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: -1730.8, 81.2592, 92.1998, 48.356, 428.416, -261.347, -2120.31, 0.630139, 0 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 7.306829E-03,0.468836,1.29789,42.195,2.481272E-03,0 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 17, 0 REMARK =============================================================== REMARK DATE:10-Jun-2010 13:38:55 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 -1.346 -23.859 18.043 1.00 13.42 ATOM 2 CB MET 1 -2.841 -25.384 17.794 1.00 21.31 ATOM 3 HB1 MET 1 -3.814 -25.612 18.211 1.00 36.88 ATOM 4 HB2 MET 1 -2.196 -26.240 17.925 1.00 74.24 ATOM 5 CG MET 1 -3.005 -25.144 16.300 1.00 32.05 ATOM 6 HG1 MET 1 -3.668 -24.304 16.152 1.00 36.88 ATOM 7 HG2 MET 1 -3.436 -26.027 15.850 1.00 11.25 ATOM 8 SD MET 1 -1.434 -24.792 15.488 1.00 32.43 ATOM 9 CE MET 1 -1.955 -24.656 13.779 1.00 12.33 ATOM 10 HE1 MET 1 -2.663 -23.848 13.681 1.00 52.42 ATOM 11 HE2 MET 1 -2.418 -25.581 13.470 1.00 30.44 ATOM 12 HE3 MET 1 -1.094 -24.457 13.158 1.00 52.34 ATOM 13 C MET 1 -3.241 -23.026 18.612 1.00 34.33 ATOM 14 O MET 1 -4.278 -23.123 19.273 1.00 65.32 ATOM 15 N MET 1 -1.852 -24.615 19.926 1.00 44.53 ATOM 16 HT1 MET 1 -2.695 -24.870 20.477 1.00 36.88 ATOM 17 HT2 MET 1 -1.351 -23.845 20.415 1.00 36.88 ATOM 18 HT3 MET 1 -1.225 -25.442 19.879 1.00 36.88 ATOM 19 CA MET 1 -2.239 -24.192 18.555 1.00 51.33 ATOM 20 N GLY 2 -2.930 -21.928 17.923 1.00 54.15 ATOM 21 HN GLY 2 -2.108 -21.917 17.383 1.00 36.88 ATOM 22 CA GLY 2 -3.783 -20.741 17.963 1.00 45.11 ATOM 23 HA1 GLY 2 -3.171 -19.873 17.761 1.00 36.88 ATOM 24 HA2 GLY 2 -4.198 -20.644 18.957 1.00 52.35 ATOM 25 C GLY 2 -4.930 -20.773 16.953 1.00 64.11 ATOM 26 O GLY 2 -4.709 -20.664 15.745 1.00 11.54 ATOM 27 N HIS 3 -6.157 -20.911 17.458 1.00 65.23 ATOM 28 HN HIS 3 -6.254 -20.996 18.431 1.00 36.88 ATOM 29 CA HIS 3 -7.366 -20.939 16.620 1.00 31.24 ATOM 30 HA HIS 3 -7.063 -20.780 15.595 1.00 4.44 ATOM 31 CB HIS 3 -8.051 -22.312 16.724 1.00 15.41 ATOM 32 HB1 HIS 3 -7.452 -23.044 16.201 1.00 36.88 ATOM 33 HB2 HIS 3 -9.025 -22.259 16.261 1.00 65.31 ATOM 34 CG HIS 3 -8.239 -22.792 18.134 1.00 25.12 ATOM 35 ND1 HIS 3 -9.237 -22.328 18.961 1.00 23.41 ATOM 36 HD1 HIS 3 -9.908 -21.651 18.724 1.00 42.31 ATOM 37 CD2 HIS 3 -7.547 -23.701 18.863 1.00 5.25 ATOM 38 HD2 HIS 3 -6.692 -24.274 18.533 1.00 31.31 ATOM 39 CE1 HIS 3 -9.150 -22.920 20.133 1.00 13.34 ATOM 40 HE1 HIS 3 -9.802 -22.750 20.977 1.00 22.52 ATOM 41 NE2 HIS 3 -8.135 -23.758 20.101 1.00 71.32 ATOM 42 HE2 HIS 3 -7.957 -24.445 20.780 1.00 36.88 ATOM 43 C HIS 3 -8.344 -19.818 17.020 1.00 62.44 ATOM 44 O HIS 3 -8.851 -19.795 18.142 1.00 4.12 ATOM 45 N HIS 4 -8.600 -18.893 16.089 1.00 52.31 ATOM 46 HN HIS 4 -8.209 -19.011 15.193 1.00 36.88 ATOM 47 CA HIS 4 -9.454 -17.713 16.336 1.00 30.41 ATOM 48 HA HIS 4 -9.539 -17.188 15.395 1.00 23.33 ATOM 49 CB HIS 4 -10.865 -18.126 16.786 1.00 11.32 ATOM 50 HB1 HIS 4 -11.396 -17.253 17.141 1.00 36.88 ATOM 51 HB2 HIS 4 -10.783 -18.840 17.592 1.00 53.11 ATOM 52 CG HIS 4 -11.683 -18.752 15.702 1.00 44.23 ATOM 53 ND1 HIS 4 -12.533 -18.032 14.891 1.00 45.51 ATOM 54 HD1 HIS 4 -12.683 -17.063 14.933 1.00 41.34 ATOM 55 CD2 HIS 4 -11.789 -20.038 15.303 1.00 44.54 ATOM 56 HD2 HIS 4 -11.262 -20.884 15.724 1.00 21.41 ATOM 57 CE1 HIS 4 -13.125 -18.849 14.044 1.00 34.23 ATOM 58 HE1 HIS 4 -13.844 -18.564 13.290 1.00 44.12 ATOM 59 NE2 HIS 4 -12.693 -20.072 14.271 1.00 1.10 ATOM 60 HE2 HIS 4 -13.142 -20.883 13.951 1.00 36.88 ATOM 61 C HIS 4 -8.846 -16.738 17.362 1.00 22.43 ATOM 62 O HIS 4 -9.457 -15.720 17.691 1.00 63.42 ATOM 63 N HIS 5 -7.643 -17.033 17.851 1.00 63.43 ATOM 64 HN HIS 5 -7.191 -17.843 17.544 1.00 36.88 ATOM 65 CA HIS 5 -6.983 -16.170 18.834 1.00 34.45 ATOM 66 HA HIS 5 -7.753 -15.751 19.470 1.00 42.31 ATOM 67 CB HIS 5 -6.019 -16.986 19.703 1.00 63.54 ATOM 68 HB1 HIS 5 -5.252 -17.417 19.076 1.00 36.88 ATOM 69 HB2 HIS 5 -6.565 -17.780 20.194 1.00 34.32 ATOM 70 CG HIS 5 -5.347 -16.167 20.761 1.00 70.45 ATOM 71 ND1 HIS 5 -4.036 -15.755 20.675 1.00 72.35 ATOM 72 HD1 HIS 5 -3.413 -15.971 19.947 1.00 14.54 ATOM 73 CD2 HIS 5 -5.822 -15.658 21.922 1.00 54.13 ATOM 74 HD2 HIS 5 -6.821 -15.784 22.318 1.00 52.21 ATOM 75 CE1 HIS 5 -3.733 -15.035 21.734 1.00 73.34 ATOM 76 HE1 HIS 5 -2.773 -14.582 21.934 1.00 22.43 ATOM 77 NE2 HIS 5 -4.798 -14.958 22.506 1.00 60.13 ATOM 78 HE2 HIS 5 -4.905 -14.322 23.245 1.00 36.88 ATOM 79 C HIS 5 -6.232 -15.015 18.148 1.00 2.15 ATOM 80 O HIS 5 -5.255 -15.234 17.430 1.00 34.53 ATOM 81 N HIS 6 -6.689 -13.787 18.386 1.00 14.00 ATOM 82 HN HIS 6 -7.456 -13.675 18.989 1.00 36.88 ATOM 83 CA HIS 6 -6.083 -12.593 17.783 1.00 22.52 ATOM 84 HA HIS 6 -5.021 -12.767 17.697 1.00 43.11 ATOM 85 CB HIS 6 -6.661 -12.358 16.379 1.00 3.34 ATOM 86 HB1 HIS 6 -6.386 -13.187 15.743 1.00 36.88 ATOM 87 HB2 HIS 6 -6.243 -11.448 15.973 1.00 22.22 ATOM 88 CG HIS 6 -8.156 -12.229 16.351 1.00 44.11 ATOM 89 ND1 HIS 6 -8.997 -13.290 16.101 1.00 23.01 ATOM 90 HD1 HIS 6 -8.717 -14.214 15.921 1.00 24.02 ATOM 91 CD2 HIS 6 -8.961 -11.154 16.538 1.00 30.31 ATOM 92 HD2 HIS 6 -8.643 -10.145 16.758 1.00 12.45 ATOM 93 CE1 HIS 6 -10.248 -12.878 16.134 1.00 63.51 ATOM 94 HE1 HIS 6 -11.121 -13.495 15.975 1.00 73.41 ATOM 95 NE2 HIS 6 -10.255 -11.589 16.399 1.00 34.02 ATOM 96 HE2 HIS 6 -11.044 -11.007 16.331 1.00 36.88 ATOM 97 C HIS 6 -6.302 -11.349 18.660 1.00 20.20 ATOM 98 O HIS 6 -7.114 -11.361 19.588 1.00 30.13 ATOM 99 N HIS 7 -5.591 -10.267 18.348 1.00 64.13 ATOM 100 HN HIS 7 -4.991 -10.298 17.573 1.00 36.88 ATOM 101 CA HIS 7 -5.705 -9.023 19.118 1.00 33.14 ATOM 102 HA HIS 7 -5.727 -9.294 20.165 1.00 3.35 ATOM 103 CB HIS 7 -4.488 -8.123 18.874 1.00 21.51 ATOM 104 HB1 HIS 7 -4.712 -7.119 19.209 1.00 36.88 ATOM 105 HB2 HIS 7 -4.268 -8.104 17.818 1.00 70.24 ATOM 106 CG HIS 7 -3.259 -8.586 19.593 1.00 44.30 ATOM 107 ND1 HIS 7 -2.894 -8.115 20.836 1.00 45.43 ATOM 108 HD1 HIS 7 -3.389 -7.455 21.367 1.00 44.04 ATOM 109 CD2 HIS 7 -2.305 -9.479 19.238 1.00 52.44 ATOM 110 HD2 HIS 7 -2.269 -10.048 18.320 1.00 43.25 ATOM 111 CE1 HIS 7 -1.774 -8.697 21.214 1.00 34.35 ATOM 112 HE1 HIS 7 -1.254 -8.523 22.144 1.00 24.02 ATOM 113 NE2 HIS 7 -1.396 -9.528 20.266 1.00 32.35 ATOM 114 HE2 HIS 7 -0.520 -9.962 20.222 1.00 36.88 ATOM 115 C HIS 7 -6.999 -8.264 18.792 1.00 64.42 ATOM 116 O HIS 7 -7.368 -8.109 17.628 1.00 24.15 ATOM 117 N HIS 8 -7.675 -7.787 19.834 1.00 35.40 ATOM 118 HN HIS 8 -7.313 -7.930 20.738 1.00 36.88 ATOM 119 CA HIS 8 -8.938 -7.056 19.682 1.00 54.22 ATOM 120 HA HIS 8 -8.974 -6.661 18.676 1.00 3.43 ATOM 121 CB HIS 8 -10.118 -8.016 19.880 1.00 44.15 ATOM 122 HB1 HIS 8 -10.145 -8.717 19.058 1.00 36.88 ATOM 123 HB2 HIS 8 -11.037 -7.450 19.889 1.00 62.02 ATOM 124 CG HIS 8 -10.051 -8.804 21.155 1.00 62.51 ATOM 125 ND1 HIS 8 -9.364 -9.996 21.271 1.00 65.52 ATOM 126 HD1 HIS 8 -8.866 -10.447 20.553 1.00 30.25 ATOM 127 CD2 HIS 8 -10.587 -8.565 22.377 1.00 53.54 ATOM 128 HD2 HIS 8 -11.187 -7.714 22.659 1.00 71.00 ATOM 129 CE1 HIS 8 -9.481 -10.451 22.502 1.00 32.25 ATOM 130 HE1 HIS 8 -9.043 -11.363 22.883 1.00 52.54 ATOM 131 NE2 HIS 8 -10.216 -9.605 23.191 1.00 14.45 ATOM 132 HE2 HIS 8 -10.368 -9.653 24.159 1.00 36.88 ATOM 133 C HIS 8 -9.025 -5.882 20.673 1.00 63.42 ATOM 134 O HIS 8 -8.724 -6.037 21.859 1.00 3.25 ATOM 135 N SER 9 -9.445 -4.714 20.185 1.00 71.55 ATOM 136 HN SER 9 -9.706 -4.660 19.238 1.00 36.88 ATOM 137 CA SER 9 -9.517 -3.501 21.020 1.00 15.03 ATOM 138 HA SER 9 -9.737 -3.808 22.034 1.00 22.12 ATOM 139 CB SER 9 -8.166 -2.769 21.011 1.00 64.35 ATOM 140 HB1 SER 9 -8.237 -1.876 21.619 1.00 36.88 ATOM 141 HB2 SER 9 -7.915 -2.491 19.998 1.00 41.34 ATOM 142 OG SER 9 -7.127 -3.590 21.528 1.00 44.35 ATOM 143 HG SER 9 -6.979 -3.372 22.458 1.00 53.31 ATOM 144 C SER 9 -10.626 -2.542 20.555 1.00 22.12 ATOM 145 O SER 9 -11.325 -2.807 19.576 1.00 53.53 ATOM 146 N HIS 10 -10.786 -1.429 21.279 1.00 70.10 ATOM 147 HN HIS 10 -10.221 -1.294 22.070 1.00 36.88 ATOM 148 CA HIS 10 -11.779 -0.396 20.935 1.00 22.31 ATOM 149 HA HIS 10 -12.285 -0.705 20.032 1.00 4.32 ATOM 150 CB HIS 10 -12.813 -0.246 22.060 1.00 71.51 ATOM 151 HB1 HIS 10 -13.506 0.544 21.800 1.00 36.88 ATOM 152 HB2 HIS 10 -12.302 0.023 22.972 1.00 21.32 ATOM 153 CG HIS 10 -13.610 -1.485 22.330 1.00 43.33 ATOM 154 ND1 HIS 10 -13.317 -2.364 23.349 1.00 4.41 ATOM 155 HD1 HIS 10 -12.582 -2.273 23.994 1.00 25.40 ATOM 156 CD2 HIS 10 -14.703 -1.988 21.709 1.00 43.55 ATOM 157 HD2 HIS 10 -15.212 -1.558 20.859 1.00 65.51 ATOM 158 CE1 HIS 10 -14.190 -3.349 23.344 1.00 11.11 ATOM 159 HE1 HIS 10 -14.200 -4.186 24.026 1.00 65.32 ATOM 160 NE2 HIS 10 -15.042 -3.146 22.363 1.00 1.24 ATOM 161 HE2 HIS 10 -15.882 -3.640 22.241 1.00 36.88 ATOM 162 C HIS 10 -11.108 0.966 20.683 1.00 5.12 ATOM 163 O HIS 10 -10.318 1.439 21.503 1.00 2.42 ATOM 164 N MET 11 -11.440 1.596 19.556 1.00 44.22 ATOM 165 HN MET 11 -12.065 1.160 18.935 1.00 36.88 ATOM 166 CA MET 11 -10.902 2.923 19.214 1.00 32.11 ATOM 167 HA MET 11 -10.784 3.473 20.138 1.00 12.04 ATOM 168 CB MET 11 -9.522 2.779 18.543 1.00 51.55 ATOM 169 HB1 MET 11 -8.833 2.346 19.255 1.00 36.88 ATOM 170 HB2 MET 11 -9.166 3.761 18.267 1.00 55.32 ATOM 171 CG MET 11 -9.521 1.908 17.291 1.00 50.01 ATOM 172 HG1 MET 11 -10.010 0.970 17.519 1.00 36.88 ATOM 173 HG2 MET 11 -8.498 1.714 17.003 1.00 23.25 ATOM 174 SD MET 11 -10.372 2.680 15.901 1.00 44.03 ATOM 175 CE MET 11 -10.268 1.380 14.671 1.00 45.11 ATOM 176 HE1 MET 11 -10.764 1.700 13.766 1.00 0.44 ATOM 177 HE2 MET 11 -10.747 0.487 15.047 1.00 24.12 ATOM 178 HE3 MET 11 -9.231 1.170 14.457 1.00 11.32 ATOM 179 C MET 11 -11.878 3.703 18.311 1.00 23.11 ATOM 180 O MET 11 -12.828 3.129 17.771 1.00 4.53 ATOM 181 N ALA 12 -11.650 5.009 18.157 1.00 54.21 ATOM 182 HN ALA 12 -10.875 5.412 18.598 1.00 36.88 ATOM 183 CA ALA 12 -12.539 5.857 17.349 1.00 12.10 ATOM 184 HA ALA 12 -12.864 5.276 16.495 1.00 23.33 ATOM 185 CB ALA 12 -13.777 6.231 18.157 1.00 4.14 ATOM 186 HB1 ALA 12 -14.478 6.757 17.524 1.00 71.45 ATOM 187 HB2 ALA 12 -13.493 6.867 18.984 1.00 22.31 ATOM 188 HB3 ALA 12 -14.243 5.333 18.541 1.00 63.33 ATOM 189 C ALA 12 -11.835 7.126 16.841 1.00 52.45 ATOM 190 O ALA 12 -10.845 7.578 17.421 1.00 31.14 ATOM 191 N LYS 13 -12.361 7.698 15.759 1.00 42.53 ATOM 192 HN LYS 13 -13.142 7.279 15.334 1.00 36.88 ATOM 193 CA LYS 13 -11.824 8.938 15.184 1.00 62.42 ATOM 194 HA LYS 13 -10.772 8.987 15.425 1.00 2.14 ATOM 195 CB LYS 13 -11.987 8.928 13.656 1.00 14.30 ATOM 196 HB1 LYS 13 -11.809 9.927 13.280 1.00 36.88 ATOM 197 HB2 LYS 13 -13.003 8.645 13.421 1.00 42.33 ATOM 198 CG LYS 13 -11.048 7.972 12.927 1.00 3.53 ATOM 199 HG1 LYS 13 -11.176 6.977 13.330 1.00 36.88 ATOM 200 HG2 LYS 13 -10.029 8.296 13.083 1.00 55.00 ATOM 201 CD LYS 13 -11.336 7.940 11.426 1.00 3.22 ATOM 202 HD1 LYS 13 -12.317 7.511 11.269 1.00 36.88 ATOM 203 HD2 LYS 13 -10.595 7.321 10.941 1.00 62.44 ATOM 204 CE LYS 13 -11.300 9.334 10.802 1.00 1.12 ATOM 205 HE1 LYS 13 -12.028 9.962 11.299 1.00 36.88 ATOM 206 HE2 LYS 13 -11.557 9.253 9.757 1.00 53.50 ATOM 207 NZ LYS 13 -9.958 9.967 10.920 1.00 2.12 ATOM 208 HZ1 LYS 13 -9.252 9.407 10.403 1.00 11.02 ATOM 209 HZ2 LYS 13 -9.670 10.026 11.916 1.00 63.44 ATOM 210 HZ3 LYS 13 -9.978 10.928 10.522 1.00 51.25 ATOM 211 C LYS 13 -12.526 10.180 15.764 1.00 65.44 ATOM 212 O LYS 13 -13.732 10.157 16.016 1.00 51.44 ATOM 213 N PRO 14 -11.775 11.282 15.984 1.00 41.22 ATOM 214 CA PRO 14 -12.355 12.562 16.436 1.00 22.34 ATOM 215 HA PRO 14 -12.990 12.422 17.300 1.00 2.54 ATOM 216 CB PRO 14 -11.121 13.387 16.831 1.00 72.04 ATOM 217 HB1 PRO 14 -10.917 13.256 17.884 1.00 36.88 ATOM 218 HB2 PRO 14 -11.296 14.435 16.623 1.00 44.13 ATOM 219 CG PRO 14 -10.015 12.838 15.991 1.00 24.21 ATOM 220 HG1 PRO 14 -9.066 12.980 16.490 1.00 36.88 ATOM 221 HG2 PRO 14 -10.007 13.329 15.028 1.00 24.32 ATOM 222 CD PRO 14 -10.306 11.367 15.828 1.00 44.25 ATOM 223 HD1 PRO 14 -9.806 10.796 16.598 1.00 36.88 ATOM 224 HD2 PRO 14 -10.001 11.027 14.848 1.00 23.53 ATOM 225 C PRO 14 -13.157 13.269 15.325 1.00 50.22 ATOM 226 O PRO 14 -12.589 13.764 14.348 1.00 44.41 ATOM 227 N THR 15 -14.481 13.296 15.466 1.00 51.20 ATOM 228 HN THR 15 -14.882 12.888 16.262 1.00 36.88 ATOM 229 CA THR 15 -15.360 13.923 14.463 1.00 73.21 ATOM 230 HA THR 15 -14.757 14.190 13.605 1.00 51.54 ATOM 231 CB THR 15 -16.463 12.942 13.992 1.00 52.20 ATOM 232 HB THR 15 -15.987 12.039 13.634 1.00 61.51 ATOM 233 OG1 THR 15 -17.227 13.517 12.918 1.00 11.35 ATOM 234 HG1 THR 15 -17.767 12.823 12.514 1.00 2.04 ATOM 235 CG2 THR 15 -17.400 12.570 15.138 1.00 61.24 ATOM 236 HG21 THR 15 -16.833 12.109 15.934 1.00 41.43 ATOM 237 HG22 THR 15 -18.148 11.877 14.780 1.00 10.50 ATOM 238 HG23 THR 15 -17.886 13.461 15.512 1.00 61.02 ATOM 239 C THR 15 -16.021 15.198 15.011 1.00 14.41 ATOM 240 O THR 15 -15.902 15.512 16.195 1.00 2.34 ATOM 241 N ALA 16 -16.724 15.926 14.149 1.00 11.40 ATOM 242 HN ALA 16 -16.814 15.613 13.226 1.00 36.88 ATOM 243 CA ALA 16 -17.376 17.179 14.547 1.00 21.12 ATOM 244 HA ALA 16 -17.577 17.127 15.610 1.00 74.10 ATOM 245 CB ALA 16 -16.434 18.356 14.303 1.00 73.31 ATOM 246 HB1 ALA 16 -16.893 19.267 14.660 1.00 62.44 ATOM 247 HB2 ALA 16 -16.231 18.446 13.244 1.00 64.02 ATOM 248 HB3 ALA 16 -15.507 18.190 14.832 1.00 25.34 ATOM 249 C ALA 16 -18.710 17.392 13.808 1.00 45.04 ATOM 250 O ALA 16 -19.093 16.595 12.950 1.00 20.12 ATOM 251 N ARG 17 -19.408 18.474 14.152 1.00 43.41 ATOM 252 HN ARG 17 -19.047 19.066 14.848 1.00 36.88 ATOM 253 CA ARG 17 -20.696 18.816 13.527 1.00 5.31 ATOM 254 HA ARG 17 -21.341 17.953 13.618 1.00 54.15 ATOM 255 CB ARG 17 -21.342 19.997 14.274 1.00 51.44 ATOM 256 HB1 ARG 17 -22.038 20.493 13.611 1.00 36.88 ATOM 257 HB2 ARG 17 -20.566 20.699 14.546 1.00 13.31 ATOM 258 CG ARG 17 -22.094 19.601 15.546 1.00 34.23 ATOM 259 HG1 ARG 17 -22.119 20.449 16.218 1.00 36.88 ATOM 260 HG2 ARG 17 -21.579 18.779 16.022 1.00 45.11 ATOM 261 CD ARG 17 -23.524 19.174 15.234 1.00 15.10 ATOM 262 HD1 ARG 17 -24.007 18.869 16.151 1.00 36.88 ATOM 263 HD2 ARG 17 -23.499 18.341 14.545 1.00 71.05 ATOM 264 NE ARG 17 -24.289 20.271 14.637 1.00 65.24 ATOM 265 HE ARG 17 -23.959 21.181 14.783 1.00 5.12 ATOM 266 CZ ARG 17 -25.373 20.125 13.926 1.00 54.22 ATOM 267 NH1 ARG 17 -25.874 18.950 13.705 1.00 43.23 ATOM 268 HH11 ARG 17 -25.431 18.140 14.081 1.00 53.24 ATOM 269 HH12 ARG 17 -26.699 18.858 13.152 1.00 4.13 ATOM 270 NH2 ARG 17 -25.959 21.171 13.442 1.00 75.10 ATOM 271 HH21 ARG 17 -25.575 22.077 13.614 1.00 54.52 ATOM 272 HH22 ARG 17 -26.793 21.074 12.902 1.00 24.20 ATOM 273 C ARG 17 -20.544 19.158 12.033 1.00 54.55 ATOM 274 O ARG 17 -19.576 19.806 11.622 1.00 33.14 ATOM 275 N GLY 18 -21.515 18.714 11.233 1.00 44.43 ATOM 276 HN GLY 18 -22.237 18.173 11.619 1.00 36.88 ATOM 277 CA GLY 18 -21.526 19.007 9.802 1.00 51.22 ATOM 278 HA1 GLY 18 -21.251 18.113 9.263 1.00 36.88 ATOM 279 HA2 GLY 18 -20.797 19.780 9.592 1.00 60.33 ATOM 280 C GLY 18 -22.896 19.476 9.316 1.00 22.43 ATOM 281 O GLY 18 -23.675 18.692 8.769 1.00 42.23 ATOM 282 N GLU 19 -23.185 20.759 9.520 1.00 72.15 ATOM 283 HN GLU 19 -22.501 21.337 9.910 1.00 36.88 ATOM 284 CA GLU 19 -24.489 21.340 9.171 1.00 42.25 ATOM 285 HA GLU 19 -25.247 20.593 9.373 1.00 62.23 ATOM 286 CB GLU 19 -24.757 22.564 10.062 1.00 12.10 ATOM 287 HB1 GLU 19 -24.817 22.239 11.092 1.00 36.88 ATOM 288 HB2 GLU 19 -25.705 22.999 9.778 1.00 75.02 ATOM 289 CG GLU 19 -23.688 23.647 9.964 1.00 54.44 ATOM 290 HG1 GLU 19 -23.723 24.080 8.973 1.00 36.88 ATOM 291 HG2 GLU 19 -22.717 23.195 10.120 1.00 21.23 ATOM 292 CD GLU 19 -23.881 24.755 10.987 1.00 52.42 ATOM 293 OE1 GLU 19 -23.232 24.707 12.054 1.00 22.14 ATOM 294 OE2 GLU 19 -24.691 25.673 10.734 1.00 71.41 ATOM 295 C GLU 19 -24.569 21.721 7.678 1.00 52.34 ATOM 296 O GLU 19 -23.696 21.360 6.886 1.00 64.31 ATOM 297 N ALA 20 -25.621 22.448 7.299 1.00 50.32 ATOM 298 HN ALA 20 -26.251 22.764 7.978 1.00 36.88 ATOM 299 CA ALA 20 -25.855 22.800 5.889 1.00 14.32 ATOM 300 HA ALA 20 -24.896 22.818 5.388 1.00 42.23 ATOM 301 CB ALA 20 -26.715 21.727 5.226 1.00 23.41 ATOM 302 HB1 ALA 20 -27.668 21.662 5.733 1.00 54.20 ATOM 303 HB2 ALA 20 -26.211 20.774 5.286 1.00 14.43 ATOM 304 HB3 ALA 20 -26.878 21.982 4.189 1.00 54.12 ATOM 305 C ALA 20 -26.514 24.184 5.737 1.00 33.52 ATOM 306 O ALA 20 -26.995 24.768 6.711 1.00 0.01 ATOM 307 N GLY 21 -26.553 24.691 4.504 1.00 1.25 ATOM 308 HN GLY 21 -26.203 24.157 3.759 1.00 36.88 ATOM 309 CA GLY 21 -27.124 26.012 4.243 1.00 34.53 ATOM 310 HA1 GLY 21 -26.702 26.721 4.941 1.00 36.88 ATOM 311 HA2 GLY 21 -28.193 25.967 4.395 1.00 54.33 ATOM 312 C GLY 21 -26.851 26.500 2.821 1.00 15.44 ATOM 313 O GLY 21 -27.537 26.103 1.875 1.00 73.04 ATOM 314 N SER 22 -25.856 27.367 2.663 1.00 63.22 ATOM 315 HN SER 22 -25.396 27.713 3.458 1.00 36.88 ATOM 316 CA SER 22 -25.433 27.827 1.331 1.00 2.42 ATOM 317 HA SER 22 -26.324 27.991 0.737 1.00 12.11 ATOM 318 CB SER 22 -24.653 29.147 1.434 1.00 53.42 ATOM 319 HB1 SER 22 -24.340 29.459 0.447 1.00 36.88 ATOM 320 HB2 SER 22 -23.782 29.004 2.058 1.00 51.31 ATOM 321 OG SER 22 -25.451 30.177 2.003 1.00 71.13 ATOM 322 HG SER 22 -25.225 31.020 1.593 1.00 74.24 ATOM 323 C SER 22 -24.567 26.763 0.642 1.00 72.44 ATOM 324 O SER 22 -23.662 26.202 1.255 1.00 4.04 ATOM 325 N ARG 23 -24.844 26.490 -0.634 1.00 32.40 ATOM 326 HN ARG 23 -25.565 26.988 -1.082 1.00 36.88 ATOM 327 CA ARG 23 -24.111 25.457 -1.383 1.00 61.13 ATOM 328 HA ARG 23 -24.252 24.523 -0.856 1.00 21.12 ATOM 329 CB ARG 23 -24.695 25.308 -2.793 1.00 41.11 ATOM 330 HB1 ARG 23 -25.708 24.938 -2.707 1.00 36.88 ATOM 331 HB2 ARG 23 -24.107 24.584 -3.338 1.00 0.14 ATOM 332 CG ARG 23 -24.730 26.600 -3.604 1.00 15.31 ATOM 333 HG1 ARG 23 -23.722 26.859 -3.896 1.00 36.88 ATOM 334 HG2 ARG 23 -25.142 27.389 -2.990 1.00 70.12 ATOM 335 CD ARG 23 -25.589 26.447 -4.856 1.00 24.03 ATOM 336 HD1 ARG 23 -25.124 25.727 -5.515 1.00 36.88 ATOM 337 HD2 ARG 23 -25.650 27.405 -5.354 1.00 3.43 ATOM 338 NE ARG 23 -26.940 25.988 -4.522 1.00 4.43 ATOM 339 HE ARG 23 -27.017 25.248 -3.890 1.00 41.14 ATOM 340 CZ ARG 23 -28.042 26.514 -4.985 1.00 3.03 ATOM 341 NH1 ARG 23 -28.006 27.450 -5.877 1.00 71.25 ATOM 342 HH11 ARG 23 -27.130 27.774 -6.224 1.00 64.54 ATOM 343 HH12 ARG 23 -28.855 27.845 -6.217 1.00 54.10 ATOM 344 NH2 ARG 23 -29.183 26.077 -4.569 1.00 3.11 ATOM 345 HH21 ARG 23 -29.218 25.339 -3.897 1.00 53.20 ATOM 346 HH22 ARG 23 -30.027 26.478 -4.916 1.00 50.11 ATOM 347 C ARG 23 -22.602 25.747 -1.439 1.00 41.04 ATOM 348 O ARG 23 -21.783 24.828 -1.478 1.00 4.10 ATOM 349 N ASP 24 -22.241 27.026 -1.431 1.00 60.32 ATOM 350 HN ASP 24 -22.935 27.717 -1.500 1.00 36.88 ATOM 351 CA ASP 24 -20.839 27.434 -1.322 1.00 10.12 ATOM 352 HA ASP 24 -20.288 26.923 -2.102 1.00 12.41 ATOM 353 CB ASP 24 -20.724 28.946 -1.543 1.00 3.41 ATOM 354 HB1 ASP 24 -20.802 29.158 -2.602 1.00 36.88 ATOM 355 HB2 ASP 24 -19.763 29.290 -1.184 1.00 15.21 ATOM 356 CG ASP 24 -21.814 29.708 -0.814 1.00 54.10 ATOM 357 OD1 ASP 24 -22.853 30.004 -1.438 1.00 21.51 ATOM 358 OD2 ASP 24 -21.649 29.990 0.387 1.00 41.03 ATOM 359 C ASP 24 -20.254 27.019 0.046 1.00 51.31 ATOM 360 O ASP 24 -19.192 26.398 0.113 1.00 21.12 ATOM 361 N GLU 25 -20.958 27.363 1.131 1.00 64.11 ATOM 362 HN GLU 25 -21.735 27.954 1.025 1.00 36.88 ATOM 363 CA GLU 25 -20.586 26.913 2.484 1.00 2.21 ATOM 364 HA GLU 25 -19.624 27.344 2.723 1.00 52.14 ATOM 365 CB GLU 25 -21.620 27.395 3.516 1.00 32.34 ATOM 366 HB1 GLU 25 -21.445 26.877 4.449 1.00 36.88 ATOM 367 HB2 GLU 25 -22.608 27.139 3.158 1.00 23.30 ATOM 368 CG GLU 25 -21.592 28.899 3.793 1.00 3.04 ATOM 369 HG1 GLU 25 -22.470 29.160 4.369 1.00 36.88 ATOM 370 HG2 GLU 25 -21.619 29.426 2.849 1.00 44.51 ATOM 371 CD GLU 25 -20.355 29.345 4.565 1.00 44.21 ATOM 372 OE1 GLU 25 -20.113 28.808 5.670 1.00 62.20 ATOM 373 OE2 GLU 25 -19.638 30.252 4.090 1.00 25.41 ATOM 374 C GLU 25 -20.475 25.381 2.551 1.00 42.21 ATOM 375 O GLU 25 -19.577 24.840 3.202 1.00 45.11 ATOM 376 N ARG 26 -21.387 24.686 1.865 1.00 11.55 ATOM 377 HN ARG 26 -22.084 25.173 1.378 1.00 36.88 ATOM 378 CA ARG 26 -21.379 23.221 1.825 1.00 73.43 ATOM 379 HA ARG 26 -21.450 22.869 2.845 1.00 32.23 ATOM 380 CB ARG 26 -22.594 22.699 1.030 1.00 24.11 ATOM 381 HB1 ARG 26 -22.296 22.527 0.005 1.00 36.88 ATOM 382 HB2 ARG 26 -23.368 23.454 1.043 1.00 75.25 ATOM 383 CG ARG 26 -23.190 21.399 1.581 1.00 51.31 ATOM 384 HG1 ARG 26 -24.124 21.205 1.074 1.00 36.88 ATOM 385 HG2 ARG 26 -23.377 21.525 2.637 1.00 22.12 ATOM 386 CD ARG 26 -22.266 20.198 1.391 1.00 22.24 ATOM 387 HD1 ARG 26 -21.263 20.482 1.674 1.00 36.88 ATOM 388 HD2 ARG 26 -22.277 19.908 0.350 1.00 25.43 ATOM 389 NE ARG 26 -22.680 19.058 2.208 1.00 41.13 ATOM 390 HE ARG 26 -23.268 19.242 2.968 1.00 73.43 ATOM 391 CZ ARG 26 -22.283 17.828 2.016 1.00 34.42 ATOM 392 NH1 ARG 26 -21.554 17.515 0.994 1.00 11.21 ATOM 393 HH11 ARG 26 -21.295 18.215 0.333 1.00 24.34 ATOM 394 HH12 ARG 26 -21.248 16.571 0.873 1.00 21.45 ATOM 395 NH2 ARG 26 -22.639 16.899 2.840 1.00 1.44 ATOM 396 HH21 ARG 26 -23.220 17.118 3.623 1.00 70.14 ATOM 397 HH22 ARG 26 -22.326 15.964 2.692 1.00 52.21 ATOM 398 C ARG 26 -20.058 22.708 1.221 1.00 31.24 ATOM 399 O ARG 26 -19.487 21.726 1.697 1.00 53.31 ATOM 400 N ARG 27 -19.574 23.387 0.179 1.00 41.52 ATOM 401 HN ARG 27 -20.123 24.099 -0.220 1.00 36.88 ATOM 402 CA ARG 27 -18.250 23.094 -0.392 1.00 52.24 ATOM 403 HA ARG 27 -18.256 22.074 -0.751 1.00 42.45 ATOM 404 CB ARG 27 -17.943 24.040 -1.561 1.00 50.13 ATOM 405 HB1 ARG 27 -16.922 23.879 -1.881 1.00 36.88 ATOM 406 HB2 ARG 27 -18.039 25.059 -1.214 1.00 3.30 ATOM 407 CG ARG 27 -18.848 23.870 -2.774 1.00 73.12 ATOM 408 HG1 ARG 27 -19.875 24.003 -2.468 1.00 36.88 ATOM 409 HG2 ARG 27 -18.715 22.877 -3.180 1.00 51.34 ATOM 410 CD ARG 27 -18.511 24.898 -3.849 1.00 72.15 ATOM 411 HD1 ARG 27 -17.437 24.930 -3.973 1.00 36.88 ATOM 412 HD2 ARG 27 -18.861 25.867 -3.522 1.00 25.34 ATOM 413 NE ARG 27 -19.128 24.588 -5.135 1.00 44.22 ATOM 414 HE ARG 27 -19.936 24.037 -5.131 1.00 32.10 ATOM 415 CZ ARG 27 -18.652 24.982 -6.283 1.00 12.11 ATOM 416 NH1 ARG 27 -17.601 25.734 -6.329 1.00 41.13 ATOM 417 HH11 ARG 27 -17.151 26.012 -5.491 1.00 53.15 ATOM 418 HH12 ARG 27 -17.241 26.034 -7.212 1.00 30.43 ATOM 419 NH2 ARG 27 -19.237 24.634 -7.382 1.00 63.41 ATOM 420 HH21 ARG 27 -20.058 24.067 -7.353 1.00 1.23 ATOM 421 HH22 ARG 27 -18.850 24.912 -8.262 1.00 64.22 ATOM 422 C ARG 27 -17.150 23.245 0.670 1.00 32.21 ATOM 423 O ARG 27 -16.280 22.383 0.815 1.00 1.22 ATOM 424 N ALA 28 -17.210 24.349 1.412 1.00 34.35 ATOM 425 HN ALA 28 -17.948 24.981 1.260 1.00 36.88 ATOM 426 CA ALA 28 -16.215 24.657 2.445 1.00 44.10 ATOM 427 HA ALA 28 -15.254 24.755 1.958 1.00 40.01 ATOM 428 CB ALA 28 -16.544 25.992 3.102 1.00 13.30 ATOM 429 HB1 ALA 28 -15.773 26.245 3.815 1.00 73.41 ATOM 430 HB2 ALA 28 -17.495 25.920 3.608 1.00 11.20 ATOM 431 HB3 ALA 28 -16.598 26.762 2.346 1.00 50.20 ATOM 432 C ALA 28 -16.119 23.544 3.502 1.00 23.43 ATOM 433 O ALA 28 -15.040 23.010 3.755 1.00 23.22 ATOM 434 N LEU 29 -17.248 23.183 4.103 1.00 5.13 ATOM 435 HN LEU 29 -18.087 23.632 3.854 1.00 36.88 ATOM 436 CA LEU 29 -17.266 22.144 5.141 1.00 43.14 ATOM 437 HA LEU 29 -16.472 22.382 5.835 1.00 21.41 ATOM 438 CB LEU 29 -18.601 22.183 5.910 1.00 3.42 ATOM 439 HB1 LEU 29 -18.645 23.121 6.443 1.00 36.88 ATOM 440 HB2 LEU 29 -18.592 21.382 6.637 1.00 62.02 ATOM 441 CG LEU 29 -19.884 22.053 5.062 1.00 14.13 ATOM 442 HG LEU 29 -19.717 22.529 4.106 1.00 65.22 ATOM 443 CD1 LEU 29 -20.230 20.590 4.793 1.00 32.51 ATOM 444 HD11 LEU 29 -20.377 20.076 5.732 1.00 32.12 ATOM 445 HD12 LEU 29 -19.423 20.123 4.249 1.00 72.43 ATOM 446 HD13 LEU 29 -21.136 20.535 4.208 1.00 14.13 ATOM 447 CD2 LEU 29 -21.055 22.767 5.733 1.00 54.33 ATOM 448 HD21 LEU 29 -21.271 22.297 6.683 1.00 41.31 ATOM 449 HD22 LEU 29 -21.926 22.709 5.096 1.00 11.21 ATOM 450 HD23 LEU 29 -20.799 23.805 5.895 1.00 62.41 ATOM 451 C LEU 29 -16.980 20.738 4.566 1.00 3.23 ATOM 452 O LEU 29 -16.457 19.869 5.266 1.00 71.34 ATOM 453 N ALA 30 -17.308 20.528 3.291 1.00 51.32 ATOM 454 HN ALA 30 -17.740 21.249 2.784 1.00 36.88 ATOM 455 CA ALA 30 -17.059 19.240 2.626 1.00 2.33 ATOM 456 HA ALA 30 -17.418 18.456 3.280 1.00 4.03 ATOM 457 CB ALA 30 -17.847 19.162 1.323 1.00 10.01 ATOM 458 HB1 ALA 30 -18.894 19.328 1.527 1.00 41.31 ATOM 459 HB2 ALA 30 -17.718 18.185 0.878 1.00 11.21 ATOM 460 HB3 ALA 30 -17.490 19.919 0.638 1.00 75.52 ATOM 461 C ALA 30 -15.559 19.014 2.362 1.00 34.20 ATOM 462 O ALA 30 -15.058 17.890 2.474 1.00 33.32 ATOM 463 N MET 31 -14.850 20.086 2.006 1.00 64.51 ATOM 464 HN MET 31 -15.311 20.947 1.904 1.00 36.88 ATOM 465 CA MET 31 -13.400 20.023 1.752 1.00 70.24 ATOM 466 HA MET 31 -13.137 18.992 1.562 1.00 64.34 ATOM 467 CB MET 31 -13.055 20.861 0.513 1.00 12.23 ATOM 468 HB1 MET 31 -11.980 20.909 0.409 1.00 36.88 ATOM 469 HB2 MET 31 -13.437 21.862 0.652 1.00 30.31 ATOM 470 CG MET 31 -13.634 20.308 -0.782 1.00 44.33 ATOM 471 HG1 MET 31 -13.462 21.021 -1.575 1.00 36.88 ATOM 472 HG2 MET 31 -14.696 20.165 -0.654 1.00 41.13 ATOM 473 SD MET 31 -12.896 18.731 -1.257 1.00 53.54 ATOM 474 CE MET 31 -11.186 19.218 -1.511 1.00 13.41 ATOM 475 HE1 MET 31 -11.129 19.941 -2.313 1.00 25.22 ATOM 476 HE2 MET 31 -10.599 18.349 -1.768 1.00 51.24 ATOM 477 HE3 MET 31 -10.798 19.657 -0.605 1.00 72.22 ATOM 478 C MET 31 -12.593 20.519 2.966 1.00 12.02 ATOM 479 O MET 31 -11.367 20.635 2.900 1.00 31.31 ATOM 480 N LYS 32 -13.295 20.793 4.068 1.00 43.43 ATOM 481 HN LYS 32 -14.263 20.642 4.053 1.00 36.88 ATOM 482 CA LYS 32 -12.685 21.310 5.301 1.00 32.30 ATOM 483 HA LYS 32 -13.499 21.531 5.978 1.00 72.44 ATOM 484 CB LYS 32 -11.788 20.251 5.964 1.00 2.21 ATOM 485 HB1 LYS 32 -11.276 20.706 6.801 1.00 36.88 ATOM 486 HB2 LYS 32 -11.053 19.915 5.244 1.00 21.02 ATOM 487 CG LYS 32 -12.556 19.032 6.474 1.00 22.22 ATOM 488 HG1 LYS 32 -12.951 18.488 5.626 1.00 36.88 ATOM 489 HG2 LYS 32 -13.373 19.370 7.095 1.00 12.33 ATOM 490 CD LYS 32 -11.668 18.096 7.292 1.00 65.10 ATOM 491 HD1 LYS 32 -11.184 18.665 8.074 1.00 36.88 ATOM 492 HD2 LYS 32 -10.917 17.666 6.642 1.00 63.52 ATOM 493 CE LYS 32 -12.475 16.966 7.929 1.00 73.11 ATOM 494 HE1 LYS 32 -11.809 16.358 8.527 1.00 36.88 ATOM 495 HE2 LYS 32 -12.907 16.359 7.145 1.00 3.31 ATOM 496 NZ LYS 32 -13.571 17.484 8.796 1.00 72.43 ATOM 497 HZ1 LYS 32 -13.994 16.709 9.347 1.00 30.23 ATOM 498 HZ2 LYS 32 -14.315 17.919 8.214 1.00 74.30 ATOM 499 HZ3 LYS 32 -13.204 18.202 9.456 1.00 55.23 ATOM 500 C LYS 32 -11.906 22.619 5.068 1.00 34.50 ATOM 501 O LYS 32 -10.672 22.636 5.035 1.00 12.23 ATOM 502 N ILE 33 -12.648 23.711 4.888 1.00 52.41 ATOM 503 HN ILE 33 -13.623 23.616 4.855 1.00 36.88 ATOM 504 CA ILE 33 -12.063 25.047 4.728 1.00 10.01 ATOM 505 HA ILE 33 -11.008 24.930 4.510 1.00 60.41 ATOM 506 CB ILE 33 -12.724 25.806 3.545 1.00 40.55 ATOM 507 HB ILE 33 -13.783 25.888 3.750 1.00 45.40 ATOM 508 CG1 ILE 33 -12.532 25.030 2.228 1.00 41.13 ATOM 509 HG11 ILE 33 -13.025 25.565 1.429 1.00 36.88 ATOM 510 HG12 ILE 33 -12.978 24.051 2.325 1.00 4.22 ATOM 511 CG2 ILE 33 -12.162 27.221 3.419 1.00 1.13 ATOM 512 HG21 ILE 33 -11.094 27.176 3.262 1.00 15.30 ATOM 513 HG22 ILE 33 -12.369 27.775 4.324 1.00 41.15 ATOM 514 HG23 ILE 33 -12.627 27.723 2.580 1.00 1.21 ATOM 515 CD1 ILE 33 -11.081 24.839 1.831 1.00 34.13 ATOM 516 HD11 ILE 33 -10.610 25.804 1.708 1.00 33.43 ATOM 517 HD12 ILE 33 -11.031 24.295 0.900 1.00 63.42 ATOM 518 HD13 ILE 33 -10.563 24.283 2.601 1.00 45.23 ATOM 519 C ILE 33 -12.219 25.866 6.024 1.00 64.21 ATOM 520 O ILE 33 -13.338 26.146 6.460 1.00 33.33 ATOM 521 N PRO 34 -11.095 26.272 6.653 1.00 54.53 ATOM 522 CA PRO 34 -11.115 26.972 7.956 1.00 24.13 ATOM 523 HA PRO 34 -11.767 26.467 8.656 1.00 24.41 ATOM 524 CB PRO 34 -9.662 26.835 8.431 1.00 3.41 ATOM 525 HB1 PRO 34 -9.552 25.930 9.011 1.00 36.88 ATOM 526 HB2 PRO 34 -9.391 27.690 9.037 1.00 32.05 ATOM 527 CG PRO 34 -8.857 26.775 7.175 1.00 54.43 ATOM 528 HG1 PRO 34 -7.948 26.217 7.349 1.00 36.88 ATOM 529 HG2 PRO 34 -8.621 27.776 6.840 1.00 12.04 ATOM 530 CD PRO 34 -9.717 26.069 6.154 1.00 32.53 ATOM 531 HD1 PRO 34 -9.476 25.016 6.118 1.00 36.88 ATOM 532 HD2 PRO 34 -9.591 26.518 5.178 1.00 53.02 ATOM 533 C PRO 34 -11.526 28.459 7.873 1.00 51.03 ATOM 534 O PRO 34 -11.177 29.257 8.748 1.00 62.14 ATOM 535 N PHE 35 -12.280 28.824 6.837 1.00 0.31 ATOM 536 HN PHE 35 -12.515 28.155 6.162 1.00 36.88 ATOM 537 CA PHE 35 -12.781 30.196 6.683 1.00 1.44 ATOM 538 HA PHE 35 -13.068 30.539 7.667 1.00 0.22 ATOM 539 CB PHE 35 -11.676 31.128 6.144 1.00 33.15 ATOM 540 HB1 PHE 35 -10.935 31.272 6.918 1.00 36.88 ATOM 541 HB2 PHE 35 -12.114 32.085 5.901 1.00 41.12 ATOM 542 CG PHE 35 -10.966 30.622 4.911 1.00 44.14 ATOM 543 CD1 PHE 35 -9.832 29.831 5.027 1.00 14.04 ATOM 544 HD1 PHE 35 -9.468 29.569 6.011 1.00 24.34 ATOM 545 CD2 PHE 35 -11.419 30.946 3.641 1.00 14.35 ATOM 546 HD2 PHE 35 -12.301 31.560 3.531 1.00 42.11 ATOM 547 CE1 PHE 35 -9.167 29.377 3.905 1.00 20.13 ATOM 548 HE1 PHE 35 -8.283 28.761 4.013 1.00 43.43 ATOM 549 CE2 PHE 35 -10.756 30.490 2.517 1.00 74.34 ATOM 550 HE2 PHE 35 -11.120 30.747 1.534 1.00 31.12 ATOM 551 CZ PHE 35 -9.631 29.705 2.649 1.00 13.23 ATOM 552 HZ PHE 35 -9.111 29.352 1.769 1.00 55.02 ATOM 553 C PHE 35 -14.030 30.240 5.781 1.00 21.42 ATOM 554 O PHE 35 -14.129 29.491 4.809 1.00 54.34 ATOM 555 N PRO 36 -15.000 31.125 6.098 1.00 71.54 ATOM 556 CA PRO 36 -16.287 31.200 5.373 1.00 63.45 ATOM 557 HA PRO 36 -16.766 30.231 5.330 1.00 25.13 ATOM 558 CB PRO 36 -17.122 32.142 6.251 1.00 41.04 ATOM 559 HB1 PRO 36 -17.689 31.563 6.968 1.00 36.88 ATOM 560 HB2 PRO 36 -17.797 32.721 5.635 1.00 62.42 ATOM 561 CG PRO 36 -16.114 33.007 6.927 1.00 62.42 ATOM 562 HG1 PRO 36 -16.513 33.385 7.858 1.00 36.88 ATOM 563 HG2 PRO 36 -15.837 33.828 6.278 1.00 1.24 ATOM 564 CD PRO 36 -14.925 32.120 7.188 1.00 34.14 ATOM 565 HD1 PRO 36 -15.011 31.641 8.153 1.00 36.88 ATOM 566 HD2 PRO 36 -14.007 32.688 7.129 1.00 51.43 ATOM 567 C PRO 36 -16.168 31.763 3.943 1.00 4.22 ATOM 568 O PRO 36 -15.249 32.525 3.623 1.00 73.21 ATOM 569 N THR 37 -17.135 31.405 3.098 1.00 62.25 ATOM 570 HN THR 37 -17.871 30.841 3.432 1.00 36.88 ATOM 571 CA THR 37 -17.149 31.818 1.686 1.00 2.24 ATOM 572 HA THR 37 -16.219 31.494 1.238 1.00 23.31 ATOM 573 CB THR 37 -18.307 31.146 0.922 1.00 54.55 ATOM 574 HB THR 37 -18.247 31.428 -0.120 1.00 41.14 ATOM 575 OG1 THR 37 -19.568 31.588 1.454 1.00 52.14 ATOM 576 HG1 THR 37 -20.118 30.818 1.663 1.00 4.15 ATOM 577 CG2 THR 37 -18.204 29.627 1.023 1.00 73.25 ATOM 578 HG21 THR 37 -19.019 29.172 0.480 1.00 15.21 ATOM 579 HG22 THR 37 -18.255 29.327 2.061 1.00 45.30 ATOM 580 HG23 THR 37 -17.264 29.300 0.601 1.00 35.02 ATOM 581 C THR 37 -17.274 33.339 1.524 1.00 21.43 ATOM 582 O THR 37 -16.618 33.935 0.666 1.00 21.31 ATOM 583 N ASP 38 -18.129 33.960 2.338 1.00 42.14 ATOM 584 HN ASP 38 -18.698 33.420 2.928 1.00 36.88 ATOM 585 CA ASP 38 -18.272 35.423 2.346 1.00 53.42 ATOM 586 HA ASP 38 -18.729 35.712 1.410 1.00 23.11 ATOM 587 CB ASP 38 -19.182 35.861 3.496 1.00 2.01 ATOM 588 HB1 ASP 38 -19.132 36.937 3.601 1.00 36.88 ATOM 589 HB2 ASP 38 -18.842 35.400 4.412 1.00 54.14 ATOM 590 CG ASP 38 -20.628 35.465 3.266 1.00 63.14 ATOM 591 OD1 ASP 38 -20.951 34.266 3.395 1.00 5.43 ATOM 592 OD2 ASP 38 -21.452 36.352 2.959 1.00 14.12 ATOM 593 C ASP 38 -16.907 36.122 2.458 1.00 14.43 ATOM 594 O ASP 38 -16.651 37.117 1.779 1.00 5.32 ATOM 595 N LYS 39 -16.034 35.588 3.311 1.00 31.20 ATOM 596 HN LYS 39 -16.311 34.824 3.858 1.00 36.88 ATOM 597 CA LYS 39 -14.667 36.107 3.444 1.00 23.23 ATOM 598 HA LYS 39 -14.732 37.160 3.682 1.00 45.34 ATOM 599 CB LYS 39 -13.930 35.378 4.581 1.00 50.24 ATOM 600 HB1 LYS 39 -13.934 34.316 4.378 1.00 36.88 ATOM 601 HB2 LYS 39 -14.456 35.557 5.509 1.00 64.45 ATOM 602 CG LYS 39 -12.481 35.825 4.760 1.00 42.34 ATOM 603 HG1 LYS 39 -12.467 36.882 4.986 1.00 36.88 ATOM 604 HG2 LYS 39 -11.944 35.649 3.839 1.00 15.52 ATOM 605 CD LYS 39 -11.783 35.068 5.888 1.00 14.14 ATOM 606 HD1 LYS 39 -10.747 35.378 5.925 1.00 36.88 ATOM 607 HD2 LYS 39 -11.832 34.009 5.682 1.00 11.20 ATOM 608 CE LYS 39 -12.428 35.337 7.243 1.00 24.12 ATOM 609 HE1 LYS 39 -11.915 34.753 7.993 1.00 36.88 ATOM 610 HE2 LYS 39 -13.465 35.037 7.203 1.00 4.12 ATOM 611 NZ LYS 39 -12.355 36.772 7.619 1.00 64.51 ATOM 612 HZ1 LYS 39 -12.792 36.922 8.551 1.00 65.44 ATOM 613 HZ2 LYS 39 -12.853 37.356 6.918 1.00 5.41 ATOM 614 HZ3 LYS 39 -11.362 37.080 7.661 1.00 30.35 ATOM 615 C LYS 39 -13.894 35.945 2.126 1.00 33.02 ATOM 616 O LYS 39 -13.246 36.877 1.653 1.00 52.14 ATOM 617 N ILE 40 -13.994 34.757 1.533 1.00 34.04 ATOM 618 HN ILE 40 -14.539 34.062 1.959 1.00 36.88 ATOM 619 CA ILE 40 -13.318 34.445 0.268 1.00 31.31 ATOM 620 HA ILE 40 -12.252 34.450 0.451 1.00 64.14 ATOM 621 CB ILE 40 -13.716 33.033 -0.236 1.00 60.32 ATOM 622 HB ILE 40 -14.790 33.014 -0.365 1.00 34.12 ATOM 623 CG1 ILE 40 -13.320 31.968 0.798 1.00 31.22 ATOM 624 HG11 ILE 40 -13.791 32.200 1.744 1.00 36.88 ATOM 625 HG12 ILE 40 -12.249 31.984 0.924 1.00 13.03 ATOM 626 CG2 ILE 40 -13.078 32.738 -1.595 1.00 55.20 ATOM 627 HG21 ILE 40 -13.361 31.746 -1.923 1.00 51.23 ATOM 628 HG22 ILE 40 -12.002 32.794 -1.510 1.00 32.32 ATOM 629 HG23 ILE 40 -13.419 33.465 -2.319 1.00 65.34 ATOM 630 CD1 ILE 40 -13.719 30.556 0.418 1.00 15.13 ATOM 631 HD11 ILE 40 -14.793 30.500 0.318 1.00 21.15 ATOM 632 HD12 ILE 40 -13.393 29.870 1.187 1.00 73.21 ATOM 633 HD13 ILE 40 -13.256 30.289 -0.522 1.00 34.21 ATOM 634 C ILE 40 -13.640 35.471 -0.830 1.00 25.05 ATOM 635 O ILE 40 -12.773 35.835 -1.626 1.00 72.24 ATOM 636 N VAL 41 -14.890 35.925 -0.869 1.00 15.02 ATOM 637 HN VAL 41 -15.530 35.610 -0.196 1.00 36.88 ATOM 638 CA VAL 41 -15.345 36.868 -1.901 1.00 34.52 ATOM 639 HA VAL 41 -14.788 36.660 -2.805 1.00 72.24 ATOM 640 CB VAL 41 -16.852 36.668 -2.212 1.00 2.34 ATOM 641 HB VAL 41 -17.418 36.943 -1.331 1.00 2.52 ATOM 642 CG1 VAL 41 -17.300 37.571 -3.363 1.00 35.13 ATOM 643 HG11 VAL 41 -16.739 37.328 -4.254 1.00 44.41 ATOM 644 HG12 VAL 41 -17.126 38.605 -3.101 1.00 53.43 ATOM 645 HG13 VAL 41 -18.355 37.423 -3.551 1.00 60.12 ATOM 646 CG2 VAL 41 -17.146 35.202 -2.525 1.00 23.55 ATOM 647 HG21 VAL 41 -16.558 34.890 -3.375 1.00 73.54 ATOM 648 HG22 VAL 41 -18.195 35.084 -2.754 1.00 54.01 ATOM 649 HG23 VAL 41 -16.894 34.592 -1.669 1.00 42.24 ATOM 650 C VAL 41 -15.104 38.341 -1.506 1.00 23.23 ATOM 651 O VAL 41 -14.643 39.140 -2.321 1.00 63.03 ATOM 652 N ASN 42 -15.396 38.695 -0.253 1.00 42.34 ATOM 653 HN ASN 42 -15.638 38.000 0.395 1.00 36.88 ATOM 654 CA ASN 42 -15.358 40.102 0.182 1.00 54.32 ATOM 655 HA ASN 42 -15.633 40.707 -0.673 1.00 1.14 ATOM 656 CB ASN 42 -16.396 40.340 1.286 1.00 52.43 ATOM 657 HB1 ASN 42 -16.236 41.316 1.724 1.00 36.88 ATOM 658 HB2 ASN 42 -16.285 39.585 2.051 1.00 22.24 ATOM 659 CG ASN 42 -17.816 40.282 0.750 1.00 74.21 ATOM 660 OD1 ASN 42 -18.362 41.285 0.305 1.00 12.43 ATOM 661 ND2 ASN 42 -18.425 39.115 0.785 1.00 44.22 ATOM 662 HD21 ASN 42 -17.941 38.351 1.154 1.00 34.34 ATOM 663 HD22 ASN 42 -19.338 39.065 0.434 1.00 73.50 ATOM 664 C ASN 42 -13.963 40.562 0.650 1.00 22.11 ATOM 665 O ASN 42 -13.843 41.551 1.376 1.00 11.41 ATOM 666 N LEU 43 -12.916 39.859 0.230 1.00 14.23 ATOM 667 HN LEU 43 -13.070 39.008 -0.228 1.00 36.88 ATOM 668 CA LEU 43 -11.535 40.320 0.447 1.00 32.21 ATOM 669 HA LEU 43 -11.558 41.102 1.195 1.00 60.43 ATOM 670 CB LEU 43 -10.646 39.172 0.955 1.00 51.41 ATOM 671 HB1 LEU 43 -9.613 39.478 0.864 1.00 36.88 ATOM 672 HB2 LEU 43 -10.803 38.317 0.310 1.00 23.34 ATOM 673 CG LEU 43 -10.886 38.730 2.407 1.00 23.35 ATOM 674 HG LEU 43 -11.905 38.383 2.507 1.00 1.13 ATOM 675 CD1 LEU 43 -9.960 37.572 2.774 1.00 44.41 ATOM 676 HD11 LEU 43 -10.126 37.289 3.804 1.00 41.43 ATOM 677 HD12 LEU 43 -8.931 37.876 2.646 1.00 44.33 ATOM 678 HD13 LEU 43 -10.166 36.728 2.131 1.00 0.14 ATOM 679 CD2 LEU 43 -10.687 39.897 3.372 1.00 50.10 ATOM 680 HD21 LEU 43 -9.669 40.257 3.302 1.00 14.20 ATOM 681 HD22 LEU 43 -10.883 39.567 4.382 1.00 52.30 ATOM 682 HD23 LEU 43 -11.368 40.696 3.118 1.00 0.01 ATOM 683 C LEU 43 -10.931 40.887 -0.851 1.00 75.41 ATOM 684 O LEU 43 -11.151 40.342 -1.931 1.00 32.11 ATOM 685 N PRO 44 -10.161 41.988 -0.775 1.00 53.54 ATOM 686 CA PRO 44 -9.421 42.503 -1.941 1.00 64.25 ATOM 687 HA PRO 44 -10.092 42.732 -2.759 1.00 12.45 ATOM 688 CB PRO 44 -8.777 43.799 -1.419 1.00 35.42 ATOM 689 HB1 PRO 44 -9.371 44.649 -1.726 1.00 36.88 ATOM 690 HB2 PRO 44 -7.776 43.894 -1.816 1.00 44.33 ATOM 691 CG PRO 44 -8.761 43.658 0.068 1.00 0.22 ATOM 692 HG1 PRO 44 -8.831 44.632 0.533 1.00 36.88 ATOM 693 HG2 PRO 44 -7.851 43.162 0.379 1.00 2.14 ATOM 694 CD PRO 44 -9.960 42.821 0.425 1.00 74.04 ATOM 695 HD1 PRO 44 -10.821 43.449 0.605 1.00 36.88 ATOM 696 HD2 PRO 44 -9.751 42.208 1.291 1.00 32.53 ATOM 697 C PRO 44 -8.351 41.501 -2.426 1.00 2.12 ATOM 698 O PRO 44 -7.864 40.681 -1.645 1.00 61.02 ATOM 699 N VAL 45 -7.991 41.571 -3.711 1.00 73.54 ATOM 700 HN VAL 45 -8.361 42.290 -4.269 1.00 36.88 ATOM 701 CA VAL 45 -7.074 40.591 -4.327 1.00 2.22 ATOM 702 HA VAL 45 -7.617 39.656 -4.398 1.00 42.45 ATOM 703 CB VAL 45 -6.679 41.012 -5.771 1.00 50.40 ATOM 704 HB VAL 45 -7.587 41.089 -6.357 1.00 61.52 ATOM 705 CG1 VAL 45 -6.002 42.380 -5.782 1.00 1.31 ATOM 706 HG11 VAL 45 -5.784 42.668 -6.801 1.00 2.22 ATOM 707 HG12 VAL 45 -5.079 42.331 -5.219 1.00 31.22 ATOM 708 HG13 VAL 45 -6.658 43.110 -5.334 1.00 63.23 ATOM 709 CG2 VAL 45 -5.787 39.954 -6.425 1.00 30.14 ATOM 710 HG21 VAL 45 -5.558 40.251 -7.439 1.00 20.43 ATOM 711 HG22 VAL 45 -6.300 39.004 -6.438 1.00 40.21 ATOM 712 HG23 VAL 45 -4.869 39.859 -5.863 1.00 73.45 ATOM 713 C VAL 45 -5.799 40.338 -3.489 1.00 43.31 ATOM 714 O VAL 45 -5.345 39.197 -3.374 1.00 31.15 ATOM 715 N ASP 46 -5.232 41.389 -2.896 1.00 65.41 ATOM 716 HN ASP 46 -5.620 42.283 -3.030 1.00 36.88 ATOM 717 CA ASP 46 -4.038 41.236 -2.051 1.00 44.21 ATOM 718 HA ASP 46 -3.282 40.740 -2.646 1.00 61.42 ATOM 719 CB ASP 46 -3.503 42.606 -1.617 1.00 42.21 ATOM 720 HB1 ASP 46 -2.699 42.464 -0.907 1.00 36.88 ATOM 721 HB2 ASP 46 -4.299 43.162 -1.141 1.00 24.43 ATOM 722 CG ASP 46 -2.972 43.418 -2.783 1.00 14.42 ATOM 723 OD1 ASP 46 -3.501 44.514 -3.048 1.00 35.13 ATOM 724 OD2 ASP 46 -2.013 42.961 -3.446 1.00 44.00 ATOM 725 C ASP 46 -4.329 40.370 -0.812 1.00 12.11 ATOM 726 O ASP 46 -3.657 39.363 -0.571 1.00 31.13 ATOM 727 N ASP 47 -5.340 40.758 -0.037 1.00 14.15 ATOM 728 HN ASP 47 -5.831 41.575 -0.267 1.00 36.88 ATOM 729 CA ASP 47 -5.729 40.005 1.160 1.00 31.12 ATOM 730 HA ASP 47 -4.838 39.875 1.761 1.00 61.24 ATOM 731 CB ASP 47 -6.749 40.800 1.977 1.00 11.05 ATOM 732 HB1 ASP 47 -7.090 40.197 2.808 1.00 36.88 ATOM 733 HB2 ASP 47 -7.594 41.049 1.349 1.00 35.54 ATOM 734 CG ASP 47 -6.154 42.086 2.523 1.00 40.42 ATOM 735 OD1 ASP 47 -5.691 42.092 3.685 1.00 64.40 ATOM 736 OD2 ASP 47 -6.144 43.100 1.797 1.00 72.14 ATOM 737 C ASP 47 -6.280 38.611 0.811 1.00 63.11 ATOM 738 O ASP 47 -6.312 37.720 1.659 1.00 25.21 ATOM 739 N PHE 48 -6.715 38.428 -0.435 1.00 72.02 ATOM 740 HN PHE 48 -6.768 39.199 -1.039 1.00 36.88 ATOM 741 CA PHE 48 -7.125 37.104 -0.923 1.00 2.41 ATOM 742 HA PHE 48 -7.825 36.691 -0.209 1.00 31.53 ATOM 743 CB PHE 48 -7.816 37.226 -2.289 1.00 61.01 ATOM 744 HB1 PHE 48 -7.141 37.706 -2.983 1.00 36.88 ATOM 745 HB2 PHE 48 -8.703 37.835 -2.183 1.00 60.20 ATOM 746 CG PHE 48 -8.234 35.901 -2.884 1.00 14.44 ATOM 747 CD1 PHE 48 -7.566 35.375 -3.984 1.00 3.34 ATOM 748 HD1 PHE 48 -6.745 35.924 -4.421 1.00 14.42 ATOM 749 CD2 PHE 48 -9.287 35.181 -2.339 1.00 61.14 ATOM 750 HD2 PHE 48 -9.816 35.577 -1.485 1.00 14.44 ATOM 751 CE1 PHE 48 -7.940 34.159 -4.523 1.00 70.05 ATOM 752 HE1 PHE 48 -7.414 33.761 -5.379 1.00 21.15 ATOM 753 CE2 PHE 48 -9.665 33.967 -2.876 1.00 73.44 ATOM 754 HE2 PHE 48 -10.487 33.415 -2.442 1.00 25.42 ATOM 755 CZ PHE 48 -8.992 33.455 -3.970 1.00 40.22 ATOM 756 HZ PHE 48 -9.285 32.505 -4.389 1.00 45.15 ATOM 757 C PHE 48 -5.910 36.169 -1.018 1.00 30.23 ATOM 758 O PHE 48 -5.957 35.022 -0.564 1.00 24.21 ATOM 759 N ASN 49 -4.823 36.667 -1.607 1.00 33.22 ATOM 760 HN ASN 49 -4.872 37.553 -2.029 1.00 36.88 ATOM 761 CA ASN 49 -3.560 35.921 -1.648 1.00 1.11 ATOM 762 HA ASN 49 -3.748 34.984 -2.154 1.00 64.24 ATOM 763 CB ASN 49 -2.496 36.705 -2.424 1.00 42.54 ATOM 764 HB1 ASN 49 -1.564 36.158 -2.395 1.00 36.88 ATOM 765 HB2 ASN 49 -2.355 37.670 -1.956 1.00 32.24 ATOM 766 CG ASN 49 -2.873 36.924 -3.879 1.00 33.02 ATOM 767 OD1 ASN 49 -3.581 36.124 -4.481 1.00 24.43 ATOM 768 ND2 ASN 49 -2.406 38.013 -4.455 1.00 33.35 ATOM 769 HD21 ASN 49 -1.853 38.618 -3.922 1.00 51.11 ATOM 770 HD22 ASN 49 -2.622 38.161 -5.399 1.00 40.20 ATOM 771 C ASN 49 -3.065 35.624 -0.224 1.00 41.42 ATOM 772 O ASN 49 -2.590 34.522 0.071 1.00 40.32 ATOM 773 N GLU 50 -3.183 36.621 0.654 1.00 34.42 ATOM 774 HN GLU 50 -3.460 37.506 0.330 1.00 36.88 ATOM 775 CA GLU 50 -2.899 36.445 2.081 1.00 51.01 ATOM 776 HA GLU 50 -1.849 36.205 2.186 1.00 74.23 ATOM 777 CB GLU 50 -3.191 37.746 2.841 1.00 53.43 ATOM 778 HB1 GLU 50 -3.226 37.532 3.902 1.00 36.88 ATOM 779 HB2 GLU 50 -4.157 38.120 2.531 1.00 45.00 ATOM 780 CG GLU 50 -2.162 38.844 2.614 1.00 14.33 ATOM 781 HG1 GLU 50 -2.532 39.765 3.045 1.00 36.88 ATOM 782 HG2 GLU 50 -2.025 38.979 1.550 1.00 5.41 ATOM 783 CD GLU 50 -0.818 38.517 3.244 1.00 1.25 ATOM 784 OE1 GLU 50 0.073 38.004 2.537 1.00 44.14 ATOM 785 OE2 GLU 50 -0.649 38.773 4.457 1.00 24.10 ATOM 786 C GLU 50 -3.732 35.303 2.679 1.00 54.21 ATOM 787 O GLU 50 -3.201 34.413 3.336 1.00 62.52 ATOM 788 N LEU 51 -5.040 35.345 2.436 1.00 64.33 ATOM 789 HN LEU 51 -5.394 36.087 1.900 1.00 36.88 ATOM 790 CA LEU 51 -5.975 34.330 2.935 1.00 1.25 ATOM 791 HA LEU 51 -6.061 34.455 4.007 1.00 1.33 ATOM 792 CB LEU 51 -7.350 34.554 2.291 1.00 24.43 ATOM 793 HB1 LEU 51 -7.240 34.445 1.221 1.00 36.88 ATOM 794 HB2 LEU 51 -7.655 35.572 2.497 1.00 4.10 ATOM 795 CG LEU 51 -8.472 33.615 2.755 1.00 10.40 ATOM 796 HG LEU 51 -8.160 32.591 2.600 1.00 62.45 ATOM 797 CD1 LEU 51 -8.750 33.797 4.244 1.00 40.12 ATOM 798 HD11 LEU 51 -9.535 33.121 4.551 1.00 13.20 ATOM 799 HD12 LEU 51 -9.059 34.815 4.434 1.00 44.34 ATOM 800 HD13 LEU 51 -7.852 33.583 4.807 1.00 15.31 ATOM 801 CD2 LEU 51 -9.738 33.850 1.932 1.00 51.23 ATOM 802 HD21 LEU 51 -9.525 33.681 0.885 1.00 24.03 ATOM 803 HD22 LEU 51 -10.076 34.867 2.069 1.00 14.11 ATOM 804 HD23 LEU 51 -10.510 33.168 2.256 1.00 71.44 ATOM 805 C LEU 51 -5.475 32.902 2.641 1.00 32.53 ATOM 806 O LEU 51 -5.445 32.047 3.529 1.00 65.52 ATOM 807 N LEU 52 -5.068 32.664 1.396 1.00 42.12 ATOM 808 HN LEU 52 -5.122 33.386 0.731 1.00 36.88 ATOM 809 CA LEU 52 -4.544 31.354 0.985 1.00 12.43 ATOM 810 HA LEU 52 -5.313 30.619 1.179 1.00 24.43 ATOM 811 CB LEU 52 -4.234 31.359 -0.519 1.00 72.33 ATOM 812 HB1 LEU 52 -3.829 30.393 -0.787 1.00 36.88 ATOM 813 HB2 LEU 52 -3.477 32.110 -0.705 1.00 40.41 ATOM 814 CG LEU 52 -5.435 31.649 -1.436 1.00 61.33 ATOM 815 HG LEU 52 -5.836 32.622 -1.191 1.00 20.23 ATOM 816 CD1 LEU 52 -5.003 31.683 -2.898 1.00 53.43 ATOM 817 HD11 LEU 52 -4.586 30.725 -3.177 1.00 71.04 ATOM 818 HD12 LEU 52 -4.258 32.454 -3.036 1.00 31.34 ATOM 819 HD13 LEU 52 -5.859 31.896 -3.521 1.00 73.14 ATOM 820 CD2 LEU 52 -6.541 30.618 -1.222 1.00 40.21 ATOM 821 HD21 LEU 52 -6.163 29.629 -1.439 1.00 51.20 ATOM 822 HD22 LEU 52 -7.369 30.837 -1.880 1.00 2.34 ATOM 823 HD23 LEU 52 -6.878 30.659 -0.197 1.00 53.04 ATOM 824 C LEU 52 -3.280 30.967 1.775 1.00 72.40 ATOM 825 O LEU 52 -3.123 29.822 2.196 1.00 43.23 ATOM 826 N ALA 53 -2.385 31.934 1.975 1.00 74.34 ATOM 827 HN ALA 53 -2.583 32.839 1.653 1.00 36.88 ATOM 828 CA ALA 53 -1.109 31.684 2.663 1.00 71.53 ATOM 829 HA ALA 53 -0.705 30.756 2.282 1.00 31.52 ATOM 830 CB ALA 53 -0.118 32.796 2.332 1.00 5.42 ATOM 831 HB1 ALA 53 -0.037 32.898 1.258 1.00 24.02 ATOM 832 HB2 ALA 53 0.852 32.552 2.742 1.00 15.31 ATOM 833 HB3 ALA 53 -0.464 33.728 2.756 1.00 54.24 ATOM 834 C ALA 53 -1.282 31.556 4.188 1.00 15.34 ATOM 835 O ALA 53 -0.559 30.805 4.850 1.00 44.20 ATOM 836 N ARG 54 -2.257 32.273 4.738 1.00 44.44 ATOM 837 HN ARG 54 -2.852 32.785 4.152 1.00 36.88 ATOM 838 CA ARG 54 -2.468 32.319 6.193 1.00 20.41 ATOM 839 HA ARG 54 -1.497 32.405 6.658 1.00 22.50 ATOM 