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: -1728.07, 79.6852, 92.6909, 41.8026, 415.709, -282.007, -2077.29, 1.33544, 0 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 7.235715E-03,0.470083,1.21328,42.0787,3.612167E-03,0 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 22, 0 REMARK =============================================================== REMARK DATE:10-Jun-2010 13:38:58 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 22.365 -9.637 31.398 1.00 61.03 ATOM 2 CB MET 1 22.332 -10.936 29.682 1.00 30.44 ATOM 3 HB1 MET 1 22.440 -10.096 29.008 1.00 38.07 ATOM 4 HB2 MET 1 21.648 -11.649 29.243 1.00 1.44 ATOM 5 CG MET 1 23.692 -11.610 29.825 1.00 13.42 ATOM 6 HG1 MET 1 24.383 -10.911 30.273 1.00 38.07 ATOM 7 HG2 MET 1 24.049 -11.889 28.843 1.00 50.15 ATOM 8 SD MET 1 23.617 -13.089 30.856 1.00 11.52 ATOM 9 CE MET 1 25.326 -13.629 30.816 1.00 11.03 ATOM 10 HE1 MET 1 25.599 -13.885 29.804 1.00 65.23 ATOM 11 HE2 MET 1 25.444 -14.495 31.452 1.00 23.42 ATOM 12 HE3 MET 1 25.964 -12.833 31.168 1.00 62.13 ATOM 13 C MET 1 20.323 -9.886 30.784 1.00 54.21 ATOM 14 O MET 1 19.480 -10.559 30.187 1.00 1.12 ATOM 15 N MET 1 21.728 -11.537 32.017 1.00 4.51 ATOM 16 HT1 MET 1 21.134 -12.323 31.683 1.00 38.07 ATOM 17 HT2 MET 1 21.345 -11.195 32.919 1.00 38.07 ATOM 18 HT3 MET 1 22.694 -11.891 32.182 1.00 38.07 ATOM 19 CA MET 1 21.743 -10.434 31.012 1.00 72.43 ATOM 20 N GLY 2 20.059 -8.666 31.257 1.00 54.13 ATOM 21 HN GLY 2 20.783 -8.142 31.665 1.00 38.07 ATOM 22 CA GLY 2 18.710 -8.108 31.182 1.00 3.20 ATOM 23 HA1 GLY 2 18.362 -7.924 32.188 1.00 38.07 ATOM 24 HA2 GLY 2 18.054 -8.835 30.722 1.00 5.34 ATOM 25 C GLY 2 18.616 -6.805 30.389 1.00 40.31 ATOM 26 O GLY 2 18.278 -5.759 30.944 1.00 20.35 ATOM 27 N HIS 3 18.918 -6.860 29.092 1.00 15.35 ATOM 28 HN HIS 3 19.285 -7.693 28.722 1.00 38.07 ATOM 29 CA HIS 3 18.727 -5.702 28.206 1.00 13.14 ATOM 30 HA HIS 3 19.053 -4.816 28.734 1.00 11.23 ATOM 31 CB HIS 3 19.575 -5.876 26.935 1.00 34.43 ATOM 32 HB1 HIS 3 19.115 -6.626 26.307 1.00 38.07 ATOM 33 HB2 HIS 3 20.561 -6.215 27.216 1.00 51.05 ATOM 34 CG HIS 3 19.741 -4.630 26.115 1.00 42.40 ATOM 35 ND1 HIS 3 19.148 -4.453 24.884 1.00 34.53 ATOM 36 HD1 HIS 3 18.540 -5.085 24.445 1.00 41.15 ATOM 37 CD2 HIS 3 20.473 -3.509 26.336 1.00 40.53 ATOM 38 HD2 HIS 3 21.074 -3.295 27.207 1.00 51.24 ATOM 39 CE1 HIS 3 19.507 -3.288 24.384 1.00 74.32 ATOM 40 HE1 HIS 3 19.199 -2.888 23.429 1.00 52.10 ATOM 41 NE2 HIS 3 20.306 -2.696 25.242 1.00 43.10 ATOM 42 HE2 HIS 3 20.814 -1.876 25.059 1.00 38.07 ATOM 43 C HIS 3 17.231 -5.561 27.857 1.00 74.32 ATOM 44 O HIS 3 16.738 -6.194 26.922 1.00 64.41 ATOM 45 N HIS 4 16.513 -4.752 28.636 1.00 54.22 ATOM 46 HN HIS 4 16.982 -4.171 29.272 1.00 38.07 ATOM 47 CA HIS 4 15.043 -4.702 28.572 1.00 10.40 ATOM 48 HA HIS 4 14.702 -5.630 28.136 1.00 4.14 ATOM 49 CB HIS 4 14.472 -4.593 29.997 1.00 2.21 ATOM 50 HB1 HIS 4 14.769 -3.646 30.426 1.00 38.07 ATOM 51 HB2 HIS 4 14.874 -5.394 30.600 1.00 65.31 ATOM 52 CG HIS 4 12.977 -4.680 30.061 1.00 5.25 ATOM 53 ND1 HIS 4 12.154 -3.575 30.102 1.00 1.25 ATOM 54 HD1 HIS 4 12.449 -2.637 30.108 1.00 51.45 ATOM 55 CD2 HIS 4 12.155 -5.755 30.092 1.00 23.13 ATOM 56 HD2 HIS 4 12.456 -6.793 30.076 1.00 55.03 ATOM 57 CE1 HIS 4 10.896 -3.965 30.152 1.00 43.34 ATOM 58 HE1 HIS 4 10.035 -3.316 30.192 1.00 22.30 ATOM 59 NE2 HIS 4 10.868 -5.281 30.146 1.00 22.24 ATOM 60 HE2 HIS 4 10.060 -5.823 30.006 1.00 38.07 ATOM 61 C HIS 4 14.519 -3.537 27.713 1.00 11.32 ATOM 62 O HIS 4 15.066 -2.436 27.729 1.00 51.20 ATOM 63 N HIS 5 13.435 -3.796 26.976 1.00 32.41 ATOM 64 HN HIS 5 13.073 -4.707 26.972 1.00 38.07 ATOM 65 CA HIS 5 12.762 -2.765 26.173 1.00 42.25 ATOM 66 HA HIS 5 12.852 -1.824 26.697 1.00 40.31 ATOM 67 CB HIS 5 13.422 -2.637 24.789 1.00 65.22 ATOM 68 HB1 HIS 5 14.449 -2.324 24.917 1.00 38.07 ATOM 69 HB2 HIS 5 12.895 -1.890 24.215 1.00 2.21 ATOM 70 CG HIS 5 13.421 -3.909 23.991 1.00 3.42 ATOM 71 ND1 HIS 5 14.495 -4.772 23.944 1.00 63.44 ATOM 72 HD1 HIS 5 15.354 -4.647 24.406 1.00 3.43 ATOM 73 CD2 HIS 5 12.469 -4.462 23.201 1.00 33.01 ATOM 74 HD2 HIS 5 11.487 -4.057 23.003 1.00 72.41 ATOM 75 CE1 HIS 5 14.205 -5.794 23.164 1.00 61.24 ATOM 76 HE1 HIS 5 14.858 -6.625 22.944 1.00 2.15 ATOM 77 NE2 HIS 5 12.982 -5.634 22.703 1.00 53.43 ATOM 78 HE2 HIS 5 12.454 -6.337 22.266 1.00 38.07 ATOM 79 C HIS 5 11.271 -3.095 26.011 1.00 62.13 ATOM 80 O HIS 5 10.871 -4.251 26.153 1.00 64.52 ATOM 81 N HIS 6 10.460 -2.080 25.713 1.00 41.23 ATOM 82 HN HIS 6 10.838 -1.176 25.645 1.00 38.07 ATOM 83 CA HIS 6 9.022 -2.270 25.477 1.00 55.51 ATOM 84 HA HIS 6 8.916 -3.035 24.718 1.00 50.22 ATOM 85 CB HIS 6 8.320 -2.740 26.760 1.00 23.02 ATOM 86 HB1 HIS 6 8.352 -1.946 27.491 1.00 38.07 ATOM 87 HB2 HIS 6 8.838 -3.603 27.153 1.00 43.10 ATOM 88 CG HIS 6 6.883 -3.118 26.550 1.00 44.31 ATOM 89 ND1 HIS 6 5.827 -2.302 26.901 1.00 54.30 ATOM 90 HD1 HIS 6 5.899 -1.417 27.322 1.00 62.54 ATOM 91 CD2 HIS 6 6.327 -4.231 26.013 1.00 12.24 ATOM 92 HD2 HIS 6 6.856 -5.091 25.627 1.00 64.13 ATOM 93 CE1 HIS 6 4.691 -2.893 26.592 1.00 13.23 ATOM 94 HE1 HIS 6 3.703 -2.486 26.749 1.00 41.22 ATOM 95 NE2 HIS 6 4.966 -4.060 26.052 1.00 61.11 ATOM 96 HE2 HIS 6 4.301 -4.746 25.823 1.00 38.07 ATOM 97 C HIS 6 8.377 -0.969 24.965 1.00 2.25 ATOM 98 O HIS 6 8.566 0.099 25.550 1.00 5.55 ATOM 99 N HIS 7 7.611 -1.061 23.877 1.00 31.35 ATOM 100 HN HIS 7 7.448 -1.944 23.481 1.00 38.07 ATOM 101 CA HIS 7 7.023 0.131 23.249 1.00 22.43 ATOM 102 HA HIS 7 7.735 0.935 23.375 1.00 61.23 ATOM 103 CB HIS 7 6.821 -0.089 21.739 1.00 74.14 ATOM 104 HB1 HIS 7 7.781 -0.309 21.291 1.00 38.07 ATOM 105 HB2 HIS 7 6.435 0.819 21.304 1.00 2.42 ATOM 106 CG HIS 7 5.877 -1.203 21.373 1.00 62.12 ATOM 107 ND1 HIS 7 6.304 -2.459 20.989 1.00 34.11 ATOM 108 HD1 HIS 7 7.238 -2.755 20.930 1.00 73.31 ATOM 109 CD2 HIS 7 4.523 -1.237 21.300 1.00 70.13 ATOM 110 HD2 HIS 7 3.847 -0.425 21.525 1.00 5.14 ATOM 111 CE1 HIS 7 5.261 -3.209 20.696 1.00 70.42 ATOM 112 HE1 HIS 7 5.295 -4.238 20.364 1.00 64.32 ATOM 113 NE2 HIS 7 4.172 -2.495 20.878 1.00 4.44 ATOM 114 HE2 HIS 7 3.254 -2.834 20.790 1.00 38.07 ATOM 115 C HIS 7 5.702 0.568 23.911 1.00 42.34 ATOM 116 O HIS 7 4.821 -0.251 24.187 1.00 1.24 ATOM 117 N HIS 8 5.587 1.873 24.151 1.00 51.24 ATOM 118 HN HIS 8 6.355 2.453 23.950 1.00 38.07 ATOM 119 CA HIS 8 4.368 2.489 24.692 1.00 13.30 ATOM 120 HA HIS 8 3.620 1.717 24.809 1.00 63.22 ATOM 121 CB HIS 8 4.668 3.122 26.065 1.00 43.34 ATOM 122 HB1 HIS 8 5.549 3.745 25.983 1.00 38.07 ATOM 123 HB2 HIS 8 4.862 2.336 26.779 1.00 2.44 ATOM 124 CG HIS 8 3.556 3.970 26.616 1.00 22.43 ATOM 125 ND1 HIS 8 2.605 3.494 27.491 1.00 12.12 ATOM 126 HD1 HIS 8 2.553 2.577 27.843 1.00 74.40 ATOM 127 CD2 HIS 8 3.254 5.279 26.421 1.00 4.23 ATOM 128 HD2 HIS 8 3.791 5.974 25.791 1.00 54.33 ATOM 129 CE1 HIS 8 1.772 4.464 27.807 1.00 45.22 ATOM 130 HE1 HIS 8 0.927 4.376 28.474 1.00 40.12 ATOM 131 NE2 HIS 8 2.141 5.555 27.174 1.00 54.11 ATOM 132 HE2 HIS 8 1.785 6.454 27.350 1.00 38.07 ATOM 133 C HIS 8 3.842 3.555 23.716 1.00 43.44 ATOM 134 O HIS 8 4.489 4.580 23.505 1.00 13.23 ATOM 135 N SER 9 2.674 3.321 23.119 1.00 33.34 ATOM 136 HN SER 9 2.169 2.508 23.346 1.00 38.07 ATOM 137 CA SER 9 2.128 4.263 22.125 1.00 2.43 ATOM 138 HA SER 9 2.386 5.263 22.444 1.00 10.41 ATOM 139 CB SER 9 2.765 4.009 20.752 1.00 33.45 ATOM 140 HB1 SER 9 2.553 2.995 20.442 1.00 38.07 ATOM 141 HB2 SER 9 3.833 4.147 20.822 1.00 63.45 ATOM 142 OG SER 9 2.251 4.903 19.774 1.00 35.01 ATOM 143 HG SER 9 2.965 5.473 19.452 1.00 51.24 ATOM 144 C SER 9 0.601 4.172 22.001 1.00 71.13 ATOM 145 O SER 9 -0.022 3.241 22.514 1.00 64.24 ATOM 146 N HIS 10 0.011 5.163 21.329 1.00 25.50 ATOM 147 HN HIS 10 0.569 5.899 20.995 1.00 38.07 ATOM 148 CA HIS 10 -1.436 5.200 21.054 1.00 52.12 ATOM 149 HA HIS 10 -1.805 4.182 21.074 1.00 12.22 ATOM 150 CB HIS 10 -2.176 6.026 22.120 1.00 73.51 ATOM 151 HB1 HIS 10 -3.181 6.230 21.776 1.00 38.07 ATOM 152 HB2 HIS 10 -1.657 6.962 22.265 1.00 53.44 ATOM 153 CG HIS 10 -2.276 5.352 23.453 1.00 14.03 ATOM 154 ND1 HIS 10 -3.347 4.567 23.813 1.00 13.50 ATOM 155 HD1 HIS 10 -4.135 4.378 23.257 1.00 12.15 ATOM 156 CD2 HIS 10 -1.435 5.344 24.516 1.00 75.41 ATOM 157 HD2 HIS 10 -0.489 5.859 24.589 1.00 4.01 ATOM 158 CE1 HIS 10 -3.164 4.104 25.032 1.00 61.11 ATOM 159 HE1 HIS 10 -3.843 3.457 25.568 1.00 40.04 ATOM 160 NE2 HIS 10 -2.012 4.557 25.484 1.00 13.03 ATOM 161 HE2 HIS 10 -1.543 4.191 26.264 1.00 38.07 ATOM 162 C HIS 10 -1.718 5.791 19.660 1.00 73.12 ATOM 163 O HIS 10 -0.838 6.392 19.040 1.00 43.04 ATOM 164 N MET 11 -2.954 5.632 19.182 1.00 22.30 ATOM 165 HN MET 11 -3.621 5.177 19.736 1.00 38.07 ATOM 166 CA MET 11 -3.349 6.123 17.851 1.00 23.42 ATOM 167 HA MET 11 -2.487 6.045 17.203 1.00 11.23 ATOM 168 CB MET 11 -4.473 5.246 17.278 1.00 22.54 ATOM 169 HB1 MET 11 -4.806 5.668 16.340 1.00 38.07 ATOM 170 HB2 MET 11 -5.302 5.242 17.974 1.00 75.25 ATOM 171 CG MET 11 -4.053 3.804 17.030 1.00 24.11 ATOM 172 HG1 MET 11 -4.896 3.259 16.630 1.00 38.07 ATOM 173 HG2 MET 11 -3.759 3.362 17.972 1.00 55.11 ATOM 174 SD MET 11 -2.673 3.672 15.871 1.00 0.04 ATOM 175 CE MET 11 -3.384 4.417 14.404 1.00 4.23 ATOM 176 HE1 MET 11 -2.661 4.392 13.602 1.00 1.31 ATOM 177 HE2 MET 11 -3.654 5.441 14.615 1.00 22.33 ATOM 178 HE3 MET 11 -4.265 3.866 14.112 1.00 4.51 ATOM 179 C MET 11 -3.801 7.592 17.885 1.00 70.02 ATOM 180 O MET 11 -4.295 8.083 18.902 1.00 62.02 ATOM 181 N ALA 12 -3.630 8.285 16.760 1.00 32.34 ATOM 182 HN ALA 12 -3.230 7.835 15.982 1.00 38.07 ATOM 183 CA ALA 12 -4.010 9.697 16.648 1.00 21.12 ATOM 184 HA ALA 12 -4.013 10.122 17.644 1.00 32.10 ATOM 185 CB ALA 12 -2.973 10.447 15.819 1.00 4.15 ATOM 186 HB1 ALA 12 -2.003 10.358 16.288 1.00 51.10 ATOM 187 HB2 ALA 12 -3.248 11.490 15.757 1.00 45.51 ATOM 188 HB3 ALA 12 -2.930 10.025 14.826 1.00 63.20 ATOM 189 C ALA 12 -5.413 9.864 16.034 1.00 35.43 ATOM 190 O ALA 12 -5.808 9.114 15.136 1.00 63.23 ATOM 191 N LYS 13 -6.160 10.858 16.518 1.00 33.31 ATOM 192 HN LYS 13 -5.786 11.434 17.218 1.00 38.07 ATOM 193 CA LYS 13 -7.528 11.123 16.039 1.00 3.13 ATOM 194 HA LYS 13 -7.695 10.517 15.158 1.00 64.24 ATOM 195 CB LYS 13 -8.550 10.719 17.117 1.00 63.32 ATOM 196 HB1 LYS 13 -9.532 11.059 16.815 1.00 38.07 ATOM 197 HB2 LYS 13 -8.283 11.203 18.044 1.00 42.02 ATOM 198 CG LYS 13 -8.626 9.213 17.375 1.00 40.41 ATOM 199 HG1 LYS 13 -9.297 9.033 18.205 1.00 38.07 ATOM 200 HG2 LYS 13 -7.639 8.852 17.627 1.00 1.15 ATOM 201 CD LYS 13 -9.133 8.446 16.152 1.00 21.04 ATOM 202 HD1 LYS 13 -9.137 7.388 16.379 1.00 38.07 ATOM 203 HD2 LYS 13 -8.466 8.631 15.322 1.00 75.23 ATOM 204 CE LYS 13 -10.544 8.873 15.754 1.00 43.45 ATOM 205 HE1 LYS 13 -10.538 9.929 15.520 1.00 38.07 ATOM 206 HE2 LYS 13 -11.212 8.695 16.586 1.00 3.54 ATOM 207 NZ LYS 13 -11.042 8.120 14.572 1.00 61.24 ATOM 208 HZ1 LYS 13 -11.104 7.105 14.794 1.00 21.34 ATOM 209 HZ2 LYS 13 -10.400 8.246 13.765 1.00 51.20 ATOM 210 HZ3 LYS 13 -11.987 8.460 14.304 1.00 50.12 ATOM 211 C LYS 13 -7.717 12.606 15.661 1.00 74.15 ATOM 212 O LYS 13 -7.215 13.497 16.347 1.00 44.21 ATOM 213 N PRO 14 -8.458 12.893 14.568 1.00 23.40 ATOM 214 CA PRO 14 -8.684 14.272 14.093 1.00 73.41 ATOM 215 HA PRO 14 -7.767 14.842 14.089 1.00 21.33 ATOM 216 CB PRO 14 -9.157 14.049 12.651 1.00 53.44 ATOM 217 HB1 PRO 14 -8.304 14.008 11.990 1.00 38.07 ATOM 218 HB2 PRO 14 -9.813 14.855 12.350 1.00 72.23 ATOM 219 CG PRO 14 -9.873 12.743 12.697 1.00 73.02 ATOM 220 HG1 PRO 14 -9.850 12.275 11.722 1.00 38.07 ATOM 221 HG2 PRO 14 -10.895 12.894 13.015 1.00 70.31 ATOM 222 CD PRO 14 -9.129 11.898 13.702 1.00 12.44 ATOM 223 HD1 PRO 14 -8.403 11.271 13.205 1.00 38.07 ATOM 224 HD2 PRO 14 -9.820 11.294 14.275 1.00 23.50 ATOM 225 C PRO 14 -9.753 15.033 14.909 1.00 31.44 ATOM 226 O PRO 14 -10.321 14.502 15.865 1.00 3.32 ATOM 227 N THR 15 -10.007 16.288 14.532 1.00 40.22 ATOM 228 HN THR 15 -9.501 16.671 13.782 1.00 38.07 ATOM 229 CA THR 15 -11.024 17.119 15.204 1.00 13.23 ATOM 230 HA THR 15 -11.813 16.463 15.554 1.00 54.35 ATOM 231 CB THR 15 -10.435 17.868 16.432 1.00 62.22 ATOM 232 HB THR 15 -9.616 18.487 16.096 1.00 44.14 ATOM 233 OG1 THR 15 -9.936 16.928 17.398 1.00 22.42 ATOM 234 HG1 THR 15 -9.460 16.226 16.943 1.00 20.22 ATOM 235 CG2 THR 15 -11.481 18.759 17.098 1.00 62.30 ATOM 236 HG21 THR 15 -11.039 19.260 17.947 1.00 34.22 ATOM 237 HG22 THR 15 -12.312 18.155 17.433 1.00 40.22 ATOM 238 HG23 THR 15 -11.835 19.496 16.390 1.00 31.35 ATOM 239 C THR 15 -11.629 18.150 14.237 1.00 71.03 ATOM 240 O THR 15 -10.907 18.801 13.480 1.00 75.21 ATOM 241 N ALA 16 -12.955 18.298 14.268 1.00 0.41 ATOM 242 HN ALA 16 -13.480 17.763 14.899 1.00 38.07 ATOM 243 CA ALA 16 -13.647 19.237 13.375 1.00 54.21 ATOM 244 HA ALA 16 -12.917 19.945 13.005 1.00 41.30 ATOM 245 CB ALA 16 -14.221 18.489 12.176 1.00 4.04 ATOM 246 HB1 ALA 16 -14.933 17.751 12.518 1.00 22.33 ATOM 247 HB2 ALA 16 -13.421 17.996 11.642 1.00 3.34 ATOM 248 HB3 ALA 16 -14.716 19.187 11.518 1.00 41.04 ATOM 249 C ALA 16 -14.756 20.016 14.105 1.00 13.14 ATOM 250 O ALA 16 -15.877 19.527 14.268 1.00 43.21 ATOM 251 N ARG 17 -14.431 21.230 14.553 1.00 35.14 ATOM 252 HN ARG 17 -13.509 21.551 14.432 1.00 38.07 ATOM 253 CA ARG 17 -15.407 22.100 15.224 1.00 73.13 ATOM 254 HA ARG 17 -16.243 21.487 15.537 1.00 61.35 ATOM 255 CB ARG 17 -14.775 22.748 16.467 1.00 12.32 ATOM 256 HB1 ARG 17 -13.963 23.386 16.146 1.00 38.07 ATOM 257 HB2 ARG 17 -14.372 21.967 17.095 1.00 70.34 ATOM 258 CG ARG 17 -15.733 23.590 17.316 1.00 43.54 ATOM 259 HG1 ARG 17 -16.277 24.259 16.663 1.00 38.07 ATOM 260 HG2 ARG 17 -15.152 24.171 18.018 1.00 3.32 ATOM 261 CD ARG 17 -16.736 22.738 18.100 1.00 12.22 ATOM 262 HD1 ARG 17 -17.242 23.375 18.814 1.00 38.07 ATOM 263 HD2 ARG 17 -16.193 21.970 18.634 1.00 44.35 ATOM 264 NE ARG 17 -17.738 22.098 17.243 1.00 44.35 ATOM 265 HE ARG 17 -17.640 22.196 16.280 1.00 54.12 ATOM 266 CZ ARG 17 -18.758 21.417 17.691 1.00 25.42 ATOM 267 NH1 ARG 17 -18.945 21.269 18.964 1.00 23.42 ATOM 268 HH11 ARG 17 -18.307 21.676 19.611 1.00 71.52 ATOM 269 HH12 ARG 17 -19.734 20.756 19.294 1.00 43.31 ATOM 270 NH2 ARG 17 -19.597 20.895 16.860 1.00 73.32 ATOM 271 HH21 ARG 17 -19.461 21.010 15.880 1.00 60.15 ATOM 272 HH22 ARG 17 -20.383 20.381 17.200 1.00 54.54 ATOM 273 C ARG 17 -15.923 23.184 14.259 1.00 35.45 ATOM 274 O ARG 17 -15.361 24.280 14.174 1.00 24.13 ATOM 275 N GLY 18 -16.987 22.861 13.527 1.00 31.03 ATOM 276 HN GLY 18 -17.413 21.992 13.669 1.00 38.07 ATOM 277 CA GLY 18 -17.522 23.769 12.517 1.00 63.51 ATOM 278 HA1 GLY 18 -18.065 23.185 11.788 1.00 38.07 ATOM 279 HA2 GLY 18 -16.699 24.262 12.018 1.00 73.32 ATOM 280 C GLY 18 -18.455 24.834 13.082 1.00 72.23 ATOM 281 O GLY 18 -19.679 24.711 12.994 1.00 24.42 ATOM 282 N GLU 19 -17.880 25.881 13.666 1.00 53.32 ATOM 283 HN GLU 19 -16.906 25.892 13.773 1.00 38.07 ATOM 284 CA GLU 19 -18.668 27.015 14.161 1.00 54.50 ATOM 285 HA GLU 19 -19.587 26.622 14.578 1.00 12.00 ATOM 286 CB GLU 19 -17.902 27.758 15.267 1.00 14.22 ATOM 287 HB1 GLU 19 -18.511 28.577 15.623 1.00 38.07 ATOM 288 HB2 GLU 19 -16.987 28.158 14.852 1.00 42.54 ATOM 289 CG GLU 19 -17.540 26.876 16.461 1.00 33.23 ATOM 290 HG1 GLU 19 -17.053 27.488 17.208 1.00 38.07 ATOM 291 HG2 GLU 19 -16.855 26.109 16.128 1.00 52.44 ATOM 292 CD GLU 19 -18.752 26.205 17.094 1.00 54.33 ATOM 293 OE1 GLU 19 -19.005 25.015 16.806 1.00 64.30 ATOM 294 OE2 GLU 19 -19.461 26.864 17.882 1.00 32.40 ATOM 295 C GLU 19 -19.020 27.975 13.012 1.00 33.11 ATOM 296 O GLU 19 -18.182 28.764 12.566 1.00 13.22 ATOM 297 N ALA 20 -20.264 27.897 12.539 1.00 21.23 ATOM 298 HN ALA 20 -20.911 27.321 12.998 1.00 38.07 ATOM 299 CA ALA 20 -20.700 28.653 11.359 1.00 35.43 ATOM 300 HA ALA 20 -19.816 28.989 10.831 1.00 2.32 ATOM 301 CB ALA 20 -21.484 27.741 10.425 1.00 52.13 ATOM 302 HB1 ALA 20 -20.876 26.890 10.155 1.00 23.33 ATOM 303 HB2 ALA 20 -21.757 28.285 9.532 1.00 2.53 ATOM 304 HB3 ALA 20 -22.379 27.398 10.923 1.00 25.24 ATOM 305 C ALA 20 -21.550 29.876 11.729 1.00 52.30 ATOM 306 O ALA 20 -22.294 29.862 12.717 1.00 35.14 ATOM 307 N GLY 21 -21.438 30.929 10.921 1.00 31.23 ATOM 308 HN GLY 21 -20.795 30.893 10.179 1.00 38.07 ATOM 309 CA GLY 21 -22.235 32.136 11.126 1.00 3.22 ATOM 310 HA1 GLY 21 -21.565 32.982 11.189 1.00 38.07 ATOM 311 HA2 GLY 21 -22.773 32.051 12.060 1.00 20.52 ATOM 312 C GLY 21 -23.240 32.391 10.003 1.00 45.50 ATOM 313 O GLY 21 -24.353 32.869 10.250 1.00 3.35 ATOM 314 N SER 22 -22.854 32.072 8.766 1.00 32.43 ATOM 315 HN SER 22 -21.963 31.681 8.630 1.00 38.07 ATOM 316 CA SER 22 -23.721 32.286 7.594 1.00 22.21 ATOM 317 HA SER 22 -24.461 33.030 7.855 1.00 25.11 ATOM 318 CB SER 22 -22.897 32.800 6.407 1.00 23.15 ATOM 319 HB1 SER 22 -22.309 33.650 6.721 1.00 38.07 ATOM 320 HB2 SER 22 -23.561 33.098 5.609 1.00 3.01 ATOM 321 OG SER 22 -22.019 31.795 5.918 1.00 63.14 ATOM 322 HG SER 22 -21.261 32.215 5.497 1.00 5.25 ATOM 323 C SER 22 -24.443 30.998 7.175 1.00 60.22 ATOM 324 O SER 22 -24.106 29.900 7.628 1.00 45.11 ATOM 325 N ARG 23 -25.439 31.143 6.299 1.00 15.33 ATOM 326 HN ARG 23 -25.686 32.048 6.005 1.00 38.07 ATOM 327 CA ARG 23 -26.180 29.992 5.765 1.00 3.13 ATOM 328 HA ARG 23 -26.464 29.367 6.600 1.00 52.04 ATOM 329 CB ARG 23 -27.451 30.467 5.044 1.00 13.43 ATOM 330 HB1 ARG 23 -27.970 29.606 4.646 1.00 38.07 ATOM 331 HB2 ARG 23 -27.167 31.115 4.224 1.00 64.42 ATOM 332 CG ARG 23 -28.413 31.229 5.949 1.00 75.44 ATOM 333 HG1 ARG 23 -27.898 32.083 6.369 1.00 38.07 ATOM 334 HG2 ARG 23 -28.732 30.573 6.747 1.00 25.41 ATOM 335 CD ARG 23 -29.646 31.714 5.195 1.00 11.45 ATOM 336 HD1 ARG 23 -30.170 30.856 4.797 1.00 38.07 ATOM 337 HD2 ARG 23 -29.330 32.352 4.381 1.00 70.22 ATOM 338 NE ARG 23 -30.549 32.465 6.064 1.00 70.24 ATOM 339 HE ARG 23 -30.191 32.782 6.919 1.00 70.21 ATOM 340 CZ ARG 23 -31.794 32.729 5.778 1.00 62.53 ATOM 341 NH1 ARG 23 -32.308 32.361 4.647 1.00 44.15 ATOM 342 HH11 ARG 23 -31.752 31.874 3.980 1.00 73.01 ATOM 343 HH12 ARG 23 -33.264 32.565 4.446 1.00 22.33 ATOM 344 NH2 ARG 23 -32.522 33.381 6.622 1.00 42.43 ATOM 345 HH21 ARG 23 -32.133 33.682 7.485 1.00 1.14 ATOM 346 HH22 ARG 23 -33.479 33.574 6.405 1.00 62.21 ATOM 347 C ARG 23 -25.308 29.167 4.808 1.00 41.31 ATOM 348 O ARG 23 -25.414 27.940 4.752 1.00 34.21 ATOM 349 N ASP 24 -24.441 29.850 4.065 1.00 62.42 ATOM 350 HN ASP 24 -24.427 30.832 4.132 1.00 38.07 ATOM 351 CA ASP 24 -23.510 29.191 3.146 1.00 32.22 ATOM 352 HA ASP 24 -24.089 28.676 2.393 1.00 44.32 ATOM 353 CB ASP 24 -22.625 30.241 2.469 1.00 30.43 ATOM 354 HB1 ASP 24 -22.093 29.783 1.647 1.00 38.07 ATOM 355 HB2 ASP 24 -21.909 30.620 3.186 1.00 12.22 ATOM 356 CG ASP 24 -23.437 31.406 1.933 1.00 32.24 ATOM 357 OD1 ASP 24 -23.784 32.303 2.733 1.00 61.10 ATOM 358 OD2 ASP 24 -23.741 31.428 0.726 1.00 11.50 ATOM 359 C ASP 24 -22.642 28.170 3.898 1.00 71.44 ATOM 360 O ASP 24 -22.455 27.035 3.450 1.00 21.51 ATOM 361 N GLU 25 -22.128 28.583 5.058 1.00 44.55 ATOM 362 HN GLU 25 -22.272 29.515 5.336 1.00 38.07 ATOM 363 CA GLU 25 -21.350 27.693 5.926 1.00 15.53 ATOM 364 HA GLU 25 -20.519 27.313 5.348 1.00 53.05 ATOM 365 CB GLU 25 -20.801 28.467 7.130 1.00 73.11 ATOM 366 HB1 GLU 25 -20.335 27.767 7.809 1.00 38.07 ATOM 367 HB2 GLU 25 -21.626 28.950 7.639 1.00 0.13 ATOM 368 CG GLU 25 -19.778 29.538 6.772 1.00 43.03 ATOM 369 HG1 GLU 25 -20.231 30.238 6.081 1.00 38.07 ATOM 370 HG2 GLU 25 -18.931 29.064 6.296 1.00 63.33 ATOM 371 CD GLU 25 -19.287 30.301 7.991 1.00 55.41 ATOM 372 OE1 GLU 25 -19.952 31.281 8.392 1.00 51.30 ATOM 373 OE2 GLU 25 -18.237 29.927 8.551 1.00 31.52 ATOM 374 C GLU 25 -22.192 26.504 6.415 1.00 52.23 ATOM 375 O GLU 25 -21.687 25.392 6.554 1.00 42.34 ATOM 376 N ARG 26 -23.479 26.743 6.672 1.00 1.12 ATOM 377 HN ARG 26 -23.825 27.654 6.563 1.00 38.07 ATOM 378 CA ARG 26 -24.389 25.678 7.115 1.00 43.13 ATOM 379 HA ARG 26 -23.961 25.244 8.009 1.00 24.23 ATOM 380 CB ARG 26 -25.767 26.259 7.464 1.00 0.23 ATOM 381 HB1 ARG 26 -26.447 25.446 7.676 1.00 38.07 ATOM 382 HB2 ARG 26 -26.138 26.816 6.616 1.00 52.20 ATOM 383 CG ARG 26 -25.739 27.186 8.674 1.00 25.04 ATOM 384 HG1 ARG 26 -26.733 27.577 8.843 1.00 38.07 ATOM 385 HG2 ARG 26 -25.060 28.004 8.475 1.00 10.42 ATOM 386 CD ARG 26 -25.273 26.452 9.927 1.00 32.34 ATOM 387 HD1 ARG 26 -24.361 25.918 9.697 1.00 38.07 ATOM 388 HD2 ARG 26 -26.037 25.745 10.217 1.00 12.22 ATOM 389 NE ARG 26 -25.023 27.362 11.041 1.00 14.53 ATOM 390 HE ARG 26 -25.167 28.316 10.887 1.00 2.54 ATOM 391 CZ ARG 26 -24.595 26.984 12.215 1.00 72.35 ATOM 392 NH1 ARG 26 -24.441 25.726 12.485 1.00 20.22 ATOM 393 HH11 ARG 26 -24.656 25.043 11.795 1.00 50.53 ATOM 394 HH12 ARG 26 -24.108 25.443 13.383 1.00 44.32 ATOM 395 NH2 ARG 26 -24.344 27.870 13.122 1.00 33.02 ATOM 396 HH21 ARG 26 -24.483 28.839 12.920 1.00 45.35 ATOM 397 HH22 ARG 26 -24.000 27.589 14.016 1.00 34.20 ATOM 398 C ARG 26 -24.516 24.571 6.056 1.00 4.21 ATOM 399 O ARG 26 -24.563 23.385 6.388 1.00 52.30 ATOM 400 N ARG 27 -24.570 24.958 4.782 1.00 31.43 ATOM 401 HN ARG 27 -24.664 25.915 4.575 1.00 38.07 ATOM 402 CA ARG 27 -24.495 23.983 3.686 1.00 74.01 ATOM 403 HA ARG 27 -25.246 23.226 3.864 1.00 73.12 ATOM 404 CB ARG 27 -24.762 24.650 2.325 1.00 74.31 ATOM 405 HB1 ARG 27 -24.307 24.044 1.552 1.00 38.07 ATOM 406 HB2 ARG 27 -24.287 25.622 2.319 1.00 72.12 ATOM 407 CG ARG 27 -26.235 24.849 1.960 1.00 51.04 ATOM 408 HG1 ARG 27 -26.766 23.927 2.152 1.00 38.07 ATOM 409 HG2 ARG 27 -26.300 25.081 0.908 1.00 44.33 ATOM 410 CD ARG 27 -26.903 25.973 2.742 1.00 4.01 ATOM 411 HD1 ARG 27 -27.737 26.342 2.163 1.00 38.07 ATOM 412 HD2 ARG 27 -26.189 26.772 2.881 1.00 63.10 ATOM 413 NE ARG 27 -27.392 25.549 4.052 1.00 20.14 ATOM 414 HE ARG 27 -26.996 24.750 4.455 1.00 44.14 ATOM 415 CZ ARG 27 -28.329 26.178 4.708 1.00 52.14 ATOM 416 NH1 ARG 27 -28.896 27.226 4.202 1.00 65.51 ATOM 417 HH11 ARG 27 -28.618 27.561 3.303 1.00 5.34 ATOM 418 HH12 ARG 27 -29.618 27.691 4.712 1.00 5.11 ATOM 419 NH2 ARG 27 -28.711 25.755 5.867 1.00 75.21 ATOM 420 HH21 ARG 27 -28.289 24.944 6.267 1.00 32.23 ATOM 421 HH22 ARG 27 -29.440 26.233 6.355 1.00 33.04 ATOM 422 C ARG 27 -23.111 23.308 3.657 1.00 51.13 ATOM 423 O ARG 27 -22.998 22.090 3.500 1.00 1.54 ATOM 424 N ALA 28 -22.066 24.121 3.814 1.00 23.25 ATOM 425 HN ALA 28 -22.231 25.077 3.961 1.00 38.07 ATOM 426 CA ALA 28 -20.678 23.645 3.769 1.00 50.02 ATOM 427 HA ALA 28 -20.494 23.264 2.773 1.00 42.44 ATOM 428 CB ALA 28 -19.717 24.808 4.010 1.00 12.45 ATOM 429 HB1 ALA 28 -19.869 25.203 5.004 1.00 22.24 ATOM 430 HB2 ALA 28 -19.901 25.585 3.282 1.00 41.30 ATOM 431 HB3 ALA 28 -18.698 24.460 3.914 1.00 54.13 ATOM 432 C ALA 28 -20.415 22.517 4.781 1.00 73.13 ATOM 433 O ALA 28 -20.004 21.419 4.403 1.00 63.24 ATOM 434 N LEU 29 -20.657 22.787 6.064 1.00 14.12 ATOM 435 HN LEU 29 -20.994 23.676 6.308 1.00 38.07 ATOM 436 CA LEU 29 -20.421 21.797 7.125 1.00 40.20 ATOM 437 HA LEU 29 -19.393 21.473 7.031 1.00 44.12 ATOM 438 CB LEU 29 -20.597 22.452 8.513 1.00 51.31 ATOM 439 HB1 LEU 29 -19.826 23.202 8.625 1.00 38.07 ATOM 440 HB2 LEU 29 -20.436 21.693 9.267 1.00 70.40 ATOM 441 CG LEU 29 -21.961 23.123 8.791 1.00 2.15 ATOM 442 HG LEU 29 -22.332 23.549 7.871 1.00 34.42 ATOM 443 CD1 LEU 29 -22.998 22.109 9.276 1.00 52.01 ATOM 444 HD11 LEU 29 -22.640 21.628 10.175 1.00 3.41 ATOM 445 HD12 LEU 29 -23.160 21.365 8.511 1.00 13.11 ATOM 446 HD13 LEU 29 -23.929 22.617 9.483 1.00 13.44 ATOM 447 CD2 LEU 29 -21.804 24.263 9.796 1.00 63.32 ATOM 448 HD21 LEU 29 -22.769 24.712 9.984 1.00 44.34 ATOM 449 HD22 LEU 29 -21.138 25.010 9.389 1.00 63.34 ATOM 450 HD23 LEU 29 -21.396 23.881 10.721 1.00 45.44 ATOM 451 C LEU 29 -21.324 20.559 6.970 1.00 60.21 ATOM 452 O LEU 29 -20.946 19.454 7.361 1.00 55.22 ATOM 453 N ALA 30 -22.509 20.747 6.391 1.00 5.52 ATOM 454 HN ALA 30 -22.775 21.655 6.132 1.00 38.07 ATOM 455 CA ALA 30 -23.432 19.632 6.139 1.00 64.41 ATOM 456 HA ALA 30 -23.541 19.078 7.062 1.00 32.31 ATOM 457 CB ALA 30 -24.804 20.164 5.742 1.00 75.53 ATOM 458 HB1 ALA 30 -25.161 20.844 6.502 1.00 21.32 ATOM 459 HB2 ALA 30 -25.497 19.341 5.645 1.00 62.03 ATOM 460 HB3 ALA 30 -24.731 20.687 4.799 1.00 4.01 ATOM 461 C ALA 30 -22.886 18.688 5.055 1.00 60.02 ATOM 462 O ALA 30 -22.995 17.462 5.162 1.00 15.42 ATOM 463 N MET 31 -22.301 19.270 4.010 1.00 53.51 ATOM 464 HN MET 31 -22.295 20.249 3.955 1.00 38.07 ATOM 465 CA MET 31 -21.672 18.491 2.934 1.00 60.30 ATOM 466 HA MET 31 -22.224 17.566 2.830 1.00 42.15 ATOM 467 CB MET 31 -21.741 19.260 1.610 1.00 62.01 ATOM 468 HB1 MET 31 -21.221 18.695 0.849 1.00 38.07 ATOM 469 HB2 MET 31 -21.250 20.215 1.736 1.00 1.32 ATOM 470 CG MET 31 -23.163 19.515 1.127 1.00 24.42 ATOM 471 HG1 MET 31 -23.122 20.063 0.195 1.00 38.07 ATOM 472 HG2 MET 31 -23.684 20.104 1.868 1.00 50.42 ATOM 473 SD MET 31 -24.090 17.993 0.861 1.00 52.41 ATOM 474 CE MET 31 -23.114 17.210 -0.425 1.00 3.13 ATOM 475 HE1 MET 31 -23.570 16.270 -0.704 1.00 54.31 ATOM 476 HE2 MET 31 -22.115 17.026 -0.059 1.00 73.20 ATOM 477 HE3 MET 31 -23.069 17.859 -1.289 1.00 15.32 ATOM 478 C MET 31 -20.212 18.153 3.272 1.00 13.45 ATOM 479 O MET 31 -19.584 17.341 2.589 1.00 10.15 ATOM 480 N LYS 32 -19.694 18.783 4.334 1.00 30.00 ATOM 481 HN LYS 32 -20.257 19.431 4.805 1.00 38.07 ATOM 482 CA LYS 32 -18.326 18.554 4.833 1.00 11.43 ATOM 483 HA LYS 32 -18.278 19.002 5.815 1.00 5.21 ATOM 484 CB LYS 32 -18.039 17.049 4.980 1.00 13.45 ATOM 485 HB1 LYS 32 -17.068 16.919 5.435 1.00 38.07 ATOM 486 HB2 LYS 32 -18.030 16.595 3.998 1.00 72.12 ATOM 487 CG LYS 32 -19.073 16.325 5.839 1.00 41.34 ATOM 488 HG1 LYS 32 -20.055 16.498 5.423 1.00 38.07 ATOM 489 HG2 LYS 32 -19.034 16.727 6.841 1.00 21.14 ATOM 490 CD LYS 32 -18.824 14.822 5.903 1.00 51.53 ATOM 491 HD1 LYS 32 -17.880 14.643 6.398 1.00 38.07 ATOM 492 HD2 LYS 32 -18.785 14.430 4.897 1.00 41.32 ATOM 493 CE LYS 32 -19.934 14.107 6.668 1.00 42.34 ATOM 494 HE1 LYS 32 -19.959 14.485 7.681 1.00 38.07 ATOM 495 HE2 LYS 32 -19.721 13.047 6.684 1.00 11.34 ATOM 496 NZ LYS 32 -21.264 14.323 6.035 1.00 54.13 ATOM 497 HZ1 LYS 32 -21.266 13.948 5.064 1.00 12.12 ATOM 498 HZ2 LYS 32 -21.488 15.335 6.003 1.00 64.23 ATOM 499 HZ3 LYS 32 -22.006 13.837 6.579 1.00 41.41 ATOM 500 C LYS 32 -17.265 19.247 3.956 1.00 13.41 ATOM 501 O LYS 32 -16.428 18.599 3.323 1.00 5.51 ATOM 502 N ILE 33 -17.328 20.580 3.919 1.00 12.41 ATOM 503 HN ILE 33 -18.069 21.027 4.380 1.00 38.07 ATOM 504 CA ILE 33 -16.335 21.404 3.211 1.00 73.43 ATOM 505 HA ILE 33 -15.881 20.794 2.442 1.00 72.12 ATOM 506 CB ILE 33 -17.011 22.629 2.534 1.00 22.11 ATOM 507 HB ILE 33 -17.491 23.212 3.307 1.00 22.12 ATOM 508 CG1 ILE 33 -18.082 22.171 1.525 1.00 51.12 ATOM 509 HG11 ILE 33 -18.581 23.041 1.119 1.00 38.07 ATOM 510 HG12 ILE 33 -18.809 21.557 2.037 1.00 25.14 ATOM 511 CG2 ILE 33 -15.974 23.522 1.851 1.00 22.31 ATOM 512 HG21 ILE 33 -15.420 22.943 1.125 1.00 43.34 ATOM 513 HG22 ILE 33 -15.293 23.916 2.590 1.00 75.04 ATOM 514 HG23 ILE 33 -16.473 24.342 1.353 1.00 51.53 ATOM 515 CD1 ILE 33 -17.535 21.366 0.365 1.00 60.42 ATOM 516 HD11 ILE 33 -18.349 21.070 -0.283 1.00 43.22 ATOM 517 HD12 ILE 33 -17.036 20.485 0.740 1.00 60.54 ATOM 518 HD13 ILE 33 -16.834 21.968 -0.192 1.00 24.14 ATOM 519 C ILE 33 -15.238 21.896 4.183 1.00 21.03 ATOM 520 O ILE 33 -15.524 22.626 5.130 1.00 1.11 ATOM 521 N PRO 34 -13.966 21.502 3.959 1.00 2.32 ATOM 522 CA PRO 34 -12.856 21.824 4.879 1.00 63.03 ATOM 523 HA PRO 34 -13.154 21.690 5.909 1.00 3.45 ATOM 524 CB PRO 34 -11.816 20.763 4.514 1.00 51.02 ATOM 525 HB1 PRO 34 -11.990 19.867 5.094 1.00 38.07 ATOM 526 HB2 PRO 34 -10.820 21.137 4.713 1.00 74.34 ATOM 527 CG PRO 34 -12.028 20.517 3.056 1.00 65.15 ATOM 528 HG1 PRO 34 -11.724 19.510 2.806 1.00 38.07 ATOM 529 HG2 PRO 34 -11.462 21.232 2.475 1.00 62.21 ATOM 530 CD PRO 34 -13.507 20.694 2.808 1.00 11.11 ATOM 531 HD1 PRO 34 -14.005 19.732 2.791 1.00 38.07 ATOM 532 HD2 PRO 34 -13.676 21.219 1.879 1.00 72.13 ATOM 533 C PRO 34 -12.266 23.242 4.712 1.00 63.54 ATOM 534 O PRO 34 -11.245 23.564 5.322 1.00 24.02 ATOM 535 N PHE 35 -12.904 24.089 3.905 1.00 53.10 ATOM 536 HN PHE 35 -13.724 23.797 3.461 1.00 38.07 ATOM 537 CA PHE 35 -12.412 25.460 3.678 1.00 61.45 ATOM 538 HA PHE 35 -11.706 25.680 4.472 1.00 44.23 ATOM 539 CB PHE 35 -11.671 25.556 2.330 1.00 25.53 ATOM 540 HB1 PHE 35 -10.713 25.063 2.425 1.00 38.07 ATOM 541 HB2 PHE 35 -11.504 26.598 2.094 1.00 33.14 ATOM 542 CG PHE 35 -12.396 24.933 1.165 1.00 32.30 ATOM 543 CD1 PHE 35 -12.148 23.617 0.807 1.00 62.22 ATOM 544 HD1 PHE 35 -11.439 23.037 1.380 1.00 30.31 ATOM 545 CD2 PHE 35 -13.312 25.661 0.419 1.00 15.24 ATOM 546 HD2 PHE 35 -13.517 26.687 0.685 1.00 3.32 ATOM 547 CE1 PHE 35 -12.797 23.041 -0.266 1.00 74.33 ATOM 548 HE1 PHE 35 -12.593 22.012 -0.533 1.00 2.13 ATOM 549 CE2 PHE 35 -13.965 25.087 -0.656 1.00 4.31 ATOM 550 HE2 PHE 35 -14.677 25.665 -1.227 1.00 45.13 ATOM 551 CZ PHE 35 -13.708 23.777 -0.999 1.00 51.14 ATOM 552 HZ PHE 35 -14.217 23.327 -1.841 1.00 13.14 ATOM 553 C PHE 35 -13.551 26.502 3.760 1.00 61.44 ATOM 554 O PHE 35 -14.706 26.199 3.459 1.00 74.14 ATOM 555 N PRO 36 -13.229 27.750 4.180 1.00 74.10 ATOM 556 CA PRO 36 -14.238 28.806 4.420 1.00 14.42 ATOM 557 HA PRO 36 -15.013 28.455 5.088 1.00 43.31 ATOM 558 CB PRO 36 -13.427 29.904 5.121 1.00 75.03 ATOM 559 HB1 PRO 36 -13.481 29.770 6.192 1.00 38.07 ATOM 560 HB2 PRO 36 -13.817 30.877 4.856 1.00 33.53 ATOM 561 CG PRO 36 -12.036 29.716 4.621 1.00 74.32 ATOM 562 HG1 PRO 36 -11.329 30.104 5.342 1.00 38.07 ATOM 563 HG2 PRO 36 -11.915 30.216 3.669 1.00 71.23 ATOM 564 CD PRO 36 -11.858 28.230 4.460 1.00 2.11 ATOM 565 HD1 PRO 36 -11.476 27.791 5.372 1.00 38.07 ATOM 566 HD2 PRO 36 -11.198 28.014 3.633 1.00 24.33 ATOM 567 C PRO 36 -14.894 29.364 3.140 1.00 11.10 ATOM 568 O PRO 36 -14.300 29.361 2.058 1.00 22.31 ATOM 569 N THR 37 -16.112 29.891 3.297 1.00 72.02 ATOM 570 HN THR 37 -16.494 29.930 4.199 1.00 38.07 ATOM 571 CA THR 37 -16.903 30.423 2.173 1.00 21.31 ATOM 572 HA THR 37 -16.955 29.661 1.409 1.00 62.45 ATOM 573 CB THR 37 -18.345 30.762 2.617 1.00 4.12 ATOM 574 HB THR 37 -18.907 31.086 1.750 1.00 30.51 ATOM 575 OG1 THR 37 -18.320 31.827 3.582 1.00 0.32 ATOM 576 HG1 THR 37 -18.964 31.649 4.279 1.00 54.12 ATOM 577 CG2 THR 37 -19.033 29.539 3.215 1.00 2.34 ATOM 578 HG21 THR 37 -20.021 29.812 3.559 1.00 72.41 ATOM 579 HG22 THR 37 -18.453 29.169 4.047 1.00 4.42 ATOM 580 HG23 THR 37 -19.115 28.768 2.464 1.00 45.42 ATOM 581 C THR 37 -16.281 31.693 1.572 1.00 43.45 ATOM 582 O THR 37 -16.283 31.879 0.355 1.00 2.12 ATOM 583 N ASP 38 -15.762 32.567 2.435 1.00 43.54 ATOM 584 HN ASP 38 -15.789 32.358 3.395 1.00 38.07 ATOM 585 CA ASP 38 -15.172 33.841 2.005 1.00 42.14 ATOM 586 HA ASP 38 -15.964 34.448 1.596 1.00 12.35 ATOM 587 CB ASP 38 -14.570 34.560 3.213 1.00 51.12 ATOM 588 HB1 ASP 38 -14.297 35.567 2.931 1.00 38.07 ATOM 589 HB2 ASP 38 -13.683 34.031 3.538 1.00 31.11 ATOM 590 CG ASP 38 -15.551 34.629 4.370 1.00 45.31 ATOM 591 OD1 ASP 38 -15.520 33.724 5.231 1.00 50.51 ATOM 592 OD2 ASP 38 -16.367 35.572 4.414 1.00 72.35 ATOM 593 C ASP 38 -14.100 33.634 0.922 1.00 71.12 ATOM 594 O ASP 38 -14.136 34.269 -0.135 1.00 25.11 ATOM 595 N LYS 39 -13.155 32.730 1.188 1.00 62.54 ATOM 596 HN LYS 39 -13.158 32.282 2.060 1.00 38.07 ATOM 597 CA LYS 39 -12.109 32.398 0.216 1.00 14.24 ATOM 598 HA LYS 39 -11.553 33.303 0.015 1.00 43.34 ATOM 599 CB LYS 39 -11.152 31.347 0.803 1.00 32.23 ATOM 600 HB1 LYS 39 -11.722 30.470 1.075 1.00 38.07 ATOM 601 HB2 LYS 39 -10.692 31.756 1.692 1.00 3.14 ATOM 602 CG LYS 39 -10.042 30.919 -0.159 1.00 51.23 ATOM 603 HG1 LYS 39 -9.516 31.802 -0.498 1.00 38.07 ATOM 604 HG2 LYS 39 -10.488 30.423 -1.009 1.00 51.12 ATOM 605 CD LYS 39 -9.037 29.966 0.491 1.00 4.22 ATOM 606 HD1 LYS 39 -8.365 29.597 -0.272 1.00 38.07 ATOM 607 HD2 LYS 39 -9.572 29.134 0.931 1.00 34.22 ATOM 608 CE LYS 39 -8.219 30.655 1.581 1.00 14.42 ATOM 609 HE1 LYS 39 -8.878 30.926 2.394 1.00 38.07 ATOM 610 HE2 LYS 39 -7.771 31.547 1.169 1.00 42.32 ATOM 611 NZ LYS 39 -7.141 29.776 2.106 1.00 63.23 ATOM 612 HZ1 LYS 39 -6.607 30.268 2.850 1.00 50.32 ATOM 613 HZ2 LYS 39 -6.484 29.516 1.341 1.00 71.14 ATOM 614 HZ3 LYS 39 -7.547 28.908 2.505 1.00 13.31 ATOM 615 C LYS 39 -12.719 31.894 -1.106 1.00 70.42 ATOM 616 O LYS 39 -12.305 32.310 -2.188 1.00 11.44 ATOM 617 N ILE 40 -13.716 31.012 -1.001 1.00 11.42 ATOM 618 HN ILE 40 -13.978 30.701 -0.109 1.00 38.07 ATOM 619 CA ILE 40 -14.438 30.492 -2.174 1.00 64.44 ATOM 620 HA ILE 40 -13.768 29.838 -2.717 1.00 5.53 ATOM 621 CB ILE 40 -15.682 29.669 -1.741 1.00 64.52 ATOM 622 HB ILE 40 -16.307 30.308 -1.132 1.00 14.04 ATOM 623 CG1 ILE 40 -15.264 28.446 -0.907 1.00 24.12 ATOM 624 HG11 ILE 40 -14.670 28.777 -0.065 1.00 38.07 ATOM 625 HG12 ILE 40 -14.668 27.787 -1.520 1.00 12.33 ATOM 626 CG2 ILE 40 -16.502 29.243 -2.959 1.00 41.41 ATOM 627 HG21 ILE 40 -17.351 28.658 -2.636 1.00 25.34 ATOM 628 HG22 ILE 40 -15.888 28.649 -3.620 1.00 44.40 ATOM 629 HG23 ILE 40 -16.851 30.120 -3.485 1.00 43.13 ATOM 630 CD1 ILE 40 -16.433 27.643 -0.364 1.00 33.01 ATOM 631 HD11 ILE 40 -17.028 27.270 -1.184 1.00 11.01 ATOM 632 HD12 ILE 40 -17.045 28.274 0.264 1.00 50.41 ATOM 633 HD13 ILE 40 -16.061 26.812 0.218 1.00 24.22 ATOM 634 C ILE 40 -14.902 31.623 -3.105 1.00 72.34 ATOM 635 O ILE 40 -14.693 31.577 -4.318 1.00 32.03 ATOM 636 N VAL 41 -15.535 32.637 -2.522 1.00 0.33 ATOM 637 HN VAL 41 -15.648 32.627 -1.546 1.00 38.07 ATOM 638 CA VAL 41 -16.069 33.765 -3.288 1.00 40.45 ATOM 639 HA VAL 41 -16.662 33.364 -4.100 1.00 3.13 ATOM 640 CB VAL 41 -16.993 34.640 -2.402 1.00 5.10 ATOM 641 HB VAL 41 -16.398 35.041 -1.591 1.00 32.44 ATOM 642 CG1 VAL 41 -17.566 35.816 -3.193 1.00 31.40 ATOM 643 HG11 VAL 41 -16.757 36.420 -3.578 1.00 63.44 ATOM 644 HG12 VAL 41 -18.187 36.419 -2.546 1.00 10.55 ATOM 645 HG13 VAL 41 -18.160 35.443 -4.015 1.00 1.31 ATOM 646 CG2 VAL 41 -18.114 33.799 -1.794 1.00 42.12 ATOM 647 HG21 VAL 41 -18.715 33.370 -2.584 1.00 54.02 ATOM 648 HG22 VAL 41 -18.735 34.423 -1.168 1.00 42.33 ATOM 649 HG23 VAL 41 -17.686 33.006 -1.197 1.00 11.22 ATOM 650 C VAL 41 -14.949 34.644 -3.874 1.00 3.11 ATOM 651 O VAL 41 -15.039 35.101 -5.017 1.00 20.33 ATOM 652 N ASN 42 -13.888 34.864 -3.095 1.00 33.42 ATOM 653 HN ASN 42 -13.814 34.384 -2.241 1.00 38.07 ATOM 654 CA ASN 42 -12.816 35.793 -3.495 1.00 70.14 ATOM 655 HA ASN 42 -13.294 36.661 -3.926 1.00 32.21 ATOM 656 CB ASN 42 -12.007 36.255 -2.271 1.00 60.42 ATOM 657 HB1 ASN 42 -11.122 36.775 -2.610 1.00 38.07 ATOM 658 HB2 ASN 42 -11.710 35.390 -1.695 1.00 13.45 ATOM 659 CG ASN 42 -12.792 37.189 -1.359 1.00 32.42 ATOM 660 OD1 ASN 42 -12.236 38.115 -0.780 1.00 74.32 ATOM 661 ND2 ASN 42 -14.081 36.958 -1.214 1.00 53.52 ATOM 662 HD21 ASN 42 -14.475 36.204 -1.692 1.00 44.35 ATOM 663 HD22 ASN 42 -14.588 37.555 -0.631 1.00 10.02 ATOM 664 C ASN 42 -11.871 35.202 -4.557 1.00 72.41 ATOM 665 O ASN 42 -11.270 35.947 -5.340 1.00 43.13 ATOM 666 N LEU 43 -11.729 33.878 -4.585 1.00 32.40 ATOM 667 HN LEU 43 -12.218 33.331 -3.933 1.00 38.07 ATOM 668 CA LEU 43 -10.856 33.218 -5.571 1.00 0.52 ATOM 669 HA LEU 43 -9.901 33.721 -5.539 1.00 24.15 ATOM 670 CB LEU 43 -10.640 31.737 -5.211 1.00 41.24 ATOM 671 HB1 LEU 43 -10.143 31.257 -6.042 1.00 38.07 ATOM 672 HB2 LEU 43 -11.612 31.277 -5.084 1.00 0.33 ATOM 673 CG LEU 43 -9.811 31.477 -3.939 1.00 24.14 ATOM 674 HG LEU 43 -10.341 31.880 -3.087 1.00 71.33 ATOM 675 CD1 LEU 43 -9.632 29.978 -3.706 1.00 23.52 ATOM 676 HD11 LEU 43 -9.065 29.820 -2.800 1.00 33.31 ATOM 677 HD12 LEU 43 -9.103 29.540 -4.541 1.00 52.34 ATOM 678 HD13 LEU 43 -10.601 29.509 -3.608 1.00 74.00 ATOM 679 CD2 LEU 43 -8.453 32.177 -4.022 1.00 0.31 ATOM 680 HD21 LEU 43 -7.905 31.805 -4.877 1.00 2.02 ATOM 681 HD22 LEU 43 -7.890 31.980 -3.122 1.00 61.00 ATOM 682 HD23 LEU 43 -8.601 33.243 -4.124 1.00 30.21 ATOM 683 C LEU 43 -11.416 33.328 -7.003 1.00 51.43 ATOM 684 O LEU 43 -12.595 33.050 -7.243 1.00 34.11 ATOM 685 N PRO 44 -10.577 33.750 -7.973 1.00 65.23 ATOM 686 CA PRO 44 -10.977 33.831 -9.393 1.00 34.00 ATOM 687 HA PRO 44 -11.875 34.424 -9.508 1.00 24.34 ATOM 688 CB PRO 44 -9.799 34.553 -10.058 1.00 52.24 ATOM 689 HB1 PRO 44 -10.016 35.608 -10.130 1.00 38.07 ATOM 690 HB2 PRO 44 -9.637 34.149 -11.049 1.00 22.51 ATOM 691 CG PRO 44 -8.632 34.297 -9.162 1.00 34.23 ATOM 692 HG1 PRO 44 -7.929 35.116 -9.232 1.00 38.07 ATOM 693 HG2 PRO 44 -8.150 33.368 -9.439 1.00 33.11 ATOM 694 CD PRO 44 -9.186 34.201 -7.765 1.00 14.35 ATOM 695 HD1 PRO 44 -9.164 35.168 -7.283 1.00 38.07 ATOM 696 HD2 PRO 44 -8.629 33.478 -7.186 1.00 51.21 ATOM 697 C PRO 44 -11.207 32.447 -10.034 1.00 30.34 ATOM 698 O PRO 44 -11.060 31.419 -9.378 1.00 65.32 ATOM 699 N VAL 45 -11.544 32.431 -11.330 1.00 32.42 ATOM 700 HN VAL 45 -11.506 33.270 -11.840 1.00 38.07 ATOM 701 CA VAL 45 -11.969 31.198 -12.016 1.00 42.45 ATOM 702 HA VAL 45 -12.894 30.890 -11.547 1.00 61.21 ATOM 703 CB VAL 45 -12.285 31.463 -13.518 1.00 55.33 ATOM 704 HB VAL 45 -13.109 32.164 -13.564 1.00 71.31 ATOM 705 CG1 VAL 45 -11.096 32.101 -14.235 1.00 23.43 ATOM 706 HG11 VAL 45 -10.827 33.020 -13.736 1.00 5.52 ATOM 707 HG12 VAL 45 -11.364 32.315 -15.260 1.00 50.24 ATOM 708 HG13 VAL 45 -10.256 31.421 -14.218 1.00 50.04 ATOM 709 CG2 VAL 45 -12.726 30.176 -14.223 1.00 1.35 ATOM 710 HG21 VAL 45 -13.580 29.754 -13.710 1.00 1.41 ATOM 711 HG22 VAL 45 -11.915 29.460 -14.218 1.00 52.44 ATOM 712 HG23 VAL 45 -12.998 30.400 -15.244 1.00 5.13 ATOM 713 C VAL 45 -10.962 30.027 -11.883 1.00 51.02 ATOM 714 O VAL 45 -11.323 28.957 -11.387 1.00 41.54 ATOM 715 N ASP 46 -9.708 30.224 -12.304 1.00 30.14 ATOM 716 HN ASP 46 -9.442 31.113 -12.621 1.00 38.07 ATOM 717 CA ASP 46 -8.711 29.141 -12.287 1.00 1.43 ATOM 718 HA ASP 46 -9.137 28.302 -12.820 1.00 45.31 ATOM 719 CB ASP 46 -7.426 29.575 -13.006 1.00 72.20 ATOM 720 HB1 ASP 46 -6.677 28.802 -12.895 1.00 38.07 ATOM 721 HB2 ASP 46 -7.057 30.487 -12.557 1.00 74.43 ATOM 722 CG ASP 46 -7.648 29.822 -14.487 1.00 41.12 ATOM 723 OD1 ASP 46 -8.071 30.936 -14.856 1.00 5.22 ATOM 724 OD2 ASP 46 -7.402 28.901 -15.294 1.00 13.44 ATOM 725 C ASP 46 -8.386 28.687 -10.854 1.00 11.54 ATOM 726 O ASP 46 -8.400 27.492 -10.553 1.00 72.43 ATOM 727 N ASP 47 -8.101 29.646 -9.972 1.00 53.15 ATOM 728 HN ASP 47 -8.104 30.584 -10.269 1.00 38.07 ATOM 729 CA ASP 47 -7.781 29.342 -8.572 1.00 55.14 ATOM 730 HA ASP 47 -6.923 28.682 -8.568 1.00 15.32 ATOM 731 CB ASP 47 -7.413 30.630 -7.831 1.00 11.22 ATOM 732 HB1 ASP 47 -7.219 30.403 -6.792 1.00 38.07 ATOM 733 HB2 ASP 47 -8.241 31.326 -7.894 1.00 65.35 ATOM 734 CG ASP 47 -6.181 31.284 -8.427 1.00 3.43 ATOM 735 OD1 ASP 47 -5.076 31.114 -7.868 1.00 75.22 ATOM 736 OD2 ASP 47 -6.310 31.953 -9.473 1.00 22.22 ATOM 737 C ASP 47 -8.949 28.631 -7.872 1.00 61.01 ATOM 738 O ASP 47 -8.743 27.757 -7.027 1.00 61.14 ATOM 739 N PHE 48 -10.171 29.007 -8.240 1.00 61.33 ATOM 740 HN PHE 48 -10.264 29.759 -8.864 1.00 38.07 ATOM 741 CA PHE 48 -11.378 28.345 -7.742 1.00 42.51 ATOM 742 HA PHE 48 -11.371 28.414 -6.663 1.00 41.35 ATOM 743 CB PHE 48 -12.623 29.067 -8.279 1.00 75.34 ATOM 744 HB1 PHE 48 -12.560 29.118 -9.358 1.00 38.07 ATOM 745 HB2 PHE 48 -12.645 30.072 -7.882 1.00 41.13 ATOM 746 CG PHE 48 -13.925 28.399 -7.917 1.00 74.53 ATOM 747 CD1 PHE 48 -14.604 27.621 -8.847 1.00 34.42 ATOM 748 HD1 PHE 48 -14.193 27.498 -9.840 1.00 55.32 ATOM 749 CD2 PHE 48 -14.468 28.545 -6.649 1.00 32.32 ATOM 750 HD2 PHE 48 -13.950 29.147 -5.916 1.00 23.51 ATOM 751 CE1 PHE 48 -15.795 27.006 -8.517 1.00 71.32 ATOM 752 HE1 PHE 48 -16.315 26.403 -9.248 1.00 54.14 ATOM 753 CE2 PHE 48 -15.659 27.932 -6.317 1.00 40.34 ATOM 754 HE2 PHE 48 -16.071 28.053 -5.326 1.00 15.21 ATOM 755 CZ PHE 48 -16.323 27.162 -7.250 1.00 13.31 ATOM 756 HZ PHE 48 -17.252 26.680 -6.990 1.00 72.43 ATOM 757 C PHE 48 -11.405 26.859 -8.147 1.00 44.55 ATOM 758 O PHE 48 -11.622 25.977 -7.312 1.00 10.12 ATOM 759 N ASN 49 -11.183 26.593 -9.436 1.00 63.30 ATOM 760 HN ASN 49 -11.051 27.340 -10.062 1.00 38.07 ATOM 761 CA ASN 49 -11.132 25.217 -9.945 1.00 61.13 ATOM 762 HA ASN 49 -12.082 24.748 -9.724 1.00 23.12 ATOM 763 CB ASN 49 -10.927 25.229 -11.464 1.00 31.44 ATOM 764 HB1 ASN 49 -10.859 24.211 -11.823 1.00 38.07 ATOM 765 HB2 ASN 49 -10.005 25.747 -11.691 1.00 23.22 ATOM 766 CG ASN 49 -12.062 25.923 -12.199 1.00 74.44 ATOM 767 OD1 ASN 49 -13.212 25.887 -11.772 1.00 12.41 ATOM 768 ND2 ASN 49 -11.751 26.558 -13.313 1.00 53.52 ATOM 769 HD21 ASN 49 -10.817 26.553 -13.606 1.00 4.23 ATOM 770 HD22 ASN 49 -12.470 27.010 -13.797 1.00 54.11 ATOM 771 C ASN 49 -10.014 24.416 -9.255 1.00 72.23 ATOM 772 O ASN 49 -10.189 23.241 -8.921 1.00 32.24 ATOM 773 N GLU 50 -8.867 25.064 -9.043 1.00 50.33 ATOM 774 HN GLU 50 -8.758 25.967 -9.409 1.00 38.07 ATOM 775 CA GLU 50 -7.763 24.467 -8.283 1.00 72.23 ATOM 776 HA GLU 50 -7.448 23.574 -8.805 1.00 24.43 ATOM 777 CB GLU 50 -6.574 25.440 -8.200 1.00 51.54 ATOM 778 HB1 GLU 50 -5.908 25.111 -7.413 1.00 38.07 ATOM 779 HB2 GLU 50 -6.946 26.425 -7.949 1.00 70.42 ATOM 780 CG GLU 50 -5.767 25.550 -9.490 1.00 13.14 ATOM 781 HG1 GLU 50 -5.030 26.332 -9.375 1.00 38.07 ATOM 782 HG2 GLU 50 -6.437 25.809 -10.299 1.00 72.00 ATOM 783 CD GLU 50 -5.053 24.252 -9.839 1.00 10.31 ATOM 784 OE1 GLU 50 -5.546 23.503 -10.710 1.00 75.32 ATOM 785 OE2 GLU 50 -3.999 23.965 -9.228 1.00 31.52 ATOM 786 C GLU 50 -8.212 24.076 -6.871 1.00 35.10 ATOM 787 O GLU 50 -7.978 22.954 -6.427 1.00 33.25 ATOM 788 N LEU 51 -8.871 25.004 -6.180 1.00 1.14 ATOM 789 HN LEU 51 -9.014 25.886 -6.587 1.00 38.07 ATOM 790 CA LEU 51 -9.387 24.755 -4.829 1.00 74.03 ATOM 791 HA LEU 51 -8.539 24.650 -4.164 1.00 63.40 ATOM 792 CB LEU 51 -10.235 25.952 -4.372 1.00 41.32 ATOM 793 HB1 LEU 51 -11.086 26.032 -5.035 1.00 38.07 ATOM 794 HB2 LEU 51 -9.637 26.848 -4.479 1.00 63.33 ATOM 795 CG LEU 51 -10.757 25.889 -2.926 1.00 35.31 ATOM 796 HG LEU 51 -11.294 24.962 -2.787 1.00 73.43 ATOM 797 CD1 LEU 51 -9.602 25.911 -1.929 1.00 43.20 ATOM 798 HD11 LEU 51 -8.952 25.068 -2.114 1.00 1.24 ATOM 799 HD12 LEU 51 -9.990 25.850 -0.922 1.00 3.22 ATOM 800 HD13 LEU 51 -9.042 26.829 -2.043 1.00 32.12 ATOM 801 CD2 LEU 51 -11.727 27.039 -2.656 1.00 33.20 ATOM 802 HD21 LEU 51 -12.554 26.980 -3.348 1.00 15.33 ATOM 803 HD22 LEU 51 -11.218 27.983 -2.786 1.00 21.24 ATOM 804 HD23 LEU 51 -12.100 26.968 -1.644 1.00 24.14 ATOM 805 C LEU 51 -10.224 23.462 -4.782 1.00 12.40 ATOM 806 O LEU 51 -10.057 22.627 -3.889 1.00 11.42 ATOM 807 N LEU 52 -11.114 23.297 -5.759 1.00 15.22 ATOM 808 HN LEU 52 -11.224 24.009 -6.427 1.00 38.07 ATOM 809 CA LEU 52 -11.941 22.087 -5.862 1.00 53.11 ATOM 810 HA LEU 52 -12.451 21.957 -4.919 1.00 22.20 ATOM 811 CB LEU 52 -12.989 22.255 -6.973 1.00 72.11 ATOM 812 HB1 LEU 52 -13.547 21.332 -7.054 1.00 38.07 ATOM 813 HB2 LEU 52 -12.467 22.422 -7.906 1.00 73.23 ATOM 814 CG LEU 52 -13.991 23.404 -6.769 1.00 44.54 ATOM 815 HG LEU 52 -13.449 24.342 -6.722 1.00 10.00 ATOM 816 CD1 LEU 52 -14.962 23.490 -7.945 1.00 43.42 ATOM 817 HD11 LEU 52 -14.408 23.642 -8.860 1.00 35.30 ATOM 818 HD12 LEU 52 -15.639 24.319 -7.795 1.00 40.32 ATOM 819 HD13 LEU 52 -15.529 22.572 -8.014 1.00 2.44 ATOM 