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: -1552.35, 81.0277, 98.3734, 45.0034, 426.028, -251.56, -1951.81, 0.580007, 1.106075E-02 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 7.296411E-03,0.484278,1.23782,42.0478,2.380525E-03,4.824504E-02 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 16, 2 REMARK =============================================================== REMARK DATE:10-Jun-2010 13:38:48 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 -19.867 -11.492 8.615 1.00 55.01 ATOM 2 CB MET 1 -20.718 -13.379 9.184 1.00 22.41 ATOM 3 HB1 MET 1 -20.986 -13.089 10.190 1.00 37.15 ATOM 4 HB2 MET 1 -20.415 -14.417 9.186 1.00 43.25 ATOM 5 CG MET 1 -21.956 -13.243 8.306 1.00 41.25 ATOM 6 HG1 MET 1 -21.705 -13.556 7.302 1.00 37.15 ATOM 7 HG2 MET 1 -22.256 -12.204 8.293 1.00 53.00 ATOM 8 SD MET 1 -23.345 -14.234 8.892 1.00 53.12 ATOM 9 CE MET 1 -24.618 -13.750 7.727 1.00 13.02 ATOM 10 HE1 MET 1 -24.300 -13.991 6.724 1.00 63.02 ATOM 11 HE2 MET 1 -24.791 -12.687 7.804 1.00 33.32 ATOM 12 HE3 MET 1 -25.529 -14.282 7.953 1.00 22.24 ATOM 13 C MET 1 -18.400 -12.553 9.752 1.00 13.40 ATOM 14 O MET 1 -17.296 -13.017 9.461 1.00 51.14 ATOM 15 N MET 1 -19.060 -12.971 7.377 1.00 3.54 ATOM 16 HT1 MET 1 -18.721 -13.955 7.433 1.00 37.15 ATOM 17 HT2 MET 1 -18.278 -12.370 7.050 1.00 37.15 ATOM 18 HT3 MET 1 -19.834 -12.920 6.682 1.00 37.15 ATOM 19 CA MET 1 -19.534 -12.516 8.715 1.00 22.20 ATOM 20 N GLY 2 -18.679 -12.064 10.961 1.00 12.31 ATOM 21 HN GLY 2 -19.597 -11.779 11.164 1.00 37.15 ATOM 22 CA GLY 2 -17.647 -11.961 11.992 1.00 21.44 ATOM 23 HA1 GLY 2 -16.937 -12.766 11.864 1.00 37.15 ATOM 24 HA2 GLY 2 -18.117 -12.064 12.960 1.00 72.24 ATOM 25 C GLY 2 -16.895 -10.628 11.946 1.00 52.31 ATOM 26 O GLY 2 -16.700 -10.051 10.873 1.00 23.51 ATOM 27 N HIS 3 -16.467 -10.134 13.107 1.00 11.11 ATOM 28 HN HIS 3 -16.626 -10.646 13.930 1.00 37.15 ATOM 29 CA HIS 3 -15.760 -8.847 13.195 1.00 74.42 ATOM 30 HA HIS 3 -15.802 -8.375 12.222 1.00 10.01 ATOM 31 CB HIS 3 -16.454 -7.935 14.216 1.00 23.25 ATOM 32 HB1 HIS 3 -15.917 -6.999 14.279 1.00 37.15 ATOM 33 HB2 HIS 3 -16.442 -8.414 15.184 1.00 62.14 ATOM 34 CG HIS 3 -17.880 -7.628 13.876 1.00 24.44 ATOM 35 ND1 HIS 3 -18.947 -8.312 14.412 1.00 71.42 ATOM 36 HD1 HIS 3 -18.892 -9.059 15.048 1.00 52.24 ATOM 37 CD2 HIS 3 -18.412 -6.694 13.053 1.00 63.31 ATOM 38 HD2 HIS 3 -17.865 -5.976 12.459 1.00 22.41 ATOM 39 CE1 HIS 3 -20.069 -7.818 13.936 1.00 23.41 ATOM 40 HE1 HIS 3 -21.063 -8.160 14.180 1.00 13.12 ATOM 41 NE2 HIS 3 -19.776 -6.835 13.112 1.00 73.25 ATOM 42 HE2 HIS 3 -20.425 -6.196 12.748 1.00 37.15 ATOM 43 C HIS 3 -14.285 -9.035 13.589 1.00 1.33 ATOM 44 O HIS 3 -13.974 -9.327 14.745 1.00 62.51 ATOM 45 N HIS 4 -13.377 -8.866 12.626 1.00 61.13 ATOM 46 HN HIS 4 -13.681 -8.692 11.711 1.00 37.15 ATOM 47 CA HIS 4 -11.936 -8.949 12.904 1.00 23.25 ATOM 48 HA HIS 4 -11.776 -9.820 13.528 1.00 14.45 ATOM 49 CB HIS 4 -11.136 -9.125 11.601 1.00 11.44 ATOM 50 HB1 HIS 4 -11.532 -9.974 11.062 1.00 37.15 ATOM 51 HB2 HIS 4 -10.103 -9.320 11.848 1.00 3.44 ATOM 52 CG HIS 4 -11.166 -7.940 10.677 1.00 31.23 ATOM 53 ND1 HIS 4 -10.213 -6.944 10.697 1.00 34.24 ATOM 54 HD1 HIS 4 -9.441 -6.898 11.304 1.00 33.41 ATOM 55 CD2 HIS 4 -12.027 -7.605 9.684 1.00 5.34 ATOM 56 HD2 HIS 4 -12.905 -8.160 9.385 1.00 12.44 ATOM 57 CE1 HIS 4 -10.487 -6.053 9.766 1.00 52.22 ATOM 58 HE1 HIS 4 -9.913 -5.163 9.557 1.00 75.34 ATOM 59 NE2 HIS 4 -11.579 -6.430 9.133 1.00 1.23 ATOM 60 HE2 HIS 4 -11.870 -6.072 8.265 1.00 37.15 ATOM 61 C HIS 4 -11.446 -7.706 13.674 1.00 4.44 ATOM 62 O HIS 4 -12.241 -6.838 14.044 1.00 45.33 ATOM 63 N HIS 5 -10.140 -7.619 13.915 1.00 13.43 ATOM 64 HN HIS 5 -9.542 -8.323 13.583 1.00 37.15 ATOM 65 CA HIS 5 -9.572 -6.484 14.653 1.00 20.33 ATOM 66 HA HIS 5 -10.314 -6.159 15.371 1.00 34.11 ATOM 67 CB HIS 5 -8.316 -6.922 15.416 1.00 22.11 ATOM 68 HB1 HIS 5 -7.833 -6.052 15.840 1.00 37.15 ATOM 69 HB2 HIS 5 -7.636 -7.406 14.731 1.00 41.42 ATOM 70 CG HIS 5 -8.608 -7.878 16.533 1.00 72.22 ATOM 71 ND1 HIS 5 -8.148 -9.177 16.562 1.00 54.33 ATOM 72 HD1 HIS 5 -7.588 -9.604 15.876 1.00 64.04 ATOM 73 CD2 HIS 5 -9.322 -7.715 17.673 1.00 31.35 ATOM 74 HD2 HIS 5 -9.833 -6.814 17.986 1.00 62.15 ATOM 75 CE1 HIS 5 -8.567 -9.768 17.663 1.00 10.42 ATOM 76 HE1 HIS 5 -8.360 -10.787 17.951 1.00 12.54 ATOM 77 NE2 HIS 5 -9.279 -8.903 18.354 1.00 34.32 ATOM 78 HE2 HIS 5 -9.822 -9.125 19.142 1.00 37.15 ATOM 79 C HIS 5 -9.253 -5.301 13.722 1.00 63.31 ATOM 80 O HIS 5 -8.830 -5.488 12.582 1.00 51.03 ATOM 81 N HIS 6 -9.471 -4.084 14.222 1.00 34.44 ATOM 82 HN HIS 6 -9.801 -4.003 15.145 1.00 37.15 ATOM 83 CA HIS 6 -9.230 -2.862 13.442 1.00 33.43 ATOM 84 HA HIS 6 -8.573 -3.122 12.620 1.00 52.23 ATOM 85 CB HIS 6 -10.555 -2.336 12.862 1.00 32.25 ATOM 86 HB1 HIS 6 -10.831 -2.945 12.011 1.00 37.15 ATOM 87 HB2 HIS 6 -10.416 -1.317 12.531 1.00 42.13 ATOM 88 CG HIS 6 -11.701 -2.355 13.833 1.00 71.35 ATOM 89 ND1 HIS 6 -12.572 -3.417 13.942 1.00 3.24 ATOM 90 HD1 HIS 6 -12.537 -4.242 13.411 1.00 22.54 ATOM 91 CD2 HIS 6 -12.125 -1.437 14.739 1.00 74.25 ATOM 92 HD2 HIS 6 -11.680 -0.472 14.932 1.00 0.41 ATOM 93 CE1 HIS 6 -13.476 -3.158 14.864 1.00 14.41 ATOM 94 HE1 HIS 6 -14.283 -3.813 15.158 1.00 54.50 ATOM 95 NE2 HIS 6 -13.230 -1.966 15.365 1.00 23.52 ATOM 96 HE2 HIS 6 -13.849 -1.465 15.938 1.00 37.15 ATOM 97 C HIS 6 -8.534 -1.787 14.291 1.00 33.11 ATOM 98 O HIS 6 -9.099 -1.283 15.263 1.00 31.03 ATOM 99 N HIS 7 -7.303 -1.444 13.916 1.00 22.44 ATOM 100 HN HIS 7 -6.922 -1.855 13.109 1.00 37.15 ATOM 101 CA HIS 7 -6.496 -0.471 14.669 1.00 72.51 ATOM 102 HA HIS 7 -6.879 -0.434 15.681 1.00 21.42 ATOM 103 CB HIS 7 -5.031 -0.920 14.717 1.00 3.42 ATOM 104 HB1 HIS 7 -4.450 -0.175 15.245 1.00 37.15 ATOM 105 HB2 HIS 7 -4.653 -1.011 13.708 1.00 53.44 ATOM 106 CG HIS 7 -4.822 -2.233 15.404 1.00 21.34 ATOM 107 ND1 HIS 7 -4.727 -3.430 14.729 1.00 51.14 ATOM 108 HD1 HIS 7 -4.792 -3.545 13.756 1.00 43.15 ATOM 109 CD2 HIS 7 -4.684 -2.534 16.716 1.00 13.14 ATOM 110 HD2 HIS 7 -4.708 -1.836 17.541 1.00 13.15 ATOM 111 CE1 HIS 7 -4.537 -4.407 15.592 1.00 63.23 ATOM 112 HE1 HIS 7 -4.423 -5.453 15.348 1.00 62.12 ATOM 113 NE2 HIS 7 -4.507 -3.892 16.802 1.00 74.33 ATOM 114 HE2 HIS 7 -4.256 -4.378 17.616 1.00 37.15 ATOM 115 C HIS 7 -6.570 0.935 14.058 1.00 63.20 ATOM 116 O HIS 7 -6.500 1.103 12.841 1.00 63.41 ATOM 117 N HIS 8 -6.714 1.941 14.917 1.00 52.11 ATOM 118 HN HIS 8 -6.868 1.735 15.864 1.00 37.15 ATOM 119 CA HIS 8 -6.656 3.346 14.497 1.00 52.03 ATOM 120 HA HIS 8 -6.209 3.375 13.512 1.00 74.12 ATOM 121 CB HIS 8 -8.065 3.950 14.416 1.00 65.34 ATOM 122 HB1 HIS 8 -7.988 5.027 14.335 1.00 37.15 ATOM 123 HB2 HIS 8 -8.613 3.701 15.315 1.00 35.11 ATOM 124 CG HIS 8 -8.850 3.455 13.240 1.00 10.14 ATOM 125 ND1 HIS 8 -8.714 3.985 11.978 1.00 2.43 ATOM 126 HD1 HIS 8 -8.119 4.723 11.730 1.00 2.44 ATOM 127 CD2 HIS 8 -9.772 2.466 13.131 1.00 64.42 ATOM 128 HD2 HIS 8 -10.130 1.828 13.928 1.00 61.24 ATOM 129 CE1 HIS 8 -9.511 3.352 11.145 1.00 52.11 ATOM 130 HE1 HIS 8 -9.609 3.554 10.089 1.00 63.43 ATOM 131 NE2 HIS 8 -10.162 2.426 11.816 1.00 14.32 ATOM 132 HE2 HIS 8 -10.729 1.733 11.411 1.00 37.15 ATOM 133 C HIS 8 -5.774 4.166 15.446 1.00 41.42 ATOM 134 O HIS 8 -5.625 3.825 16.623 1.00 13.01 ATOM 135 N SER 9 -5.192 5.241 14.927 1.00 3.23 ATOM 136 HN SER 9 -5.392 5.491 13.999 1.00 37.15 ATOM 137 CA SER 9 -4.268 6.074 15.702 1.00 4.33 ATOM 138 HA SER 9 -3.502 5.424 16.101 1.00 44.12 ATOM 139 CB SER 9 -3.602 7.108 14.785 1.00 44.14 ATOM 140 HB1 SER 9 -2.909 7.708 15.358 1.00 37.15 ATOM 141 HB2 SER 9 -4.358 7.746 14.353 1.00 71.30 ATOM 142 OG SER 9 -2.893 6.466 13.734 1.00 61.25 ATOM 143 HG SER 9 -2.174 7.034 13.437 1.00 73.21 ATOM 144 C SER 9 -4.974 6.773 16.875 1.00 70.21 ATOM 145 O SER 9 -6.122 7.208 16.759 1.00 3.03 ATOM 146 N HIS 10 -4.276 6.874 18.004 1.00 22.54 ATOM 147 HN HIS 10 -3.353 6.541 18.021 1.00 37.15 ATOM 148 CA HIS 10 -4.837 7.471 19.218 1.00 41.11 ATOM 149 HA HIS 10 -5.718 6.902 19.488 1.00 42.03 ATOM 150 CB HIS 10 -3.817 7.372 20.361 1.00 11.40 ATOM 151 HB1 HIS 10 -2.957 7.983 20.122 1.00 37.15 ATOM 152 HB2 HIS 10 -3.499 6.345 20.465 1.00 41.11 ATOM 153 CG HIS 10 -4.344 7.823 21.689 1.00 50.43 ATOM 154 ND1 HIS 10 -3.968 9.007 22.280 1.00 22.10 ATOM 155 HD1 HIS 10 -3.335 9.661 21.905 1.00 61.01 ATOM 156 CD2 HIS 10 -5.209 7.236 22.551 1.00 22.25 ATOM 157 HD2 HIS 10 -5.707 6.287 22.411 1.00 71.23 ATOM 158 CE1 HIS 10 -4.572 9.130 23.441 1.00 11.12 ATOM 159 HE1 HIS 10 -4.463 9.960 24.124 1.00 15.32 ATOM 160 NE2 HIS 10 -5.332 8.071 23.633 1.00 22.32 ATOM 161 HE2 HIS 10 -5.707 7.810 24.503 1.00 37.15 ATOM 162 C HIS 10 -5.248 8.938 18.988 1.00 15.11 ATOM 163 O HIS 10 -4.440 9.757 18.548 1.00 23.32 ATOM 164 N MET 11 -6.514 9.245 19.285 1.00 72.13 ATOM 165 HN MET 11 -7.096 8.534 19.634 1.00 37.15 ATOM 166 CA MET 11 -7.080 10.592 19.111 1.00 72.11 ATOM 167 HA MET 11 -8.073 10.564 19.535 1.00 42.45 ATOM 168 CB MET 11 -6.264 11.645 19.883 1.00 2.15 ATOM 169 HB1 MET 11 -6.557 12.631 19.550 1.00 37.15 ATOM 170 HB2 MET 11 -5.215 11.501 19.669 1.00 30.22 ATOM 171 CG MET 11 -6.456 11.579 21.392 1.00 13.02 ATOM 172 HG1 MET 11 -6.086 10.628 21.752 1.00 37.15 ATOM 173 HG2 MET 11 -7.512 11.660 21.612 1.00 45.12 ATOM 174 SD MET 11 -5.585 12.899 22.257 1.00 71.32 ATOM 175 CE MET 11 -6.169 12.661 23.935 1.00 63.10 ATOM 176 HE1 MET 11 -7.241 12.789 23.967 1.00 54.24 ATOM 177 HE2 MET 11 -5.700 13.386 24.585 1.00 15.03 ATOM 178 HE3 MET 11 -5.916 11.665 24.265 1.00 70.41 ATOM 179 C MET 11 -7.223 10.999 17.631 1.00 51.21 ATOM 180 O MET 11 -7.359 12.181 17.316 1.00 61.00 ATOM 181 N ALA 12 -7.254 10.017 16.728 1.00 51.54 ATOM 182 HN ALA 12 -7.090 9.094 17.018 1.00 37.15 ATOM 183 CA ALA 12 -7.510 10.283 15.302 1.00 13.23 ATOM 184 HA ALA 12 -6.990 11.193 15.033 1.00 4.22 ATOM 185 CB ALA 12 -6.952 9.147 14.452 1.00 2.41 ATOM 186 HB1 ALA 12 -5.898 9.030 14.655 1.00 44.42 ATOM 187 HB2 ALA 12 -7.093 9.376 13.405 1.00 50.30 ATOM 188 HB3 ALA 12 -7.469 8.230 14.692 1.00 22.35 ATOM 189 C ALA 12 -9.016 10.470 15.024 1.00 35.13 ATOM 190 O ALA 12 -9.487 10.266 13.900 1.00 52.32 ATOM 191 N LYS 13 -9.760 10.885 16.050 1.00 40.23 ATOM 192 HN LYS 13 -9.315 11.105 16.890 1.00 37.15 ATOM 193 CA LYS 13 -11.216 11.039 15.964 1.00 72.44 ATOM 194 HA LYS 13 -11.520 10.808 14.951 1.00 2.13 ATOM 195 CB LYS 13 -11.894 10.049 16.928 1.00 2.20 ATOM 196 HB1 LYS 13 -12.966 10.153 16.838 1.00 37.15 ATOM 197 HB2 LYS 13 -11.600 10.291 17.941 1.00 1.43 ATOM 198 CG LYS 13 -11.527 8.590 16.655 1.00 22.31 ATOM 199 HG1 LYS 13 -10.449 8.515 16.584 1.00 37.15 ATOM 200 HG2 LYS 13 -11.964 8.295 15.714 1.00 31.31 ATOM 201 CD LYS 13 -12.015 7.627 17.744 1.00 61.41 ATOM 202 HD1 LYS 13 -11.618 7.951 18.697 1.00 37.15 ATOM 203 HD2 LYS 13 -11.639 6.638 17.523 1.00 44.33 ATOM 204 CE LYS 13 -13.542 7.554 17.843 1.00 63.31 ATOM 205 HE1 LYS 13 -13.811 6.639 18.354 1.00 37.15 ATOM 206 HE2 LYS 13 -13.956 7.536 16.845 1.00 2.41 ATOM 207 NZ LYS 13 -14.127 8.706 18.583 1.00 31.34 ATOM 208 HZ1 LYS 13 -13.983 9.588 18.054 1.00 41.10 ATOM 209 HZ2 LYS 13 -13.673 8.800 19.513 1.00 2.11 ATOM 210 HZ3 LYS 13 -15.148 8.559 18.724 1.00 10.55 ATOM 211 C LYS 13 -11.637 12.488 16.296 1.00 44.30 ATOM 212 O LYS 13 -11.817 12.839 17.461 1.00 41.43 ATOM 213 N PRO 14 -11.769 13.353 15.272 1.00 34.11 ATOM 214 CA PRO 14 -12.141 14.763 15.456 1.00 42.03 ATOM 215 HA PRO 14 -11.754 15.165 16.382 1.00 33.33 ATOM 216 CB PRO 14 -11.434 15.419 14.271 1.00 2.14 ATOM 217 HB1 PRO 14 -10.404 15.622 14.528 1.00 37.15 ATOM 218 HB2 PRO 14 -11.935 16.343 14.009 1.00 13.21 ATOM 219 CG PRO 14 -11.536 14.403 13.176 1.00 52.12 ATOM 220 HG1 PRO 14 -10.681 14.486 12.519 1.00 37.15 ATOM 221 HG2 PRO 14 -12.450 14.556 12.619 1.00 52.11 ATOM 222 CD PRO 14 -11.552 13.041 13.845 1.00 33.40 ATOM 223 HD1 PRO 14 -10.604 12.539 13.702 1.00 37.15 ATOM 224 HD2 PRO 14 -12.359 12.436 13.458 1.00 41.25 ATOM 225 C PRO 14 -13.661 15.007 15.384 1.00 42.31 ATOM 226 O PRO 14 -14.456 14.066 15.357 1.00 31.13 ATOM 227 N THR 15 -14.060 16.278 15.356 1.00 71.30 ATOM 228 HN THR 15 -13.388 16.991 15.437 1.00 37.15 ATOM 229 CA THR 15 -15.478 16.645 15.212 1.00 74.22 ATOM 230 HA THR 15 -16.026 15.745 14.960 1.00 60.32 ATOM 231 CB THR 15 -16.070 17.208 16.530 1.00 75.15 ATOM 232 HB THR 15 -16.112 16.403 17.253 1.00 44.41 ATOM 233 OG1 THR 15 -17.404 17.693 16.306 1.00 33.44 ATOM 234 HG1 THR 15 -17.933 16.994 15.893 1.00 42.43 ATOM 235 CG2 THR 15 -15.205 18.326 17.102 1.00 53.15 ATOM 236 HG21 THR 15 -15.129 19.127 16.381 1.00 32.11 ATOM 237 HG22 THR 15 -14.219 17.943 17.319 1.00 44.13 ATOM 238 HG23 THR 15 -15.654 18.700 18.011 1.00 13.31 ATOM 239 C THR 15 -15.688 17.667 14.082 1.00 73.34 ATOM 240 O THR 15 -15.012 18.697 14.024 1.00 61.55 ATOM 241 N ALA 16 -16.635 17.376 13.191 1.00 20.13 ATOM 242 HN ALA 16 -17.170 16.563 13.319 1.00 37.15 ATOM 243 CA ALA 16 -16.914 18.234 12.031 1.00 31.21 ATOM 244 HA ALA 16 -15.984 18.706 11.735 1.00 2.15 ATOM 245 CB ALA 16 -17.399 17.385 10.861 1.00 53.03 ATOM 246 HB1 ALA 16 -18.342 16.922 11.114 1.00 44.20 ATOM 247 HB2 ALA 16 -16.670 16.617 10.646 1.00 55.13 ATOM 248 HB3 ALA 16 -17.527 18.011 9.989 1.00 4.55 ATOM 249 C ALA 16 -17.942 19.331 12.359 1.00 3.13 ATOM 250 O ALA 16 -18.816 19.147 13.209 1.00 15.21 ATOM 251 N ARG 17 -17.843 20.463 11.663 1.00 54.21 ATOM 252 HN ARG 17 -17.165 20.530 10.959 1.00 37.15 ATOM 253 CA ARG 17 -18.721 21.610 11.915 1.00 63.41 ATOM 254 HA ARG 17 -19.692 21.231 12.205 1.00 0.01 ATOM 255 CB ARG 17 -18.148 22.450 13.065 1.00 35.55 ATOM 256 HB1 ARG 17 -17.943 21.798 13.903 1.00 37.15 ATOM 257 HB2 ARG 17 -18.887 23.181 13.365 1.00 11.54 ATOM 258 CG ARG 17 -16.858 23.192 12.707 1.00 53.11 ATOM 259 HG1 ARG 17 -17.114 24.147 12.270 1.00 37.15 ATOM 260 HG2 ARG 17 -16.303 22.606 11.987 1.00 4.04 ATOM 261 CD ARG 17 -15.977 23.427 13.928 1.00 23.32 ATOM 262 HD1 ARG 17 -16.575 23.863 14.715 1.00 37.15 ATOM 263 HD2 ARG 17 -15.184 24.111 13.660 1.00 72.31 ATOM 264 NE ARG 17 -15.390 22.181 14.417 1.00 74.32 ATOM 265 HE ARG 17 -16.002 21.450 14.645 1.00 51.31 ATOM 266 CZ ARG 17 -14.109 21.980 14.549 1.00 22.02 ATOM 267 NH1 ARG 17 -13.261 22.927 14.296 1.00 51.42 ATOM 268 HH11 ARG 17 -13.587 23.822 13.996 1.00 62.31 ATOM 269 HH12 ARG 17 -12.285 22.758 14.394 1.00 23.52 ATOM 270 NH2 ARG 17 -13.674 20.829 14.941 1.00 11.32 ATOM 271 HH21 ARG 17 -14.320 20.096 15.137 1.00 45.14 ATOM 272 HH22 ARG 17 -12.694 20.674 15.045 1.00 10.53 ATOM 273 C ARG 17 -18.883 22.474 10.656 1.00 1.13 ATOM 274 O ARG 17 -18.112 22.345 9.703 1.00 43.14 ATOM 275 N GLY 18 -19.888 23.346 10.659 1.00 23.01 ATOM 276 HN GLY 18 -20.486 23.379 11.435 1.00 37.15 ATOM 277 CA GLY 18 -20.124 24.241 9.529 1.00 22.50 ATOM 278 HA1 GLY 18 -19.589 23.870 8.664 1.00 37.15 ATOM 279 HA2 GLY 18 -19.744 25.220 9.779 1.00 20.25 ATOM 280 C GLY 18 -21.602 24.362 9.180 1.00 12.10 ATOM 281 O GLY 18 -22.420 24.671 10.047 1.00 61.11 ATOM 282 N GLU 19 -21.937 24.128 7.911 1.00 51.12 ATOM 283 HN GLU 19 -21.222 23.960 7.262 1.00 37.15 ATOM 284 CA GLU 19 -23.333 24.131 7.445 1.00 1.21 ATOM 285 HA GLU 19 -23.324 23.810 6.413 1.00 53.53 ATOM 286 CB GLU 19 -24.173 23.126 8.262 1.00 72.20 ATOM 287 HB1 GLU 19 -24.082 23.372 9.311 1.00 37.15 ATOM 288 HB2 GLU 19 -23.775 22.133 8.106 1.00 20.03 ATOM 289 CG GLU 19 -25.658 23.104 7.907 1.00 4.03 ATOM 290 HG1 GLU 19 -26.043 24.113 7.966 1.00 37.15 ATOM 291 HG2 GLU 19 -26.176 22.488 8.630 1.00 42.44 ATOM 292 CD GLU 19 -25.933 22.557 6.517 1.00 54.13 ATOM 293 OE1 GLU 19 -26.229 21.348 6.398 1.00 53.04 ATOM 294 OE2 GLU 19 -25.867 23.331 5.543 1.00 70.04 ATOM 295 C GLU 19 -23.964 25.537 7.508 1.00 53.33 ATOM 296 O GLU 19 -24.448 25.969 8.555 1.00 0.11 ATOM 297 N ALA 20 -23.925 26.256 6.386 1.00 20.32 ATOM 298 HN ALA 20 -23.418 25.911 5.618 1.00 37.15 ATOM 299 CA ALA 20 -24.590 27.564 6.275 1.00 45.33 ATOM 300 HA ALA 20 -24.799 27.920 7.276 1.00 52.04 ATOM 301 CB ALA 20 -23.662 28.569 5.600 1.00 62.01 ATOM 302 HB1 ALA 20 -23.481 28.265 4.578 1.00 64.04 ATOM 303 HB2 ALA 20 -22.723 28.609 6.133 1.00 12.45 ATOM 304 HB3 ALA 20 -24.120 29.549 5.607 1.00 35.01 ATOM 305 C ALA 20 -25.918 27.458 5.505 1.00 53.11 ATOM 306 O ALA 20 -26.608 28.460 5.286 1.00 44.34 ATOM 307 N GLY 21 -26.278 26.238 5.107 1.00 75.23 ATOM 308 HN GLY 21 -25.711 25.472 5.342 1.00 37.15 ATOM 309 CA GLY 21 -27.502 26.019 4.347 1.00 63.24 ATOM 310 HA1 GLY 21 -28.332 26.438 4.898 1.00 37.15 ATOM 311 HA2 GLY 21 -27.658 24.955 4.243 1.00 63.11 ATOM 312 C GLY 21 -27.467 26.644 2.957 1.00 20.32 ATOM 313 O GLY 21 -28.159 27.626 2.692 1.00 32.41 ATOM 314 N SER 22 -26.663 26.074 2.064 1.00 51.21 ATOM 315 HN SER 22 -26.153 25.275 2.323 1.00 37.15 ATOM 316 CA SER 22 -26.521 26.604 0.701 1.00 62.14 ATOM 317 HA SER 22 -27.479 27.005 0.401 1.00 30.22 ATOM 318 CB SER 22 -25.480 27.735 0.676 1.00 64.40 ATOM 319 HB1 SER 22 -24.533 27.356 1.035 1.00 37.15 ATOM 320 HB2 SER 22 -25.809 28.539 1.317 1.00 10.11 ATOM 321 OG SER 22 -25.297 28.248 -0.638 1.00 71.44 ATOM 322 HG SER 22 -24.414 28.641 -0.706 1.00 34.31 ATOM 323 C SER 22 -26.117 25.511 -0.299 1.00 2.43 ATOM 324 O SER 22 -25.931 24.347 0.061 1.00 4.02 ATOM 325 N ARG 23 -25.985 25.902 -1.560 1.00 13.12 ATOM 326 HN ARG 23 -26.138 26.846 -1.779 1.00 37.15 ATOM 327 CA ARG 23 -25.616 24.980 -2.635 1.00 34.34 ATOM 328 HA ARG 23 -26.125 24.042 -2.463 1.00 73.12 ATOM 329 CB ARG 23 -26.084 25.569 -3.971 1.00 60.34 ATOM 330 HB1 ARG 23 -25.499 26.456 -4.182 1.00 37.15 ATOM 331 HB2 ARG 23 -27.123 25.857 -3.878 1.00 34.33 ATOM 332 CG ARG 23 -25.962 24.625 -5.160 1.00 22.41 ATOM 333 HG1 ARG 23 -26.522 23.724 -4.953 1.00 37.15 ATOM 334 HG2 ARG 23 -24.920 24.379 -5.313 1.00 33.52 ATOM 335 CD ARG 23 -26.509 25.269 -6.427 1.00 2.14 ATOM 336 HD1 ARG 23 -25.928 26.157 -6.641 1.00 37.15 ATOM 337 HD2 ARG 23 -27.540 25.548 -6.258 1.00 64.35 ATOM 338 NE ARG 23 -26.448 24.373 -7.577 1.00 74.10 ATOM 339 HE ARG 23 -26.313 23.420 -7.403 1.00 54.42 ATOM 340 CZ ARG 23 -26.577 24.761 -8.816 1.00 61.04 ATOM 341 NH1 ARG 23 -26.724 26.018 -9.106 1.00 34.42 ATOM 342 HH11 ARG 23 -26.735 26.703 -8.378 1.00 1.02 ATOM 343 HH12 ARG 23 -26.827 26.300 -10.057 1.00 12.05 ATOM 344 NH2 ARG 23 -26.531 23.887 -9.766 1.00 4.12 ATOM 345 HH21 ARG 23 -26.395 22.923 -9.545 1.00 25.03 ATOM 346 HH22 ARG 23 -26.635 24.175 -10.716 1.00 22.03 ATOM 347 C ARG 23 -24.098 24.733 -2.656 1.00 1.40 ATOM 348 O ARG 23 -23.635 23.607 -2.859 1.00 22.43 ATOM 349 N ASP 24 -23.332 25.796 -2.427 1.00 52.13 ATOM 350 HN ASP 24 -23.767 26.657 -2.231 1.00 37.15 ATOM 351 CA ASP 24 -21.866 25.741 -2.474 1.00 41.21 ATOM 352 HA ASP 24 -21.583 25.276 -3.408 1.00 21.01 ATOM 353 CB ASP 24 -21.310 27.168 -2.444 1.00 45.13 ATOM 354 HB1 ASP 24 -20.270 27.151 -2.741 1.00 37.15 ATOM 355 HB2 ASP 24 -21.387 27.560 -1.438 1.00 63.31 ATOM 356 CG ASP 24 -22.070 28.086 -3.384 1.00 0.22 ATOM 357 OD1 ASP 24 -21.646 28.243 -4.547 1.00 14.14 ATOM 358 OD2 ASP 24 -23.117 28.628 -2.970 1.00 70.21 ATOM 359 C ASP 24 -21.282 24.915 -1.311 1.00 10.15 ATOM 360 O ASP 24 -20.248 24.250 -1.464 1.00 22.31 ATOM 361 N GLU 25 -21.959 24.957 -0.159 1.00 32.41 ATOM 362 HN GLU 25 -22.774 25.498 -0.117 1.00 37.15 ATOM 363 CA GLU 25 -21.523 24.238 1.055 1.00 51.52 ATOM 364 HA GLU 25 -20.643 24.739 1.433 1.00 31.25 ATOM 365 CB GLU 25 -22.624 24.293 2.132 1.00 55.03 ATOM 366 HB1 GLU 25 -22.310 23.696 2.979 1.00 37.15 ATOM 367 HB2 GLU 25 -23.530 23.866 1.725 1.00 1.00 ATOM 368 CG GLU 25 -22.951 25.696 2.637 1.00 2.31 ATOM 369 HG1 GLU 25 -23.799 25.633 3.306 1.00 37.15 ATOM 370 HG2 GLU 25 -23.215 26.316 1.791 1.00 44.20 ATOM 371 CD GLU 25 -21.794 26.349 3.378 1.00 12.45 ATOM 372 OE1 GLU 25 -21.040 27.122 2.748 1.00 22.44 ATOM 373 OE2 GLU 25 -21.647 26.094 4.590 1.00 30.21 ATOM 374 C GLU 25 -21.166 22.767 0.773 1.00 51.12 ATOM 375 O GLU 25 -20.199 22.240 1.324 1.00 54.02 ATOM 376 N ARG 26 -21.942 22.120 -0.099 1.00 32.24 ATOM 377 HN ARG 26 -22.653 22.617 -0.555 1.00 37.15 ATOM 378 CA ARG 26 -21.766 20.689 -0.397 1.00 23.23 ATOM 379 HA ARG 26 -22.018 20.145 0.503 1.00 25.52 ATOM 380 CB ARG 26 -22.729 20.252 -1.509 1.00 5.13 ATOM 381 HB1 ARG 26 -22.456 19.258 -1.837 1.00 37.15 ATOM 382 HB2 ARG 26 -22.634 20.935 -2.341 1.00 3.21 ATOM 383 CG ARG 26 -24.192 20.226 -1.077 1.00 2.35 ATOM 384 HG1 ARG 26 -24.506 21.233 -0.833 1.00 37.15 ATOM 385 HG2 ARG 26 -24.287 19.598 -0.201 1.00 2.35 ATOM 386 CD ARG 26 -25.095 19.676 -2.176 1.00 10.31 ATOM 387 HD1 ARG 26 -24.718 18.710 -2.484 1.00 37.15 ATOM 388 HD2 ARG 26 -25.074 20.354 -3.017 1.00 12.50 ATOM 389 NE ARG 26 -26.476 19.524 -1.727 1.00 44.33 ATOM 390 HE ARG 26 -26.754 20.039 -0.942 1.00 71.23 ATOM 391 CZ ARG 26 -27.357 18.753 -2.301 1.00 43.22 ATOM 392 NH1 ARG 26 -27.039 18.026 -3.329 1.00 32.30 ATOM 393 HH11 ARG 26 -26.106 18.045 -3.690 1.00 30.34 ATOM 394 HH12 ARG 26 -27.731 17.449 -3.758 1.00 73.14 ATOM 395 NH2 ARG 26 -28.555 18.685 -1.826 1.00 33.42 ATOM 396 HH21 ARG 26 -28.804 19.219 -1.016 1.00 22.15 ATOM 397 HH22 ARG 26 -29.230 18.096 -2.263 1.00 75.31 ATOM 398 C ARG 26 -20.319 20.330 -0.783 1.00 12.12 ATOM 399 O ARG 26 -19.827 19.255 -0.432 1.00 70.14 ATOM 400 N ARG 27 -19.637 21.226 -1.497 1.00 34.30 ATOM 401 HN ARG 27 -20.080 22.060 -1.771 1.00 37.15 ATOM 402 CA ARG 27 -18.233 20.999 -1.868 1.00 74.11 ATOM 403 HA ARG 27 -18.137 19.953 -2.131 1.00 30.31 ATOM 404 CB ARG 27 -17.839 21.845 -3.094 1.00 43.43 ATOM 405 HB1 ARG 27 -16.787 22.087 -3.029 1.00 37.15 ATOM 406 HB2 ARG 27 -18.409 22.763 -3.083 1.00 51.01 ATOM 407 CG ARG 27 -18.082 21.146 -4.433 1.00 50.54 ATOM 408 HG1 ARG 27 -17.615 20.169 -4.402 1.00 37.15 ATOM 409 HG2 ARG 27 -17.625 21.731 -5.216 1.00 44.33 ATOM 410 CD ARG 27 -19.564 20.973 -4.756 1.00 22.45 ATOM 411 HD1 ARG 27 -20.054 20.506 -3.913 1.00 37.15 ATOM 412 HD2 ARG 27 -19.658 20.331 -5.623 1.00 52.03 ATOM 413 NE ARG 27 -20.216 22.253 -5.037 1.00 40.51 ATOM 414 HE ARG 27 -19.948 23.023 -4.498 1.00 30.04 ATOM 415 CZ ARG 27 -21.128 22.432 -5.957 1.00 54.14 ATOM 416 NH1 ARG 27 -21.483 21.457 -6.734 1.00 54.12 ATOM 417 HH11 ARG 27 -21.058 20.558 -6.635 1.00 3.52 ATOM 418 HH12 ARG 27 -22.175 21.606 -7.437 1.00 53.42 ATOM 419 NH2 ARG 27 -21.663 23.599 -6.113 1.00 35.43 ATOM 420 HH21 ARG 27 -21.378 24.359 -5.533 1.00 65.04 ATOM 421 HH22 ARG 27 -22.356 23.739 -6.817 1.00 53.24 ATOM 422 C ARG 27 -17.290 21.276 -0.690 1.00 24.53 ATOM 423 O ARG 27 -16.308 20.560 -0.488 1.00 32.10 ATOM 424 N ALA 28 -17.608 22.297 0.101 1.00 13.22 ATOM 425 HN ALA 28 -18.426 22.806 -0.084 1.00 37.15 ATOM 426 CA ALA 28 -16.775 22.675 1.249 1.00 41.43 ATOM 427 HA ALA 28 -15.777 22.876 0.882 1.00 74.21 ATOM 428 CB ALA 28 -17.311 23.955 1.882 1.00 62.34 ATOM 429 HB1 ALA 28 -16.657 24.262 2.688 1.00 41.25 ATOM 430 HB2 ALA 28 -18.303 23.777 2.272 1.00 45.34 ATOM 431 HB3 ALA 28 -17.352 24.736 1.137 1.00 34.55 ATOM 432 C ALA 28 -16.702 21.550 2.298 1.00 43.01 ATOM 433 O ALA 28 -15.618 21.143 2.720 1.00 0.45 ATOM 434 N LEU 29 -17.863 21.037 2.700 1.00 54.35 ATOM 435 HN LEU 29 -18.695 21.379 2.303 1.00 37.15 ATOM 436 CA LEU 29 -17.933 19.994 3.732 1.00 31.32 ATOM 437 HA LEU 29 -17.280 20.302 4.537 1.00 70.22 ATOM 438 CB LEU 29 -19.368 19.895 4.290 1.00 64.35 ATOM 439 HB1 LEU 29 -19.573 20.807 4.833 1.00 37.15 ATOM 440 HB2 LEU 29 -19.403 19.071 4.989 1.00 42.20 ATOM 441 CG LEU 29 -20.493 19.693 3.250 1.00 15.51 ATOM 442 HG LEU 29 -20.250 20.259 2.362 1.00 72.02 ATOM 443 CD1 LEU 29 -20.628 18.228 2.835 1.00 71.32 ATOM 444 HD11 LEU 29 -21.407 18.133 2.093 1.00 2.42 ATOM 445 HD12 LEU 29 -20.880 17.629 3.699 1.00 24.44 ATOM 446 HD13 LEU 29 -19.693 17.882 2.420 1.00 55.51 ATOM 447 CD2 LEU 29 -21.820 20.222 3.786 1.00 72.20 ATOM 448 HD21 LEU 29 -21.722 21.274 4.012 1.00 41.42 ATOM 449 HD22 LEU 29 -22.088 19.684 4.685 1.00 1.25 ATOM 450 HD23 LEU 29 -22.591 20.085 3.042 1.00 4.41 ATOM 451 C LEU 29 -17.438 18.625 3.221 1.00 53.15 ATOM 452 O LEU 29 -17.023 17.775 4.009 1.00 73.14 ATOM 453 N ALA 30 -17.475 18.417 1.904 1.00 54.42 ATOM 454 HN ALA 30 -17.804 19.128 1.319 1.00 37.15 ATOM 455 CA ALA 30 -17.037 17.143 1.310 1.00 32.51 ATOM 456 HA ALA 30 -17.332 16.347 1.981 1.00 41.25 ATOM 457 CB ALA 30 -17.741 16.913 -0.023 1.00 51.50 ATOM 458 HB1 ALA 30 -18.812 16.915 0.128 1.00 13.45 ATOM 459 HB2 ALA 30 -17.438 15.961 -0.433 1.00 31.45 ATOM 460 HB3 ALA 30 -17.475 17.702 -0.712 1.00 40.32 ATOM 461 C ALA 30 -15.510 17.090 1.120 1.00 51.24 ATOM 462 O ALA 30 -14.920 16.011 1.033 1.00 51.44 ATOM 463 N MET 31 -14.878 18.261 1.034 1.00 65.30 ATOM 464 HN MET 31 -15.404 19.089 1.080 1.00 37.15 ATOM 465 CA MET 31 -13.420 18.350 0.855 1.00 11.55 ATOM 466 HA MET 31 -13.052 17.360 0.626 1.00 43.33 ATOM 467 CB MET 31 -13.097 19.278 -0.323 1.00 14.31 ATOM 468 HB1 MET 31 -12.024 19.346 -0.432 1.00 37.15 ATOM 469 HB2 MET 31 -13.492 20.263 -0.113 1.00 60.32 ATOM 470 CG MET 31 -13.680 18.802 -1.649 1.00 53.33 ATOM 471 HG1 MET 31 -13.440 19.527 -2.414 1.00 37.15 ATOM 472 HG2 MET 31 -14.754 18.729 -1.551 1.00 13.54 ATOM 473 SD MET 31 -13.036 17.195 -2.154 1.00 43.22 ATOM 474 CE MET 31 -11.288 17.562 -2.316 1.00 60.14 ATOM 475 HE1 MET 31 -10.767 16.680 -2.656 1.00 20.03 ATOM 476 HE2 MET 31 -10.894 17.865 -1.356 1.00 25.23 ATOM 477 HE3 MET 31 -11.151 18.360 -3.031 1.00 45.42 ATOM 478 C MET 31 -12.713 18.846 2.132 1.00 2.33 ATOM 479 O MET 31 -11.517 19.137 2.111 1.00 0.25 ATOM 480 N LYS 32 -13.460 18.921 3.236 1.00 4.13 ATOM 481 HN LYS 32 -14.399 18.645 3.185 1.00 37.15 ATOM 482 CA LYS 32 -12.935 19.402 4.527 1.00 53.45 ATOM 483 HA LYS 32 -13.767 19.412 5.217 1.00 31.32 ATOM 484 CB LYS 32 -11.857 18.454 5.087 1.00 73.45 ATOM 485 HB1 LYS 32 -11.440 18.894 5.982 1.00 37.15 ATOM 486 HB2 LYS 32 -11.071 18.351 4.353 1.00 35.44 ATOM 487 CG LYS 32 -12.363 17.057 5.438 1.00 70.41 ATOM 488 HG1 LYS 32 -12.661 16.551 4.531 1.00 37.15 ATOM 489 HG2 LYS 32 -13.214 17.145 6.099 1.00 40.44 ATOM 490 CD LYS 32 -11.276 16.234 6.131 1.00 52.20 ATOM 491 HD1 LYS 32 -10.979 16.742 7.038 1.00 37.15 ATOM 492 HD2 LYS 32 -10.424 16.153 5.471 1.00 4.03 ATOM 493 CE LYS 32 -11.754 14.832 6.485 1.00 34.44 ATOM 494 HE1 LYS 32 -12.023 14.314 5.576 1.00 37.15 ATOM 495 HE2 LYS 32 -12.621 14.911 7.124 1.00 35.13 ATOM 496 NZ LYS 32 -10.706 14.049 7.195 1.00 41.11 ATOM 497 HZ1 LYS 32 -11.008 13.059 7.304 1.00 33.30 ATOM 498 HZ2 LYS 32 -10.533 14.449 8.139 1.00 1.15 ATOM 499 HZ3 LYS 32 -9.816 14.068 6.657 1.00 11.23 ATOM 500 C LYS 32 -12.376 20.836 4.436 1.00 32.10 ATOM 501 O LYS 32 -11.165 21.050 4.465 1.00 70.33 ATOM 502 N ILE 33 -13.267 21.813 4.308 1.00 42.02 ATOM 503 HN ILE 33 -14.214 21.584 4.195 1.00 37.15 ATOM 504 CA ILE 33 -12.869 23.224 4.322 1.00 21.32 ATOM 505 HA ILE 33 -11.802 23.271 4.148 1.00 33.32 ATOM 506 CB ILE 33 -13.580 24.020 3.195 1.00 63.02 ATOM 507 HB ILE 33 -14.647 23.950 3.357 1.00 43.34 ATOM 508 CG1 ILE 33 -13.246 23.415 1.816 1.00 50.41 ATOM 509 HG11 ILE 33 -13.775 23.966 1.053 1.00 37.15 ATOM 510 HG12 ILE 33 -13.576 22.384 1.796 1.00 54.33 ATOM 511 CG2 ILE 33 -13.192 25.496 3.242 1.00 11.34 ATOM 512 HG21 ILE 33 -12.126 25.596 3.092 1.00 14.34 ATOM 513 HG22 ILE 33 -13.458 25.909 4.204 1.00 34.05 ATOM 514 HG23 ILE 33 -13.716 26.034 2.465 1.00 35.30 ATOM 515 CD1 ILE 33 -11.768 23.433 1.466 1.00 1.41 ATOM 516 HD11 ILE 33 -11.628 22.996 0.487 1.00 1.41 ATOM 517 HD12 ILE 33 -11.214 22.860 2.195 1.00 52.23 ATOM 518 HD13 ILE 33 -11.410 24.452 1.459 1.00 23.33 ATOM 519 C ILE 33 -13.180 23.860 5.694 1.00 25.53 ATOM 520 O ILE 33 -14.337 24.125 6.016 1.00 14.12 ATOM 521 N PRO 34 -12.145 24.110 6.525 1.00 53.23 ATOM 522 CA PRO 34 -12.328 24.612 7.907 1.00 23.12 ATOM 523 HA PRO 34 -13.093 24.053 8.425 1.00 3.14 ATOM 524 CB PRO 34 -10.966 24.321 8.546 1.00 4.12 ATOM 525 HB1 PRO 34 -10.966 23.327 8.969 1.00 37.15 ATOM 526 HB2 PRO 34 -10.762 25.047 9.323 1.00 62.43 ATOM 527 CG PRO 34 -9.997 24.433 7.418 1.00 23.31 ATOM 528 HG1 PRO 34 -9.121 23.834 7.624 1.00 37.15 ATOM 529 HG2 PRO 34 -9.717 25.470 7.278 1.00 31.33 ATOM 530 CD PRO 34 -10.716 23.914 6.197 1.00 22.43 ATOM 531 HD1 PRO 34 -10.497 22.867 6.043 1.00 37.15 ATOM 532 HD2 PRO 34 -10.438 24.490 5.323 1.00 12.32 ATOM 533 C PRO 34 -12.658 26.118 7.998 1.00 52.21 ATOM 534 O PRO 34 -12.473 26.739 9.048 1.00 33.20 ATOM 535 N PHE 35 -13.152 26.695 6.907 1.00 1.44 ATOM 536 HN PHE 35 -13.267 26.158 6.098 1.00 37.15 ATOM 537 CA PHE 35 -13.548 28.108 6.882 1.00 31.34 ATOM 538 HA PHE 35 -13.855 28.371 7.886 1.00 4.11 ATOM 539 CB PHE 35 -12.357 29.004 6.487 1.00 42.24 ATOM 540 HB1 PHE 35 -11.684 29.078 7.330 1.00 37.15 ATOM 541 HB2 PHE 35 -12.725 29.992 6.249 1.00 13.03 ATOM 542 CG PHE 35 -11.561 28.511 5.299 1.00 0.32 ATOM 543 CD1 PHE 35 -10.441 27.708 5.483 1.00 34.53 ATOM 544 HD1 PHE 35 -10.148 27.431 6.485 1.00 13.13 ATOM 545 CD2 PHE 35 -11.923 28.854 4.006 1.00 43.42 ATOM 546 HD2 PHE 35 -12.791 29.480 3.848 1.00 12.40 ATOM 547 CE1 PHE 35 -9.704 27.262 4.405 1.00 61.42 ATOM 548 HE1 PHE 35 -8.837 26.638 4.565 1.00 22.23 ATOM 549 CE2 PHE 35 -11.188 28.407 2.923 1.00 11.40 ATOM 550 HE2 PHE 35 -11.481 28.682 1.920 1.00 33.22 ATOM 551 CZ PHE 35 -10.078 27.610 3.122 1.00 45.22 ATOM 552 HZ PHE 35 -9.502 27.262 2.277 1.00 23.04 ATOM 553 C PHE 35 -14.751 28.332 5.945 1.00 53.21 ATOM 554 O PHE 35 -14.823 27.754 4.860 1.00 60.34 ATOM 555 N PRO 36 -15.712 29.185 6.357 1.00 31.14 ATOM 556 CA PRO 36 -16.975 29.389 5.619 1.00 73.30 ATOM 557 HA PRO 36 -17.535 28.466 5.550 1.00 71.34 ATOM 558 CB PRO 36 -17.748 30.385 6.503 1.00 3.15 ATOM 559 HB1 PRO 36 -18.448 29.848 7.126 1.00 37.15 ATOM 560 HB2 PRO 36 -18.285 31.092 5.883 1.00 61.31 ATOM 561 CG PRO 36 -16.702 31.061 7.325 1.00 31.35 ATOM 562 HG1 PRO 36 -17.124 31.396 8.262 1.00 37.15 ATOM 563 HG2 PRO 36 -16.289 31.900 6.780 1.00 60.31 ATOM 564 CD PRO 36 -15.644 30.021 7.571 1.00 64.45 ATOM 565 HD1 PRO 36 -15.879 29.439 8.452 1.00 37.15 ATOM 566 HD2 PRO 36 -14.673 30.484 7.670 1.00 41.31 ATOM 567 C PRO 36 -16.780 29.959 4.202 1.00 65.45 ATOM 568 O PRO 36 -15.935 30.831 3.978 1.00 54.21 ATOM 569 N THR 37 -17.588 29.472 3.255 1.00 50.53 ATOM 570 HN THR 37 -18.230 28.770 3.498 1.00 37.15 ATOM 571 CA THR 37 -17.540 29.940 1.858 1.00 52.43 ATOM 572 HA THR 37 -16.578 29.657 1.453 1.00 50.11 ATOM 573 CB THR 37 -18.638 29.273 0.993 1.00 22.31 ATOM 574 HB THR 37 -18.606 29.705 0.002 1.00 63.41 ATOM 575 OG1 THR 37 -19.934 29.512 1.565 1.00 51.21 ATOM 576 HG1 THR 37 -20.190 28.749 2.108 1.00 21.13 ATOM 577 CG2 THR 37 -18.402 27.768 0.869 1.00 24.41 ATOM 578 HG21 THR 37 -19.187 27.328 0.273 1.00 51.34 ATOM 579 HG22 THR 37 -18.403 27.319 1.853 1.00 33.23 ATOM 580 HG23 THR 37 -17.449 27.590 0.393 1.00 34.04 ATOM 581 C THR 37 -17.678 31.467 1.757 1.00 73.33 ATOM 582 O THR 37 -17.085 32.096 0.878 1.00 11.43 ATOM 583 N ASP 38 -18.459 32.058 2.663 1.00 70.01 ATOM 584 HN ASP 38 -18.990 31.497 3.272 1.00 37.15 ATOM 585 CA ASP 38 -18.573 33.517 2.765 1.00 12.04 ATOM 586 HA ASP 38 -19.080 33.875 1.881 1.00 3.22 ATOM 587 CB ASP 38 -19.396 33.890 3.998 1.00 13.13 ATOM 588 HB1 ASP 38 -19.444 34.967 4.081 1.00 37.15 ATOM 589 HB2 ASP 38 -18.915 33.488 4.879 1.00 3.12 ATOM 590 CG ASP 38 -20.806 33.347 3.932 1.00 24.23 ATOM 591 OD1 ASP 38 -20.982 32.128 4.130 1.00 53.10 ATOM 592 OD2 ASP 38 -21.740 34.130 3.676 1.00 74.43 ATOM 593 C ASP 38 -17.191 34.182 2.850 1.00 3.11 ATOM 594 O ASP 38 -16.903 35.134 2.126 1.00 44.03 ATOM 595 N LYS 39 -16.339 33.664 3.731 1.00 25.01 ATOM 596 HN LYS 39 -16.626 32.908 4.285 1.00 37.15 ATOM 597 CA LYS 39 -14.980 34.185 3.884 1.00 63.40 ATOM 598 HA LYS 39 -15.058 35.229 4.152 1.00 52.12 ATOM 599 CB LYS 39 -14.254 33.436 5.013 1.00 12.44 ATOM 600 HB1 LYS 39 -14.290 32.376 4.803 1.00 37.15 ATOM 601 HB2 LYS 39 -14.771 33.623 5.943 1.00 1.32 ATOM 602 CG LYS 39 -12.791 33.839 5.188 1.00 63.32 ATOM 603 HG1 LYS 39 -12.736 34.914 5.302 1.00 37.15 ATOM 604 HG2 LYS 39 -12.240 33.545 4.306 1.00 63.22 ATOM 605 CD LYS 39 -12.147 33.179 6.408 1.00 60.25 ATOM 606 HD1 LYS 39 -11.086 33.387 6.401 1.00 37.15 ATOM 607 HD2 LYS 39 -12.305 32.111 6.354 1.00 43.35 ATOM 608 CE LYS 39 -12.741 33.696 7.712 1.00 10.33 ATOM 609 HE1 LYS 39 -13.786 33.422 7.754 1.00 37.15 ATOM 610 HE2 LYS 39 -12.652 34.773 7.733 1.00 42.44 ATOM 611 NZ LYS 39 -12.048 33.136 8.900 1.00 21.24 ATOM 612 HZ1 LYS 39 -12.097 32.097 8.892 1.00 21.40 ATOM 613 HZ2 LYS 39 -12.491 33.483 9.771 1.00 43.11 ATOM 614 HZ3 LYS 39 -11.045 33.420 8.900 1.00 61.02 ATOM 615 C LYS 39 -14.196 34.070 2.566 1.00 31.05 ATOM 616 O LYS 39 -13.553 35.020 2.130 1.00 12.05 ATOM 617 N ILE 40 -14.291 32.906 1.927 1.00 62.45 ATOM 618 HN ILE 40 -14.831 32.193 2.329 1.00 37.15 ATOM 619 CA ILE 40 -13.617 32.645 0.644 1.00 24.23 ATOM 620 HA ILE 40 -12.551 32.628 0.827 1.00 22.33 ATOM 621 CB ILE 40 -14.038 31.259 0.081 1.00 50.13 ATOM 622 HB ILE 40 -15.108 31.274 -0.069 1.00 75.35 ATOM 623 CG1 ILE 40 -13.695 30.145 1.083 1.00 3.12 ATOM 624 HG11 ILE 40 -14.178 30.359 2.027 1.00 37.15 ATOM 625 HG12 ILE 40 -12.625 30.122 1.233 1.00 51.15 ATOM 626 CG2 ILE 40 -13.383 30.989 -1.274 1.00 71.14 ATOM 627 HG21 ILE 40 -12.309 30.968 -1.159 1.00 64.21 ATOM 628 HG22 ILE 40 -13.654 31.769 -1.972 1.00 40.45 ATOM 629 HG23 ILE 40 -13.721 30.035 -1.654 1.00 50.22 ATOM 630 CD1 ILE 40 -14.127 28.757 0.645 1.00 63.31 ATOM 631 HD11 ILE 40 -13.859 28.040 1.408 1.00 2.44 ATOM 632 HD12 ILE 40 -13.635 28.497 -0.281 1.00 43.03 ATOM 633 HD13 ILE 40 -15.198 28.740 0.500 1.00 25.01 ATOM 634 C ILE 40 -13.930 33.727 -0.412 1.00 12.14 ATOM 635 O ILE 40 -13.074 34.094 -1.219 1.00 41.01 ATOM 636 N VAL 41 -15.163 34.228 -0.398 1.00 1.13 ATOM 637 HN VAL 41 -15.785 33.930 0.298 1.00 37.15 ATOM 638 CA VAL 41 -15.621 35.201 -1.397 1.00 40.15 ATOM 639 HA VAL 41 -15.062 35.030 -2.306 1.00 0.13 ATOM 640 CB VAL 41 -17.123 34.990 -1.713 1.00 24.04 ATOM 641 HB VAL 41 -17.686 35.162 -0.805 1.00 21.23 ATOM 642 CG1 VAL 41 -17.610 35.985 -2.767 1.00 40.32 ATOM 643 HG11 VAL 41 -17.059 35.838 -3.685 1.00 12.12 ATOM 644 HG12 VAL 41 -17.454 36.993 -2.411 1.00 51.42 ATOM 645 HG13 VAL 41 -18.664 35.829 -2.951 1.00 41.10 ATOM 646 CG2 VAL 41 -17.376 33.551 -2.159 1.00 1.12 ATOM 647 HG21 VAL 41 -16.825 33.351 -3.068 1.00 65.03 ATOM 648 HG22 VAL 41 -18.432 33.405 -2.338 1.00 61.50 ATOM 649 HG23 VAL 41 -17.047 32.871 -1.385 1.00 74.41 ATOM 650 C VAL 41 -15.400 36.660 -0.950 1.00 4.33 ATOM 651 O VAL 41 -14.906 37.487 -1.720 1.00 65.34 ATOM 652 N ASN 42 -15.766 36.970 0.296 1.00 41.14 ATOM 653 HN ASN 42 -16.044 36.252 0.901 1.00 37.15 ATOM 654 CA ASN 42 -15.755 38.358 0.787 1.00 31.52 ATOM 655 HA ASN 42 -16.128 38.979 -0.016 1.00 10.43 ATOM 656 CB ASN 42 -16.702 38.509 1.985 1.00 51.30 ATOM 657 HB1 ASN 42 -16.550 39.477 2.443 1.00 37.15 ATOM 658 HB2 ASN 42 -16.482 37.738 2.710 1.00 63.53 ATOM 659 CG ASN 42 -18.164 38.392 1.587 1.00 71.43 ATOM 660 OD1 ASN 42 -18.798 39.371 1.210 1.00 65.11 ATOM 661 ND2 ASN 42 -18.714 37.201 1.684 1.00 33.04 ATOM 662 HD21 ASN 42 -18.162 36.462 2.002 1.00 53.12 ATOM 663 HD22 ASN 42 -19.660 37.107 1.437 1.00 54.42 ATOM 664 C ASN 42 -14.349 38.869 1.160 1.00 54.50 ATOM 665 O ASN 42 -14.161 40.075 1.348 1.00 0.04 ATOM 666 N LEU 43 -13.370 37.974 1.281 1.00 52.15 ATOM 667 HN LEU 43 -13.571 37.021 1.167 1.00 37.15 ATOM 668 CA LEU 43 -11.989 38.389 1.577 1.00 4.23 ATOM 669 HA LEU 43 -12.018 39.004 2.465 1.00 62.44 ATOM 670 CB LEU 43 -11.086 37.172 1.851 1.00 70.42 ATOM 671 HB1 LEU 43 -10.058 37.468 1.691 1.00 37.15 ATOM 672 HB2 LEU 43 -11.333 36.404 1.130 1.00 4.23 ATOM 673 CG LEU 43 -11.190 36.560 3.257 1.00 12.13 ATOM 674 HG LEU 43 -12.190 36.174 3.399 1.00 65.31 ATOM 675 CD1 LEU 43 -10.215 35.393 3.401 1.00 3.12 ATOM 676 HD11 LEU 43 -10.297 34.973 4.395 1.00 44.21 ATOM 677 HD12 LEU 43 -9.205 35.742 3.242 1.00 14.23 ATOM 678 HD13 LEU 43 -10.451 34.633 2.670 1.00 52.10 ATOM 679 CD2 LEU 43 -10.933 37.614 4.333 1.00 64.31 ATOM 680 HD21 LEU 43 -9.943 38.028 4.207 1.00 45.13 ATOM 681 HD22 LEU 43 -11.011 37.159 5.311 1.00 53.04 ATOM 682 HD23 LEU 43 -11.664 38.405 4.247 1.00 42.54 ATOM 683 C LEU 43 -11.378 39.213 0.432 1.00 31.23 ATOM 684 O LEU 43 -11.681 38.990 -0.745 1.00 11.53 ATOM 685 N PRO 44 -10.523 40.199 0.765 1.00 10.10 ATOM 686 CA PRO 44 -9.697 40.888 -0.235 1.00 5.40 ATOM 687 HA PRO 44 -10.305 41.311 -1.021 1.00 30.44 ATOM 688 CB PRO 44 -9.021 42.011 0.568 1.00 3.24 ATOM 689 HB1 PRO 44 -9.575 42.931 0.442 1.00 37.15 ATOM 690 HB2 PRO 44 -8.005 42.149 0.222 1.00 71.11 ATOM 691 CG PRO 44 -9.056 41.548 1.986 1.00 4.23 ATOM 692 HG1 PRO 44 -9.083 42.397 2.653 1.00 37.15 ATOM 693 HG2 PRO 44 -8.188 40.937 2.193 1.00 51.33 ATOM 694 CD PRO 44 -10.312 40.733 2.127 1.00 72.34 ATOM 695 HD1 PRO 44 -11.140 41.361 2.427 1.00 37.15 ATOM 696 HD2 PRO 44 -10.168 39.933 2.841 1.00 71.45 ATOM 697 C PRO 44 -8.659 39.930 -0.852 1.00 65.20 ATOM 698 O PRO 44 -8.156 39.031 -0.171 1.00 11.53 ATOM 699 N VAL 45 -8.336 40.131 -2.132 1.00 34.11 ATOM 700 HN VAL 45 -8.672 40.933 -2.586 1.00 37.15 ATOM 701 CA VAL 45 -7.494 39.186 -2.881 1.00 10.13 ATOM 702 HA VAL 45 -8.081 38.287 -3.022 1.00 34.42 ATOM 703 CB VAL 45 -7.138 39.738 -4.287 1.00 63.10 ATOM 704 HB VAL 45 -8.064 39.964 -4.797 1.00 42.52 ATOM 705 CG1 VAL 45 -6.333 41.031 -4.191 1.00 60.51 ATOM 706 HG11 VAL 45 -6.115 41.397 -5.184 1.00 55.21 ATOM 707 HG12 VAL 45 -5.408 40.844 -3.665 1.00 70.23 ATOM 708 HG13 VAL 45 -6.906 41.774 -3.653 1.00 24.52 ATOM 709 CG2 VAL 45 -6.393 38.687 -5.107 1.00 1.14 ATOM 710 HG21 VAL 45 -6.154 39.090 -6.082 1.00 62.31 ATOM 711 HG22 VAL 45 -7.016 37.812 -5.224 1.00 5.50 ATOM 712 HG23 VAL 45 -5.480 38.412 -4.598 1.00 33.34 ATOM 713 C VAL 45 -6.202 38.801 -2.126 1.00 60.44 ATOM 714 O VAL 45 -5.788 37.640 -2.149 1.00 1.44 ATOM 715 N ASP 46 -5.582 39.759 -1.441 1.00 3.03 ATOM 716 HN ASP 46 -5.962 40.667 -1.437 1.00 37.15 ATOM 717 CA ASP 46 -4.346 39.492 -0.697 1.00 31.25 ATOM 718 HA ASP 46 -3.651 39.035 -1.388 1.00 45.22 ATOM 719 CB ASP 46 -3.733 40.797 -0.187 1.00 0.22 ATOM 720 HB1 ASP 46 -2.884 40.572 0.443 1.00 37.15 ATOM 721 HB2 ASP 46 -4.471 41.338 0.390 1.00 1.42 ATOM 722 CG ASP 46 -3.263 41.680 -1.329 1.00 55.54 ATOM 723 OD1 ASP 46 -3.940 42.683 -1.633 1.00 53.22 ATOM 724 OD2 ASP 46 -2.220 41.359 -1.942 1.00 52.45 ATOM 725 C ASP 46 -4.575 38.516 0.467 1.00 62.43 ATOM 726 O ASP 46 -3.882 37.500 0.576 1.00 1.10 ATOM 727 N ASP 47 -5.548 38.819 1.323 1.00 5.21 ATOM 728 HN ASP 47 -6.051 39.651 1.198 1.00 37.15 ATOM 729 CA ASP 47 -5.886 37.945 2.453 1.00 3.22 ATOM 730 HA ASP 47 -4.980 37.788 3.025 1.00 45.22 ATOM 731 CB ASP 47 -6.920 38.630 3.351 1.00 44.30 ATOM 732 HB1 ASP 47 -7.260 37.931 4.103 1.00 37.15 ATOM 733 HB2 ASP 47 -7.764 38.944 2.750 1.00 4.01 ATOM 734 CG ASP 47 -6.343 39.851 4.049 1.00 30.23 ATOM 735 OD1 ASP 47 -6.070 40.861 3.365 1.00 34.44 ATOM 736 OD2 ASP 47 -6.147 39.802 5.283 1.00 12.40 ATOM 737 C ASP 47 -6.396 36.575 1.974 1.00 52.15 ATOM 738 O ASP 47 -6.307 35.580 2.698 1.00 11.34 ATOM 739 N PHE 48 -6.918 36.526 0.750 1.00 73.13 ATOM 740 HN PHE 48 -7.054 37.364 0.257 1.00 37.15 ATOM 741 CA PHE 48 -7.313 35.258 0.129 1.00 52.32 ATOM 742 HA PHE 48 -7.974 34.744 0.817 1.00 31.33 ATOM 743 CB PHE 48 -8.063 35.522 -1.184 1.00 42.31 ATOM 744 HB1 PHE 48 -7.418 36.082 -1.848 1.00 37.15 ATOM 745 HB2 PHE 48 -8.945 36.108 -0.974 1.00 63.40 ATOM 746 CG PHE 48 -8.496 34.268 -1.901 1.00 33.13 ATOM 747 CD1 PHE 48 -7.789 33.796 -2.999 1.00 21.05 ATOM 748 HD1 PHE 48 -6.919 34.338 -3.344 1.00 4.02 ATOM 749 CD2 PHE 48 -9.608 33.559 -1.471 1.00 41.40 ATOM 750 HD2 PHE 48 -10.170 33.914 -0.620 1.00 4.02 ATOM 751 CE1 PHE 48 -8.181 32.642 -3.650 1.00 13.52 ATOM 752 HE1 PHE 48 -7.622 32.286 -4.504 1.00 42.31 ATOM 753 CE2 PHE 48 -10.004 32.406 -2.121 1.00 22.30 ATOM 754 HE2 PHE 48 -10.872 31.866 -1.777 1.00 60.31 ATOM 755 CZ PHE 48 -9.292 31.948 -3.211 1.00 24.02 ATOM 756 HZ PHE 48 -9.602 31.047 -3.718 1.00 21.20 ATOM 757 C PHE 48 -6.081 34.370 -0.129 1.00 0.32 ATOM 758 O PHE 48 -6.059 33.193 0.244 1.00 42.42 ATOM 759 N ASN 49 -5.054 34.939 -0.770 1.00 44.32 ATOM 760 HN ASN 49 -5.141 35.867 -1.081 1.00 37.15 ATOM 761 CA ASN 49 -3.806 34.204 -1.026 1.00 63.41 ATOM 762 HA ASN 49 -4.067 33.304 -1.568 1.00 71.24 ATOM 763 CB ASN 49 -2.834 35.030 -1.880 1.00 4.50 ATOM 764 HB1 ASN 49 -1.893 34.502 -1.956 1.00 37.15 ATOM 765 HB2 ASN 49 -2.663 35.983 -1.396 1.00 11.43 ATOM 766 CG ASN 49 -3.354 35.288 -3.284 1.00 60.04 ATOM 767 OD1 ASN 49 -3.225 34.450 -4.170 1.00 12.12 ATOM 768 ND2 ASN 49 -3.918 36.455 -3.512 1.00 42.54 ATOM 769 HD21 ASN 49 -3.975 37.095 -2.773 1.00 40.21 ATOM 770 HD22 ASN 49 -4.250 36.637 -4.414 1.00 3.51 ATOM 771 C ASN 49 -3.125 33.795 0.291 1.00 1.35 ATOM 772 O ASN 49 -2.542 32.712 0.391 1.00 32.44 ATOM 773 N GLU 50 -3.207 34.668 1.297 1.00 13.34 ATOM 774 HN GLU 50 -3.620 35.543 1.134 1.00 37.15 ATOM 775 CA GLU 50 -2.691 34.358 2.636 1.00 73.12 ATOM 776 HA GLU 50 -1.636 34.136 2.543 1.00 50.32 ATOM 777 CB GLU 50 -2.867 35.563 3.576 1.00 22.15 ATOM 778 HB1 GLU 50 -2.577 35.269 4.575 1.00 37.15 ATOM 779 HB2 GLU 50 -3.912 35.842 3.587 1.00 22.41 ATOM 780 CG GLU 50 -2.050 36.797 3.185 1.00 64.54 ATOM 781 HG1 GLU 50 -2.400 37.638 3.769 1.00 37.15 ATOM 782 HG2 GLU 50 -2.218 37.002 2.138 1.00 1.01 ATOM 783 CD GLU 50 -0.547 36.644 3.409 1.00 13.51 ATOM 784 OE1 GLU 50 0.186 37.639 3.216 1.00 71.14 ATOM 785 OE2 GLU 50 -0.089 35.542 3.783 1.00 74.01 ATOM 786 C GLU 50 -3.408 33.135 3.229 1.00 40.33 ATOM 787 O GLU 50 -2.772 32.219 3.747 1.00 50.10 ATOM 788 N LEU 51 -4.736 33.130 3.133 1.00 43.34 ATOM 789 HN LEU 51 -5.177 33.892 2.700 1.00 37.15 ATOM 790 CA LEU 51 -5.568 32.031 3.650 1.00 60.13 ATOM 791 HA LEU 51 -5.529 32.062 4.733 1.00 74.00 ATOM 792 CB LEU 51 -7.020 32.251 3.192 1.00 31.15 ATOM 793 HB1 LEU 51 -7.042 32.198 2.110 1.00 37.15 ATOM 794 HB2 LEU 51 -7.318 33.249 3.485 1.00 10.13 ATOM 795 CG LEU 51 -8.061 31.262 3.739 1.00 71.35 ATOM 796 HG LEU 51 -7.765 30.256 3.477 1.00 11.42 ATOM 797 CD1 LEU 51 -8.144 31.347 5.258 1.00 41.44 ATOM 798 HD11 LEU 51 -8.888 30.652 5.620 1.00 3.15 ATOM 799 HD12 LEU 51 -8.416 32.351 5.551 1.00 11.13 ATOM 800 HD13 LEU 51 -7.183 31.098 5.686 1.00 64.54 ATOM 801 CD2 LEU 51 -9.427 31.527 3.113 1.00 45.32 ATOM 802 HD21 LEU 51 -9.364 31.399 2.043 1.00 13.30 ATOM 803 HD22 LEU 51 -9.738 32.538 3.337 1.00 73.52 ATOM 804 HD23 LEU 51 -10.149 30.832 3.517 1.00 42.24 ATOM 805 C LEU 51 -5.055 30.656 3.170 1.00 4.41 ATOM 806 O LEU 51 -4.797 29.755 3.975 1.00 63.22 ATOM 807 N LEU 52 -4.883 30.520 1.853 1.00 44.42 ATOM 808 HN LEU 52 -5.107 31.274 1.267 1.00 37.15 ATOM 809 CA LEU 52 -4.378 29.276 1.252 1.00 2.22 ATOM 810 HA LEU 52 -4.989 28.461 1.614 1.00 24.44 ATOM 811 CB LEU 52 -4.500 29.345 -0.276 1.00 51.44 ATOM 812 HB1 LEU 52 -4.092 28.433 -0.690 1.00 37.15 ATOM 813 HB2 LEU 52 -3.903 30.176 -0.625 1.00 62.52 ATOM 814 CG LEU 52 -5.929 29.515 -0.814 1.00 12.32 ATOM 815 HG LEU 52 -6.356 30.418 -0.404 1.00 14.20 ATOM 816 CD1 LEU 52 -5.917 29.653 -2.335 1.00 22.52 ATOM 817 HD11 LEU 52 -5.468 28.772 -2.775 1.00 33.50 ATOM 818 HD12 LEU 52 -5.343 30.525 -2.613 1.00 2.31 ATOM 819 HD13 LEU 52 -6.929 29.759 -2.698 1.00 20.55 ATOM 820 CD2 LEU 52 -6.805 28.340 -0.384 