840 CB ARG 54 -3.295 33.556 6.573 1.00 30.52 ATOM 841 HB1 ARG 54 -3.511 33.522 7.631 1.00 36.88 ATOM 842 HB2 ARG 54 -4.229 33.536 6.025 1.00 4.22 ATOM 843 CG ARG 54 -2.591 34.873 6.271 1.00 33.51 ATOM 844 HG1 ARG 54 -2.337 34.902 5.221 1.00 36.88 ATOM 845 HG2 ARG 54 -1.686 34.931 6.861 1.00 50.52 ATOM 846 CD ARG 54 -3.468 36.070 6.600 1.00 61.34 ATOM 847 HD1 ARG 54 -3.640 36.091 7.667 1.00 36.88 ATOM 848 HD2 ARG 54 -4.415 35.958 6.089 1.00 41.23 ATOM 849 NE ARG 54 -2.859 37.334 6.192 1.00 33.22 ATOM 850 HE ARG 54 -2.000 37.295 5.719 1.00 12.10 ATOM 851 CZ ARG 54 -3.403 38.502 6.393 1.00 61.41 ATOM 852 NH1 ARG 54 -4.513 38.608 7.056 1.00 60.25 ATOM 853 HH11 ARG 54 -4.955 37.791 7.423 1.00 60.41 ATOM 854 HH12 ARG 54 -4.926 39.506 7.197 1.00 1.42 ATOM 855 NH2 ARG 54 -2.823 39.566 5.945 1.00 62.54 ATOM 856 HH21 ARG 54 -1.958 39.491 5.447 1.00 42.23 ATOM 857 HH22 ARG 54 -3.243 40.461 6.087 1.00 3.40 ATOM 858 C ARG 54 -3.145 31.052 6.733 1.00 44.12 ATOM 859 O ARG 54 -2.959 30.692 7.894 1.00 54.12 ATOM 860 N TYR 55 -3.939 30.387 5.903 1.00 21.52 ATOM 861 HN TYR 55 -4.053 30.715 4.984 1.00 36.88 ATOM 862 CA TYR 55 -4.650 29.172 6.323 1.00 14.21 ATOM 863 HA TYR 55 -4.530 29.074 7.394 1.00 24.35 ATOM 864 CB TYR 55 -6.145 29.303 6.006 1.00 34.44 ATOM 865 HB1 TYR 55 -6.636 28.363 6.218 1.00 36.88 ATOM 866 HB2 TYR 55 -6.264 29.533 4.956 1.00 71.43 ATOM 867 CG TYR 55 -6.847 30.393 6.807 1.00 65.50 ATOM 868 CD1 TYR 55 -7.656 30.077 7.897 1.00 22.35 ATOM 869 HD1 TYR 55 -7.785 29.040 8.173 1.00 0.32 ATOM 870 CD2 TYR 55 -6.700 31.736 6.474 1.00 15.44 ATOM 871 HD2 TYR 55 -6.075 32.004 5.633 1.00 13.11 ATOM 872 CE1 TYR 55 -8.292 31.064 8.626 1.00 32.30 ATOM 873 HE1 TYR 55 -8.914 30.797 9.468 1.00 44.41 ATOM 874 CE2 TYR 55 -7.332 32.727 7.201 1.00 10.13 ATOM 875 HE2 TYR 55 -7.203 33.764 6.924 1.00 62.41 ATOM 876 CZ TYR 55 -8.128 32.387 8.272 1.00 22.42 ATOM 877 OH TYR 55 -8.758 33.377 8.995 1.00 35.42 ATOM 878 HH TYR 55 -8.804 33.113 9.925 1.00 55.44 ATOM 879 C TYR 55 -4.068 27.917 5.650 1.00 13.55 ATOM 880 O TYR 55 -3.720 27.944 4.471 1.00 11.10 ATOM 881 N PRO 56 -3.939 26.802 6.402 1.00 1.11 ATOM 882 CA PRO 56 -3.407 25.535 5.864 1.00 61.30 ATOM 883 HA PRO 56 -2.429 25.679 5.425 1.00 14.14 ATOM 884 CB PRO 56 -3.280 24.642 7.109 1.00 52.14 ATOM 885 HB1 PRO 56 -2.271 24.695 7.495 1.00 36.88 ATOM 886 HB2 PRO 56 -3.515 23.617 6.854 1.00 45.13 ATOM 887 CG PRO 56 -4.263 25.204 8.083 1.00 44.53 ATOM 888 HG1 PRO 56 -3.939 24.999 9.094 1.00 36.88 ATOM 889 HG2 PRO 56 -5.242 24.776 7.909 1.00 74.23 ATOM 890 CD PRO 56 -4.286 26.689 7.831 1.00 22.13 ATOM 891 HD1 PRO 56 -3.548 27.189 8.444 1.00 36.88 ATOM 892 HD2 PRO 56 -5.271 27.093 8.022 1.00 1.42 ATOM 893 C PRO 56 -4.337 24.891 4.820 1.00 12.52 ATOM 894 O PRO 56 -5.381 24.328 5.162 1.00 24.13 ATOM 895 N LEU 57 -3.958 24.990 3.543 1.00 30.41 ATOM 896 HN LEU 57 -3.110 25.437 3.337 1.00 36.88 ATOM 897 CA LEU 57 -4.773 24.459 2.436 1.00 50.32 ATOM 898 HA LEU 57 -5.552 23.838 2.858 1.00 4.12 ATOM 899 CB LEU 57 -5.427 25.617 1.658 1.00 41.15 ATOM 900 HB1 LEU 57 -6.020 25.194 0.858 1.00 36.88 ATOM 901 HB2 LEU 57 -4.642 26.216 1.213 1.00 12.14 ATOM 902 CG LEU 57 -6.333 26.551 2.476 1.00 4.33 ATOM 903 HG LEU 57 -5.765 26.960 3.300 1.00 41.14 ATOM 904 CD1 LEU 57 -6.813 27.719 1.617 1.00 63.31 ATOM 905 HD11 LEU 57 -7.437 28.372 2.210 1.00 50.43 ATOM 906 HD12 LEU 57 -7.381 27.343 0.778 1.00 54.13 ATOM 907 HD13 LEU 57 -5.959 28.272 1.253 1.00 64.41 ATOM 908 CD2 LEU 57 -7.522 25.784 3.055 1.00 12.13 ATOM 909 HD21 LEU 57 -8.164 26.467 3.592 1.00 20.14 ATOM 910 HD22 LEU 57 -7.164 25.022 3.731 1.00 63.42 ATOM 911 HD23 LEU 57 -8.081 25.321 2.253 1.00 21.34 ATOM 912 C LEU 57 -3.930 23.608 1.468 1.00 75.32 ATOM 913 O LEU 57 -2.773 23.927 1.187 1.00 5.50 ATOM 914 N THR 58 -4.511 22.519 0.967 1.00 55.25 ATOM 915 HN THR 58 -5.394 22.254 1.300 1.00 36.88 ATOM 916 CA THR 58 -3.860 21.699 -0.067 1.00 54.11 ATOM 917 HA THR 58 -2.795 21.693 0.126 1.00 73.12 ATOM 918 CB THR 58 -4.370 20.238 -0.060 1.00 74.42 ATOM 919 HB THR 58 -3.783 19.666 -0.766 1.00 45.04 ATOM 920 OG1 THR 58 -5.750 20.198 -0.463 1.00 3.23 ATOM 921 HG1 THR 58 -6.043 19.281 -0.513 1.00 63.42 ATOM 922 CG2 THR 58 -4.220 19.609 1.323 1.00 54.11 ATOM 923 HG21 THR 58 -3.179 19.622 1.615 1.00 23.42 ATOM 924 HG22 THR 58 -4.571 18.587 1.295 1.00 2.52 ATOM 925 HG23 THR 58 -4.802 20.168 2.042 1.00 24.13 ATOM 926 C THR 58 -4.114 22.290 -1.459 1.00 54.43 ATOM 927 O THR 58 -5.024 23.104 -1.630 1.00 55.21 ATOM 928 N GLU 59 -3.327 21.866 -2.452 1.00 61.40 ATOM 929 HN GLU 59 -2.639 21.193 -2.257 1.00 36.88 ATOM 930 CA GLU 59 -3.457 22.374 -3.832 1.00 43.44 ATOM 931 HA GLU 59 -3.043 23.372 -3.857 1.00 12.31 ATOM 932 CB GLU 59 -2.658 21.485 -4.795 1.00 64.24 ATOM 933 HB1 GLU 59 -2.789 21.856 -5.801 1.00 36.88 ATOM 934 HB2 GLU 59 -3.048 20.478 -4.743 1.00 50.11 ATOM 935 CG GLU 59 -1.165 21.433 -4.499 1.00 12.44 ATOM 936 HG1 GLU 59 -1.025 21.134 -3.470 1.00 36.88 ATOM 937 HG2 GLU 59 -0.746 22.420 -4.642 1.00 32.53 ATOM 938 CD GLU 59 -0.429 20.451 -5.398 1.00 33.44 ATOM 939 OE1 GLU 59 -0.303 19.267 -5.017 1.00 54.03 ATOM 940 OE2 GLU 59 0.023 20.854 -6.491 1.00 43.21 ATOM 941 C GLU 59 -4.929 22.431 -4.289 1.00 63.11 ATOM 942 O GLU 59 -5.391 23.443 -4.824 1.00 75.34 ATOM 943 N SER 60 -5.659 21.340 -4.058 1.00 54.52 ATOM 944 HN SER 60 -5.232 20.571 -3.620 1.00 36.88 ATOM 945 CA SER 60 -7.075 21.246 -4.444 1.00 31.23 ATOM 946 HA SER 60 -7.142 21.474 -5.499 1.00 71.55 ATOM 947 CB SER 60 -7.591 19.817 -4.218 1.00 3.40 ATOM 948 HB1 SER 60 -8.616 19.748 -4.554 1.00 36.88 ATOM 949 HB2 SER 60 -7.541 19.579 -3.164 1.00 21.44 ATOM 950 OG SER 60 -6.813 18.868 -4.939 1.00 73.51 ATOM 951 HG SER 60 -6.163 19.334 -5.482 1.00 2.44 ATOM 952 C SER 60 -7.952 22.247 -3.672 1.00 14.15 ATOM 953 O SER 60 -8.933 22.769 -4.207 1.00 72.21 ATOM 954 N GLN 61 -7.593 22.523 -2.417 1.00 44.14 ATOM 955 HN GLN 61 -6.800 22.084 -2.038 1.00 36.88 ATOM 956 CA GLN 61 -8.352 23.474 -1.597 1.00 43.20 ATOM 957 HA GLN 61 -9.398 23.199 -1.672 1.00 71.31 ATOM 958 CB GLN 61 -7.932 23.390 -0.119 1.00 51.31 ATOM 959 HB1 GLN 61 -8.485 24.130 0.444 1.00 36.88 ATOM 960 HB2 GLN 61 -6.875 23.610 -0.043 1.00 2.43 ATOM 961 CG GLN 61 -8.182 22.023 0.514 1.00 31.42 ATOM 962 HG1 GLN 61 -7.526 21.299 0.051 1.00 36.88 ATOM 963 HG2 GLN 61 -9.208 21.737 0.333 1.00 62.00 ATOM 964 CD GLN 61 -7.936 22.010 2.016 1.00 4.52 ATOM 965 OE1 GLN 61 -6.824 21.774 2.478 1.00 61.41 ATOM 966 NE2 GLN 61 -8.977 22.242 2.791 1.00 75.43 ATOM 967 HE21 GLN 61 -9.843 22.405 2.368 1.00 42.14 ATOM 968 HE22 GLN 61 -8.841 22.236 3.759 1.00 40.35 ATOM 969 C GLN 61 -8.198 24.913 -2.123 1.00 72.43 ATOM 970 O GLN 61 -9.177 25.656 -2.194 1.00 1.30 ATOM 971 N LEU 62 -6.977 25.301 -2.513 1.00 10.52 ATOM 972 HN LEU 62 -6.224 24.678 -2.418 1.00 36.88 ATOM 973 CA LEU 62 -6.749 26.639 -3.095 1.00 32.44 ATOM 974 HA LEU 62 -7.096 27.368 -2.375 1.00 1.51 ATOM 975 CB LEU 62 -5.257 26.901 -3.387 1.00 21.21 ATOM 976 HB1 LEU 62 -5.190 27.761 -4.039 1.00 36.88 ATOM 977 HB2 LEU 62 -4.865 26.045 -3.918 1.00 25.54 ATOM 978 CG LEU 62 -4.358 27.161 -2.163 1.00 3.44 ATOM 979 HG LEU 62 -4.887 27.798 -1.466 1.00 22.50 ATOM 980 CD1 LEU 62 -4.032 25.865 -1.440 1.00 24.54 ATOM 981 HD11 LEU 62 -3.514 25.196 -2.113 1.00 61.12 ATOM 982 HD12 LEU 62 -4.948 25.398 -1.104 1.00 51.35 ATOM 983 HD13 LEU 62 -3.404 26.074 -0.587 1.00 12.12 ATOM 984 CD2 LEU 62 -3.078 27.888 -2.575 1.00 61.51 ATOM 985 HD21 LEU 62 -3.330 28.842 -3.019 1.00 65.11 ATOM 986 HD22 LEU 62 -2.537 27.289 -3.293 1.00 2.50 ATOM 987 HD23 LEU 62 -2.460 28.052 -1.704 1.00 63.51 ATOM 988 C LEU 62 -7.558 26.817 -4.390 1.00 10.21 ATOM 989 O LEU 62 -8.157 27.872 -4.623 1.00 10.24 ATOM 990 N ALA 63 -7.564 25.780 -5.231 1.00 1.42 ATOM 991 HN ALA 63 -7.009 24.995 -5.023 1.00 36.88 ATOM 992 CA ALA 63 -8.361 25.785 -6.463 1.00 34.25 ATOM 993 HA ALA 63 -8.004 26.596 -7.084 1.00 62.50 ATOM 994 CB ALA 63 -8.167 24.479 -7.227 1.00 61.31 ATOM 995 HB1 ALA 63 -8.691 24.531 -8.171 1.00 74.43 ATOM 996 HB2 ALA 63 -8.557 23.657 -6.644 1.00 40.34 ATOM 997 HB3 ALA 63 -7.114 24.322 -7.410 1.00 63.13 ATOM 998 C ALA 63 -9.851 26.011 -6.156 1.00 43.40 ATOM 999 O ALA 63 -10.523 26.807 -6.818 1.00 35.05 ATOM 1000 N LEU 64 -10.355 25.311 -5.138 1.00 50.40 ATOM 1001 HN LEU 64 -9.784 24.656 -4.683 1.00 36.88 ATOM 1002 CA LEU 64 -11.742 25.481 -4.689 1.00 12.44 ATOM 1003 HA LEU 64 -12.389 25.244 -5.523 1.00 43.11 ATOM 1004 CB LEU 64 -12.056 24.524 -3.531 1.00 71.33 ATOM 1005 HB1 LEU 64 -11.367 24.729 -2.721 1.00 36.88 ATOM 1006 HB2 LEU 64 -11.887 23.511 -3.875 1.00 2.03 ATOM 1007 CG LEU 64 -13.491 24.618 -2.981 1.00 14.13 ATOM 1008 HG LEU 64 -13.707 25.653 -2.748 1.00 43.51 ATOM 1009 CD1 LEU 64 -14.509 24.162 -4.026 1.00 21.02 ATOM 1010 HD11 LEU 64 -14.310 23.137 -4.303 1.00 21.25 ATOM 1011 HD12 LEU 64 -14.433 24.792 -4.901 1.00 44.11 ATOM 1012 HD13 LEU 64 -15.506 24.237 -3.616 1.00 21.33 ATOM 1013 CD2 LEU 64 -13.631 23.811 -1.695 1.00 22.25 ATOM 1014 HD21 LEU 64 -13.355 22.784 -1.880 1.00 40.11 ATOM 1015 HD22 LEU 64 -14.655 23.852 -1.355 1.00 74.33 ATOM 1016 HD23 LEU 64 -12.984 24.227 -0.937 1.00 23.22 ATOM 1017 C LEU 64 -12.015 26.928 -4.251 1.00 73.13 ATOM 1018 O LEU 64 -12.983 27.541 -4.692 1.00 53.43 ATOM 1019 N VAL 65 -11.154 27.464 -3.386 1.00 24.52 ATOM 1020 HN VAL 65 -10.399 26.921 -3.071 1.00 36.88 ATOM 1021 CA VAL 65 -11.298 28.842 -2.893 1.00 32.12 ATOM 1022 HA VAL 65 -12.212 28.890 -2.315 1.00 34.41 ATOM 1023 CB VAL 65 -10.117 29.232 -1.965 1.00 20.43 ATOM 1024 HB VAL 65 -9.198 29.134 -2.527 1.00 51.12 ATOM 1025 CG1 VAL 65 -10.237 30.679 -1.497 1.00 61.41 ATOM 1026 HG11 VAL 65 -11.157 30.806 -0.943 1.00 12.24 ATOM 1027 HG12 VAL 65 -10.242 31.339 -2.355 1.00 24.13 ATOM 1028 HG13 VAL 65 -9.399 30.924 -0.861 1.00 32.13 ATOM 1029 CG2 VAL 65 -10.044 28.290 -0.768 1.00 61.31 ATOM 1030 HG21 VAL 65 -9.215 28.573 -0.135 1.00 71.43 ATOM 1031 HG22 VAL 65 -9.903 27.276 -1.113 1.00 14.24 ATOM 1032 HG23 VAL 65 -10.963 28.352 -0.203 1.00 60.12 ATOM 1033 C VAL 65 -11.397 29.849 -4.056 1.00 3.02 ATOM 1034 O VAL 65 -12.217 30.772 -4.027 1.00 61.20 ATOM 1035 N ARG 66 -10.564 29.656 -5.081 1.00 3.34 ATOM 1036 HN ARG 66 -9.893 28.940 -5.021 1.00 36.88 ATOM 1037 CA ARG 66 -10.618 30.484 -6.295 1.00 13.10 ATOM 1038 HA ARG 66 -10.475 31.516 -5.999 1.00 71.24 ATOM 1039 CB ARG 66 -9.499 30.087 -7.269 1.00 42.04 ATOM 1040 HB1 ARG 66 -9.687 30.557 -8.226 1.00 36.88 ATOM 1041 HB2 ARG 66 -9.517 29.014 -7.400 1.00 14.42 ATOM 1042 CG ARG 66 -8.102 30.488 -6.810 1.00 44.21 ATOM 1043 HG1 ARG 66 -7.914 30.058 -5.835 1.00 36.88 ATOM 1044 HG2 ARG 66 -8.049 31.566 -6.745 1.00 32.44 ATOM 1045 CD ARG 66 -7.030 30.001 -7.781 1.00 44.54 ATOM 1046 HD1 ARG 66 -6.998 28.919 -7.749 1.00 36.88 ATOM 1047 HD2 ARG 66 -6.074 30.395 -7.468 1.00 73.21 ATOM 1048 NE ARG 66 -7.290 30.427 -9.158 1.00 40.45 ATOM 1049 HE ARG 66 -8.181 30.766 -9.370 1.00 31.40 ATOM 1050 CZ ARG 66 -6.408 30.367 -10.119 1.00 42.14 ATOM 1051 NH1 ARG 66 -5.205 29.955 -9.887 1.00 5.13 ATOM 1052 HH11 ARG 66 -4.937 29.681 -8.966 1.00 5.43 ATOM 1053 HH12 ARG 66 -4.541 29.914 -10.634 1.00 54.33 ATOM 1054 NH2 ARG 66 -6.730 30.726 -11.317 1.00 22.02 ATOM 1055 HH21 ARG 66 -7.651 31.050 -11.510 1.00 42.13 ATOM 1056 HH22 ARG 66 -6.049 30.681 -12.048 1.00 45.15 ATOM 1057 C ARG 66 -11.976 30.361 -7.002 1.00 4.15 ATOM 1058 O ARG 66 -12.541 31.355 -7.467 1.00 62.22 ATOM 1059 N ASP 67 -12.488 29.137 -7.090 1.00 20.25 ATOM 1060 HN ASP 67 -11.985 28.381 -6.716 1.00 36.88 ATOM 1061 CA ASP 67 -13.776 28.888 -7.735 1.00 0.50 ATOM 1062 HA ASP 67 -13.765 29.395 -8.691 1.00 20.20 ATOM 1063 CB ASP 67 -13.965 27.386 -7.972 1.00 11.33 ATOM 1064 HB1 ASP 67 -14.121 26.893 -7.022 1.00 36.88 ATOM 1065 HB2 ASP 67 -13.073 26.987 -8.434 1.00 61.31 ATOM 1066 CG ASP 67 -15.150 27.085 -8.873 1.00 22.54 ATOM 1067 OD1 ASP 67 -14.975 27.068 -10.109 1.00 62.22 ATOM 1068 OD2 ASP 67 -16.262 26.867 -8.355 1.00 42.21 ATOM 1069 C ASP 67 -14.935 29.455 -6.893 1.00 54.03 ATOM 1070 O ASP 67 -15.925 29.948 -7.432 1.00 70.44 ATOM 1071 N ILE 68 -14.795 29.397 -5.567 1.00 3.33 ATOM 1072 HN ILE 68 -13.994 28.974 -5.193 1.00 36.88 ATOM 1073 CA ILE 68 -15.804 29.950 -4.656 1.00 1.11 ATOM 1074 HA ILE 68 -16.751 29.486 -4.899 1.00 73.34 ATOM 1075 CB ILE 68 -15.478 29.631 -3.171 1.00 61.14 ATOM 1076 HB ILE 68 -14.480 29.989 -2.961 1.00 52.33 ATOM 1077 CG1 ILE 68 -15.524 28.111 -2.926 1.00 53.43 ATOM 1078 HG11 ILE 68 -14.814 27.625 -3.581 1.00 36.88 ATOM 1079 HG12 ILE 68 -16.516 27.748 -3.150 1.00 42.44 ATOM 1080 CG2 ILE 68 -16.446 30.357 -2.234 1.00 10.45 ATOM 1081 HG21 ILE 68 -16.208 30.113 -1.208 1.00 13.22 ATOM 1082 HG22 ILE 68 -17.458 30.048 -2.449 1.00 42.31 ATOM 1083 HG23 ILE 68 -16.358 31.424 -2.378 1.00 1.03 ATOM 1084 CD1 ILE 68 -15.196 27.704 -1.502 1.00 32.24 ATOM 1085 HD11 ILE 68 -15.903 28.159 -0.823 1.00 52.04 ATOM 1086 HD12 ILE 68 -14.197 28.032 -1.254 1.00 35.41 ATOM 1087 HD13 ILE 68 -15.253 26.630 -1.411 1.00 31.42 ATOM 1088 C ILE 68 -15.944 31.468 -4.844 1.00 25.42 ATOM 1089 O ILE 68 -17.054 31.996 -4.884 1.00 11.12 ATOM 1090 N ARG 69 -14.814 32.167 -4.962 1.00 14.25 ATOM 1091 HN ARG 69 -13.952 31.712 -4.831 1.00 36.88 ATOM 1092 CA ARG 69 -14.832 33.601 -5.281 1.00 1.11 ATOM 1093 HA ARG 69 -15.456 34.091 -4.546 1.00 12.53 ATOM 1094 CB ARG 69 -13.419 34.204 -5.211 1.00 53.01 ATOM 1095 HB1 ARG 69 -12.736 33.563 -5.751 1.00 36.88 ATOM 1096 HB2 ARG 69 -13.112 34.251 -4.175 1.00 0.23 ATOM 1097 CG ARG 69 -13.332 35.611 -5.807 1.00 54.33 ATOM 1098 HG1 ARG 69 -14.112 36.221 -5.374 1.00 36.88 ATOM 1099 HG2 ARG 69 -13.479 35.549 -6.876 1.00 73.15 ATOM 1100 CD ARG 69 -11.986 36.271 -5.538 1.00 71.15 ATOM 1101 HD1 ARG 69 -11.941 37.202 -6.086 1.00 36.88 ATOM 1102 HD2 ARG 69 -11.198 35.615 -5.880 1.00 43.24 ATOM 1103 NE ARG 69 -11.795 36.542 -4.117 1.00 22.01 ATOM 1104 HE ARG 69 -12.001 35.822 -3.490 1.00 73.23 ATOM 1105 CZ ARG 69 -11.375 37.676 -3.628 1.00 43.32 ATOM 1106 NH1 ARG 69 -11.098 38.678 -4.400 1.00 64.11 ATOM 1107 HH11 ARG 69 -11.200 38.592 -5.390 1.00 34.03 ATOM 1108 HH12 ARG 69 -10.793 39.541 -4.002 1.00 53.13 ATOM 1109 NH2 ARG 69 -11.243 37.807 -2.354 1.00 50.42 ATOM 1110 HH21 ARG 69 -11.464 37.043 -1.753 1.00 25.22 ATOM 1111 HH22 ARG 69 -10.923 38.669 -1.976 1.00 54.00 ATOM 1112 C ARG 69 -15.436 33.844 -6.670 1.00 3.34 ATOM 1113 O ARG 69 -16.233 34.760 -6.862 1.00 72.01 ATOM 1114 N ARG 70 -15.046 33.013 -7.629 1.00 20.05 ATOM 1115 HN ARG 70 -14.387 32.319 -7.411 1.00 36.88 ATOM 1116 CA ARG 70 -15.560 33.091 -9.000 1.00 75.04 ATOM 1117 HA ARG 70 -15.275 34.048 -9.409 1.00 65.41 ATOM 1118 CB ARG 70 -14.908 31.976 -9.827 1.00 54.11 ATOM 1119 HB1 ARG 70 -15.258 31.022 -9.454 1.00 36.88 ATOM 1120 HB2 ARG 70 -13.837 32.029 -9.688 1.00 41.44 ATOM 1121 CG ARG 70 -15.186 32.031 -11.325 1.00 60.10 ATOM 1122 HG1 ARG 70 -14.952 33.021 -11.693 1.00 36.88 ATOM 1123 HG2 ARG 70 -16.231 31.814 -11.501 1.00 21.24 ATOM 1124 CD ARG 70 -14.332 31.007 -12.069 1.00 14.14 ATOM 1125 HD1 ARG 70 -14.557 30.023 -11.680 1.00 36.88 ATOM 1126 HD2 ARG 70 -13.290 31.231 -11.886 1.00 70.30 ATOM 1127 NE ARG 70 -14.572 31.011 -13.511 1.00 24.13 ATOM 1128 HE ARG 70 -15.502 31.053 -13.814 1.00 42.12 ATOM 1129 CZ ARG 70 -13.633 30.926 -14.413 1.00 22.21 ATOM 1130 NH1 ARG 70 -12.386 30.909 -14.064 1.00 4.52 ATOM 1131 HH11 ARG 70 -12.139 30.967 -13.103 1.00 74.42 ATOM 1132 HH12 ARG 70 -11.675 30.824 -14.760 1.00 61.42 ATOM 1133 NH2 ARG 70 -13.945 30.872 -15.665 1.00 4.15 ATOM 1134 HH21 ARG 70 -14.905 30.892 -15.938 1.00 51.43 ATOM 1135 HH22 ARG 70 -13.227 30.823 -16.356 1.00 40.02 ATOM 1136 C ARG 70 -17.099 32.974 -9.028 1.00 1.43 ATOM 1137 O ARG 70 -17.779 33.707 -9.748 1.00 65.33 ATOM 1138 N ARG 71 -17.637 32.056 -8.223 1.00 75.32 ATOM 1139 HN ARG 71 -17.040 31.472 -7.707 1.00 36.88 ATOM 1140 CA ARG 71 -19.092 31.880 -8.093 1.00 71.12 ATOM 1141 HA ARG 71 -19.516 31.876 -9.089 1.00 73.41 ATOM 1142 CB ARG 71 -19.398 30.534 -7.414 1.00 70.12 ATOM 1143 HB1 ARG 71 -20.469 30.441 -7.286 1.00 36.88 ATOM 1144 HB2 ARG 71 -18.928 30.522 -6.439 1.00 13.20 ATOM 1145 CG ARG 71 -18.901 29.320 -8.197 1.00 62.03 ATOM 1146 HG1 ARG 71 -19.033 28.433 -7.592 1.00 36.88 ATOM 1147 HG2 ARG 71 -17.851 29.451 -8.414 1.00 2.15 ATOM 1148 CD ARG 71 -19.653 29.140 -9.511 1.00 72.33 ATOM 1149 HD1 ARG 71 -19.621 30.071 -10.058 1.00 36.88 ATOM 1150 HD2 ARG 71 -20.681 28.890 -9.292 1.00 43.11 ATOM 1151 NE ARG 71 -19.070 28.086 -10.339 1.00 53.34 ATOM 1152 HE ARG 71 -18.124 28.173 -10.575 1.00 31.15 ATOM 1153 CZ ARG 71 -19.735 27.067 -10.815 1.00 22.24 ATOM 1154 NH1 ARG 71 -20.967 26.867 -10.477 1.00 15.21 ATOM 1155 HH11 ARG 71 -21.418 27.487 -9.844 1.00 51.52 ATOM 1156 HH12 ARG 71 -21.468 26.093 -10.859 1.00 34.31 ATOM 1157 NH2 ARG 71 -19.153 26.227 -11.604 1.00 4.03 ATOM 1158 HH21 ARG 71 -18.195 26.355 -11.851 1.00 32.43 ATOM 1159 HH22 ARG 71 -19.664 25.447 -11.968 1.00 30.25 ATOM 1160 C ARG 71 -19.730 33.026 -7.288 1.00 61.23 ATOM 1161 O ARG 71 -20.736 33.612 -7.700 1.00 51.52 ATOM 1162 N GLY 72 -19.133 33.341 -6.141 1.00 70.40 ATOM 1163 HN GLY 72 -18.330 32.848 -5.875 1.00 36.88 ATOM 1164 CA GLY 72 -19.650 34.397 -5.276 1.00 25.23 ATOM 1165 HA1 GLY 72 -19.034 34.451 -4.391 1.00 36.88 ATOM 1166 HA2 GLY 72 -20.658 34.141 -4.982 1.00 72.01 ATOM 1167 C GLY 72 -19.665 35.769 -5.943 1.00 53.15 ATOM 1168 O GLY 72 -20.573 36.570 -5.713 1.00 33.35 ATOM 1169 N LYS 73 -18.664 36.031 -6.778 1.00 14.44 ATOM 1170 HN LYS 73 -17.961 35.360 -6.896 1.00 36.88 ATOM 1171 CA LYS 73 -18.578 37.287 -7.526 1.00 21.03 ATOM 1172 HA LYS 73 -18.602 38.097 -6.813 1.00 14.12 ATOM 1173 CB LYS 73 -17.253 37.346 -8.306 1.00 73.34 ATOM 1174 HB1 LYS 73 -17.245 36.542 -9.032 1.00 36.88 ATOM 1175 HB2 LYS 73 -16.440 37.188 -7.612 1.00 3.10 ATOM 1176 CG LYS 73 -16.989 38.663 -9.052 1.00 32.45 ATOM 1177 HG1 LYS 73 -17.857 38.899 -9.655 1.00 36.88 ATOM 1178 HG2 LYS 73 -16.137 38.524 -9.702 1.00 62.15 ATOM 1179 CD LYS 73 -16.699 39.844 -8.112 1.00 65.33 ATOM 1180 HD1 LYS 73 -16.089 40.565 -8.641 1.00 36.88 ATOM 1181 HD2 LYS 73 -16.154 39.481 -7.252 1.00 25.30 ATOM 1182 CE LYS 73 -17.969 40.541 -7.624 1.00 35.21 ATOM 1183 HE1 LYS 73 -17.691 41.361 -6.976 1.00 36.88 ATOM 1184 HE2 LYS 73 -18.566 39.833 -7.067 1.00 42.32 ATOM 1185 NZ LYS 73 -18.778 41.071 -8.755 1.00 74.23 ATOM 1186 HZ1 LYS 73 -19.626 41.552 -8.397 1.00 21.42 ATOM 1187 HZ2 LYS 73 -19.075 40.295 -9.377 1.00 14.24 ATOM 1188 HZ3 LYS 73 -18.218 41.749 -9.311 1.00 41.43 ATOM 1189 C LYS 73 -19.771 37.435 -8.482 1.00 12.12 ATOM 1190 O LYS 73 -20.274 38.538 -8.693 1.00 40.35 ATOM 1191 N ASN 74 -20.220 36.316 -9.050 1.00 14.55 ATOM 1192 HN ASN 74 -19.731 35.478 -8.900 1.00 36.88 ATOM 1193 CA ASN 74 -21.417 36.301 -9.899 1.00 72.50 ATOM 1194 HA ASN 74 -21.382 37.177 -10.534 1.00 34.02 ATOM 1195 CB ASN 74 -21.430 35.042 -10.780 1.00 12.52 ATOM 1196 HB1 ASN 74 -21.529 34.168 -10.151 1.00 36.88 ATOM 1197 HB2 ASN 74 -20.499 34.982 -11.323 1.00 33.40 ATOM 1198 CG ASN 74 -22.571 35.043 -11.787 1.00 21.21 ATOM 1199 OD1 ASN 74 -22.428 35.516 -12.908 1.00 45.11 ATOM 1200 ND2 ASN 74 -23.716 34.517 -11.398 1.00 41.23 ATOM 1201 HD21 ASN 74 -23.775 34.156 -10.494 1.00 50.53 ATOM 1202 HD22 ASN 74 -24.460 34.514 -12.035 1.00 74.23 ATOM 1203 C ASN 74 -22.694 36.359 -9.038 1.00 41.22 ATOM 1204 O ASN 74 -23.713 36.914 -9.455 1.00 0.43 ATOM 1205 N LYS 75 -22.626 35.772 -7.839 1.00 42.10 ATOM 1206 HN LYS 75 -21.807 35.290 -7.595 1.00 36.88 ATOM 1207 CA LYS 75 -23.739 35.816 -6.879 1.00 32.34 ATOM 1208 HA LYS 75 -24.603 35.371 -7.352 1.00 24.11 ATOM 1209 CB LYS 75 -23.389 35.012 -5.615 1.00 73.50 ATOM 1210 HB1 LYS 75 -22.471 35.402 -5.200 1.00 36.88 ATOM 1211 HB2 LYS 75 -23.235 33.978 -5.891 1.00 64.00 ATOM 1212 CG LYS 75 -24.468 35.068 -4.532 1.00 21.32 ATOM 1213 HG1 LYS 75 -25.289 34.427 -4.821 1.00 36.88 ATOM 1214 HG2 LYS 75 -24.823 36.085 -4.448 1.00 12.14 ATOM 1215 CD LYS 75 -23.945 34.619 -3.168 1.00 14.40 ATOM 1216 HD1 LYS 75 -24.714 34.796 -2.426 1.00 36.88 ATOM 1217 HD2 LYS 75 -23.072 35.206 -2.921 1.00 31.12 ATOM 1218 CE LYS 75 -23.565 33.143 -3.142 1.00 53.22 ATOM 1219 HE1 LYS 75 -22.822 32.958 -3.906 1.00 36.88 ATOM 1220 HE2 LYS 75 -24.445 32.550 -3.346 1.00 42.31 ATOM 1221 NZ LYS 75 -23.008 32.742 -1.820 1.00 32.31 ATOM 1222 HZ1 LYS 75 -22.076 33.179 -1.675 1.00 44.40 ATOM 1223 HZ2 LYS 75 -22.903 31.710 -1.770 1.00 30.25 ATOM 1224 HZ3 LYS 75 -23.640 33.049 -1.055 1.00 61.24 ATOM 1225 C LYS 75 -24.075 37.265 -6.484 1.00 34.22 ATOM 1226 O LYS 75 -25.164 37.762 -6.767 1.00 51.22 ATOM 1227 N VAL 76 -23.120 37.935 -5.836 1.00 0.34 ATOM 1228 HN VAL 76 -22.267 37.485 -5.650 1.00 36.88 ATOM 1229 CA VAL 76 -23.304 39.322 -5.392 1.00 42.04 ATOM 1230 HA VAL 76 -24.192 39.351 -4.770 1.00 73.14 ATOM 1231 CB VAL 76 -22.100 39.803 -4.535 1.00 3.34 ATOM 1232 HB VAL 76 -21.994 39.121 -3.701 1.00 41.33 ATOM 1233 CG1 VAL 76 -20.799 39.761 -5.336 1.00 34.44 ATOM 1234 HG11 VAL 76 -19.982 40.096 -4.712 1.00 41.22 ATOM 1235 HG12 VAL 76 -20.880 40.408 -6.199 1.00 42.02 ATOM 1236 HG13 VAL 76 -20.606 38.750 -5.662 1.00 42.01 ATOM 1237 CG2 VAL 76 -22.353 41.202 -3.969 1.00 11.25 ATOM 1238 HG21 VAL 76 -22.472 41.907 -4.780 1.00 44.24 ATOM 1239 HG22 VAL 76 -21.514 41.499 -3.356 1.00 41.44 ATOM 1240 HG23 VAL 76 -23.250 41.191 -3.366 1.00 70.42 ATOM 1241 C VAL 76 -23.512 40.271 -6.586 1.00 1.13 ATOM 1242 O VAL 76 -24.163 41.310 -6.462 1.00 24.51 ATOM 1243 N ALA 77 -22.972 39.895 -7.750 1.00 10.42 ATOM 1244 HN ALA 77 -22.433 39.077 -7.781 1.00 36.88 ATOM 1245 CA ALA 77 -23.148 40.684 -8.975 1.00 72.34 ATOM 1246 HA ALA 77 -22.670 41.643 -8.822 1.00 74.42 ATOM 1247 CB ALA 77 -22.466 40.002 -10.154 1.00 65.22 ATOM 1248 HB1 ALA 77 -21.427 39.830 -9.918 1.00 22.32 ATOM 1249 HB2 ALA 77 -22.535 40.633 -11.029 1.00 22.52 ATOM 1250 HB3 ALA 77 -22.950 39.056 -10.355 1.00 33.24 ATOM 1251 C ALA 77 -24.628 40.918 -9.295 1.00 1.22 ATOM 1252 O ALA 77 -24.979 41.901 -9.938 1.00 15.33 ATOM 1253 N ALA 78 -25.490 40.017 -8.827 1.00 40.05 ATOM 1254 HN ALA 78 -25.148 39.255 -8.312 1.00 36.88 ATOM 1255 CA ALA 78 -26.935 40.130 -9.057 1.00 44.42 ATOM 1256 HA ALA 78 -27.109 40.001 -10.118 1.00 11.24 ATOM 1257 CB ALA 78 -27.667 39.013 -8.323 1.00 13.34 ATOM 1258 HB1 ALA 78 -28.724 39.073 -8.536 1.00 12.02 ATOM 1259 HB2 ALA 78 -27.508 39.114 -7.259 1.00 61.54 ATOM 1260 HB3 ALA 78 -27.290 38.056 -8.653 1.00 72.52 ATOM 1261 C ALA 78 -27.486 41.503 -8.632 1.00 54.44 ATOM 1262 O ALA 78 -28.447 42.002 -9.219 1.00 11.03 ATOM 1263 N GLN 79 -26.862 42.114 -7.626 1.00 55.21 ATOM 1264 HN GLN 79 -26.100 41.665 -7.198 1.00 36.88 ATOM 1265 CA GLN 79 -27.279 43.436 -7.140 1.00 22.40 ATOM 1266 HA GLN 79 -28.352 43.419 -7.004 1.00 5.44 ATOM 1267 CB GLN 79 -26.611 43.736 -5.788 1.00 50.32 ATOM 1268 HB1 GLN 79 -26.966 44.693 -5.431 1.00 36.88 ATOM 1269 HB2 GLN 79 -25.543 43.797 -5.937 1.00 31.23 ATOM 1270 CG GLN 79 -26.878 42.694 -4.705 1.00 13.24 ATOM 1271 HG1 GLN 79 -26.374 42.999 -3.798 1.00 36.88 ATOM 1272 HG2 GLN 79 -26.480 41.743 -5.030 1.00 63.31 ATOM 1273 CD GLN 79 -28.358 42.521 -4.404 1.00 13.52 ATOM 1274 OE1 GLN 79 -29.031 41.670 -4.979 1.00 2.40 ATOM 1275 NE2 GLN 79 -28.880 43.333 -3.509 1.00 73.32 ATOM 1276 HE21 GLN 79 -28.297 43.996 -3.089 1.00 75.22 ATOM 1277 HE22 GLN 79 -29.830 43.243 -3.308 1.00 75.33 ATOM 1278 C GLN 79 -26.922 44.550 -8.143 1.00 53.14 ATOM 1279 O GLN 79 -27.614 45.566 -8.237 1.00 25.51 ATOM 1280 N ASN 80 -25.840 44.349 -8.893 1.00 20.52 ATOM 1281 HN ASN 80 -25.365 43.493 -8.818 1.00 36.88 ATOM 1282 CA ASN 80 -25.328 45.366 -9.823 1.00 4.34 ATOM 1283 HA ASN 80 -26.038 46.181 -9.855 1.00 64.24 ATOM 1284 CB ASN 80 -23.986 45.901 -9.299 1.00 65.50 ATOM 1285 HB1 ASN 80 -24.152 46.391 -8.349 1.00 36.88 ATOM 1286 HB2 ASN 80 -23.591 46.620 -10.002 1.00 54.43 ATOM 1287 CG ASN 80 -22.955 44.799 -9.100 1.00 74.41 ATOM 1288 OD1 ASN 80 -22.855 44.206 -8.028 1.00 2.30 ATOM 1289 ND2 ASN 80 -22.176 44.517 -10.125 1.00 1.55 ATOM 1290 HD21 ASN 80 -22.298 45.024 -10.954 1.00 52.32 ATOM 1291 HD22 ASN 80 -21.506 43.809 -10.016 1.00 3.50 ATOM 1292 C ASN 80 -25.156 44.808 -11.248 1.00 44.04 ATOM 1293 O ASN 80 -24.429 45.379 -12.066 1.00 32.42 ATOM 1294 N TYR 81 -25.843 43.707 -11.541 1.00 10.24 ATOM 1295 HN TYR 81 -26.447 43.333 -10.867 1.00 36.88 ATOM 1296 CA TYR 81 -25.708 43.025 -12.832 1.00 73.44 ATOM 1297 HA TYR 81 -24.652 42.950 -13.052 1.00 51.45 ATOM 1298 CB TYR 81 -26.294 41.607 -12.744 1.00 55.43 ATOM 1299 HB1 TYR 81 -27.373 41.665 -12.780 1.00 36.88 ATOM 1300 HB2 TYR 81 -25.998 41.163 -11.803 1.00 73.23 ATOM 1301 CG TYR 81 -25.834 40.682 -13.858 1.00 64.34 ATOM 1302 CD1 TYR 81 -24.499 40.303 -13.951 1.00 53.32 ATOM 1303 HD1 TYR 81 -23.793 40.682 -13.224 1.00 43.21 ATOM 1304 CD2 TYR 81 -26.724 40.181 -14.805 1.00 61.34 ATOM 1305 HD2 TYR 81 -27.766 40.462 -14.750 1.00 0.14 ATOM 1306 CE1 TYR 81 -24.063 39.460 -14.952 1.00 15.43 ATOM 1307 HE1 TYR 81 -23.020 39.179 -15.005 1.00 3.13 ATOM 1308 CE2 TYR 81 -26.292 39.336 -15.810 1.00 64.54 ATOM 1309 HE2 TYR 81 -26.997 38.957 -16.537 1.00 53.20 ATOM 1310 CZ TYR 81 -24.963 38.979 -15.879 1.00 35.44 ATOM 1311 OH TYR 81 -24.529 38.134 -16.875 1.00 22.02 ATOM 1312 HH TYR 81 -25.017 38.323 -17.689 1.00 14.03 ATOM 1313 C TYR 81 -26.390 43.813 -13.963 1.00 53.52 ATOM 1314 O TYR 81 -27.582 44.125 -13.891 1.00 21.13 ATOM 1315 N ARG 82 -25.620 44.120 -15.004 1.00 10.03 ATOM 1316 HN ARG 82 -24.690 43.821 -15.003 1.00 36.88 ATOM 1317 CA ARG 82 -26.115 44.890 -16.151 1.00 15.13 ATOM 1318 HA ARG 82 -26.556 45.797 -15.765 1.00 72.42 ATOM 1319 CB ARG 82 -24.936 45.266 -17.061 1.00 3.33 ATOM 1320 HB1 ARG 82 -25.314 45.766 -17.941 1.00 36.88 ATOM 1321 HB2 ARG 82 -24.422 44.362 -17.360 1.00 52.14 ATOM 1322 CG ARG 82 -23.932 46.191 -16.372 1.00 14.22 ATOM 1323 HG1 ARG 82 -23.654 45.754 -15.423 1.00 36.88 ATOM 1324 HG2 ARG 82 -24.403 47.148 -16.199 1.00 14.30 ATOM 1325 CD ARG 82 -22.671 46.409 -17.203 1.00 40.34 ATOM 1326 HD1 ARG 82 -22.955 46.794 -18.172 1.00 36.88 ATOM 1327 HD2 ARG 82 -22.166 45.462 -17.328 1.00 61.45 ATOM 1328 NE ARG 82 -21.758 47.363 -16.563 1.00 73.51 ATOM 1329 HE ARG 82 -22.072 48.283 -16.460 1.00 53.41 ATOM 1330 CZ ARG 82 -20.556 47.075 -16.136 1.00 72.04 ATOM 1331 NH1 ARG 82 -20.091 45.870 -16.238 1.00 11.03 ATOM 1332 HH11 ARG 82 -20.648 45.156 -16.642 1.00 51.34 ATOM 1333 HH12 ARG 82 -19.168 45.661 -15.916 1.00 74.22 ATOM 1334 NH2 ARG 82 -19.827 47.999 -15.595 1.00 34.14 ATOM 1335 HH21 ARG 82 -20.185 48.927 -15.501 1.00 22.14 ATOM 1336 HH22 ARG 82 -18.903 47.787 -15.280 1.00 50.34 ATOM 1337 C ARG 82 -27.196 44.123 -16.933 1.00 52.41 ATOM 1338 O ARG 82 -27.139 42.898 -17.062 1.00 52.53 ATOM 1339 N LYS 83 -28.180 44.859 -17.449 1.00 75.41 ATOM 1340 HN LYS 83 -28.113 45.837 -17.402 1.00 36.88 ATOM 1341 CA LYS 83 -29.362 44.260 -18.085 1.00 23.00 ATOM 1342 HA LYS 83 -29.731 43.492 -17.422 1.00 61.24 ATOM 1343 CB LYS 83 -30.464 45.316 -18.263 1.00 30.42 ATOM 1344 HB1 LYS 83 -31.297 44.865 -18.782 1.00 36.88 ATOM 1345 HB2 LYS 83 -30.075 46.127 -18.864 1.00 71.43 ATOM 1346 CG LYS 83 -30.979 45.899 -16.953 1.00 44.31 ATOM 1347 HG1 LYS 83 -30.162 46.400 -16.451 1.00 36.88 ATOM 1348 HG2 LYS 83 -31.339 45.093 -16.332 1.00 1.42 ATOM 1349 CD LYS 83 -32.117 46.900 -17.165 1.00 31.11 ATOM 1350 HD1 LYS 83 -32.562 47.122 -16.204 1.00 36.88 ATOM 1351 HD2 LYS 83 -32.862 46.449 -17.804 1.00 51.23 ATOM 1352 CE LYS 83 -31.654 48.210 -17.807 1.00 2.55 ATOM 1353 HE1 LYS 83 -30.785 48.571 -17.275 1.00 36.88 ATOM 1354 HE2 LYS 83 -32.448 48.937 -17.719 1.00 12.45 ATOM 1355 NZ LYS 83 -31.305 48.063 -19.247 1.00 42.03 ATOM 1356 HZ1 LYS 83 -30.483 47.438 -19.361 1.00 64.01 ATOM 1357 HZ2 LYS 83 -31.072 48.988 -19.652 1.00 42.32 ATOM 1358 HZ3 LYS 83 -32.110 47.661 -19.774 1.00 2.40 ATOM 1359 C LYS 83 -29.055 43.618 -19.444 1.00 12.41 ATOM 1360 O LYS 83 -28.813 44.311 -20.435 1.00 31.13 ATOM 1361 N ARG 84 -29.072 42.287 -19.488 1.00 74.33 ATOM 1362 HN ARG 84 -29.120 41.786 -18.647 1.00 36.88 ATOM 1363 CA ARG 84 -29.018 41.561 -20.767 1.00 2.35 ATOM 1364 HA ARG 84 -28.444 42.173 -21.453 1.00 63.32 ATOM 1365 CB ARG 84 -28.310 40.186 -20.634 1.00 33.32 ATOM 1366 HB1 ARG 84 -27.295 40.290 -20.993 1.00 36.88 ATOM 1367 HB2 ARG 84 -28.819 39.471 -21.264 1.00 31.22 ATOM 1368 CG ARG 84 -28.248 39.598 -19.222 1.00 52.15 ATOM 1369 HG1 ARG 84 -27.726 40.297 -18.581 1.00 36.88 ATOM 1370 HG2 ARG 84 -27.694 38.672 -19.259 1.00 14.12 ATOM 1371 CD ARG 84 -29.625 39.316 -18.627 1.00 43.52 ATOM 1372 HD1 ARG 84 -30.143 40.256 -18.501 1.00 36.88 ATOM 1373 HD2 ARG 84 -29.492 38.851 -17.660 1.00 51.11 ATOM 1374 NE ARG 84 -30.437 38.438 -19.468 1.00 51.03 ATOM 1375 HE ARG 84 -30.262 38.441 -20.431 1.00 5.23 ATOM 1376 CZ ARG 84 -31.416 37.699 -19.022 1.00 42.30 ATOM 1377 NH1 ARG 84 -31.654 37.609 -17.750 1.00 30.43 ATOM 1378 HH11 ARG 84 -31.080 38.103 -17.097 1.00 73.10 ATOM 1379 HH12 ARG 84 -32.417 37.054 -17.426 1.00 62.12 ATOM 1380 NH2 ARG 84 -32.150 37.035 -19.853 1.00 42.32 ATOM 1381 HH21 ARG 84 -31.966 37.090 -20.833 1.00 22.00 ATOM 1382 HH22 ARG 84 -32.902 36.473 -19.518 1.00 13.43 ATOM 1383 C ARG 84 -30.435 41.413 -21.355 1.00 62.40 ATOM 1384 O ARG 84 -31.001 40.319 -21.406 1.00 43.22 ATOM 1385 N LYS 85 -31.001 42.544 -21.779 1.00 73.52 ATOM 1386 HN LYS 85 -30.472 43.370 -21.755 1.00 36.88 ATOM 1387 CA LYS 85 -32.383 42.604 -22.275 1.00 75.33 ATOM 1388 HA LYS 85 -32.589 41.685 -22.806 1.00 42.44 ATOM 1389 CB LYS 85 -33.354 42.723 -21.084 1.00 31.11 ATOM 1390 HB1 LYS 85 -32.974 43.476 -20.406 1.00 36.88 ATOM 1391 HB2 LYS 85 -33.383 41.775 -20.565 1.00 23.32 ATOM 1392 CG LYS 85 -34.788 43.103 -21.462 1.00 62.10 ATOM 1393 HG1 LYS 85 -34.762 44.015 -22.041 1.00 36.88 ATOM 1394 HG2 LYS 85 -35.351 43.275 -20.557 1.00 24.31 ATOM 1395 CD LYS 85 -35.495 42.022 -22.278 1.00 63.11 ATOM 1396 HD1 LYS 85 -35.582 41.125 -21.681 1.00 36.88 ATOM 1397 HD2 LYS 85 -34.911 41.811 -23.164 1.00 72.30 ATOM 1398 CE LYS 85 -36.890 42.478 -22.703 1.00 12.21 ATOM 1399 HE1 LYS 85 -36.789 43.336 -23.351 1.00 36.88 ATOM 1400 HE2 LYS 85 -37.450 42.759 -21.822 1.00 35.44 ATOM 1401 NZ LYS 85 -37.641 41.416 -23.424 1.00 3.31 ATOM 1402 HZ1 LYS 85 -37.047 40.993 -24.163 1.00 70.44 ATOM 1403 HZ2 LYS 85 -38.491 41.818 -23.869 1.00 14.20 ATOM 1404 HZ3 LYS 85 -37.933 40.670 -22.761 1.00 72.50 ATOM 1405 C LYS 85 -32.585 43.788 -23.238 1.00 5.12 ATOM 1406 O LYS 85 -32.554 44.952 -22.826 1.00 10.13 ATOM 1407 N LEU 86 -32.776 43.486 -24.521 1.00 20.55 ATOM 1408 HN LEU 86 -32.701 42.550 -24.803 1.00 36.88 ATOM 1409 CA LEU 86 -33.080 44.518 -25.525 1.00 4.22 ATOM 1410 HA LEU 86 -32.674 45.455 -25.169 1.00 32.20 ATOM 1411 CB LEU 86 -32.428 44.177 -26.883 1.00 22.21 ATOM 1412 HB1 LEU 86 -31.423 43.824 -26.694 1.00 36.88 ATOM 1413 HB2 LEU 86 -32.360 45.092 -27.457 1.00 5.44 ATOM 1414 CG LEU 86 -33.154 43.123 -27.750 1.00 61.21 ATOM 1415 HG LEU 86 -34.171 43.449 -27.916 1.00 4.12 ATOM 1416 CD1 LEU 86 -32.484 42.996 -29.118 1.00 64.23 ATOM 1417 HD11 LEU 86 -33.016 42.268 -29.713 1.00 12.13 ATOM 1418 HD12 LEU 86 -31.459 42.678 -28.993 1.00 54.21 ATOM 1419 HD13 LEU 86 -32.506 43.952 -29.619 1.00 35.33 ATOM 1420 CD2 LEU 86 -33.208 41.763 -27.056 1.00 65.13 ATOM 1421 HD21 LEU 86 -32.204 41.428 -26.834 1.00 63.42 ATOM 1422 HD22 LEU 86 -33.691 41.047 -27.705 1.00 4.52 ATOM 1423 HD23 LEU 86 -33.771 41.850 -26.138 1.00 45.13 ATOM 1424 C LEU 86 -34.601 44.683 -25.703 1.00 11.40 ATOM 1425 O LEU 86 -35.388 43.887 -25.182 1.00 35.20 ATOM 1426 N GLU 87 -35.014 45.714 -26.439 1.00 51.52 ATOM 1427 HN GLU 87 -34.356 46.356 -26.779 1.00 36.88 ATOM 1428 CA GLU 87 -36.435 45.914 -26.743 1.00 0.13 ATOM 1429 HA GLU 87 -36.975 45.919 -25.805 1.00 24.44 ATOM 1430 CB GLU 87 -36.657 47.261 -27.450 1.00 30.43 ATOM 1431 HB1 GLU 87 -36.065 47.280 -28.354 1.00 36.88 ATOM 1432 HB2 GLU 87 -36.322 48.056 -26.797 1.00 12.21 ATOM 1433 CG GLU 87 -38.117 47.534 -27.827 1.00 22.32 ATOM 1434 HG1 GLU 87 -38.699 47.619 -26.919 1.00 36.88 ATOM 1435 HG2 GLU 87 -38.488 46.701 -28.410 1.00 62.40 ATOM 1436 CD GLU 87 -38.286 48.809 -28.641 1.00 62.13 ATOM 1437 OE1 GLU 87 -38.842 49.799 -28.119 1.00 11.22 ATOM 1438 OE2 GLU 87 -37.842 48.834 -29.809 1.00 12.11 ATOM 1439 C GLU 87 -36.979 44.771 -27.617 1.00 32.32 ATOM 1440 O GLU 87 -36.815 44.772 -28.840 1.00 61.43 ATOM 1441 N THR 88 -37.594 43.779 -26.981 1.00 34.41 ATOM 1442 HN THR 88 -37.617 43.780 -26.001 1.00 36.88 ATOM 1443 CA THR 88 -38.233 42.682 -27.713 1.00 54.35 ATOM 1444 HA THR 88 -37.570 42.399 -28.523 1.00 43.42 ATOM 1445 CB THR 88 -38.462 41.437 -26.821 1.00 14.21 ATOM 1446 HB THR 88 -39.094 40.741 -27.359 1.00 62.52 ATOM 1447 OG1 THR 88 -39.119 41.808 -25.596 1.00 54.45 ATOM 1448 HG1 THR 88 -40.074 41.696 -25.703 1.00 23.04 ATOM 1449 CG2 THR 88 -37.140 40.742 -26.505 1.00 51.43 ATOM 1450 HG21 THR 88 -36.504 41.416 -25.950 1.00 30.55 ATOM 1451 HG22 THR 88 -36.649 40.460 -27.425 1.00 11.24 ATOM 1452 HG23 THR 88 -37.330 39.857 -25.914 1.00 75.43 ATOM 1453 C THR 88 -39.565 43.140 -28.318 1.00 73.44 ATOM 1454 O THR 88 -40.613 43.105 -27.667 1.00 4.20 ATOM 1455 N ILE 89 -39.495 43.606 -29.563 1.00 0.20 ATOM 1456 HN ILE 89 -38.626 43.610 -30.013 1.00 36.88 ATOM 1457 CA ILE 89 -40.663 44.127 -30.279 1.00 13.43 ATOM 1458 HA ILE 89 -41.038 44.969 -29.713 1.00 42.42 ATOM 1459 CB ILE 89 -40.261 44.641 -31.688 1.00 31.30 ATOM 1460 HB ILE 89 -41.166 44.885 -32.225 1.00 33.33 ATOM 1461 CG1 ILE 89 -39.490 43.552 -32.464 1.00 63.24 ATOM 1462 HG11 ILE 89 -40.112 42.670 -32.550 1.00 36.88 ATOM 1463 HG12 ILE 89 -38.593 43.297 -31.920 1.00 50.03 ATOM 1464 CG2 ILE 89 -39.427 45.921 -31.571 1.00 51.33 ATOM 1465 HG21 ILE 89 -38.519 45.713 -31.024 1.00 32.05 ATOM 1466 HG22 ILE 89 -39.994 46.676 -31.047 1.00 3.43 ATOM 1467 HG23 ILE 89 -39.177 46.283 -32.559 1.00 52.25 ATOM 1468 CD1 ILE 89 -39.076 43.963 -33.861 1.00 72.24 ATOM 1469 HD11 ILE 89 -39.953 44.223 -34.436 1.00 5.23 ATOM 1470 HD12 ILE 89 -38.563 43.143 -34.340 1.00 54.14 ATOM 1471 HD13 ILE 89 -38.417 44.817 -33.805 1.00 43.33 ATOM 1472 C ILE 89 -41.792 43.080 -30.400 1.00 34.55 ATOM 1473 O ILE 89 -41.724 42.145 -31.203 1.00 51.45 ATOM 1474 N VAL 90 -42.822 43.238 -29.577 1.00 52.42 ATOM 1475 HN VAL 90 -42.806 43.978 -28.935 1.00 36.88 ATOM 1476 CA VAL 90 -43.975 42.334 -29.593 1.00 71.12 ATOM 1477 HA VAL 90 -43.613 41.347 -29.855 1.00 72.15 ATOM 1478 CB VAL 90 -44.636 42.242 -28.190 1.00 14.13 ATOM 1479 HB VAL 90 -43.907 41.832 -27.505 1.00 60.30 ATOM 1480 CG1 VAL 90 -45.042 43.622 -27.671 1.00 22.14 ATOM 1481 HG11 VAL 90 -45.453 43.526 -26.676 1.00 44.12 ATOM 1482 HG12 VAL 90 -45.788 44.051 -28.326 1.00 70.22 ATOM 1483 HG13 VAL 90 -44.177 44.267 -27.642 1.00 11.10 ATOM 1484 CG2 VAL 90 -45.839 41.301 -28.214 1.00 63.42 ATOM 1485 HG21 VAL 90 -46.265 41.232 -27.222 1.00 51.14 ATOM 1486 HG22 VAL 90 -45.524 40.321 -28.539 1.00 61.11 ATOM 1487 HG23 VAL 90 -46.585 41.683 -28.897 1.00 73.33 ATOM 1488 C VAL 90 -45.017 42.764 -30.641 1.00 2.42 ATOM 1489 O VAL 90 -45.457 43.917 -30.664 1.00 53.02 ATOM 1490 N GLN 91 -45.402 41.831 -31.512 1.00 54.13 ATOM 1491 HN GLN 91 -45.021 40.929 -31.441 1.00 36.88 ATOM 1492 HA GLN 91 -46.541 43.174 -32.607 1.00 0.12 ATOM 1493 CB GLN 91 -45.855 41.628 -33.926 1.00 30.44 ATOM 1494 HB1 GLN 91 -45.729 40.553 -33.897 1.00 36.88 ATOM 1495 HB2 GLN 91 -44.893 42.088 -34.103 1.00 3.15 ATOM 1496 CG GLN 91 -46.774 41.970 -35.094 1.00 31.43 ATOM 1497 HG1 GLN 91 -46.906 43.043 -35.131 1.00 36.88 ATOM 1498 HG2 GLN 91 -47.732 41.498 -34.931 1.00 61.22 ATOM 1499 CD GLN 91 -46.227 41.501 -36.426 1.00 41.31 ATOM 1500 OE1 GLN 91 -46.507 40.397 -36.876 1.00 71.34 ATOM 1501 NE2 GLN 91 -45.434 42.331 -37.064 1.00 15.13 ATOM 1502 HE21 GLN 91 -45.239 43.196 -36.652 1.00 21.43 ATOM 1503 HE22 GLN 91 -45.075 42.048 -37.929 1.00 71.15 ATOM 1504 CA GLN 91 -46.389 42.104 -32.564 1.00 54.15 ATOM 1505 C GLN 91 -47.737 41.426 -32.245 1.00 55.33 ATOM 1506 OT1 GLN 91 -47.856 40.196 -32.447 1.00 36.88 ATOM 1507 OT2 GLN 91 -48.667 42.126 -31.782 1.00 36.88 ATOM 1508 OH2 TIP3 1 -44.331 32.612 -37.184 1.00 0.00 WAT1 ATOM 1509 H1 TIP3 1 -44.779 31.793 -37.401 1.00 0.00 WAT1 ATOM 1510 H2 TIP3 1 -45.011 33.140 -36.705 1.00 0.00 WAT1 ATOM 1511 OH2 TIP3 2 -44.273 33.065 -32.331 1.00 0.00 WAT1 ATOM 1512 H1 TIP3 2 -44.441 33.700 -33.052 1.00 0.00 WAT1 ATOM 1513 H2 TIP3 2 -44.935 33.290 -31.653 1.00 0.00 WAT1 ATOM 1514 OH2 TIP3 3 -41.741 32.073 -32.678 1.00 0.00 WAT1 ATOM 1515 H1 TIP3 3 -42.608 32.502 -32.520 1.00 0.00 WAT1 ATOM 1516 H2 TIP3 3 -41.910 31.143 -32.533 1.00 0.00 WAT1 ATOM 1517 OH2 TIP3 4 -47.227 36.559 -30.631 1.00 0.00 WAT1 ATOM 1518 H1 TIP3 4 -46.612 35.807 -30.738 1.00 0.00 WAT1 ATOM 1519 H2 TIP3 4 -48.111 36.174 -30.825 1.00 0.00 WAT1 ATOM 1520 OH2 TIP3 5 -45.925 34.078 -30.272 1.00 0.00 WAT1 ATOM 1521 H1 TIP3 5 -46.843 33.711 -30.241 1.00 0.00 WAT1 ATOM 1522 H2 TIP3 5 -45.697 34.232 -29.339 1.00 0.00 WAT1 ATOM 1523 OH2 TIP3 6 -46.139 34.008 -35.720 1.00 0.00 WAT1 ATOM 1524 H1 TIP3 6 -45.533 34.486 -35.108 1.00 0.00 WAT1 ATOM 1525 H2 TIP3 6 -46.969 34.486 -35.649 1.00 0.00 WAT1 ATOM 1526 OH2 TIP3 7 -44.541 35.382 -33.980 1.00 0.00 WAT1 ATOM 1527 H1 TIP3 7 -44.596 35.711 -33.057 1.00 0.00 WAT1 ATOM 1528 H2 TIP3 7 -43.841 35.932 -34.381 1.00 0.00 WAT1 ATOM 1529 OH2 TIP3 8 -41.046 36.334 -36.413 1.00 0.00 WAT1 ATOM 1530 H1 TIP3 8 -41.308 35.380 -36.406 1.00 0.00 WAT1 ATOM 1531 H2 TIP3 8 -41.121 36.596 -37.362 1.00 0.00 WAT1 ATOM 1532 OH2 TIP3 9 -52.998 41.606 -30.402 1.00 0.00 WAT1 ATOM 1533 H1 TIP3 9 -52.633 41.168 -29.606 1.00 0.00 WAT1 ATOM 1534 H2 TIP3 9 -53.921 41.280 -30.451 1.00 0.00 WAT1 ATOM 1535 OH2 TIP3 10 -44.330 36.060 -31.393 1.00 0.00 WAT1 ATOM 1536 H1 TIP3 10 -43.359 36.112 -31.272 1.00 0.00 WAT1 ATOM 1537 H2 TIP3 10 -44.590 35.258 -30.902 1.00 0.00 WAT1 ATOM 1538 OH2 TIP3 11 -41.590 40.046 -32.997 1.00 0.00 WAT1 ATOM 1539 H1 TIP3 11 -41.890 40.809 -32.467 1.00 0.00 WAT1 ATOM 1540 H2 TIP3 11 -42.410 39.644 -33.327 1.00 0.00 WAT1 ATOM 1541 OH2 TIP3 12 -40.041 37.712 -32.584 1.00 0.00 WAT1 ATOM 1542 H1 TIP3 12 -40.551 37.211 -31.902 1.00 0.00 WAT1 ATOM 1543 H2 TIP3 12 -40.406 38.620 -32.531 1.00 0.00 WAT1 ATOM 1544 OH2 TIP3 13 -42.382 37.220 -34.241 1.00 0.00 WAT1 ATOM 1545 H1 TIP3 13 -41.611 37.224 -33.653 1.00 0.00 WAT1 ATOM 1546 H2 TIP3 13 -42.020 36.927 -35.106 1.00 0.00 WAT1 ATOM 1547 OH2 TIP3 14 -48.567 38.874 -30.244 1.00 0.00 WAT1 ATOM 1548 H1 TIP3 14 -48.083 38.027 -30.334 1.00 0.00 WAT1 ATOM 1549 H2 TIP3 14 -48.368 39.354 -31.089 1.00 0.00 WAT1 ATOM 1550 OH2 TIP3 15 -52.822 38.741 -41.614 1.00 0.00 WAT1 ATOM 1551 H1 TIP3 15 -53.220 39.530 -41.200 1.00 0.00 WAT1 ATOM 1552 H2 TIP3 15 -51.877 38.968 -41.703 1.00 0.00 WAT1 ATOM 1553 OH2 TIP3 16 -54.326 39.366 -37.565 1.00 0.00 WAT1 ATOM 1554 H1 TIP3 16 -54.666 39.998 -36.901 1.00 0.00 WAT1 ATOM 1555 H2 TIP3 16 -54.063 38.594 -37.041 1.00 0.00 WAT1 ATOM 1556 OH2 TIP3 17 -45.513 38.815 -31.926 1.00 0.00 WAT1 ATOM 1557 H1 TIP3 17 -46.365 39.199 -32.244 1.00 0.00 WAT1 ATOM 1558 H2 TIP3 17 -45.658 37.854 -31.958 1.00 0.00 WAT1 ATOM 1559 OH2 TIP3 18 -41.735 36.777 -30.706 1.00 0.00 WAT1 ATOM 1560 H1 TIP3 18 -42.293 37.563 -30.525 1.00 0.00 WAT1 ATOM 1561 H2 TIP3 18 -41.583 36.387 -29.817 1.00 0.00 WAT1 ATOM 1562 OH2 TIP3 19 -47.673 38.674 -26.858 1.00 0.00 WAT1 ATOM 1563 H1 TIP3 19 -47.291 39.227 -26.142 1.00 0.00 WAT1 ATOM 1564 H2 TIP3 19 -48.574 39.037 -26.977 1.00 0.00 WAT1 ATOM 1565 OH2 TIP3 20 -45.694 38.005 -28.747 1.00 0.00 WAT1 ATOM 1566 H1 TIP3 20 -46.368 38.377 -28.139 1.00 0.00 WAT1 ATOM 1567 H2 TIP3 20 -46.219 37.626 -29.480 1.00 0.00 WAT1 ATOM 1568 OH2 TIP3 21 -47.011 35.996 -26.549 1.00 0.00 WAT1 ATOM 1569 H1 TIP3 21 -47.887 35.602 -26.533 1.00 0.00 WAT1 ATOM 1570 H2 TIP3 21 -47.182 36.958 -26.624 1.00 0.00 WAT1 ATOM 1571 OH2 TIP3 22 -40.087 34.425 -26.979 1.00 0.00 WAT1 ATOM 1572 H1 TIP3 22 -39.193 34.774 -27.205 1.00 0.00 WAT1 ATOM 1573 H2 TIP3 22 -39.982 33.470 -27.012 1.00 0.00 WAT1 ATOM 1574 OH2 TIP3 23 -40.809 39.894 -30.149 1.00 0.00 WAT1 ATOM 1575 H1 TIP3 23 -41.013 40.759 -30.549 1.00 0.00 WAT1 ATOM 1576 H2 TIP3 23 -41.683 39.472 -30.040 1.00 0.00 WAT1 ATOM 1577 OH2 TIP3 24 -40.195 38.903 -19.624 1.00 0.00 WAT1 ATOM 1578 H1 TIP3 24 -40.566 38.415 -20.377 1.00 0.00 WAT1 ATOM 1579 H2 TIP3 24 -40.704 38.583 -18.855 1.00 0.00 WAT1 ATOM 1580 OH2 TIP3 25 -48.608 33.508 -30.291 1.00 0.00 WAT1 ATOM 1581 H1 TIP3 25 -49.125 34.289 -30.594 1.00 0.00 WAT1 ATOM 1582 H2 TIP3 25 -49.264 32.809 -30.208 1.00 0.00 WAT1 ATOM 1583 OH2 TIP3 26 -44.690 35.605 -27.974 1.00 0.00 WAT1 ATOM 1584 H1 TIP3 26 -45.370 35.480 -27.279 1.00 0.00 WAT1 ATOM 1585 H2 TIP3 26 -44.873 36.504 -28.321 1.00 0.00 WAT1 ATOM 1586 OH2 TIP3 27 -51.000 37.853 -29.563 1.00 0.00 WAT1 ATOM 1587 H1 TIP3 27 -51.505 38.561 -29.127 1.00 0.00 WAT1 ATOM 1588 H2 TIP3 27 -50.147 38.276 -29.788 1.00 0.00 WAT1 ATOM 1589 OH2 TIP3 28 -34.297 36.621 -17.858 1.00 0.00 WAT1 ATOM 1590 H1 TIP3 28 -34.435 37.536 -18.200 1.00 0.00 WAT1 ATOM 1591 H2 TIP3 28 -35.195 36.221 -17.878 1.00 0.00 WAT1 ATOM 1592 OH2 TIP3 29 -36.721 35.186 -17.930 1.00 0.00 WAT1 ATOM 1593 H1 TIP3 29 -37.231 34.558 -17.404 1.00 0.00 WAT1 ATOM 1594 H2 TIP3 29 -37.316 35.970 -18.012 1.00 0.00 WAT1 ATOM 1595 OH2 TIP3 30 -49.869 35.828 -31.047 1.00 0.00 WAT1 ATOM 1596 H1 TIP3 30 -50.388 36.383 -30.419 1.00 0.00 WAT1 ATOM 1597 H2 TIP3 30 -50.184 36.118 -31.936 1.00 0.00 WAT1 ATOM 1598 OH2 TIP3 31 -41.870 36.139 -28.073 1.00 0.00 WAT1 ATOM 1599 H1 TIP3 31 -41.326 35.445 -27.631 1.00 0.00 WAT1 ATOM 1600 H2 TIP3 31 -42.791 35.831 -27.957 1.00 0.00 WAT1 ATOM 1601 OH2 TIP3 32 -51.777 45.275 -39.441 1.00 0.00 WAT1 ATOM 1602 H1 TIP3 32 -51.735 46.145 -39.035 1.00 0.00 WAT1 ATOM 1603 H2 TIP3 32 -52.397 45.393 -40.201 1.00 0.00 WAT1 ATOM 1604 OH2 TIP3 33 -42.571 46.970 -39.993 1.00 0.00 WAT1 ATOM 1605 H1 TIP3 33 -42.070 46.572 -39.246 1.00 0.00 WAT1 ATOM 1606 H2 TIP3 33 -42.981 47.752 -39.613 1.00 0.00 WAT1 ATOM 1607 OH2 TIP3 34 -48.674 49.409 -37.935 1.00 0.00 WAT1 ATOM 1608 H1 TIP3 34 -48.776 49.924 -38.739 1.00 0.00 WAT1 ATOM 1609 H2 TIP3 34 -47.881 49.800 -37.497 1.00 0.00 WAT1 ATOM 1610 OH2 TIP3 35 -50.901 42.054 -41.763 1.00 0.00 WAT1 ATOM 1611 H1 TIP3 35 -49.989 42.352 -41.919 1.00 0.00 WAT1 ATOM 1612 H2 TIP3 35 -50.821 41.078 -41.691 1.00 0.00 WAT1 ATOM 1613 OH2 TIP3 36 -43.847 42.915 -39.354 1.00 0.00 WAT1 ATOM 1614 H1 TIP3 36 -44.146 43.081 -40.269 1.00 0.00 WAT1 ATOM 1615 H2 TIP3 36 -43.139 42.237 -39.453 1.00 0.00 WAT1 ATOM 1616 OH2 TIP3 37 -51.673 42.601 -39.194 1.00 0.00 WAT1 ATOM 1617 H1 TIP3 37 -51.350 42.399 -40.099 1.00 0.00 WAT1 ATOM 1618 H2 TIP3 37 -51.758 43.586 -39.187 1.00 0.00 WAT1 ATOM 1619 OH2 TIP3 38 -53.104 38.427 -35.050 1.00 0.00 WAT1 ATOM 1620 H1 TIP3 38 -52.308 38.682 -35.565 1.00 0.00 WAT1 ATOM 1621 H2 TIP3 38 -53.672 39.226 -35.079 1.00 0.00 WAT1 ATOM 1622 OH2 TIP3 39 -49.436 47.517 -36.146 1.00 0.00 WAT1 ATOM 1623 H1 TIP3 39 -49.353 48.275 -36.769 1.00 0.00 WAT1 ATOM 1624 H2 TIP3 39 -48.744 46.912 -36.422 1.00 0.00 WAT1 ATOM 1625 OH2 TIP3 40 -43.388 44.483 -37.066 1.00 0.00 WAT1 ATOM 1626 H1 TIP3 40 -43.626 43.890 -37.811 1.00 0.00 WAT1 ATOM 1627 H2 TIP3 40 -42.626 45.001 -37.413 1.00 0.00 WAT1 ATOM 1628 OH2 TIP3 41 -53.656 40.798 -39.886 1.00 0.00 WAT1 ATOM 1629 H1 TIP3 41 -54.041 40.339 -39.113 1.00 0.00 WAT1 ATOM 1630 H2 TIP3 41 -52.996 41.409 -39.496 1.00 0.00 WAT1 ATOM 1631 OH2 TIP3 42 -46.503 50.380 -36.639 1.00 0.00 WAT1 ATOM 1632 H1 TIP3 42 -46.213 51.101 -36.043 1.00 0.00 WAT1 ATOM 1633 H2 TIP3 42 -46.283 49.564 -36.146 1.00 0.00 WAT1 ATOM 1634 OH2 TIP3 43 -52.654 37.695 -39.103 1.00 0.00 WAT1 ATOM 1635 H1 TIP3 43 -52.763 37.777 -40.073 1.00 0.00 WAT1 ATOM 1636 H2 TIP3 43 -53.329 38.291 -38.738 1.00 0.00 WAT1 ATOM 1637 OH2 TIP3 44 -45.648 51.856 -34.454 1.00 0.00 WAT1 ATOM 1638 H1 TIP3 44 -44.892 52.379 -34.157 1.00 0.00 WAT1 ATOM 1639 H2 TIP3 44 -46.179 51.722 -33.644 1.00 0.00 WAT1 ATOM 1640 OH2 TIP3 45 -49.508 49.012 -45.306 1.00 0.00 WAT1 ATOM 1641 H1 TIP3 45 -49.769 49.866 -45.653 1.00 0.00 WAT1 ATOM 1642 H2 