.00 WAT1 ATOM 4645 H2 TIP3 1046 -8.256 11.564 4.665 1.00 0.00 WAT1 ATOM 4646 OH2 TIP3 1047 3.185 23.945 6.339 1.00 0.00 WAT1 ATOM 4647 H1 TIP3 1047 3.926 24.243 5.776 1.00 0.00 WAT1 ATOM 4648 H2 TIP3 1047 2.876 24.767 6.786 1.00 0.00 WAT1 ATOM 4649 OH2 TIP3 1048 -12.301 12.960 0.554 1.00 0.00 WAT1 ATOM 4650 H1 TIP3 1048 -11.763 12.664 1.316 1.00 0.00 WAT1 ATOM 4651 H2 TIP3 1048 -12.208 13.923 0.559 1.00 0.00 WAT1 ATOM 4652 OH2 TIP3 1049 -11.626 8.556 4.147 1.00 0.00 WAT1 ATOM 4653 H1 TIP3 1049 -11.861 7.859 3.501 1.00 0.00 WAT1 ATOM 4654 H2 TIP3 1049 -12.077 9.347 3.813 1.00 0.00 WAT1 ATOM 4655 OH2 TIP3 1050 -7.866 16.193 3.283 1.00 0.00 WAT1 ATOM 4656 H1 TIP3 1050 -7.643 16.697 2.491 1.00 0.00 WAT1 ATOM 4657 H2 TIP3 1050 -8.623 15.621 3.001 1.00 0.00 WAT1 ATOM 4658 OH2 TIP3 1051 -5.027 16.094 -0.445 1.00 0.00 WAT1 ATOM 4659 H1 TIP3 1051 -4.458 16.512 0.227 1.00 0.00 WAT1 ATOM 4660 H2 TIP3 1051 -5.457 15.354 0.029 1.00 0.00 WAT1 ATOM 4661 OH2 TIP3 1052 -4.440 15.401 4.819 1.00 0.00 WAT1 ATOM 4662 H1 TIP3 1052 -3.995 15.971 4.151 1.00 0.00 WAT1 ATOM 4663 H2 TIP3 1052 -4.902 14.727 4.285 1.00 0.00 WAT1 ATOM 4664 OH2 TIP3 1053 -12.566 16.007 0.691 1.00 0.00 WAT1 ATOM 4665 H1 TIP3 1053 -12.495 16.971 0.669 1.00 0.00 WAT1 ATOM 4666 H2 TIP3 1053 -12.536 15.784 1.647 1.00 0.00 WAT1 ATOM 4667 OH2 TIP3 1054 -10.807 13.846 -5.358 1.00 0.00 WAT1 ATOM 4668 H1 TIP3 1054 -10.002 14.011 -4.817 1.00 0.00 WAT1 ATOM 4669 H2 TIP3 1054 -10.604 13.043 -5.845 1.00 0.00 WAT1 ATOM 4670 OH2 TIP3 1055 -9.989 15.581 5.796 1.00 0.00 WAT1 ATOM 4671 H1 TIP3 1055 -9.658 16.494 5.747 1.00 0.00 WAT1 ATOM 4672 H2 TIP3 1055 -9.202 15.058 6.066 1.00 0.00 WAT1 ATOM 4673 OH2 TIP3 1056 -3.484 16.017 7.429 1.00 0.00 WAT1 ATOM 4674 H1 TIP3 1056 -3.423 15.506 6.598 1.00 0.00 WAT1 ATOM 4675 H2 TIP3 1056 -4.363 16.453 7.368 1.00 0.00 WAT1 ATOM 4676 OH2 TIP3 1057 -9.855 10.732 4.796 1.00 0.00 WAT1 ATOM 4677 H1 TIP3 1057 -10.146 10.954 5.697 1.00 0.00 WAT1 ATOM 4678 H2 TIP3 1057 -10.069 9.780 4.703 1.00 0.00 WAT1 ATOM 4679 OH2 TIP3 1058 -12.166 16.215 -5.244 1.00 0.00 WAT1 ATOM 4680 H1 TIP3 1058 -11.798 15.298 -5.313 1.00 0.00 WAT1 ATOM 4681 H2 TIP3 1058 -11.520 16.685 -4.671 1.00 0.00 WAT1 ATOM 4682 OH2 TIP3 1059 -14.526 15.183 -1.037 1.00 0.00 WAT1 ATOM 4683 H1 TIP3 1059 -13.749 15.440 -0.490 1.00 0.00 WAT1 ATOM 4684 H2 TIP3 1059 -14.267 15.432 -1.955 1.00 0.00 WAT1 ATOM 4685 OH2 TIP3 1060 -14.514 11.367 0.141 1.00 0.00 WAT1 ATOM 4686 H1 TIP3 1060 -13.643 11.825 0.133 1.00 0.00 WAT1 ATOM 4687 H2 TIP3 1060 -15.137 12.053 0.454 1.00 0.00 WAT1 ATOM 4688 OH2 TIP3 1061 -7.721 10.137 7.215 1.00 0.00 WAT1 ATOM 4689 H1 TIP3 1061 -7.608 9.788 8.128 1.00 0.00 WAT1 ATOM 4690 H2 TIP3 1061 -8.150 9.393 6.726 1.00 0.00 WAT1 ATOM 4691 OH2 TIP3 1062 -8.107 15.202 -1.206 1.00 0.00 WAT1 ATOM 4692 H1 TIP3 1062 -7.429 14.772 -0.642 1.00 0.00 WAT1 ATOM 4693 H2 TIP3 1062 -8.934 15.060 -0.728 1.00 0.00 WAT1 ATOM 4694 OH2 TIP3 1063 -3.368 17.148 3.053 1.00 0.00 WAT1 ATOM 4695 H1 TIP3 1063 -2.937 17.114 2.173 1.00 0.00 WAT1 ATOM 4696 H2 TIP3 1063 -3.991 17.911 2.981 1.00 0.00 WAT1 ATOM 4697 OH2 TIP3 1064 -2.537 18.493 5.303 1.00 0.00 WAT1 ATOM 4698 H1 TIP3 1064 -1.567 18.379 5.365 1.00 0.00 WAT1 ATOM 4699 H2 TIP3 1064 -2.788 17.979 4.506 1.00 0.00 WAT1 ATOM 4700 OH2 TIP3 1065 -1.109 19.806 0.659 1.00 0.00 WAT1 ATOM 4701 H1 TIP3 1065 -0.784 20.130 -0.206 1.00 0.00 WAT1 ATOM 4702 H2 TIP3 1065 -0.767 20.459 1.300 1.00 0.00 WAT1 ATOM 4703 OH2 TIP3 1066 -2.666 17.592 0.445 1.00 0.00 WAT1 ATOM 4704 H1 TIP3 1066 -2.160 18.423 0.627 1.00 0.00 WAT1 ATOM 4705 H2 TIP3 1066 -2.348 17.310 -0.421 1.00 0.00 WAT1 ATOM 4706 OH2 TIP3 1067 -7.552 17.644 -2.556 1.00 0.00 WAT1 ATOM 4707 H1 TIP3 1067 -6.697 18.099 -2.383 1.00 0.00 WAT1 ATOM 4708 H2 TIP3 1067 -7.565 16.902 -1.918 1.00 0.00 WAT1 ATOM 4709 OH2 TIP3 1068 -5.161 19.057 -2.417 1.00 0.00 WAT1 ATOM 4710 H1 TIP3 1068 -4.409 18.432 -2.345 1.00 0.00 WAT1 ATOM 4711 H2 TIP3 1068 -4.951 19.764 -1.777 1.00 0.00 WAT1 ATOM 4712 OH2 TIP3 1069 -16.049 18.196 -3.974 1.00 0.00 WAT1 ATOM 4713 H1 TIP3 1069 -16.818 17.762 -4.402 1.00 0.00 WAT1 ATOM 4714 H2 TIP3 1069 -16.368 19.092 -3.766 1.00 0.00 WAT1 ATOM 4715 OH2 TIP3 1070 -10.047 17.084 -3.725 1.00 0.00 WAT1 ATOM 4716 H1 TIP3 1070 -9.759 16.149 -3.724 1.00 0.00 WAT1 ATOM 4717 H2 TIP3 1070 -9.303 17.560 -3.303 1.00 0.00 WAT1 ATOM 4718 OH2 TIP3 1071 -7.672 3.470 16.884 1.00 0.00 WAT1 ATOM 4719 H1 TIP3 1071 -7.553 4.229 16.273 1.00 0.00 WAT1 ATOM 4720 H2 TIP3 1071 -8.145 2.814 16.351 1.00 0.00 WAT1 ATOM 4721 OH2 TIP3 1072 -7.284 11.674 17.112 1.00 0.00 WAT1 ATOM 4722 H1 TIP3 1072 -7.324 11.375 16.177 1.00 0.00 WAT1 ATOM 4723 H2 TIP3 1072 -6.679 11.041 17.541 1.00 0.00 WAT1 ATOM 4724 OH2 TIP3 1073 -9.176 11.207 19.109 1.00 0.00 WAT1 ATOM 4725 H1 TIP3 1073 -8.594 11.445 18.357 1.00 0.00 WAT1 ATOM 4726 H2 TIP3 1073 -9.226 12.020 19.635 1.00 0.00 WAT1 ATOM 4727 OH2 TIP3 1074 -9.443 13.157 21.558 1.00 0.00 WAT1 ATOM 4728 H1 TIP3 1074 -9.507 13.862 22.234 1.00 0.00 WAT1 ATOM 4729 H2 TIP3 1074 -10.143 12.521 21.811 1.00 0.00 WAT1 ATOM 4730 OH2 TIP3 1075 -7.275 -0.465 17.803 1.00 0.00 WAT1 ATOM 4731 H1 TIP3 1075 -6.956 -1.346 17.496 1.00 0.00 WAT1 ATOM 4732 H2 TIP3 1075 -7.916 -0.188 17.106 1.00 0.00 WAT1 ATOM 4733 OH2 TIP3 1076 -4.294 13.277 18.816 1.00 0.00 WAT1 ATOM 4734 H1 TIP3 1076 -4.534 13.544 17.906 1.00 0.00 WAT1 ATOM 4735 H2 TIP3 1076 -4.595 12.357 18.879 1.00 0.00 WAT1 ATOM 4736 OH2 TIP3 1077 -4.434 15.145 20.796 1.00 0.00 WAT1 ATOM 4737 H1 TIP3 1077 -3.577 15.575 20.880 1.00 0.00 WAT1 ATOM 4738 H2 TIP3 1077 -4.284 14.436 20.123 1.00 0.00 WAT1 ATOM 4739 OH2 TIP3 1078 -5.599 10.634 19.206 1.00 0.00 WAT1 ATOM 4740 H1 TIP3 1078 -5.091 10.227 19.919 1.00 0.00 WAT1 ATOM 4741 H2 TIP3 1078 -6.192 11.275 19.669 1.00 0.00 WAT1 ATOM 4742 OH2 TIP3 1079 -6.112 12.039 23.171 1.00 0.00 WAT1 ATOM 4743 H1 TIP3 1079 -6.024 12.995 23.371 1.00 0.00 WAT1 ATOM 4744 H2 TIP3 1079 -6.389 12.022 22.237 1.00 0.00 WAT1 ATOM 4745 OH2 TIP3 1080 -6.115 14.768 23.029 1.00 0.00 WAT1 ATOM 4746 H1 TIP3 1080 -5.453 14.925 22.329 1.00 0.00 WAT1 ATOM 4747 H2 TIP3 1080 -6.841 15.376 22.809 1.00 0.00 WAT1 ATOM 4748 OH2 TIP3 1081 -7.250 11.317 14.377 1.00 0.00 WAT1 ATOM 4749 H1 TIP3 1081 -7.879 11.841 13.868 1.00 0.00 WAT1 ATOM 4750 H2 TIP3 1081 -6.373 11.711 14.152 1.00 0.00 WAT1 ATOM 4751 OH2 TIP3 1082 -1.472 19.525 13.052 1.00 0.00 WAT1 ATOM 4752 H1 TIP3 1082 -1.523 19.512 12.067 1.00 0.00 WAT1 ATOM 4753 H2 TIP3 1082 -1.493 18.595 13.302 1.00 0.00 WAT1 ATOM 4754 OH2 TIP3 1083 -8.027 16.420 14.534 1.00 0.00 WAT1 ATOM 4755 H1 TIP3 1083 -7.623 16.076 15.363 1.00 0.00 WAT1 ATOM 4756 H2 TIP3 1083 -8.309 17.316 14.769 1.00 0.00 WAT1 ATOM 4757 OH2 TIP3 1084 0.699 20.459 9.559 1.00 0.00 WAT1 ATOM 4758 H1 TIP3 1084 -0.112 20.066 9.938 1.00 0.00 WAT1 ATOM 4759 H2 TIP3 1084 0.828 21.282 10.076 1.00 0.00 WAT1 ATOM 4760 OH2 TIP3 1085 0.389 21.513 13.537 1.00 0.00 WAT1 ATOM 4761 H1 TIP3 1085 -0.287 20.815 13.399 1.00 0.00 WAT1 ATOM 4762 H2 TIP3 1085 0.496 21.552 14.491 1.00 0.00 WAT1 ATOM 4763 OH2 TIP3 1086 -9.374 9.386 24.324 1.00 0.00 WAT1 ATOM 4764 H1 TIP3 1086 -8.590 9.918 24.562 1.00 0.00 WAT1 ATOM 4765 H2 TIP3 1086 -9.522 9.593 23.381 1.00 0.00 WAT1 ATOM 4766 OH2 TIP3 1087 -7.596 2.665 21.370 1.00 0.00 WAT1 ATOM 4767 H1 TIP3 1087 -7.909 3.245 20.642 1.00 0.00 WAT1 ATOM 4768 H2 TIP3 1087 -7.493 3.270 22.132 1.00 0.00 WAT1 ATOM 4769 OH2 TIP3 1088 -5.723 0.727 23.610 1.00 0.00 WAT1 ATOM 4770 H1 TIP3 1088 -4.872 0.706 23.128 1.00 0.00 WAT1 ATOM 4771 H2 TIP3 1088 -5.482 1.026 24.501 1.00 0.00 WAT1 ATOM 4772 OH2 TIP3 1089 -8.349 4.381 19.413 1.00 0.00 WAT1 ATOM 4773 H1 TIP3 1089 -8.204 3.967 18.532 1.00 0.00 WAT1 ATOM 4774 H2 TIP3 1089 -7.834 5.212 19.369 1.00 0.00 WAT1 ATOM 4775 OH2 TIP3 1090 -8.254 8.777 14.296 1.00 0.00 WAT1 ATOM 4776 H1 TIP3 1090 -7.864 9.668 14.413 1.00 0.00 WAT1 ATOM 4777 H2 TIP3 1090 -7.549 8.168 14.598 1.00 0.00 WAT1 ATOM 4778 OH2 TIP3 1091 -4.571 4.330 24.539 1.00 0.00 WAT1 ATOM 4779 H1 TIP3 1091 -4.792 4.563 25.462 1.00 0.00 WAT1 ATOM 4780 H2 TIP3 1091 -3.982 3.537 24.626 1.00 0.00 WAT1 ATOM 4781 OH2 TIP3 1092 -13.404 3.668 9.701 1.00 0.00 WAT1 ATOM 4782 H1 TIP3 1092 -13.459 2.957 9.052 1.00 0.00 WAT1 ATOM 4783 H2 TIP3 1092 -13.140 4.452 9.172 1.00 0.00 WAT1 ATOM 4784 OH2 TIP3 1093 -5.207 3.929 20.414 1.00 0.00 WAT1 ATOM 4785 H1 TIP3 1093 -5.940 3.361 20.713 1.00 0.00 WAT1 ATOM 4786 H2 TIP3 1093 -4.565 3.301 20.039 1.00 0.00 WAT1 ATOM 4787 OH2 TIP3 1094 -6.017 7.338 14.993 1.00 0.00 WAT1 ATOM 4788 H1 TIP3 1094 -5.188 7.597 14.577 1.00 0.00 WAT1 ATOM 4789 H2 TIP3 1094 -5.927 7.654 15.925 1.00 0.00 WAT1 ATOM 4790 OH2 TIP3 1095 -7.585 5.101 14.639 1.00 0.00 WAT1 ATOM 4791 H1 TIP3 1095 -6.954 5.850 14.715 1.00 0.00 WAT1 ATOM 4792 H2 TIP3 1095 -8.272 5.431 14.013 1.00 0.00 WAT1 ATOM 4793 OH2 TIP3 1096 -5.780 8.301 17.545 1.00 0.00 WAT1 ATOM 4794 H1 TIP3 1096 -6.065 7.619 18.189 1.00 0.00 