1.00 64.25 ATOM 821 HD21 LEU 52 -6.394 27.421 -0.775 1.00 41.33 ATOM 822 HD22 LEU 52 -7.807 28.476 -0.763 1.00 35.04 ATOM 823 HD23 LEU 52 -6.835 28.289 0.696 1.00 72.42 ATOM 824 C LEU 52 -2.914 28.999 1.643 1.00 23.03 ATOM 825 O LEU 52 -2.463 27.852 1.635 1.00 73.01 ATOM 826 N ALA 53 -2.175 30.055 1.973 1.00 51.13 ATOM 827 HN ALA 53 -2.580 30.948 1.943 1.00 37.15 ATOM 828 CA ALA 53 -0.770 29.923 2.373 1.00 72.20 ATOM 829 HA ALA 53 -0.347 29.087 1.830 1.00 13.13 ATOM 830 CB ALA 53 0.001 31.178 1.978 1.00 21.33 ATOM 831 HB1 ALA 53 -0.396 32.029 2.512 1.00 70.23 ATOM 832 HB2 ALA 53 -0.100 31.343 0.915 1.00 65.51 ATOM 833 HB3 ALA 53 1.046 31.053 2.223 1.00 65.31 ATOM 834 C ALA 53 -0.626 29.652 3.881 1.00 44.11 ATOM 835 O ALA 53 0.449 29.275 4.351 1.00 24.43 ATOM 836 N ARG 54 -1.705 29.855 4.637 1.00 35.33 ATOM 837 HN ARG 54 -2.531 30.171 4.211 1.00 37.15 ATOM 838 CA ARG 54 -1.692 29.631 6.091 1.00 32.32 ATOM 839 HA ARG 54 -0.670 29.734 6.429 1.00 72.44 ATOM 840 CB ARG 54 -2.549 30.686 6.807 1.00 31.41 ATOM 841 HB1 ARG 54 -2.616 30.432 7.854 1.00 37.15 ATOM 842 HB2 ARG 54 -3.544 30.670 6.383 1.00 72.33 ATOM 843 CG ARG 54 -2.006 32.108 6.693 1.00 54.13 ATOM 844 HG1 ARG 54 -2.155 32.462 5.683 1.00 37.15 ATOM 845 HG2 ARG 54 -0.949 32.100 6.918 1.00 40.01 ATOM 846 CD ARG 54 -2.707 33.056 7.658 1.00 71.52 ATOM 847 HD1 ARG 54 -3.770 33.026 7.466 1.00 37.15 ATOM 848 HD2 ARG 54 -2.342 34.060 7.489 1.00 3.41 ATOM 849 NE ARG 54 -2.464 32.680 9.050 1.00 70.43 ATOM 850 HE ARG 54 -2.352 31.729 9.245 1.00 30.45 ATOM 851 CZ ARG 54 -2.390 33.523 10.045 1.00 43.44 ATOM 852 NH1 ARG 54 -2.507 34.796 9.845 1.00 21.45 ATOM 853 HH11 ARG 54 -2.654 35.145 8.922 1.00 72.32 ATOM 854 HH12 ARG 54 -2.442 35.429 10.612 1.00 14.42 ATOM 855 NH2 ARG 54 -2.181 33.083 11.244 1.00 71.41 ATOM 856 HH21 ARG 54 -2.075 32.102 11.403 1.00 74.25 ATOM 857 HH22 ARG 54 -2.129 33.725 12.008 1.00 54.44 ATOM 858 C ARG 54 -2.186 28.222 6.459 1.00 43.40 ATOM 859 O ARG 54 -1.554 27.518 7.252 1.00 3.22 ATOM 860 N TYR 55 -3.318 27.819 5.887 1.00 1.25 ATOM 861 HN TYR 55 -3.761 28.408 5.238 1.00 37.15 ATOM 862 CA TYR 55 -3.916 26.511 6.190 1.00 31.42 ATOM 863 HA TYR 55 -3.808 26.342 7.252 1.00 54.45 ATOM 864 CB TYR 55 -5.414 26.519 5.847 1.00 40.23 ATOM 865 HB1 TYR 55 -5.790 25.506 5.878 1.00 37.15 ATOM 866 HB2 TYR 55 -5.548 26.914 4.848 1.00 72.12 ATOM 867 CG TYR 55 -6.255 27.359 6.794 1.00 5.14 ATOM 868 CD1 TYR 55 -7.217 26.769 7.609 1.00 34.33 ATOM 869 HD1 TYR 55 -7.363 25.701 7.558 1.00 44.12 ATOM 870 CD2 TYR 55 -6.084 28.735 6.877 1.00 40.21 ATOM 871 HD2 TYR 55 -5.340 29.212 6.251 1.00 70.21 ATOM 872 CE1 TYR 55 -7.981 27.526 8.476 1.00 10.24 ATOM 873 HE1 TYR 55 -8.722 27.048 9.100 1.00 71.02 ATOM 874 CE2 TYR 55 -6.843 29.499 7.743 1.00 33.53 ATOM 875 HE2 TYR 55 -6.694 30.569 7.790 1.00 2.41 ATOM 876 CZ TYR 55 -7.791 28.891 8.540 1.00 31.54 ATOM 877 OH TYR 55 -8.552 29.650 9.403 1.00 14.33 ATOM 878 HH TYR 55 -8.578 29.225 10.267 1.00 33.14 ATOM 879 C TYR 55 -3.207 25.370 5.438 1.00 32.31 ATOM 880 O TYR 55 -2.912 25.490 4.250 1.00 34.42 ATOM 881 N PRO 56 -2.941 24.237 6.124 1.00 63.33 ATOM 882 CA PRO 56 -2.254 23.074 5.522 1.00 51.13 ATOM 883 HA PRO 56 -1.390 23.381 4.950 1.00 41.34 ATOM 884 CB PRO 56 -1.804 22.285 6.758 1.00 22.33 ATOM 885 HB1 PRO 56 -0.832 22.631 7.076 1.00 37.15 ATOM 886 HB2 PRO 56 -1.758 21.229 6.524 1.00 11.22 ATOM 887 CG PRO 56 -2.847 22.575 7.783 1.00 31.12 ATOM 888 HG1 PRO 56 -2.428 22.468 8.775 1.00 37.15 ATOM 889 HG2 PRO 56 -3.686 21.903 7.657 1.00 0.52 ATOM 890 CD PRO 56 -3.275 24.002 7.545 1.00 15.34 ATOM 891 HD1 PRO 56 -2.719 24.675 8.185 1.00 37.15 ATOM 892 HD2 PRO 56 -4.336 24.112 7.715 1.00 3.23 ATOM 893 C PRO 56 -3.178 22.223 4.630 1.00 44.14 ATOM 894 O PRO 56 -3.195 20.992 4.720 1.00 64.42 ATOM 895 N LEU 57 -3.923 22.884 3.747 1.00 11.04 ATOM 896 HN LEU 57 -3.827 23.858 3.682 1.00 37.15 ATOM 897 CA LEU 57 -4.865 22.203 2.854 1.00 24.52 ATOM 898 HA LEU 57 -5.450 21.516 3.447 1.00 34.10 ATOM 899 CB LEU 57 -5.808 23.228 2.202 1.00 44.35 ATOM 900 HB1 LEU 57 -6.486 22.696 1.548 1.00 37.15 ATOM 901 HB2 LEU 57 -5.210 23.898 1.599 1.00 3.35 ATOM 902 CG LEU 57 -6.646 24.079 3.171 1.00 51.00 ATOM 903 HG LEU 57 -5.981 24.605 3.840 1.00 23.41 ATOM 904 CD1 LEU 57 -7.457 25.125 2.404 1.00 64.24 ATOM 905 HD11 LEU 57 -8.024 25.724 3.102 1.00 30.31 ATOM 906 HD12 LEU 57 -8.135 24.632 1.722 1.00 25.33 ATOM 907 HD13 LEU 57 -6.787 25.763 1.846 1.00 1.23 ATOM 908 CD2 LEU 57 -7.563 23.196 4.017 1.00 13.35 ATOM 909 HD21 LEU 57 -8.153 23.817 4.675 1.00 3.02 ATOM 910 HD22 LEU 57 -6.965 22.517 4.606 1.00 51.43 ATOM 911 HD23 LEU 57 -8.220 22.629 3.371 1.00 62.04 ATOM 912 C LEU 57 -4.135 21.414 1.755 1.00 3.52 ATOM 913 O LEU 57 -3.020 21.760 1.359 1.00 44.33 ATOM 914 N THR 58 -4.774 20.360 1.262 1.00 64.44 ATOM 915 HN THR 58 -5.630 20.101 1.657 1.00 37.15 ATOM 916 CA THR 58 -4.233 19.573 0.147 1.00 32.32 ATOM 917 HA THR 58 -3.160 19.509 0.273 1.00 75.15 ATOM 918 CB THR 58 -4.808 18.136 0.126 1.00 54.44 ATOM 919 HB THR 58 -4.336 17.586 -0.676 1.00 61.51 ATOM 920 OG1 THR 58 -6.228 18.162 -0.100 1.00 50.31 ATOM 921 HG1 THR 58 -6.685 18.228 0.749 1.00 42.35 ATOM 922 CG2 THR 58 -4.522 17.416 1.439 1.00 3.40 ATOM 923 HG21 THR 58 -4.942 16.420 1.405 1.00 31.45 ATOM 924 HG22 THR 58 -4.969 17.964 2.255 1.00 2.20 ATOM 925 HG23 THR 58 -3.454 17.351 1.592 1.00 45.24 ATOM 926 C THR 58 -4.533 20.247 -1.196 1.00 54.42 ATOM 927 O THR 58 -5.450 21.064 -1.295 1.00 60.54 ATOM 928 N GLU 59 -3.770 19.892 -2.228 1.00 63.23 ATOM 929 HN GLU 59 -3.096 19.189 -2.098 1.00 37.15 ATOM 930 CA GLU 59 -3.903 20.519 -3.556 1.00 65.12 ATOM 931 HA GLU 59 -3.543 21.534 -3.466 1.00 53.24 ATOM 932 CB GLU 59 -3.030 19.788 -4.583 1.00 54.42 ATOM 933 HB1 GLU 59 -3.251 20.177 -5.567 1.00 37.15 ATOM 934 HB2 GLU 59 -3.272 18.733 -4.561 1.00 23.41 ATOM 935 CG GLU 59 -1.534 19.944 -4.333 1.00 20.33 ATOM 936 HG1 GLU 59 -1.298 19.521 -3.366 1.00 37.15 ATOM 937 HG2 GLU 59 -1.292 20.998 -4.328 1.00 62.15 ATOM 938 CD GLU 59 -0.681 19.262 -5.388 1.00 31.12 ATOM 939 OE1 GLU 59 0.201 18.459 -5.021 1.00 74.44 ATOM 940 OE2 GLU 59 -0.897 19.523 -6.591 1.00 31.41 ATOM 941 C GLU 59 -5.362 20.565 -4.043 1.00 34.43 ATOM 942 O GLU 59 -5.843 21.611 -4.486 1.00 12.51 ATOM 943 N SER 60 -6.062 19.433 -3.949 1.00 14.21 ATOM 944 HN SER 60 -5.615 18.620 -3.621 1.00 37.15 ATOM 945 CA SER 60 -7.480 19.358 -4.340 1.00 11.51 ATOM 946 HA SER 60 -7.538 19.529 -5.406 1.00 35.52 ATOM 947 CB SER 60 -8.053 17.966 -4.031 1.00 41.14 ATOM 948 HB1 SER 60 -9.089 17.929 -4.338 1.00 37.15 ATOM 949 HB2 SER 60 -7.988 17.781 -2.968 1.00 21.05 ATOM 950 OG SER 60 -7.340 16.946 -4.711 1.00 53.41 ATOM 951 HG SER 60 -7.919 16.182 -4.835 1.00 45.13 ATOM 952 C SER 60 -8.327 20.423 -3.621 1.00 50.45 ATOM 953 O SER 60 -9.291 20.947 -4.183 1.00 22.13 ATOM 954 N GLN 61 -7.953 20.738 -2.378 1.00 61.01 ATOM 955 HN GLN 61 -7.153 20.311 -2.001 1.00 37.15 ATOM 956 CA GLN 61 -8.689 21.713 -1.563 1.00 64.03 ATOM 957 HA GLN 61 -9.745 21.521 -1.705 1.00 11.11 ATOM 958 CB GLN 61 -8.355 21.523 -0.075 1.00 31.23 ATOM 959 HB1 GLN 61 -8.871 22.279 0.502 1.00 37.15 ATOM 960 HB2 GLN 61 -7.288 21.643 0.063 1.00 41.13 ATOM 961 CG GLN 61 -8.755 20.154 0.462 1.00 73.22 ATOM 962 HG1 GLN 61 -8.277 19.394 -0.142 1.00 37.15 ATOM 963 HG2 GLN 61 -9.828 20.046 0.384 1.00 63.24 ATOM 964 CD GLN 61 -8.348 19.944 1.912 1.00 42.21 ATOM 965 OE1 GLN 61 -7.262 19.458 2.200 1.00 43.04 ATOM 966 NE2 GLN 61 -9.213 20.301 2.836 1.00 12.40 ATOM 967 HE21 GLN 61 -10.074 20.670 2.551 1.00 11.33 ATOM 968 HE22 GLN 61 -8.958 20.185 3.775 1.00 3.52 ATOM 969 C GLN 61 -8.401 23.159 -2.006 1.00 72.11 ATOM 970 O GLN 61 -9.328 23.954 -2.160 1.00 21.10 ATOM 971 N LEU 62 -7.124 23.499 -2.221 1.00 21.22 ATOM 972 HN LEU 62 -6.417 22.842 -2.046 1.00 37.15 ATOM 973 CA LEU 62 -6.767 24.845 -2.712 1.00 45.21 ATOM 974 HA LEU 62 -7.132 25.560 -1.984 1.00 55.30 ATOM 975 CB LEU 62 -5.243 25.027 -2.861 1.00 71.31 ATOM 976 HB1 LEU 62 -5.070 25.920 -3.447 1.00 37.15 ATOM 977 HB2 LEU 62 -4.855 24.182 -3.413 1.00 62.30 ATOM 978 CG LEU 62 -4.443 25.156 -1.551 1.00 64.02 ATOM 979 HG LEU 62 -4.997 25.778 -0.863 1.00 50.31 ATOM 980 CD1 LEU 62 -4.263 23.800 -0.889 1.00 40.45 ATOM 981 HD11 LEU 62 -3.734 23.136 -1.559 1.00 23.33 ATOM 982 HD12 LEU 62 -5.232 23.381 -0.660 1.00 74.21 ATOM 983 HD13 LEU 62 -3.697 23.916 0.023 1.00 24.44 ATOM 984 CD2 LEU 62 -3.092 25.825 -1.802 1.00 64.33 ATOM 985 HD21 LEU 62 -3.248 26.809 -2.222 1.00 23.14 ATOM 986 HD22 LEU 62 -2.510 25.228 -2.490 1.00 73.11 ATOM 987 HD23 LEU 62 -2.558 25.917 -0.866 1.00 51.14 ATOM 988 C LEU 62 -7.448 25.139 -4.059 1.00 44.41 ATOM 989 O LEU 62 -8.024 26.213 -4.255 1.00 0.14 ATOM 990 N ALA 63 -7.372 24.179 -4.983 1.00 40.33 ATOM 991 HN ALA 63 -6.858 23.365 -4.783 1.00 37.15 ATOM 992 CA ALA 63 -8.033 24.299 -6.287 1.00 41.41 ATOM 993 HA ALA 63 -7.585 25.132 -6.812 1.00 12.21 ATOM 994 CB ALA 63 -7.799 23.038 -7.110 1.00 71.42 ATOM 995 HB1 ALA 63 -8.267 22.196 -6.620 1.00 21.23 ATOM 996 HB2 ALA 63 -6.738 22.855 -7.199 1.00 24.25 ATOM 997 HB3 ALA 63 -8.226 23.161 -8.096 1.00 71.53 ATOM 998 C ALA 63 -9.537 24.559 -6.127 1.00 43.33 ATOM 999 O ALA 63 -10.125 25.361 -6.860 1.00 11.32 ATOM 1000 N LEU 64 -10.152 23.879 -5.162 1.00 44.14 ATOM 1001 HN LEU 64 -9.643 23.220 -4.645 1.00 37.15 ATOM 1002 CA LEU 64 -11.570 24.078 -4.860 1.00 50.54 ATOM 1003 HA LEU 64 -12.129 23.902 -5.769 1.00 54.54 ATOM 1004 CB LEU 64 -12.039 23.085 -3.789 1.00 31.33 ATOM 1005 HB1 LEU 64 -11.453 23.250 -2.895 1.00 37.15 ATOM 1006 HB2 LEU 64 -11.846 22.082 -4.147 1.00 43.31 ATOM 1007 CG LEU 64 -13.528 23.192 -3.417 1.00 51.43 ATOM 1008 HG LEU 64 -13.752 24.223 -3.175 1.00 64.23 ATOM 1009 CD1 LEU 64 -14.416 22.794 -4.596 1.00 1.15 ATOM 1010 HD11 LEU 64 -14.211 21.771 -4.876 1.00 32.20 ATOM 1011 HD12 LEU 64 -14.213 23.444 -5.436 1.00 44.23 ATOM 1012 HD13 LEU 64 -15.453 22.890 -4.313 1.00 11.11 ATOM 1013 CD2 LEU 64 -13.841 22.349 -2.185 1.00 42.20 ATOM 1014 HD21 LEU 64 -14.893 22.430 -1.949 1.00 72.14 ATOM 1015 HD22 LEU 64 -13.259 22.705 -1.348 1.00 54.32 ATOM 1016 HD23 LEU 64 -13.595 21.316 -2.380 1.00 50.42 ATOM 1017 C LEU 64 -11.842 25.514 -4.384 1.00 41.24 ATOM 1018 O LEU 64 -12.651 26.224 -4.975 1.00 74.44 ATOM 1019 N VAL 65 -11.148 25.932 -3.323 1.00 42.23 ATOM 1020 HN VAL 65 -10.489 25.326 -2.921 1.00 37.15 ATOM 1021 CA VAL 65 -11.334 27.269 -2.734 1.00 51.30 ATOM 1022 HA VAL 65 -12.335 27.311 -2.324 1.00 70.53 ATOM 1023 CB VAL 65 -10.328 27.505 -1.578 1.00 20.10 ATOM 1024 HB VAL 65 -9.329 27.437 -1.984 1.00 61.45 ATOM 1025 CG1 VAL 65 -10.493 28.898 -0.967 1.00 54.43 ATOM 1026 HG11 VAL 65 -11.502 29.015 -0.597 1.00 42.43 ATOM 1027 HG12 VAL 65 -10.297 29.651 -1.719 1.00 42.23 ATOM 1028 HG13 VAL 65 -9.796 29.019 -0.150 1.00 14.21 ATOM 1029 CG2 VAL 65 -10.478 26.424 -0.506 1.00 10.32 ATOM 1030 HG21 VAL 65 -11.480 26.454 -0.098 1.00 14.24 ATOM 1031 HG22 VAL 65 -9.764 26.596 0.286 1.00 11.54 ATOM 1032 HG23 VAL 65 -10.299 25.452 -0.944 1.00 51.13 ATOM 1033 C VAL 65 -11.184 28.385 -3.786 1.00 45.54 ATOM 1034 O VAL 65 -11.991 29.318 -3.840 1.00 42.41 ATOM 1035 N ARG 66 -10.159 28.269 -4.631 1.00 24.25 ATOM 1036 HN ARG 66 -9.530 27.524 -4.515 1.00 37.15 ATOM 1037 CA ARG 66 -9.940 29.224 -5.727 1.00 14.24 ATOM 1038 HA ARG 66 -9.800 30.203 -5.289 1.00 14.24 ATOM 1039 CB ARG 66 -8.672 28.849 -6.510 1.00 63.23 ATOM 1040 HB1 ARG 66 -8.625 29.453 -7.406 1.00 37.15 ATOM 1041 HB2 ARG 66 -8.732 27.807 -6.793 1.00 30.13 ATOM 1042 CG ARG 66 -7.378 29.059 -5.725 1.00 14.12 ATOM 1043 HG1 ARG 66 -7.460 28.550 -4.774 1.00 37.15 ATOM 1044 HG2 ARG 66 -7.242 30.117 -5.554 1.00 74.25 ATOM 1045 CD ARG 66 -6.159 28.520 -6.472 1.00 51.54 ATOM 1046 HD1 ARG 66 -6.234 27.442 -6.527 1.00 37.15 ATOM 1047 HD2 ARG 66 -5.270 28.787 -5.919 1.00 0.34 ATOM 1048 NE ARG 66 -6.050 29.058 -7.830 1.00 15.24 ATOM 1049 HE ARG 66 -6.713 29.720 -8.111 1.00 64.03 ATOM 1050 CZ ARG 66 -5.143 28.684 -8.697 1.00 52.31 ATOM 1051 NH1 ARG 66 -4.185 27.880 -8.352 1.00 45.22 ATOM 1052 HH11 ARG 66 -4.126 27.545 -7.414 1.00 22.13 ATOM 1053 HH12 ARG 66 -3.502 27.600 -9.024 1.00 71.41 ATOM 1054 NH2 ARG 66 -5.170 29.154 -9.899 1.00 52.14 ATOM 1055 HH21 ARG 66 -5.877 29.804 -10.164 1.00 1.42 ATOM 1056 HH22 ARG 66 -4.484 28.864 -10.562 1.00 62.41 ATOM 1057 C ARG 66 -11.148 29.281 -6.679 1.00 14.32 ATOM 1058 O ARG 66 -11.491 30.344 -7.202 1.00 71.34 ATOM 1059 N ASP 67 -11.789 28.135 -6.892 1.00 51.44 ATOM 1060 HN ASP 67 -11.469 27.321 -6.446 1.00 37.15 ATOM 1061 CA ASP 67 -12.954 28.053 -7.777 1.00 53.30 ATOM 1062 HA ASP 67 -12.785 28.728 -8.606 1.00 22.33 ATOM 1063 CB ASP 67 -13.090 26.625 -8.322 1.00 23.43 ATOM 1064 HB1 ASP 67 -13.482 25.982 -7.546 1.00 37.15 ATOM 1065 HB2 ASP 67 -12.113 26.266 -8.615 1.00 33.12 ATOM 1066 CG ASP 67 -14.009 26.548 -9.526 1.00 30.22 ATOM 1067 OD1 ASP 67 -13.552 26.854 -10.647 1.00 4.34 ATOM 1068 OD2 ASP 67 -15.183 26.169 -9.369 1.00 60.13 ATOM 1069 C ASP 67 -14.243 28.485 -7.050 1.00 30.51 ATOM 1070 O ASP 67 -15.168 29.024 -7.664 1.00 50.21 ATOM 1071 N ILE 68 -14.289 28.261 -5.735 1.00 25.44 ATOM 1072 HN ILE 68 -13.533 27.808 -5.306 1.00 37.15 ATOM 1073 CA ILE 68 -15.435 28.673 -4.916 1.00 60.43 ATOM 1074 HA ILE 68 -16.322 28.217 -5.341 1.00 13.12 ATOM 1075 CB ILE 68 -15.302 28.199 -3.441 1.00 0.31 ATOM 1076 HB ILE 68 -14.354 28.553 -3.061 1.00 32.02 ATOM 1077 CG1 ILE 68 -15.326 26.661 -3.363 1.00 75.12 ATOM 1078 HG11 ILE 68 -14.506 26.267 -3.947 1.00 37.15 ATOM 1079 HG12 ILE 68 -16.257 26.299 -3.773 1.00 45.25 ATOM 1080 CG2 ILE 68 -16.414 28.798 -2.571 1.00 11.22 ATOM 1081 HG21 ILE 68 -16.355 29.877 -2.600 1.00 40.43 ATOM 1082 HG22 ILE 68 -16.298 28.462 -1.551 1.00 52.21 ATOM 1083 HG23 ILE 68 -17.377 28.481 -2.945 1.00 65.14 ATOM 1084 CD1 ILE 68 -15.195 26.115 -1.955 1.00 54.20 ATOM 1085 HD11 ILE 68 -16.001 26.493 -1.342 1.00 44.24 ATOM 1086 HD12 ILE 68 -14.249 26.425 -1.534 1.00 55.34 ATOM 1087 HD13 ILE 68 -15.240 25.037 -1.982 1.00 40.41 ATOM 1088 C ILE 68 -15.608 30.197 -4.940 1.00 71.12 ATOM 1089 O ILE 68 -16.723 30.702 -5.054 1.00 75.15 ATOM 1090 N ARG 69 -14.496 30.931 -4.841 1.00 64.14 ATOM 1091 HN ARG 69 -13.634 30.480 -4.707 1.00 37.15 ATOM 1092 CA ARG 69 -14.538 32.397 -4.914 1.00 3.03 ATOM 1093 HA ARG 69 -15.216 32.742 -4.142 1.00 73.01 ATOM 1094 CB ARG 69 -13.144 32.997 -4.652 1.00 35.33 ATOM 1095 HB1 ARG 69 -12.478 32.693 -5.448 1.00 37.15 ATOM 1096 HB2 ARG 69 -12.768 32.610 -3.714 1.00 52.21 ATOM 1097 CG ARG 69 -13.138 34.523 -4.578 1.00 71.32 ATOM 1098 HG1 ARG 69 -13.915 34.843 -3.895 1.00 37.15 ATOM 1099 HG2 ARG 69 -13.344 34.917 -5.562 1.00 64.13 ATOM 1100 CD ARG 69 -11.797 35.084 -4.099 1.00 50.23 ATOM 1101 HD1 ARG 69 -11.564 34.648 -3.136 1.00 37.15 ATOM 1102 HD2 ARG 69 -11.891 36.155 -3.988 1.00 52.44 ATOM 1103 NE ARG 69 -10.700 34.796 -5.025 1.00 42.52 ATOM 1104 HE ARG 69 -10.593 33.876 -5.330 1.00 43.00 ATOM 1105 CZ ARG 69 -9.844 35.690 -5.447 1.00 32.05 ATOM 1106 NH1 ARG 69 -9.951 36.928 -5.087 1.00 25.23 ATOM 1107 HH11 ARG 69 -10.688 37.209 -4.475 1.00 1.44 ATOM 1108 HH12 ARG 69 -9.311 37.606 -5.440 1.00 34.33 ATOM 1109 NH2 ARG 69 -8.880 35.337 -6.230 1.00 35.12 ATOM 1110 HH21 ARG 69 -8.794 34.385 -6.511 1.00 32.32 ATOM 1111 HH22 ARG 69 -8.221 36.013 -6.548 1.00 33.32 ATOM 1112 C ARG 69 -15.081 32.862 -6.278 1.00 24.54 ATOM 1113 O ARG 69 -15.792 33.864 -6.369 1.00 64.34 ATOM 1114 N ARG 70 -14.756 32.115 -7.335 1.00 70.21 ATOM 1115 HN ARG 70 -14.166 31.344 -7.206 1.00 37.15 ATOM 1116 CA ARG 70 -15.254 32.411 -8.684 1.00 54.31 ATOM 1117 HA ARG 70 -14.956 33.422 -8.930 1.00 14.10 ATOM 1118 CB ARG 70 -14.624 31.446 -9.703 1.00 70.41 ATOM 1119 HB1 ARG 70 -14.781 30.433 -9.359 1.00 37.15 ATOM 1120 HB2 ARG 70 -13.561 31.634 -9.742 1.00 44.34 ATOM 1121 CG ARG 70 -15.178 31.551 -11.131 1.00 63.41 ATOM 1122 HG1 ARG 70 -16.242 31.347 -11.103 1.00 37.15 ATOM 1123 HG2 ARG 70 -14.692 30.809 -11.747 1.00 43.23 ATOM 1124 CD ARG 70 -14.955 32.927 -11.761 1.00 13.44 ATOM 1125 HD1 ARG 70 -15.105 32.845 -12.828 1.00 37.15 ATOM 1126 HD2 ARG 70 -13.939 33.239 -11.567 1.00 41.45 ATOM 1127 NE ARG 70 -15.870 33.939 -11.233 1.00 50.34 ATOM 1128 HE ARG 70 -16.709 33.628 -10.841 1.00 24.12 ATOM 1129 CZ ARG 70 -15.643 35.226 -11.255 1.00 21.13 ATOM 1130 NH1 ARG 70 -14.561 35.698 -11.785 1.00 41.11 ATOM 1131 HH11 ARG 70 -13.890 35.079 -12.188 1.00 60.44 ATOM 1132 HH12 ARG 70 -14.396 36.683 -11.786 1.00 64.43 ATOM 1133 NH2 ARG 70 -16.515 36.036 -10.750 1.00 15.30 ATOM 1134 HH21 ARG 70 -17.352 35.678 -10.352 1.00 25.25 ATOM 1135 HH22 ARG 70 -16.347 37.023 -10.761 1.00 14.12 ATOM 1136 C ARG 70 -16.788 32.321 -8.750 1.00 12.12 ATOM 1137 O ARG 70 -17.463 33.300 -9.080 1.00 0.11 ATOM 1138 N ARG 71 -17.335 31.147 -8.442 1.00 1.25 ATOM 1139 HN ARG 71 -16.750 30.402 -8.175 1.00 37.15 ATOM 1140 CA ARG 71 -18.790 30.938 -8.492 1.00 31.23 ATOM 1141 HA ARG 71 -19.134 31.258 -9.467 1.00 0.11 ATOM 1142 CB ARG 71 -19.121 29.451 -8.313 1.00 75.11 ATOM 1143 HB1 ARG 71 -20.182 29.311 -8.472 1.00 37.15 ATOM 1144 HB2 ARG 71 -18.878 29.160 -7.301 1.00 3.14 ATOM 1145 CG ARG 71 -18.367 28.530 -9.272 1.00 64.35 ATOM 1146 HG1 ARG 71 -17.309 28.606 -9.069 1.00 37.15 ATOM 1147 HG2 ARG 71 -18.560 28.845 -10.289 1.00 2.11 ATOM 1148 CD ARG 71 -18.795 27.072 -9.119 1.00 50.55 ATOM 1149 HD1 ARG 71 -19.806 26.965 -9.488 1.00 37.15 ATOM 1150 HD2 ARG 71 -18.765 26.807 -8.072 1.00 31.32 ATOM 1151 NE ARG 71 -17.920 26.164 -9.861 1.00 64.15 ATOM 1152 HE ARG 71 -17.012 26.474 -10.062 1.00 23.34 ATOM 1153 CZ ARG 71 -18.256 24.962 -10.237 1.00 25.20 ATOM 1154 NH1 ARG 71 -19.458 24.525 -10.047 1.00 12.11 ATOM 1155 HH11 ARG 71 -20.142 25.111 -9.619 1.00 54.52 ATOM 1156 HH12 ARG 71 -19.696 23.594 -10.313 1.00 53.22 ATOM 1157 NH2 ARG 71 -17.394 24.208 -10.838 1.00 24.32 ATOM 1158 HH21 ARG 71 -16.474 24.548 -11.011 1.00 73.54 ATOM 1159 HH22 ARG 71 -17.652 23.286 -11.125 1.00 72.54 ATOM 1160 C ARG 71 -19.510 31.766 -7.415 1.00 75.22 ATOM 1161 O ARG 71 -20.563 32.359 -7.666 1.00 31.00 ATOM 1162 N GLY 72 -18.917 31.809 -6.224 1.00 51.52 ATOM 1163 HN GLY 72 -18.077 31.324 -6.099 1.00 37.15 ATOM 1164 CA GLY 72 -19.483 32.559 -5.107 1.00 20.14 ATOM 1165 HA1 GLY 72 -18.836 32.440 -4.249 1.00 37.15 ATOM 1166 HA2 GLY 72 -20.453 32.146 -4.865 1.00 23.55 ATOM 1167 C GLY 72 -19.642 34.048 -5.403 1.00 4.01 ATOM 1168 O GLY 72 -20.672 34.644 -5.084 1.00 1.03 ATOM 1169 N LYS 73 -18.632 34.661 -6.022 1.00 4.44 ATOM 1170 HN LYS 73 -17.812 34.160 -6.225 1.00 37.15 ATOM 1171 CA LYS 73 -18.725 36.076 -6.387 1.00 35.20 ATOM 1172 HA LYS 73 -19.243 36.581 -5.581 1.00 51.21 ATOM 1173 CB LYS 73 -17.329 36.700 -6.529 1.00 25.22 ATOM 1174 HB1 LYS 73 -16.819 36.228 -7.358 1.00 37.15 ATOM 1175 HB2 LYS 73 -16.771 36.515 -5.622 1.00 61.40 ATOM 1176 CG LYS 73 -17.366 38.208 -6.779 1.00 4.42 ATOM 1177 HG1 LYS 73 -18.110 38.650 -6.129 1.00 37.15 ATOM 1178 HG2 LYS 73 -17.644 38.383 -7.808 1.00 44.21 ATOM 1179 CD LYS 73 -16.020 38.879 -6.512 1.00 24.14 ATOM 1180 HD1 LYS 73 -15.747 38.719 -5.476 1.00 37.15 ATOM 1181 HD2 LYS 73 -16.120 39.939 -6.694 1.00 23.25 ATOM 1182 CE LYS 73 -14.912 38.336 -7.404 1.00 12.33 ATOM 1183 HE1 LYS 73 -15.198 38.470 -8.437 1.00 37.15 ATOM 1184 HE2 LYS 73 -14.782 37.282 -7.200 1.00 13.33 ATOM 1185 NZ LYS 73 -13.624 39.042 -7.163 1.00 43.00 ATOM 1186 HZ1 LYS 73 -12.868 38.620 -7.741 1.00 62.11 ATOM 1187 HZ2 LYS 73 -13.360 38.975 -6.158 1.00 14.42 ATOM 1188 HZ3 LYS 73 -13.715 40.048 -7.413 1.00 12.24 ATOM 1189 C LYS 73 -19.547 36.270 -7.674 1.00 75.52 ATOM 1190 O LYS 73 -20.144 37.320 -7.882 1.00 32.42 ATOM 1191 N ASN 74 -19.596 35.245 -8.526 1.00 62.12 ATOM 1192 HN ASN 74 -19.080 34.436 -8.327 1.00 37.15 ATOM 1193 CA ASN 74 -20.407 35.295 -9.753 1.00 63.22 ATOM 1194 HA ASN 74 -20.108 36.171 -10.314 1.00 71.44 ATOM 1195 CB ASN 74 -20.151 34.042 -10.606 1.00 4.41 ATOM 1196 HB1 ASN 74 -20.456 33.165 -10.050 1.00 37.15 ATOM 1197 HB2 ASN 74 -19.094 33.971 -10.823 1.00 11.42 ATOM 1198 CG ASN 74 -20.904 34.059 -11.926 1.00 13.50 ATOM 1199 OD1 ASN 74 -21.163 35.110 -12.500 1.00 72.20 ATOM 1200 ND2 ASN 74 -21.257 32.890 -12.421 1.00 1.13 ATOM 1201 HD21 ASN 74 -21.021 32.083 -11.920 1.00 62.22 ATOM 1202 HD22 ASN 74 -21.731 32.880 -13.278 1.00 34.11 ATOM 1203 C ASN 74 -21.908 35.411 -9.416 1.00 1.23 ATOM 1204 O ASN 74 -22.620 36.262 -9.954 1.00 64.34 ATOM 1205 N LYS 75 -22.372 34.560 -8.501 1.00 10.11 ATOM 1206 HN LYS 75 -21.747 33.927 -8.084 1.00 37.15 ATOM 1207 CA LYS 75 -23.788 34.531 -8.107 1.00 24.33 ATOM 1208 HA LYS 75 -24.371 34.431 -9.012 1.00 75.12 ATOM 1209 CB LYS 75 -24.060 33.307 -7.213 1.00 1.24 ATOM 1210 HB1 LYS 75 -23.831 32.412 -7.773 1.00 37.15 ATOM 1211 HB2 LYS 75 -25.109 33.293 -6.950 1.00 54.44 ATOM 1212 CG LYS 75 -23.238 33.285 -5.924 1.00 34.44 ATOM 1213 HG1 LYS 75 -23.585 34.078 -5.275 1.00 37.15 ATOM 1214 HG2 LYS 75 -22.201 33.458 -6.172 1.00 22.44 ATOM 1215 CD LYS 75 -23.344 31.953 -5.178 1.00 34.23 ATOM 1216 HD1 LYS 75 -22.679 31.978 -4.326 1.00 37.15 ATOM 1217 HD2 LYS 75 -23.040 31.158 -5.843 1.00 34.52 ATOM 1218 CE LYS 75 -24.760 31.668 -4.689 1.00 5.03 ATOM 1219 HE1 LYS 75 -25.411 31.570 -5.544 1.00 37.15 ATOM 1220 HE2 LYS 75 -25.092 32.494 -4.077 1.00 11.51 ATOM 1221 NZ LYS 75 -24.827 30.416 -3.887 1.00 44.12 ATOM 1222 HZ1 LYS 75 -24.202 30.486 -3.055 1.00 51.31 ATOM 1223 HZ2 LYS 75 -24.521 29.605 -4.460 1.00 2.43 ATOM 1224 HZ3 LYS 75 -25.798 30.249 -3.561 1.00 2.55 ATOM 1225 C LYS 75 -24.226 35.824 -7.391 1.00 52.55 ATOM 1226 O LYS 75 -25.397 36.205 -7.454 1.00 32.22 ATOM 1227 N VAL 76 -23.299 36.501 -6.712 1.00 35.42 ATOM 1228 HN VAL 76 -22.373 36.175 -6.708 1.00 37.15 ATOM 1229 CA VAL 76 -23.644 37.721 -5.964 1.00 24.31 ATOM 1230 HA VAL 76 -24.706 37.674 -5.754 1.00 43.32 ATOM 1231 CB VAL 76 -22.904 37.795 -4.599 1.00 65.33 ATOM 1232 HB VAL 76 -23.129 36.890 -4.050 1.00 14.54 ATOM 1233 CG1 VAL 76 -21.389 37.858 -4.788 1.00 14.13 ATOM 1234 HG11 VAL 76 -20.906 37.871 -3.822 1.00 43.32 ATOM 1235 HG12 VAL 76 -21.127 38.755 -5.333 1.00 73.13 ATOM 1236 HG13 VAL 76 -21.059 36.992 -5.343 1.00 42.22 ATOM 1237 CG2 VAL 76 -23.402 38.985 -3.772 1.00 61.25 ATOM 1238 HG21 VAL 76 -22.898 38.995 -2.817 1.00 31.10 ATOM 1239 HG22 VAL 76 -24.468 38.896 -3.613 1.00 75.34 ATOM 1240 HG23 VAL 76 -23.195 39.908 -4.297 1.00 40.13 ATOM 1241 C VAL 76 -23.375 39.011 -6.766 1.00 24.32 ATOM 1242 O VAL 76 -24.198 39.922 -6.766 1.00 30.13 ATOM 1243 N ALA 77 -22.239 39.083 -7.459 1.00 54.12 ATOM 1244 HN ALA 77 -21.643 38.307 -7.477 1.00 37.15 ATOM 1245 CA ALA 77 -21.850 40.303 -8.192 1.00 53.41 ATOM 1246 HA ALA 77 -21.992 41.140 -7.522 1.00 2.33 ATOM 1247 CB ALA 77 -20.369 40.250 -8.555 1.00 24.41 ATOM 1248 HB1 ALA 77 -20.196 39.454 -9.265 1.00 72.21 ATOM 1249 HB2 ALA 77 -19.786 40.068 -7.663 1.00 11.13 ATOM 1250 HB3 ALA 77 -20.070 41.193 -8.992 1.00 50.41 ATOM 1251 C ALA 77 -22.704 40.540 -9.451 1.00 73.21 ATOM 1252 O ALA 77 -22.561 41.562 -10.126 1.00 11.12 ATOM 1253 N ALA 78 -23.585 39.595 -9.766 1.00 33.01 ATOM 1254 HN ALA 78 -23.631 38.787 -9.214 1.00 37.15 ATOM 1255 CA ALA 78 -24.470 39.715 -10.932 1.00 40.45 ATOM 1256 HA ALA 78 -23.886 40.116 -11.750 1.00 11.40 ATOM 1257 CB ALA 78 -24.973 38.337 -11.346 1.00 40.34 ATOM 1258 HB1 ALA 78 -25.562 38.422 -12.248 1.00 72.10 ATOM 1259 HB2 ALA 78 -25.583 37.922 -10.557 1.00 13.31 ATOM 1260 HB3 ALA 78 -24.130 37.685 -11.528 1.00 74.25 ATOM 1261 C ALA 78 -25.657 40.660 -10.667 1.00 63.15 ATOM 1262 O ALA 78 -26.140 41.337 -11.575 1.00 75.15 ATOM 1263 N GLN 79 -26.130 40.710 -9.421 1.00 74.44 ATOM 1264 HN GLN 79 -25.677 40.197 -8.718 1.00 37.15 ATOM 1265 CA GLN 79 -27.312 41.518 -9.080 1.00 33.31 ATOM 1266 HA GLN 79 -28.008 41.408 -9.899 1.00 64.22 ATOM 1267 CB GLN 79 -27.994 40.979 -7.803 1.00 61.20 ATOM 1268 HB1 GLN 79 -28.475 40.042 -8.045 1.00 37.15 ATOM 1269 HB2 GLN 79 -28.751 41.684 -7.491 1.00 63.42 ATOM 1270 CG GLN 79 -27.058 40.736 -6.618 1.00 75.33 ATOM 1271 HG1 GLN 79 -26.165 40.249 -6.982 1.00 37.15 ATOM 1272 HG2 GLN 79 -27.555 40.081 -5.917 1.00 61.31 ATOM 1273 CD GLN 79 -26.655 42.005 -5.879 1.00 3.41 ATOM 1274 OE1 GLN 79 -27.419 42.960 -5.795 1.00 4.04 ATOM 1275 NE2 GLN 79 -25.448 42.034 -5.359 1.00 44.22 ATOM 1276 HE21 GLN 79 -24.873 41.251 -5.478 1.00 40.24 ATOM 1277 HE22 GLN 79 -25.176 42.839 -4.868 1.00 44.40 ATOM 1278 C GLN 79 -26.984 43.019 -8.952 1.00 55.24 ATOM 1279 O GLN 79 -27.804 43.866 -9.307 1.00 74.54 ATOM 1280 N ASN 80 -25.781 43.343 -8.478 1.00 64.51 ATOM 1281 HN ASN 80 -25.149 42.626 -8.255 1.00 37.15 ATOM 1282 CA ASN 80 -25.376 44.746 -8.265 1.00 32.42 ATOM 1283 HA ASN 80 -26.266 45.310 -8.021 1.00 22.12 ATOM 1284 CB ASN 80 -24.407 44.828 -7.077 1.00 25.44 ATOM 1285 HB1 ASN 80 -24.926 44.527 -6.177 1.00 37.15 ATOM 1286 HB2 ASN 80 -24.066 45.848 -6.964 1.00 12.10 ATOM 1287 CG ASN 80 -23.195 43.931 -7.252 1.00 35.24 ATOM 1288 OD1 ASN 80 -23.231 42.756 -6.914 1.00 14.41 ATOM 1289 ND2 ASN 80 -22.113 44.474 -7.774 1.00 24.50 ATOM 1290 HD21 ASN 80 -22.137 45.422 -8.017 1.00 12.10 ATOM 1291 HD22 ASN 80 -21.329 43.901 -7.896 1.00 51.22 ATOM 1292 C ASN 80 -24.735 45.374 -9.517 1.00 62.01 ATOM 1293 O ASN 80 -24.131 46.448 -9.442 1.00 22.43 ATOM 1294 N TYR 81 -24.874 44.712 -10.663 1.00 64.20 ATOM 1295 HN TYR 81 -25.369 43.868 -10.668 1.00 37.15 ATOM 1296 CA TYR 81 -24.306 45.215 -11.921 1.00 0.05 ATOM 1297 HA TYR 81 -23.423 45.792 -11.678 1.00 43.25 ATOM 1298 CB TYR 81 -23.902 44.036 -12.820 1.00 12.54 ATOM 1299 HB1 TYR 81 -24.781 43.660 -13.326 1.00 37.15 ATOM 1300 HB2 TYR 81 -23.488 43.248 -12.207 1.00 74.41 ATOM 1301 CG TYR 81 -22.869 44.394 -13.878 1.00 44.20 ATOM 1302 CD1 TYR 81 -21.515 44.426 -13.562 1.00 23.15 ATOM 1303 HD1 TYR 81 -21.206 44.194 -12.554 1.00 42.20 ATOM 1304 CD2 TYR 81 -23.241 44.695 -15.185 1.00 72.43 ATOM 1305 HD2 TYR 81 -24.288 44.678 -15.451 1.00 34.32 ATOM 1306 CE1 TYR 81 -20.566 44.749 -14.511 1.00 1.12 ATOM 1307 HE1 TYR 81 -19.520 44.768 -14.244 1.00 40.41 ATOM 1308 CE2 TYR 81 -22.295 45.020 -16.140 1.00 20.20 ATOM 1309 HE2 TYR 81 -22.603 45.254 -17.150 1.00 42.15 ATOM 1310 CZ TYR 81 -20.959 45.044 -15.796 1.00 70.41 ATOM 1311 OH TYR 81 -20.010 45.361 -16.743 1.00 52.02 ATOM 1312 HH TYR 81 -19.239 44.787 -16.628 1.00 42.00 ATOM 1313 C TYR 81 -25.312 46.131 -12.652 1.00 31.52 ATOM 1314 O TYR 81 -26.525 46.010 -12.462 1.00 62.44 ATOM 1315 N ARG 82 -24.804 47.046 -13.481 1.00 21.51 ATOM 1316 HN ARG 82 -23.833 47.085 -13.608 1.00 37.15 ATOM 1317 CA ARG 82 -25.658 48.007 -14.201 1.00 42.52 ATOM 1318 HA ARG 82 -26.438 48.322 -13.520 1.00 0.53 ATOM 1319 CB ARG 82 -24.834 49.241 -14.599 1.00 72.35 ATOM 1320 HB1 ARG 82 -23.979 48.911 -15.174 1.00 37.15 ATOM 1321 HB2 ARG 82 -24.477 49.719 -13.699 1.00 13.30 ATOM 1322 CG ARG 82 -25.583 50.294 -15.426 1.00 54.33 ATOM 1323 HG1 ARG 82 -25.937 49.834 -16.338 1.00 37.15 ATOM 1324 HG2 ARG 82 -24.894 51.089 -15.675 1.00 71.44 ATOM 1325 CD ARG 82 -26.773 50.898 -14.680 1.00 41.20 ATOM 1326 HD1 ARG 82 -26.987 51.872 -15.098 1.00 37.15 ATOM 1327 HD2 ARG 82 -26.510 51.008 -13.637 1.00 45.10 ATOM 1328 NE ARG 82 -27.974 50.066 -14.779 1.00 14.33 ATOM 1329 HE ARG 82 -27.940 49.284 -15.366 1.00 21.20 ATOM 1330 CZ ARG 82 -29.093 50.311 -14.151 1.00 3.32 ATOM 1331 NH1 ARG 82 -29.199 51.315 -13.339 1.00 22.25 ATOM 1332 HH11 ARG 82 -28.420 51.916 -13.182 1.00 61.12 ATOM 1333 HH12 ARG 82 -30.065 51.484 -12.871 1.00 73.52 ATOM 1334 NH2 ARG 82 -30.112 49.541 -14.334 1.00 62.03 ATOM 1335 HH21 ARG 82 -30.044 48.763 -14.953 1.00 73.54 ATOM 1336 HH22 ARG 82 -30.967 49.727 -13.855 1.00 23.32 ATOM 1337 C ARG 82 -26.319 47.381 -15.441 1.00 63.22 ATOM 1338 O ARG 82 -27.543 47.255 -15.498 1.00 72.10 ATOM 1339 N LYS 83 -25.515 47.017 -16.441 1.00 42.25 ATOM 1340 HN LYS 83 -24.551 47.168 -16.360 1.00 37.15 ATOM 1341 CA LYS 83 -26.047 46.403 -17.665 1.00 41.04 ATOM 1342 HA LYS 83 -26.904 46.990 -17.970 1.00 2.12 ATOM 1343 CB LYS 83 -25.005 46.440 -18.794 1.00 1.12 ATOM 1344 HB1 LYS 83 -25.395 45.902 -19.648 1.00 37.15 ATOM 1345 HB2 LYS 83 -24.102 45.950 -18.453 1.00 60.13 ATOM 1346 CG LYS 83 -24.639 47.856 -19.246 1.00 43.11 ATOM 1347 HG1 LYS 83 -23.962 47.790 -20.088 1.00 37.15 ATOM 1348 HG2 LYS 83 -24.148 48.371 -18.431 1.00 51.20 ATOM 1349 CD LYS 83 -25.875 48.652 -19.663 1.00 74.31 ATOM 1350 HD1 LYS 83 -26.561 48.695 -18.828 1.00 37.15 ATOM 1351 HD2 LYS 83 -26.352 48.147 -20.491 1.00 31.00 ATOM 1352 CE LYS 83 -25.529 50.076 -20.090 1.00 44.55 ATOM 1353 HE1 LYS 83 -24.944 50.543 -19.308 1.00 37.15 ATOM 1354 HE2 LYS 83 -26.446 50.631 -20.230 1.00 41.14 ATOM 1355 NZ LYS 83 -24.753 50.111 -21.358 1.00 13.52 ATOM 1356 HZ1 LYS 83 -23.863 49.587 -21.250 1.00 54.24 ATOM 1357 HZ2 LYS 83 -24.534 51.093 -21.616 1.00 32.50 ATOM 1358 HZ3 LYS 83 -25.307 49.679 -22.126 1.00 20.05 ATOM 1359 C LYS 83 -26.521 44.962 -17.407 1.00 51.11 ATOM 1360 O LYS 83 -25.728 44.073 -17.093 1.00 50.34 ATOM 1361 N ARG 84 -27.823 44.746 -17.558 1.00 61.42 ATOM 1362 HN ARG 84 -28.376 45.461 -17.939 1.00 37.15 ATOM 1363 CA ARG 84 -28.460 43.478 -17.194 1.00 20.21 ATOM 1364 HA ARG 84 -27.870 43.013 -16.416 1.00 13.22 ATOM 1365 CB ARG 84 -29.866 43.768 -16.647 1.00 3.12 ATOM 1366 HB1 ARG 84 -30.462 44.202 -17.439 1.00 37.15 ATOM 1367 HB2 ARG 84 -29.784 44.490 -15.845 1.00 33.21 ATOM 1368 CG ARG 84 -30.607 42.543 -16.111 1.00 51.05 ATOM 1369 HG1 ARG 84 -30.679 41.806 -16.900 1.00 37.15 ATOM 1370 HG2 ARG 84 -31.601 42.839 -15.805 1.00 13.43 ATOM 1371 CD ARG 84 -29.888 41.921 -14.918 1.00 74.41 ATOM 1372 HD1 ARG 84 -28.972 41.460 -15.259 1.00 37.15 ATOM 1373 HD2 ARG 84 -30.528 41.166 -14.481 1.00 62.32 ATOM 1374 NE ARG 84 -29.569 42.918 -13.902 1.00 62.04 ATOM 1375 HE ARG 84 -29.766 43.852 -14.111 1.00 40.12 ATOM 1376 CZ ARG 84 -29.015 42.652 -12.755 1.00 64.24 ATOM 1377 NH1 ARG 84 -28.772 41.429 -12.404 1.00 14.22 ATOM 1378 HH11 ARG 84 -29.015 40.675 -13.016 1.00 64.14 ATOM 1379 HH12 ARG 84 -28.334 41.239 -11.534 1.00 53.41 ATOM 1380 NH2 ARG 84 -28.718 43.625 -11.952 1.00 13.43 ATOM 1381 HH21 ARG 84 -28.911 44.565 -12.225 1.00 30.11 ATOM 1382 HH22 ARG 84 -28.310 43.436 -11.063 1.00 65.11 ATOM 1383 C ARG 84 -28.565 42.517 -18.390 1.00 25.13 ATOM 1384 O ARG 84 -28.721 42.944 -19.538 1.00 2.12 ATOM 1385 N LYS 85 -28.476 41.216 -18.115 1.00 74.24 ATOM 1386 HN LYS 85 -28.182 40.938 -17.224 1.00 37.15 ATOM 1387 CA LYS 85 -28.794 40.195 -19.115 1.00 15.13 ATOM 1388 HA LYS 85 -28.258 40.435 -20.023 1.00 51.41 ATOM 1389 CB LYS 85 -28.360 38.805 -18.624 1.00 41.41 ATOM 1390 HB1 LYS 85 -28.710 38.062 -19.328 1.00 37.15 ATOM 1391 HB2 LYS 85 -28.822 38.618 -17.664 1.00 33.50 ATOM 1392 CG LYS 85 -26.845 38.641 -18.466 1.00 60.40 ATOM 1393 HG1 LYS 85 -26.645 37.707 -17.958 1.00 37.15 ATOM 1394 HG2 LYS 85 -26.467 39.460 -17.871 1.00 54.43 ATOM 1395 CD LYS 85 -26.121 38.638 -19.815 1.00 10.40 ATOM 1396 HD1 LYS 85 -25.056 38.563 -19.644 1.00 37.15 ATOM 1397 HD2 LYS 85 -26.337 39.564 -20.328 1.00 24.24 ATOM 1398 CE LYS 85 -26.562 37.477 -20.701 1.00 61.35 ATOM 1399 HE1 LYS 85 -26.002 37.513 -21.626 1.00 37.15 ATOM 1400 HE2 LYS 85 -27.614 37.584 -20.919 1.00 13.30 ATOM 1401 NZ LYS 85 -26.337 36.159 -20.052 1.00 53.42 ATOM 1402 HZ1 LYS 85 -26.719 35.394 -20.649 1.00 44.34 ATOM 1403 HZ2 LYS 85 -26.808 36.126 -19.128 1.00 23.54 ATOM 1404 HZ3 LYS 85 -25.320 35.995 -19.913 1.00 60.43 ATOM 1405 C LYS 85 -30.302 40.210 -19.409 1.00 24.24 ATOM 1406 O LYS 85 -31.067 39.412 -18.859 1.00 71.23 ATOM 1407 N LEU 86 -30.725 41.155 -20.246 1.00 21.30 ATOM 1408 HN LEU 86 -30.063 41.736 -20.677 1.00 37.15 ATOM 1409 CA LEU 86 -32.149 41.360 -20.536 1.00 42.14 ATOM 1410 HA LEU 86 -32.680 41.248 -19.599 1.00 22.23 ATOM 1411 CB LEU 86 -32.386 42.796 -21.051 1.00 5.41 ATOM 1412 HB1 LEU 86 -32.289 43.470 -20.210 1.00 37.15 ATOM 1413 HB2 LEU 86 -33.403 42.860 -21.416 1.00 5.21 ATOM 1414 CG LEU 86 -31.439 43.289 -22.171 1.00 2.55 ATOM 1415 HG LEU 86 -30.425 43.018 -21.909 1.00 63.34 ATOM 1416 CD1 LEU 86 -31.755 42.628 -23.514 1.00 11.40 ATOM 1417 HD11 LEU 86 -32.779 42.839 -23.791 1.00 3.42 ATOM 1418 HD12 LEU 86 -31.618 41.560 -23.433 1.00 52.14 ATOM 1419 HD13 LEU 86 -31.090 43.017 -24.272 1.00 55.12 ATOM 1420 CD2 LEU 86 -31.495 44.812 -22.288 1.00 3.04 ATOM 1421 HD21 LEU 86 -31.228 45.257 -21.340 1.00 11.21 ATOM 1422 HD22 LEU 86 -32.494 45.119 -22.560 1.00 50.41 ATOM 1423 HD23 LEU 86 -30.799 45.141 -23.047 1.00 21.43 ATOM 1424 C LEU 86 -32.708 40.319 -21.517 1.00 60.41 ATOM 1425 O LEU 86 -31.967 39.524 -22.100 1.00 2.44 ATOM 1426 N GLU 87 -34.023 40.344 -21.701 1.00 24.12 ATOM 1427 HN GLU 87 -34.549 41.048 -21.265 1.00 37.15 ATOM 1428 CA GLU 87 -34.716 39.357 -22.531 1.00 3.12 ATOM 1429 HA GLU 87 -33.987 38.889 -23.178 1.00 73.41 ATOM 1430 CB GLU 87 -35.357 38.278 -21.637 1.00 42.20 ATOM 1431 HB1 GLU 87 -34.586 37.838 -21.019 1.00 37.15 ATOM 1432 HB2 GLU 87 -35.775 37.506 -22.269 1.00 4.11 ATOM 1433 CG GLU 87 -36.470 38.796 -20.718 1.00 14.22 ATOM 1434 HG1 GLU 87 -36.918 37.952 -20.211 1.00 37.15 ATOM 1435 HG2 GLU 87 -37.221 39.279 -21.327 1.00 3.12 ATOM 1436 CD GLU 87 -35.982 39.792 -19.669 1.00 45.31 ATOM 1437 OE1 GLU 87 -35.471 39.354 -18.614 1.00 31.21 ATOM 1438 OE2 GLU 87 -36.106 41.018 -19.890 1.00 22.53 ATOM 1439 C GLU 87 -35.798 40.015 -23.403 1.00 53.11 ATOM 1440 O GLU 87 -36.032 41.223 -23.322 1.00 30.15 ATOM 1441 N THR 88 -36.447 39.213 -24.240 1.00 75.23 ATOM 1442 HN THR 88 -36.158 38.280 -24.319 1.00 37.15 ATOM 1443 CA THR 88 -37.575 39.681 -25.055 1.00 63.44 ATOM 1444 HA THR 88 -38.151 40.372 -24.452 1.00 1.35 ATOM 1445 CB THR 88 -37.104 40.435 -26.330 1.00 71.32 ATOM 1446 HB THR 88 -36.600 41.341 -26.020 1.00 32.11 ATOM 1447 OG1 THR 88 -38.236 40.796 -27.140 1.00 61.31 ATOM 1448 HG1 THR 88 -38.041 40.605 -28.069 1.00 74.02 ATOM 1449 CG2 THR 88 -36.128 39.600 -27.155 1.00 14.42 ATOM 1450 HG21 THR 88 -35.268 39.348 -26.551 1.00 25.02 ATOM 1451 HG22 THR 88 -35.807 40.166 -28.018 1.00 64.01 ATOM 1452 HG23 THR 88 -36.615 38.693 -27.482 1.00 72.34 ATOM 1453 C THR 88 -38.486 38.512 -25.453 1.00 2.43 ATOM 1454 O THR 88 -38.065 37.583 -26.149 1.00 62.50 ATOM 1455 N ILE 89 -39.727 38.539 -24.978 1.00 24.33 ATOM 1456 HN ILE 89 -40.001 39.288 -24.404 1.00 37.15 ATOM 1457 CA ILE 89 -40.693 37.477 -25.280 1.00 24.31 ATOM 1458 HA ILE 89 -40.164 36.534 -25.257 1.00 64.42 ATOM 1459 CB ILE 89 -41.822 37.418 -24.217 1.00 2.41 ATOM 1460 HB ILE 89 -42.498 36.619 -24.492 1.00 34.40 ATOM 1461 CG1 ILE 89 -42.605 38.742 -24.181 1.00 43.22 ATOM 1462 HG11 ILE 89 -42.982 38.958 -25.171 1.00 37.15 ATOM 1463 HG12 ILE 89 -41.945 39.540 -23.875 1.00 11.11 ATOM 1464 CG2 ILE 89 -41.242 37.086 -22.839 1.00 43.55 ATOM 1465 HG21 ILE 89 -40.736 36.132 -22.881 1.00 72.43 ATOM 1466 HG22 ILE 89 -42.043 37.033 -22.115 1.00 22.32 ATOM 1467 HG23 ILE 89 -40.541 37.853 -22.543 1.00 3.35 ATOM 1468 CD1 ILE 89 -43.786 38.728 -23.231 1.00 41.32 ATOM 1469 HD11 ILE 89 -44.304 39.673 -23.287 1.00 11.03 ATOM 1470 HD12 ILE 89 -43.434 38.570 -22.222 1.00 1.41 ATOM 1471 HD13 ILE 89 -44.461 37.930 -23.507 1.00 52.13 ATOM 1472 C ILE 89 -41.319 37.653 -26.674 1.00 71.03 ATOM 1473 O ILE 89 -41.358 38.760 -27.219 1.00 22.33 ATOM 1474 N VAL 90 -41.816 36.556 -27.242 1.00 12.45 ATOM 1475 HN VAL 90 -41.778 35.707 -26.752 1.00 37.15 ATOM 1476 CA VAL 90 -42.425 36.585 -28.576 1.00 64.13 ATOM 1477 HA VAL 90 -41.782 37.174 -29.218 1.00 22.32 ATOM 1478 CB VAL 90 -42.532 35.155 -29.172 1.00 22.23 ATOM 1479 HB VAL 90 -41.580 34.663 -29.019 1.00 44.33 ATOM 1480 CG1 VAL 90 -43.596 34.331 -28.449 1.00 21.03 ATOM 1481 HG11 VAL 90 -43.644 33.343 -28.883 1.00 24.41 ATOM 1482 HG12 VAL 90 -44.558 34.815 -28.547 1.00 32.35 ATOM 1483 HG13 VAL 90 -43.340 34.250 -27.403 1.00 33.14 ATOM 1484 CG2 VAL 90 -42.797 35.205 -30.678 1.00 70.11 ATOM 1485 HG21 VAL 90 -43.736 35.708 -30.864 1.00 11.22 ATOM 1486 HG22 VAL 90 -42.844 34.200 -31.070 1.00 11.41 ATOM 1487 HG23 VAL 90 -41.997 35.744 -31.166 1.00 64.23 ATOM 1488 C VAL 90 -43.818 37.245 -28.535 1.00 21.04 ATOM 1489 O VAL 90 -44.408 37.409 -27.465 1.00 12.12 ATOM 1490 N GLN 91 -44.326 37.645 -29.695 1.00 45.12 ATOM 1491 HN GLN 91 -43.809 37.511 -30.514 1.00 37.15 ATOM 1492 HA GLN 91 -45.833 38.793 -28.853 1.00 71.51 ATOM 1493 CB GLN 91 -45.654 39.311 -30.922 1.00 22.44 ATOM 1494 HB1 GLN 91 -45.492 38.799 -31.859 1.00 37.15 ATOM 1495 HB2 GLN 91 -44.842 40.010 -30.761 1.00 14.22 ATOM 1496 CG GLN 91 -46.952 40.109 -31.030 1.00 51.34 ATOM 1497 HG1 GLN 91 -47.157 40.570 -30.074 1.00 37.15 ATOM 1498 HG2 GLN 91 -47.755 39.431 -31.280 1.00 41.31 ATOM 1499 CD GLN 91 -46.890 41.197 -32.089 1.00 43.44 ATOM 1500 OE1 GLN 91 -45.833 41.756 -32.365 1.00 0.20 ATOM 1501 NE2 GLN 91 -48.021 41.506 -32.692 1.00 0.24 ATOM 1502 HE21 GLN 91 -48.832 41.020 -32.433 1.00 53.22 ATOM 1503 HE22 GLN 91 -48.005 42.210 -33.371 1.00 11.11 ATOM 1504 CA GLN 91 -45.648 38.278 -29.786 1.00 4.13 ATOM 1505 C GLN 91 -46.760 37.231 -30.002 1.00 53.15 ATOM 1506 OT1 GLN 91 -47.710 37.172 -29.181 1.00 37.15 ATOM 1507 OT2 GLN 91 -46.675 36.464 -30.987 1.00 37.15 ATOM 1508 OH2 TIP3 1 -39.206 29.552 -27.113 1.00 0.00 WAT1 ATOM 1509 H1 TIP3 1 -39.872 28.854 -27.123 1.00 0.00 WAT1 ATOM 1510 H2 TIP3 1 -39.542 30.215 -27.757 1.00 0.00 WAT1 ATOM 1511 OH2 TIP3 2 -45.975 29.276 -32.283 1.00 0.00 WAT1 ATOM 1512 H1 TIP3 2 -45.462 29.513 -33.092 1.00 0.00 WAT1 ATOM 1513 H2 TIP3 2 -46.414 30.117 -32.021 1.00 0.00 WAT1 ATOM 1514 OH2 TIP3 3 -42.006 29.160 -33.136 1.00 0.00 WAT1 ATOM 1515 H1 TIP3 3 -41.909 30.108 -33.366 1.00 0.00 WAT1 ATOM 1516 H2 TIP3 3 -41.112 28.903 -32.809 1.00 0.00 WAT1 ATOM 1517 OH2 TIP3 4 -45.214 25.860 -30.532 1.00 0.00 WAT1 ATOM 1518 H1 TIP3 4 -44.769 25.031 -30.724 1.00 0.00 WAT1 ATOM 1519 H2 TIP3 4 -44.533 26.545 -30.702 1.00 0.00 WAT1 ATOM 1520 OH2 TIP3 5 -39.445 28.866 -32.236 1.00 0.00 WAT1 ATOM 1521 H1 TIP3 5 -38.997 29.390 -31.536 1.00 0.00 WAT1 ATOM 1522 H2 TIP3 5 -38.724 28.476 -32.736 1.00 0.00 WAT1 ATOM 1523 OH2 TIP3 6 -41.847 31.897 -30.819 1.00 0.00 WAT1 ATOM 1524 H1 TIP3 6 -42.813 31.911 -30.648 1.00 0.00 WAT1 ATOM 1525 H2 TIP3 6 -41.782 31.757 -31.788 1.00 0.00 WAT1 ATOM 1526 OH2 TIP3 7 -44.444 29.127 -34.519 1.00 0.00 WAT1 ATOM 1527 H1 TIP3 7 -44.462 28.559 -35.317 1.00 0.00 WAT1 ATOM 1528 H2 TIP3 7 -43.531 29.034 -34.176 1.00 0.00 WAT1 ATOM 1529 OH2 TIP3 8 -49.659 30.082 -29.005 1.00 0.00 WAT1 ATOM 1530 H1 TIP3 8 -48.856 29.626 -28.692 1.00 0.00 WAT1 ATOM 1531 H2 TIP3 8 -49.762 29.780 -29.929 1.00 0.00 WAT1 ATOM 1532 OH2 TIP3 9 -47.358 27.539 -30.666 1.00 0.00 WAT1 ATOM 1533 H1 TIP3 9 -46.814 26.729 -30.547 1.00 0.00 WAT1 ATOM 1534 H2 TIP3 9 -46.814 28.105 -31.251 1.00 0.00 WAT1 ATOM 1535 OH2 TIP3 10 -47.229 27.972 -34.486 1.00 0.00 WAT1 ATOM 1536 H1 TIP3 10 -46.931 28.273 -33.611 1.00 0.00 WAT1 ATOM 1537 H2 TIP3 10 -46.499 28.210 -35.077 1.00 0.00 WAT1 ATOM 1538 OH2 TIP3 11 -44.666 31.929 -30.789 1.00 0.00 WAT1 ATOM 1539 H1 TIP3 11 -44.715 32.810 -31.229 1.00 0.00 WAT1 ATOM 1540 H2 TIP3 11 -45.601 31.638 -30.755 1.00 0.00 WAT1 ATOM 1541 OH2 TIP3 12 -44.505 29.681 -29.176 1.00 0.00 WAT1 ATOM 1542 H1 TIP3 12 -44.468 30.483 -29.740 1.00 0.00 WAT1 ATOM 1543 H2 TIP3 12 -44.104 28.981 -29.730 1.00 0.00 WAT1 ATOM 1544 OH2 TIP3 13 -44.406 31.021 -26.785 1.00 0.00 WAT1 ATOM 1545 H1 TIP3 13 -44.382 30.484 -27.603 1.00 0.00 WAT1 ATOM 1546 H2 TIP3 13 -45.358 31.204 -26.648 1.00 0.00 WAT1 ATOM 1547 OH2 TIP3 14 -47.488 32.437 -22.410 1.00 0.00 WAT1 ATOM 1548 H1 TIP3 14 -48.310 32.795 -22.766 1.00 0.00 WAT1 ATOM 1549 H2 TIP3 14 -47.637 32.418 -21.439 1.00 0.00 WAT1 ATOM 1550 OH2 TIP3 15 -37.861 32.198 -22.434 1.00 0.00 WAT1 ATOM 1551 H1 TIP3 15 -38.754 32.009 -22.804 1.00 0.00 WAT1 ATOM 1552 H2 TIP3 15 -37.960 32.032 -21.487 1.00 0.00 WAT1 ATOM 1553 OH2 TIP3 16 -47.117 29.040 -28.388 1.00 0.00 WAT1 ATOM 1554 H1 TIP3 16 -46.169 29.218 -28.559 1.00 0.00 WAT1 ATOM 1555 H2 TIP3 16 -47.349 28.351 -29.043 1.00 0.00 WAT1 ATOM 1556 OH2 TIP3 17 -43.707 28.048 -31.278 1.00 0.00 WAT1 ATOM 1557 H1 TIP3 17 -42.969 28.330 -31.862 1.00 0.00 WAT1 ATOM 1558 H2 TIP3 17 -44.499 28.448 -31.689 1.00 0.00 WAT1 ATOM 1559 OH2 TIP3 18 -47.199 31.267 -26.771 1.00 0.00 WAT1 ATOM 1560 H1 TIP3 18 -47.268 30.383 -27.192 1.00 0.00 WAT1 ATOM 1561 H2 TIP3 18 -47.932 31.780 -27.176 1.00 0.00 WAT1 ATOM 1562 OH2 TIP3 19 -45.688 40.246 -38.979 1.00 0.00 WAT1 ATOM 1563 H1 TIP3 19 -46.229 39.432 -39.031 1.00 0.00 WAT1 ATOM 1564 H2 TIP3 19 -45.585 40.403 -38.019 1.00 0.00 WAT1 ATOM 1565 OH2 TIP3 20 -54.114 42.053 -32.894 1.00 0.00 WAT1 ATOM 1566 H1 TIP3 20 -54.572 42.248 -33.743 1.00 0.00 WAT1 ATOM 1567 H2 TIP3 20 -53.437 41.378 -33.138 1.00 0.00 WAT1 ATOM 1568 OH2 TIP3 21 -40.092 31.583 -28.727 1.00 0.00 WAT1 ATOM 1569 H1 TIP3 21 -40.783 31.660 -29.428 1.00 0.00 WAT1 ATOM 1570 H2 TIP3 21 -39.996 32.485 -28.389 1.00 0.00 WAT1 ATOM 1571 OH2 TIP3 22 -52.474 37.653 -33.293 1.00 0.00 WAT1 ATOM 1572 H1 TIP3 22 -52.396 37.461 -32.346 1.00 0.00 WAT1 ATOM 1573 H2 TIP3 22 -52.508 38.627 -33.340 1.00 0.00 WAT1 ATOM 1574 OH2 TIP3 23 -41.437 33.423 -36.497 1.00 0.00 WAT1 ATOM 1575 H1 TIP3 23 -41.459 33.042 -37.378 1.00 0.00 WAT1 ATOM 1576 H2 TIP3 23 -41.258 34.383 -36.654 1.00 0.00 WAT1 ATOM 1577 OH2 TIP3 24 -50.997 40.841 -36.089 1.00 0.00 WAT1 ATOM 1578 H1 TIP3 24 -50.029 40.705 -36.017 1.00 0.00 WAT1 ATOM 1579 H2 TIP3 24 -51.287 40.158 -36.731 1.00 0.00 WAT1 ATOM 1580 OH2 TIP3 25 -50.977 37.607 -35.650 1.00 0.00 WAT1 ATOM 1581 H1 TIP3 25 -51.604 37.500 -34.903 1.00 0.00 WAT1 ATOM 1582 H2 TIP3 25 -51.524 37.962 -36.376 1.00 0.00 WAT1 ATOM 1583 OH2 TIP3 26 -50.055 44.589 -37.057 1.00 0.00 WAT1 ATOM 1584 H1 TIP3 26 -49.276 44.523 -36.466 1.00 0.00 WAT1 ATOM 1585 H2 TIP3 26 -50.305 45.542 -37.014 1.00 0.00 WAT1 ATOM 1586 OH2 TIP3 27 -49.748 43.738 -33.403 1.00 0.00 WAT1 ATOM 1587 H1 TIP3 27 -49.361 43.867 -34.290 1.00 0.00 WAT1 ATOM 1588 H2 TIP3 27 -50.701 43.981 -33.517 1.00 0.00 WAT1 ATOM 1589 OH2 TIP3 28 -39.876 33.735 -34.267 1.00 0.00 WAT1 ATOM 1590 H1 TIP3 28 -40.377 33.548 -35.093 1.00 0.00 WAT1 ATOM 1591 H2 TIP3 28 -39.425 34.581 -34.453 1.00 0.00 WAT1 ATOM 1592 OH2 TIP3 29 -53.061 42.574 -30.461 1.00 0.00 WAT1 ATOM 1593 H1 TIP3 29 -52.114 42.495 -30.738 1.00 0.00 WAT1 ATOM 1594 H2 TIP3 29 -53.555 42.625 -31.310 1.00 0.00 WAT1 ATOM 1595 OH2 TIP3 30 -45.411 40.546 -36.242 1.00 0.00 WAT1 ATOM 1596 H1 TIP3 30 -44.933 41.091 -35.594 1.00 0.00 WAT1 ATOM 1597 H2 TIP3 30 -44.991 39.662 -36.157 1.00 0.00 WAT1 ATOM 1598 OH2 TIP3 31 -49.904 27.888 -33.864 1.00 0.00 WAT1 ATOM 1599 H1 TIP3 31 -48.979 27.890 -34.196 1.00 0.00 WAT1 ATOM 1600 H2 TIP3 31 -50.335 27.195 -34.367 1.00 0.00 WAT1 ATOM 1601 OH2 TIP3 32 -48.794 47.645 -34.346 1.00 0.00 WAT1 ATOM 1602 H1 TIP3 32 -48.478 46.897 -33.794 1.00 0.00 WAT1 ATOM 1603 H2 TIP3 32 -48.433 48.423 -33.915 1.00 0.00 WAT1 ATOM 1604 OH2 TIP3 33 -47.894 44.379 -35.380 1.00 0.00 WAT1 ATOM 1605 H1 TIP3 33 -47.130 44.295 -35.979 1.00 0.00 WAT1 ATOM 1606 H2 TIP3 33 -47.547 44.881 -34.617 1.00 0.00 WAT1 ATOM 1607 OH2 TIP3 34 -41.157 40.529 -29.138 1.00 0.00 WAT1 ATOM 1608 H1 TIP3 34 -41.277 39.958 -28.341 1.00 0.00 WAT1 ATOM 1609 H2 TIP3 34 -41.367 41.439 -28.813 1.00 0.00 WAT1 ATOM 1610 OH2 TIP3 35 -48.181 40.523 -36.235 1.00 0.00 WAT1 ATOM 1611 H1 TIP3 35 -48.335 41.213 -36.917 1.00 0.00 WAT1 ATOM 1612 H2 TIP3 35 -47.213 40.551 -36.084 1.00 0.00 WAT1 ATOM 1613 OH2 TIP3 36 -41.996 40.700 -31.829 1.00 0.00 WAT1 ATOM 1614 H1 TIP3 36 -41.913 40.835 -30.864 1.00 0.00 WAT1 ATOM 1615 H2 TIP3 36 -41.422 41.394 -32.217 1.00 0.00 WAT1 ATOM 1616 OH2 TIP3 37 -45.019 42.674 -39.950 1.00 0.00 WAT1 ATOM 1617 H1 TIP3 37 -45.256 41.753 -39.682 1.00 0.00 WAT1 ATOM 1618 H2 TIP3 37 -44.624 42.570 -40.820 1.00 0.00 WAT1 ATOM 1619 OH2 TIP3 38 -52.298 43.207 -36.346 1.00 0.00 WAT1 ATOM 1620 H1 TIP3 38 -51.609 43.777 -36.752 1.00 0.00 WAT1 ATOM 1621 H2 TIP3 38 -51.858 42.331 -36.260 1.00 0.00 WAT1 ATOM 1622 OH2 TIP3 39 -52.390 44.141 -33.736 1.00 0.00 WAT1 ATOM 1623 H1 TIP3 39 -52.482 43.978 -34.694 1.00 0.00 WAT1 ATOM 1624 H2 TIP3 39 -53.052 43.557 -33.331 1.00 0.00 WAT1 ATOM 1625 OH2 TIP3 40 -46.100 36.902 -34.988 1.00 0.00 WAT1 ATOM 1626 H1 TIP3 40 -46.908 37.222 -35.440 1.00 0.00 WAT1 ATOM 1627 H2 TIP3 40 -46.334 36.000 -34.693 1.00 0.00 WAT1 ATOM 1628 OH2 TIP3 41 -44.108 43.407 -31.099 1.00 0.00 WAT1 ATOM 1629 H1 TIP3 41 -44.501 43.305 -30.201 1.00 0.00 WAT1 ATOM 1630 H2 TIP3 41 -44.703 42.888 -31.677 1.00 0.00 WAT1 ATOM 1631 OH2 TIP3 42 -51.942 44.393 -28.745 1.00 0.00 WAT1 ATOM 1632 H1 TIP3 42 -52.485 45.181 -28.834 1.00 0.00 WAT1 ATOM 1633 H2 TIP3 42 -52.403 43.719 -29.291 1.00 0.00 WAT1 ATOM 1634 OH2 TIP3 43 -53.836 39.971 -30.358 1.00 0.00 WAT1 ATOM 1635 H1 TIP3 43 -54.524 39.956 -31.036 1.00 0.00 WAT1 ATOM 1636 H2 TIP3 43 -53.509 40.900 -30.372 1.00 0.00 WAT1 ATOM 1637 OH2 TIP3 44 -50.443 47.222 -36.478 1.00 0.00 WAT1 ATOM 1638 H1 TIP3 44 -49.840 47.357 -35.711 1.00 0.00 WAT1 ATOM 1639 H2 TIP3 44 -50.938 48.041 -36.535 1.00 0.00 WAT1 ATOM 1640 OH2 TIP3 45 -41.793 46.181 -28.363 1.00 0.00 WAT1 ATOM 1641 H1 TIP3 45 -42.519 46.301 -29.012 1.00 0.00 WAT1 ATOM 1642 H2 TIP3 45 -42.202 45.678 -27.643 1.00 0.00 WAT1 ATOM 1643 OH2 TIP3 46 -49.284 43.833 -28.969 1.00 0.00 WAT1 ATOM 1644 H1 TIP3 46 -50.214 44.130 -28.820 1.00 0.00 WAT1 ATOM 1645 H2 TIP3 46 -49.063 43.339 -28.170 1.00 0.00 WAT1 ATOM 1646 OH2 TIP3 47 -49.264 29.276 -31.570 1.00 0.00 WAT1 ATOM 1647 H1 TIP3 47 -48.720 28.529 -31.239 1.00 0.00 WAT1 ATOM 1648 H2 TIP3 47 -49.686 28.919 -32.383 1.00 0.00 WAT1 ATOM 1649 OH2 TIP3 48 -52.133 40.410 -33.646 1.00 0.00 WAT1 ATOM 1650 H1 TIP3 48 -51.874 40.622 -34.568 1.00 0.00 WAT1 ATOM 1651 H2 TIP3 48 -51.287 40.144 -33.219 1.00 0.00 WAT1 ATOM 1652 OH2 TIP3 49 -51.802 38.993 -37.964 1.00 0.00 WAT1 ATOM 1653 H1 TIP3 49 -52.445 38.921 -38.676 1.00 0.00 WAT1 ATOM 1654 H2 TIP3 49 -50.962 39.245 -38.422 1.00 0.00 WAT1 ATOM 1655 OH2 TIP3 50 -48.344 37.816 -36.290 1.00 0.00 WAT1 ATOM 1656 H1 TIP3 50 -48.342 38.795 -36.203 1.00 0.00 WAT1 ATOM 1657 H2 TIP3 50 -49.274 37.560 -36.078 1.00 0.00 WAT1 ATOM 1658 OH2 TIP3 51 -43.850 40.724 -33.815 1.00 0.00 WAT1 ATOM 1659 H1 TIP3 51 -43.142 40.651 -33.139 1.00 0.00 WAT1 ATOM 1660 H2 TIP3 51 -44.602 41.117 -33.327 1.00 0.00 WAT1 ATOM 1661 OH2 TIP3 52 -47.344 38.030 -38.844 1.00 0.00 WAT1 ATOM 1662 H1 TIP3 52 -47.127 37.151 -39.172 1.00 0.00 WAT1 ATOM 1663 H2 TIP3 52 -47.668 37.872 -37.928 1.00 0.00 WAT1 ATOM 1664 OH2 TIP3 53 -45.512 34.197 -32.014 1.00 0.00 WAT1 ATOM 1665 H1 TIP3 53 -45.952 34.214 -32.884 1.00 0.00 WAT1 ATOM 1666 H2 TIP3 53 -45.825 35.022 -31.573 1.00 0.00 WAT1 ATOM 1667 OH2 TIP3 54 -48.758 35.600 -32.372 1.00 0.00 WAT1 ATOM 1668 H1 TIP3 54 -49.481 36.191 -32.084 1.00 0.00 WAT1 ATOM 1669 H2 TIP3 54 -47.952 35.974 -31.924 1.00 0.00 WAT1 ATOM 1670 OH2 TIP3 55 -54.812 42.715 -35.461 1.00 0.00 WAT1 ATOM 1671 H1 TIP3 55 -55.450 42.909 -36.152 1.00 0.00 WAT1 ATOM 1672 H2 TIP3 55 -53.943 42.931 -35.868 1.00 0.00 WAT1 ATOM 1673 OH2 TIP3 56 -50.439 42.461 -31.089 1.00 0.00 WAT1 ATOM 1674 H1 TIP3 56 -50.113 42.851 -31.928 1.00 0.00 WAT1 ATOM 1675 H2 TIP3 56 -49.876 42.866 -30.402 1.00 0.00 WAT1 ATOM 1676 OH2 TIP3 57 -38.528 40.784 -30.023 1.00 0.00 WAT1 ATOM 1677 H1 TIP3 57 -38.568 40.958 -30.980 1.00 0.00 WAT1 ATOM 1678 H2 TIP3 57 -39.465 40.764 -29.743 1.00 0.00 WAT1 ATOM 1679 OH2 TIP3 58 -48.609 42.431 -38.111 1.00 0.00 WAT1 ATOM 1680 H1 TIP3 58 -47.780 42.953 -38.150 1.00 0.00 WAT1 ATOM 1681 H2 TIP3 58 -49.303 43.101 -37.941 1.00 0.00 WAT1 ATOM 1682 OH2 TIP3 59 -47.070 44.981 -30.147 1.00 0.00 WAT1 ATOM 1683 H1 TIP3 59 -47.933 44.692 -29.782 1.00 0.00 WAT1 ATOM 1684 H2 TIP3 59 -46.413 44.476 -29.626 1.00 0.00 WAT1 ATOM 1685 OH2 TIP3 60 -41.628 43.050 -28.428 1.00 0.00 WAT1 ATOM 1686 H1 TIP3 60 -41.509 43.542 -29.267 1.00 0.00 WAT1 ATOM 1687 H2 TIP3 60 -42.307 43.562 -27.943 1.00 0.00 WAT1 ATOM 1688 OH2 TIP3 61 -46.376 44.069 -38.015 1.00 0.00 WAT1 ATOM 1689 H1 TIP3 61 -46.440 44.918 -38.464 1.00 0.00 WAT1 ATOM 1690 H2 TIP3 61 -45.777 43.537 -38.592 1.00 0.00 WAT1 ATOM 1691 OH2 TIP3 62 -49.485 39.893 -39.016 1.00 0.00 WAT1 ATOM 1692 H1 TIP3 62 -48.679 39.353 -39.119 1.00 0.00 WAT1 ATOM 1693 H2 TIP3 62 -49.151 40.801 -38.872 1.00 0.00 WAT1 ATOM 1694 OH2 TIP3 63 -44.031 45.987 -29.953 1.00 0.00 WAT1 ATOM 1695 H1 TIP3 63 -44.007 45.203 -30.530 1.00 0.00 WAT1 ATOM 1696 H2 TIP3 63 -44.963 46.237 -29.935 1.00 0.00 WAT1 ATOM 1697 OH2 TIP3 64 -45.303 43.419 -28.655 1.00 0.00 WAT1 ATOM 1698 H1 TIP3 64 -45.794 42.655 -28.260 1.00 0.00 WAT1 ATOM 1699 H2 TIP3 64 -44.644 43.656 -27.972 1.00 0.00 WAT1 ATOM 1700 OH2 TIP3 65 -48.163 39.095 -27.288 1.00 0.00 WAT1 ATOM 1701 H1 TIP3 65 -49.110 39.062 -27.049 1.00 0.00 WAT1 ATOM 1702 H2 TIP3 65 -48.072 38.432 -28.014 1.00 0.00 WAT1 ATOM 1703 OH2 TIP3 66 -49.802 39.253 -32.959 1.00 0.00 WAT1 ATOM 1704 H1 TIP3 66 -49.802 38.675 -32.159 1.00 0.00 WAT1 ATOM 1705 H2 TIP3 66 -49.514 38.669 -33.672 1.00 0.00 WAT1 ATOM 1706 OH2 TIP3 67 -49.890 37.587 -30.880 1.00 0.00 WAT1 ATOM 1707 H1 TIP3 67 -50.744 37.478 -30.407 1.00 0.00 WAT1 ATOM 1708 H2 TIP3 67 -49.208 37.437 -30.187 1.00 0.00 WAT1 ATOM 1709 OH2 TIP3 68 -47.181 34.468 -34.223 1.00 0.00 WAT1 ATOM 1710 H1 TIP3 68 -47.862 34.904 -33.655 1.00 0.00 WAT1 ATOM 1711 H2 TIP3 68 -47.636 33.704 -34.591 1.00 0.00 WAT1 ATOM 1712 OH2 TIP3 69 -52.523 37.539 -30.144 1.00 0.00 WAT1 ATOM 1713 H1 TIP3 69 -52.703 37.272 -29.234 1.00 0.00 WAT1 ATOM 1714 H2 TIP3 69 -52.970 38.406 -30.234 1.00 0.00 WAT1 ATOM 1715 OH2 TIP3 70 -48.204 33.994 -30.145 1.00 0.00 WAT1 ATOM 1716 H1 TIP3 70 -47.707 34.748 -29.776 1.00 0.00 WAT1 ATOM 1717 H2 TIP3 70 -48.586 34.347 -30.971 1.00 0.00 WAT1 ATOM 1718 OH2 TIP3 71 -49.239 32.551 -28.055 1.00 0.00 WAT1 ATOM 1719 H1 TIP3 71 -49.594 31.706 -28.423 1.00 0.00 WAT1 ATOM 1720 H2 TIP3 71 -48.950 33.056 -28.847 1.00 0.00 WAT1 ATOM 1721 OH2 TIP3 72 -47.070 33.423 -25.060 1.00 0.00 WAT1 ATOM 1722 H1 TIP3 72 -47.014 32.624 -25.628 1.00 0.00 WAT1 ATOM 1723 H2 TIP3 72 -46.930 33.083 -24.157 1.00 0.00 WAT1 ATOM 1724 OH2 TIP3 73 -44.354 40.023 -26.631 1.00 0.00 WAT1 ATOM 1725 H1 TIP3 73 -44.226 39.088 -26.873 1.00 0.00 WAT1 ATOM 1726 H2 TIP3 73 -43.715 40.176 -25.926 1.00 0.00 WAT1 ATOM 1727 OH2 TIP3 74 -41.831 38.310 -37.231 1.00 0.00 WAT1 ATOM 1728 H1 TIP3 74 -42.535 38.312 -36.544 1.00 0.00 WAT1 ATOM 1729 H2 TIP3 74 -42.221 38.784 -37.970 1.00 0.00 WAT1 ATOM 1730 OH2 TIP3 75 -41.377 43.910 -31.053 1.00 0.00 WAT1 ATOM 1731 H1 TIP3 75 -40.991 43.567 -31.885 1.00 0.00 WAT1 ATOM 1732 H2 TIP3 75 -42.346 43.818 -31.184 1.00 0.00 WAT1 ATOM 1733 OH2 TIP3 76 -39.516 45.400 -29.595 1.00 0.00 WAT1 ATOM 1734 H1 TIP3 76 -40.221 45.786 -29.022 1.00 0.00 WAT1 ATOM 1735 H2 TIP3 76 -40.013 44.881 -30.259 1.00 0.00 WAT1 ATOM 1736 OH2 TIP3 77 -43.906 38.418 -35.447 1.00 0.00 WAT1 ATOM 1737 H1 TIP3 77 -43.837 38.991 -34.659 1.00 0.00 WAT1 ATOM 1738 H2 TIP3 77 -44.607 37.762 -35.211 1.00 0.00 WAT1 ATOM 1739 OH2 TIP3 78 -40.515 35.943 -36.802 1.00 0.00 WAT1 ATOM 1740 H1 TIP3 78 -40.935 36.811 -36.998 1.00 0.00 WAT1 ATOM 1741 H2 TIP3 78 -39.789 36.163 -36.189 1.00 0.00 WAT1 ATOM 1742 OH2 TIP3 79 -38.472 36.147 -34.871 1.00 0.00 WAT1 ATOM 1743 H1 TIP3 79 -37.869 36.842 -35.183 1.00 0.00 WAT1 ATOM 1744 H2 TIP3 79 -38.246 36.045 -33.926 1.00 0.00 WAT1 ATOM 1745 OH2 TIP3 80 -37.752 31.899 -26.311 1.00 0.00 WAT1 ATOM 1746 H1 TIP3 80 -38.237 31.052 -26.313 1.00 0.00 WAT1 ATOM 1747 H2 TIP3 80 -38.450 32.576 -26.144 1.00 0.00 WAT1 ATOM 1748 OH2 TIP3 81 -47.849 45.580 -32.770 1.00 0.00 WAT1 ATOM 1749 H1 TIP3 81 -47.441 45.470 -31.882 1.00 0.00 WAT1 ATOM 1750 H2 TIP3 81 -48.631 44.991 -32.746 1.00 0.00 WAT1 ATOM 1751 OH2 TIP3 82 -47.370 31.430 -31.192 1.00 0.00 WAT1 ATOM 1752 H1 TIP3 82 -48.183 30.886 -31.228 1.00 0.00 WAT1 ATOM 1753 H2 TIP3 82 -47.676 32.299 -30.858 1.00 0.00 WAT1 ATOM 1754 OH2 TIP3 83 -41.776 31.876 -33.572 1.00 0.00 WAT1 ATOM 1755 H1 TIP3 83 -40.995 32.426 -33.793 1.00 0.00 WAT1 ATOM 1756 H2 TIP3 83 -42.463 32.191 -34.179 1.00 0.00 WAT1 ATOM 1757 OH2 TIP3 84 -45.044 27.441 -36.613 1.00 0.00 WAT1 ATOM 1758 H1 TIP3 84 -45.635 26.686 -36.505 1.00 0.00 WAT1 ATOM 1759 H2 TIP3 84 -44.747 27.382 -37.527 1.00 0.00 WAT1 ATOM 1760 OH2 TIP3 85 -44.188 39.206 -20.000 1.00 0.00 WAT1 ATOM 1761 H1 TIP3 85 -44.903 38.589 -20.272 1.00 0.00 WAT1 ATOM 1762 H2 TIP3 85 -44.602 40.091 -20.074 1.00 0.00 WAT1 ATOM 1763 OH2 TIP3 86 -42.485 41.388 -18.318 1.00 0.00 WAT1 ATOM 1764 H1 TIP3 86 -41.634 41.572 -17.872 1.00 0.00 WAT1 ATOM 1765 H2 TIP3 86 -42.223 40.994 -19.168 1.00 0.00 WAT1 ATOM 1766 OH2 TIP3 87 -43.250 35.331 -20.489 1.00 0.00 WAT1 ATOM 1767 H1 TIP3 87 -42.726 34.540 -20.690 1.00 0.00 WAT1 ATOM 1768 H2 TIP3 87 -43.935 35.351 -21.190 1.00 0.00 WAT1 ATOM 1769 OH2 TIP3 88 -45.758 41.419 -20.457 1.00 0.00 WAT1 ATOM 1770 H1 TIP3 88 -46.652 41.090 -20.697 1.00 0.00 WAT1 ATOM 1771 H2 TIP3 88 -45.823 41.623 -19.497 1.00 0.00 WAT1 ATOM 1772 OH2 TIP3 89 -42.810 31.526 -21.232 1.00 0.00 WAT1 ATOM 1773 H1 TIP3 89 -42.956 30.815 -20.600 1.00 0.00 WAT1 ATOM 1774 H2 TIP3 89 -42.297 32.198 -20.724 1.00 0.00 WAT1 ATOM 1775 OH2 TIP3 90 -45.180 41.737 -17.799 1.00 0.00 WAT1 ATOM 1776 H1 TIP3 90 -45.237 41.413 -16.899 1.00 0.00 WAT1 ATOM 1777 H2 TIP3 90 -44.224 41.662 -18.022 1.00 0.00 WAT1 ATOM 1778 OH2 TIP3 91 -47.626 37.531 -23.358 1.00 0.00 WAT1 ATOM 1779 H1 TIP3 91 -48.334 38.148 -23.642 1.00 0.00 WAT1 ATOM 1780 H2 TIP3 91 -47.130 37.344 -24.184 1.00 0.00 WAT1 ATOM 1781 OH2 TIP3 92 -45.120 35.055 -22.457 1.00 0.00 WAT1 ATOM 1782 H1 TIP3 92 -44.990 34.099 -22.660 1.00 0.00 WAT1 ATOM 1783 H2 TIP3 92 -45.095 35.484 -23.332 1.00 0.00 WAT1 ATOM 1784 OH2 TIP3 93 -42.153 31.527 -25.395 1.00 0.00 WAT1 ATOM 1785 H1 TIP3 93 -43.077 31.345 -25.699 1.00 0.00 WAT1 ATOM 1786 H2 TIP3 93 -41.609 31.297 -26.154 1.00 0.00 WAT1 ATOM 1787 OH2 TIP3 94 -42.908 43.291 -24.486 1.00 0.00 WAT1 ATOM 1788 H1 TIP3 94 -43.510 43.068 -23.739 1.00 0.00 WAT1 ATOM 1789 H2 TIP3 94 -42.010 43.229 -24.098 1.00 0.00 WAT1 ATOM 1790 OH2 TIP3 95 -44.962 35.210 -25.197 1.00 0.00 WAT1 ATOM 1791 H1 TIP3 95 -45.648 34.507 -25.248 1.00 0.00 WAT1 ATOM 1792 H2 TIP3 95 -45.422 36.011 -25.515 1.00 0.00 WAT1 ATOM 1793 OH2 TIP3 96 -46.467 37.822 -20.870 1.00 0.00 WAT1 ATOM 1794 H1 TIP3 96 -46.705 37.674 -21.811 1.00 0.00 WAT1 ATOM 1795 H2 TIP3 96 -46.627 36.950 -20.444 1.00 0.00 WAT1 ATOM 1796 OH2 TIP3 97 -49.597 36.404 -21.698 1.00 0.00 WAT1 ATOM 1797 H1 TIP3 97 -48.750 36.608 -22.138 1.00 0.00 WAT1 ATOM 1798 H2 TIP3 97 -50.252 36.883 -22.216 1.00 0.00 WAT1 ATOM 1799 OH2 TIP3 98 -49.418 34.469 -26.148 1.00 0.00 WAT1 ATOM 1800 H1 TIP3 98 -48.595 34.287 -25.655 1.00 0.00 WAT1 ATOM 1801 H2 TIP3 98 -49.487 33.721 -26.780 1.00 0.00 WAT1 ATOM 1802 OH2 TIP3 99 -52.861 39.861 -27.796 1.00 0.00 WAT1 ATOM 1803 H1 TIP3 99 -53.204 39.834 -28.713 1.00 0.00 WAT1 ATOM 1804 H2 TIP3 99 -53.276 40.639 -27.413 1.00 0.00 WAT1 ATOM 1805 OH2 TIP3 100 -48.002 40.091 -21.390 1.00 0.00 WAT1 ATOM 1806 H1 TIP3 100 -48.508 39.765 -22.146 1.00 0.00 WAT1 ATOM 1807 H2 TIP3 100 -47.529 39.299 -21.061 1.00 0.00 WAT1 ATOM 1808 OH2 TIP3 101 -44.616 42.917 -22.406 1.00 0.00 WAT1 ATOM 1809 H1 TIP3 101 -44.949 42.191 -21.832 1.00 0.00 WAT1 ATOM 1810 H2 TIP3 101 -44.911 43.716 -21.963 1.00 0.00 WAT1 ATOM 1811 OH2 TIP3 102 -38.312 46.339 -19.482 1.00 0.00 WAT1 ATOM 1812 H1 TIP3 102 -38.932 45.624 -19.672 1.00 0.00 WAT1 ATOM 1813 H2 TIP3 102 -37.657 46.293 -20.222 1.00 0.00 WAT1 ATOM 1814 OH2 TIP3 103 -46.434 37.478 -25.862 1.00 0.00 WAT1 ATOM 1815 H1 TIP3 103 -47.109 38.084 -26.233 1.00 0.00 WAT1 ATOM 1816 H2 TIP3 103 -45.725 37.473 -26.540 1.00 0.00 WAT1 ATOM 1817 OH2 TIP3 104 -46.787 35.166 -20.262 1.00 0.00 WAT1 ATOM 1818 H1 TIP3 104 -46.229 35.050 -21.059 1.00 0.00 WAT1 ATOM 1819 H2 TIP3 104 -47.057 34.264 -20.027 1.00 0.00 WAT1 ATOM 1820 OH2 TIP3 105 -49.773 34.778 -19.534 1.00 0.00 WAT1 ATOM 1821 H1 TIP3 105 -49.478 35.419 -18.881 1.00 0.00 WAT1 ATOM 1822 H2 TIP3 105 -49.772 35.284 -20.382 1.00 0.00 WAT1 ATOM 1823 OH2 TIP3 106 -40.974 39.224 -15.844 1.00 0.00 WAT1 ATOM 1824 H1 TIP3 106 -40.730 40.061 -16.306 1.00 0.00 WAT1 ATOM 1825 H2 TIP3 106 -41.935 39.182 -15.924 1.00 0.00 WAT1 ATOM 1826 OH2 TIP3 107 -43.435 44.419 -26.835 1.00 0.00 WAT1 ATOM 1827 H1 TIP3 107 -44.050 45.093 -26.526 1.00 0.00 WAT1 ATOM 1828 H2 TIP3 107 -43.181 43.928 -26.008 1.00 0.00 WAT1 ATOM 1829 OH2 TIP3 108 -49.665 39.288 -23.883 1.00 0.00 WAT1 ATOM 1830 H1 TIP3 108 -49.802 40.241 -23.856 1.00 0.00 WAT1 ATOM 1831 H2 TIP3 108 -50.102 39.007 -24.722 1.00 0.00 WAT1 ATOM 1832 OH2 TIP3 109 -46.529 41.270 -27.586 1.00 0.00 WAT1 ATOM 1833 H1 TIP3 109 -45.728 40.853 -27.191 1.00 0.00 WAT1 ATOM 1834 H2 TIP3 109 -47.217 40.576 -27.513 1.00 0.00 WAT1 ATOM 1835 OH2 TIP3 110 -50.797 38.764 -26.345 1.00 0.00 WAT1 ATOM 1836 H1 TIP3 110 -51.540 39.148 -26.863 1.00 0.00 WAT1 ATOM 1837 H2 TIP3 110 -50.633 37.890 -26.774 1.00 0.00 WAT1 ATOM 1838 OH2 TIP3 111 -49.947 36.604 -27.721 1.00 0.00 WAT1 ATOM 1839 H1 TIP3 111 -49.102 36.626 -28.224 1.00 0.00 WAT1 ATOM 1840 H2 TIP3 111 -49.851 35.820 -27.129 1.00 0.00 WAT1 ATOM 1841 OH2 TIP3 112 -40.067 40.642 -22.866 1.00 0.00 WAT1 ATOM 1842 H1 TIP3 112 -40.157 41.599 -23.051 1.00 0.00 WAT1 ATOM 1843 H2 TIP3 112 -40.584 40.506 -22.046 1.00 0.00 WAT1 ATOM 1844 OH2 TIP3 113 -41.557 39.884 -20.600 1.00 0.00 WAT1 ATOM 1845 H1 TIP3 113 -42.514 39.682 -20.613 1.00 0.00 WAT1 ATOM 1846 H2 TIP3 113 -41.147 39.056 -20.306 1.00 0.00 WAT1 ATOM 1847 OH2 TIP3 114 -42.202 37.423 -19.167 1.00 0.00 WAT1 ATOM 1848 H1 TIP3 114 -42.541 36.632 -19.650 1.00 0.00 WAT1 ATOM 1849 H2 TIP3 114 -42.925 38.078 -19.250 1.00 0.00 WAT1 ATOM 1850 OH2 TIP3 115 -40.045 41.462 -17.072 1.00 0.00 WAT1 ATOM 1851 H1 TIP3 115 -39.787 42.307 -16.637 1.00 0.00 WAT1 ATOM 1852 H2 TIP3 115 -39.187 41.019 -17.254 1.00 0.00 WAT1 ATOM 1853 OH2 TIP3 116 -40.572 31.676 -23.093 1.00 0.00 WAT1 ATOM 1854 H1 TIP3 116 -41.280 31.595 -22.432 1.00 0.00 WAT1 ATOM 1855 H2 TIP3 116 -41.042 31.623 -23.950 1.00 0.00 WAT1 ATOM 1856 OH2 TIP3 117 -41.373 33.337 -19.780 1.00 0.00 WAT1 ATOM 1857 H1 TIP3 117 -40.402 33.457 -19.906 1.00 0.00 WAT1 ATOM 1858 H2 TIP3 117 -41.584 33.911 -19.032 1.00 0.00 WAT1 ATOM 1859 OH2 TIP3 118 -44.761 32.469 -23.004 1.00 0.00 WAT1 ATOM 1860 H1 TIP3 118 -44.095 31.985 -22.475 1.00 0.00 WAT1 ATOM 1861 H2 TIP3 118 -45.615 32.096 -22.718 1.00 0.00 WAT1 ATOM 1862 OH2 TIP3 119 -48.127 32.654 -19.774 1.00 0.00 WAT1 ATOM 1863 H1 TIP3 119 -48.355 32.038 -19.072 1.00 0.00 WAT1 ATOM 1864 H2 TIP3 119 -48.811 33.366 -19.703 1.00 0.00 WAT1 ATOM 1865 OH2 TIP3 120 -20.768 -14.438 5.238 1.00 0.00 WAT1 ATOM 1866 H1 TIP3 120 -21.697 -14.631 4.978 1.00 0.00 WAT1 ATOM 1867 H2 TIP3 120 -20.284 -14.411 4.389 1.00 0.00 WAT1 ATOM 1868 OH2 TIP3 121 -22.697 -18.358 7.966 1.00 0.00 WAT1 ATOM 1869 H1 TIP3 121 -21.897 -18.263 8.522 1.00 0.00 WAT1 ATOM 1870 H2 TIP3 121 -22.734 -19.311 7.758 1.00 0.00 WAT1 ATOM 1871 OH2 TIP3 122 -20.228 -11.906 3.617 1.00 0.00 WAT1 ATOM 1872 H1 TIP3 122 -19.864 -12.737 3.247 1.00 0.00 WAT1 ATOM 1873 H2 TIP3 122 -21.148 -11.868 3.260 1.00 0.00 WAT1 ATOM 1874 OH2 TIP3 123 -23.736 -17.735 5.484 1.00 0.00 WAT1 ATOM 1875 H1 TIP3 123 -23.521 -16.797 5.336 1.00 0.00 WAT1 ATOM 1876 H2 TIP3 123 -23.328 -17.938 6.349 1.00 0.00 WAT1 ATOM 1877 OH2 TIP3 124 -24.605 -16.763 9.001 1.00 0.00 WAT1 ATOM 1878 H1 TIP3 124 -23.994 -17.350 8.501 1.00 0.00 WAT1 ATOM 1879 H2 TIP3 124 -24.202 -15.876 8.922 1.00 0.00 WAT1 ATOM 1880 OH2 TIP3 125 -24.986 -12.811 4.376 1.00 0.00 WAT1 ATOM 1881 H1 TIP3 125 -25.004 -12.025 4.967 1.00 0.00 WAT1 ATOM 1882 H2 TIP3 125 -25.917 -13.072 4.308 1.00 0.00 WAT1 ATOM 1883 OH2 TIP3 126 -30.294 -11.942 5.534 1.00 0.00 WAT1 ATOM 1884 H1 TIP3 126 -31.155 -11.831 5.942 1.00 0.00 WAT1 ATOM 1885 H2 TIP3 126 -30.495 -12.056 4.578 1.00 0.00 WAT1 ATOM 1886 OH2 TIP3 127 -25.954 -21.767 7.102 1.00 0.00 WAT1 ATOM 1887 H1 TIP3 127 -26.044 -21.879 8.053 1.00 0.00 WAT1 ATOM 1888 H2 TIP3 127 -26.790 -22.084 6.744 1.00 0.00 WAT1 ATOM 1889 OH2 TIP3 128 -28.102 -14.688 7.507 1.00 0.00 WAT1 ATOM 1890 H1 TIP3 128 -29.004 -14.986 7.279 1.00 0.00 WAT1 ATOM 1891 H2 TIP3 128 -27.627 -15.518 7.712 1.00 0.00 WAT1 ATOM 1892 OH2 TIP3 129 -23.341 -6.088 12.144 1.00 0.00 WAT1 ATOM 1893 H1 TIP3 129 -23.393 -5.110 12.235 1.00 0.00 WAT1 ATOM 1894 H2 TIP3 129 -23.318 -6.409 13.075 1.00 0.00 WAT1 ATOM 1895 OH2 TIP3 130 -29.871 -16.846 7.398 1.00 0.00 WAT1 ATOM 1896 H1 TIP3 130 -30.370 -17.650 7.242 1.00 0.00 WAT1 ATOM 1897 H2 TIP3 130 -29.031 -17.154 7.787 1.00 0.00 WAT1 ATOM 1898 OH2 TIP3 131 -24.376 -17.097 2.890 1.00 0.00 WAT1 ATOM 1899 H1 TIP3 131 -24.814 -17.746 2.334 1.00 0.00 WAT1 ATOM 1900 H2 TIP3 131 -24.225 -17.567 3.736 1.00 0.00 WAT1 ATOM 1901 OH2 TIP3 132 -23.331 -15.049 4.412 1.00 0.00 WAT1 ATOM 1902 H1 TIP3 132 -23.660 -15.628 3.687 1.00 0.00 WAT1 ATOM 1903 H2 TIP3 132 -23.933 -14.276 4.392 1.00 0.00 WAT1 ATOM 1904 OH2 TIP3 133 -22.799 -12.087 2.776 1.00 0.00 WAT1 ATOM 1905 H1 TIP3 133 -23.191 -12.177 1.902 1.00 0.00 WAT1 ATOM 1906 H2 TIP3 133 -23.526 -12.322 3.389 1.00 0.00 WAT1 ATOM 1907 OH2 TIP3 134 -27.673 -12.355 6.119 1.00 0.00 WAT1 ATOM 1908 H1 TIP3 134 -28.597 -12.106 5.882 1.00 0.00 WAT1 ATOM 1909 H2 TIP3 134 -27.775 -13.193 6.618 1.00 0.00 WAT1 ATOM 1910 OH2 TIP3 135 -27.472 -13.980 10.077 1.00 0.00 WAT1 ATOM 1911 H1 TIP3 135 -27.816 -14.795 10.506 1.00 0.00 WAT1 ATOM 1912 H2 TIP3 135 -27.724 -14.085 9.133 1.00 0.00 WAT1 ATOM 1913 OH2 TIP3 136 -28.077 -16.416 11.250 1.00 0.00 WAT1 ATOM 1914 H1 TIP3 136 -28.766 -16.736 11.844 1.00 0.00 WAT1 ATOM 1915 H2 TIP3 136 -27.235 -16.604 11.732 1.00 0.00 WAT1 ATOM 1916 OH2 TIP3 137 -23.479 -8.612 6.554 1.00 0.00 WAT1 ATOM 1917 H1 TIP3 137 -24.018 -8.952 5.820 1.00 0.00 WAT1 ATOM 1918 H2 TIP3 137 -23.783 -9.129 7.327 1.00 0.00 WAT1 ATOM 1919 OH2 TIP3 138 -23.642 -6.251 8.067 1.00 0.00 WAT1 ATOM 1920 H1 TIP3 138 -24.070 -6.677 8.843 1.00 0.00 WAT1 ATOM 1921 H2 TIP3 138 -23.448 -6.996 7.464 1.00 0.00 WAT1 ATOM 1922 OH2 TIP3 139 -20.658 -10.925 6.168 1.00 0.00 WAT1 ATOM 1923 H1 TIP3 139 -20.695 -11.203 5.231 1.00 0.00 WAT1 ATOM 1924 H2 TIP3 139 -20.695 -9.950 6.130 1.00 0.00 WAT1 ATOM 1925 OH2 TIP3 140 -18.126 -16.519 10.412 1.00 0.00 WAT1 ATOM 1926 H1 TIP3 140 -17.721 -16.390 9.521 1.00 0.00 WAT1 ATOM 1927 H2 TIP3 140 -17.364 -16.750 10.983 1.00 0.00 WAT1 ATOM 1928 OH2 TIP3 141 -20.467 -17.632 9.570 1.00 0.00 WAT1 ATOM 1929 H1 TIP3 141 -20.059 -17.933 8.728 1.00 0.00 WAT1 ATOM 1930 H2 TIP3 141 -19.725 -17.196 10.045 1.00 0.00 WAT1 ATOM 1931 OH2 TIP3 142 -25.495 -10.750 6.157 1.00 0.00 WAT1 ATOM 1932 H1 TIP3 142 -26.366 -11.218 6.142 1.00 0.00 WAT1 ATOM 1933 H2 TIP3 142 -25.408 -10.442 7.076 1.00 0.00 WAT1 ATOM 1934 OH2 TIP3 143 -24.696 -1.831 8.452 1.00 0.00 WAT1 ATOM 1935 H1 TIP3 143 -24.915 -2.654 7.956 1.00 0.00 WAT1 ATOM 1936 H2 TIP3 143 -25.400 -1.220 8.216 1.00 0.00 WAT1 ATOM 1937 OH2 TIP3 144 -31.048 -12.192 2.936 1.00 0.00 WAT1 ATOM 1938 H1 TIP3 144 -31.186 -11.437 2.356 1.00 0.00 WAT1 ATOM 1939 H2 TIP3 144 -31.283 -12.954 2.398 1.00 0.00 WAT1 ATOM 1940 OH2 TIP3 145 -24.824 -9.773 8.713 1.00 0.00 WAT1 ATOM 1941 H1 TIP3 145 -25.450 -10.359 9.198 1.00 0.00 WAT1 ATOM 1942 H2 TIP3 145 -24.869 -8.921 9.202 1.00 0.00 WAT1 ATOM 1943 OH2 TIP3 146 -25.637 -16.664 12.411 1.00 0.00 WAT1 ATOM 1944 H1 TIP3 146 -25.477 -15.701 12.389 1.00 0.00 WAT1 ATOM 1945 H2 TIP3 146 -24.768 -17.053 12.232 1.00 0.00 WAT1 ATOM 1946 OH2 TIP3 147 -21.290 -12.155 12.314 1.00 0.00 WAT1 ATOM 1947 H1 TIP3 147 -21.691 -13.048 12.301 1.00 0.00 WAT1 ATOM 1948 H2 TIP3 147 -21.629 -11.754 13.139 1.00 0.00 WAT1 ATOM 1949 OH2 TIP3 148 -22.142 -9.688 10.134 1.00 0.00 WAT1 ATOM 1950 H1 TIP3 148 -22.863 -9.699 9.488 1.00 0.00 WAT1 ATOM 1951 H2 TIP3 148 -22.396 -10.372 10.780 1.00 0.00 WAT1 ATOM 1952 OH2 TIP3 149 -24.054 -11.362 11.258 1.00 0.00 WAT1 ATOM 1953 H1 TIP3 149 -23.720 -12.267 11.346 1.00 0.00 WAT1 ATOM 1954 H2 TIP3 149 -24.956 -11.475 10.887 1.00 0.00 WAT1 ATOM 1955 OH2 TIP3 150 -25.958 -11.790 13.785 1.00 0.00 WAT1 ATOM 1956 H1 TIP3 150 -25.409 -10.994 13.652 1.00 0.00 WAT1 ATOM 1957 H2 TIP3 150 -25.499 -12.280 14.504 1.00 0.00 WAT1 ATOM 1958 OH2 TIP3 151 -22.806 -16.914 11.116 1.00 0.00 WAT1 ATOM 1959 H1 TIP3 151 -23.473 -16.987 10.407 1.00 0.00 WAT1 ATOM 1960 H2 TIP3 151 -21.977 -17.225 10.698 1.00 0.00 WAT1 ATOM 1961 OH2 TIP3 152 -24.414 -9.490 13.209 1.00 0.00 WAT1 ATOM 1962 H1 TIP3 152 -24.166 -10.029 12.423 1.00 0.00 WAT1 ATOM 1963 H2 TIP3 152 -25.091 -8.869 12.868 1.00 0.00 WAT1 ATOM 1964 OH2 TIP3 153 -28.020 -10.566 12.464 1.00 0.00 WAT1 ATOM 1965 H1 TIP3 153 -27.443 -11.122 13.034 1.00 0.00 WAT1 ATOM 1966 H2 TIP3 153 -28.868 -10.509 12.962 1.00 0.00 WAT1 ATOM 1967 OH2 TIP3 154 -24.375 -13.075 15.629 1.00 0.00 WAT1 ATOM 1968 H1 TIP3 154 -23.572 -13.612 15.415 1.00 0.00 WAT1 ATOM 1969 H2 TIP3 154 -24.800 -13.564 16.341 1.00 0.00 WAT1 ATOM 1970 OH2 TIP3 155 -30.290 -10.302 14.025 1.00 0.00 WAT1 ATOM 1971 H1 TIP3 155 -30.492 -9.792 14.817 1.00 0.00 WAT1 ATOM 1972 H2 TIP3 155 -31.116 -10.752 13.815 1.00 0.00 WAT1 ATOM 1973 OH2 TIP3 156 -26.571 -11.371 10.217 1.00 0.00 WAT1 ATOM 1974 H1 TIP3 156 -26.950 -12.255 10.013 1.00 0.00 WAT1 ATOM 1975 H2 TIP3 156 -27.199 -10.989 10.867 1.00 0.00 WAT1 ATOM 1976 OH2 TIP3 157 -25.506 -13.929 12.016 1.00 0.00 WAT1 ATOM 1977 H1 TIP3 157 -25.820 -13.232 12.629 1.00 0.00 WAT1 ATOM 1978 H2 TIP3 157 -26.166 -13.922 11.286 1.00 0.00 WAT1 ATOM 1979 OH2 TIP3 158 -24.331 -9.836 21.500 1.00 0.00 WAT1 ATOM 1980 H1 TIP3 158 -25.150 -10.171 21.929 1.00 0.00 WAT1 ATOM 1981 H2 TIP3 158 -23.623 -10.092 22.110 1.00 0.00 WAT1 ATOM 1982 OH2 TIP3 159 -22.610 -11.115 14.538 1.00 0.00 WAT1 ATOM 1983 H1 TIP3 159 -23.181 -11.746 15.021 1.00 0.00 WAT1 ATOM 1984 H2 TIP3 159 -23.233 -10.440 14.200 1.00 0.00 WAT1 ATOM 1985 OH2 TIP3 160 -22.129 -14.412 14.958 1.00 0.00 WAT1 ATOM 1986 H1 TIP3 160 -21.311 -14.929 15.088 1.00 0.00 WAT1 ATOM 1987 H2 TIP3 160 -22.303 -14.480 13.997 1.00 0.00 WAT1 ATOM 1988 OH2 TIP3 161 -22.838 -14.452 12.304 1.00 0.00 WAT1 ATOM 1989 H1 TIP3 161 -22.709 -15.336 11.886 1.00 0.00 WAT1 ATOM 1990 H2 TIP3 161 -23.794 -14.268 12.178 1.00 0.00 WAT1 ATOM 1991 OH2 TIP3 162 -27.344 -17.084 8.675 1.00 0.00 WAT1 ATOM 1992 H1 TIP3 162 -27.655 -16.946 9.594 1.00 0.00 WAT1 ATOM 1993 H2 TIP3 162 -26.363 -17.092 8.754 1.00 0.00 WAT1 ATOM 1994 OH2 TIP3 163 -23.121 -6.927 14.758 1.00 0.00 WAT1 ATOM 1995 H1 TIP3 163 -22.838 -6.751 15.678 1.00 0.00 WAT1 ATOM 1996 H2 TIP3 163 -23.568 -7.784 14.805 1.00 0.00 WAT1 ATOM 1997 OH2 TIP3 164 -21.230 -7.153 10.678 1.00 0.00 WAT1 ATOM 1998 H1 TIP3 164 -21.452 -8.083 10.443 1.00 0.00 WAT1 ATOM 1999 H2 TIP3 164 -22.051 -6.807 11.082 1.00 0.00 WAT1 ATOM 2000 OH2 TIP3 165 -30.690 15.529 3.102 1.00 0.00 WAT1 ATOM 2001 H1 TIP3 165 -30.996 14.724 2.677 1.00 0.00 WAT1 ATOM 2002 H2 TIP3 165 -31.493 16.102 3.137 1.00 0.00 WAT1 ATOM 2003 OH2 TIP3 166 -32.547 14.664 -4.480 1.00 0.00 WAT1 ATOM 2004 H1 TIP3 166 -32.470 13.691 -4.332 1.00 0.00 WAT1 ATOM 2005 H2 TIP3 166 -32.545 15.036 -3.587 1.00 0.00 WAT1 ATOM 2006 OH2 TIP3 167 -29.917 11.948 -2.164 1.00 0.00 WAT1 ATOM 2007 H1 TIP3 167 -29.464 11.790 -1.324 1.00 0.00 WAT1 ATOM 2008 H2 TIP3 167 -29.191 11.976 -2.824 1.00 0.00 WAT1 ATOM 2009 OH2 TIP3 168 -26.700 12.400 -1.416 1.00 0.00 WAT1 ATOM 2010 H1 TIP3 168 -25.795 12.036 -1.358 1.00 0.00 WAT1 ATOM 2011 H2 TIP3 168 -26.956 12.255 -2.347 1.00 0.00 WAT1 ATOM 2012 OH2 TIP3 169 -23.084 9.515 2.688 1.00 0.00 WAT1 ATOM 2013 H1 TIP3 169 -22.125 9.485 2.902 1.00 0.00 WAT1 ATOM 2014 H2 TIP3 169 -23.480 8.868 3.282 1.00 0.00 WAT1 ATOM 2015 OH2 TIP3 170 -19.951 -5.362 9.118 1.00 0.00 WAT1 ATOM 2016 H1 TIP3 170 -20.375 -6.033 9.704 1.00 0.00 WAT1 ATOM 2017 H2 TIP3 170 -20.683 -4.749 8.893 1.00 0.00 WAT1 ATOM 2018 OH2 TIP3 171 -17.959 -1.347 8.685 1.00 0.00 WAT1 ATOM 2019 H1 TIP3 171 -17.813 -2.267 8.989 1.00 0.00 WAT1 ATOM 2020 H2 TIP3 171 -18.638 -1.428 8.010 1.00 0.00 WAT1 ATOM 2021 OH2 TIP3 172 -24.135 11.231 -1.637 1.00 0.00 WAT1 ATOM 2022 H1 TIP3 172 -23.588 10.713 -0.994 1.00 0.00 WAT1 ATOM 2023 H2 TIP3 172 -24.059 10.736 -2.459 1.00 0.00 WAT1 ATOM 2024 OH2 TIP3 173 -22.234 -3.904 8.571 1.00 0.00 WAT1 ATOM 2025 H1 TIP3 173 -22.764 -3.274 8.061 1.00 0.00 WAT1 ATOM 2026 H2 TIP3 173 -22.683 -4.766 8.424 1.00 0.00 WAT1 ATOM 2027 OH2 TIP3 174 -23.394 12.271 2.493 1.00 0.00 WAT1 ATOM 2028 H1 TIP3 174 -23.363 11.294 2.552 1.00 0.00 WAT1 ATOM 2029 H2 TIP3 174 -24.124 12.449 1.892 1.00 0.00 WAT1 ATOM 2030 OH2 TIP3 175 -32.233 12.081 -3.638 1.00 0.00 WAT1 ATOM 2031 H1 TIP3 175 -32.616 11.203 -3.723 1.00 0.00 WAT1 ATOM 2032 H2 TIP3 175 -31.443 11.946 -3.070 1.00 0.00 WAT1 ATOM 2033 OH2 TIP3 176 -24.791 -7.485 10.244 1.00 0.00 WAT1 ATOM 2034 H1 TIP3 176 -25.580 -7.761 10.759 1.00 0.00 WAT1 ATOM 2035 H2 TIP3 176 -24.261 -6.964 10.889 1.00 0.00 WAT1 ATOM 2036 OH2 TIP3 177 -26.687 -8.248 12.053 1.00 0.00 WAT1 ATOM 2037 H1 TIP3 177 -27.209 -9.080 12.130 1.00 0.00 WAT1 ATOM 2038 H2 TIP3 177 -27.316 -7.553 12.284 1.00 0.00 WAT1 ATOM 2039 OH2 TIP3 178 -18.254 3.213 16.622 1.00 0.00 WAT1 ATOM 2040 H1 TIP3 178 -19.024 3.055 17.195 1.00 0.00 WAT1 ATOM 2041 H2 TIP3 178 -17.689 3.816 17.149 1.00 0.00 WAT1 ATOM 2042 OH2 TIP3 179 -21.882 12.576 14.830 1.00 0.00 WAT1 ATOM 2043 H1 TIP3 179 -21.876 11.738 14.311 1.00 0.00 WAT1 ATOM 2044 H2 TIP3 179 -22.511 13.154 14.343 1.00 0.00 WAT1 ATOM 2045 OH2 TIP3 180 -19.477 14.316 21.647 1.00 0.00 WAT1 ATOM 2046 H1 TIP3 180 -20.051 15.097 21.755 1.00 0.00 WAT1 ATOM 2047 H2 TIP3 180 -18.601 14.692 21.425 1.00 0.00 WAT1 ATOM 2048 OH2 TIP3 181 -21.060 4.156 20.963 1.00 0.00 WAT1 ATOM 2049 H1 TIP3 181 -20.440 3.733 20.322 1.00 0.00 WAT1 ATOM 2050 H2 TIP3 181 -21.924 3.806 20.722 1.00 0.00 WAT1 ATOM 2051 OH2 TIP3 182 -22.810 -1.876 10.416 1.00 0.00 WAT1 ATOM 2052 H1 TIP3 182 -22.285 -2.563 9.960 1.00 0.00 WAT1 ATOM 2053 H2 TIP3 182 -23.570 -1.717 9.807 1.00 0.00 WAT1 ATOM 2054 OH2 TIP3 183 -24.038 -1.155 13.999 1.00 0.00 WAT1 ATOM 2055 H1 TIP3 183 -24.742 -0.652 14.419 1.00 0.00 WAT1 ATOM 2056 H2 TIP3 183 -23.584 -0.507 13.427 1.00 0.00 WAT1 ATOM 2057 OH2 TIP3 184 -23.169 -3.393 12.687 1.00 0.00 WAT1 ATOM 2058 H1 TIP3 184 -23.087 -2.906 11.840 1.00 0.00 WAT1 ATOM 2059 H2 TIP3 184 -23.591 -2.742 13.294 1.00 0.00 WAT1 ATOM 2060 OH2 TIP3 185 -26.533 -10.895 22.785 1.00 0.00 WAT1 ATOM 2061 H1 TIP3 185 -27.028 -10.560 23.539 1.00 0.00 WAT1 ATOM 2062 H2 TIP3 185 -27.015 -11.683 22.515 1.00 0.00 WAT1 ATOM 2063 OH2 TIP3 186 -20.824 -4.295 13.706 1.00 0.00 WAT1 ATOM 2064 H1 TIP3 186 -20.958 -4.313 14.663 1.00 0.00 WAT1 ATOM 2065 H2 TIP3 186 -21.671 -3.939 13.352 1.00 0.00 WAT1 ATOM 2066 OH2 TIP3 187 -24.183 -8.281 19.253 1.00 0.00 WAT1 ATOM 2067 H1 TIP3 187 -25.082 -7.948 19.175 1.00 0.00 WAT1 ATOM 2068 H2 TIP3 187 -24.183 -8.775 20.111 1.00 0.00 WAT1 ATOM 2069 OH2 TIP3 188 -23.452 14.981 17.365 1.00 0.00 WAT1 ATOM 2070 H1 TIP3 188 -24.268 15.009 16.836 1.00 0.00 WAT1 ATOM 2071 H2 TIP3 188 -22.943 15.765 17.054 1.00 0.00 WAT1 ATOM 2072 OH2 TIP3 189 -36.458 29.153 -27.337 1.00 0.00 WAT1 ATOM 2073 H1 TIP3 189 -37.428 29.226 -27.229 1.00 0.00 WAT1 ATOM 2074 H2 TIP3 189 -36.343 28.428 -27.958 1.00 0.00 WAT1 ATOM 2075 OH2 TIP3 190 -36.994 33.926 -30.411 1.00 0.00 WAT1 ATOM 2076 H1 TIP3 190 -37.868 33.629 -30.769 1.00 0.00 WAT1 ATOM 2077 H2 TIP3 190 -36.739 33.209 -29.782 1.00 0.00 WAT1 ATOM 2078 OH2 TIP3 191 -29.948 34.007 -18.363 1.00 0.00 WAT1 ATOM 2079 H1 TIP3 191 -29.658 34.451 -17.545 1.00 0.00 WAT1 ATOM 2080 H2 TIP3 191 -30.909 34.217 -18.419 1.00 0.00 WAT1 ATOM 2081 OH2 TIP3 192 -22.413 21.703 -13.500 1.00 0.00 WAT1 ATOM 2082 H1 TIP3 192 -23.009 21.228 -12.887 1.00 0.00 WAT1 ATOM 2083 H2 TIP3 192 -21.574 21.199 -13.452 1.00 0.00 WAT1 ATOM 2084 OH2 TIP3 193 -20.219 18.914 -10.661 1.00 0.00 WAT1 ATOM 2085 H1 TIP3 193 -20.167 19.554 -11.404 1.00 0.00 WAT1 ATOM 2086 H2 TIP3 193 -19.286 18.805 -10.374 1.00 0.00 WAT1 ATOM 2087 OH2 TIP3 194 -22.820 28.458 -17.310 1.00 0.00 WAT1 ATOM 2088 H1 TIP3 194 -23.335 28.288 -16.498 1.00 0.00 WAT1 ATOM 2089 H2 TIP3 194 -23.448 28.939 -17.892 1.00 0.00 WAT1 ATOM 2090 OH2 TIP3 195 -30.083 31.466 -19.377 1.00 0.00 WAT1 ATOM 2091 H1 TIP3 195 -30.759 31.719 -20.033 1.00 0.00 WAT1 ATOM 2092 H2 TIP3 195 -29.937 32.286 -18.860 1.00 0.00 WAT1 ATOM 2093 OH2 TIP3 196 -23.616 26.473 -7.680 1.00 0.00 WAT1 ATOM 2094 H1 TIP3 196 -23.692 25.539 -7.938 1.00 0.00 WAT1 ATOM 2095 H2 TIP3 196 -23.743 26.963 -8.516 1.00 0.00 WAT1 ATOM 2096 OH2 TIP3 197 -24.861 22.774 -11.816 1.00 0.00 WAT1 ATOM 2097 H1 TIP3 197 -25.407 22.798 -12.627 1.00 0.00 WAT1 ATOM 2098 H2 TIP3 197 -24.577 21.844 -11.747 1.00 0.00 WAT1 ATOM 2099 OH2 TIP3 198 -25.917 21.586 -8.187 1.00 0.00 WAT1 ATOM 2100 H1 TIP3 198 -25.025 21.224 -8.336 1.00 0.00 WAT1 ATOM 2101 H2 TIP3 198 -26.454 20.807 -7.932 1.00 0.00 WAT1 ATOM 2102 OH2 TIP3 199 -28.846 29.104 -10.051 1.00 0.00 WAT1 ATOM 2103 H1 TIP3 199 -28.598 29.327 -9.131 1.00 0.00 WAT1 ATOM 2104 H2 TIP3 199 -29.474 29.789 -10.296 1.00 0.00 WAT1 ATOM 2105 OH2 TIP3 200 -32.650 34.289 -21.118 1.00 0.00 WAT1 ATOM 2106 H1 TIP3 200 -32.238 33.424 -21.318 1.00 0.00 WAT1 ATOM 2107 H2 TIP3 200 -32.678 34.318 -20.140 1.00 0.00 WAT1 ATOM 2108 OH2 TIP3 201 -31.610 31.800 -21.799 1.00 0.00 WAT1 ATOM 2109 H1 TIP3 201 -30.952 31.081 -21.886 1.00 0.00 WAT1 ATOM 2110 H2 TIP3 201 -32.043 31.830 -22.677 1.00 0.00 WAT1 ATOM 2111 OH2 TIP3 202 -29.691 29.816 -21.495 1.00 0.00 WAT1 ATOM 2112 H1 TIP3 202 -29.542 28.868 -21.428 1.00 0.00 WAT1 ATOM 2113 H2 TIP3 202 -29.762 30.118 -20.562 1.00 0.00 WAT1 ATOM 2114 OH2 TIP3 203 -26.071 18.920 -10.506 1.00 0.00 WAT1 ATOM 2115 H1 TIP3 203 -26.544 18.087 -10.284 1.00 0.00 WAT1 ATOM 2116 H2 TIP3 203 -26.776 19.602 -10.485 1.00 0.00 WAT1 ATOM 2117 OH2 TIP3 204 -28.292 20.503 -10.255 1.00 0.00 WAT1 ATOM 2118 H1 TIP3 204 -28.147 21.134 -10.999 1.00 0.00 WAT1 ATOM 2119 H2 TIP3 204 -29.258 20.320 -10.288 1.00 0.00 WAT1 ATOM 2120 OH2 TIP3 205 -23.051 23.851 -15.164 1.00 0.00 WAT1 ATOM 2121 H1 TIP3 205 -22.964 23.008 -14.662 1.00 0.00 WAT1 ATOM 2122 H2 TIP3 205 -22.499 23.719 -15.945 1.00 0.00 WAT1 ATOM 2123 OH2 TIP3 206 -19.284 27.542 -5.494 1.00 0.00 WAT1 ATOM 2124 H1 TIP3 206 -20.210 27.783 -5.207 1.00 0.00 WAT1 ATOM 2125 H2 TIP3 206 -18.793 28.361 -5.397 1.00 0.00 WAT1 ATOM 2126 OH2 TIP3 207 -21.983 25.574 -10.215 1.00 0.00 WAT1 ATOM 2127 H1 TIP3 207 -21.995 25.254 -11.144 1.00 0.00 WAT1 ATOM 2128 H2 TIP3 207 -22.504 26.400 -10.241 1.00 0.00 WAT1 ATOM 2129 OH2 TIP3 208 -27.569 24.921 -12.194 1.00 0.00 WAT1 ATOM 2130 H1 TIP3 208 -27.552 25.873 -11.938 1.00 0.00 WAT1 ATOM 2131 H2 TIP3 208 -27.485 24.937 -13.157 1.00 0.00 WAT1 ATOM 2132 OH2 TIP3 209 -27.923 22.186 -12.324 1.00 0.00 WAT1 ATOM 2133 H1 TIP3 209 -28.115 23.108 -12.070 1.00 0.00 WAT1 ATOM 2134 H2 TIP3 209 -27.411 22.272 -13.148 1.00 0.00 WAT1 ATOM 2135 OH2 TIP3 210 -24.591 25.553 -11.760 1.00 0.00 WAT1 ATOM 2136 H1 TIP3 210 -24.835 25.712 -12.693 1.00 0.00 WAT1 ATOM 2137 H2 TIP3 210 -24.587 24.576 -11.678 1.00 0.00 WAT1 ATOM 2138 OH2 TIP3 211 -23.126 23.790 -8.478 1.00 0.00 WAT1 ATOM 2139 H1 TIP3 211 -22.691 24.333 -9.175 1.00 0.00 WAT1 ATOM 2140 H2 TIP3 211 -23.422 22.994 -8.948 1.00 0.00 WAT1 ATOM 2141 OH2 TIP3 212 -26.184 23.155 -14.294 1.00 0.00 WAT1 ATOM 2142 H1 TIP3 212 -25.855 24.075 -14.422 1.00 0.00 WAT1 ATOM 2143 H2 TIP3 212 -26.083 22.746 -15.162 1.00 0.00 WAT1 ATOM 2144 OH2 TIP3 213 -25.014 25.630 -14.524 1.00 0.00 WAT1 ATOM 2145 H1 TIP3 213 -24.242 25.134 -14.874 1.00 0.00 WAT1 ATOM 2146 H2 TIP3 213 -24.821 26.568 -14.754 1.00 0.00 WAT1 ATOM 2147 OH2 TIP3 214 -24.010 28.165 -14.785 1.00 0.00 WAT1 ATOM 2148 H1 TIP3 214 -24.671 28.654 -14.248 1.00 0.00 WAT1 ATOM 2149 H2 TIP3 214 -23.158 28.338 -14.332 1.00 0.00 WAT1 ATOM 2150 OH2 TIP3 215 -23.909 20.133 -11.668 1.00 0.00 WAT1 ATOM 2151 H1 TIP3 215 -24.773 19.759 -11.380 1.00 0.00 WAT1 ATOM 2152 H2 TIP3 215 -23.322 19.347 -11.725 1.00 0.00 WAT1 ATOM 2153 OH2 TIP3 216 -32.580 16.095 -12.769 1.00 0.00 WAT1 ATOM 2154 H1 TIP3 216 -31.860 16.674 -13.037 1.00 0.00 WAT1 ATOM 2155 H2 TIP3 216 -32.513 15.339 -13.361 1.00 0.00 WAT1 ATOM 2156 OH2 TIP3 217 -22.558 17.762 -11.343 1.00 0.00 WAT1 ATOM 2157 H1 TIP3 217 -22.358 16.932 -11.790 1.00 0.00 WAT1 ATOM 2158 H2 TIP3 217 -21.675 18.102 -11.057 1.00 0.00 WAT1 ATOM 2159 OH2 TIP3 218 -24.663 30.000 -18.646 1.00 0.00 WAT1 ATOM 2160 H1 TIP3 218 -25.515 30.084 -18.167 1.00 0.00 WAT1 ATOM 2161 H2 TIP3 218 -24.898 30.206 -19.583 1.00 0.00 WAT1 ATOM 2162 OH2 TIP3 219 -23.944 27.689 -10.183 1.00 0.00 WAT1 ATOM 2163 H1 TIP3 219 -24.643 28.371 -10.129 1.00 0.00 WAT1 ATOM 2164 H2 TIP3 219 -24.337 26.985 -10.754 1.00 0.00 WAT1 ATOM 2165 OH2 TIP3 220 -33.397 25.337 -8.138 1.00 0.00 WAT1 ATOM 2166 H1 TIP3 220 -33.361 25.993 -7.402 1.00 0.00 WAT1 ATOM 2167 H2 TIP3 220 -33.204 25.858 -8.925 1.00 0.00 WAT1 ATOM 2168 OH2 TIP3 221 -30.993 20.132 -10.430 1.00 0.00 WAT1 ATOM 2169 H1 TIP3 221 -31.426 20.632 -9.694 1.00 0.00 WAT1 ATOM 2170 H2 TIP3 221 -31.547 20.314 -11.195 1.00 0.00 WAT1 ATOM 2171 OH2 TIP3 222 -30.193 17.708 -9.363 1.00 0.00 WAT1 ATOM 2172 H1 TIP3 222 -30.998 17.333 -8.945 1.00 0.00 WAT1 ATOM 2173 H2 TIP3 222 -30.504 18.542 -9.773 1.00 0.00 WAT1 ATOM 2174 OH2 TIP3 223 -27.619 16.969 -9.349 1.00 0.00 WAT1 ATOM 2175 H1 TIP3 223 -27.622 16.006 -9.369 1.00 0.00 WAT1 ATOM 2176 H2 TIP3 223 -28.580 17.214 -9.379 1.00 0.00 WAT1 ATOM 2177 OH2 TIP3 224 -27.587 19.377 -7.840 1.00 0.00 WAT1 ATOM 2178 H1 TIP3 224 -27.431 18.462 -8.144 1.00 0.00 WAT1 ATOM 2179 H2 TIP3 224 -27.960 19.830 -8.630 1.00 0.00 WAT1 ATOM 2180 OH2 TIP3 225 -35.771 32.450 -24.414 1.00 0.00 WAT1 ATOM 2181 H1 TIP3 225 -36.448 32.384 -25.125 1.00 0.00 WAT1 ATOM 2182 H2 TIP3 225 -36.284 32.311 -23.589 1.00 0.00 WAT1 ATOM 2183 OH2 TIP3 226 -37.391 34.883 -22.079 1.00 0.00 WAT1 ATOM 2184 H1 TIP3 226 -37.483 35.261 -22.971 1.00 0.00 WAT1 ATOM 2185 H2 TIP3 226 -37.480 33.920 -22.220 1.00 0.00 WAT1 ATOM 2186 OH2 TIP3 227 -21.488 28.548 -13.697 1.00 0.00 WAT1 ATOM 2187 H1 TIP3 227 -21.128 28.986 -14.502 1.00 0.00 WAT1 ATOM 2188 H2 TIP3 227 -20.888 27.783 -13.557 1.00 0.00 WAT1 ATOM 2189 OH2 TIP3 228 -21.740 24.505 -12.775 1.00 0.00 WAT1 ATOM 2190 H1 TIP3 228 -21.536 23.555 -12.734 1.00 0.00 WAT1 ATOM 2191 H2 TIP3 228 -22.379 24.577 -13.509 1.00 0.00 WAT1 ATOM 2192 OH2 TIP3 229 -21.970 29.505 -11.176 1.00 0.00 WAT1 ATOM 2193 H1 TIP3 229 -21.979 29.172 -12.100 1.00 0.00 WAT1 ATOM 2194 H2 TIP3 229 -22.633 28.955 -10.719 1.00 0.00 WAT1 ATOM 2195 OH2 TIP3 230 -23.292 20.894 -8.874 1.00 0.00 WAT1 ATOM 2196 H1 TIP3 230 -23.371 19.936 -8.664 1.00 0.00 WAT1 ATOM 2197 H2 TIP3 230 -23.250 20.917 -9.845 1.00 0.00 WAT1 ATOM 2198 OH2 TIP3 231 -20.690 15.346 -5.334 1.00 0.00 WAT1 ATOM 2199 H1 TIP3 231 -19.919 15.077 -5.863 1.00 0.00 WAT1 ATOM 2200 H2 TIP3 231 -21.219 15.905 -5.942 1.00 0.00 WAT1 ATOM 2201 OH2 TIP3 232 -23.867 18.225 -8.947 1.00 0.00 WAT1 ATOM 2202 H1 TIP3 232 -23.392 17.896 -9.738 1.00 0.00 WAT1 ATOM 2203 H2 TIP3 232 -24.779 18.378 -9.266 1.00 0.00 WAT1 ATOM 2204 OH2 TIP3 233 -26.102 33.174 -18.632 1.00 0.00 WAT1 ATOM 2205 H1 TIP3 233 -25.767 33.311 -19.543 1.00 0.00 WAT1 ATOM 2206 H2 TIP3 233 -25.298 33.224 -18.071 1.00 0.00 WAT1 ATOM 2207 OH2 TIP3 234 -27.185 27.491 -11.486 1.00 0.00 WAT1 ATOM 2208 H1 TIP3 234 -27.816 28.067 -10.987 1.00 0.00 WAT1 ATOM 2209 H2 TIP3 234 -26.735 28.106 -12.099 1.00 0.00 WAT1 ATOM 2210 OH2 TIP3 235 -25.283 30.407 -10.653 1.00 0.00 WAT1 ATOM 2211 H1 TIP3 235 -24.507 30.909 -10.377 1.00 0.00 WAT1 ATOM 2212 H2 TIP3 235 -26.030 30.835 -10.166 1.00 0.00 WAT1 ATOM 2213 OH2 TIP3 236 -25.856 29.417 -13.125 1.00 0.00 WAT1 ATOM 2214 H1 TIP3 236 -25.623 29.826 -12.256 1.00 0.00 WAT1 ATOM 2215 H2 TIP3 236 -26.340 30.111 -13.591 1.00 0.00 WAT1 ATOM 2216 OH2 TIP3 237 -32.843 31.773 -24.330 1.00 0.00 WAT1 ATOM 2217 H1 TIP3 237 -33.703 32.157 -24.090 1.00 0.00 WAT1 ATOM 2218 H2 TIP3 237 -33.019 31.311 -25.173 1.00 0.00 WAT1 ATOM 2219 OH2 TIP3 238 -25.417 30.893 -21.080 1.00 0.00 WAT1 ATOM 2220 H1 TIP3 238 -26.326 31.253 -21.127 1.00 0.00 WAT1 ATOM 2221 H2 TIP3 238 -25.007 31.179 -21.919 1.00 0.00 WAT1 ATOM 2222 OH2 TIP3 239 -39.635 33.792 -25.890 1.00 0.00 WAT1 ATOM 2223 H1 TIP3 239 -40.524 33.987 -25.527 1.00 0.00 WAT1 ATOM 2224 H2 TIP3 239 -39.042 34.406 -25.417 1.00 0.00 WAT1 ATOM 2225 OH2 TIP3 240 -19.540 30.535 -11.878 1.00 0.00 WAT1 ATOM 2226 H1 TIP3 240 -19.007 29.791 -12.239 1.00 0.00 WAT1 ATOM 2227 H2 TIP3 240 -20.363 30.106 -11.555 1.00 0.00 WAT1 ATOM 2228 OH2 TIP3 241 -28.512 23.289 2.686 1.00 0.00 WAT1 ATOM 2229 H1 TIP3 241 -28.484 22.443 3.173 1.00 0.00 WAT1 ATOM 2230 H2 TIP3 241 -27.566 23.528 2.581 1.00 0.00 WAT1 ATOM 2231 OH2 TIP3 242 -29.597 22.718 0.208 1.00 0.00 WAT1 ATOM 2232 H1 TIP3 242 -30.567 22.718 0.337 1.00 0.00 WAT1 ATOM 2233 H2 TIP3 242 -29.243 23.060 1.056 1.00 0.00 WAT1 ATOM 2234 OH2 TIP3 243 -27.692 22.500 -1.804 1.00 0.00 WAT1 ATOM 2235 H1 TIP3 243 -27.015 22.893 -1.237 1.00 0.00 WAT1 ATOM 2236 H2 TIP3 243 -28.517 22.584 -1.280 1.00 0.00 WAT1 ATOM 2237 OH2 TIP3 244 -29.544 16.653 -3.512 1.00 0.00 WAT1 ATOM 2238 H1 TIP3 244 -29.979 16.010 -2.908 1.00 0.00 WAT1 ATOM 2239 H2 TIP3 244 -30.145 16.700 -4.286 1.00 0.00 WAT1 ATOM 2240 OH2 TIP3 245 -34.894 18.223 1.407 1.00 0.00 WAT1 ATOM 2241 H1 TIP3 245 -35.477 18.639 2.054 1.00 0.00 WAT1 ATOM 2242 H2 TIP3 245 -34.264 18.936 1.160 1.00 0.00 WAT1 ATOM 2243 OH2 TIP3 246 -32.166 22.840 1.414 1.00 0.00 WAT1 ATOM 2244 H1 TIP3 246 -32.959 22.674 1.976 1.00 0.00 WAT1 ATOM 2245 H2 TIP3 246 -31.693 23.553 1.885 1.00 0.00 WAT1 ATOM 2246 OH2 TIP3 247 -33.935 22.497 3.437 1.00 0.00 WAT1 ATOM 2247 H1 TIP3 247 -33.793 23.109 4.179 1.00 0.00 WAT1 ATOM 2248 H2 TIP3 247 -33.941 21.615 3.848 1.00 0.00 WAT1 ATOM 2249 OH2 TIP3 248 -23.575 16.115 4.186 1.00 0.00 WAT1 ATOM 2250 H1 TIP3 248 -23.947 16.659 4.906 1.00 0.00 WAT1 ATOM 2251 H2 TIP3 248 -24.296 16.077 3.523 1.00 0.00 WAT1 ATOM 2252 OH2 TIP3 249 -32.913 17.078 3.039 1.00 0.00 WAT1 ATOM 2253 H1 TIP3 249 -33.605 17.127 2.358 1.00 0.00 WAT1 ATOM 2254 H2 TIP3 249 -32.962 17.946 3.487 1.00 0.00 WAT1 ATOM 2255 OH2 TIP3 250 -28.524 22.164 -4.438 1.00 0.00 WAT1 ATOM 2256 H1 TIP3 250 -28.643 21.213 -4.562 1.00 0.00 WAT1 ATOM 2257 H2 TIP3 250 -28.190 22.249 -3.518 1.00 0.00 WAT1 ATOM 2258 OH2 TIP3 251 -30.903 26.832 0.834 1.00 0.00 WAT1 ATOM 2259 H1 TIP3 251 -31.217 25.972 1.146 1.00 0.00 WAT1 ATOM 2260 H2 TIP3 251 -30.656 27.302 1.649 1.00 0.00 WAT1 ATOM 2261 OH2 TIP3 252 -33.066 20.235 0.854 1.00 0.00 WAT1 ATOM 2262 H1 TIP3 252 -33.038 19.949 -0.089 1.00 0.00 WAT1 ATOM 2263 H2 TIP3 252 -32.718 21.148 0.834 1.00 0.00 WAT1 ATOM 2264 OH2 TIP3 253 -32.707 24.569 4.979 1.00 0.00 WAT1 ATOM 2265 H1 TIP3 253 -32.340 25.278 5.555 1.00 0.00 WAT1 ATOM 2266 H2 TIP3 253 -32.172 24.629 4.159 1.00 0.00 WAT1 ATOM 2267 OH2 TIP3 254 -26.886 29.264 -2.428 1.00 0.00 WAT1 ATOM 2268 H1 TIP3 254 -27.754 29.484 -2.017 1.00 0.00 WAT1 ATOM 2269 H2 TIP3 254 -26.320 29.005 -1.666 1.00 0.00 WAT1 ATOM 2270 OH2 TIP3 255 -27.800 12.066 -3.950 1.00 0.00 WAT1 ATOM 2271 H1 TIP3 255 -27.958 12.925 -4.410 1.00 0.00 WAT1 ATOM 2272 H2 TIP3 255 -27.741 11.423 -4.665 1.00 0.00 WAT1 ATOM 2273 OH2 TIP3 256 -31.966 20.241 -5.961 1.00 0.00 WAT1 ATOM 2274 H1 TIP3 256 -31.058 19.863 -5.919 1.00 0.00 WAT1 ATOM 2275 H2 TIP3 256 -31.894 21.081 -5.490 1.00 0.00 WAT1 ATOM 2276 OH2 TIP3 257 -29.295 29.823 -1.301 1.00 0.00 WAT1 ATOM 2277 H1 TIP3 257 -28.994 29.867 -0.358 1.00 0.00 WAT1 ATOM 2278 H2 TIP3 257 -29.767 30.655 -1.437 1.00 0.00 WAT1 ATOM 2279 OH2 TIP3 258 -19.181 24.916 -4.834 1.00 0.00 WAT1 ATOM 2280 H1 TIP3 258 -19.237 25.807 -5.260 1.00 0.00 WAT1 ATOM 2281 H2 TIP3 258 -18.774 25.094 -3.980 1.00 0.00 WAT1 ATOM 2282 OH2 TIP3 259 -22.121 18.748 7.556 1.00 0.00 WAT1 ATOM 2283 H1 TIP3 259 -21.812 19.119 6.722 1.00 0.00 WAT1 ATOM 2284 H2 TIP3 259 -23.055 19.051 7.624 1.00 0.00 WAT1 ATOM 2285 OH2 TIP3 260 -29.484 19.080 -5.871 1.00 0.00 WAT1 ATOM 2286 H1 TIP3 260 -28.788 19.274 -6.537 1.00 0.00 WAT1 ATOM 2287 H2 TIP3 260 -29.688 18.142 -6.006 1.00 0.00 WAT1 ATOM 2288 OH2 TIP3 261 -34.719 16.362 -0.612 1.00 0.00 WAT1 ATOM 2289 H1 TIP3 261 -34.857 16.942 0.171 1.00 0.00 WAT1 ATOM 2290 H2 TIP3 261 -35.387 16.653 -1.239 1.00 0.00 WAT1 ATOM 2291 OH2 TIP3 262 -33.047 19.124 -1.694 1.00 0.00 WAT1 ATOM 2292 H1 TIP3 262 -32.617 18.324 -1.333 1.00 0.00 WAT1 ATOM 2293 H2 TIP3 262 -33.179 18.914 -2.641 1.00 0.00 WAT1 ATOM 2294 OH2 TIP3 263 -28.556 19.904 6.550 1.00 0.00 WAT1 ATOM 2295 H1 TIP3 263 -27.690 20.363 6.434 1.00 0.00 WAT1 ATOM 2296 H2 TIP3 263 -28.324 18.954 6.542 1.00 0.00 WAT1 ATOM 2297 OH2 TIP3 264 -32.421 16.670 -8.142 1.00 0.00 WAT1 ATOM 2298 H1 TIP3 264 -32.928 16.660 -8.990 1.00 0.00 WAT1 ATOM 2299 H2 TIP3 264 -33.113 16.590 -7.452 1.00 0.00 WAT1 ATOM 2300 OH2 TIP3 265 -25.766 23.400 2.907 1.00 0.00 WAT1 ATOM 2301 H1 TIP3 265 -25.749 23.374 3.904 1.00 0.00 WAT1 ATOM 2302 H2 TIP3 265 -25.580 22.490 2.647 1.00 0.00 WAT1 ATOM 2303 OH2 TIP3 266 -30.179 18.567 0.376 1.00 0.00 WAT1 ATOM 2304 H1 TIP3 266 -30.887 17.925 0.157 1.00 0.00 WAT1 ATOM 2305 H2 TIP3 266 -30.238 18.670 1.338 1.00 0.00 WAT1 ATOM 2306 OH2 TIP3 267 -33.162 18.204 -4.369 1.00 0.00 WAT1 ATOM 2307 H1 TIP3 267 -32.825 18.925 -4.936 1.00 0.00 WAT1 ATOM 2308 H2 TIP3 267 -33.578 17.583 -4.994 1.00 0.00 WAT1 ATOM 2309 OH2 TIP3 268 -25.865 16.398 2.646 1.00 0.00 WAT1 ATOM 2310 H1 TIP3 268 -25.996 16.278 1.681 1.00 0.00 WAT1 ATOM 2311 H2 TIP3 268 -26.777 16.437 3.008 1.00 0.00 WAT1 ATOM 2312 OH2 TIP3 269 -33.845 16.729 -10.452 1.00 0.00 WAT1 ATOM 2313 H1 TIP3 269 -33.360 16.478 -11.272 1.00 0.00 WAT1 ATOM 2314 H2 TIP3 269 -34.751 16.856 -10.745 1.00 0.00 WAT1 ATOM 2315 OH2 TIP3 270 -22.748 26.722 11.632 1.00 0.00 WAT1 ATOM 2316 H1 TIP3 270 -23.548 27.198 11.394 1.00 0.00 WAT1 ATOM 2317 H2 TIP3 270 -22.711 25.981 10.993 1.00 0.00 WAT1 ATOM 2318 OH2 TIP3 271 -32.019 16.778 -0.676 1.00 0.00 WAT1 ATOM 2319 H1 TIP3 271 -32.953 16.477 -0.610 1.00 0.00 WAT1 ATOM 2320 