TIP3 45 -49.816 48.383 -45.959 1.00 0.00 WAT1 ATOM 1643 OH2 TIP3 46 -43.232 45.194 -43.854 1.00 0.00 WAT1 ATOM 1644 H1 TIP3 46 -42.601 45.111 -43.108 1.00 0.00 WAT1 ATOM 1645 H2 TIP3 46 -43.042 46.056 -44.230 1.00 0.00 WAT1 ATOM 1646 OH2 TIP3 47 -50.714 42.107 -36.730 1.00 0.00 WAT1 ATOM 1647 H1 TIP3 47 -51.190 42.249 -37.585 1.00 0.00 WAT1 ATOM 1648 H2 TIP3 47 -49.816 42.405 -36.912 1.00 0.00 WAT1 ATOM 1649 OH2 TIP3 48 -46.648 51.372 -31.910 1.00 0.00 WAT1 ATOM 1650 H1 TIP3 48 -46.066 50.896 -31.297 1.00 0.00 WAT1 ATOM 1651 H2 TIP3 48 -47.510 50.916 -31.819 1.00 0.00 WAT1 ATOM 1652 OH2 TIP3 49 -40.117 51.353 -29.970 1.00 0.00 WAT1 ATOM 1653 H1 TIP3 49 -39.637 50.814 -29.293 1.00 0.00 WAT1 ATOM 1654 H2 TIP3 49 -39.634 52.211 -29.984 1.00 0.00 WAT1 ATOM 1655 OH2 TIP3 50 -50.166 39.470 -41.295 1.00 0.00 WAT1 ATOM 1656 H1 TIP3 50 -50.106 39.119 -40.380 1.00 0.00 WAT1 ATOM 1657 H2 TIP3 50 -49.260 39.743 -41.504 1.00 0.00 WAT1 ATOM 1658 OH2 TIP3 51 -50.830 39.453 -36.167 1.00 0.00 WAT1 ATOM 1659 H1 TIP3 51 -50.855 40.411 -36.381 1.00 0.00 WAT1 ATOM 1660 H2 TIP3 51 -50.486 39.424 -35.246 1.00 0.00 WAT1 ATOM 1661 OH2 TIP3 52 -53.616 45.435 -41.418 1.00 0.00 WAT1 ATOM 1662 H1 TIP3 52 -54.162 45.819 -42.105 1.00 0.00 WAT1 ATOM 1663 H2 TIP3 52 -53.690 44.462 -41.568 1.00 0.00 WAT1 ATOM 1664 OH2 TIP3 53 -44.353 40.620 -43.024 1.00 0.00 WAT1 ATOM 1665 H1 TIP3 53 -44.991 40.826 -43.710 1.00 0.00 WAT1 ATOM 1666 H2 TIP3 53 -44.147 41.491 -42.620 1.00 0.00 WAT1 ATOM 1667 OH2 TIP3 54 -47.950 44.623 -31.095 1.00 0.00 WAT1 ATOM 1668 H1 TIP3 54 -47.020 44.398 -30.881 1.00 0.00 WAT1 ATOM 1669 H2 TIP3 54 -48.342 43.764 -31.391 1.00 0.00 WAT1 ATOM 1670 OH2 TIP3 55 -52.640 42.411 -34.776 1.00 0.00 WAT1 ATOM 1671 H1 TIP3 55 -51.922 42.421 -35.441 1.00 0.00 WAT1 ATOM 1672 H2 TIP3 55 -52.169 42.353 -33.914 1.00 0.00 WAT1 ATOM 1673 OH2 TIP3 56 -47.863 40.149 -39.141 1.00 0.00 WAT1 ATOM 1674 H1 TIP3 56 -48.587 39.525 -38.921 1.00 0.00 WAT1 ATOM 1675 H2 TIP3 56 -47.302 40.156 -38.336 1.00 0.00 WAT1 ATOM 1676 OH2 TIP3 57 -53.602 42.770 -41.882 1.00 0.00 WAT1 ATOM 1677 H1 TIP3 57 -52.660 42.553 -42.032 1.00 0.00 WAT1 ATOM 1678 H2 TIP3 57 -53.914 42.067 -41.281 1.00 0.00 WAT1 ATOM 1679 OH2 TIP3 58 -45.310 45.154 -34.715 1.00 0.00 WAT1 ATOM 1680 H1 TIP3 58 -44.403 45.086 -34.373 1.00 0.00 WAT1 ATOM 1681 H2 TIP3 58 -45.200 45.540 -35.595 1.00 0.00 WAT1 ATOM 1682 OH2 TIP3 59 -48.533 49.425 -31.254 1.00 0.00 WAT1 ATOM 1683 H1 TIP3 59 -48.908 49.061 -32.087 1.00 0.00 WAT1 ATOM 1684 H2 TIP3 59 -49.189 49.173 -30.568 1.00 0.00 WAT1 ATOM 1685 OH2 TIP3 60 -44.011 43.199 -42.115 1.00 0.00 WAT1 ATOM 1686 H1 TIP3 60 -43.138 43.527 -41.810 1.00 0.00 WAT1 ATOM 1687 H2 TIP3 60 -44.225 43.781 -42.871 1.00 0.00 WAT1 ATOM 1688 OH2 TIP3 61 -47.861 47.023 -27.939 1.00 0.00 WAT1 ATOM 1689 H1 TIP3 61 -46.989 46.869 -28.357 1.00 0.00 WAT1 ATOM 1690 H2 TIP3 61 -48.363 46.198 -28.124 1.00 0.00 WAT1 ATOM 1691 OH2 TIP3 62 -41.945 48.872 -30.400 1.00 0.00 WAT1 ATOM 1692 H1 TIP3 62 -41.043 49.225 -30.481 1.00 0.00 WAT1 ATOM 1693 H2 TIP3 62 -42.072 48.346 -31.217 1.00 0.00 WAT1 ATOM 1694 OH2 TIP3 63 -46.154 48.389 -34.723 1.00 0.00 WAT1 ATOM 1695 H1 TIP3 63 -46.593 47.665 -34.238 1.00 0.00 WAT1 ATOM 1696 H2 TIP3 63 -46.064 49.091 -34.068 1.00 0.00 WAT1 ATOM 1697 OH2 TIP3 64 -54.680 40.687 -35.120 1.00 0.00 WAT1 ATOM 1698 H1 TIP3 64 -55.204 40.796 -34.316 1.00 0.00 WAT1 ATOM 1699 H2 TIP3 64 -54.000 41.404 -35.061 1.00 0.00 WAT1 ATOM 1700 OH2 TIP3 65 -41.799 41.146 -39.539 1.00 0.00 WAT1 ATOM 1701 H1 TIP3 65 -41.375 40.490 -40.137 1.00 0.00 WAT1 ATOM 1702 H2 TIP3 65 -41.549 40.842 -38.639 1.00 0.00 WAT1 ATOM 1703 OH2 TIP3 66 -48.013 41.613 -41.419 1.00 0.00 WAT1 ATOM 1704 H1 TIP3 66 -47.152 42.024 -41.537 1.00 0.00 WAT1 ATOM 1705 H2 TIP3 66 -47.936 41.135 -40.560 1.00 0.00 WAT1 ATOM 1706 OH2 TIP3 67 -40.727 40.215 -37.191 1.00 0.00 WAT1 ATOM 1707 H1 TIP3 67 -40.959 39.277 -37.126 1.00 0.00 WAT1 ATOM 1708 H2 TIP3 67 -40.393 40.443 -36.298 1.00 0.00 WAT1 ATOM 1709 OH2 TIP3 68 -47.303 46.299 -33.222 1.00 0.00 WAT1 ATOM 1710 H1 TIP3 68 -46.681 45.707 -33.701 1.00 0.00 WAT1 ATOM 1711 H2 TIP3 68 -47.596 45.766 -32.450 1.00 0.00 WAT1 ATOM 1712 OH2 TIP3 69 -51.292 46.528 -32.284 1.00 0.00 WAT1 ATOM 1713 H1 TIP3 69 -51.494 46.028 -33.081 1.00 0.00 WAT1 ATOM 1714 H2 TIP3 69 -50.665 47.218 -32.587 1.00 0.00 WAT1 ATOM 1715 OH2 TIP3 70 -50.060 48.200 -29.274 1.00 0.00 WAT1 ATOM 1716 H1 TIP3 70 -49.258 47.781 -28.909 1.00 0.00 WAT1 ATOM 1717 H2 TIP3 70 -50.736 47.493 -29.245 1.00 0.00 WAT1 ATOM 1718 OH2 TIP3 71 -50.284 39.677 -33.525 1.00 0.00 WAT1 ATOM 1719 H1 TIP3 71 -49.363 39.781 -33.177 1.00 0.00 WAT1 ATOM 1720 H2 TIP3 71 -50.747 40.483 -33.211 1.00 0.00 WAT1 ATOM 1721 OH2 TIP3 72 -49.363 48.071 -33.478 1.00 0.00 WAT1 ATOM 1722 H1 TIP3 72 -48.615 47.442 -33.381 1.00 0.00 WAT1 ATOM 1723 H2 TIP3 72 -49.541 48.080 -34.446 1.00 0.00 WAT1 ATOM 1724 OH2 TIP3 73 -51.823 46.023 -29.713 1.00 0.00 WAT1 ATOM 1725 H1 TIP3 73 -51.696 46.258 -30.668 1.00 0.00 WAT1 ATOM 1726 H2 TIP3 73 -52.561 45.403 -29.720 1.00 0.00 WAT1 ATOM 1727 OH2 TIP3 74 -55.419 40.262 -30.595 1.00 0.00 WAT1 ATOM 1728 H1 TIP3 74 -56.088 39.666 -30.253 1.00 0.00 WAT1 ATOM 1729 H2 TIP3 74 -54.950 39.733 -31.280 1.00 0.00 WAT1 ATOM 1730 OH2 TIP3 75 -50.845 36.977 -33.366 1.00 0.00 WAT1 ATOM 1731 H1 TIP3 75 -50.546 37.908 -33.432 1.00 0.00 WAT1 ATOM 1732 H2 TIP3 75 -51.649 36.949 -33.902 1.00 0.00 WAT1 ATOM 1733 OH2 TIP3 76 -49.114 41.315 -29.302 1.00 0.00 WAT1 ATOM 1734 H1 TIP3 76 -48.861 40.372 -29.421 1.00 0.00 WAT1 ATOM 1735 H2 TIP3 76 -49.028 41.698 -30.210 1.00 0.00 WAT1 ATOM 1736 OH2 TIP3 77 -39.421 49.592 -31.884 1.00 0.00 WAT1 ATOM 1737 H1 TIP3 77 -38.827 49.215 -31.188 1.00 0.00 WAT1 ATOM 1738 H2 TIP3 77 -39.737 50.433 -31.493 1.00 0.00 WAT1 ATOM 1739 OH2 TIP3 78 -44.339 53.020 -31.986 1.00 0.00 WAT1 ATOM 1740 H1 TIP3 78 -45.296 52.849 -31.957 1.00 0.00 WAT1 ATOM 1741 H2 TIP3 78 -43.956 52.314 -31.427 1.00 0.00 WAT1 ATOM 1742 OH2 TIP3 79 -41.167 45.557 -38.141 1.00 0.00 WAT1 ATOM 1743 H1 TIP3 79 -40.619 45.865 -37.380 1.00 0.00 WAT1 ATOM 1744 H2 TIP3 79 -40.644 44.825 -38.535 1.00 0.00 WAT1 ATOM 1745 OH2 TIP3 80 -40.055 46.430 -35.815 1.00 0.00 WAT1 ATOM 1746 H1 TIP3 80 -39.079 46.354 -35.712 1.00 0.00 WAT1 ATOM 1747 H2 TIP3 80 -40.290 47.218 -35.274 1.00 0.00 WAT1 ATOM 1748 OH2 TIP3 81 -41.840 44.805 -41.478 1.00 0.00 WAT1 ATOM 1749 H1 TIP3 81 -41.129 44.429 -40.919 1.00 0.00 WAT1 ATOM 1750 H2 TIP3 81 -42.132 45.609 -40.986 1.00 0.00 WAT1 ATOM 1751 OH2 TIP3 82 -45.618 46.392 -29.471 1.00 0.00 WAT1 ATOM 1752 H1 TIP3 82 -45.548 45.523 -29.908 1.00 0.00 WAT1 ATOM 1753 H2 TIP3 82 -44.698 46.581 -29.164 1.00 0.00 WAT1 ATOM 1754 OH2 TIP3 83 -40.493 39.097 -40.784 1.00 0.00 WAT1 ATOM 1755 H1 TIP3 83 -39.656 38.731 -41.152 1.00 0.00 WAT1 ATOM 1756 H2 TIP3 83 -41.165 38.913 -41.481 1.00 0.00 WAT1 ATOM 1757 OH2 TIP3 84 -38.115 37.876 -41.426 1.00 0.00 WAT1 ATOM 1758 H1 TIP3 84 -37.679 38.373 -40.692 1.00 0.00 WAT1 ATOM 1759 H2 TIP3 84 -37.401 37.378 -41.827 1.00 0.00 WAT1 ATOM 1760 OH2 TIP3 85 -42.006 33.784 -36.282 1.00 0.00 WAT1 ATOM 1761 H1 TIP3 85 -41.831 33.208 -35.528 1.00 0.00 WAT1 ATOM 1762 H2 TIP3 85 -42.794 33.383 -36.713 1.00 0.00 WAT1 ATOM 1763 OH2 TIP3 86 -37.009 39.259 -39.390 1.00 0.00 WAT1 ATOM 1764 H1 TIP3 86 -36.754 38.962 -38.491 1.00 0.00 WAT1 ATOM 1765 H2 TIP3 86 -37.553 40.055 -39.232 1.00 0.00 WAT1 ATOM 1766 OH2 TIP3 87 -50.121 38.592 -38.667 1.00 0.00 WAT1 ATOM 1767 H1 TIP3 87 -50.236 38.830 -37.722 1.00 0.00 WAT1 ATOM 1768 H2 TIP3 87 -50.934 38.078 -38.879 1.00 0.00 WAT1 ATOM 1769 OH2 TIP3 88 -41.138 37.179 -38.960 1.00 0.00 WAT1 ATOM 1770 H1 TIP3 88 -40.896 37.989 -39.458 1.00 0.00 WAT1 ATOM 1771 H2 TIP3 88 -41.116 36.483 -39.624 1.00 0.00 WAT1 ATOM 1772 OH2 TIP3 89 -42.704 38.598 -42.262 1.00 0.00 WAT1 ATOM 1773 H1 TIP3 89 -43.371 38.056 -41.834 1.00 0.00 WAT1 ATOM 1774 H2 TIP3 89 -43.211 39.356 -42.632 1.00 0.00 WAT1 ATOM 1775 OH2 TIP3 90 -51.280 42.022 -32.476 1.00 0.00 WAT1 ATOM 1776 H1 TIP3 90 -51.845 41.989 -31.667 1.00 0.00 WAT1 ATOM 1777 H2 TIP3 90 -50.369 42.178 -32.131 1.00 0.00 WAT1 ATOM 1778 OH2 TIP3 91 -53.807 38.982 -32.392 1.00 0.00 WAT1 ATOM 1779 H1 TIP3 91 -52.924 39.214 -32.076 1.00 0.00 WAT1 ATOM 1780 H2 TIP3 91 -53.647 38.550 -33.253 1.00 0.00 WAT1 ATOM 1781 OH2 TIP3 92 -42.984 55.411 -31.872 1.00 0.00 WAT1 ATOM 1782 H1 TIP3 92 -43.247 55.852 -32.683 1.00 0.00 WAT1 ATOM 1783 H2 TIP3 92 -43.439 54.540 -31.913 1.00 0.00 WAT1 ATOM 1784 OH2 TIP3 93 -39.496 43.064 -18.786 1.00 0.00 WAT1 ATOM 1785 H1 TIP3 93 -38.765 43.691 -18.934 1.00 0.00 WAT1 ATOM 1786 H2 TIP3 93 -40.287 43.545 -19.098 1.00 0.00 WAT1 ATOM 1787 OH2 TIP3 94 -43.827 43.341 -24.351 1.00 0.00 WAT1 ATOM 1788 H1 TIP3 94 -44.535 44.005 -24.462 1.00 0.00 WAT1 ATOM 1789 H2 TIP3 94 -43.319 43.660 -23.579 1.00 0.00 WAT1 ATOM 1790 OH2 TIP3 95 -36.816 39.564 -16.691 1.00 0.00 WAT1 ATOM 1791 H1 TIP3 95 -37.095 38.697 -17.026 1.00 0.00 WAT1 ATOM 1792 H2 TIP3 95 -37.596 40.135 -16.832 1.00 0.00 WAT1 ATOM 1793 OH2 TIP3 96 -42.577 44.459 -22.152 1.00 0.00 WAT1 ATOM 1794 H1 TIP3 96 -43.293 45.094 -22.014 1.00 0.00 WAT1 ATOM 1795 H2 TIP3 96 -42.052 44.510 -21.325 1.00 0.00 WAT1 ATOM 1796 OH2 TIP3 97 -38.266 37.398 -17.976 1.00 0.00 WAT1 ATOM 1797 H1 TIP3 97 -38.384 37.820 -18.840 1.00 0.00 WAT1 ATOM 1798 H2 TIP3 97 -39.103 37.593 -17.500 1.00 0.00 WAT1 ATOM 1799 OH2 TIP3 98 -49.917 45.277 -22.323 1.00 0.00 WAT1 ATOM 1800 H1 TIP3 98 -50.267 45.607 -21.494 1.00 0.00 WAT1 ATOM 1801 H2 TIP3 98 -50.144 45.979 -22.976 1.00 0.00 WAT1 ATOM 1802 OH2 TIP3 99 -49.905 48.126 -26.349 1.00 0.00 WAT1 ATOM 1803 H1 TIP3 99 -49.068 47.768 -26.704 1.00 0.00 WAT1 ATOM 1804 H2 TIP3 99 -50.304 48.581 -27.104 1.00 0.00 WAT1 ATOM 1805 OH2 TIP3 100 -44.262 47.672 -22.109 1.00 0.00 WAT1 ATOM 1806 H1 TIP3 100 -44.110 47.472 -23.059 1.00 0.00 WAT1 ATOM 1807 H2 TIP3 100 -44.829 48.451 -22.121 1.00 0.00 WAT1 ATOM 1808 OH2 TIP3 101 -45.826 45.312 -24.627 1.00 0.00 WAT1 ATOM 1809 H1 TIP3 101 -45.207 46.042 -24.849 1.00 0.00 WAT1 ATOM 1810 H2 TIP3 101 -46.586 45.759 -24.233 1.00 0.00 WAT1 ATOM 1811 OH2 TIP3 102 -43.440 38.855 -30.160 1.00 0.00 WAT1 ATOM 1812 H1 TIP3 102 -44.070 38.785 -30.915 1.00 0.00 WAT1 ATOM 1813 H2 TIP3 102 -43.986 38.620 -29.381 1.00 0.00 WAT1 ATOM 1814 OH2 TIP3 103 -43.051 46.904 -28.807 1.00 0.00 WAT1 ATOM 1815 H1 TIP3 103 -42.670 47.639 -29.335 1.00 0.00 WAT1 ATOM 1816 H2 TIP3 103 -42.660 47.024 -27.916 1.00 0.00 WAT1 ATOM 1817 OH2 TIP3 104 -48.979 42.959 -27.203 1.00 0.00 WAT1 ATOM 1818 H1 TIP3 104 -49.262 43.801 -27.621 1.00 0.00 WAT1 ATOM 1819 H2 TIP3 104 -48.967 42.317 -27.951 1.00 0.00 WAT1 ATOM 1820 OH2 TIP3 105 -49.475 42.742 -23.181 1.00 0.00 WAT1 ATOM 1821 H1 TIP3 105 -49.689 43.625 -22.801 1.00 0.00 WAT1 ATOM 1822 H2 TIP3 105 -48.741 42.922 -23.800 1.00 0.00 WAT1 ATOM 1823 OH2 TIP3 106 -49.458 45.081 -28.847 1.00 0.00 WAT1 ATOM 1824 H1 TIP3 106 -49.013 44.946 -29.713 1.00 0.00 WAT1 ATOM 1825 H2 TIP3 106 -50.376 45.345 -29.086 1.00 0.00 WAT1 ATOM 1826 OH2 TIP3 107 -47.411 43.013 -25.013 1.00 0.00 WAT1 ATOM 1827 H1 TIP3 107 -46.789 43.769 -24.990 1.00 0.00 WAT1 ATOM 1828 H2 TIP3 107 -47.899 43.126 -25.866 1.00 0.00 WAT1 ATOM 1829 OH2 TIP3 108 -43.911 50.813 -30.280 1.00 0.00 WAT1 ATOM 1830 H1 TIP3 108 -43.115 50.241 -30.313 1.00 0.00 WAT1 ATOM 1831 H2 TIP3 108 -44.652 50.179 -30.161 1.00 0.00 WAT1 ATOM 1832 OH2 TIP3 109 -45.946 48.983 -30.382 1.00 0.00 WAT1 ATOM 1833 H1 TIP3 109 -46.892 49.062 -30.639 1.00 0.00 WAT1 ATOM 1834 H2 TIP3 109 -45.870 48.072 -30.029 1.00 0.00 WAT1 ATOM 1835 OH2 TIP3 110 -41.091 54.186 -26.981 1.00 0.00 WAT1 ATOM 1836 H1 TIP3 110 -41.393 55.031 -27.345 1.00 0.00 WAT1 ATOM 1837 H2 TIP3 110 -41.493 53.512 -27.584 1.00 0.00 WAT1 ATOM 1838 OH2 TIP3 111 -44.075 47.465 -24.828 1.00 0.00 WAT1 ATOM 1839 H1 TIP3 111 -43.321 47.229 -25.410 1.00 0.00 WAT1 ATOM 1840 H2 TIP3 111 -44.162 48.443 -24.937 1.00 0.00 WAT1 ATOM 1841 OH2 TIP3 112 -44.313 40.752 -25.023 1.00 0.00 WAT1 ATOM 1842 H1 TIP3 112 -45.277 40.628 -24.903 1.00 0.00 WAT1 ATOM 1843 H2 TIP3 112 -44.158 41.693 -24.772 1.00 0.00 WAT1 ATOM 1844 OH2 TIP3 113 -49.493 40.099 -23.526 1.00 0.00 WAT1 ATOM 1845 H1 TIP3 113 -49.878 39.664 -22.759 1.00 0.00 WAT1 ATOM 1846 H2 TIP3 113 -49.570 41.066 -23.320 1.00 0.00 WAT1 ATOM 1847 OH2 TIP3 114 -47.033 40.352 -24.754 1.00 0.00 WAT1 ATOM 1848 H1 TIP3 114 -47.801 40.067 -24.216 1.00 0.00 WAT1 ATOM 1849 H2 TIP3 114 -47.151 41.326 -24.840 1.00 0.00 WAT1 ATOM 1850 OH2 TIP3 115 -51.520 40.390 -28.422 1.00 0.00 WAT1 ATOM 1851 H1 TIP3 115 -50.760 40.846 -28.839 1.00 0.00 WAT1 ATOM 1852 H2 TIP3 115 -51.242 40.275 -27.490 1.00 0.00 WAT1 ATOM 1853 OH2 TIP3 116 -42.238 52.469 -28.699 1.00 0.00 WAT1 ATOM 1854 H1 TIP3 116 -43.058 52.093 -29.064 1.00 0.00 WAT1 ATOM 1855 H2 TIP3 116 -41.526 51.994 -29.175 1.00 0.00 WAT1 ATOM 1856 OH2 TIP3 117 -50.657 47.381 -23.860 1.00 0.00 WAT1 ATOM 1857 H1 TIP3 117 -51.237 48.120 -23.663 1.00 0.00 WAT1 ATOM 1858 H2 TIP3 117 -50.367 47.545 -24.788 1.00 0.00 WAT1 ATOM 1859 OH2 TIP3 118 -39.950 50.457 -25.778 1.00 0.00 WAT1 ATOM 1860 H1 TIP3 118 -39.599 50.249 -26.680 1.00 0.00 WAT1 ATOM 1861 H2 TIP3 118 -40.030 49.580 -25.349 1.00 0.00 WAT1 ATOM 1862 OH2 TIP3 119 -37.410 52.080 -27.920 1.00 0.00 WAT1 ATOM 1863 H1 TIP3 119 -37.942 52.834 -27.585 1.00 0.00 WAT1 ATOM 1864 H2 TIP3 119 -38.040 51.317 -27.919 1.00 0.00 WAT1 ATOM 1865 OH2 TIP3 120 -39.933 47.907 -24.636 1.00 0.00 WAT1 ATOM 1866 H1 TIP3 120 -40.311 47.690 -23.775 1.00 0.00 WAT1 ATOM 1867 H2 TIP3 120 -38.961 47.793 -24.505 1.00 0.00 WAT1 ATOM 1868 OH2 TIP3 121 -38.472 45.448 -22.077 1.00 0.00 WAT1 ATOM 1869 H1 TIP3 121 -39.068 44.688 -22.255 1.00 0.00 WAT1 ATOM 1870 H2 TIP3 121 -38.127 45.277 -21.174 1.00 0.00 WAT1 ATOM 1871 OH2 TIP3 122 -40.038 43.260 -22.623 1.00 0.00 WAT1 ATOM 1872 H1 TIP3 122 -40.963 43.573 -22.666 1.00 0.00 WAT1 ATOM 1873 H2 TIP3 122 -40.101 42.382 -22.196 1.00 0.00 WAT1 ATOM 1874 OH2 TIP3 123 -41.123 45.022 -19.878 1.00 0.00 WAT1 ATOM 1875 H1 TIP3 123 -40.362 45.591 -20.047 1.00 0.00 WAT1 ATOM 1876 H2 TIP3 123 -41.850 45.651 -19.656 1.00 0.00 WAT1 ATOM 1877 OH2 TIP3 124 -41.549 40.193 -26.612 1.00 0.00 WAT1 ATOM 1878 H1 TIP3 124 -42.000 39.634 -25.946 1.00 0.00 WAT1 ATOM 1879 H2 TIP3 124 -42.218 40.838 -26.870 1.00 0.00 WAT1 ATOM 1880 OH2 TIP3 125 -40.610 38.376 -16.833 1.00 0.00 WAT1 ATOM 1881 H1 TIP3 125 -41.174 38.348 -16.051 1.00 0.00 WAT1 ATOM 1882 H2 TIP3 125 -40.218 39.278 -16.816 1.00 0.00 WAT1 ATOM 1883 OH2 TIP3 126 -40.597 38.488 -23.055 1.00 0.00 WAT1 ATOM 1884 H1 TIP3 126 -41.429 38.528 -23.579 1.00 0.00 WAT1 ATOM 1885 H2 TIP3 126 -39.964 38.035 -23.651 1.00 0.00 WAT1 ATOM 1886 OH2 TIP3 127 -39.979 38.068 -27.273 1.00 0.00 WAT1 ATOM 1887 H1 TIP3 127 -40.632 37.411 -27.595 1.00 0.00 WAT1 ATOM 1888 H2 TIP3 127 -40.516 38.877 -27.109 1.00 0.00 WAT1 ATOM 1889 OH2 TIP3 128 -42.781 38.610 -24.717 1.00 0.00 WAT1 ATOM 1890 H1 TIP3 128 -43.387 39.393 -24.736 1.00 0.00 WAT1 ATOM 1891 H2 TIP3 128 -43.360 37.860 -24.895 1.00 0.00 WAT1 ATOM 1892 OH2 TIP3 129 -49.867 40.407 -26.234 1.00 0.00 WAT1 ATOM 1893 H1 TIP3 129 -49.832 40.276 -25.263 1.00 0.00 WAT1 ATOM 1894 H2 TIP3 129 -49.620 41.345 -26.358 1.00 0.00 WAT1 ATOM 1895 OH2 TIP3 130 -44.132 50.185 -25.096 1.00 0.00 WAT1 ATOM 1896 H1 TIP3 130 -44.744 50.579 -25.725 1.00 0.00 WAT1 ATOM 1897 H2 TIP3 130 -43.398 50.840 -25.036 1.00 0.00 WAT1 ATOM 1898 OH2 TIP3 131 -41.258 55.514 -29.763 1.00 0.00 WAT1 ATOM 1899 H1 TIP3 131 -40.907 54.631 -29.963 1.00 0.00 WAT1 ATOM 1900 H2 TIP3 131 -41.977 55.640 -30.426 1.00 0.00 WAT1 ATOM 1901 OH2 TIP3 132 -20.956 1.469 24.143 1.00 0.00 WAT1 ATOM 1902 H1 TIP3 132 -20.478 2.242 24.481 1.00 0.00 WAT1 ATOM 1903 H2 TIP3 132 -20.911 1.564 23.164 1.00 0.00 WAT1 ATOM 1904 OH2 TIP3 133 -20.564 1.497 21.429 1.00 0.00 WAT1 ATOM 1905 H1 TIP3 133 -19.705 1.928 21.232 1.00 0.00 WAT1 ATOM 1906 H2 TIP3 133 -20.909 1.250 20.566 1.00 0.00 WAT1 ATOM 1907 OH2 TIP3 134 -20.765 20.358 -7.997 1.00 0.00 WAT1 ATOM 1908 H1 TIP3 134 -20.540 20.916 -7.225 1.00 0.00 WAT1 ATOM 1909 H2 TIP3 134 -20.412 20.863 -8.764 1.00 0.00 WAT1 ATOM 1910 OH2 TIP3 135 -28.170 13.563 -0.773 1.00 0.00 WAT1 ATOM 1911 H1 TIP3 135 -28.944 13.112 -0.423 1.00 0.00 WAT1 ATOM 1912 H2 TIP3 135 -27.443 12.915 -0.659 1.00 0.00 WAT1 ATOM 1913 OH2 TIP3 136 -23.838 19.732 4.789 1.00 0.00 WAT1 ATOM 1914 H1 TIP3 136 -23.954 18.863 5.217 1.00 0.00 WAT1 ATOM 1915 H2 TIP3 136 -23.726 20.356 5.537 1.00 0.00 WAT1 ATOM 1916 OH2 TIP3 137 -23.192 12.523 3.098 1.00 0.00 WAT1 ATOM 1917 H1 TIP3 137 -22.896 11.608 3.037 1.00 0.00 WAT1 ATOM 1918 H2 TIP3 137 -23.509 12.736 2.185 1.00 0.00 WAT1 ATOM 1919 OH2 TIP3 138 -27.520 18.751 0.309 1.00 0.00 WAT1 ATOM 1920 H1 TIP3 138 -27.634 17.791 0.148 1.00 0.00 WAT1 ATOM 1921 H2 TIP3 138 -26.602 18.932 0.015 1.00 0.00 WAT1 ATOM 1922 OH2 TIP3 139 -23.917 12.820 0.534 1.00 0.00 WAT1 ATOM 1923 H1 TIP3 139 -23.303 12.593 -0.201 1.00 0.00 WAT1 ATOM 1924 H2 TIP3 139 -24.785 12.482 0.232 1.00 0.00 WAT1 ATOM 1925 OH2 TIP3 140 -17.441 13.457 1.720 1.00 0.00 WAT1 ATOM 1926 H1 TIP3 140 -18.018 13.369 0.920 1.00 0.00 WAT1 ATOM 1927 H2 TIP3 140 -16.718 12.838 1.559 1.00 0.00 WAT1 ATOM 1928 OH2 TIP3 141 -27.349 16.129 -0.564 1.00 0.00 WAT1 ATOM 1929 H1 TIP3 141 -26.399 16.012 -0.458 1.00 0.00 WAT1 ATOM 1930 H2 TIP3 141 -27.710 15.212 -0.531 1.00 0.00 WAT1 ATOM 1931 OH2 TIP3 142 -27.897 20.527 -4.527 1.00 0.00 WAT1 ATOM 1932 H1 TIP3 142 -28.498 19.935 -4.039 1.00 0.00 WAT1 ATOM 1933 H2 TIP3 142 -27.100 20.563 -3.969 1.00 0.00 WAT1 ATOM 1934 OH2 TIP3 143 -21.076 15.036 7.373 1.00 0.00 WAT1 ATOM 1935 H1 TIP3 143 -21.307 14.639 6.507 1.00 0.00 WAT1 ATOM 1936 H2 TIP3 143 -21.900 15.492 7.651 1.00 0.00 WAT1 ATOM 1937 OH2 TIP3 144 -29.061 13.754 6.766 1.00 0.00 WAT1 ATOM 1938 H1 TIP3 144 -28.367 13.327 7.305 1.00 0.00 WAT1 ATOM 1939 H2 TIP3 144 -28.565 14.210 6.059 1.00 0.00 WAT1 ATOM 1940 OH2 TIP3 145 -26.166 21.205 -2.269 1.00 0.00 WAT1 ATOM 1941 H1 TIP3 145 -26.982 21.616 -1.927 1.00 0.00 WAT1 ATOM 1942 H2 TIP3 145 -25.833 21.848 -2.932 1.00 0.00 WAT1 ATOM 1943 OH2 TIP3 146 -27.374 12.482 2.360 1.00 0.00 WAT1 ATOM 1944 H1 TIP3 146 -26.723 12.609 3.083 1.00 0.00 WAT1 ATOM 1945 H2 TIP3 146 -28.135 13.042 2.625 1.00 0.00 WAT1 ATOM 1946 OH2 TIP3 147 -24.072 17.011 5.293 1.00 0.00 WAT1 ATOM 1947 H1 TIP3 147 -24.983 16.697 5.377 1.00 0.00 WAT1 ATOM 1948 H2 TIP3 147 -23.625 16.660 6.091 1.00 0.00 WAT1 ATOM 1949 OH2 TIP3 148 -29.132 16.499 -2.641 1.00 0.00 WAT1 ATOM 1950 H1 TIP3 148 -28.487 16.330 -1.924 1.00 0.00 WAT1 ATOM 1951 H2 TIP3 148 -29.135 15.686 -3.151 1.00 0.00 WAT1 ATOM 1952 OH2 TIP3 149 -26.385 11.625 0.024 1.00 0.00 WAT1 ATOM 1953 H1 TIP3 149 -26.729 11.869 0.922 1.00 0.00 WAT1 ATOM 1954 H2 TIP3 149 -26.514 10.673 -0.029 1.00 0.00 WAT1 ATOM 1955 OH2 TIP3 150 -18.124 17.561 -5.165 1.00 0.00 WAT1 ATOM 1956 H1 TIP3 150 -18.976 17.712 -5.632 1.00 0.00 WAT1 ATOM 1957 H2 TIP3 150 -17.471 18.073 -5.691 1.00 0.00 WAT1 ATOM 1958 OH2 TIP3 151 -25.848 11.317 6.436 1.00 0.00 WAT1 ATOM 1959 H1 TIP3 151 -26.176 11.918 7.143 1.00 0.00 WAT1 ATOM 1960 H2 TIP3 151 -25.915 10.440 6.820 1.00 0.00 WAT1 ATOM 1961 OH2 TIP3 152 -25.584 13.016 4.349 1.00 0.00 WAT1 ATOM 1962 H1 TIP3 152 -25.617 12.366 5.092 1.00 0.00 WAT1 ATOM 1963 H2 TIP3 152 -24.670 12.941 4.006 1.00 0.00 WAT1 ATOM 1964 OH2 TIP3 153 -21.722 13.930 4.939 1.00 0.00 WAT1 ATOM 1965 H1 TIP3 153 -20.865 13.820 4.480 1.00 0.00 WAT1 ATOM 1966 H2 TIP3 153 -22.359 13.451 4.371 1.00 0.00 WAT1 ATOM 1967 OH2 TIP3 154 -18.985 13.532 -0.501 1.00 0.00 WAT1 ATOM 1968 H1 TIP3 154 -18.976 14.497 -0.674 1.00 0.00 WAT1 ATOM 1969 H2 TIP3 154 -19.363 13.149 -1.314 1.00 0.00 WAT1 ATOM 1970 OH2 TIP3 155 -21.183 14.749 1.740 1.00 0.00 WAT1 ATOM 1971 H1 TIP3 155 -20.506 14.380 2.346 1.00 0.00 WAT1 ATOM 1972 H2 TIP3 155 -21.642 13.969 1.395 1.00 0.00 WAT1 ATOM 1973 OH2 TIP3 156 -25.008 19.135 -0.854 1.00 0.00 WAT1 ATOM 1974 H1 TIP3 156 -25.356 19.870 -1.407 1.00 0.00 WAT1 ATOM 1975 H2 TIP3 156 -24.088 19.034 -1.143 1.00 0.00 WAT1 ATOM 1976 OH2 TIP3 157 -27.349 14.994 4.959 1.00 0.00 WAT1 ATOM 1977 H1 TIP3 157 -26.663 14.348 4.667 1.00 0.00 WAT1 ATOM 1978 H2 TIP3 157 -28.010 14.982 4.237 1.00 0.00 WAT1 ATOM 1979 OH2 TIP3 158 -31.707 18.358 2.439 1.00 0.00 WAT1 ATOM 1980 H1 TIP3 158 -31.830 18.685 3.361 1.00 0.00 WAT1 ATOM 1981 H2 TIP3 158 -31.667 19.160 1.908 1.00 0.00 WAT1 ATOM 1982 OH2 TIP3 159 -28.896 19.160 -2.169 1.00 0.00 WAT1 ATOM 1983 H1 TIP3 159 -29.118 18.232 -2.408 1.00 0.00 WAT1 ATOM 1984 H2 TIP3 159 -28.531 19.090 -1.263 1.00 0.00 WAT1 ATOM 1985 OH2 TIP3 160 -21.863 19.371 -4.276 1.00 0.00 WAT1 ATOM 1986 H1 TIP3 160 -21.253 18.875 -4.855 1.00 0.00 WAT1 ATOM 1987 H2 TIP3 160 -22.578 19.660 -4.884 1.00 0.00 WAT1 ATOM 1988 OH2 TIP3 161 -23.508 16.197 7.891 1.00 0.00 WAT1 ATOM 1989 H1 TIP3 161 -23.593 17.095 8.276 1.00 0.00 WAT1 ATOM 1990 H2 TIP3 161 -24.434 15.878 7.822 1.00 0.00 WAT1 ATOM 1991 OH2 TIP3 162 -25.601 15.608 18.163 1.00 0.00 WAT1 ATOM 1992 H1 TIP3 162 -25.387 15.124 18.988 1.00 0.00 WAT1 ATOM 1993 H2 TIP3 162 -26.577 15.522 18.082 1.00 0.00 WAT1 ATOM 1994 OH2 TIP3 163 -27.015 18.186 16.422 1.00 0.00 WAT1 ATOM 1995 H1 TIP3 163 -27.020 17.752 17.294 1.00 0.00 WAT1 ATOM 1996 H2 TIP3 163 -26.815 19.126 16.629 1.00 0.00 WAT1 ATOM 1997 OH2 TIP3 164 -17.071 5.490 22.177 1.00 0.00 WAT1 ATOM 1998 H1 TIP3 164 -17.063 5.926 21.307 1.00 0.00 WAT1 ATOM 1999 H2 TIP3 164 -16.859 6.212 22.807 1.00 0.00 WAT1 ATOM 2000 OH2 TIP3 165 -17.981 9.249 25.093 1.00 0.00 WAT1 ATOM 2001 H1 TIP3 165 -18.671 9.528 24.439 1.00 0.00 WAT1 ATOM 2002 H2 TIP3 165 -17.937 9.984 25.714 1.00 0.00 WAT1 ATOM 2003 OH2 TIP3 166 -25.219 14.420 20.652 1.00 0.00 WAT1 ATOM 2004 H1 TIP3 166 -25.472 13.595 21.079 1.00 0.00 WAT1 ATOM 2005 H2 TIP3 166 -25.902 15.068 20.957 1.00 0.00 WAT1 ATOM 2006 OH2 TIP3 167 -24.112 15.304 15.837 1.00 0.00 WAT1 ATOM 2007 H1 TIP3 167 -23.140 15.302 15.983 1.00 0.00 WAT1 ATOM 2008 H2 TIP3 167 -24.492 15.340 16.741 1.00 0.00 WAT1 ATOM 2009 OH2 TIP3 168 -21.348 15.368 15.829 1.00 0.00 WAT1 ATOM 2010 H1 TIP3 168 -20.790 15.939 16.396 1.00 0.00 WAT1 ATOM 2011 H2 TIP3 168 -20.725 14.956 15.223 1.00 0.00 WAT1 ATOM 2012 OH2 TIP3 169 -20.725 9.557 20.094 1.00 0.00 WAT1 ATOM 2013 H1 TIP3 169 -19.880 9.165 20.397 1.00 0.00 WAT1 ATOM 2014 H2 TIP3 169 -21.232 8.807 19.770 1.00 0.00 WAT1 ATOM 2015 OH2 TIP3 170 -28.384 15.503 18.330 1.00 0.00 WAT1 ATOM 2016 H1 TIP3 170 -28.878 14.864 18.854 1.00 0.00 WAT1 ATOM 2017 H2 TIP3 170 -28.977 16.277 18.277 1.00 0.00 WAT1 ATOM 2018 OH2 TIP3 171 -25.720 16.104 13.885 1.00 0.00 WAT1 ATOM 2019 H1 TIP3 171 -25.121 15.751 14.595 1.00 0.00 WAT1 ATOM 2020 H2 TIP3 171 -26.585 16.160 14.314 1.00 0.00 WAT1 ATOM 2021 OH2 TIP3 172 -25.120 13.614 12.436 1.00 0.00 WAT1 ATOM 2022 H1 TIP3 172 -25.440 14.423 12.866 1.00 0.00 WAT1 ATOM 2023 H2 TIP3 172 -25.864 13.331 11.873 1.00 0.00 WAT1 ATOM 2024 OH2 TIP3 173 -28.314 18.857 12.228 1.00 0.00 WAT1 ATOM 2025 H1 TIP3 173 -28.854 18.341 11.588 1.00 0.00 WAT1 ATOM 2026 H2 TIP3 173 -28.453 19.788 11.962 1.00 0.00 WAT1 ATOM 2027 OH2 TIP3 174 -28.163 21.649 11.848 1.00 0.00 WAT1 ATOM 2028 H1 TIP3 174 -29.142 21.626 11.714 1.00 0.00 WAT1 ATOM 2029 H2 TIP3 174 -27.945 22.606 11.851 1.00 0.00 WAT1 ATOM 2030 OH2 TIP3 175 -23.750 16.957 12.168 1.00 0.00 WAT1 ATOM 2031 H1 TIP3 175 -23.630 16.187 11.600 1.00 0.00 WAT1 ATOM 2032 H2 TIP3 175 -24.497 16.711 12.749 1.00 0.00 WAT1 ATOM 2033 OH2 TIP3 176 -28.294 15.860 9.044 1.00 0.00 WAT1 ATOM 2034 H1 TIP3 176 -29.136 15.607 8.612 1.00 0.00 WAT1 ATOM 2035 H2 TIP3 176 -28.536 16.624 9.600 1.00 0.00 WAT1 ATOM 2036 OH2 TIP3 177 -22.554 12.687 13.746 1.00 0.00 WAT1 ATOM 2037 H1 TIP3 177 -23.334 12.897 13.198 1.00 0.00 WAT1 ATOM 2038 H2 TIP3 177 -22.680 13.215 14.544 1.00 0.00 WAT1 ATOM 2039 OH2 TIP3 178 -27.546 12.858 10.969 1.00 0.00 WAT1 ATOM 2040 H1 TIP3 178 -28.300 13.464 10.975 1.00 0.00 WAT1 ATOM 2041 H2 TIP3 178 -27.925 12.001 11.201 1.00 0.00 WAT1 ATOM 2042 OH2 TIP3 179 -24.281 18.040 18.306 1.00 0.00 WAT1 ATOM 2043 H1 TIP3 179 -24.870 17.262 18.216 1.00 0.00 WAT1 ATOM 2044 H2 TIP3 179 -23.391 17.650 18.441 1.00 0.00 WAT1 ATOM 2045 OH2 TIP3 180 -26.799 13.059 8.282 1.00 0.00 WAT1 ATOM 2046 H1 TIP3 180 -26.934 13.064 9.252 1.00 0.00 WAT1 ATOM 2047 H2 TIP3 180 -26.389 13.929 8.093 1.00 0.00 WAT1 ATOM 2048 OH2 TIP3 181 -26.167 15.617 7.386 1.00 0.00 WAT1 ATOM 2049 H1 TIP3 181 -26.895 15.872 8.002 1.00 0.00 WAT1 ATOM 2050 H2 TIP3 181 -26.616 15.502 6.520 1.00 0.00 WAT1 ATOM 2051 OH2 TIP3 182 -29.944 17.672 10.255 1.00 0.00 WAT1 ATOM 2052 H1 TIP3 182 -30.528 16.988 9.891 1.00 0.00 WAT1 ATOM 2053 H2 TIP3 182 -30.270 18.507 9.848 1.00 0.00 WAT1 ATOM 2054 OH2 TIP3 183 -21.925 16.900 18.933 1.00 0.00 WAT1 ATOM 2055 H1 TIP3 183 -21.133 16.944 18.357 1.00 0.00 WAT1 ATOM 2056 H2 TIP3 183 -21.939 15.964 19.253 1.00 0.00 WAT1 ATOM 2057 OH2 TIP3 184 -23.322 17.291 21.295 1.00 0.00 WAT1 ATOM 2058 H1 TIP3 184 -22.831 17.226 20.448 1.00 0.00 WAT1 ATOM 2059 H2 TIP3 184 -23.459 16.370 21.559 1.00 0.00 WAT1 ATOM 2060 OH2 TIP3 185 -21.530 9.206 11.408 1.00 0.00 WAT1 ATOM 2061 H1 TIP3 185 -22.478 9.363 11.413 1.00 0.00 WAT1 ATOM 2062 H2 TIP3 185 -21.205 9.675 12.209 1.00 0.00 WAT1 ATOM 2063 OH2 TIP3 186 -20.606 10.659 13.520 1.00 0.00 WAT1 ATOM 2064 H1 TIP3 186 -20.277 10.349 14.390 1.00 0.00 WAT1 ATOM 2065 H2 TIP3 186 -21.259 11.362 13.743 1.00 0.00 WAT1 ATOM 2066 OH2 TIP3 187 -18.227 12.926 19.002 1.00 0.00 WAT1 ATOM 2067 H1 TIP3 187 -18.285 13.870 18.760 1.00 0.00 WAT1 ATOM 2068 H2 TIP3 187 -17.392 12.625 18.576 1.00 0.00 WAT1 ATOM 2069 OH2 TIP3 188 -22.348 14.510 20.077 1.00 0.00 WAT1 ATOM 2070 H1 TIP3 188 -21.839 13.665 19.993 1.00 0.00 WAT1 ATOM 2071 H2 TIP3 188 -23.265 14.222 20.225 1.00 0.00 WAT1 ATOM 2072 OH2 TIP3 189 -19.304 8.309 10.114 1.00 0.00 WAT1 ATOM 2073 H1 TIP3 189 -19.083 9.094 9.596 1.00 0.00 WAT1 ATOM 2074 H2 TIP3 189 -20.173 8.531 10.525 1.00 0.00 WAT1 ATOM 2075 OH2 TIP3 190 -29.825 16.733 21.246 1.00 0.00 WAT1 ATOM 2076 H1 TIP3 190 -30.012 17.154 20.384 1.00 0.00 WAT1 ATOM 2077 H2 TIP3 190 -30.386 17.228 21.880 1.00 0.00 WAT1 ATOM 2078 OH2 TIP3 191 -27.181 17.999 19.244 1.00 0.00 WAT1 ATOM 2079 H1 TIP3 191 -27.156 17.087 19.588 1.00 0.00 WAT1 ATOM 2080 H2 TIP3 191 -26.673 18.514 19.903 1.00 0.00 WAT1 ATOM 2081 OH2 TIP3 192 -25.793 18.576 21.538 1.00 0.00 WAT1 ATOM 2082 H1 TIP3 192 -25.605 19.520 21.724 1.00 0.00 WAT1 ATOM 2083 H2 TIP3 192 -24.907 18.169 21.446 1.00 0.00 WAT1 ATOM 2084 OH2 TIP3 193 -30.833 15.323 8.098 1.00 0.00 WAT1 ATOM 2085 H1 TIP3 193 -30.347 14.640 7.578 1.00 0.00 WAT1 ATOM 2086 H2 TIP3 193 -31.574 15.566 7.533 1.00 0.00 WAT1 ATOM 2087 OH2 TIP3 194 -33.648 34.587 -30.600 1.00 0.00 WAT1 ATOM 2088 H1 TIP3 194 -34.316 35.246 -30.319 1.00 0.00 WAT1 ATOM 2089 H2 TIP3 194 -34.147 33.955 -31.125 1.00 0.00 WAT1 ATOM 2090 OH2 TIP3 195 -37.649 37.166 -31.229 1.00 0.00 WAT1 ATOM 2091 H1 TIP3 195 -37.865 37.827 -30.527 1.00 0.00 WAT1 ATOM 2092 H2 TIP3 195 -38.448 37.154 -31.792 1.00 0.00 WAT1 ATOM 2093 OH2 TIP3 196 -33.472 38.168 -26.819 1.00 0.00 WAT1 ATOM 2094 H1 TIP3 196 -33.859 38.497 -27.661 1.00 0.00 WAT1 ATOM 2095 H2 TIP3 196 -32.562 38.524 -26.822 1.00 0.00 WAT1 ATOM 2096 OH2 TIP3 197 -31.406 36.202 -30.707 1.00 0.00 WAT1 ATOM 2097 H1 TIP3 197 -31.772 36.884 -31.302 1.00 0.00 WAT1 ATOM 2098 H2 TIP3 197 -32.084 35.489 -30.718 1.00 0.00 WAT1 ATOM 2099 OH2 TIP3 198 -36.046 37.975 -33.318 1.00 0.00 WAT1 ATOM 2100 H1 TIP3 198 -35.734 38.707 -32.750 1.00 0.00 WAT1 ATOM 2101 H2 TIP3 198 -36.641 37.465 -32.740 1.00 0.00 WAT1 ATOM 2102 OH2 TIP3 199 -34.749 39.834 -31.802 1.00 0.00 WAT1 ATOM 2103 H1 TIP3 199 -34.572 40.752 -32.091 1.00 0.00 WAT1 ATOM 2104 H2 TIP3 199 -33.927 39.345 -32.040 1.00 0.00 WAT1 ATOM 2105 OH2 TIP3 200 -39.110 37.913 -35.263 1.00 0.00 WAT1 ATOM 2106 H1 TIP3 200 -39.204 37.623 -34.334 1.00 0.00 WAT1 ATOM 2107 H2 TIP3 200 -39.675 37.285 -35.768 1.00 0.00 WAT1 ATOM 2108 OH2 TIP3 201 -29.379 33.858 -21.162 1.00 0.00 WAT1 ATOM 2109 H1 TIP3 201 -28.732 33.154 -21.008 1.00 0.00 WAT1 ATOM 2110 H2 TIP3 201 -28.829 34.663 -21.299 1.00 0.00 WAT1 ATOM 2111 OH2 TIP3 202 -33.767 32.200 -21.693 1.00 0.00 WAT1 ATOM 2112 H1 TIP3 202 -33.120 32.920 -21.864 1.00 0.00 WAT1 ATOM 2113 H2 TIP3 202 -34.335 32.554 -20.978 1.00 0.00 WAT1 ATOM 2114 OH2 TIP3 203 -28.004 31.107 -19.791 1.00 0.00 WAT1 ATOM 2115 H1 TIP3 203 -27.449 30.595 -19.171 1.00 0.00 WAT1 ATOM 2116 H2 TIP3 203 -28.143 30.498 -20.546 1.00 0.00 WAT1 ATOM 2117 OH2 TIP3 204 -23.947 25.517 -19.432 1.00 0.00 WAT1 ATOM 2118 H1 TIP3 204 -23.111 25.604 -18.911 1.00 0.00 WAT1 ATOM 2119 H2 TIP3 204 -23.969 24.589 -19.690 1.00 0.00 WAT1 ATOM 2120 OH2 TIP3 205 -18.002 23.520 -12.369 1.00 0.00 WAT1 ATOM 2121 H1 TIP3 205 -17.275 24.162 -12.250 1.00 0.00 WAT1 ATOM 2122 H2 TIP3 205 -18.377 23.753 -13.244 1.00 0.00 WAT1 ATOM 2123 OH2 TIP3 206 -34.274 31.986 -24.444 1.00 0.00 WAT1 ATOM 2124 H1 TIP3 206 -34.869 31.249 -24.606 1.00 0.00 WAT1 ATOM 2125 H2 TIP3 206 -34.127 31.968 -23.476 1.00 0.00 WAT1 ATOM 2126 OH2 TIP3 207 -30.187 31.877 -16.034 1.00 0.00 WAT1 ATOM 2127 H1 TIP3 207 -30.977 32.382 -15.814 1.00 0.00 WAT1 ATOM 2128 H2 TIP3 207 -30.107 31.975 -17.011 1.00 0.00 WAT1 ATOM 2129 OH2 TIP3 208 -22.568 30.627 -21.111 1.00 0.00 WAT1 ATOM 2130 H1 TIP3 208 -23.201 30.602 -20.367 1.00 0.00 WAT1 ATOM 2131 H2 TIP3 208 -22.425 29.689 -21.327 1.00 0.00 WAT1 ATOM 2132 OH2 TIP3 209 -28.418 29.218 -21.757 1.00 0.00 WAT1 ATOM 2133 H1 TIP3 209 -29.271 29.098 -22.244 1.00 0.00 WAT1 ATOM 2134 H2 TIP3 209 -27.746 29.173 -22.447 1.00 0.00 WAT1 ATOM 2135 OH2 TIP3 210 -26.000 25.484 -11.798 1.00 0.00 WAT1 ATOM 2136 H1 TIP3 210 -26.675 26.138 -12.066 1.00 0.00 WAT1 ATOM 2137 H2 TIP3 210 -26.347 24.628 -12.143 1.00 0.00 WAT1 ATOM 2138 OH2 TIP3 211 -28.227 25.246 -14.292 1.00 0.00 WAT1 ATOM 2139 H1 TIP3 211 -28.488 25.896 -13.619 1.00 0.00 WAT1 ATOM 2140 H2 TIP3 211 -27.936 25.783 -15.039 1.00 0.00 WAT1 ATOM 2141 OH2 TIP3 212 -30.178 32.344 -18.737 1.00 0.00 WAT1 ATOM 2142 H1 TIP3 212 -30.325 33.048 -19.386 1.00 0.00 WAT1 ATOM 2143 H2 TIP3 212 -29.368 31.890 -19.059 1.00 0.00 WAT1 ATOM 2144 OH2 TIP3 213 -31.936 34.187 -22.200 1.00 0.00 WAT1 ATOM 2145 H1 TIP3 213 -31.811 34.369 -23.144 1.00 0.00 WAT1 ATOM 2146 H2 TIP3 213 -31.019 34.065 -21.852 1.00 0.00 WAT1 ATOM 2147 OH2 TIP3 214 -34.966 33.609 -19.495 1.00 0.00 WAT1 ATOM 2148 H1 TIP3 214 -35.737 34.089 -19.131 1.00 0.00 WAT1 ATOM 2149 H2 TIP3 214 -34.376 33.486 -18.717 1.00 0.00 WAT1 ATOM 2150 OH2 TIP3 215 -29.302 33.275 -13.784 1.00 0.00 WAT1 ATOM 2151 H1 TIP3 215 -29.235 32.789 -14.627 1.00 0.00 WAT1 ATOM 2152 H2 TIP3 215 -28.502 33.839 -13.765 1.00 0.00 WAT1 ATOM 2153 OH2 TIP3 216 -31.368 37.919 -22.377 1.00 0.00 WAT1 ATOM 2154 H1 TIP3 216 -31.534 38.884 -22.320 1.00 0.00 WAT1 ATOM 2155 H2 TIP3 216 -31.949 37.616 -23.122 1.00 0.00 WAT1 ATOM 2156 OH2 TIP3 217 -37.001 38.894 -23.467 1.00 0.00 WAT1 ATOM 2157 H1 TIP3 217 -36.423 38.433 -22.815 1.00 0.00 WAT1 ATOM 2158 H2 TIP3 217 -37.521 38.175 -23.881 1.00 0.00 WAT1 ATOM 2159 OH2 TIP3 218 -28.919 37.724 -23.458 1.00 0.00 WAT1 ATOM 2160 H1 TIP3 218 -29.082 37.307 -24.313 1.00 0.00 WAT1 ATOM 2161 H2 TIP3 218 -29.812 37.791 -23.048 1.00 0.00 WAT1 ATOM 2162 OH2 TIP3 219 -27.746 36.039 -21.565 1.00 0.00 WAT1 ATOM 2163 H1 TIP3 219 -26.792 36.208 -21.709 1.00 0.00 WAT1 ATOM 2164 H2 TIP3 219 -28.189 36.644 -22.192 1.00 0.00 WAT1 ATOM 2165 OH2 TIP3 220 -23.369 25.525 -11.006 1.00 0.00 WAT1 ATOM 2166 H1 TIP3 220 -24.223 25.699 -11.454 1.00 0.00 WAT1 ATOM 2167 H2 TIP3 220 -23.623 25.346 -10.084 1.00 0.00 WAT1 ATOM 2168 OH2 TIP3 221 -26.890 23.226 -13.032 1.00 0.00 WAT1 ATOM 2169 H1 TIP3 221 -27.469 23.792 -13.596 1.00 0.00 WAT1 ATOM 2170 H2 TIP3 221 -27.440 22.430 -12.848 1.00 0.00 WAT1 ATOM 2171 OH2 TIP3 222 -33.517 25.346 -11.186 1.00 0.00 WAT1 ATOM 2172 H1 TIP3 222 -33.647 24.758 -11.939 1.00 0.00 WAT1 ATOM 2173 H2 TIP3 222 -34.405 25.489 -10.840 1.00 0.00 WAT1 ATOM 2174 OH2 TIP3 223 -25.308 24.398 -16.293 1.00 0.00 WAT1 ATOM 2175 H1 TIP3 223 -25.673 23.548 -16.551 1.00 0.00 WAT1 ATOM 2176 H2 TIP3 223 -24.816 24.208 -15.467 1.00 0.00 WAT1 ATOM 2177 OH2 TIP3 224 -27.428 28.381 -14.794 1.00 0.00 WAT1 ATOM 2178 H1 TIP3 224 -28.287 28.842 -14.895 1.00 0.00 WAT1 ATOM 2179 H2 TIP3 224 -26.946 28.595 -15.603 1.00 0.00 WAT1 ATOM 2180 OH2 TIP3 225 -29.973 29.371 -14.909 1.00 0.00 WAT1 ATOM 2181 H1 TIP3 225 -30.241 28.858 -15.711 1.00 0.00 WAT1 ATOM 2182 H2 TIP3 225 -30.022 30.309 -15.201 1.00 0.00 WAT1 ATOM 2183 OH2 TIP3 226 -30.624 28.673 -12.306 1.00 0.00 WAT1 ATOM 2184 H1 TIP3 226 -30.474 28.867 -13.261 1.00 0.00 WAT1 ATOM 2185 H2 TIP3 226 -31.021 29.483 -11.963 1.00 0.00 WAT1 ATOM 2186 OH2 TIP3 227 -24.770 36.048 -13.937 1.00 0.00 WAT1 ATOM 2187 H1 TIP3 227 -24.723 36.434 -14.824 1.00 0.00 WAT1 ATOM 2188 H2 TIP3 227 -23.830 35.859 -13.707 1.00 0.00 WAT1 ATOM 2189 OH2 TIP3 228 -28.908 27.780 -19.476 1.00 0.00 WAT1 ATOM 2190 H1 TIP3 228 -28.789 28.321 -20.289 1.00 0.00 WAT1 ATOM 2191 H2 TIP3 228 -28.872 26.869 -19.793 1.00 0.00 WAT1 ATOM 2192 OH2 TIP3 229 -32.031 30.166 -20.999 1.00 0.00 WAT1 ATOM 2193 H1 TIP3 229 -31.711 30.488 -20.147 1.00 0.00 WAT1 ATOM 2194 H2 TIP3 229 -32.719 30.815 -21.258 1.00 0.00 WAT1 ATOM 2195 OH2 TIP3 230 -30.797 28.753 -22.962 1.00 0.00 WAT1 ATOM 2196 H1 TIP3 230 -31.301 29.243 -22.268 1.00 0.00 WAT1 ATOM 2197 H2 TIP3 230 -31.478 28.355 -23.512 1.00 0.00 WAT1 ATOM 2198 OH2 TIP3 231 -30.078 38.237 -15.440 1.00 0.00 WAT1 ATOM 2199 H1 TIP3 231 -30.776 38.634 -14.879 1.00 0.00 WAT1 ATOM 2200 H2 TIP3 231 -29.317 38.148 -14.843 1.00 0.00 WAT1 ATOM 2201 OH2 TIP3 232 -37.576 35.260 -27.634 1.00 0.00 WAT1 ATOM 2202 H1 TIP3 232 -36.706 35.375 -27.206 1.00 0.00 WAT1 ATOM 2203 H2 TIP3 232 -37.449 35.610 -28.525 1.00 0.00 WAT1 ATOM 2204 OH2 TIP3 233 -30.493 28.053 -17.229 1.00 0.00 WAT1 ATOM 2205 H1 TIP3 233 -31.301 27.637 -17.539 1.00 0.00 WAT1 ATOM 2206 H2 TIP3 233 -29.911 28.062 -18.018 1.00 0.00 WAT1 ATOM 2207 OH2 TIP3 234 -33.593 34.049 -17.167 1.00 0.00 WAT1 ATOM 2208 H1 TIP3 234 -33.756 34.995 -17.352 1.00 0.00 WAT1 ATOM 2209 H2 TIP3 234 -33.648 33.982 -16.210 1.00 0.00 WAT1 ATOM 2210 OH2 TIP3 235 -33.244 34.351 -25.328 1.00 0.00 WAT1 ATOM 2211 H1 TIP3 235 -33.888 34.712 -25.981 1.00 0.00 WAT1 ATOM 2212 H2 TIP3 235 -33.660 33.510 -25.020 1.00 0.00 WAT1 ATOM 2213 OH2 TIP3 236 -34.810 35.756 -27.138 1.00 0.00 WAT1 ATOM 2214 H1 TIP3 236 -34.446 36.629 -26.886 1.00 0.00 WAT1 ATOM 2215 H2 TIP3 236 -34.927 35.821 -28.107 1.00 0.00 WAT1 ATOM 2216 OH2 TIP3 237 -24.319 23.854 -13.793 1.00 0.00 WAT1 ATOM 2217 H1 TIP3 237 -25.125 23.365 -13.522 1.00 0.00 WAT1 ATOM 2218 H2 TIP3 237 -24.362 24.673 -13.289 1.00 0.00 WAT1 ATOM 2219 OH2 TIP3 238 -24.441 35.198 -17.716 1.00 0.00 WAT1 ATOM 2220 H1 TIP3 238 -23.759 35.720 -17.255 1.00 0.00 WAT1 ATOM 2221 H2 TIP3 238 -24.120 34.292 -17.666 1.00 0.00 WAT1 ATOM 2222 OH2 TIP3 239 -38.844 37.292 -24.875 1.00 0.00 WAT1 ATOM 2223 H1 TIP3 239 -38.804 36.339 -25.026 1.00 0.00 WAT1 ATOM 2224 H2 TIP3 239 -39.150 37.657 -25.738 1.00 0.00 WAT1 ATOM 2225 OH2 TIP3 240 -33.150 36.164 -7.426 1.00 0.00 WAT1 ATOM 2226 H1 TIP3 240 -33.990 36.158 -7.900 1.00 0.00 WAT1 ATOM 2227 H2 TIP3 240 -32.510 35.785 -8.071 1.00 0.00 WAT1 ATOM 2228 OH2 TIP3 241 -31.031 34.025 -26.849 1.00 0.00 WAT1 ATOM 2229 H1 TIP3 241 -31.792 34.151 -26.241 1.00 0.00 WAT1 ATOM 2230 H2 TIP3 241 -31.068 33.092 -27.083 1.00 0.00 WAT1 ATOM 2231 OH2 TIP3 242 -29.067 34.052 -8.675 1.00 0.00 WAT1 ATOM 2232 H1 TIP3 242 -28.844 33.107 -8.725 1.00 0.00 WAT1 ATOM 2233 H2 TIP3 242 -29.055 34.249 -7.727 1.00 0.00 WAT1 ATOM 2234 OH2 TIP3 243 -31.023 34.643 -12.153 1.00 0.00 WAT1 ATOM 2235 H1 TIP3 243 -30.273 35.171 -11.820 1.00 0.00 WAT1 ATOM 2236 H2 TIP3 243 -30.606 34.000 -12.767 1.00 0.00 WAT1 ATOM 2237 OH2 TIP3 244 -28.196 27.319 -12.402 1.00 0.00 WAT1 ATOM 2238 H1 TIP3 244 -29.054 27.791 -12.308 1.00 0.00 WAT1 ATOM 2239 H2 TIP3 244 -27.760 27.767 -13.167 1.00 0.00 WAT1 ATOM 2240 OH2 TIP3 245 -26.610 27.732 -8.214 1.00 0.00 WAT1 ATOM 2241 H1 TIP3 245 -27.420 27.401 -8.656 1.00 0.00 WAT1 ATOM 2242 H2 TIP3 245 -25.923 27.101 -8.481 1.00 0.00 WAT1 ATOM 2243 OH2 TIP3 246 -25.492 25.135 -9.070 1.00 0.00 WAT1 ATOM 2244 H1 TIP3 246 -26.324 24.778 -8.680 1.00 0.00 WAT1 ATOM 2245 H2 TIP3 246 -25.693 25.211 -10.026 1.00 0.00 WAT1 ATOM 2246 OH2 TIP3 247 -28.435 20.980 -12.683 1.00 0.00 WAT1 ATOM 2247 H1 TIP3 247 -28.507 20.279 -12.026 1.00 0.00 WAT1 ATOM 2248 H2 TIP3 247 -28.950 20.661 -13.431 1.00 0.00 WAT1 ATOM 2249 OH2 TIP3 248 -27.923 24.380 -8.158 1.00 0.00 WAT1 ATOM 2250 H1 TIP3 248 -28.234 25.078 -8.774 1.00 0.00 WAT1 ATOM 2251 H2 TIP3 248 -28.639 24.312 -7.495 1.00 0.00 WAT1 ATOM 2252 OH2 TIP3 249 -26.676 21.636 -7.048 1.00 0.00 WAT1 ATOM 2253 H1 TIP3 249 -27.114 21.158 -6.316 1.00 0.00 WAT1 ATOM 2254 H2 TIP3 249 -27.374 22.195 -7.420 1.00 0.00 WAT1 ATOM 2255 OH2 TIP3 250 -32.691 36.925 -24.472 1.00 0.00 WAT1 ATOM 2256 H1 TIP3 250 -32.917 35.994 -24.667 1.00 0.00 WAT1 ATOM 2257 H2 TIP3 250 -33.085 37.426 -25.215 1.00 0.00 WAT1 ATOM 2258 OH2 TIP3 251 -39.607 40.646 -21.763 1.00 0.00 WAT1 ATOM 2259 H1 TIP3 251 -39.710 40.358 -20.838 1.00 0.00 WAT1 ATOM 2260 H2 TIP3 251 -39.996 39.904 -22.287 1.00 0.00 WAT1 ATOM 2261 OH2 TIP3 252 -35.389 37.981 -21.434 1.00 0.00 WAT1 ATOM 2262 H1 TIP3 252 -34.926 37.115 -21.417 1.00 0.00 WAT1 ATOM 2263 H2 TIP3 252 -35.104 38.420 -20.611 1.00 0.00 WAT1 ATOM 2264 OH2 TIP3 253 -21.540 34.121 -16.276 1.00 0.00 WAT1 ATOM 2265 H1 TIP3 253 -21.940 35.020 -16.204 1.00 0.00 WAT1 ATOM 2266 H2 TIP3 253 -20.940 34.070 -15.515 1.00 0.00 WAT1 ATOM 2267 OH2 TIP3 254 -24.141 30.012 -18.872 1.00 0.00 WAT1 ATOM 2268 H1 TIP3 254 -25.055 29.907 -18.540 1.00 0.00 WAT1 ATOM 2269 H2 TIP3 254 -23.737 30.665 -18.267 1.00 0.00 WAT1 ATOM 2270 OH2 TIP3 255 -26.065 36.969 -19.055 1.00 0.00 WAT1 ATOM 2271 H1 TIP3 255 -25.527 36.327 -18.534 1.00 0.00 WAT1 ATOM 2272 H2 TIP3 255 -26.843 36.462 -19.324 1.00 0.00 WAT1 ATOM 2273 OH2 TIP3 256 -25.474 26.831 -17.532 1.00 0.00 WAT1 ATOM 2274 H1 TIP3 256 -25.498 26.094 -16.886 1.00 0.00 WAT1 ATOM 2275 H2 TIP3 256 -24.971 26.463 -18.285 1.00 0.00 WAT1 ATOM 2276 OH2 TIP3 257 -16.712 30.568 -15.406 1.00 0.00 WAT1 ATOM 2277 H1 TIP3 257 -16.809 29.787 -15.984 1.00 0.00 WAT1 ATOM 2278 H2 TIP3 257 -17.339 31.223 -15.781 1.00 0.00 WAT1 ATOM 2279 OH2 TIP3 258 -19.413 22.288 -9.444 1.00 0.00 WAT1 ATOM 2280 H1 TIP3 258 -18.613 22.151 -8.909 1.00 0.00 WAT1 ATOM 2281 H2 TIP3 258 -19.075 22.557 -10.312 1.00 0.00 WAT1 ATOM 2282 OH2 TIP3 259 -21.233 24.512 -12.438 1.00 0.00 WAT1 ATOM 2283 H1 TIP3 259 -21.354 23.743 -13.008 1.00 0.00 WAT1 ATOM 2284 H2 TIP3 259 -22.110 24.645 -12.027 1.00 0.00 WAT1 ATOM 2285 OH2 TIP3 260 -25.182 37.174 -21.632 1.00 0.00 WAT1 ATOM 2286 H1 TIP3 260 -25.420 37.302 -20.691 1.00 0.00 WAT1 ATOM 2287 H2 TIP3 260 -24.671 37.973 -21.861 1.00 0.00 WAT1 ATOM 2288 OH2 TIP3 261 -27.283 35.139 -13.312 1.00 0.00 WAT1 ATOM 2289 H1 TIP3 261 -27.713 36.016 -13.392 1.00 0.00 WAT1 ATOM 2290 H2 TIP3 261 -26.363 35.299 -13.608 1.00 0.00 WAT1 ATOM 2291 OH2 TIP3 262 -28.141 37.704 -12.901 1.00 0.00 WAT1 ATOM 2292 H1 TIP3 262 -28.656 37.331 -12.167 1.00 0.00 WAT1 ATOM 2293 H2 TIP3 262 -27.274 37.916 -12.498 1.00 0.00 WAT1 ATOM 2294 OH2 TIP3 263 -25.672 37.501 -11.566 1.00 0.00 WAT1 ATOM 2295 H1 TIP3 263 -25.078 37.380 -10.804 1.00 0.00 WAT1 ATOM 2296 H2 TIP3 263 -25.225 37.039 -12.295 1.00 0.00 WAT1 ATOM 2297 OH2 TIP3 264 -35.669 43.413 -18.250 1.00 0.00 WAT1 ATOM 2298 H1 TIP3 264 -35.271 42.562 -17.979 1.00 0.00 WAT1 ATOM 2299 H2 TIP3 264 -35.542 43.994 -17.472 1.00 0.00 WAT1 ATOM 2300 OH2 TIP3 265 -34.376 39.130 -19.051 1.00 0.00 WAT1 ATOM 2301 H1 TIP3 265 -33.481 39.362 -19.329 1.00 0.00 WAT1 ATOM 2302 H2 TIP3 265 -34.636 39.863 -18.450 1.00 0.00 WAT1 ATOM 2303 OH2 TIP3 266 -34.039 35.615 -21.103 1.00 0.00 WAT1 ATOM 2304 H1 TIP3 266 -34.503 34.886 -20.646 1.00 0.00 WAT1 ATOM 2305 H2 TIP3 266 -33.301 35.171 -21.573 1.00 0.00 WAT1 ATOM 2306 OH2 TIP3 267 -38.418 38.923 -29.337 1.00 0.00 WAT1 ATOM 2307 H1 TIP3 267 -39.212 39.351 -29.729 1.00 0.00 WAT1 ATOM 2308 H2 TIP3 267 -38.744 38.554 -28.489 1.00 0.00 WAT1 ATOM 2309 OH2 TIP3 268 -30.566 36.373 -28.111 1.00 0.00 WAT1 ATOM 2310 H1 TIP3 268 -30.959 36.292 -29.013 1.00 0.00 WAT1 ATOM 2311 H2 TIP3 268 -30.786 35.514 -27.674 1.00 0.00 WAT1 ATOM 2312 OH2 TIP3 269 -22.258 37.115 -20.878 1.00 0.00 WAT1 ATOM 2313 H1 TIP3 269 -23.025 36.523 -20.855 1.00 0.00 WAT1 ATOM 2314 H2 TIP3 269 -22.573 37.888 -21.392 1.00 0.00 WAT1 ATOM 2315 OH2 TIP3 270 -35.434 36.509 -29.738 1.00 0.00 WAT1 ATOM 2316 H1 TIP3 270 -34.995 37.380 -29.630 1.00 0.00 WAT1 ATOM 2317 H2 TIP3 270 -36.186 36.693 -30.348 1.00 0.00 WAT1 ATOM 2318 OH2 TIP3 271 -29.411 37.501 0.493 1.00 0.00 WAT1 ATOM 2319 H1 TIP3 271 -30.319 37.886 0.569 1.00 0.00 WAT1 ATOM 2320 H2 TIP3 271 -28.896 37.973 1.187 1.00 0.00 WAT1 ATOM 2321 OH2 TIP3 272 -27.814 29.464 6.175 1.00 0.00 WAT1 ATOM 2322 H1 TIP3 272 -27.940 30.427 6.295 1.00 0.00 WAT1 ATOM 2323 H2 TIP3 272 -27.015 29.399 5.604 1.00 0.00 WAT1 ATOM 2324 OH2 TIP3 273 -30.030 25.859 -0.078 1.00 0.00 WAT1 ATOM 2325 H1 TIP3 273 -29.962 25.365 -0.923 1.00 0.00 WAT1 ATOM 2326 H2 TIP3 273 -29.401 26.593 -0.180 1.00 0.00 WAT1 ATOM 2327 OH2 TIP3 274 -31.489 27.994 0.855 1.00 0.00 WAT1 ATOM 2328 H1 TIP3 274 -31.327 27.104 0.480 1.00 0.00 WAT1 ATOM 2329 H2 TIP3 274 -31.842 28.510 0.104 1.00 0.00 WAT1 ATOM 2330 OH2 TIP3 275 -30.264 21.586 0.636 1.00 0.00 WAT1 ATOM 2331 H1 TIP3 275 -30.225 22.474 1.046 1.00 0.00 WAT1 ATOM 2332 H2 TIP3 275 -29.816 21.008 1.282 1.00 0.00 WAT1 ATOM 2333 OH2 TIP3 276 -31.979 29.900 -1.177 1.00 0.00 WAT1 ATOM 2334 H1 TIP3 276 -32.447 30.661 -0.815 1.00 0.00 WAT1 ATOM 2335 H2 TIP3 276 -31.039 30.198 -1.222 1.00 0.00 WAT1 ATOM 2336 OH2 TIP3 277 -29.463 30.968 -0.888 1.00 0.00 WAT1 ATOM 2337 H1 TIP3 277 -29.240 31.902 -0.668 1.00 0.00 WAT1 ATOM 2338 H2 TIP3 277 -29.026 30.450 -0.193 1.00 0.00 WAT1 ATOM 2339 OH2 TIP3 278 -29.717 23.933 1.939 1.00 0.00 WAT1 ATOM 2340 H1 TIP3 278 -29.923 24.707 1.373 1.00 0.00 WAT1 ATOM 2341 H2 TIP3 278 -29.958 24.227 2.842 1.00 0.00 WAT1 ATOM 2342 OH2 TIP3 279 -27.678 36.131 -3.694 1.00 0.00 WAT1 ATOM 2343 H1 TIP3 279 -28.568 36.141 -4.122 1.00 0.00 WAT1 ATOM 2344 H2 TIP3 279 -27.192 36.836 -4.150 1.00 0.00 WAT1 ATOM 2345 OH2 TIP3 280 -20.528 18.103 -6.406 1.00 0.00 WAT1 ATOM 2346 H1 TIP3 280 -21.374 17.673 -6.595 1.00 0.00 WAT1 ATOM 2347 H2 TIP3 280 -20.465 18.811 -7.085 1.00 0.00 WAT1 ATOM 2348 OH2 TIP3 281 -33.025 29.074 -3.590 1.00 0.00 WAT1 ATOM 2349 H1 TIP3 281 -32.624 29.263 -2.711 1.00 0.00 WAT1 ATOM 2350 H2 TIP3 281 -33.928 29.406 -3.514 1.00 0.00 WAT1 ATOM 2351 OH2 TIP3 282 -28.101 35.317 1.720 1.00 0.00 WAT1 ATOM 2352 H1 TIP3 282 -28.564 36.066 1.309 1.00 0.00 WAT1 ATOM 2353 H2 TIP3 282 -27.946 35.609 2.640 1.00 0.00 WAT1 ATOM 2354 OH2 TIP3 283 -30.280 35.534 -1.314 1.00 0.00 WAT1 ATOM 2355 H1 TIP3 283 -30.936 35.947 -1.916 1.00 0.00 WAT1 ATOM 2356 H2 TIP3 283 -30.057 36.244 -0.683 1.00 0.00 WAT1 ATOM 2357 OH2 TIP3 284 -28.597 26.501 -9.790 1.00 0.00 WAT1 ATOM 2358 H1 TIP3 284 -29.576 26.515 -9.870 1.00 0.00 WAT1 ATOM 2359 H2 TIP3 284 -28.284 26.747 -10.685 1.00 0.00 WAT1 ATOM 2360 OH2 TIP3 285 -30.129 21.594 4.612 1.00 0.00 WAT1 ATOM 2361 H1 TIP3 285 -30.196 22.550 4.400 1.00 0.00 WAT1 ATOM 2362 H2 TIP3 285 -29.575 21.224 3.888 1.00 0.00 WAT1 ATOM 2363 OH2 TIP3 286 -32.060 24.808 -3.175 1.00 0.00 WAT1 ATOM 2364 H1 TIP3 286 -32.988 24.757 -2.929 1.00 0.00 WAT1 ATOM 2365 H2 TIP3 286 -32.015 25.569 -3.793 1.00 0.00 WAT1 ATOM 2366 OH2 TIP3 287 -30.278 24.253 -6.678 1.00 0.00 WAT1 ATOM 2367 H1 TIP3 287 -30.599 25.150 -6.921 1.00 0.00 WAT1 ATOM 2368 H2 TIP3 287 -31.023 23.676 -6.877 1.00 0.00 WAT1 ATOM 2369 OH2 TIP3 288 -27.285 24.388 -0.249 1.00 0.00 WAT1 ATOM 2370 H1 TIP3 288 -28.063 24.360 -0.826 1.00 0.00 WAT1 ATOM 2371 H2 TIP3 288 -27.528 25.023 0.452 1.00 0.00 WAT1 ATOM 2372 OH2 TIP3 289 -31.841 26.951 -4.887 1.00 0.00 WAT1 ATOM 2373 H1 TIP3 289 -31.976 27.010 -5.853 1.00 0.00 WAT1 ATOM 2374 H2 TIP3 289 -32.284 27.755 -4.530 1.00 0.00 WAT1 ATOM 2375 OH2 TIP3 290 -31.195 26.709 -7.599 1.00 0.00 WAT1 ATOM 2376 H1 TIP3 290 -31.390 26.652 -8.560 1.00 0.00 WAT1 ATOM 2377 H2 TIP3 290 -30.768 27.588 -7.496 1.00 0.00 WAT1 ATOM 2378 OH2 TIP3 291 -23.818 37.827 4.864 1.00 0.00 WAT1 ATOM 2379 H1 TIP3 291 -24.307 36.990 4.730 1.00 0.00 WAT1 ATOM 2380 H2 TIP3 291 -23.588 38.111 3.960 1.00 0.00 WAT1 ATOM 2381 OH2 TIP3 292 -28.770 28.327 0.400 1.00 0.00 WAT1 ATOM 2382 H1 TIP3 292 -29.688 28.384 0.742 1.00 0.00 WAT1 ATOM 2383 H2 TIP3 292 -28.273 27.903 1.122 1.00 0.00 WAT1 ATOM 2384 OH2 TIP3 293 -31.928 19.493 4.918 1.00 0.00 WAT1 ATOM 2385 H1 TIP3 293 -32.401 19.663 5.755 1.00 0.00 WAT1 ATOM 2386 H2 TIP3 293 -31.290 20.230 4.850 1.00 0.00 WAT1 ATOM 2387 OH2 TIP3 294 -24.549 23.395 -7.044 1.00 0.00 WAT1 ATOM 2388 H1 TIP3 294 -24.746 24.042 -7.748 1.00 0.00 WAT1 ATOM 2389 H2 TIP3 294 -25.247 22.709 -7.147 1.00 0.00 WAT1 ATOM 2390 OH2 TIP3 295 -27.484 32.146 6.710 1.00 0.00 WAT1 ATOM 2391 H1 TIP3 295 -27.610 33.017 7.141 1.00 0.00 WAT1 ATOM 2392 H2 TIP3 295 -26.634 32.239 6.228 1.00 0.00 WAT1 ATOM 2393 OH2 TIP3 296 -28.465 36.095 6.768 1.00 0.00 WAT1 ATOM 2394 H1 TIP3 296 -28.012 35.475 7.382 1.00 0.00 WAT1 ATOM 2395 H2 TIP3 296 -29.306 36.273 7.194 1.00 0.00 WAT1 ATOM 2396 OH2 TIP3 297 -25.633 29.734 4.568 1.00 0.00 WAT1 ATOM 2397 H1 TIP3 297 -25.609 29.927 3.603 1.00 0.00 WAT1 ATOM 2398 H2 TIP3 297 -25.217 30.520 4.979 1.00 0.00 WAT1 ATOM 2399 OH2 TIP3 298 -28.657 33.585 -0.364 1.00 0.00 WAT1 ATOM 2400 H1 TIP3 298 -28.328 34.039 0.447 1.00 0.00 WAT1 ATOM 2401 H2 TIP3 298 -29.317 34.218 -0.738 1.00 0.00 WAT1 ATOM 2402 OH2 TIP3 299 -27.573 30.744 -2.952 1.00 0.00 WAT1 ATOM 2403 H1 TIP3 299 -28.400 30.760 -2.435 1.00 0.00 WAT1 ATOM 2404 H2 TIP3 299 -27.324 31.689 -3.028 1.00 0.00 WAT1 ATOM 2405 OH2 TIP3 300 -28.063 38.584 2.583 1.00 0.00 WAT1 ATOM 2406 H1 TIP3 300 -28.618 39.232 3.063 1.00 0.00 WAT1 ATOM 2407 H2 TIP3 300 -27.897 37.867 3.246 1.00 0.00 WAT1 ATOM 2408 OH2 TIP3 301 -35.794 36.645 -4.321 1.00 0.00 WAT1 ATOM 2409 H1 TIP3 301 -36.713 36.371 -4.275 1.00 0.00 WAT1 ATOM 2410 H2 TIP3 301 -35.821 37.609 -4.124 1.00 0.00 WAT1 ATOM 2411 OH2 TIP3 302 -27.243 33.483 -2.749 1.00 0.00 WAT1 ATOM 2412 H1 TIP3 302 -27.375 34.381 -3.118 1.00 0.00 WAT1 ATOM 2413 H2 TIP3 302 -27.700 33.513 -1.882 1.00 0.00 WAT1 ATOM 2414 OH2 TIP3 303 -23.503 34.663 2.059 1.00 0.00 WAT1 ATOM 2415 H1 TIP3 303 -22.717 35.072 2.493 1.00 0.00 WAT1 ATOM 2416 H2 TIP3 303 -23.185 33.774 1.784 1.00 0.00 WAT1 ATOM 2417 OH2 TIP3 304 -31.492 35.315 -9.470 1.00 0.00 WAT1 ATOM 2418 H1 TIP3 304 -30.665 34.863 -9.207 1.00 0.00 WAT1 ATOM 2419 H2 TIP3 304 -31.639 35.021 -10.395 1.00 0.00 WAT1 ATOM 2420 OH2 TIP3 305 -31.895 33.060 -4.906 1.00 0.00 WAT1 ATOM 2421 H1 TIP3 305 -31.085 33.476 -4.592 1.00 0.00 WAT1 ATOM 2422 H2 TIP3 305 -32.568 33.772 -4.845 1.00 0.00 WAT1 ATOM 2423 OH2 TIP3 306 -25.645 22.784 -4.434 1.00 0.00 WAT1 ATOM 2424 H1 TIP3 306 -25.143 22.924 -5.254 1.00 0.00 WAT1 ATOM 2425 H2 TIP3 306 -26.571 22.990 -4.682 1.00 0.00 WAT1 ATOM 2426 OH2 TIP3 307 -30.069 36.466 -4.927 1.00 0.00 WAT1 ATOM 2427 H1 TIP3 307 -30.443 37.120 -5.548 1.00 0.00 WAT1 ATOM 2428 H2 TIP3 307 -30.678 36.490 -4.164 1.00 0.00 WAT1 ATOM 2429 OH2 TIP3 308 -26.869 28.408 -1.676 1.00 0.00 WAT1 ATOM 2430 H1 TIP3 308 -27.625 28.453 -1.060 1.00 0.00 WAT1 ATOM 2431 H2 TIP3 308 -26.980 29.198 -2.249 1.00 0.00 WAT1 ATOM 2432 OH2 TIP3 309 -29.550 24.393 -2.286 1.00 0.00 WAT1 ATOM 2433 H1 TIP3 309 -30.498 24.370 -2.567 1.00 0.00 WAT1 ATOM 2434 H2 TIP3 309 -29.309 23.439 -2.180 1.00 0.00 WAT1 ATOM 2435 OH2 TIP3 310 -33.479 35.350 -4.800 1.00 0.00 WAT1 ATOM 2436 H1 TIP3 310 -33.347 35.596 -5.742 1.00 0.00 WAT1 ATOM 2437 H2 TIP3 310 -34.370 35.715 -4.580 1.00 0.00 WAT1 ATOM 2438 OH2 TIP3 311 -22.225 32.526 0.979 1.00 0.00 WAT1 ATOM 2439 H1 TIP3 311 -21.388 32.781 1.411 1.00 0.00 WAT1 ATOM 2440 H2 TIP3 311 -22.111 31.558 0.795 1.00 0.00 WAT1 ATOM 2441 OH2 TIP3 312 -28.768 35.678 -10.971 1.00 0.00 WAT1 ATOM 2442 H1 TIP3 312 -28.114 35.285 -11.581 1.00 0.00 WAT1 ATOM 2443 H2 TIP3 312 -28.686 35.146 -10.153 1.00 0.00 WAT1 ATOM 2444 OH2 TIP3 313 -24.837 32.081 5.871 1.00 0.00 WAT1 ATOM 2445 H1 TIP3 313 -24.548 31.767 6.756 1.00 0.00 WAT1 ATOM 2446 H2 TIP3 313 -24.172 32.757 5.630 1.00 0.00 WAT1 ATOM 2447 OH2 TIP3 314 -31.272 26.695 -10.354 1.00 0.00 WAT1 ATOM 2448 H1 TIP3 314 -31.166 27.362 -11.062 1.00 0.00 WAT1 ATOM 2449 H2 TIP3 314 -32.038 26.150 -10.651 1.00 0.00 WAT1 ATOM 2450 OH2 TIP3 315 -27.387 34.286 8.514 1.00 0.00 WAT1 ATOM 2451 H1 TIP3 315 -27.769 33.798 9.278 1.00 0.00 WAT1 ATOM 2452 H2 TIP3 315 -26.430 34.342 8.722 1.00 0.00 WAT1 ATOM 2453 OH2 TIP3 316 -28.071 30.997 -7.925 1.00 0.00 WAT1 ATOM 2454 H1 TIP3 316 -27.443 30.396 -8.350 1.00 0.00 WAT1 ATOM 2455 H2 TIP3 316 -27.778 31.036 -7.006 1.00 0.00 WAT1 ATOM 2456 OH2 TIP3 317 -31.833 30.433 -5.697 1.00 0.00 WAT1 ATOM 2457 H1 TIP3 317 -32.243 30.008 -4.922 1.00 0.00 WAT1 ATOM 2458 H2 TIP3 317 -31.895 31.397 -5.502 1.00 0.00 WAT1 ATOM 2459 OH2 TIP3 318 -30.300 24.378 4.633 1.00 0.00 WAT1 ATOM 2460 H1 TIP3 318 -30.633 25.208 4.213 1.00 0.00 WAT1 ATOM 2461 H2 TIP3 318 -30.219 24.602 5.570 1.00 0.00 WAT1 ATOM 2462 OH2 TIP3 319 -29.968 29.071 -7.057 1.00 0.00 WAT1 ATOM 2463 H1 TIP3 319 -30.660 29.566 -6.545 1.00 0.00 WAT1 ATOM 2464 H2 TIP3 319 -29.521 29.766 -7.577 1.00 0.00 WAT1 ATOM 2465 OH2 TIP3 320 -27.002 30.581 8.902 1.00 0.00 WAT1 ATOM 2466 H1 TIP3 320 -27.022 29.677 8.557 1.00 0.00 WAT1 ATOM 2467 H2 TIP3 320 -27.311 31.130 8.149 1.00 0.00 WAT1 ATOM 2468 OH2 TIP3 321 -35.281 22.051 6.830 1.00 0.00 WAT1 ATOM 2469 H1 TIP3 321 -36.028 22.407 7.320 1.00 0.00 WAT1 ATOM 2470 H2 TIP3 321 -35.492 22.230 5.908 1.00 0.00 WAT1 ATOM 2471 OH2 TIP3 322 -28.556 20.544 2.520 1.00 0.00 WAT1 ATOM 2472 H1 TIP3 322 -27.869 21.236 2.434 1.00 0.00 WAT1 ATOM 2473 H2 TIP3 322 -28.231 19.814 1.959 1.00 0.00 WAT1 ATOM 2474 OH2 TIP3 323 -30.927 26.603 3.240 1.00 0.00 WAT1 ATOM 2475 H1 TIP3 323 -30.617 27.238 3.925 1.00 0.00 WAT1 ATOM 2476 H2 TIP3 323 -31.251 27.171 2.515 1.00 0.00 WAT1 ATOM 2477 OH2 TIP3 324 -31.250 15.710 2.109 1.00 0.00 WAT1 ATOM 2478 H1 TIP3 324 -31.297 16.675 2.319 1.00 0.00 WAT1 ATOM 2479 H2 TIP3 324 -31.864 15.601 1.378 1.00 0.00 WAT1 ATOM 2480 OH2 TIP3 325 -27.164 22.924 2.133 1.00 0.00 WAT1 ATOM 2481 H1 TIP3 325 -28.078 23.282 2.175 1.00 0.00 WAT1 ATOM 2482 H2 TIP3 325 -26.869 23.141 1.231 1.00 0.00 WAT1 ATOM 2483 OH2 TIP3 326 -29.419 14.070 3.305 1.00 0.00 WAT1 ATOM 2484 H1 TIP3 326 -30.032 13.629 3.906 1.00 0.00 WAT1 ATOM 2485 H2 TIP3 326 -29.990 14.696 2.795 1.00 0.00 WAT1 ATOM 2486 OH2 TIP3 327 -31.060 19.879 9.087 1.00 0.00 WAT1 ATOM 2487 H1 TIP3 327 -31.933 19.705 8.685 1.00 0.00 WAT1 ATOM 2488 H2 TIP3 327 -30.669 20.570 8.505 1.00 0.00 WAT1 ATOM 2489 OH2 TIP3 328 -31.572 38.291 -6.417 1.00 0.00 WAT1 ATOM 2490 H1 TIP3 328 -32.327 37.686 -6.553 1.00 0.00 WAT1 ATOM 2491 H2 TIP3 328 -31.160 38.355 -7.307 1.00 0.00 WAT1 ATOM 2492 OH2 TIP3 329 -22.801 33.984 5.376 1.00 0.00 WAT1 ATOM 2493 H1 TIP3 329 -22.175 33.374 5.803 1.00 0.00 WAT1 ATOM 2494 H2 TIP3 329 -22.320 34.288 4.568 1.00 0.00 WAT1 ATOM 2495 OH2 TIP3 330 -21.584 26.492 -7.668 1.00 0.00 WAT1 ATOM 2496 H1 TIP3 330 -20.724 26.609 -7.261 1.00 0.00 WAT1 ATOM 2497 H2 TIP3 330 -21.845 25.585 -7.418 1.00 0.00 WAT1 ATOM 2498 OH2 TIP3 331 -21.866 23.880 -6.635 1.00 0.00 WAT1 ATOM 2499 H1 TIP3 331 -22.831 23.688 -6.715 1.00 0.00 WAT1 ATOM 2500 H2 TIP3 331 -21.478 23.028 -6.348 1.00 0.00 WAT1 ATOM 2501 OH2 TIP3 332 -25.004 35.423 4.229 1.00 0.00 WAT1 ATOM 2502 H1 TIP3 332 -24.465 34.826 4.779 1.00 0.00 WAT1 ATOM 2503 H2 TIP3 332 -24.734 35.206 3.308 1.00 0.00 WAT1 ATOM 2504 OH2 TIP3 333 -27.548 36.491 4.232 1.00 0.00 WAT1 ATOM 2505 H1 TIP3 333 -26.637 36.122 4.286 1.00 0.00 WAT1 ATOM 2506 H2 TIP3 333 -27.916 36.352 5.137 1.00 0.00 WAT1 ATOM 2507 OH2 TIP3 334 -22.504 35.446 -0.400 1.00 0.00 WAT1 ATOM 2508 H1 TIP3 334 -22.856 35.259 0.495 1.00 0.00 WAT1 ATOM 2509 H2 TIP3 334 -22.727 36.390 -0.551 1.00 0.00 WAT1 ATOM 2510 OH2 TIP3 335 -25.665 39.673 1.833 1.00 0.00 WAT1 ATOM 2511 H1 TIP3 335 -26.466 39.146 2.051 1.00 0.00 WAT1 ATOM 2512 H2 TIP3 335 -24.930 39.025 1.889 1.00 0.00 WAT1 ATOM 2513 OH2 TIP3 336 -28.959 21.830 -1.733 1.00 0.00 WAT1 ATOM 2514 H1 TIP3 336 -28.952 20.901 -2.052 1.00 0.00 WAT1 ATOM 2515 H2 TIP3 336 -29.450 21.781 -0.879 1.00 0.00 WAT1 ATOM 2516 OH2 TIP3 337 -19.504 20.635 -3.630 1.00 0.00 WAT1 ATOM 2517 H1 TIP3 337 -18.934 20.002 -3.149 1.00 0.00 WAT1 ATOM 2518 H2 TIP3 337 -20.381 20.207 -3.638 1.00 0.00 WAT1 ATOM 2519 OH2 TIP3 338 -28.326 23.246 -4.906 1.00 0.00 WAT1 ATOM 2520 H1 TIP3 338 -28.491 22.304 -4.689 1.00 0.00 WAT1 ATOM 2521 H2 TIP3 338 -29.111 23.517 -5.421 1.00 0.00 WAT1 ATOM 2522 OH2 TIP3 339 -27.370 24.336 11.864 1.00 0.00 WAT1 ATOM 2523 H1 TIP3 339 -26.890 25.102 12.229 1.00 0.00 WAT1 ATOM 2524 H2 TIP3 339 -27.390 24.512 10.900 1.00 0.00 WAT1 ATOM 2525 OH2 TIP3 340 -28.344 26.006 18.509 1.00 0.00 WAT1 ATOM 2526 H1 TIP3 340 -29.216 25.558 18.643 1.00 0.00 WAT1 ATOM 2527 H2 TIP3 340 -28.339 26.711 19.162 1.00 0.00 WAT1 ATOM 2528 OH2 TIP3 341 -20.908 22.088 21.385 1.00 0.00 WAT1 ATOM 2529 H1 TIP3 341 -21.508 21.350 21.621 1.00 0.00 WAT1 ATOM 2530 H2 TIP3 341 -20.719 21.950 20.450 1.00 0.00 WAT1 ATOM 2531 OH2 TIP3 342 -24.855 20.608 18.856 1.00 0.00 WAT1 ATOM 2532 H1 TIP3 342 -24.619 19.663 18.690 1.00 0.00 WAT1 ATOM 2533 H2 TIP3 342 -25.650 20.754 18.297 1.00 0.00 WAT1 ATOM 2534 OH2 TIP3 343 -19.833 24.401 17.058 1.00 0.00 WAT1 ATOM 2535 H1 TIP3 343 -19.849 25.352 17.209 1.00 0.00 WAT1 ATOM 2536 H2 TIP3 343 -18.877 24.196 16.913 1.00 0.00 WAT1 ATOM 2537 OH2 TIP3 344 -26.202 23.165 16.030 1.00 0.00 WAT1 ATOM 2538 H1 TIP3 344 -26.963 23.499 15.499 1.00 0.00 WAT1 ATOM 2539 H2 TIP3 344 -25.419 23.425 15.511 1.00 0.00 WAT1 ATOM 2540 OH2 TIP3 345 -29.818 17.979 18.784 1.00 0.00 WAT1 ATOM 2541 H1 TIP3 345 -30.133 18.774 18.317 1.00 0.00 WAT1 ATOM 2542 H2 TIP3 345 -28.864 18.161 18.950 1.00 0.00 WAT1 ATOM 2543 OH2 TIP3 346 -29.991 28.019 5.387 1.00 0.00 WAT1 ATOM 2544 H1 TIP3 346 -30.585 28.220 6.115 1.00 0.00 WAT1 ATOM 2545 H2 TIP3 346 -29.147 28.460 5.638 1.00 0.00 WAT1 ATOM 2546 OH2 TIP3 347 -26.917 25.214 9.290 1.00 0.00 WAT1 ATOM 2547 H1 TIP3 347 -26.042 25.426 9.702 1.00 0.00 WAT1 ATOM 2548 H2 TIP3 347 -26.755 25.310 8.327 1.00 0.00 WAT1 ATOM 2549 OH2 TIP3 348 -26.721 27.087 11.809 1.00 0.00 WAT1 ATOM 2550 H1 TIP3 348 -25.884 26.687 11.470 1.00 0.00 WAT1 ATOM 2551 H2 TIP3 348 -27.134 27.465 11.027 1.00 0.00 WAT1 ATOM 2552 OH2 TIP3 349 -23.381 28.020 11.126 1.00 0.00 WAT1 ATOM 2553 H1 TIP3 349 -23.542 28.063 12.084 1.00 0.00 WAT1 ATOM 2554 H2 TIP3 349 -23.790 27.161 10.856 1.00 0.00 WAT1 ATOM 2555 OH2 TIP3 350 -20.319 32.550 5.331 1.00 0.00 WAT1 ATOM 2556 H1 TIP3 350 -20.548 33.130 4.562 1.00 0.00 WAT1 ATOM 2557 H2 TIP3 350 -20.071 31.682 4.910 1.00 0.00 WAT1 ATOM 2558 OH2 TIP3 351 -24.683 34.169 9.161 1.00 0.00 WAT1 ATOM 2559 H1 TIP3 351 -24.365 34.478 10.016 1.00 0.00 WAT1 ATOM 2560 H2 TIP3 351 -24.245 34.773 8.509 1.00 0.00 WAT1 ATOM 2561 OH2 TIP3 352 -31.380 18.143 23.039 1.00 0.00 WAT1 ATOM 2562 H1 TIP3 352 -31.366 18.974 23.524 1.00 0.00 WAT1 ATOM 2563 H2 TIP3 352 -31.895 17.550 23.597 1.00 0.00 WAT1 ATOM 2564 OH2 TIP3 353 -24.939 21.184 21.504 1.00 0.00 WAT1 ATOM 2565 H1 TIP3 353 -25.704 21.790 21.643 1.00 0.00 WAT1 ATOM 2566 H2 TIP3 353 -24.895 21.080 20.526 1.00 0.00 WAT1 ATOM 2567 OH2 TIP3 354 -30.651 21.860 7.270 1.00 0.00 WAT1 ATOM 2568 H1 TIP3 354 -30.388 21.700 6.335 1.00 0.00 WAT1 ATOM 2569 H2 TIP3 354 -30.228 22.719 7.492 1.00 0.00 WAT1 ATOM 2570 OH2 TIP3 355 -28.280 23.937 14.460 1.00 0.00 WAT1 ATOM 2571 H1 TIP3 355 -28.132 24.189 13.528 1.00 0.00 WAT1 ATOM 2572 H2 TIP3 355 -28.556 24.783 14.899 1.00 0.00 WAT1 ATOM 2573 OH2 TIP3 356 -33.065 20.498 7.267 1.00 0.00 WAT1 ATOM 2574 H1 TIP3 356 -33.912 20.987 7.172 1.00 0.00 WAT1 ATOM 2575 H2 TIP3 356 -32.383 21.200 7.263 1.00 0.00 WAT1 ATOM 2576 OH2 TIP3 357 -22.961 23.813 20.647 1.00 0.00 WAT1 ATOM 2577 H1 TIP3 357 -22.212 23.480 21.179 1.00 0.00 WAT1 ATOM 2578 H2 TIP3 357 -23.696 23.850 21.268 1.00 0.00 WAT1 ATOM 2579 OH2 TIP3 358 -30.677 24.727 18.909 1.00 0.00 WAT1 ATOM 2580 H1 TIP3 358 -30.625 23.776 19.155 1.00 0.00 WAT1 ATOM 2581 H2 TIP3 358 -31.465 24.786 18.360 1.00 0.00 WAT1 ATOM 2582 OH2 TIP3 359 -30.746 22.036 19.393 1.00 0.00 WAT1 ATOM 2583 H1 TIP3 359 -30.406 21.454 18.683 1.00 0.00 WAT1 ATOM 2584 H2 TIP3 359 -31.271 21.452 19.945 1.00 0.00 WAT1 ATOM 2585 OH2 TIP3 360 -27.166 22.734 21.257 1.00 0.00 WAT1 ATOM 2586 H1 TIP3 360 -28.120 22.688 21.360 1.00 0.00 WAT1 ATOM 2587 H2 TIP3 360 -27.039 23.053 20.333 1.00 0.00 WAT1 ATOM 2588 OH2 TIP3 361 -23.236 28.809 8.497 1.00 0.00 WAT1 ATOM 2589 H1 TIP3 361 -23.436 29.760 8.429 1.00 0.00 WAT1 ATOM 2590 H2 TIP3 361 -23.238 28.635 9.462 1.00 0.00 WAT1 ATOM 2591 OH2 TIP3 362 -27.037 23.602 18.677 1.00 0.00 WAT1 ATOM 2592 H1 TIP3 362 -26.607 23.451 17.815 1.00 0.00 WAT1 ATOM 2593 H2 TIP3 362 -27.433 24.495 18.592 1.00 0.00 WAT1 ATOM 2594 OH2 TIP3 363 -24.396 31.472 8.520 1.00 0.00 WAT1 ATOM 2595 H1 TIP3 363 -25.240 31.098 8.845 1.00 0.00 WAT1 ATOM 2596 H2 TIP3 363 -24.425 32.411 8.805 1.00 0.00 WAT1 ATOM 2597 OH2 TIP3 364 -19.178 34.726 9.355 1.00 0.00 WAT1 ATOM 2598 H1 TIP3 364 -19.715 35.345 9.904 1.00 0.00 WAT1 ATOM 2599 H2 TIP3 364 -18.262 35.057 9.451 1.00 0.00 WAT1 ATOM 2600 OH2 TIP3 365 -24.058 26.308 7.235 1.00 0.00 WAT1 ATOM 2601 H1 TIP3 365 -24.067 27.182 7.657 1.00 0.00 WAT1 ATOM 2602 H2 TIP3 365 -23.121 26.150 7.047 1.00 0.00 WAT1 ATOM 2603 OH2 TIP3 366 -27.147 16.158 21.408 1.00 0.00 WAT1 ATOM 2604 H1 TIP3 366 -26.798 17.034 21.676 1.00 0.00 WAT1 ATOM 2605 H2 TIP3 366 -28.126 16.258 21.473 1.00 0.00 WAT1 ATOM 2606 OH2 TIP3 367 -30.076 21.971 15.143 1.00 0.00 WAT1 ATOM 2607 H1 TIP3 367 -29.520 22.729 14.865 1.00 0.00 WAT1 ATOM 2608 H2 TIP3 367 -29.615 21.192 14.783 1.00 0.00 WAT1 ATOM 2609 OH2 TIP3 368 -29.957 20.376 17.299 1.00 0.00 WAT1 ATOM 2610 H1 TIP3 368 -30.260 21.133 16.746 1.00 0.00 WAT1 ATOM 2611 H2 TIP3 368 -29.616 19.736 16.643 1.00 0.00 WAT1 ATOM 2612 OH2 TIP3 369 -22.686 22.188 18.522 1.00 0.00 WAT1 ATOM 2613 H1 TIP3 369 -23.469 21.602 18.646 1.00 0.00 WAT1 ATOM 2614 H2 TIP3 369 -22.805 22.891 19.208 1.00 0.00 WAT1 ATOM 2615 OH2 TIP3 370 -28.683 26.234 15.767 1.00 0.00 WAT1 ATOM 2616 H1 TIP3 370 -27.942 26.766 15.403 1.00 0.00 WAT1 ATOM 2617 H2 TIP3 370 -28.536 26.246 16.732 1.00 0.00 WAT1 ATOM 2618 OH2 TIP3 371 -23.434 35.840 7.470 1.00 0.00 WAT1 ATOM 2619 H1 TIP3 371 -23.085 35.404 6.671 1.00 0.00 WAT1 ATOM 2620 H2 TIP3 371 -23.341 36.789 7.285 1.00 0.00 WAT1 ATOM 2621 OH2 TIP3 372 -28.094 32.541 10.530 1.00 0.00 WAT1 ATOM 2622 H1 TIP3 372 -27.727 31.747 10.090 1.00 0.00 WAT1 ATOM 2623 H2 TIP3 372 -28.359 32.229 11.400 1.00 0.00 WAT1 ATOM 2624 OH2 TIP3 373 -29.285 24.171 7.799 1.00 0.00 WAT1 ATOM 2625 H1 TIP3 373 -29.120 24.534 8.680 1.00 0.00 WAT1 ATOM 2626 H2 TIP3 373 -28.475 24.397 7.296 1.00 0.00 WAT1 ATOM 2627 OH2 TIP3 374 -21.326 27.053 7.411 1.00 0.00 WAT1 ATOM 2628 H1 TIP3 374 -20.837 27.597 6.749 1.00 0.00 WAT1 ATOM 2629 H2 TIP3 374 -21.874 27.706 7.893 1.00 0.00 WAT1 ATOM 2630 OH2 TIP3 375 -20.590 28.133 10.715 1.00 0.00 WAT1 ATOM 2631 H1 TIP3 375 -20.239 27.687 11.517 1.00 0.00 WAT1 ATOM 2632 H2 TIP3 375 -21.558 28.120 10.839 1.00 0.00 WAT1 ATOM 2633 OH2 TIP3 376 -23.837 26.818 13.713 1.00 0.00 WAT1 ATOM 2634 H1 TIP3 376 -23.048 26.808 14.264 1.00 0.00 WAT1 ATOM 2635 H2 TIP3 376 -23.701 26.067 13.086 1.00 0.00 WAT1 ATOM 2636 OH2 TIP3 377 -24.095 23.200 14.148 1.00 0.00 WAT1 ATOM 2637 H1 TIP3 377 -23.824 23.742 13.365 1.00 0.00 WAT1 ATOM 2638 H2 TIP3 377 -23.385 23.374 14.816 1.00 0.00 WAT1 ATOM 2639 OH2 TIP3 378 -26.513 27.308 14.498 1.00 0.00 WAT1 ATOM 2640 H1 TIP3 378 -26.763 27.344 13.551 1.00 0.00 WAT1 ATOM 2641 H2 TIP3 378 -25.544 27.200 14.480 1.00 0.00 WAT1 ATOM 2642 OH2 TIP3 379 -22.490 19.892 21.749 1.00 0.00 WAT1 ATOM 2643 H1 TIP3 379 -22.780 18.956 21.706 1.00 0.00 WAT1 ATOM 2644 H2 TIP3 379 -23.331 20.399 21.816 1.00 0.00 WAT1 ATOM 2645 OH2 TIP3 380 -26.978 20.822 17.138 1.00 0.00 WAT1 ATOM 2646 H1 TIP3 380 -26.747 21.652 16.663 1.00 0.00 WAT1 ATOM 2647 H2 TIP3 380 -27.872 20.984 17.477 1.00 0.00 WAT1 ATOM 2648 OH2 TIP3 381 -28.937 19.360 14.889 1.00 0.00 WAT1 ATOM 2649 H1 TIP3 381 -28.225 18.850 15.335 1.00 0.00 WAT1 ATOM 2650 H2 TIP3 381 -28.915 19.044 13.967 1.00 0.00 WAT1 ATOM 2651 OH2 TIP3 382 -30.768 21.158 11.513 1.00 0.00 WAT1 ATOM 2652 H1 TIP3 382 -31.601 21.159 11.994 1.00 0.00 WAT1 ATOM 2653 H2 TIP3 382 -30.973 20.700 10.672 1.00 0.00 WAT1 ATOM 2654 OH2 TIP3 383 -40.774 48.335 -34.005 1.00 0.00 WAT1 ATOM 2655 H1 TIP3 383 -40.215 48.811 -33.363 1.00 0.00 WAT1 ATOM 2656 H2 TIP3 383 -41.570 48.097 -33.498 1.00 0.00 WAT1 ATOM 2657 OH2 TIP3 384 -42.485 45.430 -34.611 1.00 0.00 WAT1 ATOM 2658 H1 TIP3 384 -42.776 44.918 -35.395 1.00 0.00 WAT1 ATOM 2659 H2 TIP3 384 -41.600 45.767 -34.867 1.00 0.00 WAT1 ATOM 2660 OH2 TIP3 385 -40.216 43.382 -39.608 1.00 0.00 WAT1 ATOM 2661 H1 TIP3 385 -39.388 42.914 -39.383 1.00 0.00 WAT1 ATOM 2662 H2 TIP3 385 -40.877 42.663 -39.695 1.00 0.00 WAT1 ATOM 2663 OH2 TIP3 386 -34.270 38.889 -35.167 1.00 0.00 WAT1 ATOM 2664 H1 TIP3 386 -34.768 38.414 -34.468 1.00 0.00 WAT1 ATOM 2665 H2 TIP3 386 -34.864 38.853 -35.939 1.00 0.00 WAT1 ATOM 2666 OH2 TIP3 387 -33.605 42.496 -36.531 1.00 0.00 WAT1 ATOM 2667 H1 TIP3 387 -34.090 42.190 -37.308 1.00 0.00 WAT1 ATOM 2668 H2 TIP3 387 -34.300 42.863 -35.943 1.00 0.00 WAT1 ATOM 2669 OH2 TIP3 388 -32.390 45.518 -34.727 1.00 0.00 WAT1 ATOM 2670 H1 TIP3 388 -32.426 45.892 -33.825 1.00 0.00 WAT1 ATOM 2671 H2 TIP3 388 -32.965 46.093 -35.243 1.00 0.00 WAT1 ATOM 2672 OH2 TIP3 389 -36.305 48.955 -36.110 1.00 0.00 WAT1 ATOM 2673 H1 TIP3 389 -36.318 49.694 -36.723 1.00 0.00 WAT1 ATOM 2674 H2 TIP3 389 -36.739 49.307 -35.297 1.00 0.00 WAT1 ATOM 2675 OH2 TIP3 390 -35.594 43.269 -34.726 1.00 0.00 WAT1 ATOM 2676 H1 TIP3 390 -35.221 43.000 -33.865 1.00 0.00 WAT1 ATOM 2677 H2 TIP3 390 -35.883 44.186 -34.582 1.00 0.00 WAT1 ATOM 2678 OH2 TIP3 391 -33.115 49.190 -28.915 1.00 0.00 WAT1 ATOM 2679 H1 TIP3 391 -34.049 49.439 -29.086 1.00 0.00 WAT1 ATOM 2680 H2 TIP3 391 -32.960 49.483 -27.990 1.00 0.00 WAT1 ATOM 2681 OH2 TIP3 392 -35.595 50.235 -29.158 1.00 0.00 WAT1 ATOM 2682 H1 TIP3 392 -35.813 50.818 -28.413 1.00 0.00 WAT1 ATOM 2683 H2 TIP3 392 -36.451 49.790 -29.371 1.00 0.00 WAT1 ATOM 2684 OH2 TIP3 393 -36.054 48.267 -31.767 1.00 0.00 WAT1 ATOM 2685 H1 TIP3 393 -36.700 48.346 -31.022 1.00 0.00 WAT1 ATOM 2686 H2 TIP3 393 -35.566 49.119 -31.751 1.00 0.00 WAT1 ATOM 2687 OH2 TIP3 394 -32.460 51.360 -30.627 1.00 0.00 WAT1 ATOM 2688 H1 TIP3 394 -33.202 51.104 -31.210 1.00 0.00 WAT1 ATOM 2689 H2 TIP3 394 -32.328 50.583 -30.056 1.00 0.00 WAT1 ATOM 2690 OH2 TIP3 395 -32.597 40.896 -34.496 1.00 0.00 WAT1 ATOM 2691 H1 TIP3 395 -33.117 40.082 -34.719 1.00 0.00 WAT1 ATOM 2692 H2 TIP3 395 -32.683 41.456 -35.296 1.00 0.00 WAT1 ATOM 2693 OH2 TIP3 396 -28.790 37.354 -30.901 1.00 0.00 WAT1 ATOM 2694 H1 TIP3 396 -29.583 36.787 -30.924 1.00 0.00 WAT1 ATOM 2695 H2 TIP3 396 -28.318 37.074 -30.098 1.00 0.00 WAT1 ATOM 2696 OH2 TIP3 397 -35.750 45.971 -33.120 1.00 0.00 WAT1 ATOM 2697 H1 TIP3 397 -35.992 46.804 -32.647 1.00 0.00 WAT1 ATOM 2698 H2 TIP3 397 -35.953 45.259 -32.468 1.00 0.00 WAT1 ATOM 2699 OH2 TIP3 398 -28.992 41.963 -35.422 1.00 0.00 WAT1 ATOM 2700 H1 TIP3 398 -29.754 42.535 -35.677 1.00 0.00 WAT1 ATOM 2701 H2 TIP3 398 -28.414 41.987 -36.188 1.00 0.00 WAT1 ATOM 2702 OH2 TIP3 399 -28.385 41.966 -29.050 1.00 0.00 WAT1 ATOM 2703 H1 TIP3 399 -28.690 41.404 -29.791 1.00 0.00 WAT1 ATOM 2704 H2 TIP3 399 -27.576 41.520 -28.734 1.00 0.00 WAT1 ATOM 2705 OH2 TIP3 400 -38.600 41.358 -38.432 1.00 0.00 WAT1 ATOM 2706 H1 TIP3 400 -38.069 41.522 -37.626 1.00 0.00 WAT1 ATOM 2707 H2 TIP3 400 -39.409 40.914 -38.098 1.00 0.00 WAT1 ATOM 2708 OH2 TIP3 401 -31.086 43.515 -36.135 1.00 0.00 WAT1 ATOM 2709 H1 TIP3 401 -31.915 43.133 -36.487 1.00 0.00 WAT1 ATOM 2710 H2 TIP3 401 -31.385 44.293 -35.620 1.00 0.00 WAT1 ATOM 2711 OH2 TIP3 402 -33.882 42.368 -32.619 1.00 0.00 WAT1 ATOM 2712 H1 TIP3 402 -33.399 41.829 -33.293 1.00 0.00 WAT1 ATOM 2713 H2 TIP3 402 -33.272 43.088 -32.415 1.00 0.00 WAT1 ATOM 2714 OH2 TIP3 403 -34.958 50.820 -31.710 1.00 0.00 WAT1 ATOM 2715 H1 TIP3 403 -35.192 50.813 -30.755 1.00 0.00 WAT1 ATOM 2716 H2 TIP3 403 -35.469 51.559 -32.071 1.00 0.00 WAT1 ATOM 2717 OH2 TIP3 404 -37.311 46.510 -35.386 1.00 0.00 WAT1 ATOM 2718 H1 TIP3 404 -36.941 47.319 -35.802 1.00 0.00 WAT1 ATOM 2719 H2 TIP3 404 -36.746 46.366 -34.606 1.00 0.00 WAT1 ATOM 2720 OH2 TIP3 405 -28.473 44.681 -28.755 1.00 0.00 WAT1 ATOM 2721 H1 TIP3 405 -28.491 44.894 -29.717 1.00 0.00 WAT1 ATOM 2722 H2 TIP3 405 -28.504 43.697 -28.731 1.00 0.00 WAT1 ATOM 2723 OH2 TIP3 406 -37.420 49.650 -33.761 1.00 0.00 WAT1 ATOM 2724 H1 TIP3 406 -36.918 49.043 -33.190 1.00 0.00 WAT1 ATOM 2725 H2 TIP3 406 -38.239 49.824 -33.260 1.00 0.00 WAT1 ATOM 2726 OH2 TIP3 407 -29.059 40.049 -30.916 1.00 0.00 WAT1 ATOM 2727 H1 TIP3 407 -29.336 40.313 -31.826 1.00 0.00 WAT1 ATOM 2728 H2 TIP3 407 -28.844 39.088 -31.001 1.00 0.00 WAT1 ATOM 2729 OH2 TIP3 408 -28.541 44.855 -31.480 1.00 0.00 WAT1 ATOM 2730 H1 TIP3 408 -28.500 44.072 -32.042 1.00 0.00 WAT1 ATOM 2731 H2 TIP3 408 -28.643 45.586 -32.097 1.00 0.00 WAT1 ATOM 2732 OH2 TIP3 409 -39.486 40.552 -34.722 1.00 0.00 WAT1 ATOM 2733 H1 TIP3 409 -40.162 40.502 -34.013 1.00 0.00 WAT1 ATOM 2734 H2 TIP3 409 -39.213 39.616 -34.859 1.00 0.00 WAT1 ATOM 2735 OH2 TIP3 410 -38.924 53.823 -30.076 1.00 0.00 WAT1 ATOM 2736 H1 TIP3 410 -38.817 54.726 -29.725 1.00 0.00 WAT1 ATOM 2737 H2 TIP3 410 -38.024 53.580 -30.385 1.00 0.00 WAT1 ATOM 2738 OH2 TIP3 411 -36.298 53.053 -30.253 1.00 0.00 WAT1 ATOM 2739 H1 TIP3 411 -35.379 53.356 -30.082 1.00 0.00 WAT1 ATOM 2740 H2 TIP3 411 -36.590 52.680 -29.397 1.00 0.00 WAT1 ATOM 2741 OH2 TIP3 412 -31.988 46.821 -29.629 1.00 0.00 WAT1 ATOM 2742 H1 TIP3 412 -32.402 47.683 -29.407 1.00 0.00 WAT1 ATOM 2743 H2 TIP3 412 -32.275 46.648 -30.542 1.00 0.00 WAT1 ATOM 2744 OH2 TIP3 413 -36.060 44.074 -31.243 1.00 0.00 WAT1 ATOM 2745 H1 TIP3 413 -36.317 44.354 -30.338 1.00 0.00 WAT1 ATOM 2746 H2 TIP3 413 -35.465 43.326 -31.103 1.00 0.00 WAT1 ATOM 2747 OH2 TIP3 414 -27.865 48.128 -24.560 1.00 0.00 WAT1 ATOM 2748 H1 TIP3 414 -27.270 48.327 -23.807 1.00 0.00 WAT1 ATOM 2749 H2 TIP3 414 -27.345 47.531 -25.123 1.00 0.00 WAT1 ATOM 2750 OH2 TIP3 415 -31.463 39.628 -29.689 1.00 0.00 WAT1 ATOM 2751 H1 TIP3 415 -30.636 39.947 -30.113 1.00 0.00 WAT1 ATOM 2752 H2 TIP3 415 -31.217 39.515 -28.749 1.00 0.00 WAT1 ATOM 2753 OH2 TIP3 416 -30.116 40.639 -33.332 1.00 0.00 WAT1 ATOM 2754 H1 TIP3 416 -31.002 40.759 -33.728 1.00 0.00 WAT1 ATOM 2755 H2 TIP3 416 -29.506 41.033 -33.997 1.00 0.00 WAT1 ATOM 2756 OH2 TIP3 417 -33.144 46.814 -32.357 1.00 0.00 WAT1 ATOM 2757 H1 TIP3 417 -33.247 47.774 -32.342 1.00 0.00 WAT1 ATOM 2758 H2 TIP3 417 -34.035 46.482 -32.585 1.00 0.00 WAT1 ATOM 2759 OH2 TIP3 418 -25.917 44.282 -25.653 1.00 0.00 WAT1 ATOM 2760 H1 TIP3 418 -26.440 45.077 -25.907 1.00 0.00 WAT1 ATOM 2761 H2 TIP3 418 -25.664 43.888 -26.496 1.00 0.00 WAT1 ATOM 2762 OH2 TIP3 419 -32.281 38.617 -32.124 1.00 0.00 WAT1 ATOM 2763 H1 TIP3 419 -31.702 38.897 -32.851 1.00 0.00 WAT1 ATOM 2764 H2 TIP3 419 -31.891 39.035 -31.330 1.00 0.00 WAT1 ATOM 2765 OH2 TIP3 420 -30.760 38.875 -27.101 1.00 0.00 WAT1 ATOM 2766 H1 TIP3 420 -30.746 37.928 -27.387 1.00 0.00 WAT1 ATOM 2767 H2 TIP3 420 -29.809 39.118 -27.042 1.00 0.00 WAT1 ATOM 2768 OH2 TIP3 421 -28.017 39.065 -26.962 1.00 0.00 WAT1 ATOM 2769 H1 TIP3 421 -27.883 38.189 -27.384 1.00 0.00 WAT1 ATOM 2770 H2 TIP3 421 -27.383 39.653 -27.436 1.00 0.00 WAT1 ATOM 2771 OH2 TIP3 422 -34.119 38.962 -29.333 1.00 0.00 WAT1 ATOM 2772 H1 TIP3 422 -34.610 39.375 -30.077 1.00 0.00 WAT1 ATOM 2773 H2 TIP3 422 -33.184 39.219 -29.495 1.00 0.00 WAT1 ATOM 2774 OH2 TIP3 423 -42.852 47.295 -32.542 1.00 0.00 WAT1 ATOM 2775 H1 TIP3 423 -42.709 46.550 -33.166 1.00 0.00 WAT1 ATOM 2776 H2 TIP3 423 -43.808 47.428 -32.548 1.00 0.00 WAT1 ATOM 2777 OH2 TIP3 424 -37.259 41.457 -36.034 1.00 0.00 WAT1 ATOM 2778 H1 TIP3 424 -38.019 41.331 -35.424 1.00 0.00 WAT1 ATOM 2779 H2 TIP3 424 -36.682 42.101 -35.571 1.00 0.00 WAT1 ATOM 2780 OH2 TIP3 425 -33.647 53.671 -29.875 1.00 0.00 WAT1 ATOM 2781 H1 TIP3 425 -33.144 52.848 -30.072 1.00 0.00 WAT1 ATOM 2782 H2 TIP3 425 -33.197 54.349 -30.384 1.00 0.00 WAT1 ATOM 2783 OH2 TIP3 426 -36.620 38.870 -36.692 1.00 0.00 WAT1 ATOM 2784 H1 TIP3 426 -37.262 38.339 -36.187 1.00 0.00 WAT1 ATOM 2785 H2 TIP3 426 -36.802 39.793 -36.415 1.00 0.00 WAT1 ATOM 2786 OH2 TIP3 427 -27.880 36.655 -28.314 1.00 0.00 WAT1 ATOM 2787 H1 TIP3 427 -28.832 36.461 -28.153 1.00 0.00 WAT1 ATOM 2788 H2 TIP3 427 -27.431 35.829 -28.107 1.00 0.00 WAT1 ATOM 2789 OH2 TIP3 428 -35.671 47.126 -17.956 1.00 0.00 WAT1 ATOM 2790 H1 TIP3 428 -35.534 46.335 -17.397 1.00 0.00 WAT1 ATOM 2791 H2 TIP3 428 -35.423 47.871 -17.377 1.00 0.00 WAT1 ATOM 2792 OH2 TIP3 429 -28.593 47.871 -19.300 1.00 0.00 WAT1 ATOM 2793 H1 TIP3 429 -28.292 48.579 -19.905 1.00 0.00 WAT1 ATOM 2794 H2 TIP3 429 -28.029 47.970 -18.519 1.00 0.00 WAT1 ATOM 2795 OH2 TIP3 430 -33.995 47.884 -19.990 1.00 0.00 WAT1 ATOM 2796 H1 TIP3 430 -34.427 47.806 -20.866 1.00 0.00 WAT1 ATOM 2797 H2 TIP3 430 -34.704 47.658 -19.351 1.00 0.00 WAT1 ATOM 2798 OH2 TIP3 431 -41.833 46.887 -26.334 1.00 0.00 WAT1 ATOM 2799 H1 TIP3 431 -41.139 47.392 -25.851 1.00 0.00 WAT1 ATOM 2800 H2 TIP3 431 -41.458 46.003 -26.425 1.00 0.00 WAT1 ATOM 2801 OH2 TIP3 432 -31.037 50.560 -20.580 1.00 0.00 WAT1 ATOM 2802 H1 TIP3 432 -31.287 51.367 -20.084 1.00 0.00 WAT1 ATOM 2803 H2 TIP3 432 -31.635 50.572 -21.371 1.00 0.00 WAT1 ATOM 2804 OH2 TIP3 433 -34.669 49.005 -16.018 1.00 0.00 WAT1 ATOM 2805 H1 TIP3 433 -34.845 49.973 -15.996 1.00 0.00 WAT1 ATOM 2806 H2 TIP3 433 -35.397 48.616 -15.480 1.00 0.00 WAT1 ATOM 2807 OH2 TIP3 434 -27.792 47.763 -16.516 1.00 0.00 WAT1 ATOM 2808 H1 TIP3 434 -28.503 48.015 -15.879 1.00 0.00 WAT1 ATOM 2809 H2 TIP3 434 -27.421 48.622 -16.813 1.00 0.00 WAT1 ATOM 2810 OH2 TIP3 435 -28.574 53.977 -20.848 1.00 0.00 WAT1 ATOM 2811 H1 TIP3 435 -27.901 54.074 -21.530 1.00 0.00 WAT1 ATOM 2812 H2 TIP3 435 -29.421 54.207 -21.310 1.00 0.00 WAT1 ATOM 2813 OH2 TIP3 436 -28.338 50.117 -20.872 1.00 0.00 WAT1 ATOM 2814 H1 TIP3 436 -28.102 49.775 -21.751 1.00 0.00 WAT1 ATOM 2815 H2 TIP3 436 -29.303 50.303 -20.934 1.00 0.00 WAT1 ATOM 2816 OH2 TIP3 437 -22.308 50.227 -16.728 1.00 0.00 WAT1 ATOM 2817 H1 TIP3 437 -21.636 50.602 -16.118 1.00 0.00 WAT1 ATOM 2818 H2 TIP3 437 -23.044 50.883 -16.703 1.00 0.00 WAT1 ATOM 2819 OH2 TIP3 438 -26.373 44.515 -21.356 1.00 0.00 WAT1 ATOM 2820 H1 TIP3 438 -26.453 43.996 -22.180 1.00 0.00 WAT1 ATOM 2821 H2 TIP3 438 -27.293 44.564 -21.016 1.00 0.00 WAT1 ATOM 2822 OH2 TIP3 439 -32.409 48.520 -14.369 1.00 0.00 WAT1 ATOM 2823 H1 TIP3 439 -32.789 48.803 -13.513 1.00 0.00 WAT1 ATOM 2824 H2 TIP3 439 -33.133 48.674 -15.014 1.00 0.00 WAT1 ATOM 2825 OH2 TIP3 440 -27.450 46.259 -26.751 1.00 0.00 WAT1 ATOM 2826 H1 TIP3 440 -28.250 46.809 -26.737 1.00 0.00 WAT1 ATOM 2827 H2 TIP3 440 -27.586 45.669 -27.523 1.00 0.00 WAT1 ATOM 2828 OH2 TIP3 441 -34.492 45.330 -12.246 1.00 0.00 WAT1 ATOM 2829 H1 TIP3 441 -33.748 45.642 -11.694 1.00 0.00 WAT1 ATOM 2830 H2 TIP3 441 -35.145 46.050 -12.194 1.00 0.00 WAT1 ATOM 2831 OH2 TIP3 442 -33.576 51.436 -13.512 1.00 0.00 WAT1 ATOM 2832 H1 TIP3 442 -34.225 51.584 -14.224 1.00 0.00 WAT1 ATOM 2833 H2 TIP3 442 -32.720 51.681 -13.918 1.00 0.00 WAT1 ATOM 2834 OH2 TIP3 443 -20.439 52.165 -12.345 1.00 0.00 WAT1 ATOM 2835 H1 TIP3 443 -20.264 51.299 -11.907 1.00 0.00 WAT1 ATOM 2836 H2 TIP3 443 -21.405 52.307 -12.219 1.00 0.00 WAT1 ATOM 2837 OH2 TIP3 444 -29.668 48.739 -14.797 1.00 0.00 WAT1 ATOM 2838 H1 TIP3 444 -29.399 49.513 -14.266 1.00 0.00 WAT1 ATOM 2839 H2 TIP3 444 -30.642 48.710 -14.698 1.00 0.00 WAT1 ATOM 2840 OH2 TIP3 445 -30.869 54.930 -21.902 1.00 0.00 WAT1 ATOM 2841 H1 TIP3 445 -31.803 54.758 -21.655 1.00 0.00 WAT1 ATOM 2842 H2 TIP3 445 -30.919 55.217 -22.844 1.00 0.00 WAT1 ATOM 2843 OH2 TIP3 446 -37.010 52.395 -22.320 1.00 0.00 WAT1 ATOM 2844 H1 TIP3 446 -37.599 52.526 -23.103 1.00 0.00 WAT1 ATOM 2845 H2 TIP3 446 -37.354 51.600 -21.897 1.00 0.00 WAT1 ATOM 2846 OH2 TIP3 447 -29.973 54.240 -26.708 1.00 0.00 WAT1 ATOM 2847 H1 TIP3 447 -30.500 54.028 -27.486 1.00 0.00 WAT1 ATOM 2848 H2 TIP3 447 -29.156 53.745 -26.831 1.00 0.00 WAT1 ATOM 2849 OH2 TIP3 448 -36.656 47.862 -14.591 1.00 0.00 WAT1 ATOM 2850 H1 TIP3 448 -37.614 47.937 -14.592 1.00 0.00 WAT1 ATOM 2851 H2 TIP3 448 -36.418 47.822 -13.638 1.00 0.00 WAT1 ATOM 2852 OH2 TIP3 449 -35.303 45.085 -16.096 1.00 0.00 WAT1 ATOM 2853 H1 TIP3 449 -34.461 44.874 -15.633 1.00 0.00 WAT1 ATOM 2854 H2 TIP3 449 -35.902 45.352 -15.385 1.00 0.00 WAT1 ATOM 2855 OH2 TIP3 450 -35.948 47.777 -11.976 1.00 0.00 WAT1 ATOM 2856 H1 TIP3 450 -35.110 48.302 -11.997 1.00 0.00 WAT1 ATOM 2857 H2 TIP3 450 -36.356 48.022 -11.138 1.00 0.00 WAT1 ATOM 2858 OH2 TIP3 451 -33.093 48.605 -24.347 1.00 0.00 WAT1 ATOM 2859 H1 TIP3 451 -33.277 49.166 -25.131 1.00 0.00 WAT1 ATOM 2860 H2 TIP3 451 -32.185 48.258 -24.511 1.00 0.00 WAT1 ATOM 2861 OH2 TIP3 452 -26.210 40.382 -28.493 1.00 0.00 WAT1 ATOM 2862 H1 TIP3 452 -26.116 39.919 -29.333 1.00 0.00 WAT1 ATOM 2863 H2 TIP3 452 -25.289 40.672 -28.276 1.00 0.00 WAT1 ATOM 2864 OH2 TIP3 453 -26.984 42.645 -23.618 1.00 0.00 WAT1 ATOM 2865 H1 TIP3 453 -27.504 41.913 -24.010 1.00 0.00 WAT1 ATOM 2866 H2 TIP3 453 -26.709 43.186 -24.389 1.00 0.00 WAT1 ATOM 2867 OH2 TIP3 454 -37.416 47.339 -23.713 1.00 0.00 WAT1 ATOM 2868 H1 TIP3 454 -37.781 46.642 -23.124 1.00 0.00 WAT1 ATOM 2869 H2 TIP3 454 -36.538 47.532 -23.334 1.00 0.00 WAT1 ATOM 2870 OH2 TIP3 455 -31.254 47.008 -21.746 1.00 0.00 WAT1 ATOM 2871 H1 TIP3 455 -30.911 47.441 -22.538 1.00 0.00 WAT1 ATOM 2872 H2 TIP3 455 -31.724 46.224 -22.090 1.00 0.00 WAT1 ATOM 2873 OH2 TIP3 456 -29.173 45.211 -12.023 1.00 0.00 WAT1 ATOM 2874 H1 TIP3 456 -29.905 45.559 -12.583 1.00 0.00 WAT1 ATOM 2875 H2 TIP3 456 -28.564 44.794 -12.664 1.00 0.00 WAT1 ATOM 2876 OH2 TIP3 457 -26.341 49.820 -14.873 1.00 0.00 WAT1 ATOM 2877 H1 TIP3 457 -26.210 50.106 -15.804 1.00 0.00 WAT1 ATOM 2878 H2 TIP3 457 -26.527 48.873 -14.942 1.00 0.00 WAT1 ATOM 2879 OH2 TIP3 458 -22.100 51.749 -9.189 1.00 0.00 WAT1 ATOM 2880 H1 TIP3 458 -22.352 51.940 -10.111 1.00 0.00 WAT1 ATOM 2881 H2 TIP3 458 -22.667 51.005 -8.941 1.00 0.00 WAT1 ATOM 2882 OH2 TIP3 459 -34.780 47.362 -22.564 1.00 0.00 WAT1 ATOM 2883 H1 TIP3 459 -34.283 47.903 -23.220 1.00 0.00 WAT1 ATOM 2884 H2 TIP3 459 -34.258 46.550 -22.486 1.00 0.00 WAT1 ATOM 2885 OH2 TIP3 460 -30.089 51.249 -17.407 1.00 0.00 WAT1 ATOM 2886 H1 TIP3 460 -29.217 51.514 -17.760 1.00 0.00 WAT1 ATOM 2887 H2 TIP3 460 -30.727 51.678 -18.005 1.00 0.00 WAT1 ATOM 2888 OH2 TIP3 461 -30.800 55.725 -24.533 1.00 0.00 WAT1 ATOM 2889 H1 TIP3 461 -30.536 55.131 -25.270 1.00 0.00 WAT1 ATOM 2890 H2 TIP3 461 -30.697 56.610 -24.896 1.00 0.00 WAT1 ATOM 2891 OH2 TIP3 462 -25.369 51.074 -12.626 1.00 0.00 WAT1 ATOM 2892 H1 TIP3 462 -25.828 50.355 -12.146 1.00 0.00 WAT1 ATOM 2893 H2 TIP3 462 -25.428 50.806 -13.565 1.00 0.00 WAT1 ATOM 2894 OH2 TIP3 463 -33.213 44.272 -14.480 1.00 0.00 WAT1 ATOM 2895 H1 TIP3 463 -33.060 43.307 -14.575 1.00 0.00 WAT1 ATOM 2896 H2 TIP3 463 -33.712 44.357 -13.639 1.00 0.00 WAT1 ATOM 2897 OH2 TIP3 464 -30.563 47.754 -24.969 1.00 0.00 WAT1 ATOM 2898 H1 TIP3 464 -30.517 47.300 -25.838 1.00 0.00 WAT1 ATOM 2899 H2 TIP3 464 -29.627 47.982 -24.772 1.00 0.00 WAT1 ATOM 2900 OH2 TIP3 465 -36.088 54.363 -20.262 1.00 0.00 WAT1 ATOM 2901 H1 TIP3 465 -35.162 54.500 -20.533 1.00 0.00 WAT1 ATOM 2902 H2 TIP3 465 -36.453 53.777 -20.949 1.00 0.00 WAT1 ATOM 2903 OH2 TIP3 466 -33.093 50.355 -26.456 1.00 0.00 WAT1 ATOM 2904 H1 TIP3 466 -32.348 50.906 -26.192 1.00 0.00 WAT1 ATOM 2905 H2 TIP3 466 -33.867 50.974 -26.448 1.00 0.00 WAT1 ATOM 2906 OH2 TIP3 467 -35.131 52.083 -26.476 1.00 0.00 WAT1 ATOM 2907 H1 TIP3 467 -35.141 52.892 -25.929 1.00 0.00 WAT1 ATOM 2908 H2 TIP3 467 -35.991 52.103 -26.942 1.00 0.00 WAT1 ATOM 2909 OH2 TIP3 468 -32.772 50.787 -22.604 1.00 0.00 WAT1 ATOM 2910 H1 TIP3 468 -32.998 50.011 -23.152 1.00 0.00 WAT1 ATOM 2911 H2 TIP3 468 -33.395 51.483 -22.904 1.00 0.00 WAT1 ATOM 2912 OH2 TIP3 469 -34.496 52.851 -23.211 1.00 0.00 WAT1 ATOM 2913 H1 TIP3 469 -35.390 52.602 -22.880 1.00 0.00 WAT1 ATOM 2914 H2 TIP3 469 -34.679 53.505 -23.915 1.00 0.00 WAT1 ATOM 2915 OH2 TIP3 470 -24.119 52.274 -16.644 1.00 0.00 WAT1 ATOM 2916 H1 TIP3 470 -24.805 52.919 -16.834 1.00 0.00 WAT1 ATOM 2917 H2 TIP3 470 -23.283 52.795 -16.673 1.00 0.00 WAT1 ATOM 2918 OH2 TIP3 471 -38.722 52.547 -24.436 1.00 0.00 WAT1 ATOM 2919 H1 TIP3 471 -39.326 53.250 -24.700 1.00 0.00 WAT1 ATOM 2920 H2 TIP3 471 -39.070 51.750 -24.891 1.00 0.00 WAT1 ATOM 2921 OH2 TIP3 472 -27.066 52.841 -11.192 1.00 0.00 WAT1 ATOM 2922 H1 TIP3 472 -26.385 53.257 -10.627 1.00 0.00 WAT1 ATOM 2923 H2 TIP3 472 -26.553 52.302 -11.821 1.00 0.00 WAT1 ATOM 2924 OH2 TIP3 473 -32.291 46.495 -10.996 1.00 0.00 WAT1 ATOM 2925 H1 TIP3 473 -31.874 46.431 -11.883 1.00 0.00 WAT1 ATOM 2926 H2 TIP3 473 -32.163 47.425 -10.740 1.00 0.00 WAT1 ATOM 2927 OH2 TIP3 474 -30.147 46.621 -27.544 1.00 0.00 WAT1 ATOM 2928 H1 TIP3 474 -29.632 45.855 -27.871 1.00 0.00 WAT1 ATOM 2929 H2 TIP3 474 -30.808 46.778 -28.253 1.00 0.00 WAT1 ATOM 2930 OH2 TIP3 475 -31.317 46.093 -13.492 1.00 0.00 WAT1 ATOM 2931 H1 TIP3 475 -31.871 45.407 -13.924 1.00 0.00 WAT1 ATOM 2932 H2 TIP3 475 -31.565 46.922 -13.951 1.00 0.00 WAT1 ATOM 2933 OH2 TIP3 476 -29.903 42.534 -14.075 1.00 0.00 WAT1 ATOM 2934 H1 TIP3 476 -29.197 43.204 -14.078 1.00 0.00 WAT1 ATOM 2935 H2 TIP3 476 -29.858 42.144 -13.167 1.00 0.00 WAT1 ATOM 2936 OH2 TIP3 477 -29.281 41.473 -16.499 1.00 0.00 WAT1 ATOM 2937 H1 TIP3 477 -28.414 41.917 -16.550 1.00 0.00 WAT1 ATOM 2938 H2 TIP3 477 -29.607 41.687 -15.601 1.00 0.00 WAT1 ATOM 2939 OH2 TIP3 478 -32.459 41.563 -14.963 1.00 0.00 WAT1 ATOM 2940 H1 TIP3 478 -31.590 41.954 -14.733 1.00 0.00 WAT1 ATOM 2941 H2 TIP3 478 -32.375 40.627 -14.697 1.00 0.00 WAT1 ATOM 2942 OH2 TIP3 479 -32.201 38.944 -13.901 1.00 0.00 WAT1 ATOM 2943 H1 TIP3 479 -32.560 39.458 -13.136 1.00 0.00 WAT1 ATOM 2944 H2 TIP3 479 -32.370 38.025 -13.664 1.00 0.00 WAT1 ATOM 2945 OH2 TIP3 480 -30.775 37.958 -9.021 1.00 0.00 WAT1 ATOM 2946 H1 TIP3 480 -30.050 38.063 -9.645 1.00 0.00 WAT1 ATOM 2947 H2 TIP3 480 -31.132 37.068 -9.217 1.00 0.00 WAT1 ATOM 2948 OH2 TIP3 481 -21.635 53.369 -16.878 1.00 0.00 WAT1 ATOM 2949 H1 TIP3 481 -20.918 53.559 -16.233 1.00 0.00 WAT1 ATOM 2950 H2 TIP3 481 -21.187 53.363 -17.730 1.00 0.00 WAT1 ATOM 2951 OH2 TIP3 482 -19.505 54.475 -11.025 1.00 0.00 WAT1 ATOM 2952 H1 TIP3 482 -19.939 53.727 -11.480 1.00 0.00 WAT1 ATOM 2953 H2 TIP3 482 -19.764 54.363 -10.079 1.00 0.00 WAT1 ATOM 2954 OH2 TIP3 483 -20.185 53.574 -8.554 1.00 0.00 WAT1 ATOM 2955 H1 TIP3 483 -20.926 52.942 -8.692 1.00 0.00 WAT1 ATOM 2956 H2 TIP3 483 -19.668 53.176 -7.827 1.00 0.00 WAT1 ATOM 2957 OH2 TIP3 484 -26.268 48.654 -22.328 1.00 0.00 WAT1 ATOM 2958 H1 TIP3 484 -25.951 49.283 -21.668 1.00 0.00 WAT1 ATOM 2959 H2 TIP3 484 -25.798 47.828 -22.112 1.00 0.00 WAT1 ATOM 2960 OH2 TIP3 485 -24.677 46.665 -21.037 1.00 0.00 WAT1 ATOM 2961 H1 TIP3 485 -25.368 45.979 -21.183 1.00 0.00 WAT1 ATOM 2962 H2 TIP3 485 -23.863 46.139 -20.842 1.00 0.00 WAT1 ATOM 2963 OH2 TIP3 486 -26.600 49.945 -17.603 1.00 0.00 WAT1 ATOM 2964 H1 TIP3 486 -26.952 50.763 -18.016 1.00 0.00 WAT1 ATOM 2965 H2 TIP3 486 -25.895 49.647 -18.224 1.00 0.00 WAT1 ATOM 2966 OH2 TIP3 487 -31.055 40.641 -24.807 1.00 0.00 WAT1 ATOM 2967 H1 TIP3 487 -30.098 40.666 -24.622 1.00 0.00 WAT1 ATOM 2968 H2 TIP3 487 -31.128 40.089 -25.603 1.00 0.00 WAT1 ATOM 2969 OH2 TIP3 488 -37.509 45.001 -19.511 1.00 0.00 WAT1 ATOM 2970 H1 TIP3 488 -37.176 45.839 -19.150 1.00 0.00 WAT1 ATOM 2971 H2 TIP3 488 -36.858 44.330 -19.193 1.00 0.00 WAT1 ATOM 2972 OH2 TIP3 489 -23.757 44.058 -23.823 1.00 0.00 WAT1 ATOM 2973 H1 TIP3 489 -24.453 44.312 -24.457 1.00 0.00 WAT1 ATOM 2974 H2 TIP3 489 -23.158 44.836 -23.799 1.00 0.00 WAT1 ATOM 2975 OH2 TIP3 490 -22.454 39.539 -26.166 1.00 0.00 WAT1 ATOM 2976 H1 TIP3 490 -21.501 39.361 -26.021 1.00 0.00 WAT1 ATOM 2977 H2 TIP3 490 -22.868 39.295 -25.332 1.00 0.00 WAT1 ATOM 2978 OH2 TIP3 491 -43.069 46.892 -19.786 1.00 0.00 WAT1 ATOM 2979 H1 TIP3 491 -43.537 47.369 -19.095 1.00 0.00 WAT1 ATOM 2980 H2 TIP3 491 -43.490 47.203 -20.621 1.00 0.00 WAT1 ATOM 2981 OH2 TIP3 492 -24.773 48.913 -19.386 1.00 0.00 WAT1 ATOM 2982 H1 TIP3 492 -24.794 48.057 -19.863 1.00 0.00 WAT1 ATOM 2983 H2 TIP3 492 -23.818 49.096 -19.270 1.00 0.00 WAT1 ATOM 2984 OH2 TIP3 493 -39.258 40.620 -17.617 1.00 0.00 WAT1 ATOM 2985 H1 TIP3 493 -39.466 40.166 -18.454 1.00 0.00 WAT1 ATOM 2986 H2 TIP3 493 -39.326 41.578 -17.844 1.00 0.00 WAT1 ATOM 2987 OH2 TIP3 494 -34.973 51.752 -15.909 1.00 0.00 WAT1 ATOM 2988 H1 TIP3 494 -35.471 52.567 -15.720 1.00 0.00 WAT1 ATOM 2989 H2 TIP3 494 -34.258 52.048 -16.505 1.00 0.00 WAT1 ATOM 2990 OH2 TIP3 495 -28.436 50.772 -13.368 1.00 0.00 WAT1 ATOM 2991 H1 TIP3 495 -27.653 50.570 -13.928 1.00 0.00 WAT1 ATOM 2992 H2 TIP3 495 -28.690 51.687 -13.635 1.00 0.00 WAT1 ATOM 2993 OH2 TIP3 496 -29.445 51.387 -10.820 1.00 0.00 WAT1 ATOM 2994 H1 TIP3 496 -28.793 52.117 -10.764 1.00 0.00 WAT1 ATOM 2995 H2 TIP3 496 -29.381 51.089 -11.744 1.00 0.00 WAT1 ATOM 2996 OH2 TIP3 497 -36.762 55.287 -17.699 1.00 0.00 WAT1 ATOM 2997 H1 TIP3 497 -37.434 55.931 -17.937 1.00 0.00 WAT1 ATOM 2998 H2 TIP3 497 -36.511 54.875 -18.557 1.00 0.00 WAT1 ATOM 2999 OH2 TIP3 498 -29.135 54.805 -16.372 1.00 0.00 WAT1 ATOM 3000 H1 TIP3 498 -28.421 55.426 -16.532 1.00 0.00 WAT1 ATOM 3001 H2 TIP3 498 -29.681 54.852 -17.188 1.00 0.00 WAT1 ATOM 3002 OH2 TIP3 499 -29.142 53.331 -14.078 1.00 0.00 WAT1 ATOM 3003 H1 TIP3 499 -29.083 53.838 -14.925 1.00 0.00 WAT1 ATOM 3004 H2 TIP3 499 -28.924 53.981 -13.397 1.00 0.00 WAT1 ATOM 3005 OH2 TIP3 500 -33.301 54.088 -21.063 1.00 0.00 WAT1 ATOM 3006 H1 TIP3 500 -33.569 53.540 -21.833 1.00 0.00 WAT1 ATOM 3007 H2 TIP3 500 -32.871 53.459 -20.457 1.00 0.00 WAT1 ATOM 3008 OH2 TIP3 501 -31.736 52.769 -19.056 1.00 0.00 WAT1 ATOM 3009 H1 TIP3 501 -32.365 52.973 -18.317 1.00 0.00 WAT1 ATOM 3010 H2 TIP3 501 -31.143 53.551 -19.080 1.00 0.00 WAT1 ATOM 3011 OH2 TIP3 502 -23.405 39.350 -21.992 1.00 0.00 WAT1 ATOM 3012 H1 TIP3 502 -22.592 39.828 -21.727 1.00 0.00 WAT1 ATOM 3013 H2 TIP3 502 -24.003 40.065 -22.304 1.00 0.00 WAT1 ATOM 3014 OH2 TIP3 503 -28.290 40.278 -24.500 1.00 0.00 WAT1 ATOM 3015 H1 TIP3 503 -28.110 39.946 -25.408 1.00 0.00 WAT1 ATOM 3016 H2 TIP3 503 -28.324 39.467 -23.955 1.00 0.00 WAT1 ATOM 3017 OH2 TIP3 504 -42.139 52.069 -25.329 1.00 0.00 WAT1 ATOM 3018 H1 TIP3 504 -41.377 51.484 -25.521 1.00 0.00 WAT1 ATOM 3019 H2 TIP3 504 -41.931 52.892 -25.804 1.00 0.00 WAT1 ATOM 3020 OH2 TIP3 505 -34.534 41.106 -17.105 1.00 0.00 WAT1 ATOM 3021 H1 TIP3 505 -35.293 40.608 -16.722 1.00 0.00 WAT1 ATOM 3022 H2 TIP3 505 -33.932 41.247 -16.347 1.00 0.00 WAT1 ATOM 3023 OH2 TIP3 506 -33.256 40.259 -11.810 1.00 0.00 WAT1 ATOM 3024 H1 TIP3 506 -34.054 40.795 -11.848 1.00 0.00 WAT1 ATOM 3025 H2 TIP3 506 -32.748 40.638 -11.060 1.00 0.00 WAT1 ATOM 3026 OH2 TIP3 507 -38.366 54.539 -26.944 1.00 0.00 WAT1 ATOM 3027 H1 TIP3 507 -38.323 55.276 -27.587 1.00 0.00 WAT1 ATOM 3028 H2 TIP3 507 -39.328 54.375 -26.838 1.00 0.00 WAT1 ATOM 3029 OH2 TIP3 508 -23.152 52.385 -11.678 1.00 0.00 WAT1 ATOM 3030 H1 TIP3 508 -23.834 51.919 -12.210 1.00 0.00 WAT1 ATOM 3031 H2 TIP3 508 -23.674 52.936 -11.058 1.00 0.00 WAT1 ATOM 3032 OH2 TIP3 509 -26.327 51.001 -5.165 1.00 0.00 WAT1 ATOM 3033 H1 TIP3 509 -26.537 50.188 -5.666 1.00 0.00 WAT1 ATOM 3034 H2 TIP3 509 -26.821 50.909 -4.346 1.00 0.00 WAT1 ATOM 3035 OH2 TIP3 510 -24.464 45.453 -3.273 1.00 0.00 WAT1 ATOM 3036 H1 TIP3 510 -23.540 45.119 -3.310 1.00 0.00 WAT1 ATOM 3037 H2 TIP3 510 -24.511 46.097 -3.986 1.00 0.00 WAT1 ATOM 3038 OH2 TIP3 511 -21.025 39.922 -0.598 1.00 0.00 WAT1 ATOM 3039 H1 TIP3 511 -21.074 40.263 0.321 1.00 0.00 WAT1 ATOM 3040 H2 TIP3 511 -20.889 40.719 -1.139 1.00 0.00 WAT1 ATOM 3041 OH2 TIP3 512 -27.628 41.673 1.608 1.00 0.00 WAT1 ATOM 3042 H1 TIP3 512 -28.261 41.310 2.266 1.00 0.00 WAT1 ATOM 3043 H2 TIP3 512 -26.916 40.998 1.565 1.00 0.00 WAT1 ATOM 3044 OH2 TIP3 513 -33.889 40.971 -3.358 1.00 0.00 WAT1 ATOM 3045 H1 TIP3 513 -33.943 41.945 -3.447 1.00 0.00 WAT1 ATOM 3046 H2 TIP3 513 -33.030 40.741 -3.768 1.00 0.00 WAT1 ATOM 3047 OH2 TIP3 514 -31.433 44.844 -2.793 1.00 0.00 WAT1 ATOM 3048 H1 TIP3 514 -31.679 45.339 -1.989 1.00 0.00 WAT1 ATOM 3049 H2 TIP3 514 -31.387 43.914 -2.491 1.00 0.00 WAT1 ATOM 3050 OH2 TIP3 515 -21.277 40.917 1.949 1.00 0.00 WAT1 ATOM 3051 H1 TIP3 515 -20.925 41.818 1.810 1.00 0.00 WAT1 ATOM 3052 H2 TIP3 515 -22.183 41.068 2.309 1.00 0.00 WAT1 ATOM 3053 OH2 TIP3 516 -26.699 48.893 -6.899 1.00 0.00 WAT1 ATOM 3054 H1 TIP3 516 -27.037 49.339 -7.707 1.00 0.00 WAT1 ATOM 3055 H2 TIP3 516 -27.474 48.388 -6.564 1.00 0.00 WAT1 ATOM 3056 OH2 TIP3 517 -33.355 42.041 -0.393 1.00 0.00 WAT1 ATOM 3057 H1 TIP3 517 -32.784 42.023 -1.192 1.00 0.00 WAT1 ATOM 3058 H2 TIP3 517 -34.237 41.841 -0.731 1.00 0.00 WAT1 ATOM 3059 OH2 TIP3 518 -23.047 38.121 -0.652 1.00 0.00 WAT1 ATOM 3060 H1 TIP3 518 -23.712 38.626 -1.140 1.00 0.00 WAT1 ATOM 3061 H2 TIP3 518 -22.238 38.688 -0.694 1.00 0.00 WAT1 ATOM 3062 OH2 TIP3 519 -31.754 38.766 0.818 1.00 0.00 WAT1 ATOM 3063 H1 TIP3 519 -32.703 38.652 0.926 1.00 0.00 WAT1 ATOM 3064 H2 TIP3 519 -31.606 39.720 0.983 1.00 0.00 WAT1 ATOM 3065 OH2 TIP3 520 -19.888 53.300 -4.271 1.00 0.00 WAT1 ATOM 3066 H1 TIP3 520 -20.283 54.132 -4.552 1.00 0.00 WAT1 ATOM 3067 H2 TIP3 520 -20.104 53.237 -3.336 1.00 0.00 WAT1 ATOM 3068 OH2 TIP3 521 -25.753 43.359 2.780 1.00 0.00 WAT1 ATOM 3069 H1 TIP3 521 -25.793 44.261 2.446 1.00 0.00 WAT1 ATOM 3070 H2 TIP3 521 -26.544 42.926 2.403 1.00 0.00 WAT1 ATOM 3071 OH2 TIP3 522 -24.168 48.454 -6.060 1.00 0.00 WAT1 ATOM 3072 H1 TIP3 522 -25.056 48.475 -6.480 1.00 0.00 WAT1 ATOM 3073 H2 TIP3 522 -24.191 49.181 -5.428 1.00 0.00 WAT1 ATOM 3074 OH2 TIP3 523 -30.130 45.766 -5.096 1.00 0.00 WAT1 ATOM 3075 H1 TIP3 523 -30.657 45.485 -5.871 1.00 0.00 WAT1 ATOM 3076 H2 TIP3 523 -30.634 45.430 -4.327 1.00 0.00 WAT1 ATOM 3077 OH2 TIP3 524 -33.895 43.747 -3.542 1.00 0.00 WAT1 ATOM 3078 H1 TIP3 524 -33.056 44.184 -3.300 1.00 0.00 WAT1 ATOM 3079 H2 TIP3 524 -33.997 43.951 -4.502 1.00 0.00 WAT1 ATOM 3080 OH2 TIP3 525 -33.694 44.411 -6.156 1.00 0.00 WAT1 ATOM 3081 H1 TIP3 525 -34.254 44.211 -6.910 1.00 0.00 WAT1 ATOM 3082 H2 TIP3 525 -32.906 44.841 -6.551 1.00 0.00 WAT1 ATOM 3083 OH2 TIP3 526 -18.894 52.123 -6.556 1.00 0.00 WAT1 ATOM 3084 H1 TIP3 526 -19.235 51.198 -6.601 1.00 0.00 WAT1 ATOM 3085 H2 TIP3 526 -19.204 52.450 -5.682 1.00 0.00 WAT1 ATOM 3086 OH2 TIP3 527 -17.882 39.473 6.899 1.00 0.00 WAT1 ATOM 3087 H1 TIP3 527 -17.880 39.908 6.023 1.00 0.00 WAT1 ATOM 3088 H2 TIP3 527 -18.679 38.897 6.876 1.00 0.00 WAT1 ATOM 3089 OH2 TIP3 528 -31.307 41.432 1.266 1.00 0.00 WAT1 ATOM 3090 H1 TIP3 528 -32.162 41.713 0.865 1.00 0.00 WAT1 ATOM 3091 H2 TIP3 528 -30.632 41.934 0.762 1.00 0.00 WAT1 ATOM 3092 OH2 TIP3 529 -34.800 45.401 -1.506 1.00 0.00 WAT1 ATOM 3093 H1 TIP3 529 -34.664 44.788 -2.255 1.00 0.00 WAT1 ATOM 3094 H2 TIP3 529 -35.654 45.804 -1.682 1.00 0.00 WAT1 ATOM 3095 OH2 TIP3 530 -31.889 41.590 -9.853 1.00 0.00 WAT1 ATOM 3096 H1 TIP3 530 -31.562 41.269 -9.003 1.00 0.00 WAT1 ATOM 3097 H2 TIP3 530 -31.688 42.554 -9.841 