820 CD2 LEU 52 -14.746 23.232 -5.453 1.00 34.12 ATOM 821 HD21 LEU 52 -15.279 22.291 -5.460 1.00 43.22 ATOM 822 HD22 LEU 52 -15.452 24.042 -5.333 1.00 53.03 ATOM 823 HD23 LEU 52 -14.046 23.244 -4.630 1.00 24.32 ATOM 824 C LEU 52 -11.090 20.832 -6.138 1.00 35.11 ATOM 825 O LEU 52 -11.382 19.746 -5.638 1.00 34.03 ATOM 826 N ALA 53 -10.040 20.992 -6.937 1.00 41.23 ATOM 827 HN ALA 53 -9.844 21.888 -7.288 1.00 38.07 ATOM 828 CA ALA 53 -9.172 19.869 -7.318 1.00 14.33 ATOM 829 HA ALA 53 -9.803 19.008 -7.487 1.00 70.15 ATOM 830 CB ALA 53 -8.459 20.190 -8.628 1.00 25.10 ATOM 831 HB1 ALA 53 -7.889 19.330 -8.950 1.00 73.41 ATOM 832 HB2 ALA 53 -7.793 21.030 -8.483 1.00 41.43 ATOM 833 HB3 ALA 53 -9.191 20.439 -9.383 1.00 61.50 ATOM 834 C ALA 53 -8.147 19.519 -6.226 1.00 22.11 ATOM 835 O ALA 53 -7.597 18.416 -6.211 1.00 22.31 ATOM 836 N ARG 54 -7.893 20.456 -5.316 1.00 11.14 ATOM 837 HN ARG 54 -8.397 21.297 -5.346 1.00 38.07 ATOM 838 CA ARG 54 -6.870 20.274 -4.275 1.00 75.11 ATOM 839 HA ARG 54 -6.152 19.555 -4.645 1.00 73.24 ATOM 840 CB ARG 54 -6.141 21.603 -4.031 1.00 71.45 ATOM 841 HB1 ARG 54 -5.454 21.483 -3.204 1.00 38.07 ATOM 842 HB2 ARG 54 -6.870 22.360 -3.775 1.00 70.34 ATOM 843 CG ARG 54 -5.352 22.084 -5.246 1.00 63.23 ATOM 844 HG1 ARG 54 -6.020 22.156 -6.093 1.00 38.07 ATOM 845 HG2 ARG 54 -4.576 21.365 -5.465 1.00 12.13 ATOM 846 CD ARG 54 -4.709 23.444 -5.012 1.00 15.42 ATOM 847 HD1 ARG 54 -4.032 23.370 -4.173 1.00 38.07 ATOM 848 HD2 ARG 54 -5.485 24.160 -4.783 1.00 74.15 ATOM 849 NE ARG 54 -3.968 23.906 -6.186 1.00 72.32 ATOM 850 HE ARG 54 -4.324 23.676 -7.066 1.00 43.10 ATOM 851 CZ ARG 54 -2.876 24.616 -6.133 1.00 30.02 ATOM 852 NH1 ARG 54 -2.341 24.914 -4.994 1.00 41.41 ATOM 853 HH11 ARG 54 -2.764 24.599 -4.149 1.00 32.25 ATOM 854 HH12 ARG 54 -1.507 25.457 -4.963 1.00 61.11 ATOM 855 NH2 ARG 54 -2.313 25.010 -7.229 1.00 13.24 ATOM 856 HH21 ARG 54 -2.716 24.768 -8.112 1.00 3.21 ATOM 857 HH22 ARG 54 -1.476 25.554 -7.194 1.00 12.23 ATOM 858 C ARG 54 -7.452 19.729 -2.958 1.00 55.21 ATOM 859 O ARG 54 -6.731 19.579 -1.970 1.00 11.21 ATOM 860 N TYR 55 -8.749 19.430 -2.941 1.00 63.41 ATOM 861 HN TYR 55 -9.288 19.596 -3.743 1.00 38.07 ATOM 862 CA TYR 55 -9.396 18.861 -1.750 1.00 33.41 ATOM 863 HA TYR 55 -8.615 18.537 -1.074 1.00 74.54 ATOM 864 CB TYR 55 -10.249 19.923 -1.042 1.00 41.42 ATOM 865 HB1 TYR 55 -10.904 19.434 -0.331 1.00 38.07 ATOM 866 HB2 TYR 55 -10.851 20.439 -1.776 1.00 22.43 ATOM 867 CG TYR 55 -9.433 20.961 -0.290 1.00 43.13 ATOM 868 CD1 TYR 55 -9.050 20.744 1.031 1.00 24.50 ATOM 869 HD1 TYR 55 -9.343 19.825 1.521 1.00 44.21 ATOM 870 CD2 TYR 55 -9.043 22.150 -0.897 1.00 15.32 ATOM 871 HD2 TYR 55 -9.331 22.336 -1.923 1.00 3.32 ATOM 872 CE1 TYR 55 -8.306 21.682 1.723 1.00 63.12 ATOM 873 HE1 TYR 55 -8.018 21.493 2.748 1.00 24.35 ATOM 874 CE2 TYR 55 -8.300 23.090 -0.210 1.00 23.03 ATOM 875 HE2 TYR 55 -8.008 24.008 -0.700 1.00 5.43 ATOM 876 CZ TYR 55 -7.934 22.852 1.097 1.00 43.45 ATOM 877 OH TYR 55 -7.196 23.792 1.785 1.00 31.41 ATOM 878 HH TYR 55 -7.599 24.664 1.659 1.00 70.34 ATOM 879 C TYR 55 -10.267 17.644 -2.100 1.00 64.30 ATOM 880 O TYR 55 -10.822 17.558 -3.196 1.00 62.14 ATOM 881 N PRO 56 -10.389 16.670 -1.174 1.00 11.35 ATOM 882 CA PRO 56 -11.267 15.505 -1.367 1.00 21.12 ATOM 883 HA PRO 56 -11.112 15.058 -2.338 1.00 52.44 ATOM 884 CB PRO 56 -10.803 14.530 -0.274 1.00 11.11 ATOM 885 HB1 PRO 56 -10.033 13.883 -0.668 1.00 38.07 ATOM 886 HB2 PRO 56 -11.638 13.934 0.069 1.00 15.23 ATOM 887 CG PRO 56 -10.273 15.409 0.810 1.00 13.23 ATOM 888 HG1 PRO 56 -9.515 14.884 1.373 1.00 38.07 ATOM 889 HG2 PRO 56 -11.079 15.713 1.463 1.00 33.41 ATOM 890 CD PRO 56 -9.675 16.614 0.122 1.00 40.12 ATOM 891 HD1 PRO 56 -8.613 16.475 -0.030 1.00 38.07 ATOM 892 HD2 PRO 56 -9.860 17.508 0.700 1.00 12.32 ATOM 893 C PRO 56 -12.757 15.864 -1.213 1.00 62.44 ATOM 894 O PRO 56 -13.340 15.746 -0.127 1.00 0.14 ATOM 895 N LEU 57 -13.362 16.327 -2.304 1.00 3.34 ATOM 896 HN LEU 57 -12.849 16.399 -3.137 1.00 38.07 ATOM 897 CA LEU 57 -14.771 16.737 -2.301 1.00 72.00 ATOM 898 HA LEU 57 -15.149 16.631 -1.294 1.00 63.13 ATOM 899 CB LEU 57 -14.902 18.206 -2.727 1.00 61.21 ATOM 900 HB1 LEU 57 -15.947 18.483 -2.665 1.00 38.07 ATOM 901 HB2 LEU 57 -14.590 18.291 -3.761 1.00 55.32 ATOM 902 CG LEU 57 -14.092 19.213 -1.896 1.00 33.40 ATOM 903 HG LEU 57 -13.042 18.964 -1.966 1.00 45.02 ATOM 904 CD1 LEU 57 -14.270 20.624 -2.447 1.00 23.15 ATOM 905 HD11 LEU 57 -13.676 21.313 -1.866 1.00 44.45 ATOM 906 HD12 LEU 57 -15.310 20.910 -2.387 1.00 75.15 ATOM 907 HD13 LEU 57 -13.946 20.655 -3.479 1.00 45.04 ATOM 908 CD2 LEU 57 -14.495 19.150 -0.423 1.00 52.11 ATOM 909 HD21 LEU 57 -13.911 19.859 0.145 1.00 43.41 ATOM 910 HD22 LEU 57 -14.317 18.154 -0.042 1.00 43.43 ATOM 911 HD23 LEU 57 -15.545 19.389 -0.325 1.00 1.40 ATOM 912 C LEU 57 -15.613 15.864 -3.240 1.00 64.43 ATOM 913 O LEU 57 -15.240 15.637 -4.392 1.00 74.14 ATOM 914 N THR 58 -16.742 15.373 -2.739 1.00 13.35 ATOM 915 HN THR 58 -16.934 15.510 -1.792 1.00 38.07 ATOM 916 CA THR 58 -17.695 14.618 -3.560 1.00 2.31 ATOM 917 HA THR 58 -17.143 13.844 -4.083 1.00 30.12 ATOM 918 CB THR 58 -18.785 13.936 -2.696 1.00 65.45 ATOM 919 HB THR 58 -19.435 13.368 -3.349 1.00 55.21 ATOM 920 OG1 THR 58 -19.566 14.922 -2.007 1.00 62.10 ATOM 921 HG1 THR 58 -19.163 15.109 -1.150 1.00 31.30 ATOM 922 CG2 THR 58 -18.161 12.980 -1.682 1.00 4.14 ATOM 923 HG21 THR 58 -17.625 12.201 -2.203 1.00 24.32 ATOM 924 HG22 THR 58 -18.938 12.539 -1.074 1.00 70.15 ATOM 925 HG23 THR 58 -17.476 13.525 -1.047 1.00 74.53 ATOM 926 C THR 58 -18.376 15.525 -4.597 1.00 4.15 ATOM 927 O THR 58 -18.486 16.736 -4.404 1.00 74.12 ATOM 928 N GLU 59 -18.851 14.924 -5.682 1.00 12.11 ATOM 929 HN GLU 59 -18.819 13.947 -5.723 1.00 38.07 ATOM 930 CA GLU 59 -19.422 15.657 -6.825 1.00 4.54 ATOM 931 HA GLU 59 -18.604 16.139 -7.343 1.00 53.24 ATOM 932 CB GLU 59 -20.079 14.650 -7.776 1.00 53.43 ATOM 933 HB1 GLU 59 -20.425 15.171 -8.657 1.00 38.07 ATOM 934 HB2 GLU 59 -20.926 14.196 -7.278 1.00 13.32 ATOM 935 CG GLU 59 -19.123 13.541 -8.217 1.00 40.12 ATOM 936 HG1 GLU 59 -18.621 13.148 -7.342 1.00 38.07 ATOM 937 HG2 GLU 59 -18.386 13.966 -8.884 1.00 10.01 ATOM 938 CD GLU 59 -19.819 12.396 -8.931 1.00 62.23 ATOM 939 OE1 GLU 59 -20.326 11.483 -8.241 1.00 51.02 ATOM 940 OE2 GLU 59 -19.839 12.387 -10.178 1.00 11.14 ATOM 941 C GLU 59 -20.434 16.742 -6.396 1.00 72.41 ATOM 942 O GLU 59 -20.397 17.871 -6.895 1.00 45.25 ATOM 943 N SER 60 -21.323 16.402 -5.461 1.00 65.24 ATOM 944 HN SER 60 -21.309 15.489 -5.104 1.00 38.07 ATOM 945 CA SER 60 -22.327 17.357 -4.957 1.00 35.12 ATOM 946 HA SER 60 -22.858 17.752 -5.810 1.00 63.10 ATOM 947 CB SER 60 -23.335 16.651 -4.036 1.00 35.34 ATOM 948 HB1 SER 60 -22.815 16.242 -3.179 1.00 38.07 ATOM 949 HB2 SER 60 -23.814 15.849 -4.578 1.00 23.45 ATOM 950 OG SER 60 -24.336 17.551 -3.577 1.00 31.41 ATOM 951 HG SER 60 -25.128 17.448 -4.119 1.00 64.54 ATOM 952 C SER 60 -21.672 18.526 -4.208 1.00 4.12 ATOM 953 O SER 60 -22.141 19.666 -4.274 1.00 2.40 ATOM 954 N GLN 61 -20.570 18.244 -3.511 1.00 63.01 ATOM 955 HN GLN 61 -20.231 17.324 -3.507 1.00 38.07 ATOM 956 CA GLN 61 -19.840 19.279 -2.768 1.00 44.51 ATOM 957 HA GLN 61 -20.542 19.739 -2.082 1.00 24.43 ATOM 958 CB GLN 61 -18.692 18.660 -1.957 1.00 35.22 ATOM 959 HB1 GLN 61 -18.054 19.454 -1.595 1.00 38.07 ATOM 960 HB2 GLN 61 -18.117 18.015 -2.605 1.00 11.11 ATOM 961 CG GLN 61 -19.155 17.839 -0.757 1.00 1.44 ATOM 962 HG1 GLN 61 -19.795 17.042 -1.106 1.00 38.07 ATOM 963 HG2 GLN 61 -19.715 18.481 -0.091 1.00 25.32 ATOM 964 CD GLN 61 -17.999 17.231 0.020 1.00 75.14 ATOM 965 OE1 GLN 61 -17.590 16.103 -0.226 1.00 71.22 ATOM 966 NE2 GLN 61 -17.463 17.974 0.960 1.00 53.23 ATOM 967 HE21 GLN 61 -17.826 18.867 1.106 1.00 44.32 ATOM 968 HE22 GLN 61 -16.724 17.598 1.481 1.00 33.52 ATOM 969 C GLN 61 -19.301 20.367 -3.707 1.00 1.32 ATOM 970 O GLN 61 -19.430 21.556 -3.423 1.00 33.11 ATOM 971 N LEU 62 -18.707 19.959 -4.834 1.00 31.23 ATOM 972 HN LEU 62 -18.597 18.999 -4.997 1.00 38.07 ATOM 973 CA LEU 62 -18.219 20.924 -5.831 1.00 22.02 ATOM 974 HA LEU 62 -17.503 21.569 -5.337 1.00 20.32 ATOM 975 CB LEU 62 -17.518 20.222 -7.015 1.00 71.32 ATOM 976 HB1 LEU 62 -17.341 20.962 -7.784 1.00 38.07 ATOM 977 HB2 LEU 62 -18.196 19.478 -7.413 1.00 10.33 ATOM 978 CG LEU 62 -16.172 19.531 -6.697 1.00 55.11 ATOM 979 HG LEU 62 -15.586 20.181 -6.059 1.00 13.54 ATOM 980 CD1 LEU 62 -16.376 18.222 -5.947 1.00 20.13 ATOM 981 HD11 LEU 62 -15.417 17.758 -5.765 1.00 63.52 ATOM 982 HD12 LEU 62 -16.991 17.557 -6.536 1.00 24.15 ATOM 983 HD13 LEU 62 -16.863 18.418 -5.002 1.00 14.12 ATOM 984 CD2 LEU 62 -15.373 19.297 -7.977 1.00 32.44 ATOM 985 HD21 LEU 62 -15.163 20.246 -8.448 1.00 2.22 ATOM 986 HD22 LEU 62 -15.947 18.678 -8.654 1.00 34.43 ATOM 987 HD23 LEU 62 -14.444 18.801 -7.737 1.00 71.12 ATOM 988 C LEU 62 -19.375 21.794 -6.352 1.00 1.42 ATOM 989 O LEU 62 -19.246 23.013 -6.467 1.00 52.52 ATOM 990 N ALA 63 -20.508 21.154 -6.652 1.00 74.43 ATOM 991 HN ALA 63 -20.533 20.175 -6.573 1.00 38.07 ATOM 992 CA ALA 63 -21.712 21.865 -7.103 1.00 51.35 ATOM 993 HA ALA 63 -21.474 22.364 -8.032 1.00 54.14 ATOM 994 CB ALA 63 -22.840 20.874 -7.372 1.00 61.53 ATOM 995 HB1 ALA 63 -23.711 21.405 -7.727 1.00 21.04 ATOM 996 HB2 ALA 63 -23.086 20.347 -6.460 1.00 62.42 ATOM 997 HB3 ALA 63 -22.524 20.164 -8.122 1.00 11.15 ATOM 998 C ALA 63 -22.169 22.917 -6.078 1.00 61.22 ATOM 999 O ALA 63 -22.629 24.001 -6.443 1.00 23.23 ATOM 1000 N LEU 64 -22.049 22.578 -4.796 1.00 34.52 ATOM 1001 HN LEU 64 -21.731 21.677 -4.571 1.00 38.07 ATOM 1002 CA LEU 64 -22.380 23.507 -3.714 1.00 4.31 ATOM 1003 HA LEU 64 -23.385 23.870 -3.882 1.00 31.14 ATOM 1004 CB LEU 64 -22.330 22.785 -2.362 1.00 52.42 ATOM 1005 HB1 LEU 64 -21.352 22.336 -2.256 1.00 38.07 ATOM 1006 HB2 LEU 64 -23.070 21.995 -2.370 1.00 13.10 ATOM 1007 CG LEU 64 -22.586 23.677 -1.137 1.00 31.43 ATOM 1008 HG LEU 64 -21.885 24.501 -1.153 1.00 52.03 ATOM 1009 CD1 LEU 64 -23.997 24.265 -1.180 1.00 64.02 ATOM 1010 HD11 LEU 64 -24.723 23.465 -1.189 1.00 63.21 ATOM 1011 HD12 LEU 64 -24.111 24.863 -2.073 1.00 33.15 ATOM 1012 HD13 LEU 64 -24.155 24.885 -0.311 1.00 52.21 ATOM 1013 CD2 LEU 64 -22.356 22.897 0.154 1.00 4.20 ATOM 1014 HD21 LEU 64 -23.030 22.053 0.193 1.00 73.31 ATOM 1015 HD22 LEU 64 -22.539 23.542 1.002 1.00 20.15 ATOM 1016 HD23 LEU 64 -21.336 22.545 0.187 1.00 12.40 ATOM 1017 C LEU 64 -21.414 24.701 -3.699 1.00 71.30 ATOM 1018 O LEU 64 -21.838 25.856 -3.725 1.00 42.55 ATOM 1019 N VAL 65 -20.114 24.406 -3.666 1.00 4.14 ATOM 1020 HN VAL 65 -19.845 23.462 -3.660 1.00 38.07 ATOM 1021 CA VAL 65 -19.072 25.442 -3.632 1.00 61.42 ATOM 1022 HA VAL 65 -19.163 25.965 -2.691 1.00 11.25 ATOM 1023 CB VAL 65 -17.657 24.805 -3.698 1.00 62.14 ATOM 1024 HB VAL 65 -17.574 24.258 -4.627 1.00 51.52 ATOM 1025 CG1 VAL 65 -16.566 25.870 -3.679 1.00 1.13 ATOM 1026 HG11 VAL 65 -16.634 26.442 -2.765 1.00 5.32 ATOM 1027 HG12 VAL 65 -16.692 26.530 -4.524 1.00 3.12 ATOM 1028 HG13 VAL 65 -15.596 25.397 -3.735 1.00 74.20 ATOM 1029 CG2 VAL 65 -17.459 23.819 -2.550 1.00 24.55 ATOM 1030 HG21 VAL 65 -16.479 23.371 -2.625 1.00 70.21 ATOM 1031 HG22 VAL 65 -18.212 23.045 -2.603 1.00 32.11 ATOM 1032 HG23 VAL 65 -17.545 24.339 -1.606 1.00 3.22 ATOM 1033 C VAL 65 -19.235 26.462 -4.777 1.00 3.41 ATOM 1034 O VAL 65 -19.024 27.664 -4.591 1.00 31.01 ATOM 1035 N ARG 66 -19.630 25.979 -5.953 1.00 1.13 ATOM 1036 HN ARG 66 -19.761 25.011 -6.050 1.00 38.07 ATOM 1037 CA ARG 66 -19.870 26.854 -7.108 1.00 75.13 ATOM 1038 HA ARG 66 -18.971 27.433 -7.270 1.00 61.24 ATOM 1039 CB ARG 66 -20.147 26.013 -8.364 1.00 32.31 ATOM 1040 HB1 ARG 66 -20.308 26.679 -9.201 1.00 38.07 ATOM 1041 HB2 ARG 66 -21.043 25.429 -8.203 1.00 42.34 ATOM 1042 CG ARG 66 -19.009 25.059 -8.722 1.00 23.24 ATOM 1043 HG1 ARG 66 -18.843 24.384 -7.896 1.00 38.07 ATOM 1044 HG2 ARG 66 -18.114 25.639 -8.893 1.00 62.24 ATOM 1045 CD ARG 66 -19.302 24.240 -9.976 1.00 22.11 ATOM 1046 HD1 ARG 66 -20.243 23.725 -9.845 1.00 38.07 ATOM 1047 HD2 ARG 66 -18.512 23.513 -10.107 1.00 55.14 ATOM 1048 NE ARG 66 -19.384 25.078 -11.172 1.00 52.21 ATOM 1049 HE ARG 66 -20.022 25.821 -11.163 1.00 2.12 ATOM 1050 CZ ARG 66 -18.659 24.901 -12.244 1.00 0.24 ATOM 1051 NH1 ARG 66 -17.830 23.908 -12.321 1.00 51.11 ATOM 1052 HH11 ARG 66 -17.744 23.268 -11.560 1.00 24.24 ATOM 1053 HH12 ARG 66 -17.272 23.784 -13.140 1.00 13.33 ATOM 1054 NH2 ARG 66 -18.790 25.706 -13.249 1.00 41.15 ATOM 1055 HH21 ARG 66 -19.447 26.456 -13.202 1.00 2.43 ATOM 1056 HH22 ARG 66 -18.228 25.580 -14.065 1.00 23.42 ATOM 1057 C ARG 66 -21.034 27.827 -6.843 1.00 64.42 ATOM 1058 O ARG 66 -20.975 29.002 -7.218 1.00 4.43 ATOM 1059 N ASP 67 -22.086 27.333 -6.189 1.00 54.41 ATOM 1060 HN ASP 67 -22.095 26.380 -5.955 1.00 38.07 ATOM 1061 CA ASP 67 -23.227 28.172 -5.801 1.00 53.43 ATOM 1062 HA ASP 67 -23.550 28.720 -6.682 1.00 14.12 ATOM 1063 CB ASP 67 -24.385 27.290 -5.304 1.00 44.11 ATOM 1064 HB1 ASP 67 -24.039 26.695 -4.469 1.00 38.07 ATOM 1065 HB2 ASP 67 -24.689 26.628 -6.103 1.00 64.34 ATOM 1066 CG ASP 67 -25.606 28.089 -4.860 1.00 5.02 ATOM 1067 OD1 ASP 67 -26.054 27.920 -3.703 1.00 3.11 ATOM 1068 OD2 ASP 67 -26.142 28.875 -5.667 1.00 41.14 ATOM 1069 C ASP 67 -22.813 29.187 -4.724 1.00 74.31 ATOM 1070 O ASP 67 -23.157 30.362 -4.807 1.00 11.05 ATOM 1071 N ILE 68 -22.051 28.731 -3.730 1.00 63.23 ATOM 1072 HN ILE 68 -21.827 27.775 -3.703 1.00 38.07 ATOM 1073 CA ILE 68 -21.547 29.614 -2.669 1.00 15.23 ATOM 1074 HA ILE 68 -22.400 29.987 -2.117 1.00 41.42 ATOM 1075 CB ILE 68 -20.632 28.841 -1.682 1.00 33.34 ATOM 1076 HB ILE 68 -19.808 28.423 -2.245 1.00 53.45 ATOM 1077 CG1 ILE 68 -21.412 27.694 -1.015 1.00 35.40 ATOM 1078 HG11 ILE 68 -21.786 27.030 -1.782 1.00 38.07 ATOM 1079 HG12 ILE 68 -22.247 28.104 -0.465 1.00 62.24 ATOM 1080 CG2 ILE 68 -20.052 29.783 -0.625 1.00 22.13 ATOM 1081 HG21 ILE 68 -19.486 30.566 -1.108 1.00 2.20 ATOM 1082 HG22 ILE 68 -19.402 29.228 0.037 1.00 30.41 ATOM 1083 HG23 ILE 68 -20.857 30.222 -0.052 1.00 62.41 ATOM 1084 CD1 ILE 68 -20.585 26.868 -0.048 1.00 25.31 ATOM 1085 HD11 ILE 68 -19.757 26.415 -0.576 1.00 32.31 ATOM 1086 HD12 ILE 68 -21.202 26.093 0.383 1.00 32.14 ATOM 1087 HD13 ILE 68 -20.207 27.504 0.738 1.00 10.34 ATOM 1088 C ILE 68 -20.776 30.813 -3.252 1.00 24.43 ATOM 1089 O ILE 68 -20.943 31.952 -2.809 1.00 2.21 ATOM 1090 N ARG 69 -19.941 30.550 -4.260 1.00 63.14 ATOM 1091 HN ARG 69 -19.827 29.620 -4.554 1.00 38.07 ATOM 1092 CA ARG 69 -19.182 31.613 -4.926 1.00 3.22 ATOM 1093 HA ARG 69 -18.606 32.123 -4.167 1.00 12.40 ATOM 1094 CB ARG 69 -18.216 31.030 -5.969 1.00 21.22 ATOM 1095 HB1 ARG 69 -18.793 30.574 -6.761 1.00 38.07 ATOM 1096 HB2 ARG 69 -17.608 30.271 -5.496 1.00 1.44 ATOM 1097 CG ARG 69 -17.288 32.076 -6.589 1.00 72.00 ATOM 1098 HG1 ARG 69 -16.662 32.491 -5.811 1.00 38.07 ATOM 1099 HG2 ARG 69 -17.889 32.864 -7.021 1.00 40.25 ATOM 1100 CD ARG 69 -16.396 31.488 -7.679 1.00 21.45 ATOM 1101 HD1 ARG 69 -15.847 30.653 -7.266 1.00 38.07 ATOM 1102 HD2 ARG 69 -15.700 32.248 -8.003 1.00 60.35 ATOM 1103 NE ARG 69 -17.164 31.026 -8.835 1.00 51.32 ATOM 1104 HE ARG 69 -18.139 31.064 -8.776 1.00 43.32 ATOM 1105 CZ ARG 69 -16.628 30.571 -9.938 1.00 52.04 ATOM 1106 NH1 ARG 69 -15.340 30.520 -10.078 1.00 13.13 ATOM 1107 HH11 ARG 69 -14.747 30.827 -9.340 1.00 35.41 ATOM 1108 HH12 ARG 69 -14.948 30.180 -10.927 1.00 64.02 ATOM 1109 NH2 ARG 69 -17.392 30.174 -10.905 1.00 63.12 ATOM 1110 HH21 ARG 69 -18.383 30.219 -10.802 1.00 52.32 ATOM 1111 HH22 ARG 69 -16.989 29.830 -11.754 1.00 13.31 ATOM 1112 C ARG 69 -20.114 32.636 -5.602 1.00 63.42 ATOM 1113 O ARG 69 -19.975 33.845 -5.403 1.00 41.41 ATOM 1114 N ARG 70 -21.070 32.147 -6.396 1.00 51.35 ATOM 1115 HN ARG 70 -21.155 31.174 -6.497 1.00 38.07 ATOM 1116 CA ARG 70 -21.992 33.031 -7.121 1.00 71.20 ATOM 1117 HA ARG 70 -21.391 33.788 -7.610 1.00 31.21 ATOM 1118 CB ARG 70 -22.766 32.251 -8.202 1.00 40.31 ATOM 1119 HB1 ARG 70 -22.055 31.755 -8.847 1.00 38.07 ATOM 1120 HB2 ARG 70 -23.338 32.948 -8.790 1.00 31.24 ATOM 1121 CG ARG 70 -23.726 31.203 -7.659 1.00 60.11 ATOM 1122 HG1 ARG 70 -24.446 31.689 -7.018 1.00 38.07 ATOM 1123 HG2 ARG 70 -23.163 30.482 -7.083 1.00 72.12 ATOM 1124 CD ARG 70 -24.469 30.470 -8.772 1.00 21.20 ATOM 1125 HD1 ARG 70 -23.753 29.930 -9.376 1.00 38.07 ATOM 1126 HD2 ARG 70 -24.984 31.195 -9.387 1.00 3.34 ATOM 1127 NE ARG 70 -25.444 29.531 -8.234 1.00 41.31 ATOM 1128 HE ARG 70 -25.777 29.701 -7.330 1.00 61.33 ATOM 1129 CZ ARG 70 -25.897 28.481 -8.860 1.00 3.42 ATOM 1130 NH1 ARG 70 -25.514 28.206 -10.066 1.00 54.25 ATOM 1131 HH11 ARG 70 -24.867 28.804 -10.532 1.00 74.33 ATOM 1132 HH12 ARG 70 -25.860 27.393 -10.526 1.00 72.44 ATOM 1133 NH2 ARG 70 -26.747 27.714 -8.264 1.00 61.11 ATOM 1134 HH21 ARG 70 -27.044 27.936 -7.337 1.00 2.43 ATOM 1135 HH22 ARG 70 -27.098 26.901 -8.724 1.00 34.41 ATOM 1136 C ARG 70 -22.970 33.738 -6.164 1.00 63.43 ATOM 1137 O ARG 70 -23.440 34.839 -6.452 1.00 52.31 ATOM 1138 N ARG 71 -23.276 33.100 -5.033 1.00 30.20 ATOM 1139 HN ARG 71 -22.925 32.194 -4.888 1.00 38.07 ATOM 1140 CA ARG 71 -24.126 33.709 -4.001 1.00 61.41 ATOM 1141 HA ARG 71 -25.011 34.090 -4.492 1.00 1.32 ATOM 1142 CB ARG 71 -24.549 32.661 -2.955 1.00 44.20 ATOM 1143 HB1 ARG 71 -24.974 33.172 -2.103 1.00 38.07 ATOM 1144 HB2 ARG 71 -23.670 32.118 -2.631 1.00 43.43 ATOM 1145 CG ARG 71 -25.574 31.646 -3.464 1.00 42.33 ATOM 1146 HG1 ARG 71 -25.758 30.914 -2.688 1.00 38.07 ATOM 1147 HG2 ARG 71 -25.177 31.149 -4.339 1.00 10.24 ATOM 1148 CD ARG 71 -26.893 32.317 -3.833 1.00 53.23 ATOM 1149 HD1 ARG 71 -26.706 33.050 -4.605 1.00 38.07 ATOM 1150 HD2 ARG 71 -27.285 32.815 -2.957 1.00 62.43 ATOM 1151 NE ARG 71 -27.891 31.364 -4.321 1.00 52.35 ATOM 1152 HE ARG 71 -27.567 30.516 -4.691 1.00 42.21 ATOM 1153 CZ ARG 71 -29.182 31.587 -4.307 1.00 44.33 ATOM 1154 NH1 ARG 71 -29.657 32.679 -3.793 1.00 31.45 ATOM 1155 HH11 ARG 71 -29.038 33.356 -3.400 1.00 72.42 ATOM 1156 HH12 ARG 71 -30.643 32.846 -3.792 1.00 33.21 ATOM 1157 NH2 ARG 71 -29.995 30.709 -4.795 1.00 1.13 ATOM 1158 HH21 ARG 71 -29.636 29.862 -5.186 1.00 1.03 ATOM 1159 HH22 ARG 71 -30.975 30.874 -4.776 1.00 75.21 ATOM 1160 C ARG 71 -23.410 34.881 -3.316 1.00 22.31 ATOM 1161 O ARG 71 -23.960 35.977 -3.204 1.00 71.02 ATOM 1162 N GLY 72 -22.183 34.644 -2.863 1.00 43.01 ATOM 1163 HN GLY 72 -21.822 33.730 -2.910 1.00 38.07 ATOM 1164 CA GLY 72 -21.379 35.711 -2.283 1.00 2.40 ATOM 1165 HA1 GLY 72 -20.438 35.298 -1.956 1.00 38.07 ATOM 1166 HA2 GLY 72 -21.901 36.113 -1.425 1.00 61.23 ATOM 1167 C GLY 72 -21.102 36.842 -3.270 1.00 4.45 ATOM 1168 O GLY 72 -21.242 38.023 -2.937 1.00 22.15 ATOM 1169 N LYS 73 -20.714 36.476 -4.494 1.00 71.31 ATOM 1170 HN LYS 73 -20.597 35.521 -4.686 1.00 38.07 ATOM 1171 CA LYS 73 -20.445 37.451 -5.557 1.00 21.45 ATOM 1172 HA LYS 73 -19.735 38.167 -5.169 1.00 12.34 ATOM 1173 CB LYS 73 -19.820 36.754 -6.781 1.00 42.42 ATOM 1174 HB1 LYS 73 -20.449 35.921 -7.065 1.00 38.07 ATOM 1175 HB2 LYS 73 -18.845 36.377 -6.504 1.00 43.23 ATOM 1176 CG LYS 73 -19.652 37.666 -8.000 1.00 65.42 ATOM 1177 HG1 LYS 73 -19.123 38.561 -7.697 1.00 38.07 ATOM 1178 HG2 LYS 73 -20.630 37.936 -8.370 1.00 14.24 ATOM 1179 CD LYS 73 -18.876 36.988 -9.128 1.00 14.00 ATOM 1180 HD1 LYS 73 -18.945 37.601 -10.016 1.00 38.07 ATOM 1181 HD2 LYS 73 -19.316 36.021 -9.323 1.00 15.41 ATOM 1182 CE LYS 73 -17.405 36.795 -8.775 1.00 54.41 ATOM 1183 HE1 LYS 73 -16.912 36.309 -9.605 1.00 38.07 ATOM 1184 HE2 LYS 73 -17.335 36.169 -7.898 1.00 4.34 ATOM 1185 NZ LYS 73 -16.726 38.090 -8.499 1.00 12.21 ATOM 1186 HZ1 LYS 73 -17.110 38.517 -7.633 1.00 1.03 ATOM 1187 HZ2 LYS 73 -16.876 38.750 -9.289 1.00 62.22 ATOM 1188 HZ3 LYS 73 -15.705 37.943 -8.377 1.00 4.43 ATOM 1189 C LYS 73 -21.716 38.212 -5.967 1.00 34.12 ATOM 1190 O LYS 73 -21.640 39.353 -6.419 1.00 22.35 ATOM 1191 N ASN 74 -22.884 37.588 -5.788 1.00 53.43 ATOM 1192 HN ASN 74 -22.887 36.686 -5.403 1.00 38.07 ATOM 1193 CA ASN 74 -24.164 38.217 -6.145 1.00 45.23 ATOM 1194 HA ASN 74 -24.176 38.341 -7.219 1.00 71.34 ATOM 1195 CB ASN 74 -25.341 37.322 -5.736 1.00 73.33 ATOM 1196 HB1 ASN 74 -25.373 37.248 -4.656 1.00 38.07 ATOM 1197 HB2 ASN 74 -25.194 36.336 -6.153 1.00 52.24 ATOM 1198 CG ASN 74 -26.678 37.858 -6.224 1.00 70.10 ATOM 1199 OD1 ASN 74 -27.114 37.550 -7.329 1.00 40.31 ATOM 1200 ND2 ASN 74 -27.333 38.669 -5.416 1.00 71.11 ATOM 1201 HD21 ASN 74 -26.933 38.884 -4.548 1.00 44.02 ATOM 1202 HD22 ASN 74 -28.196 39.019 -5.718 1.00 61.14 ATOM 1203 C ASN 74 -24.309 39.602 -5.492 1.00 72.52 ATOM 1204 O ASN 74 -24.952 40.495 -6.042 1.00 1.23 ATOM 1205 N LYS 75 -23.703 39.769 -4.316 1.00 32.13 ATOM 1206 HN LYS 75 -23.253 39.002 -3.901 1.00 38.07 ATOM 1207 CA LYS 75 -23.687 41.064 -3.626 1.00 53.52 ATOM 1208 HA LYS 75 -24.711 41.347 -3.421 1.00 51.10 ATOM 1209 CB LYS 75 -22.920 40.938 -2.298 1.00 20.15 ATOM 1210 HB1 LYS 75 -21.879 40.741 -2.515 1.00 38.07 ATOM 1211 HB2 LYS 75 -23.322 40.103 -1.740 1.00 54.01 ATOM 1212 CG LYS 75 -22.996 42.180 -1.413 1.00 65.40 ATOM 1213 HG1 LYS 75 -22.678 43.039 -1.991 1.00 38.07 ATOM 1214 HG2 LYS 75 -22.329 42.051 -0.572 1.00 63.24 ATOM 1215 CD LYS 75 -24.411 42.436 -0.884 1.00 53.14 ATOM 1216 HD1 LYS 75 -25.109 42.357 -1.707 1.00 38.07 ATOM 1217 HD2 LYS 75 -24.453 43.436 -0.478 1.00 45.10 ATOM 1218 CE LYS 75 -24.824 41.447 0.213 1.00 1.02 ATOM 1219 HE1 LYS 75 -25.789 41.745 0.601 1.00 38.07 ATOM 1220 HE2 LYS 75 -24.095 41.490 1.008 1.00 52.45 ATOM 1221 NZ LYS 75 -24.917 40.041 -0.269 1.00 43.31 ATOM 1222 HZ1 LYS 75 -23.973 39.685 -0.522 1.00 55.45 ATOM 1223 HZ2 LYS 75 -25.532 39.986 -1.105 1.00 21.32 ATOM 1224 HZ3 LYS 75 -25.312 39.433 0.478 1.00 51.54 ATOM 1225 C LYS 75 -23.036 42.142 -4.514 1.00 20.12 ATOM 1226 O LYS 75 -23.576 43.236 -4.693 1.00 30.51 ATOM 1227 N VAL 76 -21.883 41.802 -5.084 1.00 50.21 ATOM 1228 HN VAL 76 -21.504 40.918 -4.893 1.00 38.07 ATOM 1229 CA VAL 76 -21.160 42.696 -5.995 1.00 51.25 ATOM 1230 HA VAL 76 -21.134 43.682 -5.548 1.00 63.11 ATOM 1231 CB VAL 76 -19.699 42.210 -6.195 1.00 43.24 ATOM 1232 HB VAL 76 -19.729 41.244 -6.681 1.00 1.32 ATOM 1233 CG1 VAL 76 -18.913 43.164 -7.092 1.00 21.34 ATOM 1234 HG11 VAL 76 -17.905 42.792 -7.220 1.00 73.12 ATOM 1235 HG12 VAL 76 -18.879 44.143 -6.636 1.00 70.34 ATOM 1236 HG13 VAL 76 -19.395 43.235 -8.057 1.00 33.11 ATOM 1237 CG2 VAL 76 -19.001 42.041 -4.847 1.00 62.50 ATOM 1238 HG21 VAL 76 -19.537 41.317 -4.250 1.00 5.35 ATOM 1239 HG22 VAL 76 -18.980 42.989 -4.328 1.00 42.11 ATOM 1240 HG23 VAL 76 -17.989 41.697 -5.006 1.00 12.23 ATOM 1241 C VAL 76 -21.864 42.783 -7.364 1.00 53.03 ATOM 1242 O VAL 76 -21.893 43.838 -8.002 1.00 4.32 ATOM 1243 N ALA 77 -22.444 41.666 -7.799 1.00 44.42 ATOM 1244 HN ALA 77 -22.392 40.861 -7.242 1.00 38.07 ATOM 1245 CA ALA 77 -23.151 41.597 -9.084 1.00 52.42 ATOM 1246 HA ALA 77 -22.486 41.970 -9.851 1.00 23.54 ATOM 1247 CB ALA 77 -23.486 40.148 -9.420 1.00 51.51 ATOM 1248 HB1 ALA 77 -22.579 39.559 -9.424 1.00 14.13 ATOM 1249 HB2 ALA 77 -23.948 40.100 -10.396 1.00 54.24 ATOM 1250 HB3 ALA 77 -24.168 39.753 -8.680 1.00 1.44 ATOM 1251 C ALA 77 -24.430 42.450 -9.084 1.00 1.13 ATOM 1252 O ALA 77 -24.797 43.036 -10.104 1.00 74.04 ATOM 1253 N ALA 78 -25.104 42.510 -7.938 1.00 23.14 ATOM 1254 HN ALA 78 -24.770 42.005 -7.167 1.00 38.07 ATOM 1255 CA ALA 78 -26.336 43.297 -7.794 1.00 72.45 ATOM 1256 HA ALA 78 -26.983 43.054 -8.626 1.00 70.12 ATOM 1257 CB ALA 78 -27.057 42.907 -6.508 1.00 62.44 ATOM 1258 HB1 ALA 78 -27.993 43.444 -6.439 1.00 63.44 ATOM 1259 HB2 ALA 78 -26.437 43.153 -5.658 1.00 72.32 ATOM 1260 HB3 ALA 78 -27.253 41.844 -6.513 1.00 11.14 ATOM 1261 C ALA 78 -26.054 44.807 -7.809 1.00 42.25 ATOM 1262 O ALA 78 -26.721 45.569 -8.512 1.00 74.12 ATOM 1263 N GLN 79 -25.064 45.238 -7.027 1.00 1.44 ATOM 1264 HN GLN 79 -24.585 44.590 -6.464 1.00 38.07 ATOM 1265 CA GLN 79 -24.681 46.656 -6.972 1.00 50.44 ATOM 1266 HA GLN 79 -25.577 47.228 -6.773 1.00 4.43 ATOM 1267 CB GLN 79 -23.676 46.898 -5.833 1.00 74.33 ATOM 1268 HB1 GLN 79 -24.136 46.610 -4.897 1.00 38.07 ATOM 1269 HB2 GLN 79 -23.439 47.952 -5.795 1.00 44.44 ATOM 1270 CG GLN 79 -22.371 46.122 -5.985 1.00 63.44 ATOM 1271 HG1 GLN 79 -21.914 46.399 -6.925 1.00 38.07 ATOM 1272 HG2 GLN 79 -22.596 45.066 -5.997 1.00 35.42 ATOM 1273 CD GLN 79 -21.375 46.387 -4.867 1.00 11.00 ATOM 1274 OE1 GLN 79 -21.748 46.693 -3.740 1.00 52.13 ATOM 1275 NE2 GLN 79 -20.097 46.258 -5.169 1.00 2.24 ATOM 1276 HE21 GLN 79 -19.862 46.002 -6.080 1.00 45.53 ATOM 1277 HE22 GLN 79 -19.437 46.420 -4.461 1.00 74.40 ATOM 1278 C GLN 79 -24.084 47.132 -8.311 1.00 11.13 ATOM 1279 O GLN 79 -24.297 48.270 -8.731 1.00 52.15 ATOM 1280 N ASN 80 -23.341 46.248 -8.980 1.00 40.54 ATOM 1281 HN ASN 80 -23.199 45.359 -8.591 1.00 38.07 ATOM 1282 CA ASN 80 -22.719 46.568 -10.272 1.00 71.34 ATOM 1283 HA ASN 80 -22.571 47.638 -10.316 1.00 40.53 ATOM 1284 CB ASN 80 -21.354 45.877 -10.388 1.00 70.40 ATOM 1285 HB1 ASN 80 -20.964 46.021 -11.386 1.00 38.07 ATOM 1286 HB2 ASN 80 -21.479 44.818 -10.210 1.00 23.05 ATOM 1287 CG ASN 80 -20.331 46.404 -9.399 1.00 1.21 ATOM 1288 OD1 ASN 80 -20.370 47.561 -8.997 1.00 43.34 ATOM 1289 ND2 ASN 80 -19.399 45.560 -9.014 1.00 33.32 ATOM 1290 HD21 ASN 80 -19.421 44.651 -9.380 1.00 25.22 ATOM 1291 HD22 ASN 80 -18.717 45.880 -8.392 1.00 15.55 ATOM 1292 C ASN 80 -23.605 46.153 -11.460 1.00 30.12 ATOM 1293 O ASN 80 -23.122 46.039 -12.591 1.00 23.31 ATOM 1294 N TYR 81 -24.895 45.942 -11.213 1.00 41.23 ATOM 1295 HN TYR 81 -25.231 46.049 -10.299 1.00 38.07 ATOM 1296 CA TYR 81 -25.825 45.551 -12.279 1.00 63.34 ATOM 1297 HA TYR 81 -25.449 44.639 -12.725 1.00 2.15 ATOM 1298 CB TYR 81 -27.225 45.281 -11.701 1.00 51.11 ATOM 1299 HB1 TYR 81 -27.673 46.220 -11.406 1.00 38.07 ATOM 1300 HB2 TYR 81 -27.129 44.649 -10.830 1.00 73.12 ATOM 1301 CG TYR 81 -28.171 44.593 -12.676 1.00 3.13 ATOM 1302 CD1 TYR 81 -28.290 43.206 -12.693 1.00 32.43 ATOM 1303 HD1 TYR 81 -27.701 42.619 -12.004 1.00 52.24 ATOM 1304 CD2 TYR 81 -28.941 45.325 -13.575 1.00 1.42 ATOM 1305 HD2 TYR 81 -28.863 46.404 -13.579 1.00 34.21 ATOM 1306 CE1 TYR 81 -29.143 42.572 -13.576 1.00 13.11 ATOM 1307 HE1 TYR 81 -29.220 41.496 -13.573 1.00 71.34 ATOM 1308 CE2 TYR 81 -29.797 44.696 -14.461 1.00 11.21 ATOM 1309 HE2 TYR 81 -30.387 45.283 -15.151 1.00 51.41 ATOM 1310 CZ TYR 81 -29.896 43.320 -14.454 1.00 1.21 ATOM 1311 OH TYR 81 -30.748 42.687 -15.334 1.00 51.21 ATOM 1312 HH TYR 81 -31.297 42.064 -14.848 1.00 41.21 ATOM 1313 C TYR 81 -25.897 46.640 -13.364 1.00 50.15 ATOM 1314 O TYR 81 -26.385 47.746 -13.118 1.00 72.53 ATOM 1315 N ARG 82 -25.402 46.319 -14.560 1.00 70.43 ATOM 1316 HN ARG 82 -25.052 45.414 -14.701 1.00 38.07 ATOM 1317 CA ARG 82 -25.366 47.275 -15.669 1.00 65.12 ATOM 1318 HA ARG 82 -24.813 48.144 -15.337 1.00 41.44 ATOM 1319 CB ARG 82 -24.636 46.660 -16.870 1.00 4.42 ATOM 1320 HB1 ARG 82 -25.177 45.781 -17.195 1.00 38.07 ATOM 1321 HB2 ARG 82 -23.644 46.365 -16.559 1.00 70.20 ATOM 1322 CG ARG 82 -24.503 47.610 -18.056 1.00 43.01 ATOM 1323 HG1 ARG 82 -23.956 48.487 -17.739 1.00 38.07 ATOM 1324 HG2 ARG 82 -25.491 47.901 -18.384 1.00 3.01 ATOM 1325 CD ARG 82 -23.767 46.962 -19.225 1.00 51.51 ATOM 1326 HD1 ARG 82 -22.795 46.634 -18.881 1.00 38.07 ATOM 1327 HD2 ARG 82 -23.640 47.698 -20.006 1.00 53.02 ATOM 1328 NE ARG 82 -24.489 45.816 -19.774 1.00 40.32 ATOM 1329 HE ARG 82 -25.428 45.707 -19.520 1.00 50.21 ATOM 1330 CZ ARG 82 -23.966 44.948 -20.600 1.00 71.52 ATOM 1331 NH1 ARG 82 -22.720 45.029 -20.945 1.00 35.43 ATOM 1332 HH11 ARG 82 -22.145 45.756 -20.576 1.00 75.33 ATOM 1333 HH12 ARG 82 -22.336 44.366 -21.589 1.00 40.21 ATOM 1334 NH2 ARG 82 -24.690 43.986 -21.068 1.00 52.02 ATOM 1335 HH21 ARG 82 -25.648 43.909 -20.798 1.00 43.40 ATOM 1336 HH22 ARG 82 -24.290 43.326 -21.703 1.00 43.11 ATOM 1337 C ARG 82 -26.781 47.717 -16.077 1.00 20.43 ATOM 1338 O ARG 82 -27.508 46.982 -16.750 1.00 5.41 ATOM 1339 N LYS 83 -27.168 48.916 -15.657 1.00 33.22 ATOM 1340 HN LYS 83 -26.548 49.456 -15.118 1.00 38.07 ATOM 1341 CA LYS 83 -28.496 49.449 -15.959 1.00 42.54 ATOM 1342 HA LYS 83 -29.074 48.664 -16.430 1.00 2.43 ATOM 1343 CB LYS 83 -29.192 49.861 -14.658 1.00 31.35 ATOM 1344 HB1 LYS 83 -28.670 50.710 -14.238 1.00 38.07 ATOM 1345 HB2 LYS 83 -29.136 49.038 -13.959 1.00 3.15 ATOM 1346 CG LYS 83 -30.657 50.240 -14.831 1.00 74.41 ATOM 1347 HG1 LYS 83 -31.175 49.423 -15.314 1.00 38.07 ATOM 1348 HG2 LYS 83 -30.721 51.124 -15.450 1.00 43.53 ATOM 1349 CD LYS 83 -31.319 50.523 -13.485 1.00 62.05 ATOM 1350 HD1 LYS 83 -31.211 49.653 -12.851 1.00 38.07 ATOM 1351 HD2 LYS 83 -32.369 50.721 -13.646 1.00 63.13 ATOM 1352 CE LYS 83 -30.693 51.725 -12.785 1.00 72.05 ATOM 1353 HE1 LYS 83 -29.630 51.556 -12.681 1.00 38.07 ATOM 1354 HE2 LYS 83 -31.135 51.829 -11.805 1.00 60.34 ATOM 1355 NZ LYS 83 -30.911 52.983 -13.545 1.00 21.22 ATOM 1356 HZ1 LYS 83 -31.922 53.099 -13.766 1.00 73.41 ATOM 1357 HZ2 LYS 83 -30.374 52.966 -14.433 1.00 62.04 ATOM 1358 HZ3 LYS 83 -30.599 53.798 -12.979 1.00 33.20 ATOM 1359 C LYS 83 -28.403 50.639 -16.928 1.00 2.24 ATOM 1360 O LYS 83 -28.057 51.755 -16.535 1.00 31.42 ATOM 1361 N ARG 84 -28.701 50.381 -18.200 1.00 3.51 ATOM 1362 HN ARG 84 -29.003 49.479 -18.439 1.00 38.07 ATOM 1363 CA ARG 84 -28.589 51.393 -19.258 1.00 61.14 ATOM 1364 HA ARG 84 -28.975 52.327 -18.872 1.00 71.44 ATOM 1365 CB ARG 84 -27.109 51.576 -19.643 1.00 24.15 ATOM 1366 HB1 ARG 84 -26.696 50.608 -19.894 1.00 38.07 ATOM 1367 HB2 ARG 84 -26.578 51.966 -18.787 1.00 22.15 ATOM 1368 CG ARG 84 -26.855 52.518 -20.821 1.00 15.10 ATOM 1369 HG1 ARG 84 -27.374 52.139 -21.690 1.00 38.07 ATOM 1370 HG2 ARG 84 -25.794 52.542 -21.023 1.00 72.34 ATOM 1371 CD ARG 84 -27.332 53.940 -20.541 1.00 32.20 ATOM 1372 HD1 ARG 84 -26.953 54.249 -19.577 1.00 38.07 ATOM 1373 HD2 ARG 84 -28.414 53.948 -20.520 1.00 61.11 ATOM 1374 NE ARG 84 -26.862 54.881 -21.560 1.00 4.23 ATOM 1375 HE ARG 84 -26.008 54.684 -21.994 1.00 41.55 ATOM 1376 CZ ARG 84 -27.488 55.974 -21.906 1.00 63.33 ATOM 1377 NH1 ARG 84 -28.637 56.272 -21.389 1.00 44.24 ATOM 1378 HH11 ARG 84 -29.058 55.664 -20.716 1.00 50.30 ATOM 1379 HH12 ARG 84 -29.103 57.108 -21.662 1.00 4.23 ATOM 1380 NH2 ARG 84 -26.959 56.767 -22.784 1.00 41.21 ATOM 1381 HH21 ARG 84 -26.075 56.542 -23.192 1.00 33.14 ATOM 1382 HH22 ARG 84 -27.431 57.608 -23.047 1.00 13.10 ATOM 1383 C ARG 84 -29.411 50.984 -20.486 1.00 24.11 ATOM 1384 O ARG 84 -29.204 49.907 -21.053 1.00 45.14 ATOM 1385 N LYS 85 -30.355 51.824 -20.894 1.00 51.13 ATOM 1386 HN LYS 85 -30.505 52.663 -20.402 1.00 38.07 ATOM 1387 CA LYS 85 -31.177 51.519 -22.065 1.00 71.43 ATOM 1388 HA LYS 85 -31.424 50.465 -22.023 1.00 73.11 ATOM 1389 CB LYS 85 -32.487 52.337 -22.033 1.00 74.32 ATOM 1390 HB1 LYS 85 -32.272 53.347 -22.356 1.00 38.07 ATOM 1391 HB2 LYS 85 -32.842 52.371 -21.014 1.00 15.13 ATOM 1392 CG LYS 85 -33.624 51.788 -22.907 1.00 2.32 ATOM 1393 HG1 LYS 85 -34.548 52.266 -22.607 1.00 38.07 ATOM 1394 HG2 LYS 85 -33.706 50.724 -22.740 1.00 33.14 ATOM 1395 CD LYS 85 -33.408 52.030 -24.402 1.00 21.32 ATOM 1396 HD1 LYS 85 -32.536 51.477 -24.725 1.00 38.07 ATOM 1397 HD2 LYS 85 -33.243 53.086 -24.564 1.00 12.11 ATOM 1398 CE LYS 85 -34.613 51.588 -25.230 1.00 34.43 ATOM 1399 HE1 LYS 85 -35.491 52.104 -24.869 1.00 38.07 ATOM 1400 HE2 LYS 85 -34.748 50.524 -25.113 1.00 75.31 ATOM 1401 NZ LYS 85 -34.437 51.893 -26.676 1.00 41.12 ATOM 1402 HZ1 LYS 85 -33.668 51.320 -27.075 1.00 13.03 ATOM 1403 HZ2 LYS 85 -34.206 52.897 -26.807 1.00 72.24 ATOM 1404 HZ3 LYS 85 -35.312 51.684 -27.197 1.00 70.44 ATOM 1405 C LYS 85 -30.380 51.782 -23.352 1.00 12.01 ATOM 1406 O LYS 85 -30.478 52.851 -23.958 1.00 4.02 ATOM 1407 N LEU 86 -29.540 50.818 -23.727 1.00 41.13 ATOM 1408 HN LEU 86 -29.395 50.056 -23.131 1.00 38.07 ATOM 1409 CA LEU 86 -28.813 50.886 -24.997 1.00 50.20 ATOM 1410 HA LEU 86 -28.261 51.817 -25.011 1.00 0.43 ATOM 1411 CB LEU 86 -27.819 49.713 -25.134 1.00 23.32 ATOM 1412 HB1 LEU 86 -27.222 49.676 -24.232 1.00 38.07 ATOM 1413 HB2 LEU 86 -27.161 49.929 -25.965 1.00 30.22 ATOM 1414 CG LEU 86 -28.431 48.314 -25.360 1.00 73.30 ATOM 1415 HG LEU 86 -29.104 48.356 -26.207 1.00 52.11 ATOM 1416 CD1 LEU 86 -27.336 47.300 -25.688 1.00 12.14 ATOM 1417 HD11 LEU 86 -27.782 46.337 -25.891 1.00 41.51 ATOM 1418 HD12 LEU 86 -26.660 47.213 -24.849 1.00 52.11 ATOM 1419 HD13 LEU 86 -26.788 47.633 -26.558 1.00 44.03 ATOM 1420 CD2 LEU 86 -29.235 47.852 -24.142 1.00 74.03 ATOM 1421 HD21 LEU 86 -28.592 47.818 -23.274 1.00 43.21 ATOM 1422 HD22 LEU 86 -29.641 46.869 -24.328 1.00 22.22 ATOM 1423 HD23 LEU 86 -30.044 48.545 -23.961 1.00 33.21 ATOM 1424 C LEU 86 -29.803 50.885 -26.169 1.00 12.01 ATOM 1425 O LEU 86 -30.847 50.231 -26.107 1.00 72.14 ATOM 1426 N GLU 87 -29.492 51.620 -27.227 1.00 23.22 ATOM 1427 HN GLU 87 -28.619 52.066 -27.265 1.00 38.07 ATOM 1428 CA GLU 87 -30.428 51.758 -28.342 1.00 45.53 ATOM 1429 HA GLU 87 -31.428 51.727 -27.928 1.00 44.25 ATOM 1430 CB GLU 87 -30.240 53.108 -29.047 1.00 74.42 ATOM 1431 HB1 GLU 87 -29.283 53.112 -29.548 1.00 38.07 ATOM 1432 HB2 GLU 87 -30.248 53.892 -28.304 1.00 74.04 ATOM 1433 CG GLU 87 -31.323 53.413 -30.079 1.00 43.42 ATOM 1434 HG1 GLU 87 -31.342 52.616 -30.810 1.00 38.07 ATOM 1435 HG2 GLU 87 -31.079 54.343 -30.575 1.00 21.34 ATOM 1436 CD GLU 87 -32.708 53.536 -29.456 1.00 12.40 ATOM 1437 OE1 GLU 87 -33.349 52.496 -29.198 1.00 51.53 ATOM 1438 OE2 GLU 87 -33.158 54.676 -29.212 1.00 13.34 ATOM 1439 C GLU 87 -30.288 50.602 -29.341 1.00 3.42 ATOM 1440 O GLU 87 -29.387 50.593 -30.191 1.00 33.42 ATOM 1441 N THR 88 -31.173 49.617 -29.218 1.00 0.50 ATOM 1442 HN THR 88 -31.832 49.659 -28.490 1.00 38.07 ATOM 1443 CA THR 88 -31.195 48.469 -30.127 1.00 4.33 ATOM 1444 HA THR 88 -30.172 48.159 -30.298 1.00 40.30 ATOM 1445 CB THR 88 -31.972 47.270 -29.519 1.00 13.33 ATOM 1446 HB THR 88 -33.025 47.524 -29.473 1.00 22.31 ATOM 1447 OG1 THR 88 -31.502 46.991 -28.186 1.00 71.34 ATOM 1448 HG1 THR 88 -31.793 46.107 -27.927 1.00 63.32 ATOM 1449 CG2 THR 88 -31.812 46.019 -30.382 1.00 62.43 ATOM 1450 HG21 THR 88 -30.765 45.754 -30.445 1.00 2.11 ATOM 1451 HG22 THR 88 -32.193 46.213 -31.373 1.00 44.51 ATOM 1452 HG23 THR 88 -32.365 45.203 -29.940 1.00 11.55 ATOM 1453 C THR 88 -31.832 48.847 -31.473 1.00 60.52 ATOM 1454 O THR 88 -33.052 48.761 -31.649 1.00 51.10 ATOM 1455 N ILE 89 -31.000 49.294 -32.412 1.00 1.43 ATOM 1456 HN ILE 89 -30.044 49.366 -32.203 1.00 38.07 ATOM 1457 CA ILE 89 -31.470 49.687 -33.745 1.00 24.25 ATOM 1458 HA ILE 89 -32.391 50.245 -33.624 1.00 43.43 ATOM 1459 CB ILE 89 -30.439 50.605 -34.454 1.00 1.00 ATOM 1460 HB ILE 89 -29.513 50.052 -34.558 1.00 61.04 ATOM 1461 CG1 ILE 89 -30.175 51.865 -33.612 1.00 51.11 ATOM 1462 HG11 ILE 89 -29.805 51.570 -32.639 1.00 38.07 ATOM 1463 HG12 ILE 89 -31.101 52.407 -33.488 1.00 31.51 ATOM 1464 CG2 ILE 89 -30.922 50.983 -35.856 1.00 74.34 ATOM 1465 HG21 ILE 89 -31.034 50.090 -36.454 1.00 51.22 ATOM 1466 HG22 ILE 89 -30.201 51.638 -36.323 1.00 0.34 ATOM 1467 HG23 ILE 89 -31.873 51.490 -35.784 1.00 53.13 ATOM 1468 CD1 ILE 89 -29.165 52.816 -34.224 1.00 53.24 ATOM 1469 HD11 ILE 89 -29.024 53.663 -33.567 1.00 53.41 ATOM 1470 HD12 ILE 89 -29.525 53.162 -35.182 1.00 54.15 ATOM 1471 HD13 ILE 89 -28.223 52.305 -34.357 1.00 14.14 ATOM 1472 C ILE 89 -31.741 48.461 -34.630 1.00 74.04 ATOM 1473 O ILE 89 -30.868 47.612 -34.811 1.00 45.52 ATOM 1474 N VAL 90 -32.952 48.377 -35.175 1.00 3.04 ATOM 1475 HN VAL 90 -33.614 49.071 -34.973 1.00 38.07 ATOM 1476 CA VAL 90 -33.321 47.284 -36.080 1.00 44.45 ATOM 1477 HA VAL 90 -32.566 46.512 -35.990 1.00 70.32 ATOM 1478 CB VAL 90 -34.693 46.658 -35.696 1.00 74.44 ATOM 1479 HB VAL 90 -34.613 46.279 -34.684 1.00 62.00 ATOM 1480 CG1 VAL 90 -35.809 47.702 -35.715 1.00 72.02 ATOM 1481 HG11 VAL 90 -36.747 47.236 -35.446 1.00 51.01 ATOM 1482 HG12 VAL 90 -35.891 48.128 -36.705 1.00 71.21 ATOM 1483 HG13 VAL 90 -35.582 48.485 -35.006 1.00 62.41 ATOM 1484 CG2 VAL 90 -35.029 45.481 -36.614 1.00 25.12 ATOM 1485 HG21 VAL 90 -34.238 44.747 -36.564 1.00 63.31 ATOM 1486 HG22 VAL 90 -35.129 45.831 -37.632 1.00 12.12 ATOM 1487 HG23 VAL 90 -35.959 45.027 -36.299 1.00 24.02 ATOM 1488 C VAL 90 -33.352 47.771 -37.541 1.00 63.23 ATOM 1489 O VAL 90 -33.984 48.785 -37.857 1.00 2.41 ATOM 1490 N GLN 91 -32.648 47.054 -38.418 1.00 33.01 ATOM 1491 HN GLN 91 -32.170 46.259 -38.099 1.00 38.07 ATOM 1492 HA GLN 91 -32.395 48.482 -39.891 1.00 64.14 ATOM 1493 CB GLN 91 -31.355 46.706 -40.499 1.00 60.40 ATOM 1494 HB1 GLN 91 -30.448 47.164 -40.130 1.00 38.07 ATOM 1495 HB2 GLN 91 -31.403 46.850 -41.569 1.00 61.14 ATOM 1496 CG GLN 91 -31.274 45.203 -40.222 1.00 34.41 ATOM 1497 HG1 GLN 91 -32.187 44.739 -40.565 1.00 38.07 ATOM 1498 HG2 GLN 91 -31.179 45.053 -39.155 1.00 5.21 ATOM 1499 CD GLN 91 -30.096 44.526 -40.910 1.00 34.33 ATOM 1500 OE1 GLN 91 -29.541 43.555 -40.406 1.00 31.40 ATOM 1501 NE2 GLN 91 -29.717 45.013 -42.074 1.00 51.13 ATOM 1502 HE21 GLN 91 -30.202 45.781 -42.438 1.00 11.42 ATOM 1503 HE22 GLN 91 -28.959 44.587 -42.527 1.00 20.03 ATOM 1504 CA GLN 91 -32.562 47.413 -39.845 1.00 45.41 ATOM 1505 C GLN 91 -33.875 47.099 -40.605 1.00 13.41 ATOM 1506 OT1 GLN 91 -34.222 45.905 -40.763 1.00 38.07 ATOM 1507 OT2 GLN 91 -34.555 48.053 -41.041 1.00 38.07 ATOM 1508 OH2 TIP3 1 -23.872 9.910 -3.993 1.00 0.00 WAT1 ATOM 1509 H1 TIP3 1 -24.232 10.715 -4.411 1.00 0.00 WAT1 ATOM 1510 H2 TIP3 1 -23.221 9.573 -4.643 1.00 0.00 WAT1 ATOM 1511 OH2 TIP3 2 -25.600 10.352 -1.877 1.00 0.00 WAT1 ATOM 1512 H1 TIP3 2 -26.266 9.666 -1.989 1.00 0.00 WAT1 ATOM 1513 H2 TIP3 2 -24.931 10.153 -2.570 1.00 0.00 WAT1 ATOM 1514 OH2 TIP3 3 -33.535 24.563 -6.307 1.00 0.00 WAT1 ATOM 1515 H1 TIP3 3 -32.740 24.168 -5.876 1.00 0.00 WAT1 ATOM 1516 H2 TIP3 3 -34.270 24.044 -5.961 1.00 0.00 WAT1 ATOM 1517 OH2 TIP3 4 -34.075 29.126 -5.653 1.00 0.00 WAT1 ATOM 1518 H1 TIP3 4 -34.490 29.092 -6.541 1.00 0.00 WAT1 ATOM 1519 H2 TIP3 4 -34.494 29.897 -5.223 1.00 0.00 WAT1 ATOM 1520 OH2 TIP3 5 -26.654 14.676 -2.395 1.00 0.00 WAT1 ATOM 1521 H1 TIP3 5 -26.023 14.050 -1.991 1.00 0.00 WAT1 ATOM 1522 H2 TIP3 5 -26.451 14.639 -3.352 1.00 0.00 WAT1 ATOM 1523 OH2 TIP3 6 -26.308 18.817 -2.115 1.00 0.00 WAT1 ATOM 1524 H1 TIP3 6 -26.630 19.485 -2.751 1.00 0.00 WAT1 ATOM 1525 H2 TIP3 6 -25.436 18.551 -2.467 1.00 0.00 WAT1 ATOM 1526 OH2 TIP3 7 -28.672 28.234 -4.595 1.00 0.00 WAT1 ATOM 1527 H1 TIP3 7 -28.500 28.422 -5.541 1.00 0.00 WAT1 ATOM 1528 H2 TIP3 7 -27.769 28.136 -4.206 1.00 0.00 WAT1 ATOM 1529 OH2 TIP3 8 -28.201 16.878 -2.635 1.00 0.00 WAT1 ATOM 1530 H1 TIP3 8 -27.575 17.616 -2.479 1.00 0.00 WAT1 ATOM 1531 H2 TIP3 8 -27.657 16.067 -2.479 1.00 0.00 WAT1 ATOM 1532 OH2 TIP3 9 -34.721 25.998 -8.437 1.00 0.00 WAT1 ATOM 1533 H1 TIP3 9 -34.264 25.579 -7.684 1.00 0.00 WAT1 ATOM 1534 H2 TIP3 9 -34.722 25.322 -9.119 1.00 0.00 WAT1 ATOM 1535 OH2 TIP3 10 -27.289 25.033 -8.431 1.00 0.00 WAT1 ATOM 1536 H1 TIP3 10 -27.952 24.337 -8.452 1.00 0.00 WAT1 ATOM 1537 H2 TIP3 10 -26.655 24.741 -7.743 1.00 0.00 WAT1 ATOM 1538 OH2 TIP3 11 -27.087 28.619 -1.169 1.00 0.00 WAT1 ATOM 1539 H1 TIP3 11 -26.390 29.208 -0.850 1.00 0.00 WAT1 ATOM 1540 H2 TIP3 11 -26.761 28.321 -2.052 1.00 0.00 WAT1 ATOM 1541 OH2 TIP3 12 -26.899 22.850 -2.799 1.00 0.00 WAT1 ATOM 1542 H1 TIP3 12 -26.795 23.699 -3.274 1.00 0.00 WAT1 ATOM 1543 H2 TIP3 12 -26.899 22.185 -3.497 1.00 0.00 WAT1 ATOM 1544 OH2 TIP3 13 -29.689 24.993 -3.773 1.00 0.00 WAT1 ATOM 1545 H1 TIP3 13 -30.250 25.793 -3.709 1.00 0.00 WAT1 ATOM 1546 H2 TIP3 13 -30.287 24.312 -4.148 1.00 0.00 WAT1 ATOM 1547 OH2 TIP3 14 -34.990 28.704 -8.223 1.00 0.00 WAT1 ATOM 1548 H1 TIP3 14 -34.953 27.726 -8.337 1.00 0.00 WAT1 ATOM 1549 H2 TIP3 14 -34.319 29.044 -8.858 1.00 0.00 WAT1 ATOM 1550 OH2 TIP3 15 -25.735 27.755 -13.778 1.00 0.00 WAT1 ATOM 1551 H1 TIP3 15 -26.680 27.927 -13.986 1.00 0.00 WAT1 ATOM 1552 H2 TIP3 15 -25.336 27.518 -14.651 1.00 0.00 WAT1 ATOM 1553 OH2 TIP3 16 -32.761 29.275 -9.767 1.00 0.00 WAT1 ATOM 1554 H1 TIP3 16 -32.114 28.949 -9.113 1.00 0.00 WAT1 ATOM 1555 H2 TIP3 16 -32.319 29.135 -10.627 1.00 0.00 WAT1 ATOM 1556 OH2 TIP3 17 -30.777 26.956 -13.996 1.00 0.00 WAT1 ATOM 1557 H1 TIP3 17 -31.435 26.260 -14.059 1.00 0.00 WAT1 ATOM 1558 H2 TIP3 17 -31.032 27.457 -13.195 1.00 0.00 WAT1 ATOM 1559 OH2 TIP3 18 -31.021 28.738 -11.887 1.00 0.00 WAT1 ATOM 1560 H1 TIP3 18 -30.131 28.559 -11.508 1.00 0.00 WAT1 ATOM 1561 H2 TIP3 18 -30.862 29.459 -12.535 1.00 0.00 WAT1 ATOM 1562 OH2 TIP3 19 -30.641 18.553 -2.646 1.00 0.00 WAT1 ATOM 1563 H1 TIP3 19 -29.727 18.342 -2.903 1.00 0.00 WAT1 ATOM 1564 H2 TIP3 19 -30.979 17.716 -2.276 1.00 0.00 WAT1 ATOM 1565 OH2 TIP3 20 -26.944 25.258 -4.165 1.00 0.00 WAT1 ATOM 1566 H1 TIP3 20 -26.667 26.144 -3.840 1.00 0.00 WAT1 ATOM 1567 H2 TIP3 20 -27.926 25.269 -4.085 1.00 0.00 WAT1 ATOM 1568 OH2 TIP3 21 -30.370 28.623 -1.479 1.00 0.00 WAT1 ATOM 1569 H1 TIP3 21 -29.404 28.657 -1.569 1.00 0.00 WAT1 ATOM 1570 H2 TIP3 21 -30.675 28.213 -2.322 1.00 0.00 WAT1 ATOM 1571 OH2 TIP3 22 -29.803 25.737 0.687 1.00 0.00 WAT1 ATOM 1572 H1 TIP3 22 -30.768 25.582 0.652 1.00 0.00 WAT1 ATOM 1573 H2 TIP3 22 -29.442 25.158 -0.026 1.00 0.00 WAT1 ATOM 1574 OH2 TIP3 23 -28.362 28.324 -11.328 1.00 0.00 WAT1 ATOM 1575 H1 TIP3 23 -28.208 28.159 -12.278 1.00 0.00 WAT1 ATOM 1576 H2 TIP3 23 -27.976 29.207 -11.176 1.00 0.00 WAT1 ATOM 1577 OH2 TIP3 24 -31.678 23.277 -4.697 1.00 0.00 WAT1 ATOM 1578 H1 TIP3 24 -32.129 23.364 -3.824 1.00 0.00 WAT1 ATOM 1579 H2 TIP3 24 -31.197 22.417 -4.631 1.00 0.00 WAT1 ATOM 1580 OH2 TIP3 25 -32.837 23.665 -2.274 1.00 0.00 WAT1 ATOM 1581 H1 TIP3 25 -33.023 24.521 -1.866 1.00 0.00 WAT1 ATOM 1582 H2 TIP3 25 -32.811 23.044 -1.527 1.00 0.00 WAT1 ATOM 1583 OH2 TIP3 26 -31.055 27.396 -3.803 1.00 0.00 WAT1 ATOM 1584 H1 TIP3 26 -30.194 27.700 -4.178 1.00 0.00 WAT1 ATOM 1585 H2 TIP3 26 -31.642 27.316 -4.585 1.00 0.00 WAT1 ATOM 1586 OH2 TIP3 27 -27.268 30.951 -11.469 1.00 0.00 WAT1 ATOM 1587 H1 TIP3 27 -26.372 30.612 -11.677 1.00 0.00 WAT1 ATOM 1588 H2 TIP3 27 -27.344 31.769 -12.005 1.00 0.00 WAT1 ATOM 1589 OH2 TIP3 28 -30.457 16.089 -1.330 1.00 0.00 WAT1 ATOM 1590 H1 TIP3 28 -29.592 16.402 -1.686 1.00 0.00 WAT1 ATOM 1591 H2 TIP3 28 -30.492 15.161 -1.582 1.00 0.00 WAT1 ATOM 1592 OH2 TIP3 29 -32.806 27.707 -0.453 1.00 0.00 WAT1 ATOM 1593 H1 TIP3 29 -32.636 26.795 -0.149 1.00 0.00 WAT1 ATOM 1594 H2 TIP3 29 -31.961 27.986 -0.856 1.00 0.00 WAT1 ATOM 1595 OH2 TIP3 30 -28.436 28.398 -14.092 1.00 0.00 WAT1 ATOM 1596 H1 TIP3 30 -29.162 27.752 -14.245 1.00 0.00 WAT1 ATOM 1597 H2 TIP3 30 -28.872 29.265 -14.166 1.00 0.00 WAT1 ATOM 1598 OH2 TIP3 31 -28.572 28.098 1.248 1.00 0.00 WAT1 ATOM 1599 H1 TIP3 31 -29.065 27.278 0.995 1.00 0.00 WAT1 ATOM 1600 H2 TIP3 31 -28.017 28.293 0.462 1.00 0.00 WAT1 ATOM 1601 OH2 TIP3 32 -32.656 22.329 0.377 1.00 0.00 WAT1 ATOM 1602 H1 TIP3 32 -32.357 21.478 -0.031 1.00 0.00 WAT1 ATOM 1603 H2 TIP3 32 -32.195 22.348 1.245 1.00 0.00 WAT1 ATOM 1604 OH2 TIP3 33 -31.482 20.048 -0.486 1.00 0.00 WAT1 ATOM 1605 