WAT1 ATOM 4795 H2 TIP3 1096 -5.617 9.089 18.093 1.00 0.00 WAT1 ATOM 4796 OH2 TIP3 1097 -5.748 7.617 24.014 1.00 0.00 WAT1 ATOM 4797 H1 TIP3 1097 -5.341 7.184 23.232 1.00 0.00 WAT1 ATOM 4798 H2 TIP3 1097 -5.076 7.498 24.730 1.00 0.00 WAT1 ATOM 4799 OH2 TIP3 1098 -5.102 12.897 13.877 1.00 0.00 WAT1 ATOM 4800 H1 TIP3 1098 -4.714 13.595 13.344 1.00 0.00 WAT1 ATOM 4801 H2 TIP3 1098 -5.110 13.265 14.788 1.00 0.00 WAT1 ATOM 4802 OH2 TIP3 1099 -9.147 8.154 6.076 1.00 0.00 WAT1 ATOM 4803 H1 TIP3 1099 -9.951 8.063 6.627 1.00 0.00 WAT1 ATOM 4804 H2 TIP3 1099 -9.194 7.410 5.465 1.00 0.00 WAT1 ATOM 4805 OH2 TIP3 1100 -7.561 9.440 9.857 1.00 0.00 WAT1 ATOM 4806 H1 TIP3 1100 -7.953 8.773 10.453 1.00 0.00 WAT1 ATOM 4807 H2 TIP3 1100 -7.987 10.283 10.131 1.00 0.00 WAT1 ATOM 4808 OH2 TIP3 1101 -6.165 16.997 12.588 1.00 0.00 WAT1 ATOM 4809 H1 TIP3 1101 -6.241 16.327 11.882 1.00 0.00 WAT1 ATOM 4810 H2 TIP3 1101 -6.817 16.710 13.262 1.00 0.00 WAT1 ATOM 4811 OH2 TIP3 1102 -7.884 14.023 6.618 1.00 0.00 WAT1 ATOM 4812 H1 TIP3 1102 -7.405 13.390 6.047 1.00 0.00 WAT1 ATOM 4813 H2 TIP3 1102 -7.445 13.937 7.496 1.00 0.00 WAT1 ATOM 4814 OH2 TIP3 1103 -6.894 13.425 9.103 1.00 0.00 WAT1 ATOM 4815 H1 TIP3 1103 -6.179 12.753 9.153 1.00 0.00 WAT1 ATOM 4816 H2 TIP3 1103 -6.524 14.207 9.574 1.00 0.00 WAT1 ATOM 4817 OH2 TIP3 1104 -9.322 8.488 11.863 1.00 0.00 WAT1 ATOM 4818 H1 TIP3 1104 -8.908 8.552 12.761 1.00 0.00 WAT1 ATOM 4819 H2 TIP3 1104 -9.817 9.309 11.775 1.00 0.00 WAT1 ATOM 4820 OH2 TIP3 1105 -5.462 11.069 8.959 1.00 0.00 WAT1 ATOM 4821 H1 TIP3 1105 -5.561 10.803 8.038 1.00 0.00 WAT1 ATOM 4822 H2 TIP3 1105 -5.919 10.369 9.460 1.00 0.00 WAT1 ATOM 4823 OH2 TIP3 1106 -4.656 5.879 22.238 1.00 0.00 WAT1 ATOM 4824 H1 TIP3 1106 -4.343 5.386 23.028 1.00 0.00 WAT1 ATOM 4825 H2 TIP3 1106 -4.601 5.225 21.511 1.00 0.00 WAT1 ATOM 4826 OH2 TIP3 1107 -5.917 15.729 10.138 1.00 0.00 WAT1 ATOM 4827 H1 TIP3 1107 -4.947 15.835 10.234 1.00 0.00 WAT1 ATOM 4828 H2 TIP3 1107 -6.179 16.458 9.555 1.00 0.00 WAT1 ATOM 4829 OH2 TIP3 1108 -8.880 11.809 10.087 1.00 0.00 WAT1 ATOM 4830 H1 TIP3 1108 -8.176 12.477 9.944 1.00 0.00 WAT1 ATOM 4831 H2 TIP3 1108 -9.475 11.929 9.328 1.00 0.00 WAT1 ATOM 4832 OH2 TIP3 1109 -10.775 15.386 27.263 1.00 0.00 WAT1 ATOM 4833 H1 TIP3 1109 -11.313 15.518 26.453 1.00 0.00 WAT1 ATOM 4834 H2 TIP3 1109 -10.847 16.221 27.733 1.00 0.00 WAT1 ATOM 4835 OH2 TIP3 1110 -3.195 16.095 10.140 1.00 0.00 WAT1 ATOM 4836 H1 TIP3 1110 -3.204 15.926 9.169 1.00 0.00 WAT1 ATOM 4837 H2 TIP3 1110 -2.313 15.822 10.418 1.00 0.00 WAT1 ATOM 4838 OH2 TIP3 1111 -6.689 10.020 24.827 1.00 0.00 WAT1 ATOM 4839 H1 TIP3 1111 -6.451 10.737 24.184 1.00 0.00 WAT1 ATOM 4840 H2 TIP3 1111 -6.270 9.211 24.448 1.00 0.00 WAT1 ATOM 4841 OH2 TIP3 1112 -8.037 7.364 21.700 1.00 0.00 WAT1 ATOM 4842 H1 TIP3 1112 -7.992 8.335 21.817 1.00 0.00 WAT1 ATOM 4843 H2 TIP3 1112 -8.905 7.225 21.265 1.00 0.00 WAT1 ATOM 4844 OH2 TIP3 1113 -6.965 4.633 23.259 1.00 0.00 WAT1 ATOM 4845 H1 TIP3 1113 -6.183 4.365 23.791 1.00 0.00 WAT1 ATOM 4846 H2 TIP3 1113 -6.612 5.307 22.652 1.00 0.00 WAT1 ATOM 4847 OH2 TIP3 1114 -6.493 6.471 19.554 1.00 0.00 WAT1 ATOM 4848 H1 TIP3 1114 -5.873 5.771 19.836 1.00 0.00 WAT1 ATOM 4849 H2 TIP3 1114 -6.865 6.815 20.393 1.00 0.00 WAT1 ATOM 4850 OH2 TIP3 1115 -8.995 9.930 21.606 1.00 0.00 WAT1 ATOM 4851 H1 TIP3 1115 -9.853 10.376 21.802 1.00 0.00 WAT1 ATOM 4852 H2 TIP3 1115 -8.839 10.131 20.664 1.00 0.00 WAT1 ATOM 4853 OH2 TIP3 1116 -7.919 0.055 22.171 1.00 0.00 WAT1 ATOM 4854 H1 TIP3 1116 -8.009 0.954 21.783 1.00 0.00 WAT1 ATOM 4855 H2 TIP3 1116 -7.176 0.151 22.813 1.00 0.00 WAT1 ATOM 4856 OH2 TIP3 1117 -3.239 2.000 24.767 1.00 0.00 WAT1 ATOM 4857 H1 TIP3 1117 -3.160 1.258 25.407 1.00 0.00 WAT1 ATOM 4858 H2 TIP3 1117 -3.049 1.590 23.900 1.00 0.00 WAT1 ATOM 4859 OH2 TIP3 1118 -5.731 -3.149 23.145 1.00 0.00 WAT1 ATOM 4860 H1 TIP3 1118 -6.301 -3.953 23.203 1.00 0.00 WAT1 ATOM 4861 H2 TIP3 1118 -4.853 -3.461 23.427 1.00 0.00 WAT1 ATOM 4862 OH2 TIP3 1119 -3.238 0.797 22.257 1.00 0.00 WAT1 ATOM 4863 H1 TIP3 1119 -2.634 0.084 22.021 1.00 0.00 WAT1 ATOM 4864 H2 TIP3 1119 -3.587 1.111 21.391 1.00 0.00 WAT1 ATOM 4865 OH2 TIP3 1120 -5.743 17.223 6.528 1.00 0.00 WAT1 ATOM 4866 H1 TIP3 1120 -5.436 16.619 5.819 1.00 0.00 WAT1 ATOM 4867 H2 TIP3 1120 -6.680 17.397 6.303 1.00 0.00 WAT1 ATOM 4868 OH2 TIP3 1121 -12.585 10.652 6.835 1.00 0.00 WAT1 ATOM 4869 H1 TIP3 1121 -12.533 11.623 6.827 1.00 0.00 WAT1 ATOM 4870 H2 TIP3 1121 -13.288 10.453 7.494 1.00 0.00 WAT1 ATOM 4871 OH2 TIP3 1122 -14.126 2.145 11.967 1.00 0.00 WAT1 ATOM 4872 H1 TIP3 1122 -14.410 2.841 12.594 1.00 0.00 WAT1 ATOM 4873 H2 TIP3 1122 -13.848 2.638 11.173 1.00 0.00 WAT1 ATOM 4874 OH2 TIP3 1123 -9.804 14.895 23.766 1.00 0.00 WAT1 ATOM 4875 H1 TIP3 1123 -9.547 14.259 24.459 1.00 0.00 WAT1 ATOM 4876 H2 TIP3 1123 -10.619 15.314 24.118 1.00 0.00 WAT1 ATOM 4877 OH2 TIP3 1124 -6.979 12.583 20.559 1.00 0.00 WAT1 ATOM 4878 H1 TIP3 1124 -6.796 13.423 20.087 1.00 0.00 WAT1 ATOM 4879 H2 TIP3 1124 -7.846 12.745 21.000 1.00 0.00 WAT1 ATOM 4880 OH2 TIP3 1125 -6.932 15.227 19.656 1.00 0.00 WAT1 ATOM 4881 H1 TIP3 1125 -7.532 15.576 20.351 1.00 0.00 WAT1 ATOM 4882 H2 TIP3 1125 -6.035 15.400 20.008 1.00 0.00 WAT1 ATOM 4883 OH2 TIP3 1126 -6.990 16.068 17.027 1.00 0.00 WAT1 ATOM 4884 H1 TIP3 1126 -7.081 15.761 17.956 1.00 0.00 WAT1 ATOM 4885 H2 TIP3 1126 -7.206 17.029 17.070 1.00 0.00 WAT1 ATOM 4886 OH2 TIP3 1127 -11.022 18.238 16.285 1.00 0.00 WAT1 ATOM 4887 H1 TIP3 1127 -10.687 18.691 17.088 1.00 0.00 WAT1 ATOM 4888 H2 TIP3 1127 -11.054 17.289 16.542 1.00 0.00 WAT1 ATOM 4889 OH2 TIP3 1128 -10.977 15.581 16.756 1.00 0.00 WAT1 ATOM 4890 H1 TIP3 1128 -10.957 14.635 17.011 1.00 0.00 WAT1 ATOM 4891 H2 TIP3 1128 -10.853 15.567 15.784 1.00 0.00 WAT1 ATOM 4892 OH2 TIP3 1129 -5.585 13.805 16.415 1.00 0.00 WAT1 ATOM 4893 H1 TIP3 1129 -6.287 13.179 16.689 1.00 0.00 WAT1 ATOM 4894 H2 TIP3 1129 -5.986 14.692 16.562 1.00 0.00 WAT1 ATOM 4895 OH2 TIP3 1130 -8.435 2.540 14.214 1.00 0.00 WAT1 ATOM 4896 H1 TIP3 1130 -7.935 3.378 14.331 1.00 0.00 WAT1 ATOM 4897 H2 TIP3 1130 -8.959 2.692 13.421 1.00 0.00 WAT1 ATOM 4898 OH2 TIP3 1131 -3.384 0.414 16.136 1.00 0.00 WAT1 ATOM 4899 H1 TIP3 1131 -2.745 1.103 15.941 1.00 0.00 WAT1 ATOM 4900 H2 TIP3 1131 -4.155 0.899 16.503 1.00 0.00 WAT1 ATOM 4901 OH2 TIP3 1132 -1.772 19.522 10.347 1.00 0.00 WAT1 ATOM 4902 H1 TIP3 1132 -2.345 20.249 10.023 1.00 0.00 WAT1 ATOM 4903 H2 TIP3 1132 -1.743 18.888 9.592 1.00 0.00 WAT1 ATOM 4904 OH2 TIP3 1133 -9.617 12.061 7.365 1.00 0.00 WAT1 ATOM 4905 H1 TIP3 1133 -9.121 12.869 7.101 1.00 0.00 WAT1 ATOM 4906 H2 TIP3 1133 -8.927 11.358 7.388 1.00 0.00 WAT1 ATOM 4907 OH2 TIP3 1134 -10.491 4.534 32.125 1.00 0.00 WAT1 ATOM 4908 H1 TIP3 1134 -10.699 5.487 32.161 1.00 0.00 WAT1 ATOM 4909 H2 TIP3 1134 -11.021 4.208 31.371 1.00 0.00 WAT1 ATOM 4910 OH2 TIP3 1135 -12.555 7.775 28.525 1.00 0.00 WAT1 ATOM 4911 H1 TIP3 1135 -13.062 8.589 28.630 1.00 0.00 WAT1 ATOM 4912 H2 TIP3 1135 -11.845 8.019 27.887 1.00 0.00 WAT1 ATOM 4913 OH2 TIP3 1136 -7.354 6.563 30.115 1.00 0.00 WAT1 ATOM 4914 H1 TIP3 1136 -8.080 6.183 29.558 1.00 0.00 WAT1 ATOM 4915 H2 TIP3 1136 -7.478 6.148 30.975 1.00 0.00 WAT1 ATOM 4916 OH2 TIP3 1137 -3.481 -0.202 26.391 1.00 0.00 WAT1 ATOM 4917 H1 TIP3 1137 -4.442 -0.208 26.584 1.00 0.00 WAT1 ATOM 4918 H2 TIP3 1137 -3.184 -1.081 26.643 1.00 0.00 WAT1 ATOM 4919 OH2 TIP3 1138 -6.694 2.356 25.878 1.00 0.00 WAT1 ATOM 4920 H1 TIP3 1138 -6.444 3.233 26.235 1.00 0.00 WAT1 ATOM 4921 H2 TIP3 1138 -6.963 2.537 24.970 1.00 0.00 WAT1 ATOM 4922 OH2 TIP3 1139 -10.805 1.552 29.932 1.00 0.00 WAT1 ATOM 4923 H1 TIP3 1139 -10.037 1.898 29.425 1.00 0.00 WAT1 ATOM 4924 H2 TIP3 1139 -11.350 2.354 30.110 1.00 0.00 WAT1 ATOM 4925 OH2 TIP3 1140 -9.365 2.377 33.300 1.00 0.00 WAT1 ATOM 4926 H1 TIP3 1140 -9.757 3.168 32.847 1.00 0.00 WAT1 ATOM 4927 H2 TIP3 1140 -9.466 2.573 34.238 1.00 0.00 WAT1 ATOM 4928 OH2 TIP3 1141 -6.226 2.954 29.185 1.00 0.00 WAT1 ATOM 4929 H1 TIP3 1141 -6.497 2.754 30.106 1.00 0.00 WAT1 ATOM 4930 H2 TIP3 1141 -5.709 2.181 28.919 1.00 0.00 WAT1 ATOM 4931 OH2 TIP3 1142 -5.895 4.746 27.049 1.00 0.00 WAT1 ATOM 4932 H1 TIP3 1142 -5.959 4.224 27.879 1.00 0.00 WAT1 ATOM 4933 H2 TIP3 1142 -5.734 5.659 27.358 1.00 0.00 WAT1 ATOM 4934 OH2 TIP3 1143 -7.232 1.834 31.563 1.00 0.00 WAT1 ATOM 4935 H1 TIP3 1143 -6.591 1.764 32.279 1.00 0.00 WAT1 ATOM 4936 H2 TIP3 1143 -8.073 2.059 32.017 1.00 0.00 WAT1 ATOM 4937 OH2 TIP3 1144 -6.435 11.657 26.999 1.00 0.00 WAT1 ATOM 4938 H1 TIP3 1144 -6.450 11.163 26.148 1.00 0.00 WAT1 ATOM 4939 H2 TIP3 1144 -6.366 12.583 26.733 1.00 0.00 WAT1 ATOM 4940 OH2 TIP3 1145 -5.212 9.928 28.792 1.00 0.00 WAT1 ATOM 4941 H1 TIP3 1145 -4.441 10.372 29.165 1.00 0.00 WAT1 ATOM 4942 H2 TIP3 1145 -5.575 10.576 28.146 1.00 0.00 WAT1 ATOM 4943 OH2 TIP3 1146 -9.354 5.416 28.714 1.00 0.00 WAT1 ATOM 4944 H1 TIP3 1146 -9.193 4.452 28.638 1.00 0.00 WAT1 ATOM 