H2 TIP3 271 -31.537 15.991 -1.006 1.00 0.00 WAT1 ATOM 2321 OH2 TIP3 272 -28.013 20.457 0.507 1.00 0.00 WAT1 ATOM 2322 H1 TIP3 272 -28.476 19.909 1.169 1.00 0.00 WAT1 ATOM 2323 H2 TIP3 272 -28.589 21.241 0.404 1.00 0.00 WAT1 ATOM 2324 OH2 TIP3 273 -29.970 24.499 -4.941 1.00 0.00 WAT1 ATOM 2325 H1 TIP3 273 -30.469 24.238 -5.754 1.00 0.00 WAT1 ATOM 2326 H2 TIP3 273 -29.440 23.701 -4.724 1.00 0.00 WAT1 ATOM 2327 OH2 TIP3 274 -33.065 19.767 3.613 1.00 0.00 WAT1 ATOM 2328 H1 TIP3 274 -32.222 20.007 4.054 1.00 0.00 WAT1 ATOM 2329 H2 TIP3 274 -32.929 20.021 2.676 1.00 0.00 WAT1 ATOM 2330 OH2 TIP3 275 -32.056 26.041 -3.933 1.00 0.00 WAT1 ATOM 2331 H1 TIP3 275 -31.406 25.341 -4.151 1.00 0.00 WAT1 ATOM 2332 H2 TIP3 275 -31.705 26.447 -3.117 1.00 0.00 WAT1 ATOM 2333 OH2 TIP3 276 -33.057 27.190 -6.154 1.00 0.00 WAT1 ATOM 2334 H1 TIP3 276 -32.699 26.688 -5.379 1.00 0.00 WAT1 ATOM 2335 H2 TIP3 276 -33.637 27.848 -5.757 1.00 0.00 WAT1 ATOM 2336 OH2 TIP3 277 -28.258 29.798 1.193 1.00 0.00 WAT1 ATOM 2337 H1 TIP3 277 -28.443 28.953 1.650 1.00 0.00 WAT1 ATOM 2338 H2 TIP3 277 -27.563 30.211 1.738 1.00 0.00 WAT1 ATOM 2339 OH2 TIP3 278 -30.547 28.482 -6.596 1.00 0.00 WAT1 ATOM 2340 H1 TIP3 278 -31.433 28.086 -6.663 1.00 0.00 WAT1 ATOM 2341 H2 TIP3 278 -30.142 28.028 -5.832 1.00 0.00 WAT1 ATOM 2342 OH2 TIP3 279 -29.341 27.148 -4.458 1.00 0.00 WAT1 ATOM 2343 H1 TIP3 279 -29.483 26.200 -4.677 1.00 0.00 WAT1 ATOM 2344 H2 TIP3 279 -29.729 27.246 -3.562 1.00 0.00 WAT1 ATOM 2345 OH2 TIP3 280 -27.813 17.194 6.177 1.00 0.00 WAT1 ATOM 2346 H1 TIP3 280 -28.334 16.483 6.566 1.00 0.00 WAT1 ATOM 2347 H2 TIP3 280 -27.982 17.110 5.207 1.00 0.00 WAT1 ATOM 2348 OH2 TIP3 281 -30.500 27.398 -1.893 1.00 0.00 WAT1 ATOM 2349 H1 TIP3 281 -30.088 28.277 -1.752 1.00 0.00 WAT1 ATOM 2350 H2 TIP3 281 -30.729 27.097 -0.985 1.00 0.00 WAT1 ATOM 2351 OH2 TIP3 282 -25.357 19.019 3.364 1.00 0.00 WAT1 ATOM 2352 H1 TIP3 282 -25.506 18.167 2.911 1.00 0.00 WAT1 ATOM 2353 H2 TIP3 282 -25.083 18.760 4.265 1.00 0.00 WAT1 ATOM 2354 OH2 TIP3 283 -28.112 14.678 -0.859 1.00 0.00 WAT1 ATOM 2355 H1 TIP3 283 -27.475 15.308 -0.465 1.00 0.00 WAT1 ATOM 2356 H2 TIP3 283 -27.584 13.860 -0.994 1.00 0.00 WAT1 ATOM 2357 OH2 TIP3 284 -34.177 16.177 -6.081 1.00 0.00 WAT1 ATOM 2358 H1 TIP3 284 -35.046 15.785 -6.224 1.00 0.00 WAT1 ATOM 2359 H2 TIP3 284 -33.699 15.513 -5.535 1.00 0.00 WAT1 ATOM 2360 OH2 TIP3 285 -25.116 17.819 5.848 1.00 0.00 WAT1 ATOM 2361 H1 TIP3 285 -26.048 17.536 5.953 1.00 0.00 WAT1 ATOM 2362 H2 TIP3 285 -24.963 18.420 6.608 1.00 0.00 WAT1 ATOM 2363 OH2 TIP3 286 -27.532 29.103 -5.065 1.00 0.00 WAT1 ATOM 2364 H1 TIP3 286 -27.350 29.229 -4.113 1.00 0.00 WAT1 ATOM 2365 H2 TIP3 286 -28.183 28.370 -5.081 1.00 0.00 WAT1 ATOM 2366 OH2 TIP3 287 -31.421 23.699 -7.068 1.00 0.00 WAT1 ATOM 2367 H1 TIP3 287 -31.504 22.879 -7.590 1.00 0.00 WAT1 ATOM 2368 H2 TIP3 287 -32.095 24.292 -7.449 1.00 0.00 WAT1 ATOM 2369 OH2 TIP3 288 -32.164 22.312 6.414 1.00 0.00 WAT1 ATOM 2370 H1 TIP3 288 -32.379 23.140 5.934 1.00 0.00 WAT1 ATOM 2371 H2 TIP3 288 -32.379 22.508 7.331 1.00 0.00 WAT1 ATOM 2372 OH2 TIP3 289 -34.619 22.883 -8.356 1.00 0.00 WAT1 ATOM 2373 H1 TIP3 289 -35.520 22.994 -8.042 1.00 0.00 WAT1 ATOM 2374 H2 TIP3 289 -34.231 23.782 -8.299 1.00 0.00 WAT1 ATOM 2375 OH2 TIP3 290 -32.306 21.417 -8.461 1.00 0.00 WAT1 ATOM 2376 H1 TIP3 290 -33.200 21.829 -8.493 1.00 0.00 WAT1 ATOM 2377 H2 TIP3 290 -32.335 20.845 -7.664 1.00 0.00 WAT1 ATOM 2378 OH2 TIP3 291 -28.995 22.462 7.619 1.00 0.00 WAT1 ATOM 2379 H1 TIP3 291 -29.145 21.515 7.427 1.00 0.00 WAT1 ATOM 2380 H2 TIP3 291 -28.294 22.717 7.000 1.00 0.00 WAT1 ATOM 2381 OH2 TIP3 292 -29.227 19.480 2.929 1.00 0.00 WAT1 ATOM 2382 H1 TIP3 292 -28.446 20.020 3.191 1.00 0.00 WAT1 ATOM 2383 H2 TIP3 292 -29.925 19.754 3.561 1.00 0.00 WAT1 ATOM 2384 OH2 TIP3 293 -24.718 19.598 7.855 1.00 0.00 WAT1 ATOM 2385 H1 TIP3 293 -25.243 20.278 7.359 1.00 0.00 WAT1 ATOM 2386 H2 TIP3 293 -24.975 19.728 8.784 1.00 0.00 WAT1 ATOM 2387 OH2 TIP3 294 -30.772 20.425 4.992 1.00 0.00 WAT1 ATOM 2388 H1 TIP3 294 -31.267 21.100 5.513 1.00 0.00 WAT1 ATOM 2389 H2 TIP3 294 -30.019 20.180 5.574 1.00 0.00 WAT1 ATOM 2390 OH2 TIP3 295 -25.746 16.677 10.323 1.00 0.00 WAT1 ATOM 2391 H1 TIP3 295 -25.932 16.405 9.417 1.00 0.00 WAT1 ATOM 2392 H2 TIP3 295 -25.653 15.833 10.812 1.00 0.00 WAT1 ATOM 2393 OH2 TIP3 296 -24.452 17.193 -4.120 1.00 0.00 WAT1 ATOM 2394 H1 TIP3 296 -24.095 16.752 -3.326 1.00 0.00 WAT1 ATOM 2395 H2 TIP3 296 -23.723 17.154 -4.761 1.00 0.00 WAT1 ATOM 2396 OH2 TIP3 297 -18.454 12.938 11.574 1.00 0.00 WAT1 ATOM 2397 H1 TIP3 297 -18.811 13.071 12.477 1.00 0.00 WAT1 ATOM 2398 H2 TIP3 297 -19.153 13.287 10.985 1.00 0.00 WAT1 ATOM 2399 OH2 TIP3 298 -21.317 16.835 -0.505 1.00 0.00 WAT1 ATOM 2400 H1 TIP3 298 -20.640 17.482 -0.251 1.00 0.00 WAT1 ATOM 2401 H2 TIP3 298 -21.078 16.023 -0.001 1.00 0.00 WAT1 ATOM 2402 OH2 TIP3 299 -19.920 14.116 9.392 1.00 0.00 WAT1 ATOM 2403 H1 TIP3 299 -19.191 14.450 8.862 1.00 0.00 WAT1 ATOM 2404 H2 TIP3 299 -20.697 14.609 9.060 1.00 0.00 WAT1 ATOM 2405 OH2 TIP3 300 -21.411 17.099 -3.303 1.00 0.00 WAT1 ATOM 2406 H1 TIP3 300 -21.483 16.689 -2.421 1.00 0.00 WAT1 ATOM 2407 H2 TIP3 300 -21.229 16.347 -3.906 1.00 0.00 WAT1 ATOM 2408 OH2 TIP3 301 -30.876 24.812 2.903 1.00 0.00 WAT1 ATOM 2409 H1 TIP3 301 -30.710 25.736 3.204 1.00 0.00 WAT1 ATOM 2410 H2 TIP3 301 -29.989 24.390 2.917 1.00 0.00 WAT1 ATOM 2411 OH2 TIP3 302 -29.418 28.206 5.938 1.00 0.00 WAT1 ATOM 2412 H1 TIP3 302 -29.330 28.192 6.920 1.00 0.00 WAT1 ATOM 2413 H2 TIP3 302 -28.523 28.425 5.624 1.00 0.00 WAT1 ATOM 2414 OH2 TIP3 303 -29.161 27.548 8.575 1.00 0.00 WAT1 ATOM 2415 H1 TIP3 303 -28.887 27.621 9.512 1.00 0.00 WAT1 ATOM 2416 H2 TIP3 303 -29.423 26.612 8.478 1.00 0.00 WAT1 ATOM 2417 OH2 TIP3 304 -21.404 15.971 7.699 1.00 0.00 WAT1 ATOM 2418 H1 TIP3 304 -21.658 15.745 6.797 1.00 0.00 WAT1 ATOM 2419 H2 TIP3 304 -21.654 16.912 7.790 1.00 0.00 WAT1 ATOM 2420 OH2 TIP3 305 -26.351 30.349 3.151 1.00 0.00 WAT1 ATOM 2421 H1 TIP3 305 -25.406 30.167 2.920 1.00 0.00 WAT1 ATOM 2422 H2 TIP3 305 -26.539 29.729 3.878 1.00 0.00 WAT1 ATOM 2423 OH2 TIP3 306 -30.843 27.461 3.662 1.00 0.00 WAT1 ATOM 2424 H1 TIP3 306 -30.255 27.786 4.378 1.00 0.00 WAT1 ATOM 2425 H2 TIP3 306 -31.502 28.174 3.556 1.00 0.00 WAT1 ATOM 2426 OH2 TIP3 307 -28.401 16.892 3.555 1.00 0.00 WAT1 ATOM 2427 H1 TIP3 307 -29.194 16.322 3.397 1.00 0.00 WAT1 ATOM 2428 H2 TIP3 307 -28.675 17.776 3.228 1.00 0.00 WAT1 ATOM 2429 OH2 TIP3 308 -23.824 16.155 -1.424 1.00 0.00 WAT1 ATOM 2430 H1 TIP3 308 -23.013 16.583 -1.079 1.00 0.00 WAT1 ATOM 2431 H2 TIP3 308 -23.623 15.193 -1.368 1.00 0.00 WAT1 ATOM 2432 OH2 TIP3 309 -21.706 14.178 3.411 1.00 0.00 WAT1 ATOM 2433 H1 TIP3 309 -22.338 13.447 3.202 1.00 0.00 WAT1 ATOM 2434 H2 TIP3 309 -22.285 14.910 3.727 1.00 0.00 WAT1 ATOM 2435 OH2 TIP3 310 -30.603 14.726 -1.834 1.00 0.00 WAT1 ATOM 2436 H1 TIP3 310 -29.733 14.792 -1.365 1.00 0.00 WAT1 ATOM 2437 H2 TIP3 310 -30.701 13.772 -2.007 1.00 0.00 WAT1 ATOM 2438 OH2 TIP3 311 -26.173 16.513 -0.068 1.00 0.00 WAT1 ATOM 2439 H1 TIP3 311 -25.338 16.328 -0.560 1.00 0.00 WAT1 ATOM 2440 H2 TIP3 311 -26.445 17.383 -0.385 1.00 0.00 WAT1 ATOM 2441 OH2 TIP3 312 -28.595 14.463 -5.030 1.00 0.00 WAT1 ATOM 2442 H1 TIP3 312 -28.580 15.108 -4.304 1.00 0.00 WAT1 ATOM 2443 H2 TIP3 312 -29.231 14.837 -5.663 1.00 0.00 WAT1 ATOM 2444 OH2 TIP3 313 -30.750 16.169 -5.971 1.00 0.00 WAT1 ATOM 2445 H1 TIP3 313 -31.162 16.393 -6.834 1.00 0.00 WAT1 ATOM 2446 H2 TIP3 313 -31.417 15.598 -5.532 1.00 0.00 WAT1 ATOM 2447 OH2 TIP3 314 -26.295 28.344 -7.567 1.00 0.00 WAT1 ATOM 2448 H1 TIP3 314 -26.958 28.800 -7.019 1.00 0.00 WAT1 ATOM 2449 H2 TIP3 314 -25.455 28.501 -7.098 1.00 0.00 WAT1 ATOM 2450 OH2 TIP3 315 -21.058 16.666 21.513 1.00 0.00 WAT1 ATOM 2451 H1 TIP3 315 -21.752 16.959 22.114 1.00 0.00 WAT1 ATOM 2452 H2 TIP3 315 -21.530 16.093 20.861 1.00 0.00 WAT1 ATOM 2453 OH2 TIP3 316 -22.249 14.864 19.873 1.00 0.00 WAT1 ATOM 2454 H1 TIP3 316 -22.830 14.961 19.092 1.00 0.00 WAT1 ATOM 2455 H2 TIP3 316 -21.771 14.041 19.711 1.00 0.00 WAT1 ATOM 2456 OH2 TIP3 317 -21.998 21.681 12.130 1.00 0.00 WAT1 ATOM 2457 H1 TIP3 317 -21.762 21.179 12.945 1.00 0.00 WAT1 ATOM 2458 H2 TIP3 317 -21.928 21.013 11.410 1.00 0.00 WAT1 ATOM 2459 OH2 TIP3 318 -27.352 23.429 14.418 1.00 0.00 WAT1 ATOM 2460 H1 TIP3 318 -27.651 23.964 15.163 1.00 0.00 WAT1 ATOM 2461 H2 TIP3 318 -27.582 23.970 13.628 1.00 0.00 WAT1 ATOM 2462 OH2 TIP3 319 -27.142 20.991 3.817 1.00 0.00 WAT1 ATOM 2463 H1 TIP3 319 -26.477 20.301 3.581 1.00 0.00 WAT1 ATOM 2464 H2 TIP3 319 -26.809 21.357 4.670 1.00 0.00 WAT1 ATOM 2465 OH2 TIP3 320 -26.970 20.842 13.664 1.00 0.00 WAT1 ATOM 2466 H1 TIP3 320 -27.160 21.697 14.111 1.00 0.00 WAT1 ATOM 2467 H2 TIP3 320 -26.808 21.096 12.729 1.00 0.00 WAT1 ATOM 2468 OH2 TIP3 321 -28.543 18.620 14.047 1.00 0.00 WAT1 ATOM 2469 H1 TIP3 321 -29.351 18.912 14.478 1.00 0.00 WAT1 ATOM 2470 H2 TIP3 321 -28.008 19.438 13.957 1.00 0.00 WAT1 ATOM 2471 OH2 TIP3 322 -23.489 14.339 13.476 1.00 0.00 WAT1 ATOM 2472 H1 TIP3 322 -23.896 14.917 14.163 1.00 0.00 WAT1 ATOM 2473 H2 TIP3 322 -24.188 14.252 12.799 1.00 0.00 WAT1 ATOM 2474 OH2 TIP3 323 -24.044 23.328 11.629 1.00 0.00 WAT1 ATOM 2475 H1 TIP3 323 -23.281 22.734 11.832 1.00 0.00 WAT1 ATOM 2476 H2 TIP3 323 -23.689 23.946 10.956 1.00 0.00 WAT1 ATOM 2477 OH2 TIP3 324 -26.353 26.280 14.436 1.00 0.00 WAT1 ATOM 2478 H1 TIP3 324 -26.960 26.105 13.694 1.00 0.00 WAT1 ATOM 2479 H2 TIP3 324 -25.652 25.601 14.333 1.00 0.00 WAT1 ATOM 2480 OH2 TIP3 325 -25.936 14.485 12.101 1.00 0.00 WAT1 ATOM 2481 H1 TIP3 325 -26.554 13.765 12.273 1.00 0.00 WAT1 ATOM 2482 H2 TIP3 325 -26.273 15.229 12.649 1.00 0.00 WAT1 ATOM 2483 OH2 TIP3 326 -26.632 16.888 13.212 1.00 0.00 WAT1 ATOM 2484 H1 TIP3 326 -27.388 17.397 13.597 1.00 0.00 WAT1 ATOM 2485 H2 TIP3 326 -26.473 17.317 12.356 1.00 0.00 WAT1 ATOM 2486 OH2 TIP3 327 -27.843 25.129 12.325 1.00 0.00 WAT1 ATOM 2487 H1 TIP3 327 -27.991 24.461 11.618 1.00 0.00 WAT1 ATOM 2488 H2 TIP3 327 -28.026 25.985 11.882 1.00 0.00 WAT1 ATOM 2489 OH2 TIP3 328 -24.626 27.448 16.198 1.00 0.00 WAT1 ATOM 2490 H1 TIP3 328 -25.152 27.837 16.907 1.00 0.00 WAT1 ATOM 2491 H2 TIP3 328 -25.294 27.159 15.535 1.00 0.00 WAT1 ATOM 2492 OH2 TIP3 329 -20.068 27.079 12.138 1.00 0.00 WAT1 ATOM 2493 H1 TIP3 329 -21.044 27.065 12.024 1.00 0.00 WAT1 ATOM 2494 H2 TIP3 329 -19.924 26.662 13.011 1.00 0.00 WAT1 ATOM 2495 OH2 TIP3 330 -26.150 21.675 11.184 1.00 0.00 WAT1 ATOM 2496 H1 TIP3 330 -25.686 20.862 10.903 1.00 0.00 WAT1 ATOM 2497 H2 TIP3 330 -25.424 22.328 11.329 1.00 0.00 WAT1 ATOM 2498 OH2 TIP3 331 -30.005 24.921 8.474 1.00 0.00 WAT1 ATOM 2499 H1 TIP3 331 -29.827 24.095 7.982 1.00 0.00 WAT1 ATOM 2500 H2 TIP3 331 -29.617 24.759 9.351 1.00 0.00 WAT1 ATOM 2501 OH2 TIP3 332 -29.599 28.649 13.373 1.00 0.00 WAT1 ATOM 2502 H1 TIP3 332 -30.532 28.880 13.443 1.00 0.00 WAT1 ATOM 2503 H2 TIP3 332 -29.229 28.885 14.231 1.00 0.00 WAT1 ATOM 2504 OH2 TIP3 333 -31.613 26.453 6.627 1.00 0.00 WAT1 ATOM 2505 H1 TIP3 333 -31.232 25.962 7.382 1.00 0.00 WAT1 ATOM 2506 H2 TIP3 333 -30.931 27.119 6.409 1.00 0.00 WAT1 ATOM 2507 OH2 TIP3 334 -28.258 23.279 10.265 1.00 0.00 WAT1 ATOM 2508 H1 TIP3 334 -28.525 22.877 9.417 1.00 0.00 WAT1 ATOM 2509 H2 TIP3 334 -27.546 22.689 10.594 1.00 0.00 WAT1 ATOM 2510 OH2 TIP3 335 -24.559 19.369 13.432 1.00 0.00 WAT1 ATOM 2511 H1 TIP3 335 -23.826 19.746 13.939 1.00 0.00 WAT1 ATOM 2512 H2 TIP3 335 -25.349 19.841 13.761 1.00 0.00 WAT1 ATOM 2513 OH2 TIP3 336 -22.080 19.828 10.141 1.00 0.00 WAT1 ATOM 2514 H1 TIP3 336 -23.020 19.599 10.258 1.00 0.00 WAT1 ATOM 2515 H2 TIP3 336 -21.845 19.437 9.279 1.00 0.00 WAT1 ATOM 2516 OH2 TIP3 337 -21.127 20.121 14.173 1.00 0.00 WAT1 ATOM 2517 H1 TIP3 337 -20.322 19.714 13.789 1.00 0.00 WAT1 ATOM 2518 H2 TIP3 337 -20.860 20.361 15.086 1.00 0.00 WAT1 ATOM 2519 OH2 TIP3 338 -24.831 19.246 10.730 1.00 0.00 WAT1 ATOM 2520 H1 TIP3 338 -25.130 18.329 10.529 1.00 0.00 WAT1 ATOM 2521 H2 TIP3 338 -24.668 19.235 11.705 1.00 0.00 WAT1 ATOM 2522 OH2 TIP3 339 -24.674 16.185 15.065 1.00 0.00 WAT1 ATOM 2523 H1 TIP3 339 -24.105 16.939 15.291 1.00 0.00 WAT1 ATOM 2524 H2 TIP3 339 -25.375 16.573 14.497 1.00 0.00 WAT1 ATOM 2525 OH2 TIP3 340 -22.069 17.055 16.234 1.00 0.00 WAT1 ATOM 2526 H1 TIP3 340 -21.656 16.753 15.399 1.00 0.00 WAT1 ATOM 2527 H2 TIP3 340 -21.395 17.616 16.643 1.00 0.00 WAT1 ATOM 2528 OH2 TIP3 341 -18.652 15.696 14.422 1.00 0.00 WAT1 ATOM 2529 H1 TIP3 341 -19.562 15.965 14.173 1.00 0.00 WAT1 ATOM 2530 H2 TIP3 341 -18.705 14.722 14.493 1.00 0.00 WAT1 ATOM 2531 OH2 TIP3 342 -21.279 16.134 13.721 1.00 0.00 WAT1 ATOM 2532 H1 TIP3 342 -21.945 15.437 13.545 1.00 0.00 WAT1 ATOM 2533 H2 TIP3 342 -21.442 16.797 13.037 1.00 0.00 WAT1 ATOM 2534 OH2 TIP3 343 -19.586 15.380 17.638 1.00 0.00 WAT1 ATOM 2535 H1 TIP3 343 -18.966 14.773 18.092 1.00 0.00 WAT1 ATOM 2536 H2 TIP3 343 -20.306 14.806 17.346 1.00 0.00 WAT1 ATOM 2537 OH2 TIP3 344 -24.667 24.139 14.132 1.00 0.00 WAT1 ATOM 2538 H1 TIP3 344 -24.398 23.901 13.215 1.00 0.00 WAT1 ATOM 2539 H2 TIP3 344 -25.478 23.616 14.285 1.00 0.00 WAT1 ATOM 2540 OH2 TIP3 345 -19.974 25.954 14.696 1.00 0.00 WAT1 ATOM 2541 H1 TIP3 345 -19.838 25.329 15.442 1.00 0.00 WAT1 ATOM 2542 H2 TIP3 345 -20.930 26.127 14.713 1.00 0.00 WAT1 ATOM 2543 OH2 TIP3 346 -38.056 41.123 -32.739 1.00 0.00 WAT1 ATOM 2544 H1 TIP3 346 -38.147 40.144 -32.743 1.00 0.00 WAT1 ATOM 2545 H2 TIP3 346 -37.102 41.271 -32.645 1.00 0.00 WAT1 ATOM 2546 OH2 TIP3 347 -35.883 37.751 -34.692 1.00 0.00 WAT1 ATOM 2547 H1 TIP3 347 -35.797 38.302 -33.888 1.00 0.00 WAT1 ATOM 2548 H2 TIP3 347 -35.554 38.334 -35.414 1.00 0.00 WAT1 ATOM 2549 OH2 TIP3 348 -38.353 38.431 -32.192 1.00 0.00 WAT1 ATOM 2550 H1 TIP3 348 -38.072 37.492 -32.270 1.00 0.00 WAT1 ATOM 2551 H2 TIP3 348 -39.198 38.384 -31.688 1.00 0.00 WAT1 ATOM 2552 OH2 TIP3 349 -35.706 39.163 -32.308 1.00 0.00 WAT1 ATOM 2553 H1 TIP3 349 -35.195 38.395 -31.962 1.00 0.00 WAT1 ATOM 2554 H2 TIP3 349 -36.632 38.963 -32.065 1.00 0.00 WAT1 ATOM 2555 OH2 TIP3 350 -33.998 40.050 -30.139 1.00 0.00 WAT1 ATOM 2556 H1 TIP3 350 -34.311 39.787 -31.016 1.00 0.00 WAT1 ATOM 2557 H2 TIP3 350 -34.592 40.794 -29.891 1.00 0.00 WAT1 ATOM 2558 OH2 TIP3 351 -37.456 35.878 -32.323 1.00 0.00 WAT1 ATOM 2559 H1 TIP3 351 -36.645 35.584 -32.782 1.00 0.00 WAT1 ATOM 2560 H2 TIP3 351 -37.516 35.289 -31.545 1.00 0.00 WAT1 ATOM 2561 OH2 TIP3 352 -36.010 41.862 -29.886 1.00 0.00 WAT1 ATOM 2562 H1 TIP3 352 -36.868 41.399 -29.941 1.00 0.00 WAT1 ATOM 2563 H2 TIP3 352 -36.242 42.748 -29.527 1.00 0.00 WAT1 ATOM 2564 OH2 TIP3 353 -34.970 39.808 -36.232 1.00 0.00 WAT1 ATOM 2565 H1 TIP3 353 -34.469 40.070 -37.033 1.00 0.00 WAT1 ATOM 2566 H2 TIP3 353 -35.228 40.642 -35.835 1.00 0.00 WAT1 ATOM 2567 OH2 TIP3 354 -32.087 48.367 -28.180 1.00 0.00 WAT1 ATOM 2568 H1 TIP3 354 -32.555 47.517 -27.973 1.00 0.00 WAT1 ATOM 2569 H2 TIP3 354 -32.678 48.811 -28.798 1.00 0.00 WAT1 ATOM 2570 OH2 TIP3 355 -33.475 46.074 -27.897 1.00 0.00 WAT1 ATOM 2571 H1 TIP3 355 -34.405 46.302 -27.642 1.00 0.00 WAT1 ATOM 2572 H2 TIP3 355 -33.520 45.142 -28.134 1.00 0.00 WAT1 ATOM 2573 OH2 TIP3 356 -37.702 47.421 -29.313 1.00 0.00 WAT1 ATOM 2574 H1 TIP3 356 -38.318 46.669 -29.447 1.00 0.00 WAT1 ATOM 2575 H2 TIP3 356 -38.068 48.124 -29.851 1.00 0.00 WAT1 ATOM 2576 OH2 TIP3 357 -33.629 41.049 -38.272 1.00 0.00 WAT1 ATOM 2577 H1 TIP3 357 -33.820 41.735 -38.919 1.00 0.00 WAT1 ATOM 2578 H2 TIP3 357 -32.715 40.803 -38.447 1.00 0.00 WAT1 ATOM 2579 OH2 TIP3 358 -24.020 46.431 -28.299 1.00 0.00 WAT1 ATOM 2580 H1 TIP3 358 -23.685 47.306 -28.527 1.00 0.00 WAT1 ATOM 2581 H2 TIP3 358 -24.974 46.585 -28.108 1.00 0.00 WAT1 ATOM 2582 OH2 TIP3 359 -28.824 42.702 -29.580 1.00 0.00 WAT1 ATOM 2583 H1 TIP3 359 -29.750 42.430 -29.546 1.00 0.00 WAT1 ATOM 2584 H2 TIP3 359 -28.867 43.685 -29.676 1.00 0.00 WAT1 ATOM 2585 OH2 TIP3 360 -25.981 39.663 -27.035 1.00 0.00 WAT1 ATOM 2586 H1 TIP3 360 -26.801 39.825 -27.551 1.00 0.00 WAT1 ATOM 2587 H2 TIP3 360 -25.383 39.252 -27.670 1.00 0.00 WAT1 ATOM 2588 OH2 TIP3 361 -37.149 44.065 -28.798 1.00 0.00 WAT1 ATOM 2589 H1 TIP3 361 -37.132 44.281 -27.850 1.00 0.00 WAT1 ATOM 2590 H2 TIP3 361 -37.944 44.524 -29.131 1.00 0.00 WAT1 ATOM 2591 OH2 TIP3 362 -34.634 35.083 -24.811 1.00 0.00 WAT1 ATOM 2592 H1 TIP3 362 -33.809 35.254 -24.296 1.00 0.00 WAT1 ATOM 2593 H2 TIP3 362 -34.815 34.135 -24.665 1.00 0.00 WAT1 ATOM 2594 OH2 TIP3 363 -30.086 39.655 -26.995 1.00 0.00 WAT1 ATOM 2595 H1 TIP3 363 -30.978 39.481 -27.389 1.00 0.00 WAT1 ATOM 2596 H2 TIP3 363 -30.262 39.708 -26.024 1.00 0.00 WAT1 ATOM 2597 OH2 TIP3 364 -26.879 51.401 -27.141 1.00 0.00 WAT1 ATOM 2598 H1 TIP3 364 -26.417 52.207 -26.807 1.00 0.00 WAT1 ATOM 2599 H2 TIP3 364 -27.566 51.756 -27.745 1.00 0.00 WAT1 ATOM 2600 OH2 TIP3 365 -34.278 37.121 -31.292 1.00 0.00 WAT1 ATOM 2601 H1 TIP3 365 -34.125 36.176 -31.498 1.00 0.00 WAT1 ATOM 2602 H2 TIP3 365 -33.475 37.394 -30.819 1.00 0.00 WAT1 ATOM 2603 OH2 TIP3 366 -28.143 40.110 -28.795 1.00 0.00 WAT1 ATOM 2604 H1 TIP3 366 -28.869 40.026 -28.129 1.00 0.00 WAT1 ATOM 2605 H2 TIP3 366 -28.225 41.027 -29.120 1.00 0.00 WAT1 ATOM 2606 OH2 TIP3 367 -34.032 37.021 -26.747 1.00 0.00 WAT1 ATOM 2607 H1 TIP3 367 -34.097 36.378 -26.017 1.00 0.00 WAT1 ATOM 2608 H2 TIP3 367 -34.587 36.636 -27.454 1.00 0.00 WAT1 ATOM 2609 OH2 TIP3 368 -29.081 45.379 -29.890 1.00 0.00 WAT1 ATOM 2610 H1 TIP3 368 -29.279 45.930 -29.098 1.00 0.00 WAT1 ATOM 2611 H2 TIP3 368 -29.425 45.892 -30.626 1.00 0.00 WAT1 ATOM 2612 OH2 TIP3 369 -26.623 47.194 -27.788 1.00 0.00 WAT1 ATOM 2613 H1 TIP3 369 -27.351 47.094 -28.420 1.00 0.00 WAT1 ATOM 2614 H2 TIP3 369 -27.037 46.996 -26.916 1.00 0.00 WAT1 ATOM 2615 OH2 TIP3 370 -35.318 35.895 -28.926 1.00 0.00 WAT1 ATOM 2616 H1 TIP3 370 -35.255 36.539 -29.655 1.00 0.00 WAT1 ATOM 2617 H2 TIP3 370 -35.985 35.255 -29.232 1.00 0.00 WAT1 ATOM 2618 OH2 TIP3 371 -29.071 37.785 -30.128 1.00 0.00 WAT1 ATOM 2619 H1 TIP3 371 -28.647 38.466 -29.568 1.00 0.00 WAT1 ATOM 2620 H2 TIP3 371 -29.254 38.240 -30.954 1.00 0.00 WAT1 ATOM 2621 OH2 TIP3 372 -36.523 43.097 -21.630 1.00 0.00 WAT1 ATOM 2622 H1 TIP3 372 -36.547 42.472 -20.871 1.00 0.00 WAT1 ATOM 2623 H2 TIP3 372 -36.322 42.518 -22.400 1.00 0.00 WAT1 ATOM 2624 OH2 TIP3 373 -26.394 46.003 -23.344 1.00 0.00 WAT1 ATOM 2625 H1 TIP3 373 -26.875 45.484 -22.661 1.00 0.00 WAT1 ATOM 2626 H2 TIP3 373 -25.542 45.525 -23.448 1.00 0.00 WAT1 ATOM 2627 OH2 TIP3 374 -26.049 43.012 -29.553 1.00 0.00 WAT1 ATOM 2628 H1 TIP3 374 -25.904 42.941 -30.501 1.00 0.00 WAT1 ATOM 2629 H2 TIP3 374 -27.011 42.865 -29.445 1.00 0.00 WAT1 ATOM 2630 OH2 TIP3 375 -35.437 35.143 -34.114 1.00 0.00 WAT1 ATOM 2631 H1 TIP3 375 -35.658 34.675 -34.928 1.00 0.00 WAT1 ATOM 2632 H2 TIP3 375 -35.447 36.096 -34.375 1.00 0.00 WAT1 ATOM 2633 OH2 TIP3 376 -32.554 39.088 -27.945 1.00 0.00 WAT1 ATOM 2634 H1 TIP3 376 -33.092 38.399 -27.501 1.00 0.00 WAT1 ATOM 2635 H2 TIP3 376 -33.120 39.400 -28.683 1.00 0.00 WAT1 ATOM 2636 OH2 TIP3 377 -27.797 34.927 -24.784 1.00 0.00 WAT1 ATOM 2637 H1 TIP3 377 -27.522 35.852 -24.754 1.00 0.00 WAT1 ATOM 2638 H2 TIP3 377 -28.734 34.962 -25.077 1.00 0.00 WAT1 ATOM 2639 OH2 TIP3 378 -24.490 41.626 -25.727 1.00 0.00 WAT1 ATOM 2640 H1 TIP3 378 -24.529 42.400 -26.339 1.00 0.00 WAT1 ATOM 2641 H2 TIP3 378 -25.092 40.967 -26.137 1.00 0.00 WAT1 ATOM 2642 OH2 TIP3 379 -34.429 34.386 -31.688 1.00 0.00 WAT1 ATOM 2643 H1 TIP3 379 -34.661 34.504 -32.635 1.00 0.00 WAT1 ATOM 2644 H2 TIP3 379 -35.247 34.040 -31.284 1.00 0.00 WAT1 ATOM 2645 OH2 TIP3 380 -30.531 39.481 -24.331 1.00 0.00 WAT1 ATOM 2646 H1 TIP3 380 -31.200 39.395 -23.623 1.00 0.00 WAT1 ATOM 2647 H2 TIP3 380 -29.691 39.243 -23.891 1.00 0.00 WAT1 ATOM 2648 OH2 TIP3 381 -28.505 37.410 -27.004 1.00 0.00 WAT1 ATOM 2649 H1 TIP3 381 -29.077 38.209 -26.988 1.00 0.00 WAT1 ATOM 2650 H2 TIP3 381 -29.054 36.736 -27.454 1.00 0.00 WAT1 ATOM 2651 OH2 TIP3 382 -27.491 32.276 -24.450 1.00 0.00 WAT1 ATOM 2652 H1 TIP3 382 -27.477 33.246 -24.628 1.00 0.00 WAT1 ATOM 2653 H2 TIP3 382 -28.422 32.015 -24.648 1.00 0.00 WAT1 ATOM 2654 OH2 TIP3 383 -32.688 35.264 -29.628 1.00 0.00 WAT1 ATOM 2655 H1 TIP3 383 -32.991 34.712 -30.371 1.00 0.00 WAT1 ATOM 2656 H2 TIP3 383 -33.494 35.416 -29.102 1.00 0.00 WAT1 ATOM 2657 OH2 TIP3 384 -30.379 34.887 -25.794 1.00 0.00 WAT1 ATOM 2658 H1 TIP3 384 -30.438 35.187 -26.727 1.00 0.00 WAT1 ATOM 2659 H2 TIP3 384 -31.140 35.309 -25.359 1.00 0.00 WAT1 ATOM 2660 OH2 TIP3 385 -24.447 43.731 -27.471 1.00 0.00 WAT1 ATOM 2661 H1 TIP3 385 -25.029 43.439 -28.211 1.00 0.00 WAT1 ATOM 2662 H2 TIP3 385 -24.273 44.669 -27.664 1.00 0.00 WAT1 ATOM 2663 OH2 TIP3 386 -40.376 42.470 -33.176 1.00 0.00 WAT1 ATOM 2664 H1 TIP3 386 -40.531 42.391 -34.124 1.00 0.00 WAT1 ATOM 2665 H2 TIP3 386 -39.464 42.112 -33.049 1.00 0.00 WAT1 ATOM 2666 OH2 TIP3 387 -39.448 33.363 -31.503 1.00 0.00 WAT1 ATOM 2667 H1 TIP3 387 -40.299 32.995 -31.210 1.00 0.00 WAT1 ATOM 2668 H2 TIP3 387 -39.575 33.526 -32.461 1.00 0.00 WAT1 ATOM 2669 OH2 TIP3 388 -40.744 38.428 -30.895 1.00 0.00 WAT1 ATOM 2670 H1 TIP3 388 -41.267 38.968 -31.514 1.00 0.00 WAT1 ATOM 2671 H2 TIP3 388 -40.802 38.912 -30.052 1.00 0.00 WAT1 ATOM 2672 OH2 TIP3 389 -38.117 30.331 -30.242 1.00 0.00 WAT1 ATOM 2673 H1 TIP3 389 -37.326 30.746 -29.852 1.00 0.00 WAT1 ATOM 2674 H2 TIP3 389 -38.861 30.804 -29.824 1.00 0.00 WAT1 ATOM 2675 OH2 TIP3 390 -36.044 46.583 -27.278 1.00 0.00 WAT1 ATOM 2676 H1 TIP3 390 -36.658 46.021 -26.765 1.00 0.00 WAT1 ATOM 2677 H2 TIP3 390 -36.598 46.939 -28.008 1.00 0.00 WAT1 ATOM 2678 OH2 TIP3 391 -29.656 47.095 -27.884 1.00 0.00 WAT1 ATOM 2679 H1 TIP3 391 -29.529 47.110 -26.920 1.00 0.00 WAT1 ATOM 2680 H2 TIP3 391 -30.484 47.602 -28.022 1.00 0.00 WAT1 ATOM 2681 OH2 TIP3 392 -36.363 31.964 -28.665 1.00 0.00 WAT1 ATOM 2682 H1 TIP3 392 -35.502 31.638 -28.353 1.00 0.00 WAT1 ATOM 2683 H2 TIP3 392 -36.911 31.999 -27.849 1.00 0.00 WAT1 ATOM 2684 OH2 TIP3 393 -34.563 30.961 -26.459 1.00 0.00 WAT1 ATOM 2685 H1 TIP3 393 -35.013 31.399 -25.717 1.00 0.00 WAT1 ATOM 2686 H2 TIP3 393 -35.168 30.227 -26.706 1.00 0.00 WAT1 ATOM 2687 OH2 TIP3 394 -30.288 35.932 -28.451 1.00 0.00 WAT1 ATOM 2688 H1 TIP3 394 -31.156 35.683 -28.843 1.00 0.00 WAT1 ATOM 2689 H2 TIP3 394 -29.876 36.505 -29.134 1.00 0.00 WAT1 ATOM 2690 OH2 TIP3 395 -25.475 49.221 -26.252 1.00 0.00 WAT1 ATOM 2691 H1 TIP3 395 -25.780 48.558 -26.900 1.00 0.00 WAT1 ATOM 2692 H2 TIP3 395 -25.756 50.078 -26.634 1.00 0.00 WAT1 ATOM 2693 OH2 TIP3 396 -36.672 42.904 -18.010 1.00 0.00 WAT1 ATOM 2694 H1 TIP3 396 -37.198 42.377 -17.383 1.00 0.00 WAT1 ATOM 2695 H2 TIP3 396 -36.542 42.298 -18.779 1.00 0.00 WAT1 ATOM 2696 OH2 TIP3 397 -36.309 45.638 -17.648 1.00 0.00 WAT1 ATOM 2697 H1 TIP3 397 -36.394 44.655 -17.686 1.00 0.00 WAT1 ATOM 2698 H2 TIP3 397 -36.986 45.957 -18.280 1.00 0.00 WAT1 ATOM 2699 OH2 TIP3 398 -37.538 36.238 -14.743 1.00 0.00 WAT1 ATOM 2700 H1 TIP3 398 -38.023 35.746 -14.072 1.00 0.00 WAT1 ATOM 2701 H2 TIP3 398 -37.982 37.122 -14.766 1.00 0.00 WAT1 ATOM 2702 OH2 TIP3 399 -33.943 36.987 -18.669 1.00 0.00 WAT1 ATOM 2703 H1 TIP3 399 -34.407 37.842 -18.536 1.00 0.00 WAT1 ATOM 2704 H2 TIP3 399 -34.455 36.549 -19.359 1.00 0.00 WAT1 ATOM 2705 OH2 TIP3 400 -32.212 45.988 -15.445 1.00 0.00 WAT1 ATOM 2706 H1 TIP3 400 -32.629 45.990 -16.337 1.00 0.00 WAT1 ATOM 2707 H2 TIP3 400 -32.966 45.887 -14.833 1.00 0.00 WAT1 ATOM 2708 OH2 TIP3 401 -40.245 43.220 -23.824 1.00 0.00 WAT1 ATOM 2709 H1 TIP3 401 -39.541 43.863 -23.595 1.00 0.00 WAT1 ATOM 2710 H2 TIP3 401 -40.108 43.048 -24.785 1.00 0.00 WAT1 ATOM 2711 OH2 TIP3 402 -27.235 30.773 -17.915 1.00 0.00 WAT1 ATOM 2712 H1 TIP3 402 -28.127 30.811 -18.286 1.00 0.00 WAT1 ATOM 2713 H2 TIP3 402 -26.854 31.654 -18.121 1.00 0.00 WAT1 ATOM 2714 OH2 TIP3 403 -35.357 34.524 -16.958 1.00 0.00 WAT1 ATOM 2715 H1 TIP3 403 -35.113 35.281 -16.387 1.00 0.00 WAT1 ATOM 2716 H2 TIP3 403 -36.284 34.704 -17.213 1.00 0.00 WAT1 ATOM 2717 OH2 TIP3 404 -33.630 46.434 -17.749 1.00 0.00 WAT1 ATOM 2718 H1 TIP3 404 -34.532 46.051 -17.779 1.00 0.00 WAT1 ATOM 2719 H2 TIP3 404 -33.779 47.392 -17.736 1.00 0.00 WAT1 ATOM 2720 OH2 TIP3 405 -34.232 41.710 -17.533 1.00 0.00 WAT1 ATOM 2721 H1 TIP3 405 -34.489 40.959 -18.109 1.00 0.00 WAT1 ATOM 2722 H2 TIP3 405 -34.942 42.366 -17.673 1.00 0.00 WAT1 ATOM 2723 OH2 TIP3 406 -29.989 45.767 -13.667 1.00 0.00 WAT1 ATOM 2724 H1 TIP3 406 -30.603 46.076 -14.364 1.00 0.00 WAT1 ATOM 2725 H2 TIP3 406 -29.492 46.579 -13.402 1.00 0.00 WAT1 ATOM 2726 OH2 TIP3 407 -33.927 41.636 -14.828 1.00 0.00 WAT1 ATOM 2727 H1 TIP3 407 -33.886 41.696 -15.811 1.00 0.00 WAT1 ATOM 2728 H2 TIP3 407 -34.607 42.282 -14.582 1.00 0.00 WAT1 ATOM 2729 OH2 TIP3 408 -32.017 45.052 -12.047 1.00 0.00 WAT1 ATOM 2730 H1 TIP3 408 -31.635 44.362 -11.469 1.00 0.00 WAT1 ATOM 2731 H2 TIP3 408 -31.274 45.320 -12.622 1.00 0.00 WAT1 ATOM 2732 OH2 TIP3 409 -27.900 31.952 -21.747 1.00 0.00 WAT1 ATOM 2733 H1 TIP3 409 -28.542 31.217 -21.706 1.00 0.00 WAT1 ATOM 2734 H2 TIP3 409 -27.759 32.092 -22.707 1.00 0.00 WAT1 ATOM 2735 OH2 TIP3 410 -28.590 47.607 -12.290 1.00 0.00 WAT1 ATOM 2736 H1 TIP3 410 -27.779 47.073 -12.175 1.00 0.00 WAT1 ATOM 2737 H2 TIP3 410 -28.855 47.848 -11.377 1.00 0.00 WAT1 ATOM 2738 OH2 TIP3 411 -26.949 51.495 -22.661 1.00 0.00 WAT1 ATOM 2739 H1 TIP3 411 -26.792 52.050 -23.430 1.00 0.00 WAT1 ATOM 2740 H2 TIP3 411 -27.897 51.261 -22.724 1.00 0.00 WAT1 ATOM 2741 OH2 TIP3 412 -35.878 52.938 -17.317 1.00 0.00 WAT1 ATOM 2742 H1 TIP3 412 -36.721 53.260 -16.981 1.00 0.00 WAT1 ATOM 2743 H2 TIP3 412 -36.014 51.962 -17.415 1.00 0.00 WAT1 ATOM 2744 OH2 TIP3 413 -34.869 36.506 -15.043 1.00 0.00 WAT1 ATOM 2745 H1 TIP3 413 -34.784 37.425 -15.398 1.00 0.00 WAT1 ATOM 2746 H2 TIP3 413 -35.832 36.405 -14.872 1.00 0.00 WAT1 ATOM 2747 OH2 TIP3 414 -30.784 35.822 -13.349 1.00 0.00 WAT1 ATOM 2748 H1 TIP3 414 -31.211 34.983 -13.561 1.00 0.00 WAT1 ATOM 2749 H2 TIP3 414 -30.604 35.764 -12.380 1.00 0.00 WAT1 ATOM 2750 OH2 TIP3 415 -28.629 34.205 -9.016 1.00 0.00 WAT1 ATOM 2751 H1 TIP3 415 -28.637 33.890 -8.086 1.00 0.00 WAT1 ATOM 2752 H2 TIP3 415 -28.274 35.112 -8.957 1.00 0.00 WAT1 ATOM 2753 OH2 TIP3 416 -28.759 46.267 -19.763 1.00 0.00 WAT1 ATOM 2754 H1 TIP3 416 -28.295 45.789 -20.476 1.00 0.00 WAT1 ATOM 2755 H2 TIP3 416 -28.913 47.159 -20.128 1.00 0.00 WAT1 ATOM 2756 OH2 TIP3 417 -30.142 32.296 -24.801 1.00 0.00 WAT1 ATOM 2757 H1 TIP3 417 -31.065 32.057 -24.608 1.00 0.00 WAT1 ATOM 2758 H2 TIP3 417 -30.207 33.186 -25.206 1.00 0.00 WAT1 ATOM 2759 OH2 TIP3 418 -34.682 38.995 -16.001 1.00 0.00 WAT1 ATOM 2760 H1 TIP3 418 -34.351 39.850 -15.684 1.00 0.00 WAT1 ATOM 2761 H2 TIP3 418 -34.957 39.170 -16.929 1.00 0.00 WAT1 ATOM 2762 OH2 TIP3 419 -36.338 43.838 -14.939 1.00 0.00 WAT1 ATOM 2763 H1 TIP3 419 -35.969 44.662 -15.282 1.00 0.00 WAT1 ATOM 2764 H2 TIP3 419 -36.161 43.879 -13.975 1.00 0.00 WAT1 ATOM 2765 OH2 TIP3 420 -32.238 35.644 -23.462 1.00 0.00 WAT1 ATOM 2766 H1 TIP3 420 -32.472 35.228 -22.600 1.00 0.00 WAT1 ATOM 2767 H2 TIP3 420 -31.377 36.069 -23.290 1.00 0.00 WAT1 ATOM 2768 OH2 TIP3 421 -40.245 36.944 -17.320 1.00 0.00 WAT1 ATOM 2769 H1 TIP3 421 -40.884 37.023 -18.063 1.00 0.00 WAT1 ATOM 2770 H2 TIP3 421 -40.449 37.708 -16.753 1.00 0.00 WAT1 ATOM 2771 OH2 TIP3 422 -31.168 37.047 -20.012 1.00 0.00 WAT1 ATOM 2772 H1 TIP3 422 -31.291 37.973 -19.731 1.00 0.00 WAT1 ATOM 2773 H2 TIP3 422 -31.935 36.585 -19.643 1.00 0.00 WAT1 ATOM 2774 OH2 TIP3 423 -29.541 35.611 -15.989 1.00 0.00 WAT1 ATOM 2775 H1 TIP3 423 -30.133 36.314 -16.344 1.00 0.00 WAT1 ATOM 2776 H2 TIP3 423 -29.705 35.631 -15.030 1.00 0.00 WAT1 ATOM 2777 OH2 TIP3 424 -35.407 43.989 -12.378 1.00 0.00 WAT1 ATOM 2778 H1 TIP3 424 -35.453 43.025 -12.169 1.00 0.00 WAT1 ATOM 2779 H2 TIP3 424 -35.090 44.399 -11.541 1.00 0.00 WAT1 ATOM 2780 OH2 TIP3 425 -31.334 37.574 -16.746 1.00 0.00 WAT1 ATOM 2781 H1 TIP3 425 -32.279 37.372 -16.678 1.00 0.00 WAT1 ATOM 2782 H2 TIP3 425 -31.279 38.202 -17.485 1.00 0.00 WAT1 ATOM 2783 OH2 TIP3 426 -29.986 39.050 -13.338 1.00 0.00 WAT1 ATOM 2784 H1 TIP3 426 -30.182 38.114 -13.498 1.00 0.00 WAT1 ATOM 2785 H2 TIP3 426 -30.865 39.454 -13.173 1.00 0.00 WAT1 ATOM 2786 OH2 TIP3 427 -22.127 34.713 -24.237 1.00 0.00 WAT1 ATOM 2787 H1 TIP3 427 -22.805 34.286 -24.806 1.00 0.00 WAT1 ATOM 2788 H2 TIP3 427 -21.582 35.209 -24.852 1.00 0.00 WAT1 ATOM 2789 OH2 TIP3 428 -33.874 46.913 -20.620 1.00 0.00 WAT1 ATOM 2790 H1 TIP3 428 -33.471 47.788 -20.801 1.00 0.00 WAT1 ATOM 2791 H2 TIP3 428 -33.448 46.621 -19.801 1.00 0.00 WAT1 ATOM 2792 OH2 TIP3 429 -30.985 48.773 -22.656 1.00 0.00 WAT1 ATOM 2793 H1 TIP3 429 -30.624 49.640 -22.947 1.00 0.00 WAT1 ATOM 2794 H2 TIP3 429 -31.739 49.009 -22.071 1.00 0.00 WAT1 ATOM 2795 OH2 TIP3 430 -28.317 38.540 -23.110 1.00 0.00 WAT1 ATOM 2796 H1 TIP3 430 -28.807 37.714 -22.890 1.00 0.00 WAT1 ATOM 2797 H2 TIP3 430 -27.678 38.266 -23.796 1.00 0.00 WAT1 ATOM 2798 OH2 TIP3 431 -27.369 44.406 -21.328 1.00 0.00 WAT1 ATOM 2799 H1 TIP3 431 -26.582 43.832 -21.453 1.00 0.00 WAT1 ATOM 2800 H2 TIP3 431 -27.969 43.867 -20.774 1.00 0.00 WAT1 ATOM 2801 OH2 TIP3 432 -30.435 35.559 -10.657 1.00 0.00 WAT1 ATOM 2802 H1 TIP3 432 -29.785 34.953 -10.240 1.00 0.00 WAT1 ATOM 2803 H2 TIP3 432 -31.177 35.588 -10.014 1.00 0.00 WAT1 ATOM 2804 OH2 TIP3 433 -29.727 36.394 -22.194 1.00 0.00 WAT1 ATOM 2805 H1 TIP3 433 -30.327 36.693 -21.468 1.00 0.00 WAT1 ATOM 2806 H2 TIP3 433 -29.291 35.595 -21.825 1.00 0.00 WAT1 ATOM 2807 OH2 TIP3 434 -36.357 45.928 -21.287 1.00 0.00 WAT1 ATOM 2808 H1 TIP3 434 -35.467 46.336 -21.147 1.00 0.00 WAT1 ATOM 2809 H2 TIP3 434 -36.175 44.967 -21.327 1.00 0.00 WAT1 ATOM 2810 OH2 TIP3 435 -38.035 44.754 -23.256 1.00 0.00 WAT1 ATOM 2811 H1 TIP3 435 -37.669 45.571 -22.876 1.00 0.00 WAT1 ATOM 2812 H2 TIP3 435 -37.621 44.041 -22.724 1.00 0.00 WAT1 ATOM 2813 OH2 TIP3 436 -37.949 35.463 -17.333 1.00 0.00 WAT1 ATOM 2814 H1 TIP3 436 -37.702 35.796 -16.445 1.00 0.00 WAT1 ATOM 2815 H2 TIP3 436 -38.832 35.865 -17.497 1.00 0.00 WAT1 ATOM 2816 OH2 TIP3 437 -38.434 48.921 -18.620 1.00 0.00 WAT1 ATOM 2817 H1 TIP3 437 -39.243 49.233 -19.035 1.00 0.00 WAT1 ATOM 2818 H2 TIP3 437 -38.387 47.972 -18.868 1.00 0.00 WAT1 ATOM 2819 OH2 TIP3 438 -29.800 45.733 -9.150 1.00 0.00 WAT1 ATOM 2820 H1 TIP3 438 -29.002 45.222 -8.911 1.00 0.00 WAT1 ATOM 2821 H2 TIP3 438 -30.386 45.070 -9.572 1.00 0.00 WAT1 ATOM 2822 OH2 TIP3 439 -27.918 46.996 -25.394 1.00 0.00 WAT1 ATOM 2823 H1 TIP3 439 -27.394 46.591 -24.666 1.00 0.00 WAT1 ATOM 2824 H2 TIP3 439 -28.848 46.948 -25.076 1.00 0.00 WAT1 ATOM 2825 OH2 TIP3 440 -25.317 48.596 -23.578 1.00 0.00 WAT1 ATOM 2826 H1 TIP3 440 -25.322 48.844 -24.533 1.00 0.00 WAT1 ATOM 2827 H2 TIP3 440 -25.716 47.705 -23.561 1.00 0.00 WAT1 ATOM 2828 OH2 TIP3 441 -30.637 40.688 -10.234 1.00 0.00 WAT1 ATOM 2829 H1 TIP3 441 -30.236 39.787 -10.165 1.00 0.00 WAT1 ATOM 2830 H2 TIP3 441 -31.109 40.672 -11.092 1.00 0.00 WAT1 ATOM 2831 OH2 TIP3 442 -32.177 40.612 -12.696 1.00 0.00 WAT1 ATOM 2832 H1 TIP3 442 -32.714 41.059 -13.382 1.00 0.00 WAT1 ATOM 2833 H2 TIP3 442 -32.839 40.144 -12.142 1.00 0.00 WAT1 ATOM 2834 OH2 TIP3 443 -23.949 40.918 -23.055 1.00 0.00 WAT1 ATOM 2835 H1 TIP3 443 -24.454 41.573 -22.526 1.00 0.00 WAT1 ATOM 2836 H2 TIP3 443 -24.218 41.102 -23.978 1.00 0.00 WAT1 ATOM 2837 OH2 TIP3 444 -35.746 37.799 -7.726 1.00 0.00 WAT1 ATOM 2838 H1 TIP3 444 -36.106 38.648 -7.445 1.00 0.00 WAT1 ATOM 2839 H2 TIP3 444 -36.486 37.190 -7.651 1.00 0.00 WAT1 ATOM 2840 OH2 TIP3 445 -33.187 37.300 -12.989 1.00 0.00 WAT1 ATOM 2841 H1 TIP3 445 -33.793 36.962 -13.680 1.00 0.00 WAT1 ATOM 2842 H2 TIP3 445 -32.325 36.911 -13.218 1.00 0.00 WAT1 ATOM 2843 OH2 TIP3 446 -33.918 39.145 -11.137 1.00 0.00 WAT1 ATOM 2844 H1 TIP3 446 -33.657 38.790 -10.259 1.00 0.00 WAT1 ATOM 2845 H2 TIP3 446 -33.758 38.393 -11.757 1.00 0.00 WAT1 ATOM 2846 OH2 TIP3 447 -30.303 35.885 -6.638 1.00 0.00 WAT1 ATOM 2847 H1 TIP3 447 -29.340 36.038 -6.568 1.00 0.00 WAT1 ATOM 2848 H2 TIP3 447 -30.614 35.922 -5.713 1.00 0.00 WAT1 ATOM 2849 OH2 TIP3 448 -27.282 36.670 -9.274 1.00 0.00 WAT1 ATOM 2850 H1 TIP3 448 -26.784 36.623 -10.100 1.00 0.00 WAT1 ATOM 2851 H2 TIP3 448 -26.611 36.505 -8.579 1.00 0.00 WAT1 ATOM 2852 OH2 TIP3 449 -27.219 31.817 -9.323 1.00 0.00 WAT1 ATOM 2853 H1 TIP3 449 -27.654 31.316 -8.604 1.00 0.00 WAT1 ATOM 2854 H2 TIP3 449 -27.692 32.673 -9.336 1.00 0.00 WAT1 ATOM 2855 OH2 TIP3 450 -29.522 50.892 -23.578 1.00 0.00 WAT1 ATOM 2856 H1 TIP3 450 -29.101 50.397 -24.315 1.00 0.00 WAT1 ATOM 2857 H2 TIP3 450 -29.932 51.669 -24.018 1.00 0.00 WAT1 ATOM 2858 OH2 TIP3 451 -39.730 42.825 -26.466 1.00 0.00 WAT1 ATOM 2859 H1 TIP3 451 -39.163 42.061 -26.732 1.00 0.00 WAT1 ATOM 2860 H2 TIP3 451 -40.382 42.905 -27.195 1.00 0.00 WAT1 ATOM 2861 OH2 TIP3 452 -25.051 42.971 -21.577 1.00 0.00 WAT1 ATOM 2862 H1 TIP3 452 -24.553 43.642 -22.090 1.00 0.00 WAT1 ATOM 2863 H2 TIP3 452 -24.663 43.018 -20.673 1.00 0.00 WAT1 ATOM 2864 OH2 TIP3 453 -24.163 43.017 -18.989 1.00 0.00 WAT1 ATOM 2865 H1 TIP3 453 -24.736 43.371 -18.277 1.00 0.00 WAT1 ATOM 2866 H2 TIP3 453 -23.948 42.101 -18.690 1.00 0.00 WAT1 ATOM 2867 OH2 TIP3 454 -22.943 39.469 -20.919 1.00 0.00 WAT1 ATOM 2868 H1 TIP3 454 -22.673 38.598 -21.233 1.00 0.00 WAT1 ATOM 2869 H2 TIP3 454 -23.307 39.911 -21.719 1.00 0.00 WAT1 ATOM 2870 OH2 TIP3 455 -26.657 37.702 -25.155 1.00 0.00 WAT1 ATOM 2871 H1 TIP3 455 -26.182 38.505 -25.443 1.00 0.00 WAT1 ATOM 2872 H2 TIP3 455 -27.373 37.596 -25.834 1.00 0.00 WAT1 ATOM 2873 OH2 TIP3 456 -38.932 43.619 -15.829 1.00 0.00 WAT1 ATOM 2874 H1 TIP3 456 -38.009 43.537 -15.502 1.00 0.00 WAT1 ATOM 2875 H2 TIP3 456 -39.148 44.546 -15.691 1.00 0.00 WAT1 ATOM 2876 OH2 TIP3 457 -25.501 35.749 -26.755 1.00 0.00 WAT1 ATOM 2877 H1 TIP3 457 -26.276 35.741 -27.333 1.00 0.00 WAT1 ATOM 2878 H2 TIP3 457 -25.733 36.390 -26.056 1.00 0.00 WAT1 ATOM 2879 OH2 TIP3 458 -24.037 35.551 -18.697 1.00 0.00 WAT1 ATOM 2880 H1 TIP3 458 -23.278 35.168 -19.184 1.00 0.00 WAT1 ATOM 2881 H2 TIP3 458 -24.073 35.034 -17.873 1.00 0.00 WAT1 ATOM 2882 OH2 TIP3 459 -37.563 40.318 -16.948 1.00 0.00 WAT1 ATOM 2883 H1 TIP3 459 -36.886 40.015 -17.591 1.00 0.00 WAT1 ATOM 2884 H2 TIP3 459 -37.627 39.587 -16.310 1.00 0.00 WAT1 ATOM 2885 OH2 TIP3 460 -38.534 38.738 -14.736 1.00 0.00 WAT1 ATOM 2886 H1 TIP3 460 -39.453 38.844 -15.074 1.00 0.00 WAT1 ATOM 2887 H2 TIP3 460 -38.414 39.485 -14.138 1.00 0.00 WAT1 ATOM 2888 OH2 TIP3 461 -24.997 32.302 -23.425 1.00 0.00 WAT1 ATOM 2889 H1 TIP3 461 -24.498 32.792 -24.108 1.00 0.00 WAT1 ATOM 2890 H2 TIP3 461 -25.877 32.146 -23.838 1.00 0.00 WAT1 ATOM 2891 OH2 TIP3 462 -42.317 34.273 -25.288 1.00 0.00 WAT1 ATOM 2892 H1 TIP3 462 -42.402 33.307 -25.142 1.00 0.00 WAT1 ATOM 2893 H2 TIP3 462 -43.238 34.609 -25.209 1.00 0.00 WAT1 ATOM 2894 OH2 TIP3 463 -34.618 46.145 -13.935 1.00 0.00 WAT1 ATOM 2895 H1 TIP3 463 -34.897 45.358 -13.414 1.00 0.00 WAT1 ATOM 2896 H2 TIP3 463 -34.217 46.730 -13.276 1.00 0.00 WAT1 ATOM 2897 OH2 TIP3 464 -33.215 49.364 -16.155 1.00 0.00 WAT1 ATOM 2898 H1 TIP3 464 -33.411 50.296 -15.931 1.00 0.00 WAT1 ATOM 2899 H2 TIP3 464 -34.071 48.910 -16.051 1.00 0.00 WAT1 ATOM 2900 OH2 TIP3 465 -36.351 50.279 -17.534 1.00 0.00 WAT1 ATOM 2901 H1 TIP3 465 -37.133 49.878 -17.985 1.00 0.00 WAT1 ATOM 2902 H2 TIP3 465 -36.044 49.577 -16.931 1.00 0.00 WAT1 ATOM 2903 OH2 TIP3 466 -35.588 47.892 -16.055 1.00 0.00 WAT1 ATOM 2904 H1 TIP3 466 -36.024 47.243 -16.644 1.00 0.00 WAT1 ATOM 2905 H2 TIP3 466 -35.345 47.370 -15.266 1.00 0.00 WAT1 ATOM 2906 OH2 TIP3 467 -33.626 32.556 -16.405 1.00 0.00 WAT1 ATOM 2907 H1 TIP3 467 -34.330 33.233 -16.529 1.00 0.00 WAT1 ATOM 2908 H2 TIP3 467 -34.107 31.735 -16.289 1.00 0.00 WAT1 ATOM 2909 OH2 TIP3 468 -23.947 33.420 -16.837 1.00 0.00 WAT1 ATOM 2910 H1 TIP3 468 -23.269 32.731 -16.909 1.00 0.00 WAT1 ATOM 2911 H2 TIP3 468 -23.694 33.917 -16.027 1.00 0.00 WAT1 ATOM 2912 OH2 TIP3 469 -25.350 34.027 -21.293 1.00 0.00 WAT1 ATOM 2913 H1 TIP3 469 -25.385 33.336 -21.984 1.00 0.00 WAT1 ATOM 2914 H2 TIP3 469 -24.508 34.506 -21.479 1.00 0.00 WAT1 ATOM 2915 OH2 TIP3 470 -38.706 33.964 -19.789 1.00 0.00 WAT1 ATOM 2916 H1 TIP3 470 -38.245 34.471 -20.491 1.00 0.00 WAT1 ATOM 2917 H2 TIP3 470 -38.358 34.337 -18.960 1.00 0.00 WAT1 ATOM 2918 OH2 TIP3 471 -37.469 35.399 -24.849 1.00 0.00 WAT1 ATOM 2919 H1 TIP3 471 -36.496 35.291 -24.903 1.00 0.00 WAT1 ATOM 2920 H2 TIP3 471 -37.662 36.142 -25.461 1.00 0.00 WAT1 ATOM 2921 OH2 TIP3 472 -32.631 34.407 -18.348 1.00 0.00 WAT1 ATOM 2922 H1 TIP3 472 -33.207 35.168 -18.139 1.00 0.00 WAT1 ATOM 2923 H2 TIP3 472 -32.911 33.714 -17.712 1.00 0.00 WAT1 ATOM 2924 OH2 TIP3 473 -27.237 35.475 -17.479 1.00 0.00 WAT1 ATOM 2925 H1 TIP3 473 -27.987 35.457 -16.847 1.00 0.00 WAT1 ATOM 2926 H2 TIP3 473 -27.005 34.534 -17.605 1.00 0.00 WAT1 ATOM 2927 OH2 TIP3 474 -28.440 34.459 -20.702 1.00 0.00 WAT1 ATOM 2928 H1 TIP3 474 -28.226 33.565 -21.054 1.00 0.00 WAT1 ATOM 2929 H2 TIP3 474 -28.972 34.277 -19.898 1.00 0.00 WAT1 ATOM 2930 OH2 TIP3 475 -30.593 47.261 -24.940 1.00 0.00 WAT1 ATOM 2931 H1 TIP3 475 -30.665 47.809 -24.124 1.00 0.00 WAT1 ATOM 2932 H2 TIP3 475 -31.491 46.941 -25.086 1.00 0.00 WAT1 ATOM 2933 OH2 TIP3 476 -37.744 44.724 -26.072 1.00 0.00 WAT1 ATOM 2934 H1 TIP3 476 -37.744 44.809 -25.098 1.00 0.00 WAT1 ATOM 2935 H2 TIP3 476 -38.494 44.120 -26.257 1.00 0.00 WAT1 ATOM 2936 OH2 TIP3 477 -23.991 28.511 -5.918 1.00 0.00 WAT1 ATOM 2937 H1 TIP3 477 -23.176 28.533 -5.352 1.00 0.00 WAT1 ATOM 2938 H2 TIP3 477 -23.834 27.750 -6.521 1.00 0.00 WAT1 ATOM 2939 OH2 TIP3 478 -28.960 42.864 -3.652 1.00 0.00 WAT1 ATOM 2940 H1 TIP3 478 -29.177 41.908 -3.538 1.00 0.00 WAT1 ATOM 2941 H2 TIP3 478 -28.346 42.877 -4.415 1.00 0.00 WAT1 ATOM 2942 OH2 TIP3 479 -24.892 43.962 -3.178 1.00 0.00 WAT1 ATOM 2943 H1 TIP3 479 -24.457 43.701 -2.334 1.00 0.00 WAT1 ATOM 2944 H2 TIP3 479 -25.766 44.302 -2.901 1.00 0.00 WAT1 ATOM 2945 OH2 TIP3 480 -24.336 36.177 2.443 1.00 0.00 WAT1 ATOM 2946 H1 TIP3 480 -24.631 36.717 3.197 1.00 0.00 WAT1 ATOM 2947 H2 TIP3 480 -24.392 35.258 2.775 1.00 0.00 WAT1 ATOM 2948 OH2 TIP3 481 -27.932 32.912 -3.716 1.00 0.00 WAT1 ATOM 2949 H1 TIP3 481 -28.894 32.972 -3.545 1.00 0.00 WAT1 ATOM 2950 H2 TIP3 481 -27.538 33.497 -3.041 1.00 0.00 WAT1 ATOM 2951 OH2 TIP3 482 -29.233 40.141 -3.783 1.00 0.00 WAT1 ATOM 2952 H1 TIP3 482 -28.716 39.371 -3.512 1.00 0.00 WAT1 ATOM 2953 H2 TIP3 482 -30.035 39.759 -4.200 1.00 0.00 WAT1 ATOM 2954 OH2 TIP3 483 -25.899 32.708 1.669 1.00 0.00 WAT1 ATOM 2955 H1 TIP3 483 -25.332 33.148 2.350 1.00 0.00 WAT1 ATOM 2956 H2 TIP3 483 -26.108 31.840 2.065 1.00 0.00 WAT1 ATOM 2957 OH2 TIP3 484 -31.897 31.938 2.948 1.00 0.00 WAT1 ATOM 2958 H1 TIP3 484 -32.744 32.302 2.676 1.00 0.00 WAT1 ATOM 2959 H2 TIP3 484 -32.101 31.008 3.182 1.00 0.00 WAT1 ATOM 2960 OH2 TIP3 485 -26.953 46.965 -3.986 1.00 0.00 WAT1 ATOM 2961 H1 TIP3 485 -26.010 47.188 -3.818 1.00 0.00 WAT1 ATOM 2962 H2 TIP3 485 -27.120 46.192 -3.408 1.00 0.00 WAT1 ATOM 2963 OH2 TIP3 486 -22.507 45.172 -3.874 1.00 0.00 WAT1 ATOM 2964 H1 TIP3 486 -21.863 44.653 -3.350 1.00 0.00 WAT1 ATOM 2965 H2 TIP3 486 -23.356 44.699 -3.742 1.00 0.00 WAT1 ATOM 2966 OH2 TIP3 487 -24.377 41.736 1.694 1.00 0.00 WAT1 ATOM 2967 H1 TIP3 487 -23.799 42.501 1.878 1.00 0.00 WAT1 ATOM 2968 H2 TIP3 487 -24.423 41.704 0.733 1.00 0.00 WAT1 ATOM 2969 OH2 TIP3 488 -31.496 39.098 -4.986 1.00 0.00 WAT1 ATOM 2970 H1 TIP3 488 -31.425 39.243 -5.955 1.00 0.00 WAT1 ATOM 2971 H2 TIP3 488 -32.318 39.544 -4.742 1.00 0.00 WAT1 ATOM 2972 OH2 TIP3 489 -31.694 39.960 -7.681 1.00 0.00 WAT1 ATOM 2973 H1 TIP3 489 -32.255 39.224 -8.020 1.00 0.00 WAT1 ATOM 2974 H2 TIP3 489 -31.228 40.283 -8.475 1.00 0.00 WAT1 ATOM 2975 OH2 TIP3 490 -26.828 38.937 -2.104 1.00 0.00 WAT1 ATOM 2976 H1 TIP3 490 -26.768 39.900 -2.116 1.00 0.00 WAT1 ATOM 2977 H2 TIP3 490 -26.405 38.681 -1.273 1.00 0.00 WAT1 ATOM 2978 OH2 TIP3 491 -24.979 36.942 5.129 1.00 0.00 WAT1 ATOM 2979 H1 TIP3 491 -24.996 37.772 5.625 1.00 0.00 WAT1 ATOM 2980 H2 TIP3 491 -25.414 36.297 5.726 1.00 0.00 WAT1 ATOM 2981 OH2 TIP3 492 -30.774 43.901 -5.431 1.00 0.00 WAT1 ATOM 2982 H1 TIP3 492 -30.266 43.587 -4.652 1.00 0.00 WAT1 ATOM 2983 H2 TIP3 492 -31.245 44.687 -5.108 1.00 0.00 WAT1 ATOM 2984 OH2 TIP3 493 -23.716 51.905 -5.463 1.00 0.00 WAT1 ATOM 2985 H1 TIP3 493 -23.999 52.600 -6.091 1.00 0.00 WAT1 ATOM 2986 H2 TIP3 493 -24.272 51.135 -5.688 1.00 0.00 WAT1 ATOM 2987 OH2 TIP3 494 -27.401 49.648 -8.177 1.00 0.00 WAT1 ATOM 2988 H1 TIP3 494 -26.534 49.644 -8.639 1.00 0.00 WAT1 ATOM 2989 H2 TIP3 494 -27.317 48.930 -7.510 1.00 0.00 WAT1 ATOM 2990 OH2 TIP3 495 -22.287 36.416 4.998 1.00 0.00 WAT1 ATOM 2991 H1 TIP3 495 -23.265 36.423 5.053 1.00 0.00 WAT1 ATOM 2992 H2 TIP3 495 -22.077 35.564 4.545 1.00 0.00 WAT1 ATOM 2993 OH2 TIP3 496 -25.043 32.715 6.121 1.00 0.00 WAT1 ATOM 2994 H1 TIP3 496 -25.556 31.904 6.048 1.00 0.00 WAT1 ATOM 2995 H2 TIP3 496 -24.114 32.402 6.257 1.00 0.00 WAT1 ATOM 2996 OH2 TIP3 497 -21.580 36.320 1.911 1.00 0.00 WAT1 ATOM 2997 H1 TIP3 497 -21.534 35.507 2.452 1.00 0.00 WAT1 ATOM 2998 H2 TIP3 497 -22.534 36.524 1.876 1.00 0.00 WAT1 ATOM 2999 OH2 TIP3 498 -29.525 38.216 -10.001 1.00 0.00 WAT1 ATOM 3000 H1 TIP3 498 -30.015 37.461 -10.374 1.00 0.00 WAT1 ATOM 3001 H2 TIP3 498 -28.758 37.804 -9.561 1.00 0.00 WAT1 ATOM 3002 OH2 TIP3 499 -30.675 36.448 -3.954 1.00 0.00 WAT1 ATOM 3003 H1 TIP3 499 -29.756 36.663 -3.694 1.00 0.00 WAT1 ATOM 3004 H2 TIP3 499 -31.064 37.310 -4.198 1.00 0.00 WAT1 ATOM 3005 OH2 TIP3 500 -28.211 33.932 0.791 1.00 0.00 WAT1 ATOM 3006 H1 TIP3 500 -27.376 33.498 1.066 1.00 0.00 WAT1 ATOM 3007 H2 TIP3 500 -28.812 33.784 1.545 1.00 0.00 WAT1 ATOM 3008 OH2 TIP3 501 -28.217 35.099 5.060 1.00 0.00 WAT1 ATOM 3009 H1 TIP3 501 -28.238 35.876 4.494 1.00 0.00 WAT1 ATOM 3010 H2 TIP3 501 -28.693 34.417 4.548 1.00 0.00 WAT1 ATOM 3011 OH2 TIP3 502 -32.724 42.079 -6.272 1.00 0.00 WAT1 ATOM 3012 H1 TIP3 502 -32.363 41.319 -6.774 1.00 0.00 WAT1 ATOM 3013 H2 TIP3 502 -31.935 42.541 -5.932 1.00 0.00 WAT1 ATOM 3014 OH2 TIP3 503 -22.602 43.896 1.596 1.00 0.00 WAT1 ATOM 3015 H1 TIP3 503 -22.414 44.560 2.270 1.00 0.00 WAT1 ATOM 3016 H2 TIP3 503 -21.752 43.396 1.505 1.00 0.00 WAT1 ATOM 3017 OH2 TIP3 504 -27.656 36.180 -5.995 1.00 0.00 WAT1 ATOM 3018 H1 TIP3 504 -27.660 36.453 -5.050 1.00 0.00 WAT1 ATOM 3019 H2 TIP3 504 -26.760 36.400 -6.307 1.00 0.00 WAT1 ATOM 3020 OH2 TIP3 505 -27.955 36.792 -3.332 1.00 0.00 WAT1 ATOM 3021 H1 TIP3 505 -27.755 36.022 -2.748 1.00 0.00 WAT1 ATOM 3022 H2 TIP3 505 -27.511 37.549 -2.888 1.00 0.00 WAT1 ATOM 3023 OH2 TIP3 506 -22.494 39.032 4.261 1.00 0.00 WAT1 ATOM 3024 H1 TIP3 506 -22.329 38.071 4.374 1.00 0.00 WAT1 ATOM 3025 H2 TIP3 506 -21.806 39.321 3.629 1.00 0.00 WAT1 ATOM 3026 OH2 TIP3 507 -24.238 47.413 -3.833 1.00 0.00 WAT1 ATOM 3027 H1 TIP3 507 -23.672 46.643 -4.033 1.00 0.00 WAT1 ATOM 3028 H2 TIP3 507 -23.830 47.797 -3.019 1.00 0.00 WAT1 ATOM 3029 OH2 TIP3 508 -24.811 49.305 -5.726 