REMARK FILENAME="/farm/data/gliu/projects/HR4394/cns/calc26c/refinedPDB_w/res" REMARK =============================================================== REMARK overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih REMARK energies: -1963.89, 114.967, 163.878, 69.7367, 690.139, -709.176, -2305.1, 9.85481, 1.81046 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 6.867051E-03,0.494394,1.20039,42.5725,6.567212E-03,0.40079 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 75, 16 REMARK =============================================================== REMARK DATE:10-Jun-2009 12:13:31 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 14.794 -22.121 6.885 1.00 64.34 ATOM 2 CB MET 1 14.820 -21.380 8.905 1.00 12.41 ATOM 3 HB1 MET 1 14.414 -20.531 9.441 1.00 37.49 ATOM 4 HB2 MET 1 15.894 -21.385 9.027 1.00 55.53 ATOM 5 CG MET 1 14.265 -22.651 9.539 1.00 11.41 ATOM 6 HG1 MET 1 14.740 -23.505 9.076 1.00 37.49 ATOM 7 HG2 MET 1 13.200 -22.694 9.363 1.00 54.15 ATOM 8 SD MET 1 14.553 -22.726 11.318 1.00 72.12 ATOM 9 CE MET 1 16.346 -22.649 11.379 1.00 23.41 ATOM 10 HE1 MET 1 16.674 -22.693 12.408 1.00 13.55 ATOM 11 HE2 MET 1 16.685 -21.725 10.934 1.00 43.34 ATOM 12 HE3 MET 1 16.761 -23.485 10.833 1.00 45.30 ATOM 13 C MET 1 12.981 -21.025 7.219 1.00 72.22 ATOM 14 O MET 1 12.518 -19.902 7.022 1.00 64.45 ATOM 15 N MET 1 15.255 -20.079 6.843 1.00 50.32 ATOM 16 HT1 MET 1 16.278 -20.235 6.959 1.00 37.49 ATOM 17 HT2 MET 1 14.995 -19.195 7.328 1.00 37.49 ATOM 18 HT3 MET 1 15.046 -19.975 5.829 1.00 37.49 ATOM 19 CA MET 1 14.493 -21.225 7.411 1.00 32.13 ATOM 20 N GLY 2 12.219 -22.117 7.275 1.00 42.02 ATOM 21 HN GLY 2 12.647 -22.990 7.406 1.00 37.49 ATOM 22 CA GLY 2 10.768 -22.043 7.105 1.00 32.21 ATOM 23 HA1 GLY 2 10.376 -23.050 7.078 1.00 37.49 ATOM 24 HA2 GLY 2 10.557 -21.570 6.156 1.00 54.12 ATOM 25 C GLY 2 10.042 -21.264 8.208 1.00 30.21 ATOM 26 O GLY 2 9.436 -21.853 9.101 1.00 62.25 ATOM 27 N HIS 3 10.112 -19.935 8.145 1.00 40.42 ATOM 28 HN HIS 3 10.687 -19.526 7.461 1.00 37.49 ATOM 29 CA HIS 3 9.365 -19.061 9.061 1.00 35.03 ATOM 30 HA HIS 3 8.573 -19.650 9.507 1.00 21.43 ATOM 31 CB HIS 3 10.278 -18.527 10.179 1.00 22.11 ATOM 32 HB1 HIS 