1.00 0.00 WAT1 ATOM 3098 OH2 TIP3 531 -31.242 42.176 -2.169 1.00 0.00 WAT1 ATOM 3099 H1 TIP3 531 -31.118 41.406 -2.758 1.00 0.00 WAT1 ATOM 3100 H2 TIP3 531 -30.492 42.124 -1.536 1.00 0.00 WAT1 ATOM 3101 OH2 TIP3 532 -25.864 40.205 -2.002 1.00 0.00 WAT1 ATOM 3102 H1 TIP3 532 -26.468 39.531 -1.635 1.00 0.00 WAT1 ATOM 3103 H2 TIP3 532 -26.057 40.197 -2.956 1.00 0.00 WAT1 ATOM 3104 OH2 TIP3 533 -31.497 45.487 -7.537 1.00 0.00 WAT1 ATOM 3105 H1 TIP3 533 -31.294 44.892 -8.287 1.00 0.00 WAT1 ATOM 3106 H2 TIP3 533 -31.214 46.371 -7.853 1.00 0.00 WAT1 ATOM 3107 OH2 TIP3 534 -29.369 42.734 -0.197 1.00 0.00 WAT1 ATOM 3108 H1 TIP3 534 -29.310 43.691 -0.078 1.00 0.00 WAT1 ATOM 3109 H2 TIP3 534 -28.604 42.378 0.316 1.00 0.00 WAT1 ATOM 3110 OH2 TIP3 535 -31.333 40.369 -4.464 1.00 0.00 WAT1 ATOM 3111 H1 TIP3 535 -31.456 39.637 -5.107 1.00 0.00 WAT1 ATOM 3112 H2 TIP3 535 -30.565 40.866 -4.814 1.00 0.00 WAT1 ATOM 3113 OH2 TIP3 536 -32.481 44.717 -0.219 1.00 0.00 WAT1 ATOM 3114 H1 TIP3 536 -33.304 45.186 -0.477 1.00 0.00 WAT1 ATOM 3115 H2 TIP3 536 -32.778 43.816 -0.018 1.00 0.00 WAT1 ATOM 3116 OH2 TIP3 537 -30.231 47.810 -8.451 1.00 0.00 WAT1 ATOM 3117 H1 TIP3 537 -29.537 47.594 -9.109 1.00 0.00 WAT1 ATOM 3118 H2 TIP3 537 -29.739 47.930 -7.614 1.00 0.00 WAT1 ATOM 3119 OH2 TIP3 538 -27.622 50.336 -8.989 1.00 0.00 WAT1 ATOM 3120 H1 TIP3 538 -28.472 50.765 -9.208 1.00 0.00 WAT1 ATOM 3121 H2 TIP3 538 -27.320 49.966 -9.846 1.00 0.00 WAT1 ATOM 3122 OH2 TIP3 539 -25.576 51.732 -7.740 1.00 0.00 WAT1 ATOM 3123 H1 TIP3 539 -26.419 51.370 -8.079 1.00 0.00 WAT1 ATOM 3124 H2 TIP3 539 -25.679 51.701 -6.764 1.00 0.00 WAT1 ATOM 3125 OH2 TIP3 540 -24.069 44.790 -0.624 1.00 0.00 WAT1 ATOM 3126 H1 TIP3 540 -24.395 45.058 -1.508 1.00 0.00 WAT1 ATOM 3127 H2 TIP3 540 -24.292 43.840 -0.565 1.00 0.00 WAT1 ATOM 3128 OH2 TIP3 541 -29.066 48.059 -5.941 1.00 0.00 WAT1 ATOM 3129 H1 TIP3 541 -29.666 48.622 -5.438 1.00 0.00 WAT1 ATOM 3130 H2 TIP3 541 -29.273 47.145 -5.620 1.00 0.00 WAT1 ATOM 3131 OH2 TIP3 542 -21.941 48.539 -9.949 1.00 0.00 WAT1 ATOM 3132 H1 TIP3 542 -21.715 48.188 -9.058 1.00 0.00 WAT1 ATOM 3133 H2 TIP3 542 -22.790 49.012 -9.807 1.00 0.00 WAT1 ATOM 3134 OH2 TIP3 543 -21.813 47.864 -7.297 1.00 0.00 WAT1 ATOM 3135 H1 TIP3 543 -22.684 48.127 -6.918 1.00 0.00 WAT1 ATOM 3136 H2 TIP3 543 -21.615 47.009 -6.858 1.00 0.00 WAT1 ATOM 3137 OH2 TIP3 544 -26.979 49.214 -11.392 1.00 0.00 WAT1 ATOM 3138 H1 TIP3 544 -27.634 49.564 -12.027 1.00 0.00 WAT1 ATOM 3139 H2 TIP3 544 -27.384 48.372 -11.070 1.00 0.00 WAT1 ATOM 3140 OH2 TIP3 545 -31.457 49.330 -10.380 1.00 0.00 WAT1 ATOM 3141 H1 TIP3 545 -31.088 48.874 -9.593 1.00 0.00 WAT1 ATOM 3142 H2 TIP3 545 -30.894 50.123 -10.481 1.00 0.00 WAT1 ATOM 3143 OH2 TIP3 546 -23.394 38.031 2.099 1.00 0.00 WAT1 ATOM 3144 H1 TIP3 546 -23.266 38.045 1.129 1.00 0.00 WAT1 ATOM 3145 H2 TIP3 546 -22.720 37.381 2.418 1.00 0.00 WAT1 ATOM 3146 OH2 TIP3 547 -21.657 42.764 -1.101 1.00 0.00 WAT1 ATOM 3147 H1 TIP3 547 -22.565 42.493 -0.860 1.00 0.00 WAT1 ATOM 3148 H2 TIP3 547 -21.242 42.999 -0.251 1.00 0.00 WAT1 ATOM 3149 OH2 TIP3 548 -24.813 53.486 -9.703 1.00 0.00 WAT1 ATOM 3150 H1 TIP3 548 -24.995 52.874 -8.951 1.00 0.00 WAT1 ATOM 3151 H2 TIP3 548 -24.414 54.258 -9.285 1.00 0.00 WAT1 ATOM 3152 OH2 TIP3 549 -33.678 49.253 -11.966 1.00 0.00 WAT1 ATOM 3153 H1 TIP3 549 -32.947 49.346 -11.314 1.00 0.00 WAT1 ATOM 3154 H2 TIP3 549 -33.735 50.144 -12.392 1.00 0.00 WAT1 ATOM 3155 OH2 TIP3 550 -24.268 49.893 -9.404 1.00 0.00 WAT1 ATOM 3156 H1 TIP3 550 -24.690 50.489 -8.750 1.00 0.00 WAT1 ATOM 3157 H2 TIP3 550 -24.950 49.756 -10.074 1.00 0.00 WAT1 ATOM 3158 OH2 TIP3 551 -28.269 47.078 -10.259 1.00 0.00 WAT1 ATOM 3159 H1 TIP3 551 -28.615 46.413 -10.900 1.00 0.00 WAT1 ATOM 3160 H2 TIP3 551 -27.963 46.537 -9.494 1.00 0.00 WAT1 ATOM 3161 OH2 TIP3 552 -31.089 44.237 -10.033 1.00 0.00 WAT1 ATOM 3162 H1 TIP3 552 -31.630 45.007 -10.316 1.00 0.00 WAT1 ATOM 3163 H2 TIP3 552 -30.304 44.276 -10.612 1.00 0.00 WAT1 ATOM 3164 OH2 TIP3 553 -21.626 45.468 -5.921 1.00 0.00 WAT1 ATOM 3165 H1 TIP3 553 -21.780 45.119 -5.017 1.00 0.00 WAT1 ATOM 3166 H2 TIP3 553 -22.221 44.939 -6.488 1.00 0.00 WAT1 ATOM 3167 OH2 TIP3 554 -21.869 44.577 -3.260 1.00 0.00 WAT1 ATOM 3168 H1 TIP3 554 -21.063 45.065 -2.983 1.00 0.00 WAT1 ATOM 3169 H2 TIP3 554 -21.881 43.790 -2.671 1.00 0.00 WAT1 ATOM 3170 OH2 TIP3 555 -15.975 42.200 5.008 1.00 0.00 WAT1 ATOM 3171 H1 TIP3 555 -15.217 41.680 4.668 1.00 0.00 WAT1 ATOM 3172 H2 TIP3 555 -16.754 41.660 4.786 1.00 0.00 WAT1 ATOM 3173 OH2 TIP3 556 -24.342 41.994 -0.436 1.00 0.00 WAT1 ATOM 3174 H1 TIP3 556 -24.454 41.611 0.447 1.00 0.00 WAT1 ATOM 3175 H2 TIP3 556 -24.855 41.394 -1.025 1.00 0.00 WAT1 ATOM 3176 OH2 TIP3 557 -23.761 41.542 2.864 1.00 0.00 WAT1 ATOM 3177 H1 TIP3 557 -24.380 40.800 2.744 1.00 0.00 WAT1 ATOM 3178 H2 TIP3 557 -24.345 42.333 2.921 1.00 0.00 WAT1 ATOM 3179 OH2 TIP3 558 -20.040 37.820 6.546 1.00 0.00 WAT1 ATOM 3180 H1 TIP3 558 -20.418 38.061 5.681 1.00 0.00 WAT1 ATOM 3181 H2 TIP3 558 -20.001 36.833 6.527 1.00 0.00 WAT1 ATOM 3182 OH2 TIP3 559 -18.367 40.689 4.429 1.00 0.00 WAT1 ATOM 3183 H1 TIP3 559 -19.049 40.023 4.183 1.00 0.00 WAT1 ATOM 3184 H2 TIP3 559 -18.364 41.322 3.670 1.00 0.00 WAT1 ATOM 3185 OH2 TIP3 560 -20.473 38.939 3.758 1.00 0.00 WAT1 ATOM 3186 H1 TIP3 560 -20.831 39.576 3.104 1.00 0.00 WAT1 ATOM 3187 H2 TIP3 560 -20.845 38.074 3.478 1.00 0.00 WAT1 ATOM 3188 OH2 TIP3 561 -27.903 38.188 -1.706 1.00 0.00 WAT1 ATOM 3189 H1 TIP3 561 -28.426 37.978 -0.904 1.00 0.00 WAT1 ATOM 3190 H2 TIP3 561 -27.847 37.337 -2.183 1.00 0.00 WAT1 ATOM 3191 OH2 TIP3 562 -20.559 34.203 -1.847 1.00 0.00 WAT1 ATOM 3192 H1 TIP3 562 -19.733 34.091 -1.364 1.00 0.00 WAT1 ATOM 3193 H2 TIP3 562 -21.089 34.811 -1.282 1.00 0.00 WAT1 ATOM 3194 OH2 TIP3 563 -36.015 39.302 -3.714 1.00 0.00 WAT1 ATOM 3195 H1 TIP3 563 -35.207 39.842 -3.553 1.00 0.00 WAT1 ATOM 3196 H2 TIP3 563 -36.723 39.949 -3.775 1.00 0.00 WAT1 ATOM 3197 OH2 TIP3 564 -32.035 36.768 -3.001 1.00 0.00 WAT1 ATOM 3198 H1 TIP3 564 -32.604 36.171 -3.538 1.00 0.00 WAT1 ATOM 3199 H2 TIP3 564 -32.541 37.587 -2.942 1.00 0.00 WAT1 ATOM 3200 OH2 TIP3 565 -27.557 39.343 -4.169 1.00 0.00 WAT1 ATOM 3201 H1 TIP3 565 -27.930 39.044 -3.318 1.00 0.00 WAT1 ATOM 3202 H2 TIP3 565 -28.240 39.923 -4.542 1.00 0.00 WAT1 ATOM 3203 OH2 TIP3 566 -29.694 41.662 -11.521 1.00 0.00 WAT1 ATOM 3204 H1 TIP3 566 -30.573 41.469 -11.147 1.00 0.00 WAT1 ATOM 3205 H2 TIP3 566 -29.132 41.814 -10.735 1.00 0.00 WAT1 ATOM 3206 OH2 TIP3 567 -23.517 38.820 7.328 1.00 0.00 WAT1 ATOM 3207 H1 TIP3 567 -24.294 39.372 7.456 1.00 0.00 WAT1 ATOM 3208 H2 TIP3 567 -23.557 38.568 6.373 1.00 0.00 WAT1 ATOM 3209 OH2 TIP3 568 -20.600 36.633 10.718 1.00 0.00 WAT1 ATOM 3210 H1 TIP3 568 -20.996 36.902 11.550 1.00 0.00 WAT1 ATOM 3211 H2 TIP3 568 -20.832 37.356 10.096 1.00 0.00 WAT1 ATOM 3212 OH2 TIP3 569 -29.602 40.783 3.316 1.00 0.00 WAT1 ATOM 3213 H1 TIP3 569 -30.322 40.967 2.669 1.00 0.00 WAT1 ATOM 3214 H2 TIP3 569 -29.952 41.102 4.156 1.00 0.00 WAT1 ATOM 3215 OH2 TIP3 570 -21.278 38.587 8.857 1.00 0.00 WAT1 ATOM 3216 H1 TIP3 570 -22.157 38.710 8.429 1.00 0.00 WAT1 ATOM 3217 H2 TIP3 570 -20.706 38.259 8.127 1.00 0.00 WAT1 ATOM 3218 OH2 TIP3 571 -35.650 54.504 -25.192 1.00 0.00 WAT1 ATOM 3219 H1 TIP3 571 -35.460 55.427 -25.395 1.00 0.00 WAT1 ATOM 3220 H2 TIP3 571 -36.589 54.395 -25.430 1.00 0.00 WAT1 ATOM 3221 OH2 TIP3 572 -33.022 53.468 -16.812 1.00 0.00 WAT1 ATOM 3222 H1 TIP3 572 -32.448 53.174 -16.073 1.00 0.00 WAT1 ATOM 3223 H2 TIP3 572 -33.689 54.050 -16.382 1.00 0.00 WAT1 ATOM 3224 OH2 TIP3 573 -31.372 52.089 -15.087 1.00 0.00 WAT1 ATOM 3225 H1 TIP3 573 -30.635 52.552 -14.636 1.00 0.00 WAT1 ATOM 3226 H2 TIP3 573 -30.938 51.624 -15.837 1.00 0.00 WAT1 ATOM 3227 OH2 TIP3 574 -35.206 54.618 -15.583 1.00 0.00 WAT1 ATOM 3228 H1 TIP3 574 -35.786 54.870 -16.345 1.00 0.00 WAT1 ATOM 3229 H2 TIP3 574 -35.470 55.219 -14.878 1.00 0.00 WAT1 ATOM 3230 OH2 TIP3 575 -38.832 56.405 -28.964 1.00 0.00 WAT1 ATOM 3231 H1 TIP3 575 -39.781 56.270 -29.200 1.00 0.00 WAT1 ATOM 3232 H2 TIP3 575 -38.620 57.272 -29.326 1.00 0.00 WAT1 ATOM 3233 OH2 TIP3 576 -30.160 55.051 -18.921 1.00 0.00 WAT1 ATOM 3234 H1 TIP3 576 -30.703 55.629 -19.481 1.00 0.00 WAT1 ATOM 3235 H2 TIP3 576 -29.427 54.771 -19.510 1.00 0.00 WAT1 ATOM 3236 OH2 TIP3 577 -27.870 51.992 -18.965 1.00 0.00 WAT1 ATOM 3237 H1 TIP3 577 -27.970 51.304 -19.662 1.00 0.00 WAT1 ATOM 3238 H2 TIP3 577 -27.987 52.832 -19.447 1.00 0.00 WAT1 ATOM 3239 OH2 TIP3 578 -4.122 -18.988 9.593 1.00 0.00 WAT1 ATOM 3240 H1 TIP3 578 -3.458 -19.584 9.994 1.00 0.00 WAT1 ATOM 3241 H2 TIP3 578 -3.673 -18.120 9.547 1.00 0.00 WAT1 ATOM 3242 OH2 TIP3 579 -13.462 -21.898 12.077 1.00 0.00 WAT1 ATOM 3243 H1 TIP3 579 -14.419 -22.081 12.233 1.00 0.00 WAT1 ATOM 3244 H2 TIP3 579 -13.461 -21.247 11.337 1.00 0.00 WAT1 ATOM 3245 OH2 TIP3 580 -10.807 -20.310 10.387 1.00 0.00 WAT1 ATOM 3246 H1 TIP3 580 -11.751 -20.243 10.138 1.00 0.00 WAT1 ATOM 3247 H2 TIP3 580 -10.639 -21.276 10.422 1.00 0.00 WAT1 ATOM 3248 OH2 TIP3 581 -5.300 -25.529 10.434 1.00 0.00 WAT1 ATOM 3249 H1 TIP3 581 -5.685 -25.615 11.334 1.00 0.00 WAT1 ATOM 3250 H2 TIP3 581 -4.890 -24.640 10.437 1.00 0.00 WAT1 ATOM 3251 OH2 TIP3 582 -10.680 -16.674 8.682 1.00 0.00 WAT1 ATOM 3252 H1 TIP3 582 -11.113 -15.862 8.356 1.00 0.00 WAT1 ATOM 3253 H2 TIP3 582 -9.771 -16.615 8.340 1.00 0.00 WAT1 ATOM 3254 OH2 TIP3 583 -6.606 -19.417 8.650 1.00 0.00 WAT1 ATOM 3255 H1 TIP3 583 -5.709 -19.261 9.044 1.00 0.00 WAT1 ATOM 3256 H2 TIP3 583 -6.441 -20.036 7.930 1.00 0.00 WAT1 ATOM 3257 OH2 TIP3 584 -8.124 -26.683 20.064 1.00 0.00 WAT1 ATOM 3258 H1 TIP3 584 -8.312 -27.596 20.361 1.00 0.00 WAT1 ATOM 3259 H2 TIP3 584 -8.706 -26.564 19.284 1.00 0.00 WAT1 ATOM 3260 OH2 TIP3 585 -9.294 -28.897 22.906 1.00 0.00 WAT1 ATOM 3261 H1 TIP3 585 -10.272 -28.965 23.023 1.00 0.00 WAT1 ATOM 3262 H2 TIP3 585 -9.144 -29.175 21.974 1.00 0.00 WAT1 ATOM 3263 OH2 TIP3 586 -21.602 -23.092 16.442 1.00 0.00 WAT1 ATOM 3264 H1 TIP3 586 -22.328 -22.636 16.880 1.00 0.00 WAT1 ATOM 3265 H2 TIP3 586 -22.034 -23.742 15.878 1.00 0.00 WAT1 ATOM 3266 OH2 TIP3 587 -8.764 -26.667 24.372 1.00 0.00 WAT1 ATOM 3267 H1 TIP3 587 -9.061 -27.426 23.817 1.00 0.00 WAT1 ATOM 3268 H2 TIP3 587 -8.113 -27.054 24.969 1.00 0.00 WAT1 ATOM 3269 OH2 TIP3 588 -8.545 -29.421 20.349 1.00 0.00 WAT1 ATOM 3270 H1 TIP3 588 -9.298 -29.431 19.710 1.00 0.00 WAT1 ATOM 3271 H2 TIP3 588 -7.925 -30.071 19.994 1.00 0.00 WAT1 ATOM 3272 OH2 TIP3 589 -2.472 -29.272 19.859 1.00 0.00 WAT1 ATOM 3273 H1 TIP3 589 -3.240 -29.267 20.474 1.00 0.00 WAT1 ATOM 3274 H2 TIP3 589 -2.004 -28.433 20.057 1.00 0.00 WAT1 ATOM 3275 OH2 TIP3 590 -9.784 -26.601 17.802 1.00 0.00 WAT1 ATOM 3276 H1 TIP3 590 -9.328 -27.040 17.055 1.00 0.00 WAT1 ATOM 3277 H2 TIP3 590 -10.496 -26.073 17.367 1.00 0.00 WAT1 ATOM 3278 OH2 TIP3 591 -12.620 -26.005 23.590 1.00 0.00 WAT1 ATOM 3279 H1 TIP3 591 -13.079 -25.222 23.952 1.00 0.00 WAT1 ATOM 3280 H2 TIP3 591 -12.744 -25.926 22.631 1.00 0.00 WAT1 ATOM 3281 OH2 TIP3 592 -14.015 -24.371 21.545 1.00 0.00 WAT1 ATOM 3282 H1 TIP3 592 -14.919 -24.683 21.436 1.00 0.00 WAT1 ATOM 3283 H2 TIP3 592 -14.011 -23.941 22.425 1.00 0.00 WAT1 ATOM 3284 OH2 TIP3 593 -9.638 -30.085 12.966 1.00 0.00 WAT1 ATOM 3285 H1 TIP3 593 -9.794 -31.031 13.046 1.00 0.00 WAT1 ATOM 3286 H2 TIP3 593 -8.763 -29.949 13.394 1.00 0.00 WAT1 ATOM 3287 OH2 TIP3 594 -6.660 -26.133 16.559 1.00 0.00 WAT1 ATOM 3288 H1 TIP3 594 -7.425 -26.658 16.280 1.00 0.00 WAT1 ATOM 3289 H2 TIP3 594 -5.970 -26.803 16.757 1.00 0.00 WAT1 ATOM 3290 OH2 TIP3 595 -4.479 -29.040 21.708 1.00 0.00 WAT1 ATOM 3291 H1 TIP3 595 -3.860 -28.622 22.344 1.00 0.00 WAT1 ATOM 3292 H2 TIP3 595 -5.257 -29.271 22.251 1.00 0.00 WAT1 ATOM 3293 OH2 TIP3 596 -11.809 -21.662 18.060 1.00 0.00 WAT1 ATOM 3294 H1 TIP3 596 -12.166 -21.868 18.945 1.00 0.00 WAT1 ATOM 3295 H2 TIP3 596 -12.328 -22.234 17.452 1.00 0.00 WAT1 ATOM 3296 OH2 TIP3 597 -10.020 -20.293 26.835 1.00 0.00 WAT1 ATOM 3297 H1 TIP3 597 -10.073 -21.271 26.955 1.00 0.00 WAT1 ATOM 3298 H2 TIP3 597 -10.187 -19.940 27.713 1.00 0.00 WAT1 ATOM 3299 OH2 TIP3 598 -6.346 -25.836 12.939 1.00 0.00 WAT1 ATOM 3300 H1 TIP3 598 -5.972 -26.664 13.325 1.00 0.00 WAT1 ATOM 3301 H2 TIP3 598 -7.309 -25.904 13.112 1.00 0.00 WAT1 ATOM 3302 OH2 TIP3 599 -13.350 -23.377 24.025 1.00 0.00 WAT1 ATOM 3303 H1 TIP3 599 -12.506 -22.942 23.761 1.00 0.00 WAT1 ATOM 3304 H2 TIP3 599 -13.652 -22.863 24.784 1.00 0.00 WAT1 ATOM 3305 OH2 TIP3 600 -4.304 -22.929 10.905 1.00 0.00 WAT1 ATOM 3306 H1 TIP3 600 -3.721 -22.233 10.555 1.00 0.00 WAT1 ATOM 3307 H2 TIP3 600 -4.228 -22.833 11.876 1.00 0.00 WAT1 ATOM 3308 OH2 TIP3 601 -4.200 -22.954 21.980 1.00 0.00 WAT1 ATOM 3309 H1 TIP3 601 -4.624 -22.124 22.295 1.00 0.00 WAT1 ATOM 3310 H2 TIP3 601 -4.431 -22.994 21.034 1.00 0.00 WAT1 ATOM 3311 OH2 TIP3 602 -12.273 -22.320 20.754 1.00 0.00 WAT1 ATOM 3312 H1 TIP3 602 -11.811 -22.327 21.617 1.00 0.00 WAT1 ATOM 3313 H2 TIP3 602 -12.912 -23.062 20.819 1.00 0.00 WAT1 ATOM 3314 OH2 TIP3 603 -16.053 -22.597 12.534 1.00 0.00 WAT1 ATOM 3315 H1 TIP3 603 -16.990 -22.494 12.333 1.00 0.00 WAT1 ATOM 3316 H2 TIP3 603 -15.854 -23.534 12.283 1.00 0.00 WAT1 ATOM 3317 OH2 TIP3 604 -8.452 -18.918 10.810 1.00 0.00 WAT1 ATOM 3318 H1 TIP3 604 -7.738 -19.203 10.205 1.00 0.00 WAT1 ATOM 3319 H2 TIP3 604 -9.228 -19.449 10.532 1.00 0.00 WAT1 ATOM 3320 OH2 TIP3 605 -4.793 -28.601 25.448 1.00 0.00 WAT1 ATOM 3321 H1 TIP3 605 -4.945 -29.356 26.029 1.00 0.00 WAT1 ATOM 3322 H2 TIP3 605 -5.485 -28.692 24.750 1.00 0.00 WAT1 ATOM 3323 OH2 TIP3 606 -10.293 -23.017 10.567 1.00 0.00 WAT1 ATOM 3324 H1 TIP3 606 -9.629 -23.400 9.981 1.00 0.00 WAT1 ATOM 3325 H2 TIP3 606 -9.872 -23.041 11.455 1.00 0.00 WAT1 ATOM 3326 OH2 TIP3 607 -8.889 -27.843 15.537 1.00 0.00 WAT1 ATOM 3327 H1 TIP3 607 -9.744 -28.176 15.222 1.00 0.00 WAT1 ATOM 3328 H2 TIP3 607 -8.252 -28.553 15.288 1.00 0.00 WAT1 ATOM 3329 OH2 TIP3 608 -10.593 -29.085 18.641 1.00 0.00 WAT1 ATOM 3330 H1 TIP3 608 -10.411 -28.170 18.342 1.00 0.00 WAT1 ATOM 3331 H2 TIP3 608 -11.552 -29.159 18.609 1.00 0.00 WAT1 ATOM 3332 OH2 TIP3 609 -11.980 -28.754 23.348 1.00 0.00 WAT1 ATOM 3333 H1 TIP3 609 -12.683 -29.272 23.752 1.00 0.00 WAT1 ATOM 3334 H2 TIP3 609 -12.223 -27.827 23.537 1.00 0.00 WAT1 ATOM 3335 OH2 TIP3 610 -6.430 -17.628 27.030 1.00 0.00 WAT1 ATOM 3336 H1 TIP3 610 -5.521 -17.241 27.018 1.00 0.00 WAT1 ATOM 3337 H2 TIP3 610 -6.597 -17.802 27.963 1.00 0.00 WAT1 ATOM 3338 OH2 TIP3 611 -11.183 -28.148 11.819 1.00 0.00 WAT1 ATOM 3339 H1 TIP3 611 -10.603 -28.828 12.234 1.00 0.00 WAT1 ATOM 3340 H2 TIP3 611 -11.447 -28.544 10.983 1.00 0.00 WAT1 ATOM 3341 OH2 TIP3 612 -10.473 -24.639 24.888 1.00 0.00 WAT1 ATOM 3342 H1 TIP3 612 -11.280 -25.092 24.584 1.00 0.00 WAT1 ATOM 3343 H2 TIP3 612 -9.777 -25.331 24.825 1.00 0.00 WAT1 ATOM 3344 OH2 TIP3 613 -7.339 -29.785 14.425 1.00 0.00 WAT1 ATOM 3345 H1 TIP3 613 -6.849 -30.432 14.986 1.00 0.00 WAT1 ATOM 3346 H2 TIP3 613 -6.640 -29.178 14.103 1.00 0.00 WAT1 ATOM 3347 OH2 TIP3 614 -8.962 -25.688 13.782 1.00 0.00 WAT1 ATOM 3348 H1 TIP3 614 -8.876 -26.349 14.495 1.00 0.00 WAT1 ATOM 3349 H2 TIP3 614 -9.910 -25.742 13.523 1.00 0.00 WAT1 ATOM 3350 OH2 TIP3 615 -8.055 -24.441 22.853 1.00 0.00 WAT1 ATOM 3351 H1 TIP3 615 -7.919 -23.675 23.461 1.00 0.00 WAT1 ATOM 3352 H2 TIP3 615 -8.455 -25.128 23.420 1.00 0.00 WAT1 ATOM 3353 OH2 TIP3 616 -3.822 -30.298 13.682 1.00 0.00 WAT1 ATOM 3354 H1 TIP3 616 -2.909 -30.622 13.538 1.00 0.00 WAT1 ATOM 3355 H2 TIP3 616 -4.216 -30.282 12.777 1.00 0.00 WAT1 ATOM 3356 OH2 TIP3 617 -4.474 -22.233 13.602 1.00 0.00 WAT1 ATOM 3357 H1 TIP3 617 -4.836 -22.946 14.178 1.00 0.00 WAT1 ATOM 3358 H2 TIP3 617 -4.272 -21.511 14.224 1.00 0.00 WAT1 ATOM 3359 OH2 TIP3 618 -15.262 -25.058 11.760 1.00 0.00 WAT1 ATOM 3360 H1 TIP3 618 -14.316 -25.017 11.510 1.00 0.00 WAT1 ATOM 3361 H2 TIP3 618 -15.438 -25.998 11.864 1.00 0.00 WAT1 ATOM 3362 OH2 TIP3 619 -13.118 -23.123 16.154 1.00 0.00 WAT1 ATOM 3363 H1 TIP3 619 -12.530 -23.076 15.362 1.00 0.00 WAT1 ATOM 3364 H2 TIP3 619 -13.956 -22.717 15.850 1.00 0.00 WAT1 ATOM 3365 OH2 TIP3 620 -6.779 -22.140 12.064 1.00 0.00 WAT1 ATOM 3366 H1 TIP3 620 -6.286 -22.329 11.247 1.00 0.00 WAT1 ATOM 3367 H2 TIP3 620 -6.081 -22.046 12.742 1.00 0.00 WAT1 ATOM 3368 OH2 TIP3 621 -6.612 -20.598 20.319 1.00 0.00 WAT1 ATOM 3369 H1 TIP3 621 -6.063 -20.596 21.130 1.00 0.00 WAT1 ATOM 3370 H2 TIP3 621 -7.505 -20.322 20.637 1.00 0.00 WAT1 ATOM 3371 OH2 TIP3 622 -2.439 -18.550 12.978 1.00 0.00 WAT1 ATOM 3372 H1 TIP3 622 -2.523 -17.634 12.638 1.00 0.00 WAT1 ATOM 3373 H2 TIP3 622 -2.557 -19.106 12.195 1.00 0.00 WAT1 ATOM 3374 OH2 TIP3 623 -5.790 -24.118 14.966 1.00 0.00 WAT1 ATOM 3375 H1 TIP3 623 -6.106 -24.734 15.662 1.00 0.00 WAT1 ATOM 3376 H2 TIP3 623 -5.968 -24.598 14.127 1.00 0.00 WAT1 ATOM 3377 OH2 TIP3 624 -11.668 -22.829 13.927 1.00 0.00 WAT1 ATOM 3378 H1 TIP3 624 -10.750 -22.966 13.620 1.00 0.00 WAT1 ATOM 3379 H2 TIP3 624 -12.162 -22.603 13.114 1.00 0.00 WAT1 ATOM 3380 OH2 TIP3 625 -11.632 -25.931 13.311 1.00 0.00 WAT1 ATOM 3381 H1 TIP3 625 -11.561 -26.780 12.813 1.00 0.00 WAT1 ATOM 3382 H2 TIP3 625 -12.093 -25.330 12.689 1.00 0.00 WAT1 ATOM 3383 OH2 TIP3 626 -5.271 -27.996 14.225 1.00 0.00 WAT1 ATOM 3384 H1 TIP3 626 -5.109 -27.964 15.191 1.00 0.00 WAT1 ATOM 3385 H2 TIP3 626 -4.650 -28.684 13.904 1.00 0.00 WAT1 ATOM 3386 OH2 TIP3 627 -12.623 -24.369 11.247 1.00 0.00 WAT1 ATOM 3387 H1 TIP3 627 -13.012 -23.501 11.476 1.00 0.00 WAT1 ATOM 3388 H2 TIP3 627 -11.798 -24.140 10.776 1.00 0.00 WAT1 ATOM 3389 OH2 TIP3 628 -9.172 -20.183 13.423 1.00 0.00 WAT1 ATOM 3390 H1 TIP3 628 -9.151 -21.138 13.249 1.00 0.00 WAT1 ATOM 3391 H2 TIP3 628 -8.771 -19.787 12.630 1.00 0.00 WAT1 ATOM 3392 OH2 TIP3 629 -7.589 -22.356 24.602 1.00 0.00 WAT1 ATOM 3393 H1 TIP3 629 -7.886 -21.465 24.831 1.00 0.00 WAT1 ATOM 3394 H2 TIP3 629 -6.710 -22.432 25.029 1.00 0.00 WAT1 ATOM 3395 OH2 TIP3 630 -2.329 -20.838 10.696 1.00 0.00 WAT1 ATOM 3396 H1 TIP3 630 -1.742 -21.196 11.386 1.00 0.00 WAT1 ATOM 3397 H2 TIP3 630 -1.920 -21.148 9.853 1.00 0.00 WAT1 ATOM 3398 OH2 TIP3 631 -9.087 -23.057 13.022 1.00 0.00 WAT1 ATOM 3399 H1 TIP3 631 -8.187 -22.776 12.718 1.00 0.00 WAT1 ATOM 3400 H2 TIP3 631 -8.941 -23.957 13.399 1.00 0.00 WAT1 ATOM 3401 OH2 TIP3 632 -10.146 -22.981 27.115 1.00 0.00 WAT1 ATOM 3402 H1 TIP3 632 -9.797 -23.586 27.775 1.00 0.00 WAT1 ATOM 3403 H2 TIP3 632 -10.248 -23.534 26.312 1.00 0.00 WAT1 ATOM 3404 OH2 TIP3 633 -5.082 -28.012 9.349 1.00 0.00 WAT1 ATOM 3405 H1 TIP3 633 -5.451 -27.909 8.465 1.00 0.00 WAT1 ATOM 3406 H2 TIP3 633 -5.193 -27.120 9.762 1.00 0.00 WAT1 ATOM 3407 OH2 TIP3 634 -11.595 -25.489 16.093 1.00 0.00 WAT1 ATOM 3408 H1 TIP3 634 -12.228 -24.767 16.276 1.00 0.00 WAT1 ATOM 3409 H2 TIP3 634 -11.691 -25.653 15.131 1.00 0.00 WAT1 ATOM 3410 OH2 TIP3 635 -6.627 -28.717 23.472 1.00 0.00 WAT1 ATOM 3411 H1 TIP3 635 -7.564 -28.935 23.269 1.00 0.00 WAT1 ATOM 3412 H2 TIP3 635 -6.494 -27.829 23.067 1.00 0.00 WAT1 ATOM 3413 OH2 TIP3 636 -4.445 -24.606 24.181 1.00 0.00 WAT1 ATOM 3414 H1 TIP3 636 -4.205 -24.117 23.364 1.00 0.00 WAT1 ATOM 3415 H2 TIP3 636 -4.714 -23.899 24.808 1.00 0.00 WAT1 ATOM 3416 OH2 TIP3 637 -2.304 -27.930 9.396 1.00 0.00 WAT1 ATOM 3417 H1 TIP3 637 -2.203 -27.302 10.128 1.00 0.00 WAT1 ATOM 3418 H2 TIP3 637 -3.265 -28.101 9.358 1.00 0.00 WAT1 ATOM 3419 OH2 TIP3 638 -4.992 -30.062 11.245 1.00 0.00 WAT1 ATOM 3420 H1 TIP3 638 -5.524 -30.710 10.775 1.00 0.00 WAT1 ATOM 3421 H2 TIP3 638 -4.965 -29.291 10.639 1.00 0.00 WAT1 ATOM 3422 OH2 TIP3 639 -3.539 -26.120 21.445 1.00 0.00 WAT1 ATOM 3423 H1 TIP3 639 -3.182 -26.651 22.184 1.00 0.00 WAT1 ATOM 3424 H2 TIP3 639 -4.506 -26.149 21.579 1.00 0.00 WAT1 ATOM 3425 OH2 TIP3 640 -2.899 -27.776 23.564 1.00 0.00 WAT1 ATOM 3426 H1 TIP3 640 -2.096 -27.441 23.983 1.00 0.00 WAT1 ATOM 3427 H2 TIP3 640 -3.467 -28.046 24.316 1.00 0.00 WAT1 ATOM 3428 OH2 TIP3 641 -5.385 -31.067 15.833 1.00 0.00 WAT1 ATOM 3429 H1 TIP3 641 -4.799 -30.950 16.605 1.00 0.00 WAT1 ATOM 3430 H2 TIP3 641 -4.794 -30.928 15.064 1.00 0.00 WAT1 ATOM 3431 OH2 TIP3 642 -4.824 -28.110 16.974 1.00 0.00 WAT1 ATOM 3432 H1 TIP3 642 -4.265 -28.916 16.988 1.00 0.00 WAT1 ATOM 3433 H2 TIP3 642 -5.059 -27.967 17.925 1.00 0.00 WAT1 ATOM 3434 OH2 TIP3 643 -5.543 -27.629 19.512 1.00 0.00 WAT1 ATOM 3435 H1 TIP3 643 -5.211 -28.078 20.313 1.00 0.00 WAT1 ATOM 3436 H2 TIP3 643 -6.357 -27.179 19.810 1.00 0.00 WAT1 ATOM 3437 OH2 TIP3 644 -11.462 -19.620 20.936 1.00 0.00 WAT1 ATOM 3438 H1 TIP3 644 -12.160 -19.098 20.489 1.00 0.00 WAT1 ATOM 3439 H2 TIP3 644 -11.773 -20.539 20.860 1.00 0.00 WAT1 ATOM 3440 OH2 TIP3 645 -10.931 -22.330 23.263 1.00 0.00 WAT1 ATOM 3441 H1 TIP3 645 -10.469 -23.026 23.776 1.00 0.00 WAT1 ATOM 3442 H2 TIP3 645 -10.364 -21.547 23.362 1.00 0.00 WAT1 ATOM 3443 OH2 TIP3 646 -9.234 -19.567 24.360 1.00 0.00 WAT1 ATOM 3444 H1 TIP3 646 -9.560 -19.873 25.240 1.00 0.00 WAT1 ATOM 3445 H2 TIP3 646 -8.823 -18.698 24.552 1.00 0.00 WAT1 ATOM 3446 OH2 TIP3 647 -11.682 -14.483 21.869 1.00 0.00 WAT1 ATOM 3447 H1 TIP3 647 -12.130 -15.346 22.035 1.00 0.00 WAT1 ATOM 3448 H2 TIP3 647 -11.478 -14.502 20.906 1.00 0.00 WAT1 ATOM 3449 OH2 TIP3 648 -17.055 -20.496 16.265 1.00 0.00 WAT1 ATOM 3450 H1 TIP3 648 -17.553 -19.702 16.474 1.00 0.00 WAT1 ATOM 3451 H2 TIP3 648 -17.696 -21.229 16.418 1.00 0.00 WAT1 ATOM 3452 OH2 TIP3 649 -18.948 -22.426 16.743 1.00 0.00 WAT1 ATOM 3453 H1 TIP3 649 -18.720 -23.167 17.311 1.00 0.00 WAT1 ATOM 3454 H2 TIP3 649 -19.899 -22.565 16.539 1.00 0.00 WAT1 ATOM 3455 OH2 TIP3 650 -13.594 -20.139 10.020 1.00 0.00 WAT1 ATOM 3456 H1 TIP3 650 -14.013 -20.243 9.155 1.00 0.00 WAT1 ATOM 3457 H2 TIP3 650 -13.865 -19.240 10.310 1.00 0.00 WAT1 ATOM 3458 OH2 TIP3 651 -5.263 -20.558 22.700 1.00 0.00 WAT1 ATOM 3459 H1 TIP3 651 -4.583 -19.888 22.908 1.00 0.00 WAT1 ATOM 3460 H2 TIP3 651 -5.815 -20.590 23.502 1.00 0.00 WAT1 ATOM 3461 OH2 TIP3 652 0.373 -23.256 26.630 1.00 0.00 WAT1 ATOM 3462 H1 TIP3 652 0.640 -24.080 27.109 1.00 0.00 WAT1 ATOM 3463 H2 TIP3 652 0.825 -22.551 27.108 1.00 0.00 WAT1 ATOM 3464 OH2 TIP3 653 -5.550 -19.713 25.393 1.00 0.00 WAT1 ATOM 3465 H1 TIP3 653 -5.914 -19.034 25.995 1.00 0.00 WAT1 ATOM 3466 H2 TIP3 653 -4.831 -19.249 24.915 1.00 0.00 WAT1 ATOM 3467 OH2 TIP3 654 -6.011 -26.207 22.607 1.00 0.00 WAT1 ATOM 3468 H1 TIP3 654 -6.795 -25.626 22.499 1.00 0.00 WAT1 ATOM 3469 H2 TIP3 654 -5.453 -25.732 23.265 1.00 0.00 WAT1 ATOM 3470 OH2 TIP3 655 -12.708 -12.124 8.680 1.00 0.00 WAT1 ATOM 3471 H1 TIP3 655 -11.908 -11.621 8.975 1.00 0.00 WAT1 ATOM 3472 H2 TIP3 655 -13.124 -11.542 8.033 1.00 0.00 WAT1 ATOM 3473 OH2 TIP3 656 -10.064 -13.015 11.587 1.00 0.00 WAT1 ATOM 3474 H1 TIP3 656 -9.277 -12.736 11.065 1.00 0.00 WAT1 ATOM 3475 H2 TIP3 656 -10.804 -12.894 10.977 1.00 0.00 WAT1 ATOM 3476 OH2 TIP3 657 -15.005 -15.071 6.178 1.00 0.00 WAT1 ATOM 3477 H1 TIP3 657 -15.175 -14.718 5.296 1.00 0.00 WAT1 ATOM 3478 H2 TIP3 657 -14.875 -16.020 6.035 1.00 0.00 WAT1 ATOM 3479 OH2 TIP3 658 -12.729 -14.738 7.795 1.00 0.00 WAT1 ATOM 3480 H1 TIP3 658 -13.501 -14.651 7.202 1.00 0.00 WAT1 ATOM 3481 H2 TIP3 658 -12.638 -13.849 8.200 1.00 0.00 WAT1 ATOM 3482 OH2 TIP3 659 -7.725 -16.896 8.599 1.00 0.00 WAT1 ATOM 3483 H1 TIP3 659 -7.971 -16.913 9.534 1.00 0.00 WAT1 ATOM 3484 H2 TIP3 659 -7.373 -17.796 8.430 1.00 0.00 WAT1 ATOM 3485 OH2 TIP3 660 -11.414 -17.705 11.132 1.00 0.00 WAT1 ATOM 3486 H1 TIP3 660 -11.085 -17.258 10.321 1.00 0.00 WAT1 ATOM 3487 H2 TIP3 660 -11.028 -18.599 11.083 1.00 0.00 WAT1 ATOM 3488 OH2 TIP3 661 -14.096 -17.505 10.773 1.00 0.00 WAT1 ATOM 3489 H1 TIP3 661 -13.153 -17.437 11.043 1.00 0.00 WAT1 ATOM 3490 H2 TIP3 661 -14.076 -17.367 9.801 1.00 0.00 WAT1 ATOM 3491 OH2 TIP3 662 -8.445 -17.019 12.955 1.00 0.00 WAT1 ATOM 3492 H1 TIP3 662 -8.686 -17.474 12.124 1.00 0.00 WAT1 ATOM 3493 H2 TIP3 662 -7.755 -17.600 13.349 1.00 0.00 WAT1 ATOM 3494 OH2 TIP3 663 -19.611 -7.744 19.680 1.00 0.00 WAT1 ATOM 3495 H1 TIP3 663 -19.670 -7.027 20.343 1.00 0.00 WAT1 ATOM 3496 H2 TIP3 663 -20.527 -7.918 19.438 1.00 0.00 WAT1 ATOM 3497 OH2 TIP3 664 -16.990 -4.214 16.573 1.00 0.00 WAT1 ATOM 3498 H1 TIP3 664 -17.158 -5.154 16.348 1.00 0.00 WAT1 ATOM 3499 H2 TIP3 664 -16.039 -4.176 16.720 1.00 0.00 WAT1 ATOM 3500 OH2 TIP3 665 -16.201 -15.135 18.840 1.00 0.00 WAT1 ATOM 3501 H1 TIP3 665 -17.064 -15.532 18.695 1.00 0.00 WAT1 ATOM 3502 H2 TIP3 665 -16.369 -14.429 19.505 1.00 0.00 WAT1 ATOM 3503 OH2 TIP3 666 -11.427 -9.158 15.474 1.00 0.00 WAT1 ATOM 3504 H1 TIP3 666 -11.865 -8.286 15.620 1.00 0.00 WAT1 ATOM 3505 H2 TIP3 666 -10.667 -8.947 14.923 1.00 0.00 WAT1 ATOM 3506 OH2 TIP3 667 -17.152 -8.469 18.721 1.00 0.00 WAT1 ATOM 3507 H1 TIP3 667 -16.595 -7.859 19.269 1.00 0.00 WAT1 ATOM 3508 H2 TIP3 667 -18.077 -8.251 18.991 1.00 0.00 WAT1 ATOM 3509 OH2 TIP3 668 -17.659 -11.134 19.279 1.00 0.00 WAT1 ATOM 3510 H1 TIP3 668 -17.281 -10.233 19.240 1.00 0.00 WAT1 ATOM 3511 H2 TIP3 668 -18.341 -11.131 18.602 1.00 0.00 WAT1 ATOM 3512 OH2 TIP3 669 -4.982 0.492 13.622 1.00 0.00 WAT1 ATOM 3513 H1 TIP3 669 -5.124 -0.454 13.712 1.00 0.00 WAT1 ATOM 3514 H2 TIP3 669 -4.469 0.733 14.422 1.00 0.00 WAT1 ATOM 3515 OH2 TIP3 670 -6.006 -6.872 15.675 1.00 0.00 WAT1 ATOM 3516 H1 TIP3 670 -6.621 -7.106 16.401 1.00 0.00 WAT1 ATOM 3517 H2 TIP3 670 -6.586 -6.799 14.888 1.00 0.00 WAT1 ATOM 3518 OH2 TIP3 671 -8.117 -11.801 10.166 1.00 0.00 WAT1 ATOM 3519 H1 TIP3 671 -7.550 -12.230 9.515 1.00 0.00 WAT1 ATOM 3520 H2 TIP3 671 -7.480 -11.408 10.817 1.00 0.00 WAT1 ATOM 3521 OH2 TIP3 672 -9.748 -10.786 13.253 1.00 0.00 WAT1 ATOM 3522 H1 TIP3 672 -10.600 -10.403 12.960 1.00 0.00 WAT1 ATOM 3523 H2 TIP3 672 -9.724 -11.662 12.823 1.00 0.00 WAT1 ATOM 3524 OH2 TIP3 673 -16.123 -9.263 14.703 1.00 0.00 WAT1 ATOM 3525 H1 TIP3 673 -16.769 -9.118 14.002 1.00 0.00 WAT1 ATOM 3526 H2 TIP3 673 -15.511 -9.937 14.329 1.00 0.00 WAT1 ATOM 3527 OH2 TIP3 674 -15.801 -4.067 19.655 1.00 0.00 WAT1 ATOM 3528 H1 TIP3 674 -15.271 -3.411 19.155 1.00 0.00 WAT1 ATOM 3529 H2 TIP3 674 -16.648 -3.606 19.826 1.00 0.00 WAT1 ATOM 3530 OH2 TIP3 675 -15.355 -9.891 17.232 1.00 0.00 WAT1 ATOM 3531 H1 TIP3 675 -16.009 -9.406 17.779 1.00 0.00 WAT1 ATOM 3532 H2 TIP3 675 -15.564 -9.619 16.313 1.00 0.00 WAT1 ATOM 3533 OH2 TIP3 676 -7.473 -9.550 14.078 1.00 0.00 WAT1 ATOM 3534 H1 TIP3 676 -7.614 -8.595 13.876 1.00 0.00 WAT1 ATOM 3535 H2 TIP3 676 -8.311 -9.982 13.786 1.00 0.00 WAT1 ATOM 3536 OH2 TIP3 677 -13.848 -9.301 21.619 1.00 0.00 WAT1 ATOM 3537 H1 TIP3 677 -14.267 -8.475 21.938 1.00 0.00 WAT1 ATOM 3538 H2 TIP3 677 -13.805 -9.188 20.645 1.00 0.00 WAT1 ATOM 3539 OH2 TIP3 678 -9.072 -4.441 17.311 1.00 0.00 WAT1 ATOM 3540 H1 TIP3 678 -9.645 -4.560 16.546 1.00 0.00 WAT1 ATOM 3541 H2 TIP3 678 -8.366 -3.847 16.992 1.00 0.00 WAT1 ATOM 3542 OH2 TIP3 679 -4.949 -16.907 15.475 1.00 0.00 WAT1 ATOM 3543 H1 TIP3 679 -4.085 -16.655 15.083 1.00 0.00 WAT1 ATOM 3544 H2 TIP3 679 -5.010 -16.354 16.281 1.00 0.00 WAT1 ATOM 3545 OH2 TIP3 680 -12.173 -10.215 12.091 1.00 0.00 WAT1 ATOM 3546 H1 TIP3 680 -12.695 -11.004 11.840 1.00 0.00 WAT1 ATOM 3547 H2 TIP3 680 -12.790 -9.679 12.608 1.00 0.00 WAT1 ATOM 3548 OH2 TIP3 681 -19.606 -5.444 21.289 1.00 0.00 WAT1 ATOM 3549 H1 TIP3 681 -19.124 -5.115 20.517 1.00 0.00 WAT1 ATOM 3550 H2 TIP3 681 -19.810 -4.632 21.805 1.00 0.00 WAT1 ATOM 3551 OH2 TIP3 682 -19.761 -2.945 22.518 1.00 0.00 WAT1 ATOM 3552 H1 TIP3 682 -20.495 -2.406 22.856 1.00 0.00 WAT1 ATOM 3553 H2 TIP3 682 -19.007 -2.704 23.093 1.00 0.00 WAT1 ATOM 3554 OH2 TIP3 683 -3.349 -3.869 23.123 1.00 0.00 WAT1 ATOM 3555 H1 TIP3 683 -2.876 -3.222 22.572 1.00 0.00 WAT1 ATOM 3556 H2 TIP3 683 -4.202 -3.425 23.331 1.00 0.00 WAT1 ATOM 3557 OH2 TIP3 684 -15.088 -2.000 15.613 1.00 0.00 WAT1 ATOM 3558 H1 TIP3 684 -16.011 -2.142 15.352 1.00 0.00 WAT1 ATOM 3559 H2 TIP3 684 -14.856 -1.131 15.214 1.00 0.00 WAT1 ATOM 3560 OH2 TIP3 685 -11.062 1.692 9.679 1.00 0.00 WAT1 ATOM 3561 H1 TIP3 685 -10.082 1.738 9.730 1.00 0.00 WAT1 ATOM 3562 H2 TIP3 685 -11.314 1.120 10.446 1.00 0.00 WAT1 ATOM 3563 OH2 TIP3 686 -6.611 -4.014 11.498 1.00 0.00 WAT1 ATOM 3564 H1 TIP3 686 -7.003 -4.035 12.401 1.00 0.00 WAT1 ATOM 3565 H2 TIP3 686 -6.567 -3.078 11.280 1.00 0.00 WAT1 ATOM 3566 OH2 TIP3 687 -17.312 -4.387 23.418 1.00 0.00 WAT1 ATOM 3567 H1 TIP3 687 -17.859 -5.188 23.518 1.00 0.00 WAT1 ATOM 3568 H2 TIP3 687 -17.270 -4.010 24.326 1.00 0.00 WAT1 ATOM 3569 OH2 TIP3 688 -13.865 -13.274 20.322 1.00 0.00 WAT1 ATOM 3570 H1 TIP3 688 -14.841 -13.243 20.430 1.00 0.00 WAT1 ATOM 3571 H2 TIP3 688 -13.608 -14.113 20.731 1.00 0.00 WAT1 ATOM 3572 OH2 TIP3 689 -8.864 -19.928 21.649 1.00 0.00 WAT1 ATOM 3573 H1 TIP3 689 -8.926 -19.783 22.616 1.00 0.00 WAT1 ATOM 3574 H2 TIP3 689 -9.757 -19.697 21.313 1.00 0.00 WAT1 ATOM 3575 OH2 TIP3 690 -6.307 -10.870 11.906 1.00 0.00 WAT1 ATOM 3576 H1 TIP3 690 -5.345 -10.739 11.855 1.00 0.00 WAT1 ATOM 3577 H2 TIP3 690 -6.576 -10.366 12.698 1.00 0.00 WAT1 ATOM 3578 OH2 TIP3 691 -14.669 -12.469 16.468 1.00 0.00 WAT1 ATOM 3579 H1 TIP3 691 -15.323 -12.611 15.772 1.00 0.00 WAT1 ATOM 3580 H2 TIP3 691 -14.940 -11.616 16.881 1.00 0.00 WAT1 ATOM 3581 OH2 TIP3 692 -14.566 -11.262 13.610 1.00 0.00 WAT1 ATOM 3582 H1 TIP3 692 -14.589 -11.759 12.772 1.00 0.00 WAT1 ATOM 3583 H2 TIP3 692 -13.865 -11.699 14.124 1.00 0.00 WAT1 ATOM 3584 OH2 TIP3 693 -13.372 -17.384 8.148 1.00 0.00 WAT1 ATOM 3585 H1 TIP3 693 -12.458 -17.710 8.167 1.00 0.00 WAT1 ATOM 3586 H2 TIP3 693 -13.275 -16.417 8.040 1.00 0.00 WAT1 ATOM 3587 OH2 TIP3 694 -12.500 -13.456 13.815 1.00 0.00 WAT1 ATOM 3588 H1 TIP3 694 -12.738 -13.236 12.893 1.00 0.00 WAT1 ATOM 3589 H2 TIP3 694 -11.642 -13.927 13.734 1.00 0.00 WAT1 ATOM 3590 OH2 TIP3 695 -14.986 -14.825 10.921 1.00 0.00 WAT1 ATOM 3591 H1 TIP3 695 -15.567 -14.788 10.127 1.00 0.00 WAT1 ATOM 3592 H2 TIP3 695 -14.826 -15.778 11.052 1.00 0.00 WAT1 ATOM 3593 OH2 TIP3 696 -6.869 -0.104 22.473 1.00 0.00 WAT1 ATOM 3594 H1 TIP3 696 -6.843 -0.143 21.487 1.00 0.00 WAT1 ATOM 3595 H2 TIP3 696 -6.632 0.821 22.674 1.00 0.00 WAT1 ATOM 3596 OH2 TIP3 697 -15.764 -6.713 20.214 1.00 0.00 WAT1 ATOM 3597 H1 TIP3 697 -15.533 -6.732 21.169 1.00 0.00 WAT1 ATOM 3598 H2 TIP3 697 -15.830 -5.751 20.000 1.00 0.00 WAT1 ATOM 3599 OH2 TIP3 698 -13.709 -16.136 18.387 1.00 0.00 WAT1 ATOM 3600 H1 TIP3 698 -14.571 -15.714 18.621 1.00 0.00 WAT1 ATOM 3601 H2 TIP3 698 -13.526 -15.814 17.481 1.00 0.00 WAT1 ATOM 3602 OH2 TIP3 699 -10.117 -12.148 19.646 1.00 0.00 WAT1 ATOM 3603 H1 TIP3 699 -10.753 -11.742 20.281 1.00 0.00 WAT1 ATOM 3604 H2 TIP3 699 -10.685 -12.682 19.059 1.00 0.00 WAT1 ATOM 3605 OH2 TIP3 700 -12.272 -6.568 15.696 1.00 0.00 WAT1 ATOM 3606 H1 TIP3 700 -12.203 -6.075 16.538 1.00 0.00 WAT1 ATOM 3607 H2 TIP3 700 -12.587 -5.910 15.066 1.00 0.00 WAT1 ATOM 3608 OH2 TIP3 701 -10.209 -14.942 13.502 1.00 0.00 WAT1 ATOM 3609 H1 TIP3 701 -10.016 -14.336 12.751 1.00 0.00 WAT1 ATOM 3610 H2 TIP3 701 -9.699 -15.754 13.290 1.00 0.00 WAT1 ATOM 3611 OH2 TIP3 702 -16.885 -6.981 16.230 1.00 0.00 WAT1 ATOM 3612 H1 TIP3 702 -16.502 -7.684 15.676 1.00 0.00 WAT1 ATOM 3613 H2 TIP3 702 -17.057 -7.416 17.082 1.00 0.00 WAT1 ATOM 3614 OH2 TIP3 703 -6.501 -6.673 10.996 1.00 0.00 WAT1 ATOM 3615 H1 TIP3 703 -6.454 -5.690 11.077 1.00 0.00 WAT1 ATOM 3616 H2 TIP3 703 -6.871 -6.819 10.118 1.00 0.00 WAT1 ATOM 3617 OH2 TIP3 704 -13.261 -9.368 18.910 1.00 0.00 WAT1 ATOM 3618 H1 TIP3 704 -13.976 -9.409 18.239 1.00 0.00 WAT1 ATOM 3619 H2 TIP3 704 -12.775 -10.210 18.786 1.00 0.00 WAT1 ATOM 3620 OH2 TIP3 705 -3.352 -11.084 14.567 1.00 0.00 WAT1 ATOM 3621 H1 TIP3 705 -3.989 -10.457 14.978 1.00 0.00 WAT1 ATOM 3622 H2 TIP3 705 -3.296 -10.790 13.635 1.00 0.00 WAT1 ATOM 3623 OH2 TIP3 706 -4.282 -8.005 11.965 1.00 0.00 WAT1 ATOM 3624 H1 TIP3 706 -5.102 -7.611 11.598 1.00 0.00 WAT1 ATOM 3625 H2 TIP3 706 -3.734 -7.227 12.211 1.00 0.00 WAT1 ATOM 3626 OH2 TIP3 707 -12.238 -4.728 17.848 1.00 0.00 WAT1 ATOM 3627 H1 TIP3 707 -12.558 -5.413 18.482 1.00 0.00 WAT1 ATOM 3628 H2 TIP3 707 -11.929 -3.998 18.423 1.00 0.00 WAT1 ATOM 3629 OH2 TIP3 708 -12.651 -3.392 15.436 1.00 0.00 WAT1 ATOM 3630 H1 TIP3 708 -12.539 -3.745 16.344 1.00 0.00 WAT1 ATOM 3631 H2 TIP3 708 -13.501 -2.903 15.472 1.00 0.00 WAT1 ATOM 3632 OH2 TIP3 709 -14.567 -1.916 18.310 1.00 0.00 WAT1 ATOM 3633 H1 TIP3 709 -14.919 -2.046 17.405 1.00 0.00 WAT1 ATOM 3634 H2 TIP3 709 -14.039 -1.101 18.239 1.00 0.00 WAT1 ATOM 3635 OH2 TIP3 710 -7.678 -6.907 13.493 1.00 0.00 WAT1 ATOM 3636 H1 TIP3 710 -7.272 -6.900 12.599 1.00 0.00 WAT1 ATOM 3637 H2 TIP3 710 -7.922 -5.971 13.650 1.00 0.00 WAT1 ATOM 3638 OH2 TIP3 711 -17.980 -2.590 20.436 1.00 0.00 WAT1 ATOM 3639 H1 TIP3 711 -18.689 -2.765 21.091 1.00 0.00 WAT1 ATOM 3640 H2 TIP3 711 -17.701 -1.666 20.631 1.00 0.00 WAT1 ATOM 3641 OH2 TIP3 712 -7.795 -4.145 13.956 1.00 0.00 WAT1 ATOM 3642 H1 TIP3 712 -8.750 -3.895 13.953 1.00 0.00 WAT1 ATOM 3643 H2 TIP3 712 -7.447 -3.747 14.785 1.00 0.00 WAT1 ATOM 3644 OH2 TIP3 713 -8.378 -13.930 20.740 1.00 0.00 WAT1 ATOM 3645 H1 TIP3 713 -8.600 -13.996 21.691 1.00 0.00 WAT1 ATOM 3646 H2 TIP3 713 -9.049 -13.310 20.382 1.00 0.00 WAT1 ATOM 3647 OH2 TIP3 714 -10.446 -3.578 13.865 1.00 0.00 WAT1 ATOM 3648 H1 TIP3 714 -11.180 -3.428 14.508 1.00 0.00 WAT1 ATOM 3649 H2 TIP3 714 -10.895 -3.704 13.025 1.00 0.00 WAT1 ATOM 3650 OH2 TIP3 715 -11.411 -14.733 19.140 1.00 0.00 WAT1 ATOM 3651 H1 TIP3 715 -10.657 -15.132 18.658 1.00 0.00 WAT1 ATOM 3652 H2 TIP3 715 -12.164 -15.321 18.936 1.00 0.00 WAT1 ATOM 3653 OH2 TIP3 716 -13.661 -18.500 19.757 1.00 0.00 WAT1 ATOM 3654 H1 TIP3 716 -13.642 -17.636 19.285 1.00 0.00 WAT1 ATOM 3655 H2 TIP3 716 -14.305 -19.023 19.266 1.00 0.00 WAT1 ATOM 3656 OH2 TIP3 717 -20.722 -1.121 24.784 1.00 0.00 WAT1 ATOM 3657 H1 TIP3 717 -21.521 -1.381 25.257 1.00 0.00 WAT1 ATOM 3658 H2 TIP3 717 -20.856 -0.155 24.598 1.00 0.00 WAT1 ATOM 3659 OH2 TIP3 718 -18.915 -6.639 23.707 1.00 0.00 WAT1 ATOM 3660 H1 TIP3 718 -19.673 -7.125 24.056 1.00 0.00 WAT1 ATOM 3661 H2 TIP3 718 -19.193 -6.378 22.802 1.00 0.00 WAT1 ATOM 3662 OH2 TIP3 719 -13.112 -6.689 19.488 1.00 0.00 WAT1 ATOM 3663 H1 TIP3 719 -14.063 -6.614 19.700 1.00 0.00 WAT1 ATOM 3664 H2 TIP3 719 -13.010 -7.615 19.184 1.00 0.00 WAT1 ATOM 3665 OH2 TIP3 720 -13.507 -12.610 11.314 1.00 0.00 WAT1 ATOM 3666 H1 TIP3 720 -14.073 -13.425 11.265 1.00 0.00 WAT1 ATOM 3667 H2 TIP3 720 -13.302 -12.411 10.376 1.00 0.00 WAT1 ATOM 3668 OH2 TIP3 721 -12.620 -11.968 18.211 1.00 0.00 WAT1 ATOM 3669 H1 TIP3 721 -12.912 -12.506 18.977 1.00 0.00 WAT1 ATOM 3670 H2 TIP3 721 -13.280 -12.166 17.519 1.00 0.00 WAT1 ATOM 3671 OH2 TIP3 722 -10.673 -10.754 9.737 1.00 0.00 WAT1 ATOM 3672 H1 TIP3 722 -9.715 -10.917 9.851 1.00 0.00 WAT1 ATOM 3673 H2 TIP3 722 -10.942 -10.313 10.564 1.00 0.00 WAT1 ATOM 3674 OH2 TIP3 723 -12.896 -16.915 22.088 1.00 0.00 WAT1 ATOM 3675 H1 TIP3 723 -12.254 -17.446 22.589 1.00 0.00 WAT1 ATOM 3676 H2 TIP3 723 -13.312 -17.550 21.479 1.00 0.00 WAT1 ATOM 3677 OH2 TIP3 724 -16.584 -13.177 20.675 1.00 0.00 WAT1 ATOM 3678 H1 TIP3 724 -16.979 -13.075 21.549 1.00 0.00 WAT1 ATOM 3679 H2 TIP3 724 -16.925 -12.400 20.163 1.00 0.00 WAT1 ATOM 3680 OH2 TIP3 725 -9.333 -14.048 23.268 1.00 0.00 WAT1 ATOM 3681 H1 TIP3 725 -9.533 -14.294 24.196 1.00 0.00 WAT1 ATOM 3682 H2 TIP3 725 -10.180 -14.207 22.793 1.00 0.00 WAT1 ATOM 3683 OH2 TIP3 726 -12.169 -11.375 21.240 1.00 0.00 WAT1 ATOM 3684 H1 TIP3 726 -12.784 -10.634 21.409 1.00 0.00 WAT1 ATOM 3685 H2 TIP3 726 -12.757 -12.126 21.020 1.00 0.00 WAT1 ATOM 3686 OH2 TIP3 727 -12.543 -13.000 24.116 1.00 0.00 WAT1 ATOM 3687 H1 TIP3 727 -12.247 -13.283 23.226 1.00 0.00 WAT1 ATOM 3688 H2 TIP3 727 -12.727 -13.842 24.584 1.00 0.00 WAT1 ATOM 3689 OH2 TIP3 728 -11.229 -17.560 24.384 1.00 0.00 WAT1 ATOM 3690 H1 TIP3 728 -11.014 -18.474 24.141 1.00 0.00 WAT1 ATOM 3691 H2 TIP3 728 -10.400 -17.222 24.776 1.00 0.00 WAT1 ATOM 3692 OH2 TIP3 729 -12.640 -15.460 25.423 1.00 0.00 WAT1 ATOM 3693 H1 TIP3 729 -13.396 -15.793 25.919 1.00 0.00 WAT1 ATOM 3694 H2 TIP3 729 -12.319 -16.243 24.919 1.00 0.00 WAT1 ATOM 3695 OH2 TIP3 730 -12.041 0.318 11.824 1.00 0.00 WAT1 ATOM 3696 H1 TIP3 730 -12.144 -0.342 12.517 1.00 0.00 WAT1 ATOM 3697 H2 TIP3 730 -12.758 0.971 12.006 1.00 0.00 WAT1 ATOM 3698 OH2 TIP3 731 -4.839 -3.760 20.444 1.00 0.00 WAT1 ATOM 3699 H1 TIP3 731 -4.502 -4.537 20.916 1.00 0.00 WAT1 ATOM 3700 H2 TIP3 731 -5.762 -3.653 20.786 1.00 0.00 WAT1 ATOM 3701 OH2 TIP3 732 -9.261 -5.960 26.871 1.00 0.00 WAT1 ATOM 3702 H1 TIP3 732 -10.132 -5.654 27.192 1.00 0.00 WAT1 ATOM 3703 H2 TIP3 732 -8.915 -5.201 26.356 1.00 0.00 WAT1 ATOM 3704 OH2 TIP3 733 -1.268 -8.548 16.239 1.00 0.00 WAT1 ATOM 3705 H1 TIP3 733 -1.933 -7.903 15.912 1.00 0.00 WAT1 ATOM 3706 H2 TIP3 733 -1.262 -9.241 15.569 1.00 0.00 WAT1 ATOM 3707 OH2 TIP3 734 -2.941 -14.100 17.979 1.00 0.00 WAT1 ATOM 3708 H1 TIP3 734 -3.751 -14.577 17.722 1.00 0.00 WAT1 ATOM 3709 H2 TIP3 734 -2.605 -13.728 17.138 1.00 0.00 WAT1 ATOM 3710 OH2 TIP3 735 -3.433 -10.529 11.839 1.00 0.00 WAT1 ATOM 3711 H1 TIP3 735 -3.737 -9.583 11.871 1.00 0.00 WAT1 ATOM 3712 H2 TIP3 735 -2.658 -10.504 11.264 1.00 0.00 WAT1 ATOM 3713 OH2 TIP3 736 -7.329 -15.345 14.937 1.00 0.00 WAT1 ATOM 3714 H1 TIP3 736 -6.449 -15.752 15.008 1.00 0.00 WAT1 ATOM 3715 H2 TIP3 736 -7.702 -15.728 14.121 1.00 0.00 WAT1 ATOM 3716 OH2 TIP3 737 -5.205 -6.531 21.763 1.00 0.00 WAT1 ATOM 3717 H1 TIP3 737 -5.233 -7.110 22.554 1.00 0.00 WAT1 ATOM 3718 H2 TIP3 737 -5.990 -5.970 21.853 1.00 0.00 WAT1 ATOM 3719 OH2 TIP3 738 -6.552 -9.228 22.247 1.00 0.00 WAT1 ATOM 3720 H1 TIP3 738 -6.258 -8.838 23.088 1.00 0.00 WAT1 ATOM 3721 H2 TIP3 738 -5.914 -9.952 22.088 1.00 0.00 WAT1 ATOM 3722 OH2 TIP3 739 -5.422 -15.554 7.849 1.00 0.00 WAT1 ATOM 3723 H1 TIP3 739 -5.630 -15.229 6.968 1.00 0.00 WAT1 ATOM 3724 H2 TIP3 739 -6.253 -15.981 8.150 1.00 0.00 WAT1 ATOM 3725 OH2 TIP3 740 -4.202 -14.082 25.119 1.00 0.00 WAT1 ATOM 3726 H1 TIP3 740 -3.894 -13.353 25.706 1.00 0.00 WAT1 ATOM 3727 H2 TIP3 740 -5.176 -13.966 25.091 1.00 0.00 WAT1 ATOM 3728 OH2 TIP3 741 -6.502 -18.574 14.038 1.00 0.00 WAT1 ATOM 3729 H1 TIP3 741 -5.934 -19.216 13.593 1.00 0.00 WAT1 ATOM 3730 H2 TIP3 741 -5.878 -18.033 14.574 1.00 0.00 WAT1 ATOM 3731 OH2 TIP3 742 -3.484 -18.679 23.825 1.00 0.00 WAT1 ATOM 3732 H1 TIP3 742 -3.178 -17.796 24.118 1.00 0.00 WAT1 ATOM 3733 H2 TIP3 742 -2.653 -19.156 23.596 1.00 0.00 WAT1 ATOM 3734 OH2 TIP3 743 -3.244 -16.357 9.303 1.00 0.00 WAT1 ATOM 3735 H1 TIP3 743 -2.531 -16.035 8.741 1.00 0.00 WAT1 ATOM 3736 H2 TIP3 743 -4.065 -16.047 8.850 1.00 0.00 WAT1 ATOM 3737 OH2 TIP3 744 -5.787 -0.489 17.254 1.00 0.00 WAT1 ATOM 3738 H1 TIP3 744 -5.323 -1.312 17.525 1.00 0.00 WAT1 ATOM 3739 H2 TIP3 744 -5.095 0.036 16.798 1.00 0.00 WAT1 ATOM 3740 OH2 TIP3 745 -17.221 -3.215 25.837 1.00 0.00 WAT1 ATOM 3741 H1 TIP3 745 -17.548 -3.016 26.744 1.00 0.00 WAT1 ATOM 3742 H2 TIP3 745 -17.424 -2.405 25.330 1.00 0.00 WAT1 ATOM 3743 OH2 TIP3 746 -17.422 -0.086 21.441 1.00 0.00 WAT1 ATOM 3744 H1 TIP3 746 -17.563 0.874 21.327 1.00 0.00 WAT1 ATOM 3745 H2 TIP3 746 -17.702 -0.259 22.357 1.00 0.00 WAT1 ATOM 3746 OH2 TIP3 747 -18.383 0.598 17.188 1.00 0.00 WAT1 ATOM 3747 H1 TIP3 747 -18.487 0.854 18.106 1.00 0.00 WAT1 ATOM 3748 H2 TIP3 747 -18.397 -0.389 17.211 1.00 0.00 WAT1 ATOM 3749 OH2 TIP3 748 -18.287 -2.063 17.682 1.00 0.00 WAT1 ATOM 3750 H1 TIP3 748 -17.911 -2.839 17.211 1.00 0.00 WAT1 ATOM 3751 H2 TIP3 748 -18.256 -2.317 18.621 1.00 0.00 WAT1 ATOM 3752 OH2 TIP3 749 -14.994 -21.575 14.842 1.00 0.00 WAT1 ATOM 3753 H1 TIP3 749 -15.702 -21.177 15.399 1.00 0.00 WAT1 ATOM 3754 H2 TIP3 749 -15.480 -21.990 14.099 1.00 0.00 WAT1 ATOM 3755 OH2 TIP3 750 -16.389 -14.889 8.589 1.00 0.00 WAT1 ATOM 3756 H1 TIP3 750 -17.311 -14.925 8.320 1.00 0.00 WAT1 ATOM 3757 H2 TIP3 750 -15.893 -14.887 7.748 1.00 0.00 WAT1 ATOM 3758 OH2 TIP3 751 -13.353 -14.977 15.914 1.00 0.00 WAT1 ATOM 3759 H1 TIP3 751 -13.028 -14.551 15.089 1.00 0.00 WAT1 ATOM 3760 H2 TIP3 751 -13.884 -14.276 16.342 1.00 0.00 WAT1 ATOM 3761 OH2 TIP3 752 -13.791 2.231 9.324 1.00 0.00 WAT1 ATOM 3762 H1 TIP3 752 -12.933 1.865 9.592 1.00 0.00 WAT1 ATOM 3763 H2 TIP3 752 -14.069 1.662 8.573 1.00 0.00 WAT1 ATOM 3764 OH2 TIP3 753 -2.897 -5.787 12.794 1.00 0.00 WAT1 ATOM 3765 H1 TIP3 753 -1.918 -5.817 12.644 1.00 0.00 WAT1 ATOM 3766 H2 TIP3 753 -3.133 -4.868 12.621 1.00 0.00 WAT1 ATOM 3767 OH2 TIP3 754 -8.604 -17.039 25.389 1.00 0.00 WAT1 ATOM 3768 H1 TIP3 754 -8.863 -16.128 25.635 1.00 0.00 WAT1 ATOM 3769 H2 TIP3 754 -7.832 -17.235 25.965 1.00 0.00 WAT1 ATOM 3770 OH2 TIP3 755 -5.602 -2.403 23.587 1.00 0.00 WAT1 ATOM 3771 H1 TIP3 755 -5.654 -2.325 24.565 1.00 0.00 WAT1 ATOM 3772 H2 TIP3 755 -5.931 -1.540 23.259 1.00 0.00 WAT1 ATOM 3773 OH2 TIP3 756 -12.746 -10.174 27.390 1.00 0.00 WAT1 ATOM 3774 H1 TIP3 756 -13.642 -10.030 27.024 1.00 0.00 WAT1 ATOM 3775 H2 TIP3 756 -12.672 -9.514 28.098 1.00 0.00 WAT1 ATOM 3776 OH2 TIP3 757 -12.804 -6.574 24.475 1.00 0.00 WAT1 ATOM 3777 H1 TIP3 757 -12.021 -6.060 24.160 1.00 0.00 WAT1 ATOM 3778 H2 TIP3 757 -12.408 -7.335 24.955 1.00 0.00 WAT1 ATOM 3779 OH2 TIP3 758 -3.816 -11.884 26.637 1.00 0.00 WAT1 ATOM 3780 H1 TIP3 758 -4.761 -11.626 26.712 1.00 0.00 WAT1 ATOM 3781 H2 TIP3 758 -3.432 -11.198 26.058 1.00 0.00 WAT1 ATOM 3782 OH2 TIP3 759 -11.301 -8.603 25.631 1.00 0.00 WAT1 ATOM 3783 H1 TIP3 759 -10.537 -8.480 26.229 1.00 0.00 WAT1 ATOM 3784 H2 TIP3 759 -11.924 -9.153 26.148 1.00 0.00 WAT1 ATOM 3785 OH2 TIP3 760 -8.198 -3.725 25.674 1.00 0.00 WAT1 ATOM 3786 H1 TIP3 760 -8.434 -2.865 26.069 1.00 0.00 WAT1 ATOM 3787 H2 TIP3 760 -7.233 -3.688 25.598 1.00 0.00 WAT1 ATOM 3788 OH2 TIP3 761 -8.776 1.118 29.934 1.00 0.00 WAT1 ATOM 3789 H1 TIP3 761 -8.512 1.651 30.692 1.00 0.00 WAT1 ATOM 3790 H2 TIP3 761 -8.831 1.751 29.204 1.00 0.00 WAT1 ATOM 3791 OH2 TIP3 762 -11.152 -12.164 26.370 1.00 0.00 WAT1 ATOM 3792 H1 TIP3 762 -11.698 -12.362 25.581 1.00 0.00 WAT1 ATOM 3793 H2 TIP3 762 -11.716 -11.559 26.905 1.00 0.00 WAT1 ATOM 3794 OH2 TIP3 763 -13.653 -7.446 27.957 1.00 0.00 WAT1 ATOM 3795 H1 TIP3 763 -14.172 -8.077 27.421 1.00 0.00 WAT1 ATOM 3796 H2 TIP3 763 -13.919 -6.574 27.613 1.00 0.00 WAT1 ATOM 3797 OH2 TIP3 764 -10.049 -14.651 25.834 1.00 0.00 WAT1 ATOM 3798 H1 TIP3 764 -10.137 -13.778 26.270 1.00 0.00 WAT1 ATOM 3799 H2 TIP3 764 -10.972 -14.981 25.783 1.00 0.00 WAT1 ATOM 3800 OH2 TIP3 765 -8.926 -8.602 27.144 1.00 0.00 WAT1 ATOM 3801 H1 TIP3 765 -8.109 -8.730 27.671 1.00 0.00 WAT1 ATOM 3802 H2 TIP3 765 -8.990 -7.620 27.040 1.00 0.00 WAT1 ATOM 3803 OH2 TIP3 766 -14.136 -5.163 26.471 1.00 0.00 WAT1 ATOM 3804 H1 TIP3 766 -14.433 -4.269 26.229 1.00 0.00 WAT1 ATOM 3805 H2 TIP3 766 -13.820 -5.553 25.627 1.00 0.00 WAT1 ATOM 3806 OH2 TIP3 767 -11.755 -5.225 27.838 1.00 0.00 WAT1 ATOM 3807 H1 TIP3 767 -11.927 -6.051 28.322 1.00 0.00 WAT1 ATOM 3808 H2 TIP3 767 -12.592 -5.057 27.354 1.00 0.00 WAT1 ATOM 3809 OH2 TIP3 768 -6.442 -8.904 28.288 1.00 0.00 WAT1 ATOM 3810 H1 TIP3 768 -6.223 -9.264 29.181 1.00 0.00 WAT1 ATOM 3811 H2 TIP3 768 -5.858 -8.143 28.193 1.00 0.00 WAT1 ATOM 3812 OH2 TIP3 769 -17.243 0.308 28.221 1.00 0.00 WAT1 ATOM 3813 H1 TIP3 769 -17.143 1.224 27.884 1.00 0.00 WAT1 ATOM 3814 H2 TIP3 769 -16.316 0.002 28.365 1.00 0.00 WAT1 ATOM 3815 OH2 TIP3 770 -10.877 -2.731 24.803 1.00 0.00 WAT1 ATOM 3816 H1 TIP3 770 -10.125 -2.176 24.500 1.00 0.00 WAT1 ATOM 3817 H2 TIP3 770 -10.860 -2.643 25.783 1.00 0.00 WAT1 ATOM 3818 OH2 TIP3 771 -14.801 -0.846 28.386 1.00 0.00 WAT1 ATOM 3819 H1 TIP3 771 -13.956 -0.820 28.842 1.00 0.00 WAT1 ATOM 3820 H2 TIP3 771 -14.658 -1.478 27.654 1.00 0.00 WAT1 ATOM 3821 OH2 TIP3 772 -16.505 -7.031 24.972 1.00 0.00 WAT1 ATOM 3822 H1 TIP3 772 -17.414 -7.029 24.603 1.00 0.00 WAT1 ATOM 3823 H2 TIP3 772 -16.517 -6.330 25.639 1.00 0.00 WAT1 ATOM 3824 OH2 TIP3 773 -8.181 -1.229 26.926 1.00 0.00 WAT1 ATOM 3825 H1 TIP3 773 -8.555 -1.354 27.826 1.00 0.00 WAT1 ATOM 3826 H2 TIP3 773 -8.609 -0.411 26.602 1.00 0.00 WAT1 ATOM 3827 OH2 TIP3 774 -14.863 -6.964 22.770 1.00 0.00 WAT1 ATOM 3828 H1 TIP3 774 -15.555 -7.014 23.465 1.00 0.00 WAT1 ATOM 3829 H2 TIP3 774 -14.030 -6.821 23.277 1.00 0.00 WAT1 ATOM 3830 OH2 TIP3 775 -14.922 -9.034 26.100 1.00 0.00 WAT1 ATOM 3831 H1 TIP3 775 -14.560 -9.570 25.357 1.00 0.00 WAT1 ATOM 3832 H2 TIP3 775 -15.539 -8.411 25.665 1.00 0.00 WAT1 ATOM 3833 OH2 TIP3 776 -13.662 -10.461 24.169 1.00 0.00 WAT1 ATOM 3834 H1 TIP3 776 -13.283 -11.363 24.098 1.00 0.00 WAT1 ATOM 3835 H2 TIP3 776 -13.725 -10.156 23.244 1.00 0.00 WAT1 ATOM 3836 OH2 TIP3 777 -10.658 -5.225 23.639 1.00 0.00 WAT1 ATOM 3837 H1 TIP3 777 -10.541 -4.381 24.120 1.00 0.00 WAT1 ATOM 3838 H2 TIP3 777 -9.780 -5.406 23.254 1.00 0.00 WAT1 ATOM 3839 OH2 TIP3 778 -13.498 -2.181 26.376 1.00 0.00 WAT1 ATOM 3840 H1 TIP3 778 -13.340 -1.271 26.044 1.00 0.00 WAT1 ATOM 3841 H2 TIP3 778 -12.685 -2.393 26.881 1.00 0.00 WAT1 ATOM 3842 OH2 TIP3 779 -18.223 -2.236 28.198 1.00 0.00 WAT1 ATOM 3843 H1 TIP3 779 -18.432 -2.471 29.106 1.00 0.00 WAT1 ATOM 3844 H2 TIP3 779 -17.814 -1.346 28.268 1.00 0.00 WAT1 ATOM 3845 OH2 TIP3 780 -2.737 -10.287 24.692 1.00 0.00 WAT1 ATOM 3846 H1 TIP3 780 -2.158 -9.489 24.648 1.00 0.00 WAT1 ATOM 3847 H2 TIP3 780 -2.109 -11.036 24.671 1.00 0.00 WAT1 ATOM 3848 OH2 TIP3 781 -4.842 -8.057 24.083 1.00 0.00 WAT1 ATOM 3849 H1 TIP3 781 -4.659 -8.787 24.696 1.00 0.00 WAT1 ATOM 3850 H2 TIP3 781 -4.207 -7.355 24.351 1.00 0.00 WAT1 ATOM 3851 OH2 TIP3 782 -8.937 -10.816 25.611 1.00 0.00 WAT1 ATOM 3852 H1 TIP3 782 -9.673 -11.387 25.927 1.00 0.00 WAT1 ATOM 3853 H2 TIP3 782 -8.987 -10.021 26.189 1.00 0.00 WAT1 ATOM 3854 OH2 TIP3 783 -3.866 -16.841 27.090 1.00 0.00 WAT1 ATOM 3855 H1 TIP3 783 -3.240 -16.569 27.768 1.00 0.00 WAT1 ATOM 3856 H2 TIP3 783 -3.384 -16.708 26.250 1.00 0.00 WAT1 ATOM 3857 OH2 TIP3 784 -9.288 -1.517 29.404 1.00 0.00 WAT1 ATOM 3858 H1 TIP3 784 -9.203 -2.013 30.226 1.00 0.00 WAT1 ATOM 3859 H2 TIP3 784 -9.139 -0.577 29.672 1.00 0.00 WAT1 ATOM 3860 OH2 TIP3 785 -19.838 0.340 27.262 1.00 0.00 WAT1 ATOM 3861 H1 TIP3 785 -19.894 -0.494 26.779 1.00 0.00 WAT1 ATOM 3862 H2 TIP3 785 -18.977 0.289 27.726 1.00 0.00 WAT1 ATOM 3863 OH2 TIP3 786 -6.886 19.077 -10.029 1.00 0.00 WAT1 ATOM 3864 H1 TIP3 786 -6.014 18.831 -10.394 1.00 0.00 WAT1 ATOM 3865 H2 TIP3 786 -7.277 18.226 -9.750 1.00 0.00 WAT1 ATOM 3866 OH2 TIP3 787 -6.933 15.000 -0.373 1.00 0.00 WAT1 ATOM 3867 H1 TIP3 787 -7.146 14.645 -1.273 1.00 0.00 WAT1 ATOM 3868 H2 TIP3 787 -7.793 15.242 -0.004 1.00 0.00 WAT1 ATOM 3869 OH2 TIP3 788 -22.146 12.053 -1.371 1.00 0.00 WAT1 ATOM 3870 H1 TIP3 788 -21.958 11.140 -1.606 1.00 0.00 WAT1 ATOM 3871 H2 TIP3 788 -21.481 12.570 -1.867 1.00 0.00 WAT1 ATOM 3872 OH2 TIP3 789 -7.968 10.062 2.343 1.00 0.00 WAT1 ATOM 3873 H1 TIP3 789 -7.866 9.801 1.424 1.00 0.00 WAT1 ATOM 3874 H2 TIP3 789 -7.237 10.701 2.497 1.00 0.00 WAT1 ATOM 3875 OH2 TIP3 790 -7.378 14.237 -2.928 1.00 0.00 WAT1 ATOM 3876 H1 TIP3 790 -6.622 14.126 -3.514 1.00 0.00 WAT1 ATOM 3877 H2 TIP3 790 -8.155 14.040 -3.501 1.00 0.00 WAT1 ATOM 3878 OH2 TIP3 791 -13.907 10.623 5.270 1.00 0.00 WAT1 ATOM 3879 H1 TIP3 791 -14.238 11.544 5.384 1.00 0.00 WAT1 ATOM 3880 H2 TIP3 791 -13.894 10.495 4.313 1.00 0.00 WAT1 ATOM 3881 OH2 TIP3 792 -13.414 13.361 2.405 1.00 0.00 WAT1 ATOM 3882 H1 TIP3 792 -13.736 14.146 2.892 1.00 0.00 WAT1 ATOM 3883 H2 TIP3 792 -12.758 13.714 1.798 1.00 0.00 WAT1 ATOM 3884 OH2 TIP3 793 -5.158 13.663 1.215 1.00 0.00 WAT1 ATOM 3885 H1 TIP3 793 -4.445 13.531 0.578 1.00 0.00 WAT1 ATOM 3886 H2 TIP3 793 -5.840 14.168 0.711 1.00 0.00 WAT1 ATOM 3887 OH2 TIP3 794 -6.058 17.458 -1.622 1.00 0.00 WAT1 ATOM 3888 H1 TIP3 794 -6.186 16.685 -1.041 1.00 0.00 WAT1 ATOM 3889 H2 TIP3 794 -6.705 17.331 -2.329 1.00 0.00 WAT1 ATOM 3890 OH2 TIP3 795 -9.512 8.841 6.371 1.00 0.00 WAT1 ATOM 3891 H1 TIP3 795 -9.584 7.986 5.881 1.00 0.00 WAT1 ATOM 3892 H2 TIP3 795 -9.502 9.524 5.661 1.00 0.00 WAT1 ATOM 3893 OH2 TIP3 796 -14.304 15.620 3.763 1.00 0.00 WAT1 ATOM 3894 H1 TIP3 796 -14.596 15.987 4.628 1.00 0.00 WAT1 ATOM 3895 H2 TIP3 796 -14.367 16.382 3.153 1.00 0.00 WAT1 ATOM 3896 OH2 TIP3 797 -5.679 13.344 5.323 1.00 0.00 WAT1 ATOM 3897 H1 TIP3 797 -6.327 13.710 5.961 1.00 0.00 WAT1 ATOM 3898 H2 TIP3 797 -4.938 13.960 5.362 1.00 0.00 WAT1 ATOM 3899 OH2 TIP3 798 -14.562 13.269 5.564 1.00 0.00 WAT1 ATOM 3900 H1 TIP3 798 -14.484 13.947 4.868 1.00 0.00 WAT1 ATOM 3901 H2 TIP3 798 -15.276 13.610 6.151 1.00 0.00 WAT1 ATOM 3902 OH2 TIP3 799 -9.242 13.573 -4.816 1.00 0.00 WAT1 ATOM 3903 H1 TIP3 799 -9.191 12.687 -5.233 1.00 0.00 WAT1 ATOM 3904 H2 TIP3 799 -10.180 13.833 -4.929 1.00 0.00 WAT1 ATOM 3905 OH2 TIP3 800 -5.646 16.324 -10.436 1.00 0.00 WAT1 ATOM 3906 H1 TIP3 800 -5.048 17.085 -10.604 1.00 0.00 WAT1 ATOM 3907 H2 TIP3 800 -5.246 15.596 -10.919 1.00 0.00 WAT1 ATOM 3908 OH2 TIP3 801 -16.565 15.978 0.878 1.00 0.00 WAT1 ATOM 3909 H1 TIP3 801 -16.074 16.446 1.574 1.00 0.00 WAT1 ATOM 3910 H2 TIP3 801 -16.833 15.134 1.299 1.00 0.00 WAT1 ATOM 3911 OH2 TIP3 802 0.482 19.156 3.939 1.00 0.00 WAT1 ATOM 3912 H1 TIP3 802 1.326 18.669 3.825 1.00 0.00 WAT1 ATOM 3913 H2 TIP3 802 0.715 19.886 4.542 1.00 0.00 WAT1 ATOM 3914 OH2 TIP3 803 -15.226 19.966 -8.870 1.00 0.00 WAT1 ATOM 3915 H1 TIP3 803 -15.149 20.937 -8.989 1.00 0.00 WAT1 ATOM 3916 H2 TIP3 803 -14.314 19.630 -9.035 1.00 0.00 WAT1 ATOM 3917 OH2 TIP3 804 -17.957 18.477 -2.575 1.00 0.00 WAT1 ATOM 3918 H1 TIP3 804 -17.917 18.169 -3.505 1.00 0.00 WAT1 ATOM 3919 H2 TIP3 804 -17.074 18.242 -2.205 1.00 0.00 WAT1 ATOM 3920 OH2 TIP3 805 -10.509 17.678 -8.596 1.00 0.00 WAT1 ATOM 3921 H1 TIP3 805 -9.549 17.623 -8.726 1.00 0.00 WAT1 ATOM 3922 H2 TIP3 805 -10.771 16.761 -8.357 1.00 0.00 WAT1 ATOM 3923 OH2 TIP3 806 -4.884 3.603 10.152 1.00 0.00 WAT1 ATOM 3924 H1 TIP3 806 -5.310 3.846 9.301 1.00 0.00 WAT1 ATOM 3925 H2 TIP3 806 -4.159 4.228 10.239 1.00 0.00 WAT1 ATOM 3926 OH2 TIP3 807 -19.332 13.716 3.653 1.00 0.00 WAT1 ATOM 3927 H1 TIP3 807 -18.624 13.611 2.977 1.00 0.00 WAT1 ATOM 3928 H2 TIP3 807 -18.852 13.761 4.489 1.00 0.00 WAT1 ATOM 3929 OH2 TIP3 808 -9.471 4.505 3.215 1.00 0.00 WAT1 ATOM 3930 H1 TIP3 808 -9.610 4.154 2.330 1.00 0.00 WAT1 ATOM 3931 H2 TIP3 808 -9.506 3.716 3.796 1.00 0.00 WAT1 ATOM 3932 OH2 TIP3 809 -10.928 4.619 7.005 1.00 0.00 WAT1 ATOM 3933 H1 TIP3 809 -11.602 5.203 7.427 1.00 0.00 WAT1 ATOM 3934 H2 TIP3 809 -10.127 4.771 7.522 1.00 0.00 WAT1 ATOM 3935 OH2 TIP3 810 -5.090 20.766 5.153 1.00 0.00 WAT1 ATOM 3936 H1 TIP3 810 -4.282 20.974 4.637 1.00 0.00 WAT1 ATOM 3937 H2 TIP3 810 -5.781 21.308 4.742 1.00 0.00 WAT1 ATOM 3938 OH2 TIP3 811 -18.762 14.279 8.571 1.00 0.00 WAT1 ATOM 3939 H1 TIP3 811 -18.639 14.827 9.369 1.00 0.00 WAT1 ATOM 3940 H2 TIP3 811 -19.587 14.636 8.155 1.00 0.00 WAT1 ATOM 3941 OH2 TIP3 812 -11.344 12.560 5.511 1.00 0.00 WAT1 ATOM 3942 H1 TIP3 812 -10.735 11.894 5.134 1.00 0.00 WAT1 ATOM 3943 H2 TIP3 812 -12.094 12.566 4.904 1.00 0.00 WAT1 ATOM 3944 OH2 TIP3 813 -9.376 11.583 -6.718 1.00 0.00 WAT1 ATOM 3945 H1 TIP3 813 -8.979 10.824 -7.156 1.00 0.00 WAT1 ATOM 3946 H2 TIP3 813 -9.160 12.336 -7.297 1.00 0.00 WAT1 ATOM 3947 OH2 TIP3 814 -12.059 9.927 7.301 1.00 0.00 WAT1 ATOM 3948 H1 TIP3 814 -12.610 10.054 6.503 1.00 0.00 WAT1 ATOM 3949 H2 TIP3 814 -11.249 9.508 6.968 1.00 0.00 WAT1 ATOM 3950 OH2 TIP3 815 -6.027 16.354 4.941 1.00 0.00 WAT1 ATOM 3951 H1 TIP3 815 -5.470 16.988 5.443 1.00 0.00 WAT1 ATOM 3952 H2 TIP3 815 -6.545 15.892 5.633 1.00 0.00 WAT1 ATOM 3953 OH2 TIP3 816 -4.222 18.866 -3.102 1.00 0.00 WAT1 ATOM 3954 H1 TIP3 816 -4.031 18.172 -3.762 1.00 0.00 WAT1 ATOM 3955 H2 TIP3 816 -4.764 18.409 -2.428 1.00 0.00 WAT1 ATOM 3956 OH2 TIP3 817 -11.826 13.524 -5.826 1.00 0.00 WAT1 ATOM 3957 H1 TIP3 817 -11.722 12.576 -5.976 1.00 0.00 WAT1 ATOM 3958 H2 TIP3 817 -12.779 13.694 -6.018 1.00 0.00 WAT1 ATOM 3959 OH2 TIP3 818 -18.572 16.212 -1.059 1.00 0.00 WAT1 ATOM 3960 H1 TIP3 818 -18.498 17.110 -1.443 1.00 0.00 WAT1 ATOM 3961 H2 TIP3 818 -17.853 16.178 -0.389 1.00 0.00 WAT1 ATOM 3962 OH2 TIP3 819 -9.290 10.889 4.571 1.00 0.00 WAT1 ATOM 3963 H1 TIP3 819 -8.580 11.491 4.832 1.00 0.00 WAT1 ATOM 3964 H2 TIP3 819 -8.999 10.542 3.694 1.00 0.00 WAT1 ATOM 3965 OH2 TIP3 820 -8.575 14.145 -7.552 1.00 0.00 WAT1 ATOM 3966 H1 TIP3 820 -7.595 14.067 -7.658 1.00 0.00 WAT1 ATOM 3967 H2 TIP3 820 -8.701 14.232 -6.585 1.00 0.00 WAT1 ATOM 3968 OH2 TIP3 821 -7.243 17.714 2.826 1.00 0.00 WAT1 ATOM 3969 H1 TIP3 821 -6.958 17.166 3.586 1.00 0.00 WAT1 ATOM 3970 H2 TIP3 821 -6.618 18.446 2.815 1.00 0.00 WAT1 ATOM 3971 OH2 TIP3 822 -6.568 16.768 -6.421 1.00 0.00 WAT1 ATOM 3972 H1 TIP3 822 -7.074 16.956 -7.237 1.00 0.00 WAT1 ATOM 3973 H2 TIP3 822 -6.846 17.481 -5.796 1.00 0.00 WAT1 ATOM 3974 OH2 TIP3 823 -5.907 14.306 -7.544 1.00 0.00 WAT1 ATOM 3975 H1 TIP3 823 -5.987 15.187 -7.131 1.00 0.00 WAT1 ATOM 3976 H2 TIP3 823 -4.947 14.106 -7.494 1.00 0.00 WAT1 ATOM 3977 OH2 TIP3 824 -15.321 16.652 6.080 1.00 0.00 WAT1 ATOM 3978 H1 TIP3 824 -15.831 15.940 6.518 1.00 0.00 WAT1 ATOM 3979 H2 TIP3 824 -15.846 17.455 6.240 1.00 0.00 WAT1 ATOM 3980 OH2 TIP3 825 -14.375 13.840 -6.718 1.00 0.00 WAT1 ATOM 3981 H1 TIP3 825 -15.188 13.803 -6.165 1.00 0.00 WAT1 ATOM 3982 H2 TIP3 825 -14.698 14.054 -7.597 1.00 0.00 WAT1 ATOM 3983 OH2 TIP3 826 -9.719 6.371 5.204 1.00 0.00 WAT1 ATOM 3984 H1 TIP3 826 -9.621 5.949 4.320 1.00 0.00 WAT1 ATOM 3985 H2 TIP3 826 -10.397 5.828 5.650 1.00 0.00 WAT1 ATOM 3986 OH2 TIP3 827 -16.674 13.581 -5.220 1.00 0.00 WAT1 ATOM 3987 H1 TIP3 827 -16.607 12.798 -4.668 1.00 0.00 WAT1 ATOM 3988 H2 TIP3 827 -17.257 14.181 -4.715 1.00 0.00 WAT1 ATOM 3989 OH2 TIP3 828 -20.077 13.016 -3.009 1.00 0.00 WAT1 ATOM 3990 H1 TIP3 828 -20.135 12.465 -3.798 1.00 0.00 WAT1 ATOM 3991 H2 TIP3 828 -19.597 13.820 -3.314 1.00 0.00 WAT1 ATOM 3992 OH2 TIP3 829 -8.495 21.021 -13.768 1.00 0.00 WAT1 ATOM 3993 H1 TIP3 829 -9.244 21.606 -13.987 1.00 0.00 WAT1 ATOM 3994 H2 TIP3 829 -7.903 21.091 -14.541 1.00 0.00 WAT1 ATOM 3995 OH2 TIP3 830 -7.284 14.817 7.050 1.00 0.00 WAT1 ATOM 3996 H1 TIP3 830 -7.052 14.548 7.963 1.00 0.00 WAT1 ATOM 3997 H2 TIP3 830 -8.258 14.692 7.009 1.00 0.00 WAT1 ATOM 3998 OH2 TIP3 831 -7.844 16.646 -8.900 1.00 0.00 WAT1 ATOM 3999 H1 TIP3 831 -8.252 15.800 -8.645 1.00 0.00 WAT1 ATOM 4000 H2 TIP3 831 -7.078 16.382 -9.467 1.00 0.00 WAT1 ATOM 4001 OH2 TIP3 832 -19.534 11.853 9.615 1.00 0.00 WAT1 ATOM 4002 H1 TIP3 832 -19.163 12.634 9.148 1.00 0.00 WAT1 ATOM 4003 H2 TIP3 832 -20.482 11.906 9.447 1.00 0.00 WAT1 ATOM 4004 OH2 TIP3 833 -13.500 12.151 8.109 1.00 0.00 WAT1 ATOM 4005 H1 TIP3 833 -13.613 12.608 7.255 1.00 0.00 WAT1 ATOM 4006 H2 TIP3 833 -12.832 11.452 7.920 1.00 0.00 WAT1 ATOM 4007 OH2 TIP3 834 -6.060 11.877 3.090 1.00 0.00 WAT1 ATOM 4008 H1 TIP3 834 -5.940 12.445 3.892 1.00 0.00 WAT1 ATOM 4009 H2 TIP3 834 -5.732 12.438 2.354 1.00 0.00 WAT1 ATOM 4010 OH2 TIP3 835 -15.246 8.753 6.887 1.00 0.00 WAT1 ATOM 4011 H1 TIP3 835 -14.775 9.319 6.246 1.00 0.00 WAT1 ATOM 4012 H2 TIP3 835 -15.363 9.324 7.668 1.00 0.00 WAT1 ATOM 4013 OH2 TIP3 836 -9.120 11.805 9.074 1.00 0.00 WAT1 ATOM 4014 H1 TIP3 836 -8.584 11.317 8.414 1.00 0.00 WAT1 ATOM 4015 H2 TIP3 836 -8.532 12.542 9.355 1.00 0.00 WAT1 ATOM 4016 OH2 TIP3 837 -15.089 6.053 7.167 1.00 0.00 WAT1 ATOM 4017 H1 TIP3 837 -15.826 5.894 7.774 1.00 0.00 WAT1 ATOM 4018 H2 TIP3 837 -15.177 7.003 6.927 1.00 0.00 WAT1 ATOM 4019 OH2 TIP3 838 -7.418 10.491 7.337 1.00 0.00 WAT1 ATOM 4020 H1 TIP3 838 -8.138 9.863 7.133 1.00 0.00 WAT1 ATOM 4021 H2 TIP3 838 -6.851 10.472 6.531 1.00 0.00 WAT1 ATOM 4022 OH2 TIP3 839 -14.401 7.713 9.845 1.00 0.00 WAT1 ATOM 4023 H1 TIP3 839 -15.203 7.230 9.556 1.00 0.00 WAT1 ATOM 4024 H2 TIP3 839 -14.613 8.654 9.667 1.00 0.00 WAT1 ATOM 4025 OH2 TIP3 840 -12.686 6.126 8.363 1.00 0.00 WAT1 ATOM 4026 H1 TIP3 840 -13.028 6.826 8.956 1.00 0.00 WAT1 ATOM 4027 H2 TIP3 840 -13.453 5.924 7.775 1.00 0.00 WAT1 ATOM 4028 OH2 TIP3 841 -9.462 2.385 5.004 1.00 0.00 WAT1 ATOM 4029 H1 TIP3 841 -9.126 1.502 4.816 1.00 0.00 WAT1 ATOM 4030 H2 TIP3 841 -10.209 2.229 5.627 1.00 0.00 WAT1 ATOM 4031 OH2 TIP3 842 -11.411 1.919 6.904 1.00 0.00 WAT1 ATOM 4032 H1 TIP3 842 -11.337 1.693 7.854 1.00 0.00 WAT1 ATOM 4033 H2 TIP3 842 -11.448 2.902 6.896 1.00 0.00 WAT1 ATOM 4034 OH2 TIP3 843 -13.877 0.605 7.124 1.00 0.00 WAT1 ATOM 4035 H1 TIP3 843 -13.063 1.015 6.775 1.00 0.00 WAT1 ATOM 4036 H2 TIP3 843 -14.088 -0.085 6.491 1.00 0.00 WAT1 ATOM 4037 OH2 TIP3 844 -12.815 18.776 -9.398 1.00 0.00 WAT1 ATOM 4038 H1 TIP3 844 -12.934 18.171 -10.138 1.00 0.00 WAT1 ATOM 4039 H2 TIP3 844 -11.968 18.477 -8.977 1.00 0.00 WAT1 ATOM 4040 OH2 TIP3 845 -22.236 18.608 -1.667 1.00 0.00 WAT1 ATOM 4041 H1 TIP3 845 -22.152 19.071 -2.531 1.00 0.00 WAT1 ATOM 4042 H2 TIP3 845 -22.256 17.675 -1.901 1.00 0.00 WAT1 ATOM 4043 OH2 TIP3 846 -15.702 17.516 -1.383 1.00 0.00 WAT1 ATOM 4044 H1 TIP3 846 -14.765 17.772 -1.352 1.00 0.00 WAT1 ATOM 4045 H2 TIP3 846 -15.814 16.924 -0.616 1.00 0.00 WAT1 ATOM 4046 OH2 TIP3 847 -1.862 16.993 1.767 1.00 0.00 WAT1 ATOM 4047 H1 TIP3 847 -2.699 16.506 1.935 1.00 0.00 WAT1 ATOM 4048 H2 TIP3 847 -1.486 16.559 0.967 1.00 0.00 WAT1 ATOM 4049 OH2 TIP3 848 -6.124 9.923 5.047 1.00 0.00 WAT1 ATOM 4050 H1 TIP3 848 -6.439 9.175 4.526 1.00 0.00 WAT1 ATOM 4051 H2 TIP3 848 -5.907 10.604 4.379 1.00 0.00 WAT1 ATOM 4052 OH2 TIP3 849 -1.736 15.691 -5.050 1.00 0.00 WAT1 ATOM 4053 H1 TIP3 849 -1.315 15.904 -4.199 1.00 0.00 WAT1 ATOM 4054 H2 TIP3 849 -2.633 16.086 -4.976 1.00 0.00 WAT1 ATOM 4055 OH2 TIP3 850 -4.255 15.869 2.679 1.00 0.00 WAT1 ATOM 4056 H1 TIP3 850 -4.886 16.057 3.400 1.00 0.00 WAT1 ATOM 4057 H2 TIP3 850 -4.620 15.077 2.244 1.00 0.00 WAT1 ATOM 4058 OH2 TIP3 851 -7.992 4.402 6.189 1.00 0.00 WAT1 ATOM 4059 H1 TIP3 851 -8.370 5.215 5.800 1.00 0.00 WAT1 ATOM 4060 H2 TIP3 851 -8.484 3.677 5.751 1.00 0.00 WAT1 ATOM 4061 OH2 TIP3 852 -16.374 14.375 7.289 1.00 0.00 WAT1 ATOM 4062 H1 TIP3 852 -17.308 14.205 7.546 1.00 0.00 WAT1 ATOM 4063 H2 TIP3 852 -15.944 14.642 8.128 1.00 0.00 WAT1 ATOM 4064 OH2 TIP3 853 -9.278 18.706 1.227 1.00 0.00 WAT1 ATOM 4065 H1 TIP3 853 -9.769 19.276 1.831 1.00 0.00 WAT1 ATOM 4066 H2 TIP3 853 -8.609 18.273 1.795 1.00 0.00 WAT1 ATOM 4067 OH2 TIP3 854 -18.450 15.178 -3.695 1.00 0.00 WAT1 ATOM 4068 H1 TIP3 854 -18.332 15.961 -4.279 1.00 0.00 WAT1 ATOM 4069 H2 TIP3 854 -18.399 15.548 -2.790 1.00 0.00 WAT1 ATOM 4070 OH2 TIP3 855 -11.092 15.095 -8.024 1.00 0.00 WAT1 ATOM 4071 H1 TIP3 855 -11.548 14.687 -7.265 1.00 0.00 WAT1 ATOM 4072 H2 TIP3 855 -10.225 14.649 -8.046 1.00 0.00 WAT1 ATOM 4073 OH2 TIP3 856 -23.174 19.732 -6.702 1.00 0.00 WAT1 ATOM 4074 H1 TIP3 856 -24.003 19.989 -7.122 1.00 0.00 WAT1 ATOM 4075 H2 TIP3 856 -22.485 20.021 -7.332 1.00 0.00 WAT1 ATOM 4076 OH2 TIP3 857 -4.304 18.242 5.992 1.00 0.00 WAT1 ATOM 4077 H1 TIP3 857 -4.695 19.102 5.718 1.00 0.00 WAT1 ATOM 4078 H2 TIP3 857 -3.478 18.176 5.461 1.00 0.00 WAT1 ATOM 4079 OH2 TIP3 858 -15.220 10.011 19.524 1.00 0.00 WAT1 ATOM 4080 H1 TIP3 858 -15.914 10.365 20.122 1.00 0.00 WAT1 ATOM 4081 H2 TIP3 858 -14.423 9.958 20.092 1.00 0.00 WAT1 ATOM 4082 OH2 TIP3 859 -4.028 13.283 18.323 1.00 0.00 WAT1 ATOM 4083 H1 TIP3 859 -3.613 12.415 18.180 1.00 0.00 WAT1 ATOM 4084 H2 TIP3 859 -4.481 13.190 19.183 1.00 0.00 WAT1 ATOM 4085 OH2 TIP3 860 -17.083 6.313 16.000 1.00 0.00 WAT1 ATOM 4086 H1 TIP3 860 -16.490 6.505 15.242 1.00 0.00 WAT1 ATOM 4087 H2 TIP3 860 -16.972 7.090 16.584 1.00 0.00 WAT1 ATOM 4088 OH2 TIP3 861 -16.140 8.534 17.388 1.00 0.00 WAT1 ATOM 4089 H1 TIP3 861 -15.835 9.105 18.130 1.00 0.00 WAT1 ATOM 4090 H2 TIP3 861 -15.522 8.742 16.664 1.00 0.00 WAT1 ATOM 4091 OH2 TIP3 862 -7.990 14.210 18.555 1.00 0.00 WAT1 ATOM 4092 H1 TIP3 862 -7.350 14.106 17.815 1.00 0.00 WAT1 ATOM 4093 H2 TIP3 862 -7.905 13.382 19.063 1.00 0.00 WAT1 ATOM 4094 OH2 TIP3 863 -5.338 2.661 19.344 1.00 0.00 WAT1 ATOM 4095 H1 TIP3 863 -5.884 3.411 19.667 1.00 0.00 WAT1 ATOM 4096 H2 TIP3 863 -5.053 2.941 18.449 1.00 0.00 WAT1 ATOM 4097 OH2 TIP3 864 -16.888 6.913 19.717 1.00 0.00 WAT1 ATOM 4098 H1 TIP3 864 -17.168 6.043 19.354 1.00 0.00 WAT1 ATOM 4099 H2 TIP3 864 -16.725 7.461 18.923 1.00 0.00 WAT1 ATOM 4100 OH2 TIP3 865 -6.860 4.666 20.546 1.00 0.00 WAT1 ATOM 4101 H1 TIP3 865 -7.815 4.874 20.514 1.00 0.00 WAT1 ATOM 4102 H2 TIP3 865 -6.425 5.530 20.377 1.00 0.00 WAT1 ATOM 4103 OH2 TIP3 866 -15.746 12.302 18.048 1.00 0.00 WAT1 ATOM 4104 H1 TIP3 866 -15.225 13.060 18.400 1.00 0.00 WAT1 ATOM 4105 H2 TIP3 866 -15.385 11.524 18.515 1.00 0.00 WAT1 ATOM 4106 OH2 TIP3 867 -16.051 16.178 20.448 1.00 0.00 WAT1 ATOM 4107 H1 TIP3 867 -16.921 16.386 20.867 1.00 0.00 WAT1 ATOM 4108 H2 TIP3 867 -15.563 17.037 20.479 1.00 0.00 WAT1 ATOM 4109 OH2 TIP3 868 -5.544 12.635 20.568 1.00 0.00 WAT1 ATOM 4110 H1 TIP3 868 -6.501 12.474 20.427 1.00 0.00 WAT1 ATOM 4111 H2 TIP3 868 -5.517 13.350 21.212 1.00 0.00 WAT1 ATOM 4112 OH2 TIP3 869 -6.737 0.283 19.750 1.00 0.00 WAT1 ATOM 4113 H1 TIP3 869 -6.300 1.154 19.696 1.00 0.00 WAT1 ATOM 4114 H2 TIP3 869 -6.552 -0.128 18.882 1.00 0.00 WAT1 ATOM 4115 OH2 TIP3 870 -6.088 13.755 16.601 1.00 0.00 WAT1 ATOM 4116 H1 TIP3 870 -5.266 13.775 17.145 1.00 0.00 WAT1 ATOM 4117 H2 TIP3 870 -5.806 14.095 15.725 1.00 0.00 WAT1 ATOM 4118 OH2 TIP3 871 -5.168 11.202 15.956 1.00 0.00 WAT1 ATOM 4119 H1 TIP3 871 -5.433 11.118 15.021 1.00 0.00 WAT1 ATOM 4120 H2 TIP3 871 -5.607 12.023 16.253 1.00 0.00 WAT1 ATOM 4121 OH2 TIP3 872 -8.097 7.990 21.679 1.00 0.00 WAT1 ATOM 4122 H1 TIP3 872 -8.033 8.959 21.830 1.00 0.00 WAT1 ATOM 4123 H2 TIP3 872 -7.306 7.782 21.133 1.00 0.00 WAT1 ATOM 4124 OH2 TIP3 873 -8.250 12.082 20.343 1.00 0.00 WAT1 ATOM 4125 H1 TIP3 873 -9.217 12.101 20.194 1.00 0.00 WAT1 ATOM 4126 H2 TIP3 873 -8.137 11.452 21.086 1.00 0.00 WAT1 ATOM 4127 OH2 TIP3 874 -15.436 13.389 21.416 1.00 0.00 WAT1 ATOM 4128 H1 TIP3 874 -14.481 13.527 21.266 1.00 0.00 WAT1 ATOM 4129 H2 TIP3 874 -15.836 14.249 21.195 1.00 0.00 WAT1 ATOM 4130 OH2 TIP3 875 -17.147 11.260 20.985 1.00 0.00 WAT1 ATOM 4131 H1 TIP3 875 -16.564 11.949 21.375 1.00 0.00 WAT1 ATOM 4132 H2 TIP3 875 -17.752 11.766 20.404 1.00 0.00 WAT1 ATOM 4133 OH2 TIP3 876 -8.307 1.848 9.818 1.00 0.00 WAT1 ATOM 4134 H1 TIP3 876 -7.718 1.760 10.607 1.00 0.00 WAT1 ATOM 4135 H2 TIP3 876 -7.764 1.539 9.084 1.00 0.00 WAT1 ATOM 4136 OH2 TIP3 877 -20.822 12.268 19.791 1.00 0.00 WAT1 ATOM 4137 H1 TIP3 877 -19.917 12.467 19.474 1.00 0.00 WAT1 ATOM 4138 H2 TIP3 877 -20.849 11.287 19.840 1.00 0.00 WAT1 ATOM 4139 OH2 TIP3 878 -16.809 19.259 10.962 1.00 0.00 WAT1 ATOM 4140 H1 TIP3 878 -16.388 20.150 10.995 1.00 0.00 WAT1 ATOM 4141 H2 TIP3 878 -17.739 19.426 11.203 1.00 0.00 WAT1 ATOM 4142 OH2 TIP3 879 -7.240 13.639 9.602 1.00 0.00 WAT1 ATOM 4143 H1 TIP3 879 -7.484 14.212 10.351 1.00 0.00 WAT1 ATOM 4144 H2 TIP3 879 -6.596 13.010 9.987 1.00 0.00 WAT1 ATOM 4145 OH2 TIP3 880 -7.572 14.634 12.190 1.00 0.00 WAT1 ATOM 4146 H1 TIP3 880 -7.248 15.471 11.807 1.00 0.00 WAT1 ATOM 4147 H2 TIP3 880 -6.999 14.496 12.973 1.00 0.00 WAT1 ATOM 4148 OH2 TIP3 881 -7.471 9.387 25.124 1.00 0.00 WAT1 ATOM 4149 H1 TIP3 881 -6.576 9.026 25.186 1.00 0.00 WAT1 ATOM 4150 H2 TIP3 881 -7.608 9.833 25.971 1.00 0.00 WAT1 ATOM 4151 OH2 TIP3 882 -18.585 16.860 21.223 1.00 0.00 WAT1 ATOM 4152 H1 TIP3 882 -18.935 17.770 21.150 1.00 0.00 WAT1 ATOM 4153 H2 TIP3 882 -19.371 16.306 21.238 1.00 0.00 WAT1 ATOM 4154 OH2 TIP3 883 -12.466 0.203 25.460 1.00 0.00 WAT1 ATOM 4155 H1 TIP3 883 -12.927 1.066 25.364 1.00 0.00 WAT1 ATOM 4156 H2 TIP3 883 -11.537 0.443 25.611 1.00 0.00 WAT1 ATOM 4157 OH2 TIP3 884 -8.839 8.352 8.983 1.00 0.00 WAT1 ATOM 4158 H1 TIP3 884 -9.175 8.384 8.064 1.00 0.00 WAT1 ATOM 4159 H2 TIP3 884 -8.160 7.646 8.967 1.00 0.00 WAT1 ATOM 4160 OH2 TIP3 885 -12.140 4.124 12.788 1.00 0.00 WAT1 ATOM 4161 H1 TIP3 885 -11.411 4.479 13.339 1.00 0.00 WAT1 ATOM 4162 H2 TIP3 885 -11.905 4.396 11.881 1.00 0.00 WAT1 ATOM 4163 OH2 TIP3 886 -12.213 7.349 24.619 1.00 0.00 WAT1 ATOM 4164 H1 TIP3 886 -12.339 6.436 24.286 1.00 0.00 WAT1 ATOM 4165 H2 TIP3 886 -11.271 7.545 24.422 1.00 0.00 WAT1 ATOM 4166 OH2 TIP3 887 -16.120 7.594 23.736 1.00 0.00 WAT1 ATOM 4167 H1 TIP3 887 -15.535 7.482 24.515 1.00 0.00 WAT1 ATOM 4168 H2 TIP3 887 -16.803 8.225 24.044 1.00 0.00 WAT1 ATOM 4169 OH2 TIP3 888 -15.028 4.230 10.594 1.00 0.00 WAT1 ATOM 4170 H1 TIP3 888 -14.594 3.521 10.061 1.00 0.00 WAT1 ATOM 4171 H2 TIP3 888 -15.589 4.698 9.956 1.00 0.00 WAT1 ATOM 4172 OH2 TIP3 889 -19.270 4.803 16.876 1.00 0.00 WAT1 ATOM 4173 H1 TIP3 889 -19.598 4.245 16.164 1.00 0.00 WAT1 ATOM 4174 H2 TIP3 889 -18.640 5.412 16.436 1.00 0.00 WAT1 ATOM 4175 OH2 TIP3 890 -15.842 3.947 16.801 1.00 0.00 WAT1 ATOM 4176 H1 TIP3 890 -14.876 3.963 16.709 1.00 0.00 WAT1 ATOM 4177 H2 TIP3 890 -16.135 4.807 16.434 1.00 0.00 WAT1 ATOM 4178 OH2 TIP3 891 -16.950 9.100 13.291 1.00 0.00 WAT1 ATOM 4179 H1 TIP3 891 -17.340 9.845 12.782 1.00 0.00 WAT1 ATOM 4180 H2 TIP3 891 -17.150 8.308 12.745 1.00 0.00 WAT1 ATOM 4181 OH2 TIP3 892 -13.367 0.579 17.363 1.00 0.00 WAT1 ATOM 4182 H1 TIP3 892 -13.591 0.407 16.425 1.00 0.00 WAT1 ATOM 4183 H2 TIP3 892 -13.311 1.558 17.417 1.00 0.00 WAT1 ATOM 4184 OH2 TIP3 893 -5.055 9.833 20.078 1.00 0.00 WAT1 ATOM 4185 H1 TIP3 893 -5.234 10.731 20.410 1.00 0.00 WAT1 ATOM 4186 H2 TIP3 893 -4.403 9.974 19.360 1.00 0.00 WAT1 ATOM 4187 OH2 TIP3 894 -11.391 4.502 10.155 1.00 0.00 WAT1 ATOM 4188 H1 TIP3 894 -11.595 3.577 9.917 1.00 0.00 WAT1 ATOM 4189 H2 TIP3 894 -11.949 5.036 9.549 1.00 0.00 WAT1 ATOM 4190 OH2 TIP3 895 -13.158 10.695 21.344 1.00 0.00 WAT1 ATOM 4191 H1 TIP3 895 -12.759 10.357 22.176 1.00 0.00 WAT1 ATOM 4192 H2 TIP3 895 -13.525 11.559 21.591 1.00 0.00 WAT1 ATOM 4193 OH2 TIP3 896 -19.799 9.865 23.209 1.00 0.00 WAT1 ATOM 4194 H1 TIP3 896 -19.321 9.378 22.505 1.00 0.00 WAT1 ATOM 4195 H2 TIP3 896 -20.416 10.429 22.728 1.00 0.00 WAT1 ATOM 4196 OH2 TIP3 897 -11.795 9.981 23.637 1.00 0.00 WAT1 ATOM 4197 H1 TIP3 897 -10.911 9.598 23.512 1.00 0.00 WAT1 ATOM 4198 H2 TIP3 897 -12.303 9.265 24.060 1.00 0.00 WAT1 ATOM 4199 OH2 TIP3 898 -5.176 10.063 8.865 1.00 0.00 WAT1 ATOM 4200 H1 TIP3 898 -4.581 9.897 8.124 1.00 0.00 WAT1 ATOM 4201 H2 TIP3 898 -6.037 10.275 8.437 1.00 0.00 WAT1 ATOM 4202 OH2 TIP3 899 -9.111 12.286 12.311 1.00 0.00 WAT1 ATOM 4203 H1 TIP3 899 -8.733 13.190 12.215 1.00 0.00 WAT1 ATOM 4204 H2 TIP3 899 -8.383 11.767 12.686 1.00 0.00 WAT1 ATOM 4205 OH2 TIP3 900 -3.469 10.572 17.948 1.00 0.00 WAT1 ATOM 4206 H1 TIP3 900 -4.142 10.697 17.231 1.00 0.00 WAT1 ATOM 4207 H2 TIP3 900 -2.664 10.339 17.478 1.00 0.00 WAT1 ATOM 4208 OH2 TIP3 901 -17.872 6.899 11.908 1.00 0.00 WAT1 ATOM 4209 H1 TIP3 901 -18.446 7.409 11.286 1.00 0.00 WAT1 ATOM 4210 H2 TIP3 901 -18.492 6.378 12.431 1.00 0.00 WAT1 ATOM 4211 OH2 TIP3 902 -12.684 13.546 20.897 1.00 0.00 WAT1 ATOM 4212 H1 TIP3 902 -12.023 12.955 20.477 1.00 0.00 WAT1 ATOM 4213 H2 TIP3 902 -12.149 14.108 21.498 1.00 0.00 WAT1 ATOM 4214 OH2 TIP3 903 -10.989 11.567 19.900 1.00 0.00 WAT1 ATOM 4215 H1 TIP3 903 -11.730 11.118 20.364 1.00 0.00 WAT1 ATOM 4216 H2 TIP3 903 -10.753 10.960 19.189 1.00 0.00 WAT1 ATOM 4217 OH2 TIP3 904 -5.426 11.983 10.874 1.00 0.00 WAT1 ATOM 4218 H1 TIP3 904 -5.054 11.409 10.173 1.00 0.00 WAT1 ATOM 4219 H2 TIP3 904 -4.818 12.756 10.907 1.00 0.00 WAT1 ATOM 4220 OH2 TIP3 905 -15.942 3.672 23.899 1.00 0.00 WAT1 ATOM 4221 H1 TIP3 905 -16.047 4.229 24.702 1.00 0.00 WAT1 ATOM 4222 H2 TIP3 905 -16.233 4.257 23.164 1.00 0.00 WAT1 ATOM 4223 OH2 TIP3 906 -7.926 9.482 12.693 1.00 0.00 WAT1 ATOM 4224 H1 TIP3 906 -7.265 9.013 12.129 1.00 0.00 WAT1 ATOM 4225 H2 TIP3 906 -7.967 8.936 13.520 1.00 0.00 WAT1 ATOM 4226 OH2 TIP3 907 -17.555 15.564 18.182 1.00 0.00 WAT1 ATOM 4227 H1 TIP3 907 -16.874 15.516 17.469 1.00 0.00 WAT1 ATOM 4228 H2 TIP3 907 -17.044 15.808 18.982 1.00 0.00 WAT1 ATOM 4229 OH2 TIP3 908 -13.723 13.638 10.405 1.00 0.00 WAT1 ATOM 4230 H1 TIP3 908 -13.577 13.095 9.599 1.00 0.00 WAT1 ATOM 4231 H2 TIP3 908 -13.087 13.271 11.057 1.00 0.00 WAT1 ATOM 4232 OH2 TIP3 909 -18.423 10.990 11.915 1.00 0.00 WAT1 ATOM 4233 H1 TIP3 909 -19.223 10.867 12.477 1.00 0.00 WAT1 ATOM 4234 H2 TIP3 909 -18.786 11.242 11.034 1.00 0.00 WAT1 ATOM 4235 OH2 TIP3 910 -11.892 12.502 12.158 1.00 0.00 WAT1 ATOM 4236 H1 TIP3 910 -12.196 13.011 12.942 1.00 0.00 WAT1 ATOM 4237 H2 TIP3 910 -10.918 12.535 12.218 1.00 0.00 WAT1 ATOM 4238 OH2 TIP3 911 -15.090 7.413 14.486 1.00 0.00 WAT1 ATOM 4239 H1 TIP3 911 -15.589 8.179 14.132 1.00 0.00 WAT1 ATOM 4240 H2 TIP3 911 -14.770 6.941 13.674 1.00 0.00 WAT1 ATOM 4241 OH2 TIP3 912 -8.867 2.336 23.518 1.00 0.00 WAT1 ATOM 4242 H1 TIP3 912 -9.426 2.026 22.767 1.00 0.00 WAT1 ATOM 4243 H2 TIP3 912 -7.965 2.396 23.133 1.00 0.00 WAT1 ATOM 4244 OH2 TIP3 913 -8.342 6.999 17.998 1.00 0.00 WAT1 ATOM 4245 H1 TIP3 913 -9.200 7.348 17.679 1.00 0.00 WAT1 ATOM 4246 H2 TIP3 913 -8.577 6.497 18.799 1.00 0.00 WAT1 ATOM 4247 OH2 TIP3 914 -15.496 15.477 9.620 1.00 0.00 WAT1 ATOM 4248 H1 TIP3 914 -16.275 15.416 10.220 1.00 0.00 WAT1 ATOM 4249 H2 TIP3 914 -14.831 14.864 10.027 1.00 0.00 WAT1 ATOM 4250 OH2 TIP3 915 -16.772 6.297 9.449 1.00 0.00 WAT1 ATOM 4251 H1 TIP3 915 -16.949 6.342 10.416 1.00 0.00 WAT1 ATOM 4252 H2 TIP3 915 -17.606 6.578 9.045 1.00 0.00 WAT1 ATOM 4253 OH2 TIP3 916 -17.567 4.326 18.897 1.00 0.00 WAT1 ATOM 4254 H1 TIP3 916 -16.841 4.063 18.290 1.00 0.00 WAT1 ATOM 4255 H2 TIP3 916 -18.350 4.418 18.304 1.00 0.00 WAT1 ATOM 4256 OH2 TIP3 917 -4.227 17.694 8.728 1.00 0.00 WAT1 ATOM 4257 H1 TIP3 917 -3.654 18.444 9.007 1.00 0.00 WAT1 ATOM 4258 H2 TIP3 917 -4.337 17.827 7.760 1.00 0.00 WAT1 ATOM 4259 OH2 TIP3 918 -15.275 10.282 9.255 1.00 0.00 WAT1 ATOM 4260 H1 TIP3 918 -15.815 10.731 9.919 1.00 0.00 WAT1 ATOM 4261 H2 TIP3 918 -14.686 10.987 8.908 1.00 0.00 WAT1 ATOM 4262 OH2 TIP3 919 -9.886 13.961 7.322 1.00 0.00 WAT1 ATOM 4263 H1 TIP3 919 -10.481 13.571 6.645 1.00 0.00 WAT1 ATOM 4264 H2 TIP3 919 -9.805 13.262 7.993 1.00 0.00 WAT1 ATOM 4265 OH2 TIP3 920 -8.083 10.583 22.674 1.00 0.00 WAT1 ATOM 4266 H1 TIP3 920 -8.715 11.288 22.956 1.00 0.00 WAT1 ATOM 4267 H2 TIP3 920 -7.725 10.238 23.513 1.00 0.00 WAT1 ATOM 4268 OH2 TIP3 921 -14.471 7.132 21.478 1.00 0.00 WAT1 ATOM 4269 H1 TIP3 921 -15.149 7.035 20.791 1.00 0.00 WAT1 ATOM 4270 H2 TIP3 921 -14.977 7.354 22.283 1.00 0.00 WAT1 ATOM 4271 OH2 TIP3 922 -5.828 4.427 7.745 1.00 0.00 WAT1 ATOM 4272 H1 TIP3 922 -6.676 4.354 7.240 1.00 0.00 WAT1 ATOM 4273 H2 TIP3 922 -5.147 4.288 7.078 1.00 0.00 WAT1 ATOM 4274 OH2 TIP3 923 -16.066 5.171 26.205 1.00 0.00 WAT1 ATOM 4275 H1 TIP3 923 -15.380 5.870 26.255 1.00 0.00 WAT1 ATOM 4276 H2 TIP3 923 -16.916 5.676 26.183 1.00 0.00 WAT1 ATOM 4277 OH2 TIP3 924 -11.940 5.835 21.557 1.00 0.00 WAT1 ATOM 4278 H1 TIP3 924 -12.771 6.352 21.465 1.00 0.00 WAT1 ATOM 4279 H2 TIP3 924 -12.075 5.310 22.372 1.00 0.00 WAT1 ATOM 4280 OH2 TIP3 925 -9.639 8.025 23.932 1.00 0.00 WAT1 ATOM 4281 H1 TIP3 925 -8.946 8.457 24.471 1.00 0.00 WAT1 ATOM 4282 H2 TIP3 925 -9.204 7.874 23.065 1.00 0.00 WAT1 ATOM 4283 OH2 TIP3 926 -18.280 6.681 26.046 1.00 0.00 WAT1 ATOM 4284 H1 TIP3 926 -19.226 6.517 26.001 1.00 0.00 WAT1 ATOM 4285 H2 TIP3 926 -18.179 7.607 25.741 1.00 0.00 WAT1 ATOM 4286 OH2 TIP3 927 -14.528 7.460 26.016 1.00 0.00 WAT1 ATOM 4287 H1 TIP3 927 -14.442 8.201 26.626 1.00 0.00 WAT1 ATOM 4288 H2 TIP3 927 -13.649 7.410 25.571 1.00 0.00 WAT1 ATOM 4289 OH2 TIP3 928 -9.523 4.553 24.967 1.00 0.00 WAT1 ATOM 4290 H1 TIP3 928 -9.202 3.804 24.413 1.00 0.00 WAT1 ATOM 4291 H2 TIP3 928 -9.246 5.343 24.480 1.00 0.00 WAT1 ATOM 4292 OH2 TIP3 929 -19.941 2.915 26.469 1.00 0.00 WAT1 ATOM 4293 H1 TIP3 929 -20.718 3.282 26.899 1.00 0.00 WAT1 ATOM 4294 H2 TIP3 929 -19.965 1.955 26.707 1.00 0.00 WAT1 ATOM 4295 OH2 TIP3 930 -16.996 1.225 24.635 1.00 0.00 WAT1 ATOM 4296 H1 TIP3 930 -16.610 1.976 24.142 1.00 0.00 WAT1 ATOM 4297 H2 TIP3 930 -17.134 1.582 25.538 1.00 0.00 WAT1 ATOM 4298 OH2 TIP3 931 -17.784 15.250 11.098 1.00 0.00 WAT1 ATOM 4299 H1 TIP3 931 -18.412 15.823 11.587 1.00 0.00 WAT1 ATOM 4300 H2 TIP3 931 -17.581 14.526 11.734 1.00 0.00 WAT1 ATOM 4301 OH2 TIP3 932 -6.091 8.362 10.981 1.00 0.00 WAT1 ATOM 4302 H1 TIP3 932 -6.381 7.640 10.383 1.00 0.00 WAT1 ATOM 4303 H2 TIP3 932 -5.641 8.997 10.386 1.00 0.00 WAT1 ATOM 4304 OH2 TIP3 933 -6.170 11.462 13.396 1.00 0.00 WAT1 ATOM 4305 H1 TIP3 933 -5.858 11.600 12.470 1.00 0.00 WAT1 ATOM 4306 H2 TIP3 933 -6.706 10.648 13.345 1.00 0.00 WAT1 ATOM 4307 OH2 TIP3 934 -2.574 15.781 9.815 1.00 0.00 WAT1 ATOM 4308 H1 TIP3 934 -3.186 16.412 9.380 1.00 0.00 WAT1 ATOM 4309 H2 TIP3 934 -1.702 16.163 9.676 1.00 0.00 WAT1 ATOM 4310 OH2 TIP3 935 -6.999 6.396 9.332 1.00 0.00 WAT1 ATOM 4311 H1 TIP3 935 -6.469 5.842 8.724 1.00 0.00 WAT1 ATOM 4312 H2 TIP3 935 -7.611 5.755 9.765 1.00 0.00 WAT1 ATOM 4313 OH2 TIP3 936 -7.860 8.052 15.009 1.00 0.00 WAT1 ATOM 4314 H1 TIP3 936 -7.187 7.468 14.590 1.00 0.00 WAT1 ATOM 4315 H2 TIP3 936 -7.923 7.727 15.919 1.00 0.00 WAT1 ATOM 4316 OH2 TIP3 937 -18.783 9.442 15.383 1.00 0.00 WAT1 ATOM 4317 H1 TIP3 937 -18.128 9.273 14.678 1.00 0.00 WAT1 ATOM 4318 H2 TIP3 937 -18.258 9.482 16.189 1.00 0.00 WAT1 ATOM 4319 OH2 TIP3 938 -8.699 4.525 10.296 1.00 0.00 WAT1 ATOM 4320 H1 TIP3 938 -9.674 4.648 10.376 1.00 0.00 WAT1 ATOM 4321 H2 TIP3 938 -8.599 3.580 10.055 1.00 0.00 WAT1 ATOM 4322 OH2 TIP3 939 -6.186 6.684 13.383 1.00 0.00 WAT1 ATOM 4323 H1 TIP3 939 -6.526 5.803 13.120 1.00 0.00 WAT1 ATOM 4324 H2 TIP3 939 -5.936 7.106 12.544 1.00 0.00 WAT1 ATOM 4325 OH2 TIP3 940 -9.444 5.950 20.398 1.00 0.00 WAT1 ATOM 4326 H1 TIP3 940 -9.065 6.716 20.884 1.00 0.00 WAT1 ATOM 4327 H2 TIP3 940 -10.345 5.843 20.789 1.00 0.00 WAT1 ATOM 4328 OH2 TIP3 941 -6.192 7.335 19.836 1.00 0.00 WAT1 ATOM 4329 H1 TIP3 941 -6.681 7.409 18.992 1.00 0.00 WAT1 ATOM 4330 H2 TIP3 941 -5.680 8.178 19.894 1.00 0.00 WAT1 ATOM 4331 OH2 TIP3 942 -5.788 -2.453 26.295 1.00 0.00 WAT1 ATOM 4332 H1 TIP3 942 -5.082 -2.353 26.964 1.00 0.00 WAT1 ATOM 4333 H2 TIP3 942 -6.529 -1.904 26.639 1.00 0.00 WAT1 ATOM 4334 OH2 TIP3 943 -7.433 4.276 12.713 1.00 0.00 WAT1 ATOM 4335 H1 TIP3 943 -7.900 4.501 11.881 1.00 0.00 WAT1 ATOM 4336 H2 TIP3 943 -7.038 3.398 12.533 1.00 0.00 WAT1 ATOM 4337 OH2 TIP3 944 -16.561 1.643 15.478 1.00 0.00 WAT1 ATOM 4338 H1 TIP3 944 -16.409 2.486 15.947 1.00 0.00 WAT1 ATOM 4339 H2 TIP3 944 -17.300 1.223 15.973 1.00 0.00 WAT1 ATOM 4340 OH2 TIP3 945 -18.335 8.777 21.177 1.00 0.00 WAT1 ATOM 4341 H1 TIP3 945 -17.801 9.603 21.147 1.00 0.00 WAT1 ATOM 4342 H2 TIP3 945 -17.771 8.111 20.736 1.00 0.00 WAT1 ATOM 4343 OH2 TIP3 946 -9.475 1.006 25.826 1.00 0.00 WAT1 ATOM 4344 H1 TIP3 946 -9.519 1.681 26.540 1.00 0.00 WAT1 ATOM 4345 H2 TIP3 946 -9.218 1.523 25.028 1.00 0.00 WAT1 ATOM 4346 OH2 TIP3 947 -5.469 14.079 13.909 1.00 0.00 WAT1 ATOM 4347 H1 TIP3 947 -5.636 13.119 13.808 1.00 0.00 WAT1 ATOM 4348 H2 TIP3 947 -4.894 14.302 13.150 1.00 0.00 WAT1 ATOM 4349 OH2 TIP3 948 -18.136 2.780 21.099 1.00 0.00 WAT1 ATOM 4350 H1 TIP3 948 -17.985 3.461 21.776 1.00 0.00 WAT1 ATOM 4351 H2 TIP3 948 -17.925 3.237 20.255 1.00 0.00 WAT1 ATOM 4352 OH2 TIP3 949 -14.290 14.470 18.860 1.00 0.00 WAT1 ATOM 4353 H1 TIP3 949 -14.771 15.208 19.277 1.00 0.00 WAT1 ATOM 4354 H2 TIP3 949 -13.570 14.269 19.488 1.00 0.00 WAT1 ATOM 4355 OH2 TIP3 950 -6.323 2.621 22.426 1.00 0.00 WAT1 ATOM 4356 H1 TIP3 950 -6.493 3.366 21.810 1.00 0.00 WAT1 ATOM 4357 H2 TIP3 950 -5.369 2.461 22.347 1.00 0.00 WAT1 ATOM 4358 OH2 TIP3 951 -18.908 19.415 18.334 1.00 0.00 WAT1 ATOM 4359 H1 TIP3 951 -19.176 19.293 19.270 1.00 0.00 WAT1 ATOM 4360 H2 TIP3 951 -19.272 20.297 18.095 1.00 0.00 WAT1 ATOM 4361 OH2 TIP3 952 -16.252 20.121 18.428 1.00 0.00 WAT1 ATOM 4362 H1 TIP3 952 -17.181 19.806 18.394 1.00 0.00 WAT1 ATOM 4363 H2 TIP3 952 -16.143 20.632 17.600 1.00 0.00 WAT1 ATOM 4364 OH2 TIP3 953 -10.802 14.836 22.400 1.00 0.00 WAT1 ATOM 4365 H1 TIP3 953 -10.419 15.066 21.515 1.00 0.00 WAT1 ATOM 4366 H2 TIP3 953 -10.651 15.624 22.934 1.00 0.00 WAT1 ATOM 4367 OH2 TIP3 954 -9.968 12.364 23.442 1.00 0.00 WAT1 ATOM 4368 H1 TIP3 954 -10.796 11.910 23.669 1.00 0.00 WAT1 ATOM 4369 H2 TIP3 954 -10.256 13.242 23.115 1.00 0.00 WAT1 ATOM 4370 OH2 TIP3 955 -19.689 16.998 17.350 1.00 0.00 WAT1 ATOM 4371 H1 TIP3 955 -19.404 17.910 17.588 1.00 0.00 WAT1 ATOM 4372 H2 TIP3 955 -18.937 16.430 17.645 1.00 0.00 WAT1 ATOM 4373 OH2 TIP3 956 -7.031 -2.844 16.275 1.00 0.00 WAT1 ATOM 4374 H1 TIP3 956 -7.020 -1.879 16.404 1.00 0.00 WAT1 ATOM 4375 H2 TIP3 956 -6.245 -3.156 16.776 1.00 0.00 WAT1 ATOM 4376 OH2 TIP3 957 -3.705 0.873 16.049 1.00 0.00 WAT1 ATOM 4377 H1 TIP3 957 -2.819 0.470 16.222 1.00 0.00 WAT1 ATOM 4378 H2 TIP3 957 -3.624 1.784 16.383 1.00 0.00 WAT1 ATOM 4379 OH2 TIP3 958 -14.293 0.510 14.663 1.00 0.00 WAT1 ATOM 4380 H1 TIP3 958 -15.155 0.901 14.953 1.00 0.00 WAT1 ATOM 4381 H2 TIP3 958 -14.052 1.038 13.871 1.00 0.00 WAT1 ATOM 4382 OH2 TIP3 959 -13.927 2.161 12.499 1.00 0.00 WAT1 ATOM 4383 H1 TIP3 959 -14.591 2.580 11.926 1.00 0.00 WAT1 ATOM 4384 H2 TIP3 959 -13.304 2.898 12.721 1.00 0.00 WAT1 ATOM 4385 OH2 TIP3 960 -6.343 1.907 11.715 1.00 0.00 WAT1 ATOM 4386 H1 TIP3 960 -5.810 1.407 12.376 1.00 0.00 WAT1 ATOM 4387 H2 TIP3 960 -5.674 2.431 11.213 1.00 0.00 WAT1 ATOM 4388 OH2 TIP3 961 -14.333 6.319 12.194 1.00 0.00 WAT1 ATOM 4389 H1 TIP3 961 -14.464 5.407 11.858 1.00 0.00 WAT1 ATOM 4390 H2 TIP3 961 -14.234 6.857 11.385 1.00 0.00 WAT1 ATOM 4391 OH2 TIP3 962 -9.850 4.805 14.102 1.00 0.00 WAT1 ATOM 4392 H1 TIP3 962 -8.943 4.659 13.772 1.00 0.00 WAT1 ATOM 4393 H2 TIP3 962 -9.954 4.151 14.817 1.00 0.00 WAT1 ATOM 4394 OH2 TIP3 963 -18.083 -1.178 24.116 1.00 0.00 WAT1 ATOM 4395 H1 TIP3 963 -17.668 -0.315 24.362 1.00 0.00 WAT1 ATOM 4396 H2 TIP3 963 -19.023 -1.078 24.391 1.00 0.00 WAT1 ATOM 4397 OH2 TIP3 964 -17.246 2.759 26.900 1.00 0.00 WAT1 ATOM 4398 H1 TIP3 964 -16.797 3.623 26.793 1.00 0.00 WAT1 ATOM 4399 H2 TIP3 964 -18.198 2.965 26.756 1.00 0.00 WAT1 ATOM 4400 OH2 TIP3 965 -16.219 17.956 8.587 1.00 0.00 WAT1 ATOM 4401 H1 TIP3 965 -16.561 18.496 9.329 1.00 0.00 WAT1 ATOM 4402 H2 TIP3 965 -16.211 17.045 8.939 1.00 0.00 WAT1 ATOM 4403 OH2 TIP3 966 -9.126 -0.924 23.795 1.00 0.00 WAT1 ATOM 4404 H1 TIP3 966 -8.286 -0.670 23.348 1.00 0.00 WAT1 ATOM 4405 H2 TIP3 966 -9.202 -0.289 24.533 1.00 0.00 WAT1 ATOM 4406 OH2 TIP3 967 -13.746 2.630 25.194 1.00 0.00 WAT1 ATOM 4407 H1 TIP3 967 -14.468 2.850 24.562 1.00 0.00 WAT1 ATOM 4408 H2 TIP3 967 -14.117 2.855 26.059 1.00 0.00 WAT1 ATOM 4409 OH2 TIP3 968 -11.046 -2.610 27.552 1.00 0.00 WAT1 ATOM 4410 H1 TIP3 968 -10.458 -2.241 28.244 1.00 0.00 WAT1 ATOM 4411 H2 TIP3 968 -11.143 -3.558 27.800 1.00 0.00 WAT1 ATOM 4412 OH2 TIP3 969 -12.127 4.622 24.037 1.00 0.00 WAT1 ATOM 4413 H1 TIP3 969 -11.259 4.482 24.465 1.00 0.00 WAT1 ATOM 4414 H2 TIP3 969 -12.685 3.898 24.386 1.00 0.00 WAT1 ATOM 4415 OH2 TIP3 970 -9.530 3.279 27.414 1.00 0.00 WAT1 ATOM 4416 H1 TIP3 970 -9.516 3.759 26.555 1.00 0.00 WAT1 ATOM 4417 H2 TIP3 970 -9.742 3.960 28.058 1.00 0.00 WAT1 ATOM 4418 OH2 TIP3 971 -9.123 31.200 -19.432 1.00 0.00 WAT1 ATOM 4419 H1 TIP3 971 -9.231 31.453 -18.495 1.00 0.00 WAT1 ATOM 4420 H2 TIP3 971 -8.859 30.252 -19.392 1.00 0.00 WAT1 ATOM 4421 OH2 TIP3 972 -15.337 27.399 -13.832 1.00 0.00 WAT1 ATOM 4422 H1 TIP3 972 -14.401 27.403 -14.098 1.00 0.00 WAT1 ATOM 4423 H2 TIP3 972 -15.817 27.165 -14.654 1.00 0.00 WAT1 ATOM 4424 OH2 TIP3 973 -21.156 28.683 -18.418 1.00 0.00 WAT1 ATOM 4425 H1 TIP3 973 -21.657 28.374 -19.204 1.00 0.00 WAT1 ATOM 4426 H2 TIP3 973 -21.673 29.437 -18.090 1.00 0.00 WAT1 ATOM 4427 OH2 TIP3 974 -14.292 29.574 -19.095 1.00 0.00 WAT1 ATOM 4428 H1 TIP3 974 -13.611 30.224 -19.356 1.00 0.00 WAT1 ATOM 4429 H2 TIP3 974 -14.636 29.233 -19.955 1.00 0.00 WAT1 ATOM 4430 OH2 TIP3 975 -23.034 27.953 -20.346 1.00 0.00 WAT1 ATOM 4431 H1 TIP3 975 -23.415 27.058 -20.226 1.00 0.00 WAT1 ATOM 4432 H2 TIP3 975 -23.643 28.541 -19.854 1.00 0.00 WAT1 ATOM 4433 OH2 TIP3 976 -11.819 30.677 -19.970 1.00 0.00 WAT1 ATOM 4434 H1 TIP3 976 -10.958 31.115 -20.115 1.00 0.00 WAT1 ATOM 4435 H2 TIP3 976 -11.647 29.737 -20.210 1.00 0.00 WAT1 ATOM 4436 OH2 TIP3 977 -21.662 25.932 -18.048 1.00 0.00 WAT1 ATOM 4437 H1 TIP3 977 -21.327 26.850 -18.061 1.00 0.00 WAT1 ATOM 4438 H2 TIP3 977 -21.132 25.497 -17.375 1.00 0.00 WAT1 ATOM 4439 OH2 TIP3 978 -6.911 32.816 -19.542 1.00 0.00 WAT1 ATOM 4440 H1 TIP3 978 -6.522 32.960 -20.411 1.00 0.00 WAT1 ATOM 4441 H2 TIP3 978 -7.686 32.240 -19.717 1.00 0.00 WAT1 ATOM 4442 OH2 TIP3 979 -4.329 30.265 -12.715 1.00 0.00 WAT1 ATOM 4443 H1 TIP3 979 -4.491 29.390 -13.130 1.00 0.00 WAT1 ATOM 4444 H2 TIP3 979 -4.071 30.841 -13.464 1.00 0.00 WAT1 ATOM 4445 OH2 TIP3 980 -0.853 26.570 -15.944 1.00 0.00 WAT1 ATOM 4446 H1 TIP3 980 -0.450 26.354 -15.092 1.00 0.00 WAT1 ATOM 4447 H2 TIP3 980 -0.153 26.419 -16.585 1.00 0.00 WAT1 ATOM 4448 OH2 TIP3 981 -7.730 27.538 -13.618 1.00 0.00 WAT1 ATOM 4449 H1 TIP3 981 -7.784 27.257 -12.677 1.00 0.00 WAT1 ATOM 4450 H2 TIP3 981 -6.770 27.698 -13.762 1.00 0.00 WAT1 ATOM 4451 OH2 TIP3 982 -14.943 28.647 -21.542 1.00 0.00 WAT1 ATOM 4452 H1 TIP3 982 -15.635 28.083 -21.901 1.00 0.00 WAT1 ATOM 4453 H2 TIP3 982 -14.300 28.721 -22.257 1.00 0.00 WAT1 ATOM 4454 OH2 TIP3 983 -14.906 36.473 -15.178 1.00 0.00 WAT1 ATOM 4455 H1 TIP3 983 -15.492 35.688 -15.254 1.00 0.00 WAT1 ATOM 4456 H2 TIP3 983 -14.222 36.326 -15.855 1.00 0.00 WAT1 ATOM 4457 OH2 TIP3 984 -16.478 28.782 -17.533 1.00 0.00 WAT1 ATOM 4458 H1 TIP3 984 -15.715 29.058 -18.085 1.00 0.00 WAT1 ATOM 4459 H2 TIP3 984 -17.256 29.199 -17.972 1.00 0.00 WAT1 ATOM 4460 OH2 TIP3 985 -10.803 28.198 -20.329 1.00 0.00 WAT1 ATOM 4461 H1 TIP3 985 -11.053 27.293 -20.057 1.00 0.00 WAT1 ATOM 4462 H2 TIP3 985 -9.953 28.356 -19.872 1.00 0.00 WAT1 ATOM 4463 OH2 TIP3 986 -22.093 31.680 -17.815 1.00 0.00 WAT1 ATOM 4464 H1 TIP3 986 -21.366 31.783 -18.462 1.00 0.00 WAT1 ATOM 4465 H2 TIP3 986 -21.956 32.412 -17.186 1.00 0.00 WAT1 ATOM 4466 OH2 TIP3 987 -4.299 30.540 -16.484 1.00 0.00 WAT1 ATOM 4467 H1 TIP3 987 -3.822 31.148 -15.886 1.00 0.00 WAT1 ATOM 4468 H2 TIP3 987 -3.839 29.685 -16.369 1.00 0.00 WAT1 ATOM 4469 OH2 TIP3 988 -7.032 23.993 -12.068 1.00 0.00 WAT1 ATOM 4470 H1 TIP3 988 -7.240 23.158 -11.586 1.00 0.00 WAT1 ATOM 4471 H2 TIP3 988 -7.171 23.768 -12.996 1.00 0.00 WAT1 ATOM 4472 OH2 TIP3 989 -7.715 21.439 -11.216 1.00 0.00 WAT1 ATOM 4473 H1 TIP3 989 -7.380 20.609 -10.814 1.00 0.00 WAT1 ATOM 4474 H2 TIP3 989 -8.009 21.168 -12.117 1.00 0.00 WAT1 ATOM 4475 OH2 TIP3 990 -12.624 27.883 -17.672 1.00 0.00 WAT1 ATOM 4476 H1 TIP3 990 -13.234 28.423 -18.220 1.00 0.00 WAT1 ATOM 4477 H2 TIP3 990 -12.248 27.229 -18.302 1.00 0.00 WAT1 ATOM 4478 OH2 TIP3 991 -12.231 27.291 -13.698 1.00 0.00 WAT1 ATOM 4479 H1 TIP3 991 -12.647 26.938 -12.886 1.00 0.00 WAT1 ATOM 4480 H2 TIP3 991 -11.427 26.741 -13.806 1.00 0.00 WAT1 ATOM 4481 OH2 TIP3 992 -18.482 25.034 -14.617 1.00 0.00 WAT1 ATOM 4482 H1 TIP3 992 -17.734 25.343 -15.172 1.00 0.00 WAT1 ATOM 4483 H2 TIP3 992 -19.158 25.703 -14.741 1.00 0.00 WAT1 ATOM 4484 OH2 TIP3 993 -8.711 28.061 -16.171 1.00 0.00 WAT1 ATOM 4485 H1 TIP3 993 -8.267 27.918 -15.308 1.00 0.00 WAT1 ATOM 4486 H2 TIP3 993 -9.553 28.509 -15.935 1.00 0.00 WAT1 ATOM 4487 OH2 TIP3 994 -6.634 35.941 -12.190 1.00 0.00 WAT1 ATOM 4488 H1 TIP3 994 -6.707 35.968 -13.169 1.00 0.00 WAT1 ATOM 4489 H2 TIP3 994 -7.159 36.713 -11.891 1.00 0.00 WAT1 ATOM 4490 OH2 TIP3 995 -11.353 25.838 -19.063 1.00 0.00 WAT1 ATOM 4491 H1 TIP3 995 -11.459 24.960 -19.447 1.00 0.00 WAT1 ATOM 4492 H2 TIP3 995 -10.482 25.793 -18.596 1.00 0.00 WAT1 ATOM 4493 OH2 TIP3 996 -8.956 25.800 -17.807 1.00 0.00 WAT1 ATOM 4494 H1 TIP3 996 -8.802 26.523 -17.168 1.00 0.00 WAT1 ATOM 4495 H2 TIP3 996 -8.771 24.980 -17.289 1.00 0.00 WAT1 ATOM 4496 OH2 TIP3 997 -4.985 27.733 -13.804 1.00 0.00 WAT1 ATOM 4497 H1 TIP3 997 -4.683 26.870 -13.483 1.00 0.00 WAT1 ATOM 4498 H2 TIP3 997 -4.425 27.904 -14.592 1.00 0.00 WAT1 ATOM 4499 OH2 TIP3 998 -18.743 30.029 -18.388 1.00 0.00 WAT1 ATOM 4500 H1 TIP3 998 -19.084 30.734 -18.981 1.00 0.00 WAT1 ATOM 4501 H2 TIP3 998 -19.484 29.386 -18.336 1.00 0.00 WAT1 ATOM 4502 OH2 TIP3 999 -3.153 32.088 -14.523 1.00 0.00 WAT1 ATOM 4503 H1 TIP3 999 -2.344 31.642 -14.167 1.00 0.00 WAT1 ATOM 4504 H2 TIP3 999 -2.897 33.013 -14.595 1.00 0.00 WAT1 ATOM 4505 OH2 TIP3 1000 -1.085 30.815 -13.361 1.00 0.00 WAT1 ATOM 4506 H1 TIP3 1000 -1.262 29.854 -13.263 1.00 0.00 WAT1 ATOM 4507 H2 TIP3 1000 -0.327 30.979 -12.778 1.00 0.00 WAT1 ATOM 4508 OH2 TIP3 1001 -8.498 28.592 -18.833 1.00 0.00 WAT1 ATOM 4509 H1 TIP3 1001 -8.537 28.523 -17.851 1.00 0.00 WAT1 ATOM 4510 H2 TIP3 1001 -7.999 27.808 -19.101 1.00 0.00 WAT1 ATOM 4511 OH2 TIP3 1002 -20.424 38.933 -19.455 1.00 0.00 WAT1 ATOM 4512 H1 TIP3 1002 -20.630 39.659 -20.076 1.00 0.00 WAT1 ATOM 4513 H2 TIP3 1002 -20.997 38.202 -19.747 1.00 0.00 WAT1 ATOM 4514 OH2 TIP3 1003 -14.135 33.633 -17.166 1.00 0.00 WAT1 ATOM 4515 H1 TIP3 1003 -13.585 34.439 -17.095 1.00 0.00 WAT1 ATOM 4516 H2 TIP3 1003 -13.487 32.917 -17.312 1.00 0.00 WAT1 ATOM 4517 OH2 TIP3 1004 -10.961 33.486 -12.591 1.00 0.00 WAT1 ATOM 4518 H1 TIP3 1004 -11.468 34.177 -13.062 1.00 0.00 WAT1 ATOM 4519 H2 TIP3 1004 -10.409 33.078 -13.282 1.00 0.00 WAT1 ATOM 4520 OH2 TIP3 1005 -12.026 31.751 -17.472 1.00 0.00 WAT1 ATOM 4521 H1 TIP3 1005 -12.001 31.401 -18.391 1.00 0.00 WAT1 ATOM 4522 H2 TIP3 1005 -11.088 31.892 -17.247 1.00 0.00 WAT1 ATOM 4523 OH2 TIP3 1006 -9.260 32.071 -16.773 1.00 0.00 WAT1 ATOM 4524 H1 TIP3 1006 -8.274 32.023 -16.844 1.00 0.00 WAT1 ATOM 4525 H2 TIP3 1006 -9.436 31.875 -15.824 1.00 0.00 WAT1 ATOM 4526 OH2 TIP3 1007 -16.589 26.415 -16.088 1.00 0.00 WAT1 ATOM 4527 H1 TIP3 1007 -15.675 26.081 -16.245 1.00 0.00 WAT1 ATOM 4528 H2 TIP3 1007 -16.660 27.199 -16.675 1.00 0.00 WAT1 ATOM 4529 OH2 TIP3 1008 -16.387 34.186 -15.750 1.00 0.00 WAT1 ATOM 4530 H1 TIP3 1008 -17.036 33.487 -15.964 1.00 0.00 WAT1 ATOM 4531 H2 TIP3 1008 -15.600 33.951 -16.293 1.00 0.00 WAT1 ATOM 4532 OH2 TIP3 1009 -8.671 23.662 -16.209 1.00 0.00 WAT1 ATOM 4533 H1 TIP3 1009 -7.977 22.973 -16.154 1.00 0.00 WAT1 ATOM 4534 H2 TIP3 1009 -9.335 23.386 -15.549 1.00 0.00 WAT1 ATOM 4535 OH2 TIP3 1010 -6.814 21.661 -15.897 1.00 0.00 WAT1 ATOM 4536 H1 TIP3 1010 -5.954 21.988 -15.532 1.00 0.00 WAT1 ATOM 4537 H2 TIP3 1010 -6.554 21.084 -16.624 1.00 0.00 WAT1 ATOM 4538 OH2 TIP3 1011 -11.193 29.029 -15.641 1.00 0.00 WAT1 ATOM 4539 H1 TIP3 1011 -11.611 28.553 -14.890 1.00 0.00 WAT1 ATOM 4540 H2 TIP3 1011 -11.662 28.681 -16.432 1.00 0.00 WAT1 ATOM 4541 OH2 TIP3 1012 -16.544 28.630 -11.640 1.00 0.00 WAT1 ATOM 4542 H1 TIP3 1012 -15.931 28.179 -11.013 1.00 0.00 WAT1 ATOM 4543 H2 TIP3 1012 -16.185 28.406 -12.522 1.00 0.00 WAT1 ATOM 4544 OH2 TIP3 1013 -9.480 30.132 -11.828 1.00 0.00 WAT1 ATOM 4545 H1 TIP3 1013 -9.376 29.175 -11.722 1.00 0.00 WAT1 ATOM 4546 H2 TIP3 1013 -10.218 30.366 -11.217 1.00 0.00 WAT1 ATOM 4547 OH2 TIP3 1014 -13.794 23.131 -11.042 1.00 0.00 WAT1 ATOM 4548 H1 TIP3 1014 -14.514 22.574 -11.421 1.00 0.00 WAT1 ATOM 4549 H2 TIP3 1014 -13.155 22.477 -10.667 1.00 0.00 WAT1 ATOM 4550 OH2 TIP3 1015 -13.907 25.986 -16.181 1.00 0.00 WAT1 ATOM 4551 H1 TIP3 1015 -13.192 25.385 -15.949 1.00 0.00 WAT1 ATOM 4552 H2 TIP3 1015 -13.459 26.720 -16.654 1.00 0.00 WAT1 ATOM 4553 OH2 TIP3 1016 -9.991 25.723 -13.446 1.00 0.00 WAT1 ATOM 4554 H1 TIP3 1016 -9.195 26.254 -13.651 1.00 0.00 WAT1 ATOM 4555 H2 TIP3 1016 -9.963 25.616 -12.472 1.00 0.00 WAT1 ATOM 4556 OH2 TIP3 1017 -12.990 25.755 -11.409 1.00 0.00 WAT1 ATOM 4557 H1 TIP3 1017 -13.353 24.839 -11.362 1.00 0.00 WAT1 ATOM 4558 H2 TIP3 1017 -13.653 26.299 -10.918 1.00 0.00 WAT1 ATOM 4559 OH2 TIP3 1018 -10.414 23.070 -14.108 1.00 0.00 WAT1 ATOM 4560 H1 TIP3 1018 -10.286 24.025 -13.912 1.00 0.00 WAT1 ATOM 4561 H2 TIP3 1018 -11.177 22.819 -13.571 1.00 0.00 WAT1 ATOM 4562 OH2 TIP3 1019 -10.398 25.240 -10.679 1.00 0.00 WAT1 ATOM 4563 H1 TIP3 1019 -11.345 25.478 -10.818 1.00 0.00 WAT1 ATOM 4564 H2 TIP3 1019 -10.434 24.440 -10.133 1.00 0.00 WAT1 ATOM 4565 OH2 TIP3 1020 -16.407 25.700 -11.942 1.00 0.00 WAT1 ATOM 4566 H1 TIP3 1020 -16.045 26.125 -12.750 1.00 0.00 WAT1 ATOM 4567 H2 TIP3 1020 -15.862 26.084 -11.209 1.00 0.00 WAT1 ATOM 4568 OH2 TIP3 1021 -12.121 