4945 H2 TIP3 1146 -10.266 5.529 28.390 1.00 0.00 WAT1 ATOM 4946 OH2 TIP3 1147 -8.842 2.746 28.470 1.00 0.00 WAT1 ATOM 4947 H1 TIP3 1147 -7.884 2.849 28.651 1.00 0.00 WAT1 ATOM 4948 H2 TIP3 1147 -8.878 2.084 27.746 1.00 0.00 WAT1 ATOM 4949 OH2 TIP3 1148 -7.786 9.152 29.356 1.00 0.00 WAT1 ATOM 4950 H1 TIP3 1148 -7.791 8.278 29.799 1.00 0.00 WAT1 ATOM 4951 H2 TIP3 1148 -6.854 9.444 29.415 1.00 0.00 WAT1 ATOM 4952 OH2 TIP3 1149 -7.449 8.164 26.746 1.00 0.00 WAT1 ATOM 4953 H1 TIP3 1149 -7.715 8.473 27.633 1.00 0.00 WAT1 ATOM 4954 H2 TIP3 1149 -7.081 8.956 26.317 1.00 0.00 WAT1 ATOM 4955 OH2 TIP3 1150 -5.182 7.125 28.451 1.00 0.00 WAT1 ATOM 4956 H1 TIP3 1150 -5.871 6.855 29.096 1.00 0.00 WAT1 ATOM 4957 H2 TIP3 1150 -5.155 8.100 28.529 1.00 0.00 WAT1 ATOM 4958 OH2 TIP3 1151 -3.978 7.229 26.005 1.00 0.00 WAT1 ATOM 4959 H1 TIP3 1151 -3.074 6.923 26.126 1.00 0.00 WAT1 ATOM 4960 H2 TIP3 1151 -4.367 7.193 26.905 1.00 0.00 WAT1 ATOM 4961 OH2 TIP3 1152 -9.022 11.008 27.820 1.00 0.00 WAT1 ATOM 4962 H1 TIP3 1152 -8.829 10.402 28.570 1.00 0.00 WAT1 ATOM 4963 H2 TIP3 1152 -8.143 11.357 27.570 1.00 0.00 WAT1 ATOM 4964 OH2 TIP3 1153 -10.118 0.017 32.059 1.00 0.00 WAT1 ATOM 4965 H1 TIP3 1153 -9.887 0.725 32.695 1.00 0.00 WAT1 ATOM 4966 H2 TIP3 1153 -10.379 0.507 31.247 1.00 0.00 WAT1 ATOM 4967 OH2 TIP3 1154 -7.971 -2.713 30.110 1.00 0.00 WAT1 ATOM 4968 H1 TIP3 1154 -8.382 -2.691 31.003 1.00 0.00 WAT1 ATOM 4969 H2 TIP3 1154 -8.647 -3.128 29.547 1.00 0.00 WAT1 ATOM 4970 OH2 TIP3 1155 -6.843 -0.170 29.575 1.00 0.00 WAT1 ATOM 4971 H1 TIP3 1155 -7.134 0.441 30.278 1.00 0.00 WAT1 ATOM 4972 H2 TIP3 1155 -7.199 -1.038 29.847 1.00 0.00 WAT1 ATOM 4973 OH2 TIP3 1156 -6.200 -0.179 26.903 1.00 0.00 WAT1 ATOM 4974 H1 TIP3 1156 -6.523 0.692 26.575 1.00 0.00 WAT1 ATOM 4975 H2 TIP3 1156 -6.462 -0.189 27.852 1.00 0.00 WAT1 ATOM 4976 OH2 TIP3 1157 -6.834 33.682 -13.593 1.00 0.00 WAT1 ATOM 4977 H1 TIP3 1157 -6.365 32.990 -13.077 1.00 0.00 WAT1 ATOM 4978 H2 TIP3 1157 -6.249 34.458 -13.526 1.00 0.00 WAT1 ATOM 4979 OH2 TIP3 1158 -9.511 25.928 -11.022 1.00 0.00 WAT1 ATOM 4980 H1 TIP3 1158 -9.441 26.629 -11.682 1.00 0.00 WAT1 ATOM 4981 H2 TIP3 1158 -10.464 25.944 -10.753 1.00 0.00 WAT1 ATOM 4982 OH2 TIP3 1159 -9.490 33.463 -13.681 1.00 0.00 WAT1 ATOM 4983 H1 TIP3 1159 -9.682 34.421 -13.803 1.00 0.00 WAT1 ATOM 4984 H2 TIP3 1159 -8.516 33.394 -13.845 1.00 0.00 WAT1 ATOM 4985 OH2 TIP3 1160 -12.309 28.287 -11.560 1.00 0.00 WAT1 ATOM 4986 H1 TIP3 1160 -13.265 28.229 -11.731 1.00 0.00 WAT1 ATOM 4987 H2 TIP3 1160 -12.112 27.467 -11.053 1.00 0.00 WAT1 ATOM 4988 OH2 TIP3 1161 -12.639 33.751 -14.990 1.00 0.00 WAT1 ATOM 4989 H1 TIP3 1161 -12.458 32.993 -14.397 1.00 0.00 WAT1 ATOM 4990 H2 TIP3 1161 -11.836 34.284 -14.943 1.00 0.00 WAT1 ATOM 4991 OH2 TIP3 1162 -4.980 35.529 -12.632 1.00 0.00 WAT1 ATOM 4992 H1 TIP3 1162 -4.736 36.269 -13.218 1.00 0.00 WAT1 ATOM 4993 H2 TIP3 1162 -4.145 35.277 -12.196 1.00 0.00 WAT1 ATOM 4994 OH2 TIP3 1163 -11.690 32.000 -13.049 1.00 0.00 WAT1 ATOM 4995 H1 TIP3 1163 -10.839 32.338 -13.409 1.00 0.00 WAT1 ATOM 4996 H2 TIP3 1163 -11.420 31.301 -12.418 1.00 0.00 WAT1 ATOM 4997 OH2 TIP3 1164 -6.125 26.962 -9.881 1.00 0.00 WAT1 ATOM 4998 H1 TIP3 1164 -6.168 26.035 -10.206 1.00 0.00 WAT1 ATOM 4999 H2 TIP3 1164 -5.163 27.141 -9.812 1.00 0.00 WAT1 ATOM 5000 OH2 TIP3 1165 -8.562 23.456 -10.506 1.00 0.00 WAT1 ATOM 5001 H1 TIP3 1165 -8.909 23.349 -9.600 1.00 0.00 WAT1 ATOM 5002 H2 TIP3 1165 -8.914 24.327 -10.796 1.00 0.00 WAT1 ATOM 5003 OH2 TIP3 1166 3.311 35.484 -10.000 1.00 0.00 WAT1 ATOM 5004 H1 TIP3 1166 2.512 35.561 -10.545 1.00 0.00 WAT1 ATOM 5005 H2 TIP3 1166 3.122 36.041 -9.220 1.00 0.00 WAT1 ATOM 5006 OH2 TIP3 1167 -10.448 30.280 -11.155 1.00 0.00 WAT1 ATOM 5007 H1 TIP3 1167 -9.699 29.792 -10.752 1.00 0.00 WAT1 ATOM 5008 H2 TIP3 1167 -11.145 29.593 -11.272 1.00 0.00 WAT1 ATOM 5009 OH2 TIP3 1168 -12.944 24.111 -11.712 1.00 0.00 WAT1 ATOM 5010 H1 TIP3 1168 -12.561 23.295 -11.326 1.00 0.00 WAT1 ATOM 5011 H2 TIP3 1168 -12.604 24.835 -11.127 1.00 0.00 WAT1 ATOM 5012 OH2 TIP3 1169 -4.521 30.423 -10.020 1.00 0.00 WAT1 ATOM 5013 H1 TIP3 1169 -3.760 29.998 -10.471 1.00 0.00 WAT1 ATOM 5014 H2 TIP3 1169 -5.182 29.720 -9.956 1.00 0.00 WAT1 ATOM 5015 OH2 TIP3 1170 -7.085 38.091 -10.620 1.00 0.00 WAT1 ATOM 5016 H1 TIP3 1170 -7.397 38.532 -9.800 1.00 0.00 WAT1 ATOM 5017 H2 TIP3 1170 -6.148 37.886 -10.435 1.00 0.00 WAT1 ATOM 5018 OH2 TIP3 1171 -9.218 22.857 -17.691 1.00 0.00 WAT1 ATOM 5019 H1 TIP3 1171 -10.148 23.109 -17.537 1.00 0.00 WAT1 ATOM 5020 H2 TIP3 1171 -8.813 23.650 -18.045 1.00 0.00 WAT1 ATOM 5021 OH2 TIP3 1172 -12.197 34.642 -12.143 1.00 0.00 WAT1 ATOM 5022 H1 TIP3 1172 -12.051 33.681 -12.235 1.00 0.00 WAT1 ATOM 5023 H2 TIP3 1172 -11.383 35.043 -12.491 1.00 0.00 WAT1 ATOM 5024 OH2 TIP3 1173 -0.325 31.186 -10.569 1.00 0.00 WAT1 ATOM 5025 H1 TIP3 1173 -1.032 30.550 -10.802 1.00 0.00 WAT1 ATOM 5026 H2 TIP3 1173 -0.277 31.142 -9.592 1.00 0.00 WAT1 ATOM 5027 OH2 TIP3 1174 -5.208 32.383 -11.855 1.00 0.00 WAT1 ATOM 5028 H1 TIP3 1174 -4.630 33.130 -11.618 1.00 0.00 WAT1 ATOM 5029 H2 TIP3 1174 -5.012 31.707 -11.181 1.00 0.00 WAT1 ATOM 5030 OH2 TIP3 1175 -2.246 29.235 -11.108 1.00 0.00 WAT1 ATOM 5031 H1 TIP3 1175 -2.097 28.842 -11.977 1.00 0.00 WAT1 ATOM 5032 H2 TIP3 1175 -2.561 28.484 -10.556 1.00 0.00 WAT1 ATOM 5033 OH2 TIP3 1176 -1.714 25.850 -11.585 1.00 0.00 WAT1 ATOM 5034 H1 TIP3 1176 -2.461 25.319 -11.954 1.00 0.00 WAT1 ATOM 5035 H2 TIP3 1176 -0.999 25.213 -11.484 1.00 0.00 WAT1 ATOM 5036 OH2 TIP3 1177 -14.665 24.295 -6.193 1.00 0.00 WAT1 ATOM 5037 H1 TIP3 1177 -15.350 24.970 -6.067 1.00 0.00 WAT1 ATOM 5038 H2 TIP3 1177 -13.954 24.762 -6.689 1.00 0.00 WAT1 ATOM 5039 OH2 TIP3 1178 -9.468 21.059 -11.428 1.00 0.00 WAT1 ATOM 5040 H1 TIP3 1178 -8.915 20.512 -10.833 1.00 0.00 WAT1 ATOM 5041 H2 TIP3 1178 -9.114 21.967 -11.302 1.00 0.00 WAT1 ATOM 5042 OH2 TIP3 1179 3.418 28.564 -11.767 1.00 0.00 WAT1 ATOM 5043 H1 TIP3 1179 3.719 28.694 -12.673 1.00 0.00 WAT1 ATOM 5044 H2 TIP3 1179 3.915 29.238 -11.250 1.00 0.00 WAT1 ATOM 5045 OH2 TIP3 1180 -12.032 21.787 -10.457 1.00 0.00 WAT1 ATOM 5046 H1 TIP3 1180 -11.691 21.713 -9.556 1.00 0.00 WAT1 ATOM 5047 H2 TIP3 1180 -11.299 21.454 -11.016 1.00 0.00 WAT1 ATOM 5048 OH2 TIP3 1181 -9.235 32.824 -11.036 1.00 0.00 WAT1 ATOM 5049 H1 TIP3 1181 -9.308 33.015 -11.992 1.00 0.00 WAT1 ATOM 5050 H2 TIP3 1181 -9.642 31.939 -10.939 1.00 0.00 WAT1 ATOM 5051 OH2 TIP3 1182 -10.185 36.078 -13.698 1.00 0.00 WAT1 ATOM 5052 H1 TIP3 1182 -10.908 36.738 -13.760 1.00 0.00 WAT1 ATOM 5053 H2 TIP3 1182 -9.372 36.622 -13.602 1.00 0.00 WAT1 ATOM 5054 OH2 TIP3 1183 -0.637 37.074 -12.539 1.00 0.00 WAT1 ATOM 5055 H1 TIP3 1183 -0.263 36.328 -12.018 1.00 0.00 WAT1 ATOM 5056 H2 TIP3 1183 0.133 37.592 -12.790 1.00 0.00 WAT1 ATOM 5057 OH2 TIP3 1184 1.678 32.639 -11.642 1.00 0.00 WAT1 ATOM 5058 H1 TIP3 1184 0.984 32.090 -11.199 1.00 0.00 WAT1 ATOM 5059 H2 TIP3 1184 1.668 32.336 -12.556 1.00 0.00 WAT1 ATOM 5060 OH2 TIP3 1185 -14.294 38.725 -15.190 1.00 0.00 WAT1 ATOM 5061 H1 TIP3 1185 -13.897 39.594 -15.059 1.00 0.00 WAT1 ATOM 5062 H2 TIP3 1185 -13.737 38.126 -14.648 1.00 0.00 WAT1 ATOM 5063 OH2 TIP3 1186 -12.353 37.818 -13.422 1.00 0.00 WAT1 ATOM 5064 H1 TIP3 1186 -11.981 38.715 -13.228 1.00 0.00 WAT1 ATOM 5065 H2 TIP3 1186 -12.719 37.526 -12.576 1.00 0.00 WAT1 ATOM 5066 OH2 TIP3 1187 4.247 32.940 -10.538 1.00 0.00 WAT1 ATOM 5067 H1 TIP3 1187 4.153 33.903 -10.353 1.00 0.00 WAT1 ATOM 5068 H2 TIP3 1187 3.382 32.692 -10.918 1.00 0.00 WAT1 ATOM 5069 OH2 TIP3 1188 2.111 20.947 3.794 1.00 0.00 WAT1 ATOM 5070 H1 TIP3 1188 1.760 20.426 4.523 1.00 0.00 WAT1 ATOM 5071 H2 TIP3 1188 1.390 20.962 3.140 1.00 0.00 WAT1 ATOM 5072 OH2 TIP3 1189 2.801 23.515 3.128 1.00 0.00 WAT1 ATOM 5073 H1 TIP3 1189 3.476 23.919 3.713 1.00 0.00 WAT1 ATOM 5074 H2 TIP3 1189 2.731 22.585 3.448 1.00 0.00 WAT1 ATOM 5075 OH2 TIP3 1190 -2.353 21.664 -4.634 1.00 0.00 WAT1 ATOM 5076 H1 TIP3 1190 -1.626 21.012 -4.498 1.00 0.00 WAT1 ATOM 5077 H2 TIP3 1190 -3.086 21.306 -4.124 1.00 0.00 WAT1 ATOM 5078 OH2 TIP3 1191 0.047 21.956 2.080 1.00 0.00 WAT1 ATOM 5079 H1 TIP3 1191 0.511 22.357 1.328 1.00 0.00 WAT1 ATOM 5080 H2 TIP3 1191 0.113 22.631 2.791 1.00 0.00 WAT1 ATOM 5081 OH2 TIP3 1192 -6.498 20.654 -4.327 1.00 0.00 WAT1 ATOM 5082 H1 TIP3 1192 -6.224 20.270 -3.475 1.00 0.00 WAT1 ATOM 5083 H2 TIP3 1192 -6.436 21.619 -4.187 1.00 0.00 WAT1 ATOM 5084 OH2 TIP3 1193 -3.354 27.120 -9.799 1.00 0.00 WAT1 ATOM 5085 H1 TIP3 1193 -3.051 26.842 -8.905 1.00 0.00 WAT1 ATOM 5086 H2 TIP3 1193 -2.825 26.561 -10.413 1.00 0.00 WAT1 ATOM 5087 OH2 TIP3 1194 6.069 24.653 1.812 1.00 0.00 WAT1 ATOM 5088 H1 TIP3 1194 6.154 25.624 1.973 1.00 0.00 WAT1 ATOM 5089 H2 TIP3 1194 6.927 24.397 1.455 1.00 0.00 WAT1 ATOM 5090 OH2 TIP3 1195 1.610 27.144 -7.309 1.00 0.00 WAT1 ATOM 5091 H1 TIP3 1195 2.270 27.852 -7.140 1.00 0.00 WAT1 ATOM 5092 H2 TIP3 1195 1.580 27.077 -8.294 1.00 0.00 WAT1 