3 9.727 -17.817 10.782 1.00 37.49 ATOM 33 HB2 HIS 3 11.128 -18.029 9.736 1.00 74.14 ATOM 34 CG HIS 3 10.797 -19.598 11.092 1.00 32.14 ATOM 35 ND1 HIS 3 10.041 -20.160 12.097 1.00 53.05 ATOM 36 HD1 HIS 3 9.122 -19.907 12.334 1.00 25.13 ATOM 37 CD2 HIS 3 11.998 -20.222 11.140 1.00 50.24 ATOM 38 HD2 HIS 3 12.845 -20.034 10.494 1.00 10.33 ATOM 39 CE1 HIS 3 10.747 -21.078 12.719 1.00 74.55 ATOM 40 HE1 HIS 3 10.406 -21.683 13.547 1.00 54.52 ATOM 41 NE2 HIS 3 11.941 -21.139 12.162 1.00 63.14 ATOM 42 HE2 HIS 3 12.722 -21.568 12.575 1.00 37.49 ATOM 43 C HIS 3 8.727 -17.897 8.286 1.00 21.34 ATOM 44 O HIS 3 9.356 -16.859 8.067 1.00 20.44 ATOM 45 N HIS 4 7.480 -18.096 7.863 1.00 72.53 ATOM 46 HN HIS 4 7.013 -18.911 8.139 1.00 37.49 ATOM 47 CA HIS 4 6.778 -17.141 6.997 1.00 2.44 ATOM 48 HA HIS 4 6.972 -16.142 7.362 1.00 55.10 ATOM 49 CB HIS 4 7.321 -17.279 5.561 1.00 11.01 ATOM 50 HB1 HIS 4 7.054 -18.256 5.181 1.00 37.49 ATOM 51 HB2 HIS 4 8.397 -17.201 5.588 1.00 31.35 ATOM 52 CG HIS 4 6.820 -16.255 4.581 1.00 51.42 ATOM 53 ND1 HIS 4 7.505 -15.096 4.292 1.00 11.54 ATOM 54 HD1 HIS 4 8.343 -14.805 4.713 1.00 31.14 ATOM 55 CD2 HIS 4 5.720 -16.239 3.786 1.00 53.33 ATOM 56 HD2 HIS 4 4.948 -16.996 3.745 1.00 23.22 ATOM 57 CE1 HIS 4 6.857 -14.418 3.367 1.00 44.22 ATOM 58 HE1 HIS 4 7.167 -13.475 2.943 1.00 13.41 ATOM 59 NE2 HIS 4 5.772 -15.087 3.042 1.00 40.43 ATOM 60 HE2 HIS 4 5.219 -14.900 2.254 1.00 37.49 ATOM 61 C HIS 4 5.260 -17.407 7.032 1.00 2.43 ATOM 62 O HIS 4 4.823 -18.495 7.415 1.00 30.02 ATOM 63 N HIS 5 4.461 -16.409 6.649 1.00 24.44 ATOM 64 HN HIS 5 4.857 -15.536 6.437 1.00 37.49 ATOM 65 CA HIS 5 3.001 -16.567 6.565 1.00 11.14 ATOM 66 HA HIS 5 2.627 -16.708 7.569 1.00 61.51 ATOM 67 CB HIS 5 2.373 -15.294 5.977 1.00 14.53 ATOM 68 HB1 HIS 5 2.836 -15.083 5.023 1.00 37.49 ATOM 69 HB2 HIS 5 2.557 -14.468 6.647 1.00 14.43 ATOM 70 CG HIS 5 0.891 -15.388 5.757 1.00 62.13 ATOM 71 ND1 HIS 5 0.339 -15.717 4.540 1.00 63.14 ATOM 72 HD1 HIS 5 0.838 -15.917 3.721 1.00 33.45 ATOM 73 CD2 HIS 5 -0.155 -15.192 6.599 1.00 32.11 ATOM 74 HD2 HIS 5 -0.099 -14.924 7.644 1.00 74.15 ATOM 75 CE1 HIS 5 -0.973 -15.717 4.636 1.00 35.43 ATOM 76 HE1 HIS 5 -1.664 -15.941 3.837 1.00 61.44 ATOM 77 NE2 HIS 5 -1.297 -15.405 5.871 1.00 22.55 ATOM 78 HE2 HIS 5 -2.216 -15.266 6.193 1.00 37.49 ATOM 79 C HIS 5 2.610 -17.792 5.711 1.00 71.02 ATOM 80 O HIS 5 3.018 -17.904 4.553 1.00 64.12 ATOM 81 N HIS 6 1.822 -18.702 6.292 1.00 10.13 ATOM 82 HN HIS 6 1.545 -18.564 7.224 1.00 37.49 ATOM 83 CA HIS 6 1.371 -19.909 5.579 1.00 11.53 ATOM 84 HA HIS 6 2.247 -20.491 5.325 1.00 62.52 ATOM 85 CB HIS 6 0.448 -20.762 6.468 1.00 24.43 ATOM 86 HB1 HIS 6 0.219 -21.684 5.950 1.00 37.49 ATOM 87 HB2 HIS 6 -0.471 -20.221 6.636 1.00 74.11 ATOM 88 CG HIS 6 1.014 -21.121 7.813 1.00 3.42 ATOM 89 ND1 HIS 6 0.285 -21.021 8.979 1.00 65.21 ATOM 90 HD1 HIS 6 -0.646 -20.711 9.050 1.00 41.45 ATOM 91 CD2 HIS 6 2.229 -21.603 8.177 1.00 64.24 ATOM 92 HD2 HIS 6 3.063 -21.802 7.520 1.00 61.31 ATOM 93 CE1 HIS 6 1.020 -21.418 9.996 1.00 23.23 ATOM 94 HE1 HIS 6 0.708 -21.439 11.030 1.00 3.15 ATOM 95 NE2 HIS 6 2.203 -21.778 9.543 1.00 41.44 ATOM 96 HE2 HIS 6 2.990 -21.927 10.111 1.00 37.49 ATOM 97 C HIS 6 0.615 -19.551 4.283 1.00 44.43 ATOM 98 O HIS 6 -0.299 -18.723 4.297 1.00 22.14 ATOM 99 N HIS 7 0.998 -20.177 3.168 1.00 32.44 ATOM 100 HN HIS 7 1.758 -20.795 3.206 1.00 37.49 ATOM 101 CA HIS 7 0.305 -19.975 1.887 1.00 35.11 ATOM 102 HA HIS 7 -0.758 -19.989 2.086 1.00 64.12 ATOM 103 CB HIS 7 0.669 -18.615 1.270 1.00 20.25 ATOM 104 HB1 HIS 7 0.489 -17.839 1.999 1.00 37.49 ATOM 105 HB2 HIS 7 0.041 -18.440 0.409 1.00 51.35 ATOM 106 CG HIS 7 2.096 -18.504 0.821 1.00 33.12 ATOM 107 ND1 HIS 7 2.516 -18.879 -0.438 1.00 65.20 ATOM 108 HD1 HIS 7 1.947 -19.249 -1.147 1.00 43.12 ATOM 109 CD2 HIS 7 3.198 -18.044 1.458 1.00 43.12 ATOM 110 HD2 HIS 7 3.243 -17.662 2.470 1.00 3.45 ATOM 111 CE1 HIS 7 3.809 -18.657 -0.553 1.00 35.54 ATOM 112 HE1 HIS 7 4.407 -18.854 -1.430 1.00 71.22 ATOM 113 NE2 HIS 7 4.249 -18.149 0.580 1.00 61.01 ATOM 114 HE2 HIS 7 5.120 -17.709 0.689 1.00 37.49 ATOM 115 C HIS 7 0.622 -21.099 0.892 1.00 12.30 ATOM 116 O HIS 7 1.542 -21.890 1.100 1.00 54.44 ATOM 117 N HIS 8 -0.138 -21.153 -0.198 1.00 40.23 ATOM 118 HN HIS 8 -0.848 -20.485 -0.314 1.00 37.49 ATOM 119 CA HIS 8 0.049 -22.173 -1.236 1.00 44.43 ATOM 120 HA HIS 8 0.848 -22.829 -0.919 1.00 52.31 ATOM 121 CB HIS 8 -1.237 -22.998 -1.387 1.00 45.32 ATOM 122 HB1 HIS 8 -1.115 -23.701 -2.200 1.00 37.49 ATOM 123 HB2 HIS 8 -2.060 -22.335 -1.613 1.00 14.13 ATOM 124 CG HIS 8 -1.595 -23.774 -0.154 1.00 11.33 ATOM 125 ND1 HIS 8 -2.452 -23.301 0.816 1.00 61.03 ATOM 126 HD1 HIS 8 -2.920 -22.440 0.799 1.00 35.53 ATOM 127 CD2 HIS 8 -1.197 -24.998 0.271 1.00 45.14 ATOM 128 HD2 HIS 8 -0.517 -25.664 -0.242 1.00 34.35 ATOM 129 CE1 HIS 8 -2.563 -24.192 1.780 1.00 44.22 ATOM 130 HE1 HIS 8 -3.165 -24.087 2.671 1.00 52.24 ATOM 131 NE2 HIS 8 -1.813 -25.231 1.475 1.00 53.25 ATOM 132 HE2 HIS 8 -1.863 -26.104 1.922 1.00 37.49 ATOM 133 C HIS 8 0.446 -21.535 -2.581 1.00 24.52 ATOM 134 O HIS 8 0.754 -20.343 -2.648 1.00 22.04 ATOM 135 N SER 9 0.456 -22.341 -3.643 1.00 14.52 ATOM 136 HN SER 9 0.219 -23.287 -3.523 1.00 37.49 ATOM 137 CA SER 9 0.808 -21.863 -4.992 1.00 1.23 ATOM 138 HA SER 9 0.507 -20.827 -5.071 1.00 63.41 ATOM 139 CB SER 9 2.327 -21.965 -5.213 1.00 3.11 ATOM 140 HB1 SER 9 2.631 -22.999 -5.137 1.00 37.49 ATOM 141 HB2 SER 9 2.837 -21.387 -4.456 1.00 75.32 ATOM 142 OG SER 9 2.705 -21.470 -6.490 1.00 63.23 ATOM 143 HG SER 9 2.689 -20.504 -6.474 1.00 13.14 ATOM 144 C SER 9 0.062 -22.674 -6.063 1.00 14.03 ATOM 145 O SER 9 -0.784 -23.506 -5.733 1.00 61.11 ATOM 146 N HIS 10 0.365 -22.441 -7.340 1.00 15.21 ATOM 147 HN HIS 10 1.057 -21.775 -7.556 1.00 37.49 ATOM 148 CA HIS 10 -0.298 -23.177 -8.427 1.00 40.44 ATOM 149 HA HIS 10 -0.579 -24.144 -8.029 1.00 4.20 ATOM 150 CB HIS 10 -1.582 -22.452 -8.875 1.00 71.44 ATOM 151 HB1 HIS 10 -2.288 -22.453 -8.056 1.00 37.49 ATOM 152 HB2 HIS 10 -2.014 -22.986 -9.708 1.00 13.43 ATOM 153 CG HIS 10 -1.378 -21.027 -9.303 1.00 22.12 ATOM 154 ND1 HIS 10 -1.339 -20.637 -10.626 1.00 22.14 ATOM 155 HD1 HIS 10 -1.437 -21.232 -11.403 1.00 4.42 ATOM 156 CD2 HIS 10 -1.217 -19.893 -8.578 1.00 71.23 ATOM 157 HD2 HIS 10 -1.194 -19.818 -7.500 1.00 22.43 ATOM 158 CE1 HIS 10 -1.160 -19.334 -10.696 1.00 74.44 ATOM 159 HE1 HIS 10 -1.091 -18.752 -11.603 1.00 62.24 ATOM 160 NE2 HIS 10 -1.084 -18.860 -9.471 1.00 40.51 ATOM 161 HE2 HIS 10 -0.905 -17.922 -9.240 1.00 37.49 ATOM 162 C HIS 10 0.645 -23.416 -9.622 1.00 64.02 