1.00 0.00 WAT1 ATOM 3030 H1 TIP3 508 -25.535 48.882 -6.209 1.00 0.00 WAT1 ATOM 3031 H2 TIP3 508 -24.647 48.701 -4.965 1.00 0.00 WAT1 ATOM 3032 OH2 TIP3 509 -31.115 43.430 -10.002 1.00 0.00 WAT1 ATOM 3033 H1 TIP3 509 -30.954 42.464 -10.067 1.00 0.00 WAT1 ATOM 3034 H2 TIP3 509 -31.787 43.514 -9.289 1.00 0.00 WAT1 ATOM 3035 OH2 TIP3 510 -34.070 45.234 -10.310 1.00 0.00 WAT1 ATOM 3036 H1 TIP3 510 -33.295 45.231 -10.916 1.00 0.00 WAT1 ATOM 3037 H2 TIP3 510 -33.760 44.743 -9.517 1.00 0.00 WAT1 ATOM 3038 OH2 TIP3 511 -24.382 33.711 3.627 1.00 0.00 WAT1 ATOM 3039 H1 TIP3 511 -23.389 33.731 3.667 1.00 0.00 WAT1 ATOM 3040 H2 TIP3 511 -24.651 33.441 4.528 1.00 0.00 WAT1 ATOM 3041 OH2 TIP3 512 -27.905 33.477 -6.407 1.00 0.00 WAT1 ATOM 3042 H1 TIP3 512 -27.815 34.437 -6.260 1.00 0.00 WAT1 ATOM 3043 H2 TIP3 512 -27.964 33.103 -5.503 1.00 0.00 WAT1 ATOM 3044 OH2 TIP3 513 -29.913 46.889 -4.932 1.00 0.00 WAT1 ATOM 3045 H1 TIP3 513 -29.251 46.381 -5.440 1.00 0.00 WAT1 ATOM 3046 H2 TIP3 513 -29.393 47.340 -4.254 1.00 0.00 WAT1 ATOM 3047 OH2 TIP3 514 -30.376 33.883 -2.840 1.00 0.00 WAT1 ATOM 3048 H1 TIP3 514 -30.620 34.696 -3.328 1.00 0.00 WAT1 ATOM 3049 H2 TIP3 514 -30.511 34.112 -1.916 1.00 0.00 WAT1 ATOM 3050 OH2 TIP3 515 -28.657 30.250 -7.476 1.00 0.00 WAT1 ATOM 3051 H1 TIP3 515 -29.425 29.674 -7.250 1.00 0.00 WAT1 ATOM 3052 H2 TIP3 515 -28.294 30.507 -6.612 1.00 0.00 WAT1 ATOM 3053 OH2 TIP3 516 -33.161 47.610 -9.023 1.00 0.00 WAT1 ATOM 3054 H1 TIP3 516 -33.681 46.904 -9.449 1.00 0.00 WAT1 ATOM 3055 H2 TIP3 516 -32.813 47.194 -8.211 1.00 0.00 WAT1 ATOM 3056 OH2 TIP3 517 -20.657 37.677 6.712 1.00 0.00 WAT1 ATOM 3057 H1 TIP3 517 -20.118 38.261 6.145 1.00 0.00 WAT1 ATOM 3058 H2 TIP3 517 -21.202 37.160 6.077 1.00 0.00 WAT1 ATOM 3059 OH2 TIP3 518 -27.241 34.715 -1.681 1.00 0.00 WAT1 ATOM 3060 H1 TIP3 518 -27.790 34.515 -0.888 1.00 0.00 WAT1 ATOM 3061 H2 TIP3 518 -26.325 34.515 -1.390 1.00 0.00 WAT1 ATOM 3062 OH2 TIP3 519 -28.559 45.155 -6.549 1.00 0.00 WAT1 ATOM 3063 H1 TIP3 519 -29.431 44.721 -6.440 1.00 0.00 WAT1 ATOM 3064 H2 TIP3 519 -27.917 44.455 -6.308 1.00 0.00 WAT1 ATOM 3065 OH2 TIP3 520 -35.387 41.258 -12.123 1.00 0.00 WAT1 ATOM 3066 H1 TIP3 520 -34.993 40.619 -11.493 1.00 0.00 WAT1 ATOM 3067 H2 TIP3 520 -35.291 40.830 -12.982 1.00 0.00 WAT1 ATOM 3068 OH2 TIP3 521 -32.953 44.096 -8.081 1.00 0.00 WAT1 ATOM 3069 H1 TIP3 521 -33.100 43.387 -7.415 1.00 0.00 WAT1 ATOM 3070 H2 TIP3 521 -32.618 44.853 -7.554 1.00 0.00 WAT1 ATOM 3071 OH2 TIP3 522 -33.233 37.970 -8.733 1.00 0.00 WAT1 ATOM 3072 H1 TIP3 522 -32.855 37.063 -8.696 1.00 0.00 WAT1 ATOM 3073 H2 TIP3 522 -34.146 37.863 -8.381 1.00 0.00 WAT1 ATOM 3074 OH2 TIP3 523 -32.903 29.325 3.251 1.00 0.00 WAT1 ATOM 3075 H1 TIP3 523 -33.304 28.796 3.982 1.00 0.00 WAT1 ATOM 3076 H2 TIP3 523 -33.345 29.002 2.459 1.00 0.00 WAT1 ATOM 3077 OH2 TIP3 524 -33.744 27.403 5.001 1.00 0.00 WAT1 ATOM 3078 H1 TIP3 524 -33.103 27.230 5.718 1.00 0.00 WAT1 ATOM 3079 H2 TIP3 524 -34.133 26.539 4.818 1.00 0.00 WAT1 ATOM 3080 OH2 TIP3 525 -31.647 46.318 -7.064 1.00 0.00 WAT1 ATOM 3081 H1 TIP3 525 -31.206 46.695 -6.272 1.00 0.00 WAT1 ATOM 3082 H2 TIP3 525 -30.928 46.234 -7.721 1.00 0.00 WAT1 ATOM 3083 OH2 TIP3 526 -23.360 43.375 -0.995 1.00 0.00 WAT1 ATOM 3084 H1 TIP3 526 -23.184 43.651 -0.070 1.00 0.00 WAT1 ATOM 3085 H2 TIP3 526 -22.475 43.354 -1.408 1.00 0.00 WAT1 ATOM 3086 OH2 TIP3 527 -24.842 33.967 -0.516 1.00 0.00 WAT1 ATOM 3087 H1 TIP3 527 -25.227 33.477 0.248 1.00 0.00 WAT1 ATOM 3088 H2 TIP3 527 -24.243 34.608 -0.107 1.00 0.00 WAT1 ATOM 3089 OH2 TIP3 528 -24.703 40.659 4.260 1.00 0.00 WAT1 ATOM 3090 H1 TIP3 528 -23.992 39.997 4.161 1.00 0.00 WAT1 ATOM 3091 H2 TIP3 528 -24.763 41.076 3.378 1.00 0.00 WAT1 ATOM 3092 OH2 TIP3 529 -20.852 40.496 8.355 1.00 0.00 WAT1 ATOM 3093 H1 TIP3 529 -21.640 40.629 7.785 1.00 0.00 WAT1 ATOM 3094 H2 TIP3 529 -21.014 39.643 8.784 1.00 0.00 WAT1 ATOM 3095 OH2 TIP3 530 -23.824 29.837 2.344 1.00 0.00 WAT1 ATOM 3096 H1 TIP3 530 -23.217 30.586 2.173 1.00 0.00 WAT1 ATOM 3097 H2 TIP3 530 -23.425 29.096 1.851 1.00 0.00 WAT1 ATOM 3098 OH2 TIP3 531 -26.143 35.160 6.858 1.00 0.00 WAT1 ATOM 3099 H1 TIP3 531 -27.005 35.118 6.382 1.00 0.00 WAT1 ATOM 3100 H2 TIP3 531 -25.735 34.282 6.687 1.00 0.00 WAT1 ATOM 3101 OH2 TIP3 532 -20.894 26.908 7.029 1.00 0.00 WAT1 ATOM 3102 H1 TIP3 532 -21.731 27.375 7.096 1.00 0.00 WAT1 ATOM 3103 H2 TIP3 532 -20.894 26.555 6.101 1.00 0.00 WAT1 ATOM 3104 OH2 TIP3 533 -22.518 31.722 6.306 1.00 0.00 WAT1 ATOM 3105 H1 TIP3 533 -22.067 31.837 5.429 1.00 0.00 WAT1 ATOM 3106 H2 TIP3 533 -21.809 31.459 6.899 1.00 0.00 WAT1 ATOM 3107 OH2 TIP3 534 -27.440 44.782 -2.388 1.00 0.00 WAT1 ATOM 3108 H1 TIP3 534 -27.780 44.932 -1.498 1.00 0.00 WAT1 ATOM 3109 H2 TIP3 534 -28.035 44.092 -2.761 1.00 0.00 WAT1 ATOM 3110 OH2 TIP3 535 -29.442 33.199 3.282 1.00 0.00 WAT1 ATOM 3111 H1 TIP3 535 -28.926 32.411 3.485 1.00 0.00 WAT1 ATOM 3112 H2 TIP3 535 -30.360 32.859 3.164 1.00 0.00 WAT1 ATOM 3113 OH2 TIP3 536 -22.326 28.262 0.633 1.00 0.00 WAT1 ATOM 3114 H1 TIP3 536 -21.857 27.774 1.356 1.00 0.00 WAT1 ATOM 3115 H2 TIP3 536 -21.690 28.933 0.353 1.00 0.00 WAT1 ATOM 3116 OH2 TIP3 537 -32.158 35.463 -8.530 1.00 0.00 WAT1 ATOM 3117 H1 TIP3 537 -32.471 34.580 -8.311 1.00 0.00 WAT1 ATOM 3118 H2 TIP3 537 -31.471 35.653 -7.839 1.00 0.00 WAT1 ATOM 3119 OH2 TIP3 538 -27.031 47.456 -6.619 1.00 0.00 WAT1 ATOM 3120 H1 TIP3 538 -26.968 47.380 -5.637 1.00 0.00 WAT1 ATOM 3121 H2 TIP3 538 -27.521 46.651 -6.883 1.00 0.00 WAT1 ATOM 3122 OH2 TIP3 539 -22.653 47.964 -1.719 1.00 0.00 WAT1 ATOM 3123 H1 TIP3 539 -22.145 48.787 -1.542 1.00 0.00 WAT1 ATOM 3124 H2 TIP3 539 -22.089 47.264 -1.382 1.00 0.00 WAT1 ATOM 3125 OH2 TIP3 540 -28.306 27.620 11.216 1.00 0.00 WAT1 ATOM 3126 H1 TIP3 540 -28.852 27.977 11.957 1.00 0.00 WAT1 ATOM 3127 H2 TIP3 540 -27.558 28.225 11.163 1.00 0.00 WAT1 ATOM 3128 OH2 TIP3 541 -22.771 25.438 15.680 1.00 0.00 WAT1 ATOM 3129 H1 TIP3 541 -23.348 24.886 15.108 1.00 0.00 WAT1 ATOM 3130 H2 TIP3 541 -23.342 26.193 15.934 1.00 0.00 WAT1 ATOM 3131 OH2 TIP3 542 -29.028 52.361 -28.564 1.00 0.00 WAT1 ATOM 3132 H1 TIP3 542 -29.376 52.451 -29.455 1.00 0.00 WAT1 ATOM 3133 H2 TIP3 542 -29.627 51.708 -28.137 1.00 0.00 WAT1 ATOM 3134 OH2 TIP3 543 -26.450 55.651 -28.397 1.00 0.00 WAT1 ATOM 3135 H1 TIP3 543 -27.192 55.159 -28.766 1.00 0.00 WAT1 ATOM 3136 H2 TIP3 543 -25.952 55.966 -29.189 1.00 0.00 WAT1 ATOM 3137 OH2 TIP3 544 -19.766 47.200 -26.305 1.00 0.00 WAT1 ATOM 3138 H1 TIP3 544 -19.956 47.197 -27.253 1.00 0.00 WAT1 ATOM 3139 H2 TIP3 544 -19.879 46.263 -26.039 1.00 0.00 WAT1 ATOM 3140 OH2 TIP3 545 -25.821 53.774 -26.404 1.00 0.00 WAT1 ATOM 3141 H1 TIP3 545 -25.957 54.447 -27.097 1.00 0.00 WAT1 ATOM 3142 H2 TIP3 545 -25.287 54.232 -25.729 1.00 0.00 WAT1 ATOM 3143 OH2 TIP3 546 -28.468 49.656 -25.747 1.00 0.00 WAT1 ATOM 3144 H1 TIP3 546 -28.085 48.759 -25.637 1.00 0.00 WAT1 ATOM 3145 H2 TIP3 546 -27.760 50.166 -26.200 1.00 0.00 WAT1 ATOM 3146 OH2 TIP3 547 -21.067 53.298 -15.154 1.00 0.00 WAT1 ATOM 3147 H1 TIP3 547 -21.151 52.332 -15.040 1.00 0.00 WAT1 ATOM 3148 H2 TIP3 547 -21.261 53.440 -16.100 1.00 0.00 WAT1 ATOM 3149 OH2 TIP3 548 -29.261 51.700 -17.324 1.00 0.00 WAT1 ATOM 3150 H1 TIP3 548 -28.835 50.815 -17.370 1.00 0.00 WAT1 ATOM 3151 H2 TIP3 548 -28.515 52.330 -17.373 1.00 0.00 WAT1 ATOM 3152 OH2 TIP3 549 -26.338 56.212 -18.397 1.00 0.00 WAT1 ATOM 3153 H1 TIP3 549 -26.006 56.852 -19.034 1.00 0.00 WAT1 ATOM 3154 H2 TIP3 549 -25.700 56.252 -17.659 1.00 0.00 WAT1 ATOM 3155 OH2 TIP3 550 -20.965 53.955 -12.509 1.00 0.00 WAT1 ATOM 3156 H1 TIP3 550 -20.018 54.130 -12.474 1.00 0.00 WAT1 ATOM 3157 H2 TIP3 550 -21.135 53.758 -13.464 1.00 0.00 WAT1 ATOM 3158 OH2 TIP3 551 -34.433 53.884 -19.435 1.00 0.00 WAT1 ATOM 3159 H1 TIP3 551 -34.935 53.664 -18.620 1.00 0.00 WAT1 ATOM 3160 H2 TIP3 551 -34.882 54.660 -19.790 1.00 0.00 WAT1 ATOM 3161 OH2 TIP3 552 -21.864 53.058 -17.841 1.00 0.00 WAT1 ATOM 3162 H1 TIP3 552 -22.462 53.776 -18.130 1.00 0.00 WAT1 ATOM 3163 H2 TIP3 552 -21.985 52.360 -18.518 1.00 0.00 WAT1 ATOM 3164 OH2 TIP3 553 -30.807 48.077 -16.531 1.00 0.00 WAT1 ATOM 3165 H1 TIP3 553 -31.600 48.664 -16.528 1.00 0.00 WAT1 ATOM 3166 H2 TIP3 553 -31.167 47.198 -16.308 1.00 0.00 WAT1 ATOM 3167 OH2 TIP3 554 -25.003 54.816 -13.083 1.00 0.00 WAT1 ATOM 3168 H1 TIP3 554 -25.422 54.829 -12.198 1.00 0.00 WAT1 ATOM 3169 H2 TIP3 554 -25.753 54.688 -13.702 1.00 0.00 WAT1 ATOM 3170 OH2 TIP3 555 -23.876 56.038 -9.069 1.00 0.00 WAT1 ATOM 3171 H1 TIP3 555 -23.377 55.876 -9.908 1.00 0.00 WAT1 ATOM 3172 H2 TIP3 555 -23.718 56.969 -8.879 1.00 0.00 WAT1 ATOM 3173 OH2 TIP3 556 -34.851 51.235 -20.286 1.00 0.00 WAT1 ATOM 3174 H1 TIP3 556 -35.428 51.017 -19.544 1.00 0.00 WAT1 ATOM 3175 H2 TIP3 556 -34.653 52.183 -20.168 1.00 0.00 WAT1 ATOM 3176 OH2 TIP3 557 -27.383 53.029 -12.064 1.00 0.00 WAT1 ATOM 3177 H1 TIP3 557 -26.896 53.629 -11.474 1.00 0.00 WAT1 ATOM 3178 H2 TIP3 557 -27.213 52.133 -11.688 1.00 0.00 WAT1 ATOM 3179 OH2 TIP3 558 -27.710 53.979 -17.700 1.00 0.00 WAT1 ATOM 3180 H1 TIP3 558 -28.574 54.127 -18.113 1.00 0.00 WAT1 ATOM 3181 H2 TIP3 558 -27.153 54.720 -18.041 1.00 0.00 WAT1 ATOM 3182 OH2 TIP3 559 -27.009 54.509 -15.026 1.00 0.00 WAT1 ATOM 3183 H1 TIP3 559 -27.239 54.263 -15.947 1.00 0.00 WAT1 ATOM 3184 H2 TIP3 559 -27.828 54.329 -14.524 1.00 0.00 WAT1 ATOM 3185 OH2 TIP3 560 -30.702 51.036 -19.566 1.00 0.00 WAT1 ATOM 3186 H1 TIP3 560 -31.078 51.926 -19.742 1.00 0.00 WAT1 ATOM 3187 H2 TIP3 560 -30.240 51.143 -18.711 1.00 0.00 WAT1 ATOM 3188 OH2 TIP3 561 -31.696 53.527 -19.058 1.00 0.00 WAT1 ATOM 3189 H1 TIP3 561 -32.621 53.732 -19.295 1.00 0.00 WAT1 ATOM 3190 H2 TIP3 561 -31.707 53.461 -18.086 1.00 0.00 WAT1 ATOM 3191 OH2 TIP3 562 -31.388 53.028 -16.283 1.00 0.00 WAT1 ATOM 3192 H1 TIP3 562 -30.708 52.394 -16.610 1.00 0.00 WAT1 ATOM 3193 H2 TIP3 562 -30.904 53.577 -15.630 1.00 0.00 WAT1 ATOM 3194 OH2 TIP3 563 -30.564 50.519 -27.265 1.00 0.00 WAT1 ATOM 3195 H1 TIP3 563 -31.151 49.769 -27.497 1.00 0.00 WAT1 ATOM 3196 H2 TIP3 563 -29.885 50.117 -26.676 1.00 0.00 WAT1 ATOM 3197 OH2 TIP3 564 -25.910 57.054 -26.085 1.00 0.00 WAT1 ATOM 3198 H1 TIP3 564 -26.450 57.850 -26.099 1.00 0.00 WAT1 ATOM 3199 H2 TIP3 564 -26.119 56.606 -26.933 1.00 0.00 WAT1 ATOM 3200 OH2 TIP3 565 -30.342 52.650 -25.488 1.00 0.00 WAT1 ATOM 3201 H1 TIP3 565 -30.674 51.966 -26.100 1.00 0.00 WAT1 ATOM 3202 H2 TIP3 565 -29.765 53.195 -26.032 1.00 0.00 WAT1 ATOM 3203 OH2 TIP3 566 -29.787 54.395 -14.436 1.00 0.00 WAT1 ATOM 3204 H1 TIP3 566 -30.289 54.078 -13.646 1.00 0.00 WAT1 ATOM 3205 H2 TIP3 566 -29.794 55.354 -14.349 1.00 0.00 WAT1 ATOM 3206 OH2 TIP3 567 -29.255 48.906 -20.510 1.00 0.00 WAT1 ATOM 3207 H1 TIP3 567 -29.695 48.679 -21.355 1.00 0.00 WAT1 ATOM 3208 H2 TIP3 567 -29.720 49.720 -20.213 1.00 0.00 WAT1 ATOM 3209 OH2 TIP3 568 -23.770 52.355 -13.524 1.00 0.00 WAT1 ATOM 3210 H1 TIP3 568 -23.391 52.174 -12.644 1.00 0.00 WAT1 ATOM 3211 H2 TIP3 568 -24.193 53.231 -13.428 1.00 0.00 WAT1 ATOM 3212 OH2 TIP3 569 -23.335 55.279 -18.629 1.00 0.00 WAT1 ATOM 3213 H1 TIP3 569 -23.786 55.457 -17.777 1.00 0.00 WAT1 ATOM 3214 H2 TIP3 569 -22.512 55.827 -18.586 1.00 0.00 WAT1 ATOM 3215 OH2 TIP3 570 -33.857 52.584 -12.948 1.00 0.00 WAT1 ATOM 3216 H1 TIP3 570 -33.854 52.355 -13.907 1.00 0.00 WAT1 ATOM 3217 H2 TIP3 570 -34.772 52.815 -12.763 1.00 0.00 WAT1 ATOM 3218 OH2 TIP3 571 -33.854 52.057 -15.615 1.00 0.00 WAT1 ATOM 3219 H1 TIP3 571 -32.976 52.418 -15.884 1.00 0.00 WAT1 ATOM 3220 H2 TIP3 571 -34.488 52.502 -16.213 1.00 0.00 WAT1 ATOM 3221 OH2 TIP3 572 -25.892 54.673 -10.409 1.00 0.00 WAT1 ATOM 3222 H1 TIP3 572 -25.224 55.185 -9.899 1.00 0.00 WAT1 ATOM 3223 H2 TIP3 572 -26.733 54.832 -9.928 1.00 0.00 WAT1 ATOM 3224 OH2 TIP3 573 -31.328 53.679 -12.351 1.00 0.00 WAT1 ATOM 3225 H1 TIP3 573 -31.022 53.138 -11.587 1.00 0.00 WAT1 ATOM 3226 H2 TIP3 573 -32.262 53.415 -12.472 1.00 0.00 WAT1 ATOM 3227 OH2 TIP3 574 -30.379 51.993 -10.471 1.00 0.00 WAT1 ATOM 3228 H1 TIP3 574 -29.697 51.998 -9.770 1.00 0.00 WAT1 ATOM 3229 H2 TIP3 574 -30.898 51.179 -10.295 1.00 0.00 WAT1 ATOM 3230 OH2 TIP3 575 -24.221 52.396 -9.475 1.00 0.00 WAT1 ATOM 3231 H1 TIP3 575 -24.170 52.834 -8.599 1.00 0.00 WAT1 ATOM 3232 H2 TIP3 575 -24.914 52.890 -9.943 1.00 0.00 WAT1 ATOM 3233 OH2 TIP3 576 -29.258 48.357 -9.776 1.00 0.00 WAT1 ATOM 3234 H1 TIP3 576 -29.467 47.470 -9.404 1.00 0.00 WAT1 ATOM 3235 H2 TIP3 576 -28.723 48.793 -9.080 1.00 0.00 WAT1 ATOM 3236 OH2 TIP3 577 -32.050 50.568 -12.660 1.00 0.00 WAT1 ATOM 3237 H1 TIP3 577 -32.078 50.199 -11.748 1.00 0.00 WAT1 ATOM 3238 H2 TIP3 577 -32.736 51.266 -12.656 1.00 0.00 WAT1 ATOM 3239 OH2 TIP3 578 -25.221 56.525 -30.665 1.00 0.00 WAT1 ATOM 3240 H1 TIP3 578 -24.948 56.130 -31.500 1.00 0.00 WAT1 ATOM 3241 H2 TIP3 578 -24.810 57.396 -30.668 1.00 0.00 WAT1 ATOM 3242 OH2 TIP3 579 -24.443 55.350 -24.518 1.00 0.00 WAT1 ATOM 3243 H1 TIP3 579 -24.907 56.050 -25.037 1.00 0.00 WAT1 ATOM 3244 H2 TIP3 579 -24.669 55.548 -23.597 1.00 0.00 WAT1 ATOM 3245 OH2 TIP3 580 -24.672 55.741 -16.199 1.00 0.00 WAT1 ATOM 3246 H1 TIP3 580 -24.012 55.722 -15.491 1.00 0.00 WAT1 ATOM 3247 H2 TIP3 580 -25.476 55.368 -15.784 1.00 0.00 WAT1 ATOM 3248 OH2 TIP3 581 -22.868 55.646 -11.521 1.00 0.00 WAT1 ATOM 3249 H1 TIP3 581 -22.102 55.115 -11.823 1.00 0.00 WAT1 ATOM 3250 H2 TIP3 581 -23.547 55.496 -12.208 1.00 0.00 WAT1 ATOM 3251 OH2 TIP3 582 -25.049 49.372 -9.528 1.00 0.00 WAT1 ATOM 3252 H1 TIP3 582 -24.512 48.578 -9.374 1.00 0.00 WAT1 ATOM 3253 H2 TIP3 582 -24.410 50.108 -9.481 1.00 0.00 WAT1 ATOM 3254 OH2 TIP3 583 -24.005 55.432 -21.278 1.00 0.00 WAT1 ATOM 3255 H1 TIP3 583 -23.389 56.144 -21.482 1.00 0.00 WAT1 ATOM 3256 H2 TIP3 583 -23.897 55.292 -20.308 1.00 0.00 WAT1 ATOM 3257 OH2 TIP3 584 -22.248 51.823 -11.272 1.00 0.00 WAT1 ATOM 3258 H1 TIP3 584 -22.803 52.066 -10.495 1.00 0.00 WAT1 ATOM 3259 H2 TIP3 584 -21.726 52.633 -11.460 1.00 0.00 WAT1 ATOM 3260 OH2 TIP3 585 -21.344 48.333 -24.382 1.00 0.00 WAT1 ATOM 3261 H1 TIP3 585 -20.830 48.014 -25.153 1.00 0.00 WAT1 ATOM 3262 H2 TIP3 585 -21.374 49.307 -24.503 1.00 0.00 WAT1 ATOM 3263 OH2 TIP3 586 -26.963 50.495 -11.214 1.00 0.00 WAT1 ATOM 3264 H1 TIP3 586 -26.290 50.015 -10.694 1.00 0.00 WAT1 ATOM 3265 H2 TIP3 586 -27.669 49.848 -11.349 1.00 0.00 WAT1 ATOM 3266 OH2 TIP3 587 -28.608 49.125 -17.766 1.00 0.00 WAT1 ATOM 3267 H1 TIP3 587 -29.342 48.640 -17.323 1.00 0.00 WAT1 ATOM 3268 H2 TIP3 587 -28.687 48.866 -18.705 1.00 0.00 WAT1 ATOM 3269 OH2 TIP3 588 -22.374 51.389 -20.013 1.00 0.00 WAT1 ATOM 3270 H1 TIP3 588 -22.820 52.014 -20.622 1.00 0.00 WAT1 ATOM 3271 H2 TIP3 588 -21.615 51.051 -20.536 1.00 0.00 WAT1 ATOM 3272 OH2 TIP3 589 -32.806 49.491 -20.701 1.00 0.00 WAT1 ATOM 3273 H1 TIP3 589 -32.143 49.962 -20.158 1.00 0.00 WAT1 ATOM 3274 H2 TIP3 589 -33.596 50.082 -20.679 1.00 0.00 WAT1 ATOM 3275 OH2 TIP3 590 -28.583 52.129 -8.399 1.00 0.00 WAT1 ATOM 3276 H1 TIP3 590 -28.839 52.159 -7.471 1.00 0.00 WAT1 ATOM 3277 H2 TIP3 590 -28.061 51.298 -8.474 1.00 0.00 WAT1 ATOM 3278 OH2 TIP3 591 -22.629 51.805 -2.958 1.00 0.00 WAT1 ATOM 3279 H1 TIP3 591 -23.262 52.371 -2.511 1.00 0.00 WAT1 ATOM 3280 H2 TIP3 591 -22.924 51.813 -3.897 1.00 0.00 WAT1 ATOM 3281 OH2 TIP3 592 -31.690 49.601 -10.156 1.00 0.00 WAT1 ATOM 3282 H1 TIP3 592 -30.853 49.093 -10.104 1.00 0.00 WAT1 ATOM 3283 H2 TIP3 592 -32.353 49.010 -9.728 1.00 0.00 WAT1 ATOM 3284 OH2 TIP3 593 -28.450 54.711 -9.328 1.00 0.00 WAT1 ATOM 3285 H1 TIP3 593 -28.524 53.778 -9.021 1.00 0.00 WAT1 ATOM 3286 H2 TIP3 593 -29.140 54.791 -10.003 1.00 0.00 WAT1 ATOM 3287 OH2 TIP3 594 -21.976 49.276 -5.469 1.00 0.00 WAT1 ATOM 3288 H1 TIP3 594 -22.936 49.294 -5.631 1.00 0.00 WAT1 ATOM 3289 H2 TIP3 594 -21.746 50.201 -5.316 1.00 0.00 WAT1 ATOM 3290 OH2 TIP3 595 -24.510 54.018 -7.257 1.00 0.00 WAT1 ATOM 3291 H1 TIP3 595 -25.393 54.384 -7.034 1.00 0.00 WAT1 ATOM 3292 H2 TIP3 595 -24.061 54.755 -7.720 1.00 0.00 WAT1 ATOM 3293 OH2 TIP3 596 -26.929 55.378 -7.080 1.00 0.00 WAT1 ATOM 3294 H1 TIP3 596 -27.299 56.096 -6.557 1.00 0.00 WAT1 ATOM 3295 H2 TIP3 596 -27.545 55.286 -7.834 1.00 0.00 WAT1 ATOM 3296 OH2 TIP3 597 -16.183 -17.037 5.604 1.00 0.00 WAT1 ATOM 3297 H1 TIP3 597 -15.196 -17.073 5.574 1.00 0.00 WAT1 ATOM 3298 H2 TIP3 597 -16.445 -17.936 5.902 1.00 0.00 WAT1 ATOM 3299 OH2 TIP3 598 -17.926 -11.545 5.042 1.00 0.00 WAT1 ATOM 3300 H1 TIP3 598 -18.743 -11.666 4.509 1.00 0.00 WAT1 ATOM 3301 H2 TIP3 598 -17.962 -10.599 5.320 1.00 0.00 WAT1 ATOM 3302 OH2 TIP3 599 -16.412 -13.437 6.220 1.00 0.00 WAT1 ATOM 3303 H1 TIP3 599 -16.422 -14.099 5.504 1.00 0.00 WAT1 ATOM 3304 H2 TIP3 599 -16.698 -12.611 5.783 1.00 0.00 WAT1 ATOM 3305 OH2 TIP3 600 -17.541 -9.823 8.334 1.00 0.00 WAT1 ATOM 3306 H1 TIP3 600 -18.086 -9.012 8.261 1.00 0.00 WAT1 ATOM 3307 H2 TIP3 600 -17.282 -9.853 9.271 1.00 0.00 WAT1 ATOM 3308 OH2 TIP3 601 -15.662 -11.402 3.473 1.00 0.00 WAT1 ATOM 3309 H1 TIP3 601 -16.517 -11.612 3.896 1.00 0.00 WAT1 ATOM 3310 H2 TIP3 601 -15.698 -11.852 2.626 1.00 0.00 WAT1 ATOM 3311 OH2 TIP3 602 -16.630 -15.003 3.909 1.00 0.00 WAT1 ATOM 3312 H1 TIP3 602 -15.765 -15.057 3.486 1.00 0.00 WAT1 ATOM 3313 H2 TIP3 602 -16.661 -15.801 4.494 1.00 0.00 WAT1 ATOM 3314 OH2 TIP3 603 -14.976 -13.783 8.485 1.00 0.00 WAT1 ATOM 3315 H1 TIP3 603 -15.293 -13.576 7.574 1.00 0.00 WAT1 ATOM 3316 H2 TIP3 603 -15.752 -13.576 9.054 1.00 0.00 WAT1 ATOM 3317 OH2 TIP3 604 -20.553 -6.770 3.458 1.00 0.00 WAT1 ATOM 3318 H1 TIP3 604 -20.986 -6.950 2.616 1.00 0.00 WAT1 ATOM 3319 H2 TIP3 604 -19.820 -6.187 3.229 1.00 0.00 WAT1 ATOM 3320 OH2 TIP3 605 -10.950 -10.620 8.141 1.00 0.00 WAT1 ATOM 3321 H1 TIP3 605 -11.349 -10.629 7.243 1.00 0.00 WAT1 ATOM 3322 H2 TIP3 605 -11.345 -11.386 8.585 1.00 0.00 WAT1 ATOM 3323 OH2 TIP3 606 -13.482 -16.854 5.574 1.00 0.00 WAT1 ATOM 3324 H1 TIP3 606 -13.262 -16.403 6.425 1.00 0.00 WAT1 ATOM 3325 H2 TIP3 606 -12.626 -17.075 5.198 1.00 0.00 WAT1 ATOM 3326 OH2 TIP3 607 -16.445 -16.285 8.289 1.00 0.00 WAT1 ATOM 3327 H1 TIP3 607 -15.756 -15.613 8.399 1.00 0.00 WAT1 ATOM 3328 H2 TIP3 607 -16.469 -16.448 7.328 1.00 0.00 WAT1 ATOM 3329 OH2 TIP3 608 -5.742 -5.989 10.907 1.00 0.00 WAT1 ATOM 3330 H1 TIP3 608 -5.384 -5.257 10.361 1.00 0.00 WAT1 ATOM 3331 H2 TIP3 608 -5.389 -6.798 10.476 1.00 0.00 WAT1 ATOM 3332 OH2 TIP3 609 -11.377 -14.642 9.988 1.00 0.00 WAT1 ATOM 3333 H1 TIP3 609 -11.664 -15.167 10.764 1.00 0.00 WAT1 ATOM 3334 H2 TIP3 609 -11.888 -13.808 10.057 1.00 0.00 WAT1 ATOM 3335 OH2 TIP3 610 -19.138 -14.358 2.971 1.00 0.00 WAT1 ATOM 3336 H1 TIP3 610 -18.243 -14.562 3.331 1.00 0.00 WAT1 ATOM 3337 H2 TIP3 610 -19.211 -14.919 2.189 1.00 0.00 WAT1 ATOM 3338 OH2 TIP3 611 -14.085 -12.693 12.337 1.00 0.00 WAT1 ATOM 3339 H1 TIP3 611 -14.025 -12.758 11.374 1.00 0.00 WAT1 ATOM 3340 H2 TIP3 611 -13.159 -12.836 12.642 1.00 0.00 WAT1 ATOM 3341 OH2 TIP3 612 -7.886 -11.320 7.181 1.00 0.00 WAT1 ATOM 3342 H1 TIP3 612 -7.261 -10.578 7.315 1.00 0.00 WAT1 ATOM 3343 H2 TIP3 612 -8.747 -10.946 7.408 1.00 0.00 WAT1 ATOM 3344 OH2 TIP3 613 -12.027 -10.357 5.628 1.00 0.00 WAT1 ATOM 3345 H1 TIP3 613 -12.326 -9.433 5.474 1.00 0.00 WAT1 ATOM 3346 H2 TIP3 613 -11.663 -10.632 4.776 1.00 0.00 WAT1 ATOM 3347 OH2 TIP3 614 -6.403 -8.975 7.651 1.00 0.00 WAT1 ATOM 3348 H1 TIP3 614 -6.039 -8.508 6.863 1.00 0.00 WAT1 ATOM 3349 H2 TIP3 614 -7.335 -8.668 7.704 1.00 0.00 WAT1 ATOM 3350 OH2 TIP3 615 -19.356 -18.477 7.214 1.00 0.00 WAT1 ATOM 3351 H1 TIP3 615 -19.882 -19.185 6.774 1.00 0.00 WAT1 ATOM 3352 H2 TIP3 615 -18.425 -18.758 7.082 1.00 0.00 WAT1 ATOM 3353 OH2 TIP3 616 -20.853 -8.104 5.841 1.00 0.00 WAT1 ATOM 3354 H1 TIP3 616 -21.801 -8.209 6.080 1.00 0.00 WAT1 ATOM 3355 H2 TIP3 616 -20.869 -7.544 5.029 1.00 0.00 WAT1 ATOM 3356 OH2 TIP3 617 -12.991 -12.366 9.717 1.00 0.00 WAT1 ATOM 3357 H1 TIP3 617 -13.651 -12.785 9.119 1.00 0.00 WAT1 ATOM 3358 H2 TIP3 617 -13.284 -11.439 9.782 1.00 0.00 WAT1 ATOM 3359 OH2 TIP3 618 -6.525 -13.590 7.600 1.00 0.00 WAT1 ATOM 3360 H1 TIP3 618 -7.031 -12.775 7.366 1.00 0.00 WAT1 ATOM 3361 H2 TIP3 618 -6.997 -14.296 7.154 1.00 0.00 WAT1 ATOM 3362 OH2 TIP3 619 -12.911 -15.532 7.851 1.00 0.00 WAT1 ATOM 3363 H1 TIP3 619 -13.633 -14.920 8.085 1.00 0.00 WAT1 ATOM 3364 H2 TIP3 619 -12.241 -15.385 8.545 1.00 0.00 WAT1 ATOM 3365 OH2 TIP3 620 -8.784 -15.072 10.861 1.00 0.00 WAT1 ATOM 3366 H1 TIP3 620 -8.818 -16.031 10.920 1.00 0.00 WAT1 ATOM 3367 H2 TIP3 620 -9.607 -14.832 10.386 1.00 0.00 WAT1 ATOM 3368 OH2 TIP3 621 -15.273 -20.318 8.691 1.00 0.00 WAT1 ATOM 3369 H1 TIP3 621 -14.889 -21.127 9.039 1.00 0.00 WAT1 ATOM 3370 H2 TIP3 621 -15.124 -19.659 9.400 1.00 0.00 WAT1 ATOM 3371 OH2 TIP3 622 -12.210 -18.573 11.084 1.00 0.00 WAT1 ATOM 3372 H1 TIP3 622 -13.176 -18.761 11.076 1.00 0.00 WAT1 ATOM 3373 H2 TIP3 622 -11.809 -19.389 10.776 1.00 0.00 WAT1 ATOM 3374 OH2 TIP3 623 -16.701 -21.119 11.667 1.00 0.00 WAT1 ATOM 3375 H1 TIP3 623 -17.393 -21.024 11.001 1.00 0.00 WAT1 ATOM 3376 H2 TIP3 623 -17.035 -21.797 12.263 1.00 0.00 WAT1 ATOM 3377 OH2 TIP3 624 -16.832 -19.486 6.633 1.00 0.00 WAT1 ATOM 3378 H1 TIP3 624 -16.262 -19.664 7.420 1.00 0.00 WAT1 ATOM 3379 H2 TIP3 624 -16.753 -20.284 6.102 1.00 0.00 WAT1 ATOM 3380 OH2 TIP3 625 -5.340 -12.334 9.688 1.00 0.00 WAT1 ATOM 3381 H1 TIP3 625 -5.801 -12.830 8.968 1.00 0.00 WAT1 ATOM 3382 H2 TIP3 625 -4.458 -12.176 9.334 1.00 0.00 WAT1 ATOM 3383 OH2 TIP3 626 -19.284 -15.682 7.131 1.00 0.00 WAT1 ATOM 3384 H1 TIP3 626 -19.892 -15.503 6.386 1.00 0.00 WAT1 ATOM 3385 H2 TIP3 626 -19.242 -16.659 7.177 1.00 0.00 WAT1 ATOM 3386 OH2 TIP3 627 -20.806 -20.551 6.120 1.00 0.00 WAT1 ATOM 3387 H1 TIP3 627 -20.587 -21.262 5.513 1.00 0.00 WAT1 ATOM 3388 H2 TIP3 627 -21.780 -20.604 6.208 1.00 0.00 WAT1 ATOM 3389 OH2 TIP3 628 -23.584 -20.591 6.443 1.00 0.00 WAT1 ATOM 3390 H1 TIP3 628 -24.381 -21.121 6.676 1.00 0.00 WAT1 ATOM 3391 H2 TIP3 628 -23.933 -19.870 5.894 1.00 0.00 WAT1 ATOM 3392 OH2 TIP3 629 -14.284 -10.507 7.262 1.00 0.00 WAT1 ATOM 3393 H1 TIP3 629 -14.952 -10.118 6.666 1.00 0.00 WAT1 ATOM 3394 H2 TIP3 629 -13.514 -10.665 6.682 1.00 0.00 WAT1 ATOM 3395 OH2 TIP3 630 -25.082 -4.149 7.114 1.00 0.00 WAT1 ATOM 3396 H1 TIP3 630 -25.581 -4.481 6.360 1.00 0.00 WAT1 ATOM 3397 H2 TIP3 630 -24.628 -4.944 7.472 1.00 0.00 WAT1 ATOM 3398 OH2 TIP3 631 -18.137 -8.857 5.447 1.00 0.00 WAT1 ATOM 3399 H1 TIP3 631 -18.043 -8.527 6.363 1.00 0.00 WAT1 ATOM 3400 H2 TIP3 631 -19.042 -8.600 5.198 1.00 0.00 WAT1 ATOM 3401 OH2 TIP3 632 -10.780 -6.887 6.435 1.00 0.00 WAT1 ATOM 3402 H1 TIP3 632 -11.574 -7.312 6.050 1.00 0.00 WAT1 ATOM 3403 H2 TIP3 632 -10.648 -6.087 5.879 1.00 0.00 WAT1 ATOM 3404 OH2 TIP3 633 -9.123 -8.606 7.798 1.00 0.00 WAT1 ATOM 3405 H1 TIP3 633 -9.798 -9.286 7.997 1.00 0.00 WAT1 ATOM 3406 H2 TIP3 633 -9.599 -7.951 7.244 1.00 0.00 WAT1 ATOM 3407 OH2 TIP3 634 -5.173 -7.678 5.591 1.00 0.00 WAT1 ATOM 3408 H1 TIP3 634 -4.517 -7.002 5.862 1.00 0.00 WAT1 ATOM 3409 H2 TIP3 634 -4.904 -7.926 4.703 1.00 0.00 WAT1 ATOM 3410 OH2 TIP3 635 -15.440 -9.212 5.042 1.00 0.00 WAT1 ATOM 3411 H1 TIP3 635 -15.414 -9.943 4.382 1.00 0.00 WAT1 ATOM 3412 H2 TIP3 635 -16.387 -8.966 5.089 1.00 0.00 WAT1 ATOM 3413 OH2 TIP3 636 -4.709 -8.178 9.637 1.00 0.00 WAT1 ATOM 3414 H1 TIP3 636 -5.222 -8.452 8.840 1.00 0.00 WAT1 ATOM 3415 H2 TIP3 636 -4.946 -8.847 10.309 1.00 0.00 WAT1 ATOM 3416 OH2 TIP3 637 -13.248 -17.979 15.593 1.00 0.00 WAT1 ATOM 3417 H1 TIP3 637 -12.360 -17.571 15.517 1.00 0.00 WAT1 ATOM 3418 H2 TIP3 637 -13.070 -18.888 15.850 1.00 0.00 WAT1 ATOM 3419 OH2 TIP3 638 -11.437 -13.647 20.887 1.00 0.00 WAT1 ATOM 3420 H1 TIP3 638 -11.019 -14.208 21.549 1.00 0.00 WAT1 ATOM 3421 H2 TIP3 638 -10.728 -13.468 20.241 1.00 0.00 WAT1 ATOM 3422 OH2 TIP3 639 -5.831 -11.538 17.952 1.00 0.00 WAT1 ATOM 3423 H1 TIP3 639 -6.542 -12.193 17.788 1.00 0.00 WAT1 ATOM 3424 H2 TIP3 639 -5.152 -12.044 18.450 1.00 0.00 WAT1 ATOM 3425 OH2 TIP3 640 -21.684 -11.000 23.628 1.00 0.00 WAT1 ATOM 3426 H1 TIP3 640 -21.639 -11.874 24.025 1.00 0.00 WAT1 ATOM 3427 H2 TIP3 640 -21.215 -10.433 24.245 1.00 0.00 WAT1 ATOM 3428 OH2 TIP3 641 -14.028 -16.149 13.737 1.00 0.00 WAT1 ATOM 3429 H1 TIP3 641 -13.881 -16.823 14.440 1.00 0.00 WAT1 ATOM 3430 H2 TIP3 641 -14.130 -15.306 14.230 1.00 0.00 WAT1 ATOM 3431 OH2 TIP3 642 -10.908 -10.409 20.173 1.00 0.00 WAT1 ATOM 3432 H1 TIP3 642 -11.852 -10.642 20.223 1.00 0.00 WAT1 ATOM 3433 H2 TIP3 642 -10.474 -11.241 19.900 1.00 0.00 WAT1 ATOM 3434 OH2 TIP3 643 -20.064 -10.679 15.427 1.00 0.00 WAT1 ATOM 3435 H1 TIP3 643 -20.984 -10.901 15.167 1.00 0.00 WAT1 ATOM 3436 H2 TIP3 643 -19.842 -11.336 16.095 1.00 0.00 WAT1 ATOM 3437 OH2 TIP3 644 -7.078 -7.871 20.465 1.00 0.00 WAT1 ATOM 3438 H1 TIP3 644 -7.961 -8.033 20.878 1.00 0.00 WAT1 ATOM 3439 H2 TIP3 644 -7.006 -6.890 20.446 1.00 0.00 WAT1 ATOM 3440 OH2 TIP3 645 -10.954 -16.573 14.990 1.00 0.00 WAT1 ATOM 3441 H1 TIP3 645 -11.069 -16.577 14.021 1.00 0.00 WAT1 ATOM 3442 H2 TIP3 645 -10.915 -15.639 15.220 1.00 0.00 WAT1 ATOM 3443 OH2 TIP3 646 -11.778 -16.203 12.272 1.00 0.00 WAT1 ATOM 3444 H1 TIP3 646 -12.664 -16.104 12.695 1.00 0.00 WAT1 ATOM 3445 H2 TIP3 646 -11.833 -17.077 11.809 1.00 0.00 WAT1 ATOM 3446 OH2 TIP3 647 -7.047 -13.398 14.406 1.00 0.00 WAT1 ATOM 3447 H1 TIP3 647 -6.944 -13.383 13.422 1.00 0.00 WAT1 ATOM 3448 H2 TIP3 647 -6.869 -14.341 14.651 1.00 0.00 WAT1 ATOM 3449 OH2 TIP3 648 -15.981 -14.475 18.279 1.00 0.00 WAT1 ATOM 3450 H1 TIP3 648 -16.148 -14.132 19.162 1.00 0.00 WAT1 ATOM 3451 H2 TIP3 648 -15.175 -13.996 17.985 1.00 0.00 WAT1 ATOM 3452 OH2 TIP3 649 -14.112 -10.195 17.212 1.00 0.00 WAT1 ATOM 3453 H1 TIP3 649 -14.031 -9.841 16.299 1.00 0.00 WAT1 ATOM 3454 H2 TIP3 649 -13.849 -9.440 17.783 1.00 0.00 WAT1 ATOM 3455 OH2 TIP3 650 -13.372 -8.066 18.843 1.00 0.00 WAT1 ATOM 3456 H1 TIP3 650 -13.701 -7.143 18.869 1.00 0.00 WAT1 ATOM 3457 H2 TIP3 650 -13.756 -8.480 19.641 1.00 0.00 WAT1 ATOM 3458 OH2 TIP3 651 -7.052 -13.149 11.697 1.00 0.00 WAT1 ATOM 3459 H1 TIP3 651 -6.416 -12.932 10.981 1.00 0.00 WAT1 ATOM 3460 H2 TIP3 651 -7.613 -13.865 11.311 1.00 0.00 WAT1 ATOM 3461 OH2 TIP3 652 -17.544 -15.998 16.682 1.00 0.00 WAT1 ATOM 3462 H1 TIP3 652 -17.059 -16.832 16.663 1.00 0.00 WAT1 ATOM 3463 H2 TIP3 652 -17.056 -15.452 17.347 1.00 0.00 WAT1 ATOM 3464 OH2 TIP3 653 -6.714 -15.900 15.332 1.00 0.00 WAT1 ATOM 3465 H1 TIP3 653 -6.369 -16.767 15.097 1.00 0.00 WAT1 ATOM 3466 H2 TIP3 653 -7.249 -16.063 16.137 1.00 0.00 WAT1 ATOM 3467 OH2 TIP3 654 -22.514 -10.223 18.225 1.00 0.00 WAT1 ATOM 3468 H1 TIP3 654 -23.140 -9.537 18.539 1.00 0.00 WAT1 ATOM 3469 H2 TIP3 654 -22.828 -11.034 18.635 1.00 0.00 WAT1 ATOM 3470 OH2 TIP3 655 -5.910 -10.081 11.284 1.00 0.00 WAT1 ATOM 3471 H1 TIP3 655 -5.704 -10.521 12.117 1.00 0.00 WAT1 ATOM 3472 H2 TIP3 655 -5.874 -10.804 10.618 1.00 0.00 WAT1 ATOM 3473 OH2 TIP3 656 -19.885 -16.074 15.202 1.00 0.00 WAT1 ATOM 3474 H1 TIP3 656 -19.103 -15.957 15.788 1.00 0.00 WAT1 ATOM 3475 H2 TIP3 656 -20.277 -16.904 15.496 1.00 0.00 WAT1 ATOM 3476 OH2 TIP3 657 -14.897 -19.123 11.152 1.00 0.00 WAT1 ATOM 3477 H1 TIP3 657 -15.517 -19.815 11.474 1.00 0.00 WAT1 ATOM 3478 H2 TIP3 657 -15.326 -18.280 11.412 1.00 0.00 WAT1 ATOM 3479 OH2 TIP3 658 -14.447 -13.689 14.887 1.00 0.00 WAT1 ATOM 3480 H1 TIP3 658 -14.258 -13.243 14.033 1.00 0.00 WAT1 ATOM 3481 H2 TIP3 658 -15.428 -13.687 14.943 1.00 0.00 WAT1 ATOM 3482 OH2 TIP3 659 -5.812 -14.516 20.804 1.00 0.00 WAT1 ATOM 3483 H1 TIP3 659 -5.401 -14.474 21.671 1.00 0.00 WAT1 ATOM 3484 H2 TIP3 659 -5.208 -14.005 20.228 1.00 0.00 WAT1 ATOM 3485 OH2 TIP3 660 -8.180 -15.709 20.187 1.00 0.00 WAT1 ATOM 3486 H1 TIP3 660 -8.165 -16.377 20.879 1.00 0.00 WAT1 ATOM 3487 H2 TIP3 660 -7.370 -15.170 20.356 1.00 0.00 WAT1 ATOM 3488 OH2 TIP3 661 -16.811 -11.079 15.889 1.00 0.00 WAT1 ATOM 3489 H1 TIP3 661 -16.059 -10.935 16.486 1.00 0.00 WAT1 ATOM 3490 H2 TIP3 661 -16.885 -12.048 15.822 1.00 0.00 WAT1 ATOM 3491 OH2 TIP3 662 -13.878 -12.878 17.446 1.00 0.00 WAT1 ATOM 3492 H1 TIP3 662 -13.955 -11.901 17.332 1.00 0.00 WAT1 ATOM 3493 H2 TIP3 662 -13.891 -13.227 16.525 1.00 0.00 WAT1 ATOM 3494 OH2 TIP3 663 -9.953 -12.638 18.745 1.00 0.00 WAT1 ATOM 3495 H1 TIP3 663 -10.647 -12.847 18.105 1.00 0.00 WAT1 ATOM 3496 H2 TIP3 663 -9.125 -12.914 18.298 1.00 0.00 WAT1 ATOM 3497 OH2 TIP3 664 -9.212 -12.132 13.235 1.00 0.00 WAT1 ATOM 3498 H1 TIP3 664 -8.751 -12.204 12.381 1.00 0.00 WAT1 ATOM 3499 H2 TIP3 664 -8.596 -12.540 13.869 1.00 0.00 WAT1 ATOM 3500 OH2 TIP3 665 -5.879 -9.504 22.330 1.00 0.00 WAT1 ATOM 3501 H1 TIP3 665 -6.389 -9.434 23.141 1.00 0.00 WAT1 ATOM 3502 H2 TIP3 665 -6.283 -8.842 21.733 1.00 0.00 WAT1 ATOM 3503 OH2 TIP3 666 -6.322 -10.915 15.194 1.00 0.00 WAT1 ATOM 3504 H1 TIP3 666 -5.788 -11.127 15.982 1.00 0.00 WAT1 ATOM 3505 H2 TIP3 666 -6.498 -11.789 14.781 1.00 0.00 WAT1 ATOM 3506 OH2 TIP3 667 -18.361 -15.283 13.016 1.00 0.00 WAT1 ATOM 3507 H1 TIP3 667 -19.074 -15.604 13.608 1.00 0.00 WAT1 ATOM 3508 H2 TIP3 667 -18.648 -15.557 12.124 1.00 0.00 WAT1 ATOM 3509 OH2 TIP3 668 -7.151 -5.172 20.424 1.00 0.00 WAT1 ATOM 3510 H1 TIP3 668 -6.401 -4.599 20.145 1.00 0.00 WAT1 ATOM 3511 H2 TIP3 668 -7.421 -4.800 21.291 1.00 0.00 WAT1 ATOM 3512 OH2 TIP3 669 -7.771 -8.043 11.935 1.00 0.00 WAT1 ATOM 3513 H1 TIP3 669 -7.244 -7.254 11.709 1.00 0.00 WAT1 ATOM 3514 H2 TIP3 669 -7.199 -8.795 11.669 1.00 0.00 WAT1 ATOM 3515 OH2 TIP3 670 -11.589 -13.466 13.040 1.00 0.00 WAT1 ATOM 3516 H1 TIP3 670 -10.760 -12.947 13.115 1.00 0.00 WAT1 ATOM 3517 H2 TIP3 670 -11.296 -14.343 12.741 1.00 0.00 WAT1 ATOM 3518 OH2 TIP3 671 -17.138 -13.781 15.008 1.00 0.00 WAT1 ATOM 3519 H1 TIP3 671 -17.575 -14.116 14.195 1.00 0.00 WAT1 ATOM 3520 H2 TIP3 671 -17.313 -14.476 15.673 1.00 0.00 WAT1 ATOM 3521 OH2 TIP3 672 -16.106 -16.811 12.194 1.00 0.00 WAT1 ATOM 3522 H1 TIP3 672 -15.260 -16.582 12.641 1.00 0.00 WAT1 ATOM 3523 H2 TIP3 672 -16.766 -16.246 12.638 1.00 0.00 WAT1 ATOM 3524 OH2 TIP3 673 -22.248 -6.659 17.505 1.00 0.00 WAT1 ATOM 3525 H1 TIP3 673 -21.481 -7.261 17.616 1.00 0.00 WAT1 ATOM 3526 H2 TIP3 673 -22.910 -7.001 18.134 1.00 0.00 WAT1 ATOM 3527 OH2 TIP3 674 -5.101 -3.634 19.688 1.00 0.00 WAT1 ATOM 3528 H1 TIP3 674 -4.300 -3.464 20.227 1.00 0.00 WAT1 ATOM 3529 H2 TIP3 674 -5.626 -2.804 19.772 1.00 0.00 WAT1 ATOM 3530 OH2 TIP3 675 -7.782 -13.334 17.156 1.00 0.00 WAT1 ATOM 3531 H1 TIP3 675 -7.567 -13.310 16.202 1.00 0.00 WAT1 ATOM 3532 H2 TIP3 675 -7.898 -14.292 17.348 1.00 0.00 WAT1 ATOM 3533 OH2 TIP3 676 -8.378 -16.012 17.519 1.00 0.00 WAT1 ATOM 3534 H1 TIP3 676 -9.109 -16.622 17.359 1.00 0.00 WAT1 ATOM 3535 H2 TIP3 676 -8.342 -15.930 18.504 1.00 0.00 WAT1 ATOM 3536 OH2 TIP3 677 -3.979 -12.864 19.556 1.00 0.00 WAT1 ATOM 3537 H1 TIP3 677 -3.055 -13.122 19.436 1.00 0.00 WAT1 ATOM 3538 H2 TIP3 677 -3.932 -12.052 20.109 1.00 0.00 WAT1 ATOM 3539 OH2 TIP3 678 -3.865 -10.460 20.824 1.00 0.00 WAT1 ATOM 3540 H1 TIP3 678 -4.515 -10.200 21.523 1.00 0.00 WAT1 ATOM 3541 H2 TIP3 678 -4.044 -9.838 20.095 1.00 0.00 WAT1 ATOM 3542 OH2 TIP3 679 -14.223 -5.437 18.613 1.00 0.00 WAT1 ATOM 3543 H1 TIP3 679 -15.112 -5.354 18.195 1.00 0.00 WAT1 ATOM 3544 H2 TIP3 679 -14.161 -4.658 19.193 1.00 0.00 WAT1 ATOM 3545 OH2 TIP3 680 -9.499 -7.851 21.596 1.00 0.00 WAT1 ATOM 3546 H1 TIP3 680 -10.295 -8.393 21.690 1.00 0.00 WAT1 ATOM 3547 H2 TIP3 680 -9.723 -7.009 22.047 1.00 0.00 WAT1 ATOM 3548 OH2 TIP3 681 -9.822 -5.298 22.769 1.00 0.00 WAT1 ATOM 3549 H1 TIP3 681 -10.233 -5.143 23.627 1.00 0.00 WAT1 ATOM 3550 H2 TIP3 681 -8.937 -4.877 22.847 1.00 0.00 WAT1 ATOM 3551 OH2 TIP3 682 -20.345 -8.633 18.067 1.00 0.00 WAT1 ATOM 3552 H1 TIP3 682 -21.038 -9.321 17.916 1.00 0.00 WAT1 ATOM 3553 H2 TIP3 682 -20.048 -8.794 18.972 1.00 0.00 WAT1 ATOM 3554 OH2 TIP3 683 -16.824 -8.322 19.866 1.00 0.00 WAT1 ATOM 3555 H1 TIP3 683 -16.034 -8.882 19.999 1.00 0.00 WAT1 ATOM 3556 H2 TIP3 683 -16.908 -7.835 20.689 1.00 0.00 WAT1 ATOM 3557 OH2 TIP3 684 -13.368 -11.902 20.048 1.00 0.00 WAT1 ATOM 3558 H1 TIP3 684 -12.827 -12.603 20.477 1.00 0.00 WAT1 ATOM 3559 H2 TIP3 684 -13.559 -12.261 19.158 1.00 0.00 WAT1 ATOM 3560 OH2 TIP3 685 -7.091 11.022 -6.116 1.00 0.00 WAT1 ATOM 3561 H1 TIP3 685 -6.133 11.139 -6.206 1.00 0.00 WAT1 ATOM 3562 H2 TIP3 685 -7.325 11.564 -5.333 1.00 0.00 WAT1 ATOM 3563 OH2 TIP3 686 -9.083 11.590 2.054 1.00 0.00 WAT1 ATOM 3564 H1 TIP3 686 -8.523 11.501 1.256 1.00 0.00 WAT1 ATOM 3565 H2 TIP3 686 -9.018 10.725 2.483 1.00 0.00 WAT1 ATOM 3566 OH2 TIP3 687 -3.118 -5.972 6.249 1.00 0.00 WAT1 ATOM 3567 H1 TIP3 687 -2.225 -5.951 5.888 1.00 0.00 WAT1 ATOM 3568 H2 TIP3 687 -2.984 -6.123 7.215 1.00 0.00 WAT1 ATOM 3569 OH2 TIP3 688 -15.546 -4.867 8.654 1.00 0.00 WAT1 ATOM 3570 H1 TIP3 688 -14.942 -4.211 9.077 1.00 0.00 WAT1 ATOM 3571 H2 TIP3 688 -16.443 -4.514 8.834 1.00 0.00 WAT1 ATOM 3572 OH2 TIP3 689 -14.843 6.906 7.862 1.00 0.00 WAT1 ATOM 3573 H1 TIP3 689 -14.396 7.708 7.526 1.00 0.00 WAT1 ATOM 3574 H2 TIP3 689 -15.530 6.716 7.186 1.00 0.00 WAT1 ATOM 3575 OH2 TIP3 690 -4.374 -3.529 6.680 1.00 0.00 WAT1 ATOM 3576 H1 TIP3 690 -4.492 -3.716 7.631 1.00 0.00 WAT1 ATOM 3577 H2 TIP3 690 -4.027 -4.364 6.315 1.00 0.00 WAT1 ATOM 3578 OH2 TIP3 691 -13.169 -7.836 5.511 1.00 0.00 WAT1 ATOM 3579 H1 TIP3 691 -14.027 -8.267 5.282 1.00 0.00 WAT1 ATOM 3580 H2 TIP3 691 -13.433 -7.018 5.986 1.00 0.00 WAT1 ATOM 3581 OH2 TIP3 692 -10.543 6.995 5.083 1.00 0.00 WAT1 ATOM 3582 H1 TIP3 692 -10.127 6.902 4.224 1.00 0.00 WAT1 ATOM 3583 H2 TIP3 692 -11.430 7.371 4.880 1.00 0.00 WAT1 ATOM 3584 OH2 TIP3 693 -6.583 -0.543 7.159 1.00 0.00 WAT1 ATOM 3585 H1 TIP3 693 -6.541 0.360 7.529 1.00 0.00 WAT1 ATOM 3586 H2 TIP3 693 -5.680 -0.700 6.810 1.00 0.00 WAT1 ATOM 3587 OH2 TIP3 694 -10.766 13.077 3.682 1.00 0.00 WAT1 ATOM 3588 H1 TIP3 694 -10.390 12.555 2.942 1.00 0.00 WAT1 ATOM 3589 H2 TIP3 694 -10.440 13.982 3.524 1.00 0.00 WAT1 ATOM 3590 OH2 TIP3 695 -12.941 7.937 4.165 1.00 0.00 WAT1 ATOM 3591 H1 TIP3 695 -13.726 8.510 4.190 1.00 0.00 WAT1 ATOM 3592 H2 TIP3 695 -13.192 7.207 3.561 1.00 0.00 WAT1 ATOM 3593 OH2 TIP3 696 -12.538 7.323 13.801 1.00 0.00 WAT1 ATOM 3594 H1 TIP3 696 -13.069 8.030 13.365 1.00 0.00 WAT1 ATOM 3595 H2 TIP3 696 -13.210 6.699 14.135 1.00 0.00 WAT1 ATOM 3596 OH2 TIP3 697 -14.523 9.053 9.817 1.00 0.00 WAT1 ATOM 3597 H1 TIP3 697 -14.075 9.255 8.968 1.00 0.00 WAT1 ATOM 3598 H2 TIP3 697 -14.960 8.201 9.652 1.00 0.00 WAT1 ATOM 3599 OH2 TIP3 698 -1.677 12.015 10.011 1.00 0.00 WAT1 ATOM 3600 H1 TIP3 698 -1.939 11.521 9.207 1.00 0.00 WAT1 ATOM 3601 H2 TIP3 698 -1.923 12.943 9.811 1.00 0.00 WAT1 ATOM 3602 OH2 TIP3 699 -13.311 5.717 2.502 1.00 0.00 WAT1 ATOM 3603 H1 TIP3 699 -13.056 4.907 2.960 1.00 0.00 WAT1 ATOM 3604 H2 TIP3 699 -13.401 5.452 1.582 1.00 0.00 WAT1 ATOM 3605 OH2 TIP3 700 -11.291 14.228 -2.457 1.00 0.00 WAT1 ATOM 3606 H1 TIP3 700 -11.311 14.440 -1.497 1.00 0.00 WAT1 ATOM 3607 H2 TIP3 700 -12.211 14.052 -2.676 1.00 0.00 WAT1 ATOM 3608 OH2 TIP3 701 -19.712 9.451 0.286 1.00 0.00 WAT1 ATOM 3609 H1 TIP3 701 -19.037 8.759 0.475 1.00 0.00 WAT1 ATOM 3610 H2 TIP3 701 -19.220 10.127 -0.219 1.00 0.00 WAT1 ATOM 3611 OH2 TIP3 702 -7.548 12.817 -4.084 1.00 0.00 WAT1 ATOM 3612 H1 TIP3 702 -6.795 13.439 -4.171 1.00 0.00 WAT1 ATOM 3613 H2 TIP3 702 -8.338 13.392 -4.144 1.00 0.00 WAT1 ATOM 3614 OH2 TIP3 703 -10.551 13.323 -6.320 1.00 0.00 WAT1 ATOM 3615 H1 TIP3 703 -11.466 13.291 -6.659 1.00 0.00 WAT1 ATOM 3616 H2 TIP3 703 -10.158 12.481 -6.618 1.00 0.00 WAT1 ATOM 3617 OH2 TIP3 704 -7.000 0.273 10.402 1.00 0.00 WAT1 ATOM 3618 H1 TIP3 704 -6.730 0.710 11.238 1.00 0.00 WAT1 ATOM 3619 H2 TIP3 704 -6.889 0.966 9.722 1.00 0.00 WAT1 ATOM 3620 OH2 TIP3 705 -13.474 -5.533 7.028 1.00 0.00 WAT1 ATOM 3621 H1 TIP3 705 -13.198 -4.671 6.683 1.00 0.00 WAT1 ATOM 3622 H2 TIP3 705 -14.330 -5.349 7.477 1.00 0.00 WAT1 ATOM 3623 OH2 TIP3 706 -9.517 -2.359 9.429 1.00 0.00 WAT1 ATOM 3624 H1 TIP3 706 -8.658 -2.548 9.861 1.00 0.00 WAT1 ATOM 3625 H2 TIP3 706 -9.269 -2.130 8.505 1.00 0.00 WAT1 ATOM 3626 OH2 TIP3 707 -9.392 0.994 8.010 1.00 0.00 WAT1 ATOM 3627 H1 TIP3 707 -9.250 0.168 7.512 1.00 0.00 WAT1 ATOM 3628 H2 TIP3 707 -8.525 1.440 7.984 1.00 0.00 WAT1 ATOM 3629 OH2 TIP3 708 -3.943 -0.864 6.501 1.00 0.00 WAT1 ATOM 3630 H1 TIP3 708 -3.162 -0.816 7.090 1.00 0.00 WAT1 ATOM 3631 H2 TIP3 708 -4.082 -1.832 6.368 1.00 0.00 WAT1 ATOM 3632 OH2 TIP3 709 -13.506 -3.969 0.721 1.00 0.00 WAT1 ATOM 3633 H1 TIP3 709 -12.706 -3.797 0.215 1.00 0.00 WAT1 ATOM 3634 H2 TIP3 709 -14.223 -3.741 0.120 1.00 0.00 WAT1 ATOM 3635 OH2 TIP3 710 -10.913 -4.727 4.756 1.00 0.00 WAT1 ATOM 3636 H1 TIP3 710 -10.320 -4.435 4.059 1.00 0.00 WAT1 ATOM 3637 H2 TIP3 710 -11.805 -4.713 4.335 1.00 0.00 WAT1 ATOM 3638 OH2 TIP3 711 -11.052 5.681 9.530 1.00 0.00 WAT1 ATOM 3639 H1 TIP3 711 -10.616 6.360 10.080 1.00 0.00 WAT1 ATOM 3640 H2 TIP3 711 -10.606 5.761 8.664 1.00 0.00 WAT1 ATOM 3641 OH2 TIP3 712 -10.633 0.114 10.239 1.00 0.00 WAT1 ATOM 3642 H1 TIP3 712 -10.359 -0.819 10.170 1.00 0.00 WAT1 ATOM 3643 H2 TIP3 712 -10.259 0.529 9.426 1.00 0.00 WAT1 ATOM 3644 OH2 TIP3 713 -10.383 11.668 6.061 1.00 0.00 WAT1 ATOM 3645 H1 TIP3 713 -10.614 11.960 5.154 1.00 0.00 WAT1 ATOM 3646 H2 TIP3 713 -9.514 11.224 5.956 1.00 0.00 WAT1 ATOM 3647 OH2 TIP3 714 -4.327 4.128 8.569 1.00 0.00 WAT1 ATOM 3648 H1 TIP3 714 -4.337 4.723 7.816 1.00 0.00 WAT1 ATOM 3649 H2 TIP3 714 -3.977 3.284 8.207 1.00 0.00 WAT1 ATOM 3650 OH2 TIP3 715 -17.794 11.233 -0.719 1.00 0.00 WAT1 ATOM 3651 H1 TIP3 715 -18.109 11.873 -0.031 1.00 0.00 WAT1 ATOM 3652 H2 TIP3 715 -16.931 10.949 -0.398 1.00 0.00 WAT1 ATOM 3653 OH2 TIP3 716 -7.108 11.285 10.059 1.00 0.00 WAT1 ATOM 3654 H1 TIP3 716 -7.941 11.577 10.475 1.00 0.00 WAT1 ATOM 3655 H2 TIP3 716 -6.463 11.305 10.788 1.00 0.00 WAT1 ATOM 3656 OH2 TIP3 717 -1.732 11.374 -7.615 1.00 0.00 WAT1 ATOM 3657 H1 TIP3 717 -1.069 11.711 -6.967 1.00 0.00 WAT1 ATOM 3658 H2 TIP3 717 -1.203 10.907 -8.269 1.00 0.00 WAT1 ATOM 3659 OH2 TIP3 718 -15.271 -6.929 10.422 1.00 0.00 WAT1 ATOM 3660 H1 TIP3 718 -15.227 -7.795 9.992 1.00 0.00 WAT1 ATOM 3661 H2 TIP3 718 -15.348 -6.294 9.674 1.00 0.00 WAT1 ATOM 3662 OH2 TIP3 719 -16.687 6.549 5.793 1.00 0.00 WAT1 ATOM 3663 H1 TIP3 719 -17.124 5.705 5.658 1.00 0.00 WAT1 ATOM 3664 H2 TIP3 719 -17.109 7.144 5.145 1.00 0.00 WAT1 ATOM 3665 OH2 TIP3 720 -13.264 -4.715 3.385 1.00 0.00 WAT1 ATOM 3666 H1 TIP3 720 -13.855 -5.472 3.443 1.00 0.00 WAT1 ATOM 3667 H2 TIP3 720 -13.395 -4.376 2.473 1.00 0.00 WAT1 ATOM 3668 OH2 TIP3 721 -9.014 -1.577 6.851 1.00 0.00 WAT1 ATOM 3669 H1 TIP3 721 -8.062 -1.303 6.907 1.00 0.00 WAT1 ATOM 3670 H2 TIP3 721 -9.064 -2.090 6.037 1.00 0.00 WAT1 ATOM 3671 OH2 TIP3 722 -6.817 -2.389 10.057 1.00 0.00 WAT1 ATOM 3672 H1 TIP3 722 -6.111 -2.611 9.427 1.00 0.00 WAT1 ATOM 3673 H2 TIP3 722 -6.859 -1.402 10.035 1.00 0.00 WAT1 ATOM 3674 OH2 TIP3 723 -6.910 9.866 3.139 1.00 0.00 WAT1 ATOM 3675 H1 TIP3 723 -6.829 10.283 2.253 1.00 0.00 WAT1 ATOM 3676 H2 TIP3 723 -6.192 9.226 3.164 1.00 0.00 WAT1 ATOM 3677 OH2 TIP3 724 -16.402 11.375 12.713 1.00 0.00 WAT1 ATOM 3678 H1 TIP3 724 -16.757 10.483 12.923 1.00 0.00 WAT1 ATOM 3679 H2 TIP3 724 -17.166 11.853 12.329 1.00 0.00 WAT1 ATOM 3680 OH2 TIP3 725 -14.748 11.689 10.540 1.00 0.00 WAT1 ATOM 3681 H1 TIP3 725 -15.157 11.624 11.432 1.00 0.00 WAT1 ATOM 3682 H2 TIP3 725 -14.590 10.753 10.283 1.00 0.00 WAT1 ATOM 3683 OH2 TIP3 726 -7.522 9.348 8.099 1.00 0.00 WAT1 ATOM 3684 H1 TIP3 726 -7.624 9.838 7.260 1.00 0.00 WAT1 ATOM 3685 H2 TIP3 726 -7.354 10.049 8.768 1.00 0.00 WAT1 ATOM 3686 OH2 TIP3 727 -12.863 2.540 10.586 1.00 0.00 WAT1 ATOM 3687 H1 TIP3 727 -13.171 3.442 10.360 1.00 0.00 WAT1 ATOM 3688 H2 TIP3 727 -12.509 2.197 9.756 1.00 0.00 WAT1 ATOM 3689 OH2 TIP3 728 -9.356 6.524 7.456 1.00 0.00 WAT1 ATOM 3690 H1 TIP3 728 -9.804 6.599 6.579 1.00 0.00 WAT1 ATOM 3691 H2 TIP3 728 -9.035 7.421 7.634 1.00 0.00 WAT1 ATOM 3692 OH2 TIP3 729 -11.999 -2.274 8.225 1.00 0.00 WAT1 ATOM 3693 H1 TIP3 729 -11.760 -1.691 7.495 1.00 0.00 WAT1 ATOM 3694 H2 TIP3 729 -11.170 -2.365 8.738 1.00 0.00 WAT1 ATOM 3695 OH2 TIP3 730 -13.854 -3.219 9.906 1.00 0.00 WAT1 ATOM 3696 H1 TIP3 730 -13.239 -2.766 9.280 1.00 0.00 WAT1 ATOM 3697 H2 TIP3 730 -14.153 -2.497 10.515 1.00 0.00 WAT1 ATOM 3698 OH2 TIP3 731 -14.274 -9.783 9.840 1.00 0.00 WAT1 ATOM 3699 H1 TIP3 731 -15.147 -10.043 10.195 1.00 0.00 WAT1 ATOM 3700 H2 TIP3 731 -14.329 -10.007 8.875 1.00 0.00 WAT1 ATOM 3701 OH2 TIP3 732 -13.747 5.113 9.742 1.00 0.00 WAT1 ATOM 3702 H1 TIP3 732 -14.182 5.662 9.049 1.00 0.00 WAT1 ATOM 3703 H2 TIP3 732 -12.803 5.395 9.712 1.00 0.00 WAT1 ATOM 3704 OH2 TIP3 733 -7.627 4.619 8.506 1.00 0.00 WAT1 ATOM 3705 H1 TIP3 733 -8.328 5.091 8.012 1.00 0.00 WAT1 ATOM 3706 H2 TIP3 733 -7.106 5.337 8.913 1.00 0.00 WAT1 ATOM 3707 OH2 TIP3 734 -15.796 -4.858 12.170 1.00 0.00 WAT1 ATOM 3708 H1 TIP3 734 -16.020 -4.073 11.642 1.00 0.00 WAT1 ATOM 3709 H2 TIP3 734 -15.797 -5.593 11.521 1.00 0.00 WAT1 ATOM 3710 OH2 TIP3 735 -17.813 -3.864 9.807 1.00 0.00 WAT1 ATOM 3711 H1 TIP3 735 -18.538 -4.443 9.472 1.00 0.00 WAT1 ATOM 3712 H2 TIP3 735 -18.124 -3.591 10.705 1.00 0.00 WAT1 ATOM 3713 OH2 TIP3 736 -13.019 13.006 -7.550 1.00 0.00 WAT1 ATOM 3714 H1 TIP3 736 -12.863 12.046 -7.396 1.00 0.00 WAT1 ATOM 3715 H2 TIP3 736 -13.995 13.103 -7.472 1.00 0.00 WAT1 ATOM 3716 OH2 TIP3 737 -22.493 9.778 -0.058 1.00 0.00 WAT1 ATOM 3717 H1 TIP3 737 -21.530 9.600 -0.046 1.00 0.00 WAT1 ATOM 3718 H2 TIP3 737 -22.780 9.599 0.856 1.00 0.00 WAT1 ATOM 3719 OH2 TIP3 738 -20.360 9.632 2.950 1.00 0.00 WAT1 ATOM 3720 H1 TIP3 738 -20.076 10.528 3.177 1.00 0.00 WAT1 ATOM 3721 H2 TIP3 738 -20.171 9.557 1.987 1.00 0.00 WAT1 ATOM 3722 OH2 TIP3 739 -3.369 14.067 0.503 1.00 0.00 WAT1 ATOM 3723 H1 TIP3 739 -2.766 13.852 -0.227 1.00 0.00 WAT1 ATOM 3724 H2 TIP3 739 -2.800 14.518 1.165 1.00 0.00 WAT1 ATOM 3725 OH2 TIP3 740 -3.530 2.141 11.619 1.00 0.00 WAT1 ATOM 3726 H1 TIP3 740 -2.803 2.561 11.139 1.00 0.00 WAT1 ATOM 3727 H2 TIP3 740 -3.393 2.422 12.546 1.00 0.00 WAT1 ATOM 3728 OH2 TIP3 741 -5.699 3.638 10.841 1.00 0.00 WAT1 ATOM 3729 H1 TIP3 741 -5.099 2.945 11.186 1.00 0.00 WAT1 ATOM 3730 H2 TIP3 741 -5.292 3.898 9.981 1.00 0.00 WAT1 ATOM 3731 OH2 TIP3 742 -6.698 2.033 8.274 1.00 0.00 WAT1 ATOM 3732 H1 TIP3 742 -7.037 2.953 8.400 1.00 0.00 WAT1 ATOM 3733 H2 TIP3 742 -5.733 2.149 8.169 1.00 0.00 WAT1 ATOM 3734 OH2 TIP3 743 -6.131 -3.684 12.312 1.00 0.00 WAT1 ATOM 3735 H1 TIP3 743 -6.127 -4.625 12.036 1.00 0.00 WAT1 ATOM 3736 H2 TIP3 743 -6.362 -3.199 11.486 1.00 0.00 WAT1 ATOM 3737 OH2 TIP3 744 -6.802 11.094 0.570 1.00 0.00 WAT1 ATOM 3738 H1 TIP3 744 -6.741 10.889 -0.392 1.00 0.00 WAT1 ATOM 3739 H2 TIP3 744 -6.428 12.000 0.641 1.00 0.00 WAT1 ATOM 3740 OH2 TIP3 745 -13.718 9.377 7.142 1.00 0.00 WAT1 ATOM 3741 H1 TIP3 745 -12.796 9.450 6.860 1.00 0.00 WAT1 ATOM 3742 H2 TIP3 745 -14.232 9.638 6.347 1.00 0.00 WAT1 ATOM 3743 OH2 TIP3 746 -13.004 13.425 9.311 1.00 0.00 WAT1 ATOM 3744 H1 TIP3 746 -13.527 12.767 9.819 1.00 0.00 WAT1 ATOM 3745 H2 TIP3 746 -13.683 13.962 8.849 1.00 0.00 WAT1 ATOM 3746 OH2 TIP3 747 -8.150 14.801 6.301 