ATOM 5093 OH2 TIP3 1196 3.396 29.159 -6.753 1.00 0.00 WAT1 ATOM 5094 H1 TIP3 1196 4.188 29.317 -7.308 1.00 0.00 WAT1 ATOM 5095 H2 TIP3 1196 2.973 30.045 -6.687 1.00 0.00 WAT1 ATOM 5096 OH2 TIP3 1197 3.667 32.319 6.861 1.00 0.00 WAT1 ATOM 5097 H1 TIP3 1197 3.516 33.215 7.231 1.00 0.00 WAT1 ATOM 5098 H2 TIP3 1197 3.025 32.254 6.139 1.00 0.00 WAT1 ATOM 5099 OH2 TIP3 1198 -1.915 35.453 -6.138 1.00 0.00 WAT1 ATOM 5100 H1 TIP3 1198 -1.394 34.617 -6.098 1.00 0.00 WAT1 ATOM 5101 H2 TIP3 1198 -1.722 35.896 -5.288 1.00 0.00 WAT1 ATOM 5102 OH2 TIP3 1199 -0.433 33.245 -6.349 1.00 0.00 WAT1 ATOM 5103 H1 TIP3 1199 -0.422 32.395 -6.835 1.00 0.00 WAT1 ATOM 5104 H2 TIP3 1199 0.134 33.074 -5.553 1.00 0.00 WAT1 ATOM 5105 OH2 TIP3 1200 -1.191 24.232 7.170 1.00 0.00 WAT1 ATOM 5106 H1 TIP3 1200 -1.222 24.959 6.510 1.00 0.00 WAT1 ATOM 5107 H2 TIP3 1200 -0.437 23.674 6.875 1.00 0.00 WAT1 ATOM 5108 OH2 TIP3 1201 -4.965 19.302 2.705 1.00 0.00 WAT1 ATOM 5109 H1 TIP3 1201 -5.925 19.227 2.509 1.00 0.00 WAT1 ATOM 5110 H2 TIP3 1201 -4.685 20.087 2.221 1.00 0.00 WAT1 ATOM 5111 OH2 TIP3 1202 -3.802 23.395 7.301 1.00 0.00 WAT1 ATOM 5112 H1 TIP3 1202 -4.355 24.136 7.632 1.00 0.00 WAT1 ATOM 5113 H2 TIP3 1202 -2.893 23.771 7.263 1.00 0.00 WAT1 ATOM 5114 OH2 TIP3 1203 1.533 27.380 -10.038 1.00 0.00 WAT1 ATOM 5115 H1 TIP3 1203 0.709 27.492 -10.520 1.00 0.00 WAT1 ATOM 5116 H2 TIP3 1203 2.213 27.766 -10.629 1.00 0.00 WAT1 ATOM 5117 OH2 TIP3 1204 -5.319 22.960 -8.165 1.00 0.00 WAT1 ATOM 5118 H1 TIP3 1204 -6.003 22.820 -7.482 1.00 0.00 WAT1 ATOM 5119 H2 TIP3 1204 -4.479 23.011 -7.659 1.00 0.00 WAT1 ATOM 5120 OH2 TIP3 1205 -5.915 24.273 -10.439 1.00 0.00 WAT1 ATOM 5121 H1 TIP3 1205 -5.595 23.815 -9.623 1.00 0.00 WAT1 ATOM 5122 H2 TIP3 1205 -6.817 23.909 -10.574 1.00 0.00 WAT1 ATOM 5123 OH2 TIP3 1206 -6.405 23.487 -4.365 1.00 0.00 WAT1 ATOM 5124 H1 TIP3 1206 -6.929 23.283 -5.172 1.00 0.00 WAT1 ATOM 5125 H2 TIP3 1206 -6.126 24.402 -4.486 1.00 0.00 WAT1 ATOM 5126 OH2 TIP3 1207 -2.211 23.770 1.903 1.00 0.00 WAT1 ATOM 5127 H1 TIP3 1207 -2.809 23.827 2.684 1.00 0.00 WAT1 ATOM 5128 H2 TIP3 1207 -1.634 23.015 2.105 1.00 0.00 WAT1 ATOM 5129 OH2 TIP3 1208 -9.915 23.732 -7.919 1.00 0.00 WAT1 ATOM 5130 H1 TIP3 1208 -10.835 24.042 -7.912 1.00 0.00 WAT1 ATOM 5131 H2 TIP3 1208 -9.382 24.560 -7.971 1.00 0.00 WAT1 ATOM 5132 OH2 TIP3 1209 3.955 37.318 6.555 1.00 0.00 WAT1 ATOM 5133 H1 TIP3 1209 3.762 37.080 5.623 1.00 0.00 WAT1 ATOM 5134 H2 TIP3 1209 4.916 37.299 6.610 1.00 0.00 WAT1 ATOM 5135 OH2 TIP3 1210 -6.005 18.690 -8.277 1.00 0.00 WAT1 ATOM 5136 H1 TIP3 1210 -5.367 18.106 -8.692 1.00 0.00 WAT1 ATOM 5137 H2 TIP3 1210 -5.779 18.658 -7.326 1.00 0.00 WAT1 ATOM 5138 OH2 TIP3 1211 -3.855 24.330 -12.224 1.00 0.00 WAT1 ATOM 5139 H1 TIP3 1211 -4.178 23.709 -12.882 1.00 0.00 WAT1 ATOM 5140 H2 TIP3 1211 -4.561 24.343 -11.539 1.00 0.00 WAT1 ATOM 5141 OH2 TIP3 1212 -0.817 28.450 -7.133 1.00 0.00 WAT1 ATOM 5142 H1 TIP3 1212 -1.547 27.807 -7.068 1.00 0.00 WAT1 ATOM 5143 H2 TIP3 1212 -0.010 27.895 -7.145 1.00 0.00 WAT1 ATOM 5144 OH2 TIP3 1213 4.521 27.133 -5.231 1.00 0.00 WAT1 ATOM 5145 H1 TIP3 1213 5.317 26.946 -5.767 1.00 0.00 WAT1 ATOM 5146 H2 TIP3 1213 4.077 27.864 -5.713 1.00 0.00 WAT1 ATOM 5147 OH2 TIP3 1214 2.411 28.255 5.444 1.00 0.00 WAT1 ATOM 5148 H1 TIP3 1214 3.206 28.348 4.905 1.00 0.00 WAT1 ATOM 5149 H2 TIP3 1214 2.573 28.847 6.216 1.00 0.00 WAT1 ATOM 5150 OH2 TIP3 1215 -2.656 34.181 2.998 1.00 0.00 WAT1 ATOM 5151 H1 TIP3 1215 -3.002 34.709 2.251 1.00 0.00 WAT1 ATOM 5152 H2 TIP3 1215 -3.443 34.047 3.571 1.00 0.00 WAT1 ATOM 5153 OH2 TIP3 1216 3.464 34.272 -6.920 1.00 0.00 WAT1 ATOM 5154 H1 TIP3 1216 4.307 34.159 -7.412 1.00 0.00 WAT1 ATOM 5155 H2 TIP3 1216 3.102 35.120 -7.254 1.00 0.00 WAT1 ATOM 5156 OH2 TIP3 1217 -3.075 32.319 -8.649 1.00 0.00 WAT1 ATOM 5157 H1 TIP3 1217 -3.614 31.620 -9.084 1.00 0.00 WAT1 ATOM 5158 H2 TIP3 1217 -2.292 31.846 -8.321 1.00 0.00 WAT1 ATOM 5159 OH2 TIP3 1218 -3.823 23.599 4.133 1.00 0.00 WAT1 ATOM 5160 H1 TIP3 1218 -3.860 23.547 5.098 1.00 0.00 WAT1 ATOM 5161 H2 TIP3 1218 -4.762 23.655 3.857 1.00 0.00 WAT1 ATOM 5162 OH2 TIP3 1219 -2.944 23.343 -6.716 1.00 0.00 WAT1 ATOM 5163 H1 TIP3 1219 -2.867 22.715 -5.965 1.00 0.00 WAT1 ATOM 5164 H2 TIP3 1219 -2.022 23.606 -6.896 1.00 0.00 WAT1 ATOM 5165 OH2 TIP3 1220 -4.180 34.175 -6.905 1.00 0.00 WAT1 ATOM 5166 H1 TIP3 1220 -3.430 34.708 -6.562 1.00 0.00 WAT1 ATOM 5167 H2 TIP3 1220 -3.750 33.455 -7.410 1.00 0.00 WAT1 ATOM 5168 OH2 TIP3 1221 -2.446 26.100 -7.414 1.00 0.00 WAT1 ATOM 5169 H1 TIP3 1221 -1.584 25.664 -7.220 1.00 0.00 WAT1 ATOM 5170 H2 TIP3 1221 -3.107 25.435 -7.155 1.00 0.00 WAT1 ATOM 5171 OH2 TIP3 1222 -5.291 18.555 -5.599 1.00 0.00 WAT1 ATOM 5172 H1 TIP3 1222 -5.780 19.349 -5.274 1.00 0.00 WAT1 ATOM 5173 H2 TIP3 1222 -4.613 18.406 -4.927 1.00 0.00 WAT1 ATOM 5174 OH2 TIP3 1223 -7.692 22.575 -6.616 1.00 0.00 WAT1 ATOM 5175 H1 TIP3 1223 -7.852 21.626 -6.500 1.00 0.00 WAT1 ATOM 5176 H2 TIP3 1223 -8.506 22.903 -7.056 1.00 0.00 WAT1 ATOM 5177 OH2 TIP3 1224 0.863 22.615 6.325 1.00 0.00 WAT1 ATOM 5178 H1 TIP3 1224 1.049 21.700 6.607 1.00 0.00 WAT1 ATOM 5179 H2 TIP3 1224 1.744 23.067 6.381 1.00 0.00 WAT1 ATOM 5180 OH2 TIP3 1225 2.757 38.209 1.947 1.00 0.00 WAT1 ATOM 5181 H1 TIP3 1225 2.088 38.875 1.684 1.00 0.00 WAT1 ATOM 5182 H2 TIP3 1225 3.467 38.297 1.269 1.00 0.00 WAT1 ATOM 5183 OH2 TIP3 1226 -3.197 34.221 -10.787 1.00 0.00 WAT1 ATOM 5184 H1 TIP3 1226 -2.322 34.626 -10.756 1.00 0.00 WAT1 ATOM 5185 H2 TIP3 1226 -3.213 33.624 -10.011 1.00 0.00 WAT1 ATOM 5186 OH2 TIP3 1227 2.311 31.730 -6.734 1.00 0.00 WAT1 ATOM 5187 H1 TIP3 1227 1.913 31.948 -5.856 1.00 0.00 WAT1 ATOM 5188 H2 TIP3 1227 2.754 32.563 -7.002 1.00 0.00 WAT1 ATOM 5189 OH2 TIP3 1228 -8.376 28.786 -9.735 1.00 0.00 WAT1 ATOM 5190 H1 TIP3 1228 -7.619 28.206 -9.938 1.00 0.00 WAT1 ATOM 5191 H2 TIP3 1228 -8.449 28.750 -8.764 1.00 0.00 WAT1 ATOM 5192 OH2 TIP3 1229 -0.206 30.979 -7.834 1.00 0.00 WAT1 ATOM 5193 H1 TIP3 1229 0.738 31.059 -7.579 1.00 0.00 WAT1 ATOM 5194 H2 TIP3 1229 -0.460 30.068 -7.541 1.00 0.00 WAT1 ATOM 5195 OH2 TIP3 1230 -8.305 25.833 -8.517 1.00 0.00 WAT1 ATOM 5196 H1 TIP3 1230 -8.746 26.005 -9.374 1.00 0.00 WAT1 ATOM 5197 H2 TIP3 1230 -7.420 26.216 -8.626 1.00 0.00 WAT1 ATOM 5198 OH2 TIP3 1231 6.056 27.612 -10.840 1.00 0.00 WAT1 ATOM 5199 H1 TIP3 1231 5.153 27.388 -11.102 1.00 0.00 WAT1 ATOM 5200 H2 TIP3 1231 6.049 28.585 -10.779 1.00 0.00 WAT1 ATOM 5201 OH2 TIP3 1232 -3.369 21.509 9.252 1.00 0.00 WAT1 ATOM 5202 H1 TIP3 1232 -3.492 22.229 8.596 1.00 0.00 WAT1 ATOM 5203 H2 TIP3 1232 -3.324 21.977 10.114 1.00 0.00 WAT1 ATOM 5204 OH2 TIP3 1233 -1.395 25.931 4.928 1.00 0.00 WAT1 ATOM 5205 H1 TIP3 1233 -2.145 26.083 4.327 1.00 0.00 WAT1 ATOM 5206 H2 TIP3 1233 -0.835 25.280 4.452 1.00 0.00 WAT1 ATOM 5207 OH2 TIP3 1234 4.691 38.101 0.059 1.00 0.00 WAT1 ATOM 5208 H1 TIP3 1234 5.438 38.589 -0.298 1.00 0.00 WAT1 ATOM 5209 H2 TIP3 1234 4.477 37.441 -0.640 1.00 0.00 WAT1 ATOM 5210 OH2 TIP3 1235 6.057 30.998 7.146 1.00 0.00 WAT1 ATOM 5211 H1 TIP3 1235 6.658 31.655 7.503 1.00 0.00 WAT1 ATOM 5212 H2 TIP3 1235 5.222 31.491 6.995 1.00 0.00 WAT1 ATOM 5213 OH2 TIP3 1236 2.816 29.757 7.680 1.00 0.00 WAT1 ATOM 5214 H1 TIP3 1236 3.120 30.683 7.599 1.00 0.00 WAT1 ATOM 5215 H2 TIP3 1236 2.040 29.812 8.288 1.00 0.00 WAT1 ATOM 5216 OH2 TIP3 1237 5.830 29.716 -7.893 1.00 0.00 WAT1 ATOM 5217 H1 TIP3 1237 6.143 30.344 -7.203 1.00 0.00 WAT1 ATOM 5218 H2 TIP3 1237 6.240 28.860 -7.640 1.00 0.00 WAT1 ATOM 5219 OH2 TIP3 1238 4.343 29.089 -0.250 1.00 0.00 WAT1 ATOM 5220 H1 TIP3 1238 3.901 28.529 0.426 1.00 0.00 WAT1 ATOM 5221 H2 TIP3 1238 4.303 28.549 -1.065 1.00 0.00 WAT1 ATOM 5222 OH2 TIP3 1239 4.947 32.415 1.494 1.00 0.00 WAT1 ATOM 5223 H1 TIP3 1239 4.807 33.373 1.625 1.00 0.00 WAT1 ATOM 5224 H2 TIP3 1239 4.087 32.021 1.698 1.00 0.00 WAT1 ATOM 5225 OH2 TIP3 1240 1.240 31.157 0.266 1.00 0.00 WAT1 ATOM 5226 H1 TIP3 1240 1.126 31.622 -0.592 1.00 0.00 WAT1 ATOM 5227 H2 TIP3 1240 0.448 31.392 0.773 1.00 0.00 WAT1 ATOM 5228 OH2 TIP3 1241 7.625 26.085 -9.233 1.00 0.00 WAT1 ATOM 5229 H1 TIP3 1241 7.102 26.627 -9.869 1.00 0.00 WAT1 ATOM 5230 H2 TIP3 1241 8.092 25.456 -9.789 1.00 0.00 WAT1 ATOM 5231 OH2 TIP3 1242 6.828 27.293 -6.935 1.00 0.00 WAT1 ATOM 5232 H1 TIP3 1242 7.040 26.776 -7.751 1.00 0.00 WAT1 ATOM 5233 H2 TIP3 1242 7.656 27.305 -6.443 1.00 0.00 WAT1 ATOM 5234 OH2 TIP3 1243 0.258 23.886 3.991 1.00 0.00 WAT1 ATOM 5235 H1 TIP3 1243 0.400 23.408 4.838 1.00 0.00 WAT1 ATOM 5236 H2 TIP3 1243 1.165 24.061 3.662 1.00 0.00 WAT1 ATOM 5237 OH2 TIP3 1244 5.222 28.413 7.093 1.00 0.00 WAT1 ATOM 5238 H1 TIP3 1244 5.688 29.279 7.138 1.00 0.00 WAT1 ATOM 5239 H2 TIP3 1244 4.363 28.587 7.519 1.00 0.00 WAT1 ATOM 5240 OH2 TIP3 1245 1.997 25.812 -4.947 1.00 0.00 WAT1 ATOM 5241 H1 TIP3 1245 2.965 25.901 -4.970 1.00 0.00 WAT1 ATOM 5242 H2 TIP3 1245 1.698 26.282 -5.752 1.00 0.00 WAT1 ATOM 5243 OH2 TIP3 1246 -1.136 23.399 -0.613 