H1 TIP3 33 -31.020 19.482 0.147 1.00 0.00 WAT1 ATOM 1606 H2 TIP3 33 -31.288 19.639 -1.356 1.00 0.00 WAT1 ATOM 1607 OH2 TIP3 34 -26.167 21.536 -5.920 1.00 0.00 WAT1 ATOM 1608 H1 TIP3 34 -26.058 22.498 -6.084 1.00 0.00 WAT1 ATOM 1609 H2 TIP3 34 -25.439 21.131 -6.400 1.00 0.00 WAT1 ATOM 1610 OH2 TIP3 35 -29.160 20.852 1.350 1.00 0.00 WAT1 ATOM 1611 H1 TIP3 35 -28.531 20.121 1.135 1.00 0.00 WAT1 ATOM 1612 H2 TIP3 35 -29.357 21.249 0.489 1.00 0.00 WAT1 ATOM 1613 OH2 TIP3 36 -27.649 18.755 0.408 1.00 0.00 WAT1 ATOM 1614 H1 TIP3 36 -27.171 18.768 -0.446 1.00 0.00 WAT1 ATOM 1615 H2 TIP3 36 -27.321 17.948 0.853 1.00 0.00 WAT1 ATOM 1616 OH2 TIP3 37 -27.652 19.877 -4.400 1.00 0.00 WAT1 ATOM 1617 H1 TIP3 37 -27.492 18.996 -4.801 1.00 0.00 WAT1 ATOM 1618 H2 TIP3 37 -27.191 20.500 -5.005 1.00 0.00 WAT1 ATOM 1619 OH2 TIP3 38 -30.253 20.968 -4.112 1.00 0.00 WAT1 ATOM 1620 H1 TIP3 38 -29.315 20.713 -4.220 1.00 0.00 WAT1 ATOM 1621 H2 TIP3 38 -30.643 20.224 -3.618 1.00 0.00 WAT1 ATOM 1622 OH2 TIP3 39 -25.908 13.989 3.873 1.00 0.00 WAT1 ATOM 1623 H1 TIP3 39 -26.706 13.794 4.377 1.00 0.00 WAT1 ATOM 1624 H2 TIP3 39 -25.776 14.958 3.997 1.00 0.00 WAT1 ATOM 1625 OH2 TIP3 40 -30.713 14.374 2.496 1.00 0.00 WAT1 ATOM 1626 H1 TIP3 40 -30.042 13.916 1.934 1.00 0.00 WAT1 ATOM 1627 H2 TIP3 40 -31.355 13.687 2.701 1.00 0.00 WAT1 ATOM 1628 OH2 TIP3 41 -34.323 29.878 0.035 1.00 0.00 WAT1 ATOM 1629 H1 TIP3 41 -33.959 29.006 -0.251 1.00 0.00 WAT1 ATOM 1630 H2 TIP3 41 -34.835 30.193 -0.741 1.00 0.00 WAT1 ATOM 1631 OH2 TIP3 42 -32.180 31.556 -0.374 1.00 0.00 WAT1 ATOM 1632 H1 TIP3 42 -32.915 30.942 -0.166 1.00 0.00 WAT1 ATOM 1633 H2 TIP3 42 -31.444 31.238 0.179 1.00 0.00 WAT1 ATOM 1634 OH2 TIP3 43 -28.970 12.934 0.954 1.00 0.00 WAT1 ATOM 1635 H1 TIP3 43 -28.063 13.311 1.012 1.00 0.00 WAT1 ATOM 1636 H2 TIP3 43 -28.900 12.260 0.272 1.00 0.00 WAT1 ATOM 1637 OH2 TIP3 44 -35.612 31.088 -2.104 1.00 0.00 WAT1 ATOM 1638 H1 TIP3 44 -35.412 31.127 -3.068 1.00 0.00 WAT1 ATOM 1639 H2 TIP3 44 -36.570 30.991 -2.065 1.00 0.00 WAT1 ATOM 1640 OH2 TIP3 45 -32.467 27.027 -6.078 1.00 0.00 WAT1 ATOM 1641 H1 TIP3 45 -32.964 26.181 -6.049 1.00 0.00 WAT1 ATOM 1642 H2 TIP3 45 -33.148 27.717 -5.873 1.00 0.00 WAT1 ATOM 1643 OH2 TIP3 46 -25.220 16.104 -7.429 1.00 0.00 WAT1 ATOM 1644 H1 TIP3 46 -24.806 15.308 -7.835 1.00 0.00 WAT1 ATOM 1645 H2 TIP3 46 -25.190 16.770 -8.146 1.00 0.00 WAT1 ATOM 1646 OH2 TIP3 47 -30.690 29.773 1.066 1.00 0.00 WAT1 ATOM 1647 H1 TIP3 47 -30.762 29.427 0.150 1.00 0.00 WAT1 ATOM 1648 H2 TIP3 47 -29.877 29.354 1.410 1.00 0.00 WAT1 ATOM 1649 OH2 TIP3 48 -34.300 27.029 6.299 1.00 0.00 WAT1 ATOM 1650 H1 TIP3 48 -34.413 26.235 5.764 1.00 0.00 WAT1 ATOM 1651 H2 TIP3 48 -33.619 26.776 6.962 1.00 0.00 WAT1 ATOM 1652 OH2 TIP3 49 -27.526 24.760 11.648 1.00 0.00 WAT1 ATOM 1653 H1 TIP3 49 -27.628 24.795 12.614 1.00 0.00 WAT1 ATOM 1654 H2 TIP3 49 -28.423 24.938 11.309 1.00 0.00 WAT1 ATOM 1655 OH2 TIP3 50 -32.680 28.506 12.780 1.00 0.00 WAT1 ATOM 1656 H1 TIP3 50 -31.740 28.769 12.658 1.00 0.00 WAT1 ATOM 1657 H2 TIP3 50 -32.685 28.023 13.641 1.00 0.00 WAT1 ATOM 1658 OH2 TIP3 51 -32.226 26.169 7.992 1.00 0.00 WAT1 ATOM 1659 H1 TIP3 51 -31.806 25.297 8.152 1.00 0.00 WAT1 ATOM 1660 H2 TIP3 51 -32.247 26.588 8.882 1.00 0.00 WAT1 ATOM 1661 OH2 TIP3 52 -30.686 23.966 8.880 1.00 0.00 WAT1 ATOM 1662 H1 TIP3 52 -30.486 23.019 9.079 1.00 0.00 WAT1 ATOM 1663 H2 TIP3 52 -30.409 24.442 9.692 1.00 0.00 WAT1 ATOM 1664 OH2 TIP3 53 -26.222 22.964 8.553 1.00 0.00 WAT1 ATOM 1665 H1 TIP3 53 -25.680 22.906 7.750 1.00 0.00 WAT1 ATOM 1666 H2 TIP3 53 -27.070 22.593 8.295 1.00 0.00 WAT1 ATOM 1667 OH2 TIP3 54 -31.373 23.882 15.673 1.00 0.00 WAT1 ATOM 1668 H1 TIP3 54 -30.977 24.765 15.529 1.00 0.00 WAT1 ATOM 1669 H2 TIP3 54 -32.314 24.074 15.887 1.00 0.00 WAT1 ATOM 1670 OH2 TIP3 55 -28.157 24.598 14.308 1.00 0.00 WAT1 ATOM 1671 H1 TIP3 55 -28.459 23.687 14.173 1.00 0.00 WAT1 ATOM 1672 H2 TIP3 55 -27.630 24.555 15.134 1.00 0.00 WAT1 ATOM 1673 OH2 TIP3 56 -30.091 23.302 6.304 1.00 0.00 WAT1 ATOM 1674 H1 TIP3 56 -30.734 22.632 5.981 1.00 0.00 WAT1 ATOM 1675 H2 TIP3 56 -30.417 23.536 7.200 1.00 0.00 WAT1 ATOM 1676 OH2 TIP3 57 -30.238 25.196 11.275 1.00 0.00 WAT1 ATOM 1677 H1 TIP3 57 -30.949 25.854 11.155 1.00 0.00 WAT1 ATOM 1678 H2 TIP3 57 -30.612 24.548 11.918 1.00 0.00 WAT1 ATOM 1679 OH2 TIP3 58 -31.537 21.366 4.979 1.00 0.00 WAT1 ATOM 1680 H1 TIP3 58 -31.536 20.417 4.792 1.00 0.00 WAT1 ATOM 1681 H2 TIP3 58 -31.513 21.783 4.096 1.00 0.00 WAT1 ATOM 1682 OH2 TIP3 59 -31.878 27.325 10.440 1.00 0.00 WAT1 ATOM 1683 H1 TIP3 59 -32.461 27.671 11.145 1.00 0.00 WAT1 ATOM 1684 H2 TIP3 59 -31.136 27.949 10.422 1.00 0.00 WAT1 ATOM 1685 OH2 TIP3 60 -28.950 26.760 17.691 1.00 0.00 WAT1 ATOM 1686 H1 TIP3 60 -29.009 26.434 18.616 1.00 0.00 WAT1 ATOM 1687 H2 TIP3 60 -29.013 27.744 17.780 1.00 0.00 WAT1 ATOM 1688 OH2 TIP3 61 -35.109 32.823 5.853 1.00 0.00 WAT1 ATOM 1689 H1 TIP3 61 -35.302 32.180 6.574 1.00 0.00 WAT1 ATOM 1690 H2 TIP3 61 -35.230 32.304 5.027 1.00 0.00 WAT1 ATOM 1691 OH2 TIP3 62 -30.971 22.555 2.532 1.00 0.00 WAT1 ATOM 1692 H1 TIP3 62 -30.522 23.411 2.583 1.00 0.00 WAT1 ATOM 1693 H2 TIP3 62 -30.270 21.932 2.229 1.00 0.00 WAT1 ATOM 1694 OH2 TIP3 63 -27.500 31.254 19.162 1.00 0.00 WAT1 ATOM 1695 H1 TIP3 63 -27.411 31.552 20.074 1.00 0.00 WAT1 ATOM 1696 H2 TIP3 63 -26.569 31.058 18.881 1.00 0.00 WAT1 ATOM 1697 OH2 TIP3 64 -31.248 23.317 12.991 1.00 0.00 WAT1 ATOM 1698 H1 TIP3 64 -31.805 22.554 12.805 1.00 0.00 WAT1 ATOM 1699 H2 TIP3 64 -31.279 23.406 13.966 1.00 0.00 WAT1 ATOM 1700 OH2 TIP3 65 -30.755 27.739 6.262 1.00 0.00 WAT1 ATOM 1701 H1 TIP3 65 -31.408 28.357 5.854 1.00 0.00 WAT1 ATOM 1702 H2 TIP3 65 -31.275 27.262 6.944 1.00 0.00 WAT1 ATOM 1703 OH2 TIP3 66 -28.722 25.803 20.262 1.00 0.00 WAT1 ATOM 1704 H1 TIP3 66 -29.067 24.969 20.608 1.00 0.00 WAT1 ATOM 1705 H2 TIP3 66 -28.676 26.381 21.037 1.00 0.00 WAT1 ATOM 1706 OH2 TIP3 67 -30.125 16.279 4.509 1.00 0.00 WAT1 ATOM 1707 H1 TIP3 67 -30.264 15.636 3.785 1.00 0.00 WAT1 ATOM 1708 H2 TIP3 67 -30.254 17.151 4.084 1.00 0.00 WAT1 ATOM 1709 OH2 TIP3 68 -30.143 26.303 15.274 1.00 0.00 WAT1 ATOM 1710 H1 TIP3 68 -29.443 25.889 14.726 1.00 0.00 WAT1 ATOM 1711 H2 TIP3 68 -29.689 26.526 16.117 1.00 0.00 WAT1 ATOM 1712 OH2 TIP3 69 -35.484 28.269 13.106 1.00 0.00 WAT1 ATOM 1713 H1 TIP3 69 -34.622 28.399 12.668 1.00 0.00 WAT1 ATOM 1714 H2 TIP3 69 -36.101 28.839 12.598 1.00 0.00 WAT1 ATOM 1715 OH2 TIP3 70 -33.898 24.889 16.082 1.00 0.00 WAT1 ATOM 1716 H1 TIP3 70 -34.596 25.145 15.430 1.00 0.00 WAT1 ATOM 1717 H2 TIP3 70 -34.387 24.733 16.898 1.00 0.00 WAT1 ATOM 1718 OH2 TIP3 71 -32.679 27.220 15.166 1.00 0.00 WAT1 ATOM 1719 H1 TIP3 71 -31.724 26.978 15.189 1.00 0.00 WAT1 ATOM 1720 H2 TIP3 71 -33.134 26.427 15.516 1.00 0.00 WAT1 ATOM 1721 OH2 TIP3 72 -32.743 29.132 5.080 1.00 0.00 WAT1 ATOM 1722 H1 TIP3 72 -33.505 28.603 5.375 1.00 0.00 WAT1 ATOM 1723 H2 TIP3 72 -32.992 29.437 4.181 1.00 0.00 WAT1 ATOM 1724 OH2 TIP3 73 -38.578 31.255 9.895 1.00 0.00 WAT1 ATOM 1725 H1 TIP3 73 -39.294 31.177 9.259 1.00 0.00 WAT1 ATOM 1726 H2 TIP3 73 -38.072 32.036 9.591 1.00 0.00 WAT1 ATOM 1727 OH2 TIP3 74 -32.488 25.102 0.402 1.00 0.00 WAT1 ATOM 1728 H1 TIP3 74 -32.310 24.148 0.290 1.00 0.00 WAT1 ATOM 1729 H2 TIP3 74 -33.407 25.129 0.742 1.00 0.00 WAT1 ATOM 1730 OH2 TIP3 75 -34.908 23.911 0.939 1.00 0.00 WAT1 ATOM 1731 H1 TIP3 75 -35.775 23.497 0.971 1.00 0.00 WAT1 ATOM 1732 H2 TIP3 75 -34.293 23.170 0.777 1.00 0.00 WAT1 ATOM 1733 OH2 TIP3 76 -35.819 25.921 14.491 1.00 0.00 WAT1 ATOM 1734 H1 TIP3 76 -35.658 26.738 13.966 1.00 0.00 WAT1 ATOM 1735 H2 TIP3 76 -36.753 25.737 14.358 1.00 0.00 WAT1 ATOM 1736 OH2 TIP3 77 -33.039 29.976 2.461 1.00 0.00 WAT1 ATOM 1737 H1 TIP3 77 -33.620 29.805 1.687 1.00 0.00 WAT1 ATOM 1738 H2 TIP3 77 -32.130 29.899 2.093 1.00 0.00 WAT1 ATOM 1739 OH2 TIP3 78 -26.123 25.385 19.354 1.00 0.00 WAT1 ATOM 1740 H1 TIP3 78 -25.719 25.091 20.197 1.00 0.00 WAT1 ATOM 1741 H2 TIP3 78 -27.033 25.638 19.605 1.00 0.00 WAT1 ATOM 1742 OH2 TIP3 79 -29.877 21.388 9.461 1.00 0.00 WAT1 ATOM 1743 H1 TIP3 79 -29.920 20.529 8.990 1.00 0.00 WAT1 ATOM 1744 H2 TIP3 79 -29.428 21.181 10.285 1.00 0.00 WAT1 ATOM 1745 OH2 TIP3 80 -27.598 23.007 5.404 1.00 0.00 WAT1 ATOM 1746 H1 TIP3 80 -28.544 23.024 5.695 1.00 0.00 WAT1 ATOM 1747 H2 TIP3 80 -27.491 22.136 5.004 1.00 0.00 WAT1 ATOM 1748 OH2 TIP3 81 -30.510 18.789 3.197 1.00 0.00 WAT1 ATOM 1749 H1 TIP3 81 -29.956 19.444 2.747 1.00 0.00 WAT1 ATOM 1750 H2 TIP3 81 -30.773 18.166 2.481 1.00 0.00 WAT1 ATOM 1751 OH2 TIP3 82 -30.085 18.799 8.444 1.00 0.00 WAT1 ATOM 1752 H1 TIP3 82 -31.020 18.811 8.215 1.00 0.00 WAT1 ATOM 1753 H2 TIP3 82 -29.754 17.967 8.052 1.00 0.00 WAT1 ATOM 1754 OH2 TIP3 83 -29.020 22.591 16.442 1.00 0.00 WAT1 ATOM 1755 H1 TIP3 83 -28.534 23.402 16.685 1.00 0.00 WAT1 ATOM 1756 H2 TIP3 83 -29.932 22.902 16.258 1.00 0.00 WAT1 ATOM 1757 OH2 TIP3 84 -30.950 16.880 1.304 1.00 0.00 WAT1 ATOM 1758 H1 TIP3 84 -30.972 16.003 1.737 1.00 0.00 WAT1 ATOM 1759 H2 TIP3 84 -30.788 16.675 0.360 1.00 0.00 WAT1 ATOM 1760 OH2 TIP3 85 -29.362 16.408 7.073 1.00 0.00 WAT1 ATOM 1761 H1 TIP3 85 -29.696 16.371 6.138 1.00 0.00 WAT1 ATOM 1762 H2 TIP3 85 -29.423 15.495 7.380 1.00 0.00 WAT1 ATOM 1763 OH2 TIP3 86 -26.384 13.856 1.120 1.00 0.00 WAT1 ATOM 1764 H1 TIP3 86 -26.444 14.832 1.024 1.00 0.00 WAT1 ATOM 1765 H2 TIP3 86 -26.101 13.729 2.049 1.00 0.00 WAT1 ATOM 1766 OH2 TIP3 87 -27.857 29.695 10.406 1.00 0.00 WAT1 ATOM 1767 H1 TIP3 87 -28.250 30.370 9.818 1.00 0.00 WAT1 ATOM 1768 H2 TIP3 87 -28.614 29.341 10.900 1.00 0.00 WAT1 ATOM 1769 OH2 TIP3 88 -34.368 29.398 15.414 1.00 0.00 WAT1 ATOM 1770 H1 TIP3 88 -33.772 28.636 15.559 1.00 0.00 WAT1 ATOM 1771 H2 TIP3 88 -35.003 29.078 14.748 1.00 0.00 WAT1 ATOM 1772 OH2 TIP3 89 -32.742 31.539 15.397 1.00 0.00 WAT1 ATOM 1773 H1 TIP3 89 -32.977 32.139 16.116 1.00 0.00 WAT1 ATOM 1774 H2 TIP3 89 -33.373 30.785 15.497 1.00 0.00 WAT1 ATOM 1775 OH2 TIP3 90 -28.931 29.421 17.681 1.00 0.00 WAT1 ATOM 1776 H1 TIP3 90 -29.450 30.023 17.102 1.00 0.00 WAT1 ATOM 1777 H2 TIP3 90 -28.450 30.029 18.286 1.00 0.00 WAT1 ATOM 1778 OH2 TIP3 91 -34.417 43.762 -45.440 1.00 0.00 WAT1 ATOM 1779 H1 TIP3 91 -35.371 43.893 -45.359 1.00 0.00 WAT1 ATOM 1780 H2 TIP3 91 -34.046 44.208 -44.640 1.00 0.00 WAT1 ATOM 1781 OH2 TIP3 92 -31.634 40.638 -41.291 1.00 0.00 WAT1 ATOM 1782 H1 TIP3 92 -32.120 40.041 -41.897 1.00 0.00 WAT1 ATOM 1783 H2 TIP3 92 -32.087 41.512 -41.407 1.00 0.00 WAT1 ATOM 1784 OH2 TIP3 93 -33.070 42.829 -41.719 1.00 0.00 WAT1 ATOM 1785 H1 TIP3 93 -33.224 43.556 -42.354 1.00 0.00 WAT1 ATOM 1786 H2 TIP3 93 -33.666 43.035 -40.971 1.00 0.00 WAT1 ATOM 1787 OH2 TIP3 94 -33.542 45.055 -43.227 1.00 0.00 WAT1 ATOM 1788 H1 TIP3 94 -33.855 45.413 -42.363 1.00 0.00 WAT1 ATOM 1789 H2 TIP3 94 -32.924 45.745 -43.560 1.00 0.00 WAT1 ATOM 1790 OH2 TIP3 95 -37.846 42.340 -40.645 1.00 0.00 WAT1 ATOM 1791 H1 TIP3 95 -37.621 42.972 -39.928 1.00 0.00 WAT1 ATOM 1792 H2 TIP3 95 -38.325 42.887 -41.302 1.00 0.00 WAT1 ATOM 1793 OH2 TIP3 96 -39.783 43.695 -37.333 1.00 0.00 WAT1 ATOM 1794 H1 TIP3 96 -40.345 42.894 -37.374 1.00 0.00 WAT1 ATOM 1795 H2 TIP3 96 -40.051 44.213 -38.128 1.00 0.00 WAT1 ATOM 1796 OH2 TIP3 97 -36.055 46.484 -47.228 1.00 0.00 WAT1 ATOM 1797 H1 TIP3 97 -36.237 47.076 -47.966 1.00 0.00 WAT1 ATOM 1798 H2 TIP3 97 -35.177 46.102 -47.437 1.00 0.00 WAT1 ATOM 1799 OH2 TIP3 98 -33.542 45.376 -47.525 1.00 0.00 WAT1 ATOM 1800 H1 TIP3 98 -32.638 45.097 -47.792 1.00 0.00 WAT1 ATOM 1801 H2 TIP3 98 -33.792 44.735 -46.826 1.00 0.00 WAT1 ATOM 1802 OH2 TIP3 99 -28.151 41.404 -39.787 1.00 0.00 WAT1 ATOM 1803 H1 TIP3 99 -28.706 42.158 -40.094 1.00 0.00 WAT1 ATOM 1804 H2 TIP3 99 -28.408 40.662 -40.384 1.00 0.00 WAT1 ATOM 1805 OH2 TIP3 100 -32.590 41.638 -45.799 1.00 0.00 WAT1 ATOM 1806 H1 TIP3 100 -32.986 41.042 -45.153 1.00 0.00 WAT1 ATOM 1807 H2 TIP3 100 -33.173 42.425 -45.787 1.00 0.00 WAT1 ATOM 1808 OH2 TIP3 101 -32.117 37.230 -40.768 1.00 0.00 WAT1 ATOM 1809 H1 TIP3 101 -32.108 36.663 -39.990 1.00 0.00 WAT1 ATOM 1810 H2 TIP3 101 -32.965 37.718 -40.699 1.00 0.00 WAT1 ATOM 1811 OH2 TIP3 102 -36.721 45.759 -41.896 1.00 0.00 WAT1 ATOM 1812 H1 TIP3 102 -36.578 45.865 -42.866 1.00 0.00 WAT1 ATOM 1813 H2 TIP3 102 -35.817 45.860 -41.508 1.00 0.00 WAT1 ATOM 1814 OH2 TIP3 103 -41.176 41.348 -37.801 1.00 0.00 WAT1 ATOM 1815 H1 TIP3 103 -41.874 41.250 -38.456 1.00 0.00 WAT1 ATOM 1816 H2 TIP3 103 -40.369 40.991 -38.252 1.00 0.00 WAT1 ATOM 1817 OH2 TIP3 104 -36.455 46.194 -44.566 1.00 0.00 WAT1 ATOM 1818 H1 TIP3 104 -36.440 46.250 -45.548 1.00 0.00 WAT1 ATOM 1819 H2 TIP3 104 -36.063 47.046 -44.276 1.00 0.00 WAT1 ATOM 1820 OH2 TIP3 105 -38.787 43.208 -34.795 1.00 0.00 WAT1 ATOM 1821 H1 TIP3 105 -39.165 43.604 -35.607 1.00 0.00 WAT1 ATOM 1822 H2 TIP3 105 -39.218 42.333 -34.738 1.00 0.00 WAT1 ATOM 1823 OH2 TIP3 106 -29.188 43.339 -36.662 1.00 0.00 WAT1 ATOM 1824 H1 TIP3 106 -29.967 43.929 -36.777 1.00 0.00 WAT1 ATOM 1825 H2 TIP3 106 -29.363 42.599 -37.258 1.00 0.00 WAT1 ATOM 1826 OH2 TIP3 107 -33.241 49.071 -45.208 1.00 0.00 WAT1 ATOM 1827 H1 TIP3 107 -34.066 48.910 -44.695 1.00 0.00 WAT1 ATOM 1828 H2 TIP3 107 -33.006 49.989 -44.998 1.00 0.00 WAT1 ATOM 1829 OH2 TIP3 108 -38.017 51.445 -50.343 1.00 0.00 WAT1 ATOM 1830 H1 TIP3 108 -38.601 52.097 -50.727 1.00 0.00 WAT1 ATOM 1831 H2 TIP3 108 -37.911 51.732 -49.415 1.00 0.00 WAT1 ATOM 1832 OH2 TIP3 109 -32.107 39.585 -36.108 1.00 0.00 WAT1 ATOM 1833 H1 TIP3 109 -32.058 40.063 -36.972 1.00 0.00 WAT1 ATOM 1834 H2 TIP3 109 -31.357 38.977 -36.132 1.00 0.00 WAT1 ATOM 1835 OH2 TIP3 110 -34.888 39.730 -35.706 1.00 0.00 WAT1 ATOM 1836 H1 TIP3 110 -35.043 39.077 -34.984 1.00 0.00 WAT1 ATOM 1837 H2 TIP3 110 -33.929 39.664 -35.885 1.00 0.00 WAT1 ATOM 1838 OH2 TIP3 111 -34.650 38.442 -40.766 1.00 0.00 WAT1 ATOM 1839 H1 TIP3 111 -34.823 39.396 -40.550 1.00 0.00 WAT1 ATOM 1840 H2 TIP3 111 -35.497 38.011 -40.606 1.00 0.00 WAT1 ATOM 1841 OH2 TIP3 112 -34.770 43.532 -39.617 1.00 0.00 WAT1 ATOM 1842 H1 TIP3 112 -35.587 43.653 -39.090 1.00 0.00 WAT1 ATOM 1843 H2 TIP3 112 -34.563 44.440 -39.950 1.00 0.00 WAT1 ATOM 1844 OH2 TIP3 113 -37.494 39.456 -36.542 1.00 0.00 WAT1 ATOM 1845 H1 TIP3 113 -37.719 38.942 -35.743 1.00 0.00 WAT1 ATOM 1846 H2 TIP3 113 -36.525 39.591 -36.471 1.00 0.00 WAT1 ATOM 1847 OH2 TIP3 114 -33.048 48.092 -47.806 1.00 0.00 WAT1 ATOM 1848 H1 TIP3 114 -33.267 47.140 -47.747 1.00 0.00 WAT1 ATOM 1849 H2 TIP3 114 -33.193 48.427 -46.898 1.00 0.00 WAT1 ATOM 1850 OH2 TIP3 115 -31.452 40.755 -38.468 1.00 0.00 WAT1 ATOM 1851 H1 TIP3 115 -31.523 40.676 -39.443 1.00 0.00 WAT1 ATOM 1852 H2 TIP3 115 -30.536 40.482 -38.271 1.00 0.00 WAT1 ATOM 1853 OH2 TIP3 116 -37.307 44.001 -38.536 1.00 0.00 WAT1 ATOM 1854 H1 TIP3 116 -38.041 43.777 -37.926 1.00 0.00 WAT1 ATOM 1855 H2 TIP3 116 -37.472 44.941 -38.772 1.00 0.00 WAT1 ATOM 1856 OH2 TIP3 117 -30.891 44.639 -47.795 1.00 0.00 WAT1 ATOM 1857 H1 TIP3 117 -30.962 44.434 -46.832 1.00 0.00 WAT1 ATOM 1858 H2 TIP3 117 -30.210 44.018 -48.118 1.00 0.00 WAT1 ATOM 1859 OH2 TIP3 118 -29.117 39.696 -41.675 1.00 0.00 WAT1 ATOM 1860 H1 TIP3 118 -28.665 40.298 -42.308 1.00 0.00 WAT1 ATOM 1861 H2 TIP3 118 -30.034 40.051 -41.616 1.00 0.00 WAT1 ATOM 1862 OH2 TIP3 119 -38.859 40.537 -38.851 1.00 0.00 WAT1 ATOM 1863 H1 TIP3 119 -38.377 41.058 -39.527 1.00 0.00 WAT1 ATOM 1864 H2 TIP3 119 -38.155 40.150 -38.298 1.00 0.00 WAT1 ATOM 1865 OH2 TIP3 120 -39.766 40.716 -35.495 1.00 0.00 WAT1 ATOM 1866 H1 TIP3 120 -40.482 40.887 -36.141 1.00 0.00 WAT1 ATOM 1867 H2 TIP3 120 -39.031 40.372 -36.041 1.00 0.00 WAT1 ATOM 1868 OH2 TIP3 121 -35.743 38.004 -33.780 1.00 0.00 WAT1 ATOM 1869 H1 TIP3 121 -36.686 38.280 -33.796 1.00 0.00 WAT1 ATOM 1870 H2 TIP3 121 -35.637 37.586 -32.921 1.00 0.00 WAT1 ATOM 1871 OH2 TIP3 122 -35.532 40.945 -40.270 1.00 0.00 WAT1 ATOM 1872 H1 TIP3 122 -35.064 41.726 -39.915 1.00 0.00 WAT1 ATOM 1873 H2 TIP3 122 -36.381 41.308 -40.597 1.00 0.00 WAT1 ATOM 1874 OH2 TIP3 123 -31.696 44.410 -36.967 1.00 0.00 WAT1 ATOM 1875 H1 TIP3 123 -31.959 44.319 -36.018 1.00 0.00 WAT1 ATOM 1876 H2 TIP3 123 -32.225 43.741 -37.421 1.00 0.00 WAT1 ATOM 1877 OH2 TIP3 124 -28.120 44.819 -32.577 1.00 0.00 WAT1 ATOM 1878 H1 TIP3 124 -28.445 44.006 -33.015 1.00 0.00 WAT1 ATOM 1879 H2 TIP3 124 -28.382 45.539 -33.186 1.00 0.00 WAT1 ATOM 1880 OH2 TIP3 125 -28.668 42.958 -48.157 1.00 0.00 WAT1 ATOM 1881 H1 TIP3 125 -28.323 42.518 -48.939 1.00 0.00 WAT1 ATOM 1882 H2 TIP3 125 -29.168 42.248 -47.679 1.00 0.00 WAT1 ATOM 1883 OH2 TIP3 126 -30.209 41.093 -46.994 1.00 0.00 WAT1 ATOM 1884 H1 TIP3 126 -31.060 41.421 -46.614 1.00 0.00 WAT1 ATOM 1885 H2 TIP3 126 -30.133 40.197 -46.656 1.00 0.00 WAT1 ATOM 1886 OH2 TIP3 127 -32.988 38.882 -42.969 1.00 0.00 WAT1 ATOM 1887 H1 TIP3 127 -32.450 38.104 -42.758 1.00 0.00 WAT1 ATOM 1888 H2 TIP3 127 -33.779 38.785 -42.404 1.00 0.00 WAT1 ATOM 1889 OH2 TIP3 128 -28.910 40.126 -37.551 1.00 0.00 WAT1 ATOM 1890 H1 TIP3 128 -28.518 40.653 -38.282 1.00 0.00 WAT1 ATOM 1891 H2 TIP3 128 -28.452 39.251 -37.620 1.00 0.00 WAT1 ATOM 1892 OH2 TIP3 129 -27.195 36.344 -39.940 1.00 0.00 WAT1 ATOM 1893 H1 TIP3 129 -28.038 36.382 -40.437 1.00 0.00 WAT1 ATOM 1894 H2 TIP3 129 -26.520 36.171 -40.630 1.00 0.00 WAT1 ATOM 1895 OH2 TIP3 130 -27.933 35.417 -43.301 1.00 0.00 WAT1 ATOM 1896 H1 TIP3 130 -27.077 35.602 -42.881 1.00 0.00 WAT1 ATOM 1897 H2 TIP3 130 -28.581 35.861 -42.728 1.00 0.00 WAT1 ATOM 1898 OH2 TIP3 131 -29.435 36.948 -41.479 1.00 0.00 WAT1 ATOM 1899 H1 TIP3 131 -30.397 36.961 -41.312 1.00 0.00 WAT1 ATOM 1900 H2 TIP3 131 -29.204 37.893 -41.611 1.00 0.00 WAT1 ATOM 1901 OH2 TIP3 132 -30.858 44.180 -45.115 1.00 0.00 WAT1 ATOM 1902 H1 TIP3 132 -30.389 44.963 -44.768 1.00 0.00 WAT1 ATOM 1903 H2 TIP3 132 -31.015 43.631 -44.339 1.00 0.00 WAT1 ATOM 1904 OH2 TIP3 133 -40.125 44.912 -39.723 1.00 0.00 WAT1 ATOM 1905 H1 TIP3 133 -39.937 44.615 -40.634 1.00 0.00 WAT1 ATOM 1906 H2 TIP3 133 -39.496 45.646 -39.577 1.00 0.00 WAT1 ATOM 1907 OH2 TIP3 134 -39.000 44.286 -42.218 1.00 0.00 WAT1 ATOM 1908 H1 TIP3 134 -39.278 44.450 -43.126 1.00 0.00 WAT1 ATOM 1909 H2 TIP3 134 -38.179 44.820 -42.117 1.00 0.00 WAT1 ATOM 1910 OH2 TIP3 135 -37.893 46.488 -39.548 1.00 0.00 WAT1 ATOM 1911 H1 TIP3 135 -37.528 46.311 -40.444 1.00 0.00 WAT1 ATOM 1912 H2 TIP3 135 -37.504 47.354 -39.301 1.00 0.00 WAT1 ATOM 1913 OH2 TIP3 136 -30.791 48.967 -48.945 1.00 0.00 WAT1 ATOM 1914 H1 TIP3 136 -31.640 48.653 -48.549 1.00 0.00 WAT1 ATOM 1915 H2 TIP3 136 -31.065 49.544 -49.661 1.00 0.00 WAT1 ATOM 1916 OH2 TIP3 137 -33.000 44.663 -27.178 1.00 0.00 WAT1 ATOM 1917 H1 TIP3 137 -33.424 44.053 -27.816 1.00 0.00 WAT1 ATOM 1918 H2 TIP3 137 -32.858 44.120 -26.394 1.00 0.00 WAT1 ATOM 1919 OH2 TIP3 138 -32.559 41.738 -26.424 1.00 0.00 WAT1 ATOM 1920 H1 TIP3 138 -33.275 41.235 -26.020 1.00 0.00 WAT1 ATOM 1921 H2 TIP3 138 -32.921 42.008 -27.296 1.00 0.00 WAT1 ATOM 1922 OH2 TIP3 139 -23.246 35.759 -19.224 1.00 0.00 WAT1 ATOM 1923 H1 TIP3 139 -23.139 36.674 -18.884 1.00 0.00 WAT1 ATOM 1924 H2 TIP3 139 -23.621 35.880 -20.117 1.00 0.00 WAT1 ATOM 1925 OH2 TIP3 140 -32.316 41.680 -30.531 1.00 0.00 WAT1 ATOM 1926 H1 TIP3 140 -31.931 40.950 -31.052 1.00 0.00 WAT1 ATOM 1927 H2 TIP3 140 -31.615 41.899 -29.869 1.00 0.00 WAT1 ATOM 1928 OH2 TIP3 141 -30.720 42.611 -22.522 1.00 0.00 WAT1 ATOM 1929 H1 TIP3 141 -30.017 42.664 -21.839 1.00 0.00 WAT1 ATOM 1930 H2 TIP3 141 -31.196 43.464 -22.441 1.00 0.00 WAT1 ATOM 1931 OH2 TIP3 142 -27.221 44.699 -20.136 1.00 0.00 WAT1 ATOM 1932 H1 TIP3 142 -27.844 45.410 -20.373 1.00 0.00 WAT1 ATOM 1933 H2 TIP3 142 -27.771 43.888 -20.168 1.00 0.00 WAT1 ATOM 1934 OH2 TIP3 143 -27.167 39.193 -22.448 1.00 0.00 WAT1 ATOM 1935 H1 TIP3 143 -28.138 39.106 -22.331 1.00 0.00 WAT1 ATOM 1936 H2 TIP3 143 -27.066 39.500 -23.374 1.00 0.00 WAT1 ATOM 1937 OH2 TIP3 144 -30.501 42.119 -28.583 1.00 0.00 WAT1 ATOM 1938 H1 TIP3 144 -30.716 42.081 -27.640 1.00 0.00 WAT1 ATOM 1939 H2 TIP3 144 -29.574 41.794 -28.634 1.00 0.00 WAT1 ATOM 1940 OH2 TIP3 145 -28.993 40.029 -18.154 1.00 0.00 WAT1 ATOM 1941 H1 TIP3 145 -28.185 40.226 -18.676 1.00 0.00 WAT1 ATOM 1942 H2 TIP3 145 -29.372 40.909 -17.960 1.00 0.00 WAT1 ATOM 1943 OH2 TIP3 146 -31.664 45.189 -22.087 1.00 0.00 WAT1 ATOM 1944 H1 TIP3 146 -31.695 45.928 -22.702 1.00 0.00 WAT1 ATOM 1945 H2 TIP3 146 -30.936 45.418 -21.473 1.00 0.00 WAT1 ATOM 1946 OH2 TIP3 147 -28.398 46.862 -34.428 1.00 0.00 WAT1 ATOM 1947 H1 TIP3 147 -29.368 46.992 -34.509 1.00 0.00 WAT1 ATOM 1948 H2 TIP3 147 -28.031 47.334 -35.212 1.00 0.00 WAT1 ATOM 1949 OH2 TIP3 148 -29.065 37.825 -16.316 1.00 0.00 WAT1 ATOM 1950 H1 TIP3 148 -29.064 38.646 -16.848 1.00 0.00 WAT1 ATOM 1951 H2 TIP3 148 -28.944 37.113 -16.977 1.00 0.00 WAT1 ATOM 1952 OH2 TIP3 149 -31.378 41.235 -34.036 1.00 0.00 WAT1 ATOM 1953 H1 TIP3 149 -31.779 40.670 -34.732 1.00 0.00 WAT1 ATOM 1954 H2 TIP3 149 -31.319 40.646 -33.254 1.00 0.00 WAT1 ATOM 1955 OH2 TIP3 150 -34.034 42.587 -28.648 1.00 0.00 WAT1 ATOM 1956 H1 TIP3 150 -33.531 42.156 -29.375 1.00 0.00 WAT1 ATOM 1957 H2 TIP3 150 -34.809 42.988 -29.102 1.00 0.00 WAT1 ATOM 1958 OH2 TIP3 151 -30.675 40.803 -24.560 1.00 0.00 WAT1 ATOM 1959 H1 TIP3 151 -30.704 41.526 -23.893 1.00 0.00 WAT1 ATOM 1960 H2 TIP3 151 -31.292 41.096 -25.257 1.00 0.00 WAT1 ATOM 1961 OH2 TIP3 152 -33.576 43.642 -31.987 1.00 0.00 WAT1 ATOM 1962 H1 TIP3 152 -34.374 43.768 -31.443 1.00 0.00 WAT1 ATOM 1963 H2 TIP3 152 -33.069 42.953 -31.511 1.00 0.00 WAT1 ATOM 1964 OH2 TIP3 153 -29.675 46.051 -20.357 1.00 0.00 WAT1 ATOM 1965 H1 TIP3 153 -30.173 46.888 -20.247 1.00 0.00 WAT1 ATOM 1966 H2 TIP3 153 -29.603 45.696 -19.444 1.00 0.00 WAT1 ATOM 1967 OH2 TIP3 154 -29.919 39.452 -22.271 1.00 0.00 WAT1 ATOM 1968 H1 TIP3 154 -30.431 40.123 -21.802 1.00 0.00 WAT1 ATOM 1969 H2 TIP3 154 -30.103 39.636 -23.218 1.00 0.00 WAT1 ATOM 1970 OH2 TIP3 155 -35.037 47.483 -25.732 1.00 0.00 WAT1 ATOM 1971 H1 TIP3 155 -35.033 46.812 -26.426 1.00 0.00 WAT1 ATOM 1972 H2 TIP3 155 -34.104 47.797 -25.696 1.00 0.00 WAT1 ATOM 1973 OH2 TIP3 156 -33.773 46.489 -19.650 1.00 0.00 WAT1 ATOM 1974 H1 TIP3 156 -33.419 45.675 -20.032 1.00 0.00 WAT1 ATOM 1975 H2 TIP3 156 -34.409 46.179 -18.975 1.00 0.00 WAT1 ATOM 1976 OH2 TIP3 157 -38.342 48.314 -28.592 1.00 0.00 WAT1 ATOM 1977 H1 TIP3 157 -39.199 48.576 -28.209 1.00 0.00 WAT1 ATOM 1978 H2 TIP3 157 -38.083 49.076 -29.147 1.00 0.00 WAT1 ATOM 1979 OH2 TIP3 158 -32.403 43.723 -34.451 1.00 0.00 WAT1 ATOM 1980 H1 TIP3 158 -32.028 42.833 -34.293 1.00 0.00 WAT1 ATOM 1981 H2 TIP3 158 -32.951 43.892 -33.653 1.00 0.00 WAT1 ATOM 1982 OH2 TIP3 159 -31.043 48.331 -19.891 1.00 0.00 WAT1 ATOM 1983 H1 TIP3 159 -30.473 48.926 -20.414 1.00 0.00 WAT1 ATOM 1984 H2 TIP3 159 -31.959 48.608 -20.126 1.00 0.00 WAT1 ATOM 1985 OH2 TIP3 160 -30.730 39.755 -31.805 1.00 0.00 WAT1 ATOM 1986 H1 TIP3 160 -30.618 38.883 -31.411 1.00 0.00 WAT1 ATOM 1987 H2 TIP3 160 -29.832 40.157 -31.760 1.00 0.00 WAT1 ATOM 1988 OH2 TIP3 161 -36.116 41.887 -34.458 1.00 0.00 WAT1 ATOM 1989 H1 TIP3 161 -35.608 41.235 -34.983 1.00 0.00 WAT1 ATOM 1990 H2 TIP3 161 -36.809 42.195 -35.063 1.00 0.00 WAT1 ATOM 1991 OH2 TIP3 162 -37.110 40.774 -32.156 1.00 0.00 WAT1 ATOM 1992 H1 TIP3 162 -36.627 41.183 -32.905 1.00 0.00 WAT1 ATOM 1993 H2 TIP3 162 -37.197 41.488 -31.514 1.00 0.00 WAT1 ATOM 1994 OH2 TIP3 163 -35.877 43.838 -30.339 1.00 0.00 WAT1 ATOM 1995 H1 TIP3 163 -36.342 43.835 -31.207 1.00 0.00 WAT1 ATOM 1996 H2 TIP3 163 -36.194 44.664 -29.905 1.00 0.00 WAT1 ATOM 1997 OH2 TIP3 164 -36.705 46.340 -29.606 1.00 0.00 WAT1 ATOM 1998 H1 TIP3 164 -36.366 46.991 -30.246 1.00 0.00 WAT1 ATOM 1999 H2 TIP3 164 -37.325 46.855 -29.049 1.00 0.00 WAT1 ATOM 2000 OH2 TIP3 165 -28.927 35.767 -18.197 1.00 0.00 WAT1 ATOM 2001 H1 TIP3 165 -29.830 35.405 -18.055 1.00 0.00 WAT1 ATOM 2002 H2 TIP3 165 -29.042 36.414 -18.930 1.00 0.00 WAT1 ATOM 2003 OH2 TIP3 166 -29.558 45.543 -17.715 1.00 0.00 WAT1 ATOM 2004 H1 TIP3 166 -30.337 46.085 -17.454 1.00 0.00 WAT1 ATOM 2005 H2 TIP3 166 -28.796 46.003 -17.298 1.00 0.00 WAT1 ATOM 2006 OH2 TIP3 167 -38.298 39.015 -33.854 1.00 0.00 WAT1 ATOM 2007 H1 TIP3 167 -37.969 39.575 -33.114 1.00 0.00 WAT1 ATOM 2008 H2 TIP3 167 -39.042 39.528 -34.227 1.00 0.00 WAT1 ATOM 2009 OH2 TIP3 168 -28.935 42.562 -20.418 1.00 0.00 WAT1 ATOM 2010 H1 TIP3 168 -29.401 42.585 -19.554 1.00 0.00 WAT1 ATOM 2011 H2 TIP3 168 -28.282 41.833 -20.319 1.00 0.00 WAT1 ATOM 2012 OH2 TIP3 169 -29.897 42.769 -17.807 1.00 0.00 WAT1 ATOM 2013 H1 TIP3 169 -30.278 42.639 -16.906 1.00 0.00 WAT1 ATOM 2014 H2 TIP3 169 -29.762 43.740 -17.864 1.00 0.00 WAT1 ATOM 2015 OH2 TIP3 170 -29.005 42.574 -34.003 1.00 0.00 WAT1 ATOM 2016 H1 TIP3 170 -29.905 42.176 -33.940 1.00 0.00 WAT1 ATOM 2017 H2 TIP3 170 -28.980 42.963 -34.907 1.00 0.00 WAT1 ATOM 2018 OH2 TIP3 171 -31.405 35.007 -17.288 1.00 0.00 WAT1 ATOM 2019 H1 TIP3 171 -31.101 35.064 -16.361 1.00 0.00 WAT1 ATOM 2020 H2 TIP3 171 -32.356 35.120 -17.234 1.00 0.00 WAT1 ATOM 2021 OH2 TIP3 172 -27.064 40.637 -20.047 1.00 0.00 WAT1 ATOM 2022 H1 TIP3 172 -26.132 40.522 -19.742 1.00 0.00 WAT1 ATOM 2023 H2 TIP3 172 -27.111 40.098 -20.862 1.00 0.00 WAT1 ATOM 2024 OH2 TIP3 173 -37.313 50.150 -30.388 1.00 0.00 WAT1 ATOM 2025 H1 TIP3 173 -37.729 50.678 -31.104 1.00 0.00 WAT1 ATOM 2026 H2 TIP3 173 -36.816 49.448 -30.862 1.00 0.00 WAT1 ATOM 2027 OH2 TIP3 174 -28.218 40.873 -31.889 1.00 0.00 WAT1 ATOM 2028 H1 TIP3 174 -28.403 41.649 -32.457 1.00 0.00 WAT1 ATOM 2029 H2 TIP3 174 -27.535 40.385 -32.372 1.00 0.00 WAT1 ATOM 2030 OH2 TIP3 175 -29.392 37.879 -19.917 1.00 0.00 WAT1 ATOM 2031 H1 TIP3 175 -29.367 38.640 -19.306 1.00 0.00 WAT1 ATOM 2032 H2 TIP3 175 -29.635 38.269 -20.776 1.00 0.00 WAT1 ATOM 2033 OH2 TIP3 176 -24.809 29.850 -12.160 1.00 0.00 WAT1 ATOM 2034 H1 TIP3 176 -24.427 30.549 -12.733 1.00 0.00 WAT1 ATOM 2035 H2 TIP3 176 -25.056 29.132 -12.787 1.00 0.00 WAT1 ATOM 2036 OH2 TIP3 177 -35.944 44.035 -20.055 1.00 0.00 WAT1 ATOM 2037 H1 TIP3 177 -36.009 43.197 -20.518 1.00 0.00 WAT1 ATOM 2038 H2 TIP3 177 -36.079 44.712 -20.761 1.00 0.00 WAT1 ATOM 2039 OH2 TIP3 178 -34.433 47.647 -16.686 1.00 0.00 WAT1 ATOM 2040 H1 TIP3 178 -34.720 46.755 -16.989 1.00 0.00 WAT1 ATOM 2041 H2 TIP3 178 -35.239 48.202 -16.792 1.00 0.00 WAT1 ATOM 2042 OH2 TIP3 179 -36.161 45.817 -22.106 1.00 0.00 WAT1 ATOM 2043 H1 TIP3 179 -35.249 46.075 -22.275 1.00 0.00 WAT1 ATOM 2044 H2 TIP3 179 -36.685 46.404 -22.686 1.00 0.00 WAT1 ATOM 2045 OH2 TIP3 180 -35.713 49.365 -22.058 1.00 0.00 WAT1 ATOM 2046 H1 TIP3 180 -36.270 48.863 -22.693 1.00 0.00 WAT1 ATOM 2047 H2 TIP3 180 -36.255 50.143 -21.822 1.00 0.00 WAT1 ATOM 2048 OH2 TIP3 181 -33.585 49.056 -20.498 1.00 0.00 WAT1 ATOM 2049 H1 TIP3 181 -34.314 49.179 -21.157 1.00 0.00 WAT1 ATOM 2050 H2 TIP3 181 -33.728 48.140 -20.155 1.00 0.00 WAT1 ATOM 2051 OH2 TIP3 182 -32.435 48.225 -25.953 1.00 0.00 WAT1 ATOM 2052 H1 TIP3 182 -31.864 49.020 -25.927 1.00 0.00 WAT1 ATOM 2053 H2 TIP3 182 -32.093 47.714 -26.714 1.00 0.00 WAT1 ATOM 2054 OH2 TIP3 183 -33.248 40.351 -5.407 1.00 0.00 WAT1 ATOM 2055 H1 TIP3 183 -33.395 41.028 -6.098 1.00 0.00 WAT1 ATOM 2056 H2 TIP3 183 -33.241 39.505 -5.898 1.00 0.00 WAT1 ATOM 2057 OH2 TIP3 184 -30.202 39.524 -7.489 1.00 0.00 WAT1 ATOM 2058 H1 TIP3 184 -30.227 38.788 -8.139 1.00 0.00 WAT1 ATOM 2059 H2 TIP3 184 -30.346 40.333 -8.036 1.00 0.00 WAT1 ATOM 2060 OH2 TIP3 185 -37.480 45.096 -12.647 1.00 0.00 WAT1 ATOM 2061 H1 TIP3 185 -37.674 45.203 -13.586 1.00 0.00 WAT1 ATOM 2062 H2 TIP3 185 -37.021 45.905 -12.405 1.00 0.00 WAT1 ATOM 2063 OH2 TIP3 186 -32.372 38.024 -6.585 1.00 0.00 WAT1 ATOM 2064 H1 TIP3 186 -31.597 38.567 -6.832 1.00 0.00 WAT1 ATOM 2065 H2 TIP3 186 -32.356 37.294 -7.219 1.00 0.00 WAT1 ATOM 2066 OH2 TIP3 187 -28.560 35.661 -8.372 1.00 0.00 WAT1 ATOM 2067 H1 TIP3 187 -28.015 35.474 -9.146 1.00 0.00 WAT1 ATOM 2068 H2 TIP3 187 -28.080 36.383 -7.907 1.00 0.00 WAT1 ATOM 2069 OH2 TIP3 188 -28.968 29.365 -7.070 1.00 0.00 WAT1 ATOM 2070 H1 TIP3 188 -29.679 28.887 -7.550 1.00 0.00 WAT1 ATOM 2071 H2 TIP3 188 -28.684 30.064 -7.700 1.00 0.00 WAT1 ATOM 2072 OH2 TIP3 189 -30.650 43.947 -4.310 1.00 0.00 WAT1 ATOM 2073 H1 TIP3 189 -30.629 44.888 -4.589 1.00 0.00 WAT1 ATOM 2074 H2 TIP3 189 -30.974 43.479 -5.094 1.00 0.00 WAT1 ATOM 2075 OH2 TIP3 190 -37.602 31.683 -6.055 1.00 0.00 WAT1 ATOM 2076 H1 TIP3 190 -38.424 32.102 -6.323 1.00 0.00 WAT1 ATOM 2077 H2 TIP3 190 -37.601 30.823 -6.540 1.00 0.00 WAT1 ATOM 2078 OH2 TIP3 191 -35.787 42.455 -8.831 1.00 0.00 WAT1 ATOM 2079 H1 TIP3 191 -34.889 42.449 -8.445 1.00 0.00 WAT1 ATOM 2080 H2 TIP3 191 -36.319 41.968 -8.197 1.00 0.00 WAT1 ATOM 2081 OH2 TIP3 192 -30.826 41.768 -8.975 1.00 0.00 WAT1 ATOM 2082 H1 TIP3 192 -30.595 42.666 -8.696 1.00 0.00 WAT1 ATOM 2083 H2 TIP3 192 -31.117 41.877 -9.912 1.00 0.00 WAT1 ATOM 2084 OH2 TIP3 193 -26.642 39.641 -2.539 1.00 0.00 WAT1 ATOM 2085 H1 TIP3 193 -27.452 39.086 -2.478 1.00 0.00 WAT1 ATOM 2086 H2 TIP3 193 -26.977 40.562 -2.427 1.00 0.00 WAT1 ATOM 2087 OH2 TIP3 194 -27.240 36.969 -14.450 1.00 0.00 WAT1 ATOM 2088 H1 TIP3 194 -27.164 36.160 -14.992 1.00 0.00 WAT1 ATOM 2089 H2 TIP3 194 -27.812 37.556 -14.984 1.00 0.00 WAT1 ATOM 2090 OH2 TIP3 195 -33.247 42.190 -7.573 1.00 0.00 WAT1 ATOM 2091 H1 TIP3 195 -32.879 43.058 -7.297 1.00 0.00 WAT1 ATOM 2092 H2 TIP3 195 -32.580 41.840 -8.194 1.00 0.00 WAT1 ATOM 2093 OH2 TIP3 196 -28.166 36.686 -0.383 1.00 0.00 WAT1 ATOM 2094 H1 TIP3 196 -27.501 37.181 0.128 1.00 0.00 WAT1 ATOM 2095 H2 TIP3 196 -28.521 37.342 -1.020 1.00 0.00 WAT1 ATOM 2096 OH2 TIP3 197 -30.435 39.864 -4.751 1.00 0.00 WAT1 ATOM 2097 H1 TIP3 197 -31.406 39.785 -4.740 1.00 0.00 WAT1 ATOM 2098 H2 TIP3 197 -30.205 39.822 -5.703 1.00 0.00 WAT1 ATOM 2099 OH2 TIP3 198 -26.665 35.881 -12.052 1.00 0.00 WAT1 ATOM 2100 H1 TIP3 198 -26.832 36.386 -12.888 1.00 0.00 WAT1 ATOM 2101 H2 TIP3 198 -26.601 36.575 -11.365 1.00 0.00 WAT1 ATOM 2102 OH2 TIP3 199 -36.197 42.781 -11.594 1.00 0.00 WAT1 ATOM 2103 H1 TIP3 199 -36.849 43.488 -11.758 1.00 0.00 WAT1 ATOM 2104 H2 TIP3 199 -36.170 42.697 -10.617 1.00 0.00 WAT1 ATOM 2105 OH2 TIP3 200 -27.016 33.363 -7.758 1.00 0.00 WAT1 ATOM 2106 H1 TIP3 200 -27.770 33.974 -7.667 1.00 0.00 WAT1 ATOM 2107 H2 TIP3 200 -27.412 32.553 -8.151 1.00 0.00 WAT1 ATOM 2108 OH2 TIP3 201 -25.623 46.693 0.557 1.00 0.00 WAT1 ATOM 2109 H1 TIP3 201 -25.820 45.757 0.754 1.00 0.00 WAT1 ATOM 2110 H2 TIP3 201 -26.497 47.125 0.569 1.00 0.00 WAT1 ATOM 2111 OH2 TIP3 202 -35.764 51.590 -12.910 1.00 0.00 WAT1 ATOM 2112 H1 TIP3 202 -34.872 51.495 -12.530 1.00 0.00 WAT1 ATOM 2113 H2 TIP3 202 -36.326 51.813 -12.143 1.00 0.00 WAT1 ATOM 2114 OH2 TIP3 203 -22.560 38.806 0.296 1.00 0.00 WAT1 ATOM 2115 H1 TIP3 203 -22.112 38.883 1.169 1.00 0.00 WAT1 ATOM 2116 H2 TIP3 203 -22.113 38.064 -0.133 1.00 0.00 WAT1 ATOM 2117 OH2 TIP3 204 -33.924 33.221 -1.492 1.00 0.00 WAT1 ATOM 2118 H1 TIP3 204 -33.179 32.664 -1.161 1.00 0.00 WAT1 ATOM 2119 H2 TIP3 204 -34.637 32.579 -1.676 1.00 0.00 WAT1 ATOM 2120 OH2 TIP3 205 -28.567 34.350 -1.858 1.00 0.00 WAT1 ATOM 2121 H1 TIP3 205 -28.885 33.853 -1.093 1.00 0.00 WAT1 ATOM 2122 H2 TIP3 205 -28.297 35.211 -1.485 1.00 0.00 WAT1 ATOM 2123 OH2 TIP3 206 -30.750 37.233 -8.946 1.00 0.00 WAT1 ATOM 2124 H1 TIP3 206 -30.995 37.014 -9.850 1.00 0.00 WAT1 ATOM 2125 H2 TIP3 206 -30.058 36.573 -8.716 1.00 0.00 WAT1 ATOM 2126 OH2 TIP3 207 -32.608 36.684 -4.088 1.00 0.00 WAT1 ATOM 2127 H1 TIP3 207 -32.802 37.409 -3.471 1.00 0.00 WAT1 ATOM 2128 H2 TIP3 207 -32.588 37.113 -4.961 1.00 0.00 WAT1 ATOM 2129 OH2 TIP3 208 -29.117 38.548 -2.265 1.00 0.00 WAT1 ATOM 2130 H1 TIP3 208 -29.627 38.615 -3.093 1.00 0.00 WAT1 ATOM 2131 H2 TIP3 208 -29.670 39.018 -1.604 1.00 0.00 WAT1 ATOM 2132 OH2 TIP3 209 -30.074 35.387 -14.885 1.00 0.00 WAT1 ATOM 2133 H1 TIP3 209 -29.210 35.064 -15.232 1.00 0.00 WAT1 ATOM 2134 H2 TIP3 209 -30.002 36.355 -14.945 1.00 0.00 WAT1 ATOM 2135 OH2 TIP3 210 -30.433 32.592 -10.401 1.00 0.00 WAT1 ATOM 2136 H1 TIP3 210 -31.361 32.353 -10.308 1.00 0.00 WAT1 ATOM 2137 H2 TIP3 210 -30.353 32.885 -11.331 1.00 0.00 WAT1 ATOM 2138 OH2 TIP3 211 -37.869 45.225 -16.309 1.00 0.00 WAT1 ATOM 2139 H1 TIP3 211 -38.271 46.062 -16.642 1.00 0.00 WAT1 ATOM 2140 H2 TIP3 211 -38.581 44.582 -16.367 1.00 0.00 WAT1 ATOM 2141 OH2 TIP3 212 -22.298 34.747 -13.235 1.00 0.00 WAT1 ATOM 2142 H1 TIP3 212 -22.986 34.728 -12.532 1.00 0.00 WAT1 ATOM 2143 H2 TIP3 212 -21.795 35.570 -13.053 1.00 0.00 WAT1 ATOM 2144 OH2 TIP3 213 -30.950 41.639 -2.689 1.00 0.00 WAT1 ATOM 2145 H1 TIP3 213 -30.958 42.544 -3.060 1.00 0.00 WAT1 ATOM 2146 H2 TIP3 213 -30.606 41.086 -3.422 1.00 0.00 WAT1 ATOM 2147 OH2 TIP3 214 -32.247 45.262 -12.250 1.00 0.00 WAT1 ATOM 2148 H1 TIP3 214 -32.972 44.655 -12.502 1.00 0.00 WAT1 ATOM 2149 H2 TIP3 214 -32.211 45.906 -12.986 1.00 0.00 WAT1 ATOM 2150 OH2 TIP3 215 -31.756 42.555 -11.403 1.00 0.00 WAT1 ATOM 2151 H1 TIP3 215 -31.477 43.470 -11.576 1.00 0.00 WAT1 ATOM 2152 H2 TIP3 215 -32.604 42.475 -11.884 1.00 0.00 WAT1 ATOM 2153 OH2 TIP3 216 -32.183 33.933 -3.558 1.00 0.00 WAT1 ATOM 2154 H1 TIP3 216 -32.249 34.895 -3.751 1.00 0.00 WAT1 ATOM 2155 H2 TIP3 216 -32.849 33.787 -2.856 1.00 0.00 WAT1 ATOM 2156 OH2 TIP3 217 -30.063 33.275 -13.104 1.00 0.00 WAT1 ATOM 2157 H1 TIP3 217 -29.082 33.281 -13.026 1.00 0.00 WAT1 ATOM 2158 H2 TIP3 217 -30.259 34.039 -13.690 1.00 0.00 WAT1 ATOM 2159 OH2 TIP3 218 -33.947 43.187 -12.994 1.00 0.00 WAT1 ATOM 2160 H1 TIP3 218 -34.738 42.978 -12.435 1.00 0.00 WAT1 ATOM 2161 H2 TIP3 218 -34.297 43.220 -13.890 1.00 0.00 WAT1 ATOM 2162 OH2 TIP3 219 -34.095 39.555 -0.190 1.00 0.00 WAT1 ATOM 2163 H1 TIP3 219 -33.851 39.362 -1.112 1.00 0.00 WAT1 ATOM 2164 H2 TIP3 219 -34.858 38.959 -0.013 1.00 0.00 WAT1 ATOM 2165 OH2 TIP3 220 -30.426 30.630 -13.824 1.00 0.00 WAT1 ATOM 2166 H1 TIP3 220 -30.279 31.544 -13.494 1.00 0.00 WAT1 ATOM 2167 H2 TIP3 220 -30.964 30.748 -14.615 1.00 0.00 WAT1 ATOM 2168 OH2 TIP3 221 -32.992 39.426 -2.819 1.00 0.00 WAT1 ATOM 2169 H1 TIP3 221 -33.341 39.785 -3.660 1.00 0.00 WAT1 ATOM 2170 H2 TIP3 221 -32.446 40.145 -2.463 1.00 0.00 WAT1 ATOM 2171 OH2 TIP3 222 -31.633 44.387 -7.143 1.00 0.00 WAT1 ATOM 2172 H1 TIP3 222 -31.552 44.749 -8.057 1.00 0.00 WAT1 ATOM 2173 H2 TIP3 222 -31.373 45.135 -6.570 1.00 0.00 WAT1 ATOM 2174 OH2 TIP3 223 -35.517 45.394 -17.739 1.00 0.00 WAT1 ATOM 2175 H1 TIP3 223 -35.714 44.786 -18.490 1.00 0.00 WAT1 ATOM 2176 H2 TIP3 223 -36.310 45.325 -17.163 1.00 0.00 WAT1 ATOM 2177 OH2 TIP3 224 -31.665 47.297 -17.402 1.00 0.00 WAT1 ATOM 2178 H1 TIP3 224 -31.514 47.673 -18.295 1.00 0.00 WAT1 ATOM 2179 H2 TIP3 224 -32.632 47.365 -17.278 1.00 0.00 WAT1 ATOM 2180 OH2 TIP3 225 -30.268 40.300 -0.448 1.00 0.00 WAT1 ATOM 2181 H1 TIP3 225 -29.573 40.839 -0.034 1.00 0.00 WAT1 ATOM 2182 H2 TIP3 225 -30.597 40.862 -1.190 1.00 0.00 WAT1 ATOM 2183 OH2 TIP3 226 -32.624 37.146 2.876 1.00 0.00 WAT1 ATOM 2184 H1 TIP3 226 -33.522 36.844 2.617 1.00 0.00 WAT1 ATOM 2185 H2 TIP3 226 -32.526 38.012 2.433 1.00 0.00 WAT1 ATOM 2186 OH2 TIP3 227 -32.044 39.534 1.561 1.00 0.00 WAT1 ATOM 2187 H1 TIP3 227 -31.371 39.673 0.864 1.00 0.00 WAT1 ATOM 2188 H2 TIP3 227 -32.902 39.597 1.076 1.00 0.00 WAT1 ATOM 2189 OH2 TIP3 228 -35.233 31.490 -4.771 1.00 0.00 WAT1 ATOM 2190 H1 TIP3 228 -36.114 31.583 -5.213 1.00 0.00 WAT1 ATOM 2191 H2 TIP3 228 -34.738 32.265 -5.067 1.00 0.00 WAT1 ATOM 2192 OH2 TIP3 229 -36.032 37.716 0.380 1.00 0.00 WAT1 ATOM 2193 H1 TIP3 229 -36.869 37.287 0.201 1.00 0.00 WAT1 ATOM 2194 H2 TIP3 229 -35.599 37.130 1.041 1.00 0.00 WAT1 ATOM 2195 OH2 TIP3 230 -29.077 34.619 1.209 1.00 0.00 WAT1 ATOM 2196 H1 TIP3 230 -29.575 35.064 1.927 1.00 0.00 WAT1 ATOM 2197 H2 TIP3 230 -28.749 35.358 0.652 1.00 0.00 WAT1 ATOM 2198 OH2 TIP3 231 -34.709 31.993 3.320 1.00 0.00 WAT1 ATOM 2199 H1 TIP3 231 -34.245 31.187 3.014 1.00 0.00 WAT1 ATOM 2200 H2 TIP3 231 -34.633 32.613 2.561 1.00 0.00 WAT1 ATOM 2201 OH2 TIP3 232 -31.176 33.029 2.235 1.00 0.00 WAT1 ATOM 2202 H1 TIP3 232 -31.121 33.843 2.779 1.00 0.00 WAT1 ATOM 2203 H2 TIP3 232 -30.450 33.125 1.597 1.00 0.00 WAT1 ATOM 2204 OH2 TIP3 233 -38.783 51.348 -12.820 1.00 0.00 WAT1 ATOM 2205 H1 TIP3 233 -39.488 50.815 -13.196 1.00 0.00 WAT1 ATOM 2206 H2 TIP3 233 -38.113 51.387 -13.523 1.00 0.00 WAT1 ATOM 2207 OH2 TIP3 234 -28.697 47.201 -7.648 1.00 0.00 WAT1 ATOM 2208 H1 TIP3 234 -27.975 46.672 -8.046 1.00 0.00 WAT1 ATOM 2209 H2 TIP3 234 -29.209 47.529 -8.424 1.00 0.00 WAT1 ATOM 2210 OH2 TIP3 235 -30.391 46.342 -5.622 1.00 0.00 WAT1 ATOM 2211 H1 TIP3 235 -29.780 46.437 -6.385 1.00 0.00 WAT1 ATOM 2212 H2 TIP3 235 -30.408 47.231 -5.224 1.00 0.00 WAT1 ATOM 2213 OH2 TIP3 236 -29.666 45.051 1.075 1.00 0.00 WAT1 ATOM 2214 H1 TIP3 236 -29.998 44.424 1.751 1.00 0.00 WAT1 ATOM 2215 H2 TIP3 236 -30.100 44.770 0.259 1.00 0.00 WAT1 ATOM 2216 OH2 TIP3 237 -28.253 44.272 -2.948 1.00 0.00 WAT1 ATOM 2217 H1 TIP3 237 -27.929 45.130 -3.248 1.00 0.00 WAT1 ATOM 2218 H2 TIP3 237 -29.079 44.133 -3.459 1.00 0.00 WAT1 ATOM 2219 OH2 TIP3 238 -27.655 34.721 -15.977 1.00 0.00 WAT1 ATOM 2220 H1 TIP3 238 -27.892 34.903 -16.915 1.00 0.00 WAT1 ATOM 2221 H2 TIP3 238 -26.886 34.110 -16.034 1.00 0.00 WAT1 ATOM 2222 OH2 TIP3 239 -27.313 33.352 -13.037 1.00 0.00 WAT1 ATOM 2223 H1 TIP3 239 -26.884 33.336 -13.910 1.00 0.00 WAT1 ATOM 2224 H2 TIP3 239 -27.094 34.240 -12.677 1.00 0.00 WAT1 ATOM 2225 OH2 TIP3 240 -25.960 37.336 -9.763 1.00 0.00 WAT1 ATOM 2226 H1 TIP3 240 -26.455 37.779 -9.052 1.00 0.00 WAT1 ATOM 2227 H2 TIP3 240 -25.546 36.564 -9.320 1.00 0.00 WAT1 ATOM 2228 OH2 TIP3 241 -25.450 33.152 -15.576 1.00 0.00 WAT1 ATOM 2229 H1 TIP3 241 -24.734 33.464 -16.170 1.00 0.00 WAT1 ATOM 2230 H2 TIP3 241 -24.991 32.576 -14.933 1.00 0.00 WAT1 ATOM 2231 OH2 TIP3 242 -32.503 46.807 -14.693 1.00 0.00 WAT1 ATOM 2232 H1 TIP3 242 -33.342 47.154 -15.037 1.00 0.00 WAT1 ATOM 2233 H2 TIP3 242 -31.898 46.861 -15.452 1.00 0.00 WAT1 ATOM 2234 OH2 TIP3 243 -37.546 29.351 -7.434 1.00 0.00 WAT1 ATOM 2235 H1 TIP3 243 -38.054 28.609 -7.772 1.00 0.00 WAT1 ATOM 2236 H2 TIP3 243 -36.638 29.196 -7.778 1.00 0.00 WAT1 ATOM 2237 OH2 TIP3 244 -30.979 27.841 -8.168 1.00 0.00 WAT1 ATOM 2238 H1 TIP3 244 -30.816 27.049 -8.692 1.00 0.00 WAT1 ATOM 2239 H2 TIP3 244 -31.502 27.518 -7.395 1.00 0.00 WAT1 ATOM 2240 OH2 TIP3 245 -28.406 31.347 -8.996 1.00 0.00 WAT1 ATOM 2241 H1 TIP3 245 -29.204 31.808 -9.342 1.00 0.00 WAT1 ATOM 2242 H2 TIP3 245 -27.912 31.094 -9.805 1.00 0.00 WAT1 ATOM 2243 OH2 TIP3 246 -38.838 47.561 -17.323 1.00 0.00 WAT1 ATOM 2244 H1 TIP3 246 -38.051 48.129 -17.185 1.00 0.00 WAT1 ATOM 2245 H2 TIP3 246 -39.337 48.016 -18.013 1.00 0.00 WAT1 ATOM 2246 OH2 TIP3 247 -28.316 47.397 0.417 1.00 0.00 WAT1 ATOM 2247 H1 TIP3 247 -28.714 48.151 0.867 1.00 0.00 WAT1 ATOM 2248 H2 TIP3 247 -28.864 46.632 0.696 1.00 0.00 WAT1 ATOM 2249 OH2 TIP3 248 -28.311 30.391 13.816 1.00 0.00 WAT1 ATOM 2250 H1 TIP3 248 -27.596 31.051 13.695 1.00 0.00 WAT1 ATOM 2251 H2 TIP3 248 -27.872 29.648 14.289 1.00 0.00 WAT1 ATOM 2252 OH2 TIP3 249 -31.122 32.025 11.199 1.00 0.00 WAT1 ATOM 2253 H1 TIP3 249 -30.939 32.937 11.530 1.00 0.00 WAT1 ATOM 2254 H2 TIP3 249 -32.020 31.827 11.536 1.00 0.00 WAT1 ATOM 2255 OH2 TIP3 250 -27.333 34.221 14.928 1.00 0.00 WAT1 ATOM 2256 H1 TIP3 250 -27.716 33.828 15.748 1.00 0.00 WAT1 ATOM 2257 H2 TIP3 250 -26.912 35.059 15.238 1.00 0.00 WAT1 ATOM 2258 OH2 TIP3 251 -30.632 34.561 12.126 1.00 0.00 WAT1 ATOM 2259 H1 TIP3 251 -31.061 35.302 12.562 1.00 0.00 WAT1 ATOM 2260 H2 TIP3 251 -29.673 34.737 12.241 1.00 0.00 WAT1 ATOM 2261 OH2 TIP3 252 -30.041 31.123 15.871 1.00 0.00 WAT1 ATOM 2262 H1 TIP3 252 -30.975 31.285 15.617 1.00 0.00 WAT1 ATOM 2263 H2 TIP3 252 -29.593 30.922 15.023 1.00 0.00 WAT1 ATOM 2264 OH2 TIP3 253 -29.029 34.579 7.266 1.00 0.00 WAT1 ATOM 2265 H1 TIP3 253 -28.426 34.840 7.986 1.00 0.00 WAT1 ATOM 2266 H2 TIP3 253 -28.450 34.482 6.497 1.00 0.00 WAT1 ATOM 2267 OH2 TIP3 254 -30.195 40.218 3.507 1.00 0.00 WAT1 ATOM 2268 H1 TIP3 254 -30.916 39.842 2.953 1.00 0.00 WAT1 ATOM 2269 H2 TIP3 254 -30.278 39.741 4.365 1.00 0.00 WAT1 ATOM 2270 OH2 TIP3 255 -30.984 37.744 8.671 1.00 0.00 WAT1 ATOM 2271 H1 TIP3 255 -30.389 37.306 9.315 1.00 0.00 WAT1 ATOM 2272 H2 TIP3 255 -31.869 37.561 9.002 1.00 0.00 WAT1 ATOM 2273 OH2 TIP3 256 -26.908 44.314 1.223 1.00 0.00 WAT1 ATOM 2274 H1 TIP3 256 -27.704 44.862 1.333 1.00 0.00 WAT1 ATOM 2275 H2 TIP3 256 -27.260 43.426 1.022 1.00 0.00 WAT1 ATOM 2276 OH2 TIP3 257 -30.590 42.751 2.422 1.00 0.00 WAT1 ATOM 2277 H1 TIP3 257 -31.557 42.752 2.396 1.00 0.00 WAT1 ATOM 2278 H2 TIP3 257 -30.369 41.972 2.985 1.00 0.00 WAT1 ATOM 2279 OH2 TIP3 258 -30.579 35.492 3.415 1.00 0.00 WAT1 ATOM 2280 H1 TIP3 258 -30.250 35.843 4.252 1.00 0.00 WAT1 ATOM 2281 H2 TIP3 258 -31.343 36.083 3.190 1.00 0.00 WAT1 ATOM 2282 OH2 TIP3 259 -28.768 39.402 9.222 1.00 0.00 WAT1 ATOM 2283 H1 TIP3 259 -29.698 39.352 8.950 1.00 0.00 WAT1 ATOM 2284 H2 TIP3 259 -28.663 38.650 9.836 1.00 0.00 WAT1 ATOM 2285 OH2 TIP3 260 -28.956 36.898 10.432 1.00 0.00 WAT1 ATOM 2286 H1 TIP3 260 -28.362 36.407 9.831 1.00 0.00 WAT1 ATOM 2287 H2 TIP3 260 -28.774 36.508 11.314 1.00 0.00 WAT1 ATOM 2288 OH2 TIP3 261 -33.803 33.579 1.287 1.00 0.00 WAT1 ATOM 2289 H1 TIP3 261 -33.896 33.618 0.313 1.00 0.00 WAT1 ATOM 2290 H2 TIP3 261 -32.869 33.317 1.427 1.00 0.00 WAT1 ATOM 2291 OH2 TIP3 262 -35.260 31.545 10.790 1.00 0.00 WAT1 ATOM 2292 H1 TIP3 262 -35.961 31.054 11.263 1.00 0.00 WAT1 ATOM 2293 H2 TIP3 262 -34.510 31.556 11.420 1.00 0.00 WAT1 ATOM 2294 OH2 TIP3 263 -35.923 35.185 4.655 1.00 0.00 WAT1 ATOM 2295 H1 TIP3 263 -36.454 35.536 5.395 1.00 0.00 WAT1 ATOM 2296 H2 TIP3 263 -35.641 34.306 4.967 1.00 0.00 WAT1 ATOM 2297 OH2 TIP3 264 -29.195 31.853 9.226 1.00 0.00 WAT1 ATOM 2298 H1 TIP3 264 -28.447 32.348 9.624 1.00 0.00 WAT1 ATOM 2299 H2 TIP3 264 -29.924 31.959 9.871 1.00 0.00 WAT1 ATOM 2300 OH2 TIP3 265 -30.036 38.754 5.927 1.00 0.00 WAT1 ATOM 2301 H1 TIP3 265 -30.539 38.297 6.622 1.00 0.00 WAT1 ATOM 2302 H2 TIP3 265 -29.190 38.957 6.342 1.00 0.00 WAT1 ATOM 2303 OH2 TIP3 266 -37.337 35.372 7.076 1.00 0.00 WAT1 ATOM 2304 H1 TIP3 266 -37.208 34.645 7.717 1.00 0.00 WAT1 ATOM 2305 H2 TIP3 266 -38.219 35.699 7.264 1.00 0.00 WAT1 ATOM 2306 OH2 TIP3 267 -35.457 31.235 8.034 1.00 0.00 WAT1 ATOM 2307 H1 TIP3 267 -35.267 31.174 8.995 1.00 0.00 WAT1 ATOM 2308 H2 TIP3 267 -35.735 30.321 7.784 1.00 0.00 WAT1 ATOM 2309 OH2 TIP3 268 -34.987 35.936 2.165 1.00 0.00 WAT1 ATOM 2310 H1 TIP3 268 -35.385 35.732 3.044 1.00 0.00 WAT1 ATOM 2311 H2 TIP3 268 -34.608 35.081 1.870 1.00 0.00 WAT1 ATOM 2312 OH2 TIP3 269 -27.612 41.984 -1.662 1.00 0.00 WAT1 ATOM 2313 H1 TIP3 269 -27.951 42.130 -0.760 1.00 0.00 WAT1 ATOM 2314 H2 TIP3 269 -27.805 42.830 -2.133 1.00 0.00 WAT1 ATOM 2315 OH2 TIP3 270 -26.596 39.202 7.587 1.00 0.00 WAT1 ATOM 2316 H1 TIP3 270 -27.405 39.491 8.067 1.00 0.00 WAT1 ATOM 2317 H2 TIP3 270 -26.024 38.832 8.295 1.00 0.00 WAT1 ATOM 2318 OH2 TIP3 271 -28.401 41.972 0.960 