1.00 0.00 WAT1 ATOM 3747 H1 TIP3 747 -7.488 14.092 6.159 1.00 0.00 WAT1 ATOM 3748 H2 TIP3 747 -7.607 15.619 6.373 1.00 0.00 WAT1 ATOM 3749 OH2 TIP3 748 -4.277 -4.144 9.396 1.00 0.00 WAT1 ATOM 3750 H1 TIP3 748 -3.718 -4.931 9.207 1.00 0.00 WAT1 ATOM 3751 H2 TIP3 748 -3.642 -3.487 9.766 1.00 0.00 WAT1 ATOM 3752 OH2 TIP3 749 -17.559 10.885 4.869 1.00 0.00 WAT1 ATOM 3753 H1 TIP3 749 -18.011 11.590 4.368 1.00 0.00 WAT1 ATOM 3754 H2 TIP3 749 -17.721 11.124 5.812 1.00 0.00 WAT1 ATOM 3755 OH2 TIP3 750 -9.148 15.395 3.572 1.00 0.00 WAT1 ATOM 3756 H1 TIP3 750 -8.870 15.681 4.456 1.00 0.00 WAT1 ATOM 3757 H2 TIP3 750 -8.466 14.739 3.311 1.00 0.00 WAT1 ATOM 3758 OH2 TIP3 751 -7.767 10.818 5.652 1.00 0.00 WAT1 ATOM 3759 H1 TIP3 751 -7.146 11.577 5.700 1.00 0.00 WAT1 ATOM 3760 H2 TIP3 751 -7.556 10.391 4.794 1.00 0.00 WAT1 ATOM 3761 OH2 TIP3 752 -18.107 8.277 3.977 1.00 0.00 WAT1 ATOM 3762 H1 TIP3 752 -17.772 9.119 4.351 1.00 0.00 WAT1 ATOM 3763 H2 TIP3 752 -19.048 8.463 3.784 1.00 0.00 WAT1 ATOM 3764 OH2 TIP3 753 -17.677 7.873 1.255 1.00 0.00 WAT1 ATOM 3765 H1 TIP3 753 -17.797 7.979 2.221 1.00 0.00 WAT1 ATOM 3766 H2 TIP3 753 -17.056 7.145 1.174 1.00 0.00 WAT1 ATOM 3767 OH2 TIP3 754 -14.878 10.127 4.715 1.00 0.00 WAT1 ATOM 3768 H1 TIP3 754 -15.836 10.323 4.787 1.00 0.00 WAT1 ATOM 3769 H2 TIP3 754 -14.530 10.846 4.175 1.00 0.00 WAT1 ATOM 3770 OH2 TIP3 755 -12.266 10.424 -6.954 1.00 0.00 WAT1 ATOM 3771 H1 TIP3 755 -12.394 9.655 -6.394 1.00 0.00 WAT1 ATOM 3772 H2 TIP3 755 -11.294 10.483 -7.066 1.00 0.00 WAT1 ATOM 3773 OH2 TIP3 756 -6.408 11.136 -2.191 1.00 0.00 WAT1 ATOM 3774 H1 TIP3 756 -7.007 11.644 -2.775 1.00 0.00 WAT1 ATOM 3775 H2 TIP3 756 -5.528 11.317 -2.543 1.00 0.00 WAT1 ATOM 3776 OH2 TIP3 757 -18.956 -7.564 7.805 1.00 0.00 WAT1 ATOM 3777 H1 TIP3 757 -19.114 -6.703 8.246 1.00 0.00 WAT1 ATOM 3778 H2 TIP3 757 -19.731 -7.675 7.217 1.00 0.00 WAT1 ATOM 3779 OH2 TIP3 758 -0.262 9.094 8.060 1.00 0.00 WAT1 ATOM 3780 H1 TIP3 758 -1.021 9.665 7.818 1.00 0.00 WAT1 ATOM 3781 H2 TIP3 758 0.259 9.038 7.256 1.00 0.00 WAT1 ATOM 3782 OH2 TIP3 759 -9.525 5.223 20.462 1.00 0.00 WAT1 ATOM 3783 H1 TIP3 759 -10.392 5.084 20.863 1.00 0.00 WAT1 ATOM 3784 H2 TIP3 759 -9.155 4.319 20.371 1.00 0.00 WAT1 ATOM 3785 OH2 TIP3 760 -16.595 4.168 18.617 1.00 0.00 WAT1 ATOM 3786 H1 TIP3 760 -16.324 3.380 19.149 1.00 0.00 WAT1 ATOM 3787 H2 TIP3 760 -15.820 4.343 18.040 1.00 0.00 WAT1 ATOM 3788 OH2 TIP3 761 -20.564 1.264 13.675 1.00 0.00 WAT1 ATOM 3789 H1 TIP3 761 -20.959 1.071 14.532 1.00 0.00 WAT1 ATOM 3790 H2 TIP3 761 -21.258 1.007 13.028 1.00 0.00 WAT1 ATOM 3791 OH2 TIP3 762 -18.502 0.278 19.225 1.00 0.00 WAT1 ATOM 3792 H1 TIP3 762 -18.838 -0.296 18.502 1.00 0.00 WAT1 ATOM 3793 H2 TIP3 762 -18.481 -0.305 19.995 1.00 0.00 WAT1 ATOM 3794 OH2 TIP3 763 -6.974 0.137 22.964 1.00 0.00 WAT1 ATOM 3795 H1 TIP3 763 -7.185 0.474 23.871 1.00 0.00 WAT1 ATOM 3796 H2 TIP3 763 -6.034 -0.138 23.021 1.00 0.00 WAT1 ATOM 3797 OH2 TIP3 764 -8.934 -0.074 21.075 1.00 0.00 WAT1 ATOM 3798 H1 TIP3 764 -9.256 -1.002 21.147 1.00 0.00 WAT1 ATOM 3799 H2 TIP3 764 -8.325 0.028 21.844 1.00 0.00 WAT1 ATOM 3800 OH2 TIP3 765 -11.691 -2.241 19.243 1.00 0.00 WAT1 ATOM 3801 H1 TIP3 765 -12.613 -2.538 19.414 1.00 0.00 WAT1 ATOM 3802 H2 TIP3 765 -11.700 -1.298 19.474 1.00 0.00 WAT1 ATOM 3803 OH2 TIP3 766 -15.822 1.861 16.232 1.00 0.00 WAT1 ATOM 3804 H1 TIP3 766 -16.726 2.196 16.403 1.00 0.00 WAT1 ATOM 3805 H2 TIP3 766 -15.241 2.614 16.474 1.00 0.00 WAT1 ATOM 3806 OH2 TIP3 767 -13.852 0.720 23.321 1.00 0.00 WAT1 ATOM 3807 H1 TIP3 767 -13.938 0.507 24.254 1.00 0.00 WAT1 ATOM 3808 H2 TIP3 767 -13.125 1.378 23.291 1.00 0.00 WAT1 ATOM 3809 OH2 TIP3 768 -7.740 -2.146 17.444 1.00 0.00 WAT1 ATOM 3810 H1 TIP3 768 -7.890 -3.114 17.462 1.00 0.00 WAT1 ATOM 3811 H2 TIP3 768 -8.401 -1.812 16.809 1.00 0.00 WAT1 ATOM 3812 OH2 TIP3 769 -12.590 5.049 22.364 1.00 0.00 WAT1 ATOM 3813 H1 TIP3 769 -13.555 5.167 22.250 1.00 0.00 WAT1 ATOM 3814 H2 TIP3 769 -12.302 5.879 22.781 1.00 0.00 WAT1 ATOM 3815 OH2 TIP3 770 -14.687 5.749 14.436 1.00 0.00 WAT1 ATOM 3816 H1 TIP3 770 -14.701 5.279 13.572 1.00 0.00 WAT1 ATOM 3817 H2 TIP3 770 -15.528 6.238 14.447 1.00 0.00 WAT1 ATOM 3818 OH2 TIP3 771 -7.528 -3.829 22.795 1.00 0.00 WAT1 ATOM 3819 H1 TIP3 771 -7.822 -2.935 22.557 1.00 0.00 WAT1 ATOM 3820 H2 TIP3 771 -6.599 -3.702 23.104 1.00 0.00 WAT1 ATOM 3821 OH2 TIP3 772 -17.920 -7.407 17.515 1.00 0.00 WAT1 ATOM 3822 H1 TIP3 772 -17.426 -7.773 18.283 1.00 0.00 WAT1 ATOM 3823 H2 TIP3 772 -18.792 -7.844 17.565 1.00 0.00 WAT1 ATOM 3824 OH2 TIP3 773 -3.119 2.645 25.390 1.00 0.00 WAT1 ATOM 3825 H1 TIP3 773 -4.003 2.884 25.042 1.00 0.00 WAT1 ATOM 3826 H2 TIP3 773 -2.531 2.746 24.629 1.00 0.00 WAT1 ATOM 3827 OH2 TIP3 774 -5.440 3.808 24.445 1.00 0.00 WAT1 ATOM 3828 H1 TIP3 774 -5.947 3.680 25.278 1.00 0.00 WAT1 ATOM 3829 H2 TIP3 774 -6.032 3.454 23.746 1.00 0.00 WAT1 ATOM 3830 OH2 TIP3 775 -14.580 4.297 16.742 1.00 0.00 WAT1 ATOM 3831 H1 TIP3 775 -14.548 4.827 15.911 1.00 0.00 WAT1 ATOM 3832 H2 TIP3 775 -13.635 4.204 17.005 1.00 0.00 WAT1 ATOM 3833 OH2 TIP3 776 -12.046 3.843 17.660 1.00 0.00 WAT1 ATOM 3834 H1 TIP3 776 -12.075 3.147 18.330 1.00 0.00 WAT1 ATOM 3835 H2 TIP3 776 -11.138 4.170 17.698 1.00 0.00 WAT1 ATOM 3836 OH2 TIP3 777 -15.120 6.200 22.569 1.00 0.00 WAT1 ATOM 3837 H1 TIP3 777 -15.285 6.739 23.369 1.00 0.00 WAT1 ATOM 3838 H2 TIP3 777 -15.861 5.546 22.561 1.00 0.00 WAT1 ATOM 3839 OH2 TIP3 778 -14.987 8.336 24.329 1.00 0.00 WAT1 ATOM 3840 H1 TIP3 778 -15.433 9.133 23.969 1.00 0.00 WAT1 ATOM 3841 H2 TIP3 778 -14.705 8.604 25.224 1.00 0.00 WAT1 ATOM 3842 OH2 TIP3 779 -18.580 -0.587 13.070 1.00 0.00 WAT1 ATOM 3843 H1 TIP3 779 -17.994 -0.289 12.335 1.00 0.00 WAT1 ATOM 3844 H2 TIP3 779 -19.208 0.154 13.190 1.00 0.00 WAT1 ATOM 3845 OH2 TIP3 780 -6.386 5.858 12.149 1.00 0.00 WAT1 ATOM 3846 H1 TIP3 780 -6.369 6.569 11.483 1.00 0.00 WAT1 ATOM 3847 H2 TIP3 780 -6.005 5.082 11.678 1.00 0.00 WAT1 ATOM 3848 OH2 TIP3 781 -19.645 3.999 23.312 1.00 0.00 WAT1 ATOM 3849 H1 TIP3 781 -20.190 4.085 22.501 1.00 0.00 WAT1 ATOM 3850 H2 TIP3 781 -20.274 3.755 23.996 1.00 0.00 WAT1 ATOM 3851 OH2 TIP3 782 -19.981 6.706 20.570 1.00 0.00 WAT1 ATOM 3852 H1 TIP3 782 -19.517 6.783 21.412 1.00 0.00 WAT1 ATOM 3853 H2 TIP3 782 -20.534 5.906 20.674 1.00 0.00 WAT1 ATOM 3854 OH2 TIP3 783 -12.367 7.499 23.803 1.00 0.00 WAT1 ATOM 3855 H1 TIP3 783 -12.376 7.025 24.659 1.00 0.00 WAT1 ATOM 3856 H2 TIP3 783 -13.294 7.800 23.690 1.00 0.00 WAT1 ATOM 3857 OH2 TIP3 784 -17.049 4.295 22.556 1.00 0.00 WAT1 ATOM 3858 H1 TIP3 784 -17.954 4.270 22.938 1.00 0.00 WAT1 ATOM 3859 H2 TIP3 784 -16.882 3.386 22.286 1.00 0.00 WAT1 ATOM 3860 OH2 TIP3 785 -14.533 -9.589 20.877 1.00 0.00 WAT1 ATOM 3861 H1 TIP3 785 -14.498 -9.721 21.830 1.00 0.00 WAT1 ATOM 3862 H2 TIP3 785 -14.208 -10.445 20.505 1.00 0.00 WAT1 ATOM 3863 OH2 TIP3 786 -14.217 -0.049 20.732 1.00 0.00 WAT1 ATOM 3864 H1 TIP3 786 -14.325 0.115 21.697 1.00 0.00 WAT1 ATOM 3865 H2 TIP3 786 -13.323 0.306 20.533 1.00 0.00 WAT1 ATOM 3866 OH2 TIP3 787 -16.186 1.760 19.807 1.00 0.00 WAT1 ATOM 3867 H1 TIP3 787 -16.923 1.161 19.581 1.00 0.00 WAT1 ATOM 3868 H2 TIP3 787 -15.468 1.159 20.092 1.00 0.00 WAT1 ATOM 3869 OH2 TIP3 788 -12.982 -5.068 11.674 1.00 0.00 WAT1 ATOM 3870 H1 TIP3 788 -13.869 -5.375 11.920 1.00 0.00 WAT1 ATOM 3871 H2 TIP3 788 -13.147 -4.414 10.958 1.00 0.00 WAT1 ATOM 3872 OH2 TIP3 789 -17.826 -1.876 15.330 1.00 0.00 WAT1 ATOM 3873 H1 TIP3 789 -18.544 -1.816 15.994 1.00 0.00 WAT1 ATOM 3874 H2 TIP3 789 -18.179 -1.392 14.548 1.00 0.00 WAT1 ATOM 3875 OH2 TIP3 790 -22.608 0.325 12.082 1.00 0.00 WAT1 ATOM 3876 H1 TIP3 790 -22.529 -0.502 11.549 1.00 0.00 WAT1 ATOM 3877 H2 TIP3 790 -22.938 0.978 11.454 1.00 0.00 WAT1 ATOM 3878 OH2 TIP3 791 -6.287 2.675 22.061 1.00 0.00 WAT1 ATOM 3879 H1 TIP3 791 -6.484 1.748 22.304 1.00 0.00 WAT1 ATOM 3880 H2 TIP3 791 -5.331 2.668 21.845 1.00 0.00 WAT1 ATOM 3881 OH2 TIP3 792 -19.351 -1.891 17.689 1.00 0.00 WAT1 ATOM 3882 H1 TIP3 792 -20.044 -2.587 17.719 1.00 0.00 WAT1 ATOM 3883 H2 TIP3 792 -18.568 -2.313 18.103 1.00 0.00 WAT1 ATOM 3884 OH2 TIP3 793 -16.792 -4.400 14.713 1.00 0.00 WAT1 ATOM 3885 H1 TIP3 793 -16.465 -4.471 13.792 1.00 0.00 WAT1 ATOM 3886 H2 TIP3 793 -17.233 -3.526 14.747 1.00 0.00 WAT1 ATOM 3887 OH2 TIP3 794 -10.618 -3.801 17.148 1.00 0.00 WAT1 ATOM 3888 H1 TIP3 794 -11.001 -3.248 17.864 1.00 0.00 WAT1 ATOM 3889 H2 TIP3 794 -11.307 -4.491 16.983 1.00 0.00 WAT1 ATOM 3890 OH2 TIP3 795 -14.772 -1.479 11.675 1.00 0.00 WAT1 ATOM 3891 H1 TIP3 795 -15.632 -1.028 11.564 1.00 0.00 WAT1 ATOM 3892 H2 TIP3 795 -14.156 -0.757 11.934 1.00 0.00 WAT1 ATOM 3893 OH2 TIP3 796 -15.628 -0.903 16.572 1.00 0.00 WAT1 ATOM 3894 H1 TIP3 796 -16.379 -1.215 16.014 1.00 0.00 WAT1 ATOM 3895 H2 TIP3 796 -15.723 0.075 16.575 1.00 0.00 WAT1 ATOM 3896 OH2 TIP3 797 -16.793 -2.600 18.488 1.00 0.00 WAT1 ATOM 3897 H1 TIP3 797 -16.744 -3.495 18.080 1.00 0.00 WAT1 ATOM 3898 H2 TIP3 797 -16.343 -2.016 17.843 1.00 0.00 WAT1 ATOM 3899 OH2 TIP3 798 -8.469 2.647 20.349 1.00 0.00 WAT1 ATOM 3900 H1 TIP3 798 -8.725 1.725 20.554 1.00 0.00 WAT1 ATOM 3901 H2 TIP3 798 -7.708 2.822 20.947 1.00 0.00 WAT1 ATOM 3902 OH2 TIP3 799 -13.516 0.700 12.506 1.00 0.00 WAT1 ATOM 3903 H1 TIP3 799 -14.357 1.082 12.845 1.00 0.00 WAT1 ATOM 3904 H2 TIP3 799 -13.263 1.301 11.769 1.00 0.00 WAT1 ATOM 3905 OH2 TIP3 800 -11.704 2.504 23.147 1.00 0.00 WAT1 ATOM 3906 H1 TIP3 800 -11.087 2.679 23.883 1.00 0.00 WAT1 ATOM 3907 H2 TIP3 800 -12.013 3.398 22.874 1.00 0.00 WAT1 ATOM 3908 OH2 TIP3 801 -16.539 7.161 18.841 1.00 0.00 WAT1 ATOM 3909 H1 TIP3 801 -16.668 6.203 18.975 1.00 0.00 WAT1 ATOM 3910 H2 TIP3 801 -17.443 7.516 18.768 1.00 0.00 WAT1 ATOM 3911 OH2 TIP3 802 -2.226 6.380 28.572 1.00 0.00 WAT1 ATOM 3912 H1 TIP3 802 -2.779 5.710 28.107 1.00 0.00 WAT1 ATOM 3913 H2 TIP3 802 -1.481 6.527 27.975 1.00 0.00 WAT1 ATOM 3914 OH2 TIP3 803 -7.984 7.407 21.040 1.00 0.00 WAT1 ATOM 3915 H1 TIP3 803 -8.412 7.546 21.910 1.00 0.00 WAT1 ATOM 3916 H2 TIP3 803 -8.455 6.626 20.669 1.00 0.00 WAT1 ATOM 3917 OH2 TIP3 804 -12.216 9.724 20.453 1.00 0.00 WAT1 ATOM 3918 H1 TIP3 804 -11.960 10.561 20.891 1.00 0.00 WAT1 ATOM 3919 H2 TIP3 804 -12.912 9.357 21.032 1.00 0.00 WAT1 ATOM 3920 OH2 TIP3 805 -1.985 11.784 12.764 1.00 0.00 WAT1 ATOM 3921 H1 TIP3 805 -1.277 11.331 13.264 1.00 0.00 WAT1 ATOM 3922 H2 TIP3 805 -1.745 11.642 11.823 1.00 0.00 WAT1 ATOM 3923 OH2 TIP3 806 -17.013 10.376 19.438 1.00 0.00 WAT1 ATOM 3924 H1 TIP3 806 -17.600 9.629 19.224 1.00 0.00 WAT1 ATOM 3925 H2 TIP3 806 -17.545 10.927 20.050 1.00 0.00 WAT1 ATOM 3926 OH2 TIP3 807 -14.323 8.988 12.639 1.00 0.00 WAT1 ATOM 3927 H1 TIP3 807 -14.356 9.029 11.663 1.00 0.00 WAT1 ATOM 3928 H2 TIP3 807 -15.258 9.012 12.912 1.00 0.00 WAT1 ATOM 3929 OH2 TIP3 808 -14.895 11.233 17.976 1.00 0.00 WAT1 ATOM 3930 H1 TIP3 808 -15.734 11.075 18.470 1.00 0.00 WAT1 ATOM 3931 H2 TIP3 808 -15.190 11.457 17.066 1.00 0.00 WAT1 ATOM 3932 OH2 TIP3 809 -18.319 2.962 13.882 1.00 0.00 WAT1 ATOM 3933 H1 TIP3 809 -18.308 3.087 14.855 1.00 0.00 WAT1 ATOM 3934 H2 TIP3 809 -19.145 2.468 13.715 1.00 0.00 WAT1 ATOM 3935 OH2 TIP3 810 -9.748 -2.693 21.226 1.00 0.00 WAT1 ATOM 3936 H1 TIP3 810 -9.916 -3.560 21.632 1.00 0.00 WAT1 ATOM 3937 H2 TIP3 810 -10.441 -2.613 20.540 1.00 0.00 WAT1 ATOM 3938 OH2 TIP3 811 -17.300 6.071 13.353 1.00 0.00 WAT1 ATOM 3939 H1 TIP3 811 -17.905 5.363 13.615 1.00 0.00 WAT1 ATOM 3940 H2 TIP3 811 -16.686 5.638 12.720 1.00 0.00 WAT1 ATOM 3941 OH2 TIP3 812 -18.748 -3.219 12.245 1.00 0.00 WAT1 ATOM 3942 H1 TIP3 812 -18.692 -2.275 12.502 1.00 0.00 WAT1 ATOM 3943 H2 TIP3 812 -19.491 -3.567 12.781 1.00 0.00 WAT1 ATOM 3944 OH2 TIP3 813 -14.351 -2.670 19.829 1.00 0.00 WAT1 ATOM 3945 H1 TIP3 813 -14.312 -1.801 20.285 1.00 0.00 WAT1 ATOM 3946 H2 TIP3 813 -15.271 -2.722 19.500 1.00 0.00 WAT1 ATOM 3947 OH2 TIP3 814 -18.141 9.278 16.076 1.00 0.00 WAT1 ATOM 3948 H1 TIP3 814 -18.196 10.244 16.233 1.00 0.00 WAT1 ATOM 3949 H2 TIP3 814 -18.449 8.886 16.910 1.00 0.00 WAT1 ATOM 3950 OH2 TIP3 815 -9.891 7.586 13.391 1.00 0.00 WAT1 ATOM 3951 H1 TIP3 815 -9.765 8.516 13.652 1.00 0.00 WAT1 ATOM 3952 H2 TIP3 815 -10.845 7.413 13.575 1.00 0.00 WAT1 ATOM 3953 OH2 TIP3 816 -9.454 7.724 23.414 1.00 0.00 WAT1 ATOM 3954 H1 TIP3 816 -9.648 8.667 23.583 1.00 0.00 WAT1 ATOM 3955 H2 TIP3 816 -10.332 7.321 23.306 1.00 0.00 WAT1 ATOM 3956 OH2 TIP3 817 -6.920 7.100 9.639 1.00 0.00 WAT1 ATOM 3957 H1 TIP3 817 -7.828 7.178 9.998 1.00 0.00 WAT1 ATOM 3958 H2 TIP3 817 -6.842 7.861 9.028 1.00 0.00 WAT1 ATOM 3959 OH2 TIP3 818 -15.311 4.678 12.006 1.00 0.00 WAT1 ATOM 3960 H1 TIP3 818 -15.256 3.714 12.099 1.00 0.00 WAT1 ATOM 3961 H2 TIP3 818 -14.827 4.868 11.170 1.00 0.00 WAT1 ATOM 3962 OH2 TIP3 819 -12.426 6.622 26.467 1.00 0.00 WAT1 ATOM 3963 H1 TIP3 819 -12.932 7.442 26.656 1.00 0.00 WAT1 ATOM 3964 H2 TIP3 819 -11.487 6.918 26.442 1.00 0.00 WAT1 ATOM 3965 OH2 TIP3 820 -15.727 2.067 13.441 1.00 0.00 WAT1 ATOM 3966 H1 TIP3 820 -15.652 1.908 14.403 1.00 0.00 WAT1 ATOM 3967 H2 TIP3 820 -16.632 2.433 13.334 1.00 0.00 WAT1 ATOM 3968 OH2 TIP3 821 -17.047 -0.050 10.882 1.00 0.00 WAT1 ATOM 3969 H1 TIP3 821 -16.727 0.777 10.505 1.00 0.00 WAT1 ATOM 3970 H2 TIP3 821 -17.387 -0.552 10.102 1.00 0.00 WAT1 ATOM 3971 OH2 TIP3 822 -10.091 2.965 25.649 1.00 0.00 WAT1 ATOM 3972 H1 TIP3 822 -9.450 3.623 25.975 1.00 0.00 WAT1 ATOM 3973 H2 TIP3 822 -10.839 3.045 26.267 1.00 0.00 WAT1 ATOM 3974 OH2 TIP3 823 -11.620 0.877 20.744 1.00 0.00 WAT1 ATOM 3975 H1 TIP3 823 -10.688 0.591 20.758 1.00 0.00 WAT1 ATOM 3976 H2 TIP3 823 -11.696 1.473 21.516 1.00 0.00 WAT1 ATOM 3977 OH2 TIP3 824 -6.531 3.323 26.923 1.00 0.00 WAT1 ATOM 3978 H1 TIP3 824 -7.316 3.904 27.039 1.00 0.00 WAT1 ATOM 3979 H2 TIP3 824 -6.292 3.065 27.841 1.00 0.00 WAT1 ATOM 3980 OH2 TIP3 825 -21.702 12.853 17.556 1.00 0.00 WAT1 ATOM 3981 H1 TIP3 825 -22.434 13.503 17.588 1.00 0.00 WAT1 ATOM 3982 H2 TIP3 825 -21.665 12.589 16.610 1.00 0.00 WAT1 ATOM 3983 OH2 TIP3 826 -19.041 8.535 18.767 1.00 0.00 WAT1 ATOM 3984 H1 TIP3 826 -19.444 7.818 19.316 1.00 0.00 WAT1 ATOM 3985 H2 TIP3 826 -19.675 9.278 18.850 1.00 0.00 WAT1 ATOM 3986 OH2 TIP3 827 -6.239 7.986 26.354 1.00 0.00 WAT1 ATOM 3987 H1 TIP3 827 -6.997 8.049 26.969 1.00 0.00 WAT1 ATOM 3988 H2 TIP3 827 -5.455 7.999 26.945 1.00 0.00 WAT1 ATOM 3989 OH2 TIP3 828 -19.267 2.953 19.277 1.00 0.00 WAT1 ATOM 3990 H1 TIP3 828 -19.005 2.007 19.306 1.00 0.00 WAT1 ATOM 3991 H2 TIP3 828 -18.423 3.435 19.337 1.00 0.00 WAT1 ATOM 3992 OH2 TIP3 829 -3.805 4.792 26.999 1.00 0.00 WAT1 ATOM 3993 H1 TIP3 829 -4.732 4.596 27.214 1.00 0.00 WAT1 ATOM 3994 H2 TIP3 829 -3.472 3.961 26.604 1.00 0.00 WAT1 ATOM 3995 OH2 TIP3 830 -6.672 -1.411 19.794 1.00 0.00 WAT1 ATOM 3996 H1 TIP3 830 -7.370 -0.917 20.261 1.00 0.00 WAT1 ATOM 3997 H2 TIP3 830 -7.089 -1.657 18.934 1.00 0.00 WAT1 ATOM 3998 OH2 TIP3 831 -7.723 1.412 25.241 1.00 0.00 WAT1 ATOM 3999 H1 TIP3 831 -7.260 1.889 25.954 1.00 0.00 WAT1 ATOM 4000 H2 TIP3 831 -8.640 1.744 25.288 1.00 0.00 WAT1 ATOM 4001 OH2 TIP3 832 -21.349 -3.883 17.708 1.00 0.00 WAT1 ATOM 4002 H1 TIP3 832 -22.195 -3.541 18.013 1.00 0.00 WAT1 ATOM 4003 H2 TIP3 832 -21.494 -4.846 17.635 1.00 0.00 WAT1 ATOM 4004 OH2 TIP3 833 -14.482 8.545 21.306 1.00 0.00 WAT1 ATOM 4005 H1 TIP3 833 -15.057 9.167 21.802 1.00 0.00 WAT1 ATOM 4006 H2 TIP3 833 -14.737 7.659 21.649 1.00 0.00 WAT1 ATOM 4007 OH2 TIP3 834 -15.902 10.471 22.810 1.00 0.00 WAT1 ATOM 4008 H1 TIP3 834 -16.722 10.793 22.411 1.00 0.00 WAT1 ATOM 4009 H2 TIP3 834 -15.444 11.286 23.105 1.00 0.00 WAT1 ATOM 4010 OH2 TIP3 835 -9.844 7.362 26.233 1.00 0.00 WAT1 ATOM 4011 H1 TIP3 835 -9.388 7.230 25.381 1.00 0.00 WAT1 ATOM 4012 H2 TIP3 835 -9.125 7.301 26.903 1.00 0.00 WAT1 ATOM 4013 OH2 TIP3 836 -18.832 11.787 20.904 1.00 0.00 WAT1 ATOM 4014 H1 TIP3 836 -19.165 12.599 21.360 1.00 0.00 WAT1 ATOM 4015 H2 TIP3 836 -19.630 11.402 20.488 1.00 0.00 WAT1 ATOM 4016 OH2 TIP3 837 -13.171 12.760 19.786 1.00 0.00 WAT1 ATOM 4017 H1 TIP3 837 -13.924 12.308 19.368 1.00 0.00 WAT1 ATOM 4018 H2 TIP3 837 -12.566 12.947 19.041 1.00 0.00 WAT1 ATOM 4019 OH2 TIP3 838 -11.864 11.893 22.080 1.00 0.00 WAT1 ATOM 4020 H1 TIP3 838 -12.312 12.353 21.333 1.00 0.00 WAT1 ATOM 4021 H2 TIP3 838 -11.980 12.500 22.840 1.00 0.00 WAT1 ATOM 4022 OH2 TIP3 839 -20.796 10.786 19.171 1.00 0.00 WAT1 ATOM 4023 H1 TIP3 839 -21.707 10.546 19.382 1.00 0.00 WAT1 ATOM 4024 H2 TIP3 839 -20.888 11.519 18.519 1.00 0.00 WAT1 ATOM 4025 OH2 TIP3 840 -12.352 -5.758 16.567 1.00 0.00 WAT1 ATOM 4026 H1 TIP3 840 -12.635 -6.361 15.857 1.00 0.00 WAT1 ATOM 4027 H2 TIP3 840 -13.034 -5.868 17.264 1.00 0.00 WAT1 ATOM 4028 OH2 TIP3 841 -8.188 -4.781 17.891 1.00 0.00 WAT1 ATOM 4029 H1 TIP3 841 -7.972 -4.928 18.837 1.00 0.00 WAT1 ATOM 4030 H2 TIP3 841 -9.127 -4.504 17.897 1.00 0.00 WAT1 ATOM 4031 OH2 TIP3 842 -16.571 -5.053 17.314 1.00 0.00 WAT1 ATOM 4032 H1 TIP3 842 -16.600 -4.866 16.345 1.00 0.00 WAT1 ATOM 4033 H2 TIP3 842 -17.118 -5.869 17.415 1.00 0.00 WAT1 ATOM 4034 OH2 TIP3 843 -21.381 10.322 13.406 1.00 0.00 WAT1 ATOM 4035 H1 TIP3 843 -21.601 9.863 12.589 1.00 0.00 WAT1 ATOM 4036 H2 TIP3 843 -20.533 9.944 13.670 1.00 0.00 WAT1 ATOM 4037 OH2 TIP3 844 -4.032 11.019 14.400 1.00 0.00 WAT1 ATOM 4038 H1 TIP3 844 -4.846 11.252 13.915 1.00 0.00 WAT1 ATOM 4039 H2 TIP3 844 -3.311 11.270 13.787 1.00 0.00 WAT1 ATOM 4040 OH2 TIP3 845 -17.050 8.856 13.579 1.00 0.00 WAT1 ATOM 4041 H1 TIP3 845 -17.397 8.993 14.491 1.00 0.00 WAT1 ATOM 4042 H2 TIP3 845 -17.227 7.908 13.398 1.00 0.00 WAT1 ATOM 4043 OH2 TIP3 846 -4.289 8.176 28.265 1.00 0.00 WAT1 ATOM 4044 H1 TIP3 846 -3.492 7.642 28.452 1.00 0.00 WAT1 ATOM 4045 H2 TIP3 846 -4.813 8.117 29.092 1.00 0.00 WAT1 ATOM 4046 OH2 TIP3 847 -9.755 10.108 29.243 1.00 0.00 WAT1 ATOM 4047 H1 TIP3 847 -10.509 9.828 29.775 1.00 0.00 WAT1 ATOM 4048 H2 TIP3 847 -10.108 10.149 28.330 1.00 0.00 WAT1 ATOM 4049 OH2 TIP3 848 -7.120 5.702 29.528 1.00 0.00 WAT1 ATOM 4050 H1 TIP3 848 -6.521 6.292 30.044 1.00 0.00 WAT1 ATOM 4051 H2 TIP3 848 -6.730 4.809 29.642 1.00 0.00 WAT1 ATOM 4052 OH2 TIP3 849 -8.786 4.709 27.503 1.00 0.00 WAT1 ATOM 4053 H1 TIP3 849 -8.348 5.149 28.263 1.00 0.00 WAT1 ATOM 4054 H2 TIP3 849 -9.731 4.669 27.761 1.00 0.00 WAT1 ATOM 4055 OH2 TIP3 850 -5.490 7.541 30.692 1.00 0.00 WAT1 ATOM 4056 H1 TIP3 850 -5.586 8.366 31.227 1.00 0.00 WAT1 ATOM 4057 H2 TIP3 850 -4.663 7.130 31.033 1.00 0.00 WAT1 ATOM 4058 OH2 TIP3 851 -13.496 9.206 26.586 1.00 0.00 WAT1 ATOM 4059 H1 TIP3 851 -14.145 9.949 26.560 1.00 0.00 WAT1 ATOM 4060 H2 TIP3 851 -12.633 9.649 26.645 1.00 0.00 WAT1 ATOM 4061 OH2 TIP3 852 -8.158 7.918 28.297 1.00 0.00 WAT1 ATOM 4062 H1 TIP3 852 -7.767 7.237 28.889 1.00 0.00 WAT1 ATOM 4063 H2 TIP3 852 -8.440 8.629 28.902 1.00 0.00 WAT1 ATOM 4064 OH2 TIP3 853 -11.540 4.356 27.719 1.00 0.00 WAT1 ATOM 4065 H1 TIP3 853 -11.950 5.090 27.208 1.00 0.00 WAT1 ATOM 4066 H2 TIP3 853 -12.173 4.177 28.423 1.00 0.00 WAT1 ATOM 4067 OH2 TIP3 854 -5.996 3.171 29.634 1.00 0.00 WAT1 ATOM 4068 H1 TIP3 854 -6.244 2.583 30.357 1.00 0.00 WAT1 ATOM 4069 H2 TIP3 854 -5.004 3.171 29.654 1.00 0.00 WAT1 ATOM 4070 OH2 TIP3 855 -17.278 21.308 -10.814 1.00 0.00 WAT1 ATOM 4071 H1 TIP3 855 -17.304 20.339 -10.701 1.00 0.00 WAT1 ATOM 4072 H2 TIP3 855 -16.409 21.570 -10.425 1.00 0.00 WAT1 ATOM 4073 OH2 TIP3 856 -18.805 24.795 -15.425 1.00 0.00 WAT1 ATOM 4074 H1 TIP3 856 -19.048 25.218 -16.259 1.00 0.00 WAT1 ATOM 4075 H2 TIP3 856 -17.846 25.002 -15.323 1.00 0.00 WAT1 ATOM 4076 OH2 TIP3 857 -18.809 22.805 -13.433 1.00 0.00 WAT1 ATOM 4077 H1 TIP3 857 -17.828 22.788 -13.406 1.00 0.00 WAT1 ATOM 4078 H2 TIP3 857 -19.014 23.460 -14.129 1.00 0.00 WAT1 ATOM 4079 OH2 TIP3 858 -11.432 27.971 -13.610 1.00 0.00 WAT1 ATOM 4080 H1 TIP3 858 -10.620 28.118 -14.115 1.00 0.00 WAT1 ATOM 4081 H2 TIP3 858 -11.215 27.214 -13.018 1.00 0.00 WAT1 ATOM 4082 OH2 TIP3 859 -5.175 18.156 -12.327 1.00 0.00 WAT1 ATOM 4083 H1 TIP3 859 -4.354 18.672 -12.410 1.00 0.00 WAT1 ATOM 4084 H2 TIP3 859 -4.931 17.405 -11.745 1.00 0.00 WAT1 ATOM 4085 OH2 TIP3 860 -14.638 24.355 -11.716 1.00 0.00 WAT1 ATOM 4086 H1 TIP3 860 -14.472 25.200 -11.244 1.00 0.00 WAT1 ATOM 4087 H2 TIP3 860 -13.855 24.252 -12.302 1.00 0.00 WAT1 ATOM 4088 OH2 TIP3 861 -5.565 23.204 -9.513 1.00 0.00 WAT1 ATOM 4089 H1 TIP3 861 -5.219 22.463 -8.975 1.00 0.00 WAT1 ATOM 4090 H2 TIP3 861 -4.781 23.777 -9.665 1.00 0.00 WAT1 ATOM 4091 OH2 TIP3 862 -5.314 22.091 -13.477 1.00 0.00 WAT1 ATOM 4092 H1 TIP3 862 -5.534 22.901 -13.971 1.00 0.00 WAT1 ATOM 4093 H2 TIP3 862 -6.171 21.803 -13.102 1.00 0.00 WAT1 ATOM 4094 OH2 TIP3 863 -7.746 21.536 -12.302 1.00 0.00 WAT1 ATOM 4095 H1 TIP3 863 -7.882 22.346 -11.762 1.00 0.00 WAT1 ATOM 4096 H2 TIP3 863 -8.658 21.202 -12.466 1.00 0.00 WAT1 ATOM 4097 OH2 TIP3 864 -13.769 26.331 -14.032 1.00 0.00 WAT1 ATOM 4098 H1 TIP3 864 -13.091 27.033 -14.015 1.00 0.00 WAT1 ATOM 4099 H2 TIP3 864 -13.258 25.504 -13.907 1.00 0.00 WAT1 ATOM 4100 OH2 TIP3 865 -12.556 23.836 -13.452 1.00 0.00 WAT1 ATOM 4101 H1 TIP3 865 -12.063 23.583 -12.632 1.00 0.00 WAT1 ATOM 4102 H2 TIP3 865 -12.101 23.356 -14.156 1.00 0.00 WAT1 ATOM 4103 OH2 TIP3 866 -7.092 30.452 -14.789 1.00 0.00 WAT1 ATOM 4104 H1 TIP3 866 -6.257 30.065 -14.468 1.00 0.00 WAT1 ATOM 4105 H2 TIP3 866 -7.721 30.304 -14.052 1.00 0.00 WAT1 ATOM 4106 OH2 TIP3 867 -17.891 22.925 -7.345 1.00 0.00 WAT1 ATOM 4107 H1 TIP3 867 -18.308 23.491 -6.680 1.00 0.00 WAT1 ATOM 4108 H2 TIP3 867 -17.030 23.368 -7.532 1.00 0.00 WAT1 ATOM 4109 OH2 TIP3 868 -19.828 26.371 -13.422 1.00 0.00 WAT1 ATOM 4110 H1 TIP3 868 -19.433 25.873 -14.168 1.00 0.00 WAT1 ATOM 4111 H2 TIP3 868 -20.454 25.735 -13.018 1.00 0.00 WAT1 ATOM 4112 OH2 TIP3 869 -2.919 28.700 -11.488 1.00 0.00 WAT1 ATOM 4113 H1 TIP3 869 -2.295 28.189 -10.929 1.00 0.00 WAT1 ATOM 4114 H2 TIP3 869 -2.572 29.618 -11.456 1.00 0.00 WAT1 ATOM 4115 OH2 TIP3 870 -6.302 19.977 -10.552 1.00 0.00 WAT1 ATOM 4116 H1 TIP3 870 -5.993 19.269 -11.149 1.00 0.00 WAT1 ATOM 4117 H2 TIP3 870 -6.861 20.544 -11.125 1.00 0.00 WAT1 ATOM 4118 OH2 TIP3 871 -10.409 17.909 -11.891 1.00 0.00 WAT1 ATOM 4119 H1 TIP3 871 -10.592 16.971 -11.711 1.00 0.00 WAT1 ATOM 4120 H2 TIP3 871 -9.479 17.918 -12.188 1.00 0.00 WAT1 ATOM 4121 OH2 TIP3 872 -11.404 21.624 -8.831 1.00 0.00 WAT1 ATOM 4122 H1 TIP3 872 -12.248 21.439 -8.407 1.00 0.00 WAT1 ATOM 4123 H2 TIP3 872 -10.763 21.064 -8.343 1.00 0.00 WAT1 ATOM 4124 OH2 TIP3 873 -17.652 18.721 -9.745 1.00 0.00 WAT1 ATOM 4125 H1 TIP3 873 -17.417 19.248 -8.940 1.00 0.00 WAT1 ATOM 4126 H2 TIP3 873 -17.268 17.848 -9.572 1.00 0.00 WAT1 ATOM 4127 OH2 TIP3 874 -10.307 20.657 -12.458 1.00 0.00 WAT1 ATOM 4128 H1 TIP3 874 -10.869 21.185 -11.871 1.00 0.00 WAT1 ATOM 4129 H2 TIP3 874 -10.506 19.728 -12.213 1.00 0.00 WAT1 ATOM 4130 OH2 TIP3 875 -7.820 17.868 -12.852 1.00 0.00 WAT1 ATOM 4131 H1 TIP3 875 -6.845 17.976 -12.754 1.00 0.00 WAT1 ATOM 4132 H2 TIP3 875 -8.042 18.424 -13.609 1.00 0.00 WAT1 ATOM 4133 OH2 TIP3 876 -11.188 26.077 -11.717 1.00 0.00 WAT1 ATOM 4134 H1 TIP3 876 -10.657 25.963 -10.903 1.00 0.00 WAT1 ATOM 4135 H2 TIP3 876 -12.104 26.239 -11.384 1.00 0.00 WAT1 ATOM 4136 OH2 TIP3 877 -16.080 22.954 -13.554 1.00 0.00 WAT1 ATOM 4137 H1 TIP3 877 -15.575 23.387 -12.832 1.00 0.00 WAT1 ATOM 4138 H2 TIP3 877 -15.577 22.153 -13.747 1.00 0.00 WAT1 ATOM 4139 OH2 TIP3 878 -19.540 21.879 -9.423 1.00 0.00 WAT1 ATOM 4140 H1 TIP3 878 -18.792 21.526 -9.944 1.00 0.00 WAT1 ATOM 4141 H2 TIP3 878 -19.128 22.181 -8.591 1.00 0.00 WAT1 ATOM 4142 OH2 TIP3 879 -15.470 24.108 -7.700 1.00 0.00 WAT1 ATOM 4143 H1 TIP3 879 -14.790 24.328 -7.053 1.00 0.00 WAT1 ATOM 4144 H2 TIP3 879 -15.490 24.896 -8.307 1.00 0.00 WAT1 ATOM 4145 OH2 TIP3 880 -9.715 25.520 -9.454 1.00 0.00 WAT1 ATOM 4146 H1 TIP3 880 -9.601 26.499 -9.499 1.00 0.00 WAT1 ATOM 4147 H2 TIP3 880 -9.977 25.356 -8.523 1.00 0.00 WAT1 ATOM 4148 OH2 TIP3 881 0.544 24.816 -8.279 1.00 0.00 WAT1 ATOM 4149 H1 TIP3 881 1.303 24.202 -8.191 1.00 0.00 WAT1 ATOM 4150 H2 TIP3 881 -0.137 24.283 -8.739 1.00 0.00 WAT1 ATOM 4151 OH2 TIP3 882 -12.158 29.123 -11.227 1.00 0.00 WAT1 ATOM 4152 H1 TIP3 882 -11.976 28.852 -12.153 1.00 0.00 WAT1 ATOM 4153 H2 TIP3 882 -12.775 28.428 -10.895 1.00 0.00 WAT1 ATOM 4154 OH2 TIP3 883 -8.607 25.344 -12.974 1.00 0.00 WAT1 ATOM 4155 H1 TIP3 883 -9.529 25.533 -12.733 1.00 0.00 WAT1 ATOM 4156 H2 TIP3 883 -8.264 24.817 -12.214 1.00 0.00 WAT1 ATOM 4157 OH2 TIP3 884 -11.028 32.480 -8.631 1.00 0.00 WAT1 ATOM 4158 H1 TIP3 884 -10.984 32.109 -9.533 1.00 0.00 WAT1 ATOM 4159 H2 TIP3 884 -11.302 31.719 -8.071 1.00 0.00 WAT1 ATOM 4160 OH2 TIP3 885 -16.627 16.917 -7.110 1.00 0.00 WAT1 ATOM 4161 H1 TIP3 885 -15.658 16.961 -7.193 1.00 0.00 WAT1 ATOM 4162 H2 TIP3 885 -16.805 17.291 -6.223 1.00 0.00 WAT1 ATOM 4163 OH2 TIP3 886 -7.849 15.816 -10.975 1.00 0.00 WAT1 ATOM 4164 H1 TIP3 886 -7.795 16.591 -11.572 1.00 0.00 WAT1 ATOM 4165 H2 TIP3 886 -8.694 15.386 -11.224 1.00 0.00 WAT1 ATOM 4166 OH2 TIP3 887 -7.665 31.033 -17.413 1.00 0.00 WAT1 ATOM 4167 H1 TIP3 887 -7.481 30.807 -16.475 1.00 0.00 WAT1 ATOM 4168 H2 TIP3 887 -6.986 30.565 -17.905 1.00 0.00 WAT1 ATOM 4169 OH2 TIP3 888 -7.886 23.848 -10.789 1.00 0.00 WAT1 ATOM 4170 H1 TIP3 888 -7.038 23.612 -10.332 1.00 0.00 WAT1 ATOM 4171 H2 TIP3 888 -8.374 24.374 -10.128 1.00 0.00 WAT1 ATOM 4172 OH2 TIP3 889 -14.999 22.355 -9.813 1.00 0.00 WAT1 ATOM 4173 H1 TIP3 889 -14.677 23.014 -10.455 1.00 0.00 WAT1 ATOM 4174 H2 TIP3 889 -15.147 22.870 -8.996 1.00 0.00 WAT1 ATOM 4175 OH2 TIP3 890 -17.125 20.196 -7.557 1.00 0.00 WAT1 ATOM 4176 H1 TIP3 890 -16.438 19.983 -6.886 1.00 0.00 WAT1 ATOM 4177 H2 TIP3 890 -17.289 21.151 -7.437 1.00 0.00 WAT1 ATOM 4178 OH2 TIP3 891 -11.344 23.098 -11.114 1.00 0.00 WAT1 ATOM 4179 H1 TIP3 891 -10.760 23.814 -10.823 1.00 0.00 WAT1 ATOM 4180 H2 TIP3 891 -11.440 22.529 -10.313 1.00 0.00 WAT1 ATOM 4181 OH2 TIP3 892 -9.726 20.076 -7.235 1.00 0.00 WAT1 ATOM 4182 H1 TIP3 892 -8.785 19.970 -7.507 1.00 0.00 WAT1 ATOM 4183 H2 TIP3 892 -9.675 20.336 -6.304 1.00 0.00 WAT1 ATOM 4184 OH2 TIP3 893 -20.319 19.041 -7.652 1.00 0.00 WAT1 ATOM 4185 H1 TIP3 893 -20.419 19.207 -8.609 1.00 0.00 WAT1 ATOM 4186 H2 TIP3 893 -19.383 18.813 -7.550 1.00 0.00 WAT1 ATOM 4187 OH2 TIP3 894 -11.057 17.553 -7.675 1.00 0.00 WAT1 ATOM 4188 H1 TIP3 894 -10.710 18.466 -7.652 1.00 0.00 WAT1 ATOM 4189 H2 TIP3 894 -10.260 17.000 -7.786 1.00 0.00 WAT1 ATOM 4190 OH2 TIP3 895 -10.439 15.096 -11.466 1.00 0.00 WAT1 ATOM 4191 H1 TIP3 895 -10.880 14.981 -10.589 1.00 0.00 WAT1 ATOM 4192 H2 TIP3 895 -10.999 14.606 -12.077 1.00 0.00 WAT1 ATOM 4193 OH2 TIP3 896 -8.899 15.695 -8.407 1.00 0.00 WAT1 ATOM 4194 H1 TIP3 896 -9.659 15.119 -8.611 1.00 0.00 WAT1 ATOM 4195 H2 TIP3 896 -8.443 15.805 -9.266 1.00 0.00 WAT1 ATOM 4196 OH2 TIP3 897 -16.821 17.355 -4.394 1.00 0.00 WAT1 ATOM 4197 H1 TIP3 897 -17.590 17.679 -3.868 1.00 0.00 WAT1 ATOM 4198 H2 TIP3 897 -16.725 16.417 -4.117 1.00 0.00 WAT1 ATOM 4199 OH2 TIP3 898 -15.789 12.950 -7.408 1.00 0.00 WAT1 ATOM 4200 H1 TIP3 898 -16.456 13.539 -7.004 1.00 0.00 WAT1 ATOM 4201 H2 TIP3 898 -16.306 12.244 -7.802 1.00 0.00 WAT1 ATOM 4202 OH2 TIP3 899 -22.324 31.464 -18.936 1.00 0.00 WAT1 ATOM 4203 H1 TIP3 899 -23.195 31.039 -18.764 1.00 0.00 WAT1 ATOM 4204 H2 TIP3 899 -21.978 30.988 -19.700 1.00 0.00 WAT1 ATOM 4205 OH2 TIP3 900 -20.453 29.205 -16.123 1.00 0.00 WAT1 ATOM 4206 H1 TIP3 900 -19.660 28.648 -16.266 1.00 0.00 WAT1 ATOM 4207 H2 TIP3 900 -21.148 28.789 -16.684 1.00 0.00 WAT1 ATOM 4208 OH2 TIP3 901 -9.394 33.163 -17.717 1.00 0.00 WAT1 ATOM 4209 H1 TIP3 901 -8.789 32.432 -17.964 1.00 0.00 WAT1 ATOM 4210 H2 TIP3 901 -9.352 33.183 -16.747 1.00 0.00 WAT1 ATOM 4211 OH2 TIP3 902 -5.067 29.148 -13.193 1.00 0.00 WAT1 ATOM 4212 H1 TIP3 902 -5.509 28.307 -13.471 1.00 0.00 WAT1 ATOM 4213 H2 TIP3 902 -4.208 28.853 -12.831 1.00 0.00 WAT1 ATOM 4214 OH2 TIP3 903 -6.244 26.790 -13.752 1.00 0.00 WAT1 ATOM 4215 H1 TIP3 903 -5.942 25.992 -14.219 1.00 0.00 WAT1 ATOM 4216 H2 TIP3 903 -7.112 26.536 -13.390 1.00 0.00 WAT1 ATOM 4217 OH2 TIP3 904 -20.018 20.428 -13.014 1.00 0.00 WAT1 ATOM 4218 H1 TIP3 904 -19.541 21.295 -13.035 1.00 0.00 WAT1 ATOM 4219 H2 TIP3 904 -19.546 19.885 -13.655 1.00 0.00 WAT1 ATOM 4220 OH2 TIP3 905 -6.925 19.926 -7.902 1.00 0.00 WAT1 ATOM 4221 H1 TIP3 905 -6.846 19.919 -8.885 1.00 0.00 WAT1 ATOM 4222 H2 TIP3 905 -6.173 20.479 -7.611 1.00 0.00 WAT1 ATOM 4223 OH2 TIP3 906 -5.446 17.558 -8.137 1.00 0.00 WAT1 ATOM 4224 H1 TIP3 906 -6.055 18.305 -7.966 1.00 0.00 WAT1 ATOM 4225 H2 TIP3 906 -4.553 17.959 -8.060 1.00 0.00 WAT1 ATOM 4226 OH2 TIP3 907 -22.270 17.275 -6.718 1.00 0.00 WAT1 ATOM 4227 H1 TIP3 907 -21.548 17.879 -6.980 1.00 0.00 WAT1 ATOM 4228 H2 TIP3 907 -22.979 17.462 -7.361 1.00 0.00 WAT1 ATOM 4229 OH2 TIP3 908 -4.328 11.671 -6.892 1.00 0.00 WAT1 ATOM 4230 H1 TIP3 908 -3.376 11.478 -7.079 1.00 0.00 WAT1 ATOM 4231 H2 TIP3 908 -4.769 11.505 -7.733 1.00 0.00 WAT1 ATOM 4232 OH2 TIP3 909 -6.438 15.250 -7.129 1.00 0.00 WAT1 ATOM 4233 H1 TIP3 909 -7.370 15.223 -7.427 1.00 0.00 WAT1 ATOM 4234 H2 TIP3 909 -6.139 16.156 -7.369 1.00 0.00 WAT1 ATOM 4235 OH2 TIP3 910 -8.998 32.613 -6.821 1.00 0.00 WAT1 ATOM 4236 H1 TIP3 910 -9.661 32.597 -7.541 1.00 0.00 WAT1 ATOM 4237 H2 TIP3 910 -8.173 32.312 -7.246 1.00 0.00 WAT1 ATOM 4238 OH2 TIP3 911 -15.754 27.324 -12.212 1.00 0.00 WAT1 ATOM 4239 H1 TIP3 911 -15.135 27.249 -11.452 1.00 0.00 WAT1 ATOM 4240 H2 TIP3 911 -15.237 26.989 -12.967 1.00 0.00 WAT1 ATOM 4241 OH2 TIP3 912 -10.753 31.399 -11.146 1.00 0.00 WAT1 ATOM 4242 H1 TIP3 912 -11.163 32.016 -11.771 1.00 0.00 WAT1 ATOM 4243 H2 TIP3 912 -11.356 30.612 -11.151 1.00 0.00 WAT1 ATOM 4244 OH2 TIP3 913 -9.865 28.199 -9.788 1.00 0.00 WAT1 ATOM 4245 H1 TIP3 913 -9.267 28.967 -9.795 1.00 0.00 WAT1 ATOM 4246 H2 TIP3 913 -10.675 28.522 -10.226 1.00 0.00 WAT1 ATOM 4247 OH2 TIP3 914 -8.338 30.615 -9.772 1.00 0.00 WAT1 ATOM 4248 H1 TIP3 914 -7.787 31.268 -9.299 1.00 0.00 WAT1 ATOM 4249 H2 TIP3 914 -9.076 31.142 -10.132 1.00 0.00 WAT1 ATOM 4250 OH2 TIP3 915 -18.130 28.417 -12.894 1.00 0.00 WAT1 ATOM 4251 H1 TIP3 915 -17.258 28.056 -12.603 1.00 0.00 WAT1 ATOM 4252 H2 TIP3 915 -18.712 27.625 -12.945 1.00 0.00 WAT1 ATOM 4253 OH2 TIP3 916 -18.027 27.798 -15.687 1.00 0.00 WAT1 ATOM 4254 H1 TIP3 916 -17.236 27.239 -15.701 1.00 0.00 WAT1 ATOM 4255 H2 TIP3 916 -18.022 28.196 -14.797 1.00 0.00 WAT1 ATOM 4256 OH2 TIP3 917 -16.185 25.364 -14.983 1.00 0.00 WAT1 ATOM 4257 H1 TIP3 917 -16.113 24.503 -14.524 1.00 0.00 WAT1 ATOM 4258 H2 TIP3 917 -15.318 25.793 -14.820 1.00 0.00 WAT1 ATOM 4259 OH2 TIP3 918 -17.799 14.567 -6.240 1.00 0.00 WAT1 ATOM 4260 H1 TIP3 918 -17.457 15.388 -6.651 1.00 0.00 WAT1 ATOM 4261 H2 TIP3 918 -17.529 14.638 -5.300 1.00 0.00 WAT1 ATOM 4262 OH2 TIP3 919 -18.484 12.407 -3.066 1.00 0.00 WAT1 ATOM 4263 H1 TIP3 919 -18.282 11.719 -3.710 1.00 0.00 WAT1 ATOM 4264 H2 TIP3 919 -18.274 11.993 -2.197 1.00 0.00 WAT1 ATOM 4265 OH2 TIP3 920 -9.565 10.868 -7.268 1.00 0.00 WAT1 ATOM 4266 H1 TIP3 920 -9.266 10.743 -8.174 1.00 0.00 WAT1 ATOM 4267 H2 TIP3 920 -8.735 10.822 -6.734 1.00 0.00 WAT1 ATOM 4268 OH2 TIP3 921 -3.883 18.072 5.760 1.00 0.00 WAT1 ATOM 4269 H1 TIP3 921 -3.058 17.850 5.277 1.00 0.00 WAT1 ATOM 4270 H2 TIP3 921 -4.001 19.021 5.596 1.00 0.00 WAT1 ATOM 4271 OH2 TIP3 922 -6.126 13.058 5.538 1.00 0.00 WAT1 ATOM 4272 H1 TIP3 922 -6.444 13.231 4.620 1.00 0.00 WAT1 ATOM 4273 H2 TIP3 922 -5.186 13.284 5.510 1.00 0.00 WAT1 ATOM 4274 OH2 TIP3 923 -3.891 12.551 -4.103 1.00 0.00 WAT1 ATOM 4275 H1 TIP3 923 -4.427 13.359 -4.259 1.00 0.00 WAT1 ATOM 4276 H2 TIP3 923 -3.899 12.095 -4.960 1.00 0.00 WAT1 ATOM 4277 OH2 TIP3 924 -6.769 18.731 8.211 1.00 0.00 WAT1 ATOM 4278 H1 TIP3 924 -7.003 18.538 9.147 1.00 0.00 WAT1 ATOM 4279 H2 TIP3 924 -7.195 19.576 8.032 1.00 0.00 WAT1 ATOM 4280 OH2 TIP3 925 -11.561 14.897 -9.026 1.00 0.00 WAT1 ATOM 4281 H1 TIP3 925 -12.104 14.225 -8.555 1.00 0.00 WAT1 ATOM 4282 H2 TIP3 925 -11.804 15.738 -8.602 1.00 0.00 WAT1 ATOM 4283 OH2 TIP3 926 -15.326 19.313 -5.614 1.00 0.00 WAT1 ATOM 4284 H1 TIP3 926 -14.628 18.761 -6.019 1.00 0.00 WAT1 ATOM 4285 H2 TIP3 926 -15.799 18.696 -5.017 1.00 0.00 WAT1 ATOM 4286 OH2 TIP3 927 -7.452 19.275 4.929 1.00 0.00 WAT1 ATOM 4287 H1 TIP3 927 -7.119 18.442 5.305 1.00 0.00 WAT1 ATOM 4288 H2 TIP3 927 -7.182 19.242 3.996 1.00 0.00 WAT1 ATOM 4289 OH2 TIP3 928 -11.761 15.008 0.132 1.00 0.00 WAT1 ATOM 4290 H1 TIP3 928 -12.610 15.228 0.532 1.00 0.00 WAT1 ATOM 4291 H2 TIP3 928 -11.128 15.635 0.545 1.00 0.00 WAT1 ATOM 4292 OH2 TIP3 929 -14.973 15.158 -1.725 1.00 0.00 WAT1 ATOM 4293 H1 TIP3 929 -14.286 15.822 -1.927 1.00 0.00 WAT1 ATOM 4294 H2 TIP3 929 -15.037 15.171 -0.757 1.00 0.00 WAT1 ATOM 4295 OH2 TIP3 930 -6.420 16.982 6.205 1.00 0.00 WAT1 ATOM 4296 H1 TIP3 930 -6.575 17.565 6.989 1.00 0.00 WAT1 ATOM 4297 H2 TIP3 930 -5.498 17.185 5.939 1.00 0.00 WAT1 ATOM 4298 OH2 TIP3 931 -20.941 14.413 0.768 1.00 0.00 WAT1 ATOM 4299 H1 TIP3 931 -21.295 14.367 1.681 1.00 0.00 WAT1 ATOM 4300 H2 TIP3 931 -21.664 14.047 0.209 1.00 0.00 WAT1 ATOM 4301 OH2 TIP3 932 -7.423 18.011 10.742 1.00 0.00 WAT1 ATOM 4302 H1 TIP3 932 -6.668 17.388 10.786 1.00 0.00 WAT1 ATOM 4303 H2 TIP3 932 -7.431 18.439 11.623 1.00 0.00 WAT1 ATOM 4304 OH2 TIP3 933 -10.331 13.541 9.797 1.00 0.00 WAT1 ATOM 4305 H1 TIP3 933 -11.300 13.413 9.884 1.00 0.00 WAT1 ATOM 4306 H2 TIP3 933 -9.950 12.995 10.515 1.00 0.00 WAT1 ATOM 4307 OH2 TIP3 934 -9.145 12.010 11.827 1.00 0.00 WAT1 ATOM 4308 H1 TIP3 934 -8.709 12.698 12.372 1.00 0.00 WAT1 ATOM 4309 H2 TIP3 934 -9.353 11.299 12.466 1.00 0.00 WAT1 ATOM 4310 OH2 TIP3 935 -24.021 31.399 -1.330 1.00 0.00 WAT1 ATOM 4311 H1 TIP3 935 -24.315 32.304 -1.108 1.00 0.00 WAT1 ATOM 4312 H2 TIP3 935 -23.292 31.229 -0.715 1.00 0.00 WAT1 ATOM 4313 OH2 TIP3 936 -9.444 14.840 -4.376 1.00 0.00 WAT1 ATOM 4314 H1 TIP3 936 -9.845 14.396 -5.161 1.00 0.00 WAT1 ATOM 4315 H2 TIP3 936 -10.082 14.656 -3.648 1.00 0.00 WAT1 ATOM 4316 OH2 TIP3 937 -5.396 16.174 10.641 1.00 0.00 WAT1 ATOM 4317 H1 TIP3 937 -5.741 15.336 10.311 1.00 0.00 WAT1 ATOM 4318 H2 TIP3 937 -4.792 16.480 9.935 1.00 0.00 WAT1 ATOM 4319 OH2 TIP3 938 -3.729 14.392 -7.168 1.00 0.00 WAT1 ATOM 4320 H1 TIP3 938 -3.925 13.460 -6.972 1.00 0.00 WAT1 ATOM 4321 H2 TIP3 938 -4.606 14.810 -7.228 1.00 0.00 WAT1 ATOM 4322 OH2 TIP3 939 -18.933 18.074 -2.901 1.00 0.00 WAT1 ATOM 4323 H1 TIP3 939 -19.105 18.328 -1.982 1.00 0.00 WAT1 ATOM 4324 H2 TIP3 939 -19.798 17.740 -3.223 1.00 0.00 WAT1 ATOM 4325 OH2 TIP3 940 -19.163 13.107 3.937 1.00 0.00 WAT1 ATOM 4326 H1 TIP3 940 -18.848 13.658 4.664 1.00 0.00 WAT1 ATOM 4327 H2 TIP3 940 -20.064 13.457 3.745 1.00 0.00 WAT1 ATOM 4328 OH2 TIP3 941 -2.367 10.838 7.588 1.00 0.00 WAT1 ATOM 4329 H1 TIP3 941 -3.296 10.634 7.431 1.00 0.00 WAT1 ATOM 4330 H2 TIP3 941 -2.241 11.727 7.171 1.00 0.00 WAT1 ATOM 4331 OH2 TIP3 942 -10.178 16.819 1.433 1.00 0.00 WAT1 ATOM 4332 H1 TIP3 942 -9.780 16.361 2.203 1.00 0.00 WAT1 ATOM 4333 H2 TIP3 942 -10.465 17.680 1.788 1.00 0.00 WAT1 ATOM 4334 OH2 TIP3 943 -5.990 13.697 0.779 1.00 0.00 WAT1 ATOM 4335 H1 TIP3 943 -6.289 14.325 0.088 1.00 0.00 WAT1 ATOM 4336 H2 TIP3 943 -5.002 13.758 0.741 1.00 0.00 WAT1 ATOM 4337 OH2 TIP3 944 -6.568 15.643 -1.140 1.00 0.00 WAT1 ATOM 4338 H1 TIP3 944 -6.595 16.564 -0.814 1.00 0.00 WAT1 ATOM 4339 H2 TIP3 944 -7.355 15.560 -1.692 1.00 0.00 WAT1 ATOM 4340 OH2 TIP3 945 -22.800 13.630 -1.133 1.00 0.00 WAT1 ATOM 4341 H1 TIP3 945 -23.324 12.823 -1.312 1.00 0.00 WAT1 ATOM 4342 H2 TIP3 945 -22.116 13.637 -1.848 1.00 0.00 WAT1 ATOM 4343 OH2 TIP3 946 -20.921 13.766 -3.087 1.00 0.00 WAT1 ATOM 4344 H1 TIP3 946 -20.061 13.298 -3.049 1.00 0.00 WAT1 ATOM 4345 H2 TIP3 946 -20.905 14.225 -3.951 1.00 0.00 WAT1 ATOM 4346 OH2 TIP3 947 -18.728 12.821 1.223 1.00 0.00 WAT1 ATOM 4347 H1 TIP3 947 -19.443 13.416 0.907 1.00 0.00 WAT1 ATOM 4348 H2 TIP3 947 -18.720 12.953 2.191 1.00 0.00 WAT1 ATOM 4349 OH2 TIP3 948 -7.324 13.410 3.128 1.00 0.00 WAT1 ATOM 4350 H1 TIP3 948 -6.745 13.562 2.343 1.00 0.00 WAT1 ATOM 4351 H2 TIP3 948 -7.972 12.741 2.820 1.00 0.00 WAT1 ATOM 4352 OH2 TIP3 949 -5.592 14.670 -4.604 1.00 0.00 WAT1 ATOM 4353 H1 TIP3 949 -5.926 14.856 -5.511 1.00 0.00 WAT1 ATOM 4354 H2 TIP3 949 -5.408 15.557 -4.234 1.00 0.00 WAT1 ATOM 4355 OH2 TIP3 950 -16.964 14.742 -3.579 1.00 0.00 WAT1 ATOM 4356 H1 TIP3 950 -17.527 14.005 -3.264 1.00 0.00 WAT1 ATOM 4357 H2 TIP3 950 -16.242 14.798 -2.908 1.00 0.00 WAT1 ATOM 4358 OH2 TIP3 951 -13.688 17.286 -6.609 1.00 0.00 WAT1 ATOM 4359 H1 TIP3 951 -13.428 16.698 -5.888 1.00 0.00 WAT1 ATOM 4360 H2 TIP3 951 -12.853 17.445 -7.100 1.00 0.00 WAT1 ATOM 4361 OH2 TIP3 952 -18.148 11.906 7.360 1.00 0.00 WAT1 ATOM 4362 H1 TIP3 952 -18.986 11.891 7.837 1.00 0.00 WAT1 ATOM 4363 H2 TIP3 952 -17.524 12.328 7.987 1.00 0.00 WAT1 ATOM 4364 OH2 TIP3 953 -16.720 13.145 9.363 1.00 0.00 WAT1 ATOM 4365 H1 TIP3 953 -15.974 12.584 9.678 1.00 0.00 WAT1 ATOM 4366 H2 TIP3 953 -17.326 13.183 10.134 1.00 0.00 WAT1 ATOM 4367 OH2 TIP3 954 -9.397 7.528 10.752 1.00 0.00 WAT1 ATOM 4368 H1 TIP3 954 -9.516 7.448 11.728 1.00 0.00 WAT1 ATOM 4369 H2 TIP3 954 -9.506 8.472 10.577 1.00 0.00 WAT1 ATOM 4370 OH2 TIP3 955 -10.242 23.028 16.665 1.00 0.00 WAT1 ATOM 4371 H1 TIP3 955 -10.294 23.961 16.365 1.00 0.00 WAT1 ATOM 4372 H2 TIP3 955 -9.311 22.922 16.964 1.00 0.00 WAT1 ATOM 4373 OH2 TIP3 956 -11.522 23.282 21.315 1.00 0.00 WAT1 ATOM 4374 H1 TIP3 956 -11.533 24.220 21.537 1.00 0.00 WAT1 ATOM 4375 H2 TIP3 956 -10.601 23.002 21.517 1.00 0.00 WAT1 ATOM 4376 OH2 TIP3 957 -15.569 23.299 19.162 1.00 0.00 WAT1 ATOM 4377 H1 TIP3 957 -15.272 23.255 20.098 1.00 0.00 WAT1 ATOM 4378 H2 TIP3 957 -14.775 23.055 18.655 1.00 0.00 WAT1 ATOM 4379 OH2 TIP3 958 -20.469 24.386 16.845 1.00 0.00 WAT1 ATOM 4380 H1 TIP3 958 -20.607 23.665 17.487 1.00 0.00 WAT1 ATOM 4381 H2 TIP3 958 -21.376 24.655 16.584 1.00 0.00 WAT1 ATOM 4382 OH2 TIP3 959 -17.362 20.335 15.640 1.00 0.00 WAT1 ATOM 4383 H1 TIP3 959 -18.266 20.616 15.869 1.00 0.00 WAT1 ATOM 4384 H2 TIP3 959 -17.365 19.373 15.800 1.00 0.00 WAT1 ATOM 4385 OH2 TIP3 960 -11.121 19.515 23.623 1.00 0.00 WAT1 ATOM 4386 H1 TIP3 960 -10.282 19.328 24.098 1.00 0.00 WAT1 ATOM 4387 H2 TIP3 960 -10.906 20.259 23.053 1.00 0.00 WAT1 ATOM 4388 OH2 TIP3 961 -7.416 17.600 19.270 1.00 0.00 WAT1 ATOM 4389 H1 TIP3 961 -8.055 17.341 18.578 1.00 0.00 WAT1 ATOM 4390 H2 TIP3 961 -7.069 16.748 19.609 1.00 0.00 WAT1 ATOM 4391 OH2 TIP3 962 -19.464 18.090 17.857 1.00 0.00 WAT1 ATOM 4392 H1 TIP3 962 -19.658 17.125 17.913 1.00 0.00 WAT1 ATOM 4393 H2 TIP3 962 -18.595 18.128 17.401 1.00 0.00 WAT1 ATOM 4394 OH2 TIP3 963 -4.901 22.949 23.715 1.00 0.00 WAT1 ATOM 4395 H1 TIP3 963 -5.624 22.309 23.879 1.00 0.00 WAT1 ATOM 4396 H2 TIP3 963 -4.130 22.547 24.127 1.00 0.00 WAT1 ATOM 4397 OH2 TIP3 964 -15.233 11.249 26.101 1.00 0.00 WAT1 ATOM 4398 H1 TIP3 964 -15.901 11.699 26.628 1.00 0.00 WAT1 ATOM 4399 H2 TIP3 964 -15.096 11.841 25.330 1.00 0.00 WAT1 ATOM 4400 OH2 TIP3 965 -10.580 25.677 15.653 1.00 0.00 WAT1 ATOM 4401 H1 TIP3 965 -11.182 26.440 15.517 1.00 0.00 WAT1 ATOM 4402 H2 TIP3 965 -9.821 26.058 16.144 1.00 0.00 WAT1 ATOM 4403 OH2 TIP3 966 -5.846 19.490 20.372 1.00 0.00 WAT1 ATOM 4404 H1 TIP3 966 -4.980 19.178 20.078 1.00 0.00 WAT1 ATOM 4405 H2 TIP3 966 -6.486 18.857 19.954 1.00 0.00 WAT1 ATOM 4406 OH2 TIP3 967 -14.636 15.464 22.386 1.00 0.00 WAT1 ATOM 4407 H1 TIP3 967 -13.975 15.048 21.817 1.00 0.00 WAT1 ATOM 4408 H2 TIP3 967 -14.206 16.286 22.693 1.00 0.00 WAT1 ATOM 4409 OH2 TIP3 968 -7.552 22.533 17.369 1.00 0.00 WAT1 ATOM 4410 H1 TIP3 968 -6.830 21.989 17.004 1.00 0.00 WAT1 ATOM 4411 H2 TIP3 968 -7.484 22.396 18.340 1.00 0.00 WAT1 ATOM 4412 OH2 TIP3 969 -14.973 14.796 7.974 1.00 0.00 WAT1 ATOM 4413 H1 TIP3 969 -15.488 15.535 7.637 1.00 0.00 WAT1 ATOM 4414 H2 TIP3 969 -15.639 14.212 8.398 1.00 0.00 WAT1 ATOM 4415 OH2 TIP3 970 -11.829 18.136 16.244 1.00 0.00 WAT1 ATOM 4416 H1 TIP3 970 -10.910 17.868 16.406 1.00 0.00 WAT1 ATOM 4417 H2 TIP3 970 -11.873 19.055 16.586 1.00 0.00 WAT1 ATOM 4418 OH2 TIP3 971 -8.564 19.168 24.614 1.00 0.00 WAT1 ATOM 4419 H1 TIP3 971 -7.820 18.736 24.155 1.00 0.00 WAT1 ATOM 4420 H2 TIP3 971 -8.560 18.760 25.515 1.00 0.00 WAT1 ATOM 4421 OH2 TIP3 972 -16.979 24.917 17.101 1.00 0.00 WAT1 ATOM 4422 H1 TIP3 972 -17.886 24.698 17.362 1.00 0.00 WAT1 ATOM 4423 H2 TIP3 972 -16.425 24.411 17.721 1.00 0.00 WAT1 ATOM 4424 OH2 TIP3 973 -12.710 22.863 18.701 1.00 0.00 WAT1 ATOM 4425 H1 TIP3 973 -11.960 23.229 18.211 1.00 0.00 WAT1 ATOM 4426 H2 TIP3 973 -12.400 22.832 19.625 1.00 0.00 WAT1 ATOM 4427 OH2 TIP3 974 -7.911 21.407 13.286 1.00 0.00 WAT1 ATOM 4428 H1 TIP3 974 -7.709 22.251 13.744 1.00 0.00 WAT1 ATOM 4429 H2 TIP3 974 -8.882 21.339 13.333 1.00 0.00 WAT1 ATOM 4430 OH2 TIP3 975 -9.692 28.933 16.408 1.00 0.00 WAT1 ATOM 4431 H1 TIP3 975 -9.280 29.801 16.223 1.00 0.00 WAT1 ATOM 4432 H2 TIP3 975 -10.529 28.963 15.918 1.00 0.00 WAT1 ATOM 4433 OH2 TIP3 976 -5.888 12.080 12.548 1.00 0.00 WAT1 ATOM 4434 H1 TIP3 976 -6.597 12.669 12.876 1.00 0.00 WAT1 ATOM 4435 H2 TIP3 976 -5.146 12.686 12.351 1.00 0.00 WAT1 ATOM 4436 OH2 TIP3 977 -11.367 30.370 14.482 1.00 0.00 WAT1 ATOM 4437 H1 TIP3 977 -11.566 30.924 13.700 1.00 0.00 WAT1 ATOM 4438 H2 TIP3 977 -10.643 30.848 14.931 1.00 0.00 WAT1 ATOM 4439 OH2 TIP3 978 -15.463 27.284 12.700 1.00 0.00 WAT1 ATOM 4440 H1 TIP3 978 -16.110 27.753 12.125 1.00 0.00 WAT1 ATOM 4441 H2 TIP3 978 -15.997 27.016 13.483 1.00 0.00 WAT1 ATOM 4442 OH2 TIP3 979 -9.083 31.564 15.615 1.00 0.00 WAT1 ATOM 4443 H1 TIP3 979 -9.003 32.128 14.811 1.00 0.00 WAT1 ATOM 4444 H2 TIP3 979 -8.582 32.043 16.287 1.00 0.00 WAT1 ATOM 4445 OH2 TIP3 980 -8.575 17.909 27.008 1.00 0.00 WAT1 ATOM 4446 H1 TIP3 980 -8.811 18.062 27.926 1.00 0.00 WAT1 ATOM 4447 H2 TIP3 980 -8.711 16.938 26.883 1.00 0.00 WAT1 ATOM 4448 OH2 TIP3 981 -17.932 13.547 18.945 1.00 0.00 WAT1 ATOM 4449 H1 TIP3 981 -18.242 12.884 19.591 1.00 0.00 WAT1 ATOM 4450 H2 TIP3 981 -17.436 14.197 19.491 1.00 0.00 WAT1 ATOM 4451 OH2 TIP3 982 -10.980 9.974 23.897 1.00 0.00 WAT1 ATOM 4452 H1 TIP3 982 -11.639 9.267 23.749 1.00 0.00 WAT1 ATOM 4453 H2 TIP3 982 -11.230 10.674 23.254 1.00 0.00 WAT1 ATOM 4454 OH2 TIP3 983 -9.003 15.256 26.780 1.00 0.00 WAT1 ATOM 4455 H1 TIP3 983 -9.796 14.753 26.547 1.00 0.00 WAT1 ATOM 4456 H2 TIP3 983 -8.321 14.573 26.920 1.00 0.00 WAT1 ATOM 4457 OH2 TIP3 984 -7.369 18.724 13.371 1.00 0.00 WAT1 ATOM 4458 H1 TIP3 984 -6.453 18.776 13.720 1.00 0.00 WAT1 ATOM 4459 H2 TIP3 984 -7.675 19.657 13.369 1.00 0.00 WAT1 ATOM 4460 OH2 TIP3 985 -14.321 23.126 21.640 1.00 0.00 WAT1 ATOM 4461 H1 TIP3 985 -14.468 23.127 22.589 1.00 0.00 WAT1 ATOM 4462 H2 TIP3 985 -13.354 23.038 21.547 1.00 0.00 WAT1 ATOM 4463 OH2 TIP3 986 -10.596 21.813 14.176 1.00 0.00 WAT1 ATOM 4464 H1 TIP3 986 -10.564 22.642 13.644 1.00 0.00 WAT1 ATOM 4465 H2 TIP3 986 -10.337 22.095 15.074 1.00 0.00 WAT1 ATOM 4466 OH2 TIP3 987 -8.790 22.968 21.908 1.00 0.00 WAT1 ATOM 4467 H1 TIP3 987 -8.186 23.713 22.137 1.00 0.00 WAT1 ATOM 4468 H2 TIP3 987 -8.334 22.514 21.169 1.00 0.00 WAT1 ATOM 4469 OH2 TIP3 988 -18.603 17.577 20.530 1.00 0.00 WAT1 ATOM 4470 H1 TIP3 988 -18.840 17.958 19.666 1.00 0.00 WAT1 ATOM 4471 H2 TIP3 988 -19.466 17.347 20.934 1.00 0.00 WAT1 ATOM 4472 OH2 TIP3 989 -6.130 18.928 23.102 1.00 0.00 WAT1 ATOM 4473 H1 TIP3 989 -5.995 18.965 22.133 1.00 0.00 WAT1 ATOM 4474 H2 TIP3 989 -6.289 19.859 23.352 1.00 0.00 WAT1 ATOM 4475 OH2 TIP3 990 -11.863 20.763 17.055 1.00 0.00 WAT1 ATOM 4476 H1 TIP3 990 -12.504 21.206 17.642 1.00 0.00 WAT1 ATOM 4477 H2 TIP3 990 -11.158 21.425 16.934 1.00 0.00 WAT1 ATOM 4478 OH2 TIP3 991 -13.202 17.761 23.503 1.00 0.00 WAT1 ATOM 4479 H1 TIP3 991 -12.477 18.432 23.455 1.00 0.00 WAT1 ATOM 4480 H2 TIP3 991 -13.842 18.150 24.109 1.00 0.00 WAT1 ATOM 4481 OH2 TIP3 992 -7.830 13.858 13.500 1.00 0.00 WAT1 ATOM 4482 H1 TIP3 992 -8.101 14.718 13.092 1.00 0.00 WAT1 ATOM 4483 H2 TIP3 992 -7.580 14.103 14.413 1.00 0.00 WAT1 ATOM 4484 OH2 TIP3 993 -8.547 16.307 12.636 1.00 0.00 WAT1 ATOM 4485 H1 TIP3 993 -8.678 16.690 11.755 1.00 0.00 WAT1 ATOM 4486 H2 TIP3 993 -8.233 17.061 13.177 1.00 0.00 WAT1 ATOM 4487 OH2 TIP3 994 -18.279 23.559 19.601 1.00 0.00 WAT1 ATOM 4488 H1 TIP3 994 -18.206 24.229 20.286 1.00 0.00 WAT1 ATOM 4489 H2 TIP3 994 -17.349 23.311 19.408 1.00 0.00 WAT1 ATOM 4490 OH2 TIP3 995 -10.893 24.333 13.310 1.00 0.00 WAT1 ATOM 4491 H1 TIP3 995 -10.602 24.862 14.081 1.00 0.00 WAT1 ATOM 4492 H2 TIP3 995 -11.671 24.815 12.974 1.00 0.00 WAT1 ATOM 4493 OH2 TIP3 996 -1.830 16.435 13.643 1.00 0.00 WAT1 ATOM 4494 H1 TIP3 996 -2.446 15.800 13.262 1.00 0.00 WAT1 ATOM 4495 H2 TIP3 996 -1.160 16.559 12.953 1.00 0.00 WAT1 ATOM 4496 OH2 TIP3 997 -6.752 26.217 15.196 1.00 0.00 WAT1 ATOM 4497 H1 TIP3 997 -7.384 26.359 15.932 1.00 0.00 WAT1 ATOM 4498 H2 TIP3 997 -6.338 27.075 15.070 1.00 0.00 WAT1 ATOM 4499 OH2 TIP3 998 -23.109 29.667 16.823 1.00 0.00 WAT1 ATOM 4500 H1 TIP3 998 -23.498 28.853 16.459 1.00 0.00 WAT1 ATOM 4501 H2 TIP3 998 -22.176 29.467 16.911 1.00 0.00 WAT1 ATOM 4502 OH2 TIP3 999 -13.348 25.718 13.489 1.00 0.00 WAT1 ATOM 4503 H1 TIP3 999 -14.115 26.175 13.073 1.00 0.00 WAT1 ATOM 4504 H2 TIP3 999 -12.928 26.412 14.033 1.00 0.00 WAT1 ATOM 4505 OH2 TIP3 1000 -4.815 19.104 14.326 1.00 0.00 WAT1 ATOM 4506 H1 TIP3 1000 -4.473 18.519 15.029 1.00 0.00 WAT1 ATOM 4507 H2 TIP3 1000 -4.956 19.964 14.774 1.00 0.00 WAT1 ATOM 4508 OH2 TIP3 1001 -11.325 15.765 23.515 1.00 0.00 WAT1 ATOM 4509 H1 TIP3 1001 -11.997 16.479 23.522 1.00 0.00 WAT1 ATOM 4510 H2 TIP3 1001 -10.496 16.222 23.338 1.00 0.00 WAT1 ATOM 4511 OH2 TIP3 1002 -12.364 27.861 15.086 1.00 0.00 WAT1 ATOM 4512 H1 TIP3 1002 -13.195 28.062 15.536 1.00 0.00 WAT1 ATOM 4513 H2 TIP3 1002 -12.091 28.722 14.691 1.00 0.00 WAT1 ATOM 4514 OH2 TIP3 1003 -13.501 28.540 10.663 1.00 0.00 WAT1 ATOM 4515 H1 TIP3 1003 -13.085 27.872 10.074 1.00 0.00 WAT1 ATOM 4516 H2 TIP3 1003 -14.046 28.015 11.272 1.00 0.00 WAT1 ATOM 4517 OH2 TIP3 1004 -4.806 16.782 24.273 1.00 0.00 WAT1 ATOM 4518 H1 TIP3 1004 -5.382 17.463 23.861 1.00 0.00 WAT1 ATOM 4519 H2 TIP3 1004 -4.532 17.188 25.122 1.00 0.00 WAT1 ATOM 4520 OH2 TIP3 1005 -6.980 22.009 20.064 1.00 0.00 WAT1 ATOM 4521 H1 TIP3 1005 -6.658 21.085 20.183 1.00 0.00 WAT1 ATOM 4522 H2 TIP3 1005 -6.270 22.554 20.433 1.00 0.00 WAT1 ATOM 4523 OH2 TIP3 1006 -18.079 11.986 16.620 1.00 0.00 WAT1 ATOM 4524 H1 TIP3 1006 -18.030 12.555 17.419 1.00 0.00 WAT1 ATOM 4525 H2 TIP3 1006 -17.168 12.016 16.247 1.00 0.00 WAT1 ATOM 4526 OH2 TIP3 1007 -17.128 26.428 14.737 1.00 0.00 WAT1 ATOM 4527 H1 TIP3 1007 -16.978 25.987 15.601 1.00 0.00 WAT1 ATOM 4528 H2 TIP3 1007 -18.098 26.432 14.639 1.00 0.00 WAT1 ATOM 4529 OH2 TIP3 1008 -12.152 13.354 24.406 1.00 0.00 WAT1 ATOM 4530 H1 TIP3 1008 -11.479 13.110 25.078 1.00 0.00 WAT1 ATOM 4531 H2 TIP3 1008 -11.884 14.260 24.118 1.00 0.00 WAT1 ATOM 4532 OH2 TIP3 1009 -14.823 12.886 23.904 1.00 0.00 WAT1 ATOM 4533 H1 TIP3 1009 -13.875 13.038 24.129 1.00 0.00 WAT1 ATOM 4534 H2 TIP3 1009 -15.092 13.706 23.451 1.00 0.00 WAT1 ATOM 4535 OH2 TIP3 1010 -10.142 12.619 26.244 1.00 0.00 WAT1 ATOM 4536 H1 TIP3 1010 -10.364 11.703 26.491 1.00 0.00 WAT1 ATOM 4537 H2 TIP3 1010 -9.189 12.698 26.451 1.00 0.00 WAT1 ATOM 4538 OH2 TIP3 1011 -10.691 9.916 26.596 1.00 0.00 WAT1 ATOM 4539 H1 TIP3 1011 -10.781 10.106 25.630 1.00 0.00 WAT1 ATOM 4540 H2 TIP3 1011 -10.340 8.999 26.620 1.00 0.00 WAT1 ATOM 4541 OH2 TIP3 1012 -13.260 31.167 10.263 1.00 0.00 WAT1 ATOM 4542 H1 TIP3 1012 -14.127 31.401 10.619 1.00 0.00 WAT1 ATOM 4543 H2 TIP3 1012 -13.226 30.179 10.349 1.00 0.00 WAT1 ATOM 4544 OH2 TIP3 1013 -7.166 23.560 14.784 1.00 0.00 WAT1 ATOM 4545 H1 TIP3 1013 -7.409 23.434 15.720 1.00 0.00 WAT1 ATOM 4546 H2 TIP3 1013 -6.962 24.523 14.718 1.00 0.00 WAT1 ATOM 4547 OH2 TIP3 1014 -5.279 21.675 15.418 1.00 0.00 WAT1 ATOM 4548 H1 TIP3 1014 -5.967 22.268 15.060 1.00 0.00 WAT1 ATOM 4549 H2 TIP3 1014 -4.448 22.016 15.027 1.00 0.00 WAT1 ATOM 4550 OH2 TIP3 1015 -5.088 15.732 13.557 1.00 0.00 WAT1 ATOM 4551 H1 TIP3 1015 -5.382 16.280 12.808 1.00 0.00 WAT1 ATOM 4552 H2 TIP3 1015 -4.668 14.953 13.129 1.00 0.00 WAT1 ATOM 4553 OH2 TIP3 1016 -20.500 22.300 18.721 1.00 0.00 WAT1 ATOM 4554 H1 TIP3 1016 -19.674 22.756 19.018 1.00 0.00 WAT1 ATOM 4555 H2 TIP3 1016 -20.857 21.913 19.528 1.00 0.00 WAT1 ATOM 4556 OH2 TIP3 1017 -3.744 13.792 12.153 1.00 0.00 WAT1 ATOM 4557 H1 TIP3 1017 -3.065 13.134 12.426 1.00 0.00 WAT1 ATOM 4558 H2 TIP3 1017 -3.435 14.103 11.275 1.00 0.00 WAT1 ATOM 4559 OH2 TIP3 1018 -9.034 16.566 17.135 1.00 0.00 WAT1 ATOM 4560 H1 TIP3 1018 -9.447 15.724 17.352 1.00 0.00 WAT1 ATOM 4561 H2 TIP3 1018 -8.313 16.325 16.518 1.00 0.00 WAT1 ATOM 4562 OH2 TIP3 1019 -6.593 24.550 22.350 1.00 0.00 WAT1 ATOM 4563 H1 TIP3 1019 -6.233 25.439 22.402 1.00 0.00 WAT1 ATOM 4564 H2 TIP3 1019 -5.951 24.000 22.861 1.00 0.00 WAT1 ATOM 4565 OH2 TIP3 1020 -7.208 21.411 23.703 1.00 0.00 WAT1 ATOM 4566 H1 TIP3 1020 -7.788 20.808 24.213 1.00 0.00 WAT1 ATOM 4567 H2 TIP3 1020 -7.829 21.944 23.173 1.00 0.00 WAT1 ATOM 4568 OH2 TIP3 1021 -4.686 12.973 27.454 1.00 0.00 WAT1 ATOM 4569 H1 TIP3 1021 -4.189 12.346 26.892 1.00 0.00 WAT1 ATOM 4570 H2 TIP3 1021 -4.290 13.839 27.243 1.00 0.00 WAT1 ATOM 4571 OH2 TIP3 1022 -3.756 16.861 15.672 1.00 0.00 WAT1 ATOM 4572 H1 TIP3 1022 -4.277 16.466 14.942 1.00 0.00 WAT1 ATOM 4573 H2 TIP3 1022 -2.840 16.865 15.331 1.00 0.00 WAT1 ATOM 4574 OH2 TIP3 1023 -17.041 15.346 20.852 1.00 0.00 WAT1 ATOM 4575 H1 TIP3 1023 -17.396 16.264 20.782 1.00 0.00 WAT1 ATOM 4576 H2 TIP3 1023 -16.263 15.433 21.441 1.00 0.00 WAT1 ATOM 4577 OH2 TIP3 1024 -20.017 20.525 16.661 1.00 0.00 WAT1 ATOM 4578 H1 TIP3 1024 -20.201 21.238 17.312 1.00 0.00 WAT1 ATOM 4579 H2 TIP3 1024 -19.913 19.721 17.211 1.00 0.00 WAT1 ATOM 4580 OH2 TIP3 1025 -5.310 12.093 30.072 1.00 0.00 WAT1 ATOM 4581 H1 TIP3 1025 -6.278 12.147 29.935 1.00 0.00 WAT1 ATOM 4582 H2 TIP3 1025 -4.933 12.324 29.200 1.00 0.00 WAT1 ATOM 4583 OH2 TIP3 1026 -6.770 15.344 15.761 1.00 0.00 WAT1 ATOM 4584 H1 TIP3 1026 -6.179 15.554 15.008 1.00 0.00 WAT1 ATOM 4585 H2 TIP3 1026 -6.161 15.135 16.491 1.00 0.00 WAT1 ATOM 4586 OH2 TIP3 1027 -8.560 26.646 17.214 1.00 0.00 WAT1 ATOM 4587 H1 TIP3 1027 -8.911 27.558 17.043 1.00 0.00 WAT1 ATOM 4588 H2 TIP3 1027 -8.357 26.643 18.157 1.00 0.00 WAT1 ATOM 4589 OH2 TIP3 1028 -15.690 11.830 15.383 1.00 0.00 WAT1 ATOM 4590 H1 TIP3 1028 -15.832 11.579 14.444 1.00 0.00 WAT1 ATOM 4591 H2 TIP3 1028 -15.186 12.677 15.329 1.00 0.00 WAT1 ATOM 4592 OH2 TIP3 1029 -19.245 13.020 14.332 1.00 0.00 WAT1 ATOM 4593 H1 TIP3 1029 -18.846 12.580 15.113 1.00 0.00 WAT1 ATOM 4594 H2 TIP3 1029 -20.212 12.903 14.463 1.00 0.00 WAT1 ATOM 4595 OH2 TIP3 1030 -19.518 27.895 9.369 1.00 0.00 WAT1 ATOM 4596 H1 TIP3 1030 -19.869 27.417 10.138 1.00 0.00 WAT1 ATOM 4597 H2 TIP3 1030 -19.937 27.462 8.599 1.00 0.00 WAT1 ATOM 4598 OH2 TIP3 1031 -3.938 33.395 17.549 1.00 0.00 WAT1 ATOM 4599 H1 TIP3 1031 -3.033 33.129 17.279 1.00 0.00 WAT1 ATOM 4600 H2 TIP3 1031 -3.798 34.014 18.269 1.00 0.00 WAT1 ATOM 4601 OH2 TIP3 1032 -18.185 35.255 11.201 1.00 0.00 WAT1 ATOM 4602 H1 TIP3 1032 -18.494 34.467 10.737 1.00 0.00 WAT1 ATOM 4603 H2 TIP3 1032 -18.995 35.814 11.289 1.00 0.00 WAT1 ATOM 4604 OH2 TIP3 1033 -7.501 12.957 27.237 1.00 0.00 WAT1 ATOM 4605 H1 TIP3 1033 -7.714 12.688 28.158 1.00 0.00 WAT1 ATOM 4606 H2 TIP3 1033 -6.522 12.996 27.223 1.00 0.00 WAT1 ATOM 4607 OH2 TIP3 1034 -5.506 9.991 31.886 1.00 0.00 WAT1 ATOM 4608 H1 TIP3 1034 -5.622 10.579 32.648 1.00 0.00 WAT1 ATOM 4609 H2 TIP3 1034 -5.299 10.598 31.149 1.00 0.00 WAT1 ATOM 4610 OH2 TIP3 1035 -8.051 12.178 29.793 1.00 0.00 WAT1 ATOM 4611 H1 TIP3 1035 -8.602 11.373 29.659 1.00 0.00 WAT1 ATOM 4612 H2 TIP3 1035 -8.387 12.560 30.613 1.00 0.00 WAT1 ATOM 4613 OH2 TIP3 1036 -5.493 12.769 32.707 1.00 0.00 WAT1 ATOM 4614 H1 TIP3 1036 -4.812 13.383 32.990 1.00 0.00 WAT1 ATOM 4615 H2 TIP3 1036 -5.323 12.643 31.751 1.00 0.00 WAT1 ATOM 4616 OH2 TIP3 1037 -20.630 44.611 -25.825 1.00 0.00 WAT1 ATOM 4617 H1 TIP3 1037 -20.905 44.728 -26.761 1.00 0.00 WAT1 ATOM 4618 H2 TIP3 1037 -20.973 43.719 -25.584 1.00 0.00 WAT1 ATOM 4619 OH2 TIP3 1038 -21.428 45.398 -28.328 1.00 0.00 WAT1 ATOM 4620 H1 TIP3 1038 -21.404 44.839 -29.111 1.00 0.00 WAT1 ATOM 4621 H2 TIP3 1038 -22.363 45.688 -28.268 1.00 0.00 WAT1 ATOM 4622 OH2 TIP3 1039 -12.028 36.891 -14.243 1.00 0.00 WAT1 ATOM 4623 H1 TIP3 1039 -12.329 35.981 -14.046 1.00 0.00 WAT1 ATOM 4624 H2 TIP3 1039 -11.278 36.762 -14.856 1.00 0.00 WAT1 ATOM 4625 OH2 TIP3 1040 -23.283 40.533 -18.405 1.00 0.00 WAT1 ATOM 4626 H1 TIP3 1040 -22.800 39.928 -17.834 1.00 0.00 WAT1 ATOM 4627 H2 TIP3 1040 -23.176 40.152 -19.307 1.00 0.00 WAT1 ATOM 4628 OH2 TIP3 1041 -20.132 41.899 -16.864 1.00 0.00 WAT1 ATOM 4629 H1 TIP3 1041 -20.612 42.589 -17.371 1.00 0.00 WAT1 ATOM 4630 H2 TIP3 1041 -19.933 41.215 -17.533 1.00 0.00 WAT1 ATOM 4631 OH2 TIP3 1042 -13.951 38.920 -14.564 1.00 0.00 WAT1 ATOM 4632 H1 TIP3 1042 -13.266 38.225 -14.623 1.00 0.00 WAT1 ATOM 4633 H2 TIP3 1042 -14.723 38.540 -15.040 1.00 0.00 WAT1 ATOM 4634 OH2 TIP3 1043 -8.235 35.032 -8.997 1.00 0.00 WAT1 ATOM 4635 H1 TIP3 1043 -7.569 35.509 -8.465 1.00 0.00 WAT1 ATOM 4636 H2 TIP3 1043 -7.707 34.466 -9.584 1.00 0.00 WAT1 ATOM 4637 OH2 TIP3 1044 -9.681 33.021 -14.959 1.00 0.00 WAT1 ATOM 4638 H1 TIP3 1044 -9.115 32.270 -14.726 1.00 0.00 WAT1 ATOM 4639 H2 TIP3 1044 -10.577 32.632 -15.041 1.00 0.00 WAT1 ATOM 4640 OH2 TIP3 1045 -19.197 37.963 -18.300 1.00 0.00 WAT1 ATOM 4641 H1 TIP3 1045 -19.120 38.042 -17.325 1.00 0.00 WAT1 ATOM 4642 H2 TIP3 1045 -19.681 38.768 -18.570 1.00 0.00 WAT1 ATOM 4643 OH2 TIP3 1046 -19.989 40.225 -14.659 1.00 0.00 WAT1 ATOM 4644 H1 TIP3 1046 -20.158 40.891 -15.361 1.00 0.00 WAT1 ATOM 4645 H2 TIP3 1046 -20.398 40.615 -13.856 1.00 0.00 WAT1 ATOM 4646 OH2 TIP3 1047 -16.134 37.950 -15.926 1.00 0.00 WAT1 ATOM 4647 H1 TIP3 1047 -17.095 37.970 -15.736 1.00 0.00 WAT1 ATOM 4648 H2 TIP3 1047 -16.087 37.944 -16.911 1.00 0.00 WAT1 ATOM 4649 OH2 TIP3 1048 -6.284 35.799 -7.135 1.00 0.00 WAT1 ATOM 4650 H1 TIP3 1048 -5.548 36.449 -7.089 1.00 0.00 WAT1 ATOM 4651 H2 TIP3 1048 -5.872 34.958 -6.858 1.00 0.00 WAT1 ATOM 4652 OH2 TIP3 1049 -13.038 38.022 -11.913 1.00 0.00 WAT1 ATOM 4653 H1 TIP3 1049 -12.529 37.684 -12.682 1.00 0.00 WAT1 ATOM 4654 H2 TIP3 1049 -13.427 38.850 -12.234 1.00 0.00 WAT1 ATOM 4655 OH2 TIP3 1050 -16.858 41.115 -9.202 1.00 0.00 WAT1 ATOM 4656 H1 TIP3 1050 -17.302 41.780 -9.768 1.00 0.00 WAT1 ATOM 4657 H2 TIP3 1050 -16.133 41.605 -8.778 1.00 0.00 WAT1 ATOM 4658 OH2 TIP3 1051 -23.969 44.672 -23.498 1.00 0.00 WAT1 ATOM 4659 H1 TIP3 1051 -23.891 44.180 -24.329 1.00 0.00 WAT1 ATOM 4660 H2 TIP3 1051 -23.085 45.086 -23.382 1.00 0.00 WAT1 ATOM 4661 OH2 TIP3 1052 -8.655 30.196 -12.594 1.00 0.00 WAT1 ATOM 4662 H1 TIP3 1052 -8.012 30.068 -11.881 1.00 0.00 WAT1 ATOM 4663 H2 TIP3 1052 -9.430 30.575 -12.150 1.00 0.00 WAT1 ATOM 4664 OH2 TIP3 1053 -13.084 34.387 -13.803 1.00 0.00 WAT1 ATOM 4665 H1 TIP3 1053 -12.808 33.662 -14.399 1.00 0.00 WAT1 ATOM 4666 H2 TIP3 1053 -13.875 34.784 -14.256 1.00 0.00 WAT1 ATOM 4667 OH2 TIP3 1054 -12.337 37.607 -9.225 1.00 0.00 WAT1 ATOM 4668 H1 TIP3 1054 -11.845 36.756 -9.261 1.00 0.00 WAT1 ATOM 4669 H2 TIP3 1054 -12.514 37.819 -10.166 1.00 0.00 WAT1 ATOM 4670 OH2 TIP3 1055 -17.867 43.368 -16.179 1.00 0.00 WAT1 ATOM 4671 H1 TIP3 1055 -17.653 43.378 -15.223 1.00 0.00 WAT1 ATOM 4672 H2 TIP3 1055 -18.586 42.717 -16.259 1.00 0.00 WAT1 ATOM 4673 OH2 TIP3 1056 -14.558 43.589 -12.571 1.00 0.00 WAT1 ATOM 4674 H1 TIP3 1056 -14.480 42.780 -13.135 1.00 0.00 WAT1 ATOM 4675 H2 TIP3 1056 -13.998 44.236 -13.011 1.00 0.00 WAT1 ATOM 4676 OH2 TIP3 1057 -18.142 42.318 -11.385 1.00 0.00 WAT1 ATOM 4677 H1 TIP3 1057 -17.875 41.459 -11.763 1.00 0.00 WAT1 ATOM 4678 H2 TIP3 1057 -17.919 42.967 -12.088 1.00 0.00 WAT1 ATOM 4679 OH2 TIP3 1058 -16.473 38.819 -10.581 1.00 0.00 WAT1 ATOM 4680 H1 TIP3 1058 -16.501 39.592 -9.971 1.00 0.00 WAT1 ATOM 4681 H2 TIP3 1058 -17.015 39.108 -11.348 1.00 0.00 WAT1 ATOM 4682 OH2 TIP3 1059 -12.219 47.345 -7.721 1.00 0.00 WAT1 ATOM 4683 H1 TIP3 1059 -11.293 47.258 -7.446 1.00 0.00 WAT1 ATOM 4684 H2 TIP3 1059 -12.449 48.255 -7.491 1.00 0.00 WAT1 ATOM 4685 OH2 TIP3 1060 -20.148 40.488 -19.198 1.00 0.00 WAT1 ATOM 4686 H1 TIP3 1060 -20.853 41.160 -19.279 1.00 0.00 WAT1 ATOM 4687 H2 TIP3 1060 -19.649 40.573 -20.018 1.00 0.00 WAT1 ATOM 4688 OH2 TIP3 1061 -13.443 37.904 -4.039 1.00 0.00 WAT1 ATOM 4689 H1 TIP3 1061 -12.710 38.514 -3.847 1.00 0.00 WAT1 ATOM 4690 H2 TIP3 1061 -13.927 37.832 -3.191 1.00 0.00 WAT1 ATOM 4691 OH2 TIP3 1062 -18.466 32.120 -13.879 1.00 0.00 WAT1 ATOM 4692 H1 TIP3 1062 -18.934 31.705 -13.125 1.00 0.00 WAT1 ATOM 4693 H2 TIP3 1062 -18.206 31.376 -14.432 1.00 0.00 WAT1 ATOM 4694 OH2 TIP3 1063 -11.026 35.173 -9.306 1.00 0.00 WAT1 ATOM 4695 H1 TIP3 1063 -10.057 35.308 -9.267 1.00 0.00 WAT1 ATOM 4696 H2 TIP3 1063 -11.150 34.263 -8.984 1.00 0.00 WAT1 ATOM 4697 OH2 TIP3 1064 -11.916 34.212 -17.616 1.00 0.00 WAT1 ATOM 4698 H1 TIP3 1064 -11.125 33.778 -18.008 1.00 0.00 WAT1 ATOM 4699 H2 TIP3 1064 -11.545 34.957 -17.105 1.00 0.00 WAT1 ATOM 4700 OH2 TIP3 1065 -20.178 35.249 -18.106 1.00 0.00 WAT1 ATOM 4701 H1 TIP3 1065 -19.909 34.921 -17.225 1.00 0.00 WAT1 ATOM 4702 H2 TIP3 1065 -19.803 36.146 -18.154 1.00 0.00 WAT1 ATOM 4703 OH2 TIP3 1066 -24.130 33.633 -25.717 1.00 0.00 WAT1 ATOM 4704 H1 TIP3 1066 -24.401 32.898 -26.276 1.00 0.00 WAT1 ATOM 4705 H2 TIP3 1066 -24.609 34.411 -26.093 1.00 0.00 WAT1 ATOM 4706 OH2 TIP3 1067 -10.152 35.598 -15.904 1.00 0.00 WAT1 ATOM 4707 H1 TIP3 1067 -9.423 35.727 -16.526 1.00 0.00 WAT1 ATOM 4708 H2 TIP3 1067 -9.907 34.786 -15.411 1.00 0.00 WAT1 ATOM 4709 OH2 TIP3 1068 -16.476 37.811 -18.627 1.00 0.00 WAT1 ATOM 4710 H1 TIP3 1068 -16.236 37.895 -19.553 1.00 0.00 WAT1 ATOM 4711 H2 TIP3 1068 -17.454 37.735 -18.636 1.00 0.00 WAT1 ATOM 4712 OH2 TIP3 1069 -18.889 37.924 -15.569 1.00 0.00 WAT1 ATOM 4713 H1 TIP3 1069 -19.271 37.187 -15.068 1.00 0.00 WAT1 ATOM 4714 H2 TIP3 1069 -19.341 38.723 -15.207 1.00 0.00 WAT1 ATOM 4715 OH2 TIP3 1070 -12.336 32.410 -15.573 1.00 0.00 WAT1 ATOM 4716 H1 TIP3 1070 -12.227 32.995 -16.358 1.00 0.00 WAT1 ATOM 4717 H2 TIP3 1070 -13.026 31.787 -15.838 1.00 0.00 WAT1 ATOM 4718 OH2 TIP3 1071 -14.621 34.060 -17.332 1.00 0.00 WAT1 ATOM 4719 H1 TIP3 1071 -13.675 34.190 -17.565 1.00 0.00 WAT1 ATOM 4720 H2 TIP3 1071 -15.055 33.912 -18.178 1.00 0.00 WAT1 ATOM 4721 OH2 TIP3 1072 -12.738 45.982 -10.072 1.00 0.00 WAT1 ATOM 4722 H1 TIP3 1072 -12.600 46.416 -9.207 1.00 0.00 WAT1 ATOM 4723 H2 TIP3 1072 -12.694 46.701 -10.707 1.00 0.00 WAT1 ATOM 4724 OH2 TIP3 1073 -14.498 41.586 -14.359 1.00 0.00 WAT1 ATOM 4725 H1 TIP3 1073 -14.188 40.652 -14.361 1.00 0.00 WAT1 ATOM 4726 H2 TIP3 1073 -15.102 41.634 -15.107 1.00 0.00 WAT1 ATOM 4727 OH2 TIP3 1074 -17.211 46.775 -16.981 1.00 0.00 WAT1 ATOM 4728 H1 TIP3 1074 -16.543 46.164 -17.314 1.00 0.00 WAT1 ATOM 4729 H2 TIP3 1074 -17.967 46.657 -17.592 1.00 0.00 WAT1 ATOM 4730 OH2 TIP3 1075 -17.551 48.949 -24.097 1.00 0.00 WAT1 ATOM 4731 H1 TIP3 1075 -17.030 48.147 -23.973 1.00 0.00 WAT1 ATOM 4732 H2 TIP3 1075 -18.269 48.676 -24.693 1.00 0.00 WAT1 ATOM 4733 OH2 TIP3 1076 -21.105 51.082 -24.670 1.00 0.00 WAT1 ATOM 4734 H1 TIP3 1076 -20.414 51.582 -25.160 1.00 0.00 WAT1 ATOM 4735 H2 TIP3 1076 -21.832 51.728 -24.567 1.00 0.00 WAT1 ATOM 4736 OH2 TIP3 1077 -21.375 43.250 -19.020 1.00 0.00 WAT1 ATOM 4737 H1 TIP3 1077 -21.179 44.065 -19.518 1.00 0.00 WAT1 ATOM 4738 H2 TIP3 1077 -22.351 43.190 -19.043 1.00 0.00 WAT1 ATOM 4739 OH2 TIP3 1078 -17.062 51.584 -24.868 1.00 0.00 WAT1 ATOM 4740 H1 TIP3 1078 -17.210 50.648 -24.624 1.00 0.00 WAT1 ATOM 4741 H2 TIP3 1078 -16.361 51.874 -24.275 1.00 0.00 WAT1 ATOM 4742 OH2 TIP3 1079 -6.595 32.038 -8.113 1.00 0.00 WAT1 ATOM 4743 H1 TIP3 1079 -6.434 32.645 -8.868 1.00 0.00 WAT1 ATOM 4744 H2 TIP3 1079 -5.950 32.328 -7.433 1.00 0.00 WAT1 ATOM 4745 OH2 TIP3 1080 -21.291 45.710 -20.669 1.00 0.00 WAT1 ATOM 4746 H1 TIP3 1080 -21.864 46.491 -20.610 1.00 0.00 WAT1 ATOM 4747 H2 TIP3 1080 -21.223 45.539 -21.633 1.00 0.00 WAT1 ATOM 4748 OH2 TIP3 1081 -19.841 33.920 -15.643 1.00 0.00 WAT1 ATOM 4749 H1 TIP3 1081 -20.357 33.136 -15.943 1.00 0.00 WAT1 ATOM 4750 H2 TIP3 1081 -19.231 33.557 -14.970 1.00 0.00 WAT1 ATOM 4751 OH2 TIP3 1082 -21.556 49.350 -12.206 1.00 0.00 WAT1 ATOM 4752 H1 TIP3 1082 -21.759 50.238 -11.831 1.00 0.00 WAT1 ATOM 4753 H2 TIP3 1082 -21.639 48.744 -11.439 1.00 0.00 WAT1 ATOM 4754 OH2 TIP3 1083 -16.403 46.284 -6.560 1.00 0.00 WAT1 ATOM 4755 H1 TIP3 1083 -16.888 46.112 -5.746 1.00 0.00 WAT1 ATOM 4756 H2 TIP3 1083 -15.468 46.164 -6.311 1.00 0.00 WAT1 ATOM 4757 OH2 TIP3 1084 -13.904 43.495 -9.902 1.00 0.00 WAT1 ATOM 4758 H1 TIP3 1084 -13.461 44.370 -9.913 1.00 0.00 WAT1 ATOM 4759 H2 TIP3 1084 -14.241 43.389 -10.819 1.00 0.00 WAT1 ATOM 4760 OH2 TIP3 1085 -10.908 39.290 -4.138 1.00 0.00 WAT1 ATOM 4761 H1 TIP3 1085 -10.722 40.180 -3.785 1.00 0.00 WAT1 ATOM 4762 H2 TIP3 1085 -10.488 39.295 -5.023 1.00 0.00 WAT1 ATOM 4763 OH2 TIP3 1086 -11.502 40.819 -7.534 1.00 0.00 WAT1 ATOM 4764 H1 TIP3 1086 -11.551 41.543 -6.871 1.00 0.00 WAT1 ATOM 4765 H2 TIP3 1086 -11.701 41.254 -8.373 1.00 0.00 WAT1 ATOM 4766 OH2 TIP3 1087 -18.143 39.785 -12.474 1.00 0.00 WAT1 ATOM 4767 H1 TIP3 1087 -18.092 39.641 -13.430 1.00 0.00 WAT1 ATOM 4768 H2 TIP3 1087 -19.086 39.989 -12.316 1.00 0.00 WAT1 ATOM 4769 OH2 TIP3 1088 -7.479 40.410 -7.857 1.00 0.00 WAT1 ATOM 4770 H1 TIP3 1088 -6.560 40.265 -8.113 1.00 0.00 WAT1 ATOM 4771 H2 TIP3 1088 -7.601 41.379 -7.943 1.00 0.00 WAT1 ATOM 4772 OH2 TIP3 1089 -21.848 42.287 -25.044 1.00 0.00 WAT1 ATOM 4773 H1 TIP3 1089 -21.755 41.751 -24.247 1.00 0.00 WAT1 ATOM 4774 H2 TIP3 1089 -22.718 42.023 -25.408 1.00 0.00 WAT1 ATOM 4775 OH2 TIP3 1090 -4.858 42.055 -8.188 1.00 0.00 WAT1 ATOM 4776 H1 TIP3 1090 -4.412 42.856 -8.517 1.00 0.00 WAT1 ATOM 4777 H2 TIP3 1090 -5.788 42.332 -8.078 1.00 0.00 WAT1 ATOM 4778 OH2 TIP3 1091 -4.003 37.344 -6.667 1.00 0.00 WAT1 ATOM 4779 H1 TIP3 1091 -3.076 37.148 -6.907 1.00 0.00 WAT1 ATOM 4780 H2 TIP3 1091 -4.039 38.324 -6.636 1.00 0.00 WAT1 ATOM 4781 OH2 TIP3 1092 -1.308 36.835 -6.971 1.00 0.00 WAT1 ATOM 4782 H1 TIP3 1092 -1.473 35.880 -6.814 1.00 0.00 WAT1 ATOM 4783 H2 TIP3 1092 -0.580 36.848 -7.604 1.00 0.00 WAT1 ATOM 4784 OH2 TIP3 1093 -9.543 39.223 -6.543 1.00 0.00 WAT1 ATOM 4785 H1 TIP3 1093 -8.723 39.551 -6.984 1.00 0.00 WAT1 ATOM 4786 H2 TIP3 1093 -10.268 39.679 -7.027 1.00 0.00 WAT1 ATOM 4787 OH2 TIP3 1094 -22.485 34.574 -14.773 1.00 0.00 WAT1 ATOM 4788 H1 TIP3 1094 -21.617 34.504 -15.211 1.00 0.00 WAT1 ATOM 4789 H2 TIP3 1094 -22.281 34.980 -13.910 1.00 0.00 WAT1 ATOM 4790 OH2 TIP3 1095 -20.598 41.226 -12.126 1.00 0.00 WAT1 ATOM 4791 H1 TIP3 1095 -19.910 41.816 -11.751 1.00 0.00 WAT1 ATOM 4792 H2 TIP3 1095 -21.368 41.359 -11.542 1.00 0.00 WAT1 ATOM 4793 OH2 TIP3 1096 -21.944 34.093 -19.754 1.00 0.00 WAT1 ATOM 4794 H1 TIP3 1096 -22.018 33.177 -19.418 1.00 0.00 WAT1 ATOM 4795 H2 TIP3 1096 -21.235 34.498 -19.196 1.00 0.00 WAT1 ATOM 4796 OH2 TIP3 1097 -17.177 43.680 -13.515 1.00 0.00 WAT1 ATOM 4797 H1 TIP3 1097 -17.321 44.637 -13.722 1.00 0.00 WAT1 ATOM 4798 H2 TIP3 1097 -16.283 43.655 -13.119 1.00 0.00 WAT1 ATOM 4799 OH2 TIP3 1098 -19.392 47.865 -13.283 1.00 0.00 WAT1 ATOM 4800 H1 TIP3 1098 -20.065 48.541 -13.091 1.00 0.00 WAT1 ATOM 4801 H2 TIP3 1098 -19.423 47.270 -12.501 1.00 0.00 WAT1 ATOM 4802 OH2 TIP3 1099 -17.436 46.238 -14.292 1.00 0.00 WAT1 ATOM 4803 H1 TIP3 1099 -18.125 46.859 -13.967 1.00 0.00 WAT1 ATOM 4804 H2 TIP3 1099 -17.335 46.468 -15.236 1.00 0.00 WAT1 ATOM 4805 OH2 TIP3 1100 -19.219 46.382 -18.929 1.00 0.00 WAT1 ATOM 4806 H1 TIP3 1100 -19.829 46.102 -19.641 1.00 0.00 WAT1 ATOM 4807 H2 TIP3 1100 -19.654 46.058 -18.102 1.00 0.00 WAT1 ATOM 4808 OH2 TIP3 1101 -15.136 35.516 -15.076 1.00 0.00 WAT1 ATOM 4809 H1 TIP3 1101 -15.530 36.379 -15.316 1.00 0.00 WAT1 ATOM 4810 H2 TIP3 1101 -15.140 35.008 -15.918 1.00 0.00 WAT1 ATOM 4811 OH2 TIP3 1102 -21.332 31.773 -16.420 1.00 0.00 WAT1 ATOM 4812 H1 TIP3 1102 -21.006 30.876 -16.190 1.00 0.00 WAT1 ATOM 4813 H2 TIP3 1102 -21.569 31.703 -17.368 1.00 0.00 WAT1 ATOM 4814 OH2 TIP3 1103 -23.133 35.427 -21.787 1.00 0.00 WAT1 ATOM 4815 H1 TIP3 1103 -22.856 35.254 -22.711 1.00 0.00 WAT1 ATOM 4816 H2 TIP3 1103 -22.503 34.899 -21.245 1.00 0.00 WAT1 ATOM 4817 OH2 TIP3 1104 -21.429 45.730 -23.445 1.00 0.00 WAT1 ATOM 4818 H1 TIP3 1104 -21.353 46.676 -23.699 1.00 0.00 WAT1 ATOM 4819 H2 TIP3 1104 -21.064 45.246 -24.218 1.00 0.00 WAT1 ATOM 4820 OH2 TIP3 1105 -18.164 44.048 -1.876 1.00 0.00 WAT1 ATOM 4821 H1 TIP3 1105 -17.535 44.142 -1.125 1.00 0.00 WAT1 ATOM 4822 H2 TIP3 1105 -18.374 44.976 -2.135 1.00 0.00 WAT1 ATOM 4823 OH2 TIP3 1106 -7.778 45.165 -1.410 1.00 0.00 WAT1 ATOM 4824 H1 TIP3 1106 -7.701 46.060 -1.813 1.00 0.00 WAT1 ATOM 4825 H2 TIP3 1106 -7.521 45.307 -0.469 1.00 0.00 WAT1 ATOM 4826 OH2 TIP3 1107 -15.095 43.212 4.134 1.00 0.00 WAT1 ATOM 4827 H1 TIP3 1107 -14.676 43.505 3.293 1.00 0.00 WAT1 ATOM 4828 H2 TIP3 1107 -14.865 43.904 4.764 1.00 0.00 WAT1 ATOM 4829 OH2 TIP3 1108 -7.009 45.663 1.136 1.00 0.00 WAT1 ATOM 4830 H1 TIP3 1108 -6.597 44.888 1.582 1.00 0.00 WAT1 ATOM 4831 H2 TIP3 1108 -6.316 46.355 1.173 1.00 0.00 WAT1 ATOM 4832 OH2 TIP3 1109 -6.627 42.663 -1.440 1.00 0.00 WAT1 ATOM 4833 H1 TIP3 1109 -6.996 43.569 -1.470 1.00 0.00 WAT1 ATOM 4834 H2 TIP3 1109 -5.657 42.795 -1.543 1.00 0.00 WAT1 ATOM 4835 OH2 TIP3 1110 -10.177 44.418 -2.379 1.00 0.00 WAT1 ATOM 4836 H1 TIP3 1110 -9.231 44.617 -2.161 1.00 0.00 WAT1 ATOM 4837 H2 TIP3 1110 -10.671 44.806 -1.646 1.00 0.00 WAT1 ATOM 4838 OH2 TIP3 1111 -13.994 42.249 -0.117 1.00 0.00 WAT1 ATOM 4839 H1 TIP3 1111 -13.631 41.912 -0.965 1.00 0.00 WAT1 ATOM 4840 H2 TIP3 1111 -14.101 41.441 0.433 1.00 0.00 WAT1 ATOM 4841 OH2 TIP3 1112 -8.630 46.588 4.869 1.00 0.00 WAT1 ATOM 4842 H1 TIP3 1112 -8.509 45.773 5.394 1.00 0.00 WAT1 ATOM 4843 H2 TIP3 1112 -8.611 47.298 5.529 1.00 0.00 WAT1 ATOM 4844 OH2 TIP3 1113 -16.348 41.608 6.081 1.00 0.00 WAT1 ATOM 4845 H1 TIP3 1113 -17.302 41.773 6.275 1.00 0.00 WAT1 ATOM 4846 H2 TIP3 1113 -16.157 42.180 5.312 1.00 0.00 WAT1 ATOM 4847 OH2 TIP3 1114 -7.469 49.410 -0.148 1.00 0.00 WAT1 ATOM 4848 H1 TIP3 1114 -7.423 50.367 -0.226 1.00 0.00 WAT1 ATOM 4849 H2 TIP3 1114 -8.364 49.242 0.239 1.00 0.00 WAT1 ATOM 4850 OH2 TIP3 1115 -4.024 44.698 -8.721 1.00 0.00 WAT1 ATOM 4851 H1 TIP3 1115 -3.555 45.075 -9.472 1.00 0.00 WAT1 ATOM 4852 H2 TIP3 1115 -3.312 44.474 -8.074 1.00 0.00 WAT1 ATOM 4853 OH2 TIP3 1116 -20.367 40.251 3.067 1.00 0.00 WAT1 ATOM 4854 H1 TIP3 1116 -19.875 39.850 2.316 1.00 0.00 WAT1 ATOM 4855 H2 TIP3 1116 -19.892 39.917 3.867 1.00 0.00 WAT1 ATOM 4856 OH2 TIP3 1117 -20.390 42.384 1.283 1.00 0.00 WAT1 ATOM 4857 H1 TIP3 1117 -19.543 42.211 0.856 1.00 0.00 WAT1 ATOM 4858 H2 TIP3 1117 -20.493 41.646 1.915 1.00 0.00 WAT1 ATOM 4859 OH2 TIP3 1118 -7.597 47.476 7.384 1.00 0.00 WAT1 ATOM 4860 H1 TIP3 1118 -7.796 47.680 8.302 1.00 0.00 WAT1 ATOM 4861 H2 TIP3 1118 -7.655 46.497 7.334 1.00 0.00 WAT1 ATOM 4862 OH2 TIP3 1119 -7.713 44.768 6.773 1.00 0.00 WAT1 ATOM 4863 H1 TIP3 1119 -7.185 44.316 7.466 1.00 0.00 WAT1 ATOM 4864 H2 TIP3 1119 -7.646 44.163 5.994 1.00 0.00 WAT1 ATOM 4865 OH2 TIP3 1120 -9.094 47.206 -4.759 1.00 0.00 WAT1 ATOM 4866 H1 TIP3 1120 -8.253 47.236 -5.234 1.00 0.00 WAT1 ATOM 4867 H2 TIP3 1120 -8.850 47.428 -3.835 1.00 0.00 WAT1 ATOM 4868 OH2 TIP3 1121 -7.757 47.693 -2.390 1.00 0.00 WAT1 ATOM 4869 H1 TIP3 1121 -7.005 47.826 -3.011 1.00 0.00 WAT1 ATOM 4870 H2 TIP3 1121 -7.593 48.340 -1.672 1.00 0.00 WAT1 ATOM 4871 OH2 TIP3 1122 -9.373 38.842 7.948 1.00 0.00 WAT1 ATOM 4872 H1 TIP3 1122 -9.649 39.152 7.077 1.00 0.00 WAT1 ATOM 4873 H2 TIP3 1122 -8.395 38.989 7.958 1.00 0.00 WAT1 ATOM 4874 OH2 TIP3 1123 -19.062 39.319 5.237 1.00 0.00 WAT1 ATOM 4875 H1 TIP3 1123 -18.206 38.895 5.468 1.00 0.00 WAT1 ATOM 4876 H2 TIP3 1123 -19.105 40.103 5.828 1.00 0.00 WAT1 ATOM 4877 OH2 TIP3 1124 -21.751 31.394 1.493 1.00 0.00 WAT1 ATOM 4878 H1 TIP3 1124 -21.616 31.848 2.353 1.00 0.00 WAT1 ATOM 4879 H2 TIP3 1124 -21.000 30.767 1.438 1.00 0.00 WAT1 ATOM 4880 OH2 TIP3 1125 -19.011 41.645 6.681 1.00 0.00 WAT1 ATOM 4881 H1 TIP3 1125 -19.519 41.330 7.466 1.00 0.00 WAT1 ATOM 4882 H2 TIP3 1125 -19.689 42.094 6.125 1.00 0.00 WAT1 ATOM 4883 OH2 TIP3 1126 -13.579 40.690 -4.963 1.00 0.00 WAT1 ATOM 4884 H1 TIP3 1126 -13.456 40.682 -3.997 1.00 0.00 WAT1 ATOM 4885 H2 TIP3 1126 -14.022 41.539 -5.141 1.00 0.00 WAT1 ATOM 4886 OH2 TIP3 1127 -12.992 39.499 6.190 1.00 0.00 WAT1 ATOM 4887 H1 TIP3 1127 -13.180 39.935 5.328 1.00 0.00 WAT1 ATOM 4888 H2 TIP3 1127 -13.291 40.144 6.852 1.00 0.00 WAT1 ATOM 4889 OH2 TIP3 1128 -10.542 41.942 -3.483 1.00 0.00 WAT1 ATOM 4890 H1 TIP3 1128 -10.887 42.173 -4.375 1.00 0.00 WAT1 ATOM 4891 H2 TIP3 1128 -10.325 42.813 -3.080 1.00 0.00 WAT1 ATOM 4892 OH2 TIP3 1129 -14.399 37.095 6.159 1.00 0.00 WAT1 ATOM 4893 H1 TIP3 1129 -15.213 37.535 5.852 1.00 0.00 WAT1 ATOM 4894 H2 TIP3 1129 -13.710 37.789 6.078 1.00 0.00 WAT1 ATOM 4895 OH2 TIP3 1130 -5.775 43.417 8.110 1.00 0.00 WAT1 ATOM 4896 H1 TIP3 1130 -5.282 43.108 8.896 1.00 0.00 WAT1 ATOM 4897 H2 TIP3 1130 -5.514 42.792 7.403 1.00 0.00 WAT1 ATOM 4898 OH2 TIP3 1131 -2.433 44.305 3.471 1.00 0.00 WAT1 ATOM 4899 H1 TIP3 1131 -2.992 45.107 3.562 1.00 0.00 WAT1 ATOM 4900 H2 TIP3 1131 -3.066 43.562 3.556 1.00 0.00 WAT1 ATOM 4901 OH2 TIP3 1132 -4.201 44.518 -3.525 1.00 0.00 WAT1 ATOM 4902 H1 TIP3 1132 -4.466 45.345 -3.079 1.00 0.00 WAT1 ATOM 4903 H2 TIP3 1132 -4.082 43.871 -2.782 1.00 0.00 WAT1 ATOM 4904 OH2 TIP3 1133 -14.466 43.244 -5.560 1.00 0.00 WAT1 ATOM 4905 H1 TIP3 1133 -14.338 44.211 -5.683 1.00 0.00 WAT1 ATOM 4906 H2 TIP3 1133 -15.170 43.182 -4.863 1.00 0.00 WAT1 ATOM 4907 OH2 TIP3 1134 -12.815 40.925 -2.215 1.00 0.00 WAT1 ATOM 4908 H1 TIP3 1134 -11.974 41.272 -2.573 1.00 0.00 WAT1 ATOM 4909 H2 TIP3 1134 -12.555 40.091 -1.758 1.00 0.00 WAT1 ATOM 4910 OH2 TIP3 1135 -9.353 46.659 2.216 1.00 0.00 WAT1 ATOM 4911 H1 TIP3 1135 -9.171 46.622 3.182 1.00 0.00 WAT1 ATOM 4912 H2 TIP3 1135 -8.561 46.246 1.809 1.00 0.00 WAT1 ATOM 4913 OH2 TIP3 1136 -7.437 43.138 -8.141 1.00 0.00 WAT1 ATOM 4914 H1 TIP3 1136 -8.107 43.503 -8.726 1.00 0.00 WAT1 ATOM 4915 H2 TIP3 1136 -7.080 43.927 -7.664 1.00 0.00 WAT1 ATOM 4916 OH2 TIP3 1137 -5.804 47.167 5.297 1.00 0.00 WAT1 ATOM 4917 H1 TIP3 1137 -6.561 46.953 4.726 1.00 0.00 WAT1 ATOM 4918 H2 TIP3 1137 -6.213 47.563 6.093 1.00 0.00 WAT1 ATOM 4919 OH2 TIP3 1138 -13.674 45.825 -5.902 1.00 0.00 WAT1 ATOM 4920 H1 TIP3 1138 -13.332 46.301 -6.683 1.00 0.00 WAT1 ATOM 4921 H2 TIP3 1138 -12.900 45.769 -5.302 1.00 0.00 WAT1 ATOM 4922 OH2 TIP3 1139 -14.436 41.780 -7.897 1.00 0.00 WAT1 ATOM 4923 H1 TIP3 1139 -14.185 42.397 -8.628 1.00 0.00 WAT1 ATOM 4924 H2 TIP3 1139 -14.512 42.359 -7.111 1.00 0.00 WAT1 ATOM 4925 OH2 TIP3 1140 -11.175 45.444 -4.741 1.00 0.00 WAT1 ATOM 4926 H1 TIP3 1140 -10.478 46.127 -4.887 1.00 0.00 WAT1 ATOM 4927 H2 TIP3 1140 -10.926 45.037 -3.884 1.00 0.00 WAT1 ATOM 4928 OH2 TIP3 1141 -20.543 46.914 -7.822 1.00 0.00 WAT1 ATOM 4929 H1 TIP3 1141 -19.598 46.833 -8.079 1.00 0.00 WAT1 ATOM 4930 H2 TIP3 1141 -20.524 46.909 -6.840 1.00 0.00 WAT1 ATOM 4931 OH2 TIP3 1142 -3.360 48.921 -0.261 1.00 0.00 WAT1 ATOM 4932 H1 TIP3 1142 -2.838 49.711 -0.433 1.00 0.00 WAT1 ATOM 4933 H2 TIP3 1142 -2.776 48.368 0.316 1.00 0.00 WAT1 ATOM 4934 OH2 TIP3 1143 -20.841 43.391 -2.395 1.00 0.00 WAT1 ATOM 4935 H1 TIP3 1143 -20.706 42.537 -2.820 1.00 0.00 WAT1 ATOM 4936 H2 TIP3 1143 -19.934 43.682 -2.149 1.00 0.00 WAT1 ATOM 4937 OH2 TIP3 1144 -3.719 42.668 9.893 1.00 0.00 WAT1 ATOM 4938 H1 TIP3 1144 -3.124 42.979 9.175 1.00 0.00 WAT1 ATOM 4939 H2 TIP3 1144 -3.331 43.031 10.696 1.00 0.00 WAT1 ATOM 4940 OH2 TIP3 1145 -6.231 45.358 -7.172 1.00 0.00 WAT1 ATOM 4941 H1 TIP3 1145 -5.436 45.234 -7.733 1.00 0.00 WAT1 ATOM 4942 H2 TIP3 1145 -5.906 45.844 -6.404 1.00 0.00 WAT1 ATOM 4943 OH2 TIP3 1146 -21.057 42.190 4.991 1.00 0.00 WAT1 ATOM 4944 H1 TIP3 1146 -20.969 41.630 4.201 1.00 0.00 WAT1 ATOM 4945 H2 TIP3 1146 -21.813 41.804 5.476 1.00 0.00 WAT1 ATOM 4946 OH2 TIP3 1147 -17.982 46.594 -8.781 1.00 0.00 WAT1 ATOM 4947 H1 TIP3 1147 -17.346 46.794 -9.478 1.00 0.00 WAT1 ATOM 4948 H2 TIP3 1147 -17.423 46.439 -7.984 1.00 0.00 WAT1 ATOM 4949 OH2 TIP3 1148 -13.669 40.775 3.893 1.00 0.00 WAT1 ATOM 4950 H1 TIP3 1148 -14.198 41.585 4.019 1.00 0.00 WAT1 ATOM 4951 H2 TIP3 1148 -13.855 40.507 2.974 1.00 0.00 WAT1 ATOM 4952 OH2 TIP3 1149 -11.687 42.955 -5.805 1.00 0.00 WAT1 ATOM 4953 H1 TIP3 1149 -11.413 43.888 -5.684 1.00 0.00 WAT1 ATOM 4954 H2 TIP3 1149 -12.662 42.979 -5.714 1.00 0.00 WAT1 ATOM 4955 OH2 TIP3 1150 -22.859 40.637 6.439 1.00 0.00 WAT1 ATOM 4956 H1 TIP3 1150 -22.624 39.908 5.826 1.00 0.00 WAT1 ATOM 4957 H2 TIP3 1150 -23.753 40.899 6.158 1.00 0.00 WAT1 ATOM 4958 OH2 TIP3 1151 -11.056 39.086 10.083 1.00 0.00 WAT1 ATOM 4959 H1 TIP3 1151 -10.423 39.028 9.333 1.00 0.00 WAT1 ATOM 4960 H2 TIP3 1151 -11.504 39.927 9.951 1.00 0.00 WAT1 ATOM 4961 OH2 TIP3 1152 -3.643 40.188 -6.540 1.00 0.00 WAT1 ATOM 4962 H1 TIP3 1152 -3.583 40.812 -5.782 1.00 0.00 WAT1 ATOM 4963 H2 TIP3 1152 -4.039 40.729 -7.260 1.00 0.00 WAT1 ATOM 4964 OH2 TIP3 1153 -5.889 34.130 7.691 1.00 0.00 WAT1 ATOM 4965 H1 TIP3 1153 -6.682 33.644 7.963 1.00 0.00 WAT1 ATOM 4966 H2 TIP3 1153 -6.098 34.440 6.789 1.00 0.00 WAT1 ATOM 4967 OH2 TIP3 1154 -16.545 38.872 6.125 1.00 0.00 WAT1 ATOM 4968 H1 TIP3 1154 -16.296 38.733 7.062 1.00 0.00 WAT1 ATOM 4969 H2 TIP3 1154 -16.380 39.828 5.975 1.00 0.00 WAT1 ATOM 4970 OH2 TIP3 1155 -10.043 31.520 8.377 1.00 0.00 WAT1 ATOM 4971 H1 TIP3 1155 -9.398 32.187 8.072 1.00 0.00 WAT1 ATOM 4972 H2 TIP3 1155 -9.487 30.802 8.757 1.00 0.00 WAT1 ATOM 4973 OH2 TIP3 1156 -24.583 36.835 8.599 1.00 0.00 WAT1 ATOM 4974 H1 TIP3 1156 -25.216 37.021 9.298 1.00 0.00 WAT1 ATOM 4975 H2 TIP3 1156 -25.044 36.192 8.024 1.00 0.00 WAT1 ATOM 4976 OH2 TIP3 1157 -1.976 47.445 1.510 1.00 0.00 WAT1 ATOM 4977 H1 TIP3 1157 -1.513 46.610 1.315 1.00 0.00 WAT1 ATOM 4978 H2 TIP3 1157 -2.590 47.213 2.239 1.00 0.00 WAT1 ATOM 4979 OH2 TIP3 1158 -4.251 45.345 6.699 1.00 0.00 WAT1 ATOM 4980 H1 TIP3 1158 -4.960 44.848 7.143 1.00 0.00 WAT1 ATOM 4981 H2 TIP3 1158 -4.724 46.012 6.165 1.00 0.00 WAT1 ATOM 4982 OH2 TIP3 1159 -5.923 43.454 2.316 1.00 0.00 WAT1 ATOM 4983 H1 TIP3 1159 -5.145 43.599 1.725 1.00 0.00 WAT1 ATOM 4984 H2 TIP3 1159 -5.891 42.496 2.528 1.00 0.00 WAT1 ATOM 4985 OH2 TIP3 1160 -7.268 43.153 4.654 1.00 0.00 WAT1 ATOM 4986 H1 TIP3 1160 -7.080 42.202 4.557 1.00 0.00 WAT1 ATOM 4987 H2 TIP3 1160 -6.853 43.556 3.862 1.00 0.00 WAT1 ATOM 4988 OH2 TIP3 1161 -5.133 37.184 5.911 1.00 0.00 WAT1 ATOM 4989 H1 TIP3 1161 -5.407 38.114 5.769 1.00 0.00 WAT1 ATOM 4990 H2 TIP3 1161 -4.201 37.246 6.152 1.00 0.00 WAT1 ATOM 4991 OH2 TIP3 1162 -21.878 37.704 9.077 1.00 0.00 WAT1 ATOM 4992 H1 TIP3 1162 -21.402 37.645 8.212 1.00 0.00 WAT1 ATOM 4993 H2 TIP3 1162 -22.789 37.408 8.866 1.00 0.00 WAT1 ATOM 4994 OH2 TIP3 1163 -5.495 47.977 1.210 1.00 0.00 WAT1 ATOM 4995 H1 TIP3 1163 -4.740 48.341 0.701 1.00 0.00 WAT1 ATOM 4996 H2 TIP3 1163 -6.274 48.444 0.842 1.00 0.00 WAT1 ATOM 4997 OH2 TIP3 1164 -16.183 43.974 0.077 1.00 0.00 WAT1 ATOM 4998 H1 TIP3 1164 -15.460 43.338 -0.093 1.00 0.00 WAT1 ATOM 4999 H2 TIP3 1164 -15.977 44.338 0.944 1.00 0.00 WAT1 ATOM 5000 OH2 TIP3 1165 -9.881 49.039 0.991 1.00 0.00 WAT1 ATOM 5001 H1 TIP3 1165 -9.733 48.170 1.432 1.00 0.00 WAT1 ATOM 5002 H2 TIP3 1165 -10.724 49.337 1.337 1.00 0.00 WAT1 ATOM 5003 OH2 TIP3 1166 -16.163 42.974 -3.469 1.00 0.00 WAT1 ATOM 5004 H1 TIP3 1166 -16.952 43.396 -3.068 1.00 0.00 WAT1 ATOM 5005 H2 TIP3 1166 -15.895 42.318 -2.819 1.00 0.00 WAT1 ATOM 5006 OH2 TIP3 1167 -13.683 43.997 1.935 1.00 0.00 WAT1 ATOM 5007 H1 TIP3 1167 -13.640 43.408 1.149 1.00 0.00 WAT1 ATOM 5008 H2 TIP3 1167 -12.877 44.523 1.883 1.00 0.00 WAT1 ATOM 5009 OH2 TIP3 1168 -19.028 46.480 -2.833 1.00 0.00 WAT1 ATOM 5010 H1 TIP3 1168 -19.572 46.585 -3.644 1.00 0.00 WAT1 ATOM 5011 H2 TIP3 1168 -18.982 47.368 -2.465 1.00 0.00 WAT1 ATOM 5012 OH2 TIP3 1169 -5.754 47.785 -4.309 1.00 0.00 WAT1 ATOM 5013 H1 TIP3 1169 -5.117 47.511 -3.613 1.00 0.00 WAT1 ATOM 5014 H2 TIP3 1169 -5.192 47.936 -5.100 1.00 0.00 WAT1 ATOM 5015 OH2 TIP3 1170 -20.678 46.922 -5.050 1.00 0.00 WAT1 ATOM 5016 H1 TIP3 1170 -21.372 46.315 -4.711 1.00 0.00 WAT1 ATOM 5017 H2 TIP3 1170 -21.143 47.789 -5.151 1.00 0.00 WAT1 ATOM 5018 OH2 TIP3 1171 -8.718 33.865 7.398 1.00 0.00 WAT1 ATOM 5019 H1 TIP3 1171 -8.778 34.695 7.915 1.00 0.00 WAT1 ATOM 5020 H2 TIP3 1171 -8.389 34.153 6.528 1.00 0.00 WAT1 ATOM 5021 OH2 TIP3 1172 -6.701 38.981 7.821 1.00 0.00 WAT1 ATOM 5022 H1 TIP3 1172 -5.951 39.408 8.294 1.00 0.00 WAT1 ATOM 5023 H2 TIP3 1172 -6.592 39.277 6.888 1.00 0.00 WAT1 ATOM 5024 OH2 TIP3 1173 -12.135 37.042 11.448 1.00 0.00 WAT1 ATOM 5025 H1 TIP3 1173 -11.605 37.700 10.934 1.00 0.00 WAT1 ATOM 5026 H2 TIP3 1173 -13.023 37.461 11.514 1.00 0.00 WAT1 ATOM 5027 OH2 TIP3 1174 -17.179 37.876 11.298 1.00 0.00 WAT1 ATOM 5028 H1 TIP3 1174 -17.482 36.952 11.242 1.00 0.00 WAT1 ATOM 5029 H2 TIP3 1174 -17.954 38.393 11.045 1.00 0.00 WAT1 ATOM 5030 OH2 TIP3 1175 -10.052 34.411 10.173 1.00 0.00 WAT1 ATOM 5031 H1 TIP3 1175 -10.026 34.705 11.100 1.00 0.00 WAT1 ATOM 5032 H2 TIP3 1175 -9.493 35.064 9.700 1.00 0.00 WAT1 ATOM 5033 OH2 TIP3 1176 -8.677 36.254 8.792 1.00 0.00 WAT1 ATOM 5034 H1 TIP3 1176 -8.980 37.142 8.510 1.00 0.00 WAT1 ATOM 5035 H2 TIP3 1176 -7.764 36.405 9.115 1.00 0.00 WAT1 ATOM 5036 OH2 TIP3 1177 -5.949 36.400 9.287 1.00 0.00 WAT1 ATOM 5037 H1 TIP3 1177 -5.907 37.141 8.658 1.00 0.00 WAT1 ATOM 5038 H2 TIP3 1177 -5.769 35.605 8.737 1.00 0.00 WAT1 ATOM 5039 OH2 TIP3 1178 -10.008 35.684 12.646 1.00 0.00 WAT1 ATOM 5040 H1 TIP3 1178 -9.369 36.354 12.921 1.00 0.00 WAT1 ATOM 5041 H2 TIP3 1178 -10.791 36.203 12.354 1.00 0.00 WAT1 ATOM 5042 OH2 TIP3 1179 -14.505 38.413 11.226 1.00 0.00 WAT1 ATOM 5043 H1 TIP3 1179 -14.398 39.393 11.224 1.00 0.00 WAT1 ATOM 5044 H2 TIP3 1179 -15.470 38.278 11.371 1.00 0.00 WAT1 ATOM 5045 OH2 TIP3 1180 -11.579 32.164 12.296 1.00 0.00 WAT1 ATOM 5046 H1 TIP3 1180 -11.997 31.606 11.614 1.00 0.00 WAT1 ATOM 5047 H2 TIP3 1180 -11.943 33.058 12.125 1.00 0.00 WAT1 ATOM 5048 OH2 TIP3 1181 -15.539 35.014 11.911 1.00 0.00 WAT1 ATOM 5049 H1 TIP3 1181 -15.439 35.658 12.624 1.00 0.00 WAT1 ATOM 5050 H2 TIP3 1181 -16.510 34.969 11.765 1.00 0.00 WAT1 ATOM 5051 OH2 TIP3 1182 -20.363 36.898 11.211 1.00 0.00 WAT1 ATOM 5052 H1 TIP3 1182 -20.996 37.134 11.897 1.00 0.00 WAT1 ATOM 5053 H2 TIP3 1182 -20.809 37.166 10.372 1.00 0.00 WAT1 ATOM 5054 OH2 TIP3 1183 -14.246 41.127 10.768 1.00 0.00 WAT1 ATOM 5055 H1 TIP3 1183 -14.393 42.022 11.082 1.00 0.00 WAT1 ATOM 5056 H2 TIP3 1183 -14.259 41.208 9.790 1.00 0.00 WAT1 ATOM 5057 OH2 TIP3 1184 -14.515 41.031 8.032 1.00 0.00 WAT1 ATOM 5058 H1 TIP3 1184 -14.816 40.114 8.219 1.00 0.00 WAT1 ATOM 5059 H2 TIP3 1184 -15.181 41.377 7.399 1.00 0.00 WAT1 ATOM 5060 OH2 TIP3 1185 -15.164 38.418 8.491 1.00 0.00 WAT1 ATOM 5061 H1 TIP3 1185 -14.876 38.264 9.414 1.00 0.00 WAT1 ATOM 5062 H2 TIP3 1185 -14.684 37.742 7.973 1.00 0.00 WAT1 ATOM 5063 OH2 TIP3 1186 -4.558 41.797 6.178 1.00 0.00 WAT1 ATOM 5064 H1 TIP3 1186 -4.099 42.011 5.337 1.00 0.00 WAT1 ATOM 5065 H2 TIP3 1186 -5.208 41.091 5.919 1.00 0.00 WAT1 ATOM 5066 OH2 TIP3 1187 -4.494 40.367 8.553 1.00 0.00 WAT1 ATOM 5067 H1 TIP3 1187 -4.174 40.991 9.233 1.00 0.00 WAT1 ATOM 5068 H2 TIP3 1187 -4.332 40.830 7.710 1.00 0.00 WAT1 ATOM 5069 OH2 TIP3 1188 -6.957 35.184 5.357 1.00 0.00 WAT1 ATOM 5070 H1 TIP3 1188 -6.934 35.154 4.385 1.00 0.00 WAT1 ATOM 5071 H2 TIP3 1188 -6.399 35.962 5.584 1.00 0.00 WAT1 ATOM 5072 OH2 TIP3 1189 -4.731 36.024 11.861 1.00 0.00 WAT1 ATOM 5073 H1 TIP3 1189 -5.417 35.506 12.341 1.00 0.00 WAT1 ATOM 5074 H2 TIP3 1189 -5.140 36.206 10.988 1.00 0.00 WAT1 ATOM 5075 OH2 TIP3 1190 -6.362 34.289 13.274 1.00 0.00 WAT1 ATOM 5076 H1 TIP3 1190 -5.768 33.821 13.899 1.00 0.00 WAT1 ATOM 5077 H2 TIP3 1190 -7.184 33.770 13.291 1.00 0.00 WAT1 ATOM 5078 OH2 TIP3 1191 -4.526 33.097 14.917 1.00 0.00 WAT1 ATOM 5079 H1 TIP3 1191 -4.158 32.195 14.781 1.00 0.00 WAT1 ATOM 5080 H2 TIP3 1191 -4.492 33.225 15.892 1.00 0.00 WAT1 ATOM 5081 OH2 TIP3 1192 -17.650 28.328 11.375 1.00 0.00 WAT1 ATOM 5082 H1 TIP3 1192 -18.015 28.326 10.470 1.00 0.00 WAT1 ATOM 5083 H2 TIP3 1192 -18.402 28.050 11.929 1.00 0.00 WAT1 ATOM 5084 OH2 TIP3 1193 -9.103 33.132 13.359 1.00 0.00 WAT1 ATOM 5085 H1 TIP3 1193 -9.356 34.069 13.219 1.00 0.00 WAT1 ATOM 5086 H2 TIP3 1193 -9.778 32.630 12.859 1.00 0.00 WAT1 ATOM 5087 OH2 TIP3 1194 -15.534 34.488 9.180 1.00 0.00 WAT1 ATOM 5088 H1 TIP3 1194 -15.904 35.301 8.821 1.00 0.00 WAT1 ATOM 5089 H2 TIP3 1194 -15.442 34.669 10.136 1.00 0.00 WAT1 ATOM 5090 OH2 TIP3 1195 -12.905 34.416 11.328 1.00 0.00 WAT1 ATOM 5091 H1 TIP3 1195 -13.835 34.563 11.604 1.00 0.00 WAT1 ATOM 5092 H2 TIP3 1195 -12.512 35.319 11.322 1.00 0.00 WAT1 ATOM 5093 OH2 TIP3 1196 -17.886 48.648 -19.685 1.00 0.00 WAT1 ATOM 5094 H1 TIP3 1196 -18.367 47.812 -19.508 1.00 0.00 WAT1 ATOM 5095 H2 TIP3 1196 -17.728 49.025 -18.793 1.00 0.00 WAT1 ATOM 5096 OH2 TIP3 1197 -17.640 49.505 -17.123 1.00 0.00 WAT1 ATOM 5097 H1 TIP3 1197 -18.161 49.787 -16.364 1.00 0.00 WAT1 ATOM 5098 H2 TIP3 1197 -17.353 48.596 -16.893 1.00 0.00 WAT1 ATOM 5099 OH2 TIP3 1198 -19.495 54.323 -18.545 1.00 0.00 WAT1 ATOM 5100 H1 TIP3 1198 -18.881 53.685 -18.973 1.00 0.00 WAT1 ATOM 5101 H2 TIP3 1198 -20.200 53.760 -18.176 1.00 0.00 WAT1 ATOM 5102 OH2 TIP3 1199 -22.445 53.460 -24.217 1.00 0.00 WAT1 ATOM 5103 H1 TIP3 1199 -21.600 53.856 -24.476 1.00 0.00 WAT1 ATOM 5104 H2 TIP3 1199 -23.116 54.129 -24.483 1.00 0.00 WAT1 ATOM 5105 OH2 TIP3 1200 -18.135 52.123 -19.528 1.00 0.00 WAT1 ATOM 5106 H1 TIP3 1200 -17.816 51.483 -18.880 1.00 0.00 WAT1 ATOM 5107 H2 TIP3 1200 -18.039 51.665 -20.385 1.00 0.00 WAT1 ATOM 5108 OH2 TIP3 1201 -22.537 49.431 -16.984 1.00 0.00 WAT1 ATOM 5109 H1 TIP3 1201 -22.073 49.920 -17.674 1.00 0.00 WAT1 ATOM 5110 H2 TIP3 1201 -22.241 49.853 -16.151 1.00 0.00 WAT1 ATOM 5111 OH2 TIP3 1202 -20.963 56.594 -18.569 1.00 0.00 WAT1 ATOM 5112 H1 TIP3 1202 -20.373 55.803 -18.620 1.00 0.00 WAT1 ATOM 5113 H2 TIP3 1202 -20.386 57.298 -18.264 1.00 0.00 WAT1 ATOM 5114 OH2 TIP3 1203 -23.759 52.758 -21.932 1.00 0.00 WAT1 ATOM 5115 H1 TIP3 1203 -24.044 53.662 -21.673 1.00 0.00 WAT1 ATOM 5116 H2 TIP3 1203 -23.257 52.900 -22.768 1.00 0.00 WAT1 ATOM 5117 OH2 TIP3 1204 -21.845 50.701 -14.607 1.00 0.00 WAT1 ATOM 5118 H1 TIP3 1204 -22.585 51.275 -14.303 1.00 0.00 WAT1 ATOM 5119 H2 TIP3 1204 -21.637 50.146 -13.826 1.00 0.00 WAT1 ATOM 5120 OH2 TIP3 1205 -20.689 50.517 -22.011 1.00 0.00 WAT1 ATOM 5121 H1 TIP3 1205 -19.724 50.564 -21.829 1.00 0.00 WAT1 ATOM 5122 H2 TIP3 1205 -20.763 50.740 -22.964 1.00 0.00 WAT1 ATOM 5123 OH2 TIP3 1206 -22.456 48.451 -21.746 1.00 0.00 WAT1 ATOM 5124 H1 TIP3 1206 -22.478 48.178 -22.681 1.00 0.00 WAT1 ATOM 5125 H2 TIP3 1206 -21.717 49.096 -21.707 1.00 0.00 WAT1 ATOM 5126 OH2 TIP3 1207 -17.972 50.370 -21.717 1.00 0.00 WAT1 ATOM 5127 H1 TIP3 1207 -17.726 49.887 -22.529 1.00 0.00 WAT1 ATOM 5128 H2 TIP3 1207 -17.882 49.695 -20.998 1.00 0.00 WAT1 ATOM 5129 OH2 TIP3 1208 -19.307 52.865 -25.732 1.00 0.00 WAT1 ATOM 5130 H1 TIP3 1208 -19.026 53.458 -26.433 1.00 0.00 WAT1 ATOM 5131 H2 TIP3 1208 -18.468 52.455 -25.413 1.00 0.00 WAT1 ATOM 5132 OH2 TIP3 1209 -19.707 46.428 -10.981 1.00 0.00 WAT1 ATOM 5133 H1 TIP3 1209 -19.157 46.265 -10.192 1.00 0.00 WAT1 ATOM 5134 H2 TIP3 1209 -20.501 46.872 -10.631 1.00 0.00 WAT1 ATOM 5135 OH2 TIP3 1210 -21.917 47.730 -9.994 1.00 0.00 WAT1 ATOM 5136 H1 TIP3 1210 -22.741 47.223 -9.847 1.00 0.00 WAT1 ATOM 5137 H2 TIP3 1210 -21.436 47.661 -9.133 1.00 0.00 WAT1 ATOM 5138 OH2 TIP3 1211 -21.164 50.205 -1.329 1.00 0.00 WAT1 ATOM 5139 H1 TIP3 1211 -20.672 50.869 -0.843 1.00 0.00 WAT1 ATOM 5140 H2 TIP3 1211 -21.678 50.724 -1.992 1.00 0.00 WAT1 ATOM 5141 OH2 TIP3 1212 2.591 -6.083 10.210 1.00 0.00 WAT1 ATOM 5142 H1 TIP3 1212 3.300 -6.592 9.795 1.00 0.00 WAT1 ATOM 5143 H2 TIP3 1212 2.567 -5.256 9.711 1.00 0.00 WAT1 ATOM 5144 OH2 TIP3 1213 0.265 -10.507 19.260 1.00 0.00 WAT1 ATOM 5145 H1 TIP3 1213 -0.336 -10.861 19.954 1.00 0.00 WAT1 ATOM 5146 H2 TIP3 1213 1.099 -10.957 19.419 1.00 0.00 WAT1 ATOM 5147 OH2 TIP3 1214 -1.405 -11.517 21.172 1.00 0.00 WAT1 ATOM 5148 H1 TIP3 1214 -1.391 -11.867 22.068 1.00 0.00 WAT1 ATOM 5149 H2 TIP3 1214 -2.256 -11.027 21.118 1.00 0.00 WAT1 ATOM 5150 OH2 TIP3 1215 -1.652 -6.369 18.705 1.00 0.00 WAT1 ATOM 5151 H1 TIP3 1215 -2.612 -6.460 18.532 1.00 0.00 WAT1 ATOM 5152 H2 TIP3 1215 -1.262 -7.179 18.314 1.00 0.00 WAT1 ATOM 5153 OH2 TIP3 1216 -4.419 -6.384 18.354 1.00 0.00 WAT1 ATOM 5154 H1 TIP3 1216 -4.935 -5.963 19.058 1.00 0.00 WAT1 ATOM 5155 H2 TIP3 1216 -4.666 -7.336 18.410 1.00 0.00 WAT1 ATOM 5156 OH2 TIP3 1217 -5.205 -8.975 18.806 1.00 0.00 WAT1 ATOM 5157 H1 TIP3 1217 -5.478 -9.864 18.490 1.00 0.00 WAT1 ATOM 5158 H2 TIP3 1217 -5.922 -8.708 19.426 1.00 0.00 WAT1 ATOM 5159 OH2 TIP3 1218 -1.447 -5.406 21.274 1.00 0.00 WAT1 ATOM 5160 H1 TIP3 1218 -1.459 -5.816 20.382 1.00 0.00 WAT1 ATOM 5161 H2 TIP3 1218 -0.715 -5.839 21.723 1.00 0.00 WAT1 ATOM 5162 OH2 TIP3 1219 -0.869 -8.759 17.519 1.00 0.00 WAT1 ATOM 5163 H1 TIP3 1219 -0.347 -9.308 18.155 1.00 0.00 WAT1 ATOM 5164 H2 TIP3 1219 -1.548 -9.361 17.194 1.00 0.00 WAT1 ATOM 5165 OH2 TIP3 1220 0.397 -6.915 15.870 1.00 0.00 WAT1 ATOM 5166 H1 TIP3 1220 -0.145 -7.580 16.343 1.00 0.00 WAT1 ATOM 5167 H2 TIP3 1220 1.252 -6.955 16.310 1.00 0.00 WAT1 ATOM 5168 OH2 TIP3 1221 1.951 3.080 11.509 1.00 0.00 WAT1 ATOM 5169 H1 TIP3 1221 2.065 2.956 12.478 1.00 0.00 WAT1 ATOM 5170 H2 TIP3 1221 2.360 3.957 11.333 1.00 0.00 WAT1 ATOM 5171 OH2 TIP3 1222 -3.860 1.611 7.761 1.00 0.00 WAT1 ATOM 5172 H1 TIP3 1222 -3.211 1.147 8.321 1.00 0.00 WAT1 ATOM 5173 H2 TIP3 1222 -4.013 0.992 7.021 1.00 0.00 WAT1 ATOM 5174 OH2 TIP3 1223 -2.733 -6.361 8.910 1.00 0.00 WAT1 ATOM 5175 