1.00 0.00 WAT1 ATOM 5244 H1 TIP3 1246 -0.308 23.934 -0.603 1.00 0.00 WAT1 ATOM 5245 H2 TIP3 1246 -1.620 23.693 0.184 1.00 0.00 WAT1 ATOM 5246 OH2 TIP3 1247 3.626 27.099 1.486 1.00 0.00 WAT1 ATOM 5247 H1 TIP3 1247 4.492 27.140 1.937 1.00 0.00 WAT1 ATOM 5248 H2 TIP3 1247 3.336 26.189 1.610 1.00 0.00 WAT1 ATOM 5249 OH2 TIP3 1248 1.346 26.494 -2.364 1.00 0.00 WAT1 ATOM 5250 H1 TIP3 1248 1.321 26.092 -3.262 1.00 0.00 WAT1 ATOM 5251 H2 TIP3 1248 2.204 26.966 -2.342 1.00 0.00 WAT1 ATOM 5252 OH2 TIP3 1249 0.336 36.777 1.866 1.00 0.00 WAT1 ATOM 5253 H1 TIP3 1249 -0.013 37.641 1.597 1.00 0.00 WAT1 ATOM 5254 H2 TIP3 1249 1.300 36.898 1.850 1.00 0.00 WAT1 ATOM 5255 OH2 TIP3 1250 -0.437 19.894 -3.819 1.00 0.00 WAT1 ATOM 5256 H1 TIP3 1250 0.186 19.164 -3.835 1.00 0.00 WAT1 ATOM 5257 H2 TIP3 1250 -0.273 20.333 -2.951 1.00 0.00 WAT1 ATOM 5258 OH2 TIP3 1251 0.025 21.120 -1.472 1.00 0.00 WAT1 ATOM 5259 H1 TIP3 1251 0.952 21.280 -1.173 1.00 0.00 WAT1 ATOM 5260 H2 TIP3 1251 -0.446 21.960 -1.253 1.00 0.00 WAT1 ATOM 5261 OH2 TIP3 1252 2.553 21.553 -0.563 1.00 0.00 WAT1 ATOM 5262 H1 TIP3 1252 2.955 22.365 -0.192 1.00 0.00 WAT1 ATOM 5263 H2 TIP3 1252 3.289 21.094 -0.975 1.00 0.00 WAT1 ATOM 5264 OH2 TIP3 1253 -14.457 15.940 -3.662 1.00 0.00 WAT1 ATOM 5265 H1 TIP3 1253 -13.707 15.962 -4.288 1.00 0.00 WAT1 ATOM 5266 H2 TIP3 1253 -14.953 16.767 -3.853 1.00 0.00 WAT1 ATOM 5267 OH2 TIP3 1254 -7.235 16.708 -5.086 1.00 0.00 WAT1 ATOM 5268 H1 TIP3 1254 -7.365 17.147 -4.218 1.00 0.00 WAT1 ATOM 5269 H2 TIP3 1254 -6.522 17.228 -5.509 1.00 0.00 WAT1 ATOM 5270 OH2 TIP3 1255 -3.607 16.788 -2.657 1.00 0.00 WAT1 ATOM 5271 H1 TIP3 1255 -4.145 16.446 -1.906 1.00 0.00 WAT1 ATOM 5272 H2 TIP3 1255 -3.544 16.042 -3.261 1.00 0.00 WAT1 ATOM 5273 OH2 TIP3 1256 -0.372 24.597 -6.568 1.00 0.00 WAT1 ATOM 5274 H1 TIP3 1256 0.587 24.697 -6.649 1.00 0.00 WAT1 ATOM 5275 H2 TIP3 1256 -0.536 24.637 -5.595 1.00 0.00 WAT1 ATOM 5276 OH2 TIP3 1257 -7.527 20.630 -9.428 1.00 0.00 WAT1 ATOM 5277 H1 TIP3 1257 -6.895 21.340 -9.265 1.00 0.00 WAT1 ATOM 5278 H2 TIP3 1257 -7.110 19.840 -9.018 1.00 0.00 WAT1 ATOM 5279 OH2 TIP3 1258 -9.533 17.834 -6.375 1.00 0.00 WAT1 ATOM 5280 H1 TIP3 1258 -8.645 17.467 -6.239 1.00 0.00 WAT1 ATOM 5281 H2 TIP3 1258 -9.953 17.761 -5.505 1.00 0.00 WAT1 ATOM 5282 OH2 TIP3 1259 -0.166 35.116 -8.399 1.00 0.00 WAT1 ATOM 5283 H1 TIP3 1259 -0.888 35.619 -7.981 1.00 0.00 WAT1 ATOM 5284 H2 TIP3 1259 -0.060 34.332 -7.819 1.00 0.00 WAT1 ATOM 5285 OH2 TIP3 1260 1.724 20.065 7.115 1.00 0.00 WAT1 ATOM 5286 H1 TIP3 1260 2.673 20.171 7.256 1.00 0.00 WAT1 ATOM 5287 H2 TIP3 1260 1.334 20.150 8.025 1.00 0.00 WAT1 ATOM 5288 OH2 TIP3 1261 -0.492 35.385 4.065 1.00 0.00 WAT1 ATOM 5289 H1 TIP3 1261 -1.308 34.902 3.797 1.00 0.00 WAT1 ATOM 5290 H2 TIP3 1261 -0.204 35.837 3.238 1.00 0.00 WAT1 ATOM 5291 OH2 TIP3 1262 -11.081 22.796 11.165 1.00 0.00 WAT1 ATOM 5292 H1 TIP3 1262 -11.009 23.745 11.346 1.00 0.00 WAT1 ATOM 5293 H2 TIP3 1262 -11.124 22.384 12.059 1.00 0.00 WAT1 ATOM 5294 OH2 TIP3 1263 -9.791 25.675 15.824 1.00 0.00 WAT1 ATOM 5295 H1 TIP3 1263 -10.363 25.469 15.058 1.00 0.00 WAT1 ATOM 5296 H2 TIP3 1263 -9.138 24.948 15.833 1.00 0.00 WAT1 ATOM 5297 OH2 TIP3 1264 -7.595 20.706 14.953 1.00 0.00 WAT1 ATOM 5298 H1 TIP3 1264 -6.806 20.497 14.435 1.00 0.00 WAT1 ATOM 5299 H2 TIP3 1264 -8.312 20.185 14.525 1.00 0.00 WAT1 ATOM 5300 OH2 TIP3 1265 -8.625 23.215 15.278 1.00 0.00 WAT1 ATOM 5301 H1 TIP3 1265 -8.165 22.346 15.319 1.00 0.00 WAT1 ATOM 5302 H2 TIP3 1265 -8.396 23.562 14.393 1.00 0.00 WAT1 ATOM 5303 OH2 TIP3 1266 -9.987 19.324 18.557 1.00 0.00 WAT1 ATOM 5304 H1 TIP3 1266 -10.415 20.141 18.892 1.00 0.00 WAT1 ATOM 5305 H2 TIP3 1266 -10.101 18.674 19.287 1.00 0.00 WAT1 ATOM 5306 OH2 TIP3 1267 -3.412 31.988 12.504 1.00 0.00 WAT1 ATOM 5307 H1 TIP3 1267 -4.383 32.114 12.501 1.00 0.00 WAT1 ATOM 5308 H2 TIP3 1267 -3.110 32.492 13.290 1.00 0.00 WAT1 ATOM 5309 OH2 TIP3 1268 -11.106 22.368 16.449 1.00 0.00 WAT1 ATOM 5310 H1 TIP3 1268 -11.122 22.016 17.366 1.00 0.00 WAT1 ATOM 5311 H2 TIP3 1268 -10.174 22.632 16.308 1.00 0.00 WAT1 ATOM 5312 OH2 TIP3 1269 -2.720 34.561 11.424 1.00 0.00 WAT1 ATOM 5313 H1 TIP3 1269 -3.667 34.641 11.674 1.00 0.00 WAT1 ATOM 5314 H2 TIP3 1269 -2.486 33.654 11.683 1.00 0.00 WAT1 ATOM 5315 OH2 TIP3 1270 -4.345 29.390 11.702 1.00 0.00 WAT1 ATOM 5316 H1 TIP3 1270 -4.950 29.397 12.483 1.00 0.00 WAT1 ATOM 5317 H2 TIP3 1270 -3.763 30.161 11.850 1.00 0.00 WAT1 ATOM 5318 OH2 TIP3 1271 -7.338 21.934 11.205 1.00 0.00 WAT1 ATOM 5319 H1 TIP3 1271 -8.122 21.566 10.746 1.00 0.00 WAT1 ATOM 5320 H2 TIP3 1271 -6.799 21.145 11.425 1.00 0.00 WAT1 ATOM 5321 OH2 TIP3 1272 -6.919 26.325 11.360 1.00 0.00 WAT1 ATOM 5322 H1 TIP3 1272 -6.183 25.684 11.315 1.00 0.00 WAT1 ATOM 5323 H2 TIP3 1272 -6.589 27.101 10.869 1.00 0.00 WAT1 ATOM 5324 OH2 TIP3 1273 -1.548 26.658 10.662 1.00 0.00 WAT1 ATOM 5325 H1 TIP3 1273 -1.368 25.732 10.391 1.00 0.00 WAT1 ATOM 5326 H2 TIP3 1273 -1.106 26.747 11.510 1.00 0.00 WAT1 ATOM 5327 OH2 TIP3 1274 -6.142 29.972 13.647 1.00 0.00 WAT1 ATOM 5328 H1 TIP3 1274 -6.119 30.886 13.287 1.00 0.00 WAT1 ATOM 5329 H2 TIP3 1274 -6.914 29.966 14.219 1.00 0.00 WAT1 ATOM 5330 OH2 TIP3 1275 -5.459 25.373 8.393 1.00 0.00 WAT1 ATOM 5331 H1 TIP3 1275 -4.969 26.069 8.895 1.00 0.00 WAT1 ATOM 5332 H2 TIP3 1275 -6.010 25.873 7.774 1.00 0.00 WAT1 ATOM 5333 OH2 TIP3 1276 2.769 34.882 7.378 1.00 0.00 WAT1 ATOM 5334 H1 TIP3 1276 3.071 35.806 7.276 1.00 0.00 WAT1 ATOM 5335 H2 TIP3 1276 2.122 34.759 6.656 1.00 0.00 WAT1 ATOM 5336 OH2 TIP3 1277 -2.713 33.861 14.430 1.00 0.00 WAT1 ATOM 5337 H1 TIP3 1277 -2.208 33.920 15.244 1.00 0.00 WAT1 ATOM 5338 H2 TIP3 1277 -2.934 34.793 14.217 1.00 0.00 WAT1 ATOM 5339 OH2 TIP3 1278 -8.663 32.445 13.686 1.00 0.00 WAT1 ATOM 5340 H1 TIP3 1278 -9.222 31.827 13.167 1.00 0.00 WAT1 ATOM 5341 H2 TIP3 1278 -9.301 32.910 14.269 1.00 0.00 WAT1 ATOM 5342 OH2 TIP3 1279 0.877 37.305 5.380 1.00 0.00 WAT1 ATOM 5343 H1 TIP3 1279 1.686 36.998 4.923 1.00 0.00 WAT1 ATOM 5344 H2 TIP3 1279 0.197 36.640 5.130 1.00 0.00 WAT1 ATOM 5345 OH2 TIP3 1280 -5.320 35.042 12.105 1.00 0.00 WAT1 ATOM 5346 H1 TIP3 1280 -5.466 35.555 12.910 1.00 0.00 WAT1 ATOM 5347 H2 TIP3 1280 -5.533 35.668 11.382 1.00 0.00 WAT1 ATOM 5348 OH2 TIP3 1281 -7.881 18.660 16.871 1.00 0.00 WAT1 ATOM 5349 H1 TIP3 1281 -7.729 19.494 16.391 1.00 0.00 WAT1 ATOM 5350 H2 TIP3 1281 -8.558 18.892 17.543 1.00 0.00 WAT1 ATOM 5351 OH2 TIP3 1282 2.052 26.212 7.292 1.00 0.00 WAT1 ATOM 5352 H1 TIP3 1282 2.122 26.867 6.567 1.00 0.00 WAT1 ATOM 5353 H2 TIP3 1282 1.577 26.678 7.987 1.00 0.00 WAT1 ATOM 5354 OH2 TIP3 1283 -9.603 20.789 10.081 1.00 0.00 WAT1 ATOM 5355 H1 TIP3 1283 -10.352 20.193 9.879 1.00 0.00 WAT1 ATOM 5356 H2 TIP3 1283 -10.036 21.628 10.349 1.00 0.00 WAT1 ATOM 5357 OH2 TIP3 1284 -3.117 22.980 11.589 1.00 0.00 WAT1 ATOM 5358 H1 TIP3 1284 -3.914 23.546 11.478 1.00 0.00 WAT1 ATOM 5359 H2 TIP3 1284 -2.394 23.501 11.183 1.00 0.00 WAT1 ATOM 5360 OH2 TIP3 1285 -10.838 17.720 12.153 1.00 0.00 WAT1 ATOM 5361 H1 TIP3 1285 -11.587 17.702 11.534 1.00 0.00 WAT1 ATOM 5362 H2 TIP3 1285 -10.045 17.842 11.571 1.00 0.00 WAT1 ATOM 5363 OH2 TIP3 1286 -11.024 21.785 13.749 1.00 0.00 WAT1 ATOM 5364 H1 TIP3 1286 -10.511 20.950 13.755 1.00 0.00 WAT1 ATOM 5365 H2 TIP3 1286 -11.261 21.923 14.693 1.00 0.00 WAT1 ATOM 5366 OH2 TIP3 1287 -5.528 23.981 10.802 1.00 0.00 WAT1 ATOM 5367 H1 TIP3 1287 -5.652 24.293 9.883 1.00 0.00 WAT1 ATOM 5368 H2 TIP3 1287 -6.156 23.231 10.890 1.00 0.00 WAT1 ATOM 5369 OH2 TIP3 1288 -9.788 19.292 14.129 1.00 0.00 WAT1 ATOM 5370 H1 TIP3 1288 -10.097 18.706 13.404 1.00 0.00 WAT1 ATOM 5371 H2 TIP3 1288 -10.240 18.935 14.934 1.00 0.00 WAT1 ATOM 5372 OH2 TIP3 1289 -6.472 28.950 10.018 1.00 0.00 WAT1 ATOM 5373 H1 TIP3 1289 -6.098 28.996 9.112 1.00 0.00 WAT1 ATOM 5374 H2 TIP3 1289 -5.763 29.314 10.587 1.00 0.00 WAT1 ATOM 5375 OH2 TIP3 1290 -1.749 18.074 8.080 1.00 0.00 WAT1 ATOM 5376 H1 TIP3 1290 -2.319 17.332 7.790 1.00 0.00 WAT1 ATOM 5377 H2 TIP3 1290 -1.058 18.125 7.389 1.00 0.00 WAT1 ATOM 5378 OH2 TIP3 1291 -1.171 24.073 9.957 1.00 0.00 WAT1 ATOM 5379 H1 TIP3 1291 -0.391 23.544 10.240 1.00 0.00 WAT1 ATOM 5380 H2 TIP3 1291 -1.110 24.087 8.975 1.00 0.00 WAT1 ATOM 5381 OH2 TIP3 1292 0.612 30.245 9.196 1.00 0.00 WAT1 ATOM 5382 H1 TIP3 1292 0.631 31.202 8.976 1.00 0.00 WAT1 ATOM 5383 H2 TIP3 1292 -0.183 30.139 9.727 1.00 0.00 WAT1 ATOM 5384 OH2 TIP3 1293 -10.207 30.644 12.326 1.00 0.00 WAT1 ATOM 5385 H1 TIP3 1293 -9.575 29.905 12.157 1.00 0.00 WAT1 ATOM 5386 H2 TIP3 1293 -11.021 30.355 11.909 1.00 0.00 WAT1 ATOM 5387 OH2 TIP3 1294 -8.651 28.571 11.639 1.00 0.00 WAT1 ATOM 5388 H1 TIP3 1294 -7.959 28.894 11.022 1.00 0.00 WAT1 ATOM 5389 H2 TIP3 1294 -8.355 27.679 11.874 1.00 0.00 WAT1 ATOM 5390 OH2 TIP3 1295 -6.155 32.487 12.618 1.00 0.00 WAT1 ATOM 5391 H1 TIP3 1295 -7.069 32.564 12.987 1.00 0.00 WAT1 ATOM 5392 H2 TIP3 1295 -5.927 33.404 12.354 1.00 0.00 WAT1 ATOM 5393 OH2 TIP3 