ATOM 163 O HIS 10 0.858 -22.533 -10.458 1.00 62.11 ATOM 164 N MET 11 1.231 -24.614 -9.671 1.00 24.24 ATOM 165 HN MET 11 1.054 -25.251 -8.945 1.00 37.49 ATOM 166 CA MET 11 2.123 -25.029 -10.768 1.00 31.34 ATOM 167 HA MET 11 1.814 -24.512 -11.667 1.00 4.35 ATOM 168 CB MET 11 3.589 -24.667 -10.452 1.00 13.21 ATOM 169 HB1 MET 11 4.226 -25.111 -11.204 1.00 37.49 ATOM 170 HB2 MET 11 3.848 -25.084 -9.489 1.00 34.10 ATOM 171 CG MET 11 3.880 -23.172 -10.410 1.00 30.45 ATOM 172 HG1 MET 11 3.313 -22.729 -9.603 1.00 37.49 ATOM 173 HG2 MET 11 3.573 -22.730 -11.347 1.00 11.12 ATOM 174 SD MET 11 5.630 -22.815 -10.149 1.00 12.13 ATOM 175 CE MET 11 6.362 -23.585 -11.596 1.00 2.13 ATOM 176 HE1 MET 11 6.160 -24.646 -11.579 1.00 54.14 ATOM 177 HE2 MET 11 7.429 -23.422 -11.588 1.00 43.50 ATOM 178 HE3 MET 11 5.938 -23.151 -12.490 1.00 1.40 ATOM 179 C MET 11 2.019 -26.550 -11.007 1.00 13.43 ATOM 180 O MET 11 1.507 -27.278 -10.157 1.00 71.04 ATOM 181 N PRO 12 2.486 -27.054 -12.169 1.00 74.43 ATOM 182 CA PRO 12 2.588 -28.506 -12.426 1.00 42.24 ATOM 183 HA PRO 12 1.674 -29.018 -12.156 1.00 75.42 ATOM 184 CB PRO 12 2.800 -28.589 -13.957 1.00 52.53 ATOM 185 HB1 PRO 12 2.091 -29.285 -14.382 1.00 37.49 ATOM 186 HB2 PRO 12 3.806 -28.928 -14.169 1.00 44.53 ATOM 187 CG PRO 12 2.575 -27.201 -14.476 1.00 34.10 ATOM 188 HG1 PRO 12 1.541 -27.080 -14.765 1.00 37.49 ATOM 189 HG2 PRO 12 3.225 -27.014 -15.318 1.00 54.23 ATOM 190 CD PRO 12 2.910 -26.276 -13.341 1.00 65.33 ATOM 191 HD1 PRO 12 2.349 -25.356 -13.421 1.00 37.49 ATOM 192 HD2 PRO 12 3.974 -26.073 -13.312 1.00 31.11 ATOM 193 C PRO 12 3.772 -29.150 -11.671 1.00 71.22 ATOM 194 O PRO 12 4.623 -29.811 -12.272 1.00 24.21 ATOM 195 N ASP 13 3.796 -28.975 -10.345 1.00 20.12 ATOM 196 HN ASP 13 3.037 -28.526 -9.916 1.00 37.49 ATOM 197 CA ASP 13 4.909 -29.437 -9.504 1.00 21.03 ATOM 198 HA ASP 13 5.822 -29.055 -9.937 1.00 41.41 ATOM 199 CB ASP 13 4.764 -28.864 -8.088 1.00 42.25 ATOM 200 HB1 ASP 13 4.779 -27.784 -8.141 1.00 37.49 ATOM 201 HB2 ASP 13 5.596 -29.198 -7.483 1.00 21.23 ATOM 202 CG ASP 13 3.470 -29.298 -7.414 1.00 74.02 ATOM 203 OD1 ASP 13 3.512 -30.195 -6.548 1.00 22.14 ATOM 204 OD2 ASP 13 2.402 -28.749 -7.758 