21.420 -9.741 1.00 0.00 WAT1 ATOM 4569 H1 TIP3 1021 -12.272 20.471 -9.569 1.00 0.00 WAT1 ATOM 4570 H2 TIP3 1021 -11.196 21.574 -9.437 1.00 0.00 WAT1 ATOM 4571 OH2 TIP3 1022 -20.444 35.113 -20.413 1.00 0.00 WAT1 ATOM 4572 H1 TIP3 1022 -20.762 34.413 -21.019 1.00 0.00 WAT1 ATOM 4573 H2 TIP3 1022 -20.995 35.893 -20.637 1.00 0.00 WAT1 ATOM 4574 OH2 TIP3 1023 -21.215 32.848 -21.841 1.00 0.00 WAT1 ATOM 4575 H1 TIP3 1023 -21.040 32.739 -22.782 1.00 0.00 WAT1 ATOM 4576 H2 TIP3 1023 -21.819 32.095 -21.619 1.00 0.00 WAT1 ATOM 4577 OH2 TIP3 1024 -6.625 32.172 -14.118 1.00 0.00 WAT1 ATOM 4578 H1 TIP3 1024 -6.484 32.058 -15.081 1.00 0.00 WAT1 ATOM 4579 H2 TIP3 1024 -6.009 32.874 -13.871 1.00 0.00 WAT1 ATOM 4580 OH2 TIP3 1025 -6.547 31.976 -16.949 1.00 0.00 WAT1 ATOM 4581 H1 TIP3 1025 -5.767 31.367 -16.907 1.00 0.00 WAT1 ATOM 4582 H2 TIP3 1025 -6.493 32.372 -17.849 1.00 0.00 WAT1 ATOM 4583 OH2 TIP3 1026 -18.153 32.356 -16.822 1.00 0.00 WAT1 ATOM 4584 H1 TIP3 1026 -18.378 31.605 -17.407 1.00 0.00 WAT1 ATOM 4585 H2 TIP3 1026 -18.565 33.131 -17.257 1.00 0.00 WAT1 ATOM 4586 OH2 TIP3 1027 -4.288 24.003 -12.675 1.00 0.00 WAT1 ATOM 4587 H1 TIP3 1027 -5.162 24.083 -12.254 1.00 0.00 WAT1 ATOM 4588 H2 TIP3 1027 -3.719 23.606 -11.975 1.00 0.00 WAT1 ATOM 4589 OH2 TIP3 1028 -2.884 28.353 -15.484 1.00 0.00 WAT1 ATOM 4590 H1 TIP3 1028 -2.289 27.721 -15.944 1.00 0.00 WAT1 ATOM 4591 H2 TIP3 1028 -2.492 28.434 -14.588 1.00 0.00 WAT1 ATOM 4592 OH2 TIP3 1029 -17.398 24.754 -9.477 1.00 0.00 WAT1 ATOM 4593 H1 TIP3 1029 -16.899 25.554 -9.165 1.00 0.00 WAT1 ATOM 4594 H2 TIP3 1029 -17.350 24.811 -10.446 1.00 0.00 WAT1 ATOM 4595 OH2 TIP3 1030 -2.266 21.500 -8.169 1.00 0.00 WAT1 ATOM 4596 H1 TIP3 1030 -2.064 20.912 -8.919 1.00 0.00 WAT1 ATOM 4597 H2 TIP3 1030 -1.492 21.411 -7.582 1.00 0.00 WAT1 ATOM 4598 OH2 TIP3 1031 -26.766 29.086 -18.234 1.00 0.00 WAT1 ATOM 4599 H1 TIP3 1031 -27.587 28.652 -18.539 1.00 0.00 WAT1 ATOM 4600 H2 TIP3 1031 -26.204 28.336 -17.920 1.00 0.00 WAT1 ATOM 4601 OH2 TIP3 1032 -4.729 20.242 -7.073 1.00 0.00 WAT1 ATOM 4602 H1 TIP3 1032 -4.032 19.559 -7.003 1.00 0.00 WAT1 ATOM 4603 H2 TIP3 1032 -4.257 21.020 -7.416 1.00 0.00 WAT1 ATOM 4604 OH2 TIP3 1033 -9.844 33.408 -10.083 1.00 0.00 WAT1 ATOM 4605 H1 TIP3 1033 -8.947 33.818 -10.027 1.00 0.00 WAT1 ATOM 4606 H2 TIP3 1033 -10.158 33.638 -10.989 1.00 0.00 WAT1 ATOM 4607 OH2 TIP3 1034 -9.323 31.719 -14.070 1.00 0.00 WAT1 ATOM 4608 H1 TIP3 1034 -9.404 31.065 -13.341 1.00 0.00 WAT1 ATOM 4609 H2 TIP3 1034 -8.366 31.964 -14.063 1.00 0.00 WAT1 ATOM 4610 OH2 TIP3 1035 -4.183 18.581 -10.882 1.00 0.00 WAT1 ATOM 4611 H1 TIP3 1035 -3.520 18.458 -11.590 1.00 0.00 WAT1 ATOM 4612 H2 TIP3 1035 -3.811 19.288 -10.333 1.00 0.00 WAT1 ATOM 4613 OH2 TIP3 1036 -18.861 35.609 -15.544 1.00 0.00 WAT1 ATOM 4614 H1 TIP3 1036 -17.983 35.274 -15.286 1.00 0.00 WAT1 ATOM 4615 H2 TIP3 1036 -18.940 35.361 -16.486 1.00 0.00 WAT1 ATOM 4616 OH2 TIP3 1037 -16.425 38.866 -15.486 1.00 0.00 WAT1 ATOM 4617 H1 TIP3 1037 -17.079 38.577 -16.149 1.00 0.00 WAT1 ATOM 4618 H2 TIP3 1037 -15.895 38.059 -15.301 1.00 0.00 WAT1 ATOM 4619 OH2 TIP3 1038 -12.473 35.675 -13.728 1.00 0.00 WAT1 ATOM 4620 H1 TIP3 1038 -13.398 35.961 -13.834 1.00 0.00 WAT1 ATOM 4621 H2 TIP3 1038 -12.201 36.064 -12.860 1.00 0.00 WAT1 ATOM 4622 OH2 TIP3 1039 -9.049 36.955 -16.362 1.00 0.00 WAT1 ATOM 4623 H1 TIP3 1039 -9.788 37.566 -16.434 1.00 0.00 WAT1 ATOM 4624 H2 TIP3 1039 -9.370 36.136 -16.794 1.00 0.00 WAT1 ATOM 4625 OH2 TIP3 1040 -9.971 34.650 -17.534 1.00 0.00 WAT1 ATOM 4626 H1 TIP3 1040 -9.688 34.582 -18.456 1.00 0.00 WAT1 ATOM 4627 H2 TIP3 1040 -9.680 33.804 -17.133 1.00 0.00 WAT1 ATOM 4628 OH2 TIP3 1041 -19.899 32.182 -19.502 1.00 0.00 WAT1 ATOM 4629 H1 TIP3 1041 -19.581 33.066 -19.241 1.00 0.00 WAT1 ATOM 4630 H2 TIP3 1041 -20.302 32.325 -20.384 1.00 0.00 WAT1 ATOM 4631 OH2 TIP3 1042 -19.456 34.502 -17.998 1.00 0.00 WAT1 ATOM 4632 H1 TIP3 1042 -20.315 34.398 -17.534 1.00 0.00 WAT1 ATOM 4633 H2 TIP3 1042 -19.696 34.934 -18.855 1.00 0.00 WAT1 ATOM 4634 OH2 TIP3 1043 -12.431 35.653 -16.492 1.00 0.00 WAT1 ATOM 4635 H1 TIP3 1043 -11.590 35.355 -16.889 1.00 0.00 WAT1 ATOM 4636 H2 TIP3 1043 -12.252 35.659 -15.525 1.00 0.00 WAT1 ATOM 4637 OH2 TIP3 1044 -16.035 21.676 -11.786 1.00 0.00 WAT1 ATOM 4638 H1 TIP3 1044 -16.776 22.238 -12.084 1.00 0.00 WAT1 ATOM 4639 H2 TIP3 1044 -16.469 20.849 -11.489 1.00 0.00 WAT1 ATOM 4640 OH2 TIP3 1045 -17.330 19.570 -10.577 1.00 0.00 WAT1 ATOM 4641 H1 TIP3 1045 -17.874 18.832 -10.292 1.00 0.00 WAT1 ATOM 4642 H2 TIP3 1045 -16.613 19.614 -9.912 1.00 0.00 WAT1 ATOM 4643 OH2 TIP3 1046 -9.500 21.803 -9.100 1.00 0.00 WAT1 ATOM 4644 H1 TIP3 1046 -8.927 21.432 -8.398 1.00 0.00 WAT1 ATOM 4645 H2 TIP3 1046 -8.942 21.769 -9.901 1.00 0.00 WAT1 ATOM 4646 OH2 TIP3 1047 -0.959 34.023 -10.482 1.00 0.00 WAT1 ATOM 4647 H1 TIP3 1047 -0.989 34.835 -9.947 1.00 0.00 WAT1 ATOM 4648 H2 TIP3 1047 -1.843 33.646 -10.389 1.00 0.00 WAT1 ATOM 4649 OH2 TIP3 1048 -15.608 22.774 -8.843 1.00 0.00 WAT1 ATOM 4650 H1 TIP3 1048 -14.859 23.011 -9.423 1.00 0.00 WAT1 ATOM 4651 H2 TIP3 1048 -16.280 23.463 -9.031 1.00 0.00 WAT1 ATOM 4652 OH2 TIP3 1049 -11.342 31.140 -10.131 1.00 0.00 WAT1 ATOM 4653 H1 TIP3 1049 -10.898 32.019 -10.154 1.00 0.00 WAT1 ATOM 4654 H2 TIP3 1049 -11.937 31.197 -9.367 1.00 0.00 WAT1 ATOM 4655 OH2 TIP3 1050 -1.907 28.245 -12.930 1.00 0.00 WAT1 ATOM 4656 H1 TIP3 1050 -2.351 28.309 -12.054 1.00 0.00 WAT1 ATOM 4657 H2 TIP3 1050 -1.204 27.571 -12.792 1.00 0.00 WAT1 ATOM 4658 OH2 TIP3 1051 -7.995 26.413 -11.169 1.00 0.00 WAT1 ATOM 4659 H1 TIP3 1051 -7.479 25.593 -11.331 1.00 0.00 WAT1 ATOM 4660 H2 TIP3 1051 -8.826 26.092 -10.761 1.00 0.00 WAT1 ATOM 4661 OH2 TIP3 1052 -7.397 20.522 -7.782 1.00 0.00 WAT1 ATOM 4662 H1 TIP3 1052 -6.483 20.538 -7.440 1.00 0.00 WAT1 ATOM 4663 H2 TIP3 1052 -7.326 20.022 -8.619 1.00 0.00 WAT1 ATOM 4664 OH2 TIP3 1053 -2.527 21.001 4.223 1.00 0.00 WAT1 ATOM 4665 H1 TIP3 1053 -2.252 20.091 3.987 1.00 0.00 WAT1 ATOM 4666 H2 TIP3 1053 -1.950 21.580 3.678 1.00 0.00 WAT1 ATOM 4667 OH2 TIP3 1054 -17.592 21.632 -7.263 1.00 0.00 WAT1 ATOM 4668 H1 TIP3 1054 -17.262 20.774 -6.927 1.00 0.00 WAT1 ATOM 4669 H2 TIP3 1054 -16.819 22.019 -7.729 1.00 0.00 WAT1 ATOM 4670 OH2 TIP3 1055 -19.983 21.979 -5.933 1.00 0.00 WAT1 ATOM 4671 H1 TIP3 1055 -19.817 21.520 -5.074 1.00 0.00 WAT1 ATOM 4672 H2 TIP3 1055 -19.105 21.961 -6.385 1.00 0.00 WAT1 ATOM 4673 OH2 TIP3 1056 -16.363 19.235 -6.518 1.00 0.00 WAT1 ATOM 4674 H1 TIP3 1056 -15.986 19.336 -7.423 1.00 0.00 WAT1 ATOM 4675 H2 TIP3 1056 -15.589 19.225 -5.941 1.00 0.00 WAT1 ATOM 4676 OH2 TIP3 1057 -9.622 27.289 11.855 1.00 0.00 WAT1 ATOM 4677 H1 TIP3 1057 -8.733 27.688 11.722 1.00 0.00 WAT1 ATOM 4678 H2 TIP3 1057 -9.733 27.277 12.813 1.00 0.00 WAT1 ATOM 4679 OH2 TIP3 1058 -7.074 28.303 11.790 1.00 0.00 WAT1 ATOM 4680 H1 TIP3 1058 -6.623 27.472 12.069 1.00 0.00 WAT1 ATOM 4681 H2 TIP3 1058 -6.382 28.787 11.297 1.00 0.00 WAT1 ATOM 4682 OH2 TIP3 1059 -20.103 25.064 8.828 1.00 0.00 WAT1 ATOM 4683 H1 TIP3 1059 -19.727 24.634 8.053 1.00 0.00 WAT1 ATOM 4684 H2 TIP3 1059 -20.635 25.809 8.453 1.00 0.00 WAT1 ATOM 4685 OH2 TIP3 1060 -19.496 26.636 12.745 1.00 0.00 WAT1 ATOM 4686 H1 TIP3 1060 -18.525 26.744 12.743 1.00 0.00 WAT1 ATOM 4687 H2 TIP3 1060 -19.639 25.737 12.394 1.00 0.00 WAT1 ATOM 4688 OH2 TIP3 1061 -11.631 21.403 12.184 1.00 0.00 WAT1 ATOM 4689 H1 TIP3 1061 -11.862 21.802 11.321 1.00 0.00 WAT1 ATOM 4690 H2 TIP3 1061 -10.754 21.000 12.030 1.00 0.00 WAT1 ATOM 4691 OH2 TIP3 1062 -19.162 22.192 13.093 1.00 0.00 WAT1 ATOM 4692 H1 TIP3 1062 -19.492 22.995 12.637 1.00 0.00 WAT1 ATOM 4693 H2 TIP3 1062 -19.181 21.506 12.407 1.00 0.00 WAT1 ATOM 4694 OH2 TIP3 1063 -14.464 26.733 14.136 1.00 0.00 WAT1 ATOM 4695 H1 TIP3 1063 -13.965 27.579 14.080 1.00 0.00 WAT1 ATOM 4696 H2 TIP3 1063 -15.309 26.928 13.682 1.00 0.00 WAT1 ATOM 4697 OH2 TIP3 1064 -13.878 21.052 21.424 1.00 0.00 WAT1 ATOM 4698 H1 TIP3 1064 -13.661 21.680 20.722 1.00 0.00 WAT1 ATOM 4699 H2 TIP3 1064 -13.662 21.518 22.236 1.00 0.00 WAT1 ATOM 4700 OH2 TIP3 1065 -7.666 30.781 12.982 1.00 0.00 WAT1 ATOM 4701 H1 TIP3 1065 -7.527 29.839 12.755 1.00 0.00 WAT1 ATOM 4702 H2 TIP3 1065 -8.639 30.904 12.911 1.00 0.00 WAT1 ATOM 4703 OH2 TIP3 1066 -17.228 23.717 16.756 1.00 0.00 WAT1 ATOM 4704 H1 TIP3 1066 -16.697 22.904 16.629 1.00 0.00 WAT1 ATOM 4705 H2 TIP3 1066 -16.642 24.427 16.471 1.00 0.00 WAT1 ATOM 4706 OH2 TIP3 1067 -18.708 28.971 9.000 1.00 0.00 WAT1 ATOM 4707 H1 TIP3 1067 -19.114 29.676 8.454 1.00 0.00 WAT1 ATOM 4708 H2 TIP3 1067 -19.434 28.707 9.623 1.00 0.00 WAT1 ATOM 4709 OH2 TIP3 1068 -13.324 20.614 18.409 1.00 0.00 WAT1 ATOM 4710 H1 TIP3 1068 -14.291 20.551 18.333 1.00 0.00 WAT1 ATOM 4711 H2 TIP3 1068 -13.085 19.878 18.986 1.00 0.00 WAT1 ATOM 4712 OH2 TIP3 1069 -6.986 33.411 13.878 1.00 0.00 WAT1 ATOM 4713 H1 TIP3 1069 -7.039 32.433 13.880 1.00 0.00 WAT1 ATOM 4714 H2 TIP3 1069 -6.043 33.600 13.667 1.00 0.00 WAT1 ATOM 4715 OH2 TIP3 1070 -5.916 31.794 11.113 1.00 0.00 WAT1 ATOM 4716 H1 TIP3 1070 -6.577 31.634 11.821 1.00 0.00 WAT1 ATOM 4717 H2 TIP3 1070 -5.502 30.914 10.974 1.00 0.00 WAT1 ATOM 4718 OH2 TIP3 1071 -11.536 29.212 11.353 1.00 0.00 WAT1 ATOM 4719 H1 TIP3 1071 -11.003 28.399 11.478 1.00 0.00 WAT1 ATOM 4720 H2 TIP3 1071 -11.556 29.336 10.380 1.00 0.00 WAT1 ATOM 4721 OH2 TIP3 1072 -18.493 20.993 15.498 1.00 0.00 WAT1 ATOM 4722 H1 TIP3 1072 -19.040 21.362 16.219 1.00 0.00 WAT1 ATOM 4723 H2 TIP3 1072 -18.756 21.518 14.703 1.00 0.00 WAT1 ATOM 4724 OH2 TIP3 1073 -11.241 33.702 15.860 1.00 0.00 WAT1 ATOM 4725 H1 TIP3 1073 -11.458 34.523 15.404 1.00 0.00 WAT1 ATOM 4726 H2 TIP3 1073 -10.601 33.962 16.529 1.00 0.00 WAT1 ATOM 4727 OH2 TIP3 1074 -4.424 14.518 11.321 1.00 0.00 WAT1 ATOM 4728 H1 TIP3 1074 -5.082 15.214 11.117 1.00 0.00 WAT1 ATOM 4729 H2 TIP3 1074 -3.599 14.837 10.884 1.00 0.00 WAT1 ATOM 4730 OH2 TIP3 1075 -13.441 24.279 13.589 1.00 0.00 WAT1 ATOM 4731 H1 TIP3 1075 -12.540 24.305 13.960 1.00 0.00 WAT1 ATOM 4732 H2 TIP3 1075 -13.833 25.152 13.844 1.00 0.00 WAT1 ATOM 4733 OH2 TIP3 1076 -12.414 31.748 14.285 1.00 0.00 WAT1 ATOM 4734 H1 TIP3 1076 -12.012 32.187 15.063 1.00 0.00 WAT1 ATOM 4735 H2 TIP3 1076 -12.938 32.463 13.858 1.00 0.00 WAT1 ATOM 4736 OH2 TIP3 1077 -8.891 33.559 11.902 1.00 0.00 WAT1 ATOM 4737 H1 TIP3 1077 -9.536 32.850 12.116 1.00 0.00 WAT1 ATOM 4738 H2 TIP3 1077 -8.249 33.527 12.644 1.00 0.00 WAT1 ATOM 4739 OH2 TIP3 1078 -15.863 21.410 16.000 1.00 0.00 WAT1 ATOM 4740 H1 TIP3 1078 -15.271 21.381 15.219 1.00 0.00 WAT1 ATOM 4741 H2 TIP3 1078 -16.742 21.144 15.647 1.00 0.00 WAT1 ATOM 4742 OH2 TIP3 1079 -14.043 21.637 13.808 1.00 0.00 WAT1 ATOM 4743 H1 TIP3 1079 -13.284 21.320 13.280 1.00 0.00 WAT1 ATOM 4744 H2 TIP3 1079 -13.962 22.619 13.774 1.00 0.00 WAT1 ATOM 4745 OH2 TIP3 1080 -9.337 23.778 11.796 1.00 0.00 WAT1 ATOM 4746 H1 TIP3 1080 -9.782 23.727 12.668 1.00 0.00 WAT1 ATOM 4747 H2 TIP3 1080 -9.438 24.702 11.532 1.00 0.00 WAT1 ATOM 4748 OH2 TIP3 1081 -10.864 23.265 14.100 1.00 0.00 WAT1 ATOM 4749 H1 TIP3 1081 -11.119 22.897 14.973 1.00 0.00 WAT1 ATOM 4750 H2 TIP3 1081 -11.168 22.588 13.462 1.00 0.00 WAT1 ATOM 4751 OH2 TIP3 1082 -20.410 24.271 11.556 1.00 0.00 WAT1 ATOM 4752 H1 TIP3 1082 -21.350 24.470 11.764 1.00 0.00 WAT1 ATOM 4753 H2 TIP3 1082 -20.303 24.566 10.625 1.00 0.00 WAT1 ATOM 4754 OH2 TIP3 1083 -15.727 23.343 8.684 1.00 0.00 WAT1 ATOM 4755 H1 TIP3 1083 -16.164 22.649 8.186 1.00 0.00 WAT1 ATOM 4756 H2 TIP3 1083 -15.704 24.110 8.057 1.00 0.00 WAT1 ATOM 4757 OH2 TIP3 1084 -15.916 25.401 6.896 1.00 0.00 WAT1 ATOM 4758 H1 TIP3 1084 -16.573 26.121 6.756 1.00 0.00 WAT1 ATOM 4759 H2 TIP3 1084 -15.054 25.829 6.725 1.00 0.00 WAT1 ATOM 4760 OH2 TIP3 1085 -8.892 21.097 11.445 1.00 0.00 WAT1 ATOM 4761 H1 TIP3 1085 -8.131 21.012 12.030 1.00 0.00 WAT1 ATOM 4762 H2 TIP3 1085 -9.030 22.072 11.374 1.00 0.00 WAT1 ATOM 4763 OH2 TIP3 1086 -12.927 24.623 10.883 1.00 0.00 WAT1 ATOM 4764 H1 TIP3 1086 -13.708 25.143 10.593 1.00 0.00 WAT1 ATOM 4765 H2 TIP3 1086 -13.051 24.529 11.848 1.00 0.00 WAT1 ATOM 4766 OH2 TIP3 1087 -2.966 24.449 12.245 1.00 0.00 WAT1 ATOM 4767 H1 TIP3 1087 -2.756 25.388 12.443 1.00 0.00 WAT1 ATOM 4768 H2 TIP3 1087 -3.270 24.086 13.106 1.00 0.00 WAT1 ATOM 4769 OH2 TIP3 1088 -6.118 34.268 9.913 1.00 0.00 WAT1 ATOM 4770 H1 TIP3 1088 -5.934 33.451 10.423 1.00 0.00 WAT1 ATOM 4771 H2 TIP3 1088 -7.033 34.158 9.616 1.00 0.00 WAT1 ATOM 4772 OH2 TIP3 1089 -16.667 27.184 12.466 1.00 0.00 WAT1 ATOM 4773 H1 TIP3 1089 -16.743 28.076 12.053 1.00 0.00 WAT1 ATOM 4774 H2 TIP3 1089 -16.273 26.633 11.767 1.00 0.00 WAT1 ATOM 4775 OH2 TIP3 1090 -15.416 25.560 10.280 1.00 0.00 WAT1 ATOM 4776 H1 TIP3 1090 -16.229 26.044 9.997 1.00 0.00 WAT1 ATOM 4777 H2 TIP3 1090 -15.478 24.707 9.809 1.00 0.00 WAT1 ATOM 4778 OH2 TIP3 1091 -13.103 29.087 13.636 1.00 0.00 WAT1 ATOM 4779 H1 TIP3 1091 -12.638 29.107 12.777 1.00 0.00 WAT1 ATOM 4780 H2 TIP3 1091 -12.982 29.989 13.993 1.00 0.00 WAT1 ATOM 4781 OH2 TIP3 1092 -16.899 29.571 11.060 1.00 0.00 WAT1 ATOM 4782 H1 TIP3 1092 -16.905 30.532 11.147 1.00 0.00 WAT1 ATOM 4783 H2 TIP3 1092 -17.498 29.396 10.308 1.00 0.00 WAT1 ATOM 4784 OH2 TIP3 1093 -1.156 37.437 9.417 1.00 0.00 WAT1 ATOM 4785 H1 TIP3 1093 -2.007 37.905 9.592 1.00 0.00 WAT1 ATOM 4786 H2 TIP3 1093 -0.517 37.874 10.019 1.00 0.00 WAT1 ATOM 4787 OH2 TIP3 1094 -20.086 21.788 17.780 1.00 0.00 WAT1 ATOM 4788 H1 TIP3 1094 -19.899 22.742 17.634 1.00 0.00 WAT1 ATOM 4789 H2 TIP3 1094 -21.043 21.766 18.005 1.00 0.00 WAT1 ATOM 4790 OH2 TIP3 1095 -17.849 26.470 9.675 1.00 0.00 WAT1 ATOM 4791 H1 TIP3 1095 -18.049 27.392 9.422 1.00 0.00 WAT1 ATOM 4792 H2 TIP3 1095 -18.675 25.987 9.484 1.00 0.00 WAT1 ATOM 4793 OH2 TIP3 1096 -7.769 18.878 10.118 1.00 0.00 WAT1 ATOM 4794 H1 TIP3 1096 -7.381 19.314 9.351 1.00 0.00 WAT1 ATOM 4795 H2 TIP3 1096 -8.286 19.582 10.558 1.00 0.00 WAT1 ATOM 4796 OH2 TIP3 1097 -9.381 35.943 8.499 1.00 0.00 WAT1 ATOM 4797 H1 TIP3 1097 -9.157 36.197 9.421 1.00 0.00 WAT1 ATOM 4798 H2 TIP3 1097 -9.226 34.974 8.477 1.00 0.00 WAT1 ATOM 4799 OH2 TIP3 1098 -11.904 22.459 9.632 1.00 0.00 WAT1 ATOM 4800 H1 TIP3 1098 -11.135 22.768 9.139 1.00 0.00 WAT1 ATOM 4801 H2 TIP3 1098 -12.309 23.290 9.990 1.00 0.00 WAT1 ATOM 4802 OH2 TIP3 1099 -14.538 17.824 11.358 1.00 0.00 WAT1 ATOM 4803 H1 TIP3 1099 -15.431 18.208 11.234 1.00 0.00 WAT1 ATOM 4804 H2 TIP3 1099 -14.165 18.328 12.088 1.00 0.00 WAT1 ATOM 4805 OH2 TIP3 1100 -10.340 31.321 12.578 1.00 0.00 WAT1 ATOM 4806 H1 TIP3 1100 -10.736 30.574 12.075 1.00 0.00 WAT1 ATOM 4807 H2 TIP3 1100 -11.022 31.538 13.254 1.00 0.00 WAT1 ATOM 4808 OH2 TIP3 1101 -15.474 21.652 10.947 1.00 0.00 WAT1 ATOM 4809 H1 TIP3 1101 -15.238 22.082 11.785 1.00 0.00 WAT1 ATOM 4810 H2 TIP3 1101 -15.540 22.393 10.306 1.00 0.00 WAT1 ATOM 4811 OH2 TIP3 1102 -20.109 30.792 7.488 1.00 0.00 WAT1 ATOM 4812 H1 TIP3 1102 -20.151 29.999 6.891 1.00 0.00 WAT1 ATOM 4813 H2 TIP3 1102 -20.221 31.546 6.881 1.00 0.00 WAT1 ATOM 4814 OH2 TIP3 1103 -15.012 18.703 20.402 1.00 0.00 WAT1 ATOM 4815 H1 TIP3 1103 -15.532 19.154 19.704 1.00 0.00 WAT1 ATOM 4816 H2 TIP3 1103 -14.644 19.437 20.934 1.00 0.00 WAT1 ATOM 4817 OH2 TIP3 1104 -17.825 27.516 6.653 1.00 0.00 WAT1 ATOM 4818 H1 TIP3 1104 -18.545 27.872 6.089 1.00 0.00 WAT1 ATOM 4819 H2 TIP3 1104 -17.928 27.994 7.491 1.00 0.00 WAT1 ATOM 4820 OH2 TIP3 1105 -2.795 29.886 12.854 1.00 0.00 WAT1 ATOM 4821 H1 TIP3 1105 -1.946 30.242 12.508 1.00 0.00 WAT1 ATOM 4822 H2 TIP3 1105 -3.095 30.571 13.498 1.00 0.00 WAT1 ATOM 4823 OH2 TIP3 1106 -3.513 31.906 14.519 1.00 0.00 WAT1 ATOM 4824 H1 TIP3 1106 -3.812 32.749 14.118 1.00 0.00 WAT1 ATOM 4825 H2 TIP3 1106 -3.306 32.137 15.428 1.00 0.00 WAT1 ATOM 4826 OH2 TIP3 1107 -4.673 29.391 10.904 1.00 0.00 WAT1 ATOM 4827 H1 TIP3 1107 -3.969 29.088 10.299 1.00 0.00 WAT1 ATOM 4828 H2 TIP3 1107 -4.196 29.557 11.748 1.00 0.00 WAT1 ATOM 4829 OH2 TIP3 1108 -5.300 26.295 12.235 1.00 0.00 WAT1 ATOM 4830 H1 TIP3 1108 -4.454 26.742 12.433 1.00 0.00 WAT1 ATOM 4831 H2 TIP3 1108 -5.041 25.395 12.008 1.00 0.00 WAT1 ATOM 4832 OH2 TIP3 1109 -3.977 23.574 14.638 1.00 0.00 WAT1 ATOM 4833 H1 TIP3 1109 -4.824 23.800 15.037 1.00 0.00 WAT1 ATOM 4834 H2 TIP3 1109 -3.452 23.234 15.371 1.00 0.00 WAT1 ATOM 4835 OH2 TIP3 1110 -3.401 21.944 10.661 1.00 0.00 WAT1 ATOM 4836 H1 TIP3 1110 -2.685 22.470 10.254 1.00 0.00 WAT1 ATOM 4837 H2 TIP3 1110 -3.685 22.482 11.412 1.00 0.00 WAT1 ATOM 4838 OH2 TIP3 1111 -22.273 23.370 16.099 1.00 0.00 WAT1 ATOM 4839 H1 TIP3 1111 -21.433 23.838 16.280 1.00 0.00 WAT1 ATOM 4840 H2 TIP3 1111 -22.529 22.996 16.969 1.00 0.00 WAT1 ATOM 4841 OH2 TIP3 1112 -2.877 21.263 6.909 1.00 0.00 WAT1 ATOM 4842 H1 TIP3 1112 -2.587 21.188 5.972 1.00 0.00 WAT1 ATOM 4843 H2 TIP3 1112 -3.848 21.259 6.852 1.00 0.00 WAT1 ATOM 4844 OH2 TIP3 1113 -4.407 34.186 13.221 1.00 0.00 WAT1 ATOM 4845 H1 TIP3 1113 -3.870 34.121 12.417 1.00 0.00 WAT1 ATOM 4846 H2 TIP3 1113 -4.418 35.152 13.422 1.00 0.00 WAT1 ATOM 4847 OH2 TIP3 1114 -19.829 19.347 20.957 1.00 0.00 WAT1 ATOM 4848 H1 TIP3 1114 -19.420 20.047 21.489 1.00 0.00 WAT1 ATOM 4849 H2 TIP3 1114 -20.782 19.403 21.181 1.00 0.00 WAT1 ATOM 4850 OH2 TIP3 1115 -12.196 21.813 16.093 1.00 0.00 WAT1 ATOM 4851 H1 TIP3 1115 -12.447 21.458 16.971 1.00 0.00 WAT1 ATOM 4852 H2 TIP3 1115 -12.936 21.569 15.520 1.00 0.00 WAT1 ATOM 4853 OH2 TIP3 1116 -9.954 15.450 19.914 1.00 0.00 WAT1 ATOM 4854 H1 TIP3 1116 -10.199 16.146 19.297 1.00 0.00 WAT1 ATOM 4855 H2 TIP3 1116 -9.206 14.986 19.466 1.00 0.00 WAT1 ATOM 4856 OH2 TIP3 1117 -6.172 16.618 10.550 1.00 0.00 WAT1 ATOM 4857 H1 TIP3 1117 -6.876 17.301 10.498 1.00 0.00 WAT1 ATOM 4858 H2 TIP3 1117 -5.481 16.946 9.935 1.00 0.00 WAT1 ATOM 4859 OH2 TIP3 1118 -19.180 32.020 9.797 1.00 0.00 WAT1 ATOM 4860 H1 TIP3 1118 -19.627 31.526 9.081 1.00 0.00 WAT1 ATOM 4861 H2 TIP3 1118 -19.410 32.956 9.624 1.00 0.00 WAT1 ATOM 4862 OH2 TIP3 1119 -13.425 20.135 9.631 1.00 0.00 WAT1 ATOM 4863 H1 TIP3 1119 -12.816 20.893 9.506 1.00 0.00 WAT1 ATOM 4864 H2 TIP3 1119 -14.204 20.529 10.065 1.00 0.00 WAT1 ATOM 4865 OH2 TIP3 1120 -1.338 35.255 11.200 1.00 0.00 WAT1 ATOM 4866 H1 TIP3 1120 -1.066 34.422 10.762 1.00 0.00 WAT1 ATOM 4867 H2 TIP3 1120 -1.382 35.902 10.474 1.00 0.00 WAT1 ATOM 4868 OH2 TIP3 1121 -19.862 35.063 6.686 1.00 0.00 WAT1 ATOM 4869 H1 TIP3 1121 -19.949 34.176 6.295 1.00 0.00 WAT1 ATOM 4870 H2 TIP3 1121 -19.667 34.892 7.633 1.00 0.00 WAT1 ATOM 4871 OH2 TIP3 1122 -16.090 51.434 -17.177 1.00 0.00 WAT1 ATOM 4872 H1 TIP3 1122 -16.109 51.063 -16.269 1.00 0.00 WAT1 ATOM 4873 H2 TIP3 1122 -15.603 52.256 -17.084 1.00 0.00 WAT1 ATOM 4874 OH2 TIP3 1123 -22.051 46.224 -23.627 1.00 0.00 WAT1 ATOM 4875 H1 TIP3 1123 -21.279 45.985 -23.093 1.00 0.00 WAT1 ATOM 4876 H2 TIP3 1123 -22.228 47.147 -23.387 1.00 0.00 WAT1 ATOM 4877 OH2 TIP3 1124 -22.132 42.627 -19.179 1.00 0.00 WAT1 ATOM 4878 H1 TIP3 1124 -23.095 42.665 -19.415 1.00 0.00 WAT1 ATOM 4879 H2 TIP3 1124 -22.076 41.918 -18.529 1.00 0.00 WAT1 ATOM 4880 OH2 TIP3 1125 -24.670 42.670 -20.072 1.00 0.00 WAT1 ATOM 4881 H1 TIP3 1125 -25.228 43.442 -20.286 1.00 0.00 WAT1 ATOM 4882 H2 TIP3 1125 -24.620 42.175 -20.918 1.00 0.00 WAT1 ATOM 4883 OH2 TIP3 1126 -12.971 41.749 -15.020 1.00 0.00 WAT1 ATOM 4884 H1 TIP3 1126 -12.711 42.695 -14.947 1.00 0.00 WAT1 ATOM 4885 H2 TIP3 1126 -12.138 41.282 -15.107 1.00 0.00 WAT1 ATOM 4886 OH2 TIP3 1127 -14.941 46.593 -15.009 1.00 0.00 WAT1 ATOM 4887 H1 TIP3 1127 -15.248 45.827 -15.546 1.00 0.00 WAT1 ATOM 4888 H2 TIP3 1127 -15.085 46.302 -14.081 1.00 0.00 WAT1 ATOM 4889 OH2 TIP3 1128 -21.246 40.951 -21.209 1.00 0.00 WAT1 ATOM 4890 H1 TIP3 1128 -20.865 41.440 -21.950 1.00 0.00 WAT1 ATOM 4891 H2 TIP3 1128 -21.509 41.648 -20.572 1.00 0.00 WAT1 ATOM 4892 OH2 TIP3 1129 -18.401 47.990 -12.871 1.00 0.00 WAT1 ATOM 4893 H1 TIP3 1129 -17.511 48.392 -12.824 1.00 0.00 WAT1 ATOM 4894 H2 TIP3 1129 -18.988 48.663 -12.468 1.00 0.00 WAT1 ATOM 4895 OH2 TIP3 1130 -22.532 48.457 -21.838 1.00 0.00 WAT1 ATOM 4896 H1 TIP3 1130 -23.373 47.986 -21.711 1.00 0.00 WAT1 ATOM 4897 H2 TIP3 1130 -22.379 48.909 -20.983 1.00 0.00 WAT1 ATOM 4898 OH2 TIP3 1131 -20.504 46.716 -21.193 1.00 0.00 WAT1 ATOM 4899 H1 TIP3 1131 -19.923 47.119 -20.512 1.00 0.00 WAT1 ATOM 4900 H2 TIP3 1131 -21.039 47.464 -21.522 1.00 0.00 WAT1 ATOM 4901 OH2 TIP3 1132 -17.029 48.241 -15.609 1.00 0.00 WAT1 ATOM 4902 H1 TIP3 1132 -16.859 49.171 -15.354 1.00 0.00 WAT1 ATOM 4903 H2 TIP3 1132 -16.201 47.774 -15.369 1.00 0.00 WAT1 ATOM 4904 OH2 TIP3 1133 -12.272 47.177 -14.994 1.00 0.00 WAT1 ATOM 4905 H1 TIP3 1133 -12.073 47.862 -15.642 1.00 0.00 WAT1 ATOM 4906 H2 TIP3 1133 -13.251 47.072 -15.048 1.00 0.00 WAT1 ATOM 4907 OH2 TIP3 1134 -15.373 45.706 -12.452 1.00 0.00 WAT1 ATOM 4908 H1 TIP3 1134 -14.838 46.258 -11.846 1.00 0.00 WAT1 ATOM 4909 H2 TIP3 1134 -16.284 45.851 -12.160 1.00 0.00 WAT1 ATOM 4910 OH2 TIP3 1135 -22.089 46.774 -12.115 1.00 0.00 WAT1 ATOM 4911 H1 TIP3 1135 -21.998 47.485 -11.445 1.00 0.00 WAT1 ATOM 4912 H2 TIP3 1135 -23.047 46.609 -12.163 1.00 0.00 WAT1 ATOM 4913 OH2 TIP3 1136 -15.935 49.139 -12.234 1.00 0.00 WAT1 ATOM 4914 H1 TIP3 1136 -16.383 49.614 -11.499 1.00 0.00 WAT1 ATOM 4915 H2 TIP3 1136 -15.202 48.657 -11.795 1.00 0.00 WAT1 ATOM 4916 OH2 TIP3 1137 -7.905 40.906 -9.519 1.00 0.00 WAT1 ATOM 4917 H1 TIP3 1137 -7.624 41.846 -9.482 1.00 0.00 WAT1 ATOM 4918 H2 TIP3 1137 -7.069 40.405 -9.539 1.00 0.00 WAT1 ATOM 4919 OH2 TIP3 1138 -12.261 44.384 -14.584 1.00 0.00 WAT1 ATOM 4920 H1 TIP3 1138 -12.064 45.237 -15.009 1.00 0.00 WAT1 ATOM 4921 H2 TIP3 1138 -12.729 44.626 -13.777 1.00 0.00 WAT1 ATOM 4922 OH2 TIP3 1139 -10.999 38.939 -7.191 1.00 0.00 WAT1 ATOM 4923 H1 TIP3 1139 -10.847 39.789 -7.656 1.00 0.00 WAT1 ATOM 4924 H2 TIP3 1139 -10.523 38.280 -7.740 1.00 0.00 WAT1 ATOM 4925 OH2 TIP3 1140 -15.685 41.618 -15.235 1.00 0.00 WAT1 ATOM 4926 H1 TIP3 1140 -15.968 40.694 -15.397 1.00 0.00 WAT1 ATOM 4927 H2 TIP3 1140 -14.702 41.563 -15.187 1.00 0.00 WAT1 ATOM 4928 OH2 TIP3 1141 -24.568 41.744 -22.647 1.00 0.00 WAT1 ATOM 4929 H1 TIP3 1141 -25.483 41.877 -22.973 1.00 0.00 WAT1 ATOM 4930 H2 TIP3 1141 -24.064 42.494 -23.047 1.00 0.00 WAT1 ATOM 4931 OH2 TIP3 1142 -22.549 45.153 -20.314 1.00 0.00 WAT1 ATOM 4932 H1 TIP3 1142 -22.235 44.269 -20.054 1.00 0.00 WAT1 ATOM 4933 H2 TIP3 1142 -21.746 45.602 -20.658 1.00 0.00 WAT1 ATOM 4934 OH2 TIP3 1143 -19.838 49.757 -11.284 1.00 0.00 WAT1 ATOM 4935 H1 TIP3 1143 -19.073 49.899 -10.687 1.00 0.00 WAT1 ATOM 4936 H2 TIP3 1143 -20.520 49.340 -10.710 1.00 0.00 WAT1 ATOM 4937 OH2 TIP3 1144 -17.602 46.432 -17.572 1.00 0.00 WAT1 ATOM 4938 H1 TIP3 1144 -17.341 47.180 -16.994 1.00 0.00 WAT1 ATOM 4939 H2 TIP3 1144 -16.950 45.738 -17.372 1.00 0.00 WAT1 ATOM 4940 OH2 TIP3 1145 -19.713 45.629 -12.763 1.00 0.00 WAT1 ATOM 4941 H1 TIP3 1145 -19.167 46.447 -12.756 1.00 0.00 WAT1 ATOM 4942 H2 TIP3 1145 -20.615 45.946 -12.538 1.00 0.00 WAT1 ATOM 4943 OH2 TIP3 1146 -18.461 44.182 -14.633 1.00 0.00 WAT1 ATOM 4944 H1 TIP3 1146 -17.967 43.536 -14.086 1.00 0.00 WAT1 ATOM 4945 H2 TIP3 1146 -19.008 44.677 -13.978 1.00 0.00 WAT1 ATOM 4946 OH2 TIP3 1147 -20.309 50.861 -14.976 1.00 0.00 WAT1 ATOM 4947 H1 TIP3 1147 -20.377 51.057 -14.025 1.00 0.00 WAT1 ATOM 4948 H2 TIP3 1147 -19.941 51.679 -15.359 1.00 0.00 WAT1 ATOM 4949 OH2 TIP3 1148 -22.473 36.661 -16.213 1.00 0.00 WAT1 ATOM 4950 H1 TIP3 1148 -23.145 37.330 -16.486 1.00 0.00 WAT1 ATOM 4951 H2 TIP3 1148 -21.712 37.201 -15.899 1.00 0.00 WAT1 ATOM 4952 OH2 TIP3 1149 -21.992 49.096 -19.188 1.00 0.00 WAT1 ATOM 4953 H1 TIP3 1149 -21.082 48.726 -19.164 1.00 0.00 WAT1 ATOM 4954 H2 TIP3 1149 -22.053 49.625 -18.362 1.00 0.00 WAT1 ATOM 4955 OH2 TIP3 1150 -17.807 52.481 -13.302 1.00 0.00 WAT1 ATOM 4956 H1 TIP3 1150 -17.323 52.862 -12.539 1.00 0.00 WAT1 ATOM 4957 H2 TIP3 1150 -18.731 52.414 -12.986 1.00 0.00 WAT1 ATOM 4958 OH2 TIP3 1151 -16.684 52.135 -8.100 1.00 0.00 WAT1 ATOM 4959 H1 TIP3 1151 -17.518 52.124 -7.572 1.00 0.00 WAT1 ATOM 4960 H2 TIP3 1151 -16.011 52.405 -7.468 1.00 0.00 WAT1 ATOM 4961 OH2 TIP3 1152 -20.055 42.590 -10.885 1.00 0.00 WAT1 ATOM 4962 H1 TIP3 1152 -19.770 41.720 -11.223 1.00 0.00 WAT1 ATOM 4963 H2 TIP3 1152 -19.520 43.226 -11.381 1.00 0.00 WAT1 ATOM 4964 OH2 TIP3 1153 -16.182 44.406 -16.108 1.00 0.00 WAT1 ATOM 4965 H1 TIP3 1153 -17.063 44.341 -15.678 1.00 0.00 WAT1 ATOM 4966 H2 TIP3 1153 -15.863 43.485 -16.127 1.00 0.00 WAT1 ATOM 4967 OH2 TIP3 1154 -14.005 47.632 -10.870 1.00 0.00 WAT1 ATOM 4968 H1 TIP3 1154 -13.729 47.545 -9.947 1.00 0.00 WAT1 ATOM 4969 H2 TIP3 1154 -13.167 47.513 -11.382 1.00 0.00 WAT1 ATOM 4970 OH2 TIP3 1155 -16.573 42.984 -13.033 1.00 0.00 WAT1 ATOM 4971 H1 TIP3 1155 -15.933 43.715 -13.006 1.00 0.00 WAT1 ATOM 4972 H2 TIP3 1155 -16.247 42.404 -13.760 1.00 0.00 WAT1 ATOM 4973 OH2 TIP3 1156 -10.488 41.106 -8.757 1.00 0.00 WAT1 ATOM 4974 H1 TIP3 1156 -9.539 41.146 -9.027 1.00 0.00 WAT1 ATOM 4975 H2 TIP3 1156 -10.865 41.960 -9.071 1.00 0.00 WAT1 ATOM 4976 OH2 TIP3 1157 -16.844 42.402 -10.347 1.00 0.00 WAT1 ATOM 4977 H1 TIP3 1157 -16.775 42.546 -11.316 1.00 0.00 WAT1 ATOM 4978 H2 TIP3 1157 -15.915 42.464 -10.030 1.00 0.00 WAT1 ATOM 4979 OH2 TIP3 1158 -11.952 36.701 -11.273 1.00 0.00 WAT1 ATOM 4980 H1 TIP3 1158 -11.525 37.549 -11.046 1.00 0.00 WAT1 ATOM 4981 H2 TIP3 1158 -11.930 36.191 -10.439 1.00 0.00 WAT1 ATOM 4982 OH2 TIP3 1159 -10.882 39.231 -10.762 1.00 0.00 WAT1 ATOM 4983 H1 TIP3 1159 -10.761 39.817 -9.986 1.00 0.00 WAT1 ATOM 4984 H2 TIP3 1159 -11.616 39.628 -11.245 1.00 0.00 WAT1 ATOM 4985 OH2 TIP3 1160 -12.839 41.423 -6.008 1.00 0.00 WAT1 ATOM 4986 H1 TIP3 1160 -12.905 40.589 -6.488 1.00 0.00 WAT1 ATOM 4987 H2 TIP3 1160 -13.772 41.704 -5.884 1.00 0.00 WAT1 ATOM 4988 OH2 TIP3 1161 -11.436 35.320 -8.869 1.00 0.00 WAT1 ATOM 4989 H1 TIP3 1161 -10.742 35.986 -8.688 1.00 0.00 WAT1 ATOM 4990 H2 TIP3 1161 -10.941 34.539 -9.178 1.00 0.00 WAT1 ATOM 4991 OH2 TIP3 1162 -19.275 39.914 -11.203 1.00 0.00 WAT1 ATOM 4992 H1 TIP3 1162 -18.873 39.866 -12.109 1.00 0.00 WAT1 ATOM 4993 H2 TIP3 1162 -19.838 39.133 -11.157 1.00 0.00 WAT1 ATOM 4994 OH2 TIP3 1163 -9.471 37.219 -8.749 1.00 0.00 WAT1 ATOM 4995 H1 TIP3 1163 -9.350 37.479 -9.680 1.00 0.00 WAT1 ATOM 4996 H2 TIP3 1163 -8.555 37.064 -8.426 1.00 0.00 WAT1 ATOM 4997 OH2 TIP3 1164 -16.599 45.190 -5.281 1.00 0.00 WAT1 ATOM 4998 H1 TIP3 1164 -16.028 45.677 -5.887 1.00 0.00 WAT1 ATOM 4999 H2 TIP3 1164 -16.340 45.523 -4.392 1.00 0.00 WAT1 ATOM 5000 OH2 TIP3 1165 -19.324 48.072 -19.093 1.00 0.00 WAT1 ATOM 5001 H1 TIP3 1165 -18.797 47.422 -18.577 1.00 0.00 WAT1 ATOM 5002 H2 TIP3 1165 -18.756 48.880 -19.103 1.00 0.00 WAT1 ATOM 5003 OH2 TIP3 1166 -5.023 35.726 -6.650 1.00 0.00 WAT1 ATOM 5004 H1 TIP3 1166 -4.471 35.040 -7.059 1.00 0.00 WAT1 ATOM 5005 H2 TIP3 1166 -4.600 35.884 -5.776 1.00 0.00 WAT1 ATOM 5006 OH2 TIP3 1167 -18.382 38.610 -17.624 1.00 0.00 WAT1 ATOM 5007 H1 TIP3 1167 -17.624 38.670 -18.215 1.00 0.00 WAT1 ATOM 5008 H2 TIP3 1167 -19.158 38.741 -18.218 1.00 0.00 WAT1 ATOM 5009 OH2 TIP3 1168 -8.015 38.132 -11.123 1.00 0.00 WAT1 ATOM 5010 H1 TIP3 1168 -8.784 38.696 -11.306 1.00 0.00 WAT1 ATOM 5011 H2 TIP3 1168 -7.418 38.701 -10.606 1.00 0.00 WAT1 ATOM 5012 OH2 TIP3 1169 -23.616 40.983 -28.157 1.00 0.00 WAT1 ATOM 5013 H1 TIP3 1169 -23.219 40.443 -27.431 1.00 0.00 WAT1 ATOM 5014 H2 TIP3 1169 -22.866 41.428 -28.556 1.00 0.00 WAT1 ATOM 5015 OH2 TIP3 1170 -20.095 38.013 -15.475 1.00 0.00 WAT1 ATOM 5016 H1 TIP3 1170 -19.553 38.341 -16.221 1.00 0.00 WAT1 ATOM 5017 H2 TIP3 1170 -19.703 37.135 -15.265 1.00 0.00 WAT1 ATOM 5018 OH2 TIP3 1171 -17.076 53.195 -10.748 1.00 0.00 WAT1 ATOM 5019 H1 TIP3 1171 -16.812 53.117 -9.811 1.00 0.00 WAT1 ATOM 5020 H2 TIP3 1171 -17.819 53.835 -10.736 1.00 0.00 WAT1 ATOM 5021 OH2 TIP3 1172 -16.232 50.645 -14.543 1.00 0.00 WAT1 ATOM 5022 H1 TIP3 1172 -15.945 50.145 -13.748 1.00 0.00 WAT1 ATOM 5023 H2 TIP3 1172 -16.791 51.369 -14.179 1.00 0.00 WAT1 ATOM 5024 OH2 TIP3 1173 -6.873 36.199 -14.917 1.00 0.00 WAT1 ATOM 5025 H1 TIP3 1173 -7.696 36.542 -15.335 1.00 0.00 WAT1 ATOM 5026 H2 TIP3 1173 -6.210 36.277 -15.607 1.00 0.00 WAT1 ATOM 5027 OH2 TIP3 1174 -19.566 55.741 -13.497 1.00 0.00 WAT1 ATOM 5028 H1 TIP3 1174 -19.525 55.390 -12.582 1.00 0.00 WAT1 ATOM 5029 H2 TIP3 1174 -19.562 56.695 -13.384 1.00 0.00 WAT1 ATOM 5030 OH2 TIP3 1175 -19.428 53.644 -15.261 1.00 0.00 WAT1 ATOM 5031 H1 TIP3 1175 -18.652 53.254 -14.820 1.00 0.00 WAT1 ATOM 5032 H2 TIP3 1175 -19.572 54.493 -14.780 1.00 0.00 WAT1 ATOM 5033 OH2 TIP3 1176 -17.547 50.138 -19.099 1.00 0.00 WAT1 ATOM 5034 H1 TIP3 1176 -17.125 50.605 -18.343 1.00 0.00 WAT1 ATOM 5035 H2 TIP3 1176 -16.935 50.270 -19.827 1.00 0.00 WAT1 ATOM 5036 OH2 TIP3 1177 -19.828 39.063 -25.500 1.00 0.00 WAT1 ATOM 5037 H1 TIP3 1177 -19.433 38.381 -24.947 1.00 0.00 WAT1 ATOM 5038 H2 TIP3 1177 -19.105 39.365 -26.059 1.00 0.00 WAT1 ATOM 5039 OH2 TIP3 1178 -18.489 39.547 -13.717 1.00 0.00 WAT1 ATOM 5040 H1 TIP3 1178 -19.143 39.076 -14.265 1.00 0.00 WAT1 ATOM 5041 H2 TIP3 1178 -17.650 39.447 -14.209 1.00 0.00 WAT1 ATOM 5042 OH2 TIP3 1179 -7.391 34.616 -9.948 1.00 0.00 WAT1 ATOM 5043 H1 TIP3 1179 -7.071 34.968 -10.810 1.00 0.00 WAT1 ATOM 5044 H2 TIP3 1179 -7.223 35.345 -9.317 1.00 0.00 WAT1 ATOM 5045 OH2 TIP3 1180 -9.787 45.786 -4.668 1.00 0.00 WAT1 ATOM 5046 H1 TIP3 1180 -10.560 45.586 -4.088 1.00 0.00 WAT1 ATOM 5047 H2 TIP3 1180 -10.121 46.465 -5.285 1.00 0.00 WAT1 ATOM 5048 OH2 TIP3 1181 -19.394 47.551 0.180 1.00 0.00 WAT1 ATOM 5049 H1 TIP3 1181 -20.190 46.980 0.245 1.00 0.00 WAT1 ATOM 5050 H2 TIP3 1181 -19.634 48.347 0.662 1.00 0.00 WAT1 ATOM 5051 OH2 TIP3 1182 -7.304 46.735 -4.004 1.00 0.00 WAT1 ATOM 5052 H1 TIP3 1182 -8.193 46.342 -4.170 1.00 0.00 WAT1 ATOM 5053 H2 TIP3 1182 -7.446 47.341 -3.269 1.00 0.00 WAT1 ATOM 5054 OH2 TIP3 1183 -19.616 45.558 -2.087 1.00 0.00 WAT1 ATOM 5055 H1 TIP3 1183 -19.097 46.303 -1.745 1.00 0.00 WAT1 ATOM 5056 H2 TIP3 1183 -19.010 44.807 -2.045 1.00 0.00 WAT1 ATOM 5057 OH2 TIP3 1184 -11.533 49.716 -3.361 1.00 0.00 WAT1 ATOM 5058 H1 TIP3 1184 -11.573 50.433 -2.725 1.00 0.00 WAT1 ATOM 5059 H2 TIP3 1184 -12.106 49.026 -2.980 1.00 0.00 WAT1 ATOM 5060 OH2 TIP3 1185 -15.221 43.645 0.494 1.00 0.00 WAT1 ATOM 5061 H1 TIP3 1185 -14.646 43.004 0.963 1.00 0.00 WAT1 ATOM 5062 H2 TIP3 1185 -16.110 43.459 0.838 1.00 0.00 WAT1 ATOM 5063 OH2 TIP3 1186 -14.186 43.999 -2.105 1.00 0.00 WAT1 ATOM 5064 H1 TIP3 1186 -14.017 43.107 -2.441 1.00 0.00 WAT1 ATOM 5065 H2 TIP3 1186 -14.558 43.853 -1.207 1.00 0.00 WAT1 ATOM 5066 OH2 TIP3 1187 -12.284 46.733 -7.271 1.00 0.00 WAT1 ATOM 5067 H1 TIP3 1187 -11.376 47.103 -7.267 1.00 0.00 WAT1 ATOM 5068 H2 TIP3 1187 -12.751 47.239 -6.567 1.00 0.00 WAT1 ATOM 5069 OH2 TIP3 1188 -13.425 47.877 -2.417 1.00 0.00 WAT1 ATOM 5070 H1 TIP3 1188 -14.284 47.429 -2.580 1.00 0.00 WAT1 ATOM 5071 H2 TIP3 1188 -13.400 47.991 -1.434 1.00 0.00 WAT1 ATOM 5072 OH2 TIP3 1189 -19.654 49.520 -6.862 1.00 0.00 WAT1 ATOM 5073 H1 TIP3 1189 -19.071 48.762 -6.779 1.00 0.00 WAT1 ATOM 5074 H2 TIP3 1189 -20.532 49.126 -7.049 1.00 0.00 WAT1 ATOM 5075 OH2 TIP3 1190 -9.829 47.869 -6.643 1.00 0.00 WAT1 ATOM 5076 H1 TIP3 1190 -8.890 47.715 -6.890 1.00 0.00 WAT1 ATOM 5077 H2 TIP3 1190 -9.826 48.747 -6.242 1.00 0.00 WAT1 ATOM 5078 OH2 TIP3 1191 -5.694 47.099 2.852 1.00 0.00 WAT1 ATOM 5079 H1 TIP3 1191 -5.043 47.482 3.446 1.00 0.00 WAT1 ATOM 5080 H2 TIP3 1191 -5.274 47.155 1.966 1.00 0.00 WAT1 ATOM 5081 OH2 TIP3 1192 -10.190 41.940 -5.559 1.00 0.00 WAT1 ATOM 5082 H1 TIP3 1192 -11.157 41.785 -5.519 1.00 0.00 WAT1 ATOM 5083 H2 TIP3 1192 -9.982 41.872 -6.497 1.00 0.00 WAT1 ATOM 5084 OH2 TIP3 1193 -14.281 42.585 -9.334 1.00 0.00 WAT1 ATOM 5085 H1 TIP3 1193 -14.204 43.101 -8.514 1.00 0.00 WAT1 ATOM 5086 H2 TIP3 1193 -13.404 42.667 -9.744 1.00 0.00 WAT1 ATOM 5087 OH2 TIP3 1194 -4.031 42.100 5.856 1.00 0.00 WAT1 ATOM 5088 H1 TIP3 1194 -4.607 42.047 5.050 1.00 0.00 WAT1 ATOM 5089 H2 TIP3 1194 -3.849 43.056 5.953 1.00 0.00 WAT1 ATOM 5090 OH2 TIP3 1195 -6.155 44.333 -3.291 1.00 0.00 WAT1 ATOM 5091 H1 TIP3 1195 -6.515 45.186 -3.603 1.00 0.00 WAT1 ATOM 5092 H2 TIP3 1195 -5.202 44.525 -3.117 1.00 0.00 WAT1 ATOM 5093 OH2 TIP3 1196 -15.566 46.225 -2.942 1.00 0.00 WAT1 ATOM 5094 H1 TIP3 1196 -15.108 45.399 -2.669 1.00 0.00 WAT1 ATOM 5095 H2 TIP3 1196 -16.139 46.448 -2.171 1.00 0.00 WAT1 ATOM 5096 OH2 TIP3 1197 -15.308 46.185 1.513 1.00 0.00 WAT1 ATOM 5097 H1 TIP3 1197 -15.118 45.334 1.067 1.00 0.00 WAT1 ATOM 5098 H2 TIP3 1197 -15.499 45.925 2.443 1.00 0.00 WAT1 ATOM 5099 OH2 TIP3 1198 -11.588 43.446 -9.671 1.00 0.00 WAT1 ATOM 5100 H1 TIP3 1198 -11.840 44.139 -9.043 1.00 0.00 WAT1 ATOM 5101 H2 TIP3 1198 -10.905 43.871 -10.238 1.00 0.00 WAT1 ATOM 5102 OH2 TIP3 1199 -18.269 42.849 2.741 1.00 0.00 WAT1 ATOM 5103 H1 TIP3 1199 -18.291 43.713 3.195 1.00 0.00 WAT1 ATOM 5104 H2 TIP3 1199 -18.882 42.956 1.993 1.00 0.00 WAT1 ATOM 5105 OH2 TIP3 1200 -19.085 44.398 -6.517 1.00 0.00 WAT1 ATOM 5106 H1 TIP3 1200 -19.779 45.014 -6.213 1.00 0.00 WAT1 ATOM 5107 H2 TIP3 1200 -18.281 44.686 -6.044 1.00 0.00 WAT1 ATOM 5108 OH2 TIP3 1201 -9.392 44.391 -11.068 1.00 0.00 WAT1 ATOM 5109 H1 TIP3 1201 -8.869 44.485 -11.868 1.00 0.00 WAT1 ATOM 5110 H2 TIP3 1201 -8.738 44.124 -10.383 1.00 0.00 WAT1 ATOM 5111 OH2 TIP3 1202 -7.678 41.760 5.449 1.00 0.00 WAT1 ATOM 5112 H1 TIP3 1202 -7.233 41.234 6.139 1.00 0.00 WAT1 ATOM 5113 H2 TIP3 1202 -6.964 41.930 4.782 1.00 0.00 WAT1 ATOM 5114 OH2 TIP3 1203 -21.604 43.475 4.059 1.00 0.00 WAT1 ATOM 5115 H1 TIP3 1203 -21.003 43.280 4.807 1.00 0.00 WAT1 ATOM 5116 H2 TIP3 1203 -22.338 42.854 4.172 1.00 0.00 WAT1 ATOM 5117 OH2 TIP3 1204 -13.236 44.201 -7.233 1.00 0.00 WAT1 ATOM 5118 H1 TIP3 1204 -12.574 43.721 -6.707 1.00 0.00 WAT1 ATOM 5119 H2 TIP3 1204 -12.918 45.137 -7.226 1.00 0.00 WAT1 ATOM 5120 OH2 TIP3 1205 -2.663 46.571 -1.351 1.00 0.00 WAT1 ATOM 5121 H1 TIP3 1205 -2.917 45.880 -2.001 1.00 0.00 WAT1 ATOM 5122 H2 TIP3 1205 -1.690 46.609 -1.407 1.00 0.00 WAT1 ATOM 5123 OH2 TIP3 1206 -11.240 44.253 7.043 1.00 0.00 WAT1 ATOM 5124 H1 TIP3 1206 -11.171 44.983 6.391 1.00 0.00 WAT1 ATOM 5125 H2 TIP3 1206 -10.317 44.101 7.323 1.00 0.00 WAT1 ATOM 5126 OH2 TIP3 1207 -16.989 46.685 -0.675 1.00 0.00 WAT1 ATOM 5127 H1 TIP3 1207 -17.814 47.099 -0.333 1.00 0.00 WAT1 ATOM 5128 H2 TIP3 1207 -16.430 46.580 0.122 1.00 0.00 WAT1 ATOM 5129 OH2 TIP3 1208 -18.621 44.988 4.483 1.00 0.00 WAT1 ATOM 5130 H1 TIP3 1208 -18.948 44.258 5.057 1.00 0.00 WAT1 ATOM 5131 H2 TIP3 1208 -19.238 45.709 4.646 1.00 0.00 WAT1 ATOM 5132 OH2 TIP3 1209 -11.895 42.611 4.878 1.00 0.00 WAT1 ATOM 5133 H1 TIP3 1209 -11.083 42.779 4.352 1.00 0.00 WAT1 ATOM 5134 H2 TIP3 1209 -11.877 43.304 5.569 1.00 0.00 WAT1 ATOM 5135 OH2 TIP3 1210 -4.145 44.626 0.891 1.00 0.00 WAT1 ATOM 5136 H1 TIP3 1210 -4.932 44.060 1.113 1.00 0.00 WAT1 ATOM 5137 H2 TIP3 1210 -4.530 45.484 0.644 1.00 0.00 WAT1 ATOM 5138 OH2 TIP3 1211 -11.977 45.585 -3.028 1.00 0.00 WAT1 ATOM 5139 H1 TIP3 1211 -12.652 44.950 -2.725 1.00 0.00 WAT1 ATOM 5140 H2 TIP3 1211 -12.342 46.454 -2.780 1.00 0.00 WAT1 ATOM 5141 OH2 TIP3 1212 -13.561 47.942 0.312 1.00 0.00 WAT1 ATOM 5142 H1 TIP3 1212 -14.234 47.369 0.744 1.00 0.00 WAT1 ATOM 5143 H2 TIP3 1212 -13.065 48.315 1.048 1.00 0.00 WAT1 ATOM 5144 OH2 TIP3 1213 -8.528 44.917 -7.070 1.00 0.00 WAT1 ATOM 5145 H1 TIP3 1213 -9.021 44.949 -6.231 1.00 0.00 WAT1 ATOM 5146 H2 TIP3 1213 -7.993 45.737 -7.063 1.00 0.00 WAT1 ATOM 5147 OH2 TIP3 1214 -20.782 42.529 -7.443 1.00 0.00 WAT1 ATOM 5148 H1 TIP3 1214 -20.189 43.228 -7.082 1.00 0.00 WAT1 ATOM 5149 H2 TIP3 1214 -21.624 42.993 -7.609 1.00 0.00 WAT1 ATOM 5150 OH2 TIP3 1215 -6.141 44.935 5.945 1.00 0.00 WAT1 ATOM 5151 H1 TIP3 1215 -5.182 45.049 6.038 1.00 0.00 WAT1 ATOM 5152 H2 TIP3 1215 -6.312 45.100 5.002 1.00 0.00 WAT1 ATOM 5153 OH2 TIP3 1216 -19.548 42.827 5.857 1.00 0.00 WAT1 ATOM 5154 H1 TIP3 1216 -19.214 42.044 5.379 1.00 0.00 WAT1 ATOM 5155 H2 TIP3 1216 -19.184 42.724 6.762 1.00 0.00 WAT1 ATOM 5156 OH2 TIP3 1217 -13.470 48.154 -5.278 1.00 0.00 WAT1 ATOM 5157 H1 TIP3 1217 -13.389 49.115 -5.279 1.00 0.00 WAT1 ATOM 5158 H2 TIP3 1217 -13.481 47.918 -4.334 1.00 0.00 WAT1 ATOM 5159 OH2 TIP3 1218 -15.942 44.746 3.794 1.00 0.00 WAT1 ATOM 5160 H1 TIP3 1218 -16.835 44.996 4.103 1.00 0.00 WAT1 ATOM 5161 H2 TIP3 1218 -15.771 43.891 4.235 1.00 0.00 WAT1 ATOM 5162 OH2 TIP3 1219 -15.215 42.806 -5.921 1.00 0.00 WAT1 ATOM 5163 H1 TIP3 1219 -14.575 43.380 -6.387 1.00 0.00 WAT1 ATOM 5164 H2 TIP3 1219 -15.883 43.425 -5.577 1.00 0.00 WAT1 ATOM 5165 OH2 TIP3 1220 -9.374 43.265 3.934 1.00 0.00 WAT1 ATOM 5166 H1 TIP3 1220 -8.661 43.845 3.583 1.00 0.00 WAT1 ATOM 5167 H2 TIP3 1220 -8.891 42.564 4.425 1.00 0.00 WAT1 ATOM 5168 OH2 TIP3 1221 -11.791 46.971 -12.256 1.00 0.00 WAT1 ATOM 5169 H1 TIP3 1221 -11.786 47.088 -13.229 1.00 0.00 WAT1 ATOM 5170 H2 TIP3 1221 -10.960 46.519 -12.066 1.00 0.00 WAT1 ATOM 5171 OH2 TIP3 1222 -13.835 40.842 4.005 1.00 0.00 WAT1 ATOM 5172 H1 TIP3 1222 -13.827 41.018 3.046 1.00 0.00 WAT1 ATOM 5173 H2 TIP3 1222 -13.122 41.422 4.358 1.00 0.00 WAT1 ATOM 5174 OH2 TIP3 1223 -10.422 45.699 4.848 1.00 0.00 WAT1 ATOM 5175 H1 TIP3 1223 -9.833 46.390 4.532 1.00 0.00 WAT1 ATOM 5176 H2 TIP3 1223 -10.063 44.880 4.457 1.00 0.00 WAT1 ATOM 5177 OH2 TIP3 1224 -7.975 41.953 9.165 1.00 0.00 WAT1 ATOM 5178 H1 TIP3 1224 -7.369 42.544 9.666 1.00 0.00 WAT1 ATOM 5179 H2 TIP3 1224 -8.385 42.545 8.503 1.00 0.00 WAT1 ATOM 5180 OH2 TIP3 1225 -7.430 45.038 3.186 1.00 0.00 WAT1 ATOM 5181 H1 TIP3 1225 -6.924 45.870 3.040 1.00 0.00 WAT1 ATOM 5182 H2 TIP3 1225 -6.937 44.361 2.656 1.00 0.00 WAT1 ATOM 5183 OH2 TIP3 1226 -15.574 42.750 7.683 1.00 0.00 WAT1 ATOM 5184 H1 TIP3 1226 -15.673 42.653 6.714 1.00 0.00 WAT1 ATOM 5185 H2 TIP3 1226 -16.485 42.671 8.023 1.00 0.00 WAT1 ATOM 5186 OH2 TIP3 1227 -13.910 38.758 6.040 1.00 0.00 WAT1 ATOM 5187 H1 TIP3 1227 -13.401 39.435 6.541 1.00 0.00 WAT1 ATOM 5188 H2 TIP3 1227 -14.046 39.172 5.166 1.00 0.00 WAT1 ATOM 5189 OH2 TIP3 1228 -10.742 38.592 6.638 1.00 0.00 WAT1 ATOM 5190 H1 TIP3 1228 -9.820 38.823 6.855 1.00 0.00 WAT1 ATOM 5191 H2 TIP3 1228 -11.226 39.447 6.704 1.00 0.00 WAT1 ATOM 5192 OH2 TIP3 1229 -17.334 50.508 -10.304 1.00 0.00 WAT1 ATOM 5193 H1 TIP3 1229 -17.073 50.643 -9.374 1.00 0.00 WAT1 ATOM 5194 H2 TIP3 1229 -17.299 51.410 -10.688 1.00 0.00 WAT1 ATOM 5195 OH2 TIP3 1230 -4.503 46.697 -7.531 1.00 0.00 WAT1 ATOM 5196 H1 TIP3 1230 -4.085 46.344 -6.712 1.00 0.00 WAT1 ATOM 5197 H2 TIP3 1230 -3.739 46.877 -8.125 1.00 0.00 WAT1 ATOM 5198 OH2 TIP3 1231 -1.498 44.081 0.798 1.00 0.00 WAT1 ATOM 5199 H1 TIP3 1231 -2.465 44.285 0.774 1.00 0.00 WAT1 ATOM 5200 H2 TIP3 1231 -1.236 44.059 -0.142 1.00 0.00 WAT1 ATOM 5201 OH2 TIP3 1232 -3.237 45.297 -5.595 1.00 0.00 WAT1 ATOM 5202 H1 TIP3 1232 -3.376 45.142 -4.629 1.00 0.00 WAT1 ATOM 5203 H2 TIP3 1232 -3.300 44.413 -5.987 1.00 0.00 WAT1 ATOM 5204 OH2 TIP3 1233 -7.524 43.597 -9.195 1.00 0.00 WAT1 ATOM 5205 H1 TIP3 1233 -6.586 43.886 -9.131 1.00 0.00 WAT1 ATOM 5206 H2 TIP3 1233 -7.950 43.990 -8.392 1.00 0.00 WAT1 ATOM 5207 OH2 TIP3 1234 -21.566 45.835 -0.046 1.00 0.00 WAT1 ATOM 5208 H1 TIP3 1234 -22.504 45.556 -0.172 1.00 0.00 WAT1 ATOM 5209 H2 TIP3 1234 -21.146 45.649 -0.907 1.00 0.00 WAT1 ATOM 5210 OH2 TIP3 1235 -3.980 44.263 3.623 1.00 0.00 WAT1 ATOM 5211 H1 TIP3 1235 -4.636 43.528 3.563 1.00 0.00 WAT1 ATOM 5212 H2 TIP3 1235 -3.796 44.486 2.691 1.00 0.00 WAT1 ATOM 5213 OH2 TIP3 1236 -4.025 45.014 8.659 1.00 0.00 WAT1 ATOM 5214 H1 TIP3 1236 -3.614 44.990 7.774 1.00 0.00 WAT1 ATOM 5215 H2 TIP3 1236 -3.381 44.562 9.239 1.00 0.00 WAT1 ATOM 5216 OH2 TIP3 1237 -6.782 36.891 -8.346 1.00 0.00 WAT1 ATOM 5217 H1 TIP3 1237 -6.186 36.526 -7.646 1.00 0.00 WAT1 ATOM 5218 H2 TIP3 1237 -6.322 37.689 -8.660 1.00 0.00 WAT1 ATOM 5219 OH2 TIP3 1238 -20.767 43.662 1.478 1.00 0.00 WAT1 ATOM 5220 H1 TIP3 1238 -21.014 44.521 1.072 1.00 0.00 WAT1 ATOM 5221 H2 TIP3 1238 -21.090 43.735 2.409 1.00 0.00 WAT1 ATOM 5222 OH2 TIP3 1239 -5.687 39.209 -9.792 1.00 0.00 WAT1 ATOM 5223 H1 TIP3 1239 -5.162 38.675 -10.403 1.00 0.00 WAT1 ATOM 5224 H2 TIP3 1239 -5.098 39.972 -9.572 1.00 0.00 WAT1 ATOM 5225 OH2 TIP3 1240 -16.453 35.435 9.425 1.00 0.00 WAT1 ATOM 5226 H1 TIP3 1240 -16.468 36.262 8.902 1.00 0.00 WAT1 ATOM 5227 H2 TIP3 1240 -15.522 35.366 9.733 1.00 0.00 WAT1 ATOM 5228 OH2 TIP3 1241 -9.250 39.533 9.824 1.00 0.00 WAT1 ATOM 5229 H1 TIP3 1241 -8.890 40.443 9.778 1.00 0.00 WAT1 ATOM 5230 H2 TIP3 1241 -8.851 39.084 9.054 1.00 0.00 WAT1 ATOM 5231 OH2 TIP3 1242 -5.844 36.720 8.708 1.00 0.00 WAT1 ATOM 5232 H1 TIP3 1242 -5.691 35.852 9.153 1.00 0.00 WAT1 ATOM 5233 H2 TIP3 1242 -6.641 37.062 9.130 1.00 0.00 WAT1 ATOM 5234 OH2 TIP3 1243 -8.372 43.819 7.116 1.00 0.00 WAT1 ATOM 5235 H1 TIP3 1243 -7.663 44.427 6.804 1.00 0.00 WAT1 ATOM 5236 H2 TIP3 1243 -8.331 43.070 6.486 1.00 0.00 WAT1 ATOM 5237 OH2 TIP3 1244 -13.699 38.288 9.374 1.00 0.00 WAT1 ATOM 5238 H1 TIP3 1244 -14.625 38.250 9.067 1.00 0.00 WAT1 ATOM 5239 H2 TIP3 1244 -13.629 39.157 9.825 1.00 0.00 WAT1 ATOM 5240 OH2 TIP3 1245 -20.512 41.139 9.450 1.00 0.00 WAT1 ATOM 5241 H1 TIP3 1245 -21.094 41.320 10.191 1.00 0.00 WAT1 ATOM 5242 H2 TIP3 1245 -20.721 40.213 9.201 1.00 0.00 WAT1 ATOM 5243 OH2 TIP3 1246 -13.253 40.712 10.558 1.00 0.00 WAT1 ATOM 5244 H1 TIP3 1246 -13.057 41.399 9.878 1.00 0.00 WAT1 ATOM 5245 H2 TIP3 1246 -13.631 41.210 11.291 1.00 0.00 WAT1 ATOM 5246 OH2 TIP3 1247 -13.029 42.710 8.664 1.00 0.00 WAT1 ATOM 5247 H1 TIP3 1247 -13.959 42.870 8.363 1.00 0.00 WAT1 ATOM 5248 H2 TIP3 1247 -12.512 43.421 8.231 1.00 0.00 WAT1 ATOM 5249 OH2 TIP3 1248 -8.188 38.264 7.612 1.00 0.00 WAT1 ATOM 5250 H1 TIP3 1248 -8.589 37.380 7.776 1.00 0.00 WAT1 ATOM 5251 H2 TIP3 1248 -7.505 38.098 6.954 1.00 0.00 WAT1 ATOM 5252 OH2 TIP3 1249 -6.029 40.897 7.514 1.00 0.00 WAT1 ATOM 5253 H1 TIP3 1249 -5.451 41.664 7.340 1.00 0.00 WAT1 ATOM 5254 H2 TIP3 1249 -6.660 41.218 8.195 1.00 0.00 WAT1 ATOM 5255 OH2 TIP3 1250 -9.973 36.989 13.039 1.00 0.00 WAT1 ATOM 5256 H1 TIP3 1250 -10.411 37.839 12.826 1.00 0.00 WAT1 ATOM 5257 H2 TIP3 1250 -9.478 36.769 12.225 1.00 0.00 WAT1 ATOM 5258 OH2 TIP3 1251 -11.327 38.883 11.486 1.00 0.00 WAT1 ATOM 5259 H1 TIP3 1251 -11.990 39.527 11.165 1.00 0.00 WAT1 ATOM 5260 H2 TIP3 1251 -10.535 39.058 10.926 1.00 0.00 WAT1 ATOM 5261 OH2 TIP3 1252 -13.526 33.992 13.216 1.00 0.00 WAT1 ATOM 5262 H1 TIP3 1252 -14.295 33.788 12.672 1.00 0.00 WAT1 ATOM 5263 H2 TIP3 1252 -13.242 34.875 12.911 1.00 0.00 WAT1 ATOM 5264 OH2 TIP3 1253 -12.504 36.335 12.131 1.00 0.00 WAT1 ATOM 5265 H1 TIP3 1253 -11.629 36.270 12.563 1.00 0.00 WAT1 ATOM 5266 H2 TIP3 1253 -12.542 37.260 11.820 1.00 0.00 WAT1 ATOM 5267 OH2 TIP3 1254 -18.252 41.945 8.142 1.00 0.00 WAT1 ATOM 5268 H1 TIP3 1254 -19.034 41.774 8.716 1.00 0.00 WAT1 ATOM 5269 H2 TIP3 1254 -17.965 41.052 7.860 1.00 0.00 WAT1 ATOM 5270 OH2 TIP3 1255 -12.275 40.793 6.882 1.00 0.00 WAT1 ATOM 5271 H1 TIP3 1255 -12.074 41.414 6.150 1.00 0.00 WAT1 ATOM 5272 H2 TIP3 1255 -12.546 41.379 7.623 1.00 0.00 WAT1 ATOM 5273 OH2 TIP3 1256 -6.366 44.070 9.602 1.00 0.00 WAT1 ATOM 5274 H1 TIP3 1256 -6.965 44.522 8.998 1.00 0.00 WAT1 ATOM 5275 H2 TIP3 1256 -5.484 44.455 9.395 1.00 0.00 WAT1 ATOM 5276 OH2 TIP3 1257 -3.342 38.938 9.921 1.00 0.00 WAT1 ATOM 5277 H1 TIP3 1257 -3.143 39.850 9.612 1.00 0.00 WAT1 ATOM 5278 H2 TIP3 1257 -4.287 38.838 9.767 1.00 0.00 WAT1 ATOM 5279 OH2 TIP3 1258 -7.343 36.211 13.711 1.00 0.00 WAT1 ATOM 5280 H1 TIP3 1258 -7.345 35.264 13.957 1.00 0.00 WAT1 ATOM 5281 H2 TIP3 1258 -8.277 36.486 13.799 1.00 0.00 WAT1 ATOM 5282 OH2 TIP3 1259 -2.630 41.424 9.047 1.00 0.00 WAT1 ATOM 5283 H1 TIP3 1259 -1.681 41.309 9.246 1.00 0.00 WAT1 ATOM 5284 H2 TIP3 1259 -2.879 42.231 9.547 1.00 0.00 WAT1 ATOM 5285 OH2 TIP3 1260 -16.637 32.695 10.397 1.00 0.00 WAT1 ATOM 5286 H1 TIP3 1260 -16.680 33.627 10.114 1.00 0.00 WAT1 ATOM 5287 H2 TIP3 1260 -17.551 32.357 10.246 1.00 0.00 WAT1 ATOM 5288 OH2 TIP3 1261 -13.962 32.395 10.620 1.00 0.00 WAT1 ATOM 5289 H1 TIP3 1261 -14.946 32.336 10.578 1.00 0.00 WAT1 ATOM 5290 H2 TIP3 1261 -13.689 31.546 10.992 1.00 0.00 WAT1 ATOM 