1.00 0.00 WAT1 ATOM 2319 H1 TIP3 271 -29.152 42.330 1.483 1.00 0.00 WAT1 ATOM 2320 H2 TIP3 271 -27.973 41.324 1.572 1.00 0.00 WAT1 ATOM 2321 OH2 TIP3 272 -27.126 33.484 2.789 1.00 0.00 WAT1 ATOM 2322 H1 TIP3 272 -27.849 33.818 2.223 1.00 0.00 WAT1 ATOM 2323 H2 TIP3 272 -26.324 33.575 2.227 1.00 0.00 WAT1 ATOM 2324 OH2 TIP3 273 -26.217 36.637 6.677 1.00 0.00 WAT1 ATOM 2325 H1 TIP3 273 -26.619 36.166 7.433 1.00 0.00 WAT1 ATOM 2326 H2 TIP3 273 -26.445 37.580 6.833 1.00 0.00 WAT1 ATOM 2327 OH2 TIP3 274 -28.007 35.333 12.523 1.00 0.00 WAT1 ATOM 2328 H1 TIP3 274 -27.096 35.366 12.156 1.00 0.00 WAT1 ATOM 2329 H2 TIP3 274 -27.879 35.001 13.440 1.00 0.00 WAT1 ATOM 2330 OH2 TIP3 275 -28.378 32.951 17.114 1.00 0.00 WAT1 ATOM 2331 H1 TIP3 275 -29.046 32.343 16.742 1.00 0.00 WAT1 ATOM 2332 H2 TIP3 275 -28.039 32.480 17.898 1.00 0.00 WAT1 ATOM 2333 OH2 TIP3 276 -33.297 31.180 12.682 1.00 0.00 WAT1 ATOM 2334 H1 TIP3 276 -33.157 31.464 13.610 1.00 0.00 WAT1 ATOM 2335 H2 TIP3 276 -33.137 30.213 12.703 1.00 0.00 WAT1 ATOM 2336 OH2 TIP3 277 -30.234 29.551 12.043 1.00 0.00 WAT1 ATOM 2337 H1 TIP3 277 -30.528 30.418 11.685 1.00 0.00 WAT1 ATOM 2338 H2 TIP3 277 -29.543 29.788 12.704 1.00 0.00 WAT1 ATOM 2339 OH2 TIP3 278 -37.264 30.055 11.953 1.00 0.00 WAT1 ATOM 2340 H1 TIP3 278 -37.752 30.338 11.142 1.00 0.00 WAT1 ATOM 2341 H2 TIP3 278 -37.903 30.178 12.664 1.00 0.00 WAT1 ATOM 2342 OH2 TIP3 279 -36.208 28.752 7.273 1.00 0.00 WAT1 ATOM 2343 H1 TIP3 279 -37.010 28.233 7.174 1.00 0.00 WAT1 ATOM 2344 H2 TIP3 279 -35.504 28.182 6.896 1.00 0.00 WAT1 ATOM 2345 OH2 TIP3 280 -36.926 33.329 8.979 1.00 0.00 WAT1 ATOM 2346 H1 TIP3 280 -36.409 33.438 9.790 1.00 0.00 WAT1 ATOM 2347 H2 TIP3 280 -36.420 32.663 8.464 1.00 0.00 WAT1 ATOM 2348 OH2 TIP3 281 -31.487 50.592 -42.331 1.00 0.00 WAT1 ATOM 2349 H1 TIP3 281 -31.376 51.571 -42.309 1.00 0.00 WAT1 ATOM 2350 H2 TIP3 281 -30.929 50.304 -43.080 1.00 0.00 WAT1 ATOM 2351 OH2 TIP3 282 -31.164 57.743 -42.641 1.00 0.00 WAT1 ATOM 2352 H1 TIP3 282 -31.285 58.687 -42.515 1.00 0.00 WAT1 ATOM 2353 H2 TIP3 282 -31.203 57.372 -41.734 1.00 0.00 WAT1 ATOM 2354 OH2 TIP3 283 -33.533 55.482 -44.955 1.00 0.00 WAT1 ATOM 2355 H1 TIP3 283 -33.175 56.378 -44.941 1.00 0.00 WAT1 ATOM 2356 H2 TIP3 283 -33.879 55.348 -44.036 1.00 0.00 WAT1 ATOM 2357 OH2 TIP3 284 -29.756 49.867 -40.342 1.00 0.00 WAT1 ATOM 2358 H1 TIP3 284 -30.456 50.096 -40.987 1.00 0.00 WAT1 ATOM 2359 H2 TIP3 284 -30.230 49.469 -39.608 1.00 0.00 WAT1 ATOM 2360 OH2 TIP3 285 -31.138 54.136 -44.715 1.00 0.00 WAT1 ATOM 2361 H1 TIP3 285 -32.003 54.522 -44.962 1.00 0.00 WAT1 ATOM 2362 H2 TIP3 285 -31.177 53.218 -45.060 1.00 0.00 WAT1 ATOM 2363 OH2 TIP3 286 -34.104 50.696 -41.464 1.00 0.00 WAT1 ATOM 2364 H1 TIP3 286 -34.314 49.763 -41.234 1.00 0.00 WAT1 ATOM 2365 H2 TIP3 286 -33.179 50.659 -41.782 1.00 0.00 WAT1 ATOM 2366 OH2 TIP3 287 -35.416 48.536 -43.547 1.00 0.00 WAT1 ATOM 2367 H1 TIP3 287 -35.037 48.323 -42.658 1.00 0.00 WAT1 ATOM 2368 H2 TIP3 287 -36.156 49.149 -43.349 1.00 0.00 WAT1 ATOM 2369 OH2 TIP3 288 -24.499 54.234 -38.979 1.00 0.00 WAT1 ATOM 2370 H1 TIP3 288 -23.998 54.773 -38.342 1.00 0.00 WAT1 ATOM 2371 H2 TIP3 288 -24.383 53.320 -38.656 1.00 0.00 WAT1 ATOM 2372 OH2 TIP3 289 -29.334 55.932 -43.630 1.00 0.00 WAT1 ATOM 2373 H1 TIP3 289 -29.859 55.315 -44.178 1.00 0.00 WAT1 ATOM 2374 H2 TIP3 289 -29.957 56.660 -43.426 1.00 0.00 WAT1 ATOM 2375 OH2 TIP3 290 -37.663 50.133 -43.186 1.00 0.00 WAT1 ATOM 2376 H1 TIP3 290 -38.461 49.868 -43.650 1.00 0.00 WAT1 ATOM 2377 H2 TIP3 290 -37.373 50.952 -43.654 1.00 0.00 WAT1 ATOM 2378 OH2 TIP3 291 -34.687 53.276 -36.917 1.00 0.00 WAT1 ATOM 2379 H1 TIP3 291 -33.749 53.545 -37.044 1.00 0.00 WAT1 ATOM 2380 H2 TIP3 291 -34.964 53.740 -36.105 1.00 0.00 WAT1 ATOM 2381 OH2 TIP3 292 -36.861 52.407 -44.444 1.00 0.00 WAT1 ATOM 2382 H1 TIP3 292 -36.422 53.036 -45.055 1.00 0.00 WAT1 ATOM 2383 H2 TIP3 292 -36.491 52.634 -43.560 1.00 0.00 WAT1 ATOM 2384 OH2 TIP3 293 -34.394 55.141 -42.440 1.00 0.00 WAT1 ATOM 2385 H1 TIP3 293 -33.857 55.079 -41.630 1.00 0.00 WAT1 ATOM 2386 H2 TIP3 293 -35.027 54.396 -42.363 1.00 0.00 WAT1 ATOM 2387 OH2 TIP3 294 -35.728 53.848 -39.390 1.00 0.00 WAT1 ATOM 2388 H1 TIP3 294 -34.901 54.215 -39.742 1.00 0.00 WAT1 ATOM 2389 H2 TIP3 294 -35.488 53.540 -38.491 1.00 0.00 WAT1 ATOM 2390 OH2 TIP3 295 -32.099 53.717 -37.601 1.00 0.00 WAT1 ATOM 2391 H1 TIP3 295 -31.746 54.627 -37.434 1.00 0.00 WAT1 ATOM 2392 H2 TIP3 295 -31.323 53.147 -37.518 1.00 0.00 WAT1 ATOM 2393 OH2 TIP3 296 -32.944 54.348 -40.192 1.00 0.00 WAT1 ATOM 2394 H1 TIP3 296 -32.700 53.986 -39.315 1.00 0.00 WAT1 ATOM 2395 H2 TIP3 296 -32.462 53.775 -40.831 1.00 0.00 WAT1 ATOM 2396 OH2 TIP3 297 -35.632 54.125 -46.166 1.00 0.00 WAT1 ATOM 2397 H1 TIP3 297 -35.843 54.648 -46.945 1.00 0.00 WAT1 ATOM 2398 H2 TIP3 297 -34.856 54.581 -45.772 1.00 0.00 WAT1 ATOM 2399 OH2 TIP3 298 -35.770 52.817 -41.985 1.00 0.00 WAT1 ATOM 2400 H1 TIP3 298 -36.085 53.047 -41.089 1.00 0.00 WAT1 ATOM 2401 H2 TIP3 298 -35.185 52.036 -41.838 1.00 0.00 WAT1 ATOM 2402 OH2 TIP3 299 -30.881 56.083 -37.382 1.00 0.00 WAT1 ATOM 2403 H1 TIP3 299 -29.941 55.920 -37.137 1.00 0.00 WAT1 ATOM 2404 H2 TIP3 299 -30.830 56.495 -38.266 1.00 0.00 WAT1 ATOM 2405 OH2 TIP3 300 -31.120 56.500 -40.161 1.00 0.00 WAT1 ATOM 2406 H1 TIP3 300 -31.889 55.899 -40.137 1.00 0.00 WAT1 ATOM 2407 H2 TIP3 300 -30.380 55.928 -40.469 1.00 0.00 WAT1 ATOM 2408 OH2 TIP3 301 -38.127 50.603 -36.822 1.00 0.00 WAT1 ATOM 2409 H1 TIP3 301 -38.178 51.419 -37.372 1.00 0.00 WAT1 ATOM 2410 H2 TIP3 301 -38.362 49.895 -37.431 1.00 0.00 WAT1 ATOM 2411 OH2 TIP3 302 -36.844 51.210 -34.553 1.00 0.00 WAT1 ATOM 2412 H1 TIP3 302 -35.946 50.957 -34.851 1.00 0.00 WAT1 ATOM 2413 H2 TIP3 302 -37.428 50.930 -35.303 1.00 0.00 WAT1 ATOM 2414 OH2 TIP3 303 -34.517 50.711 -36.017 1.00 0.00 WAT1 ATOM 2415 H1 TIP3 303 -34.585 51.607 -36.414 1.00 0.00 WAT1 ATOM 2416 H2 TIP3 303 -34.335 50.127 -36.780 1.00 0.00 WAT1 ATOM 2417 OH2 TIP3 304 -37.910 50.704 -40.406 1.00 0.00 WAT1 ATOM 2418 H1 TIP3 304 -37.812 50.578 -41.368 1.00 0.00 WAT1 ATOM 2419 H2 TIP3 304 -37.358 49.997 -40.016 1.00 0.00 WAT1 ATOM 2420 OH2 TIP3 305 -38.163 52.707 -38.550 1.00 0.00 WAT1 ATOM 2421 H1 TIP3 305 -37.484 53.331 -38.866 1.00 0.00 WAT1 ATOM 2422 H2 TIP3 305 -38.239 52.051 -39.278 1.00 0.00 WAT1 ATOM 2423 OH2 TIP3 306 -28.391 55.254 -36.736 1.00 0.00 WAT1 ATOM 2424 H1 TIP3 306 -28.307 54.325 -37.044 1.00 0.00 WAT1 ATOM 2425 H2 TIP3 306 -27.469 55.537 -36.576 1.00 0.00 WAT1 ATOM 2426 OH2 TIP3 307 -28.045 52.839 -37.995 1.00 0.00 WAT1 ATOM 2427 H1 TIP3 307 -27.807 53.383 -38.770 1.00 0.00 WAT1 ATOM 2428 H2 TIP3 307 -27.569 51.998 -38.140 1.00 0.00 WAT1 ATOM 2429 OH2 TIP3 308 -31.215 53.289 -42.098 1.00 0.00 WAT1 ATOM 2430 H1 TIP3 308 -30.440 53.734 -41.686 1.00 0.00 WAT1 ATOM 2431 H2 TIP3 308 -31.210 53.616 -43.024 1.00 0.00 WAT1 ATOM 2432 OH2 TIP3 309 -29.222 54.829 -41.136 1.00 0.00 WAT1 ATOM 2433 H1 TIP3 309 -28.361 54.793 -40.655 1.00 0.00 WAT1 ATOM 2434 H2 TIP3 309 -28.991 55.208 -42.016 1.00 0.00 WAT1 ATOM 2435 OH2 TIP3 310 -36.397 48.729 -39.212 1.00 0.00 WAT1 ATOM 2436 H1 TIP3 310 -35.808 48.481 -39.970 1.00 0.00 WAT1 ATOM 2437 H2 TIP3 310 -35.778 48.907 -38.486 1.00 0.00 WAT1 ATOM 2438 OH2 TIP3 311 -31.840 47.072 -43.867 1.00 0.00 WAT1 ATOM 2439 H1 TIP3 311 -32.274 47.793 -44.367 1.00 0.00 WAT1 ATOM 2440 H2 TIP3 311 -30.946 47.011 -44.263 1.00 0.00 WAT1 ATOM 2441 OH2 TIP3 312 -31.303 51.427 -45.394 1.00 0.00 WAT1 ATOM 2442 H1 TIP3 312 -31.322 51.038 -46.276 1.00 0.00 WAT1 ATOM 2443 H2 TIP3 312 -30.609 50.919 -44.922 1.00 0.00 WAT1 ATOM 2444 OH2 TIP3 313 -37.839 52.466 -47.731 1.00 0.00 WAT1 ATOM 2445 H1 TIP3 313 -37.023 52.423 -47.214 1.00 0.00 WAT1 ATOM 2446 H2 TIP3 313 -38.521 52.650 -47.079 1.00 0.00 WAT1 ATOM 2447 OH2 TIP3 314 -36.954 43.922 -32.840 1.00 0.00 WAT1 ATOM 2448 H1 TIP3 314 -36.363 43.349 -33.368 1.00 0.00 WAT1 ATOM 2449 H2 TIP3 314 -37.795 43.913 -33.341 1.00 0.00 WAT1 ATOM 2450 OH2 TIP3 315 -33.740 54.661 -26.583 1.00 0.00 WAT1 ATOM 2451 H1 TIP3 315 -32.846 54.831 -26.209 1.00 0.00 WAT1 ATOM 2452 H2 TIP3 315 -33.620 54.792 -27.559 1.00 0.00 WAT1 ATOM 2453 OH2 TIP3 316 -39.119 59.853 -19.849 1.00 0.00 WAT1 ATOM 2454 H1 TIP3 316 -40.018 59.586 -19.628 1.00 0.00 WAT1 ATOM 2455 H2 TIP3 316 -39.098 60.797 -19.659 1.00 0.00 WAT1 ATOM 2456 OH2 TIP3 317 -34.362 57.600 -20.654 1.00 0.00 WAT1 ATOM 2457 H1 TIP3 317 -35.287 57.937 -20.581 1.00 0.00 WAT1 ATOM 2458 H2 TIP3 317 -34.119 57.781 -21.573 1.00 0.00 WAT1 ATOM 2459 OH2 TIP3 318 -42.219 50.347 -25.659 1.00 0.00 WAT1 ATOM 2460 H1 TIP3 318 -41.376 50.722 -25.320 1.00 0.00 WAT1 ATOM 2461 H2 TIP3 318 -42.900 50.811 -25.164 1.00 0.00 WAT1 ATOM 2462 OH2 TIP3 319 -35.624 55.839 -24.989 1.00 0.00 WAT1 ATOM 2463 H1 TIP3 319 -34.972 55.414 -25.590 1.00 0.00 WAT1 ATOM 2464 H2 TIP3 319 -35.437 55.436 -24.106 1.00 0.00 WAT1 ATOM 2465 OH2 TIP3 320 -39.591 50.937 -22.305 1.00 0.00 WAT1 ATOM 2466 H1 TIP3 320 -39.734 50.793 -23.263 1.00 0.00 WAT1 ATOM 2467 H2 TIP3 320 -39.284 51.864 -22.253 1.00 0.00 WAT1 ATOM 2468 OH2 TIP3 321 -31.414 57.838 -27.962 1.00 0.00 WAT1 ATOM 2469 H1 TIP3 321 -32.118 57.547 -28.585 1.00 0.00 WAT1 ATOM 2470 H2 TIP3 321 -31.860 58.514 -27.400 1.00 0.00 WAT1 ATOM 2471 OH2 TIP3 322 -39.627 50.898 -24.998 1.00 0.00 WAT1 ATOM 2472 H1 TIP3 322 -39.306 49.990 -25.173 1.00 0.00 WAT1 ATOM 2473 H2 TIP3 322 -39.023 51.472 -25.528 1.00 0.00 WAT1 ATOM 2474 OH2 TIP3 323 -28.960 62.886 -22.487 1.00 0.00 WAT1 ATOM 2475 H1 TIP3 323 -28.910 63.842 -22.577 1.00 0.00 WAT1 ATOM 2476 H2 TIP3 323 -28.143 62.649 -21.980 1.00 0.00 WAT1 ATOM 2477 OH2 TIP3 324 -36.973 47.816 -23.872 1.00 0.00 WAT1 ATOM 2478 H1 TIP3 324 -36.281 47.692 -24.569 1.00 0.00 WAT1 ATOM 2479 H2 TIP3 324 -37.806 47.928 -24.381 1.00 0.00 WAT1 ATOM 2480 OH2 TIP3 325 -30.522 58.194 -22.012 1.00 0.00 WAT1 ATOM 2481 H1 TIP3 325 -31.112 57.629 -22.564 1.00 0.00 WAT1 ATOM 2482 H2 TIP3 325 -30.572 59.080 -22.435 1.00 0.00 WAT1 ATOM 2483 OH2 TIP3 326 -35.165 59.173 -29.455 1.00 0.00 WAT1 ATOM 2484 H1 TIP3 326 -35.920 58.588 -29.338 1.00 0.00 WAT1 ATOM 2485 H2 TIP3 326 -34.414 58.562 -29.629 1.00 0.00 WAT1 ATOM 2486 OH2 TIP3 327 -34.527 54.948 -32.834 1.00 0.00 WAT1 ATOM 2487 H1 TIP3 327 -34.343 55.855 -33.111 1.00 0.00 WAT1 ATOM 2488 H2 TIP3 327 -35.154 54.611 -33.509 1.00 0.00 WAT1 ATOM 2489 OH2 TIP3 328 -33.246 57.254 -29.955 1.00 0.00 WAT1 ATOM 2490 H1 TIP3 328 -33.253 56.292 -29.706 1.00 0.00 WAT1 ATOM 2491 H2 TIP3 328 -33.139 57.248 -30.925 1.00 0.00 WAT1 ATOM 2492 OH2 TIP3 329 -36.984 58.390 -20.836 1.00 0.00 WAT1 ATOM 2493 H1 TIP3 329 -37.357 58.210 -21.722 1.00 0.00 WAT1 ATOM 2494 H2 TIP3 329 -37.653 58.964 -20.407 1.00 0.00 WAT1 ATOM 2495 OH2 TIP3 330 -38.305 55.538 -25.024 1.00 0.00 WAT1 ATOM 2496 H1 TIP3 330 -38.604 55.311 -25.928 1.00 0.00 WAT1 ATOM 2497 H2 TIP3 330 -37.330 55.650 -25.116 1.00 0.00 WAT1 ATOM 2498 OH2 TIP3 331 -33.860 57.967 -24.628 1.00 0.00 WAT1 ATOM 2499 H1 TIP3 331 -34.659 57.461 -24.879 1.00 0.00 WAT1 ATOM 2500 H2 TIP3 331 -33.637 58.478 -25.428 1.00 0.00 WAT1 ATOM 2501 OH2 TIP3 332 -32.973 57.717 -32.761 1.00 0.00 WAT1 ATOM 2502 H1 TIP3 332 -33.562 58.353 -33.180 1.00 0.00 WAT1 ATOM 2503 H2 TIP3 332 -32.131 58.225 -32.621 1.00 0.00 WAT1 ATOM 2504 OH2 TIP3 333 -26.842 58.968 -20.656 1.00 0.00 WAT1 ATOM 2505 H1 TIP3 333 -26.121 58.313 -20.752 1.00 0.00 WAT1 ATOM 2506 H2 TIP3 333 -27.113 59.165 -21.575 1.00 0.00 WAT1 ATOM 2507 OH2 TIP3 334 -40.853 48.714 -27.394 1.00 0.00 WAT1 ATOM 2508 H1 TIP3 334 -41.503 48.263 -27.945 1.00 0.00 WAT1 ATOM 2509 H2 TIP3 334 -41.388 49.349 -26.861 1.00 0.00 WAT1 ATOM 2510 OH2 TIP3 335 -30.685 59.095 -32.351 1.00 0.00 WAT1 ATOM 2511 H1 TIP3 335 -30.041 59.592 -32.900 1.00 0.00 WAT1 ATOM 2512 H2 TIP3 335 -30.294 59.105 -31.456 1.00 0.00 WAT1 ATOM 2513 OH2 TIP3 336 -38.059 52.450 -26.564 1.00 0.00 WAT1 ATOM 2514 H1 TIP3 336 -38.506 53.291 -26.790 1.00 0.00 WAT1 ATOM 2515 H2 TIP3 336 -37.560 52.222 -27.376 1.00 0.00 WAT1 ATOM 2516 OH2 TIP3 337 -36.385 52.022 -28.677 1.00 0.00 WAT1 ATOM 2517 H1 TIP3 337 -36.713 51.308 -29.271 1.00 0.00 WAT1 ATOM 2518 H2 TIP3 337 -36.043 52.705 -29.293 1.00 0.00 WAT1 ATOM 2519 OH2 TIP3 338 -33.736 54.931 -20.336 1.00 0.00 WAT1 ATOM 2520 H1 TIP3 338 -33.725 54.726 -19.384 1.00 0.00 WAT1 ATOM 2521 H2 TIP3 338 -33.922 55.893 -20.371 1.00 0.00 WAT1 ATOM 2522 OH2 TIP3 339 -35.709 48.139 -31.477 1.00 0.00 WAT1 ATOM 2523 H1 TIP3 339 -35.866 47.531 -32.212 1.00 0.00 WAT1 ATOM 2524 H2 TIP3 339 -34.748 48.330 -31.524 1.00 0.00 WAT1 ATOM 2525 OH2 TIP3 340 -32.044 56.374 -23.386 1.00 0.00 WAT1 ATOM 2526 H1 TIP3 340 -31.771 55.820 -24.147 1.00 0.00 WAT1 ATOM 2527 H2 TIP3 340 -32.773 56.931 -23.746 1.00 0.00 WAT1 ATOM 2528 OH2 TIP3 341 -35.635 54.205 -30.381 1.00 0.00 WAT1 ATOM 2529 H1 TIP3 341 -35.342 54.409 -31.295 1.00 0.00 WAT1 ATOM 2530 H2 TIP3 341 -34.812 54.303 -29.844 1.00 0.00 WAT1 ATOM 2531 OH2 TIP3 342 -38.363 51.825 -32.337 1.00 0.00 WAT1 ATOM 2532 H1 TIP3 342 -37.714 51.671 -33.060 1.00 0.00 WAT1 ATOM 2533 H2 TIP3 342 -39.220 51.748 -32.769 1.00 0.00 WAT1 ATOM 2534 OH2 TIP3 343 -39.127 54.746 -27.593 1.00 0.00 WAT1 ATOM 2535 H1 TIP3 343 -40.045 54.995 -27.742 1.00 0.00 WAT1 ATOM 2536 H2 TIP3 343 -38.788 54.531 -28.496 1.00 0.00 WAT1 ATOM 2537 OH2 TIP3 344 -32.765 59.758 -26.577 1.00 0.00 WAT1 ATOM 2538 H1 TIP3 344 -32.372 60.393 -25.971 1.00 0.00 WAT1 ATOM 2539 H2 TIP3 344 -33.341 60.308 -27.163 1.00 0.00 WAT1 ATOM 2540 OH2 TIP3 345 -27.621 59.436 -23.305 1.00 0.00 WAT1 ATOM 2541 H1 TIP3 345 -26.886 59.956 -23.700 1.00 0.00 WAT1 ATOM 2542 H2 TIP3 345 -28.407 59.988 -23.450 1.00 0.00 WAT1 ATOM 2543 OH2 TIP3 346 -25.445 60.829 -24.413 1.00 0.00 WAT1 ATOM 2544 H1 TIP3 346 -24.569 60.561 -24.769 1.00 0.00 WAT1 ATOM 2545 H2 TIP3 346 -25.232 61.549 -23.779 1.00 0.00 WAT1 ATOM 2546 OH2 TIP3 347 -26.526 55.890 -26.471 1.00 0.00 WAT1 ATOM 2547 H1 TIP3 347 -27.408 56.170 -26.164 1.00 0.00 WAT1 ATOM 2548 H2 TIP3 347 -26.708 55.448 -27.331 1.00 0.00 WAT1 ATOM 2549 OH2 TIP3 348 -38.379 57.516 -23.124 1.00 0.00 WAT1 ATOM 2550 H1 TIP3 348 -39.090 58.104 -23.400 1.00 0.00 WAT1 ATOM 2551 H2 TIP3 348 -38.331 56.843 -23.843 1.00 0.00 WAT1 ATOM 2552 OH2 TIP3 349 -29.358 56.200 -26.985 1.00 0.00 WAT1 ATOM 2553 H1 TIP3 349 -28.961 55.854 -27.805 1.00 0.00 WAT1 ATOM 2554 H2 TIP3 349 -30.055 56.822 -27.297 1.00 0.00 WAT1 ATOM 2555 OH2 TIP3 350 -35.388 54.763 -22.514 1.00 0.00 WAT1 ATOM 2556 H1 TIP3 350 -36.207 54.920 -22.009 1.00 0.00 WAT1 ATOM 2557 H2 TIP3 350 -34.697 54.664 -21.824 1.00 0.00 WAT1 ATOM 2558 OH2 TIP3 351 -38.368 53.973 -30.118 1.00 0.00 WAT1 ATOM 2559 H1 TIP3 351 -37.407 54.164 -30.170 1.00 0.00 WAT1 ATOM 2560 H2 TIP3 351 -38.511 53.299 -30.803 1.00 0.00 WAT1 ATOM 2561 OH2 TIP3 352 -31.237 54.808 -25.518 1.00 0.00 WAT1 ATOM 2562 H1 TIP3 352 -30.472 55.224 -25.973 1.00 0.00 WAT1 ATOM 2563 H2 TIP3 352 -30.842 54.063 -25.009 1.00 0.00 WAT1 ATOM 2564 OH2 TIP3 353 -29.907 58.405 -19.369 1.00 0.00 WAT1 ATOM 2565 H1 TIP3 353 -30.208 58.363 -20.304 1.00 0.00 WAT1 ATOM 2566 H2 TIP3 353 -29.083 58.913 -19.410 1.00 0.00 WAT1 ATOM 2567 OH2 TIP3 354 -34.317 61.365 -28.104 1.00 0.00 WAT1 ATOM 2568 H1 TIP3 354 -34.734 62.162 -28.441 1.00 0.00 WAT1 ATOM 2569 H2 TIP3 354 -34.685 60.642 -28.668 1.00 0.00 WAT1 ATOM 2570 OH2 TIP3 355 -38.309 53.341 -22.687 1.00 0.00 WAT1 ATOM 2571 H1 TIP3 355 -38.225 54.144 -22.126 1.00 0.00 WAT1 ATOM 2572 H2 TIP3 355 -38.334 53.688 -23.594 1.00 0.00 WAT1 ATOM 2573 OH2 TIP3 356 -36.304 53.919 -34.702 1.00 0.00 WAT1 ATOM 2574 H1 TIP3 356 -37.115 54.201 -35.144 1.00 0.00 WAT1 ATOM 2575 H2 TIP3 356 -36.449 52.963 -34.527 1.00 0.00 WAT1 ATOM 2576 OH2 TIP3 357 -28.816 60.478 -33.900 1.00 0.00 WAT1 ATOM 2577 H1 TIP3 357 -29.076 61.235 -34.435 1.00 0.00 WAT1 ATOM 2578 H2 TIP3 357 -27.987 60.179 -34.297 1.00 0.00 WAT1 ATOM 2579 OH2 TIP3 358 -36.885 51.627 -20.960 1.00 0.00 WAT1 ATOM 2580 H1 TIP3 358 -37.643 51.164 -20.553 1.00 0.00 WAT1 ATOM 2581 H2 TIP3 358 -37.297 52.287 -21.556 1.00 0.00 WAT1 ATOM 2582 OH2 TIP3 359 -39.354 48.171 -25.144 1.00 0.00 WAT1 ATOM 2583 H1 TIP3 359 -39.725 48.182 -26.052 1.00 0.00 WAT1 ATOM 2584 H2 TIP3 359 -40.053 47.780 -24.608 1.00 0.00 WAT1 ATOM 2585 OH2 TIP3 360 -37.760 55.602 -21.285 1.00 0.00 WAT1 ATOM 2586 H1 TIP3 360 -37.499 56.101 -20.498 1.00 0.00 WAT1 ATOM 2587 H2 TIP3 360 -38.047 56.294 -21.920 1.00 0.00 WAT1 ATOM 2588 OH2 TIP3 361 -32.988 52.604 -15.419 1.00 0.00 WAT1 ATOM 2589 H1 TIP3 361 -33.824 53.017 -15.685 1.00 0.00 WAT1 ATOM 2590 H2 TIP3 361 -32.991 51.741 -15.893 1.00 0.00 WAT1 ATOM 2591 OH2 TIP3 362 -31.016 54.947 -21.094 1.00 0.00 WAT1 ATOM 2592 H1 TIP3 362 -31.252 55.359 -21.944 1.00 0.00 WAT1 ATOM 2593 H2 TIP3 362 -31.865 54.884 -20.621 1.00 0.00 WAT1 ATOM 2594 OH2 TIP3 363 -38.596 49.504 -20.239 1.00 0.00 WAT1 ATOM 2595 H1 TIP3 363 -39.167 49.931 -20.920 1.00 0.00 WAT1 ATOM 2596 H2 TIP3 363 -38.253 48.719 -20.678 1.00 0.00 WAT1 ATOM 2597 OH2 TIP3 364 -34.778 51.233 -19.195 1.00 0.00 WAT1 ATOM 2598 H1 TIP3 364 -35.457 51.492 -19.857 1.00 0.00 WAT1 ATOM 2599 H2 TIP3 364 -34.252 50.544 -19.651 1.00 0.00 WAT1 ATOM 2600 OH2 TIP3 365 -36.667 49.248 -17.147 1.00 0.00 WAT1 ATOM 2601 H1 TIP3 365 -36.743 49.949 -16.456 1.00 0.00 WAT1 ATOM 2602 H2 TIP3 365 -36.766 49.729 -17.982 1.00 0.00 WAT1 ATOM 2603 OH2 TIP3 366 -36.736 51.384 -15.439 1.00 0.00 WAT1 ATOM 2604 H1 TIP3 366 -36.270 51.437 -14.574 1.00 0.00 WAT1 ATOM 2605 H2 TIP3 366 -36.296 52.067 -15.991 1.00 0.00 WAT1 ATOM 2606 OH2 TIP3 367 -25.614 60.882 -19.249 1.00 0.00 WAT1 ATOM 2607 H1 TIP3 367 -24.701 60.671 -19.537 1.00 0.00 WAT1 ATOM 2608 H2 TIP3 367 -26.168 60.192 -19.686 1.00 0.00 WAT1 ATOM 2609 OH2 TIP3 368 -31.603 55.304 -32.943 1.00 0.00 WAT1 ATOM 2610 H1 TIP3 368 -32.052 56.173 -32.940 1.00 0.00 WAT1 ATOM 2611 H2 TIP3 368 -32.319 54.671 -32.778 1.00 0.00 WAT1 ATOM 2612 OH2 TIP3 369 -29.675 58.923 -29.753 1.00 0.00 WAT1 ATOM 2613 H1 TIP3 369 -29.383 59.726 -29.309 1.00 0.00 WAT1 ATOM 2614 H2 TIP3 369 -30.319 58.519 -29.123 1.00 0.00 WAT1 ATOM 2615 OH2 TIP3 370 -26.147 60.105 -26.991 1.00 0.00 WAT1 ATOM 2616 H1 TIP3 370 -26.350 60.951 -27.398 1.00 0.00 WAT1 ATOM 2617 H2 TIP3 370 -25.996 60.321 -26.047 1.00 0.00 WAT1 ATOM 2618 OH2 TIP3 371 -30.532 60.758 -22.940 1.00 0.00 WAT1 ATOM 2619 H1 TIP3 371 -29.926 61.519 -22.762 1.00 0.00 WAT1 ATOM 2620 H2 TIP3 371 -31.412 61.136 -22.850 1.00 0.00 WAT1 ATOM 2621 OH2 TIP3 372 -29.046 56.166 -33.388 1.00 0.00 WAT1 ATOM 2622 H1 TIP3 372 -29.173 56.444 -34.308 1.00 0.00 WAT1 ATOM 2623 H2 TIP3 372 -29.920 55.782 -33.134 1.00 0.00 WAT1 ATOM 2624 OH2 TIP3 373 -33.893 50.006 -28.494 1.00 0.00 WAT1 ATOM 2625 H1 TIP3 373 -33.761 50.870 -28.971 1.00 0.00 WAT1 ATOM 2626 H2 TIP3 373 -34.517 49.524 -29.047 1.00 0.00 WAT1 ATOM 2627 OH2 TIP3 374 -30.072 54.581 -11.366 1.00 0.00 WAT1 ATOM 2628 H1 TIP3 374 -29.096 54.644 -11.344 1.00 0.00 WAT1 ATOM 2629 H2 TIP3 374 -30.367 55.238 -10.721 1.00 0.00 WAT1 ATOM 2630 OH2 TIP3 375 -37.560 57.610 -11.517 1.00 0.00 WAT1 ATOM 2631 H1 TIP3 375 -37.956 58.445 -11.243 1.00 0.00 WAT1 ATOM 2632 H2 TIP3 375 -36.956 57.853 -12.227 1.00 0.00 WAT1 ATOM 2633 OH2 TIP3 376 -30.784 53.834 -17.920 1.00 0.00 WAT1 ATOM 2634 H1 TIP3 376 -30.246 54.543 -18.339 1.00 0.00 WAT1 ATOM 2635 H2 TIP3 376 -30.469 53.814 -16.994 1.00 0.00 WAT1 ATOM 2636 OH2 TIP3 377 -31.035 58.465 -10.901 1.00 0.00 WAT1 ATOM 2637 H1 TIP3 377 -31.627 59.205 -10.747 1.00 0.00 WAT1 ATOM 2638 H2 TIP3 377 -31.626 57.676 -10.881 1.00 0.00 WAT1 ATOM 2639 OH2 TIP3 378 -33.983 55.659 -15.022 1.00 0.00 WAT1 ATOM 2640 H1 TIP3 378 -33.623 55.343 -15.876 1.00 0.00 WAT1 ATOM 2641 H2 TIP3 378 -34.574 56.374 -15.267 1.00 0.00 WAT1 ATOM 2642 OH2 TIP3 379 -33.259 54.934 -17.585 1.00 0.00 WAT1 ATOM 2643 H1 TIP3 379 -32.437 54.391 -17.666 1.00 0.00 WAT1 ATOM 2644 H2 TIP3 379 -32.976 55.840 -17.868 1.00 0.00 WAT1 ATOM 2645 OH2 TIP3 380 -33.461 50.327 -16.891 1.00 0.00 WAT1 ATOM 2646 H1 TIP3 380 -33.721 49.397 -16.766 1.00 0.00 WAT1 ATOM 2647 H2 TIP3 380 -33.967 50.614 -17.675 1.00 0.00 WAT1 ATOM 2648 OH2 TIP3 381 -37.778 55.054 -10.571 1.00 0.00 WAT1 ATOM 2649 H1 TIP3 381 -38.572 55.102 -10.029 1.00 0.00 WAT1 ATOM 2650 H2 TIP3 381 -37.705 55.952 -10.970 1.00 0.00 WAT1 ATOM 2651 OH2 TIP3 382 -37.331 52.313 -10.710 1.00 0.00 WAT1 ATOM 2652 H1 TIP3 382 -37.534 53.272 -10.707 1.00 0.00 WAT1 ATOM 2653 H2 TIP3 382 -38.028 51.922 -11.286 1.00 0.00 WAT1 ATOM 2654 OH2 TIP3 383 -33.804 50.413 -7.787 1.00 0.00 WAT1 ATOM 2655 H1 TIP3 383 -34.340 49.980 -7.115 1.00 0.00 WAT1 ATOM 2656 H2 TIP3 383 -32.875 50.263 -7.484 1.00 0.00 WAT1 ATOM 2657 OH2 TIP3 384 -34.974 54.811 -10.726 1.00 0.00 WAT1 ATOM 2658 H1 TIP3 384 -34.880 54.100 -10.054 1.00 0.00 WAT1 ATOM 2659 H2 TIP3 384 -35.936 54.983 -10.753 1.00 0.00 WAT1 ATOM 2660 OH2 TIP3 385 -29.564 54.336 -15.442 1.00 0.00 WAT1 ATOM 2661 H1 TIP3 385 -28.715 54.412 -15.926 1.00 0.00 WAT1 ATOM 2662 H2 TIP3 385 -29.599 55.157 -14.894 1.00 0.00 WAT1 ATOM 2663 OH2 TIP3 386 -34.966 52.519 -9.249 1.00 0.00 WAT1 ATOM 2664 H1 TIP3 386 -34.688 51.821 -8.617 1.00 0.00 WAT1 ATOM 2665 H2 TIP3 386 -35.873 52.254 -9.519 1.00 0.00 WAT1 ATOM 2666 OH2 TIP3 387 -33.503 51.913 -11.408 1.00 0.00 WAT1 ATOM 2667 H1 TIP3 387 -33.353 52.750 -11.893 1.00 0.00 WAT1 ATOM 2668 H2 TIP3 387 -33.933 52.196 -10.570 1.00 0.00 WAT1 ATOM 2669 OH2 TIP3 388 -33.238 54.305 -12.810 1.00 0.00 WAT1 ATOM 2670 H1 TIP3 388 -33.460 54.752 -13.665 1.00 0.00 WAT1 ATOM 2671 H2 TIP3 388 -33.987 54.537 -12.220 1.00 0.00 WAT1 ATOM 2672 OH2 TIP3 389 -32.478 57.305 -18.625 1.00 0.00 WAT1 ATOM 2673 H1 TIP3 389 -31.645 57.778 -18.813 1.00 0.00 WAT1 ATOM 2674 H2 TIP3 389 -33.081 57.582 -19.346 1.00 0.00 WAT1 ATOM 2675 OH2 TIP3 390 -28.563 57.438 -11.257 1.00 0.00 WAT1 ATOM 2676 H1 TIP3 390 -29.469 57.808 -11.113 1.00 0.00 WAT1 ATOM 2677 H2 TIP3 390 -27.974 58.166 -11.024 1.00 0.00 WAT1 ATOM 2678 OH2 TIP3 391 -29.337 56.537 -13.855 1.00 0.00 WAT1 ATOM 2679 H1 TIP3 391 -29.166 57.405 -14.275 1.00 0.00 WAT1 ATOM 2680 H2 TIP3 391 -29.124 56.684 -12.916 1.00 0.00 WAT1 ATOM 2681 OH2 TIP3 392 -32.588 56.248 -10.910 1.00 0.00 WAT1 ATOM 2682 H1 TIP3 392 -33.460 55.949 -10.585 1.00 0.00 WAT1 ATOM 2683 H2 TIP3 392 -32.384 55.629 -11.634 1.00 0.00 WAT1 ATOM 2684 OH2 TIP3 393 -32.423 49.655 -10.144 1.00 0.00 WAT1 ATOM 2685 H1 TIP3 393 -32.746 50.317 -10.783 1.00 0.00 WAT1 ATOM 2686 H2 TIP3 393 -32.956 49.820 -9.344 1.00 0.00 WAT1 ATOM 2687 OH2 TIP3 394 -34.628 53.748 -1.103 1.00 0.00 WAT1 ATOM 2688 H1 TIP3 394 -34.593 54.080 -0.206 1.00 0.00 WAT1 ATOM 2689 H2 TIP3 394 -35.022 54.460 -1.607 1.00 0.00 WAT1 ATOM 2690 OH2 TIP3 395 -31.204 45.437 -9.666 1.00 0.00 WAT1 ATOM 2691 H1 TIP3 395 -31.634 45.356 -10.544 1.00 0.00 WAT1 ATOM 2692 H2 TIP3 395 -30.847 46.348 -9.663 1.00 0.00 WAT1 ATOM 2693 OH2 TIP3 396 -28.173 48.848 -11.363 1.00 0.00 WAT1 ATOM 2694 H1 TIP3 396 -27.582 48.472 -12.042 1.00 0.00 WAT1 ATOM 2695 H2 TIP3 396 -27.559 49.219 -10.690 1.00 0.00 WAT1 ATOM 2696 OH2 TIP3 397 -30.235 48.070 -9.739 1.00 0.00 WAT1 ATOM 2697 H1 TIP3 397 -31.039 48.585 -9.989 1.00 0.00 WAT1 ATOM 2698 H2 TIP3 397 -29.569 48.316 -10.429 1.00 0.00 WAT1 ATOM 2699 OH2 TIP3 398 -35.271 53.042 -17.153 1.00 0.00 WAT1 ATOM 2700 H1 TIP3 398 -35.132 52.423 -17.901 1.00 0.00 WAT1 ATOM 2701 H2 TIP3 398 -34.729 53.821 -17.385 1.00 0.00 WAT1 ATOM 2702 OH2 TIP3 399 -22.731 10.174 -13.602 1.00 0.00 WAT1 ATOM 2703 H1 TIP3 399 -23.032 9.459 -14.168 1.00 0.00 WAT1 ATOM 2704 H2 TIP3 399 -22.535 9.734 -12.744 1.00 0.00 WAT1 ATOM 2705 OH2 TIP3 400 -19.439 6.798 -1.805 1.00 0.00 WAT1 ATOM 2706 H1 TIP3 400 -19.145 6.216 -2.511 1.00 0.00 WAT1 ATOM 2707 H2 TIP3 400 -20.025 7.444 -2.253 1.00 0.00 WAT1 ATOM 2708 OH2 TIP3 401 -14.808 12.266 -4.967 1.00 0.00 WAT1 ATOM 2709 H1 TIP3 401 -15.024 11.471 -4.432 1.00 0.00 WAT1 ATOM 2710 H2 TIP3 401 -13.957 12.044 -5.398 1.00 0.00 WAT1 ATOM 2711 OH2 TIP3 402 -13.021 10.904 -8.811 1.00 0.00 WAT1 ATOM 2712 H1 TIP3 402 -13.988 10.839 -8.941 1.00 0.00 WAT1 ATOM 2713 H2 TIP3 402 -12.765 11.719 -9.304 1.00 0.00 WAT1 ATOM 2714 OH2 TIP3 403 -19.268 10.294 -5.923 1.00 0.00 WAT1 ATOM 2715 H1 TIP3 403 -18.656 9.804 -6.502 1.00 0.00 WAT1 ATOM 2716 H2 TIP3 403 -19.664 10.965 -6.514 1.00 0.00 WAT1 ATOM 2717 OH2 TIP3 404 -15.362 10.170 -3.266 1.00 0.00 WAT1 ATOM 2718 H1 TIP3 404 -15.030 10.254 -2.345 1.00 0.00 WAT1 ATOM 2719 H2 TIP3 404 -16.309 9.945 -3.159 1.00 0.00 WAT1 ATOM 2720 OH2 TIP3 405 -18.667 6.849 0.782 1.00 0.00 WAT1 ATOM 2721 H1 TIP3 405 -18.984 6.618 -0.123 1.00 0.00 WAT1 ATOM 2722 H2 TIP3 405 -18.014 6.138 0.999 1.00 0.00 WAT1 ATOM 2723 OH2 TIP3 406 -13.981 9.822 -11.432 1.00 0.00 WAT1 ATOM 2724 H1 TIP3 406 -13.163 9.900 -10.916 1.00 0.00 WAT1 ATOM 2725 H2 TIP3 406 -14.691 9.843 -10.756 1.00 0.00 WAT1 ATOM 2726 OH2 TIP3 407 -20.009 8.612 2.293 1.00 0.00 WAT1 ATOM 2727 H1 TIP3 407 -20.217 9.307 1.660 1.00 0.00 WAT1 ATOM 2728 H2 TIP3 407 -19.539 7.926 1.753 1.00 0.00 WAT1 ATOM 2729 OH2 TIP3 408 -10.957 9.553 0.997 1.00 0.00 WAT1 ATOM 2730 H1 TIP3 408 -10.117 10.070 1.005 1.00 0.00 WAT1 ATOM 2731 H2 TIP3 408 -11.333 9.734 0.131 1.00 0.00 WAT1 ATOM 2732 OH2 TIP3 409 -16.783 8.644 -0.285 1.00 0.00 WAT1 ATOM 2733 H1 TIP3 409 -17.055 8.766 -1.203 1.00 0.00 WAT1 ATOM 2734 H2 TIP3 409 -17.478 8.076 0.096 1.00 0.00 WAT1 ATOM 2735 OH2 TIP3 410 -17.043 12.499 -10.660 1.00 0.00 WAT1 ATOM 2736 H1 TIP3 410 -18.009 12.635 -10.561 1.00 0.00 WAT1 ATOM 2737 H2 TIP3 410 -16.642 13.275 -10.203 1.00 0.00 WAT1 ATOM 2738 OH2 TIP3 411 -13.150 11.126 -14.903 1.00 0.00 WAT1 ATOM 2739 H1 TIP3 411 -13.416 10.212 -14.653 1.00 0.00 WAT1 ATOM 2740 H2 TIP3 411 -12.788 11.032 -15.787 1.00 0.00 WAT1 ATOM 2741 OH2 TIP3 412 -14.808 8.462 1.630 1.00 0.00 WAT1 ATOM 2742 H1 TIP3 412 -15.468 8.522 0.905 1.00 0.00 WAT1 ATOM 2743 H2 TIP3 412 -15.239 7.890 2.293 1.00 0.00 WAT1 ATOM 2744 OH2 TIP3 413 -18.296 9.626 -8.517 1.00 0.00 WAT1 ATOM 2745 H1 TIP3 413 -18.958 10.347 -8.447 1.00 0.00 WAT1 ATOM 2746 H2 TIP3 413 -18.441 9.260 -9.409 1.00 0.00 WAT1 ATOM 2747 OH2 TIP3 414 -15.737 10.466 -9.418 1.00 0.00 WAT1 ATOM 2748 H1 TIP3 414 -16.147 11.234 -9.874 1.00 0.00 WAT1 ATOM 2749 H2 TIP3 414 -16.485 10.038 -8.956 1.00 0.00 WAT1 ATOM 2750 OH2 TIP3 415 -20.944 8.749 -3.062 1.00 0.00 WAT1 ATOM 2751 H1 TIP3 415 -21.205 8.754 -4.008 1.00 0.00 WAT1 ATOM 2752 H2 TIP3 415 -21.749 9.017 -2.597 1.00 0.00 WAT1 ATOM 2753 OH2 TIP3 416 -14.251 10.567 -0.699 1.00 0.00 WAT1 ATOM 2754 H1 TIP3 416 -14.381 9.963 0.053 1.00 0.00 WAT1 ATOM 2755 H2 TIP3 416 -14.520 11.447 -0.348 1.00 0.00 WAT1 ATOM 2756 OH2 TIP3 417 -21.514 9.057 -8.502 1.00 0.00 WAT1 ATOM 2757 H1 TIP3 417 -21.178 9.985 -8.507 1.00 0.00 WAT1 ATOM 2758 H2 TIP3 417 -20.735 8.523 -8.701 1.00 0.00 WAT1 ATOM 2759 OH2 TIP3 418 -17.118 2.253 -10.095 1.00 0.00 WAT1 ATOM 2760 H1 TIP3 418 -17.343 1.479 -10.611 1.00 0.00 WAT1 ATOM 2761 H2 TIP3 418 -16.891 1.907 -9.231 1.00 0.00 WAT1 ATOM 2762 OH2 TIP3 419 -14.113 8.759 -13.947 1.00 0.00 WAT1 ATOM 2763 H1 TIP3 419 -14.416 7.850 -13.866 1.00 0.00 WAT1 ATOM 2764 H2 TIP3 419 -14.038 9.071 -13.018 1.00 0.00 WAT1 ATOM 2765 OH2 TIP3 420 -17.619 10.833 -12.760 1.00 0.00 WAT1 ATOM 2766 H1 TIP3 420 -16.908 10.702 -13.401 1.00 0.00 WAT1 ATOM 2767 H2 TIP3 420 -17.237 11.460 -12.105 1.00 0.00 WAT1 ATOM 2768 OH2 TIP3 421 -13.613 13.227 -2.667 1.00 0.00 WAT1 ATOM 2769 H1 TIP3 421 -14.059 13.092 -3.527 1.00 0.00 WAT1 ATOM 2770 H2 TIP3 421 -12.975 12.491 -2.610 1.00 0.00 WAT1 ATOM 2771 OH2 TIP3 422 -22.579 12.054 -6.813 1.00 0.00 WAT1 ATOM 2772 H1 TIP3 422 -23.290 11.798 -7.439 1.00 0.00 WAT1 ATOM 2773 H2 TIP3 422 -21.750 11.917 -7.328 1.00 0.00 WAT1 ATOM 2774 OH2 TIP3 423 -22.763 10.975 3.584 1.00 0.00 WAT1 ATOM 2775 H1 TIP3 423 -23.301 10.440 2.991 1.00 0.00 WAT1 ATOM 2776 H2 TIP3 423 -22.598 10.386 4.356 1.00 0.00 WAT1 ATOM 2777 OH2 TIP3 424 -21.052 7.197 4.394 1.00 0.00 WAT1 ATOM 2778 H1 TIP3 424 -20.731 7.674 3.600 1.00 0.00 WAT1 ATOM 2779 H2 TIP3 424 -20.786 6.284 4.246 1.00 0.00 WAT1 ATOM 2780 OH2 TIP3 425 -16.150 6.985 3.612 1.00 0.00 WAT1 ATOM 2781 H1 TIP3 425 -15.634 7.002 4.449 1.00 0.00 WAT1 ATOM 2782 H2 TIP3 425 -16.858 7.649 3.759 1.00 0.00 WAT1 ATOM 2783 OH2 TIP3 426 -16.609 13.630 -14.560 1.00 0.00 WAT1 ATOM 2784 H1 TIP3 426 -16.092 14.402 -14.824 1.00 0.00 WAT1 ATOM 2785 H2 TIP3 426 -16.018 13.141 -13.956 1.00 0.00 WAT1 ATOM 2786 OH2 TIP3 427 -24.580 11.321 -8.583 1.00 0.00 WAT1 ATOM 2787 H1 TIP3 427 -24.337 10.810 -9.369 1.00 0.00 WAT1 ATOM 2788 H2 TIP3 427 -25.399 10.911 -8.275 1.00 0.00 WAT1 ATOM 2789 OH2 TIP3 428 -24.370 12.537 -4.816 1.00 0.00 WAT1 ATOM 2790 H1 TIP3 428 -23.706 12.416 -5.529 1.00 0.00 WAT1 ATOM 2791 H2 TIP3 428 -23.846 12.833 -4.044 1.00 0.00 WAT1 ATOM 2792 OH2 TIP3 429 -12.798 9.687 -4.351 1.00 0.00 WAT1 ATOM 2793 H1 TIP3 429 -12.790 9.862 -5.300 1.00 0.00 WAT1 ATOM 2794 H2 TIP3 429 -13.742 9.568 -4.134 1.00 0.00 WAT1 ATOM 2795 OH2 TIP3 430 -10.618 12.669 -4.042 1.00 0.00 WAT1 ATOM 2796 H1 TIP3 430 -11.101 12.293 -4.802 1.00 0.00 WAT1 ATOM 2797 H2 TIP3 430 -10.911 12.124 -3.280 1.00 0.00 WAT1 ATOM 2798 OH2 TIP3 431 -11.976 11.067 -2.177 1.00 0.00 WAT1 ATOM 2799 H1 TIP3 431 -12.666 10.828 -1.520 1.00 0.00 WAT1 ATOM 2800 H2 TIP3 431 -12.088 10.400 -2.892 1.00 0.00 WAT1 ATOM 2801 OH2 TIP3 432 -18.190 9.637 -3.227 1.00 0.00 WAT1 ATOM 2802 H1 TIP3 432 -19.058 9.352 -2.891 1.00 0.00 WAT1 ATOM 2803 H2 TIP3 432 -18.382 9.964 -4.123 1.00 0.00 WAT1 ATOM 2804 OH2 TIP3 433 -22.813 13.320 -2.593 1.00 0.00 WAT1 ATOM 2805 H1 TIP3 433 -23.608 13.154 -2.030 1.00 0.00 WAT1 ATOM 2806 H2 TIP3 433 -22.162 13.683 -1.978 1.00 0.00 WAT1 ATOM 2807 OH2 TIP3 434 -21.316 13.480 -4.819 1.00 0.00 WAT1 ATOM 2808 H1 TIP3 434 -21.829 13.313 -4.000 1.00 0.00 WAT1 ATOM 2809 H2 TIP3 434 -21.762 12.936 -5.498 1.00 0.00 WAT1 ATOM 2810 OH2 TIP3 435 -14.735 13.231 -0.183 1.00 0.00 WAT1 ATOM 2811 H1 TIP3 435 -14.444 13.286 -1.119 1.00 0.00 WAT1 ATOM 2812 H2 TIP3 435 -14.355 14.017 0.227 1.00 0.00 WAT1 ATOM 2813 OH2 TIP3 436 -21.769 9.148 -5.660 1.00 0.00 WAT1 ATOM 2814 H1 TIP3 436 -21.951 8.934 -6.596 1.00 0.00 WAT1 ATOM 2815 H2 TIP3 436 -20.900 9.596 -5.684 1.00 0.00 WAT1 ATOM 2816 OH2 TIP3 437 -22.066 8.898 -11.288 1.00 0.00 WAT1 ATOM 2817 H1 TIP3 437 -21.108 9.102 -11.343 1.00 0.00 WAT1 ATOM 2818 H2 TIP3 437 -22.224 8.768 -10.340 1.00 0.00 WAT1 ATOM 2819 OH2 TIP3 438 -14.760 12.130 -12.996 1.00 0.00 WAT1 ATOM 2820 H1 TIP3 438 -14.140 11.979 -13.749 1.00 0.00 WAT1 ATOM 2821 H2 TIP3 438 -14.552 11.408 -12.374 1.00 0.00 WAT1 ATOM 2822 OH2 TIP3 439 -19.189 12.859 -13.903 1.00 0.00 WAT1 ATOM 2823 H1 TIP3 439 -18.386 13.262 -14.305 1.00 0.00 WAT1 ATOM 2824 H2 TIP3 439 -18.862 12.025 -13.514 1.00 0.00 WAT1 ATOM 2825 OH2 TIP3 440 -12.390 8.642 3.119 1.00 0.00 WAT1 ATOM 2826 H1 TIP3 440 -13.198 8.454 2.594 1.00 0.00 WAT1 ATOM 2827 H2 TIP3 440 -11.740 8.954 2.444 1.00 0.00 WAT1 ATOM 2828 OH2 TIP3 441 -12.188 4.161 12.763 1.00 0.00 WAT1 ATOM 2829 H1 TIP3 441 -12.965 4.054 13.352 1.00 0.00 WAT1 ATOM 2830 H2 TIP3 441 -12.135 3.304 12.282 1.00 0.00 WAT1 ATOM 2831 OH2 TIP3 442 -12.144 1.781 11.402 1.00 0.00 WAT1 ATOM 2832 H1 TIP3 442 -12.070 0.861 11.675 1.00 0.00 WAT1 ATOM 2833 H2 TIP3 442 -12.203 1.741 10.442 1.00 0.00 WAT1 ATOM 2834 OH2 TIP3 443 -16.528 8.619 11.047 1.00 0.00 WAT1 ATOM 2835 H1 TIP3 443 -16.226 9.552 11.113 1.00 0.00 WAT1 ATOM 2836 H2 TIP3 443 -17.051 8.480 11.855 1.00 0.00 WAT1 ATOM 2837 OH2 TIP3 444 -16.181 0.503 18.647 1.00 0.00 WAT1 ATOM 2838 H1 TIP3 444 -16.477 -0.376 18.392 1.00 0.00 WAT1 ATOM 2839 H2 TIP3 444 -16.158 0.478 19.607 1.00 0.00 WAT1 ATOM 2840 OH2 TIP3 445 -14.162 7.299 10.717 1.00 0.00 WAT1 ATOM 2841 H1 TIP3 445 -15.110 7.555 10.716 1.00 0.00 WAT1 ATOM 2842 H2 TIP3 445 -13.720 8.038 10.242 1.00 0.00 WAT1 ATOM 2843 OH2 TIP3 446 -11.834 6.833 12.189 1.00 0.00 WAT1 ATOM 2844 H1 TIP3 446 -12.642 7.063 11.692 1.00 0.00 WAT1 ATOM 2845 H2 TIP3 446 -11.961 5.890 12.429 1.00 0.00 WAT1 ATOM 2846 OH2 TIP3 447 -10.105 5.406 15.110 1.00 0.00 WAT1 ATOM 2847 H1 TIP3 447 -9.714 4.958 14.334 1.00 0.00 WAT1 ATOM 2848 H2 TIP3 447 -11.043 5.143 15.090 1.00 0.00 WAT1 ATOM 2849 OH2 TIP3 448 -5.865 0.159 16.408 1.00 0.00 WAT1 ATOM 2850 H1 TIP3 448 -5.051 0.595 16.080 1.00 0.00 WAT1 ATOM 2851 H2 TIP3 448 -6.048 -0.523 15.739 1.00 0.00 WAT1 ATOM 2852 OH2 TIP3 449 -14.700 6.440 13.202 1.00 0.00 WAT1 ATOM 2853 H1 TIP3 449 -14.774 5.470 13.352 1.00 0.00 WAT1 ATOM 2854 H2 TIP3 449 -14.551 6.523 12.232 1.00 0.00 WAT1 ATOM 2855 OH2 TIP3 450 -16.067 9.129 8.161 1.00 0.00 WAT1 ATOM 2856 H1 TIP3 450 -16.410 8.819 9.018 1.00 0.00 WAT1 ATOM 2857 H2 TIP3 450 -16.753 9.748 7.839 1.00 0.00 WAT1 ATOM 2858 OH2 TIP3 451 -18.806 5.500 14.747 1.00 0.00 WAT1 ATOM 2859 H1 TIP3 451 -18.123 6.157 14.493 1.00 0.00 WAT1 ATOM 2860 H2 TIP3 451 -19.601 5.807 14.308 1.00 0.00 WAT1 ATOM 2861 OH2 TIP3 452 -17.868 10.981 7.101 1.00 0.00 WAT1 ATOM 2862 H1 TIP3 452 -17.221 11.129 6.375 1.00 0.00 WAT1 ATOM 2863 H2 TIP3 452 -18.739 10.961 6.641 1.00 0.00 WAT1 ATOM 2864 OH2 TIP3 453 -23.203 8.960 10.884 1.00 0.00 WAT1 ATOM 2865 H1 TIP3 453 -22.664 9.656 11.287 1.00 0.00 WAT1 ATOM 2866 H2 TIP3 453 -23.390 8.355 11.610 1.00 0.00 WAT1 ATOM 2867 OH2 TIP3 454 -11.776 10.794 6.764 1.00 0.00 WAT1 ATOM 2868 H1 TIP3 454 -11.367 10.988 7.635 1.00 0.00 WAT1 ATOM 2869 H2 TIP3 454 -11.390 9.930 6.508 1.00 0.00 WAT1 ATOM 2870 OH2 TIP3 455 -13.681 9.733 9.660 1.00 0.00 WAT1 ATOM 2871 H1 TIP3 455 -14.235 9.639 8.863 1.00 0.00 WAT1 ATOM 2872 H2 TIP3 455 -14.202 10.330 10.242 1.00 0.00 WAT1 ATOM 2873 OH2 TIP3 456 -10.562 13.170 18.179 1.00 0.00 WAT1 ATOM 2874 H1 TIP3 456 -10.530 13.674 17.343 1.00 0.00 WAT1 ATOM 2875 H2 TIP3 456 -9.908 13.622 18.758 1.00 0.00 WAT1 ATOM 2876 OH2 TIP3 457 -12.844 6.251 15.210 1.00 0.00 WAT1 ATOM 2877 H1 TIP3 457 -13.466 6.410 14.473 1.00 0.00 WAT1 ATOM 2878 H2 TIP3 457 -13.418 5.907 15.931 1.00 0.00 WAT1 ATOM 2879 OH2 TIP3 458 -17.121 7.506 13.894 1.00 0.00 WAT1 ATOM 2880 H1 TIP3 458 -16.299 7.057 13.613 1.00 0.00 WAT1 ATOM 2881 H2 TIP3 458 -16.835 8.079 14.634 1.00 0.00 WAT1 ATOM 2882 OH2 TIP3 459 -15.827 8.888 15.899 1.00 0.00 WAT1 ATOM 2883 H1 TIP3 459 -14.890 9.037 16.091 1.00 0.00 WAT1 ATOM 2884 H2 TIP3 459 -16.143 8.347 16.658 1.00 0.00 WAT1 ATOM 2885 OH2 TIP3 460 -7.072 5.747 19.973 1.00 0.00 WAT1 ATOM 2886 H1 TIP3 460 -6.948 6.702 20.140 1.00 0.00 WAT1 ATOM 2887 H2 TIP3 460 -7.554 5.711 19.121 1.00 0.00 WAT1 ATOM 2888 OH2 TIP3 461 -14.949 7.748 5.980 1.00 0.00 WAT1 ATOM 2889 H1 TIP3 461 -15.380 8.067 6.797 1.00 0.00 WAT1 ATOM 2890 H2 TIP3 461 -14.494 8.539 5.628 1.00 0.00 WAT1 ATOM 2891 OH2 TIP3 462 -14.608 3.844 14.183 1.00 0.00 WAT1 ATOM 2892 H1 TIP3 462 -15.164 3.057 14.265 1.00 0.00 WAT1 ATOM 2893 H2 TIP3 462 -14.666 4.269 15.071 1.00 0.00 WAT1 ATOM 2894 OH2 TIP3 463 -25.157 12.194 10.337 1.00 0.00 WAT1 ATOM 2895 H1 TIP3 463 -25.568 11.351 10.546 1.00 0.00 WAT1 ATOM 2896 H2 TIP3 463 -24.395 11.956 9.770 1.00 0.00 WAT1 ATOM 2897 OH2 TIP3 464 -18.422 3.285 16.308 1.00 0.00 WAT1 ATOM 2898 H1 TIP3 464 -18.492 4.079 15.729 1.00 0.00 WAT1 ATOM 2899 H2 TIP3 464 -19.332 3.053 16.499 1.00 0.00 WAT1 ATOM 2900 OH2 TIP3 465 -8.232 11.827 3.752 1.00 0.00 WAT1 ATOM 2901 H1 TIP3 465 -8.269 12.390 4.552 1.00 0.00 WAT1 ATOM 2902 H2 TIP3 465 -8.837 11.102 3.945 1.00 0.00 WAT1 ATOM 2903 OH2 TIP3 466 -9.529 6.952 10.515 1.00 0.00 WAT1 ATOM 2904 H1 TIP3 466 -10.451 7.077 10.808 1.00 0.00 WAT1 ATOM 2905 H2 TIP3 466 -9.494 7.387 9.634 1.00 0.00 WAT1 ATOM 2906 OH2 TIP3 467 -16.665 5.231 1.595 1.00 0.00 WAT1 ATOM 2907 H1 TIP3 467 -15.968 4.571 1.610 1.00 0.00 WAT1 ATOM 2908 H2 TIP3 467 -16.466 5.810 2.367 1.00 0.00 WAT1 ATOM 2909 OH2 TIP3 468 -16.204 11.151 4.951 1.00 0.00 WAT1 ATOM 2910 H1 TIP3 468 -15.294 10.769 4.900 1.00 0.00 WAT1 ATOM 2911 H2 TIP3 468 -16.755 10.522 4.447 1.00 0.00 WAT1 ATOM 2912 OH2 TIP3 469 -22.994 11.489 8.793 1.00 0.00 WAT1 ATOM 2913 H1 TIP3 469 -22.294 11.461 9.483 1.00 0.00 WAT1 ATOM 2914 H2 TIP3 469 -22.979 10.591 8.399 1.00 0.00 WAT1 ATOM 2915 OH2 TIP3 470 -10.157 -6.653 15.966 1.00 0.00 WAT1 ATOM 2916 H1 TIP3 470 -11.011 -6.757 16.390 1.00 0.00 WAT1 ATOM 2917 H2 TIP3 470 -10.005 -7.491 15.527 1.00 0.00 WAT1 ATOM 2918 OH2 TIP3 471 -17.984 8.991 4.159 1.00 0.00 WAT1 ATOM 2919 H1 TIP3 471 -18.475 9.026 4.990 1.00 0.00 WAT1 ATOM 2920 H2 TIP3 471 -18.679 8.909 3.474 1.00 0.00 WAT1 ATOM 2921 OH2 TIP3 472 -15.893 2.748 17.073 1.00 0.00 WAT1 ATOM 2922 H1 TIP3 472 -15.901 1.941 17.629 1.00 0.00 WAT1 ATOM 2923 H2 TIP3 472 -16.840 2.882 16.831 1.00 0.00 WAT1 ATOM 2924 OH2 TIP3 473 -13.758 10.024 5.037 1.00 0.00 WAT1 ATOM 2925 H1 TIP3 473 -13.073 10.382 5.642 1.00 0.00 WAT1 ATOM 2926 H2 TIP3 473 -13.244 9.656 4.284 1.00 0.00 WAT1 ATOM 2927 OH2 TIP3 474 -14.966 5.207 16.539 1.00 0.00 WAT1 ATOM 2928 H1 TIP3 474 -15.543 5.850 17.000 1.00 0.00 WAT1 ATOM 2929 H2 TIP3 474 -15.257 4.329 16.889 1.00 0.00 WAT1 ATOM 2930 OH2 TIP3 475 -19.287 14.625 1.721 1.00 0.00 WAT1 ATOM 2931 H1 TIP3 475 -19.287 15.562 1.992 1.00 0.00 WAT1 ATOM 2932 H2 TIP3 475 -18.403 14.485 1.354 1.00 0.00 WAT1 ATOM 2933 OH2 TIP3 476 -25.367 15.366 7.444 1.00 0.00 WAT1 ATOM 2934 H1 TIP3 476 -25.866 16.164 7.188 1.00 0.00 WAT1 ATOM 2935 H2 TIP3 476 -25.670 15.177 8.361 1.00 0.00 WAT1 ATOM 2936 OH2 TIP3 477 -11.631 2.702 21.165 1.00 0.00 WAT1 ATOM 2937 H1 TIP3 477 -12.511 2.717 20.780 1.00 0.00 WAT1 ATOM 2938 H2 TIP3 477 -11.041 2.978 20.427 1.00 0.00 WAT1 ATOM 2939 OH2 TIP3 478 -9.480 8.418 8.040 1.00 0.00 WAT1 ATOM 2940 H1 TIP3 478 -8.928 9.208 7.936 1.00 0.00 WAT1 ATOM 2941 H2 TIP3 478 -9.901 8.305 7.168 1.00 0.00 WAT1 ATOM 2942 OH2 TIP3 479 -11.147 8.307 5.707 1.00 0.00 WAT1 ATOM 2943 H1 TIP3 479 -11.414 8.391 4.765 1.00 0.00 WAT1 ATOM 2944 H2 TIP3 479 -11.670 7.562 6.033 1.00 0.00 WAT1 ATOM 2945 OH2 TIP3 480 -9.445 4.748 12.347 1.00 0.00 WAT1 ATOM 2946 H1 TIP3 480 -10.390 4.516 12.287 1.00 0.00 WAT1 ATOM 2947 H2 TIP3 480 -9.312 5.409 11.636 1.00 0.00 WAT1 ATOM 2948 OH2 TIP3 481 -11.852 8.396 20.312 1.00 0.00 WAT1 ATOM 2949 H1 TIP3 481 -11.221 8.036 20.941 1.00 0.00 WAT1 ATOM 2950 H2 TIP3 481 -11.547 9.318 20.165 1.00 0.00 WAT1 ATOM 2951 OH2 TIP3 482 -5.679 1.763 20.974 1.00 0.00 WAT1 ATOM 2952 H1 TIP3 482 -5.917 1.195 20.231 1.00 0.00 WAT1 ATOM 2953 H2 TIP3 482 -6.511 2.254 21.178 1.00 0.00 WAT1 ATOM 2954 OH2 TIP3 483 -12.720 10.622 17.610 1.00 0.00 WAT1 ATOM 2955 H1 TIP3 483 -12.076 10.658 18.351 1.00 0.00 WAT1 ATOM 2956 H2 TIP3 483 -13.026 11.531 17.523 1.00 0.00 WAT1 ATOM 2957 OH2 TIP3 484 -15.510 11.169 11.117 1.00 0.00 WAT1 ATOM 2958 H1 TIP3 484 -15.935 11.932 10.681 1.00 0.00 WAT1 ATOM 2959 H2 TIP3 484 -15.727 11.279 12.067 1.00 0.00 WAT1 ATOM 2960 OH2 TIP3 485 -13.664 9.067 13.641 1.00 0.00 WAT1 ATOM 2961 H1 TIP3 485 -14.089 8.227 13.388 1.00 0.00 WAT1 ATOM 2962 H2 TIP3 485 -14.367 9.732 13.531 1.00 0.00 WAT1 ATOM 2963 OH2 TIP3 486 -21.308 11.769 10.963 1.00 0.00 WAT1 ATOM 2964 H1 TIP3 486 -20.355 11.994 10.880 1.00 0.00 WAT1 ATOM 2965 H2 TIP3 486 -21.409 11.504 11.907 1.00 0.00 WAT1 ATOM 2966 OH2 TIP3 487 -21.244 10.973 13.548 1.00 0.00 WAT1 ATOM 2967 H1 TIP3 487 -20.293 11.178 13.680 1.00 0.00 WAT1 ATOM 2968 H2 TIP3 487 -21.618 11.005 14.434 1.00 0.00 WAT1 ATOM 2969 OH2 TIP3 488 -23.199 8.788 8.150 1.00 0.00 WAT1 ATOM 2970 H1 TIP3 488 -23.127 8.745 9.131 1.00 0.00 WAT1 ATOM 2971 H2 TIP3 488 -23.981 8.261 7.949 1.00 0.00 WAT1 ATOM 2972 OH2 TIP3 489 -15.520 13.270 6.497 1.00 0.00 WAT1 ATOM 2973 H1 TIP3 489 -14.538 13.289 6.414 1.00 0.00 WAT1 ATOM 2974 H2 TIP3 489 -15.800 12.586 5.848 1.00 0.00 WAT1 ATOM 2975 OH2 TIP3 490 -11.111 9.962 10.854 1.00 0.00 WAT1 ATOM 2976 H1 TIP3 490 -12.013 9.803 10.511 1.00 0.00 WAT1 ATOM 2977 H2 TIP3 490 -10.719 10.589 10.204 1.00 0.00 WAT1 ATOM 2978 OH2 TIP3 491 -22.095 9.335 5.670 1.00 0.00 WAT1 ATOM 2979 H1 TIP3 491 -22.439 9.111 6.562 1.00 0.00 WAT1 ATOM 2980 H2 TIP3 491 -21.746 8.478 5.323 1.00 0.00 WAT1 ATOM 2981 OH2 TIP3 492 -10.900 10.889 19.658 1.00 0.00 WAT1 ATOM 2982 H1 TIP3 492 -10.009 10.686 20.032 1.00 0.00 WAT1 ATOM 2983 H2 TIP3 492 -10.782 11.766 19.226 1.00 0.00 WAT1 ATOM 2984 OH2 TIP3 493 -8.461 10.351 20.708 1.00 0.00 WAT1 ATOM 2985 H1 TIP3 493 -8.159 11.053 21.301 1.00 0.00 WAT1 ATOM 2986 H2 TIP3 493 -7.722 9.709 20.697 1.00 0.00 WAT1 ATOM 2987 OH2 TIP3 494 -7.408 1.169 24.191 1.00 0.00 WAT1 ATOM 2988 H1 TIP3 494 -7.797 1.025 25.077 1.00 0.00 WAT1 ATOM 2989 H2 TIP3 494 -8.164 1.475 23.647 1.00 0.00 WAT1 ATOM 2990 OH2 TIP3 495 -8.722 14.212 19.915 1.00 0.00 WAT1 ATOM 2991 H1 TIP3 495 -8.866 13.735 20.763 1.00 0.00 WAT1 ATOM 2992 H2 TIP3 495 -7.757 14.403 19.912 1.00 0.00 WAT1 ATOM 2993 OH2 TIP3 496 -13.742 8.178 18.399 1.00 0.00 WAT1 ATOM 2994 H1 TIP3 496 -13.133 8.027 19.158 1.00 0.00 WAT1 ATOM 2995 H2 TIP3 496 -13.454 9.041 18.038 1.00 0.00 WAT1 ATOM 2996 OH2 TIP3 497 -10.011 3.346 19.043 1.00 0.00 WAT1 ATOM 2997 H1 TIP3 497 -9.729 4.199 18.663 1.00 0.00 WAT1 ATOM 2998 H2 TIP3 497 -9.567 2.688 18.493 1.00 0.00 WAT1 ATOM 2999 OH2 TIP3 498 -8.657 1.412 26.637 1.00 0.00 WAT1 ATOM 3000 H1 TIP3 498 -9.092 0.875 27.309 1.00 0.00 WAT1 ATOM 3001 H2 TIP3 498 -9.374 1.990 26.289 1.00 0.00 WAT1 ATOM 3002 OH2 TIP3 499 -10.473 3.247 25.698 1.00 0.00 WAT1 ATOM 3003 H1 TIP3 499 -11.389 3.494 25.868 1.00 0.00 WAT1 ATOM 3004 H2 TIP3 499 -9.945 3.937 26.170 1.00 0.00 WAT1 ATOM 3005 OH2 TIP3 500 -9.707 2.475 23.106 1.00 0.00 WAT1 ATOM 3006 H1 TIP3 500 -10.480 2.454 22.490 1.00 0.00 WAT1 ATOM 3007 H2 TIP3 500 -10.090 2.759 23.960 1.00 0.00 WAT1 ATOM 3008 OH2 TIP3 501 -17.057 26.883 -18.497 1.00 0.00 WAT1 ATOM 3009 H1 TIP3 501 -16.380 26.301 -18.888 1.00 0.00 WAT1 ATOM 3010 H2 TIP3 501 -16.544 27.647 -18.168 1.00 0.00 WAT1 ATOM 3011 OH2 TIP3 502 -21.128 28.211 -20.002 1.00 0.00 WAT1 ATOM 3012 H1 TIP3 502 -21.525 27.387 -19.649 1.00 0.00 WAT1 ATOM 3013 H2 TIP3 502 -21.604 28.371 -20.821 1.00 0.00 WAT1 ATOM 3014 OH2 TIP3 503 -6.633 23.540 -15.592 1.00 0.00 WAT1 ATOM 3015 H1 TIP3 503 -6.643 24.510 -15.710 1.00 0.00 WAT1 ATOM 3016 H2 TIP3 503 -6.083 23.402 -14.796 1.00 0.00 WAT1 ATOM 3017 OH2 TIP3 504 -7.944 32.382 -17.126 1.00 0.00 WAT1 ATOM 3018 H1 TIP3 504 -8.856 32.750 -17.138 1.00 0.00 WAT1 ATOM 3019 H2 TIP3 504 -7.936 31.791 -16.332 1.00 0.00 WAT1 ATOM 3020 OH2 TIP3 505 -24.744 25.145 -18.152 1.00 0.00 WAT1 ATOM 3021 H1 TIP3 505 -25.625 25.033 -18.528 1.00 0.00 WAT1 ATOM 3022 H2 TIP3 505 -24.596 24.317 -17.631 1.00 0.00 WAT1 ATOM 3023 OH2 TIP3 506 -8.644 22.170 -16.745 1.00 0.00 WAT1 ATOM 3024 H1 TIP3 506 -8.183 21.361 -17.052 1.00 0.00 WAT1 ATOM 3025 H2 TIP3 506 -7.920 22.725 -16.366 1.00 0.00 WAT1 ATOM 3026 OH2 TIP3 507 -14.283 26.282 -19.271 1.00 0.00 WAT1 ATOM 3027 H1 TIP3 507 -13.907 27.187 -19.275 1.00 0.00 WAT1 ATOM 3028 H2 TIP3 507 -13.883 25.858 -20.035 1.00 0.00 WAT1 ATOM 3029 OH2 TIP3 508 -19.264 28.696 -18.058 1.00 0.00 WAT1 ATOM 3030 H1 TIP3 508 -19.917 28.706 -18.798 1.00 