1.00 4.55 ATOM 205 C ASP 13 5.004 -30.973 -9.446 1.00 72.34 ATOM 206 O ASP 13 6.080 -31.526 -9.212 1.00 51.24 ATOM 207 N HIS 14 3.878 -31.652 -9.653 1.00 3.44 ATOM 208 HN HIS 14 3.049 -31.153 -9.823 1.00 37.49 ATOM 209 CA HIS 14 3.840 -33.120 -9.634 1.00 21.40 ATOM 210 HA HIS 14 4.275 -33.447 -8.699 1.00 41.13 ATOM 211 CB HIS 14 2.388 -33.615 -9.702 1.00 41.32 ATOM 212 HB1 HIS 14 2.382 -34.653 -10.004 1.00 37.49 ATOM 213 HB2 HIS 14 1.851 -33.033 -10.437 1.00 23.22 ATOM 214 CG HIS 14 1.639 -33.512 -8.407 1.00 75.00 ATOM 215 ND1 HIS 14 1.161 -34.614 -7.735 1.00 5.10 ATOM 216 HD1 HIS 14 1.271 -35.552 -8.018 1.00 52.21 ATOM 217 CD2 HIS 14 1.267 -32.440 -7.671 1.00 63.24 ATOM 218 HD2 HIS 14 1.475 -31.403 -7.895 1.00 3.34 ATOM 219 CE1 HIS 14 0.529 -34.227 -6.648 1.00 34.45 ATOM 220 HE1 HIS 14 0.049 -34.878 -5.930 1.00 32.54 ATOM 221 NE2 HIS 14 0.575 -32.914 -6.584 1.00 45.15 ATOM 222 HE2 HIS 14 0.021 -32.366 -5.987 1.00 37.49 ATOM 223 C HIS 14 4.644 -33.738 -10.791 1.00 54.34 ATOM 224 O HIS 14 4.919 -33.084 -11.798 1.00 30.34 ATOM 225 N GLY 15 5.026 -35.002 -10.625 1.00 4.33 ATOM 226 HN GLY 15 4.895 -35.425 -9.750 1.00 37.49 ATOM 227 CA GLY 15 5.650 -35.765 -11.709 1.00 52.21 ATOM 228 HA1 GLY 15 6.612 -36.126 -11.372 1.00 37.49 ATOM 229 HA2 GLY 15 5.799 -35.120 -12.563 1.00 31.10 ATOM 230 C GLY 15 4.793 -36.958 -12.128 1.00 2.05 ATOM 231 O GLY 15 5.032 -37.595 -13.156 1.00 53.01 ATOM 232 N ASP 16 3.769 -37.228 -11.326 1.00 33.12 ATOM 233 HN ASP 16 3.621 -36.641 -10.555 1.00 37.49 ATOM 234 CA ASP 16 2.850 -38.361 -11.521 1.00 63.03 ATOM 235 HA ASP 16 3.437 -39.220 -11.811 1.00 32.44 ATOM 236 CB ASP 16 2.167 -38.662 -10.177 1.00 51.42 ATOM 237 HB1 ASP 16 2.856 -39.204 -9.544 1.00 37.49 ATOM 238 HB2 ASP 16 1.290 -39.271 -10.348 1.00 12.21 ATOM 239 CG ASP 16 1.746 -37.390 -9.452 1.00 73.10 ATOM 240 OD1 ASP 16 2.609 -36.763 -8.802 1.00 40.21 ATOM 241 OD2 ASP 16 0.565 -36.995 -9.540 1.00 34.10 ATOM 242 C ASP 16 1.791 -38.091 -12.616 1.00 15.43 ATOM 243 O ASP 16 0.638 -38.511 -12.500 1.00 1.31 ATOM 244 N TRP 17 2.197 -37.430 -13.700 1.00 22.13 ATOM 245 HN TRP 17 3.139 -37.173 -13.771 1.00 37.49 ATOM 246 CA TRP 17 1.272 -37.084 -14.794 1.00 