1296 0.346 31.419 4.168 1.00 0.00 WAT1 ATOM 5394 H1 TIP3 1296 0.201 30.498 4.473 1.00 0.00 WAT1 ATOM 5395 H2 TIP3 1296 -0.060 31.440 3.281 1.00 0.00 WAT1 ATOM 5396 OH2 TIP3 1297 -11.398 21.648 19.179 1.00 0.00 WAT1 ATOM 5397 H1 TIP3 1297 -11.279 22.547 19.569 1.00 0.00 WAT1 ATOM 5398 H2 TIP3 1297 -12.267 21.372 19.490 1.00 0.00 WAT1 ATOM 5399 OH2 TIP3 1298 0.958 32.863 8.302 1.00 0.00 WAT1 ATOM 5400 H1 TIP3 1298 0.786 33.037 7.357 1.00 0.00 WAT1 ATOM 5401 H2 TIP3 1298 1.570 33.570 8.563 1.00 0.00 WAT1 ATOM 5402 OH2 TIP3 1299 -3.958 20.759 12.933 1.00 0.00 WAT1 ATOM 5403 H1 TIP3 1299 -3.124 20.325 13.194 1.00 0.00 WAT1 ATOM 5404 H2 TIP3 1299 -3.670 21.625 12.569 1.00 0.00 WAT1 ATOM 5405 OH2 TIP3 1300 -4.066 27.249 9.862 1.00 0.00 WAT1 ATOM 5406 H1 TIP3 1300 -3.129 26.995 10.028 1.00 0.00 WAT1 ATOM 5407 H2 TIP3 1300 -4.230 27.972 10.505 1.00 0.00 WAT1 ATOM 5408 OH2 TIP3 1301 -5.976 19.505 11.708 1.00 0.00 WAT1 ATOM 5409 H1 TIP3 1301 -5.986 18.614 12.138 1.00 0.00 WAT1 ATOM 5410 H2 TIP3 1301 -5.245 19.985 12.173 1.00 0.00 WAT1 ATOM 5411 OH2 TIP3 1302 -10.649 33.673 15.190 1.00 0.00 WAT1 ATOM 5412 H1 TIP3 1302 -11.132 34.458 14.861 1.00 0.00 WAT1 ATOM 5413 H2 TIP3 1302 -11.076 33.463 16.023 1.00 0.00 WAT1 ATOM 5414 OH2 TIP3 1303 0.975 33.638 5.584 1.00 0.00 WAT1 ATOM 5415 H1 TIP3 1303 0.815 32.812 5.063 1.00 0.00 WAT1 ATOM 5416 H2 TIP3 1303 0.477 34.328 5.089 1.00 0.00 WAT1 ATOM 5417 OH2 TIP3 1304 -5.035 28.886 7.629 1.00 0.00 WAT1 ATOM 5418 H1 TIP3 1304 -4.562 29.347 6.902 1.00 0.00 WAT1 ATOM 5419 H2 TIP3 1304 -4.348 28.350 8.058 1.00 0.00 WAT1 ATOM 5420 OH2 TIP3 1305 -0.189 28.773 4.795 1.00 0.00 WAT1 ATOM 5421 H1 TIP3 1305 -0.696 27.952 4.913 1.00 0.00 WAT1 ATOM 5422 H2 TIP3 1305 0.739 28.510 4.973 1.00 0.00 WAT1 ATOM 5423 OH2 TIP3 1306 -12.356 36.837 10.885 1.00 0.00 WAT1 ATOM 5424 H1 TIP3 1306 -11.533 36.847 11.417 1.00 0.00 WAT1 ATOM 5425 H2 TIP3 1306 -13.052 36.583 11.528 1.00 0.00 WAT1 ATOM 5426 OH2 TIP3 1307 -10.149 36.962 12.522 1.00 0.00 WAT1 ATOM 5427 H1 TIP3 1307 -9.944 37.880 12.245 1.00 0.00 WAT1 ATOM 5428 H2 TIP3 1307 -9.365 36.451 12.232 1.00 0.00 WAT1 ATOM 5429 OH2 TIP3 1308 -10.815 28.186 16.468 1.00 0.00 WAT1 ATOM 5430 H1 TIP3 1308 -10.281 27.432 16.149 1.00 0.00 WAT1 ATOM 5431 H2 TIP3 1308 -10.662 28.878 15.819 1.00 0.00 WAT1 ATOM 5432 OH2 TIP3 1309 0.119 18.183 5.999 1.00 0.00 WAT1 ATOM 5433 H1 TIP3 1309 0.703 18.888 6.367 1.00 0.00 WAT1 ATOM 5434 H2 TIP3 1309 0.733 17.505 5.692 1.00 0.00 WAT1 ATOM 5435 OH2 TIP3 1310 -13.057 24.346 16.407 1.00 0.00 WAT1 ATOM 5436 H1 TIP3 1310 -12.421 23.602 16.367 1.00 0.00 WAT1 ATOM 5437 H2 TIP3 1310 -12.625 24.998 16.996 1.00 0.00 WAT1 ATOM 5438 OH2 TIP3 1311 -8.398 16.228 21.768 1.00 0.00 WAT1 ATOM 5439 H1 TIP3 1311 -8.908 15.873 22.527 1.00 0.00 WAT1 ATOM 5440 H2 TIP3 1311 -9.065 16.715 21.241 1.00 0.00 WAT1 ATOM 5441 OH2 TIP3 1312 -10.660 15.775 14.004 1.00 0.00 WAT1 ATOM 5442 H1 TIP3 1312 -9.688 15.725 14.119 1.00 0.00 WAT1 ATOM 5443 H2 TIP3 1312 -10.778 16.435 13.287 1.00 0.00 WAT1 ATOM 5444 OH2 TIP3 1313 -8.546 18.383 10.913 1.00 0.00 WAT1 ATOM 5445 H1 TIP3 1313 -7.626 18.523 11.182 1.00 0.00 WAT1 ATOM 5446 H2 TIP3 1313 -8.810 19.234 10.517 1.00 0.00 WAT1 ATOM 5447 OH2 TIP3 1314 0.903 22.684 11.137 1.00 0.00 WAT1 ATOM 5448 H1 TIP3 1314 1.759 23.110 11.259 1.00 0.00 WAT1 ATOM 5449 H2 TIP3 1314 0.700 22.293 12.024 1.00 0.00 WAT1 ATOM 5450 OH2 TIP3 1315 -4.660 18.443 9.519 1.00 0.00 WAT1 ATOM 5451 H1 TIP3 1315 -5.114 18.901 10.255 1.00 0.00 WAT1 ATOM 5452 H2 TIP3 1315 -3.997 17.879 9.960 1.00 0.00 WAT1 ATOM 5453 OH2 TIP3 1316 -7.854 37.710 -13.212 1.00 0.00 WAT1 ATOM 5454 H1 TIP3 1316 -7.683 37.768 -12.241 1.00 0.00 WAT1 ATOM 5455 H2 TIP3 1316 -7.903 38.644 -13.500 1.00 0.00 WAT1 ATOM 5456 OH2 TIP3 1317 -3.107 38.276 -12.373 1.00 0.00 WAT1 ATOM 5457 H1 TIP3 1317 -3.624 38.006 -13.159 1.00 0.00 WAT1 ATOM 5458 H2 TIP3 1317 -2.224 37.852 -12.505 1.00 0.00 WAT1 ATOM 5459 OH2 TIP3 1318 -9.881 41.134 -15.118 1.00 0.00 WAT1 ATOM 5460 H1 TIP3 1318 -9.589 41.843 -15.697 1.00 0.00 WAT1 ATOM 5461 H2 TIP3 1318 -9.049 40.773 -14.739 1.00 0.00 WAT1 ATOM 5462 OH2 TIP3 1319 -8.761 45.163 -8.565 1.00 0.00 WAT1 ATOM 5463 H1 TIP3 1319 -7.840 45.388 -8.329 1.00 0.00 WAT1 ATOM 5464 H2 TIP3 1319 -9.253 45.262 -7.716 1.00 0.00 WAT1 ATOM 5465 OH2 TIP3 1320 -6.810 41.373 -11.476 1.00 0.00 WAT1 ATOM 5466 H1 TIP3 1320 -6.977 41.374 -10.522 1.00 0.00 WAT1 ATOM 5467 H2 TIP3 1320 -5.846 41.195 -11.547 1.00 0.00 WAT1 ATOM 5468 OH2 TIP3 1321 -4.964 40.433 -14.915 1.00 0.00 WAT1 ATOM 5469 H1 TIP3 1321 -4.314 40.731 -14.260 1.00 0.00 WAT1 ATOM 5470 H2 TIP3 1321 -4.671 40.834 -15.743 1.00 0.00 WAT1 ATOM 5471 OH2 TIP3 1322 -7.545 40.385 -13.900 1.00 0.00 WAT1 ATOM 5472 H1 TIP3 1322 -6.677 40.437 -14.349 1.00 0.00 WAT1 ATOM 5473 H2 TIP3 1322 -7.367 40.733 -12.994 1.00 0.00 WAT1 ATOM 5474 OH2 TIP3 1323 -5.156 37.779 -14.184 1.00 0.00 WAT1 ATOM 5475 H1 TIP3 1323 -5.211 38.666 -14.591 1.00 0.00 WAT1 ATOM 5476 H2 TIP3 1323 -6.085 37.559 -13.965 1.00 0.00 WAT1 ATOM 5477 OH2 TIP3 1324 -4.074 40.726 -11.486 1.00 0.00 WAT1 ATOM 5478 H1 TIP3 1324 -3.746 39.839 -11.744 1.00 0.00 WAT1 ATOM 5479 H2 TIP3 1324 -3.439 41.030 -10.822 1.00 0.00 WAT1 ATOM 5480 OH2 TIP3 1325 -11.313 40.293 -12.939 1.00 0.00 WAT1 ATOM 5481 H1 TIP3 1325 -10.952 40.858 -12.231 1.00 0.00 WAT1 ATOM 5482 H2 TIP3 1325 -10.877 40.626 -13.755 1.00 0.00 WAT1 ATOM 5483 OH2 TIP3 1326 -4.434 37.544 -10.072 1.00 0.00 WAT1 ATOM 5484 H1 TIP3 1326 -4.059 38.121 -9.365 1.00 0.00 WAT1 ATOM 5485 H2 TIP3 1326 -3.898 37.760 -10.862 1.00 0.00 WAT1 ATOM 5486 OH2 TIP3 1327 -10.891 44.519 -10.445 1.00 0.00 WAT1 ATOM 5487 H1 TIP3 1327 -10.150 44.827 -9.885 1.00 0.00 WAT1 ATOM 5488 H2 TIP3 1327 -10.582 43.661 -10.800 1.00 0.00 WAT1 ATOM 5489 OH2 TIP3 1328 5.701 33.372 -8.209 1.00 0.00 WAT1 ATOM 5490 H1 TIP3 1328 5.391 33.143 -9.107 1.00 0.00 WAT1 ATOM 5491 H2 TIP3 1328 5.762 32.521 -7.752 1.00 0.00 WAT1 ATOM 5492 OH2 TIP3 1329 -14.998 37.584 -17.629 1.00 0.00 WAT1 ATOM 5493 H1 TIP3 1329 -14.511 37.963 -16.871 1.00 0.00 WAT1 ATOM 5494 H2 TIP3 1329 -15.885 37.964 -17.551 1.00 0.00 WAT1 ATOM 5495 OH2 TIP3 1330 0.655 35.189 -11.022 1.00 0.00 WAT1 ATOM 5496 H1 TIP3 1330 0.358 35.152 -10.085 1.00 0.00 WAT1 ATOM 5497 H2 TIP3 1330 0.998 34.288 -11.200 1.00 0.00 WAT1 ATOM 5498 OH2 TIP3 1331 -0.975 45.085 -2.363 1.00 0.00 WAT1 ATOM 5499 H1 TIP3 1331 -1.106 45.579 -3.183 1.00 0.00 WAT1 ATOM 5500 H2 TIP3 1331 -0.101 44.639 -2.488 1.00 0.00 WAT1 ATOM 5501 OH2 TIP3 1332 -3.707 47.441 -2.534 1.00 0.00 WAT1 ATOM 5502 H1 TIP3 1332 -3.033 47.045 -1.971 1.00 0.00 WAT1 ATOM 5503 H2 TIP3 1332 -4.550 47.096 -2.177 1.00 0.00 WAT1 ATOM 5504 OH2 TIP3 1333 -6.219 46.535 -1.614 1.00 0.00 WAT1 ATOM 5505 H1 TIP3 1333 -6.383 46.929 -0.728 1.00 0.00 WAT1 ATOM 5506 H2 TIP3 1333 -6.943 46.887 -2.166 1.00 0.00 WAT1 ATOM 5507 OH2 TIP3 1334 -1.885 42.348 -2.780 1.00 0.00 WAT1 ATOM 5508 H1 TIP3 1334 -1.154 41.862 -2.344 1.00 0.00 WAT1 ATOM 5509 H2 TIP3 1334 -1.657 43.289 -2.647 1.00 0.00 WAT1 ATOM 5510 OH2 TIP3 1335 1.122 43.508 -2.944 1.00 0.00 WAT1 ATOM 5511 H1 TIP3 1335 1.014 42.718 -2.378 1.00 0.00 WAT1 ATOM 5512 H2 TIP3 1335 1.415 43.144 -3.808 1.00 0.00 WAT1 ATOM 5513 OH2 TIP3 1336 -6.019 43.823 -1.902 1.00 0.00 WAT1 ATOM 5514 H1 TIP3 1336 -6.240 43.504 -1.018 1.00 0.00 WAT1 ATOM 5515 H2 TIP3 1336 -5.966 44.802 -1.798 1.00 0.00 WAT1 ATOM 5516 OH2 TIP3 1337 0.360 41.363 -1.397 1.00 0.00 WAT1 ATOM 5517 H1 TIP3 1337 0.878 40.570 -1.208 1.00 0.00 WAT1 ATOM 5518 H2 TIP3 1337 0.041 41.660 -0.513 1.00 0.00 WAT1 ATOM 5519 OH2 TIP3 1338 -8.676 47.065 -3.016 1.00 0.00 WAT1 ATOM 5520 H1 TIP3 1338 -9.546 47.089 -3.488 1.00 0.00 WAT1 ATOM 5521 H2 TIP3 1338 -8.761 47.765 -2.324 1.00 0.00 WAT1 ATOM 5522 OH2 TIP3 1339 0.397 39.618 1.559 1.00 0.00 WAT1 ATOM 5523 H1 TIP3 1339 -0.037 40.447 1.275 1.00 0.00 WAT1 ATOM 5524 H2 TIP3 1339 0.232 39.587 2.532 1.00 0.00 WAT1 ATOM 5525 OH2 TIP3 1340 0.578 46.762 2.410 1.00 0.00 WAT1 ATOM 5526 H1 TIP3 1340 -0.056 46.635 1.678 1.00 0.00 WAT1 ATOM 5527 H2 TIP3 1340 1.279 47.296 2.025 1.00 0.00 WAT1 ATOM 5528 OH2 TIP3 1341 -7.951 44.558 -3.929 1.00 0.00 WAT1 ATOM 5529 H1 TIP3 1341 -7.302 44.137 -3.337 1.00 0.00 WAT1 ATOM 5530 H2 TIP3 1341 -8.188 45.388 -3.471 1.00 0.00 WAT1 ATOM 5531 OH2 TIP3 1342 -5.499 49.088 -3.986 1.00 0.00 WAT1 ATOM 5532 H1 TIP3 1342 -4.720 48.624 -3.611 1.00 0.00 WAT1 ATOM 5533 H2 TIP3 1342 -5.123 49.708 -4.628 1.00 0.00 WAT1 ATOM 5534 OH2 TIP3 1343 -5.884 48.688 3.121 1.00 0.00 WAT1 ATOM 5535 H1 TIP3 1343 -6.555 49.404 3.157 1.00 0.00 WAT1 ATOM 5536 H2 TIP3 1343 -5.200 49.039 2.512 1.00 0.00 WAT1 ATOM 5537 OH2 TIP3 1344 -7.286 51.048 2.775 1.00 0.00 WAT1 ATOM 5538 H1 TIP3 1344 -7.322 51.480 3.654 1.00 0.00 WAT1 ATOM 5539 H2 TIP3 1344 -8.137 51.284 2.364 1.00 0.00 WAT1 ATOM 5540 OH2 TIP3 1345 3.437 34.084 -4.204 1.00 0.00 WAT1 ATOM 5541 H1 TIP3 1345 3.503 34.323 -5.153 1.00 0.00 WAT1 ATOM 5542 H2 TIP3 