0.00 WAT1 ATOM 3031 H2 TIP3 508 -18.617 28.011 -18.324 1.00 0.00 WAT1 ATOM 3032 OH2 TIP3 509 -14.535 27.182 -15.150 1.00 0.00 WAT1 ATOM 3033 H1 TIP3 509 -13.862 26.515 -15.423 1.00 0.00 WAT1 ATOM 3034 H2 TIP3 509 -14.499 27.853 -15.846 1.00 0.00 WAT1 ATOM 3035 OH2 TIP3 510 -18.589 24.923 -17.090 1.00 0.00 WAT1 ATOM 3036 H1 TIP3 510 -17.951 24.976 -16.352 1.00 0.00 WAT1 ATOM 3037 H2 TIP3 510 -18.226 25.534 -17.757 1.00 0.00 WAT1 ATOM 3038 OH2 TIP3 511 -16.982 20.737 -13.642 1.00 0.00 WAT1 ATOM 3039 H1 TIP3 511 -16.868 19.767 -13.803 1.00 0.00 WAT1 ATOM 3040 H2 TIP3 511 -17.368 20.788 -12.744 1.00 0.00 WAT1 ATOM 3041 OH2 TIP3 512 -22.126 15.518 -14.073 1.00 0.00 WAT1 ATOM 3042 H1 TIP3 512 -22.264 14.572 -14.310 1.00 0.00 WAT1 ATOM 3043 H2 TIP3 512 -21.446 15.487 -13.380 1.00 0.00 WAT1 ATOM 3044 OH2 TIP3 513 -9.570 28.967 -20.691 1.00 0.00 WAT1 ATOM 3045 H1 TIP3 513 -9.011 29.626 -20.216 1.00 0.00 WAT1 ATOM 3046 H2 TIP3 513 -9.327 28.125 -20.293 1.00 0.00 WAT1 ATOM 3047 OH2 TIP3 514 -13.352 28.871 -19.403 1.00 0.00 WAT1 ATOM 3048 H1 TIP3 514 -13.025 28.789 -20.330 1.00 0.00 WAT1 ATOM 3049 H2 TIP3 514 -12.816 29.608 -19.029 1.00 0.00 WAT1 ATOM 3050 OH2 TIP3 515 -10.649 23.621 -15.469 1.00 0.00 WAT1 ATOM 3051 H1 TIP3 515 -10.059 24.183 -14.919 1.00 0.00 WAT1 ATOM 3052 H2 TIP3 515 -10.028 23.070 -15.995 1.00 0.00 WAT1 ATOM 3053 OH2 TIP3 516 -10.268 20.006 -16.345 1.00 0.00 WAT1 ATOM 3054 H1 TIP3 516 -9.936 20.911 -16.496 1.00 0.00 WAT1 ATOM 3055 H2 TIP3 516 -9.531 19.437 -16.624 1.00 0.00 WAT1 ATOM 3056 OH2 TIP3 517 -22.213 26.016 -18.719 1.00 0.00 WAT1 ATOM 3057 H1 TIP3 517 -21.688 25.208 -18.634 1.00 0.00 WAT1 ATOM 3058 H2 TIP3 517 -23.146 25.709 -18.622 1.00 0.00 WAT1 ATOM 3059 OH2 TIP3 518 -15.462 29.034 -17.694 1.00 0.00 WAT1 ATOM 3060 H1 TIP3 518 -15.564 30.007 -17.791 1.00 0.00 WAT1 ATOM 3061 H2 TIP3 518 -14.707 28.819 -18.288 1.00 0.00 WAT1 ATOM 3062 OH2 TIP3 519 -10.060 29.994 -16.709 1.00 0.00 WAT1 ATOM 3063 H1 TIP3 519 -10.170 29.066 -16.417 1.00 0.00 WAT1 ATOM 3064 H2 TIP3 519 -9.403 30.362 -16.083 1.00 0.00 WAT1 ATOM 3065 OH2 TIP3 520 -21.995 12.768 -14.132 1.00 0.00 WAT1 ATOM 3066 H1 TIP3 520 -21.020 12.689 -14.180 1.00 0.00 WAT1 ATOM 3067 H2 TIP3 520 -22.306 11.838 -14.051 1.00 0.00 WAT1 ATOM 3068 OH2 TIP3 521 -9.719 27.487 -15.548 1.00 0.00 WAT1 ATOM 3069 H1 TIP3 521 -8.868 27.981 -15.504 1.00 0.00 WAT1 ATOM 3070 H2 TIP3 521 -9.484 26.588 -15.262 1.00 0.00 WAT1 ATOM 3071 OH2 TIP3 522 -23.305 19.587 -10.333 1.00 0.00 WAT1 ATOM 3072 H1 TIP3 522 -23.864 18.829 -10.073 1.00 0.00 WAT1 ATOM 3073 H2 TIP3 522 -22.413 19.358 -9.991 1.00 0.00 WAT1 ATOM 3074 OH2 TIP3 523 -25.611 24.163 -6.350 1.00 0.00 WAT1 ATOM 3075 H1 TIP3 523 -26.028 24.613 -5.577 1.00 0.00 WAT1 ATOM 3076 H2 TIP3 523 -24.662 24.364 -6.260 1.00 0.00 WAT1 ATOM 3077 OH2 TIP3 524 -11.898 14.540 -7.362 1.00 0.00 WAT1 ATOM 3078 H1 TIP3 524 -12.232 15.438 -7.534 1.00 0.00 WAT1 ATOM 3079 H2 TIP3 524 -11.300 14.656 -6.598 1.00 0.00 WAT1 ATOM 3080 OH2 TIP3 525 -10.824 15.474 -4.936 1.00 0.00 WAT1 ATOM 3081 H1 TIP3 525 -10.705 14.618 -4.480 1.00 0.00 WAT1 ATOM 3082 H2 TIP3 525 -10.658 16.142 -4.242 1.00 0.00 WAT1 ATOM 3083 OH2 TIP3 526 -22.727 24.242 -12.692 1.00 0.00 WAT1 ATOM 3084 H1 TIP3 526 -22.871 23.574 -11.987 1.00 0.00 WAT1 ATOM 3085 H2 TIP3 526 -22.434 23.711 -13.465 1.00 0.00 WAT1 ATOM 3086 OH2 TIP3 527 -15.686 23.071 -13.993 1.00 0.00 WAT1 ATOM 3087 H1 TIP3 527 -16.094 22.172 -13.977 1.00 0.00 WAT1 ATOM 3088 H2 TIP3 527 -14.731 22.901 -13.858 1.00 0.00 WAT1 ATOM 3089 OH2 TIP3 528 -18.483 20.664 -15.952 1.00 0.00 WAT1 ATOM 3090 H1 TIP3 528 -18.521 19.695 -16.074 1.00 0.00 WAT1 ATOM 3091 H2 TIP3 528 -17.900 20.783 -15.174 1.00 0.00 WAT1 ATOM 3092 OH2 TIP3 529 -16.817 18.179 -14.430 1.00 0.00 WAT1 ATOM 3093 H1 TIP3 529 -16.074 17.539 -14.473 1.00 0.00 WAT1 ATOM 3094 H2 TIP3 529 -17.473 17.827 -15.061 1.00 0.00 WAT1 ATOM 3095 OH2 TIP3 530 -21.423 26.684 -12.345 1.00 0.00 WAT1 ATOM 3096 H1 TIP3 530 -22.212 27.214 -12.152 1.00 0.00 WAT1 ATOM 3097 H2 TIP3 530 -21.783 25.797 -12.568 1.00 0.00 WAT1 ATOM 3098 OH2 TIP3 531 -8.901 25.231 -14.078 1.00 0.00 WAT1 ATOM 3099 H1 TIP3 531 -8.061 25.534 -14.490 1.00 0.00 WAT1 ATOM 3100 H2 TIP3 531 -8.606 24.693 -13.304 1.00 0.00 WAT1 ATOM 3101 OH2 TIP3 532 -11.627 19.315 -14.140 1.00 0.00 WAT1 ATOM 3102 H1 TIP3 532 -11.168 19.665 -14.943 1.00 0.00 WAT1 ATOM 3103 H2 TIP3 532 -12.556 19.527 -14.290 1.00 0.00 WAT1 ATOM 3104 OH2 TIP3 533 -14.645 16.455 -14.399 1.00 0.00 WAT1 ATOM 3105 H1 TIP3 533 -13.700 16.608 -14.508 1.00 0.00 WAT1 ATOM 3106 H2 TIP3 533 -14.712 15.955 -13.552 1.00 0.00 WAT1 ATOM 3107 OH2 TIP3 534 -20.827 18.938 -9.291 1.00 0.00 WAT1 ATOM 3108 H1 TIP3 534 -20.828 18.154 -9.888 1.00 0.00 WAT1 ATOM 3109 H2 TIP3 534 -20.641 18.564 -8.410 1.00 0.00 WAT1 ATOM 3110 OH2 TIP3 535 -18.886 17.886 -16.337 1.00 0.00 WAT1 ATOM 3111 H1 TIP3 535 -18.853 17.490 -17.214 1.00 0.00 WAT1 ATOM 3112 H2 TIP3 535 -19.835 17.819 -16.078 1.00 0.00 WAT1 ATOM 3113 OH2 TIP3 536 -25.077 17.499 -9.889 1.00 0.00 WAT1 ATOM 3114 H1 TIP3 536 -24.585 16.938 -10.533 1.00 0.00 WAT1 ATOM 3115 H2 TIP3 536 -25.892 17.725 -10.351 1.00 0.00 WAT1 ATOM 3116 OH2 TIP3 537 -20.628 21.859 -12.093 1.00 0.00 WAT1 ATOM 3117 H1 TIP3 537 -20.944 21.995 -13.007 1.00 0.00 WAT1 ATOM 3118 H2 TIP3 537 -21.439 21.901 -11.552 1.00 0.00 WAT1 ATOM 3119 OH2 TIP3 538 -23.718 16.154 -11.855 1.00 0.00 WAT1 ATOM 3120 H1 TIP3 538 -23.450 16.197 -12.793 1.00 0.00 WAT1 ATOM 3121 H2 TIP3 538 -23.663 15.199 -11.637 1.00 0.00 WAT1 ATOM 3122 OH2 TIP3 539 -18.158 21.298 -11.166 1.00 0.00 WAT1 ATOM 3123 H1 TIP3 539 -19.052 21.467 -11.556 1.00 0.00 WAT1 ATOM 3124 H2 TIP3 539 -18.314 20.599 -10.519 1.00 0.00 WAT1 ATOM 3125 OH2 TIP3 540 -21.562 17.676 -15.782 1.00 0.00 WAT1 ATOM 3126 H1 TIP3 540 -21.774 16.829 -15.334 1.00 0.00 WAT1 ATOM 3127 H2 TIP3 540 -22.109 18.324 -15.329 1.00 0.00 WAT1 ATOM 3128 OH2 TIP3 541 -8.865 17.358 -11.472 1.00 0.00 WAT1 ATOM 3129 H1 TIP3 541 -8.447 18.231 -11.404 1.00 0.00 WAT1 ATOM 3130 H2 TIP3 541 -9.550 17.363 -10.763 1.00 0.00 WAT1 ATOM 3131 OH2 TIP3 542 -28.866 24.081 -1.280 1.00 0.00 WAT1 ATOM 3132 H1 TIP3 542 -28.126 23.499 -1.552 1.00 0.00 WAT1 ATOM 3133 H2 TIP3 542 -29.221 24.419 -2.127 1.00 0.00 WAT1 ATOM 3134 OH2 TIP3 543 -11.675 19.138 -11.348 1.00 0.00 WAT1 ATOM 3135 H1 TIP3 543 -11.569 19.067 -12.316 1.00 0.00 WAT1 ATOM 3136 H2 TIP3 543 -11.989 20.059 -11.212 1.00 0.00 WAT1 ATOM 3137 OH2 TIP3 544 -23.081 22.217 -10.824 1.00 0.00 WAT1 ATOM 3138 H1 TIP3 544 -23.201 21.235 -10.747 1.00 0.00 WAT1 ATOM 3139 H2 TIP3 544 -23.693 22.578 -10.175 1.00 0.00 WAT1 ATOM 3140 OH2 TIP3 545 -16.693 25.352 -15.084 1.00 0.00 WAT1 ATOM 3141 H1 TIP3 545 -16.180 24.542 -14.853 1.00 0.00 WAT1 ATOM 3142 H2 TIP3 545 -16.015 26.058 -15.131 1.00 0.00 WAT1 ATOM 3143 OH2 TIP3 546 -24.248 26.451 -11.841 1.00 0.00 WAT1 ATOM 3144 H1 TIP3 546 -23.861 25.615 -12.166 1.00 0.00 WAT1 ATOM 3145 H2 TIP3 546 -24.790 26.773 -12.593 1.00 0.00 WAT1 ATOM 3146 OH2 TIP3 547 -15.751 14.472 -9.254 1.00 0.00 WAT1 ATOM 3147 H1 TIP3 547 -14.861 14.843 -9.268 1.00 0.00 WAT1 ATOM 3148 H2 TIP3 547 -15.954 14.375 -8.292 1.00 0.00 WAT1 ATOM 3149 OH2 TIP3 548 -21.213 16.674 -10.670 1.00 0.00 WAT1 ATOM 3150 H1 TIP3 548 -22.123 16.594 -11.006 1.00 0.00 WAT1 ATOM 3151 H2 TIP3 548 -20.744 15.911 -11.065 1.00 0.00 WAT1 ATOM 3152 OH2 TIP3 549 -21.961 28.073 -16.865 1.00 0.00 WAT1 ATOM 3153 H1 TIP3 549 -21.031 28.350 -16.917 1.00 0.00 WAT1 ATOM 3154 H2 TIP3 549 -22.037 27.371 -17.545 1.00 0.00 WAT1 ATOM 3155 OH2 TIP3 550 -22.368 20.902 -16.787 1.00 0.00 WAT1 ATOM 3156 H1 TIP3 550 -22.136 20.086 -17.247 1.00 0.00 WAT1 ATOM 3157 H2 TIP3 550 -21.588 21.487 -16.924 1.00 0.00 WAT1 ATOM 3158 OH2 TIP3 551 -17.465 28.836 -15.812 1.00 0.00 WAT1 ATOM 3159 H1 TIP3 551 -16.685 28.877 -16.404 1.00 0.00 WAT1 ATOM 3160 H2 TIP3 551 -18.222 28.778 -16.423 1.00 0.00 WAT1 ATOM 3161 OH2 TIP3 552 -24.236 22.992 -16.593 1.00 0.00 WAT1 ATOM 3162 H1 TIP3 552 -24.178 23.121 -15.639 1.00 0.00 WAT1 ATOM 3163 H2 TIP3 552 -23.716 22.178 -16.757 1.00 0.00 WAT1 ATOM 3164 OH2 TIP3 553 -12.763 25.327 -16.037 1.00 0.00 WAT1 ATOM 3165 H1 TIP3 553 -11.939 24.810 -15.896 1.00 0.00 WAT1 ATOM 3166 H2 TIP3 553 -12.967 25.196 -16.972 1.00 0.00 WAT1 ATOM 3167 OH2 TIP3 554 -21.833 22.445 -14.529 1.00 0.00 WAT1 ATOM 3168 H1 TIP3 554 -22.230 21.654 -14.934 1.00 0.00 WAT1 ATOM 3169 H2 TIP3 554 -21.175 22.743 -15.195 1.00 0.00 WAT1 ATOM 3170 OH2 TIP3 555 -20.183 22.627 -16.707 1.00 0.00 WAT1 ATOM 3171 H1 TIP3 555 -19.664 23.432 -16.930 1.00 0.00 WAT1 ATOM 3172 H2 TIP3 555 -19.493 21.946 -16.506 1.00 0.00 WAT1 ATOM 3173 OH2 TIP3 556 -12.877 23.103 -13.839 1.00 0.00 WAT1 ATOM 3174 H1 TIP3 556 -12.093 22.980 -14.413 1.00 0.00 WAT1 ATOM 3175 H2 TIP3 556 -13.074 24.049 -13.913 1.00 0.00 WAT1 ATOM 3176 OH2 TIP3 557 -16.423 28.760 -13.284 1.00 0.00 WAT1 ATOM 3177 H1 TIP3 557 -15.748 28.075 -13.435 1.00 0.00 WAT1 ATOM 3178 H2 TIP3 557 -16.938 28.773 -14.125 1.00 0.00 WAT1 ATOM 3179 OH2 TIP3 558 -24.506 27.091 -16.104 1.00 0.00 WAT1 ATOM 3180 H1 TIP3 558 -24.623 26.440 -16.821 1.00 0.00 WAT1 ATOM 3181 H2 TIP3 558 -23.618 27.462 -16.261 1.00 0.00 WAT1 ATOM 3182 OH2 TIP3 559 -9.231 17.860 -14.177 1.00 0.00 WAT1 ATOM 3183 H1 TIP3 559 -10.080 18.336 -14.249 1.00 0.00 WAT1 ATOM 3184 H2 TIP3 559 -9.230 17.513 -13.265 1.00 0.00 WAT1 ATOM 3185 OH2 TIP3 560 -11.687 17.383 -6.860 1.00 0.00 WAT1 ATOM 3186 H1 TIP3 560 -11.736 18.256 -6.416 1.00 0.00 WAT1 ATOM 3187 H2 TIP3 560 -11.343 16.785 -6.170 1.00 0.00 WAT1 ATOM 3188 OH2 TIP3 561 -7.751 13.591 5.883 1.00 0.00 WAT1 ATOM 3189 H1 TIP3 561 -8.148 14.410 5.509 1.00 0.00 WAT1 ATOM 3190 H2 TIP3 561 -6.792 13.755 5.852 1.00 0.00 WAT1 ATOM 3191 OH2 TIP3 562 -14.846 14.830 -12.214 1.00 0.00 WAT1 ATOM 3192 H1 TIP3 562 -14.685 13.876 -12.362 1.00 0.00 WAT1 ATOM 3193 H2 TIP3 562 -15.312 14.862 -11.367 1.00 0.00 WAT1 ATOM 3194 OH2 TIP3 563 -26.068 14.671 -5.112 1.00 0.00 WAT1 ATOM 3195 H1 TIP3 563 -25.576 13.823 -5.074 1.00 0.00 WAT1 ATOM 3196 H2 TIP3 563 -25.801 15.063 -5.965 1.00 0.00 WAT1 ATOM 3197 OH2 TIP3 564 -26.695 17.483 -5.446 1.00 0.00 WAT1 ATOM 3198 H1 TIP3 564 -26.212 17.148 -6.229 1.00 0.00 WAT1 ATOM 3199 H2 TIP3 564 -27.121 16.692 -5.076 1.00 0.00 WAT1 ATOM 3200 OH2 TIP3 565 -7.074 15.361 -11.771 1.00 0.00 WAT1 ATOM 3201 H1 TIP3 565 -7.279 14.845 -12.558 1.00 0.00 WAT1 ATOM 3202 H2 TIP3 565 -7.701 16.115 -11.805 1.00 0.00 WAT1 ATOM 3203 OH2 TIP3 566 -24.202 14.033 -8.919 1.00 0.00 WAT1 ATOM 3204 H1 TIP3 566 -23.745 13.968 -9.779 1.00 0.00 WAT1 ATOM 3205 H2 TIP3 566 -24.430 13.110 -8.704 1.00 0.00 WAT1 ATOM 3206 OH2 TIP3 567 -24.984 12.881 -1.055 1.00 0.00 WAT1 ATOM 3207 H1 TIP3 567 -25.454 13.143 -0.230 1.00 0.00 WAT1 ATOM 3208 H2 TIP3 567 -25.276 11.952 -1.216 1.00 0.00 WAT1 ATOM 3209 OH2 TIP3 568 -15.883 14.226 -6.548 1.00 0.00 WAT1 ATOM 3210 H1 TIP3 568 -15.647 14.935 -5.916 1.00 0.00 WAT1 ATOM 3211 H2 TIP3 568 -15.587 13.407 -6.100 1.00 0.00 WAT1 ATOM 3212 OH2 TIP3 569 -8.282 13.112 -8.043 1.00 0.00 WAT1 ATOM 3213 H1 TIP3 569 -8.787 13.359 -8.838 1.00 0.00 WAT1 ATOM 3214 H2 TIP3 569 -8.070 13.976 -7.621 1.00 0.00 WAT1 ATOM 3215 OH2 TIP3 570 -19.494 9.814 -11.041 1.00 0.00 WAT1 ATOM 3216 H1 TIP3 570 -18.859 9.962 -11.774 1.00 0.00 WAT1 ATOM 3217 H2 TIP3 570 -19.742 10.727 -10.753 1.00 0.00 WAT1 ATOM 3218 OH2 TIP3 571 -12.172 13.261 -9.811 1.00 0.00 WAT1 ATOM 3219 H1 TIP3 571 -12.086 13.686 -8.934 1.00 0.00 WAT1 ATOM 3220 H2 TIP3 571 -11.370 13.542 -10.286 1.00 0.00 WAT1 ATOM 3221 OH2 TIP3 572 -23.089 13.528 -11.484 1.00 0.00 WAT1 ATOM 3222 H1 TIP3 572 -22.119 13.643 -11.527 1.00 0.00 WAT1 ATOM 3223 H2 TIP3 572 -23.296 12.992 -12.267 1.00 0.00 WAT1 ATOM 3224 OH2 TIP3 573 -20.398 14.334 -11.931 1.00 0.00 WAT1 ATOM 3225 H1 TIP3 573 -19.951 13.968 -12.726 1.00 0.00 WAT1 ATOM 3226 H2 TIP3 573 -20.188 13.677 -11.219 1.00 0.00 WAT1 ATOM 3227 OH2 TIP3 574 -18.245 31.885 -17.722 1.00 0.00 WAT1 ATOM 3228 H1 TIP3 574 -17.328 31.864 -18.074 1.00 0.00 WAT1 ATOM 3229 H2 TIP3 574 -18.596 31.000 -17.922 1.00 0.00 WAT1 ATOM 3230 OH2 TIP3 575 -19.997 11.068 5.417 1.00 0.00 WAT1 ATOM 3231 H1 TIP3 575 -20.796 10.504 5.491 1.00 0.00 WAT1 ATOM 3232 H2 TIP3 575 -20.182 11.646 4.652 1.00 0.00 WAT1 ATOM 3233 OH2 TIP3 576 -23.031 30.490 -15.965 1.00 0.00 WAT1 ATOM 3234 H1 TIP3 576 -23.508 30.702 -16.775 1.00 0.00 WAT1 ATOM 3235 H2 TIP3 576 -22.645 29.606 -16.140 1.00 0.00 WAT1 ATOM 3236 OH2 TIP3 577 -12.772 13.357 6.402 1.00 0.00 WAT1 ATOM 3237 H1 TIP3 577 -12.485 12.420 6.418 1.00 0.00 WAT1 ATOM 3238 H2 TIP3 577 -12.153 13.804 7.020 1.00 0.00 WAT1 ATOM 3239 OH2 TIP3 578 -20.987 24.184 15.238 1.00 0.00 WAT1 ATOM 3240 H1 TIP3 578 -20.198 24.356 15.816 1.00 0.00 WAT1 ATOM 3241 H2 TIP3 578 -20.649 24.332 14.329 1.00 0.00 WAT1 ATOM 3242 OH2 TIP3 579 -11.073 21.121 12.100 1.00 0.00 WAT1 ATOM 3243 H1 TIP3 579 -11.178 21.607 12.945 1.00 0.00 WAT1 ATOM 3244 H2 TIP3 579 -10.934 20.192 12.381 1.00 0.00 WAT1 ATOM 3245 OH2 TIP3 580 -26.901 17.568 6.709 1.00 0.00 WAT1 ATOM 3246 H1 TIP3 580 -27.773 17.126 6.811 1.00 0.00 WAT1 ATOM 3247 H2 TIP3 580 -27.033 18.440 7.098 1.00 0.00 WAT1 ATOM 3248 OH2 TIP3 581 -15.782 15.816 7.483 1.00 0.00 WAT1 ATOM 3249 H1 TIP3 581 -15.779 14.955 7.011 1.00 0.00 WAT1 ATOM 3250 H2 TIP3 581 -14.866 16.114 7.438 1.00 0.00 WAT1 ATOM 3251 OH2 TIP3 582 -25.854 14.805 10.054 1.00 0.00 WAT1 ATOM 3252 H1 TIP3 582 -25.601 15.202 10.891 1.00 0.00 WAT1 ATOM 3253 H2 TIP3 582 -25.697 13.842 10.186 1.00 0.00 WAT1 ATOM 3254 OH2 TIP3 583 -21.987 19.428 17.079 1.00 0.00 WAT1 ATOM 3255 H1 TIP3 583 -22.962 19.539 16.999 1.00 0.00 WAT1 ATOM 3256 H2 TIP3 583 -21.746 18.889 16.297 1.00 0.00 WAT1 ATOM 3257 OH2 TIP3 584 -18.003 16.438 8.948 1.00 0.00 WAT1 ATOM 3258 H1 TIP3 584 -17.210 16.091 8.475 1.00 0.00 WAT1 ATOM 3259 H2 TIP3 584 -18.010 17.375 8.735 1.00 0.00 WAT1 ATOM 3260 OH2 TIP3 585 -18.698 12.743 11.025 1.00 0.00 WAT1 ATOM 3261 H1 TIP3 585 -18.025 12.674 10.310 1.00 0.00 WAT1 ATOM 3262 H2 TIP3 585 -18.850 13.712 11.115 1.00 0.00 WAT1 ATOM 3263 OH2 TIP3 586 -11.661 23.591 10.968 1.00 0.00 WAT1 ATOM 3264 H1 TIP3 586 -11.574 23.506 10.010 1.00 0.00 WAT1 ATOM 3265 H2 TIP3 586 -11.568 22.675 11.300 1.00 0.00 WAT1 ATOM 3266 OH2 TIP3 587 -20.852 20.262 12.730 1.00 0.00 WAT1 ATOM 3267 H1 TIP3 587 -21.610 20.889 12.839 1.00 0.00 WAT1 ATOM 3268 H2 TIP3 587 -20.759 20.172 11.775 1.00 0.00 WAT1 ATOM 3269 OH2 TIP3 588 -24.595 22.435 16.650 1.00 0.00 WAT1 ATOM 3270 H1 TIP3 588 -24.445 21.475 16.507 1.00 0.00 WAT1 ATOM 3271 H2 TIP3 588 -25.507 22.483 16.972 1.00 0.00 WAT1 ATOM 3272 OH2 TIP3 589 -18.344 31.431 11.872 1.00 0.00 WAT1 ATOM 3273 H1 TIP3 589 -18.248 30.489 12.111 1.00 0.00 WAT1 ATOM 3274 H2 TIP3 589 -17.948 31.495 10.986 1.00 0.00 WAT1 ATOM 3275 OH2 TIP3 590 -10.268 11.674 8.911 1.00 0.00 WAT1 ATOM 3276 H1 TIP3 590 -10.495 12.612 8.732 1.00 0.00 WAT1 ATOM 3277 H2 TIP3 590 -9.460 11.515 8.373 1.00 0.00 WAT1 ATOM 3278 OH2 TIP3 591 -13.668 30.219 14.951 1.00 0.00 WAT1 ATOM 3279 H1 TIP3 591 -13.849 29.342 14.550 1.00 0.00 WAT1 ATOM 3280 H2 TIP3 591 -14.413 30.350 15.578 1.00 0.00 WAT1 ATOM 3281 OH2 TIP3 592 -23.597 23.963 14.502 1.00 0.00 WAT1 ATOM 3282 H1 TIP3 592 -22.668 24.061 14.813 1.00 0.00 WAT1 ATOM 3283 H2 TIP3 592 -24.052 23.512 15.246 1.00 0.00 WAT1 ATOM 3284 OH2 TIP3 593 -19.367 15.372 11.017 1.00 0.00 WAT1 ATOM 3285 H1 TIP3 593 -20.256 15.218 10.635 1.00 0.00 WAT1 ATOM 3286 H2 TIP3 593 -18.854 15.787 10.281 1.00 0.00 WAT1 ATOM 3287 OH2 TIP3 594 -16.234 10.640 13.747 1.00 0.00 WAT1 ATOM 3288 H1 TIP3 594 -16.152 10.132 14.580 1.00 0.00 WAT1 ATOM 3289 H2 TIP3 594 -17.093 11.109 13.836 1.00 0.00 WAT1 ATOM 3290 OH2 TIP3 595 -18.596 20.526 14.289 1.00 0.00 WAT1 ATOM 3291 H1 TIP3 595 -19.352 20.315 13.691 1.00 0.00 WAT1 ATOM 3292 H2 TIP3 595 -17.970 19.793 14.154 1.00 0.00 WAT1 ATOM 3293 OH2 TIP3 596 -22.472 23.031 18.385 1.00 0.00 WAT1 ATOM 3294 H1 TIP3 596 -22.481 24.002 18.320 1.00 0.00 WAT1 ATOM 3295 H2 TIP3 596 -23.177 22.746 17.767 1.00 0.00 WAT1 ATOM 3296 OH2 TIP3 597 -22.002 14.505 10.695 1.00 0.00 WAT1 ATOM 3297 H1 TIP3 597 -21.901 13.543 10.836 1.00 0.00 WAT1 ATOM 3298 H2 TIP3 597 -22.478 14.572 9.839 1.00 0.00 WAT1 ATOM 3299 OH2 TIP3 598 -26.322 16.619 1.667 1.00 0.00 WAT1 ATOM 3300 H1 TIP3 598 -25.516 17.050 1.315 1.00 0.00 WAT1 ATOM 3301 H2 TIP3 598 -26.207 16.658 2.637 1.00 0.00 WAT1 ATOM 3302 OH2 TIP3 599 -13.741 29.132 18.349 1.00 0.00 WAT1 ATOM 3303 H1 TIP3 599 -14.531 29.388 17.836 1.00 0.00 WAT1 ATOM 3304 H2 TIP3 599 -13.093 29.842 18.156 1.00 0.00 WAT1 ATOM 3305 OH2 TIP3 600 -19.964 24.026 19.192 1.00 0.00 WAT1 ATOM 3306 H1 TIP3 600 -19.625 24.379 18.332 1.00 0.00 WAT1 ATOM 3307 H2 TIP3 600 -20.748 23.509 18.944 1.00 0.00 WAT1 ATOM 3308 OH2 TIP3 601 -19.400 14.411 14.827 1.00 0.00 WAT1 ATOM 3309 H1 TIP3 601 -20.045 14.974 14.362 1.00 0.00 WAT1 ATOM 3310 H2 TIP3 601 -19.198 14.897 15.633 1.00 0.00 WAT1 ATOM 3311 OH2 TIP3 602 -22.911 16.001 15.353 1.00 0.00 WAT1 ATOM 3312 H1 TIP3 602 -22.523 15.460 14.655 1.00 0.00 WAT1 ATOM 3313 H2 TIP3 602 -22.450 16.856 15.276 1.00 0.00 WAT1 ATOM 3314 OH2 TIP3 603 -27.194 20.752 17.326 1.00 0.00 WAT1 ATOM 3315 H1 TIP3 603 -27.858 21.344 16.906 1.00 0.00 WAT1 ATOM 3316 H2 TIP3 603 -27.724 20.133 17.840 1.00 0.00 WAT1 ATOM 3317 OH2 TIP3 604 -8.233 18.639 4.837 1.00 0.00 WAT1 ATOM 3318 H1 TIP3 604 -7.476 18.664 4.207 1.00 0.00 WAT1 ATOM 3319 H2 TIP3 604 -7.829 18.386 5.692 1.00 0.00 WAT1 ATOM 3320 OH2 TIP3 605 -9.647 25.844 17.813 1.00 0.00 WAT1 ATOM 3321 H1 TIP3 605 -10.568 26.175 17.769 1.00 0.00 WAT1 ATOM 3322 H2 TIP3 605 -9.282 26.044 16.948 1.00 0.00 WAT1 ATOM 3323 OH2 TIP3 606 -13.803 26.124 15.793 1.00 0.00 WAT1 ATOM 3324 H1 TIP3 606 -14.134 25.377 15.271 1.00 0.00 WAT1 ATOM 3325 H2 TIP3 606 -14.028 26.905 15.256 1.00 0.00 WAT1 ATOM 3326 OH2 TIP3 607 -18.676 12.017 13.675 1.00 0.00 WAT1 ATOM 3327 H1 TIP3 607 -18.634 12.277 12.728 1.00 0.00 WAT1 ATOM 3328 H2 TIP3 607 -18.833 12.865 14.151 1.00 0.00 WAT1 ATOM 3329 OH2 TIP3 608 -12.711 26.109 12.606 1.00 0.00 WAT1 ATOM 3330 H1 TIP3 608 -11.788 25.973 12.905 1.00 0.00 WAT1 ATOM 3331 H2 TIP3 608 -12.839 25.429 11.931 1.00 0.00 WAT1 ATOM 3332 OH2 TIP3 609 -21.050 15.934 13.051 1.00 0.00 WAT1 ATOM 3333 H1 TIP3 609 -21.709 15.606 12.408 1.00 0.00 WAT1 ATOM 3334 H2 TIP3 609 -20.201 15.886 12.557 1.00 0.00 WAT1 ATOM 3335 OH2 TIP3 610 -27.272 28.338 15.346 1.00 0.00 WAT1 ATOM 3336 H1 TIP3 610 -27.076 27.397 15.240 1.00 0.00 WAT1 ATOM 3337 H2 TIP3 610 -27.815 28.381 16.154 1.00 0.00 WAT1 ATOM 3338 OH2 TIP3 611 -21.992 25.725 17.372 1.00 0.00 WAT1 ATOM 3339 H1 TIP3 611 -21.152 26.126 17.712 1.00 0.00 WAT1 ATOM 3340 H2 TIP3 611 -21.693 25.119 16.664 1.00 0.00 WAT1 ATOM 3341 OH2 TIP3 612 -27.340 24.767 16.890 1.00 0.00 WAT1 ATOM 3342 H1 TIP3 612 -26.642 24.781 17.575 1.00 0.00 WAT1 ATOM 3343 H2 TIP3 612 -27.915 25.531 17.125 1.00 0.00 WAT1 ATOM 3344 OH2 TIP3 613 -24.727 19.677 16.776 1.00 0.00 WAT1 ATOM 3345 H1 TIP3 613 -25.630 20.014 16.971 1.00 0.00 WAT1 ATOM 3346 H2 TIP3 613 -24.847 18.698 16.715 1.00 0.00 WAT1 ATOM 3347 OH2 TIP3 614 -21.568 20.622 19.572 1.00 0.00 WAT1 ATOM 3348 H1 TIP3 614 -21.879 20.019 18.863 1.00 0.00 WAT1 ATOM 3349 H2 TIP3 614 -21.948 21.494 19.325 1.00 0.00 WAT1 ATOM 3350 OH2 TIP3 615 -25.096 17.013 16.627 1.00 0.00 WAT1 ATOM 3351 H1 TIP3 615 -25.674 16.279 16.844 1.00 0.00 WAT1 ATOM 3352 H2 TIP3 615 -24.319 16.590 16.200 1.00 0.00 WAT1 ATOM 3353 OH2 TIP3 616 -20.797 20.338 22.375 1.00 0.00 WAT1 ATOM 3354 H1 TIP3 616 -21.653 20.202 22.795 1.00 0.00 WAT1 ATOM 3355 H2 TIP3 616 -21.006 20.403 21.423 1.00 0.00 WAT1 ATOM 3356 OH2 TIP3 617 -11.345 19.334 27.096 1.00 0.00 WAT1 ATOM 3357 H1 TIP3 617 -11.953 19.189 27.827 1.00 0.00 WAT1 ATOM 3358 H2 TIP3 617 -11.929 19.503 26.326 1.00 0.00 WAT1 ATOM 3359 OH2 TIP3 618 -18.404 15.109 26.356 1.00 0.00 WAT1 ATOM 3360 H1 TIP3 618 -18.996 14.527 25.871 1.00 0.00 WAT1 ATOM 3361 H2 TIP3 618 -18.952 15.901 26.553 1.00 0.00 WAT1 ATOM 3362 OH2 TIP3 619 -10.393 31.599 10.842 1.00 0.00 WAT1 ATOM 3363 H1 TIP3 619 -11.075 31.618 11.552 1.00 0.00 WAT1 ATOM 3364 H2 TIP3 619 -10.892 31.795 10.027 1.00 0.00 WAT1 ATOM 3365 OH2 TIP3 620 -12.476 31.250 12.592 1.00 0.00 WAT1 ATOM 3366 H1 TIP3 620 -13.251 31.229 11.998 1.00 0.00 WAT1 ATOM 3367 H2 TIP3 620 -12.828 30.950 13.453 1.00 0.00 WAT1 ATOM 3368 OH2 TIP3 621 -12.079 23.887 21.480 1.00 0.00 WAT1 ATOM 3369 H1 TIP3 621 -11.558 24.608 21.058 1.00 0.00 WAT1 ATOM 3370 H2 TIP3 621 -11.581 23.674 22.282 1.00 0.00 WAT1 ATOM 3371 OH2 TIP3 622 -10.249 22.391 7.528 1.00 0.00 WAT1 ATOM 3372 H1 TIP3 622 -10.655 23.009 6.887 1.00 0.00 WAT1 ATOM 3373 H2 TIP3 622 -9.473 22.033 7.049 1.00 0.00 WAT1 ATOM 3374 OH2 TIP3 623 -9.819 20.673 9.620 1.00 0.00 WAT1 ATOM 3375 H1 TIP3 623 -10.263 20.928 10.455 1.00 0.00 WAT1 ATOM 3376 H2 TIP3 623 -10.135 21.339 8.964 1.00 0.00 WAT1 ATOM 3377 OH2 TIP3 624 -5.211 18.565 18.747 1.00 0.00 WAT1 ATOM 3378 H1 TIP3 624 -5.999 19.013 19.073 1.00 0.00 WAT1 ATOM 3379 H2 TIP3 624 -4.697 18.363 19.555 1.00 0.00 WAT1 ATOM 3380 OH2 TIP3 625 -13.413 15.716 2.562 1.00 0.00 WAT1 ATOM 3381 H1 TIP3 625 -13.327 15.777 1.591 1.00 0.00 WAT1 ATOM 3382 H2 TIP3 625 -14.360 15.638 2.712 1.00 0.00 WAT1 ATOM 3383 OH2 TIP3 626 -10.177 16.546 19.941 1.00 0.00 WAT1 ATOM 3384 H1 TIP3 626 -10.193 16.725 18.970 1.00 0.00 WAT1 ATOM 3385 H2 TIP3 626 -9.702 15.691 20.017 1.00 0.00 WAT1 ATOM 3386 OH2 TIP3 627 -11.295 16.040 10.101 1.00 0.00 WAT1 ATOM 3387 H1 TIP3 627 -10.900 16.813 9.643 1.00 0.00 WAT1 ATOM 3388 H2 TIP3 627 -10.923 16.079 10.989 1.00 0.00 WAT1 ATOM 3389 OH2 TIP3 628 -21.407 18.224 14.582 1.00 0.00 WAT1 ATOM 3390 H1 TIP3 628 -21.234 17.466 13.982 1.00 0.00 WAT1 ATOM 3391 H2 TIP3 628 -21.324 19.008 14.001 1.00 0.00 WAT1 ATOM 3392 OH2 TIP3 629 -23.034 21.896 12.713 1.00 0.00 WAT1 ATOM 3393 H1 TIP3 629 -23.208 22.623 13.346 1.00 0.00 WAT1 ATOM 3394 H2 TIP3 629 -23.845 21.834 12.196 1.00 0.00 WAT1 ATOM 3395 OH2 TIP3 630 -25.581 16.647 4.402 1.00 0.00 WAT1 ATOM 3396 H1 TIP3 630 -24.648 16.781 4.659 1.00 0.00 WAT1 ATOM 3397 H2 TIP3 630 -26.090 17.015 5.156 1.00 0.00 WAT1 ATOM 3398 OH2 TIP3 631 -22.487 27.311 15.076 1.00 0.00 WAT1 ATOM 3399 H1 TIP3 631 -22.113 28.175 15.296 1.00 0.00 WAT1 ATOM 3400 H2 TIP3 631 -22.403 26.796 15.901 1.00 0.00 WAT1 ATOM 3401 OH2 TIP3 632 -14.499 27.892 13.706 1.00 0.00 WAT1 ATOM 3402 H1 TIP3 632 -15.029 28.201 12.960 1.00 0.00 WAT1 ATOM 3403 H2 TIP3 632 -13.835 27.284 13.296 1.00 0.00 WAT1 ATOM 3404 OH2 TIP3 633 -16.870 12.669 8.994 1.00 0.00 WAT1 ATOM 3405 H1 TIP3 633 -16.263 13.163 8.415 1.00 0.00 WAT1 ATOM 3406 H2 TIP3 633 -17.253 11.984 8.405 1.00 0.00 WAT1 ATOM 3407 OH2 TIP3 634 -23.045 14.155 8.114 1.00 0.00 WAT1 ATOM 3408 H1 TIP3 634 -23.272 13.213 8.262 1.00 0.00 WAT1 ATOM 3409 H2 TIP3 634 -23.893 14.563 7.807 1.00 0.00 WAT1 ATOM 3410 OH2 TIP3 635 -23.402 13.331 4.863 1.00 0.00 WAT1 ATOM 3411 H1 TIP3 635 -23.248 12.497 4.376 1.00 0.00 WAT1 ATOM 3412 H2 TIP3 635 -24.312 13.587 4.613 1.00 0.00 WAT1 ATOM 3413 OH2 TIP3 636 -10.835 14.253 8.141 1.00 0.00 WAT1 ATOM 3414 H1 TIP3 636 -10.078 14.722 7.767 1.00 0.00 WAT1 ATOM 3415 H2 TIP3 636 -11.143 14.840 8.875 1.00 0.00 WAT1 ATOM 3416 OH2 TIP3 637 -20.702 13.055 3.489 1.00 0.00 WAT1 ATOM 3417 H1 TIP3 637 -20.222 13.558 2.789 1.00 0.00 WAT1 ATOM 3418 H2 TIP3 637 -21.382 12.558 3.003 1.00 0.00 WAT1 ATOM 3419 OH2 TIP3 638 -16.215 7.191 18.050 1.00 0.00 WAT1 ATOM 3420 H1 TIP3 638 -15.306 7.495 18.296 1.00 0.00 WAT1 ATOM 3421 H2 TIP3 638 -16.644 7.020 18.895 1.00 0.00 WAT1 ATOM 3422 OH2 TIP3 639 -12.286 26.790 18.068 1.00 0.00 WAT1 ATOM 3423 H1 TIP3 639 -12.787 26.450 17.294 1.00 0.00 WAT1 ATOM 3424 H2 TIP3 639 -12.769 27.610 18.319 1.00 0.00 WAT1 ATOM 3425 OH2 TIP3 640 -15.139 21.638 21.910 1.00 0.00 WAT1 ATOM 3426 H1 TIP3 640 -15.504 22.451 22.316 1.00 0.00 WAT1 ATOM 3427 H2 TIP3 640 -15.194 20.970 22.624 1.00 0.00 WAT1 ATOM 3428 OH2 TIP3 641 -12.452 19.661 24.600 1.00 0.00 WAT1 ATOM 3429 H1 TIP3 641 -11.802 20.321 24.271 1.00 0.00 WAT1 ATOM 3430 H2 TIP3 641 -12.278 18.870 24.065 1.00 0.00 WAT1 ATOM 3431 OH2 TIP3 642 -13.071 21.819 20.035 1.00 0.00 WAT1 ATOM 3432 H1 TIP3 642 -13.885 21.593 20.538 1.00 0.00 WAT1 ATOM 3433 H2 TIP3 642 -12.729 22.621 20.491 1.00 0.00 WAT1 ATOM 3434 OH2 TIP3 643 -9.107 13.149 22.426 1.00 0.00 WAT1 ATOM 3435 H1 TIP3 643 -9.065 14.058 22.807 1.00 0.00 WAT1 ATOM 3436 H2 TIP3 643 -9.935 12.793 22.761 1.00 0.00 WAT1 ATOM 3437 OH2 TIP3 644 -10.748 25.977 20.348 1.00 0.00 WAT1 ATOM 3438 H1 TIP3 644 -11.450 26.347 19.776 1.00 0.00 WAT1 ATOM 3439 H2 TIP3 644 -9.981 25.892 19.747 1.00 0.00 WAT1 ATOM 3440 OH2 TIP3 645 -18.046 31.297 20.246 1.00 0.00 WAT1 ATOM 3441 H1 TIP3 645 -17.539 30.600 20.695 1.00 0.00 WAT1 ATOM 3442 H2 TIP3 645 -18.900 31.318 20.722 1.00 0.00 WAT1 ATOM 3443 OH2 TIP3 646 -15.816 15.719 26.770 1.00 0.00 WAT1 ATOM 3444 H1 TIP3 646 -16.739 15.442 26.546 1.00 0.00 WAT1 ATOM 3445 H2 TIP3 646 -15.517 15.053 27.397 1.00 0.00 WAT1 ATOM 3446 OH2 TIP3 647 -15.147 19.841 24.160 1.00 0.00 WAT1 ATOM 3447 H1 TIP3 647 -15.233 18.863 24.223 1.00 0.00 WAT1 ATOM 3448 H2 TIP3 647 -14.216 20.010 24.414 1.00 0.00 WAT1 ATOM 3449 OH2 TIP3 648 -19.783 17.406 26.910 1.00 0.00 WAT1 ATOM 3450 H1 TIP3 648 -19.882 17.979 26.110 1.00 0.00 WAT1 ATOM 3451 H2 TIP3 648 -20.423 17.764 27.536 1.00 0.00 WAT1 ATOM 3452 OH2 TIP3 649 -26.206 19.724 32.984 1.00 0.00 WAT1 ATOM 3453 H1 TIP3 649 -26.822 19.332 33.602 1.00 0.00 WAT1 ATOM 3454 H2 TIP3 649 -26.598 20.567 32.756 1.00 0.00 WAT1 ATOM 3455 OH2 TIP3 650 -18.330 22.286 24.088 1.00 0.00 WAT1 ATOM 3456 H1 TIP3 650 -19.115 21.900 23.685 1.00 0.00 WAT1 ATOM 3457 H2 TIP3 650 -18.049 21.622 24.754 1.00 0.00 WAT1 ATOM 3458 OH2 TIP3 651 -16.248 23.874 23.270 1.00 0.00 WAT1 ATOM 3459 H1 TIP3 651 -17.024 23.367 23.607 1.00 0.00 WAT1 ATOM 3460 H2 TIP3 651 -15.881 24.312 24.070 1.00 0.00 WAT1 ATOM 3461 OH2 TIP3 652 -14.879 17.146 24.587 1.00 0.00 WAT1 ATOM 3462 H1 TIP3 652 -14.354 16.492 24.117 1.00 0.00 WAT1 ATOM 3463 H2 TIP3 652 -15.201 16.672 25.382 1.00 0.00 WAT1 ATOM 3464 OH2 TIP3 653 -9.270 19.216 25.291 1.00 0.00 WAT1 ATOM 3465 H1 TIP3 653 -9.907 19.394 26.021 1.00 0.00 WAT1 ATOM 3466 H2 TIP3 653 -9.020 18.293 25.421 1.00 0.00 WAT1 ATOM 3467 OH2 TIP3 654 -16.237 26.214 21.747 1.00 0.00 WAT1 ATOM 3468 H1 TIP3 654 -17.046 26.180 21.190 1.00 0.00 WAT1 ATOM 3469 H2 TIP3 654 -16.277 25.383 22.272 1.00 0.00 WAT1 ATOM 3470 OH2 TIP3 655 -7.758 18.174 23.047 1.00 0.00 WAT1 ATOM 3471 H1 TIP3 655 -8.153 18.766 23.709 1.00 0.00 WAT1 ATOM 3472 H2 TIP3 655 -8.120 18.497 22.187 1.00 0.00 WAT1 ATOM 3473 OH2 TIP3 656 -16.352 28.983 21.224 1.00 0.00 WAT1 ATOM 3474 H1 TIP3 656 -15.590 29.180 20.661 1.00 0.00 WAT1 ATOM 3475 H2 TIP3 656 -16.188 28.067 21.536 1.00 0.00 WAT1 ATOM 3476 OH2 TIP3 657 -10.380 21.234 23.767 1.00 0.00 WAT1 ATOM 3477 H1 TIP3 657 -9.788 20.641 24.278 1.00 0.00 WAT1 ATOM 3478 H2 TIP3 657 -10.047 22.141 23.971 1.00 0.00 WAT1 ATOM 3479 OH2 TIP3 658 -23.418 25.787 23.686 1.00 0.00 WAT1 ATOM 3480 H1 TIP3 658 -22.731 26.291 23.239 1.00 0.00 WAT1 ATOM 3481 H2 TIP3 658 -24.067 25.592 22.989 1.00 0.00 WAT1 ATOM 3482 OH2 TIP3 659 -17.112 18.156 27.480 1.00 0.00 WAT1 ATOM 3483 H1 TIP3 659 -18.013 17.795 27.414 1.00 0.00 WAT1 ATOM 3484 H2 TIP3 659 -16.534 17.395 27.293 1.00 0.00 WAT1 ATOM 3485 OH2 TIP3 660 -18.638 26.085 20.369 1.00 0.00 WAT1 ATOM 3486 H1 TIP3 660 -19.066 25.204 20.350 1.00 0.00 WAT1 ATOM 3487 H2 TIP3 660 -18.858 26.469 19.487 1.00 0.00 WAT1 ATOM 3488 OH2 TIP3 661 -17.458 20.176 25.632 1.00 0.00 WAT1 ATOM 3489 H1 TIP3 661 -16.615 20.164 25.125 1.00 0.00 WAT1 ATOM 3490 H2 TIP3 661 -17.272 19.607 26.414 1.00 0.00 WAT1 ATOM 3491 OH2 TIP3 662 -19.064 28.616 21.347 1.00 0.00 WAT1 ATOM 3492 H1 TIP3 662 -19.144 27.656 21.163 1.00 0.00 WAT1 ATOM 3493 H2 TIP3 662 -18.096 28.760 21.427 1.00 0.00 WAT1 ATOM 3494 OH2 TIP3 663 -25.447 24.480 21.977 1.00 0.00 WAT1 ATOM 3495 H1 TIP3 663 -25.959 24.379 22.818 1.00 0.00 WAT1 ATOM 3496 H2 TIP3 663 -24.925 23.671 21.924 1.00 0.00 WAT1 ATOM 3497 OH2 TIP3 664 -13.597 25.879 22.773 1.00 0.00 WAT1 ATOM 3498 H1 TIP3 664 -13.320 25.091 22.267 1.00 0.00 WAT1 ATOM 3499 H2 TIP3 664 -14.430 26.158 22.340 1.00 0.00 WAT1 ATOM 3500 OH2 TIP3 665 -26.505 23.952 24.435 1.00 0.00 WAT1 ATOM 3501 H1 TIP3 665 -25.724 24.079 25.027 1.00 0.00 WAT1 ATOM 3502 H2 TIP3 665 -27.222 23.737 25.038 1.00 0.00 WAT1 ATOM 3503 OH2 TIP3 666 -24.246 24.384 25.879 1.00 0.00 WAT1 ATOM 3504 H1 TIP3 666 -23.876 24.959 25.171 1.00 0.00 WAT1 ATOM 3505 H2 TIP3 666 -23.534 24.310 26.518 1.00 0.00 WAT1 ATOM 3506 OH2 TIP3 667 -11.637 22.248 17.460 1.00 0.00 WAT1 ATOM 3507 H1 TIP3 667 -12.167 21.956 18.226 1.00 0.00 WAT1 ATOM 3508 H2 TIP3 667 -10.990 22.855 17.838 1.00 0.00 WAT1 ATOM 3509 OH2 TIP3 668 -14.967 25.487 25.132 1.00 0.00 WAT1 ATOM 3510 H1 TIP3 668 -14.726 26.080 25.847 1.00 0.00 WAT1 ATOM 3511 H2 TIP3 668 -14.354 25.722 24.406 1.00 0.00 WAT1 ATOM 3512 OH2 TIP3 669 -9.507 23.756 24.271 1.00 0.00 WAT1 ATOM 3513 H1 TIP3 669 -8.840 24.100 24.872 1.00 0.00 WAT1 ATOM 3514 H2 TIP3 669 -9.930 24.562 23.896 1.00 0.00 WAT1 ATOM 3515 OH2 TIP3 670 -11.296 20.109 21.438 1.00 0.00 WAT1 ATOM 3516 H1 TIP3 670 -11.920 20.677 20.941 1.00 0.00 WAT1 ATOM 3517 H2 TIP3 670 -11.026 20.660 22.206 1.00 0.00 WAT1 ATOM 3518 OH2 TIP3 671 -11.328 17.494 22.299 1.00 0.00 WAT1 ATOM 3519 H1 TIP3 671 -11.081 17.019 21.478 1.00 0.00 WAT1 ATOM 3520 H2 TIP3 671 -11.385 18.430 22.021 1.00 0.00 WAT1 ATOM 3521 OH2 TIP3 672 -9.309 15.769 23.232 1.00 0.00 WAT1 ATOM 3522 H1 TIP3 672 -10.085 16.333 23.041 1.00 0.00 WAT1 ATOM 3523 H2 TIP3 672 -8.551 16.377 23.153 1.00 0.00 WAT1 ATOM 3524 OH2 TIP3 673 -19.843 19.154 24.811 1.00 0.00 WAT1 ATOM 3525 H1 TIP3 673 -18.995 19.558 25.103 1.00 0.00 WAT1 ATOM 3526 H2 TIP3 673 -19.969 19.493 23.906 1.00 0.00 WAT1 ATOM 3527 OH2 TIP3 674 -20.175 29.355 18.667 1.00 0.00 WAT1 ATOM 3528 H1 TIP3 674 -19.986 28.474 18.264 1.00 0.00 WAT1 ATOM 3529 H2 TIP3 674 -19.768 29.303 19.546 1.00 0.00 WAT1 ATOM 3530 OH2 TIP3 675 -20.441 30.935 21.721 1.00 0.00 WAT1 ATOM 3531 H1 TIP3 675 -20.062 30.027 21.732 1.00 0.00 WAT1 ATOM 3532 H2 TIP3 675 -20.757 31.072 22.620 1.00 0.00 WAT1 ATOM 3533 OH2 TIP3 676 -25.579 40.884 -40.742 1.00 0.00 WAT1 ATOM 3534 H1 TIP3 676 -26.413 41.040 -40.258 1.00 0.00 WAT1 ATOM 3535 H2 TIP3 676 -24.912 40.752 -40.032 1.00 0.00 WAT1 ATOM 3536 OH2 TIP3 677 -25.101 45.784 -39.935 1.00 0.00 WAT1 ATOM 3537 H1 TIP3 677 -25.722 45.056 -39.671 1.00 0.00 WAT1 ATOM 3538 H2 TIP3 677 -24.441 45.807 -39.214 1.00 0.00 WAT1 ATOM 3539 OH2 TIP3 678 -27.311 44.155 -43.755 1.00 0.00 WAT1 ATOM 3540 H1 TIP3 678 -27.425 44.428 -44.689 1.00 0.00 WAT1 ATOM 3541 H2 TIP3 678 -26.699 44.823 -43.382 1.00 0.00 WAT1 ATOM 3542 OH2 TIP3 679 -23.184 43.266 -39.179 1.00 0.00 WAT1 ATOM 3543 H1 TIP3 679 -23.492 43.291 -40.090 1.00 0.00 WAT1 ATOM 3544 H2 TIP3 679 -23.380 42.351 -38.885 1.00 0.00 WAT1 ATOM 3545 OH2 TIP3 680 -27.834 45.028 -46.471 1.00 0.00 WAT1 ATOM 3546 H1 TIP3 680 -28.111 45.729 -47.096 1.00 0.00 WAT1 ATOM 3547 H2 TIP3 680 -28.006 44.194 -46.959 1.00 0.00 WAT1 ATOM 3548 OH2 TIP3 681 -27.327 37.991 -37.809 1.00 0.00 WAT1 ATOM 3549 H1 TIP3 681 -26.642 37.634 -37.238 1.00 0.00 WAT1 ATOM 3550 H2 TIP3 681 -27.299 37.411 -38.609 1.00 0.00 WAT1 ATOM 3551 OH2 TIP3 682 -28.227 48.837 -46.420 1.00 0.00 WAT1 ATOM 3552 H1 TIP3 682 -27.472 49.098 -46.954 1.00 0.00 WAT1 ATOM 3553 H2 TIP3 682 -28.635 48.100 -46.925 1.00 0.00 WAT1 ATOM 3554 OH2 TIP3 683 -26.459 43.554 -36.016 1.00 0.00 WAT1 ATOM 3555 H1 TIP3 683 -26.239 44.338 -35.477 1.00 0.00 WAT1 ATOM 3556 H2 TIP3 683 -27.349 43.746 -36.369 1.00 0.00 WAT1 ATOM 3557 OH2 TIP3 684 -25.326 41.125 -36.357 1.00 0.00 WAT1 ATOM 3558 H1 TIP3 684 -25.611 42.065 -36.267 1.00 0.00 WAT1 ATOM 3559 H2 TIP3 684 -25.990 40.628 -35.843 1.00 0.00 WAT1 ATOM 3560 OH2 TIP3 685 -25.707 38.902 -42.642 1.00 0.00 WAT1 ATOM 3561 H1 TIP3 685 -26.395 39.315 -43.180 1.00 0.00 WAT1 ATOM 3562 H2 TIP3 685 -25.550 39.544 -41.921 1.00 0.00 WAT1 ATOM 3563 OH2 TIP3 686 -26.996 43.984 -39.413 1.00 0.00 WAT1 ATOM 3564 H1 TIP3 686 -27.897 44.241 -39.671 1.00 0.00 WAT1 ATOM 3565 H2 TIP3 686 -27.077 43.050 -39.172 1.00 0.00 WAT1 ATOM 3566 OH2 TIP3 687 -23.158 45.635 -37.886 1.00 0.00 WAT1 ATOM 3567 H1 TIP3 687 -23.181 44.702 -38.213 1.00 0.00 WAT1 ATOM 3568 H2 TIP3 687 -22.219 45.838 -37.824 1.00 0.00 WAT1 ATOM 3569 OH2 TIP3 688 -29.310 46.878 -47.985 1.00 0.00 WAT1 ATOM 3570 H1 TIP3 688 -29.960 46.141 -47.988 1.00 0.00 WAT1 ATOM 3571 H2 TIP3 688 -29.775 47.607 -48.457 1.00 0.00 WAT1 ATOM 3572 OH2 TIP3 689 -27.256 47.930 -36.670 1.00 0.00 WAT1 ATOM 3573 H1 TIP3 689 -26.322 47.657 -36.564 1.00 0.00 WAT1 ATOM 3574 H2 TIP3 689 -27.464 47.715 -37.609 1.00 0.00 WAT1 ATOM 3575 OH2 TIP3 690 -27.670 40.347 -35.073 1.00 0.00 WAT1 ATOM 3576 H1 TIP3 690 -28.021 41.190 -34.735 1.00 0.00 WAT1 ATOM 3577 H2 TIP3 690 -28.164 40.199 -35.904 1.00 0.00 WAT1 ATOM 3578 OH2 TIP3 691 -23.915 40.681 -38.569 1.00 0.00 WAT1 ATOM 3579 H1 TIP3 691 -23.326 39.974 -38.287 1.00 0.00 WAT1 ATOM 3580 H2 TIP3 691 -24.476 40.860 -37.769 1.00 0.00 WAT1 ATOM 3581 OH2 TIP3 692 -29.493 49.746 -44.187 1.00 0.00 WAT1 ATOM 3582 H1 TIP3 692 -29.063 49.510 -45.044 1.00 0.00 WAT1 ATOM 3583 H2 TIP3 692 -28.975 49.253 -43.526 1.00 0.00 WAT1 ATOM 3584 OH2 TIP3 693 -29.308 46.403 -44.577 1.00 0.00 WAT1 ATOM 3585 H1 TIP3 693 -28.759 46.009 -45.286 1.00 0.00 WAT1 ATOM 3586 H2 TIP3 693 -28.704 47.038 -44.131 1.00 0.00 WAT1 ATOM 3587 OH2 TIP3 694 -27.422 41.519 -42.853 1.00 0.00 WAT1 ATOM 3588 H1 TIP3 694 -27.429 42.422 -43.241 1.00 0.00 WAT1 ATOM 3589 H2 TIP3 694 -26.636 41.512 -42.280 1.00 0.00 WAT1 ATOM 3590 OH2 TIP3 695 -25.538 36.253 -42.126 1.00 0.00 WAT1 ATOM 3591 H1 TIP3 695 -25.557 37.220 -42.327 1.00 0.00 WAT1 ATOM 3592 H2 TIP3 695 -24.791 35.921 -42.631 1.00 0.00 WAT1 ATOM 3593 OH2 TIP3 696 -24.680 47.154 -36.202 1.00 0.00 WAT1 ATOM 3594 H1 TIP3 696 -24.981 46.523 -35.510 1.00 0.00 WAT1 ATOM 3595 H2 TIP3 696 -24.142 46.602 -36.813 1.00 0.00 WAT1 ATOM 3596 OH2 TIP3 697 -27.254 47.389 -39.316 1.00 0.00 WAT1 ATOM 3597 H1 TIP3 697 -26.470 46.861 -39.563 1.00 0.00 WAT1 ATOM 3598 H2 TIP3 697 -27.263 48.121 -39.964 1.00 0.00 WAT1 ATOM 3599 OH2 TIP3 698 -27.628 47.920 -43.030 1.00 0.00 WAT1 ATOM 3600 H1 TIP3 698 -27.409 48.575 -42.330 1.00 0.00 WAT1 ATOM 3601 H2 TIP3 698 -26.916 47.251 -42.959 1.00 0.00 WAT1 ATOM 3602 OH2 TIP3 699 -25.640 46.074 -42.586 1.00 0.00 WAT1 ATOM 3603 H1 TIP3 699 -25.498 45.965 -41.614 1.00 0.00 WAT1 ATOM 3604 H2 TIP3 699 -24.756 46.230 -42.935 1.00 0.00 WAT1 ATOM 3605 OH2 TIP3 700 -24.289 40.489 -24.343 1.00 0.00 WAT1 ATOM 3606 H1 TIP3 700 -24.206 39.852 -23.605 1.00 0.00 WAT1 ATOM 3607 H2 TIP3 700 -25.188 40.341 -24.687 1.00 0.00 WAT1 ATOM 3608 OH2 TIP3 701 -27.944 41.244 -29.098 1.00 0.00 WAT1 ATOM 3609 H1 TIP3 701 -28.053 41.067 -30.053 1.00 0.00 WAT1 ATOM 3610 H2 TIP3 701 -27.089 41.728 -29.043 1.00 0.00 WAT1 ATOM 3611 OH2 TIP3 702 -20.943 44.428 -22.949 1.00 0.00 WAT1 ATOM 3612 H1 TIP3 702 -20.297 45.067 -22.594 1.00 0.00 WAT1 ATOM 3613 H2 TIP3 702 -21.120 44.748 -23.862 1.00 0.00 WAT1 ATOM 3614 OH2 TIP3 703 -23.158 42.570 -22.902 1.00 0.00 WAT1 ATOM 3615 H1 TIP3 703 -23.443 41.871 -23.533 1.00 0.00 WAT1 ATOM 3616 H2 TIP3 703 -22.267 42.815 -23.204 1.00 0.00 WAT1 ATOM 3617 OH2 TIP3 704 -25.693 42.791 -29.228 1.00 0.00 WAT1 ATOM 3618 H1 TIP3 704 -24.802 42.967 -28.905 1.00 0.00 WAT1 ATOM 3619 H2 TIP3 704 -25.981 43.641 -29.617 1.00 0.00 WAT1 ATOM 3620 OH2 TIP3 705 -18.873 45.905 -26.757 1.00 0.00 WAT1 ATOM 3621 H1 TIP3 705 -18.119 46.221 -27.268 1.00 0.00 WAT1 ATOM 3622 H2 TIP3 705 -18.858 46.460 -25.939 1.00 0.00 WAT1 ATOM 3623 OH2 TIP3 706 -19.564 43.328 -27.558 1.00 0.00 WAT1 ATOM 3624 H1 TIP3 706 -19.297 44.228 -27.277 1.00 0.00 WAT1 ATOM 3625 H2 TIP3 706 -18.745 42.918 -27.848 1.00 0.00 WAT1 ATOM 3626 OH2 TIP3 707 -20.578 45.995 -19.476 1.00 0.00 WAT1 ATOM 3627 H1 TIP3 707 -19.958 46.077 -20.236 1.00 0.00 WAT1 ATOM 3628 H2 TIP3 707 -20.091 46.397 -18.725 1.00 0.00 WAT1 ATOM 3629 OH2 TIP3 708 -24.481 39.895 -19.610 1.00 0.00 WAT1 ATOM 3630 H1 TIP3 708 -24.237 39.575 -20.501 1.00 0.00 WAT1 ATOM 3631 H2 TIP3 708 -23.981 39.315 -19.002 1.00 0.00 WAT1 ATOM 3632 OH2 TIP3 709 -17.550 50.310 -19.851 1.00 0.00 WAT1 ATOM 3633 H1 TIP3 709 -16.758 50.859 -19.891 1.00 0.00 WAT1 ATOM 3634 H2 TIP3 709 -18.230 50.829 -20.346 1.00 0.00 WAT1 ATOM 3635 OH2 TIP3 710 -21.048 48.220 -26.452 1.00 0.00 WAT1 ATOM 3636 H1 TIP3 710 -21.936 47.799 -26.435 1.00 0.00 WAT1 ATOM 3637 H2 TIP3 710 -20.658 47.912 -27.278 1.00 0.00 WAT1 ATOM 3638 OH2 TIP3 711 -12.014 36.295 -18.688 1.00 0.00 WAT1 ATOM 3639 H1 TIP3 711 -12.503 37.015 -19.098 1.00 0.00 WAT1 ATOM 3640 H2 TIP3 711 -11.864 35.653 -19.430 1.00 0.00 WAT1 ATOM 3641 OH2 TIP3 712 -24.579 35.950 -21.659 1.00 0.00 WAT1 ATOM 3642 H1 TIP3 712 -25.499 35.749 -21.435 1.00 0.00 WAT1 ATOM 3643 H2 TIP3 712 -24.341 35.281 -22.311 1.00 0.00 WAT1 ATOM 3644 OH2 TIP3 713 -24.584 43.469 -14.977 1.00 0.00 WAT1 ATOM 3645 H1 TIP3 713 -24.382 43.034 -14.124 1.00 0.00 WAT1 ATOM 3646 H2 TIP3 713 -24.534 42.758 -15.622 1.00 0.00 WAT1 ATOM 3647 OH2 TIP3 714 -21.421 45.155 -25.559 1.00 0.00 WAT1 ATOM 3648 H1 TIP3 714 -20.628 45.405 -26.063 1.00 0.00 WAT1 ATOM 3649 H2 TIP3 714 -21.814 44.420 -26.078 1.00 0.00 WAT1 ATOM 3650 OH2 TIP3 715 -24.492 38.708 -22.131 1.00 0.00 WAT1 ATOM 3651 H1 TIP3 715 -24.365 37.752 -21.976 1.00 0.00 WAT1 ATOM 3652 H2 TIP3 715 -25.467 38.814 -22.193 1.00 0.00 WAT1 ATOM 3653 OH2 TIP3 716 -22.237 43.012 -27.096 1.00 0.00 WAT1 ATOM 3654 H1 TIP3 716 -21.289 42.989 -27.363 1.00 0.00 WAT1 ATOM 3655 H2 TIP3 716 -22.438 42.100 -26.858 1.00 0.00 WAT1 ATOM 3656 OH2 TIP3 717 -19.115 46.255 -21.791 1.00 0.00 WAT1 ATOM 3657 H1 TIP3 717 -18.306 45.869 -22.149 1.00 0.00 WAT1 ATOM 3658 H2 TIP3 717 -19.037 47.212 -22.001 1.00 0.00 WAT1 ATOM 3659 OH2 TIP3 718 -23.626 47.238 -26.888 1.00 0.00 WAT1 ATOM 3660 H1 TIP3 718 -24.256 47.084 -27.632 1.00 0.00 WAT1 ATOM 3661 H2 TIP3 718 -23.580 46.384 -26.436 1.00 0.00 WAT1 ATOM 3662 OH2 TIP3 719 -11.409 34.669 -20.775 1.00 0.00 WAT1 ATOM 3663 H1 TIP3 719 -11.208 33.735 -20.578 1.00 0.00 WAT1 ATOM 3664 H2 TIP3 719 -10.927 34.842 -21.612 1.00 0.00 WAT1 ATOM 3665 OH2 TIP3 720 -26.939 45.090 -30.146 1.00 0.00 WAT1 ATOM 3666 H1 TIP3 720 -27.300 45.037 -31.065 1.00 0.00 WAT1 ATOM 3667 H2 TIP3 720 -27.710 44.945 -29.584 1.00 0.00 WAT1 ATOM 3668 OH2 TIP3 721 -21.081 39.903 -17.115 1.00 0.00 WAT1 ATOM 3669 H1 TIP3 721 -21.109 40.816 -16.813 1.00 0.00 WAT1 ATOM 3670 H2 TIP3 721 -20.135 39.656 -17.047 1.00 0.00 WAT1 ATOM 3671 OH2 TIP3 722 -14.497 35.964 -14.843 1.00 0.00 WAT1 ATOM 3672 H1 TIP3 722 -14.253 36.904 -14.666 1.00 0.00 WAT1 ATOM 3673 H2 TIP3 722 -15.483 35.972 -14.844 1.00 0.00 WAT1 ATOM 3674 OH2 TIP3 723 -19.593 36.840 -15.767 1.00 0.00 WAT1 ATOM 3675 H1 TIP3 723 -19.335 37.696 -16.176 1.00 0.00 WAT1 ATOM 3676 H2 TIP3 723 -20.524 36.708 -16.050 1.00 0.00 WAT1 ATOM 3677 OH2 TIP3 724 -20.112 33.632 -14.517 1.00 0.00 WAT1 ATOM 3678 H1 TIP3 724 -20.321 33.683 -15.476 1.00 0.00 WAT1 ATOM 3679 H2 TIP3 724 -20.938 33.930 -14.077 1.00 0.00 WAT1 ATOM 3680 OH2 TIP3 725 -18.625 35.102 -12.651 1.00 0.00 WAT1 ATOM 3681 H1 TIP3 725 -17.900 35.447 -13.209 1.00 0.00 WAT1 ATOM 3682 H2 TIP3 725 -19.122 34.506 -13.249 1.00 0.00 WAT1 ATOM 3683 OH2 TIP3 726 -14.999 33.496 -16.172 1.00 0.00 WAT1 ATOM 3684 H1 TIP3 726 -15.804 33.301 -15.662 1.00 0.00 WAT1 ATOM 3685 H2 TIP3 726 -14.667 34.325 -15.785 1.00 0.00 WAT1 ATOM 3686 OH2 TIP3 727 -22.307 36.269 -15.904 1.00 0.00 WAT1 ATOM 3687 H1 TIP3 727 -22.508 36.183 -14.960 1.00 0.00 WAT1 ATOM 3688 H2 TIP3 727 -22.760 35.503 -16.313 1.00 0.00 WAT1 ATOM 3689 OH2 TIP3 728 -16.028 31.529 -13.213 1.00 0.00 WAT1 ATOM 3690 H1 TIP3 728 -16.559 32.023 -13.859 1.00 0.00 WAT1 ATOM 3691 H2 TIP3 728 -16.108 30.603 -13.493 1.00 0.00 WAT1 ATOM 3692 OH2 TIP3 729 -25.937 45.657 -34.292 1.00 0.00 WAT1 ATOM 3693 H1 TIP3 729 -25.869 45.257 -33.412 1.00 0.00 WAT1 ATOM 3694 H2 TIP3 729 -26.787 46.149 -34.264 1.00 0.00 WAT1 ATOM 3695 OH2 TIP3 730 -27.057 40.087 -25.088 1.00 0.00 WAT1 ATOM 3696 H1 TIP3 730 -27.225 39.588 -25.899 1.00 0.00 WAT1 ATOM 3697 H2 TIP3 730 -27.650 40.850 -25.153 1.00 0.00 WAT1 ATOM 3698 OH2 TIP3 731 -9.325 35.573 -18.305 1.00 0.00 WAT1 ATOM 3699 H1 TIP3 731 -10.096 36.132 -18.493 1.00 0.00 WAT1 ATOM 3700 H2 TIP3 731 -9.704 34.784 -17.873 1.00 0.00 WAT1 ATOM 3701 OH2 TIP3 732 -22.951 38.161 -17.948 1.00 0.00 WAT1 ATOM 3702 H1 TIP3 732 -22.281 38.862 -17.762 1.00 0.00 WAT1 ATOM 3703 H2 TIP3 732 -22.922 37.593 -17.154 1.00 0.00 WAT1 ATOM 3704 OH2 TIP3 733 -10.161 32.175 -20.440 1.00 0.00 WAT1 ATOM 3705 H1 TIP3 733 -9.805 31.662 -21.179 1.00 0.00 WAT1 ATOM 3706 H2 TIP3 733 -9.396 32.696 -20.121 1.00 0.00 WAT1 ATOM 3707 OH2 TIP3 734 -19.347 46.863 -17.154 1.00 0.00 WAT1 ATOM 3708 H1 TIP3 734 -19.889 46.428 -16.473 1.00 0.00 WAT1 ATOM 3709 H2 TIP3 734 -18.456 46.528 -16.992 1.00 0.00 WAT1 ATOM 3710 OH2 TIP3 735 -11.775 31.004 -18.603 1.00 0.00 WAT1 ATOM 3711 H1 TIP3 735 -11.201 31.355 -19.322 1.00 0.00 WAT1 ATOM 3712 H2 TIP3 735 -11.142 30.594 -17.967 1.00 0.00 WAT1 ATOM 3713 OH2 TIP3 736 -18.877 47.664 -24.666 1.00 0.00 WAT1 ATOM 3714 H1 TIP3 736 -18.675 48.197 -23.874 1.00 0.00 WAT1 ATOM 3715 H2 TIP3 736 -19.699 48.057 -25.016 1.00 0.00 WAT1 ATOM 3716 OH2 TIP3 737 -26.966 49.338 -29.843 1.00 0.00 WAT1 ATOM 3717 H1 TIP3 737 -27.885 49.650 -29.911 1.00 0.00 WAT1 ATOM 3718 H2 TIP3 737 -26.429 50.146 -29.972 1.00 0.00 WAT1 ATOM 3719 OH2 TIP3 738 -23.284 34.020 -17.127 1.00 0.00 WAT1 ATOM 3720 H1 TIP3 738 -23.408 34.569 -17.939 1.00 0.00 WAT1 ATOM 3721 H2 TIP3 738 -22.388 33.647 -17.228 1.00 0.00 WAT1 ATOM 3722 OH2 TIP3 739 -25.498 47.216 -28.943 1.00 0.00 WAT1 ATOM 3723 H1 TIP3 739 -26.057 47.971 -29.238 1.00 0.00 WAT1 ATOM 3724 H2 TIP3 739 -25.873 46.448 -29.415 1.00 0.00 WAT1 ATOM 3725 OH2 TIP3 740 -15.442 31.724 -18.180 1.00 0.00 WAT1 ATOM 3726 H1 TIP3 740 -14.734 31.783 -18.839 1.00 0.00 WAT1 ATOM 3727 H2 TIP3 740 -15.160 32.350 -17.469 1.00 0.00 WAT1 ATOM 3728 OH2 TIP3 741 -14.954 41.492 -7.429 1.00 0.00 WAT1 ATOM 3729 H1 TIP3 741 -15.273 42.277 -7.929 1.00 0.00 WAT1 ATOM 3730 H2 TIP3 741 -14.124 41.244 -7.881 1.00 0.00 WAT1 ATOM 3731 OH2 TIP3 742 -17.006 38.604 -5.803 1.00 0.00 WAT1 ATOM 3732 H1 TIP3 742 -17.206 39.381 -5.256 1.00 0.00 WAT1 ATOM 3733 H2 TIP3 742 -16.203 38.222 -5.384 1.00 0.00 WAT1 ATOM 3734 OH2 TIP3 743 -15.766 50.747 -5.462 1.00 0.00 WAT1 ATOM 3735 H1 TIP3 743 -15.409 50.183 -4.765 1.00 0.00 WAT1 ATOM 3736 H2 TIP3 743 -16.719 50.816 -5.248 1.00 0.00 WAT1 ATOM 3737 OH2 TIP3 744 -15.621 43.632 -8.972 1.00 0.00 WAT1 ATOM 3738 H1 TIP3 744 -15.701 44.603 -8.941 1.00 0.00 WAT1 ATOM 3739 H2 TIP3 744 -16.107 43.375 -9.780 1.00 0.00 WAT1 ATOM 3740 