5291 OH2 TIP3 1262 -8.350 36.067 11.024 1.00 0.00 WAT1 ATOM 5292 H1 TIP3 1262 -7.599 36.263 11.612 1.00 0.00 WAT1 ATOM 5293 H2 TIP3 1262 -8.608 35.146 11.268 1.00 0.00 WAT1 ATOM 5294 OH2 TIP3 1263 -15.899 37.797 7.761 1.00 0.00 WAT1 ATOM 5295 H1 TIP3 1263 -15.251 38.079 7.085 1.00 0.00 WAT1 ATOM 5296 H2 TIP3 1263 -16.675 38.381 7.602 1.00 0.00 WAT1 ATOM 5297 OH2 TIP3 1264 -13.809 35.075 10.056 1.00 0.00 WAT1 ATOM 5298 H1 TIP3 1264 -13.725 34.116 10.260 1.00 0.00 WAT1 ATOM 5299 H2 TIP3 1264 -13.338 35.519 10.793 1.00 0.00 WAT1 ATOM 5300 OH2 TIP3 1265 -1.082 -22.006 8.579 1.00 0.00 WAT1 ATOM 5301 H1 TIP3 1265 -0.670 -22.795 8.997 1.00 0.00 WAT1 ATOM 5302 H2 TIP3 1265 -1.043 -22.191 7.636 1.00 0.00 WAT1 ATOM 5303 OH2 TIP3 1266 1.118 -29.024 19.684 1.00 0.00 WAT1 ATOM 5304 H1 TIP3 1266 0.617 -29.755 19.268 1.00 0.00 WAT1 ATOM 5305 H2 TIP3 1266 1.876 -28.874 19.069 1.00 0.00 WAT1 ATOM 5306 OH2 TIP3 1267 0.870 -24.133 19.619 1.00 0.00 WAT1 ATOM 5307 H1 TIP3 1267 1.176 -24.833 18.991 1.00 0.00 WAT1 ATOM 5308 H2 TIP3 1267 1.013 -24.529 20.504 1.00 0.00 WAT1 ATOM 5309 OH2 TIP3 1268 -0.026 -29.832 14.945 1.00 0.00 WAT1 ATOM 5310 H1 TIP3 1268 -0.066 -30.228 15.824 1.00 0.00 WAT1 ATOM 5311 H2 TIP3 1268 -0.547 -30.442 14.382 1.00 0.00 WAT1 ATOM 5312 OH2 TIP3 1269 0.587 -27.799 13.267 1.00 0.00 WAT1 ATOM 5313 H1 TIP3 1269 0.757 -27.032 13.849 1.00 0.00 WAT1 ATOM 5314 H2 TIP3 1269 0.325 -28.518 13.892 1.00 0.00 WAT1 ATOM 5315 OH2 TIP3 1270 4.669 -27.262 20.136 1.00 0.00 WAT1 ATOM 5316 H1 TIP3 1270 3.928 -27.314 20.771 1.00 0.00 WAT1 ATOM 5317 H2 TIP3 1270 5.386 -26.869 20.640 1.00 0.00 WAT1 ATOM 5318 OH2 TIP3 1271 0.820 -25.502 22.008 1.00 0.00 WAT1 ATOM 5319 H1 TIP3 1271 0.837 -24.858 22.752 1.00 0.00 WAT1 ATOM 5320 H2 TIP3 1271 1.550 -26.122 22.207 1.00 0.00 WAT1 ATOM 5321 OH2 TIP3 1272 3.254 -27.831 15.377 1.00 0.00 WAT1 ATOM 5322 H1 TIP3 1272 2.511 -27.219 15.248 1.00 0.00 WAT1 ATOM 5323 H2 TIP3 1272 3.083 -28.545 14.755 1.00 0.00 WAT1 ATOM 5324 OH2 TIP3 1273 3.171 -28.330 18.112 1.00 0.00 WAT1 ATOM 5325 H1 TIP3 1273 3.496 -28.284 17.188 1.00 0.00 WAT1 ATOM 5326 H2 TIP3 1273 3.932 -28.016 18.652 1.00 0.00 WAT1 ATOM 5327 OH2 TIP3 1274 2.451 -27.783 21.767 1.00 0.00 WAT1 ATOM 5328 H1 TIP3 1274 2.576 -28.492 22.407 1.00 0.00 WAT1 ATOM 5329 H2 TIP3 1274 1.971 -28.213 21.024 1.00 0.00 WAT1 ATOM 5330 OH2 TIP3 1275 2.428 -18.279 22.615 1.00 0.00 WAT1 ATOM 5331 H1 TIP3 1275 2.689 -18.946 21.953 1.00 0.00 WAT1 ATOM 5332 H2 TIP3 1275 1.547 -17.970 22.306 1.00 0.00 WAT1 ATOM 5333 OH2 TIP3 1276 0.256 -28.032 8.625 1.00 0.00 WAT1 ATOM 5334 H1 TIP3 1276 0.369 -28.878 8.179 1.00 0.00 WAT1 ATOM 5335 H2 TIP3 1276 -0.721 -27.975 8.786 1.00 0.00 WAT1 ATOM 5336 OH2 TIP3 1277 3.022 -24.083 14.438 1.00 0.00 WAT1 ATOM 5337 H1 TIP3 1277 3.551 -24.071 15.248 1.00 0.00 WAT1 ATOM 5338 H2 TIP3 1277 3.674 -24.150 13.728 1.00 0.00 WAT1 ATOM 5339 OH2 TIP3 1278 -1.351 -23.008 22.048 1.00 0.00 WAT1 ATOM 5340 H1 TIP3 1278 -2.222 -22.860 22.460 1.00 0.00 WAT1 ATOM 5341 H2 TIP3 1278 -0.736 -23.100 22.806 1.00 0.00 WAT1 ATOM 5342 OH2 TIP3 1279 -0.640 -30.929 18.704 1.00 0.00 WAT1 ATOM 5343 H1 TIP3 1279 -1.314 -30.399 19.186 1.00 0.00 WAT1 ATOM 5344 H2 TIP3 1279 -0.599 -31.759 19.191 1.00 0.00 WAT1 ATOM 5345 OH2 TIP3 1280 -1.346 -31.307 13.019 1.00 0.00 WAT1 ATOM 5346 H1 TIP3 1280 -1.453 -32.183 12.631 1.00 0.00 WAT1 ATOM 5347 H2 TIP3 1280 -0.741 -30.839 12.393 1.00 0.00 WAT1 ATOM 5348 OH2 TIP3 1281 0.465 -29.933 11.517 1.00 0.00 WAT1 ATOM 5349 H1 TIP3 1281 1.090 -29.782 10.803 1.00 0.00 WAT1 ATOM 5350 H2 TIP3 1281 0.563 -29.148 12.094 1.00 0.00 WAT1 ATOM 5351 OH2 TIP3 1282 0.707 -23.386 23.891 1.00 0.00 WAT1 ATOM 5352 H1 TIP3 1282 1.239 -22.563 23.788 1.00 0.00 WAT1 ATOM 5353 H2 TIP3 1282 0.549 -23.446 24.859 1.00 0.00 WAT1 ATOM 5354 OH2 TIP3 1283 1.485 -26.159 17.949 1.00 0.00 WAT1 ATOM 5355 H1 TIP3 1283 1.314 -26.136 16.991 1.00 0.00 WAT1 ATOM 5356 H2 TIP3 1283 2.064 -26.940 18.070 1.00 0.00 WAT1 ATOM 5357 OH2 TIP3 1284 -0.700 -27.144 20.389 1.00 0.00 WAT1 ATOM 5358 H1 TIP3 1284 -0.204 -26.653 21.079 1.00 0.00 WAT1 ATOM 5359 H2 TIP3 1284 -0.044 -27.787 20.036 1.00 0.00 WAT1 ATOM 5360 OH2 TIP3 1285 -0.355 -26.513 11.008 1.00 0.00 WAT1 ATOM 5361 H1 TIP3 1285 -0.071 -26.959 11.832 1.00 0.00 WAT1 ATOM 5362 H2 TIP3 1285 0.011 -27.069 10.297 1.00 0.00 WAT1 ATOM 5363 OH2 TIP3 1286 0.132 -24.089 9.864 1.00 0.00 WAT1 ATOM 5364 H1 TIP3 1286 0.765 -24.479 9.217 1.00 0.00 WAT1 ATOM 5365 H2 TIP3 1286 -0.207 -24.870 10.361 1.00 0.00 WAT1 ATOM 5366 OH2 TIP3 1287 1.565 -25.629 8.164 1.00 0.00 WAT1 ATOM 5367 H1 TIP3 1287 2.187 -25.770 7.445 1.00 0.00 WAT1 ATOM 5368 H2 TIP3 1287 1.122 -26.498 8.274 1.00 0.00 WAT1 ATOM 5369 OH2 TIP3 1288 1.124 -25.883 15.167 1.00 0.00 WAT1 ATOM 5370 H1 TIP3 1288 1.717 -25.159 14.865 1.00 0.00 WAT1 ATOM 5371 H2 TIP3 1288 0.256 -25.441 15.298 1.00 0.00 WAT1 ATOM 5372 OH2 TIP3 1289 -0.356 -21.342 16.566 1.00 0.00 WAT1 ATOM 5373 H1 TIP3 1289 -0.762 -20.526 16.203 1.00 0.00 WAT1 ATOM 5374 H2 TIP3 1289 0.092 -21.753 15.787 1.00 0.00 WAT1 ATOM 5375 OH2 TIP3 1290 -4.987 -22.399 25.704 1.00 0.00 WAT1 ATOM 5376 H1 TIP3 1290 -4.107 -22.570 26.111 1.00 0.00 WAT1 ATOM 5377 H2 TIP3 1290 -5.080 -21.424 25.740 1.00 0.00 WAT1 ATOM 5378 OH2 TIP3 1291 -1.615 -26.332 28.364 1.00 0.00 WAT1 ATOM 5379 H1 TIP3 1291 -2.168 -26.630 29.091 1.00 0.00 WAT1 ATOM 5380 H2 TIP3 1291 -2.214 -26.341 27.586 1.00 0.00 WAT1 ATOM 5381 OH2 TIP3 1292 -3.409 -26.292 26.253 1.00 0.00 WAT1 ATOM 5382 H1 TIP3 1292 -3.989 -27.064 26.104 1.00 0.00 WAT1 ATOM 5383 H2 TIP3 1292 -3.648 -25.673 25.532 1.00 0.00 WAT1 ATOM 5384 OH2 TIP3 1293 0.125 -22.083 11.725 1.00 0.00 WAT1 ATOM 5385 H1 TIP3 1293 0.100 -22.849 11.108 1.00 0.00 WAT1 ATOM 5386 H2 TIP3 1293 0.628 -21.414 11.248 1.00 0.00 WAT1 ATOM 5387 OH2 TIP3 1294 -1.965 -19.239 15.569 1.00 0.00 WAT1 ATOM 5388 H1 TIP3 1294 -1.929 -18.896 14.644 1.00 0.00 WAT1 ATOM 5389 H2 TIP3 1294 -2.885 -19.519 15.677 1.00 0.00 WAT1 ATOM 5390 OH2 TIP3 1295 -3.281 -30.310 17.480 1.00 0.00 WAT1 ATOM 5391 H1 TIP3 1295 -2.435 -30.734 17.285 1.00 0.00 WAT1 ATOM 5392 H2 TIP3 1295 -3.161 -29.947 18.384 1.00 0.00 WAT1 ATOM 5393 OH2 TIP3 1296 -2.461 -23.300 26.562 1.00 0.00 WAT1 ATOM 5394 H1 TIP3 1296 -1.497 -23.155 26.494 1.00 0.00 WAT1 ATOM 5395 H2 TIP3 1296 -2.539 -24.186 26.936 1.00 0.00 WAT1 ATOM 5396 OH2 TIP3 1297 1.922 -20.934 23.571 1.00 0.00 WAT1 ATOM 5397 H1 TIP3 1297 2.201 -20.948 22.632 1.00 0.00 WAT1 ATOM 5398 H2 TIP3 1297 2.282 -20.101 23.909 1.00 0.00 WAT1 ATOM 5399 OH2 TIP3 1298 -2.546 -16.196 24.735 1.00 0.00 WAT1 ATOM 5400 H1 TIP3 1298 -3.078 -15.366 24.819 1.00 0.00 WAT1 ATOM 5401 H2 TIP3 1298 -1.668 -15.890 24.471 1.00 0.00 WAT1 ATOM 5402 OH2 TIP3 1299 2.622 -20.571 20.921 1.00 0.00 WAT1 ATOM 5403 H1 TIP3 1299 1.882 -20.865 20.341 1.00 0.00 WAT1 ATOM 5404 H2 TIP3 1299 3.413 -20.756 20.403 1.00 0.00 WAT1 ATOM 5405 OH2 TIP3 1300 -1.074 -19.658 20.159 1.00 0.00 WAT1 ATOM 5406 H1 TIP3 1300 -1.267 -20.019 21.043 1.00 0.00 WAT1 ATOM 5407 H2 TIP3 1300 -0.435 -20.299 19.774 1.00 0.00 WAT1 ATOM 5408 OH2 TIP3 1301 0.715 -21.467 19.130 1.00 0.00 WAT1 ATOM 5409 H1 TIP3 1301 0.806 -22.438 19.268 1.00 0.00 WAT1 ATOM 5410 H2 TIP3 1301 0.443 -21.384 18.187 1.00 0.00 WAT1 ATOM 5411 OH2 TIP3 1302 0.905 -22.464 14.401 1.00 0.00 WAT1 ATOM 5412 H1 TIP3 1302 0.633 -22.346 13.469 1.00 0.00 WAT1 ATOM 5413 H2 TIP3 1302 1.702 -23.035 14.349 1.00 0.00 WAT1 ATOM 5414 OH2 TIP3 1303 0.948 -25.468 28.070 1.00 0.00 WAT1 ATOM 5415 H1 TIP3 1303 1.485 -26.053 28.609 1.00 0.00 WAT1 ATOM 5416 H2 TIP3 1303 0.029 -25.803 28.192 1.00 0.00 WAT1 ATOM 5417 OH2 TIP3 1304 0.619 -4.315 14.690 1.00 0.00 WAT1 ATOM 5418 H1 TIP3 1304 0.335 -3.473 15.070 1.00 0.00 WAT1 ATOM 5419 H2 TIP3 1304 0.982 -4.810 15.455 1.00 0.00 WAT1 ATOM 5420 OH2 TIP3 1305 -5.225 -9.468 15.601 1.00 0.00 WAT1 ATOM 5421 H1 TIP3 1305 -5.203 -8.496 15.702 1.00 0.00 WAT1 ATOM 5422 H2 TIP3 1305 -6.036 -9.629 15.067 1.00 0.00 WAT1 ATOM 5423 OH2 TIP3 1306 1.467 -8.567 21.814 1.00 0.00 WAT1 ATOM 5424 H1 TIP3 1306 1.798 -8.973 22.647 1.00 0.00 WAT1 ATOM 5425 H2 TIP3 1306 1.131 -7.693 22.094 1.00 0.00 WAT1 ATOM 5426 OH2 TIP3 1307 2.380 -9.931 16.215 1.00 0.00 WAT1 ATOM 5427 H1 TIP3 1307 3.162 -10.375 16.588 1.00 0.00 WAT1 ATOM 5428 H2 TIP3 1307 2.404 -9.041 16.595 1.00 0.00 WAT1 ATOM 5429 OH2 TIP3 1308 -0.029 -17.586 21.662 1.00 0.00 WAT1 ATOM 5430 H1 TIP3 1308 -0.069 -16.669 21.299 1.00 0.00 WAT1 ATOM 5431 H2 TIP3 1308 -0.336 -18.148 20.921 1.00 0.00 WAT1 ATOM 5432 OH2 TIP3 1309 2.472 -3.801 19.257 1.00 0.00 WAT1 ATOM 5433 H1 TIP3 1309 2.487 -2.996 18.724 1.00 0.00 WAT1 ATOM 5434 H2 TIP3 1309 3.187 -3.660 19.923 1.00 0.00 WAT1 ATOM 5435 OH2 TIP3 1310 -0.149 -15.172 20.468 1.00 0.00 WAT1 ATOM 5436 H1 TIP3 1310 0.165 -14.386 20.960 1.00 0.00 WAT1 ATOM 5437 H2 TIP3 1310 0.071 -14.976 19.538 1.00 0.00 WAT1 ATOM 5438 OH2 TIP3 1311 0.192 -6.225 22.728 1.00 0.00 WAT1 ATOM 5439 H1 TIP3 1311 0.165 -5.724 21.878 1.00 0.00 WAT1 ATOM 5440 H2 TIP3 1311 0.175 -5.537 23.404 1.00 0.00 WAT1 ATOM 5441 OH2 TIP3 1312 -0.223 -5.629 12.476 1.00 0.00 WAT1 ATOM 5442 H1 TIP3 1312 0.083 -5.160 13.290 1.00 0.00 WAT1 ATOM 5443 H2 TIP3 1312 0.567 -5.691 11.931 1.00 0.00 WAT1 ATOM 5444 OH2 TIP3 1313 0.939 -7.868 17.691 1.00 0.00 WAT1 ATOM 5445 H1 TIP3 1313 0.254 -8.202 17.066 1.00 0.00 WAT1 ATOM 5446 H2 TIP3 1313 1.099 -8.624 18.299 1.00 0.00 WAT1 ATOM 5447 OH2 TIP3 1314 1.363 -5.216 17.177 1.00 0.00 WAT1 ATOM 5448 H1 TIP3 1314 1.912 -4.924 17.932 1.00 0.00 WAT1 ATOM 5449 H2 TIP3 1314 1.301 -6.190 17.289 1.00 0.00 WAT1 ATOM 5450 OH2 TIP3 1315 1.301 -9.925 19.454 1.00 0.00 WAT1 ATOM 5451 H1 TIP3 1315 1.872 -10.722 19.428 1.00 0.00 WAT1 ATOM 5452 H2 TIP3 1315 1.579 -9.453 20.274 1.00 0.00 WAT1 ATOM 5453 OH2 TIP3 1316 4.329 -3.171 21.145 1.00 0.00 WAT1 ATOM 5454 H1 TIP3 1316 4.086 -2.922 22.043 1.00 0.00 WAT1 ATOM 5455 H2 TIP3 1316 5.293 -3.187 21.154 1.00 0.00 WAT1 ATOM 5456 OH2 TIP3 1317 -1.670 -3.063 19.366 1.00 0.00 WAT1 ATOM 5457 H1 TIP3 1317 -2.397 -3.459 18.854 1.00 0.00 WAT1 ATOM 5458 H2 TIP3 1317 -2.124 -2.473 20.011 1.00 0.00 WAT1 ATOM 5459 OH2 TIP3 1318 -1.892 -13.039 15.679 1.00 0.00 WAT1 ATOM 5460 H1 TIP3 1318 -0.977 -12.668 15.689 1.00 0.00 WAT1 ATOM 5461 H2 TIP3 1318 -2.439 -12.308 15.309 1.00 0.00 WAT1 ATOM 5462 OH2 TIP3 1319 0.671 -13.059 22.096 1.00 0.00 WAT1 ATOM 5463 H1 TIP3 1319 0.823 -13.458 22.979 1.00 0.00 WAT1 ATOM 5464 H2 TIP3 1319 1.443 -12.466 21.971 1.00 0.00 WAT1 ATOM 5465 OH2 TIP3 1320 4.196 -11.959 17.003 1.00 0.00 WAT1 ATOM 5466 H1 TIP3 1320 5.071 -12.053 16.607 1.00 0.00 WAT1 ATOM 5467 H2 TIP3 1320 3.667 -12.681 16.595 1.00 0.00 WAT1 ATOM 5468 OH2 TIP3 1321 -3.396 -13.278 12.599 1.00 0.00 WAT1 ATOM 5469 H1 TIP3 1321 -3.483 -12.469 12.067 1.00 0.00 WAT1 ATOM 5470 H2 TIP3 1321 -3.530 -12.975 13.508 1.00 0.00 WAT1 ATOM 5471 OH2 TIP3 1322 0.599 -11.968 15.835 1.00 0.00 WAT1 ATOM 5472 H1 TIP3 1322 1.093 -11.118 15.883 1.00 0.00 WAT1 ATOM 5473 H2 TIP3 1322 1.295 -12.646 15.871 1.00 0.00 WAT1 ATOM 5474 OH2 TIP3 1323 2.443 -9.761 24.061 1.00 0.00 WAT1 ATOM 5475 H1 TIP3 1323 2.752 -9.691 24.969 1.00 0.00 WAT1 ATOM 5476 H2 TIP3 1323 2.517 -10.707 23.854 1.00 0.00 WAT1 ATOM 5477 OH2 TIP3 1324 3.233 -12.717 26.300 1.00 0.00 WAT1 ATOM 5478 H1 TIP3 1324 3.119 -12.662 27.254 1.00 0.00 WAT1 ATOM 5479 H2 TIP3 1324 4.185 -12.800 26.178 1.00 0.00 WAT1 ATOM 5480 OH2 TIP3 1325 -2.016 -12.429 22.334 1.00 0.00 WAT1 ATOM 5481 H1 TIP3 1325 -1.924 -12.576 23.297 1.00 0.00 WAT1 ATOM 5482 H2 TIP3 1325 -1.116 -12.591 21.986 1.00 0.00 WAT1 ATOM 5483 OH2 TIP3 1326 -1.150 -6.358 18.746 1.00 0.00 WAT1 ATOM 5484 H1 TIP3 1326 -0.443 -6.857 18.294 1.00 0.00 WAT1 ATOM 5485 H2 TIP3 1326 -0.675 -5.832 19.421 1.00 0.00 WAT1 ATOM 5486 OH2 TIP3 1327 0.214 -14.698 17.712 1.00 0.00 WAT1 ATOM 5487 H1 TIP3 1327 -0.452 -14.001 17.611 1.00 0.00 WAT1 ATOM 5488 H2 TIP3 1327 -0.264 -15.523 17.464 1.00 0.00 WAT1 ATOM 5489 OH2 TIP3 1328 -3.284 -6.856 15.317 1.00 0.00 WAT1 ATOM 5490 H1 TIP3 1328 -4.259 -6.793 15.408 1.00 0.00 WAT1 ATOM 5491 H2 TIP3 1328 -3.107 -6.512 14.412 1.00 0.00 WAT1 ATOM 5492 OH2 TIP3 1329 -3.467 -2.614 27.825 1.00 0.00 WAT1 ATOM 5493 H1 TIP3 1329 -3.087 -2.532 28.711 1.00 0.00 WAT1 ATOM 5494 H2 TIP3 1329 -2.755 -2.332 27.234 1.00 0.00 WAT1 ATOM 5495 OH2 TIP3 1330 -1.226 -8.074 24.417 1.00 0.00 WAT1 ATOM 5496 H1 TIP3 1330 -1.866 -7.362 24.639 1.00 0.00 WAT1 ATOM 5497 H2 TIP3 1330 -0.525 -7.616 23.922 1.00 0.00 WAT1 ATOM 5498 OH2 TIP3 1331 -4.241 -10.790 22.409 1.00 0.00 WAT1 ATOM 5499 H1 TIP3 1331 -3.547 -11.437 22.172 1.00 0.00 WAT1 ATOM 5500 H2 TIP3 1331 -3.939 -10.427 23.264 1.00 0.00 WAT1 ATOM 5501 OH2 TIP3 1332 2.954 -11.545 21.933 1.00 0.00 WAT1 ATOM 5502 H1 TIP3 1332 3.070 -11.865 21.012 1.00 0.00 WAT1 ATOM 5503 H2 TIP3 1332 3.407 -10.693 21.946 1.00 0.00 WAT1 ATOM 5504 OH2 TIP3 1333 1.285 -13.868 24.701 1.00 0.00 WAT1 ATOM 5505 H1 TIP3 1333 1.745 -14.713 24.481 1.00 0.00 WAT1 ATOM 5506 H2 TIP3 1333 1.924 -13.397 25.279 1.00 0.00 WAT1 ATOM 5507 OH2 TIP3 1334 2.818 -12.268 19.324 1.00 0.00 WAT1 ATOM 5508 H1 TIP3 1334 3.399 -12.110 18.545 1.00 0.00 WAT1 ATOM 5509 H2 TIP3 1334 2.407 -13.123 19.143 1.00 0.00 WAT1 ATOM 5510 OH2 TIP3 1335 -1.209 -12.664 24.965 1.00 0.00 WAT1 ATOM 5511 H1 TIP3 1335 -1.411 -12.707 25.910 1.00 0.00 WAT1 ATOM 5512 H2 TIP3 1335 -0.319 -13.077 24.890 1.00 0.00 WAT1 ATOM 5513 OH2 TIP3 1336 2.857 -16.062 24.182 1.00 0.00 WAT1 ATOM 5514 H1 TIP3 1336 3.776 -16.161 24.443 1.00 0.00 WAT1 ATOM 5515 H2 TIP3 1336 2.678 -16.857 23.632 1.00 0.00 WAT1 ATOM 5516 OH2 TIP3 1337 -1.247 -0.279 16.562 1.00 0.00 WAT1 ATOM 5517 H1 TIP3 1337 -0.396 0.165 16.526 1.00 0.00 WAT1 ATOM 5518 H2 TIP3 1337 -1.016 -1.224 16.684 1.00 0.00 WAT1 ATOM 5519 OH2 TIP3 1338 -4.801 -2.990 17.861 1.00 0.00 WAT1 ATOM 5520 H1 TIP3 1338 -4.135 -3.610 17.491 1.00 0.00 WAT1 ATOM 5521 H2 TIP3 1338 -4.865 -3.249 18.809 1.00 0.00 WAT1 ATOM 5522 OH2 TIP3 1339 -6.773 -13.481 24.361 1.00 0.00 WAT1 ATOM 5523 H1 TIP3 1339 -7.642 -13.648 23.942 1.00 0.00 WAT1 ATOM 5524 H2 TIP3 1339 -6.879 -12.617 24.789 1.00 0.00 WAT1 ATOM 5525 OH2 TIP3 1340 2.494 -14.021 16.275 1.00 0.00 WAT1 ATOM 5526 H1 TIP3 1340 2.651 -14.732 15.642 1.00 0.00 WAT1 ATOM 5527 H2 TIP3 1340 1.760 -14.360 16.840 1.00 0.00 WAT1 ATOM 5528 OH2 TIP3 1341 -2.632 -15.565 14.791 1.00 0.00 WAT1 ATOM 5529 H1 TIP3 1341 -2.616 -15.657 13.813 1.00 0.00 WAT1 ATOM 5530 H2 TIP3 1341 -2.307 -14.653 14.951 1.00 0.00 WAT1 ATOM 5531 OH2 TIP3 1342 -2.674 -17.649 19.119 1.00 0.00 WAT1 ATOM 5532 H1 TIP3 1342 -2.149 -18.407 19.450 1.00 0.00 WAT1 ATOM 5533 H2 TIP3 1342 -2.168 -17.329 18.343 1.00 0.00 WAT1 ATOM 5534 OH2 TIP3 1343 -3.032 -6.089 24.690 1.00 0.00 WAT1 ATOM 5535 H1 TIP3 1343 -3.104 -5.300 24.101 1.00 0.00 WAT1 ATOM 5536 H2 TIP3 1343 -3.367 -5.768 25.561 1.00 0.00 WAT1 ATOM 5537 OH2 TIP3 1344 0.171 -4.720 20.476 1.00 0.00 WAT1 ATOM 5538 H1 TIP3 1344 -0.467 -4.027 20.184 1.00 0.00 WAT1 ATOM 5539 H2 TIP3 1344 1.032 -4.422 20.109 1.00 0.00 WAT1 ATOM 5540 OH2 TIP3 1345 -3.178 -1.675 21.211 1.00 0.00 WAT1 ATOM 5541 H1 TIP3 1345 -3.489 -0.749 21.280 1.00 0.00 WAT1 ATOM 5542 H2 TIP3 1345 -3.987 -2.183 21.000 1.00 0.00 WAT1 ATOM 5543 OH2 TIP3 1346 -2.899 -4.876 17.307 1.00 0.00 WAT1 ATOM 5544 H1 TIP3 1346 -2.261 -5.392 17.849 1.00 0.00 WAT1 ATOM 5545 H2 TIP3 1346 -3.027 -5.425 16.510 1.00 0.00 WAT1 ATOM 5546 OH2 TIP3 1347 -0.075 -2.766 17.142 1.00 0.00 WAT1 ATOM 5547 H1 TIP3 1347 0.374 -3.633 17.125 1.00 0.00 WAT1 ATOM 5548 H2 TIP3 1347 -0.641 -2.807 17.942 1.00 0.00 WAT1 ATOM 5549 OH2 TIP3 1348 -1.362 -16.820 16.863 1.00 0.00 WAT1 ATOM 5550 H1 TIP3 1348 -1.821 -16.300 16.167 1.00 0.00 WAT1 ATOM 5551 H2 TIP3 1348 -1.340 -17.730 16.499 1.00 0.00 WAT1 ATOM 5552 OH2 TIP3 1349 -2.829 -15.913 12.029 1.00 0.00 WAT1 ATOM 5553 H1 TIP3 1349 -3.008 -16.097 11.083 1.00 0.00 WAT1 ATOM 5554 H2 TIP3 1349 -3.066 -14.963 12.136 1.00 0.00 WAT1 ATOM 5555 OH2 TIP3 1350 -1.035 -19.744 23.096 1.00 0.00 WAT1 ATOM 5556 H1 TIP3 1350 -0.328 -20.304 23.454 1.00 0.00 WAT1 ATOM 5557 H2 TIP3 1350 -0.570 -18.936 22.791 1.00 0.00 WAT1 ATOM 5558 OH2 TIP3 1351 -6.287 -10.788 26.274 1.00 0.00 WAT1 ATOM 5559 H1 TIP3 1351 -7.211 -10.840 25.952 1.00 0.00 WAT1 ATOM 5560 H2 TIP3 1351 -6.320 -10.115 26.984 1.00 0.00 WAT1 ATOM 5561 OH2 TIP3 1352 -5.594 -9.653 30.769 1.00 0.00 WAT1 ATOM 5562 H1 TIP3 1352 -4.705 -9.979 30.948 1.00 0.00 WAT1 ATOM 5563 H2 TIP3 1352 -6.081 -9.830 31.582 1.00 0.00 WAT1 ATOM 5564 OH2 TIP3 1353 -3.443 -1.366 37.815 1.00 0.00 WAT1 ATOM 5565 H1 TIP3 1353 -4.063 -1.773 38.420 1.00 0.00 WAT1 ATOM 5566 H2 TIP3 1353 -3.970 -0.744 37.314 1.00 0.00 WAT1 ATOM 5567 OH2 TIP3 1354 -4.237 -5.141 26.923 1.00 0.00 WAT1 ATOM 5568 H1 TIP3 1354 -4.004 -4.272 27.302 1.00 0.00 WAT1 ATOM 5569 H2 TIP3 1354 -5.197 -5.112 26.837 1.00 0.00 WAT1 ATOM 5570 OH2 TIP3 1355 -0.736 16.854 -10.412 1.00 0.00 WAT1 ATOM 5571 H1 TIP3 1355 0.204 16.839 -10.173 1.00 0.00 WAT1 ATOM 5572 H2 TIP3 1355 -1.195 16.643 -9.578 1.00 0.00 WAT1 ATOM 5573 OH2 TIP3 1356 1.427 17.316 -5.742 1.00 0.00 WAT1 ATOM 5574 H1 TIP3 1356 0.731 17.925 -5.397 1.00 0.00 WAT1 ATOM 5575 H2 TIP3 1356 1.701 16.796 -4.960 1.00 0.00 WAT1 ATOM 5576 OH2 TIP3 1357 -3.178 14.349 -7.112 1.00 0.00 WAT1 ATOM 5577 H1 TIP3 1357 -2.727 14.498 -6.263 1.00 0.00 WAT1 ATOM 5578 H2 TIP3 1357 -2.615 14.798 -7.758 1.00 0.00 WAT1 ATOM 5579 OH2 TIP3 1358 -0.566 16.295 -0.570 1.00 0.00 WAT1 ATOM 5580 H1 TIP3 1358 -0.876 16.607 -1.441 1.00 0.00 WAT1 ATOM 5581 H2 TIP3 1358 0.410 16.300 -0.651 1.00 0.00 WAT1 ATOM 5582 OH2 TIP3 1359 4.812 16.868 -5.932 1.00 0.00 WAT1 ATOM 5583 H1 TIP3 1359 4.591 17.431 -5.165 1.00 0.00 WAT1 ATOM 5584 H2 TIP3 1359 5.144 17.497 -6.602 1.00 0.00 WAT1 ATOM 5585 OH2 TIP3 1360 1.595 19.790 -3.048 1.00 0.00 WAT1 ATOM 5586 H1 TIP3 1360 0.887 19.523 -3.671 1.00 0.00 WAT1 ATOM 5587 H2 TIP3 1360 1.859 20.685 -3.356 1.00 0.00 WAT1 ATOM 5588 OH2 TIP3 1361 2.179 16.387 -1.002 1.00 0.00 WAT1 ATOM 5589 H1 TIP3 1361 2.364 16.109 -1.926 1.00 0.00 WAT1 ATOM 5590 H2 TIP3 1361 2.757 17.168 -0.867 1.00 0.00 WAT1 ATOM 5591 OH2 TIP3 1362 3.874 18.369 -3.774 1.00 0.00 WAT1 ATOM 5592 H1 TIP3 1362 3.061 18.857 -3.511 1.00 0.00 WAT1 ATOM 5593 H2 TIP3 1362 4.575 18.755 -3.202 1.00 0.00 WAT1 ATOM 5594 OH2 TIP3 1363 3.247 18.685 3.943 1.00 0.00 WAT1 ATOM 5595 H1 TIP3 1363 3.872 18.641 4.703 1.00 0.00 WAT1 ATOM 5596 H2 TIP3 1363 3.656 18.107 3.263 1.00 0.00 WAT1 ATOM 5597 OH2 TIP3 1364 2.805 15.898 -3.678 1.00 0.00 WAT1 ATOM 5598 H1 TIP3 1364 3.312 15.298 -4.240 1.00 0.00 WAT1 ATOM 5599 H2 TIP3 1364 3.315 16.738 -3.701 1.00 0.00 WAT1 ATOM 5600 OH2 TIP3 1365 1.482 16.991 -8.424 1.00 0.00 WAT1 ATOM 5601 H1 TIP3 1365 2.359 16.647 -8.720 1.00 0.00 WAT1 ATOM 5602 H2 TIP3 1365 1.572 17.058 -7.445 1.00 0.00 WAT1 ATOM 5603 OH2 TIP3 1366 -4.117 17.033 -5.206 1.00 0.00 WAT1 ATOM 5604 H1 TIP3 1366 -3.652 17.622 -5.838 1.00 0.00 WAT1 ATOM 5605 H2 TIP3 1366 -4.971 16.833 -5.647 1.00 0.00 WAT1 ATOM 5606 OH2 TIP3 1367 -2.083 18.256 4.246 1.00 0.00 WAT1 ATOM 5607 H1 TIP3 1367 -2.152 17.695 3.444 1.00 0.00 WAT1 ATOM 5608 H2 TIP3 1367 -1.121 18.431 4.329 1.00 0.00 WAT1 ATOM 5609 OH2 TIP3 1368 4.078 16.229 -8.604 1.00 0.00 WAT1 ATOM 5610 H1 TIP3 1368 4.321 15.968 -7.699 1.00 0.00 WAT1 ATOM 5611 H2 TIP3 1368 4.629 17.010 -8.779 1.00 0.00 WAT1 ATOM 5612 OH2 TIP3 1369 -1.107 16.283 -7.698 1.00 0.00 WAT1 ATOM 5613 H1 TIP3 1369 -1.140 16.025 -6.748 1.00 0.00 WAT1 ATOM 5614 H2 TIP3 1369 -0.151 16.403 -7.879 1.00 0.00 WAT1 ATOM 5615 OH2 TIP3 1370 -1.225 17.625 -2.969 1.00 0.00 WAT1 ATOM 5616 H1 TIP3 1370 -0.994 18.124 -3.778 1.00 0.00 WAT1 ATOM 5617 H2 TIP3 1370 -1.419 18.322 -2.310 1.00 0.00 WAT1 ATOM 5618 OH2 TIP3 1371 4.415 16.981 2.134 1.00 0.00 WAT1 ATOM 5619 H1 TIP3 1371 3.778 16.252 1.925 1.00 0.00 WAT1 ATOM 5620 H2 TIP3 1371 5.245 16.524 2.309 1.00 0.00 WAT1 ATOM 5621 OH2 TIP3 1372 -0.347 19.243 1.302 1.00 0.00 WAT1 ATOM 5622 H1 TIP3 1372 -0.876 18.415 1.304 1.00 0.00 WAT1 ATOM 5623 H2 TIP3 1372 -0.077 19.353 2.238 1.00 0.00 WAT1 ATOM 5624 OH2 TIP3 1373 2.056 20.402 0.697 1.00 0.00 WAT1 ATOM 5625 H1 TIP3 1373 1.205 19.922 0.779 1.00 0.00 WAT1 ATOM 5626 H2 TIP3 1373 2.052 21.022 1.459 1.00 0.00 WAT1 ATOM 5627 OH2 TIP3 1374 -0.831 19.908 -1.376 1.00 0.00 WAT1 ATOM 5628 H1 TIP3 1374 -0.695 19.748 -0.420 1.00 0.00 WAT1 ATOM 5629 H2 TIP3 1374 0.071 19.937 -1.743 1.00 0.00 WAT1 ATOM 5630 OH2 TIP3 1375 2.721 15.041 1.341 1.00 0.00 WAT1 ATOM 5631 H1 TIP3 1375 2.471 15.417 0.468 1.00 0.00 WAT1 ATOM 5632 H2 TIP3 1375 2.059 14.364 1.505 1.00 0.00 WAT1 ATOM 5633 OH2 TIP3 1376 -2.509 18.513 -6.797 1.00 0.00 WAT1 ATOM 5634 H1 TIP3 1376 -2.080 17.823 -7.343 1.00 0.00 WAT1 ATOM 5635 H2 TIP3 1376 -1.785 18.850 -6.231 1.00 0.00 WAT1 ATOM 5636 OH2 TIP3 1377 0.201 19.481 -8.857 1.00 0.00 WAT1 ATOM 5637 H1 TIP3 1377 0.194 19.916 -7.976 1.00 0.00 WAT1 ATOM 5638 H2 TIP3 1377 0.771 18.696 -8.733 1.00 0.00 WAT1 ATOM 5639 OH2 TIP3 1378 -4.567 3.618 16.810 1.00 0.00 WAT1 ATOM 5640 H1 TIP3 1378 -4.073 4.448 16.776 1.00 0.00 WAT1 ATOM 5641 H2 TIP3 1378 -5.295 3.751 16.187 1.00 0.00 WAT1 ATOM 5642 OH2 TIP3 1379 -3.773 1.105 21.006 1.00 0.00 WAT1 ATOM 5643 H1 TIP3 1379 -2.865 1.314 20.771 1.00 0.00 WAT1 ATOM 5644 H2 TIP3 1379 -4.311 1.597 20.350 1.00 0.00 WAT1 ATOM 5645 OH2 TIP3 1380 0.276 26.658 -12.409 1.00 0.00 WAT1 ATOM 5646 H1 TIP3 1380 0.502 27.407 -11.813 1.00 0.00 WAT1 ATOM 5647 H2 TIP3 1380 0.625 25.877 -11.948 1.00 0.00 WAT1 ATOM 5648 OH2 TIP3 1381 -1.146 29.287 -8.415 1.00 0.00 WAT1 ATOM 5649 H1 TIP3 1381 -0.941 28.967 -7.508 1.00 0.00 WAT1 ATOM 5650 H2 TIP3 1381 -1.168 30.256 -8.322 1.00 0.00 WAT1 ATOM 5651 OH2 TIP3 1382 -4.394 22.489 -14.957 1.00 0.00 WAT1 ATOM 5652 H1 TIP3 1382 -3.468 22.431 -15.204 1.00 0.00 WAT1 ATOM 5653 H2 TIP3 1382 -4.392 23.052 -14.149 1.00 0.00 WAT1 ATOM 5654 OH2 TIP3 1383 -1.659 20.232 -10.631 1.00 0.00 WAT1 ATOM 5655 H1 TIP3 1383 -0.914 19.886 -10.082 1.00 0.00 WAT1 ATOM 5656 H2 TIP3 1383 -1.682 19.631 -11.406 1.00 0.00 WAT1 ATOM 5657 OH2 TIP3 1384 -3.710 34.254 -8.656 1.00 0.00 WAT1 ATOM 5658 H1 TIP3 1384 -3.130 35.051 -8.684 1.00 0.00 WAT1 ATOM 5659 H2 TIP3 1384 -4.457 34.482 -9.224 1.00 0.00 WAT1 ATOM 5660 OH2 TIP3 1385 -2.468 31.347 -10.701 1.00 0.00 WAT1 ATOM 5661 H1 TIP3 1385 -2.922 30.981 -11.482 1.00 0.00 WAT1 ATOM 5662 H2 TIP3 1385 -1.519 31.297 -10.931 1.00 0.00 WAT1 ATOM 5663 OH2 TIP3 1386 0.493 28.686 -10.541 1.00 0.00 WAT1 ATOM 5664 H1 TIP3 1386 -0.040 28.795 -9.727 1.00 0.00 WAT1 ATOM 5665 H2 TIP3 1386 0.663 29.598 -10.833 1.00 0.00 WAT1 ATOM 5666 OH2 TIP3 1387 3.700 25.840 -8.920 1.00 0.00 WAT1 ATOM 5667 H1 TIP3 1387 3.848 25.291 -8.123 1.00 0.00 WAT1 ATOM 5668 H2 TIP3 1387 4.583 26.108 -9.188 1.00 0.00 WAT1 ATOM 5669 OH2 TIP3 1388 1.340 25.241 -10.136 1.00 0.00 WAT1 ATOM 5670 H1 TIP3 1388 0.767 25.878 -9.693 1.00 0.00 WAT1 ATOM 5671 H2 TIP3 1388 2.246 25.477 -9.824 1.00 0.00 WAT1 ATOM 5672 OH2 TIP3 1389 1.577 23.006 -6.763 1.00 0.00 WAT1 ATOM 5673 H1 TIP3 1389 1.704 23.010 -7.736 1.00 0.00 WAT1 ATOM 5674 H2 TIP3 1389 0.905 22.299 -6.617 1.00 0.00 WAT1 ATOM 5675 OH2 TIP3 1390 4.128 21.558 -8.136 1.00 0.00 WAT1 ATOM 5676 H1 TIP3 1390 3.604 20.944 -7.584 1.00 0.00 WAT1 ATOM 5677 H2 TIP3 1390 3.483 21.905 -8.786 1.00 0.00 WAT1 ATOM 5678 OH2 TIP3 1391 -2.846 22.733 -10.713 1.00 0.00 WAT1 ATOM 5679 H1 TIP3 1391 -2.834 22.756 -9.744 1.00 0.00 WAT1 ATOM 5680 H2 TIP3 1391 -2.398 21.894 -10.935 1.00 0.00 WAT1 ATOM 5681 OH2 TIP3 1392 0.308 31.539 -10.810 1.00 0.00 WAT1 ATOM 5682 H1 TIP3 1392 0.769 31.412 -9.948 1.00 0.00 WAT1 ATOM 5683 H2 TIP3 1392 0.081 32.496 -10.818 1.00 0.00 WAT1 ATOM 5684 OH2 TIP3 1393 -1.877 18.185 -12.464 1.00 0.00 WAT1 ATOM 5685 H1 TIP3 1393 -1.439 17.605 -11.792 1.00 0.00 WAT1 ATOM 5686 H2 TIP3 1393 -1.621 17.802 -13.310 1.00 0.00 WAT1 ATOM 5687 OH2 TIP3 1394 1.919 22.614 -9.461 1.00 0.00 WAT1 ATOM 5688 H1 TIP3 1394 1.703 23.493 -9.845 1.00 0.00 WAT1 ATOM 5689 H2 TIP3 1394 1.395 21.993 -9.983 1.00 0.00 WAT1 ATOM 5690 OH2 TIP3 1395 2.130 29.860 -1.258 1.00 0.00 WAT1 ATOM 5691 H1 TIP3 1395 1.594 29.138 -1.655 1.00 0.00 WAT1 ATOM 5692 H2 TIP3 1395 2.992 29.433 -1.066 1.00 0.00 WAT1 ATOM 5693 OH2 TIP3 1396 2.624 22.474 -1.150 1.00 0.00 WAT1 ATOM 5694 H1 TIP3 1396 2.458 22.315 -2.099 1.00 0.00 WAT1 ATOM 5695 H2 TIP3 1396 2.561 21.585 -0.742 1.00 0.00 WAT1 ATOM 5696 OH2 TIP3 1397 4.172 28.081 -0.852 1.00 0.00 WAT1 ATOM 5697 H1 TIP3 1397 3.786 27.504 -0.166 1.00 0.00 WAT1 ATOM 5698 H2 TIP3 1397 4.140 27.540 -1.663 1.00 0.00 WAT1 ATOM 5699 OH2 TIP3 1398 1.508 22.063 2.798 1.00 0.00 WAT1 ATOM 5700 H1 TIP3 1398 0.568 22.325 2.935 1.00 0.00 WAT1 ATOM 5701 H2 TIP3 1398 1.826 21.830 3.693 1.00 0.00 WAT1 ATOM 5702 OH2 TIP3 1399 5.209 33.191 1.125 1.00 0.00 WAT1 ATOM 5703 H1 TIP3 1399 4.665 33.775 0.550 1.00 0.00 WAT1 ATOM 5704 H2 TIP3 1399 5.808 33.796 1.567 1.00 0.00 WAT1 ATOM 5705 OH2 TIP3 1400 -1.058 22.967 2.945 1.00 0.00 WAT1 ATOM 5706 H1 TIP3 1400 -0.887 23.838 3.377 1.00 0.00 WAT1 ATOM 5707 H2 TIP3 1400 -1.578 23.203 2.145 1.00 0.00 WAT1 ATOM 5708 OH2 TIP3 1401 -3.851 29.675 -7.369 1.00 0.00 WAT1 ATOM 5709 H1 TIP3 1401 -3.402 30.531 -7.534 1.00 0.00 WAT1 ATOM 5710 H2 TIP3 1401 -3.249 29.204 -6.780 1.00 0.00 WAT1 ATOM 5711 OH2 TIP3 1402 3.856 18.507 -0.130 1.00 0.00 WAT1 ATOM 5712 H1 TIP3 1402 4.130 18.049 0.692 1.00 0.00 WAT1 ATOM 5713 H2 TIP3 1402 3.235 19.204 0.179 1.00 0.00 WAT1 ATOM 5714 OH2 TIP3 1403 0.933 31.207 -5.608 1.00 0.00 WAT1 ATOM 5715 H1 TIP3 1403 1.467 31.176 -4.792 1.00 0.00 WAT1 ATOM 5716 H2 TIP3 1403 0.406 32.025 -5.510 1.00 0.00 WAT1 ATOM 5717 OH2 TIP3 1404 4.100 35.392 -0.250 1.00 0.00 WAT1 ATOM 5718 H1 TIP3 1404 3.796 36.158 0.275 1.00 0.00 WAT1 ATOM 5719 H2 TIP3 1404 4.134 35.733 -1.163 1.00 0.00 WAT1 ATOM 5720 OH2 TIP3 1405 2.152 30.358 1.561 1.00 0.00 WAT1 ATOM 5721 H1 TIP3 1405 1.935 30.413 0.610 1.00 0.00 WAT1 ATOM 5722 H2 TIP3 1405 3.127 30.486 1.589 1.00 0.00 WAT1 ATOM 5723 OH2 TIP3 1406 2.499 33.519 4.567 1.00 0.00 WAT1 ATOM 5724 H1 TIP3 1406 1.631 33.890 4.831 1.00 0.00 WAT1 ATOM 5725 H2 TIP3 1406 2.753 34.046 3.794 1.00 0.00 WAT1 ATOM 5726 OH2 TIP3 1407 0.273 35.065 4.891 1.00 0.00 WAT1 ATOM 5727 H1 TIP3 1407 0.225 35.718 5.612 1.00 0.00 WAT1 ATOM 5728 H2 TIP3 1407 0.762 35.528 4.176 1.00 0.00 WAT1 ATOM 5729 OH2 TIP3 1408 3.495 26.079 -2.700 1.00 0.00 WAT1 ATOM 5730 H1 TIP3 1408 3.786 25.534 -3.455 1.00 0.00 WAT1 ATOM 5731 H2 TIP3 1408 3.747 25.545 -1.914 1.00 0.00 WAT1 ATOM 5732 OH2 TIP3 1409 1.627 24.026 0.833 1.00 0.00 WAT1 ATOM 5733 H1 TIP3 1409 1.799 23.454 0.056 1.00 0.00 WAT1 ATOM 5734 H2 TIP3 1409 1.572 23.402 1.582 1.00 0.00 WAT1 ATOM 5735 OH2 TIP3 1410 5.054 18.803 -7.888 1.00 0.00 WAT1 ATOM 5736 H1 TIP3 1410 4.156 19.053 -7.591 1.00 0.00 WAT1 ATOM 5737 H2 TIP3 1410 5.404 19.614 -8.286 1.00 0.00 WAT1 ATOM 5738 OH2 TIP3 1411 0.693 28.061 1.688 1.00 0.00 WAT1 ATOM 5739 H1 TIP3 1411 -0.019 28.065 2.360 1.00 0.00 WAT1 ATOM 5740 H2 TIP3 1411 1.083 28.958 1.748 1.00 0.00 WAT1 ATOM 5741 OH2 TIP3 1412 2.252 22.305 -3.975 1.00 0.00 WAT1 ATOM 5742 H1 TIP3 1412 1.814 22.621 -4.786 1.00 0.00 WAT1 ATOM 5743 H2 TIP3 1412 3.123 22.748 -3.991 1.00 0.00 WAT1 ATOM 5744 OH2 TIP3 1413 -0.822 25.495 3.930 1.00 0.00 WAT1 ATOM 5745 H1 TIP3 1413 -0.889 26.433 3.659 1.00 0.00 WAT1 ATOM 5746 H2 TIP3 1413 -0.302 25.528 4.765 1.00 0.00 WAT1 ATOM 5747 OH2 TIP3 1414 2.580 19.646 -6.816 1.00 0.00 WAT1 ATOM 5748 H1 TIP3 1414 2.393 18.791 -6.380 1.00 0.00 WAT1 ATOM 5749 H2 TIP3 1414 1.763 20.168 -6.671 1.00 0.00 WAT1 ATOM 5750 OH2 TIP3 1415 4.309 24.641 -0.552 1.00 0.00 WAT1 ATOM 5751 H1 TIP3 1415 3.762 23.827 -0.600 1.00 0.00 WAT1 ATOM 5752 H2 TIP3 1415 3.944 25.130 0.207 1.00 0.00 WAT1 ATOM 5753 OH2 TIP3 1416 4.611 23.928 -4.247 1.00 0.00 WAT1 ATOM 5754 H1 TIP3 1416 4.585 24.171 -5.198 1.00 0.00 WAT1 ATOM 5755 H2 TIP3 1416 4.981 23.009 -4.246 1.00 0.00 WAT1 ATOM 5756 OH2 TIP3 1417 4.121 24.014 -6.893 1.00 0.00 WAT1 ATOM 5757 H1 TIP3 1417 4.455 23.200 -7.328 1.00 0.00 WAT1 ATOM 5758 H2 TIP3 1417 3.177 23.814 -6.712 1.00 0.00 WAT1 ATOM 5759 OH2 TIP3 1418 1.506 28.855 6.092 1.00 0.00 WAT1 ATOM 5760 H1 TIP3 1418 2.077 28.093 5.854 1.00 0.00 WAT1 ATOM 5761 H2 TIP3 1418 1.730 29.542 5.417 1.00 0.00 WAT1 ATOM 5762 OH2 TIP3 1419 -0.269 33.458 -4.444 1.00 0.00 WAT1 ATOM 5763 H1 TIP3 1419 0.343 32.984 -3.839 1.00 0.00 WAT1 ATOM 5764 H2 TIP3 1419 -0.770 34.042 -3.858 1.00 0.00 WAT1 ATOM 5765 OH2 TIP3 1420 1.117 27.515 -2.228 1.00 0.00 WAT1 ATOM 5766 H1 TIP3 1420 0.720 27.020 -1.501 1.00 0.00 WAT1 ATOM 5767 H2 TIP3 1420 1.903 26.985 -2.479 1.00 0.00 WAT1 ATOM 5768 OH2 TIP3 1421 1.244 31.926 -2.773 1.00 0.00 WAT1 ATOM 5769 H1 TIP3 1421 0.731 32.440 -2.107 1.00 0.00 WAT1 ATOM 5770 H2 TIP3 1421 1.681 31.222 -2.244 1.00 0.00 WAT1 ATOM 5771 OH2 TIP3 1422 3.340 39.661 -1.487 1.00 0.00 WAT1 ATOM 5772 H1 TIP3 1422 3.440 40.540 -1.071 1.00 0.00 WAT1 ATOM 5773 H2 TIP3 1422 3.386 39.035 -0.733 1.00 0.00 WAT1 ATOM 5774 OH2 TIP3 1423 0.989 35.874 -1.568 1.00 0.00 WAT1 ATOM 5775 H1 TIP3 1423 1.939 35.970 -1.396 1.00 0.00 WAT1 ATOM 5776 H2 TIP3 1423 0.700 36.778 -1.824 1.00 0.00 WAT1 ATOM 5777 OH2 TIP3 1424 0.480 25.568 6.317 1.00 0.00 WAT1 ATOM 5778 H1 TIP3 1424 0.170 25.739 7.231 1.00 0.00 WAT1 ATOM 5779 H2 TIP3 1424 0.969 24.718 6.387 1.00 0.00 WAT1 ATOM 5780 OH2 TIP3 1425 -0.700 28.950 -5.724 1.00 0.00 WAT1 ATOM 5781 H1 TIP3 1425 -0.154 29.756 -5.607 1.00 0.00 WAT1 ATOM 5782 H2 TIP3 1425 -0.512 28.420 -4.937 1.00 0.00 WAT1 ATOM 5783 OH2 TIP3 1426 6.361 23.710 -2.070 1.00 0.00 WAT1 ATOM 5784 H1 TIP3 1426 5.951 23.967 -2.913 1.00 0.00 WAT1 ATOM 5785 H2 TIP3 1426 5.790 24.129 -1.392 1.00 0.00 WAT1 ATOM 5786 OH2 TIP3 1427 7.298 21.417 -1.026 1.00 0.00 WAT1 ATOM 5787 H1 TIP3 1427 6.994 22.235 -1.490 1.00 0.00 WAT1 ATOM 5788 H2 TIP3 1427 8.023 21.718 -0.474 1.00 0.00 WAT1 ATOM 5789 OH2 TIP3 1428 -2.902 28.352 -10.373 1.00 0.00 WAT1 ATOM 5790 H1 TIP3 1428 -3.144 27.496 -10.005 1.00 0.00 WAT1 ATOM 5791 H2 TIP3 1428 -2.354 28.769 -9.673 1.00 0.00 WAT1 ATOM 5792 OH2 TIP3 1429 -0.400 33.572 -1.311 1.00 0.00 WAT1 ATOM 5793 H1 TIP3 1429 -1.140 33.792 -0.717 1.00 0.00 WAT1 ATOM 5794 H2 TIP3 1429 0.138 34.400 -1.339 1.00 0.00 WAT1 ATOM 5795 OH2 TIP3 1430 1.726 34.368 7.542 1.00 0.00 WAT1 ATOM 5796 H1 TIP3 1430 2.521 34.143 7.042 1.00 0.00 WAT1 ATOM 5797 H2 TIP3 1430 1.233 33.523 7.600 1.00 0.00 WAT1 ATOM 5798 OH2 TIP3 1431 -1.081 28.268 3.812 1.00 0.00 WAT1 ATOM 5799 H1 TIP3 1431 -0.782 29.093 4.243 1.00 0.00 WAT1 ATOM 5800 H2 TIP3 1431 -2.040 28.414 3.655 1.00 0.00 WAT1 ATOM 5801 OH2 TIP3 1432 2.345 30.770 4.343 1.00 0.00 WAT1 ATOM 5802 H1 TIP3 1432 2.189 30.647 3.388 1.00 0.00 WAT1 ATOM 5803 H2 TIP3 1432 2.476 31.738 4.441 1.00 0.00 WAT1 ATOM 5804 OH2 TIP3 1433 4.008 27.848 3.013 1.00 0.00 WAT1 ATOM 5805 H1 TIP3 1433 4.221 28.725 2.652 1.00 0.00 WAT1 ATOM 5806 H2 TIP3 1433 3.596 27.375 2.265 1.00 0.00 WAT1 ATOM 5807 OH2 TIP3 1434 2.699 26.476 0.929 1.00 0.00 WAT1 ATOM 5808 H1 TIP3 1434 1.970 27.102 1.172 1.00 0.00 WAT1 ATOM 5809 H2 TIP3 1434 2.258 25.591 0.936 1.00 0.00 WAT1 ATOM 5810 OH2 TIP3 1435 4.855 30.441 1.389 1.00 0.00 WAT1 ATOM 5811 H1 TIP3 1435 5.049 31.408 1.367 1.00 0.00 WAT1 ATOM 5812 H2 TIP3 1435 5.287 30.095 0.597 1.00 0.00 WAT1 ATOM 5813 OH2 TIP3 1436 3.332 26.896 5.477 1.00 0.00 WAT1 ATOM 5814 H1 TIP3 1436 2.785 26.111 5.335 1.00 0.00 WAT1 ATOM 5815 H2 TIP3 1436 3.621 27.159 4.568 1.00 0.00 WAT1 ATOM 5816 OH2 TIP3 1437 1.585 23.149 6.579 1.00 0.00 WAT1 ATOM 5817 H1 TIP3 1437 1.858 22.401 6.015 1.00 0.00 WAT1 ATOM 5818 H2 TIP3 1437 0.834 22.792 7.104 1.00 0.00 WAT1 ATOM 5819 OH2 TIP3 1438 -2.398 31.931 -8.066 1.00 0.00 WAT1 ATOM 5820 H1 TIP3 1438 -2.930 32.758 -8.019 1.00 0.00 WAT1 ATOM 5821 H2 TIP3 1438 -2.399 31.707 -9.025 1.00 0.00 WAT1 ATOM 5822 OH2 TIP3 1439 1.933 36.149 3.068 1.00 0.00 WAT1 ATOM 5823 H1 TIP3 1439 1.215 36.734 2.720 1.00 0.00 WAT1 ATOM 5824 H2 TIP3 1439 2.680 36.756 3.211 1.00 0.00 WAT1 ATOM 5825 OH2 TIP3 1440 3.332 38.512 3.424 1.00 0.00 WAT1 ATOM 5826 H1 TIP3 1440 2.907 38.540 4.307 1.00 0.00 WAT1 ATOM 5827 H2 TIP3 1440 3.166 39.401 3.051 1.00 0.00 WAT1 ATOM 5828 OH2 TIP3 1441 3.182 37.900 0.702 1.00 0.00 WAT1 ATOM 5829 H1 TIP3 1441 3.412 38.033 1.644 1.00 0.00 WAT1 ATOM 5830 H2 TIP3 1441 2.246 38.166 0.648 1.00 0.00 WAT1 ATOM 5831 OH2 TIP3 1442 5.401 19.770 -2.020 1.00 0.00 WAT1 ATOM 5832 H1 TIP3 1442 6.143 20.268 -1.595 1.00 0.00 WAT1 ATOM 5833 H2 TIP3 1442 4.923 19.363 -1.263 1.00 0.00 WAT1 ATOM 5834 OH2 TIP3 1443 -0.806 34.161 -7.017 1.00 0.00 WAT1 ATOM 5835 H1 TIP3 1443 -0.558 34.027 -6.078 1.00 0.00 WAT1 ATOM 5836 H2 TIP3 1443 -1.182 33.308 -7.286 1.00 0.00 WAT1 ATOM 5837 OH2 TIP3 1444 5.259 21.315 -4.294 1.00 0.00 WAT1 ATOM 5838 H1 TIP3 1444 5.601 20.661 -4.912 1.00 0.00 WAT1 ATOM 5839 H2 TIP3 1444 5.285 20.859 -3.423 1.00 0.00 WAT1 ATOM 5840 OH2 TIP3 1445 2.213 20.848 5.258 1.00 0.00 WAT1 ATOM 5841 H1 TIP3 1445 2.466 20.587 6.172 1.00 0.00 WAT1 ATOM 5842 H2 TIP3 1445 2.707 20.217 4.686 1.00 0.00 WAT1 ATOM 5843 OH2 TIP3 1446 4.702 19.000 6.239 1.00 0.00 WAT1 ATOM 5844 H1 TIP3 1446 4.099 19.395 6.903 1.00 0.00 WAT1 ATOM 5845 H2 TIP3 1446 5.533 18.891 6.710 1.00 0.00 WAT1 ATOM 5846 OH2 TIP3 1447 1.395 30.892 -8.343 1.00 0.00 WAT1 ATOM 5847 H1 TIP3 1447 1.998 30.142 -8.329 1.00 0.00 WAT1 ATOM 5848 H2 TIP3 1447 1.247 31.100 -7.396 1.00 0.00 WAT1 ATOM 5849 OH2 TIP3 1448 -2.605 27.145 12.632 1.00 0.00 WAT1 ATOM 5850 H1 TIP3 1448 -2.743 28.089 12.869 1.00 0.00 WAT1 ATOM 5851 H2 TIP3 1448 -1.716 27.135 12.217 1.00 0.00 WAT1 ATOM 5852 OH2 TIP3 1449 -0.519 30.846 11.557 1.00 0.00 WAT1 ATOM 5853 H1 TIP3 1449 -0.425 31.728 11.140 1.00 0.00 WAT1 ATOM 5854 H2 TIP3 1449 0.380 30.453 11.493 1.00 0.00 WAT1 ATOM 5855 OH2 TIP3 1450 2.833 20.266 7.868 1.00 0.00 WAT1 ATOM 5856 H1 TIP3 1450 1.980 19.879 8.188 1.00 0.00 WAT1 ATOM 5857 H2 TIP3 1450 2.981 21.021 8.452 1.00 0.00 WAT1 ATOM 5858 OH2 TIP3 1451 -1.455 23.789 9.997 1.00 0.00 WAT1 ATOM 5859 H1 TIP3 1451 -1.146 24.622 9.574 1.00 0.00 WAT1 ATOM 5860 H2 TIP3 1451 -1.834 24.083 10.853 1.00 0.00 WAT1 ATOM 5861 OH2 TIP3 1452 4.544 28.279 7.538 1.00 0.00 WAT1 ATOM 5862 H1 TIP3 1452 5.236 28.709 7.024 1.00 0.00 WAT1 ATOM 5863 H2 TIP3 1452 4.084 27.702 6.884 1.00 0.00 WAT1 ATOM 5864 OH2 TIP3 1453 -0.333 27.545 11.080 1.00 0.00 WAT1 ATOM 5865 H1 TIP3 1453 -0.978 28.149 10.645 1.00 0.00 WAT1 ATOM 5866 H2 TIP3 1453 0.472 28.095 11.186 1.00 0.00 WAT1 ATOM 5867 OH2 TIP3 1454 2.347 30.052 8.341 1.00 0.00 WAT1 ATOM 5868 H1 TIP3 1454 1.985 29.543 7.578 1.00 0.00 WAT1 ATOM 5869 H2 TIP3 1454 3.284 29.799 8.365 1.00 0.00 WAT1 ATOM 5870 OH2 TIP3 1455 4.094 28.028 10.265 1.00 0.00 WAT1 ATOM 5871 H1 TIP3 1455 4.558 27.230 10.526 1.00 0.00 WAT1 ATOM 5872 H2 TIP3 1455 4.239 28.086 9.296 1.00 0.00 WAT1 ATOM 5873 OH2 TIP3 1456 -2.042 29.283 9.880 1.00 0.00 WAT1 ATOM 5874 H1 TIP3 1456 -1.621 29.999 10.403 1.00 0.00 WAT1 ATOM 5875 H2 TIP3 1456 -2.111 29.653 8.975 1.00 0.00 WAT1 ATOM 5876 OH2 TIP3 1457 0.544 31.891 7.431 1.00 0.00 WAT1 ATOM 5877 H1 TIP3 1457 1.202 31.263 7.804 1.00 0.00 WAT1 ATOM 5878 H2 TIP3 1457 0.340 31.524 6.548 1.00 0.00 WAT1 ATOM 5879 OH2 TIP3 1458 -0.586 26.112 8.789 1.00 0.00 WAT1 ATOM 5880 H1 TIP3 1458 -0.861 26.887 8.245 1.00 0.00 WAT1 ATOM 5881 H2 TIP3 1458 -0.319 26.507 9.647 1.00 0.00 WAT1 ATOM 5882 OH2 TIP3 1459 -0.969 28.180 7.051 1.00 0.00 WAT1 ATOM 5883 H1 TIP3 1459 -1.379 27.900 6.223 1.00 0.00 WAT1 ATOM 5884 H2 TIP3 1459 -0.066 28.463 6.785 1.00 0.00 WAT1 ATOM 5885 OH2 TIP3 1460 1.755 29.399 10.916 1.00 0.00 WAT1 ATOM 5886 H1 TIP3 1460 2.589 28.902 11.040 1.00 0.00 WAT1 ATOM 5887 H2 TIP3 1460 1.832 29.758 10.006 1.00 0.00 WAT1 ATOM 5888 OH2 TIP3 1461 -2.555 19.783 9.199 1.00 0.00 WAT1 ATOM 5889 H1 TIP3 1461 -2.887 20.410 9.882 1.00 0.00 WAT1 ATOM 5890 H2 TIP3 1461 -2.603 20.294 8.363 1.00 0.00 WAT1 ATOM 5891 OH2 TIP3 1462 -0.543 22.230 7.969 1.00 0.00 WAT1 ATOM 5892 H1 TIP3 1462 -1.399 21.978 7.561 1.00 0.00 WAT1 ATOM 5893 H2 TIP3 1462 -0.797 22.811 8.722 1.00 0.00 WAT1 ATOM 5894 OH2 TIP3 1463 -3.378 32.287 9.939 1.00 0.00 WAT1 ATOM 5895 H1 TIP3 1463 -3.461 31.593 9.258 1.00 0.00 WAT1 ATOM 5896 H2 TIP3 1463 -4.223 32.253 10.419 1.00 0.00 WAT1 ATOM 5897 OH2 TIP3 1464 0.301 19.757 8.718 1.00 0.00 WAT1 ATOM 5898 H1 TIP3 1464 -0.529 19.380 9.052 1.00 0.00 WAT1 ATOM 5899 H2 TIP3 1464 0.067 20.681 8.492 1.00 0.00 WAT1 ATOM 5900 OH2 TIP3 1465 -0.748 32.941 9.790 1.00 0.00 WAT1 ATOM 5901 H1 TIP3 1465 -0.390 32.622 8.938 1.00 0.00 WAT1 ATOM 5902 H2 TIP3 1465 -1.701 32.692 9.762 1.00 0.00 WAT1 ATOM 5903 OH2 TIP3 1466 2.833 47.205 -1.043 1.00 0.00 WAT1 ATOM 5904 H1 TIP3 1466 2.954 48.064 -1.452 1.00 0.00 WAT1 ATOM 5905 H2 TIP3 1466 1.874 47.034 -1.122 1.00 0.00 WAT1 ATOM 5906 OH2 TIP3 1467 -0.565 44.687 -5.041 1.00 0.00 WAT1 ATOM 5907 H1 TIP3 1467 -1.245 45.353 -5.255 1.00 0.00 WAT1 ATOM 5908 H2 TIP3 1467 -1.006 44.104 -4.386 1.00 0.00 WAT1 ATOM 5909 OH2 TIP3 1468 2.688 40.826 -3.992 1.00 0.00 WAT1 ATOM 5910 H1 TIP3 1468 2.738 40.362 -3.131 1.00 0.00 WAT1 ATOM 5911 H2 TIP3 1468 3.625 41.068 -4.182 1.00 0.00 WAT1 ATOM 5912 OH2 TIP3 1469 0.752 39.352 0.379 1.00 0.00 WAT1 ATOM 5913 H1 TIP3 1469 0.427 38.744 1.098 1.00 0.00 WAT1 ATOM 5914 H2 TIP3 1469 0.186 40.155 0.474 1.00 0.00 WAT1 ATOM 5915 OH2 TIP3 1470 -0.064 43.776 -1.613 1.00 0.00 WAT1 ATOM 5916 H1 TIP3 1470 -0.643 43.411 -2.316 1.00 0.00 WAT1 ATOM 5917 H2 TIP3 1470 0.632 43.112 -1.510 1.00 0.00 WAT1 ATOM 5918 OH2 TIP3 1471 -7.107 47.249 -6.748 1.00 0.00 WAT1 ATOM 5919 H1 TIP3 1471 -6.928 47.163 -5.789 1.00 0.00 WAT1 ATOM 5920 H2 TIP3 1471 -6.215 47.203 -7.162 1.00 0.00 WAT1 ATOM 5921 OH2 TIP3 1472 3.513 37.009 -2.468 1.00 0.00 WAT1 ATOM 5922 H1 TIP3 1472 3.547 37.968 -2.282 1.00 0.00 WAT1 ATOM 5923 H2 TIP3 1472 2.944 36.939 -3.242 1.00 0.00 WAT1 ATOM 5924 OH2 TIP3 1473 -2.098 46.594 -8.845 1.00 0.00 WAT1 ATOM 5925 H1 TIP3 1473 -1.448 46.001 -8.408 1.00 0.00 WAT1 ATOM 5926 H2 TIP3 1473 -1.583 47.059 -9.508 1.00 0.00 WAT1 ATOM 5927 OH2 TIP3 1474 -4.489 47.404 0.426 1.00 0.00 WAT1 ATOM 5928 H1 TIP3 1474 -4.742 48.237 0.018 1.00 0.00 WAT1 ATOM 5929 H2 TIP3 1474 -3.752 47.071 -0.147 1.00 0.00 WAT1 ATOM 5930 OH2 TIP3 1475 1.691 38.438 5.676 1.00 0.00 WAT1 ATOM 5931 H1 TIP3 1475 0.878 38.499 5.110 1.00 0.00 WAT1 ATOM 5932 H2 TIP3 1475 1.542 37.641 6.216 1.00 0.00 WAT1 ATOM 5933 OH2 TIP3 1476 2.852 44.747 0.226 1.00 0.00 WAT1 ATOM 5934 H1 TIP3 1476 2.151 45.000 0.857 1.00 0.00 WAT1 ATOM 5935 H2 TIP3 1476 3.071 45.585 -0.235 1.00 0.00 WAT1 ATOM 5936 OH2 TIP3 1477 1.524 42.907 -5.655 1.00 0.00 WAT1 ATOM 5937 H1 TIP3 1477 1.964 42.486 -4.892 1.00 0.00 WAT1 ATOM 5938 H2 TIP3 1477 0.954 43.598 -5.257 1.00 0.00 WAT1 ATOM 5939 OH2 TIP3 1478 0.577 45.525 1.698 1.00 0.00 WAT1 ATOM 5940 H1 TIP3 1478 0.470 45.745 2.631 1.00 0.00 WAT1 ATOM 5941 H2 TIP3 1478 -0.194 44.941 1.499 1.00 0.00 WAT1 ATOM 5942 OH2 TIP3 1479 -2.683 42.434 -6.029 1.00 0.00 WAT1 ATOM 5943 H1 TIP3 1479 -3.216 41.638 -5.933 1.00 0.00 WAT1 ATOM 5944 H2 TIP3 1479 -2.400 42.647 -5.109 1.00 0.00 WAT1 ATOM 5945 OH2 TIP3 1480 5.334 41.484 -4.133 1.00 0.00 WAT1 ATOM 5946 H1 TIP3 1480 5.474 41.861 -3.233 1.00 0.00 WAT1 ATOM 5947 H2 TIP3 1480 6.211 41.211 -4.411 1.00 0.00 WAT1 ATOM 5948 OH2 TIP3 1481 -0.989 40.461 -3.522 1.00 0.00 WAT1 ATOM 5949 H1 TIP3 1481 -1.375 41.364 -3.459 1.00 0.00 WAT1 ATOM 5950 H2 TIP3 1481 -0.486 40.474 -4.363 1.00 0.00 WAT1 ATOM 5951 OH2 TIP3 1482 -0.216 44.894 -7.801 1.00 0.00 WAT1 ATOM 5952 H1 TIP3 1482 0.706 44.668 -8.064 1.00 0.00 WAT1 ATOM 5953 H2 TIP3 1482 -0.209 44.820 -6.825 1.00 0.00 WAT1 ATOM 5954 OH2 TIP3 1483 3.547 42.118 -0.057 1.00 0.00 WAT1 ATOM 5955 H1 TIP3 1483 3.289 41.727 0.804 1.00 0.00 WAT1 ATOM 5956 H2 TIP3 1483 3.301 43.071 0.029 1.00 0.00 WAT1 ATOM 5957 OH2 TIP3 1484 2.337 43.955 -8.039 1.00 0.00 WAT1 ATOM 5958 H1 TIP3 1484 3.253 43.745 -8.235 1.00 0.00 WAT1 ATOM 5959 H2 TIP3 1484 2.162 43.498 -7.187 1.00 0.00 WAT1 ATOM 5960 OH2 TIP3 1485 -0.349 44.695 6.281 1.00 0.00 WAT1 ATOM 5961 H1 TIP3 1485 0.395 44.789 6.882 1.00 0.00 WAT1 ATOM 5962 H2 TIP3 1485 -0.481 43.724 6.211 1.00 0.00 WAT1 ATOM 5963 OH2 TIP3 1486 -2.262 43.205 -8.582 1.00 0.00 WAT1 ATOM 5964 H1 TIP3 1486 -1.506 43.828 -8.566 1.00 0.00 WAT1 ATOM 5965 H2 TIP3 1486 -2.332 42.893 -7.653 1.00 0.00 WAT1 ATOM 5966 OH2 TIP3 1487 -4.895 44.235 -8.742 1.00 0.00 WAT1 ATOM 5967 H1 TIP3 1487 -4.914 45.146 -8.378 1.00 0.00 WAT1 ATOM 5968 H2 TIP3 1487 -3.941 44.034 -8.824 1.00 0.00 WAT1 ATOM 5969 OH2 TIP3 1488 0.548 40.324 -5.770 1.00 0.00 WAT1 ATOM 5970 H1 TIP3 1488 1.334 40.117 -5.222 1.00 0.00 WAT1 ATOM 5971 H2 TIP3 1488 0.722 41.230 -6.095 1.00 0.00 WAT1 ATOM 5972 OH2 TIP3 1489 -4.284 41.499 -9.261 1.00 0.00 WAT1 ATOM 5973 H1 TIP3 1489 -3.377 41.862 -9.215 1.00 0.00 WAT1 ATOM 5974 H2 TIP3 1489 -4.851 42.268 -9.073 1.00 0.00 WAT1 ATOM 5975 OH2 TIP3 1490 -3.095 44.750 6.082 1.00 0.00 WAT1 ATOM 5976 H1 TIP3 1490 -2.128 44.921 6.121 1.00 0.00 WAT1 ATOM 5977 H2 TIP3 1490 -3.291 44.704 5.113 1.00 0.00 WAT1 ATOM 5978 OH2 TIP3 1491 -0.507 41.570 1.250 1.00 0.00 WAT1 ATOM 5979 H1 TIP3 1491 -0.937 42.430 1.074 1.00 0.00 WAT1 ATOM 5980 H2 TIP3 1491 -0.333 41.583 2.213 1.00 0.00 WAT1 ATOM 5981 OH2 TIP3 1492 2.394 40.786 2.127 1.00 0.00 WAT1 ATOM 5982 H1 TIP3 1492 1.740 41.167 2.750 1.00 0.00 WAT1 ATOM 5983 H2 TIP3 1492 1.848 40.329 1.457 1.00 0.00 WAT1 ATOM 5984 OH2 TIP3 1493 -1.040 42.053 6.229 1.00 0.00 WAT1 ATOM 5985 H1 TIP3 1493 -1.991 42.133 6.425 1.00 0.00 WAT1 ATOM 5986 H2 TIP3 1493 -0.762 41.246 6.714 1.00 0.00 WAT1 ATOM 5987 OH2 TIP3 1494 0.302 41.364 3.879 1.00 0.00 WAT1 ATOM 5988 H1 TIP3 1494 0.136 40.414 4.061 1.00 0.00 WAT1 ATOM 5989 H2 TIP3 1494 -0.071 41.823 4.657 1.00 0.00 WAT1 ATOM 5990 OH2 TIP3 1495 0.015 40.967 9.759 1.00 0.00 WAT1 ATOM 5991 H1 TIP3 1495 0.141 40.595 8.859 1.00 0.00 WAT1 ATOM 5992 H2 TIP3 1495 0.226 40.216 10.358 1.00 0.00 WAT1 ATOM 5993 OH2 TIP3 1496 -0.081 39.720 7.358 1.00 0.00 WAT1 ATOM 5994 H1 TIP3 1496 0.700 39.427 6.836 1.00 0.00 WAT1 ATOM 5995 H2 TIP3 1496 -0.587 38.905 7.500 1.00 0.00 WAT1 ATOM 5996 OH2 TIP3 1497 0.174 46.420 -0.944 1.00 0.00 WAT1 ATOM 5997 H1 TIP3 1497 0.194 45.505 -1.300 1.00 0.00 WAT1 ATOM 5998 H2 TIP3 1497 0.291 46.303 0.020 1.00 0.00 WAT1 ATOM 5999 OH2 TIP3 1498 5.790 42.427 -1.616 1.00 0.00 WAT1 ATOM 6000 H1 TIP3 1498 6.278 43.074 -1.100 1.00 0.00 WAT1 ATOM 6001 H2 TIP3 1498 4.981 42.259 -1.086 1.00 0.00 WAT1 ATOM 6002 OH2 TIP3 1499 -1.754 36.186 -8.526 1.00 0.00 WAT1 ATOM 6003 H1 TIP3 1499 -1.679 37.042 -8.064 1.00 0.00 WAT1 ATOM 6004 H2 TIP3 1499 -1.307 35.545 -7.919 1.00 0.00 WAT1 ATOM 6005 OH2 TIP3 1500 0.370 38.481 -2.184 1.00 0.00 WAT1 ATOM 6006 H1 TIP3 1500 0.599 38.807 -1.287 1.00 0.00 WAT1 ATOM 6007 H2 TIP3 1500 -0.088 39.237 -2.603 1.00 0.00 WAT1 ATOM 6008 OH2 TIP3 1501 -1.464 38.802 -7.135 1.00 0.00 WAT1 ATOM 6009 H1 TIP3 1501 -1.612 39.468 -7.812 1.00 0.00 WAT1 ATOM 6010 H2 TIP3 1501 -0.712 39.156 -6.614 1.00 0.00 WAT1 ATOM 6011 OH2 TIP3 1502 0.220 36.584 7.221 1.00 0.00 WAT1 ATOM 6012 H1 TIP3 1502 -0.281 36.784 8.044 1.00 0.00 WAT1 ATOM 6013 H2 TIP3 1502 0.748 35.778 7.451 1.00 0.00 WAT1 ATOM 6014 OH2 TIP3 1503 -2.638 43.702 10.620 1.00 0.00 WAT1 ATOM 6015 H1 TIP3 1503 -1.670 43.693 10.819 1.00 0.00 WAT1 ATOM 6016 H2 TIP3 1503 -3.037 44.088 11.408 1.00 0.00 WAT1 ATOM 6017 OH2 TIP3 1504 -0.015 43.364 11.063 1.00 0.00 WAT1 ATOM 6018 H1 TIP3 1504 0.851 43.495 11.455 1.00 0.00 WAT1 ATOM 6019 H2 TIP3 1504 0.065 42.510 10.578 1.00 0.00 WAT1 ATOM 6020 OH2 TIP3 1505 -4.684 36.882 13.625 1.00 0.00 WAT1 ATOM 6021 H1 TIP3 1505 -5.658 36.774 13.705 1.00 0.00 WAT1 ATOM 6022 H2 TIP3 1505 -4.570 37.788 13.324 1.00 0.00 WAT1 ATOM 6023 OH2 TIP3 1506 -0.402 37.072 12.991 1.00 0.00 WAT1 ATOM 6024 H1 TIP3 1506 -0.988 37.059 13.753 1.00 0.00 WAT1 ATOM 6025 H2 TIP3 1506 -0.693 36.300 12.451 1.00 0.00 WAT1 ATOM 6026 OH2 TIP3 1507 0.677 38.665 11.111 1.00 0.00 WAT1 ATOM 6027 H1 TIP3 1507 1.597 38.383 11.164 1.00 0.00 WAT1 ATOM 6028 H2 TIP3 1507 0.245 38.215 11.881 1.00 0.00 WAT1 END