H1 TIP3 1223 -1.864 -6.424 9.375 1.00 0.00 WAT1 ATOM 5176 H2 TIP3 1223 -3.254 -7.115 9.267 1.00 0.00 WAT1 ATOM 5177 OH2 TIP3 1224 -0.654 4.014 11.844 1.00 0.00 WAT1 ATOM 5178 H1 TIP3 1224 0.238 3.623 11.768 1.00 0.00 WAT1 ATOM 5179 H2 TIP3 1224 -0.487 4.932 12.146 1.00 0.00 WAT1 ATOM 5180 OH2 TIP3 1225 0.271 1.659 9.948 1.00 0.00 WAT1 ATOM 5181 H1 TIP3 1225 -0.400 2.351 9.896 1.00 0.00 WAT1 ATOM 5182 H2 TIP3 1225 0.992 2.066 10.484 1.00 0.00 WAT1 ATOM 5183 OH2 TIP3 1226 0.719 -0.913 9.321 1.00 0.00 WAT1 ATOM 5184 H1 TIP3 1226 1.450 -0.710 8.727 1.00 0.00 WAT1 ATOM 5185 H2 TIP3 1226 0.504 -0.043 9.742 1.00 0.00 WAT1 ATOM 5186 OH2 TIP3 1227 -0.250 -6.089 10.024 1.00 0.00 WAT1 ATOM 5187 H1 TIP3 1227 0.662 -6.391 10.153 1.00 0.00 WAT1 ATOM 5188 H2 TIP3 1227 -0.197 -5.118 10.130 1.00 0.00 WAT1 ATOM 5189 OH2 TIP3 1228 -2.088 13.139 -2.037 1.00 0.00 WAT1 ATOM 5190 H1 TIP3 1228 -1.598 12.308 -2.031 1.00 0.00 WAT1 ATOM 5191 H2 TIP3 1228 -2.765 13.012 -2.741 1.00 0.00 WAT1 ATOM 5192 OH2 TIP3 1229 -2.008 -0.498 8.439 1.00 0.00 WAT1 ATOM 5193 H1 TIP3 1229 -2.252 -1.215 9.062 1.00 0.00 WAT1 ATOM 5194 H2 TIP3 1229 -1.045 -0.420 8.538 1.00 0.00 WAT1 ATOM 5195 OH2 TIP3 1230 -0.042 9.889 10.653 1.00 0.00 WAT1 ATOM 5196 H1 TIP3 1230 -0.532 10.702 10.423 1.00 0.00 WAT1 ATOM 5197 H2 TIP3 1230 -0.009 9.386 9.808 1.00 0.00 WAT1 ATOM 5198 OH2 TIP3 1231 -0.019 -4.620 14.424 1.00 0.00 WAT1 ATOM 5199 H1 TIP3 1231 0.574 -4.878 13.698 1.00 0.00 WAT1 ATOM 5200 H2 TIP3 1231 -0.028 -5.407 15.011 1.00 0.00 WAT1 ATOM 5201 OH2 TIP3 1232 1.928 -5.917 12.889 1.00 0.00 WAT1 ATOM 5202 H1 TIP3 1232 1.540 -6.776 13.110 1.00 0.00 WAT1 ATOM 5203 H2 TIP3 1232 2.164 -5.997 11.939 1.00 0.00 WAT1 ATOM 5204 OH2 TIP3 1233 -2.061 2.769 19.481 1.00 0.00 WAT1 ATOM 5205 H1 TIP3 1233 -1.663 3.639 19.256 1.00 0.00 WAT1 ATOM 5206 H2 TIP3 1233 -1.386 2.113 19.194 1.00 0.00 WAT1 ATOM 5207 OH2 TIP3 1234 3.334 7.797 17.946 1.00 0.00 WAT1 ATOM 5208 H1 TIP3 1234 4.269 8.074 18.104 1.00 0.00 WAT1 ATOM 5209 H2 TIP3 1234 3.398 6.836 17.772 1.00 0.00 WAT1 ATOM 5210 OH2 TIP3 1235 -7.811 2.406 17.665 1.00 0.00 WAT1 ATOM 5211 H1 TIP3 1235 -7.086 3.050 17.626 1.00 0.00 WAT1 ATOM 5212 H2 TIP3 1235 -8.121 2.453 18.591 1.00 0.00 WAT1 ATOM 5213 OH2 TIP3 1236 -0.374 0.732 18.653 1.00 0.00 WAT1 ATOM 5214 H1 TIP3 1236 -0.601 -0.024 19.238 1.00 0.00 WAT1 ATOM 5215 H2 TIP3 1236 0.422 0.433 18.170 1.00 0.00 WAT1 ATOM 5216 OH2 TIP3 1237 -4.258 1.985 17.983 1.00 0.00 WAT1 ATOM 5217 H1 TIP3 1237 -4.679 2.695 17.460 1.00 0.00 WAT1 ATOM 5218 H2 TIP3 1237 -3.500 2.425 18.419 1.00 0.00 WAT1 ATOM 5219 OH2 TIP3 1238 -1.798 -1.382 19.763 1.00 0.00 WAT1 ATOM 5220 H1 TIP3 1238 -1.886 -2.153 19.157 1.00 0.00 WAT1 ATOM 5221 H2 TIP3 1238 -2.644 -0.891 19.653 1.00 0.00 WAT1 ATOM 5222 OH2 TIP3 1239 3.553 5.098 17.171 1.00 0.00 WAT1 ATOM 5223 H1 TIP3 1239 2.989 4.291 17.196 1.00 0.00 WAT1 ATOM 5224 H2 TIP3 1239 4.453 4.759 17.244 1.00 0.00 WAT1 ATOM 5225 OH2 TIP3 1240 1.984 2.864 17.003 1.00 0.00 WAT1 ATOM 5226 H1 TIP3 1240 2.022 1.883 16.992 1.00 0.00 WAT1 ATOM 5227 H2 TIP3 1240 1.095 3.060 17.329 1.00 0.00 WAT1 ATOM 5228 OH2 TIP3 1241 -3.265 4.794 23.136 1.00 0.00 WAT1 ATOM 5229 H1 TIP3 1241 -3.140 4.047 22.516 1.00 0.00 WAT1 ATOM 5230 H2 TIP3 1241 -4.075 4.552 23.635 1.00 0.00 WAT1 ATOM 5231 OH2 TIP3 1242 1.020 8.894 16.472 1.00 0.00 WAT1 ATOM 5232 H1 TIP3 1242 1.147 9.138 17.416 1.00 0.00 WAT1 ATOM 5233 H2 TIP3 1242 1.816 8.385 16.253 1.00 0.00 WAT1 ATOM 5234 OH2 TIP3 1243 -2.958 6.685 25.196 1.00 0.00 WAT1 ATOM 5235 H1 TIP3 1243 -2.841 6.125 24.404 1.00 0.00 WAT1 ATOM 5236 H2 TIP3 1243 -3.280 6.063 25.881 1.00 0.00 WAT1 ATOM 5237 OH2 TIP3 1244 1.582 0.128 16.672 1.00 0.00 WAT1 ATOM 5238 H1 TIP3 1244 1.161 0.244 15.808 1.00 0.00 WAT1 ATOM 5239 H2 TIP3 1244 2.035 -0.741 16.601 1.00 0.00 WAT1 ATOM 5240 OH2 TIP3 1245 0.309 -3.386 10.453 1.00 0.00 WAT1 ATOM 5241 H1 TIP3 1245 0.445 -2.560 9.933 1.00 0.00 WAT1 ATOM 5242 H2 TIP3 1245 0.692 -3.187 11.315 1.00 0.00 WAT1 ATOM 5243 OH2 TIP3 1246 -4.248 -0.198 19.609 1.00 0.00 WAT1 ATOM 5244 H1 TIP3 1246 -5.162 -0.552 19.549 1.00 0.00 WAT1 ATOM 5245 H2 TIP3 1246 -4.245 0.565 18.981 1.00 0.00 WAT1 ATOM 5246 OH2 TIP3 1247 3.433 -4.505 14.729 1.00 0.00 WAT1 ATOM 5247 H1 TIP3 1247 4.273 -4.961 14.631 1.00 0.00 WAT1 ATOM 5248 H2 TIP3 1247 2.839 -4.956 14.091 1.00 0.00 WAT1 ATOM 5249 OH2 TIP3 1248 2.551 -2.480 16.387 1.00 0.00 WAT1 ATOM 5250 H1 TIP3 1248 2.781 -3.100 15.654 1.00 0.00 WAT1 ATOM 5251 H2 TIP3 1248 3.208 -2.669 17.066 1.00 0.00 WAT1 ATOM 5252 OH2 TIP3 1249 -1.934 -0.548 16.650 1.00 0.00 WAT1 ATOM 5253 H1 TIP3 1249 -1.343 -1.329 16.574 1.00 0.00 WAT1 ATOM 5254 H2 TIP3 1249 -1.571 -0.047 17.403 1.00 0.00 WAT1 ATOM 5255 OH2 TIP3 1250 -1.174 5.352 18.831 1.00 0.00 WAT1 ATOM 5256 H1 TIP3 1250 -0.667 5.711 19.567 1.00 0.00 WAT1 ATOM 5257 H2 TIP3 1250 -1.152 6.065 18.156 1.00 0.00 WAT1 ATOM 5258 OH2 TIP3 1251 -2.008 1.706 27.736 1.00 0.00 WAT1 ATOM 5259 H1 TIP3 1251 -2.418 1.946 26.879 1.00 0.00 WAT1 ATOM 5260 H2 TIP3 1251 -1.451 0.951 27.529 1.00 0.00 WAT1 ATOM 5261 OH2 TIP3 1252 5.947 8.397 18.502 1.00 0.00 WAT1 ATOM 5262 H1 TIP3 1252 6.661 7.909 18.920 1.00 0.00 WAT1 ATOM 5263 H2 TIP3 1252 6.283 9.320 18.456 1.00 0.00 WAT1 ATOM 5264 OH2 TIP3 1253 -2.106 0.827 14.272 1.00 0.00 WAT1 ATOM 5265 H1 TIP3 1253 -2.092 0.459 15.181 1.00 0.00 WAT1 ATOM 5266 H2 TIP3 1253 -2.200 1.788 14.401 1.00 0.00 WAT1 ATOM 5267 OH2 TIP3 1254 -1.285 7.631 17.240 1.00 0.00 WAT1 ATOM 5268 H1 TIP3 1254 -1.841 8.405 17.017 1.00 0.00 WAT1 ATOM 5269 H2 TIP3 1254 -0.392 7.888 16.932 1.00 0.00 WAT1 ATOM 5270 OH2 TIP3 1255 7.180 10.841 18.537 1.00 0.00 WAT1 ATOM 5271 H1 TIP3 1255 6.775 11.697 18.710 1.00 0.00 WAT1 ATOM 5272 H2 TIP3 1255 8.110 11.042 18.391 1.00 0.00 WAT1 ATOM 5273 OH2 TIP3 1256 -3.073 11.848 22.549 1.00 0.00 WAT1 ATOM 5274 H1 TIP3 1256 -2.454 12.270 21.902 1.00 0.00 WAT1 ATOM 5275 H2 TIP3 1256 -3.910 12.333 22.422 1.00 0.00 WAT1 ATOM 5276 OH2 TIP3 1257 2.136 5.963 14.975 1.00 0.00 WAT1 ATOM 5277 H1 TIP3 1257 2.646 5.758 15.787 1.00 0.00 WAT1 ATOM 5278 H2 TIP3 1257 2.729 6.560 14.463 1.00 0.00 WAT1 ATOM 5279 OH2 TIP3 1258 -2.562 3.643 13.763 1.00 0.00 WAT1 ATOM 5280 H1 TIP3 1258 -2.846 4.571 13.869 1.00 0.00 WAT1 ATOM 5281 H2 TIP3 1258 -1.812 3.697 13.129 1.00 0.00 WAT1 ATOM 5282 OH2 TIP3 1259 3.448 7.776 13.428 1.00 0.00 WAT1 ATOM 5283 H1 TIP3 1259 2.640 8.294 13.201 1.00 0.00 WAT1 ATOM 5284 H2 TIP3 1259 4.151 8.434 13.454 1.00 0.00 WAT1 ATOM 5285 OH2 TIP3 1260 -0.230 -2.715 16.360 1.00 0.00 WAT1 ATOM 5286 H1 TIP3 1260 0.736 -2.595 16.480 1.00 0.00 WAT1 ATOM 5287 H2 TIP3 1260 -0.298 -3.310 15.577 1.00 0.00 WAT1 ATOM 5288 OH2 TIP3 1261 0.166 6.389 13.071 1.00 0.00 WAT1 ATOM 5289 H1 TIP3 1261 0.632 6.133 13.894 1.00 0.00 WAT1 ATOM 5290 H2 TIP3 1261 0.372 7.342 12.968 1.00 0.00 WAT1 ATOM 5291 OH2 TIP3 1262 -2.833 -0.579 12.075 1.00 0.00 WAT1 ATOM 5292 H1 TIP3 1262 -2.437 -0.196 12.890 1.00 0.00 WAT1 ATOM 5293 H2 TIP3 1262 -3.301 0.173 11.668 1.00 0.00 WAT1 ATOM 5294 OH2 TIP3 1263 -2.996 -3.197 21.443 1.00 0.00 WAT1 ATOM 5295 H1 TIP3 1263 -2.414 -2.529 21.025 1.00 0.00 WAT1 ATOM 5296 H2 TIP3 1263 -2.461 -4.030 21.418 1.00 0.00 WAT1 ATOM 5297 OH2 TIP3 1264 -3.112 11.951 25.336 1.00 0.00 WAT1 ATOM 5298 H1 TIP3 1264 -2.945 11.032 25.653 1.00 0.00 WAT1 ATOM 5299 H2 TIP3 1264 -2.924 11.907 24.375 1.00 0.00 WAT1 ATOM 5300 OH2 TIP3 1265 -3.328 3.034 29.711 1.00 0.00 WAT1 ATOM 5301 H1 TIP3 1265 -2.648 3.457 30.244 1.00 0.00 WAT1 ATOM 5302 H2 TIP3 1265 -2.822 2.511 29.046 1.00 0.00 WAT1 ATOM 5303 OH2 TIP3 1266 2.568 5.725 11.702 1.00 0.00 WAT1 ATOM 5304 H1 TIP3 1266 1.666 6.019 11.904 1.00 0.00 WAT1 ATOM 5305 H2 TIP3 1266 3.135 6.363 12.170 1.00 0.00 WAT1 ATOM 5306 OH2 TIP3 1267 2.023 3.311 14.208 1.00 0.00 WAT1 ATOM 5307 H1 TIP3 1267 2.082 3.006 15.126 1.00 0.00 WAT1 ATOM 5308 H2 TIP3 1267 2.034 4.284 14.281 1.00 0.00 WAT1 ATOM 5309 OH2 TIP3 1268 -2.687 9.958 16.504 1.00 0.00 WAT1 ATOM 5310 H1 TIP3 1268 -3.242 10.341 15.779 1.00 0.00 WAT1 ATOM 5311 H2 TIP3 1268 -3.257 10.032 17.300 1.00 0.00 WAT1 ATOM 5312 OH2 TIP3 1269 -3.507 2.383 21.818 1.00 0.00 WAT1 ATOM 5313 H1 TIP3 1269 -3.003 2.388 20.970 1.00 0.00 WAT1 ATOM 5314 H2 TIP3 1269 -3.606 1.432 22.033 1.00 0.00 WAT1 ATOM 5315 OH2 TIP3 1270 -4.895 -3.444 23.339 1.00 0.00 WAT1 ATOM 5316 H1 TIP3 1270 -4.435 -3.886 24.060 1.00 0.00 WAT1 ATOM 5317 H2 TIP3 1270 -4.227 -3.400 22.618 1.00 0.00 WAT1 ATOM 5318 OH2 TIP3 1271 -4.264 -0.273 22.345 1.00 0.00 WAT1 ATOM 5319 H1 TIP3 1271 -3.873 -1.114 22.619 1.00 0.00 WAT1 ATOM 5320 H2 TIP3 1271 -4.304 -0.335 21.365 1.00 0.00 WAT1 ATOM 5321 OH2 TIP3 1272 -2.977 9.323 26.107 1.00 0.00 WAT1 ATOM 5322 H1 TIP3 1272 -2.797 8.434 25.731 1.00 0.00 WAT1 ATOM 5323 H2 TIP3 1272 -3.440 9.134 26.947 1.00 0.00 WAT1 ATOM 5324 OH2 TIP3 1273 -3.951 16.560 21.668 1.00 0.00 WAT1 ATOM 5325 H1 TIP3 1273 -4.763 16.271 21.204 1.00 0.00 WAT1 ATOM 5326 H2 TIP3 1273 -4.193 16.522 22.619 1.00 0.00 WAT1 ATOM 5327 OH2 TIP3 1274 -1.612 9.904 20.897 1.00 0.00 WAT1 ATOM 5328 H1 TIP3 1274 -1.384 10.710 21.383 1.00 0.00 WAT1 ATOM 5329 H2 TIP3 1274 -1.414 10.128 19.966 1.00 0.00 WAT1 ATOM 5330 OH2 TIP3 1275 -4.473 15.405 17.934 1.00 0.00 WAT1 ATOM 5331 H1 TIP3 1275 -4.237 16.028 17.215 1.00 0.00 WAT1 ATOM 5332 H2 TIP3 1275 -3.624 15.240 18.394 1.00 0.00 WAT1 ATOM 5333 OH2 TIP3 1276 1.418 9.367 19.128 1.00 0.00 WAT1 ATOM 5334 H1 TIP3 1276 2.200 8.815 18.888 1.00 0.00 WAT1 ATOM 5335 H2 TIP3 1276 1.412 9.360 20.095 1.00 0.00 WAT1 ATOM 5336 OH2 TIP3 1277 -1.984 -3.656 18.241 1.00 0.00 WAT1 ATOM 5337 H1 TIP3 1277 -1.315 -3.406 17.569 1.00 0.00 WAT1 ATOM 5338 H2 TIP3 1277 -1.755 -4.580 18.475 1.00 0.00 WAT1 ATOM 5339 OH2 TIP3 1278 -0.504 10.339 14.723 1.00 0.00 WAT1 ATOM 5340 H1 TIP3 1278 -1.358 10.290 15.191 1.00 0.00 WAT1 ATOM 5341 H2 TIP3 1278 0.131 9.919 15.344 1.00 0.00 WAT1 ATOM 5342 OH2 TIP3 1279 -2.312 -2.531 10.298 1.00 0.00 WAT1 ATOM 5343 H1 TIP3 1279 -2.455 -1.893 11.041 1.00 0.00 WAT1 ATOM 5344 H2 TIP3 1279 -1.420 -2.896 10.462 1.00 0.00 WAT1 ATOM 5345 OH2 TIP3 1280 1.050 8.975 12.922 1.00 0.00 WAT1 ATOM 5346 H1 TIP3 1280 0.536 9.523 13.551 1.00 0.00 WAT1 ATOM 5347 H2 TIP3 1280 0.747 9.286 12.032 1.00 0.00 WAT1 ATOM 5348 OH2 TIP3 1281 -3.012 6.506 31.216 1.00 0.00 WAT1 ATOM 5349 H1 TIP3 1281 -2.272 6.814 31.746 1.00 0.00 WAT1 ATOM 5350 H2 TIP3 1281 -2.645 6.427 30.310 1.00 0.00 WAT1 ATOM 5351 OH2 TIP3 1282 -6.720 24.184 -14.730 1.00 0.00 WAT1 ATOM 5352 H1 TIP3 1282 -7.123 23.932 -15.567 1.00 0.00 WAT1 ATOM 5353 H2 TIP3 1282 -7.474 24.474 -14.177 1.00 0.00 WAT1 ATOM 5354 OH2 TIP3 1283 -1.239 23.023 -9.342 1.00 0.00 WAT1 ATOM 5355 H1 TIP3 1283 -1.533 22.717 -8.455 1.00 0.00 WAT1 ATOM 5356 H2 TIP3 1283 -1.132 22.192 -9.856 1.00 0.00 WAT1 ATOM 5357 OH2 TIP3 1284 -1.226 20.531 -10.449 1.00 0.00 WAT1 ATOM 5358 H1 TIP3 1284 -2.015 20.772 -10.985 1.00 0.00 WAT1 ATOM 5359 H2 TIP3 1284 -1.222 19.549 -10.467 1.00 0.00 WAT1 ATOM 5360 OH2 TIP3 1285 -1.577 27.558 -9.381 1.00 0.00 WAT1 ATOM 5361 H1 TIP3 1285 -1.034 26.881 -8.943 1.00 0.00 WAT1 ATOM 5362 H2 TIP3 1285 -1.387 28.379 -8.877 1.00 0.00 WAT1 ATOM 5363 OH2 TIP3 1286 -4.396 21.257 -7.866 1.00 0.00 WAT1 ATOM 5364 H1 TIP3 1286 -3.984 20.402 -8.119 1.00 0.00 WAT1 ATOM 5365 H2 TIP3 1286 -3.673 21.745 -7.423 1.00 0.00 WAT1 ATOM 5366 OH2 TIP3 1287 -3.296 24.692 -9.899 1.00 0.00 WAT1 ATOM 5367 H1 TIP3 1287 -3.020 25.163 -10.688 1.00 0.00 WAT1 ATOM 5368 H2 TIP3 1287 -2.539 24.099 -9.697 1.00 0.00 WAT1 ATOM 5369 OH2 TIP3 1288 -1.554 17.842 -10.253 1.00 0.00 WAT1 ATOM 5370 H1 TIP3 1288 -0.910 17.524 -9.581 1.00 0.00 WAT1 ATOM 5371 H2 TIP3 1288 -1.821 17.026 -10.735 1.00 0.00 WAT1 ATOM 5372 OH2 TIP3 1289 -1.950 22.122 -6.877 1.00 0.00 WAT1 ATOM 5373 H1 TIP3 1289 -1.616 22.624 -6.100 1.00 0.00 WAT1 ATOM 5374 H2 TIP3 1289 -1.552 21.229 -6.775 1.00 0.00 WAT1 ATOM 5375 OH2 TIP3 1290 -3.708 20.758 -11.682 1.00 0.00 WAT1 ATOM 5376 H1 TIP3 1290 -4.426 20.713 -11.029 1.00 0.00 WAT1 ATOM 5377 H2 TIP3 1290 -4.087 21.295 -12.416 1.00 0.00 WAT1 ATOM 5378 OH2 TIP3 1291 4.508 21.293 -8.832 1.00 0.00 WAT1 ATOM 5379 H1 TIP3 1291 4.113 20.402 -8.708 1.00 0.00 WAT1 ATOM 5380 H2 TIP3 1291 5.336 21.121 -9.285 1.00 0.00 WAT1 ATOM 5381 OH2 TIP3 1292 -2.606 15.602 -11.425 1.00 0.00 WAT1 ATOM 5382 H1 TIP3 1292 -3.500 15.643 -11.022 1.00 0.00 WAT1 ATOM 5383 H2 TIP3 1292 -2.729 15.074 -12.218 1.00 0.00 WAT1 ATOM 5384 OH2 TIP3 1293 -1.317 30.055 -8.188 1.00 0.00 WAT1 ATOM 5385 H1 TIP3 1293 -0.358 30.089 -8.397 1.00 0.00 WAT1 ATOM 5386 H2 TIP3 1293 -1.624 30.970 -8.339 1.00 0.00 WAT1 ATOM 5387 OH2 TIP3 1294 2.282 22.648 -7.998 1.00 0.00 WAT1 ATOM 5388 H1 TIP3 1294 1.740 21.850 -8.192 1.00 0.00 WAT1 ATOM 5389 H2 TIP3 1294 3.177 22.410 -8.330 1.00 0.00 WAT1 ATOM 5390 OH2 TIP3 1295 0.862 20.350 -8.474 1.00 0.00 WAT1 ATOM 5391 H1 TIP3 1295 0.280 20.016 -7.749 1.00 0.00 WAT1 ATOM 5392 H2 TIP3 1295 0.262 20.435 -9.241 1.00 0.00 WAT1 ATOM 5393 OH2 TIP3 1296 -0.102 17.260 -8.036 1.00 0.00 WAT1 ATOM 5394 H1 TIP3 1296 -0.282 17.953 -7.362 1.00 0.00 WAT1 ATOM 5395 H2 TIP3 1296 -0.476 16.438 -7.643 1.00 0.00 WAT1 ATOM 5396 OH2 TIP3 1297 3.253 18.874 -8.659 1.00 0.00 WAT1 ATOM 5397 H1 TIP3 1297 2.416 19.382 -8.617 1.00 0.00 WAT1 ATOM 5398 H2 TIP3 1297 2.975 17.947 -8.510 1.00 0.00 WAT1 ATOM 5399 OH2 TIP3 1298 -3.049 18.893 -8.180 1.00 0.00 WAT1 ATOM 5400 H1 TIP3 1298 -2.313 19.074 -7.551 1.00 0.00 WAT1 ATOM 5401 H2 TIP3 1298 -2.595 18.575 -8.990 1.00 0.00 WAT1 ATOM 5402 OH2 TIP3 1299 4.729 15.172 -8.846 1.00 0.00 WAT1 ATOM 5403 H1 TIP3 1299 4.582 14.235 -8.981 1.00 0.00 WAT1 ATOM 5404 H2 TIP3 1299 3.853 15.516 -8.555 1.00 0.00 WAT1 ATOM 5405 OH2 TIP3 1300 -5.148 16.098 -10.488 1.00 0.00 WAT1 ATOM 5406 H1 TIP3 1300 -5.190 16.515 -9.599 1.00 0.00 WAT1 ATOM 5407 H2 TIP3 1300 -6.066 15.787 -10.648 1.00 0.00 WAT1 ATOM 5408 OH2 TIP3 1301 -0.078 26.940 -6.737 1.00 0.00 WAT1 ATOM 5409 H1 TIP3 1301 0.171 26.150 -7.279 1.00 0.00 WAT1 ATOM 5410 H2 TIP3 1301 -0.052 26.611 -5.811 1.00 0.00 WAT1 ATOM 5411 OH2 TIP3 1302 1.339 30.180 -8.982 1.00 0.00 WAT1 ATOM 5412 H1 TIP3 1302 1.695 29.702 -8.191 1.00 0.00 WAT1 ATOM 5413 H2 TIP3 1302 1.825 29.801 -9.723 1.00 0.00 WAT1 ATOM 5414 OH2 TIP3 1303 -1.095 14.911 -7.122 1.00 0.00 WAT1 ATOM 5415 H1 TIP3 1303 -0.816 14.050 -7.463 1.00 0.00 WAT1 ATOM 5416 H2 TIP3 1303 -2.085 14.858 -7.117 1.00 0.00 WAT1 ATOM 5417 OH2 TIP3 1304 0.505 11.184 -3.508 1.00 0.00 WAT1 ATOM 5418 H1 TIP3 1304 0.799 10.326 -3.191 1.00 0.00 WAT1 ATOM 5419 H2 TIP3 1304 0.890 11.825 -2.866 1.00 0.00 WAT1 ATOM 5420 OH2 TIP3 1305 0.630 19.954 6.979 1.00 0.00 WAT1 ATOM 5421 H1 TIP3 1305 0.147 19.101 6.999 1.00 0.00 WAT1 ATOM 5422 H2 TIP3 1305 0.569 20.239 6.045 1.00 0.00 WAT1 ATOM 5423 OH2 TIP3 1306 1.740 21.842 2.296 1.00 0.00 WAT1 ATOM 5424 H1 TIP3 1306 0.862 22.226 2.051 1.00 0.00 WAT1 ATOM 5425 H2 TIP3 1306 2.345 22.181 1.606 1.00 0.00 WAT1 ATOM 5426 OH2 TIP3 1307 3.996 19.309 0.798 1.00 0.00 WAT1 ATOM 5427 H1 TIP3 1307 4.046 19.932 0.037 1.00 0.00 WAT1 ATOM 5428 H2 TIP3 1307 3.958 19.885 1.572 1.00 0.00 WAT1 ATOM 5429 OH2 TIP3 1308 3.349 23.110 0.326 1.00 0.00 WAT1 ATOM 5430 H1 TIP3 1308 3.421 23.804 1.022 1.00 0.00 WAT1 ATOM 5431 H2 TIP3 1308 3.418 23.616 -0.516 1.00 0.00 WAT1 ATOM 5432 OH2 TIP3 1309 -0.050 14.417 5.328 1.00 0.00 WAT1 ATOM 5433 H1 TIP3 1309 0.102 14.506 4.370 1.00 0.00 WAT1 ATOM 5434 H2 TIP3 1309 0.744 14.795 5.730 1.00 0.00 WAT1 ATOM 5435 OH2 TIP3 1310 2.415 23.295 4.612 1.00 0.00 WAT1 ATOM 5436 H1 TIP3 1310 2.718 24.059 4.107 1.00 0.00 WAT1 ATOM 5437 H2 TIP3 1310 2.183 22.637 3.929 1.00 0.00 WAT1 ATOM 5438 OH2 TIP3 1311 3.622 16.777 1.912 1.00 0.00 WAT1 ATOM 5439 H1 TIP3 1311 3.218 16.339 1.148 1.00 0.00 WAT1 ATOM 5440 H2 TIP3 1311 3.827 17.677 1.589 1.00 0.00 WAT1 ATOM 5441 OH2 TIP3 1312 2.306 28.351 7.095 1.00 0.00 WAT1 ATOM 5442 H1 TIP3 1312 2.805 28.195 6.263 1.00 0.00 WAT1 ATOM 5443 H2 TIP3 1312 2.050 29.293 7.040 1.00 0.00 WAT1 ATOM 5444 OH2 TIP3 1313 6.065 18.288 -5.379 1.00 0.00 WAT1 ATOM 5445 H1 TIP3 1313 7.018 18.369 -5.457 1.00 0.00 WAT1 ATOM 5446 H2 TIP3 1313 5.776 18.012 -6.280 1.00 0.00 WAT1 ATOM 5447 OH2 TIP3 1314 0.149 22.238 -2.236 1.00 0.00 WAT1 ATOM 5448 H1 TIP3 1314 0.732 21.613 -2.702 1.00 0.00 WAT1 ATOM 5449 H2 TIP3 1314 -0.300 21.694 -1.573 1.00 0.00 WAT1 ATOM 5450 OH2 TIP3 1315 1.677 26.666 0.031 1.00 0.00 WAT1 ATOM 5451 H1 TIP3 1315 1.436 26.087 -0.722 1.00 0.00 WAT1 ATOM 5452 H2 TIP3 1315 1.381 27.554 -0.249 1.00 0.00 WAT1 ATOM 5453 OH2 TIP3 1316 0.118 20.357 4.176 1.00 0.00 WAT1 ATOM 5454 H1 TIP3 1316 -0.659 20.722 3.729 1.00 0.00 WAT1 ATOM 5455 H2 TIP3 1316 0.871 20.663 3.631 1.00 0.00 WAT1 ATOM 5456 OH2 TIP3 1317 2.787 24.785 9.924 1.00 0.00 WAT1 ATOM 5457 H1 TIP3 1317 2.519 25.733 9.899 1.00 0.00 WAT1 ATOM 5458 H2 TIP3 1317 2.817 24.523 8.979 1.00 0.00 WAT1 ATOM 5459 OH2 TIP3 1318 2.956 21.890 9.142 1.00 0.00 WAT1 ATOM 5460 H1 TIP3 1318 2.715 22.455 8.381 1.00 0.00 WAT1 ATOM 5461 H2 TIP3 1318 3.231 22.517 9.822 1.00 0.00 WAT1 ATOM 5462 OH2 TIP3 1319 0.240 23.661 9.880 1.00 0.00 WAT1 ATOM 5463 H1 TIP3 1319 1.143 23.921 10.160 1.00 0.00 WAT1 ATOM 5464 H2 TIP3 1319 0.029 24.285 9.169 1.00 0.00 WAT1 ATOM 5465 OH2 TIP3 1320 -0.821 25.618 1.018 1.00 0.00 WAT1 ATOM 5466 H1 TIP3 1320 0.039 26.073 1.063 1.00 0.00 WAT1 ATOM 5467 H2 TIP3 1320 -1.453 26.263 1.396 1.00 0.00 WAT1 ATOM 5468 OH2 TIP3 1321 2.979 15.336 4.089 1.00 0.00 WAT1 ATOM 5469 H1 TIP3 1321 3.770 14.822 4.274 1.00 0.00 WAT1 ATOM 5470 H2 TIP3 1321 3.268 15.986 3.405 1.00 0.00 WAT1 ATOM 5471 OH2 TIP3 1322 5.697 17.617 -8.004 1.00 0.00 WAT1 ATOM 5472 H1 TIP3 1322 4.922 18.109 -8.329 1.00 0.00 WAT1 ATOM 5473 H2 TIP3 1322 5.568 16.710 -8.354 1.00 0.00 WAT1 ATOM 5474 OH2 TIP3 1323 0.778 14.824 2.545 1.00 0.00 WAT1 ATOM 5475 H1 TIP3 1323 1.585 14.988 3.077 1.00 0.00 WAT1 ATOM 5476 H2 TIP3 1323 1.054 15.020 1.626 1.00 0.00 WAT1 ATOM 5477 OH2 TIP3 1324 -0.078 19.186 -0.904 1.00 0.00 WAT1 ATOM 5478 H1 TIP3 1324 0.393 19.072 -0.068 1.00 0.00 WAT1 ATOM 5479 H2 TIP3 1324 0.633 19.329 -1.564 1.00 0.00 WAT1 ATOM 5480 OH2 TIP3 1325 -1.373 17.891 4.577 1.00 0.00 WAT1 ATOM 5481 H1 TIP3 1325 -1.056 17.573 5.449 1.00 0.00 WAT1 ATOM 5482 H2 TIP3 1325 -0.813 18.666 4.390 1.00 0.00 WAT1 ATOM 5483 OH2 TIP3 1326 2.454 16.343 -7.951 1.00 0.00 WAT1 ATOM 5484 H1 TIP3 1326 2.612 16.559 -6.998 1.00 0.00 WAT1 ATOM 5485 H2 TIP3 1326 1.516 16.589 -8.097 1.00 0.00 WAT1 ATOM 5486 OH2 TIP3 1327 -2.073 17.452 -1.732 1.00 0.00 WAT1 ATOM 5487 H1 TIP3 1327 -1.393 18.090 -1.421 1.00 0.00 WAT1 ATOM 5488 H2 TIP3 1327 -1.591 16.604 -1.788 1.00 0.00 WAT1 ATOM 5489 OH2 TIP3 1328 2.620 17.327 -5.463 1.00 0.00 WAT1 ATOM 5490 H1 TIP3 1328 3.153 17.650 -4.722 1.00 0.00 WAT1 ATOM 5491 H2 TIP3 1328 1.748 17.768 -5.345 1.00 0.00 WAT1 ATOM 5492 OH2 TIP3 1329 0.651 26.031 7.402 1.00 0.00 WAT1 ATOM 5493 H1 TIP3 1329 1.283 26.773 7.310 1.00 0.00 WAT1 ATOM 5494 H2 TIP3 1329 -0.215 26.433 7.199 1.00 0.00 WAT1 ATOM 5495 OH2 TIP3 1330 1.563 15.578 -0.072 1.00 0.00 WAT1 ATOM 5496 H1 TIP3 1330 0.758 15.557 -0.631 1.00 0.00 WAT1 ATOM 5497 H2 TIP3 1330 2.170 16.187 -0.552 1.00 0.00 WAT1 ATOM 5498 OH2 TIP3 1331 3.750 24.571 -1.933 1.00 0.00 WAT1 ATOM 5499 H1 TIP3 1331 4.655 24.757 -2.202 1.00 0.00 WAT1 ATOM 5500 H2 TIP3 1331 3.220 25.276 -2.373 1.00 0.00 WAT1 ATOM 5501 OH2 TIP3 1332 -0.659 22.895 1.605 1.00 0.00 WAT1 ATOM 5502 H1 TIP3 1332 -1.554 22.517 1.470 1.00 0.00 WAT1 ATOM 5503 H2 TIP3 1332 -0.783 23.859 1.463 1.00 0.00 WAT1 ATOM 5504 OH2 TIP3 1333 3.326 25.358 1.879 1.00 0.00 WAT1 ATOM 5505 H1 TIP3 1333 3.800 26.053 2.351 1.00 0.00 WAT1 ATOM 5506 H2 TIP3 1333 2.736 25.846 1.262 1.00 0.00 WAT1 ATOM 5507 OH2 TIP3 1334 0.098 25.033 -1.611 1.00 0.00 WAT1 ATOM 5508 H1 TIP3 1334 -0.372 25.063 -0.753 1.00 0.00 WAT1 ATOM 5509 H2 TIP3 1334 0.211 24.077 -1.788 1.00 0.00 WAT1 ATOM 5510 OH2 TIP3 1335 3.307 31.174 3.344 1.00 0.00 WAT1 ATOM 5511 H1 TIP3 1335 4.063 31.757 3.605 1.00 0.00 WAT1 ATOM 5512 H2 TIP3 1335 2.517 31.666 3.642 1.00 0.00 WAT1 ATOM 5513 OH2 TIP3 1336 2.351 29.273 -2.647 1.00 0.00 WAT1 ATOM 5514 H1 TIP3 1336 2.994 29.682 -2.054 1.00 0.00 WAT1 ATOM 5515 H2 TIP3 1336 1.550 29.154 -2.090 1.00 0.00 WAT1 ATOM 5516 OH2 TIP3 1337 -2.467 14.677 9.842 1.00 0.00 WAT1 ATOM 5517 H1 TIP3 1337 -2.824 15.424 9.310 1.00 0.00 WAT1 ATOM 5518 H2 TIP3 1337 -1.673 15.056 10.285 1.00 0.00 WAT1 ATOM 5519 OH2 TIP3 1338 2.037 28.710 -6.858 1.00 0.00 WAT1 ATOM 5520 H1 TIP3 1338 1.284 28.082 -6.801 1.00 0.00 WAT1 ATOM 5521 H2 TIP3 1338 2.594 28.481 -6.109 1.00 0.00 WAT1 ATOM 5522 OH2 TIP3 1339 2.530 26.582 -3.308 1.00 0.00 WAT1 ATOM 5523 H1 TIP3 1339 2.524 27.547 -3.145 1.00 0.00 WAT1 ATOM 5524 H2 TIP3 1339 1.690 26.412 -3.776 1.00 0.00 WAT1 ATOM 5525 OH2 TIP3 1340 3.820 20.934 -1.371 1.00 0.00 WAT1 ATOM 5526 H1 TIP3 1340 3.051 20.958 -1.959 1.00 0.00 WAT1 ATOM 5527 H2 TIP3 1340 3.748 21.760 -0.846 1.00 0.00 WAT1 ATOM 5528 OH2 TIP3 1341 1.370 13.053 -1.715 1.00 0.00 WAT1 ATOM 5529 H1 TIP3 1341 1.925 13.347 -0.981 1.00 0.00 WAT1 ATOM 5530 H2 TIP3 1341 0.815 13.829 -1.915 1.00 0.00 WAT1 ATOM 5531 OH2 TIP3 1342 -0.039 25.936 -4.205 1.00 0.00 WAT1 ATOM 5532 H1 TIP3 1342 -0.058 25.844 -3.228 1.00 0.00 WAT1 ATOM 5533 H2 TIP3 1342 -0.428 25.095 -4.527 1.00 0.00 WAT1 ATOM 5534 OH2 TIP3 1343 -1.859 15.433 2.457 1.00 0.00 WAT1 ATOM 5535 H1 TIP3 1343 -0.926 15.132 2.443 1.00 0.00 WAT1 ATOM 5536 H2 TIP3 1343 -1.863 16.158 3.099 1.00 0.00 WAT1 ATOM 5537 OH2 TIP3 1344 4.371 25.977 11.904 1.00 0.00 WAT1 ATOM 5538 H1 TIP3 1344 4.962 25.335 12.300 1.00 0.00 WAT1 ATOM 5539 H2 TIP3 1344 3.847 25.461 11.265 1.00 0.00 WAT1 ATOM 5540 OH2 TIP3 1345 2.337 23.887 7.333 1.00 0.00 WAT1 ATOM 5541 H1 TIP3 1345 2.460 23.570 6.409 1.00 0.00 WAT1 ATOM 5542 H2 TIP3 1345 1.699 24.630 7.246 1.00 0.00 WAT1 ATOM 5543 OH2 TIP3 1346 1.773 22.868 -5.350 1.00 0.00 WAT1 ATOM 5544 H1 TIP3 1346 1.968 22.779 -6.310 1.00 0.00 WAT1 ATOM 5545 H2 TIP3 1346 2.619 23.101 -4.958 1.00 0.00 WAT1 ATOM 5546 OH2 TIP3 1347 -0.617 17.538 7.242 1.00 0.00 WAT1 ATOM 5547 H1 TIP3 1347 0.092 16.890 7.461 1.00 0.00 WAT1 ATOM 5548 H2 TIP3 1347 -1.057 17.710 8.093 1.00 0.00 WAT1 ATOM 5549 OH2 TIP3 1348 1.657 19.736 -2.999 1.00 0.00 WAT1 ATOM 5550 H1 TIP3 1348 1.111 19.359 -3.731 1.00 0.00 WAT1 ATOM 5551 H2 TIP3 1348 2.546 19.349 -3.146 1.00 0.00 WAT1 ATOM 5552 OH2 TIP3 1349 2.713 19.211 8.601 1.00 0.00 WAT1 ATOM 5553 H1 TIP3 1349 3.027 20.076 8.939 1.00 0.00 WAT1 ATOM 5554 H2 TIP3 1349 2.090 19.450 7.888 1.00 0.00 WAT1 ATOM 5555 OH2 TIP3 1350 4.212 18.694 -3.434 1.00 0.00 WAT1 ATOM 5556 H1 TIP3 1350 4.854 18.461 -4.157 1.00 0.00 WAT1 ATOM 5557 H2 TIP3 1350 4.642 19.429 -2.968 1.00 0.00 WAT1 ATOM 5558 OH2 TIP3 1351 1.505 17.447 10.275 1.00 0.00 WAT1 ATOM 5559 H1 TIP3 1351 1.107 18.048 10.947 1.00 0.00 WAT1 ATOM 5560 H2 TIP3 1351 2.072 18.044 9.731 1.00 0.00 WAT1 ATOM 5561 OH2 TIP3 1352 1.617 16.092 7.883 1.00 0.00 WAT1 ATOM 5562 H1 TIP3 1352 2.442 16.412 7.498 1.00 0.00 WAT1 ATOM 5563 H2 TIP3 1352 1.646 16.408 8.808 1.00 0.00 WAT1 ATOM 5564 OH2 TIP3 1353 -0.771 23.337 -4.683 1.00 0.00 WAT1 ATOM 5565 H1 TIP3 1353 -0.726 23.034 -3.757 1.00 0.00 WAT1 ATOM 5566 H2 TIP3 1353 0.142 23.177 -5.029 1.00 0.00 WAT1 ATOM 5567 OH2 TIP3 1354 -3.526 16.831 8.505 1.00 0.00 WAT1 ATOM 5568 H1 TIP3 1354 -3.065 17.608 8.903 1.00 0.00 WAT1 ATOM 5569 H2 TIP3 1354 -3.746 17.126 7.600 1.00 0.00 WAT1 ATOM 5570 OH2 TIP3 1355 -4.606 16.883 -2.941 1.00 0.00 WAT1 ATOM 5571 H1 TIP3 1355 -3.680 16.938 -2.633 1.00 0.00 WAT1 ATOM 5572 H2 TIP3 1355 -5.024 16.251 -2.330 1.00 0.00 WAT1 ATOM 5573 OH2 TIP3 1356 -2.161 13.416 6.754 1.00 0.00 WAT1 ATOM 5574 H1 TIP3 1356 -2.324 14.223 7.254 1.00 0.00 WAT1 ATOM 5575 H2 TIP3 1356 -1.432 13.662 6.135 1.00 0.00 WAT1 ATOM 5576 OH2 TIP3 1357 5.168 32.963 4.082 1.00 0.00 WAT1 ATOM 5577 H1 TIP3 1357 5.947 32.692 4.574 1.00 0.00 WAT1 ATOM 5578 H2 TIP3 1357 5.179 33.945 4.143 1.00 0.00 WAT1 ATOM 5579 OH2 TIP3 1358 3.064 28.632 4.433 1.00 0.00 WAT1 ATOM 5580 H1 TIP3 1358 2.108 28.696 4.259 1.00 0.00 WAT1 ATOM 5581 H2 TIP3 1358 3.432 29.444 4.030 1.00 0.00 WAT1 ATOM 5582 OH2 TIP3 1359 -0.403 15.254 -1.998 1.00 0.00 WAT1 ATOM 5583 H1 TIP3 1359 -0.322 15.500 -2.956 1.00 0.00 WAT1 ATOM 5584 H2 TIP3 1359 -1.074 14.529 -1.994 1.00 0.00 WAT1 ATOM 5585 OH2 TIP3 1360 0.189 12.370 -5.971 1.00 0.00 WAT1 ATOM 5586 H1 TIP3 1360 0.483 13.257 -5.726 1.00 0.00 WAT1 ATOM 5587 H2 TIP3 1360 0.287 11.848 -5.143 1.00 0.00 WAT1 ATOM 5588 OH2 TIP3 1361 0.218 28.837 -0.973 1.00 0.00 WAT1 ATOM 5589 H1 TIP3 1361 -0.122 29.761 -1.072 1.00 0.00 WAT1 ATOM 5590 H2 TIP3 1361 -0.578 28.311 -0.820 1.00 0.00 WAT1 ATOM 5591 OH2 TIP3 1362 -0.396 15.839 -4.609 1.00 0.00 WAT1 ATOM 5592 H1 TIP3 1362 -0.687 15.499 -5.478 1.00 0.00 WAT1 ATOM 5593 H2 TIP3 1362 -0.166 16.781 -4.784 1.00 0.00 WAT1 ATOM 5594 OH2 TIP3 1363 3.270 17.419 -1.108 1.00 0.00 WAT1 ATOM 5595 H1 TIP3 1363 3.644 17.651 -1.980 1.00 0.00 WAT1 ATOM 5596 H2 TIP3 1363 3.630 18.098 -0.504 1.00 0.00 WAT1 ATOM 5597 OH2 TIP3 1364 -2.474 28.337 -6.296 1.00 0.00 WAT1 ATOM 5598 H1 TIP3 1364 -1.683 27.774 -6.221 1.00 0.00 WAT1 ATOM 5599 H2 TIP3 1364 -2.201 29.046 -6.908 1.00 0.00 WAT1 ATOM 5600 OH2 TIP3 1365 -1.588 12.864 20.588 1.00 0.00 WAT1 ATOM 5601 H1 TIP3 1365 -1.251 12.429 19.779 1.00 0.00 WAT1 ATOM 5602 H2 TIP3 1365 -1.791 13.783 20.298 1.00 0.00 WAT1 ATOM 5603 OH2 TIP3 1366 -3.411 22.940 13.739 1.00 0.00 WAT1 ATOM 5604 H1 TIP3 1366 -2.766 22.711 13.026 1.00 0.00 WAT1 ATOM 5605 H2 TIP3 1366 -3.265 23.879 13.891 1.00 0.00 WAT1 ATOM 5606 OH2 TIP3 1367 -1.856 29.168 16.317 1.00 0.00 WAT1 ATOM 5607 H1 TIP3 1367 -1.922 29.610 17.195 1.00 0.00 WAT1 ATOM 5608 H2 TIP3 1367 -1.163 28.512 16.436 1.00 0.00 WAT1 ATOM 5609 OH2 TIP3 1368 -2.319 15.382 19.767 1.00 0.00 WAT1 ATOM 5610 H1 TIP3 1368 -1.540 15.978 19.673 1.00 0.00 WAT1 ATOM 5611 H2 TIP3 1368 -2.852 15.800 20.476 1.00 0.00 WAT1 ATOM 5612 OH2 TIP3 1369 -3.336 19.622 11.886 1.00 0.00 WAT1 ATOM 5613 H1 TIP3 1369 -4.043 20.302 11.795 1.00 0.00 WAT1 ATOM 5614 H2 TIP3 1369 -3.549 19.179 12.727 1.00 0.00 WAT1 ATOM 5615 OH2 TIP3 1370 -1.895 18.500 24.625 1.00 0.00 WAT1 ATOM 5616 H1 TIP3 1370 -2.749 18.598 25.077 1.00 0.00 WAT1 ATOM 5617 H2 TIP3 1370 -1.362 17.978 25.240 1.00 0.00 WAT1 ATOM 5618 OH2 TIP3 1371 -1.651 22.628 11.657 1.00 0.00 WAT1 ATOM 5619 H1 TIP3 1371 -0.971 23.113 11.146 1.00 0.00 WAT1 ATOM 5620 H2 TIP3 1371 -1.757 21.797 11.177 1.00 0.00 WAT1 ATOM 5621 OH2 TIP3 1372 -2.051 18.819 9.584 1.00 0.00 WAT1 ATOM 5622 H1 TIP3 1372 -1.373 19.521 9.524 1.00 0.00 WAT1 ATOM 5623 H2 TIP3 1372 -2.545 19.036 10.411 1.00 0.00 WAT1 ATOM 5624 OH2 TIP3 1373 -6.002 15.392 20.209 1.00 0.00 WAT1 ATOM 5625 H1 TIP3 1373 -5.901 14.522 20.621 1.00 0.00 WAT1 ATOM 5626 H2 TIP3 1373 -5.534 15.308 19.342 1.00 0.00 WAT1 ATOM 5627 OH2 TIP3 1374 -1.852 30.667 18.573 1.00 0.00 WAT1 ATOM 5628 H1 TIP3 1374 -1.675 31.430 17.985 1.00 0.00 WAT1 ATOM 5629 H2 TIP3 1374 -1.966 31.058 19.442 1.00 0.00 WAT1 ATOM 5630 OH2 TIP3 1375 -0.189 20.888 9.541 1.00 0.00 WAT1 ATOM 5631 H1 TIP3 1375 0.070 21.828 9.641 1.00 0.00 WAT1 ATOM 5632 H2 TIP3 1375 0.216 20.621 8.688 1.00 0.00 WAT1 ATOM 5633 OH2 TIP3 1376 -1.617 16.697 26.979 1.00 0.00 WAT1 ATOM 5634 H1 TIP3 1376 -2.101 15.927 26.600 1.00 0.00 WAT1 ATOM 5635 H2 TIP3 1376 -0.815 16.314 27.349 1.00 0.00 WAT1 ATOM 5636 OH2 TIP3 1377 2.132 27.455 9.728 1.00 0.00 WAT1 ATOM 5637 H1 TIP3 1377 2.714 27.944 10.327 1.00 0.00 WAT1 ATOM 5638 H2 TIP3 1377 2.308 27.848 8.845 1.00 0.00 WAT1 ATOM 5639 OH2 TIP3 1378 -5.311 21.504 12.169 1.00 0.00 WAT1 ATOM 5640 H1 TIP3 1378 -6.230 21.452 12.493 1.00 0.00 WAT1 ATOM 5641 H2 TIP3 1378 -4.876 22.131 12.773 1.00 0.00 WAT1 ATOM 5642 OH2 TIP3 1379 -3.195 30.729 14.564 1.00 0.00 WAT1 ATOM 5643 H1 TIP3 1379 -3.175 30.229 13.743 1.00 0.00 WAT1 ATOM 5644 H2 TIP3 1379 -2.793 30.119 15.227 1.00 0.00 WAT1 ATOM 5645 OH2 TIP3 1380 -3.922 18.095 26.533 1.00 0.00 WAT1 ATOM 5646 H1 TIP3 1380 -4.317 18.455 27.334 1.00 0.00 WAT1 ATOM 5647 H2 TIP3 1380 -3.110 17.637 26.849 1.00 0.00 WAT1 ATOM 5648 OH2 TIP3 1381 -1.892 18.379 21.870 1.00 0.00 WAT1 ATOM 5649 H1 TIP3 1381 -2.668 17.789 21.797 1.00 0.00 WAT1 ATOM 5650 H2 TIP3 1381 -1.808 18.544 22.834 1.00 0.00 WAT1 ATOM 5651 OH2 TIP3 1382 -0.350 17.282 19.918 1.00 0.00 WAT1 ATOM 5652 H1 TIP3 1382 0.540 17.639 19.956 1.00 0.00 WAT1 ATOM 5653 H2 TIP3 1382 -0.837 17.771 20.622 1.00 0.00 WAT1 ATOM 5654 OH2 TIP3 1383 0.229 19.313 11.800 1.00 0.00 WAT1 ATOM 5655 H1 TIP3 1383 0.157 19.980 11.089 1.00 0.00 WAT1 ATOM 5656 H2 TIP3 1383 -0.499 19.523 12.397 1.00 0.00 WAT1 ATOM 5657 OH2 TIP3 1384 -0.761 11.078 18.588 1.00 0.00 WAT1 ATOM 5658 H1 TIP3 1384 0.101 10.613 18.602 1.00 0.00 WAT1 ATOM 5659 H2 TIP3 1384 -1.041 11.036 17.661 1.00 0.00 WAT1 ATOM 5660 OH2 TIP3 1385 -0.276 15.595 11.235 1.00 0.00 WAT1 ATOM 5661 H1 TIP3 1385 0.310 16.278 10.836 1.00 0.00 WAT1 ATOM 5662 H2 TIP3 1385 0.336 14.931 11.575 1.00 0.00 WAT1 ATOM 5663 OH2 TIP3 1386 -0.654 27.866 9.862 1.00 0.00 WAT1 ATOM 5664 H1 TIP3 1386 0.292 27.618 9.906 1.00 0.00 WAT1 ATOM 5665 H2 TIP3 1386 -0.921 27.625 8.961 1.00 0.00 WAT1 ATOM 5666 OH2 TIP3 1387 -3.210 14.782 25.818 1.00 0.00 WAT1 ATOM 5667 H1 TIP3 1387 -3.050 13.873 25.489 1.00 0.00 WAT1 ATOM 5668 H2 TIP3 1387 -3.724 15.209 25.107 1.00 0.00 WAT1 ATOM 5669 OH2 TIP3 1388 -1.410 30.412 10.487 1.00 0.00 WAT1 ATOM 5670 H1 TIP3 1388 -1.262 29.440 10.455 1.00 0.00 WAT1 ATOM 5671 H2 TIP3 1388 -0.632 30.784 10.005 1.00 0.00 WAT1 ATOM 5672 OH2 TIP3 1389 -2.391 31.412 -11.235 1.00 0.00 WAT1 ATOM 5673 H1 TIP3 1389 -2.178 31.874 -10.390 1.00 0.00 WAT1 ATOM 5674 H2 TIP3 1389 -1.786 31.805 -11.876 1.00 0.00 WAT1 ATOM 5675 OH2 TIP3 1390 -0.170 41.016 -3.732 1.00 0.00 WAT1 ATOM 5676 H1 TIP3 1390 -0.844 41.288 -3.067 1.00 0.00 WAT1 ATOM 5677 H2 TIP3 1390 -0.690 40.564 -4.426 1.00 0.00 WAT1 ATOM 5678 OH2 TIP3 1391 1.351 38.648 -3.484 1.00 0.00 WAT1 ATOM 5679 H1 TIP3 1391 1.172 38.649 -2.518 1.00 0.00 WAT1 ATOM 5680 H2 TIP3 1391 0.848 39.416 -3.817 1.00 0.00 WAT1 ATOM 5681 OH2 TIP3 1392 -4.817 33.537 -6.380 1.00 0.00 WAT1 ATOM 5682 H1 TIP3 1392 -3.912 33.750 -6.682 1.00 0.00 WAT1 ATOM 5683 H2 TIP3 1392 -4.742 33.522 -5.411 1.00 0.00 WAT1 ATOM 5684 OH2 TIP3 1393 -6.709 33.319 -10.593 1.00 0.00 WAT1 ATOM 5685 H1 TIP3 1393 -6.126 32.622 -10.984 1.00 0.00 WAT1 ATOM 5686 H2 TIP3 1393 -6.989 33.845 -11.353 1.00 0.00 WAT1 ATOM 5687 OH2 TIP3 1394 -5.158 31.348 -11.562 1.00 0.00 WAT1 ATOM 5688 H1 TIP3 1394 -5.203 30.686 -12.287 1.00 0.00 WAT1 ATOM 5689 H2 TIP3 1394 -4.195 31.480 -11.419 1.00 0.00 WAT1 ATOM 5690 OH2 TIP3 1395 0.903 32.768 -8.126 1.00 0.00 WAT1 ATOM 5691 H1 TIP3 1395 0.688 32.567 -7.195 1.00 0.00 WAT1 ATOM 5692 H2 TIP3 1395 1.289 31.937 -8.467 1.00 0.00 WAT1 ATOM 5693 OH2 TIP3 1396 -0.524 31.990 -5.862 1.00 0.00 WAT1 ATOM 5694 H1 TIP3 1396 -0.930 31.115 -5.855 1.00 0.00 WAT1 ATOM 5695 H2 TIP3 1396 0.097 31.971 -5.090 1.00 0.00 WAT1 ATOM 5696 OH2 TIP3 1397 1.748 38.861 5.079 1.00 0.00 WAT1 ATOM 5697 H1 TIP3 1397 1.095 39.405 5.541 1.00 0.00 WAT1 ATOM 5698 H2 TIP3 1397 1.236 38.443 4.339 1.00 0.00 WAT1 ATOM 5699 OH2 TIP3 1398 0.992 43.114 1.177 1.00 0.00 WAT1 ATOM 5700 H1 TIP3 1398 1.510 42.885 1.976 1.00 0.00 WAT1 ATOM 5701 H2 TIP3 1398 1.633 43.612 0.610 1.00 0.00 WAT1 ATOM 5702 OH2 TIP3 1399 6.083 39.375 -1.143 1.00 0.00 WAT1 ATOM 5703 H1 TIP3 1399 5.863 38.674 -0.522 1.00 0.00 WAT1 ATOM 5704 H2 TIP3 1399 5.266 39.493 -1.673 1.00 0.00 WAT1 ATOM 5705 OH2 TIP3 1400 4.638 41.113 3.611 1.00 0.00 WAT1 ATOM 5706 H1 TIP3 1400 3.817 41.625 3.489 1.00 0.00 WAT1 ATOM 5707 H2 TIP3 1400 4.532 40.343 3.009 1.00 0.00 WAT1 ATOM 5708 OH2 TIP3 1401 2.251 42.591 3.615 1.00 0.00 WAT1 ATOM 5709 H1 TIP3 1401 2.564 43.356 4.111 1.00 0.00 WAT1 ATOM 5710 H2 TIP3 1401 1.307 42.502 3.879 1.00 0.00 WAT1 ATOM 5711 OH2 TIP3 1402 -0.798 31.346 -1.313 1.00 0.00 WAT1 ATOM 5712 H1 TIP3 1402 -1.397 31.831 -0.717 1.00 0.00 WAT1 ATOM 5713 H2 TIP3 1402 -0.105 31.997 -1.537 1.00 0.00 WAT1 ATOM 5714 OH2 TIP3 1403 3.907 42.455 -1.857 1.00 0.00 WAT1 ATOM 5715 H1 TIP3 1403 3.836 41.502 -2.070 1.00 0.00 WAT1 ATOM 5716 H2 TIP3 1403 4.771 42.528 -1.389 1.00 0.00 WAT1 ATOM 5717 OH2 TIP3 1404 2.630 44.456 -0.484 1.00 0.00 WAT1 ATOM 5718 H1 TIP3 1404 2.250 45.004 -1.180 1.00 0.00 WAT1 ATOM 5719 H2 TIP3 1404 3.165 43.790 -0.968 1.00 0.00 WAT1 ATOM 5720 OH2 TIP3 1405 1.436 32.982 4.309 1.00 0.00 WAT1 ATOM 5721 H1 TIP3 1405 2.152 33.627 4.135 1.00 0.00 WAT1 ATOM 5722 H2 TIP3 1405 0.622 33.481 4.114 1.00 0.00 WAT1 ATOM 5723 OH2 TIP3 1406 -0.444 41.782 6.775 1.00 0.00 WAT1 ATOM 5724 H1 TIP3 1406 -1.110 42.404 7.133 1.00 0.00 WAT1 ATOM 5725 H2 TIP3 1406 -0.340 42.056 5.841 1.00 0.00 WAT1 ATOM 5726 OH2 TIP3 1407 -0.319 40.889 0.151 1.00 0.00 WAT1 ATOM 5727 H1 TIP3 1407 -0.884 41.142 -0.610 1.00 0.00 WAT1 ATOM 5728 H2 TIP3 1407 0.149 41.720 0.391 1.00 0.00 WAT1 ATOM 5729 OH2 TIP3 1408 -1.079 40.163 2.742 1.00 0.00 WAT1 ATOM 5730 H1 TIP3 1408 -0.686 39.279 2.920 1.00 0.00 WAT1 ATOM 5731 H2 TIP3 1408 -0.833 40.350 1.809 1.00 0.00 WAT1 ATOM 5732 OH2 TIP3 1409 -3.971 44.201 0.614 1.00 0.00 WAT1 ATOM 5733 H1 TIP3 1409 -3.951 43.750 -0.259 1.00 0.00 WAT1 ATOM 5734 H2 TIP3 1409 -3.078 44.565 0.712 1.00 0.00 WAT1 ATOM 5735 OH2 TIP3 1410 1.115 46.630 -5.368 1.00 0.00 WAT1 ATOM 5736 H1 TIP3 1410 0.360 47.019 -5.839 1.00 0.00 WAT1 ATOM 5737 H2 TIP3 1410 1.777 46.491 -6.052 1.00 0.00 WAT1 ATOM 5738 OH2 TIP3 1411 -0.415 42.491 4.133 1.00 0.00 WAT1 ATOM 5739 H1 TIP3 1411 -1.105 43.162 3.936 1.00 0.00 WAT1 ATOM 5740 H2 TIP3 1411 -0.722 41.685 3.662 1.00 0.00 WAT1 ATOM 5741 OH2 TIP3 1412 5.629 35.625 4.456 1.00 0.00 WAT1 ATOM 5742 H1 TIP3 1412 5.790 36.296 5.153 1.00 0.00 WAT1 ATOM 5743 H2 TIP3 1412 5.566 36.140 3.638 1.00 0.00 WAT1 ATOM 5744 OH2 TIP3 1413 3.948 38.920 2.136 1.00 0.00 WAT1 ATOM 5745 H1 TIP3 1413 2.997 38.890 1.989 1.00 0.00 WAT1 ATOM 5746 H2 TIP3 1413 4.249 38.007 1.945 1.00 0.00 WAT1 ATOM 5747 OH2 TIP3 1414 3.032 35.191 -0.566 1.00 0.00 WAT1 ATOM 5748 H1 TIP3 1414 2.328 35.672 -0.076 1.00 0.00 WAT1 ATOM 5749 H2 TIP3 1414 3.056 35.634 -1.447 1.00 0.00 WAT1 ATOM 5750 OH2 TIP3 1415 1.176 36.721 0.739 1.00 0.00 WAT1 ATOM 5751 H1 TIP3 1415 1.032 36.853 1.699 1.00 0.00 WAT1 ATOM 5752 H2 TIP3 1415 0.272 36.810 0.351 1.00 0.00 WAT1 ATOM 5753 OH2 TIP3 1416 2.934 36.446 -2.984 1.00 0.00 WAT1 ATOM 5754 H1 TIP3 1416 2.292 37.141 -3.241 1.00 0.00 WAT1 ATOM 5755 H2 TIP3 1416 3.529 36.385 -3.735 1.00 0.00 WAT1 ATOM 5756 OH2 TIP3 1417 3.608 39.756 -2.267 1.00 0.00 WAT1 ATOM 5757 H1 TIP3 1417 2.986 39.527 -1.538 1.00 0.00 WAT1 ATOM 5758 H2 TIP3 1417 3.143 39.467 -3.069 1.00 0.00 WAT1 ATOM 5759 OH2 TIP3 1418 4.387 36.262 1.670 1.00 0.00 WAT1 ATOM 5760 H1 TIP3 1418 4.156 35.833 0.823 1.00 0.00 WAT1 ATOM 5761 H2 TIP3 1418 3.745 35.882 2.312 1.00 0.00 WAT1 ATOM 5762 OH2 TIP3 1419 1.694 32.804 -1.402 1.00 0.00 WAT1 ATOM 5763 H1 TIP3 1419 2.068 33.704 -1.342 1.00 0.00 WAT1 ATOM 5764 H2 TIP3 1419 2.111 32.328 -0.648 1.00 0.00 WAT1 ATOM 5765 OH2 TIP3 1420 2.609 35.372 3.519 1.00 0.00 WAT1 ATOM 5766 H1 TIP3 1420 2.892 35.740 4.379 1.00 0.00 WAT1 ATOM 5767 H2 TIP3 1420 1.638 35.558 3.487 1.00 0.00 WAT1 ATOM 5768 OH2 TIP3 1421 -3.455 41.715 3.662 1.00 0.00 WAT1 ATOM 5769 H1 TIP3 1421 -2.821 41.049 3.335 1.00 0.00 WAT1 ATOM 5770 H2 TIP3 1421 -4.340 41.312 3.493 1.00 0.00 WAT1 ATOM 5771 OH2 TIP3 1422 0.506 39.779 8.342 1.00 0.00 WAT1 ATOM 5772 H1 TIP3 1422 0.075 40.503 7.834 1.00 0.00 WAT1 ATOM 5773 H2 TIP3 1422 1.436 40.088 8.452 1.00 0.00 WAT1 ATOM 5774 OH2 TIP3 1423 0.269 45.529 -2.969 1.00 0.00 WAT1 ATOM 5775 H1 TIP3 1423 0.692 44.636 -2.970 1.00 0.00 WAT1 ATOM 5776 H2 TIP3 1423 0.717 46.005 -3.702 1.00 0.00 WAT1 ATOM 5777 OH2 TIP3 1424 -1.789 38.662 -2.527 1.00 0.00 WAT1 ATOM 5778 H1 TIP3 1424 -1.602 38.641 -3.488 1.00 0.00 WAT1 ATOM 5779 H2 TIP3 1424 -1.914 39.616 -2.328 1.00 0.00 WAT1 ATOM 5780 OH2 TIP3 1425 1.447 43.126 -3.006 1.00 0.00 WAT1 ATOM 5781 H1 TIP3 1425 2.310 42.797 -2.688 1.00 0.00 WAT1 ATOM 5782 H2 TIP3 1425 0.982 42.323 -3.323 1.00 0.00 WAT1 ATOM 5783 OH2 TIP3 1426 -3.995 46.738 3.246 1.00 0.00 WAT1 ATOM 5784 H1 TIP3 1426 -4.478 46.919 4.079 1.00 0.00 WAT1 ATOM 5785 H2 TIP3 1426 -4.570 47.123 2.550 1.00 0.00 WAT1 ATOM 5786 OH2 TIP3 1427 -3.174 42.077 -4.578 1.00 0.00 WAT1 ATOM 5787 H1 TIP3 1427 -2.879 41.852 -3.670 1.00 0.00 WAT1 ATOM 5788 H2 TIP3 1427 -3.662 42.915 -4.465 1.00 0.00 WAT1 ATOM 5789 OH2 TIP3 1428 6.203 41.998 -0.422 1.00 0.00 WAT1 ATOM 5790 H1 TIP3 1428 6.320 41.066 -0.710 1.00 0.00 WAT1 ATOM 5791 H2 TIP3 1428 6.595 42.024 0.455 1.00 0.00 WAT1 ATOM 5792 OH2 TIP3 1429 5.505 37.511 6.467 1.00 0.00 WAT1 ATOM 5793 H1 TIP3 1429 5.642 37.457 7.435 1.00 0.00 WAT1 ATOM 5794 H2 TIP3 1429 5.249 38.450 6.314 1.00 0.00 WAT1 ATOM 5795 OH2 TIP3 1430 1.507 39.000 -0.737 1.00 0.00 WAT1 ATOM 5796 H1 TIP3 1430 0.835 39.609 -0.360 1.00 0.00 WAT1 ATOM 5797 H2 TIP3 1430 1.442 38.197 -0.177 1.00 0.00 WAT1 ATOM 5798 OH2 TIP3 1431 -2.200 43.861 -6.908 1.00 0.00 WAT1 ATOM 5799 H1 TIP3 1431 -2.020 44.359 -6.080 1.00 0.00 WAT1 ATOM 5800 H2 TIP3 1431 -2.338 42.949 -6.607 1.00 0.00 WAT1 ATOM 5801 OH2 TIP3 1432 -1.242 37.460 -0.152 1.00 0.00 WAT1 ATOM 5802 H1 TIP3 1432 -2.112 37.523 0.274 1.00 0.00 WAT1 ATOM 5803 H2 TIP3 1432 -1.382 37.845 -1.046 1.00 0.00 WAT1 ATOM 5804 OH2 TIP3 1433 -1.897 45.342 -4.656 1.00 0.00 WAT1 ATOM 5805 H1 TIP3 1433 -2.732 45.124 -4.179 1.00 0.00 WAT1 ATOM 5806 H2 TIP3 1433 -1.210 45.321 -3.956 1.00 0.00 WAT1 ATOM 5807 OH2 TIP3 1434 -2.583 43.359 7.485 1.00 0.00 WAT1 ATOM 5808 H1 TIP3 1434 -2.877 44.267 7.240 1.00 0.00 WAT1 ATOM 5809 H2 TIP3 1434 -3.189 42.776 6.989 1.00 0.00 WAT1 ATOM 5810 OH2 TIP3 1435 -1.879 36.351 7.574 1.00 0.00 WAT1 ATOM 5811 H1 TIP3 1435 -1.654 37.222 7.919 1.00 0.00 WAT1 ATOM 5812 H2 TIP3 1435 -1.051 36.043 7.145 1.00 0.00 WAT1 ATOM 5813 OH2 TIP3 1436 2.953 36.626 5.974 1.00 0.00 WAT1 ATOM 5814 H1 TIP3 1436 2.505 37.467 5.714 1.00 0.00 WAT1 ATOM 5815 H2 TIP3 1436 3.902 36.874 6.043 1.00 0.00 WAT1 ATOM 5816 OH2 TIP3 1437 0.455 35.467 6.403 1.00 0.00 WAT1 ATOM 5817 H1 TIP3 1437 1.357 35.845 6.365 1.00 0.00 WAT1 ATOM 5818 H2 TIP3 1437 0.172 35.431 5.453 1.00 0.00 WAT1 ATOM 5819 OH2 TIP3 1438 4.239 39.861 5.972 1.00 0.00 WAT1 ATOM 5820 H1 TIP3 1438 3.349 39.596 5.663 1.00 0.00 WAT1 ATOM 5821 H2 TIP3 1438 4.589 40.417 5.236 1.00 0.00 WAT1 ATOM 5822 OH2 TIP3 1439 0.375 37.824 10.249 1.00 0.00 WAT1 ATOM 5823 H1 TIP3 1439 -0.532 37.778 10.614 1.00 0.00 WAT1 ATOM 5824 H2 TIP3 1439 0.332 38.552 9.584 1.00 0.00 WAT1 ATOM 5825 OH2 TIP3 1440 1.385 30.892 6.256 1.00 0.00 WAT1 ATOM 5826 H1 TIP3 1440 1.493 31.708 5.724 1.00 0.00 WAT1 ATOM 5827 H2 TIP3 1440 1.004 30.248 5.624 1.00 0.00 WAT1 ATOM 5828 OH2 TIP3 1441 3.147 40.350 8.543 1.00 0.00 WAT1 ATOM 5829 H1 TIP3 1441 3.743 40.225 7.780 1.00 0.00 WAT1 ATOM 5830 H2 TIP3 1441 3.500 39.758 9.226 1.00 0.00 WAT1 ATOM 5831 OH2 TIP3 1442 1.146 34.074 8.699 1.00 0.00 WAT1 ATOM 5832 H1 TIP3 1442 0.748 34.520 7.922 1.00 0.00 WAT1 ATOM 5833 H2 TIP3 1442 2.091 34.358 8.678 1.00 0.00 WAT1 ATOM 5834 OH2 TIP3 1443 3.566 35.250 8.330 1.00 0.00 WAT1 ATOM 5835 H1 TIP3 1443 3.395 35.643 7.454 1.00 0.00 WAT1 ATOM 5836 H2 TIP3 1443 4.276 35.802 8.702 1.00 0.00 WAT1 ATOM 5837 OH2 TIP3 1444 -1.473 39.087 -5.254 1.00 0.00 WAT1 ATOM 5838 H1 TIP3 1444 -2.215 39.470 -5.767 1.00 0.00 WAT1 ATOM 5839 H2 TIP3 1444 -1.217 38.294 -5.764 1.00 0.00 WAT1 ATOM 5840 OH2 TIP3 1445 -4.030 48.048 -6.426 1.00 0.00 WAT1 ATOM 5841 H1 TIP3 1445 -4.028 48.876 -6.916 1.00 0.00 WAT1 ATOM 5842 H2 TIP3 1445 -3.110 47.722 -6.502 1.00 0.00 WAT1 ATOM 5843 OH2 TIP3 1446 -4.109 47.041 -2.225 1.00 0.00 WAT1 ATOM 5844 H1 TIP3 1446 -4.056 47.794 -1.606 1.00 0.00 WAT1 ATOM 5845 H2 TIP3 1446 -3.339 46.477 -1.974 1.00 0.00 WAT1 ATOM 5846 OH2 TIP3 1447 -1.947 45.666 -1.401 1.00 0.00 WAT1 ATOM 5847 H1 TIP3 1447 -1.111 45.666 -1.917 1.00 0.00 WAT1 ATOM 5848 H2 TIP3 1447 -1.677 45.361 -0.515 1.00 0.00 WAT1 ATOM 5849 OH2 TIP3 1448 -1.223 44.768 1.099 1.00 0.00 WAT1 ATOM 5850 H1 TIP3 1448 -0.410 44.214 1.062 1.00 0.00 WAT1 ATOM 5851 H2 TIP3 1448 -1.603 44.573 1.987 1.00 0.00 WAT1 ATOM 5852 OH2 TIP3 1449 3.235 32.069 0.701 1.00 0.00 WAT1 ATOM 5853 H1 TIP3 1449 3.300 31.650 1.583 1.00 0.00 WAT1 ATOM 5854 H2 TIP3 1449 3.631 32.942 0.824 1.00 0.00 WAT1 ATOM 5855 OH2 TIP3 1450 -1.670 32.740 -8.934 1.00 0.00 WAT1 ATOM 5856 H1 TIP3 1450 -0.693 32.832 -8.819 1.00 0.00 WAT1 ATOM 5857 H2 TIP3 1450 -2.040 33.380 -8.301 1.00 0.00 WAT1 ATOM 5858 OH2 TIP3 1451 1.237 31.614 -3.835 1.00 0.00 WAT1 ATOM 5859 H1 TIP3 1451 1.670 30.759 -3.669 1.00 0.00 WAT1 ATOM 5860 H2 TIP3 1451 1.438 32.144 -3.035 1.00 0.00 WAT1 ATOM 5861 OH2 TIP3 1452 -1.455 47.011 -6.689 1.00 0.00 WAT1 ATOM 5862 H1 TIP3 1452 -1.387 46.323 -7.361 1.00 0.00 WAT1 ATOM 5863 H2 TIP3 1452 -1.620 46.512 -5.852 1.00 0.00 WAT1 ATOM 5864 OH2 TIP3 1453 -2.053 34.191 -6.478 1.00 0.00 WAT1 ATOM 5865 H1 TIP3 1453 -1.439 33.438 -6.311 1.00 0.00 WAT1 ATOM 5866 H2 TIP3 1453 -2.410 34.406 -5.584 1.00 0.00 WAT1 ATOM 5867 OH2 TIP3 1454 0.512 31.417 8.837 1.00 0.00 WAT1 ATOM 5868 H1 TIP3 1454 0.731 32.373 8.896 1.00 0.00 WAT1 ATOM 5869 H2 TIP3 1454 0.880 31.145 7.972 1.00 0.00 WAT1 ATOM 5870 OH2 TIP3 1455 -2.837 34.705 13.426 1.00 0.00 WAT1 ATOM 5871 H1 TIP3 1455 -3.337 34.168 14.075 1.00 0.00 WAT1 ATOM 5872 H2 TIP3 1455 -3.521 35.253 12.994 1.00 0.00 WAT1 ATOM 5873 OH2 TIP3 1456 5.343 37.303 9.267 1.00 0.00 WAT1 ATOM 5874 H1 TIP3 1456 6.056 37.420 9.904 1.00 0.00 WAT1 ATOM 5875 H2 TIP3 1456 4.540 37.623 9.744 1.00 0.00 WAT1 ATOM 5876 OH2 TIP3 1457 -1.550 32.525 16.515 1.00 0.00 WAT1 ATOM 5877 H1 TIP3 1457 -1.824 31.991 15.750 1.00 0.00 WAT1 ATOM 5878 H2 TIP3 1457 -0.765 33.027 16.187 1.00 0.00 WAT1 ATOM 5879 OH2 TIP3 1458 -0.008 36.400 13.534 1.00 0.00 WAT1 ATOM 5880 H1 TIP3 1458 0.267 35.886 12.747 1.00 0.00 WAT1 ATOM 5881 H2 TIP3 1458 -0.347 35.732 14.148 1.00 0.00 WAT1 ATOM 5882 OH2 TIP3 1459 3.186 38.277 10.642 1.00 0.00 WAT1 ATOM 5883 H1 TIP3 1459 2.265 38.165 10.337 1.00 0.00 WAT1 ATOM 5884 H2 TIP3 1459 3.115 38.220 11.621 1.00 0.00 WAT1 ATOM 5885 OH2 TIP3 1460 2.315 37.998 13.279 1.00 0.00 WAT1 ATOM 5886 H1 TIP3 1460 2.374 38.444 14.127 1.00 0.00 WAT1 ATOM 5887 H2 TIP3 1460 1.475 37.499 13.328 1.00 0.00 WAT1 ATOM 5888 OH2 TIP3 1461 -2.085 37.060 11.539 1.00 0.00 WAT1 ATOM 5889 H1 TIP3 1461 -3.029 37.028 11.791 1.00 0.00 WAT1 ATOM 5890 H2 TIP3 1461 -1.607 36.977 12.386 1.00 0.00 WAT1 ATOM 5891 OH2 TIP3 1462 1.877 33.714 13.164 1.00 0.00 WAT1 ATOM 5892 H1 TIP3 1462 1.595 34.285 12.417 1.00 0.00 WAT1 ATOM 5893 H2 TIP3 1462 2.485 33.086 12.763 1.00 0.00 WAT1 ATOM 5894 OH2 TIP3 1463 0.869 35.279 11.137 1.00 0.00 WAT1 ATOM 5895 H1 TIP3 1463 0.846 34.748 10.310 1.00 0.00 WAT1 ATOM 5896 H2 TIP3 1463 0.828 36.211 10.821 1.00 0.00 WAT1 ATOM 5897 OH2 TIP3 1464 0.632 33.884 15.568 1.00 0.00 WAT1 ATOM 5898 H1 TIP3 1464 1.312 34.317 16.090 1.00 0.00 WAT1 ATOM 5899 H2 TIP3 1464 1.057 33.746 14.688 1.00 0.00 WAT1 END