OH2 TIP3 745 -15.639 46.409 -8.429 1.00 0.00 WAT1 ATOM 3741 H1 TIP3 745 -15.067 46.301 -7.633 1.00 0.00 WAT1 ATOM 3742 H2 TIP3 745 -16.058 47.269 -8.301 1.00 0.00 WAT1 ATOM 3743 OH2 TIP3 746 -14.039 46.446 -6.218 1.00 0.00 WAT1 ATOM 3744 H1 TIP3 746 -13.082 46.410 -6.322 1.00 0.00 WAT1 ATOM 3745 H2 TIP3 746 -14.169 46.905 -5.351 1.00 0.00 WAT1 ATOM 3746 OH2 TIP3 747 -11.242 40.020 -2.419 1.00 0.00 WAT1 ATOM 3747 H1 TIP3 747 -11.984 40.085 -3.054 1.00 0.00 WAT1 ATOM 3748 H2 TIP3 747 -11.582 39.436 -1.709 1.00 0.00 WAT1 ATOM 3749 OH2 TIP3 748 -17.736 40.172 -9.997 1.00 0.00 WAT1 ATOM 3750 H1 TIP3 748 -17.303 41.001 -10.280 1.00 0.00 WAT1 ATOM 3751 H2 TIP3 748 -18.681 40.302 -10.245 1.00 0.00 WAT1 ATOM 3752 OH2 TIP3 749 -20.188 40.859 -10.861 1.00 0.00 WAT1 ATOM 3753 H1 TIP3 749 -20.819 40.295 -11.368 1.00 0.00 WAT1 ATOM 3754 H2 TIP3 749 -20.132 41.677 -11.375 1.00 0.00 WAT1 ATOM 3755 OH2 TIP3 750 -13.980 38.410 -8.822 1.00 0.00 WAT1 ATOM 3756 H1 TIP3 750 -13.562 39.284 -8.662 1.00 0.00 WAT1 ATOM 3757 H2 TIP3 750 -13.354 37.766 -8.411 1.00 0.00 WAT1 ATOM 3758 OH2 TIP3 751 -14.690 41.955 -4.796 1.00 0.00 WAT1 ATOM 3759 H1 TIP3 751 -14.879 41.745 -5.743 1.00 0.00 WAT1 ATOM 3760 H2 TIP3 751 -14.917 42.915 -4.716 1.00 0.00 WAT1 ATOM 3761 OH2 TIP3 752 -18.101 44.253 -1.549 1.00 0.00 WAT1 ATOM 3762 H1 TIP3 752 -17.851 43.309 -1.454 1.00 0.00 WAT1 ATOM 3763 H2 TIP3 752 -19.038 44.227 -1.853 1.00 0.00 WAT1 ATOM 3764 OH2 TIP3 753 -13.381 35.077 -12.083 1.00 0.00 WAT1 ATOM 3765 H1 TIP3 753 -13.904 35.004 -12.900 1.00 0.00 WAT1 ATOM 3766 H2 TIP3 753 -12.463 35.239 -12.403 1.00 0.00 WAT1 ATOM 3767 OH2 TIP3 754 -20.712 44.778 -2.124 1.00 0.00 WAT1 ATOM 3768 H1 TIP3 754 -21.153 45.436 -2.696 1.00 0.00 WAT1 ATOM 3769 H2 TIP3 754 -21.061 44.969 -1.227 1.00 0.00 WAT1 ATOM 3770 OH2 TIP3 755 -18.794 45.998 0.445 1.00 0.00 WAT1 ATOM 3771 H1 TIP3 755 -19.761 45.835 0.471 1.00 0.00 WAT1 ATOM 3772 H2 TIP3 755 -18.464 45.374 -0.238 1.00 0.00 WAT1 ATOM 3773 OH2 TIP3 756 -19.486 43.715 -11.737 1.00 0.00 WAT1 ATOM 3774 H1 TIP3 756 -19.010 44.493 -12.107 1.00 0.00 WAT1 ATOM 3775 H2 TIP3 756 -20.318 43.683 -12.256 1.00 0.00 WAT1 ATOM 3776 OH2 TIP3 757 -16.976 47.871 -12.048 1.00 0.00 WAT1 ATOM 3777 H1 TIP3 757 -17.080 48.831 -11.897 1.00 0.00 WAT1 ATOM 3778 H2 TIP3 757 -16.084 47.666 -11.690 1.00 0.00 WAT1 ATOM 3779 OH2 TIP3 758 -14.614 47.114 -10.887 1.00 0.00 WAT1 ATOM 3780 H1 TIP3 758 -14.926 46.730 -10.042 1.00 0.00 WAT1 ATOM 3781 H2 TIP3 758 -13.657 47.081 -10.823 1.00 0.00 WAT1 ATOM 3782 OH2 TIP3 759 -17.217 35.692 -14.957 1.00 0.00 WAT1 ATOM 3783 H1 TIP3 759 -17.341 34.747 -15.163 1.00 0.00 WAT1 ATOM 3784 H2 TIP3 759 -18.025 36.125 -15.317 1.00 0.00 WAT1 ATOM 3785 OH2 TIP3 760 -18.138 33.700 -10.360 1.00 0.00 WAT1 ATOM 3786 H1 TIP3 760 -17.161 33.790 -10.270 1.00 0.00 WAT1 ATOM 3787 H2 TIP3 760 -18.353 34.242 -11.150 1.00 0.00 WAT1 ATOM 3788 OH2 TIP3 761 -17.560 32.897 -15.197 1.00 0.00 WAT1 ATOM 3789 H1 TIP3 761 -17.747 32.446 -16.048 1.00 0.00 WAT1 ATOM 3790 H2 TIP3 761 -18.444 32.990 -14.778 1.00 0.00 WAT1 ATOM 3791 OH2 TIP3 762 -23.760 31.892 -13.757 1.00 0.00 WAT1 ATOM 3792 H1 TIP3 762 -23.369 31.374 -14.503 1.00 0.00 WAT1 ATOM 3793 H2 TIP3 762 -23.170 32.655 -13.661 1.00 0.00 WAT1 ATOM 3794 OH2 TIP3 763 -25.040 35.028 -8.599 1.00 0.00 WAT1 ATOM 3795 H1 TIP3 763 -24.419 35.096 -7.846 1.00 0.00 WAT1 ATOM 3796 H2 TIP3 763 -25.721 34.385 -8.287 1.00 0.00 WAT1 ATOM 3797 OH2 TIP3 764 -23.903 42.360 -12.524 1.00 0.00 WAT1 ATOM 3798 H1 TIP3 764 -23.628 41.445 -12.354 1.00 0.00 WAT1 ATOM 3799 H2 TIP3 764 -24.341 42.640 -11.688 1.00 0.00 WAT1 ATOM 3800 OH2 TIP3 765 -10.173 38.479 -4.950 1.00 0.00 WAT1 ATOM 3801 H1 TIP3 765 -10.422 37.549 -5.111 1.00 0.00 WAT1 ATOM 3802 H2 TIP3 765 -10.826 38.792 -4.301 1.00 0.00 WAT1 ATOM 3803 OH2 TIP3 766 -15.481 44.502 -4.824 1.00 0.00 WAT1 ATOM 3804 H1 TIP3 766 -16.253 44.997 -4.476 1.00 0.00 WAT1 ATOM 3805 H2 TIP3 766 -15.028 45.141 -5.401 1.00 0.00 WAT1 ATOM 3806 OH2 TIP3 767 -14.591 34.682 -7.582 1.00 0.00 WAT1 ATOM 3807 H1 TIP3 767 -13.954 33.938 -7.476 1.00 0.00 WAT1 ATOM 3808 H2 TIP3 767 -14.872 34.887 -6.660 1.00 0.00 WAT1 ATOM 3809 OH2 TIP3 768 -17.820 43.371 -14.354 1.00 0.00 WAT1 ATOM 3810 H1 TIP3 768 -17.695 44.179 -13.823 1.00 0.00 WAT1 ATOM 3811 H2 TIP3 768 -18.625 43.559 -14.877 1.00 0.00 WAT1 ATOM 3812 OH2 TIP3 769 -18.537 38.929 3.344 1.00 0.00 WAT1 ATOM 3813 H1 TIP3 769 -18.444 39.394 2.495 1.00 0.00 WAT1 ATOM 3814 H2 TIP3 769 -17.674 39.065 3.780 1.00 0.00 WAT1 ATOM 3815 OH2 TIP3 770 -17.529 45.928 -3.703 1.00 0.00 WAT1 ATOM 3816 H1 TIP3 770 -17.670 45.426 -2.870 1.00 0.00 WAT1 ATOM 3817 H2 TIP3 770 -17.358 46.842 -3.407 1.00 0.00 WAT1 ATOM 3818 OH2 TIP3 771 -10.983 35.342 -13.323 1.00 0.00 WAT1 ATOM 3819 H1 TIP3 771 -10.068 35.648 -13.318 1.00 0.00 WAT1 ATOM 3820 H2 TIP3 771 -11.212 35.290 -14.274 1.00 0.00 WAT1 ATOM 3821 OH2 TIP3 772 -8.114 36.930 -1.156 1.00 0.00 WAT1 ATOM 3822 H1 TIP3 772 -8.131 37.530 -0.404 1.00 0.00 WAT1 ATOM 3823 H2 TIP3 772 -8.080 37.522 -1.936 1.00 0.00 WAT1 ATOM 3824 OH2 TIP3 773 -16.407 40.359 -3.394 1.00 0.00 WAT1 ATOM 3825 H1 TIP3 773 -15.866 41.054 -3.827 1.00 0.00 WAT1 ATOM 3826 H2 TIP3 773 -16.816 40.814 -2.629 1.00 0.00 WAT1 ATOM 3827 OH2 TIP3 774 -17.204 41.656 -1.028 1.00 0.00 WAT1 ATOM 3828 H1 TIP3 774 -16.318 41.681 -0.650 1.00 0.00 WAT1 ATOM 3829 H2 TIP3 774 -17.774 41.367 -0.281 1.00 0.00 WAT1 ATOM 3830 OH2 TIP3 775 -17.203 40.786 -15.015 1.00 0.00 WAT1 ATOM 3831 H1 TIP3 775 -16.333 40.646 -14.627 1.00 0.00 WAT1 ATOM 3832 H2 TIP3 775 -17.426 41.717 -14.777 1.00 0.00 WAT1 ATOM 3833 OH2 TIP3 776 -13.794 38.534 -14.121 1.00 0.00 WAT1 ATOM 3834 H1 TIP3 776 -13.005 39.068 -14.241 1.00 0.00 WAT1 ATOM 3835 H2 TIP3 776 -13.813 38.346 -13.152 1.00 0.00 WAT1 ATOM 3836 OH2 TIP3 777 -21.742 43.918 -13.290 1.00 0.00 WAT1 ATOM 3837 H1 TIP3 777 -22.450 43.264 -13.115 1.00 0.00 WAT1 ATOM 3838 H2 TIP3 777 -22.185 44.785 -13.172 1.00 0.00 WAT1 ATOM 3839 OH2 TIP3 778 -17.091 42.603 -11.198 1.00 0.00 WAT1 ATOM 3840 H1 TIP3 778 -16.820 42.485 -12.118 1.00 0.00 WAT1 ATOM 3841 H2 TIP3 778 -18.012 42.949 -11.265 1.00 0.00 WAT1 ATOM 3842 OH2 TIP3 779 -19.746 31.530 -10.175 1.00 0.00 WAT1 ATOM 3843 H1 TIP3 779 -19.171 32.336 -10.212 1.00 0.00 WAT1 ATOM 3844 H2 TIP3 779 -20.588 31.824 -10.538 1.00 0.00 WAT1 ATOM 3845 OH2 TIP3 780 -15.479 34.329 -10.191 1.00 0.00 WAT1 ATOM 3846 H1 TIP3 780 -15.100 34.469 -9.300 1.00 0.00 WAT1 ATOM 3847 H2 TIP3 780 -14.731 34.477 -10.797 1.00 0.00 WAT1 ATOM 3848 OH2 TIP3 781 -23.951 37.600 -11.613 1.00 0.00 WAT1 ATOM 3849 H1 TIP3 781 -24.681 37.791 -10.993 1.00 0.00 WAT1 ATOM 3850 H2 TIP3 781 -23.862 36.633 -11.580 1.00 0.00 WAT1 ATOM 3851 OH2 TIP3 782 -23.063 47.424 1.502 1.00 0.00 WAT1 ATOM 3852 H1 TIP3 782 -23.198 47.291 2.470 1.00 0.00 WAT1 ATOM 3853 H2 TIP3 782 -23.952 47.270 1.114 1.00 0.00 WAT1 ATOM 3854 OH2 TIP3 783 -22.210 43.906 2.523 1.00 0.00 WAT1 ATOM 3855 H1 TIP3 783 -21.822 44.482 3.214 1.00 0.00 WAT1 ATOM 3856 H2 TIP3 783 -21.747 43.046 2.638 1.00 0.00 WAT1 ATOM 3857 OH2 TIP3 784 -20.222 44.263 -15.584 1.00 0.00 WAT1 ATOM 3858 H1 TIP3 784 -20.809 44.126 -16.362 1.00 0.00 WAT1 ATOM 3859 H2 TIP3 784 -20.789 44.048 -14.813 1.00 0.00 WAT1 ATOM 3860 OH2 TIP3 785 -21.757 44.058 -17.857 1.00 0.00 WAT1 ATOM 3861 H1 TIP3 785 -22.474 43.664 -18.366 1.00 0.00 WAT1 ATOM 3862 H2 TIP3 785 -21.326 44.675 -18.486 1.00 0.00 WAT1 ATOM 3863 OH2 TIP3 786 -18.492 41.166 1.397 1.00 0.00 WAT1 ATOM 3864 H1 TIP3 786 -19.425 41.326 1.634 1.00 0.00 WAT1 ATOM 3865 H2 TIP3 786 -17.988 41.609 2.112 1.00 0.00 WAT1 ATOM 3866 OH2 TIP3 787 -18.484 39.166 -16.756 1.00 0.00 WAT1 ATOM 3867 H1 TIP3 787 -17.768 39.104 -17.396 1.00 0.00 WAT1 ATOM 3868 H2 TIP3 787 -18.114 39.735 -16.035 1.00 0.00 WAT1 ATOM 3869 OH2 TIP3 788 -13.312 40.309 3.605 1.00 0.00 WAT1 ATOM 3870 H1 TIP3 788 -12.663 41.021 3.635 1.00 0.00 WAT1 ATOM 3871 H2 TIP3 788 -12.884 39.576 4.071 1.00 0.00 WAT1 ATOM 3872 OH2 TIP3 789 -21.884 39.233 -12.247 1.00 0.00 WAT1 ATOM 3873 H1 TIP3 789 -22.723 38.759 -12.048 1.00 0.00 WAT1 ATOM 3874 H2 TIP3 789 -21.320 38.547 -12.653 1.00 0.00 WAT1 ATOM 3875 OH2 TIP3 790 -20.582 36.951 -13.145 1.00 0.00 WAT1 ATOM 3876 H1 TIP3 790 -20.224 37.039 -14.052 1.00 0.00 WAT1 ATOM 3877 H2 TIP3 790 -19.875 36.481 -12.657 1.00 0.00 WAT1 ATOM 3878 OH2 TIP3 791 -16.022 39.974 3.902 1.00 0.00 WAT1 ATOM 3879 H1 TIP3 791 -15.067 40.129 3.710 1.00 0.00 WAT1 ATOM 3880 H2 TIP3 791 -16.410 40.873 3.919 1.00 0.00 WAT1 ATOM 3881 OH2 TIP3 792 -19.975 48.091 -13.751 1.00 0.00 WAT1 ATOM 3882 H1 TIP3 792 -19.962 48.367 -12.809 1.00 0.00 WAT1 ATOM 3883 H2 TIP3 792 -19.707 48.892 -14.237 1.00 0.00 WAT1 ATOM 3884 OH2 TIP3 793 -25.569 51.268 -14.236 1.00 0.00 WAT1 ATOM 3885 H1 TIP3 793 -26.177 51.577 -13.523 1.00 0.00 WAT1 ATOM 3886 H2 TIP3 793 -24.708 51.165 -13.786 1.00 0.00 WAT1 ATOM 3887 OH2 TIP3 794 -11.976 40.173 7.833 1.00 0.00 WAT1 ATOM 3888 H1 TIP3 794 -11.388 39.617 8.377 1.00 0.00 WAT1 ATOM 3889 H2 TIP3 794 -12.862 39.818 8.006 1.00 0.00 WAT1 ATOM 3890 OH2 TIP3 795 -12.487 36.481 -7.723 1.00 0.00 WAT1 ATOM 3891 H1 TIP3 795 -13.181 35.794 -7.715 1.00 0.00 WAT1 ATOM 3892 H2 TIP3 795 -11.954 36.291 -6.928 1.00 0.00 WAT1 ATOM 3893 OH2 TIP3 796 -12.688 40.138 -4.729 1.00 0.00 WAT1 ATOM 3894 H1 TIP3 796 -12.104 40.418 -5.460 1.00 0.00 WAT1 ATOM 3895 H2 TIP3 796 -13.386 40.835 -4.701 1.00 0.00 WAT1 ATOM 3896 OH2 TIP3 797 -13.619 37.837 -11.516 1.00 0.00 WAT1 ATOM 3897 H1 TIP3 797 -13.560 36.864 -11.518 1.00 0.00 WAT1 ATOM 3898 H2 TIP3 797 -13.745 38.067 -10.573 1.00 0.00 WAT1 ATOM 3899 OH2 TIP3 798 -10.552 33.306 -17.323 1.00 0.00 WAT1 ATOM 3900 H1 TIP3 798 -11.150 33.835 -16.758 1.00 0.00 WAT1 ATOM 3901 H2 TIP3 798 -11.131 32.618 -17.705 1.00 0.00 WAT1 ATOM 3902 OH2 TIP3 799 -14.771 38.370 -4.279 1.00 0.00 WAT1 ATOM 3903 H1 TIP3 799 -15.327 39.019 -3.799 1.00 0.00 WAT1 ATOM 3904 H2 TIP3 799 -13.960 38.866 -4.496 1.00 0.00 WAT1 ATOM 3905 OH2 TIP3 800 -25.151 33.927 0.944 1.00 0.00 WAT1 ATOM 3906 H1 TIP3 800 -25.075 33.677 0.018 1.00 0.00 WAT1 ATOM 3907 H2 TIP3 800 -24.630 33.228 1.419 1.00 0.00 WAT1 ATOM 3908 OH2 TIP3 801 -14.841 51.800 -7.841 1.00 0.00 WAT1 ATOM 3909 H1 TIP3 801 -15.236 51.379 -7.044 1.00 0.00 WAT1 ATOM 3910 H2 TIP3 801 -14.131 52.343 -7.491 1.00 0.00 WAT1 ATOM 3911 OH2 TIP3 802 -21.504 45.452 0.397 1.00 0.00 WAT1 ATOM 3912 H1 TIP3 802 -22.021 46.260 0.607 1.00 0.00 WAT1 ATOM 3913 H2 TIP3 802 -21.791 44.804 1.078 1.00 0.00 WAT1 ATOM 3914 OH2 TIP3 803 -18.144 45.005 2.944 1.00 0.00 WAT1 ATOM 3915 H1 TIP3 803 -18.227 45.185 1.986 1.00 0.00 WAT1 ATOM 3916 H2 TIP3 803 -18.326 45.869 3.358 1.00 0.00 WAT1 ATOM 3917 OH2 TIP3 804 -18.147 48.176 -1.167 1.00 0.00 WAT1 ATOM 3918 H1 TIP3 804 -18.953 48.711 -1.147 1.00 0.00 WAT1 ATOM 3919 H2 TIP3 804 -18.302 47.481 -0.492 1.00 0.00 WAT1 ATOM 3920 OH2 TIP3 805 -29.138 48.859 -5.512 1.00 0.00 WAT1 ATOM 3921 H1 TIP3 805 -28.807 48.336 -6.275 1.00 0.00 WAT1 ATOM 3922 H2 TIP3 805 -28.331 49.081 -5.008 1.00 0.00 WAT1 ATOM 3923 OH2 TIP3 806 -16.794 48.667 -3.426 1.00 0.00 WAT1 ATOM 3924 H1 TIP3 806 -17.205 48.619 -2.528 1.00 0.00 WAT1 ATOM 3925 H2 TIP3 806 -17.375 49.280 -3.921 1.00 0.00 WAT1 ATOM 3926 OH2 TIP3 807 -24.225 34.871 -11.258 1.00 0.00 WAT1 ATOM 3927 H1 TIP3 807 -25.100 35.044 -11.671 1.00 0.00 WAT1 ATOM 3928 H2 TIP3 807 -24.428 34.782 -10.303 1.00 0.00 WAT1 ATOM 3929 OH2 TIP3 808 -20.398 33.700 -17.290 1.00 0.00 WAT1 ATOM 3930 H1 TIP3 808 -19.708 33.053 -17.555 1.00 0.00 WAT1 ATOM 3931 H2 TIP3 808 -20.231 34.469 -17.851 1.00 0.00 WAT1 ATOM 3932 OH2 TIP3 809 -18.383 45.817 -13.077 1.00 0.00 WAT1 ATOM 3933 H1 TIP3 809 -17.784 46.479 -12.656 1.00 0.00 WAT1 ATOM 3934 H2 TIP3 809 -19.025 46.362 -13.568 1.00 0.00 WAT1 ATOM 3935 OH2 TIP3 810 -15.905 36.802 8.049 1.00 0.00 WAT1 ATOM 3936 H1 TIP3 810 -16.878 36.665 8.079 1.00 0.00 WAT1 ATOM 3937 H2 TIP3 810 -15.748 37.173 7.151 1.00 0.00 WAT1 ATOM 3938 OH2 TIP3 811 -25.420 35.280 11.461 1.00 0.00 WAT1 ATOM 3939 H1 TIP3 811 -25.139 34.356 11.381 1.00 0.00 WAT1 ATOM 3940 H2 TIP3 811 -24.635 35.792 11.161 1.00 0.00 WAT1 ATOM 3941 OH2 TIP3 812 -26.434 33.887 5.368 1.00 0.00 WAT1 ATOM 3942 H1 TIP3 812 -26.647 33.705 4.419 1.00 0.00 WAT1 ATOM 3943 H2 TIP3 812 -26.052 34.776 5.358 1.00 0.00 WAT1 ATOM 3944 OH2 TIP3 813 -25.574 37.863 9.783 1.00 0.00 WAT1 ATOM 3945 H1 TIP3 813 -25.825 38.289 10.612 1.00 0.00 WAT1 ATOM 3946 H2 TIP3 813 -24.671 37.513 9.956 1.00 0.00 WAT1 ATOM 3947 OH2 TIP3 814 -14.740 40.194 10.526 1.00 0.00 WAT1 ATOM 3948 H1 TIP3 814 -14.000 40.772 10.731 1.00 0.00 WAT1 ATOM 3949 H2 TIP3 814 -14.332 39.439 10.047 1.00 0.00 WAT1 ATOM 3950 OH2 TIP3 815 -19.335 32.745 6.028 1.00 0.00 WAT1 ATOM 3951 H1 TIP3 815 -19.636 32.315 6.856 1.00 0.00 WAT1 ATOM 3952 H2 TIP3 815 -18.547 33.252 6.297 1.00 0.00 WAT1 ATOM 3953 OH2 TIP3 816 -26.969 32.875 10.509 1.00 0.00 WAT1 ATOM 3954 H1 TIP3 816 -26.982 32.783 11.480 1.00 0.00 WAT1 ATOM 3955 H2 TIP3 816 -26.033 32.698 10.266 1.00 0.00 WAT1 ATOM 3956 OH2 TIP3 817 -18.517 36.176 7.460 1.00 0.00 WAT1 ATOM 3957 H1 TIP3 817 -19.215 35.690 7.934 1.00 0.00 WAT1 ATOM 3958 H2 TIP3 817 -18.960 36.498 6.644 1.00 0.00 WAT1 ATOM 3959 OH2 TIP3 818 -17.223 40.141 9.414 1.00 0.00 WAT1 ATOM 3960 H1 TIP3 818 -17.771 39.991 10.188 1.00 0.00 WAT1 ATOM 3961 H2 TIP3 818 -16.315 40.242 9.779 1.00 0.00 WAT1 ATOM 3962 OH2 TIP3 819 -15.752 28.900 8.246 1.00 0.00 WAT1 ATOM 3963 H1 TIP3 819 -15.953 27.960 8.246 1.00 0.00 WAT1 ATOM 3964 H2 TIP3 819 -16.634 29.333 8.368 1.00 0.00 WAT1 ATOM 3965 OH2 TIP3 820 -26.434 40.741 5.186 1.00 0.00 WAT1 ATOM 3966 H1 TIP3 820 -25.786 41.440 5.330 1.00 0.00 WAT1 ATOM 3967 H2 TIP3 820 -26.447 40.246 6.029 1.00 0.00 WAT1 ATOM 3968 OH2 TIP3 821 -14.583 31.543 10.807 1.00 0.00 WAT1 ATOM 3969 H1 TIP3 821 -14.698 32.438 11.178 1.00 0.00 WAT1 ATOM 3970 H2 TIP3 821 -15.399 31.401 10.283 1.00 0.00 WAT1 ATOM 3971 OH2 TIP3 822 -15.607 37.837 5.584 1.00 0.00 WAT1 ATOM 3972 H1 TIP3 822 -15.721 38.562 4.933 1.00 0.00 WAT1 ATOM 3973 H2 TIP3 822 -15.950 37.028 5.109 1.00 0.00 WAT1 ATOM 3974 OH2 TIP3 823 -12.807 37.353 5.420 1.00 0.00 WAT1 ATOM 3975 H1 TIP3 823 -12.577 37.108 6.333 1.00 0.00 WAT1 ATOM 3976 H2 TIP3 823 -13.776 37.480 5.444 1.00 0.00 WAT1 ATOM 3977 OH2 TIP3 824 -23.646 36.092 7.563 1.00 0.00 WAT1 ATOM 3978 H1 TIP3 824 -23.085 36.160 6.759 1.00 0.00 WAT1 ATOM 3979 H2 TIP3 824 -24.541 36.311 7.244 1.00 0.00 WAT1 ATOM 3980 OH2 TIP3 825 -23.287 36.402 10.243 1.00 0.00 WAT1 ATOM 3981 H1 TIP3 825 -23.308 36.215 9.275 1.00 0.00 WAT1 ATOM 3982 H2 TIP3 825 -22.385 36.110 10.523 1.00 0.00 WAT1 ATOM 3983 OH2 TIP3 826 -22.531 36.284 5.093 1.00 0.00 WAT1 ATOM 3984 H1 TIP3 826 -22.670 35.716 4.301 1.00 0.00 WAT1 ATOM 3985 H2 TIP3 826 -21.580 36.527 5.050 1.00 0.00 WAT1 ATOM 3986 OH2 TIP3 827 -27.058 35.385 9.072 1.00 0.00 WAT1 ATOM 3987 H1 TIP3 827 -26.391 35.966 9.494 1.00 0.00 WAT1 ATOM 3988 H2 TIP3 827 -26.982 34.540 9.566 1.00 0.00 WAT1 ATOM 3989 OH2 TIP3 828 -17.075 33.834 7.374 1.00 0.00 WAT1 ATOM 3990 H1 TIP3 828 -16.468 33.745 6.587 1.00 0.00 WAT1 ATOM 3991 H2 TIP3 828 -17.355 34.773 7.349 1.00 0.00 WAT1 ATOM 3992 OH2 TIP3 829 -26.222 32.277 13.377 1.00 0.00 WAT1 ATOM 3993 H1 TIP3 829 -26.610 32.991 13.939 1.00 0.00 WAT1 ATOM 3994 H2 TIP3 829 -25.321 32.143 13.752 1.00 0.00 WAT1 ATOM 3995 OH2 TIP3 830 -16.940 32.043 9.462 1.00 0.00 WAT1 ATOM 3996 H1 TIP3 830 -16.860 32.616 8.669 1.00 0.00 WAT1 ATOM 3997 H2 TIP3 830 -17.452 31.254 9.136 1.00 0.00 WAT1 ATOM 3998 OH2 TIP3 831 -20.866 36.100 2.182 1.00 0.00 WAT1 ATOM 3999 H1 TIP3 831 -21.667 35.555 2.336 1.00 0.00 WAT1 ATOM 4000 H2 TIP3 831 -20.125 35.511 2.432 1.00 0.00 WAT1 ATOM 4001 OH2 TIP3 832 -20.828 35.307 10.728 1.00 0.00 WAT1 ATOM 4002 H1 TIP3 832 -20.391 34.948 11.533 1.00 0.00 WAT1 ATOM 4003 H2 TIP3 832 -20.366 34.854 9.991 1.00 0.00 WAT1 ATOM 4004 OH2 TIP3 833 -19.502 33.846 12.610 1.00 0.00 WAT1 ATOM 4005 H1 TIP3 833 -19.092 32.985 12.375 1.00 0.00 WAT1 ATOM 4006 H2 TIP3 833 -20.079 33.632 13.375 1.00 0.00 WAT1 ATOM 4007 OH2 TIP3 834 -19.727 36.749 5.014 1.00 0.00 WAT1 ATOM 4008 H1 TIP3 834 -19.338 37.511 4.548 1.00 0.00 WAT1 ATOM 4009 H2 TIP3 834 -19.435 35.973 4.487 1.00 0.00 WAT1 ATOM 4010 OH2 TIP3 835 -17.865 39.790 6.743 1.00 0.00 WAT1 ATOM 4011 H1 TIP3 835 -17.688 39.989 7.691 1.00 0.00 WAT1 ATOM 4012 H2 TIP3 835 -17.233 39.092 6.528 1.00 0.00 WAT1 ATOM 4013 OH2 TIP3 836 -11.484 33.111 4.695 1.00 0.00 WAT1 ATOM 4014 H1 TIP3 836 -12.125 33.186 5.433 1.00 0.00 WAT1 ATOM 4015 H2 TIP3 836 -11.340 34.040 4.410 1.00 0.00 WAT1 ATOM 4016 OH2 TIP3 837 -26.213 38.159 1.501 1.00 0.00 WAT1 ATOM 4017 H1 TIP3 837 -26.775 38.744 2.058 1.00 0.00 WAT1 ATOM 4018 H2 TIP3 837 -25.779 37.564 2.148 1.00 0.00 WAT1 ATOM 4019 OH2 TIP3 838 -19.660 41.317 5.346 1.00 0.00 WAT1 ATOM 4020 H1 TIP3 838 -18.958 40.733 5.728 1.00 0.00 WAT1 ATOM 4021 H2 TIP3 838 -20.419 41.174 5.923 1.00 0.00 WAT1 ATOM 4022 OH2 TIP3 839 -23.744 31.372 14.345 1.00 0.00 WAT1 ATOM 4023 H1 TIP3 839 -23.159 30.890 13.719 1.00 0.00 WAT1 ATOM 4024 H2 TIP3 839 -23.969 30.704 15.024 1.00 0.00 WAT1 ATOM 4025 OH2 TIP3 840 -13.728 38.199 8.982 1.00 0.00 WAT1 ATOM 4026 H1 TIP3 840 -13.081 37.523 8.704 1.00 0.00 WAT1 ATOM 4027 H2 TIP3 840 -14.598 37.797 8.772 1.00 0.00 WAT1 ATOM 4028 OH2 TIP3 841 -20.877 45.517 4.383 1.00 0.00 WAT1 ATOM 4029 H1 TIP3 841 -20.253 44.843 4.679 1.00 0.00 WAT1 ATOM 4030 H2 TIP3 841 -20.306 46.281 4.142 1.00 0.00 WAT1 ATOM 4031 OH2 TIP3 842 -25.150 36.998 4.118 1.00 0.00 WAT1 ATOM 4032 H1 TIP3 842 -24.210 36.867 4.339 1.00 0.00 WAT1 ATOM 4033 H2 TIP3 842 -25.604 36.959 4.980 1.00 0.00 WAT1 ATOM 4034 OH2 TIP3 843 -15.905 34.015 11.043 1.00 0.00 WAT1 ATOM 4035 H1 TIP3 843 -16.460 33.366 10.560 1.00 0.00 WAT1 ATOM 4036 H2 TIP3 843 -16.520 34.442 11.655 1.00 0.00 WAT1 ATOM 4037 OH2 TIP3 844 -21.213 32.959 14.599 1.00 0.00 WAT1 ATOM 4038 H1 TIP3 844 -20.743 32.544 15.354 1.00 0.00 WAT1 ATOM 4039 H2 TIP3 844 -22.103 32.574 14.631 1.00 0.00 WAT1 ATOM 4040 OH2 TIP3 845 -14.224 34.825 8.966 1.00 0.00 WAT1 ATOM 4041 H1 TIP3 845 -14.662 34.478 9.772 1.00 0.00 WAT1 ATOM 4042 H2 TIP3 845 -14.857 35.496 8.623 1.00 0.00 WAT1 ATOM 4043 OH2 TIP3 846 -24.841 43.158 2.926 1.00 0.00 WAT1 ATOM 4044 H1 TIP3 846 -25.448 43.772 2.483 1.00 0.00 WAT1 ATOM 4045 H2 TIP3 846 -23.957 43.553 2.791 1.00 0.00 WAT1 ATOM 4046 OH2 TIP3 847 -23.217 34.898 2.866 1.00 0.00 WAT1 ATOM 4047 H1 TIP3 847 -23.976 35.169 2.324 1.00 0.00 WAT1 ATOM 4048 H2 TIP3 847 -23.300 33.909 2.909 1.00 0.00 WAT1 ATOM 4049 OH2 TIP3 848 -20.861 41.495 2.866 1.00 0.00 WAT1 ATOM 4050 H1 TIP3 848 -21.209 40.586 2.755 1.00 0.00 WAT1 ATOM 4051 H2 TIP3 848 -20.392 41.466 3.730 1.00 0.00 WAT1 ATOM 4052 OH2 TIP3 849 -17.531 42.401 3.674 1.00 0.00 WAT1 ATOM 4053 H1 TIP3 849 -18.204 42.227 4.358 1.00 0.00 WAT1 ATOM 4054 H2 TIP3 849 -17.652 43.355 3.453 1.00 0.00 WAT1 ATOM 4055 OH2 TIP3 850 -21.108 38.742 2.597 1.00 0.00 WAT1 ATOM 4056 H1 TIP3 850 -21.186 37.765 2.467 1.00 0.00 WAT1 ATOM 4057 H2 TIP3 850 -20.206 38.855 2.969 1.00 0.00 WAT1 ATOM 4058 OH2 TIP3 851 -18.779 34.645 3.442 1.00 0.00 WAT1 ATOM 4059 H1 TIP3 851 -18.674 33.675 3.483 1.00 0.00 WAT1 ATOM 4060 H2 TIP3 851 -17.900 34.993 3.732 1.00 0.00 WAT1 ATOM 4061 OH2 TIP3 852 -23.524 36.931 15.544 1.00 0.00 WAT1 ATOM 4062 H1 TIP3 852 -23.034 36.228 15.098 1.00 0.00 WAT1 ATOM 4063 H2 TIP3 852 -22.850 37.431 16.014 1.00 0.00 WAT1 ATOM 4064 OH2 TIP3 853 -19.819 31.704 16.695 1.00 0.00 WAT1 ATOM 4065 H1 TIP3 853 -18.929 32.029 16.924 1.00 0.00 WAT1 ATOM 4066 H2 TIP3 853 -20.004 31.027 17.368 1.00 0.00 WAT1 ATOM 4067 OH2 TIP3 854 -17.296 32.260 17.844 1.00 0.00 WAT1 ATOM 4068 H1 TIP3 854 -17.589 31.866 18.703 1.00 0.00 WAT1 ATOM 4069 H2 TIP3 854 -16.988 33.141 18.082 1.00 0.00 WAT1 ATOM 4070 OH2 TIP3 855 -24.967 30.674 18.436 1.00 0.00 WAT1 ATOM 4071 H1 TIP3 855 -24.745 30.306 17.563 1.00 0.00 WAT1 ATOM 4072 H2 TIP3 855 -24.101 30.727 18.901 1.00 0.00 WAT1 ATOM 4073 OH2 TIP3 856 -22.440 30.634 19.569 1.00 0.00 WAT1 ATOM 4074 H1 TIP3 856 -21.984 31.041 20.322 1.00 0.00 WAT1 ATOM 4075 H2 TIP3 856 -21.739 30.119 19.120 1.00 0.00 WAT1 ATOM 4076 OH2 TIP3 857 -27.551 40.166 2.799 1.00 0.00 WAT1 ATOM 4077 H1 TIP3 857 -27.033 40.393 3.613 1.00 0.00 WAT1 ATOM 4078 H2 TIP3 857 -28.474 40.072 3.127 1.00 0.00 WAT1 ATOM 4079 OH2 TIP3 858 -7.578 39.807 4.597 1.00 0.00 WAT1 ATOM 4080 H1 TIP3 858 -8.396 39.622 5.108 1.00 0.00 WAT1 ATOM 4081 H2 TIP3 858 -7.057 40.363 5.183 1.00 0.00 WAT1 ATOM 4082 OH2 TIP3 859 -10.327 38.197 8.859 1.00 0.00 WAT1 ATOM 4083 H1 TIP3 859 -10.886 37.443 8.570 1.00 0.00 WAT1 ATOM 4084 H2 TIP3 859 -9.894 37.878 9.658 1.00 0.00 WAT1 ATOM 4085 OH2 TIP3 860 -10.916 35.784 4.243 1.00 0.00 WAT1 ATOM 4086 H1 TIP3 860 -11.633 36.396 4.536 1.00 0.00 WAT1 ATOM 4087 H2 TIP3 860 -10.423 36.295 3.587 1.00 0.00 WAT1 ATOM 4088 OH2 TIP3 861 -12.040 36.229 7.981 1.00 0.00 WAT1 ATOM 4089 H1 TIP3 861 -11.308 35.698 7.576 1.00 0.00 WAT1 ATOM 4090 H2 TIP3 861 -12.653 35.553 8.347 1.00 0.00 WAT1 ATOM 4091 OH2 TIP3 862 -13.368 33.402 6.795 1.00 0.00 WAT1 ATOM 4092 H1 TIP3 862 -14.137 33.445 6.170 1.00 0.00 WAT1 ATOM 4093 H2 TIP3 862 -13.697 33.850 7.604 1.00 0.00 WAT1 ATOM 4094 OH2 TIP3 863 -26.239 36.643 15.466 1.00 0.00 WAT1 ATOM 4095 H1 TIP3 863 -25.258 36.721 15.448 1.00 0.00 WAT1 ATOM 4096 H2 TIP3 863 -26.528 37.426 15.940 1.00 0.00 WAT1 ATOM 4097 OH2 TIP3 864 -25.594 30.083 11.858 1.00 0.00 WAT1 ATOM 4098 H1 TIP3 864 -26.409 29.978 11.313 1.00 0.00 WAT1 ATOM 4099 H2 TIP3 864 -25.736 30.923 12.337 1.00 0.00 WAT1 ATOM 4100 OH2 TIP3 865 -12.223 31.102 17.176 1.00 0.00 WAT1 ATOM 4101 H1 TIP3 865 -12.613 30.842 16.318 1.00 0.00 WAT1 ATOM 4102 H2 TIP3 865 -11.515 31.707 16.940 1.00 0.00 WAT1 ATOM 4103 OH2 TIP3 866 -10.782 28.735 8.341 1.00 0.00 WAT1 ATOM 4104 H1 TIP3 866 -11.703 29.014 8.518 1.00 0.00 WAT1 ATOM 4105 H2 TIP3 866 -10.391 28.633 9.230 1.00 0.00 WAT1 ATOM 4106 OH2 TIP3 867 -13.297 29.859 9.004 1.00 0.00 WAT1 ATOM 4107 H1 TIP3 867 -14.097 29.449 8.602 1.00 0.00 WAT1 ATOM 4108 H2 TIP3 867 -13.649 30.360 9.769 1.00 0.00 WAT1 ATOM 4109 OH2 TIP3 868 -19.445 33.890 8.878 1.00 0.00 WAT1 ATOM 4110 H1 TIP3 868 -19.745 32.951 8.843 1.00 0.00 WAT1 ATOM 4111 H2 TIP3 868 -18.521 33.852 8.579 1.00 0.00 WAT1 ATOM 4112 OH2 TIP3 869 -24.715 29.237 15.981 1.00 0.00 WAT1 ATOM 4113 H1 TIP3 869 -25.653 29.129 15.730 1.00 0.00 WAT1 ATOM 4114 H2 TIP3 869 -24.519 28.435 16.518 1.00 0.00 WAT1 ATOM 4115 OH2 TIP3 870 -24.580 26.867 17.446 1.00 0.00 WAT1 ATOM 4116 H1 TIP3 870 -23.696 26.460 17.531 1.00 0.00 WAT1 ATOM 4117 H2 TIP3 870 -25.094 26.473 18.176 1.00 0.00 WAT1 ATOM 4118 OH2 TIP3 871 -23.151 47.066 4.192 1.00 0.00 WAT1 ATOM 4119 H1 TIP3 871 -23.548 47.203 5.056 1.00 0.00 WAT1 ATOM 4120 H2 TIP3 871 -22.385 46.480 4.369 1.00 0.00 WAT1 ATOM 4121 OH2 TIP3 872 -15.781 30.197 16.724 1.00 0.00 WAT1 ATOM 4122 H1 TIP3 872 -16.518 29.653 16.420 1.00 0.00 WAT1 ATOM 4123 H2 TIP3 872 -16.214 30.993 17.106 1.00 0.00 WAT1 ATOM 4124 OH2 TIP3 873 -27.028 54.910 -39.596 1.00 0.00 WAT1 ATOM 4125 H1 TIP3 873 -27.081 55.600 -38.923 1.00 0.00 WAT1 ATOM 4126 H2 TIP3 873 -26.079 54.640 -39.588 1.00 0.00 WAT1 ATOM 4127 OH2 TIP3 874 -26.338 50.672 -38.495 1.00 0.00 WAT1 ATOM 4128 H1 TIP3 874 -26.354 49.959 -37.838 1.00 0.00 WAT1 ATOM 4129 H2 TIP3 874 -25.545 51.197 -38.259 1.00 0.00 WAT1 ATOM 4130 OH2 TIP3 875 -26.120 58.855 -36.791 1.00 0.00 WAT1 ATOM 4131 H1 TIP3 875 -26.092 57.895 -36.622 1.00 0.00 WAT1 ATOM 4132 H2 TIP3 875 -25.701 58.957 -37.646 1.00 0.00 WAT1 ATOM 4133 OH2 TIP3 876 -25.815 56.149 -36.349 1.00 0.00 WAT1 ATOM 4134 H1 TIP3 876 -24.887 55.883 -36.514 1.00 0.00 WAT1 ATOM 4135 H2 TIP3 876 -25.896 56.147 -35.370 1.00 0.00 WAT1 ATOM 4136 OH2 TIP3 877 -23.161 55.328 -36.782 1.00 0.00 WAT1 ATOM 4137 H1 TIP3 877 -23.090 54.585 -36.145 1.00 0.00 WAT1 ATOM 4138 H2 TIP3 877 -22.257 55.657 -36.865 1.00 0.00 WAT1 ATOM 4139 OH2 TIP3 878 -23.399 53.296 -34.913 1.00 0.00 WAT1 ATOM 4140 H1 TIP3 878 -23.601 53.860 -34.138 1.00 0.00 WAT1 ATOM 4141 H2 TIP3 878 -23.247 52.419 -34.532 1.00 0.00 WAT1 ATOM 4142 OH2 TIP3 879 -27.150 49.605 -40.925 1.00 0.00 WAT1 ATOM 4143 H1 TIP3 879 -26.688 50.115 -40.226 1.00 0.00 WAT1 ATOM 4144 H2 TIP3 879 -28.105 49.810 -40.776 1.00 0.00 WAT1 ATOM 4145 OH2 TIP3 880 -24.231 52.037 -37.309 1.00 0.00 WAT1 ATOM 4146 H1 TIP3 880 -24.268 51.156 -36.873 1.00 0.00 WAT1 ATOM 4147 H2 TIP3 880 -24.017 52.649 -36.582 1.00 0.00 WAT1 ATOM 4148 OH2 TIP3 881 -24.777 49.842 -35.865 1.00 0.00 WAT1 ATOM 4149 H1 TIP3 881 -24.594 48.892 -36.044 1.00 0.00 WAT1 ATOM 4150 H2 TIP3 881 -25.396 49.826 -35.130 1.00 0.00 WAT1 ATOM 4151 OH2 TIP3 882 -22.993 60.264 -25.521 1.00 0.00 WAT1 ATOM 4152 H1 TIP3 882 -22.900 59.379 -25.957 1.00 0.00 WAT1 ATOM 4153 H2 TIP3 882 -22.657 60.885 -26.177 1.00 0.00 WAT1 ATOM 4154 OH2 TIP3 883 -28.164 56.905 -30.836 1.00 0.00 WAT1 ATOM 4155 H1 TIP3 883 -28.697 57.654 -30.484 1.00 0.00 WAT1 ATOM 4156 H2 TIP3 883 -28.572 56.713 -31.708 1.00 0.00 WAT1 ATOM 4157 OH2 TIP3 884 -22.824 57.803 -26.636 1.00 0.00 WAT1 ATOM 4158 H1 TIP3 884 -23.525 57.691 -27.308 1.00 0.00 WAT1 ATOM 4159 H2 TIP3 884 -22.678 56.905 -26.289 1.00 0.00 WAT1 ATOM 4160 OH2 TIP3 885 -25.556 53.327 -25.447 1.00 0.00 WAT1 ATOM 4161 H1 TIP3 885 -25.762 54.238 -25.713 1.00 0.00 WAT1 ATOM 4162 H2 TIP3 885 -25.841 52.784 -26.213 1.00 0.00 WAT1 ATOM 4163 OH2 TIP3 886 -24.609 56.833 -24.355 1.00 0.00 WAT1 ATOM 4164 H1 TIP3 886 -23.827 56.277 -24.585 1.00 0.00 WAT1 ATOM 4165 H2 TIP3 886 -25.190 56.756 -25.130 1.00 0.00 WAT1 ATOM 4166 OH2 TIP3 887 -23.642 50.535 -19.509 1.00 0.00 WAT1 ATOM 4167 H1 TIP3 887 -23.101 50.696 -20.307 1.00 0.00 WAT1 ATOM 4168 H2 TIP3 887 -23.414 51.262 -18.915 1.00 0.00 WAT1 ATOM 4169 OH2 TIP3 888 -19.872 58.526 -24.066 1.00 0.00 WAT1 ATOM 4170 H1 TIP3 888 -20.845 58.521 -23.916 1.00 0.00 WAT1 ATOM 4171 H2 TIP3 888 -19.727 59.276 -24.653 1.00 0.00 WAT1 ATOM 4172 OH2 TIP3 889 -24.072 54.522 -22.173 1.00 0.00 WAT1 ATOM 4173 H1 TIP3 889 -23.545 54.219 -21.400 1.00 0.00 WAT1 ATOM 4174 H2 TIP3 889 -23.765 53.954 -22.906 1.00 0.00 WAT1 ATOM 4175 OH2 TIP3 890 -22.540 58.536 -23.393 1.00 0.00 WAT1 ATOM 4176 H1 TIP3 890 -22.794 59.330 -23.903 1.00 0.00 WAT1 ATOM 4177 H2 TIP3 890 -23.300 57.930 -23.504 1.00 0.00 WAT1 ATOM 4178 OH2 TIP3 891 -22.503 55.265 -25.069 1.00 0.00 WAT1 ATOM 4179 H1 TIP3 891 -21.597 55.417 -24.725 1.00 0.00 WAT1 ATOM 4180 H2 TIP3 891 -22.700 54.341 -24.817 1.00 0.00 WAT1 ATOM 4181 OH2 TIP3 892 -19.859 55.783 -24.233 1.00 0.00 WAT1 ATOM 4182 H1 TIP3 892 -19.060 55.494 -24.690 1.00 0.00 WAT1 ATOM 4183 H2 TIP3 892 -19.768 56.760 -24.183 1.00 0.00 WAT1 ATOM 4184 OH2 TIP3 893 -26.626 62.402 -21.287 1.00 0.00 WAT1 ATOM 4185 H1 TIP3 893 -25.787 62.555 -21.765 1.00 0.00 WAT1 ATOM 4186 H2 TIP3 893 -26.348 62.014 -20.433 1.00 0.00 WAT1 ATOM 4187 OH2 TIP3 894 -22.204 61.416 -21.703 1.00 0.00 WAT1 ATOM 4188 H1 TIP3 894 -22.573 60.793 -21.034 1.00 0.00 WAT1 ATOM 4189 H2 TIP3 894 -21.254 61.289 -21.643 1.00 0.00 WAT1 ATOM 4190 OH2 TIP3 895 -22.321 50.688 -25.797 1.00 0.00 WAT1 ATOM 4191 H1 TIP3 895 -21.733 49.914 -25.880 1.00 0.00 WAT1 ATOM 4192 H2 TIP3 895 -23.005 50.541 -26.479 1.00 0.00 WAT1 ATOM 4193 OH2 TIP3 896 -19.600 54.223 -21.863 1.00 0.00 WAT1 ATOM 4194 H1 TIP3 896 -19.947 54.767 -21.128 1.00 0.00 WAT1 ATOM 4195 H2 TIP3 896 -19.772 54.760 -22.658 1.00 0.00 WAT1 ATOM 4196 OH2 TIP3 897 -27.649 53.128 -31.161 1.00 0.00 WAT1 ATOM 4197 H1 TIP3 897 -27.908 53.666 -31.924 1.00 0.00 WAT1 ATOM 4198 H2 TIP3 897 -28.401 52.529 -31.024 1.00 0.00 WAT1 ATOM 4199 OH2 TIP3 898 -27.557 55.067 -28.921 1.00 0.00 WAT1 ATOM 4200 H1 TIP3 898 -27.750 55.745 -29.606 1.00 0.00 WAT1 ATOM 4201 H2 TIP3 898 -27.432 54.249 -29.431 1.00 0.00 WAT1 ATOM 4202 OH2 TIP3 899 -24.114 54.817 -32.667 1.00 0.00 WAT1 ATOM 4203 H1 TIP3 899 -24.182 55.373 -31.865 1.00 0.00 WAT1 ATOM 4204 H2 TIP3 899 -24.863 55.117 -33.221 1.00 0.00 WAT1 ATOM 4205 OH2 TIP3 900 -23.209 59.710 -19.843 1.00 0.00 WAT1 ATOM 4206 H1 TIP3 900 -22.937 59.531 -18.924 1.00 0.00 WAT1 ATOM 4207 H2 TIP3 900 -23.542 58.847 -20.169 1.00 0.00 WAT1 ATOM 4208 OH2 TIP3 901 -26.300 51.785 -27.566 1.00 0.00 WAT1 ATOM 4209 H1 TIP3 901 -25.711 51.057 -27.274 1.00 0.00 WAT1 ATOM 4210 H2 TIP3 901 -26.082 51.896 -28.514 1.00 0.00 WAT1 ATOM 4211 OH2 TIP3 902 -25.204 57.767 -28.131 1.00 0.00 WAT1 ATOM 4212 H1 TIP3 902 -25.528 58.640 -27.808 1.00 0.00 WAT1 ATOM 4213 H2 TIP3 902 -25.683 57.121 -27.583 1.00 0.00 WAT1 ATOM 4214 OH2 TIP3 903 -20.795 55.678 -19.785 1.00 0.00 WAT1 ATOM 4215 H1 TIP3 903 -20.744 56.557 -20.233 1.00 0.00 WAT1 ATOM 4216 H2 TIP3 903 -20.699 55.882 -18.841 1.00 0.00 WAT1 ATOM 4217 OH2 TIP3 904 -26.298 56.152 -33.632 1.00 0.00 WAT1 ATOM 4218 H1 TIP3 904 -27.277 56.133 -33.559 1.00 0.00 WAT1 ATOM 4219 H2 TIP3 904 -26.012 56.667 -32.856 1.00 0.00 WAT1 ATOM 4220 OH2 TIP3 905 -24.311 62.719 -22.736 1.00 0.00 WAT1 ATOM 4221 H1 TIP3 905 -23.519 62.221 -22.412 1.00 0.00 WAT1 ATOM 4222 H2 TIP3 905 -24.022 63.637 -22.749 1.00 0.00 WAT1 ATOM 4223 OH2 TIP3 906 -25.405 56.674 -30.882 1.00 0.00 WAT1 ATOM 4224 H1 TIP3 906 -26.373 56.802 -30.822 1.00 0.00 WAT1 ATOM 4225 H2 TIP3 906 -25.064 57.058 -30.053 1.00 0.00 WAT1 ATOM 4226 OH2 TIP3 907 -23.256 52.664 -24.151 1.00 0.00 WAT1 ATOM 4227 H1 TIP3 907 -24.140 52.779 -24.574 1.00 0.00 WAT1 ATOM 4228 H2 TIP3 907 -22.829 51.945 -24.680 1.00 0.00 WAT1 ATOM 4229 OH2 TIP3 908 -24.313 57.043 -17.845 1.00 0.00 WAT1 ATOM 4230 H1 TIP3 908 -23.599 57.137 -17.185 1.00 0.00 WAT1 ATOM 4231 H2 TIP3 908 -25.131 57.124 -17.322 1.00 0.00 WAT1 ATOM 4232 OH2 TIP3 909 -24.471 57.264 -20.557 1.00 0.00 WAT1 ATOM 4233 H1 TIP3 909 -24.226 56.449 -21.024 1.00 0.00 WAT1 ATOM 4234 H2 TIP3 909 -24.406 57.024 -19.602 1.00 0.00 WAT1 ATOM 4235 OH2 TIP3 910 -22.606 53.680 -20.091 1.00 0.00 WAT1 ATOM 4236 H1 TIP3 910 -22.816 53.406 -19.171 1.00 0.00 WAT1 ATOM 4237 H2 TIP3 910 -21.935 54.395 -19.981 1.00 0.00 WAT1 ATOM 4238 OH2 TIP3 911 -19.418 51.548 -21.393 1.00 0.00 WAT1 ATOM 4239 H1 TIP3 911 -19.335 52.517 -21.565 1.00 0.00 WAT1 ATOM 4240 H2 TIP3 911 -20.385 51.383 -21.446 1.00 0.00 WAT1 ATOM 4241 OH2 TIP3 912 -20.651 57.863 -21.397 1.00 0.00 WAT1 ATOM 4242 H1 TIP3 912 -21.464 58.087 -21.894 1.00 0.00 WAT1 ATOM 4243 H2 TIP3 912 -19.933 58.100 -22.004 1.00 0.00 WAT1 ATOM 4244 OH2 TIP3 913 -21.346 54.874 -16.981 1.00 0.00 WAT1 ATOM 4245 H1 TIP3 913 -22.099 54.316 -17.262 1.00 0.00 WAT1 ATOM 4246 H2 TIP3 913 -20.708 54.243 -16.624 1.00 0.00 WAT1 ATOM 4247 OH2 TIP3 914 -18.566 48.962 -22.122 1.00 0.00 WAT1 ATOM 4248 H1 TIP3 914 -19.008 49.828 -22.242 1.00 0.00 WAT1 ATOM 4249 H2 TIP3 914 -18.041 49.081 -21.307 1.00 0.00 WAT1 ATOM 4250 OH2 TIP3 915 -18.760 49.653 -17.446 1.00 0.00 WAT1 ATOM 4251 H1 TIP3 915 -18.317 49.827 -18.305 1.00 0.00 WAT1 ATOM 4252 H2 TIP3 915 -19.034 48.718 -17.503 1.00 0.00 WAT1 ATOM 4253 OH2 TIP3 916 -19.123 50.500 -14.904 1.00 0.00 WAT1 ATOM 4254 H1 TIP3 916 -19.043 50.273 -15.868 1.00 0.00 WAT1 ATOM 4255 H2 TIP3 916 -18.230 50.356 -14.556 1.00 0.00 WAT1 ATOM 4256 OH2 TIP3 917 -22.164 51.510 -21.664 1.00 0.00 WAT1 ATOM 4257 H1 TIP3 917 -22.502 51.703 -22.558 1.00 0.00 WAT1 ATOM 4258 H2 TIP3 917 -22.287 52.353 -21.175 1.00 0.00 WAT1 ATOM 4259 OH2 TIP3 918 -25.252 60.133 -16.670 1.00 0.00 WAT1 ATOM 4260 H1 TIP3 918 -24.272 60.068 -16.717 1.00 0.00 WAT1 ATOM 4261 H2 TIP3 918 -25.508 60.501 -17.549 1.00 0.00 WAT1 ATOM 4262 OH2 TIP3 919 -24.326 49.813 -27.532 1.00 0.00 WAT1 ATOM 4263 H1 TIP3 919 -24.155 48.956 -27.085 1.00 0.00 WAT1 ATOM 4264 H2 TIP3 919 -24.464 49.568 -28.459 1.00 0.00 WAT1 ATOM 4265 OH2 TIP3 920 -25.574 51.672 -30.225 1.00 0.00 WAT1 ATOM 4266 H1 TIP3 920 -24.743 51.800 -30.740 1.00 0.00 WAT1 ATOM 4267 H2 TIP3 920 -26.227 52.247 -30.677 1.00 0.00 WAT1 ATOM 4268 OH2 TIP3 921 -23.354 52.416 -31.641 1.00 0.00 WAT1 ATOM 4269 H1 TIP3 921 -22.504 52.519 -31.201 1.00 0.00 WAT1 ATOM 4270 H2 TIP3 921 -23.547 53.305 -32.006 1.00 0.00 WAT1 ATOM 4271 OH2 TIP3 922 -27.319 54.995 -11.657 1.00 0.00 WAT1 ATOM 4272 H1 TIP3 922 -27.668 55.871 -11.388 1.00 0.00 WAT1 ATOM 4273 H2 TIP3 922 -26.621 55.212 -12.320 1.00 0.00 WAT1 ATOM 4274 OH2 TIP3 923 -25.408 56.023 -13.367 1.00 0.00 WAT1 ATOM 4275 H1 TIP3 923 -25.647 56.716 -13.996 1.00 0.00 WAT1 ATOM 4276 H2 TIP3 923 -24.434 55.982 -13.414 1.00 0.00 WAT1 ATOM 4277 OH2 TIP3 924 -23.466 50.219 -6.138 1.00 0.00 WAT1 ATOM 4278 H1 TIP3 924 -22.808 50.679 -6.707 1.00 0.00 WAT1 ATOM 4279 H2 TIP3 924 -24.252 50.138 -6.705 1.00 0.00 WAT1 ATOM 4280 OH2 TIP3 925 -26.292 50.482 -6.829 1.00 0.00 WAT1 ATOM 4281 H1 TIP3 925 -26.386 51.406 -6.569 1.00 0.00 WAT1 ATOM 4282 H2 TIP3 925 -26.540 49.980 -6.026 1.00 0.00 WAT1 ATOM 4283 OH2 TIP3 926 -22.170 49.483 -3.733 1.00 0.00 WAT1 ATOM 4284 H1 TIP3 926 -22.685 49.739 -4.528 1.00 0.00 WAT1 ATOM 4285 H2 TIP3 926 -22.219 48.511 -3.718 1.00 0.00 WAT1 ATOM 4286 OH2 TIP3 927 -14.379 47.503 -3.756 1.00 0.00 WAT1 ATOM 4287 H1 TIP3 927 -14.167 47.214 -2.863 1.00 0.00 WAT1 ATOM 4288 H2 TIP3 927 -15.252 47.950 -3.663 1.00 0.00 WAT1 ATOM 4289 OH2 TIP3 928 -23.194 52.825 -17.560 1.00 0.00 WAT1 ATOM 4290 H1 TIP3 928 -24.119 52.852 -17.216 1.00 0.00 WAT1 ATOM 4291 H2 TIP3 928 -22.683 52.384 -16.841 1.00 0.00 WAT1 ATOM 4292 OH2 TIP3 929 -27.039 52.241 -12.123 1.00 0.00 WAT1 ATOM 4293 H1 TIP3 929 -26.964 51.793 -11.270 1.00 0.00 WAT1 ATOM 4294 H2 TIP3 929 -27.102 53.192 -11.893 1.00 0.00 WAT1 ATOM 4295 OH2 TIP3 930 -27.255 55.153 -16.729 1.00 0.00 WAT1 ATOM 4296 H1 TIP3 930 -26.860 55.978 -16.379 1.00 0.00 WAT1 ATOM 4297 H2 TIP3 930 -26.559 54.478 -16.593 1.00 0.00 WAT1 ATOM 4298 OH2 TIP3 931 -21.199 51.591 -10.581 1.00 0.00 WAT1 ATOM 4299 H1 TIP3 931 -20.550 51.895 -11.249 1.00 0.00 WAT1 ATOM 4300 H2 TIP3 931 -21.108 50.618 -10.596 1.00 0.00 WAT1 ATOM 4301 OH2 TIP3 932 -25.693 52.882 -16.410 1.00 0.00 WAT1 ATOM 4302 H1 TIP3 932 -25.502 52.406 -15.569 1.00 0.00 WAT1 ATOM 4303 H2 TIP3 932 -26.588 52.563 -16.657 1.00 0.00 WAT1 ATOM 4304 OH2 TIP3 933 -22.671 55.551 -13.754 1.00 0.00 WAT1 ATOM 4305 H1 TIP3 933 -22.971 54.686 -14.064 1.00 0.00 WAT1 ATOM 4306 H2 TIP3 933 -22.123 55.344 -12.965 1.00 0.00 WAT1 ATOM 4307 OH2 TIP3 934 -22.941 50.956 -13.268 1.00 0.00 WAT1 ATOM 4308 H1 TIP3 934 -22.927 49.988 -13.476 1.00 0.00 WAT1 ATOM 4309 H2 TIP3 934 -22.669 51.003 -12.340 1.00 0.00 WAT1 ATOM 4310 OH2 TIP3 935 -26.399 57.702 -16.047 1.00 0.00 WAT1 ATOM 4311 H1 TIP3 935 -27.255 57.964 -15.643 1.00 0.00 WAT1 ATOM 4312 H2 TIP3 935 -25.981 58.558 -16.290 1.00 0.00 WAT1 ATOM 4313 OH2 TIP3 936 -26.619 49.270 -4.320 1.00 0.00 WAT1 ATOM 4314 H1 TIP3 936 -25.715 49.550 -4.127 1.00 0.00 WAT1 ATOM 4315 H2 TIP3 936 -26.854 48.685 -3.563 1.00 0.00 WAT1 ATOM 4316 OH2 TIP3 937 -28.623 58.953 -14.997 1.00 0.00 WAT1 ATOM 4317 H1 TIP3 937 -29.248 59.353 -15.614 1.00 0.00 WAT1 ATOM 4318 H2 TIP3 937 -28.082 59.713 -14.676 1.00 0.00 WAT1 ATOM 4319 OH2 TIP3 938 -17.696 50.529 -11.571 1.00 0.00 WAT1 ATOM 4320 H1 TIP3 938 -16.967 51.016 -11.116 1.00 0.00 WAT1 ATOM 4321 H2 TIP3 938 -18.272 51.237 -11.920 1.00 0.00 WAT1 ATOM 4322 OH2 TIP3 939 -21.295 54.448 -11.627 1.00 0.00 WAT1 ATOM 4323 H1 TIP3 939 -20.717 54.883 -10.990 1.00 0.00 WAT1 ATOM 4324 H2 TIP3 939 -21.597 53.646 -11.167 1.00 0.00 WAT1 ATOM 4325 OH2 TIP3 940 -20.056 49.137 -11.172 1.00 0.00 WAT1 ATOM 4326 H1 TIP3 940 -19.129 49.463 -11.164 1.00 0.00 WAT1 ATOM 4327 H2 TIP3 940 -20.129 48.601 -10.356 1.00 0.00 WAT1 ATOM 4328 OH2 TIP3 941 -21.649 51.898 -15.511 1.00 0.00 WAT1 ATOM 4329 H1 TIP3 941 -22.183 51.589 -14.743 1.00 0.00 WAT1 ATOM 4330 H2 TIP3 941 -20.872 51.315 -15.508 1.00 0.00 WAT1 ATOM 4331 OH2 TIP3 942 -29.136 55.836 -18.650 1.00 0.00 WAT1 ATOM 4332 H1 TIP3 942 -29.383 56.783 -18.697 1.00 0.00 WAT1 ATOM 4333 H2 TIP3 942 -28.468 55.792 -17.934 1.00 0.00 WAT1 ATOM 4334 OH2 TIP3 943 -22.538 59.810 -16.943 1.00 0.00 WAT1 ATOM 4335 H1 TIP3 943 -21.862 60.374 -16.548 1.00 0.00 WAT1 ATOM 4336 H2 TIP3 943 -22.336 58.912 -16.596 1.00 0.00 WAT1 ATOM 4337 OH2 TIP3 944 -22.282 57.230 -15.992 1.00 0.00 WAT1 ATOM 4338 H1 TIP3 944 -22.472 56.910 -15.086 1.00 0.00 WAT1 ATOM 4339 H2 TIP3 944 -21.825 56.470 -16.419 1.00 0.00 WAT1 ATOM 4340 OH2 TIP3 945 -19.982 50.382 -2.459 1.00 0.00 WAT1 ATOM 4341 H1 TIP3 945 -20.786 49.997 -2.888 1.00 0.00 WAT1 ATOM 4342 H2 TIP3 945 -20.333 51.048 -1.860 1.00 0.00 WAT1 ATOM 4343 OH2 TIP3 946 -18.421 50.500 -4.689 1.00 0.00 WAT1 ATOM 4344 H1 TIP3 946 -19.095 50.514 -5.379 1.00 0.00 WAT1 ATOM 4345 H2 TIP3 946 -18.934 50.569 -3.851 1.00 0.00 WAT1 ATOM 4346 OH2 TIP3 947 -20.789 48.910 2.088 1.00 0.00 WAT1 ATOM 4347 H1 TIP3 947 -21.161 49.793 2.153 1.00 0.00 WAT1 ATOM 4348 H2 TIP3 947 -21.542 48.354 1.789 1.00 0.00 WAT1 ATOM 4349 OH2 TIP3 948 -26.867 60.994 -14.627 1.00 0.00 WAT1 ATOM 4350 H1 TIP3 948 -26.253 60.748 -15.353 1.00 0.00 WAT1 ATOM 4351 H2 TIP3 948 -26.537 61.842 -14.316 1.00 0.00 WAT1 ATOM 4352 OH2 TIP3 949 -26.390 49.730 -9.509 1.00 0.00 WAT1 ATOM 4353 H1 TIP3 949 -25.562 49.217 -9.443 1.00 0.00 WAT1 ATOM 4354 H2 TIP3 949 -26.541 50.048 -8.596 1.00 0.00 WAT1 ATOM 4355 OH2 TIP3 950 -31.299 49.523 -7.162 1.00 0.00 WAT1 ATOM 4356 H1 TIP3 950 -30.604 49.465 -6.476 1.00 0.00 WAT1 ATOM 4357 H2 TIP3 950 -30.882 49.151 -7.954 1.00 0.00 WAT1 ATOM 4358 OH2 TIP3 951 -21.722 51.647 -7.765 1.00 0.00 WAT1 ATOM 4359 H1 TIP3 951 -21.623 51.580 -8.734 1.00 0.00 WAT1 ATOM 4360 H2 TIP3 951 -21.222 52.432 -7.530 1.00 0.00 WAT1 ATOM 4361 OH2 TIP3 952 -15.732 52.014 -10.419 1.00 0.00 WAT1 ATOM 4362 H1 TIP3 952 -14.949 52.407 -10.812 1.00 0.00 WAT1 ATOM 4363 H2 TIP3 952 -15.494 51.904 -9.468 1.00 0.00 WAT1 ATOM 4364 OH2 TIP3 953 -22.664 48.359 -13.885 1.00 0.00 WAT1 ATOM 4365 H1 TIP3 953 -21.708 48.155 -13.937 1.00 0.00 WAT1 ATOM 4366 H2 TIP3 953 -23.060 47.547 -13.522 1.00 0.00 WAT1 ATOM 4367 OH2 TIP3 954 -19.573 52.215 -12.722 1.00 0.00 WAT1 ATOM 4368 H1 TIP3 954 -19.570 51.681 -13.544 1.00 0.00 WAT1 ATOM 4369 H2 TIP3 954 -19.886 53.087 -13.006 1.00 0.00 WAT1 ATOM 4370 OH2 TIP3 955 -26.940 47.651 -2.072 1.00 0.00 WAT1 ATOM 4371 H1 TIP3 955 -26.123 47.381 -1.627 1.00 0.00 WAT1 ATOM 4372 H2 TIP3 955 -27.620 47.585 -1.375 1.00 0.00 WAT1 ATOM 4373 OH2 TIP3 956 -19.102 47.506 3.700 1.00 0.00 WAT1 ATOM 4374 H1 TIP3 956 -19.653 47.956 3.013 1.00 0.00 WAT1 ATOM 4375 H2 TIP3 956 -18.521 48.201 4.027 1.00 0.00 WAT1 ATOM 4376 OH2 TIP3 957 9.747 -9.223 15.266 1.00 0.00 WAT1 ATOM 4377 H1 TIP3 957 10.343 -9.431 14.535 1.00 0.00 WAT1 ATOM 4378 H2 TIP3 957 8.959 -9.758 15.091 1.00 0.00 WAT1 ATOM 4379 OH2 TIP3 958 8.810 -5.828 21.082 1.00 0.00 WAT1 ATOM 4380 H1 TIP3 958 9.587 -5.368 20.687 1.00 0.00 WAT1 ATOM 4381 H2 TIP3 958 8.432 -6.327 20.345 1.00 0.00 WAT1 ATOM 4382 OH2 TIP3 959 7.293 -8.640 18.363 1.00 0.00 WAT1 ATOM 4383 H1 TIP3 959 8.247 -8.838 18.457 1.00 0.00 WAT1 ATOM 4384 H2 TIP3 959 6.893 -9.508 18.128 1.00 0.00 WAT1 ATOM 4385 OH2 TIP3 960 6.657 -11.267 17.931 1.00 0.00 WAT1 ATOM 4386 H1 TIP3 960 7.170 -11.462 18.752 1.00 0.00 WAT1 ATOM 4387 H2 TIP3 960 6.203 -12.091 17.736 1.00 0.00 WAT1 ATOM 4388 OH2 TIP3 961 10.044 -9.252 18.090 1.00 0.00 WAT1 ATOM 4389 H1 TIP3 961 10.026 -9.242 17.112 1.00 0.00 WAT1 ATOM 4390 H2 TIP3 961 10.510 -8.420 18.330 1.00 0.00 WAT1 ATOM 4391 OH2 TIP3 962 4.219 -12.021 30.612 1.00 0.00 WAT1 ATOM 4392 H1 TIP3 962 3.617 -12.477 31.208 1.00 0.00 WAT1 ATOM 4393 H2 TIP3 962 4.378 -12.652 29.906 1.00 0.00 WAT1 ATOM 4394 OH2 TIP3 963 11.105 -11.605 26.997 1.00 0.00 WAT1 ATOM 4395 H1 TIP3 963 11.830 -11.686 27.658 1.00 0.00 WAT1 ATOM 4396 H2 TIP3 963 11.557 -11.639 26.150 1.00 0.00 WAT1 ATOM 4397 OH2 TIP3 964 7.097 -8.242 28.526 1.00 0.00 WAT1 ATOM 4398 H1 TIP3 964 7.883 -8.702 28.159 1.00 0.00 WAT1 ATOM 4399 H2 TIP3 964 6.943 -8.688 29.394 1.00 0.00 WAT1 ATOM 4400 OH2 TIP3 965 7.284 -9.846 22.332 1.00 0.00 WAT1 ATOM 4401 H1 TIP3 965 8.177 -9.635 22.689 1.00 0.00 WAT1 ATOM 4402 H2 TIP3 965 6.769 -10.105 23.122 1.00 0.00 WAT1 ATOM 4403 OH2 TIP3 966 5.686 -10.394 24.545 1.00 0.00 WAT1 ATOM 4404 H1 TIP3 966 4.900 -10.326 23.959 1.00 0.00 WAT1 ATOM 4405 H2 TIP3 966 5.415 -9.922 25.363 1.00 0.00 WAT1 ATOM 4406 OH2 TIP3 967 5.492 -8.490 20.831 1.00 0.00 WAT1 ATOM 4407 H1 TIP3 967 6.199 -8.967 21.324 1.00 0.00 WAT1 ATOM 4408 H2 TIP3 967 5.839 -8.429 19.923 1.00 0.00 WAT1 ATOM 4409 OH2 TIP3 968 5.092 -8.942 26.805 1.00 0.00 WAT1 ATOM 4410 H1 TIP3 968 4.372 -9.198 27.395 1.00 0.00 WAT1 ATOM 4411 H2 TIP3 968 5.815 -8.662 27.415 1.00 0.00 WAT1 ATOM 4412 OH2 TIP3 969 8.212 -11.210 25.263 1.00 0.00 WAT1 ATOM 4413 H1 TIP3 969 7.279 -11.065 24.999 1.00 0.00 WAT1 ATOM 4414 H2 TIP3 969 8.222 -12.105 25.624 1.00 0.00 WAT1 ATOM 4415 OH2 TIP3 970 9.517 -9.822 31.046 1.00 0.00 WAT1 ATOM 4416 H1 TIP3 970 9.770 -9.256 30.288 1.00 0.00 WAT1 ATOM 4417 H2 TIP3 970 8.541 -9.815 31.032 1.00 0.00 WAT1 ATOM 4418 OH2 TIP3 971 8.030 -11.528 20.251 1.00 0.00 WAT1 ATOM 4419 H1 TIP3 971 7.717 -10.995 21.009 1.00 0.00 WAT1 ATOM 4420 H2 TIP3 971 9.000 -11.515 20.335 1.00 0.00 WAT1 ATOM 4421 OH2 TIP3 972 9.546 -10.017 34.783 1.00 0.00 WAT1 ATOM 4422 H1 TIP3 972 9.152 -10.766 35.244 1.00 0.00 WAT1 ATOM 4423 H2 TIP3 972 10.131 -10.433 34.104 1.00 0.00 WAT1 ATOM 4424 OH2 TIP3 973 10.958 -11.309 32.820 1.00 0.00 WAT1 ATOM 4425 H1 TIP3 973 10.433 -10.929 32.082 1.00 0.00 WAT1 ATOM 4426 H2 TIP3 973 11.694 -11.758 32.380 1.00 0.00 WAT1 ATOM 4427 OH2 TIP3 974 10.380 -8.069 29.100 1.00 0.00 WAT1 ATOM 4428 H1 TIP3 974 10.037 -8.524 28.305 1.00 0.00 WAT1 ATOM 4429 H2 TIP3 974 11.309 -8.387 29.178 1.00 0.00 WAT1 ATOM 4430 OH2 TIP3 975 6.686 -9.429 30.940 1.00 0.00 WAT1 ATOM 4431 H1 TIP3 975 6.910 -9.025 31.815 1.00 0.00 WAT1 ATOM 4432 H2 TIP3 975 6.003 -10.083 31.149 1.00 0.00 WAT1 ATOM 4433 OH2 TIP3 976 6.417 -4.332 36.424 1.00 0.00 WAT1 ATOM 4434 H1 TIP3 976 6.351 -3.512 35.897 1.00 0.00 WAT1 ATOM 4435 H2 TIP3 976 5.504 -4.616 36.538 1.00 0.00 WAT1 ATOM 4436 OH2 TIP3 977 9.170 -9.754 27.368 1.00 0.00 WAT1 ATOM 4437 H1 TIP3 977 9.917 -10.396 27.424 1.00 0.00 WAT1 ATOM 4438 H2 TIP3 977 8.664 -10.058 26.591 1.00 0.00 WAT1 ATOM 4439 OH2 TIP3 978 -8.784 11.101 0.917 1.00 0.00 WAT1 ATOM 4440 H1 TIP3 978 -8.235 11.281 0.129 1.00 0.00 WAT1 ATOM 4441 H2 TIP3 978 -8.306 11.523 1.645 1.00 0.00 WAT1 ATOM 4442 OH2 TIP3 979 -12.392 11.990 -6.369 1.00 0.00 WAT1 ATOM 4443 H1 TIP3 979 -12.488 11.453 -7.189 1.00 0.00 WAT1 ATOM 4444 H2 TIP3 979 -12.234 12.901 -6.701 1.00 0.00 WAT1 ATOM 4445 OH2 TIP3 980 -4.958 12.989 -4.237 1.00 0.00 WAT1 ATOM 4446 H1 TIP3 980 -5.916 13.006 -4.062 1.00 0.00 WAT1 ATOM 4447 H2 TIP3 980 -4.822 12.154 -4.725 1.00 0.00 WAT1 ATOM 4448 OH2 TIP3 981 -0.401 3.703 8.717 1.00 0.00 WAT1 ATOM 4449 H1 TIP3 981 0.002 2.821 8.553 1.00 0.00 WAT1 ATOM 4450 H2 TIP3 981 -0.937 3.865 7.934 1.00 0.00 WAT1 ATOM 4451 OH2 TIP3 982 1.201 4.478 12.161 1.00 0.00 WAT1 ATOM 4452 H1 TIP3 982 0.694 5.126 11.618 1.00 0.00 WAT1 