1345 2.566 33.633 -4.135 1.00 0.00 WAT1 ATOM 5543 OH2 TIP3 1346 -4.859 43.256 -6.343 1.00 0.00 WAT1 ATOM 5544 H1 TIP3 1346 -4.768 43.104 -5.378 1.00 0.00 WAT1 ATOM 5545 H2 TIP3 1346 -5.363 44.097 -6.411 1.00 0.00 WAT1 ATOM 5546 OH2 TIP3 1347 -11.947 47.095 1.010 1.00 0.00 WAT1 ATOM 5547 H1 TIP3 1347 -11.382 46.277 1.006 1.00 0.00 WAT1 ATOM 5548 H2 TIP3 1347 -12.585 46.950 0.280 1.00 0.00 WAT1 ATOM 5549 OH2 TIP3 1348 -17.526 50.768 -5.606 1.00 0.00 WAT1 ATOM 5550 H1 TIP3 1348 -16.723 50.570 -6.147 1.00 0.00 WAT1 ATOM 5551 H2 TIP3 1348 -17.928 51.549 -6.056 1.00 0.00 WAT1 ATOM 5552 OH2 TIP3 1349 -3.510 47.723 1.035 1.00 0.00 WAT1 ATOM 5553 H1 TIP3 1349 -3.758 48.639 0.802 1.00 0.00 WAT1 ATOM 5554 H2 TIP3 1349 -2.613 47.614 0.669 1.00 0.00 WAT1 ATOM 5555 OH2 TIP3 1350 -9.067 52.068 -5.451 1.00 0.00 WAT1 ATOM 5556 H1 TIP3 1350 -9.355 51.310 -4.910 1.00 0.00 WAT1 ATOM 5557 H2 TIP3 1350 -9.780 52.170 -6.109 1.00 0.00 WAT1 ATOM 5558 OH2 TIP3 1351 0.350 45.723 4.950 1.00 0.00 WAT1 ATOM 5559 H1 TIP3 1351 -0.632 45.823 4.917 1.00 0.00 WAT1 ATOM 5560 H2 TIP3 1351 0.663 46.229 4.166 1.00 0.00 WAT1 ATOM 5561 OH2 TIP3 1352 -9.984 47.643 2.954 1.00 0.00 WAT1 ATOM 5562 H1 TIP3 1352 -9.408 46.880 2.720 1.00 0.00 WAT1 ATOM 5563 H2 TIP3 1352 -10.827 47.445 2.508 1.00 0.00 WAT1 ATOM 5564 OH2 TIP3 1353 -0.022 39.591 4.235 1.00 0.00 WAT1 ATOM 5565 H1 TIP3 1353 -0.800 39.882 4.762 1.00 0.00 WAT1 ATOM 5566 H2 TIP3 1353 0.241 38.738 4.650 1.00 0.00 WAT1 ATOM 5567 OH2 TIP3 1354 -3.174 39.270 -8.335 1.00 0.00 WAT1 ATOM 5568 H1 TIP3 1354 -2.814 38.945 -7.487 1.00 0.00 WAT1 ATOM 5569 H2 TIP3 1354 -3.111 40.244 -8.261 1.00 0.00 WAT1 ATOM 5570 OH2 TIP3 1355 -1.060 41.090 -5.222 1.00 0.00 WAT1 ATOM 5571 H1 TIP3 1355 -1.561 41.414 -4.448 1.00 0.00 WAT1 ATOM 5572 H2 TIP3 1355 -1.516 40.253 -5.471 1.00 0.00 WAT1 ATOM 5573 OH2 TIP3 1356 -4.514 46.236 3.027 1.00 0.00 WAT1 ATOM 5574 H1 TIP3 1356 -4.133 46.618 2.195 1.00 0.00 WAT1 ATOM 5575 H2 TIP3 1356 -5.120 46.937 3.346 1.00 0.00 WAT1 ATOM 5576 OH2 TIP3 1357 -0.760 43.130 -7.070 1.00 0.00 WAT1 ATOM 5577 H1 TIP3 1357 -0.944 42.405 -6.441 1.00 0.00 WAT1 ATOM 5578 H2 TIP3 1357 0.161 43.362 -6.898 1.00 0.00 WAT1 ATOM 5579 OH2 TIP3 1358 -7.390 39.406 -8.175 1.00 0.00 WAT1 ATOM 5580 H1 TIP3 1358 -6.870 40.232 -8.170 1.00 0.00 WAT1 ATOM 5581 H2 TIP3 1358 -7.815 39.389 -7.296 1.00 0.00 WAT1 ATOM 5582 OH2 TIP3 1359 -1.186 46.316 0.168 1.00 0.00 WAT1 ATOM 5583 H1 TIP3 1359 -1.604 45.594 0.686 1.00 0.00 WAT1 ATOM 5584 H2 TIP3 1359 -1.015 45.913 -0.708 1.00 0.00 WAT1 ATOM 5585 OH2 TIP3 1360 -5.941 41.762 -8.354 1.00 0.00 WAT1 ATOM 5586 H1 TIP3 1360 -5.082 41.487 -8.717 1.00 0.00 WAT1 ATOM 5587 H2 TIP3 1360 -5.702 42.359 -7.608 1.00 0.00 WAT1 ATOM 5588 OH2 TIP3 1361 -9.745 42.025 -11.170 1.00 0.00 WAT1 ATOM 5589 H1 TIP3 1361 -9.505 42.023 -10.216 1.00 0.00 WAT1 ATOM 5590 H2 TIP3 1361 -8.907 41.838 -11.622 1.00 0.00 WAT1 ATOM 5591 OH2 TIP3 1362 -4.502 42.423 -3.725 1.00 0.00 WAT1 ATOM 5592 H1 TIP3 1362 -3.600 42.383 -3.338 1.00 0.00 WAT1 ATOM 5593 H2 TIP3 1362 -5.039 42.875 -3.037 1.00 0.00 WAT1 ATOM 5594 OH2 TIP3 1363 -6.072 48.156 6.142 1.00 0.00 WAT1 ATOM 5595 H1 TIP3 1363 -6.630 47.543 5.621 1.00 0.00 WAT1 ATOM 5596 H2 TIP3 1363 -5.691 48.746 5.479 1.00 0.00 WAT1 ATOM 5597 OH2 TIP3 1364 -6.073 44.111 3.880 1.00 0.00 WAT1 ATOM 5598 H1 TIP3 1364 -6.828 44.141 3.266 1.00 0.00 WAT1 ATOM 5599 H2 TIP3 1364 -5.412 44.709 3.472 1.00 0.00 WAT1 ATOM 5600 OH2 TIP3 1365 -6.017 49.728 -7.098 1.00 0.00 WAT1 ATOM 5601 H1 TIP3 1365 -6.013 50.615 -6.673 1.00 0.00 WAT1 ATOM 5602 H2 TIP3 1365 -6.957 49.569 -7.301 1.00 0.00 WAT1 ATOM 5603 OH2 TIP3 1366 -9.674 45.317 -6.030 1.00 0.00 WAT1 ATOM 5604 H1 TIP3 1366 -9.032 45.058 -5.342 1.00 0.00 WAT1 ATOM 5605 H2 TIP3 1366 -10.219 46.012 -5.600 1.00 0.00 WAT1 ATOM 5606 OH2 TIP3 1367 -6.336 45.485 -7.073 1.00 0.00 WAT1 ATOM 5607 H1 TIP3 1367 -5.667 46.085 -7.478 1.00 0.00 WAT1 ATOM 5608 H2 TIP3 1367 -6.790 46.051 -6.411 1.00 0.00 WAT1 ATOM 5609 OH2 TIP3 1368 -7.080 47.389 0.877 1.00 0.00 WAT1 ATOM 5610 H1 TIP3 1368 -7.551 46.694 1.395 1.00 0.00 WAT1 ATOM 5611 H2 TIP3 1368 -6.597 47.900 1.554 1.00 0.00 WAT1 ATOM 5612 OH2 TIP3 1369 -2.320 45.970 4.673 1.00 0.00 WAT1 ATOM 5613 H1 TIP3 1369 -2.678 45.826 5.571 1.00 0.00 WAT1 ATOM 5614 H2 TIP3 1369 -3.100 46.215 4.141 1.00 0.00 WAT1 ATOM 5615 OH2 TIP3 1370 -10.657 49.487 0.830 1.00 0.00 WAT1 ATOM 5616 H1 TIP3 1370 -10.234 49.410 1.700 1.00 0.00 WAT1 ATOM 5617 H2 TIP3 1370 -11.260 48.714 0.791 1.00 0.00 WAT1 ATOM 5618 OH2 TIP3 1371 -7.264 47.390 -5.348 1.00 0.00 WAT1 ATOM 5619 H1 TIP3 1371 -7.744 47.248 -4.510 1.00 0.00 WAT1 ATOM 5620 H2 TIP3 1371 -6.563 48.033 -5.113 1.00 0.00 WAT1 ATOM 5621 OH2 TIP3 1372 2.129 36.577 -7.739 1.00 0.00 WAT1 ATOM 5622 H1 TIP3 1372 1.297 36.125 -7.979 1.00 0.00 WAT1 ATOM 5623 H2 TIP3 1372 1.883 37.133 -6.964 1.00 0.00 WAT1 ATOM 5624 OH2 TIP3 1373 -4.711 39.910 -4.956 1.00 0.00 WAT1 ATOM 5625 H1 TIP3 1373 -5.605 39.832 -5.313 1.00 0.00 WAT1 ATOM 5626 H2 TIP3 1373 -4.706 40.780 -4.505 1.00 0.00 WAT1 ATOM 5627 OH2 TIP3 1374 -2.387 38.759 -5.673 1.00 0.00 WAT1 ATOM 5628 H1 TIP3 1374 -3.295 39.061 -5.418 1.00 0.00 WAT1 ATOM 5629 H2 TIP3 1374 -2.270 37.922 -5.192 1.00 0.00 WAT1 ATOM 5630 OH2 TIP3 1375 1.664 41.685 4.584 1.00 0.00 WAT1 ATOM 5631 H1 TIP3 1375 1.057 40.923 4.435 1.00 0.00 WAT1 ATOM 5632 H2 TIP3 1375 2.458 41.281 4.962 1.00 0.00 WAT1 ATOM 5633 OH2 TIP3 1376 1.494 42.025 -5.225 1.00 0.00 WAT1 ATOM 5634 H1 TIP3 1376 0.592 41.635 -5.216 1.00 0.00 WAT1 ATOM 5635 H2 TIP3 1376 2.074 41.274 -5.380 1.00 0.00 WAT1 ATOM 5636 OH2 TIP3 1377 -8.808 48.942 -6.965 1.00 0.00 WAT1 ATOM 5637 H1 TIP3 1377 -9.240 49.402 -6.215 1.00 0.00 WAT1 ATOM 5638 H2 TIP3 1377 -8.287 48.229 -6.538 1.00 0.00 WAT1 ATOM 5639 OH2 TIP3 1378 -8.544 42.462 -8.738 1.00 0.00 WAT1 ATOM 5640 H1 TIP3 1378 -7.589 42.296 -8.592 1.00 0.00 WAT1 ATOM 5641 H2 TIP3 1378 -8.629 43.438 -8.684 1.00 0.00 WAT1 ATOM 5642 OH2 TIP3 1379 -6.330 52.072 -5.727 1.00 0.00 WAT1 ATOM 5643 H1 TIP3 1379 -7.310 52.075 -5.618 1.00 0.00 WAT1 ATOM 5644 H2 TIP3 1379 -6.065 52.962 -5.483 1.00 0.00 WAT1 ATOM 5645 OH2 TIP3 1380 -12.647 46.725 5.583 1.00 0.00 WAT1 ATOM 5646 H1 TIP3 1380 -12.484 46.233 4.755 1.00 0.00 WAT1 ATOM 5647 H2 TIP3 1380 -13.598 46.882 5.580 1.00 0.00 WAT1 ATOM 5648 OH2 TIP3 1381 -7.540 46.222 4.894 1.00 0.00 WAT1 ATOM 5649 H1 TIP3 1381 -8.009 46.214 4.027 1.00 0.00 WAT1 ATOM 5650 H2 TIP3 1381 -6.932 45.460 4.838 1.00 0.00 WAT1 ATOM 5651 OH2 TIP3 1382 -4.677 47.476 -7.890 1.00 0.00 WAT1 ATOM 5652 H1 TIP3 1382 -5.146 48.287 -7.585 1.00 0.00 WAT1 ATOM 5653 H2 TIP3 1382 -3.940 47.811 -8.404 1.00 0.00 WAT1 ATOM 5654 OH2 TIP3 1383 -3.105 42.030 -8.106 1.00 0.00 WAT1 ATOM 5655 H1 TIP3 1383 -2.231 42.463 -8.006 1.00 0.00 WAT1 ATOM 5656 H2 TIP3 1383 -3.679 42.509 -7.469 1.00 0.00 WAT1 ATOM 5657 OH2 TIP3 1384 -2.317 44.412 1.845 1.00 0.00 WAT1 ATOM 5658 H1 TIP3 1384 -2.969 44.892 2.380 1.00 0.00 WAT1 ATOM 5659 H2 TIP3 1384 -1.655 44.100 2.496 1.00 0.00 WAT1 ATOM 5660 OH2 TIP3 1385 -1.807 43.009 6.489 1.00 0.00 WAT1 ATOM 5661 H1 TIP3 1385 -1.899 42.158 6.007 1.00 0.00 WAT1 ATOM 5662 H2 TIP3 1385 -0.838 43.155 6.533 1.00 0.00 WAT1 ATOM 5663 OH2 TIP3 1386 -2.147 40.354 5.816 1.00 0.00 WAT1 ATOM 5664 H1 TIP3 1386 -2.663 39.591 5.467 1.00 0.00 WAT1 ATOM 5665 H2 TIP3 1386 -2.293 40.319 6.782 1.00 0.00 WAT1 ATOM 5666 OH2 TIP3 1387 -13.438 47.233 -7.232 1.00 0.00 WAT1 ATOM 5667 H1 TIP3 1387 -13.227 47.014 -6.296 1.00 0.00 WAT1 ATOM 5668 H2 TIP3 1387 -12.705 47.823 -7.509 1.00 0.00 WAT1 ATOM 5669 OH2 TIP3 1388 -11.444 51.420 -6.971 1.00 0.00 WAT1 ATOM 5670 H1 TIP3 1388 -12.366 51.526 -6.722 1.00 0.00 WAT1 ATOM 5671 H2 TIP3 1388 -11.418 50.561 -7.433 1.00 0.00 WAT1 ATOM 5672 OH2 TIP3 1389 -10.379 49.678 -4.811 1.00 0.00 WAT1 ATOM 5673 H1 TIP3 1389 -11.239 50.080 -5.021 1.00 0.00 WAT1 ATOM 5674 H2 TIP3 1389 -10.594 48.731 -4.635 1.00 0.00 WAT1 ATOM 5675 OH2 TIP3 1390 -0.659 42.123 1.009 1.00 0.00 WAT1 ATOM 5676 H1 TIP3 1390 -1.510 42.568 0.857 1.00 0.00 WAT1 ATOM 5677 H2 TIP3 1390 -0.281 42.599 1.784 1.00 0.00 WAT1 ATOM 5678 OH2 TIP3 1391 -0.086 43.492 3.293 1.00 0.00 WAT1 ATOM 5679 H1 TIP3 1391 0.550 42.866 3.700 1.00 0.00 WAT1 ATOM 5680 H2 TIP3 1391 0.095 44.340 3.743 1.00 0.00 WAT1 ATOM 5681 OH2 TIP3 1392 -1.325 36.846 -3.842 1.00 0.00 WAT1 ATOM 5682 H1 TIP3 1392 -1.313 37.607 -3.250 1.00 0.00 WAT1 ATOM 5683 H2 TIP3 1392 -0.829 36.152 -3.349 1.00 0.00 WAT1 ATOM 5684 OH2 TIP3 1393 -8.017 52.134 5.232 1.00 0.00 WAT1 ATOM 5685 H1 TIP3 1393 -7.887 52.804 5.910 1.00 0.00 WAT1 ATOM 5686 H2 TIP3 1393 -8.180 51.303 5.745 1.00 0.00 WAT1 ATOM 5687 OH2 TIP3 1394 -5.012 50.173 0.999 1.00 0.00 WAT1 ATOM 5688 H1 TIP3 1394 -5.607 50.797 1.450 1.00 0.00 WAT1 ATOM 5689 H2 TIP3 1394 -5.346 50.153 0.071 1.00 0.00 WAT1 ATOM 5690 OH2 TIP3 1395 3.173 36.502 3.993 1.00 0.00 WAT1 ATOM 5691 H1 TIP3 1395 3.369 35.710 3.462 1.00 0.00 WAT1 ATOM 5692 