ATOM 4453 H2 TIP3 982 2.095 4.479 11.753 1.00 0.00 WAT1 ATOM 4454 OH2 TIP3 983 -8.122 3.006 14.066 1.00 0.00 WAT1 ATOM 4455 H1 TIP3 983 -7.742 2.217 13.627 1.00 0.00 WAT1 ATOM 4456 H2 TIP3 983 -8.465 3.553 13.326 1.00 0.00 WAT1 ATOM 4457 OH2 TIP3 984 0.449 -0.193 13.330 1.00 0.00 WAT1 ATOM 4458 H1 TIP3 984 0.182 -0.102 12.385 1.00 0.00 WAT1 ATOM 4459 H2 TIP3 984 1.075 0.545 13.470 1.00 0.00 WAT1 ATOM 4460 OH2 TIP3 985 -5.480 -1.631 14.151 1.00 0.00 WAT1 ATOM 4461 H1 TIP3 985 -5.830 -2.283 13.529 1.00 0.00 WAT1 ATOM 4462 H2 TIP3 985 -4.614 -2.016 14.437 1.00 0.00 WAT1 ATOM 4463 OH2 TIP3 986 0.271 1.081 8.069 1.00 0.00 WAT1 ATOM 4464 H1 TIP3 986 1.178 0.717 7.925 1.00 0.00 WAT1 ATOM 4465 H2 TIP3 986 -0.282 0.580 7.457 1.00 0.00 WAT1 ATOM 4466 OH2 TIP3 987 12.125 -3.969 17.328 1.00 0.00 WAT1 ATOM 4467 H1 TIP3 987 11.882 -3.014 17.275 1.00 0.00 WAT1 ATOM 4468 H2 TIP3 987 11.596 -4.385 16.639 1.00 0.00 WAT1 ATOM 4469 OH2 TIP3 988 0.519 -2.473 14.909 1.00 0.00 WAT1 ATOM 4470 H1 TIP3 988 0.642 -1.926 14.106 1.00 0.00 WAT1 ATOM 4471 H2 TIP3 988 -0.110 -1.960 15.445 1.00 0.00 WAT1 ATOM 4472 OH2 TIP3 989 -2.150 9.708 9.133 1.00 0.00 WAT1 ATOM 4473 H1 TIP3 989 -2.469 9.952 8.250 1.00 0.00 WAT1 ATOM 4474 H2 TIP3 989 -2.807 10.098 9.737 1.00 0.00 WAT1 ATOM 4475 OH2 TIP3 990 2.800 7.487 11.093 1.00 0.00 WAT1 ATOM 4476 H1 TIP3 990 2.167 8.180 10.836 1.00 0.00 WAT1 ATOM 4477 H2 TIP3 990 3.281 7.869 11.854 1.00 0.00 WAT1 ATOM 4478 OH2 TIP3 991 3.222 -2.097 15.374 1.00 0.00 WAT1 ATOM 4479 H1 TIP3 991 3.413 -2.547 16.219 1.00 0.00 WAT1 ATOM 4480 H2 TIP3 991 2.323 -2.400 15.140 1.00 0.00 WAT1 ATOM 4481 OH2 TIP3 992 8.481 4.197 15.390 1.00 0.00 WAT1 ATOM 4482 H1 TIP3 992 7.631 3.987 14.945 1.00 0.00 WAT1 ATOM 4483 H2 TIP3 992 8.274 4.990 15.933 1.00 0.00 WAT1 ATOM 4484 OH2 TIP3 993 9.174 2.509 17.759 1.00 0.00 WAT1 ATOM 4485 H1 TIP3 993 8.520 2.678 17.057 1.00 0.00 WAT1 ATOM 4486 H2 TIP3 993 10.032 2.717 17.339 1.00 0.00 WAT1 ATOM 4487 OH2 TIP3 994 6.018 1.385 19.025 1.00 0.00 WAT1 ATOM 4488 H1 TIP3 994 6.189 2.197 18.525 1.00 0.00 WAT1 ATOM 4489 H2 TIP3 994 5.155 1.074 18.681 1.00 0.00 WAT1 ATOM 4490 OH2 TIP3 995 0.504 6.620 14.079 1.00 0.00 WAT1 ATOM 4491 H1 TIP3 995 0.702 5.930 13.424 1.00 0.00 WAT1 ATOM 4492 H2 TIP3 995 0.915 6.285 14.907 1.00 0.00 WAT1 ATOM 4493 OH2 TIP3 996 4.438 7.923 13.428 1.00 0.00 WAT1 ATOM 4494 H1 TIP3 996 5.363 8.136 13.604 1.00 0.00 WAT1 ATOM 4495 H2 TIP3 996 3.966 8.228 14.230 1.00 0.00 WAT1 ATOM 4496 OH2 TIP3 997 3.369 4.926 10.527 1.00 0.00 WAT1 ATOM 4497 H1 TIP3 997 3.464 4.841 9.573 1.00 0.00 WAT1 ATOM 4498 H2 TIP3 997 3.166 5.886 10.666 1.00 0.00 WAT1 ATOM 4499 OH2 TIP3 998 -1.105 3.106 11.353 1.00 0.00 WAT1 ATOM 4500 H1 TIP3 998 -0.413 3.523 11.903 1.00 0.00 WAT1 ATOM 4501 H2 TIP3 998 -0.965 3.491 10.462 1.00 0.00 WAT1 ATOM 4502 OH2 TIP3 999 -8.527 5.173 17.528 1.00 0.00 WAT1 ATOM 4503 H1 TIP3 999 -9.044 5.397 16.727 1.00 0.00 WAT1 ATOM 4504 H2 TIP3 999 -8.041 4.358 17.276 1.00 0.00 WAT1 ATOM 4505 OH2 TIP3 1000 7.518 6.208 16.981 1.00 0.00 WAT1 ATOM 4506 H1 TIP3 1000 7.612 6.104 17.935 1.00 0.00 WAT1 ATOM 4507 H2 TIP3 1000 6.691 6.719 16.875 1.00 0.00 WAT1 ATOM 4508 OH2 TIP3 1001 -2.226 7.720 11.336 1.00 0.00 WAT1 ATOM 4509 H1 TIP3 1001 -1.540 7.052 11.138 1.00 0.00 WAT1 ATOM 4510 H2 TIP3 1001 -2.068 8.423 10.685 1.00 0.00 WAT1 ATOM 4511 OH2 TIP3 1002 2.986 -2.657 18.088 1.00 0.00 WAT1 ATOM 4512 H1 TIP3 1002 2.727 -1.727 17.980 1.00 0.00 WAT1 ATOM 4513 H2 TIP3 1002 2.283 -3.034 18.635 1.00 0.00 WAT1 ATOM 4514 OH2 TIP3 1003 -1.246 -0.454 15.502 1.00 0.00 WAT1 ATOM 4515 H1 TIP3 1003 -2.032 0.126 15.410 1.00 0.00 WAT1 ATOM 4516 H2 TIP3 1003 -0.656 -0.174 14.765 1.00 0.00 WAT1 ATOM 4517 OH2 TIP3 1004 -0.135 0.586 10.796 1.00 0.00 WAT1 ATOM 4518 H1 TIP3 1004 0.017 0.675 9.839 1.00 0.00 WAT1 ATOM 4519 H2 TIP3 1004 -0.604 1.408 11.040 1.00 0.00 WAT1 ATOM 4520 OH2 TIP3 1005 -0.402 -3.378 18.192 1.00 0.00 WAT1 ATOM 4521 H1 TIP3 1005 -1.368 -3.450 18.320 1.00 0.00 WAT1 ATOM 4522 H2 TIP3 1005 -0.239 -3.833 17.357 1.00 0.00 WAT1 ATOM 4523 OH2 TIP3 1006 -3.710 0.591 14.736 1.00 0.00 WAT1 ATOM 4524 H1 TIP3 1006 -3.497 1.222 14.007 1.00 0.00 WAT1 ATOM 4525 H2 TIP3 1006 -4.176 -0.133 14.287 1.00 0.00 WAT1 ATOM 4526 OH2 TIP3 1007 6.340 1.373 15.920 1.00 0.00 WAT1 ATOM 4527 H1 TIP3 1007 6.459 2.155 15.349 1.00 0.00 WAT1 ATOM 4528 H2 TIP3 1007 5.446 1.052 15.695 1.00 0.00 WAT1 ATOM 4529 OH2 TIP3 1008 2.684 -0.102 7.620 1.00 0.00 WAT1 ATOM 4530 H1 TIP3 1008 3.190 -0.426 6.866 1.00 0.00 WAT1 ATOM 4531 H2 TIP3 1008 3.194 -0.384 8.389 1.00 0.00 WAT1 ATOM 4532 OH2 TIP3 1009 3.237 8.987 15.749 1.00 0.00 WAT1 ATOM 4533 H1 TIP3 1009 3.170 9.791 16.280 1.00 0.00 WAT1 ATOM 4534 H2 TIP3 1009 2.392 8.966 15.244 1.00 0.00 WAT1 ATOM 4535 OH2 TIP3 1010 1.793 2.172 13.763 1.00 0.00 WAT1 ATOM 4536 H1 TIP3 1010 1.097 2.380 14.437 1.00 0.00 WAT1 ATOM 4537 H2 TIP3 1010 1.662 2.851 13.073 1.00 0.00 WAT1 ATOM 4538 OH2 TIP3 1011 -0.044 2.934 15.549 1.00 0.00 WAT1 ATOM 4539 H1 TIP3 1011 -0.999 3.146 15.526 1.00 0.00 WAT1 ATOM 4540 H2 TIP3 1011 0.231 3.181 16.454 1.00 0.00 WAT1 ATOM 4541 OH2 TIP3 1012 5.347 5.452 12.407 1.00 0.00 WAT1 ATOM 4542 H1 TIP3 1012 4.905 6.254 12.741 1.00 0.00 WAT1 ATOM 4543 H2 TIP3 1012 4.769 5.144 11.685 1.00 0.00 WAT1 ATOM 4544 OH2 TIP3 1013 -7.491 2.716 16.705 1.00 0.00 WAT1 ATOM 4545 H1 TIP3 1013 -7.718 2.871 15.756 1.00 0.00 WAT1 ATOM 4546 H2 TIP3 1013 -6.996 1.880 16.696 1.00 0.00 WAT1 ATOM 4547 OH2 TIP3 1014 10.578 2.990 14.168 1.00 0.00 WAT1 ATOM 4548 H1 TIP3 1014 10.355 2.936 13.234 1.00 0.00 WAT1 ATOM 4549 H2 TIP3 1014 9.806 3.452 14.575 1.00 0.00 WAT1 ATOM 4550 OH2 TIP3 1015 -4.750 9.567 10.584 1.00 0.00 WAT1 ATOM 4551 H1 TIP3 1015 -4.470 8.642 10.667 1.00 0.00 WAT1 ATOM 4552 H2 TIP3 1015 -5.473 9.658 11.245 1.00 0.00 WAT1 ATOM 4553 OH2 TIP3 1016 -0.092 6.118 10.429 1.00 0.00 WAT1 ATOM 4554 H1 TIP3 1016 0.298 6.983 10.175 1.00 0.00 WAT1 ATOM 4555 H2 TIP3 1016 -0.057 5.588 9.613 1.00 0.00 WAT1 ATOM 4556 OH2 TIP3 1017 -2.170 7.515 14.176 1.00 0.00 WAT1 ATOM 4557 H1 TIP3 1017 -2.333 7.701 13.230 1.00 0.00 WAT1 ATOM 4558 H2 TIP3 1017 -1.244 7.211 14.204 1.00 0.00 WAT1 ATOM 4559 OH2 TIP3 1018 0.389 8.924 10.203 1.00 0.00 WAT1 ATOM 4560 H1 TIP3 1018 0.304 9.494 10.998 1.00 0.00 WAT1 ATOM 4561 H2 TIP3 1018 -0.299 9.263 9.597 1.00 0.00 WAT1 ATOM 4562 OH2 TIP3 1019 3.501 3.837 15.189 1.00 0.00 WAT1 ATOM 4563 H1 TIP3 1019 2.972 3.188 14.684 1.00 0.00 WAT1 ATOM 4564 H2 TIP3 1019 2.859 4.548 15.412 1.00 0.00 WAT1 ATOM 4565 OH2 TIP3 1020 5.222 7.731 17.251 1.00 0.00 WAT1 ATOM 4566 H1 TIP3 1020 4.461 7.954 16.672 1.00 0.00 WAT1 ATOM 4567 H2 TIP3 1020 5.334 8.513 17.804 1.00 0.00 WAT1 ATOM 4568 OH2 TIP3 1021 3.767 0.567 15.263 1.00 0.00 WAT1 ATOM 4569 H1 TIP3 1021 3.177 0.976 14.603 1.00 0.00 WAT1 ATOM 4570 H2 TIP3 1021 3.639 -0.404 15.135 1.00 0.00 WAT1 ATOM 4571 OH2 TIP3 1022 3.587 0.916 17.949 1.00 0.00 WAT1 ATOM 4572 H1 TIP3 1022 2.721 0.516 18.180 1.00 0.00 WAT1 ATOM 4573 H2 TIP3 1022 3.663 0.773 16.976 1.00 0.00 WAT1 ATOM 4574 OH2 TIP3 1023 8.377 0.067 18.740 1.00 0.00 WAT1 ATOM 4575 H1 TIP3 1023 7.523 0.493 18.981 1.00 0.00 WAT1 ATOM 4576 H2 TIP3 1023 8.935 0.816 18.443 1.00 0.00 WAT1 ATOM 4577 OH2 TIP3 1024 -9.215 8.864 12.456 1.00 0.00 WAT1 ATOM 4578 H1 TIP3 1024 -9.039 8.076 11.897 1.00 0.00 WAT1 ATOM 4579 H2 TIP3 1024 -9.883 9.377 11.934 1.00 0.00 WAT1 ATOM 4580 OH2 TIP3 1025 -4.835 4.387 21.160 1.00 0.00 WAT1 ATOM 4581 H1 TIP3 1025 -5.049 3.433 21.110 1.00 0.00 WAT1 ATOM 4582 H2 TIP3 1025 -5.647 4.831 20.830 1.00 0.00 WAT1 ATOM 4583 OH2 TIP3 1026 4.448 3.474 17.701 1.00 0.00 WAT1 ATOM 4584 H1 TIP3 1026 4.155 3.650 16.780 1.00 0.00 WAT1 ATOM 4585 H2 TIP3 1026 4.086 2.587 17.900 1.00 0.00 WAT1 ATOM 4586 OH2 TIP3 1027 -6.115 3.611 23.941 1.00 0.00 WAT1 ATOM 4587 H1 TIP3 1027 -6.255 2.644 23.984 1.00 0.00 WAT1 ATOM 4588 H2 TIP3 1027 -6.609 3.884 23.144 1.00 0.00 WAT1 ATOM 4589 OH2 TIP3 1028 -2.941 -2.497 14.657 1.00 0.00 WAT1 ATOM 4590 H1 TIP3 1028 -2.386 -1.789 15.043 1.00 0.00 WAT1 ATOM 4591 H2 TIP3 1028 -2.304 -3.149 14.340 1.00 0.00 WAT1 ATOM 4592 OH2 TIP3 1029 -5.609 -1.966 18.254 1.00 0.00 WAT1 ATOM 4593 H1 TIP3 1029 -5.707 -1.152 17.721 1.00 0.00 WAT1 ATOM 4594 H2 TIP3 1029 -6.484 -2.366 18.238 1.00 0.00 WAT1 ATOM 4595 OH2 TIP3 1030 0.756 3.670 18.068 1.00 0.00 WAT1 ATOM 4596 H1 TIP3 1030 0.663 2.832 18.535 1.00 0.00 WAT1 ATOM 4597 H2 TIP3 1030 1.241 4.247 18.707 1.00 0.00 WAT1 ATOM 4598 OH2 TIP3 1031 -3.079 -2.916 18.864 1.00 0.00 WAT1 ATOM 4599 H1 TIP3 1031 -2.816 -1.991 18.782 1.00 0.00 WAT1 ATOM 4600 H2 TIP3 1031 -4.041 -2.907 18.661 1.00 0.00 WAT1 ATOM 4601 OH2 TIP3 1032 1.283 -0.406 18.347 1.00 0.00 WAT1 ATOM 4602 H1 TIP3 1032 0.580 -0.584 17.705 1.00 0.00 WAT1 ATOM 4603 H2 TIP3 1032 1.064 -0.980 19.111 1.00 0.00 WAT1 ATOM 4604 OH2 TIP3 1033 2.596 -4.510 21.988 1.00 0.00 WAT1 ATOM 4605 H1 TIP3 1033 1.793 -5.021 21.715 1.00 0.00 WAT1 ATOM 4606 H2 TIP3 1033 3.290 -5.197 22.096 1.00 0.00 WAT1 ATOM 4607 OH2 TIP3 1034 0.246 -5.695 21.492 1.00 0.00 WAT1 ATOM 4608 H1 TIP3 1034 -0.221 -6.518 21.662 1.00 0.00 WAT1 ATOM 4609 H2 TIP3 1034 -0.469 -5.046 21.301 1.00 0.00 WAT1 ATOM 4610 OH2 TIP3 1035 7.437 4.971 24.667 1.00 0.00 WAT1 ATOM 4611 H1 TIP3 1035 6.954 4.695 23.867 1.00 0.00 WAT1 ATOM 4612 H2 TIP3 1035 8.343 5.159 24.343 1.00 0.00 WAT1 ATOM 4613 OH2 TIP3 1036 6.059 3.643 14.296 1.00 0.00 WAT1 ATOM 4614 H1 TIP3 1036 5.994 4.233 13.509 1.00 0.00 WAT1 ATOM 4615 H2 TIP3 1036 5.164 3.692 14.699 1.00 0.00 WAT1 ATOM 4616 OH2 TIP3 1037 -3.329 1.835 12.358 1.00 0.00 WAT1 ATOM 4617 H1 TIP3 1037 -3.987 2.076 11.701 1.00 0.00 WAT1 ATOM 4618 H2 TIP3 1037 -2.510 2.280 12.054 1.00 0.00 WAT1 ATOM 4619 OH2 TIP3 1038 7.394 3.294 22.386 1.00 0.00 WAT1 ATOM 4620 H1 TIP3 1038 8.178 3.066 22.940 1.00 0.00 WAT1 ATOM 4621 H2 TIP3 1038 7.734 3.263 21.479 1.00 0.00 WAT1 ATOM 4622 OH2 TIP3 1039 8.035 -3.800 22.735 1.00 0.00 WAT1 ATOM 4623 H1 TIP3 1039 8.187 -4.654 22.274 1.00 0.00 WAT1 ATOM 4624 H2 TIP3 1039 8.910 -3.352 22.704 1.00 0.00 WAT1 ATOM 4625 OH2 TIP3 1040 6.951 -1.540 17.029 1.00 0.00 WAT1 ATOM 4626 H1 TIP3 1040 6.552 -0.961 16.363 1.00 0.00 WAT1 ATOM 4627 H2 TIP3 1040 7.512 -0.939 17.558 1.00 0.00 WAT1 ATOM 4628 OH2 TIP3 1041 -7.254 0.458 13.349 1.00 0.00 WAT1 ATOM 4629 H1 TIP3 1041 -8.071 -0.007 13.547 1.00 0.00 WAT1 ATOM 4630 H2 TIP3 1041 -6.554 -0.179 13.574 1.00 0.00 WAT1 ATOM 4631 OH2 TIP3 1042 11.171 -6.843 18.694 1.00 0.00 WAT1 ATOM 4632 H1 TIP3 1042 10.908 -6.657 17.764 1.00 0.00 WAT1 ATOM 4633 H2 TIP3 1042 11.145 -5.963 19.127 1.00 0.00 WAT1 ATOM 4634 OH2 TIP3 1043 1.740 5.611 16.283 1.00 0.00 WAT1 ATOM 4635 H1 TIP3 1043 1.793 6.373 16.904 1.00 0.00 WAT1 ATOM 4636 H2 TIP3 1043 1.278 4.919 16.797 1.00 0.00 WAT1 ATOM 4637 OH2 TIP3 1044 7.246 -6.286 16.962 1.00 0.00 WAT1 ATOM 4638 H1 TIP3 1044 6.411 -6.246 16.481 1.00 0.00 WAT1 ATOM 4639 H2 TIP3 1044 7.178 -7.112 17.498 1.00 0.00 WAT1 ATOM 4640 OH2 TIP3 1045 -0.217 10.682 12.241 1.00 0.00 WAT1 ATOM 4641 H1 TIP3 1045 0.063 11.600 12.330 1.00 0.00 WAT1 ATOM 4642 H2 TIP3 1045 -1.198 10.741 12.113 1.00 0.00 WAT1 ATOM 4643 OH2 TIP3 1046 0.931 9.333 14.324 1.00 0.00 WAT1 ATOM 4644 H1 TIP3 1046 0.474 9.775 13.574 1.00 0.00 WAT1 ATOM 4645 H2 TIP3 1046 0.691 8.385 14.223 1.00 0.00 WAT1 ATOM 4646 OH2 TIP3 1047 -6.559 9.733 12.670 1.00 0.00 WAT1 ATOM 4647 H1 TIP3 1047 -7.488 9.426 12.594 1.00 0.00 WAT1 ATOM 4648 H2 TIP3 1047 -6.257 9.373 13.536 1.00 0.00 WAT1 ATOM 4649 OH2 TIP3 1048 -8.145 11.239 7.294 1.00 0.00 WAT1 ATOM 4650 H1 TIP3 1048 -8.046 12.073 6.786 1.00 0.00 WAT1 ATOM 4651 H2 TIP3 1048 -7.265 11.111 7.715 1.00 0.00 WAT1 ATOM 4652 OH2 TIP3 1049 4.481 -6.404 22.345 1.00 0.00 WAT1 ATOM 4653 H1 TIP3 1049 4.942 -6.618 23.187 1.00 0.00 WAT1 ATOM 4654 H2 TIP3 1049 4.820 -7.074 21.709 1.00 0.00 WAT1 ATOM 4655 OH2 TIP3 1050 5.149 5.635 19.065 1.00 0.00 WAT1 ATOM 4656 H1 TIP3 1050 5.159 6.309 18.357 1.00 0.00 WAT1 ATOM 4657 H2 TIP3 1050 5.002 4.784 18.585 1.00 0.00 WAT1 ATOM 4658 OH2 TIP3 1051 3.725 2.094 29.619 1.00 0.00 WAT1 ATOM 4659 H1 TIP3 1051 4.635 2.065 29.987 1.00 0.00 WAT1 ATOM 4660 H2 TIP3 1051 3.163 2.312 30.392 1.00 0.00 WAT1 ATOM 4661 OH2 TIP3 1052 6.231 1.818 30.589 1.00 0.00 WAT1 ATOM 4662 H1 TIP3 1052 6.098 2.502 31.270 1.00 0.00 WAT1 ATOM 4663 H2 TIP3 1052 7.015 2.129 30.085 1.00 0.00 WAT1 ATOM 4664 OH2 TIP3 1053 -6.064 4.863 30.396 1.00 0.00 WAT1 ATOM 4665 H1 TIP3 1053 -5.910 5.762 30.695 1.00 0.00 WAT1 ATOM 4666 H2 TIP3 1053 -6.684 4.494 31.062 1.00 0.00 WAT1 ATOM 4667 OH2 TIP3 1054 -4.131 0.915 27.772 1.00 0.00 WAT1 ATOM 4668 H1 TIP3 1054 -4.348 1.804 28.124 1.00 0.00 WAT1 ATOM 4669 H2 TIP3 1054 -4.870 0.365 28.048 1.00 0.00 WAT1 ATOM 4670 OH2 TIP3 1055 -8.944 4.900 27.220 1.00 0.00 WAT1 ATOM 4671 H1 TIP3 1055 -8.823 5.615 27.852 1.00 0.00 WAT1 ATOM 4672 H2 TIP3 1055 -8.050 4.517 27.117 1.00 0.00 WAT1 ATOM 4673 OH2 TIP3 1056 2.342 7.787 28.938 1.00 0.00 WAT1 ATOM 4674 H1 TIP3 1056 3.269 7.758 29.204 1.00 0.00 WAT1 ATOM 4675 H2 TIP3 1056 1.879 8.164 29.730 1.00 0.00 WAT1 ATOM 4676 OH2 TIP3 1057 0.127 3.006 30.114 1.00 0.00 WAT1 ATOM 4677 H1 TIP3 1057 -0.711 3.242 29.685 1.00 0.00 WAT1 ATOM 4678 H2 TIP3 1057 0.488 2.288 29.555 1.00 0.00 WAT1 ATOM 4679 OH2 TIP3 1058 9.244 -1.112 29.561 1.00 0.00 WAT1 ATOM 4680 H1 TIP3 1058 10.179 -0.915 29.344 1.00 0.00 WAT1 ATOM 4681 H2 TIP3 1058 9.210 -1.063 30.538 1.00 0.00 WAT1 ATOM 4682 OH2 TIP3 1059 -0.240 0.322 26.021 1.00 0.00 WAT1 ATOM 4683 H1 TIP3 1059 0.037 -0.287 25.328 1.00 0.00 WAT1 ATOM 4684 H2 TIP3 1059 -1.195 0.493 25.824 1.00 0.00 WAT1 ATOM 4685 OH2 TIP3 1060 11.156 -2.433 33.094 1.00 0.00 WAT1 ATOM 4686 H1 TIP3 1060 10.601 -1.679 32.785 1.00 0.00 WAT1 ATOM 4687 H2 TIP3 1060 10.517 -3.012 33.562 1.00 0.00 WAT1 ATOM 4688 OH2 TIP3 1061 -0.512 -1.221 33.801 1.00 0.00 WAT1 ATOM 4689 H1 TIP3 1061 -0.657 -1.390 32.842 1.00 0.00 WAT1 ATOM 4690 H2 TIP3 1061 -1.390 -1.273 34.185 1.00 0.00 WAT1 ATOM 4691 OH2 TIP3 1062 8.429 2.988 29.402 1.00 0.00 WAT1 ATOM 4692 H1 TIP3 1062 8.477 3.190 28.436 1.00 0.00 WAT1 ATOM 4693 H2 TIP3 1062 8.869 3.743 29.823 1.00 0.00 WAT1 ATOM 4694 OH2 TIP3 1063 6.556 -2.018 34.904 1.00 0.00 WAT1 ATOM 4695 H1 TIP3 1063 6.969 -1.322 35.433 1.00 0.00 WAT1 ATOM 4696 H2 TIP3 1063 6.528 -1.639 33.990 1.00 0.00 WAT1 ATOM 4697 OH2 TIP3 1064 3.050 -5.511 32.197 1.00 0.00 WAT1 ATOM 4698 H1 TIP3 1064 2.706 -4.992 32.959 1.00 0.00 WAT1 ATOM 4699 H2 TIP3 1064 2.914 -6.426 32.457 1.00 0.00 WAT1 ATOM 4700 OH2 TIP3 1065 5.425 8.039 27.911 1.00 0.00 WAT1 ATOM 4701 H1 TIP3 1065 5.940 8.485 28.589 1.00 0.00 WAT1 ATOM 4702 H2 TIP3 1065 6.106 7.675 27.294 1.00 0.00 WAT1 ATOM 4703 OH2 TIP3 1066 9.299 1.894 31.765 1.00 0.00 WAT1 ATOM 4704 H1 TIP3 1066 9.700 2.776 31.926 1.00 0.00 WAT1 ATOM 4705 H2 TIP3 1066 9.046 1.923 30.819 1.00 0.00 WAT1 ATOM 4706 OH2 TIP3 1067 6.397 -0.835 32.475 1.00 0.00 WAT1 ATOM 4707 H1 TIP3 1067 6.375 0.140 32.424 1.00 0.00 WAT1 ATOM 4708 H2 TIP3 1067 5.697 -1.123 31.843 1.00 0.00 WAT1 ATOM 4709 OH2 TIP3 1068 4.993 3.416 32.501 1.00 0.00 WAT1 ATOM 4710 H1 TIP3 1068 4.025 3.320 32.358 1.00 0.00 WAT1 ATOM 4711 H2 TIP3 1068 5.218 2.690 33.105 1.00 0.00 WAT1 ATOM 4712 OH2 TIP3 1069 1.107 1.143 28.330 1.00 0.00 WAT1 ATOM 4713 H1 TIP3 1069 0.662 0.683 27.586 1.00 0.00 WAT1 ATOM 4714 H2 TIP3 1069 1.373 0.425 28.936 1.00 0.00 WAT1 ATOM 4715 OH2 TIP3 1070 7.181 5.079 32.731 1.00 0.00 WAT1 ATOM 4716 H1 TIP3 1070 6.393 4.517 32.556 1.00 0.00 WAT1 ATOM 4717 H2 TIP3 1070 6.829 5.832 33.216 1.00 0.00 WAT1 ATOM 4718 OH2 TIP3 1071 9.526 2.759 20.538 1.00 0.00 WAT1 ATOM 4719 H1 TIP3 1071 9.686 3.703 20.773 1.00 0.00 WAT1 ATOM 4720 H2 TIP3 1071 9.406 2.769 19.566 1.00 0.00 WAT1 ATOM 4721 OH2 TIP3 1072 3.262 8.821 26.460 1.00 0.00 WAT1 ATOM 4722 H1 TIP3 1072 2.680 8.880 27.240 1.00 0.00 WAT1 ATOM 4723 H2 TIP3 1072 4.128 8.542 26.835 1.00 0.00 WAT1 ATOM 4724 OH2 TIP3 1073 -3.749 11.077 25.048 1.00 0.00 WAT1 ATOM 4725 H1 TIP3 1073 -3.722 11.382 24.113 1.00 0.00 WAT1 ATOM 4726 H2 TIP3 1073 -4.245 11.764 25.504 1.00 0.00 WAT1 ATOM 4727 OH2 TIP3 1074 3.280 8.120 22.625 1.00 0.00 WAT1 ATOM 4728 H1 TIP3 1074 3.784 8.853 23.026 1.00 0.00 WAT1 ATOM 4729 H2 TIP3 1074 3.974 7.520 22.268 1.00 0.00 WAT1 ATOM 4730 OH2 TIP3 1075 4.394 10.147 24.234 1.00 0.00 WAT1 ATOM 4731 H1 TIP3 1075 4.031 11.026 24.384 1.00 0.00 WAT1 ATOM 4732 H2 TIP3 1075 4.037 9.611 24.973 1.00 0.00 WAT1 ATOM 4733 OH2 TIP3 1076 1.366 -2.462 23.219 1.00 0.00 WAT1 ATOM 4734 H1 TIP3 1076 0.774 -2.935 23.814 1.00 0.00 WAT1 ATOM 4735 H2 TIP3 1076 1.901 -3.175 22.798 1.00 0.00 WAT1 ATOM 4736 OH2 TIP3 1077 2.525 0.152 35.996 1.00 0.00 WAT1 ATOM 4737 H1 TIP3 1077 2.112 0.021 36.854 1.00 0.00 WAT1 ATOM 4738 H2 TIP3 1077 2.929 -0.713 35.786 1.00 0.00 WAT1 ATOM 4739 OH2 TIP3 1078 -1.947 3.160 28.013 1.00 0.00 WAT1 ATOM 4740 H1 TIP3 1078 -2.847 3.414 28.313 1.00 0.00 WAT1 ATOM 4741 H2 TIP3 1078 -2.023 2.213 27.820 1.00 0.00 WAT1 ATOM 4742 OH2 TIP3 1079 -1.717 -3.831 21.127 1.00 0.00 WAT1 ATOM 4743 H1 TIP3 1079 -2.283 -3.479 21.822 1.00 0.00 WAT1 ATOM 4744 H2 TIP3 1079 -2.210 -3.649 20.301 1.00 0.00 WAT1 ATOM 4745 OH2 TIP3 1080 -7.645 3.519 21.634 1.00 0.00 WAT1 ATOM 4746 H1 TIP3 1080 -7.843 4.286 21.060 1.00 0.00 WAT1 ATOM 4747 H2 TIP3 1080 -8.517 3.268 22.014 1.00 0.00 WAT1 ATOM 4748 OH2 TIP3 1081 1.840 -0.437 30.760 1.00 0.00 WAT1 ATOM 4749 H1 TIP3 1081 2.690 -0.920 30.809 1.00 0.00 WAT1 ATOM 4750 H2 TIP3 1081 1.790 0.041 31.612 1.00 0.00 WAT1 ATOM 4751 OH2 TIP3 1082 4.318 -1.675 30.858 1.00 0.00 WAT1 ATOM 4752 H1 TIP3 1082 4.300 -2.631 30.622 1.00 0.00 WAT1 ATOM 4753 H2 TIP3 1082 4.460 -1.220 29.999 1.00 0.00 WAT1 ATOM 4754 OH2 TIP3 1083 -2.793 0.890 25.395 1.00 0.00 WAT1 ATOM 4755 H1 TIP3 1083 -3.340 0.813 26.208 1.00 0.00 WAT1 ATOM 4756 H2 TIP3 1083 -3.447 0.845 24.661 1.00 0.00 WAT1 ATOM 4757 OH2 TIP3 1084 0.512 2.859 25.181 1.00 0.00 WAT1 ATOM 4758 H1 TIP3 1084 0.195 2.840 24.261 1.00 0.00 WAT1 ATOM 4759 H2 TIP3 1084 0.316 1.962 25.521 1.00 0.00 WAT1 ATOM 4760 OH2 TIP3 1085 3.759 -2.019 34.817 1.00 0.00 WAT1 ATOM 4761 H1 TIP3 1085 3.628 -1.706 33.907 1.00 0.00 WAT1 ATOM 4762 H2 TIP3 1085 4.731 -2.075 34.911 1.00 0.00 WAT1 ATOM 4763 OH2 TIP3 1086 1.097 -2.413 20.260 1.00 0.00 WAT1 ATOM 4764 H1 TIP3 1086 0.428 -2.882 19.709 1.00 0.00 WAT1 ATOM 4765 H2 TIP3 1086 0.743 -2.470 21.164 1.00 0.00 WAT1 ATOM 4766 OH2 TIP3 1087 4.626 -0.224 28.548 1.00 0.00 WAT1 ATOM 4767 H1 TIP3 1087 5.561 0.088 28.556 1.00 0.00 WAT1 ATOM 4768 H2 TIP3 1087 4.112 0.559 28.850 1.00 0.00 WAT1 ATOM 4769 OH2 TIP3 1088 -0.702 -1.355 31.065 1.00 0.00 WAT1 ATOM 4770 H1 TIP3 1088 0.240 -1.142 30.879 1.00 0.00 WAT1 ATOM 4771 H2 TIP3 1088 -1.170 -1.059 30.280 1.00 0.00 WAT1 ATOM 4772 OH2 TIP3 1089 9.683 4.591 31.743 1.00 0.00 WAT1 ATOM 4773 H1 TIP3 1089 10.198 5.381 31.929 1.00 0.00 WAT1 ATOM 4774 H2 TIP3 1089 8.789 4.794 32.104 1.00 0.00 WAT1 ATOM 4775 OH2 TIP3 1090 -4.681 3.490 28.504 1.00 0.00 WAT1 ATOM 4776 H1 TIP3 1090 -5.081 3.955 29.277 1.00 0.00 WAT1 ATOM 4777 H2 TIP3 1090 -5.385 3.531 27.814 1.00 0.00 WAT1 ATOM 4778 OH2 TIP3 1091 7.648 7.281 22.061 1.00 0.00 WAT1 ATOM 4779 H1 TIP3 1091 7.405 8.231 22.134 1.00 0.00 WAT1 ATOM 4780 H2 TIP3 1091 6.791 6.834 21.891 1.00 0.00 WAT1 ATOM 4781 OH2 TIP3 1092 7.188 1.789 33.536 1.00 0.00 WAT1 ATOM 4782 H1 TIP3 1092 7.895 1.806 32.856 1.00 0.00 WAT1 ATOM 4783 H2 TIP3 1092 7.461 2.456 34.174 1.00 0.00 WAT1 ATOM 4784 OH2 TIP3 1093 -6.660 3.378 26.641 1.00 0.00 WAT1 ATOM 4785 H1 TIP3 1093 -6.467 3.563 25.696 1.00 0.00 WAT1 ATOM 4786 H2 TIP3 1093 -7.271 2.611 26.616 1.00 0.00 WAT1 ATOM 4787 OH2 TIP3 1094 0.675 10.691 32.821 1.00 0.00 WAT1 ATOM 4788 H1 TIP3 1094 1.166 11.377 33.282 1.00 0.00 WAT1 ATOM 4789 H2 TIP3 1094 -0.237 10.996 32.839 1.00 0.00 WAT1 ATOM 4790 OH2 TIP3 1095 0.906 7.626 25.571 1.00 0.00 WAT1 ATOM 4791 H1 TIP3 1095 1.740 8.122 25.682 1.00 0.00 WAT1 ATOM 4792 H2 TIP3 1095 0.765 7.610 24.601 1.00 0.00 WAT1 ATOM 4793 OH2 TIP3 1096 2.306 2.726 31.895 1.00 0.00 WAT1 ATOM 4794 H1 TIP3 1096 1.473 3.025 31.467 1.00 0.00 WAT1 ATOM 4795 H2 TIP3 1096 2.016 2.019 32.513 1.00 0.00 WAT1 ATOM 4796 OH2 TIP3 1097 10.130 5.490 24.269 1.00 0.00 WAT1 ATOM 4797 H1 TIP3 1097 10.079 6.458 24.430 1.00 0.00 WAT1 ATOM 4798 H2 TIP3 1097 10.772 5.169 24.923 1.00 0.00 WAT1 ATOM 4799 OH2 TIP3 1098 2.100 -4.207 34.403 1.00 0.00 WAT1 ATOM 4800 H1 TIP3 1098 1.208 -3.974 34.682 1.00 0.00 WAT1 ATOM 4801 H2 TIP3 1098 2.648 -3.453 34.696 1.00 0.00 WAT1 ATOM 4802 OH2 TIP3 1099 2.222 0.161 23.489 1.00 0.00 WAT1 ATOM 4803 H1 TIP3 1099 1.811 -0.710 23.306 1.00 0.00 WAT1 ATOM 4804 H2 TIP3 1099 3.091 -0.061 23.864 1.00 0.00 WAT1 ATOM 4805 OH2 TIP3 1100 2.525 -7.625 23.958 1.00 0.00 WAT1 ATOM 4806 H1 TIP3 1100 3.003 -7.136 23.267 1.00 0.00 WAT1 ATOM 4807 H2 TIP3 1100 2.654 -8.557 23.719 1.00 0.00 WAT1 ATOM 4808 OH2 TIP3 1101 7.754 -8.439 33.207 1.00 0.00 WAT1 ATOM 4809 H1 TIP3 1101 8.248 -7.604 33.111 1.00 0.00 WAT1 ATOM 4810 H2 TIP3 1101 8.318 -8.984 33.787 1.00 0.00 WAT1 ATOM 4811 OH2 TIP3 1102 -4.773 0.906 23.475 1.00 0.00 WAT1 ATOM 4812 H1 TIP3 1102 -5.686 0.737 23.788 1.00 0.00 WAT1 ATOM 4813 H2 TIP3 1102 -4.885 1.128 22.530 1.00 0.00 WAT1 ATOM 4814 OH2 TIP3 1103 -2.174 8.935 24.535 1.00 0.00 WAT1 ATOM 4815 H1 TIP3 1103 -1.487 8.800 25.204 1.00 0.00 WAT1 ATOM 4816 H2 TIP3 1103 -2.725 9.673 24.898 1.00 0.00 WAT1 ATOM 4817 OH2 TIP3 1104 5.121 6.364 21.667 1.00 0.00 WAT1 ATOM 4818 H1 TIP3 1104 4.998 5.584 22.247 1.00 0.00 WAT1 ATOM 4819 H2 TIP3 1104 5.166 5.988 20.758 1.00 0.00 WAT1 ATOM 4820 OH2 TIP3 1105 1.634 0.509 33.420 1.00 0.00 WAT1 ATOM 4821 H1 TIP3 1105 0.822 -0.033 33.550 1.00 0.00 WAT1 ATOM 4822 H2 TIP3 1105 2.027 0.563 34.320 1.00 0.00 WAT1 ATOM 4823 OH2 TIP3 1106 0.084 14.851 19.847 1.00 0.00 WAT1 ATOM 4824 H1 TIP3 1106 0.142 13.956 19.440 1.00 0.00 WAT1 ATOM 4825 H2 TIP3 1106 0.941 14.976 20.262 1.00 0.00 WAT1 ATOM 4826 OH2 TIP3 1107 -6.239 8.483 20.652 1.00 0.00 WAT1 ATOM 4827 H1 TIP3 1107 -5.602 8.436 19.907 1.00 0.00 WAT1 ATOM 4828 H2 TIP3 1107 -5.667 8.568 21.445 1.00 0.00 WAT1 ATOM 4829 OH2 TIP3 1108 8.695 3.666 26.790 1.00 0.00 WAT1 ATOM 4830 H1 TIP3 1108 9.591 3.685 26.413 1.00 0.00 WAT1 ATOM 4831 H2 TIP3 1108 8.137 4.077 26.099 1.00 0.00 WAT1 ATOM 4832 OH2 TIP3 1109 9.211 -0.744 32.281 1.00 0.00 WAT1 ATOM 4833 H1 TIP3 1109 8.254 -0.867 32.444 1.00 0.00 WAT1 ATOM 4834 H2 TIP3 1109 9.316 0.231 32.185 1.00 0.00 WAT1 ATOM 4835 OH2 TIP3 1110 9.014 -5.074 36.608 1.00 0.00 WAT1 ATOM 4836 H1 TIP3 1110 8.055 -4.884 36.741 1.00 0.00 WAT1 ATOM 4837 H2 TIP3 1110 9.045 -6.039 36.438 1.00 0.00 WAT1 ATOM 4838 OH2 TIP3 1111 7.392 7.218 26.230 1.00 0.00 WAT1 ATOM 4839 H1 TIP3 1111 8.040 7.703 25.683 1.00 0.00 WAT1 ATOM 4840 H2 TIP3 1111 7.295 6.356 25.774 1.00 0.00 WAT1 ATOM 4841 OH2 TIP3 1112 9.983 -7.452 35.587 1.00 0.00 WAT1 ATOM 4842 H1 TIP3 1112 9.882 -8.407 35.367 1.00 0.00 WAT1 ATOM 4843 H2 TIP3 1112 10.890 -7.379 35.921 1.00 0.00 WAT1 ATOM 4844 OH2 TIP3 1113 -7.845 4.197 32.377 1.00 0.00 WAT1 ATOM 4845 H1 TIP3 1113 -8.743 4.531 32.470 1.00 0.00 WAT1 ATOM 4846 H2 TIP3 1113 -7.728 3.616 33.136 1.00 0.00 WAT1 ATOM 4847 OH2 TIP3 1114 1.546 8.666 31.282 1.00 0.00 WAT1 ATOM 4848 H1 TIP3 1114 1.526 8.161 32.100 1.00 0.00 WAT1 ATOM 4849 H2 TIP3 1114 1.255 9.561 31.551 1.00 0.00 WAT1 ATOM 4850 OH2 TIP3 1115 8.058 -5.780 29.488 1.00 0.00 WAT1 ATOM 4851 H1 TIP3 1115 7.414 -5.679 30.197 1.00 0.00 WAT1 ATOM 4852 H2 TIP3 1115 7.795 -6.613 29.044 1.00 0.00 WAT1 ATOM 4853 OH2 TIP3 1116 4.136 -4.289 30.044 1.00 0.00 WAT1 ATOM 4854 H1 TIP3 1116 4.114 -5.022 29.426 1.00 0.00 WAT1 ATOM 4855 H2 TIP3 1116 3.728 -4.657 30.868 1.00 0.00 WAT1 ATOM 4856 OH2 TIP3 1117 2.557 -5.613 25.760 1.00 0.00 WAT1 ATOM 4857 H1 TIP3 1117 2.533 -6.371 25.126 1.00 0.00 WAT1 ATOM 4858 H2 TIP3 1117 1.712 -5.662 26.216 1.00 0.00 WAT1 ATOM 4859 OH2 TIP3 1118 5.631 -7.168 24.709 1.00 0.00 WAT1 ATOM 4860 H1 TIP3 1118 6.461 -7.612 24.498 1.00 0.00 WAT1 ATOM 4861 H2 TIP3 1118 5.261 -7.693 25.449 1.00 0.00 WAT1 ATOM 4862 OH2 TIP3 1119 -3.392 11.579 22.379 1.00 0.00 WAT1 ATOM 4863 H1 TIP3 1119 -3.606 12.382 21.848 1.00 0.00 WAT1 ATOM 4864 H2 TIP3 1119 -2.509 11.318 22.066 1.00 0.00 WAT1 ATOM 4865 OH2 TIP3 1120 3.752 -9.859 22.622 1.00 0.00 WAT1 ATOM 4866 H1 TIP3 1120 3.261 -10.522 22.122 1.00 0.00 WAT1 ATOM 4867 H2 TIP3 1120 4.253 -9.366 21.940 1.00 0.00 WAT1 ATOM 4868 OH2 TIP3 1121 0.616 7.775 22.866 1.00 0.00 WAT1 ATOM 4869 H1 TIP3 1121 0.164 8.512 22.410 1.00 0.00 WAT1 ATOM 4870 H2 TIP3 1121 1.576 7.939 22.698 1.00 0.00 WAT1 ATOM 4871 OH2 TIP3 1122 9.178 8.086 24.257 1.00 0.00 WAT1 ATOM 4872 H1 TIP3 1122 8.668 7.747 23.489 1.00 0.00 WAT1 ATOM 4873 H2 TIP3 1122 9.274 9.041 24.075 1.00 0.00 WAT1 ATOM 4874 OH2 TIP3 1123 -6.750 26.298 -15.363 1.00 0.00 WAT1 ATOM 4875 H1 TIP3 1123 -5.823 26.212 -15.048 1.00 0.00 WAT1 ATOM 4876 H2 TIP3 1123 -6.894 27.274 -15.423 1.00 0.00 WAT1 ATOM 4877 OH2 TIP3 1124 -4.286 25.735 -14.385 1.00 0.00 WAT1 ATOM 4878 H1 TIP3 1124 -4.055 26.176 -13.533 1.00 0.00 WAT1 ATOM 4879 H2 TIP3 1124 -4.439 24.797 -14.131 1.00 0.00 WAT1 ATOM 4880 OH2 TIP3 1125 -5.921 29.708 -17.401 1.00 0.00 WAT1 ATOM 4881 H1 TIP3 1125 -6.532 29.364 -16.700 1.00 0.00 WAT1 ATOM 4882 H2 TIP3 1125 -5.200 30.125 -16.901 1.00 0.00 WAT1 ATOM 4883 OH2 TIP3 1126 -3.601 28.750 -18.555 1.00 0.00 WAT1 ATOM 4884 H1 TIP3 1126 -3.347 28.057 -17.899 1.00 0.00 WAT1 ATOM 4885 H2 TIP3 1126 -4.567 28.845 -18.435 1.00 0.00 WAT1 ATOM 4886 OH2 TIP3 1127 -12.544 21.747 -11.433 1.00 0.00 WAT1 ATOM 4887 H1 TIP3 1127 -12.772 22.449 -10.817 1.00 0.00 WAT1 ATOM 4888 H2 TIP3 1127 -12.642 22.161 -12.316 1.00 0.00 WAT1 ATOM 4889 OH2 TIP3 1128 -6.787 19.000 -14.540 1.00 0.00 WAT1 ATOM 4890 H1 TIP3 1128 -7.656 18.535 -14.559 1.00 0.00 WAT1 ATOM 4891 H2 TIP3 1128 -6.628 19.159 -13.591 1.00 0.00 WAT1 ATOM 4892 OH2 TIP3 1129 -4.110 29.580 -12.335 1.00 0.00 WAT1 ATOM 4893 H1 TIP3 1129 -3.841 30.290 -11.708 1.00 0.00 WAT1 ATOM 4894 H2 TIP3 1129 -5.063 29.706 -12.435 1.00 0.00 WAT1 ATOM 4895 OH2 TIP3 1130 -12.043 28.614 -21.777 1.00 0.00 WAT1 ATOM 4896 H1 TIP3 1130 -11.937 28.708 -22.728 1.00 0.00 WAT1 ATOM 4897 H2 TIP3 1130 -11.145 28.801 -21.415 1.00 0.00 WAT1 ATOM 4898 OH2 TIP3 1131 0.023 21.846 -7.263 1.00 0.00 WAT1 ATOM 4899 H1 TIP3 1131 -0.087 22.773 -7.537 1.00 0.00 WAT1 ATOM 4900 H2 TIP3 1131 -0.264 21.330 -8.054 1.00 0.00 WAT1 ATOM 4901 OH2 TIP3 1132 1.208 21.404 -4.791 1.00 0.00 WAT1 ATOM 4902 H1 TIP3 1132 1.467 20.476 -4.866 1.00 0.00 WAT1 ATOM 4903 H2 TIP3 1132 0.840 21.624 -5.679 1.00 0.00 WAT1 ATOM 4904 OH2 TIP3 1133 2.083 28.497 -7.692 1.00 0.00 WAT1 ATOM 4905 H1 TIP3 1133 2.438 28.002 -8.438 1.00 0.00 WAT1 ATOM 4906 H2 TIP3 1133 2.874 28.697 -7.135 1.00 0.00 WAT1 ATOM 4907 OH2 TIP3 1134 0.216 26.004 -4.446 1.00 0.00 WAT1 ATOM 4908 H1 TIP3 1134 0.836 25.295 -4.169 1.00 0.00 WAT1 ATOM 4909 H2 TIP3 1134 -0.291 26.215 -3.626 1.00 0.00 WAT1 ATOM 4910 OH2 TIP3 1135 -3.425 18.522 -7.182 1.00 0.00 WAT1 ATOM 4911 H1 TIP3 1135 -2.634 18.928 -6.766 1.00 0.00 WAT1 ATOM 4912 H2 TIP3 1135 -3.297 18.683 -8.139 1.00 0.00 WAT1 ATOM 4913 OH2 TIP3 1136 -1.287 19.715 -5.952 1.00 0.00 WAT1 ATOM 4914 H1 TIP3 1136 -0.810 20.469 -6.350 1.00 0.00 WAT1 ATOM 4915 H2 TIP3 1136 -0.587 19.191 -5.505 1.00 0.00 WAT1 ATOM 4916 OH2 TIP3 1137 -3.200 15.011 -3.600 1.00 0.00 WAT1 ATOM 4917 H1 TIP3 1137 -3.360 15.608 -4.340 1.00 0.00 WAT1 ATOM 4918 H2 TIP3 1137 -3.761 14.223 -3.804 1.00 0.00 WAT1 ATOM 4919 OH2 TIP3 1138 -0.218 26.944 -6.938 1.00 0.00 WAT1 ATOM 4920 H1 TIP3 1138 0.526 27.482 -7.276 1.00 0.00 WAT1 ATOM 4921 H2 TIP3 1138 0.054 26.712 -6.020 1.00 0.00 WAT1 ATOM 4922 OH2 TIP3 1139 -7.795 15.635 -7.144 1.00 0.00 WAT1 ATOM 4923 H1 TIP3 1139 -7.019 16.058 -7.559 1.00 0.00 WAT1 ATOM 4924 H2 TIP3 1139 -8.097 16.282 -6.495 1.00 0.00 WAT1 ATOM 4925 OH2 TIP3 1140 -1.214 31.466 -7.359 1.00 0.00 WAT1 ATOM 4926 H1 TIP3 1140 -1.667 30.858 -7.986 1.00 0.00 WAT1 ATOM 4927 H2 TIP3 1140 -0.274 31.436 -7.633 1.00 0.00 WAT1 ATOM 4928 OH2 TIP3 1141 4.145 29.381 -6.179 1.00 0.00 WAT1 ATOM 4929 H1 TIP3 1141 3.611 29.789 -5.454 1.00 0.00 WAT1 ATOM 4930 H2 TIP3 1141 5.054 29.459 -5.875 1.00 0.00 WAT1 ATOM 4931 OH2 TIP3 1142 -2.761 22.429 1.020 1.00 0.00 WAT1 ATOM 4932 H1 TIP3 1142 -2.906 21.483 1.117 1.00 0.00 WAT1 ATOM 4933 H2 TIP3 1142 -3.439 22.838 1.601 1.00 0.00 WAT1 ATOM 4934 OH2 TIP3 1143 -0.826 24.114 -9.483 1.00 0.00 WAT1 ATOM 4935 H1 TIP3 1143 -0.938 25.014 -9.853 1.00 0.00 WAT1 ATOM 4936 H2 TIP3 1143 -1.290 23.536 -10.114 1.00 0.00 WAT1 ATOM 4937 OH2 TIP3 1144 -4.655 23.960 2.305 1.00 0.00 WAT1 ATOM 4938 H1 TIP3 1144 -4.426 24.713 1.717 1.00 0.00 WAT1 ATOM 4939 H2 TIP3 1144 -5.602 23.779 2.106 1.00 0.00 WAT1 ATOM 4940 OH2 TIP3 1145 -1.681 26.165 -2.531 1.00 0.00 WAT1 ATOM 4941 H1 TIP3 1145 -2.566 26.594 -2.551 1.00 0.00 WAT1 ATOM 4942 H2 TIP3 1145 -1.687 25.648 -1.701 1.00 0.00 WAT1 ATOM 4943 OH2 TIP3 1146 -2.654 28.170 -6.583 1.00 0.00 WAT1 ATOM 4944 H1 TIP3 1146 -1.820 27.699 -6.783 1.00 0.00 WAT1 ATOM 4945 H2 TIP3 1146 -2.820 28.714 -7.386 1.00 0.00 WAT1 ATOM 4946 OH2 TIP3 1147 -5.151 10.296 -2.504 1.00 0.00 WAT1 ATOM 4947 H1 TIP3 1147 -4.431 10.871 -2.195 1.00 0.00 WAT1 ATOM 4948 H2 TIP3 1147 -5.084 10.327 -3.476 1.00 0.00 WAT1 ATOM 4949 OH2 TIP3 1148 -3.477 19.315 -4.312 1.00 0.00 WAT1 ATOM 4950 H1 TIP3 1148 -4.000 18.984 -5.054 1.00 0.00 WAT1 ATOM 4951 H2 TIP3 1148 -2.618 19.547 -4.717 1.00 0.00 WAT1 ATOM 4952 OH2 TIP3 1149 -1.262 20.605 -9.353 1.00 0.00 WAT1 ATOM 4953 H1 TIP3 1149 -1.764 19.799 -9.593 1.00 0.00 WAT1 ATOM 4954 H2 TIP3 1149 -1.481 21.241 -10.067 1.00 0.00 WAT1 ATOM 4955 OH2 TIP3 1150 -10.801 17.292 -9.506 1.00 0.00 WAT1 ATOM 4956 H1 TIP3 1150 -11.297 17.947 -10.051 1.00 0.00 WAT1 ATOM 4957 H2 TIP3 1150 -11.152 17.419 -8.598 1.00 0.00 WAT1 ATOM 4958 OH2 TIP3 1151 -3.367 18.913 -9.916 1.00 0.00 WAT1 ATOM 4959 H1 TIP3 1151 -3.843 18.124 -10.254 1.00 0.00 WAT1 ATOM 4960 H2 TIP3 1151 -3.976 19.654 -10.100 1.00 0.00 WAT1 ATOM 4961 OH2 TIP3 1152 -4.577 20.683 -13.358 1.00 0.00 WAT1 ATOM 4962 H1 TIP3 1152 -4.815 20.254 -14.192 1.00 0.00 WAT1 ATOM 4963 H2 TIP3 1152 -5.100 20.204 -12.688 1.00 0.00 WAT1 ATOM 4964 OH2 TIP3 1153 -5.283 17.032 -10.538 1.00 0.00 WAT1 ATOM 4965 H1 TIP3 1153 -5.518 16.997 -9.584 1.00 0.00 WAT1 ATOM 4966 H2 TIP3 1153 -5.737 16.251 -10.926 1.00 0.00 WAT1 ATOM 4967 OH2 TIP3 1154 0.406 18.049 -4.550 1.00 0.00 WAT1 ATOM 4968 H1 TIP3 1154 1.006 17.337 -4.792 1.00 0.00 WAT1 ATOM 4969 H2 TIP3 1154 -0.186 17.645 -3.876 1.00 0.00 WAT1 ATOM 4970 OH2 TIP3 1155 -5.802 17.408 -7.861 1.00 0.00 WAT1 ATOM 4971 H1 TIP3 1155 -4.905 17.701 -7.583 1.00 0.00 WAT1 ATOM 4972 H2 TIP3 1155 -6.405 17.881 -7.252 1.00 0.00 WAT1 ATOM 4973 OH2 TIP3 1156 -1.171 16.692 -2.677 1.00 0.00 WAT1 ATOM 4974 H1 TIP3 1156 -1.697 15.927 -2.984 1.00 0.00 WAT1 ATOM 4975 H2 TIP3 1156 -1.752 17.127 -2.015 1.00 0.00 WAT1 ATOM 4976 OH2 TIP3 1157 -2.509 22.457 -11.002 1.00 0.00 WAT1 ATOM 4977 H1 TIP3 1157 -3.164 23.018 -10.521 1.00 0.00 WAT1 ATOM 4978 H2 TIP3 1157 -2.926 22.290 -11.859 1.00 0.00 WAT1 ATOM 4979 OH2 TIP3 1158 -2.590 22.916 -2.551 1.00 0.00 WAT1 ATOM 4980 H1 TIP3 1158 -2.465 23.538 -1.812 1.00 0.00 WAT1 ATOM 4981 H2 TIP3 1158 -1.746 22.413 -2.585 1.00 0.00 WAT1 ATOM 4982 OH2 TIP3 1159 -0.183 18.951 -1.273 1.00 0.00 WAT1 ATOM 4983 H1 TIP3 1159 0.022 18.145 -1.769 1.00 0.00 WAT1 ATOM 4984 H2 TIP3 1159 -1.028 18.748 -0.831 1.00 0.00 WAT1 ATOM 4985 OH2 TIP3 1160 -3.514 21.604 -8.066 1.00 0.00 WAT1 ATOM 4986 H1 TIP3 1160 -2.634 21.244 -8.275 1.00 0.00 WAT1 ATOM 4987 H2 TIP3 1160 -3.526 22.484 -8.510 1.00 0.00 WAT1 ATOM 4988 OH2 TIP3 1161 -2.783 29.786 -8.788 1.00 0.00 WAT1 ATOM 4989 H1 TIP3 1161 -3.621 30.301 -8.685 1.00 0.00 WAT1 ATOM 4990 H2 TIP3 1161 -2.506 29.958 -9.708 1.00 0.00 WAT1 ATOM 4991 OH2 TIP3 1162 1.864 23.895 -3.758 1.00 0.00 WAT1 ATOM 4992 H1 TIP3 1162 2.819 23.923 -3.876 1.00 0.00 WAT1 ATOM 4993 H2 TIP3 1162 1.603 23.014 -4.110 1.00 0.00 WAT1 ATOM 4994 OH2 TIP3 1163 -3.223 27.332 -16.299 1.00 0.00 WAT1 ATOM 4995 H1 TIP3 1163 -2.877 27.937 -15.615 1.00 0.00 WAT1 ATOM 4996 H2 TIP3 1163 -3.618 26.595 -15.785 1.00 0.00 WAT1 ATOM 4997 OH2 TIP3 1164 -3.625 26.894 -12.056 1.00 0.00 WAT1 ATOM 4998 H1 TIP3 1164 -3.004 26.711 -11.330 1.00 0.00 WAT1 ATOM 4999 H2 TIP3 1164 -3.769 27.862 -12.012 1.00 0.00 WAT1 ATOM 5000 OH2 TIP3 1165 -1.235 26.704 -10.491 1.00 0.00 WAT1 ATOM 5001 H1 TIP3 1165 -1.129 27.544 -10.020 1.00 0.00 WAT1 ATOM 5002 H2 TIP3 1165 -0.948 26.908 -11.408 1.00 0.00 WAT1 ATOM 5003 OH2 TIP3 1166 -1.123 29.645 -11.236 1.00 0.00 WAT1 ATOM 5004 H1 TIP3 1166 -0.990 28.963 -11.922 1.00 0.00 WAT1 ATOM 5005 H2 TIP3 1166 -1.119 30.491 -11.736 1.00 0.00 WAT1 ATOM 5006 OH2 TIP3 1167 -7.974 23.704 -11.969 1.00 0.00 WAT1 ATOM 5007 H1 TIP3 1167 -8.387 22.944 -11.551 1.00 0.00 WAT1 ATOM 5008 H2 TIP3 1167 -7.082 23.748 -11.557 1.00 0.00 WAT1 ATOM 5009 OH2 TIP3 1168 -6.326 19.212 -11.776 1.00 0.00 WAT1 ATOM 5010 H1 TIP3 1168 -5.961 18.367 -11.424 1.00 0.00 WAT1 ATOM 5011 H2 TIP3 1168 -6.173 19.858 -11.049 1.00 0.00 WAT1 ATOM 5012 OH2 TIP3 1169 -5.151 10.421 -5.340 1.00 0.00 WAT1 ATOM 5013 H1 TIP3 1169 -4.827 9.604 -5.733 1.00 0.00 WAT1 ATOM 5014 H2 TIP3 1169 -5.989 10.605 -5.823 1.00 0.00 WAT1 ATOM 5015 OH2 TIP3 1170 -6.314 27.489 0.618 1.00 0.00 WAT1 ATOM 5016 H1 TIP3 1170 -5.565 27.603 1.238 1.00 0.00 WAT1 ATOM 5017 H2 TIP3 1170 -5.889 27.404 -0.250 1.00 0.00 WAT1 ATOM 5018 OH2 TIP3 1171 -4.966 23.344 -13.357 1.00 0.00 WAT1 ATOM 5019 H1 TIP3 1171 -4.775 22.381 -13.410 1.00 0.00 WAT1 ATOM 5020 H2 TIP3 1171 -5.187 23.492 -12.407 1.00 0.00 WAT1 ATOM 5021 OH2 TIP3 1172 -0.299 21.419 -2.441 1.00 0.00 WAT1 ATOM 5022 H1 TIP3 1172 0.217 21.309 -3.263 1.00 0.00 WAT1 ATOM 5023 H2 TIP3 1172 -0.224 20.545 -1.989 1.00 0.00 WAT1 ATOM 5024 OH2 TIP3 1173 -5.366 20.907 -9.881 1.00 0.00 WAT1 ATOM 5025 H1 TIP3 1173 -4.849 21.047 -9.055 1.00 0.00 WAT1 ATOM 5026 H2 TIP3 1173 -5.488 21.821 -10.241 1.00 0.00 WAT1 ATOM 5027 OH2 TIP3 1174 -5.338 19.386 0.248 1.00 0.00 WAT1 ATOM 5028 H1 TIP3 1174 -4.645 19.924 -0.170 1.00 0.00 WAT1 ATOM 5029 H2 TIP3 1174 -6.018 19.304 -0.449 1.00 0.00 WAT1 ATOM 5030 OH2 TIP3 1175 -7.520 19.645 -17.097 1.00 0.00 WAT1 ATOM 5031 H1 TIP3 1175 -6.910 19.180 -17.677 1.00 0.00 WAT1 ATOM 5032 H2 TIP3 1175 -7.163 19.487 -16.194 1.00 0.00 WAT1 ATOM 5033 OH2 TIP3 1176 -2.730 17.955 -0.785 1.00 0.00 WAT1 ATOM 5034 H1 TIP3 1176 -3.064 18.817 -1.121 1.00 0.00 WAT1 ATOM 5035 H2 TIP3 1176 -3.522 17.509 -0.453 1.00 0.00 WAT1 ATOM 5036 OH2 TIP3 1177 -3.958 14.502 -0.951 1.00 0.00 WAT1 ATOM 5037 H1 TIP3 1177 -3.508 13.637 -0.892 1.00 0.00 WAT1 ATOM 5038 H2 TIP3 1177 -3.738 14.824 -1.845 1.00 0.00 WAT1 ATOM 5039 OH2 TIP3 1178 -3.578 20.376 -1.777 1.00 0.00 WAT1 ATOM 5040 H1 TIP3 1178 -3.653 19.985 -2.679 1.00 0.00 WAT1 ATOM 5041 H2 TIP3 1178 -3.325 21.307 -1.943 1.00 0.00 WAT1 ATOM 5042 OH2 TIP3 1179 -6.032 13.234 3.079 1.00 0.00 WAT1 ATOM 5043 H1 TIP3 1179 -6.814 12.661 3.245 1.00 0.00 WAT1 ATOM 5044 H2 TIP3 1179 -5.868 13.141 2.112 1.00 0.00 WAT1 ATOM 5045 OH2 TIP3 1180 -7.308 11.613 -1.479 1.00 0.00 WAT1 ATOM 5046 H1 TIP3 1180 -7.617 11.931 -2.352 1.00 0.00 WAT1 ATOM 5047 H2 TIP3 1180 -6.644 10.920 -1.703 1.00 0.00 WAT1 ATOM 5048 OH2 TIP3 1181 -0.674 27.617 -13.008 1.00 0.00 WAT1 ATOM 5049 H1 TIP3 1181 -1.280 28.118 -13.602 1.00 0.00 WAT1 ATOM 5050 H2 TIP3 1181 -0.255 26.972 -13.587 1.00 0.00 WAT1 ATOM 5051 OH2 TIP3 1182 -9.682 14.626 -10.024 1.00 0.00 WAT1 ATOM 5052 H1 TIP3 1182 -8.949 15.019 -10.521 1.00 0.00 WAT1 ATOM 5053 H2 TIP3 1182 -10.107 15.388 -9.582 1.00 0.00 WAT1 ATOM 5054 OH2 TIP3 1183 -7.812 12.349 -4.147 1.00 0.00 WAT1 ATOM 5055 H1 TIP3 1183 -8.770 12.552 -4.130 1.00 0.00 WAT1 ATOM 5056 H2 TIP3 1183 -7.690 11.853 -4.981 1.00 0.00 WAT1 ATOM 5057 OH2 TIP3 1184 0.650 23.690 -1.253 1.00 0.00 WAT1 ATOM 5058 H1 TIP3 1184 1.153 23.963 -2.041 1.00 0.00 WAT1 ATOM 5059 H2 TIP3 1184 0.385 22.768 -1.449 1.00 0.00 WAT1 ATOM 5060 OH2 TIP3 1185 -4.970 27.692 -5.167 1.00 0.00 WAT1 ATOM 5061 H1 TIP3 1185 -4.152 27.735 -5.706 1.00 0.00 WAT1 ATOM 5062 H2 TIP3 1185 -5.330 28.596 -5.213 1.00 0.00 WAT1 ATOM 5063 OH2 TIP3 1186 2.690 30.530 -4.199 1.00 0.00 WAT1 ATOM 5064 H1 TIP3 1186 1.969 31.142 -4.457 1.00 0.00 WAT1 ATOM 5065 H2 TIP3 1186 2.509 30.331 -3.274 1.00 0.00 WAT1 ATOM 5066 OH2 TIP3 1187 -7.561 10.957 -6.589 1.00 0.00 WAT1 ATOM 5067 H1 TIP3 1187 -7.678 11.781 -7.131 1.00 0.00 WAT1 ATOM 5068 H2 TIP3 1187 -8.202 10.342 -6.962 1.00 0.00 WAT1 ATOM 5069 OH2 TIP3 1188 -3.573 11.771 -0.559 1.00 0.00 WAT1 ATOM 5070 H1 TIP3 1188 -3.261 11.007 -0.064 1.00 0.00 WAT1 ATOM 5071 H2 TIP3 1188 -4.396 12.036 -0.100 1.00 0.00 WAT1 ATOM 5072 OH2 TIP3 1189 -5.860 13.012 0.379 1.00 0.00 WAT1 ATOM 5073 H1 TIP3 1189 -5.399 13.752 -0.079 1.00 0.00 WAT1 ATOM 5074 H2 TIP3 1189 -6.450 12.633 -0.309 1.00 0.00 WAT1 ATOM 5075 OH2 TIP3 1190 -5.883 19.819 10.811 1.00 0.00 WAT1 ATOM 5076 H1 TIP3 1190 -5.623 20.677 11.168 1.00 0.00 WAT1 ATOM 5077 H2 TIP3 1190 -6.375 20.041 9.988 1.00 0.00 WAT1 ATOM 5078 OH2 TIP3 1191 -9.688 18.002 9.155 1.00 0.00 WAT1 ATOM 5079 H1 TIP3 1191 -9.054 17.882 8.417 1.00 0.00 WAT1 ATOM 5080 H2 TIP3 1191 -9.807 18.977 9.214 1.00 0.00 WAT1 ATOM 5081 OH2 TIP3 1192 -8.161 21.310 6.023 1.00 0.00 WAT1 ATOM 5082 H1 TIP3 1192 -7.892 22.045 5.417 1.00 0.00 WAT1 ATOM 5083 H2 TIP3 1192 -8.284 20.544 5.428 1.00 0.00 WAT1 ATOM 5084 OH2 TIP3 1193 -4.615 17.304 10.615 1.00 0.00 WAT1 ATOM 5085 H1 TIP3 1193 -4.772 17.046 9.686 1.00 0.00 WAT1 ATOM 5086 H2 TIP3 1193 -4.948 18.223 10.668 1.00 0.00 WAT1 ATOM 5087 OH2 TIP3 1194 -6.914 15.784 10.917 1.00 0.00 WAT1 ATOM 5088 H1 TIP3 1194 -6.084 16.261 11.105 1.00 0.00 WAT1 ATOM 5089 H2 TIP3 1194 -6.646 15.068 10.311 1.00 0.00 WAT1 ATOM 5090 OH2 TIP3 1195 -5.347 15.118 16.994 1.00 0.00 WAT1 ATOM 5091 H1 TIP3 1195 -6.150 14.578 16.809 1.00 0.00 WAT1 ATOM 5092 H2 TIP3 1195 -5.375 15.822 16.316 1.00 0.00 WAT1 ATOM 5093 OH2 TIP3 1196 -3.525 15.894 12.751 1.00 0.00 WAT1 ATOM 5094 H1 TIP3 1196 -4.171 16.185 13.433 1.00 0.00 WAT1 ATOM 5095 H2 TIP3 1196 -3.775 16.408 11.951 1.00 0.00 WAT1 ATOM 5096 OH2 TIP3 1197 -2.848 11.119 11.835 1.00 0.00 WAT1 ATOM 5097 H1 TIP3 1197 -3.214 11.888 12.322 1.00 0.00 WAT1 ATOM 5098 H2 TIP3 1197 -3.637 10.637 11.524 1.00 0.00 WAT1 ATOM 5099 OH2 TIP3 1198 -7.310 20.505 8.538 1.00 0.00 WAT1 ATOM 5100 H1 TIP3 1198 -8.179 20.579 8.991 1.00 0.00 WAT1 ATOM 5101 H2 TIP3 1198 -7.472 20.891 7.647 1.00 0.00 WAT1 ATOM 5102 OH2 TIP3 1199 -7.447 23.439 4.410 1.00 0.00 WAT1 ATOM 5103 H1 TIP3 1199 -7.267 24.360 4.669 1.00 0.00 WAT1 ATOM 5104 H2 TIP3 1199 -7.334 23.438 3.437 1.00 0.00 WAT1 ATOM 5105 OH2 TIP3 1200 -11.591 22.311 14.603 1.00 0.00 WAT1 ATOM 5106 H1 TIP3 1200 -11.560 22.200 15.580 1.00 0.00 WAT1 ATOM 5107 H2 TIP3 1200 -11.194 23.184 14.453 1.00 0.00 WAT1 ATOM 5108 OH2 TIP3 1201 -10.156 25.051 12.802 1.00 0.00 WAT1 ATOM 5109 H1 TIP3 1201 -9.297 25.297 12.391 1.00 0.00 WAT1 ATOM 5110 H2 TIP3 1201 -10.604 24.522 12.114 1.00 0.00 WAT1 ATOM 5111 OH2 TIP3 1202 -7.462 27.967 9.967 1.00 0.00 WAT1 ATOM 5112 H1 TIP3 1202 -8.303 28.278 10.369 1.00 0.00 WAT1 ATOM 5113 H2 TIP3 1202 -7.131 28.744 9.484 1.00 0.00 WAT1 ATOM 5114 OH2 TIP3 1203 -3.993 13.239 13.173 1.00 0.00 WAT1 ATOM 5115 H1 TIP3 1203 -3.735 13.292 14.118 1.00 0.00 WAT1 ATOM 5116 H2 TIP3 1203 -3.807 14.140 12.829 1.00 0.00 WAT1 ATOM 5117 OH2 TIP3 1204 0.945 11.303 16.337 1.00 0.00 WAT1 ATOM 5118 H1 TIP3 1204 0.830 10.635 15.632 1.00 0.00 WAT1 ATOM 5119 H2 TIP3 1204 0.673 12.150 15.914 1.00 0.00 WAT1 ATOM 5120 OH2 TIP3 1205 -5.382 16.698 14.646 1.00 0.00 WAT1 ATOM 5121 H1 TIP3 1205 -5.990 17.262 14.113 1.00 0.00 WAT1 ATOM 5122 H2 TIP3 1205 -4.867 17.345 15.186 1.00 0.00 WAT1 ATOM 5123 OH2 TIP3 1206 -3.908 18.083 16.376 1.00 0.00 WAT1 ATOM 5124 H1 TIP3 1206 -4.378 18.329 17.204 1.00 0.00 WAT1 ATOM 5125 H2 TIP3 1206 -3.174 17.520 16.677 1.00 0.00 WAT1 ATOM 5126 OH2 TIP3 1207 -11.572 15.205 4.553 1.00 0.00 WAT1 ATOM 5127 H1 TIP3 1207 -12.044 14.532 5.075 1.00 0.00 WAT1 ATOM 5128 H2 TIP3 1207 -12.194 15.423 3.823 1.00 0.00 WAT1 ATOM 5129 OH2 TIP3 1208 -5.371 16.208 8.067 1.00 0.00 WAT1 ATOM 5130 H1 TIP3 1208 -4.800 16.050 7.302 1.00 0.00 WAT1 ATOM 5131 H2 TIP3 1208 -5.508 15.314 8.453 1.00 0.00 WAT1 ATOM 5132 OH2 TIP3 1209 -3.798 15.948 4.548 1.00 0.00 WAT1 ATOM 5133 H1 TIP3 1209 -4.429 16.545 4.123 1.00 0.00 WAT1 ATOM 5134 H2 TIP3 1209 -2.977 16.049 4.016 1.00 0.00 WAT1 ATOM 5135 OH2 TIP3 1210 -5.657 11.102 8.413 1.00 0.00 WAT1 ATOM 5136 H1 TIP3 1210 -5.454 10.592 9.226 1.00 0.00 WAT1 ATOM 5137 H2 TIP3 1210 -4.823 11.077 7.901 1.00 0.00 WAT1 ATOM 5138 OH2 TIP3 1211 -1.044 15.775 13.944 1.00 0.00 WAT1 ATOM 5139 H1 TIP3 1211 -1.951 15.740 13.562 1.00 0.00 WAT1 ATOM 5140 H2 TIP3 1211 -0.549 16.320 13.325 1.00 0.00 WAT1 ATOM 5141 OH2 TIP3 1212 -7.453 17.958 7.432 1.00 0.00 WAT1 ATOM 5142 H1 TIP3 1212 -7.162 18.802 7.828 1.00 0.00 WAT1 ATOM 5143 H2 TIP3 1212 -6.751 17.320 7.684 1.00 0.00 WAT1 ATOM 5144 OH2 TIP3 1213 -6.863 18.284 12.997 1.00 0.00 WAT1 ATOM 5145 H1 TIP3 1213 -6.474 18.879 12.329 1.00 0.00 WAT1 ATOM 5146 H2 TIP3 1213 -7.742 18.066 12.637 1.00 0.00 WAT1 ATOM 5147 OH2 TIP3 1214 -7.910 25.542 11.239 1.00 0.00 WAT1 ATOM 5148 H1 TIP3 1214 -7.714 26.394 10.789 1.00 0.00 WAT1 ATOM 5149 H2 TIP3 1214 -7.329 24.911 10.810 1.00 0.00 WAT1 ATOM 5150 OH2 TIP3 1215 -1.756 24.490 -0.375 1.00 0.00 WAT1 ATOM 5151 H1 TIP3 1215 -2.039 23.738 0.204 1.00 0.00 WAT1 ATOM 5152 H2 TIP3 1215 -0.795 24.317 -0.538 1.00 0.00 WAT1 ATOM 5153 OH2 TIP3 1216 -3.585 26.058 0.971 1.00 0.00 WAT1 ATOM 5154 H1 TIP3 1216 -3.046 25.643 0.268 1.00 0.00 WAT1 ATOM 5155 H2 TIP3 1216 -2.928 26.473 1.561 1.00 0.00 WAT1 ATOM 5156 OH2 TIP3 1217 -6.277 18.531 2.825 1.00 0.00 WAT1 ATOM 5157 H1 TIP3 1217 -5.911 18.908 1.999 1.00 0.00 WAT1 ATOM 5158 H2 TIP3 1217 -6.454 17.590 2.602 1.00 0.00 WAT1 ATOM 5159 OH2 TIP3 1218 -6.655 26.052 5.218 1.00 0.00 WAT1 ATOM 5160 H1 TIP3 1218 -6.616 25.958 6.178 1.00 0.00 WAT1 ATOM 5161 H2 TIP3 1218 -5.712 26.078 4.939 1.00 0.00 WAT1 ATOM 5162 OH2 TIP3 1219 -6.937 15.900 2.705 1.00 0.00 WAT1 ATOM 5163 H1 TIP3 1219 -7.668 15.855 3.352 1.00 0.00 WAT1 ATOM 5164 H2 TIP3 1219 -6.541 15.011 2.733 1.00 0.00 WAT1 ATOM 5165 OH2 TIP3 1220 -5.821 13.739 9.361 1.00 0.00 WAT1 ATOM 5166 H1 TIP3 1220 -5.934 13.310 10.243 1.00 0.00 WAT1 ATOM 5167 H2 TIP3 1220 -5.762 12.985 8.745 1.00 0.00 WAT1 ATOM 5168 OH2 TIP3 1221 -8.529 26.405 1.686 1.00 0.00 WAT1 ATOM 5169 H1 TIP3 1221 -7.786 26.813 1.189 1.00 0.00 WAT1 ATOM 5170 H2 TIP3 1221 -8.550 26.892 2.530 1.00 0.00 WAT1 ATOM 5171 OH2 TIP3 1222 -10.763 25.921 23.162 1.00 0.00 WAT1 ATOM 5172 H1 TIP3 1222 -10.553 26.175 22.241 1.00 0.00 WAT1 ATOM 5173 H2 TIP3 1222 -11.715 26.116 23.249 1.00 0.00 WAT1 ATOM 5174 OH2 TIP3 1223 -8.945 18.864 20.725 1.00 0.00 WAT1 ATOM 5175 H1 TIP3 1223 -9.742 19.418 20.856 1.00 0.00 WAT1 ATOM 5176 H2 TIP3 1223 -9.296 18.031 20.351 1.00 0.00 WAT1 ATOM 5177 OH2 TIP3 1224 -4.116 26.049 4.135 1.00 0.00 WAT1 ATOM 5178 H1 TIP3 1224 -4.249 25.197 3.663 1.00 0.00 WAT1 ATOM 5179 H2 TIP3 1224 -3.213 26.327 3.873 1.00 0.00 WAT1 ATOM 5180 OH2 TIP3 1225 -1.673 16.376 2.826 1.00 0.00 WAT1 ATOM 5181 H1 TIP3 1225 -0.733 16.179 2.762 1.00 0.00 WAT1 ATOM 5182 H2 TIP3 1225 -1.894 16.765 1.971 1.00 0.00 WAT1 ATOM 5183 OH2 TIP3 1226 -3.265 13.805 15.808 1.00 0.00 WAT1 ATOM 5184 H1 TIP3 1226 -4.051 14.267 16.168 1.00 0.00 WAT1 ATOM 5185 H2 TIP3 1226 -3.113 13.076 16.431 1.00 0.00 WAT1 ATOM 5186 OH2 TIP3 1227 -0.001 13.748 15.527 1.00 0.00 WAT1 ATOM 5187 H1 TIP3 1227 -0.428 14.323 14.859 1.00 0.00 WAT1 ATOM 5188 H2 TIP3 1227 -0.072 14.250 16.348 1.00 0.00 WAT1 ATOM 5189 OH2 TIP3 1228 -3.544 17.809 20.830 1.00 0.00 WAT1 ATOM 5190 H1 TIP3 1228 -3.172 17.046 20.327 1.00 0.00 WAT1 ATOM 5191 H2 TIP3 1228 -2.768 18.283 21.146 1.00 0.00 WAT1 ATOM 5192 OH2 TIP3 1229 -1.944 16.077 16.616 1.00 0.00 WAT1 ATOM 5193 H1 TIP3 1229 -1.442 16.364 15.832 1.00 0.00 WAT1 ATOM 5194 H2 TIP3 1229 -2.384 15.251 16.323 1.00 0.00 WAT1 ATOM 5195 OH2 TIP3 1230 -4.498 12.724 18.170 1.00 0.00 WAT1 ATOM 5196 H1 TIP3 1230 -4.860 13.616 18.001 1.00 0.00 WAT1 ATOM 5197 H2 TIP3 1230 -4.173 12.771 19.089 1.00 0.00 WAT1 ATOM 5198 OH2 TIP3 1231 -4.207 8.946 22.510 1.00 0.00 WAT1 ATOM 5199 H1 TIP3 1231 -4.125 9.919 22.416 1.00 0.00 WAT1 ATOM 5200 H2 TIP3 1231 -3.719 8.745 23.327 1.00 0.00 WAT1 ATOM 5201 OH2 TIP3 1232 0.304 12.331 18.819 1.00 0.00 WAT1 ATOM 5202 H1 TIP3 1232 -0.036 11.541 19.249 1.00 0.00 WAT1 ATOM 5203 H2 TIP3 1232 0.583 12.017 17.930 1.00 0.00 WAT1 ATOM 5204 OH2 TIP3 1233 -6.741 30.696 4.662 1.00 0.00 WAT1 ATOM 5205 H1 TIP3 1233 -7.604 31.086 4.922 1.00 0.00 WAT1 ATOM 5206 H2 TIP3 1233 -6.535 30.079 5.377 1.00 0.00 WAT1 ATOM 5207 OH2 TIP3 1234 -8.971 29.133 6.314 1.00 0.00 WAT1 ATOM 5208 H1 TIP3 1234 -9.278 30.006 5.990 1.00 0.00 WAT1 ATOM 5209 H2 TIP3 1234 -9.640 28.881 6.998 1.00 0.00 WAT1 ATOM 5210 OH2 TIP3 1235 -9.759 28.966 10.997 1.00 0.00 WAT1 ATOM 5211 H1 TIP3 1235 -10.086 28.737 11.876 1.00 0.00 WAT1 ATOM 5212 H2 TIP3 1235 -9.883 29.943 10.940 1.00 0.00 WAT1 ATOM 5213 OH2 TIP3 1236 -9.054 17.164 11.725 1.00 0.00 WAT1 ATOM 5214 H1 TIP3 1236 -8.310 16.575 11.445 1.00 0.00 WAT1 ATOM 5215 H2 TIP3 1236 -9.326 17.609 10.897 1.00 0.00 WAT1 ATOM 5216 OH2 TIP3 1237 -8.907 15.842 4.676 1.00 0.00 WAT1 ATOM 5217 H1 TIP3 1237 -8.889 16.815 4.786 1.00 0.00 WAT1 ATOM 5218 H2 TIP3 1237 -9.869 15.627 4.589 1.00 0.00 WAT1 ATOM 5219 OH2 TIP3 1238 -6.048 12.264 11.635 1.00 0.00 WAT1 ATOM 5220 H1 TIP3 1238 -6.329 11.416 12.029 1.00 0.00 WAT1 ATOM 5221 H2 TIP3 1238 -5.387 12.616 12.267 1.00 0.00 WAT1 ATOM 5222 OH2 TIP3 1239 -3.379 11.487 6.900 1.00 0.00 WAT1 ATOM 5223 H1 TIP3 1239 -3.954 12.143 6.449 1.00 0.00 WAT1 ATOM 5224 H2 TIP3 1239 -2.491 11.722 6.615 1.00 0.00 WAT1 ATOM 5225 OH2 TIP3 1240 -8.171 27.905 3.960 1.00 0.00 WAT1 ATOM 5226 H1 TIP3 1240 -8.529 28.324 4.773 1.00 0.00 WAT1 ATOM 5227 H2 TIP3 1240 -7.583 27.190 4.304 1.00 0.00 WAT1 ATOM 5228 OH2 TIP3 1241 -4.770 13.527 5.477 1.00 0.00 WAT1 ATOM 5229 H1 TIP3 1241 -5.152 13.260 4.609 1.00 0.00 WAT1 ATOM 5230 H2 TIP3 1241 -4.330 14.386 5.285 1.00 0.00 WAT1 ATOM 5231 OH2 TIP3 1242 1.405 7.474 18.236 1.00 0.00 WAT1 ATOM 5232 H1 TIP3 1242 1.383 8.370 18.581 1.00 0.00 WAT1 ATOM 5233 H2 TIP3 1242 0.545 7.088 18.513 1.00 0.00 WAT1 ATOM 5234 OH2 TIP3 1243 9.263 10.862 23.761 1.00 0.00 WAT1 ATOM 5235 H1 TIP3 1243 9.554 11.349 24.541 1.00 0.00 WAT1 ATOM 5236 H2 TIP3 1243 9.657 11.341 23.021 1.00 0.00 WAT1 ATOM 5237 OH2 TIP3 1244 -2.393 15.800 19.393 1.00 0.00 WAT1 ATOM 5238 H1 TIP3 1244 -2.328 15.999 18.436 1.00 0.00 WAT1 ATOM 5239 H2 TIP3 1244 -1.483 15.503 19.636 1.00 0.00 WAT1 ATOM 5240 OH2 TIP3 1245 -6.087 15.000 20.126 1.00 0.00 WAT1 ATOM 5241 H1 TIP3 1245 -5.890 15.639 19.425 1.00 0.00 WAT1 ATOM 5242 H2 TIP3 1245 -6.048 15.534 20.959 1.00 0.00 WAT1 ATOM 5243 OH2 TIP3 1246 -5.672 16.627 22.221 1.00 0.00 WAT1 ATOM 5244 H1 TIP3 1246 -4.933 17.191 21.926 1.00 0.00 WAT1 ATOM 5245 H2 TIP3 1246 -6.302 17.252 22.642 1.00 0.00 WAT1 ATOM 5246 OH2 TIP3 1247 -1.371 9.540 21.907 1.00 0.00 WAT1 ATOM 5247 H1 TIP3 1247 -2.098 9.125 21.420 1.00 0.00 WAT1 ATOM 5248 H2 TIP3 1247 -1.599 9.394 22.850 1.00 0.00 WAT1 ATOM 5249 OH2 TIP3 1248 6.830 9.776 22.817 1.00 0.00 WAT1 ATOM 5250 H1 TIP3 1248 6.019 9.946 23.337 1.00 0.00 WAT1 ATOM 5251 H2 TIP3 1248 7.518 10.298 23.264 1.00 0.00 WAT1 ATOM 5252 OH2 TIP3 1249 -3.767 13.673 20.655 1.00 0.00 WAT1 ATOM 5253 H1 TIP3 1249 -3.200 14.397 20.316 1.00 0.00 WAT1 ATOM 5254 H2 TIP3 1249 -4.677 14.043 20.608 1.00 0.00 WAT1 ATOM 5255 OH2 TIP3 1250 -2.328 32.504 -18.467 1.00 0.00 WAT1 ATOM 5256 H1 TIP3 1250 -1.905 33.256 -18.887 1.00 0.00 WAT1 ATOM 5257 H2 TIP3 1250 -2.489 31.873 -19.208 1.00 0.00 WAT1 ATOM 5258 OH2 TIP3 1251 -7.724 32.979 -22.216 1.00 0.00 WAT1 ATOM 5259 H1 TIP3 1251 -7.678 33.305 -21.287 1.00 0.00 WAT1 ATOM 5260 H2 TIP3 1251 -7.024 32.324 -22.271 1.00 0.00 WAT1 ATOM 5261 OH2 TIP3 1252 -3.412 30.798 -16.671 1.00 0.00 WAT1 ATOM 5262 H1 TIP3 1252 -2.903 31.509 -17.127 1.00 0.00 WAT1 ATOM 5263 H2 TIP3 1252 -3.330 30.028 -17.271 1.00 0.00 WAT1 ATOM 5264 OH2 TIP3 1253 -2.426 29.208 -14.459 1.00 0.00 WAT1 ATOM 5265 H1 TIP3 1253 -3.013 29.373 -13.686 1.00 0.00 WAT1 ATOM 5266 H2 TIP3 1253 -2.632 29.939 -15.076 1.00 0.00 WAT1 ATOM 5267 OH2 TIP3 1254 -9.780 34.606 -23.031 1.00 0.00 WAT1 ATOM 5268 H1 TIP3 1254 -9.495 34.962 -23.875 1.00 0.00 WAT1 ATOM 5269 H2 TIP3 1254 -9.062 33.987 -22.775 1.00 0.00 WAT1 ATOM 5270 OH2 TIP3 1255 -7.841 30.434 -19.213 1.00 0.00 WAT1 ATOM 5271 H1 TIP3 1255 -8.168 31.077 -18.564 1.00 0.00 WAT1 ATOM 5272 H2 TIP3 1255 -7.035 30.068 -18.795 1.00 0.00 WAT1 ATOM 5273 OH2 TIP3 1256 -2.742 30.598 -20.349 1.00 0.00 WAT1 ATOM 5274 H1 TIP3 1256 -3.012 29.878 -19.732 1.00 0.00 WAT1 ATOM 5275 H2 TIP3 1256 -2.509 30.138 -21.159 1.00 0.00 WAT1 ATOM 5276 OH2 TIP3 1257 -7.832 38.634 -3.326 1.00 0.00 WAT1 ATOM 5277 H1 TIP3 1257 -7.476 39.543 -3.228 1.00 0.00 WAT1 ATOM 5278 H2 TIP3 1257 -8.587 38.735 -3.938 1.00 0.00 WAT1 ATOM 5279 OH2 TIP3 1258 -12.536 40.769 -8.540 1.00 0.00 WAT1 ATOM 5280 H1 TIP3 1258 -12.088 41.131 -9.311 1.00 0.00 WAT1 ATOM 5281 H2 TIP3 1258 -11.826 40.690 -7.862 1.00 0.00 WAT1 ATOM 5282 OH2 TIP3 1259 -5.123 30.514 -5.182 1.00 0.00 WAT1 ATOM 5283 H1 TIP3 1259 -5.257 31.418 -4.871 1.00 0.00 WAT1 ATOM 5284 H2 TIP3 1259 -5.032 30.610 -6.161 1.00 0.00 WAT1 ATOM 5285 OH2 TIP3 1260 -3.185 34.153 -0.975 1.00 0.00 WAT1 ATOM 5286 H1 TIP3 1260 -4.009 33.658 -1.075 1.00 0.00 WAT1 ATOM 5287 H2 TIP3 1260 -3.473 35.084 -0.907 1.00 0.00 WAT1 ATOM 5288 OH2 TIP3 1261 -3.444 29.895 -3.070 1.00 0.00 WAT1 ATOM 5289 H1 TIP3 1261 -4.176 30.054 -3.703 1.00 0.00 WAT1 ATOM 5290 H2 TIP3 1261 -2.637 30.108 -3.588 1.00 0.00 WAT1 ATOM 5291 OH2 TIP3 1262 -4.729 41.064 -4.699 1.00 0.00 WAT1 ATOM 5292 H1 TIP3 1262 -4.479 41.990 -4.758 1.00 0.00 WAT1 ATOM 5293 H2 TIP3 1262 -5.430 41.047 -4.007 1.00 0.00 WAT1 ATOM 5294 OH2 TIP3 1263 -12.028 35.323 -16.004 1.00 0.00 WAT1 ATOM 5295 H1 TIP3 1263 -12.909 35.557 -15.647 1.00 0.00 WAT1 ATOM 5296 H2 TIP3 1263 -12.010 35.746 -16.891 1.00 0.00 WAT1 ATOM 5297 OH2 TIP3 1264 -5.524 37.141 -3.166 1.00 0.00 WAT1 ATOM 5298 H1 TIP3 1264 -4.904 37.565 -3.796 1.00 0.00 WAT1 ATOM 5299 H2 TIP3 1264 -6.350 37.661 -3.256 1.00 0.00 WAT1 ATOM 5300 OH2 TIP3 1265 -2.509 30.319 -0.541 1.00 0.00 WAT1 ATOM 5301 H1 TIP3 1265 -1.879 31.074 -0.657 1.00 0.00 WAT1 ATOM 5302 H2 TIP3 1265 -2.797 30.108 -1.458 1.00 0.00 WAT1 ATOM 5303 OH2 TIP3 1266 -3.178 35.743 -7.230 1.00 0.00 WAT1 ATOM 5304 H1 TIP3 1266 -3.301 34.840 -6.868 1.00 0.00 WAT1 ATOM 5305 H2 TIP3 1266 -3.258 35.626 -8.178 1.00 0.00 WAT1 ATOM 5306 OH2 TIP3 1267 -3.964 31.774 -10.777 1.00 0.00 WAT1 ATOM 5307 H1 TIP3 1267 -4.685 31.800 -10.095 1.00 0.00 WAT1 ATOM 5308 H2 TIP3 1267 -4.220 32.480 -11.415 1.00 0.00 WAT1 ATOM 5309 OH2 TIP3 1268 -6.567 34.843 -2.000 1.00 0.00 WAT1 ATOM 5310 H1 TIP3 1268 -6.033 35.399 -2.600 1.00 0.00 WAT1 ATOM 5311 H2 TIP3 1268 -7.203 35.476 -1.597 1.00 0.00 WAT1 ATOM 5312 OH2 TIP3 1269 -3.416 34.567 -14.995 1.00 0.00 WAT1 ATOM 5313 H1 TIP3 1269 -3.109 35.306 -15.524 1.00 0.00 WAT1 ATOM 5314 H2 TIP3 1269 -4.033 34.085 -15.587 1.00 0.00 WAT1 ATOM 5315 OH2 TIP3 1270 -6.869 33.230 -14.115 1.00 0.00 WAT1 ATOM 5316 H1 TIP3 1270 -6.366 33.387 -14.939 1.00 0.00 WAT1 ATOM 5317 H2 TIP3 1270 -7.408 32.426 -14.316 1.00 0.00 WAT1 ATOM 5318 OH2 TIP3 1271 -3.418 33.031 -6.824 1.00 0.00 WAT1 ATOM 5319 H1 TIP3 1271 -4.068 32.433 -7.258 1.00 0.00 WAT1 ATOM 5320 H2 TIP3 1271 -2.563 32.569 -6.930 1.00 0.00 WAT1 ATOM 5321 OH2 TIP3 1272 -4.515 33.458 -12.780 1.00 0.00 WAT1 ATOM 5322 H1 TIP3 1272 -5.412 33.429 -13.171 1.00 0.00 WAT1 ATOM 5323 H2 TIP3 1272 -3.988 33.963 -13.434 1.00 0.00 WAT1 ATOM 5324 OH2 TIP3 1273 -5.259 33.024 -16.372 1.00 0.00 WAT1 ATOM 5325 H1 TIP3 1273 -4.678 32.260 -16.551 1.00 0.00 WAT1 ATOM 5326 H2 TIP3 1273 -6.082 32.819 -16.859 1.00 0.00 WAT1 ATOM 5327 OH2 TIP3 1274 -6.682 41.102 -2.777 1.00 0.00 WAT1 ATOM 5328 H1 TIP3 1274 -7.577 41.505 -2.806 1.00 0.00 WAT1 ATOM 5329 H2 TIP3 1274 -6.451 41.096 -1.818 1.00 0.00 WAT1 ATOM 5330 OH2 TIP3 1275 1.023 33.594 -2.616 1.00 0.00 WAT1 ATOM 5331 H1 TIP3 1275 0.848 33.154 -3.476 1.00 0.00 WAT1 ATOM 5332 H2 TIP3 1275 1.728 34.215 -2.806 1.00 0.00 WAT1 ATOM 5333 OH2 TIP3 1276 -4.093 36.805 -0.849 1.00 0.00 WAT1 ATOM 5334 H1 TIP3 1276 -4.758 36.930 -1.562 1.00 0.00 WAT1 ATOM 5335 H2 TIP3 1276 -3.257 37.122 -1.252 1.00 0.00 WAT1 ATOM 5336 OH2 TIP3 1277 0.613 32.164 -4.926 1.00 0.00 WAT1 ATOM 5337 H1 TIP3 1277 -0.224 31.672 -4.800 1.00 0.00 WAT1 ATOM 5338 H2 TIP3 1277 0.809 32.060 -5.879 1.00 0.00 WAT1 ATOM 5339 OH2 TIP3 1278 -7.901 32.384 -11.627 1.00 0.00 WAT1 ATOM 5340 H1 TIP3 1278 -7.403 32.818 -12.343 1.00 0.00 WAT1 ATOM 5341 H2 TIP3 1278 -7.273 32.382 -10.860 1.00 0.00 WAT1 ATOM 5342 OH2 TIP3 1279 -7.906 33.660 -19.597 1.00 0.00 WAT1 ATOM 5343 H1 TIP3 1279 -8.288 34.516 -19.292 1.00 0.00 WAT1 ATOM 5344 H2 TIP3 1279 -7.660 33.203 -18.768 1.00 0.00 WAT1 ATOM 5345 OH2 TIP3 1280 -9.299 41.830 -2.956 1.00 0.00 WAT1 ATOM 5346 H1 TIP3 1280 -9.926 41.091 -2.774 1.00 0.00 WAT1 ATOM 5347 H2 TIP3 1280 -9.675 42.577 -2.482 1.00 0.00 WAT1 ATOM 5348 OH2 TIP3 1281 -6.162 41.165 -0.056 1.00 0.00 WAT1 ATOM 5349 H1 TIP3 1281 -5.589 41.811 0.363 1.00 0.00 WAT1 ATOM 5350 H2 TIP3 1281 -6.325 40.497 0.649 1.00 0.00 WAT1 ATOM 5351 OH2 TIP3 1282 -3.688 38.517 -4.733 1.00 0.00 WAT1 ATOM 5352 H1 TIP3 1282 -4.016 39.447 -4.759 1.00 0.00 WAT1 ATOM 5353 H2 TIP3 1282 -3.518 38.298 -5.659 1.00 0.00 WAT1 ATOM 5354 OH2 TIP3 1283 -2.187 37.337 -2.748 1.00 0.00 WAT1 ATOM 5355 H1 TIP3 1283 -1.899 36.545 -3.211 1.00 0.00 WAT1 ATOM 5356 H2 TIP3 1283 -2.662 37.856 -3.431 1.00 0.00 WAT1 ATOM 5357 OH2 TIP3 1284 -0.958 32.494 -1.020 1.00 0.00 WAT1 ATOM 5358 H1 TIP3 1284 -0.220 32.917 -1.510 1.00 0.00 WAT1 ATOM 5359 H2 TIP3 1284 -1.660 33.181 -1.003 1.00 0.00 WAT1 ATOM 5360 OH2 TIP3 1285 -5.153 36.526 1.679 1.00 0.00 WAT1 ATOM 5361 H1 TIP3 1285 -4.306 36.344 2.099 1.00 0.00 WAT1 ATOM 5362 H2 TIP3 1285 -4.922 36.679 0.734 1.00 0.00 WAT1 ATOM 5363 OH2 TIP3 1286 -4.196 27.254 -2.590 1.00 0.00 WAT1 ATOM 5364 H1 TIP3 1286 -4.604 27.208 -3.483 1.00 0.00 WAT1 ATOM 5365 H2 TIP3 1286 -3.952 28.195 -2.491 1.00 0.00 WAT1 ATOM 5366 OH2 TIP3 1287 -4.852 28.393 2.813 1.00 0.00 WAT1 ATOM 5367 H1 TIP3 1287 -4.004 28.783 2.521 1.00 0.00 WAT1 ATOM 5368 H2 TIP3 1287 -4.588 27.625 3.356 1.00 0.00 WAT1 ATOM 5369 OH2 TIP3 1288 -2.414 29.608 2.092 1.00 0.00 WAT1 ATOM 5370 H1 TIP3 1288 -2.402 29.745 1.112 1.00 0.00 WAT1 ATOM 5371 H2 TIP3 1288 -2.411 30.504 2.454 1.00 0.00 WAT1 ATOM 5372 OH2 TIP3 1289 -5.175 30.284 0.229 1.00 0.00 WAT1 ATOM 5373 H1 TIP3 1289 -5.504 31.159 -0.080 1.00 0.00 WAT1 ATOM 5374 H2 TIP3 1289 -4.242 30.268 -0.062 1.00 0.00 WAT1 ATOM 5375 OH2 TIP3 1290 -10.598 40.617 -6.603 1.00 0.00 WAT1 ATOM 5376 H1 TIP3 1290 -9.925 41.254 -6.334 1.00 0.00 WAT1 ATOM 5377 H2 TIP3 1290 -10.322 39.778 -6.167 1.00 0.00 WAT1 ATOM 5378 OH2 TIP3 1291 -1.529 30.199 -5.009 1.00 0.00 WAT1 ATOM 5379 H1 TIP3 1291 -1.521 30.729 -5.834 1.00 0.00 WAT1 ATOM 5380 H2 TIP3 1291 -1.912 29.343 -5.285 1.00 0.00 WAT1 ATOM 5381 OH2 TIP3 1292 1.516 31.258 -7.491 1.00 0.00 WAT1 ATOM 5382 H1 TIP3 1292 1.658 30.289 -7.548 1.00 0.00 WAT1 ATOM 5383 H2 TIP3 1292 2.314 31.637 -7.875 1.00 0.00 WAT1 ATOM 5384 OH2 TIP3 1293 -1.669 32.018 -12.502 1.00 0.00 WAT1 ATOM 5385 H1 TIP3 1293 -2.424 32.159 -11.899 1.00 0.00 WAT1 ATOM 5386 H2 TIP3 1293 -1.813 32.651 -13.214 1.00 0.00 WAT1 ATOM 5387 OH2 TIP3 1294 -9.969 35.049 6.712 1.00 0.00 WAT1 ATOM 5388 H1 TIP3 1294 -10.170 35.309 5.787 1.00 0.00 WAT1 ATOM 5389 H2 TIP3 1294 -9.109 34.619 6.656 1.00 0.00 WAT1 ATOM 5390 OH2 TIP3 1295 -5.571 33.158 4.803 1.00 0.00 WAT1 ATOM 5391 H1 TIP3 1295 -5.864 32.252 4.595 1.00 0.00 WAT1 ATOM 5392 H2 TIP3 1295 -5.463 33.152 5.773 1.00 0.00 WAT1 ATOM 5393 OH2 TIP3 1296 -8.988 32.377 7.985 1.00 0.00 WAT1 ATOM 5394 H1 TIP3 1296 -8.771 32.964 8.721 1.00 0.00 WAT1 ATOM 5395 H2 TIP3 1296 -9.952 32.191 8.104 1.00 0.00 WAT1 ATOM 5396 OH2 TIP3 1297 -6.108 32.774 -0.310 1.00 0.00 WAT1 ATOM 5397 H1 TIP3 1297 -6.166 33.229 0.561 1.00 0.00 WAT1 ATOM 5398 H2 TIP3 1297 -6.350 33.471 -0.963 1.00 0.00 WAT1 ATOM 5399 OH2 TIP3 1298 -5.518 32.299 7.489 1.00 0.00 WAT1 ATOM 5400 H1 TIP3 1298 -4.761 32.288 8.079 1.00 0.00 WAT1 ATOM 5401 H2 TIP3 1298 -6.075 31.558 7.800 1.00 0.00 WAT1 ATOM 5402 OH2 TIP3 1299 -6.438 39.434 2.081 1.00 0.00 WAT1 ATOM 5403 H1 TIP3 1299 -6.873 39.542 2.956 1.00 0.00 WAT1 ATOM 5404 H2 TIP3 1299 -6.187 38.498 2.054 1.00 0.00 WAT1 ATOM 5405 OH2 TIP3 1300 -1.859 27.105 2.896 1.00 0.00 WAT1 ATOM 5406 H1 TIP3 1300 -1.938 28.058 2.649 1.00 0.00 WAT1 ATOM 5407 H2 TIP3 1300 -0.913 26.973 3.030 1.00 0.00 WAT1 ATOM 5408 OH2 TIP3 1301 -6.208 33.916 2.181 1.00 0.00 WAT1 ATOM 5409 H1 TIP3 1301 -6.011 34.865 2.046 1.00 0.00 WAT1 ATOM 5410 H2 TIP3 1301 -5.969 33.754 3.118 1.00 0.00 WAT1 ATOM 5411 OH2 TIP3 1302 -9.637 39.572 6.437 1.00 0.00 WAT1 ATOM 5412 H1 TIP3 1302 -10.450 40.091 6.588 1.00 0.00 WAT1 ATOM 5413 H2 TIP3 1302 -9.585 38.989 7.214 1.00 0.00 WAT1 ATOM 5414 OH2 TIP3 1303 -11.630 31.924 8.346 1.00 0.00 WAT1 ATOM 5415 H1 TIP3 1303 -12.169 32.496 7.760 1.00 0.00 WAT1 ATOM 5416 H2 TIP3 1303 -12.204 31.145 8.511 1.00 0.00 WAT1 ATOM 5417 OH2 TIP3 1304 -7.260 30.226 8.210 1.00 0.00 WAT1 ATOM 5418 H1 TIP3 1304 -7.742 29.614 7.621 1.00 0.00 WAT1 ATOM 5419 H2 TIP3 1304 -7.884 30.970 8.339 1.00 0.00 WAT1 ATOM 5420 OH2 TIP3 1305 -9.246 31.668 5.336 1.00 0.00 WAT1 ATOM 5421 H1 TIP3 1305 -9.075 32.063 6.220 1.00 0.00 WAT1 ATOM 5422 H2 TIP3 1305 -10.047 32.144 5.012 1.00 0.00 WAT1 ATOM 5423 OH2 TIP3 1306 12.731 -7.821 20.757 1.00 0.00 WAT1 ATOM 5424 H1 TIP3 1306 12.284 -8.469 21.341 1.00 0.00 WAT1 ATOM 5425 H2 TIP3 1306 12.056 -7.601 20.082 1.00 0.00 WAT1 ATOM 5426 OH2 TIP3 1307 10.594 -7.123 22.717 1.00 0.00 WAT1 ATOM 5427 H1 TIP3 1307 10.259 -7.978 23.060 1.00 0.00 WAT1 ATOM 5428 H2 TIP3 1307 9.823 -6.725 22.271 1.00 0.00 WAT1 ATOM 5429 OH2 TIP3 1308 14.668 -10.349 21.808 1.00 0.00 WAT1 ATOM 5430 H1 TIP3 1308 15.175 -9.942 21.092 1.00 0.00 WAT1 ATOM 5431 H2 TIP3 1308 15.237 -11.099 22.109 1.00 0.00 WAT1 ATOM 5432 OH2 TIP3 1309 10.800 -11.202 19.856 1.00 0.00 WAT1 ATOM 5433 H1 TIP3 1309 11.060 -11.949 19.306 1.00 0.00 WAT1 ATOM 5434 H2 TIP3 1309 10.519 -10.513 19.210 1.00 0.00 WAT1 ATOM 5435 OH2 TIP3 1310 18.461 -4.564 18.164 1.00 0.00 WAT1 ATOM 5436 H1 TIP3 1310 18.167 -4.929 17.326 1.00 0.00 WAT1 ATOM 5437 H2 TIP3 1310 18.116 -5.189 18.832 1.00 0.00 WAT1 ATOM 5438 OH2 TIP3 1311 9.946 -6.616 16.265 1.00 0.00 WAT1 ATOM 5439 H1 TIP3 1311 9.023 -6.333 16.428 1.00 0.00 WAT1 ATOM 5440 H2 TIP3 1311 9.855 -7.443 15.754 1.00 0.00 WAT1 ATOM 5441 OH2 TIP3 1312 13.337 -11.636 28.481 1.00 0.00 WAT1 ATOM 5442 H1 TIP3 1312 13.382 -11.843 29.442 1.00 0.00 WAT1 ATOM 5443 H2 TIP3 1312 14.122 -12.080 28.104 1.00 0.00 WAT1 ATOM 5444 OH2 TIP3 1313 20.520 -18.998 30.779 1.00 0.00 WAT1 ATOM 5445 H1 TIP3 1313 20.415 -19.845 30.333 1.00 0.00 WAT1 ATOM 5446 H2 TIP3 1313 21.430 -18.706 30.532 1.00 0.00 WAT1 ATOM 5447 OH2 TIP3 1314 16.833 -15.981 31.524 1.00 0.00 WAT1 ATOM 5448 H1 TIP3 1314 16.573 -16.778 31.997 1.00 0.00 WAT1 ATOM 5449 H2 TIP3 1314 17.775 -16.139 31.286 1.00 0.00 WAT1 ATOM 5450 OH2 TIP3 1315 25.947 -20.396 33.717 1.00 0.00 WAT1 ATOM 5451 H1 TIP3 1315 25.914 -21.357 33.668 1.00 0.00 WAT1 ATOM 5452 H2 TIP3 1315 26.818 -20.162 33.308 1.00 0.00 WAT1 ATOM 5453 OH2 TIP3 1316 16.351 -12.309 30.836 1.00 0.00 WAT1 ATOM 5454 H1 TIP3 1316 16.569 -11.532 30.278 1.00 0.00 WAT1 ATOM 5455 H2 TIP3 1316 16.912 -13.026 30.473 1.00 0.00 WAT1 ATOM 5456 OH2 TIP3 1317 22.987 -17.974 30.508 1.00 0.00 WAT1 ATOM 5457 H1 TIP3 1317 22.716 -17.032 30.587 1.00 0.00 WAT1 ATOM 5458 H2 TIP3 1317 23.567 -18.123 31.286 1.00 0.00 WAT1 ATOM 5459 OH2 TIP3 1318 16.306 -12.776 35.676 1.00 0.00 WAT1 ATOM 5460 H1 TIP3 1318 16.353 -13.598 36.178 1.00 0.00 WAT1 ATOM 5461 H2 TIP3 1318 16.494 -13.052 34.746 1.00 0.00 WAT1 ATOM 5462 OH2 TIP3 1319 15.552 -14.939 29.196 1.00 0.00 WAT1 ATOM 5463 H1 TIP3 1319 14.734 -15.439 29.276 1.00 0.00 WAT1 ATOM 5464 H2 TIP3 1319 16.113 -15.277 29.925 1.00 0.00 WAT1 ATOM 5465 OH2 TIP3 1320 25.456 -15.539 37.720 1.00 0.00 WAT1 ATOM 5466 H1 TIP3 1320 24.860 -16.203 37.312 1.00 0.00 WAT1 ATOM 5467 H2 TIP3 1320 24.866 -15.023 38.315 1.00 0.00 WAT1 ATOM 5468 OH2 TIP3 1321 20.280 -11.556 26.752 1.00 0.00 WAT1 ATOM 5469 H1 TIP3 1321 19.689 -12.232 27.152 1.00 0.00 WAT1 ATOM 5470 H2 TIP3 1321 20.072 -11.591 25.809 1.00 0.00 WAT1 ATOM 5471 OH2 TIP3 1322 26.180 -18.386 35.577 1.00 0.00 WAT1 ATOM 5472 H1 TIP3 1322 26.289 -17.750 34.838 1.00 0.00 WAT1 ATOM 5473 H2 TIP3 1322 26.121 -19.257 35.132 1.00 0.00 WAT1 ATOM 5474 OH2 TIP3 1323 25.848 -16.125 26.917 1.00 0.00 WAT1 ATOM 5475 H1 TIP3 1323 25.384 -16.770 27.508 1.00 0.00 WAT1 ATOM 5476 H2 TIP3 1323 25.860 -16.562 26.059 1.00 0.00 WAT1 ATOM 5477 OH2 TIP3 1324 21.327 -18.397 36.068 1.00 0.00 WAT1 ATOM 5478 H1 TIP3 1324 21.275 -18.387 35.088 1.00 0.00 WAT1 ATOM 5479 H2 TIP3 1324 20.571 -18.961 36.342 1.00 0.00 WAT1 ATOM 5480 OH2 TIP3 1325 18.338 -13.999 29.864 1.00 0.00 WAT1 ATOM 5481 H1 TIP3 1325 18.413 -13.804 28.901 1.00 0.00 WAT1 ATOM 5482 H2 TIP3 1325 18.651 -14.923 29.944 1.00 0.00 WAT1 ATOM 5483 OH2 TIP3 1326 16.853 -13.673 33.148 1.00 0.00 WAT1 ATOM 5484 H1 TIP3 1326 16.812 -14.539 32.695 1.00 0.00 WAT1 ATOM 5485 H2 TIP3 1326 16.574 -13.032 32.460 1.00 0.00 WAT1 ATOM 5486 OH2 TIP3 1327 18.690 -11.437 36.083 1.00 0.00 WAT1 ATOM 5487 H1 TIP3 1327 18.515 -10.493 36.269 1.00 0.00 WAT1 ATOM 5488 H2 TIP3 1327 17.799 -11.829 35.981 1.00 0.00 WAT1 ATOM 5489 OH2 TIP3 1328 18.529 -13.574 27.203 1.00 0.00 WAT1 ATOM 5490 H1 TIP3 1328 19.068 -14.088 26.554 1.00 0.00 WAT1 ATOM 5491 H2 TIP3 1328 17.632 -13.579 26.828 1.00 0.00 WAT1 ATOM 5492 OH2 TIP3 1329 14.408 -10.925 36.449 1.00 0.00 WAT1 ATOM 5493 H1 TIP3 1329 15.137 -11.509 36.144 1.00 0.00 WAT1 ATOM 5494 H2 TIP3 1329 13.697 -11.533 36.674 1.00 0.00 WAT1 ATOM 5495 OH2 TIP3 1330 12.923 -9.030 29.390 1.00 0.00 WAT1 ATOM 5496 H1 TIP3 1330 13.090 -9.900 28.973 1.00 0.00 WAT1 ATOM 5497 H2 TIP3 1330 13.345 -9.101 30.269 1.00 0.00 WAT1 ATOM 5498 OH2 TIP3 1331 27.879 -13.396 33.450 1.00 0.00 WAT1 ATOM 5499 H1 TIP3 1331 28.558 -14.058 33.201 1.00 0.00 WAT1 ATOM 5500 H2 TIP3 1331 27.516 -13.737 34.284 1.00 0.00 WAT1 ATOM 5501 OH2 TIP3 1332 20.449 -10.413 34.223 1.00 0.00 WAT1 ATOM 5502 H1 TIP3 1332 20.788 -9.531 34.497 1.00 0.00 WAT1 ATOM 5503 H2 TIP3 1332 19.935 -10.726 34.994 1.00 0.00 WAT1 ATOM 5504 OH2 TIP3 1333 20.177 -9.843 22.125 1.00 0.00 WAT1 ATOM 5505 H1 TIP3 1333 20.189 -10.284 21.270 1.00 0.00 WAT1 ATOM 5506 H2 TIP3 1333 20.814 -10.358 22.669 1.00 0.00 WAT1 ATOM 5507 OH2 TIP3 1334 22.734 -8.579 26.361 1.00 0.00 WAT1 ATOM 5508 H1 TIP3 1334 22.952 -7.634 26.547 1.00 0.00 WAT1 ATOM 5509 H2 TIP3 1334 23.109 -8.737 25.482 1.00 0.00 WAT1 ATOM 5510 OH2 TIP3 1335 20.369 -14.637 25.511 1.00 0.00 WAT1 ATOM 5511 H1 TIP3 1335 20.639 -15.540 25.316 1.00 0.00 WAT1 ATOM 5512 H2 TIP3 1335 21.206 -14.130 25.512 1.00 0.00 WAT1 ATOM 5513 OH2 TIP3 1336 22.046 -15.432 30.966 1.00 0.00 WAT1 ATOM 5514 H1 TIP3 1336 21.936 -15.335 31.940 1.00 0.00 WAT1 ATOM 5515 H2 TIP3 1336 22.618 -14.683 30.716 1.00 0.00 WAT1 ATOM 5516 OH2 TIP3 1337 19.181 -20.041 36.719 1.00 0.00 WAT1 ATOM 5517 H1 TIP3 1337 18.490 -20.418 36.165 1.00 0.00 WAT1 ATOM 5518 H2 TIP3 1337 19.102 -20.514 37.554 1.00 0.00 WAT1 ATOM 5519 OH2 TIP3 1338 19.420 -16.452 30.654 1.00 0.00 WAT1 ATOM 5520 H1 TIP3 1338 20.286 -16.002 30.744 1.00 0.00 WAT1 ATOM 5521 H2 TIP3 1338 19.651 -17.406 30.650 1.00 0.00 WAT1 ATOM 5522 OH2 TIP3 1339 16.744 -11.184 25.392 1.00 0.00 WAT1 ATOM 5523 H1 TIP3 1339 17.113 -10.444 25.917 1.00 0.00 WAT1 ATOM 5524 H2 TIP3 1339 16.264 -11.727 26.051 1.00 0.00 WAT1 ATOM 5525 OH2 TIP3 1340 19.642 -13.269 32.133 1.00 0.00 WAT1 ATOM 5526 H1 TIP3 1340 19.008 -13.406 32.857 1.00 0.00 WAT1 ATOM 5527 H2 TIP3 1340 19.130 -13.484 31.323 1.00 0.00 WAT1 ATOM 5528 OH2 TIP3 1341 13.682 -11.809 31.179 1.00 0.00 WAT1 ATOM 5529 H1 TIP3 1341 14.610 -12.124 31.150 1.00 0.00 WAT1 ATOM 5530 H2 TIP3 1341 13.745 -10.921 31.588 1.00 0.00 WAT1 ATOM 5531 OH2 TIP3 1342 24.817 -9.304 24.025 1.00 0.00 WAT1 ATOM 5532 H1 TIP3 1342 25.701 -9.678 23.779 1.00 0.00 WAT1 ATOM 5533 H2 TIP3 1342 24.245 -9.548 23.287 1.00 0.00 WAT1 ATOM 5534 OH2 TIP3 1343 27.166 -14.981 35.648 1.00 0.00 WAT1 ATOM 5535 H1 TIP3 1343 26.572 -15.177 36.411 1.00 0.00 WAT1 ATOM 5536 H2 TIP3 1343 27.946 -15.550 35.806 1.00 0.00 WAT1 ATOM 5537 OH2 TIP3 1344 27.636 -10.685 26.365 1.00 0.00 WAT1 ATOM 5538 H1 TIP3 1344 27.941 -9.756 26.459 1.00 0.00 WAT1 ATOM 5539 H2 TIP3 1344 26.685 -10.651 26.622 1.00 0.00 WAT1 ATOM 5540 OH2 TIP3 1345 17.186 -10.695 28.819 1.00 0.00 WAT1 ATOM 5541 H1 TIP3 1345 18.081 -10.676 29.224 1.00 0.00 WAT1 ATOM 5542 H2 TIP3 1345 17.229 -10.019 28.110 1.00 0.00 WAT1 ATOM 5543 OH2 TIP3 1346 17.567 -8.933 26.759 1.00 0.00 WAT1 ATOM 5544 H1 TIP3 1346 18.538 -8.798 26.812 1.00 0.00 WAT1 ATOM 5545 H2 TIP3 1346 17.208 -8.037 26.607 1.00 0.00 WAT1 ATOM 5546 OH2 TIP3 1347 22.770 -6.879 36.388 1.00 0.00 WAT1 ATOM 5547 H1 TIP3 1347 21.957 -7.061 36.922 1.00 0.00 WAT1 ATOM 5548 H2 TIP3 1347 22.963 -5.952 36.563 1.00 0.00 WAT1 ATOM 5549 OH2 TIP3 1348 20.257 -8.957 27.413 1.00 0.00 WAT1 ATOM 5550 H1 TIP3 1348 21.137 -8.683 27.067 1.00 0.00 WAT1 ATOM 5551 H2 TIP3 1348 20.247 -9.932 27.284 1.00 0.00 WAT1 ATOM 5552 OH2 TIP3 1349 13.779 -9.214 32.055 1.00 0.00 WAT1 ATOM 5553 H1 TIP3 1349 12.895 -8.790 32.195 1.00 0.00 WAT1 ATOM 5554 H2 TIP3 1349 14.234 -9.089 32.895 1.00 0.00 WAT1 ATOM 5555 OH2 TIP3 1350 22.135 -11.475 23.308 1.00 0.00 WAT1 ATOM 5556 H1 TIP3 1350 22.267 -11.888 24.191 1.00 0.00 WAT1 ATOM 5557 H2 TIP3 1350 22.625 -12.046 22.709 1.00 0.00 WAT1 ATOM 5558 OH2 TIP3 1351 16.498 -12.069 22.805 1.00 0.00 WAT1 ATOM 5559 H1 TIP3 1351 16.650 -11.757 23.725 1.00 0.00 WAT1 ATOM 5560 H2 TIP3 1351 16.923 -12.931 22.774 1.00 0.00 WAT1 ATOM 5561 OH2 TIP3 1352 15.761 -12.731 27.579 1.00 0.00 WAT1 ATOM 5562 H1 TIP3 1352 16.259 -12.082 28.121 1.00 0.00 WAT1 ATOM 5563 H2 TIP3 1352 15.681 -13.524 28.165 1.00 0.00 WAT1 ATOM 5564 OH2 TIP3 1353 11.928 -10.128 22.083 1.00 0.00 WAT1 ATOM 5565 H1 TIP3 1353 11.565 -10.601 21.301 1.00 0.00 WAT1 ATOM 5566 H2 TIP3 1353 12.897 -10.283 22.029 1.00 0.00 WAT1 ATOM 5567 OH2 TIP3 1354 17.415 -8.685 21.482 1.00 0.00 WAT1 ATOM 5568 H1 TIP3 1354 16.895 -8.741 22.305 1.00 0.00 WAT1 ATOM 5569 H2 TIP3 1354 18.240 -9.150 21.692 1.00 0.00 WAT1 ATOM 5570 OH2 TIP3 1355 19.943 -13.948 35.416 1.00 0.00 WAT1 ATOM 5571 H1 TIP3 1355 20.411 -14.082 36.251 1.00 0.00 WAT1 ATOM 5572 H2 TIP3 1355 19.563 -13.052 35.497 1.00 0.00 WAT1 ATOM 5573 OH2 TIP3 1356 21.601 -15.397 33.676 1.00 0.00 WAT1 ATOM 5574 H1 TIP3 1356 21.402 -16.356 33.725 1.00 0.00 WAT1 ATOM 5575 H2 TIP3 1356 20.854 -14.969 34.152 1.00 0.00 WAT1 ATOM 5576 OH2 TIP3 1357 23.261 -13.948 35.354 1.00 0.00 WAT1 ATOM 5577 H1 TIP3 1357 22.861 -14.283 36.174 1.00 0.00 WAT1 ATOM 5578 H2 TIP3 1357 22.802 -14.452 34.646 1.00 0.00 WAT1 ATOM 5579 OH2 TIP3 1358 21.467 -18.179 33.344 1.00 0.00 WAT1 ATOM 5580 H1 TIP3 1358 22.429 -18.302 33.192 1.00 0.00 WAT1 ATOM 5581 H2 TIP3 1358 21.049 -18.536 32.534 1.00 0.00 WAT1 ATOM 5582 OH2 TIP3 1359 21.784 -15.678 37.125 1.00 0.00 WAT1 ATOM 5583 H1 TIP3 1359 22.566 -16.268 37.057 1.00 0.00 WAT1 ATOM 5584 H2 TIP3 1359 21.048 -16.235 36.829 1.00 0.00 WAT1 ATOM 5585 OH2 TIP3 1360 9.682 -9.563 23.521 1.00 0.00 WAT1 ATOM 5586 H1 TIP3 1360 9.455 -10.200 24.228 1.00 0.00 WAT1 ATOM 5587 H2 TIP3 1360 10.532 -9.899 23.154 1.00 0.00 WAT1 ATOM 5588 OH2 TIP3 1361 27.118 -9.727 29.678 1.00 0.00 WAT1 ATOM 5589 H1 TIP3 1361 27.787 -10.278 29.237 1.00 0.00 WAT1 ATOM 5590 H2 TIP3 1361 27.064 -10.101 30.581 1.00 0.00 WAT1 ATOM 5591 OH2 TIP3 1362 25.617 -12.649 35.999 1.00 0.00 WAT1 ATOM 5592 H1 TIP3 1362 24.767 -13.119 35.888 1.00 0.00 WAT1 ATOM 5593 H2 TIP3 1362 26.288 -13.341 35.869 1.00 0.00 WAT1 ATOM 5594 OH2 TIP3 1363 22.521 -12.864 25.685 1.00 0.00 WAT1 ATOM 5595 H1 TIP3 1363 22.038 -12.361 26.365 1.00 0.00 WAT1 ATOM 5596 H2 TIP3 1363 23.374 -13.108 26.126 1.00 0.00 WAT1 ATOM 5597 OH2 TIP3 1364 28.518 -15.731 27.620 1.00 0.00 WAT1 ATOM 5598 H1 TIP3 1364 27.578 -15.872 27.393 1.00 0.00 WAT1 ATOM 5599 H2 TIP3 1364 28.622 -14.754 27.603 1.00 0.00 WAT1 ATOM 5600 OH2 TIP3 1365 23.821 -11.763 33.693 1.00 0.00 WAT1 ATOM 5601 H1 TIP3 1365 24.657 -11.394 34.017 1.00 0.00 WAT1 ATOM 5602 H2 TIP3 1365 23.606 -12.466 34.340 1.00 0.00 WAT1 ATOM 5603 OH2 TIP3 1366 24.555 -18.063 28.262 1.00 0.00 WAT1 ATOM 5604 H1 TIP3 1366 24.963 -18.959 28.228 1.00 0.00 WAT1 ATOM 5605 H2 TIP3 1366 23.943 -18.108 29.024 1.00 0.00 WAT1 ATOM 5606 OH2 TIP3 1367 26.406 -17.649 39.244 1.00 0.00 WAT1 ATOM 5607 H1 TIP3 1367 26.180 -16.827 38.764 1.00 0.00 WAT1 ATOM 5608 H2 TIP3 1367 25.629 -18.206 39.136 1.00 0.00 WAT1 ATOM 5609 OH2 TIP3 1368 25.795 -20.490 28.184 1.00 0.00 WAT1 ATOM 5610 H1 TIP3 1368 26.705 -20.346 28.529 1.00 0.00 WAT1 ATOM 5611 H2 TIP3 1368 25.861 -21.308 27.686 1.00 0.00 WAT1 ATOM 5612 OH2 TIP3 1369 24.265 -18.323 32.912 1.00 0.00 WAT1 ATOM 5613 H1 TIP3 1369 24.739 -19.142 33.172 1.00 0.00 WAT1 ATOM 5614 H2 TIP3 1369 24.923 -17.612 33.058 1.00 0.00 WAT1 ATOM 5615 OH2 TIP3 1370 23.834 -17.526 36.798 1.00 0.00 WAT1 ATOM 5616 H1 TIP3 1370 24.593 -17.982 36.373 1.00 0.00 WAT1 ATOM 5617 H2 TIP3 1370 23.049 -18.050 36.517 1.00 0.00 WAT1 ATOM 5618 OH2 TIP3 1371 23.584 -6.048 26.525 1.00 0.00 WAT1 ATOM 5619 H1 TIP3 1371 24.437 -6.348 26.134 1.00 0.00 WAT1 ATOM 5620 H2 TIP3 1371 23.569 -5.083 26.348 1.00 0.00 WAT1 ATOM 5621 OH2 TIP3 1372 14.595 -8.221 36.031 1.00 0.00 WAT1 ATOM 5622 H1 TIP3 1372 14.533 -9.205 35.993 1.00 0.00 WAT1 ATOM 5623 H2 TIP3 1372 14.587 -8.024 36.974 1.00 0.00 WAT1 ATOM 5624 OH2 TIP3 1373 18.525 -8.656 35.817 1.00 0.00 WAT1 ATOM 5625 H1 TIP3 1373 18.822 -8.659 34.898 1.00 0.00 WAT1 ATOM 5626 H2 TIP3 1373 17.924 -7.874 35.872 1.00 0.00 WAT1 ATOM 5627 OH2 TIP3 1374 20.357 -7.379 37.493 1.00 0.00 WAT1 ATOM 5628 H1 TIP3 1374 19.864 -7.350 38.318 1.00 0.00 WAT1 ATOM 5629 H2 TIP3 1374 19.778 -7.883 36.886 1.00 0.00 WAT1 ATOM 5630 OH2 TIP3 1375 11.319 -8.094 32.287 1.00 0.00 WAT1 ATOM 5631 H1 TIP3 1375 10.743 -7.351 32.553 1.00 0.00 WAT1 ATOM 5632 H2 TIP3 1375 10.697 -8.771 31.954 1.00 0.00 WAT1 ATOM 5633 OH2 TIP3 1376 16.816 -6.553 35.725 1.00 0.00 WAT1 ATOM 5634 H1 TIP3 1376 15.993 -7.076 35.667 1.00 0.00 WAT1 ATOM 5635 H2 TIP3 1376 16.542 -5.655 35.514 1.00 0.00 WAT1 ATOM 5636 OH2 TIP3 1377 21.472 -7.918 34.217 1.00 0.00 WAT1 ATOM 5637 H1 TIP3 1377 21.954 -7.543 34.985 1.00 0.00 WAT1 ATOM 5638 H2 TIP3 1377 21.929 -7.544 33.445 1.00 0.00 WAT1 ATOM 5639 OH2 TIP3 1378 15.873 -8.843 23.825 1.00 0.00 WAT1 ATOM 5640 H1 TIP3 1378 15.174 -9.252 23.274 1.00 0.00 WAT1 ATOM 5641 H2 TIP3 1378 16.104 -9.539 24.469 1.00 0.00 WAT1 ATOM 5642 OH2 TIP3 1379 27.232 -10.466 23.651 1.00 0.00 WAT1 ATOM 5643 H1 TIP3 1379 27.499 -10.648 24.578 1.00 0.00 WAT1 ATOM 5644 H2 TIP3 1379 27.955 -10.821 23.123 1.00 0.00 WAT1 ATOM 5645 OH2 TIP3 1380 23.318 -14.629 39.158 1.00 0.00 WAT1 ATOM 5646 H1 TIP3 1380 22.607 -14.920 38.554 1.00 0.00 WAT1 ATOM 5647 H2 TIP3 1380 22.908 -14.635 40.027 1.00 0.00 WAT1 ATOM 5648 OH2 TIP3 1381 19.607 1.952 20.933 1.00 0.00 WAT1 ATOM 5649 H1 TIP3 1381 19.882 2.695 20.388 1.00 0.00 WAT1 ATOM 5650 H2 TIP3 1381 20.377 1.342 20.917 1.00 0.00 WAT1 ATOM 5651 OH2 TIP3 1382 11.684 3.001 16.626 1.00 0.00 WAT1 ATOM 5652 H1 TIP3 1382 11.981 3.918 16.661 1.00 0.00 WAT1 ATOM 5653 H2 TIP3 1382 11.391 2.879 15.688 1.00 0.00 WAT1 ATOM 5654 OH2 TIP3 1383 11.269 -1.392 17.114 1.00 0.00 WAT1 ATOM 5655 H1 TIP3 1383 10.645 -0.981 16.507 1.00 0.00 WAT1 ATOM 5656 H2 TIP3 1383 11.606 -0.643 17.654 1.00 0.00 WAT1 ATOM 5657 OH2 TIP3 1384 9.108 -2.346 19.794 1.00 0.00 WAT1 ATOM 5658 H1 TIP3 1384 8.996 -1.445 19.403 1.00 0.00 WAT1 ATOM 5659 H2 TIP3 1384 8.610 -2.935 19.178 1.00 0.00 WAT1 ATOM 5660 OH2 TIP3 1385 12.154 0.917 18.349 1.00 0.00 WAT1 ATOM 5661 H1 TIP3 1385 11.988 1.687 17.764 1.00 0.00 WAT1 ATOM 5662 H2 TIP3 1385 13.014 1.096 18.737 1.00 0.00 WAT1 ATOM 5663 OH2 TIP3 1386 14.275 -2.254 21.397 1.00 0.00 WAT1 ATOM 5664 H1 TIP3 1386 14.163 -2.890 20.663 1.00 0.00 WAT1 ATOM 5665 H2 TIP3 1386 15.212 -2.336 21.647 1.00 0.00 WAT1 ATOM 5666 OH2 TIP3 1387 18.741 -4.442 21.434 1.00 0.00 WAT1 ATOM 5667 H1 TIP3 1387 19.555 -4.957 21.609 1.00 0.00 WAT1 ATOM 5668 H2 TIP3 1387 18.141 -5.087 20.991 1.00 0.00 WAT1 ATOM 5669 OH2 TIP3 1388 21.964 -3.305 20.433 1.00 0.00 WAT1 ATOM 5670 H1 TIP3 1388 21.276 -3.069 19.783 1.00 0.00 WAT1 ATOM 5671 H2 TIP3 1388 22.810 -3.017 20.005 1.00 0.00 WAT1 ATOM 5672 OH2 TIP3 1389 16.935 -2.532 22.272 1.00 0.00 WAT1 ATOM 5673 H1 TIP3 1389 17.276 -1.698 21.873 1.00 0.00 WAT1 ATOM 5674 H2 TIP3 1389 17.522 -3.228 21.907 1.00 0.00 WAT1 ATOM 5675 OH2 TIP3 1390 19.404 -2.431 19.613 1.00 0.00 WAT1 ATOM 5676 H1 TIP3 1390 19.230 -3.051 20.351 1.00 0.00 WAT1 ATOM 5677 H2 TIP3 1390 19.062 -2.908 18.823 1.00 0.00 WAT1 ATOM 5678 OH2 TIP3 1391 24.272 -2.240 19.508 1.00 0.00 WAT1 ATOM 5679 H1 TIP3 1391 25.039 -2.223 18.928 1.00 0.00 WAT1 ATOM 5680 H2 TIP3 1391 24.389 -1.454 20.087 1.00 0.00 WAT1 ATOM 5681 OH2 TIP3 1392 17.260 -6.473 23.838 1.00 0.00 WAT1 ATOM 5682 H1 TIP3 1392 18.126 -6.851 23.566 1.00 0.00 WAT1 ATOM 5683 H2 TIP3 1392 16.668 -7.250 23.888 1.00 0.00 WAT1 ATOM 5684 OH2 TIP3 1393 13.748 -4.202 19.514 1.00 0.00 WAT1 ATOM 5685 H1 TIP3 1393 13.318 -4.044 18.641 1.00 0.00 WAT1 ATOM 5686 H2 TIP3 1393 14.188 -5.070 19.409 1.00 0.00 WAT1 ATOM 5687 OH2 TIP3 1394 17.273 -6.287 20.053 1.00 0.00 WAT1 ATOM 5688 H1 TIP3 1394 16.343 -6.335 19.739 1.00 0.00 WAT1 ATOM 5689 H2 TIP3 1394 17.418 -7.155 20.494 1.00 0.00 WAT1 ATOM 5690 OH2 TIP3 1395 10.934 -4.445 20.057 1.00 0.00 WAT1 ATOM 5691 H1 TIP3 1395 11.878 -4.191 19.987 1.00 0.00 WAT1 ATOM 5692 H2 TIP3 1395 10.450 -3.637 19.793 1.00 0.00 WAT1 ATOM 5693 OH2 TIP3 1396 7.485 -3.875 18.340 1.00 0.00 WAT1 ATOM 5694 H1 TIP3 1396 7.439 -4.693 17.806 1.00 0.00 WAT1 ATOM 5695 H2 TIP3 1396 7.176 -3.167 17.725 1.00 0.00 WAT1 ATOM 5696 OH2 TIP3 1397 14.707 -6.780 19.236 1.00 0.00 WAT1 ATOM 5697 H1 TIP3 1397 14.492 -7.190 18.391 1.00 0.00 WAT1 ATOM 5698 H2 TIP3 1397 14.095 -7.214 19.877 1.00 0.00 WAT1 ATOM 5699 OH2 TIP3 1398 21.267 -5.638 21.635 1.00 0.00 WAT1 ATOM 5700 H1 TIP3 1398 21.496 -4.776 21.214 1.00 0.00 WAT1 ATOM 5701 H2 TIP3 1398 22.040 -6.190 21.471 1.00 0.00 WAT1 ATOM 5702 OH2 TIP3 1399 11.954 -0.779 29.251 1.00 0.00 WAT1 ATOM 5703 H1 TIP3 1399 12.181 -0.101 28.575 1.00 0.00 WAT1 ATOM 5704 H2 TIP3 1399 12.521 -0.555 30.018 1.00 0.00 WAT1 ATOM 5705 OH2 TIP3 1400 23.530 -4.678 33.017 1.00 0.00 WAT1 ATOM 5706 H1 TIP3 1400 23.918 -5.535 33.275 1.00 0.00 WAT1 ATOM 5707 H2 TIP3 1400 24.202 -4.018 33.307 1.00 0.00 WAT1 ATOM 5708 OH2 TIP3 1401 19.888 -0.531 27.638 1.00 0.00 WAT1 ATOM 5709 H1 TIP3 1401 19.052 -0.453 28.133 1.00 0.00 WAT1 ATOM 5710 H2 TIP3 1401 20.427 -1.143 28.183 1.00 0.00 WAT1 ATOM 5711 OH2 TIP3 1402 13.365 -1.330 31.609 1.00 0.00 WAT1 ATOM 5712 H1 TIP3 1402 14.181 -1.242 32.133 1.00 0.00 WAT1 ATOM 5713 H2 TIP3 1402 12.701 -1.645 32.254 1.00 0.00 WAT1 ATOM 5714 OH2 TIP3 1403 25.612 -3.105 33.788 1.00 0.00 WAT1 ATOM 5715 H1 TIP3 1403 25.945 -2.388 34.331 1.00 0.00 WAT1 ATOM 5716 H2 TIP3 1403 26.420 -3.481 33.364 1.00 0.00 WAT1 ATOM 5717 OH2 TIP3 1404 9.297 2.415 24.091 1.00 0.00 WAT1 ATOM 5718 H1 TIP3 1404 9.186 1.683 24.723 1.00 0.00 WAT1 ATOM 5719 H2 TIP3 1404 10.078 2.893 24.415 1.00 0.00 WAT1 ATOM 5720 OH2 TIP3 1405 26.114 -10.351 37.375 1.00 0.00 WAT1 ATOM 5721 H1 TIP3 1405 26.457 -10.679 38.211 1.00 0.00 WAT1 ATOM 5722 H2 TIP3 1405 25.915 -11.167 36.860 1.00 0.00 WAT1 ATOM 5723 OH2 TIP3 1406 18.510 1.198 23.443 1.00 0.00 WAT1 ATOM 5724 H1 TIP3 1406 18.939 1.809 22.816 1.00 0.00 WAT1 ATOM 5725 H2 TIP3 1406 18.232 0.449 22.886 1.00 0.00 WAT1 ATOM 5726 OH2 TIP3 1407 21.397 -0.095 20.861 1.00 0.00 WAT1 ATOM 5727 H1 TIP3 1407 21.430 -0.611 21.699 1.00 0.00 WAT1 ATOM 5728 H2 TIP3 1407 21.013 -0.712 20.219 1.00 0.00 WAT1 ATOM 5729 OH2 TIP3 1408 12.453 0.885 27.072 1.00 0.00 WAT1 ATOM 5730 H1 TIP3 1408 12.058 0.731 26.189 1.00 0.00 WAT1 ATOM 5731 H2 TIP3 1408 13.396 1.000 26.893 1.00 0.00 WAT1 ATOM 5732 OH2 TIP3 1409 17.636 -0.851 29.184 1.00 0.00 WAT1 ATOM 5733 H1 TIP3 1409 17.451 -0.273 29.935 1.00 0.00 WAT1 ATOM 5734 H2 TIP3 1409 17.802 -1.726 29.592 1.00 0.00 WAT1 ATOM 5735 OH2 TIP3 1410 20.517 0.171 25.115 1.00 0.00 WAT1 ATOM 5736 H1 TIP3 1410 19.804 0.638 24.633 1.00 0.00 WAT1 ATOM 5737 H2 TIP3 1410 20.168 0.081 26.035 1.00 0.00 WAT1 ATOM 5738 OH2 TIP3 1411 13.557 2.373 24.275 1.00 0.00 WAT1 ATOM 5739 H1 TIP3 1411 14.445 2.040 24.565 1.00 0.00 WAT1 ATOM 5740 H2 TIP3 1411 13.721 2.734 23.393 1.00 0.00 WAT1 ATOM 5741 OH2 TIP3 1412 24.809 -7.129 33.405 1.00 0.00 WAT1 ATOM 5742 H1 TIP3 1412 24.783 -7.666 34.230 1.00 0.00 WAT1 ATOM 5743 H2 TIP3 1412 25.749 -7.089 33.181 1.00 0.00 WAT1 ATOM 5744 OH2 TIP3 1413 17.747 -1.432 32.515 1.00 0.00 WAT1 ATOM 5745 H1 TIP3 1413 18.274 -0.887 33.107 1.00 0.00 WAT1 ATOM 5746 H2 TIP3 1413 16.861 -1.467 32.943 1.00 0.00 WAT1 ATOM 5747 OH2 TIP3 1414 22.934 -0.897 25.750 1.00 0.00 WAT1 ATOM 5748 H1 TIP3 1414 22.144 -0.397 25.441 1.00 0.00 WAT1 ATOM 5749 H2 TIP3 1414 23.400 -0.272 26.317 1.00 0.00 WAT1 ATOM 5750 OH2 TIP3 1415 22.108 -2.767 31.661 1.00 0.00 WAT1 ATOM 5751 H1 TIP3 1415 22.533 -3.542 32.087 1.00 0.00 WAT1 ATOM 5752 H2 TIP3 1415 22.349 -2.028 32.224 1.00 0.00 WAT1 ATOM 5753 OH2 TIP3 1416 15.349 -1.515 33.799 1.00 0.00 WAT1 ATOM 5754 H1 TIP3 1416 14.822 -2.349 33.735 1.00 0.00 WAT1 ATOM 5755 H2 TIP3 1416 15.149 -1.178 34.679 1.00 0.00 WAT1 ATOM 5756 OH2 TIP3 1417 16.598 -0.766 26.507 1.00 0.00 WAT1 ATOM 5757 H1 TIP3 1417 15.928 -1.344 26.933 1.00 0.00 WAT1 ATOM 5758 H2 TIP3 1417 17.162 -0.480 27.248 1.00 0.00 WAT1 ATOM 5759 OH2 TIP3 1418 27.930 -4.010 32.702 1.00 0.00 WAT1 ATOM 5760 H1 TIP3 1418 27.932 -4.420 31.808 1.00 0.00 WAT1 ATOM 5761 H2 TIP3 1418 28.849 -4.045 32.979 1.00 0.00 WAT1 ATOM 5762 OH2 TIP3 1419 16.562 -3.074 24.916 1.00 0.00 WAT1 ATOM 5763 H1 TIP3 1419 16.651 -2.230 25.402 1.00 0.00 WAT1 ATOM 5764 H2 TIP3 1419 16.654 -2.816 23.972 1.00 0.00 WAT1 ATOM 5765 OH2 TIP3 1420 20.726 -2.471 29.357 1.00 0.00 WAT1 ATOM 5766 H1 TIP3 1420 21.387 -2.545 30.085 1.00 0.00 WAT1 ATOM 5767 H2 TIP3 1420 19.885 -2.729 29.775 1.00 0.00 WAT1 ATOM 5768 OH2 TIP3 1421 18.288 -3.173 30.550 1.00 0.00 WAT1 ATOM 5769 H1 TIP3 1421 18.157 -2.613 31.357 1.00 0.00 WAT1 ATOM 5770 H2 TIP3 1421 18.370 -4.089 30.905 1.00 0.00 WAT1 ATOM 5771 OH2 TIP3 1422 21.946 -1.920 22.837 1.00 0.00 WAT1 ATOM 5772 H1 TIP3 1422 22.035 -2.527 22.073 1.00 0.00 WAT1 ATOM 5773 H2 TIP3 1422 22.845 -1.835 23.179 1.00 0.00 WAT1 ATOM 5774 OH2 TIP3 1423 24.181 -0.004 21.080 1.00 0.00 WAT1 ATOM 5775 H1 TIP3 1423 23.230 0.136 20.907 1.00 0.00 WAT1 ATOM 5776 H2 TIP3 1423 24.457 0.791 21.544 1.00 0.00 WAT1 ATOM 5777 OH2 TIP3 1424 11.390 3.342 25.812 1.00 0.00 WAT1 ATOM 5778 H1 TIP3 1424 12.186 3.165 25.268 1.00 0.00 WAT1 ATOM 5779 H2 TIP3 1424 11.520 2.792 26.603 1.00 0.00 WAT1 ATOM 5780 OH2 TIP3 1425 10.113 -2.128 22.270 1.00 0.00 WAT1 ATOM 5781 H1 TIP3 1425 10.392 -1.189 22.292 1.00 0.00 WAT1 ATOM 5782 H2 TIP3 1425 9.889 -2.285 21.327 1.00 0.00 WAT1 ATOM 5783 OH2 TIP3 1426 13.663 -3.576 33.605 1.00 0.00 WAT1 ATOM 5784 H1 TIP3 1426 12.729 -3.312 33.484 1.00 0.00 WAT1 ATOM 5785 H2 TIP3 1426 13.612 -4.506 33.923 1.00 0.00 WAT1 ATOM 5786 OH2 TIP3 1427 11.653 0.412 24.440 1.00 0.00 WAT1 ATOM 5787 H1 TIP3 1427 11.169 0.391 23.586 1.00 0.00 WAT1 ATOM 5788 H2 TIP3 1427 12.377 1.055 24.282 1.00 0.00 WAT1 ATOM 5789 OH2 TIP3 1428 26.948 -7.196 28.678 1.00 0.00 WAT1 ATOM 5790 H1 TIP3 1428 26.022 -7.101 28.411 1.00 0.00 WAT1 ATOM 5791 H2 TIP3 1428 26.982 -8.080 29.119 1.00 0.00 WAT1 ATOM 5792 OH2 TIP3 1429 23.858 -3.444 25.792 1.00 0.00 WAT1 ATOM 5793 H1 TIP3 1429 23.472 -2.540 25.800 1.00 0.00 WAT1 ATOM 5794 H2 TIP3 1429 24.801 -3.297 25.674 1.00 0.00 WAT1 ATOM 5795 OH2 TIP3 1430 9.626 5.310 21.514 1.00 0.00 WAT1 ATOM 5796 H1 TIP3 1430 9.912 5.280 22.448 1.00 0.00 WAT1 ATOM 5797 H2 TIP3 1430 8.968 6.032 21.490 1.00 0.00 WAT1 ATOM 5798 OH2 TIP3 1431 16.020 1.390 24.831 1.00 0.00 WAT1 ATOM 5799 H1 TIP3 1431 16.196 0.630 25.423 1.00 0.00 WAT1 ATOM 5800 H2 TIP3 1431 16.869 1.529 24.367 1.00 0.00 WAT1 ATOM 5801 OH2 TIP3 1432 18.202 -0.425 21.110 1.00 0.00 WAT1 ATOM 5802 H1 TIP3 1432 18.612 -1.006 20.436 1.00 0.00 WAT1 ATOM 5803 H2 TIP3 1432 18.513 0.472 20.874 1.00 0.00 WAT1 ATOM 5804 OH2 TIP3 1433 13.494 -6.103 34.635 1.00 0.00 WAT1 ATOM 5805 H1 TIP3 1433 12.831 -5.859 35.319 1.00 0.00 WAT1 ATOM 5806 H2 TIP3 1433 13.874 -6.942 34.961 1.00 0.00 WAT1 ATOM 5807 OH2 TIP3 1434 22.611 -7.179 31.769 1.00 0.00 WAT1 ATOM 5808 H1 TIP3 1434 22.558 -6.225 31.591 1.00 0.00 WAT1 ATOM 5809 H2 TIP3 1434 23.479 -7.289 32.220 1.00 0.00 WAT1 ATOM 5810 OH2 TIP3 1435 10.661 0.544 21.777 1.00 0.00 WAT1 ATOM 5811 H1 TIP3 1435 11.186 0.355 20.988 1.00 0.00 WAT1 ATOM 5812 H2 TIP3 1435 10.142 1.347 21.530 1.00 0.00 WAT1 ATOM 5813 OH2 TIP3 1436 7.260 0.029 28.072 1.00 0.00 WAT1 ATOM 5814 H1 TIP3 1436 7.919 -0.376 28.686 1.00 0.00 WAT1 ATOM 5815 H2 TIP3 1436 7.800 0.565 27.467 1.00 0.00 WAT1 ATOM 5816 OH2 TIP3 1437 8.981 -3.676 34.256 1.00 0.00 WAT1 ATOM 5817 H1 TIP3 1437 8.109 -3.251 34.253 1.00 0.00 WAT1 ATOM 5818 H2 TIP3 1437 9.051 -4.070 35.153 1.00 0.00 WAT1 ATOM 5819 OH2 TIP3 1438 9.494 -6.199 33.214 1.00 0.00 WAT1 ATOM 5820 H1 TIP3 1438 9.696 -6.547 34.111 1.00 0.00 WAT1 ATOM 5821 H2 TIP3 1438 9.278 -5.256 33.369 1.00 0.00 WAT1 ATOM 5822 OH2 TIP3 1439 24.781 -8.612 35.710 1.00 0.00 WAT1 ATOM 5823 H1 TIP3 1439 24.045 -8.094 36.104 1.00 0.00 WAT1 ATOM 5824 H2 TIP3 1439 25.146 -9.126 36.467 1.00 0.00 WAT1 ATOM 5825 OH2 TIP3 1440 24.948 -10.404 26.594 1.00 0.00 WAT1 ATOM 5826 H1 TIP3 1440 24.889 -10.152 25.653 1.00 0.00 WAT1 ATOM 5827 H2 TIP3 1440 24.187 -9.970 27.001 1.00 0.00 WAT1 ATOM 5828 OH2 TIP3 1441 27.948 -5.070 30.159 1.00 0.00 WAT1 ATOM 5829 H1 TIP3 1441 27.692 -5.888 29.686 1.00 0.00 WAT1 ATOM 5830 H2 TIP3 1441 27.645 -4.362 29.585 1.00 0.00 WAT1 ATOM 5831 OH2 TIP3 1442 19.729 -7.308 23.201 1.00 0.00 WAT1 ATOM 5832 H1 TIP3 1442 19.939 -8.223 22.916 1.00 0.00 WAT1 ATOM 5833 H2 TIP3 1442 20.324 -6.746 22.663 1.00 0.00 WAT1 ATOM 5834 OH2 TIP3 1443 11.750 -5.308 36.567 1.00 0.00 WAT1 ATOM 5835 H1 TIP3 1443 12.078 -4.800 37.316 1.00 0.00 WAT1 ATOM 5836 H2 TIP3 1443 10.777 -5.171 36.591 1.00 0.00 WAT1 ATOM 5837 OH2 TIP3 1444 30.932 -18.848 33.019 1.00 0.00 WAT1 ATOM 5838 H1 TIP3 1444 30.983 -18.252 33.804 1.00 0.00 WAT1 ATOM 5839 H2 TIP3 1444 31.792 -19.279 32.994 1.00 0.00 WAT1 ATOM 5840 OH2 TIP3 1445 29.457 -15.580 33.209 1.00 0.00 WAT1 ATOM 5841 H1 TIP3 1445 30.104 -16.013 33.798 1.00 0.00 WAT1 ATOM 5842 H2 TIP3 1445 29.430 -16.157 32.416 1.00 0.00 WAT1 ATOM 5843 OH2 TIP3 1446 29.864 -17.845 28.610 1.00 0.00 WAT1 ATOM 5844 H1 TIP3 1446 29.299 -17.086 28.309 1.00 0.00 WAT1 ATOM 5845 H2 TIP3 1446 30.633 -17.805 28.032 1.00 0.00 WAT1 ATOM 5846 OH2 TIP3 1447 26.496 -16.653 33.480 1.00 0.00 WAT1 ATOM 5847 H1 TIP3 1447 27.188 -16.575 32.806 1.00 0.00 WAT1 ATOM 5848 H2 TIP3 1447 26.653 -15.890 34.071 1.00 0.00 WAT1 ATOM 5849 OH2 TIP3 1448 28.382 -20.211 28.995 1.00 0.00 WAT1 ATOM 5850 H1 TIP3 1448 28.882 -20.648 29.689 1.00 0.00 WAT1 ATOM 5851 H2 TIP3 1448 28.902 -19.407 28.791 1.00 0.00 WAT1 ATOM 5852 OH2 TIP3 1449 24.782 -13.591 27.033 1.00 0.00 WAT1 ATOM 5853 H1 TIP3 1449 25.553 -13.020 27.130 1.00 0.00 WAT1 ATOM 5854 H2 TIP3 1449 25.153 -14.502 27.060 1.00 0.00 WAT1 ATOM 5855 OH2 TIP3 1450 28.691 -17.298 36.433 1.00 0.00 WAT1 ATOM 5856 H1 TIP3 1450 27.870 -17.808 36.280 1.00 0.00 WAT1 ATOM 5857 H2 TIP3 1450 28.921 -17.495 37.374 1.00 0.00 WAT1 ATOM 5858 OH2 TIP3 1451 29.241 -11.619 29.894 1.00 0.00 WAT1 ATOM 5859 H1 TIP3 1451 30.145 -11.621 30.223 1.00 0.00 WAT1 ATOM 5860 H2 TIP3 1451 28.692 -11.509 30.700 1.00 0.00 WAT1 ATOM 5861 OH2 TIP3 1452 31.020 -17.029 35.052 1.00 0.00 WAT1 ATOM 5862 H1 TIP3 1452 30.194 -17.160 35.578 1.00 0.00 WAT1 ATOM 5863 H2 TIP3 1452 31.639 -16.634 35.679 1.00 0.00 WAT1 ATOM 5864 OH2 TIP3 1453 29.346 -17.466 31.264 1.00 0.00 WAT1 ATOM 5865 H1 TIP3 1453 29.513 -17.550 30.298 1.00 0.00 WAT1 ATOM 5866 H2 TIP3 1453 30.064 -17.988 31.679 1.00 0.00 WAT1 ATOM 5867 OH2 TIP3 1454 29.083 -17.919 39.059 1.00 0.00 WAT1 ATOM 5868 H1 TIP3 1454 28.113 -17.853 39.225 1.00 0.00 WAT1 ATOM 5869 H2 TIP3 1454 29.451 -18.179 39.907 1.00 0.00 WAT1 ATOM 5870 OH2 TIP3 1455 26.684 -9.776 34.200 1.00 0.00 WAT1 ATOM 5871 H1 TIP3 1455 25.938 -9.369 34.692 1.00 0.00 WAT1 ATOM 5872 H2 TIP3 1455 27.350 -9.940 34.879 1.00 0.00 WAT1 ATOM 5873 OH2 TIP3 1456 28.411 -12.981 27.653 1.00 0.00 WAT1 ATOM 5874 H1 TIP3 1456 28.776 -12.579 28.469 1.00 0.00 WAT1 ATOM 5875 H2 TIP3 1456 28.228 -12.215 27.073 1.00 0.00 WAT1 ATOM 5876 OH2 TIP3 1457 25.848 -7.114 25.476 1.00 0.00 WAT1 ATOM 5877 H1 TIP3 1457 25.566 -7.797 24.840 1.00 0.00 WAT1 ATOM 5878 H2 TIP3 1457 26.755 -7.375 25.718 1.00 0.00 WAT1 ATOM 5879 OH2 TIP3 1458 28.328 -8.020 26.495 1.00 0.00 WAT1 ATOM 5880 H1 TIP3 1458 27.977 -7.629 27.327 1.00 0.00 WAT1 ATOM 5881 H2 TIP3 1458 29.193 -7.608 26.385 1.00 0.00 WAT1 ATOM 5882 OH2 TIP3 1459 28.299 -19.608 32.672 1.00 0.00 WAT1 ATOM 5883 H1 TIP3 1459 28.247 -18.861 32.050 1.00 0.00 WAT1 ATOM 5884 H2 TIP3 1459 29.224 -19.589 32.986 1.00 0.00 WAT1 ATOM 5885 OH2 TIP3 1460 27.515 -11.136 32.012 1.00 0.00 WAT1 ATOM 5886 H1 TIP3 1460 27.660 -12.000 32.469 1.00 0.00 WAT1 ATOM 5887 H2 TIP3 1460 27.195 -10.542 32.730 1.00 0.00 WAT1 END