H2 TIP3 1395 3.083 37.220 3.321 1.00 0.00 WAT1 ATOM 5693 OH2 TIP3 1396 -11.829 51.985 0.953 1.00 0.00 WAT1 ATOM 5694 H1 TIP3 1396 -11.395 51.133 0.754 1.00 0.00 WAT1 ATOM 5695 H2 TIP3 1396 -11.268 52.379 1.645 1.00 0.00 WAT1 ATOM 5696 OH2 TIP3 1397 -8.652 48.763 -0.900 1.00 0.00 WAT1 ATOM 5697 H1 TIP3 1397 -8.164 48.308 -0.179 1.00 0.00 WAT1 ATOM 5698 H2 TIP3 1397 -9.427 49.165 -0.448 1.00 0.00 WAT1 ATOM 5699 OH2 TIP3 1398 -6.242 50.006 -1.445 1.00 0.00 WAT1 ATOM 5700 H1 TIP3 1398 -6.038 49.818 -2.382 1.00 0.00 WAT1 ATOM 5701 H2 TIP3 1398 -7.175 49.734 -1.346 1.00 0.00 WAT1 ATOM 5702 OH2 TIP3 1399 1.821 37.200 -2.885 1.00 0.00 WAT1 ATOM 5703 H1 TIP3 1399 1.283 36.407 -2.682 1.00 0.00 WAT1 ATOM 5704 H2 TIP3 1399 2.714 36.970 -2.555 1.00 0.00 WAT1 ATOM 5705 OH2 TIP3 1400 7.005 41.087 -6.462 1.00 0.00 WAT1 ATOM 5706 H1 TIP3 1400 6.105 40.851 -6.691 1.00 0.00 WAT1 ATOM 5707 H2 TIP3 1400 7.488 40.260 -6.500 1.00 0.00 WAT1 ATOM 5708 OH2 TIP3 1401 0.165 35.058 -2.293 1.00 0.00 WAT1 ATOM 5709 H1 TIP3 1401 -0.026 34.995 -1.348 1.00 0.00 WAT1 ATOM 5710 H2 TIP3 1401 0.410 34.137 -2.550 1.00 0.00 WAT1 ATOM 5711 OH2 TIP3 1402 2.996 33.732 -0.937 1.00 0.00 WAT1 ATOM 5712 H1 TIP3 1402 3.653 33.016 -1.047 1.00 0.00 WAT1 ATOM 5713 H2 TIP3 1402 2.191 33.384 -1.387 1.00 0.00 WAT1 ATOM 5714 OH2 TIP3 1403 -11.292 48.824 -8.132 1.00 0.00 WAT1 ATOM 5715 H1 TIP3 1403 -11.119 48.645 -9.063 1.00 0.00 WAT1 ATOM 5716 H2 TIP3 1403 -10.404 48.769 -7.710 1.00 0.00 WAT1 ATOM 5717 OH2 TIP3 1404 1.120 37.809 -5.498 1.00 0.00 WAT1 ATOM 5718 H1 TIP3 1404 0.167 37.821 -5.349 1.00 0.00 WAT1 ATOM 5719 H2 TIP3 1404 1.500 37.643 -4.607 1.00 0.00 WAT1 ATOM 5720 OH2 TIP3 1405 1.914 39.338 6.951 1.00 0.00 WAT1 ATOM 5721 H1 TIP3 1405 1.358 38.653 6.528 1.00 0.00 WAT1 ATOM 5722 H2 TIP3 1405 2.757 38.884 7.117 1.00 0.00 WAT1 ATOM 5723 OH2 TIP3 1406 -11.459 45.998 13.951 1.00 0.00 WAT1 ATOM 5724 H1 TIP3 1406 -12.256 46.157 14.462 1.00 0.00 WAT1 ATOM 5725 H2 TIP3 1406 -11.787 45.770 13.055 1.00 0.00 WAT1 ATOM 5726 OH2 TIP3 1407 -3.058 45.270 7.209 1.00 0.00 WAT1 ATOM 5727 H1 TIP3 1407 -2.641 44.399 6.988 1.00 0.00 WAT1 ATOM 5728 H2 TIP3 1407 -2.315 45.793 7.593 1.00 0.00 WAT1 ATOM 5729 OH2 TIP3 1408 -9.003 45.365 14.947 1.00 0.00 WAT1 ATOM 5730 H1 TIP3 1408 -8.611 46.233 14.839 1.00 0.00 WAT1 ATOM 5731 H2 TIP3 1408 -9.923 45.474 14.616 1.00 0.00 WAT1 ATOM 5732 OH2 TIP3 1409 -8.093 42.800 14.844 1.00 0.00 WAT1 ATOM 5733 H1 TIP3 1409 -8.394 43.737 14.807 1.00 0.00 WAT1 ATOM 5734 H2 TIP3 1409 -7.889 42.657 15.770 1.00 0.00 WAT1 ATOM 5735 OH2 TIP3 1410 -10.148 41.947 8.947 1.00 0.00 WAT1 ATOM 5736 H1 TIP3 1410 -9.414 41.325 9.134 1.00 0.00 WAT1 ATOM 5737 H2 TIP3 1410 -9.732 42.819 8.993 1.00 0.00 WAT1 ATOM 5738 OH2 TIP3 1411 -7.977 43.636 10.186 1.00 0.00 WAT1 ATOM 5739 H1 TIP3 1411 -7.437 44.424 10.446 1.00 0.00 WAT1 ATOM 5740 H2 TIP3 1411 -8.727 43.642 10.819 1.00 0.00 WAT1 ATOM 5741 OH2 TIP3 1412 -5.232 41.188 8.257 1.00 0.00 WAT1 ATOM 5742 H1 TIP3 1412 -4.314 40.993 8.530 1.00 0.00 WAT1 ATOM 5743 H2 TIP3 1412 -5.141 41.931 7.630 1.00 0.00 WAT1 ATOM 5744 OH2 TIP3 1413 -9.021 39.266 11.295 1.00 0.00 WAT1 ATOM 5745 H1 TIP3 1413 -9.206 39.965 11.968 1.00 0.00 WAT1 ATOM 5746 H2 TIP3 1413 -8.536 39.742 10.591 1.00 0.00 WAT1 ATOM 5747 OH2 TIP3 1414 0.342 41.232 8.237 1.00 0.00 WAT1 ATOM 5748 H1 TIP3 1414 0.684 42.047 7.834 1.00 0.00 WAT1 ATOM 5749 H2 TIP3 1414 0.919 40.526 7.876 1.00 0.00 WAT1 ATOM 5750 OH2 TIP3 1415 -8.307 49.928 6.785 1.00 0.00 WAT1 ATOM 5751 H1 TIP3 1415 -9.143 49.424 6.846 1.00 0.00 WAT1 ATOM 5752 H2 TIP3 1415 -7.616 49.264 6.938 1.00 0.00 WAT1 ATOM 5753 OH2 TIP3 1416 -6.496 45.853 10.523 1.00 0.00 WAT1 ATOM 5754 H1 TIP3 1416 -6.059 46.346 11.221 1.00 0.00 WAT1 ATOM 5755 H2 TIP3 1416 -6.064 46.173 9.694 1.00 0.00 WAT1 ATOM 5756 OH2 TIP3 1417 -0.558 46.237 7.718 1.00 0.00 WAT1 ATOM 5757 H1 TIP3 1417 -0.082 46.258 6.872 1.00 0.00 WAT1 ATOM 5758 H2 TIP3 1417 0.095 45.917 8.350 1.00 0.00 WAT1 ATOM 5759 OH2 TIP3 1418 -2.414 41.179 8.485 1.00 0.00 WAT1 ATOM 5760 H1 TIP3 1418 -2.351 42.023 8.000 1.00 0.00 WAT1 ATOM 5761 H2 TIP3 1418 -1.490 40.995 8.754 1.00 0.00 WAT1 ATOM 5762 OH2 TIP3 1419 -3.163 36.605 14.053 1.00 0.00 WAT1 ATOM 5763 H1 TIP3 1419 -3.009 36.859 13.119 1.00 0.00 WAT1 ATOM 5764 H2 TIP3 1419 -3.311 37.441 14.502 1.00 0.00 WAT1 ATOM 5765 OH2 TIP3 1420 -7.652 40.990 9.568 1.00 0.00 WAT1 ATOM 5766 H1 TIP3 1420 -7.603 41.905 9.922 1.00 0.00 WAT1 ATOM 5767 H2 TIP3 1420 -6.765 40.842 9.169 1.00 0.00 WAT1 ATOM 5768 OH2 TIP3 1421 -5.203 46.679 8.313 1.00 0.00 WAT1 ATOM 5769 H1 TIP3 1421 -4.400 46.269 7.938 1.00 0.00 WAT1 ATOM 5770 H2 TIP3 1421 -5.508 47.293 7.612 1.00 0.00 WAT1 ATOM 5771 OH2 TIP3 1422 -8.760 46.572 7.305 1.00 0.00 WAT1 ATOM 5772 H1 TIP3 1422 -8.251 45.884 7.773 1.00 0.00 WAT1 ATOM 5773 H2 TIP3 1422 -8.288 46.681 6.457 1.00 0.00 WAT1 ATOM 5774 OH2 TIP3 1423 -7.456 44.162 7.566 1.00 0.00 WAT1 ATOM 5775 H1 TIP3 1423 -7.536 43.944 8.523 1.00 0.00 WAT1 ATOM 5776 H2 TIP3 1423 -6.519 43.960 7.352 1.00 0.00 WAT1 ATOM 5777 OH2 TIP3 1424 -5.068 43.428 6.526 1.00 0.00 WAT1 ATOM 5778 H1 TIP3 1424 -5.226 43.541 5.567 1.00 0.00 WAT1 ATOM 5779 H2 TIP3 1424 -4.391 44.101 6.740 1.00 0.00 WAT1 ATOM 5780 OH2 TIP3 1425 -10.700 49.879 4.285 1.00 0.00 WAT1 ATOM 5781 H1 TIP3 1425 -10.813 49.629 5.221 1.00 0.00 WAT1 ATOM 5782 H2 TIP3 1425 -10.370 49.059 3.860 1.00 0.00 WAT1 ATOM 5783 OH2 TIP3 1426 0.894 43.466 6.486 1.00 0.00 WAT1 ATOM 5784 H1 TIP3 1426 1.285 42.853 5.828 1.00 0.00 WAT1 ATOM 5785 H2 TIP3 1426 0.891 44.333 6.030 1.00 0.00 WAT1 ATOM 5786 OH2 TIP3 1427 -13.542 38.997 9.736 1.00 0.00 WAT1 ATOM 5787 H1 TIP3 1427 -14.361 38.844 10.253 1.00 0.00 WAT1 ATOM 5788 H2 TIP3 1427 -12.936 38.283 10.039 1.00 0.00 WAT1 ATOM 5789 OH2 TIP3 1428 -9.430 41.388 12.930 1.00 0.00 WAT1 ATOM 5790 H1 TIP3 1428 -8.864 41.777 13.633 1.00 0.00 WAT1 ATOM 5791 H2 TIP3 1428 -9.840 42.163 12.501 1.00 0.00 WAT1 ATOM 5792 OH2 TIP3 1429 -7.767 36.833 11.071 1.00 0.00 WAT1 ATOM 5793 H1 TIP3 1429 -6.890 36.971 10.660 1.00 0.00 WAT1 ATOM 5794 H2 TIP3 1429 -8.158 37.729 11.105 1.00 0.00 WAT1 ATOM 5795 OH2 TIP3 1430 -2.632 37.253 11.383 1.00 0.00 WAT1 ATOM 5796 H1 TIP3 1430 -2.508 36.277 11.284 1.00 0.00 WAT1 ATOM 5797 H2 TIP3 1430 -1.886 37.636 10.907 1.00 0.00 WAT1 ATOM 5798 OH2 TIP3 1431 -5.204 37.001 10.149 1.00 0.00 WAT1 ATOM 5799 H1 TIP3 1431 -4.332 37.311 10.464 1.00 0.00 WAT1 ATOM 5800 H2 TIP3 1431 -5.123 37.005 9.168 1.00 0.00 WAT1 ATOM 5801 OH2 TIP3 1432 3.756 27.855 -2.663 1.00 0.00 WAT1 ATOM 5802 H1 TIP3 1432 3.497 28.726 -2.991 1.00 0.00 WAT1 ATOM 5803 H2 TIP3 1432 4.189 27.429 -3.435 1.00 0.00 WAT1 ATOM 5804 OH2 TIP3 1433 6.237 29.795 1.649 1.00 0.00 WAT1 ATOM 5805 H1 TIP3 1433 6.181 30.760 1.746 1.00 0.00 WAT1 ATOM 5806 H2 TIP3 1433 5.638 29.596 0.902 1.00 0.00 WAT1 ATOM 5807 OH2 TIP3 1434 6.482 31.657 -6.060 1.00 0.00 WAT1 ATOM 5808 H1 TIP3 1434 6.120 31.872 -5.171 1.00 0.00 WAT1 ATOM 5809 H2 TIP3 1434 7.083 32.389 -6.250 1.00 0.00 WAT1 ATOM 5810 OH2 TIP3 1435 6.427 26.833 5.277 1.00 0.00 WAT1 ATOM 5811 H1 TIP3 1435 5.928 27.405 5.916 1.00 0.00 WAT1 ATOM 5812 H2 TIP3 1435 7.252 26.638 5.735 1.00 0.00 WAT1 ATOM 5813 OH2 TIP3 1436 3.842 35.017 1.370 1.00 0.00 WAT1 ATOM 5814 H1 TIP3 1436 3.401 34.553 0.623 1.00 0.00 WAT1 ATOM 5815 H2 TIP3 1436 4.076 35.882 1.005 1.00 0.00 WAT1 ATOM 5816 OH2 TIP3 1437 3.718 23.790 0.607 1.00 0.00 WAT1 ATOM 5817 H1 TIP3 1437 3.288 23.651 1.482 1.00 0.00 WAT1 ATOM 5818 H2 TIP3 1437 4.631 24.062 0.834 1.00 0.00 WAT1 ATOM 5819 OH2 TIP3 1438 4.930 24.740 4.364 1.00 0.00 WAT1 ATOM 5820 H1 TIP3 1438 5.408 25.523 4.720 1.00 0.00 WAT1 ATOM 5821 H2 TIP3 1438 5.428 24.506 3.556 1.00 0.00 WAT1 ATOM 5822 OH2 TIP3 1439 5.634 32.661 -3.592 1.00 0.00 WAT1 ATOM 5823 H1 TIP3 1439 5.438 32.216 -2.739 1.00 0.00 WAT1 ATOM 5824 H2 TIP3 1439 4.803 33.158 -3.799 1.00 0.00 WAT1 ATOM 5825 OH2 TIP3 1440 5.124 30.262 -10.485 1.00 0.00 WAT1 ATOM 5826 H1 TIP3 1440 5.397 30.142 -9.547 1.00 0.00 WAT1 ATOM 5827 H2 TIP3 1440 4.941 31.224 -10.559 1.00 0.00 WAT1 ATOM 5828 OH2 TIP3 1441 4.091 36.125 -1.670 1.00 0.00 WAT1 ATOM 5829 H1 TIP3 1441 4.905 35.871 -2.169 1.00 0.00 WAT1 ATOM 5830 H2 TIP3 1441 3.632 35.268 -1.514 1.00 0.00 WAT1 ATOM 5831 OH2 TIP3 1442 4.796 31.648 -1.137 1.00 0.00 WAT1 ATOM 5832 H1 TIP3 1442 5.107 31.995 -0.275 1.00 0.00 WAT1 ATOM 5833 H2 TIP3 1442 4.519 30.727 -0.934 1.00 0.00 WAT1 ATOM 5834 OH2 TIP3 1443 6.185 27.246 2.560 1.00 0.00 WAT1 ATOM 5835 H1 TIP3 1443 6.369 28.177 2.278 1.00 0.00 WAT1 ATOM 5836 H2 TIP3 1443 6.362 27.248 3.526 1.00 0.00 WAT1 ATOM 5837 OH2 TIP3 1444 1.303 24.487 -0.503 1.00 0.00 WAT1 ATOM 5838 H1 TIP3 1444 1.318 25.214 -1.162 1.00 0.00 WAT1 ATOM 5839 H2 TIP3 1444 2.242 24.350 -0.274 1.00 0.00 WAT1 ATOM 5840 OH2 TIP3 1445 6.433 35.227 -2.731 1.00 0.00 WAT1 ATOM 5841 H1 TIP3 1445 7.377 35.192 -2.563 1.00 0.00 WAT1 ATOM 5842 H2 TIP3 1445 6.228 34.358 -3.128 1.00 0.00 WAT1 END