52.04 ATOM 247 HA TRP 17 0.297 -36.901 -14.363 1.00 63.23 ATOM 248 CB TRP 17 1.743 -35.810 -15.512 1.00 60.52 ATOM 249 HB1 TRP 17 1.024 -35.551 -16.278 1.00 37.49 ATOM 250 HB2 TRP 17 2.698 -36.000 -15.981 1.00 21.45 ATOM 251 CG TRP 17 1.901 -34.623 -14.609 1.00 32.55 ATOM 252 CD1 TRP 17 3.073 -34.042 -14.214 1.00 40.30 ATOM 253 HD1 TRP 17 4.053 -34.383 -14.516 1.00 21.22 ATOM 254 CD2 TRP 17 0.852 -33.869 -13.991 1.00 32.00 ATOM 255 NE1 TRP 17 2.815 -32.975 -13.391 1.00 71.34 ATOM 256 HE1 TRP 17 3.496 -32.400 -12.978 1.00 33.01 ATOM 257 CE2 TRP 17 1.461 -32.850 -13.235 1.00 43.23 ATOM 258 CE3 TRP 17 -0.544 -33.959 -14.000 1.00 11.23 ATOM 259 HE3 TRP 17 -1.052 -34.728 -14.565 1.00 22.41 ATOM 260 CZ2 TRP 17 0.722 -31.926 -12.502 1.00 52.51 ATOM 261 HZ2 TRP 17 1.196 -31.147 -11.925 1.00 2.10 ATOM 262 CZ3 TRP 17 -1.275 -33.042 -13.269 1.00 34.01 ATOM 263 HZ3 TRP 17 -2.355 -33.097 -13.263 1.00 64.04 ATOM 264 CH2 TRP 17 -0.640 -32.038 -12.527 1.00 1.30 ATOM 265 HH2 TRP 17 -1.251 -31.342 -11.968 1.00 14.23 ATOM 266 C TRP 17 1.150 -38.218 -15.827 1.00 32.03 ATOM 267 O TRP 17 0.475 -38.068 -16.849 1.00 64.30 ATOM 268 N THR 18 1.801 -39.346 -15.567 1.00 43.44 ATOM 269 HN THR 18 2.255 -39.447 -14.705 1.00 37.49 ATOM 270 CA THR 18 1.852 -40.453 -16.533 1.00 61.15 ATOM 271 HA THR 18 1.588 -40.060 -17.506 1.00 61.11 ATOM 272 CB THR 18 3.279 -41.047 -16.628 1.00 42.04 ATOM 273 HB THR 18 3.291 -41.800 -17.405 1.00 54.24 ATOM 274 OG1 THR 18 3.641 -41.657 -15.382 1.00 75.01 ATOM 275 HG1 THR 18 4.540 -42.012 -15.442 1.00 42.55 ATOM 276 CG2 THR 18 4.298 -39.966 -16.981 1.00 13.05 ATOM 277 HG21 THR 18 4.303 -39.209 -16.211 1.00 53.10 ATOM 278 HG22 THR 18 4.035 -39.515 -17.928 1.00 63.21 ATOM 279 HG23 THR 18 5.281 -40.408 -17.056 1.00 75.10 ATOM 280 C THR 18 0.876 -41.585 -16.180 1.00 74.50 ATOM 281 O THR 18 0.263 -41.595 -15.111 1.00 2.11 ATOM 282 N TYR 19 0.734 -42.532 -17.106 1.00 11.12 ATOM 283 HN TYR 19 1.182 -42.409 -17.970 1.00 37.49 ATOM 284 CA TYR 19 -0.095 -43.732 -16.907 1.00 13.52 ATOM 285 HA TYR 19 -1.096 -43.409 -16.666 1.00 40.13 ATOM 286 CB TYR 19 -0.133 -44.545 -18.208 1.00 44.01 ATOM 287 HB1 TYR 19 -0.522 -43.922 -19.001 1.00 37.49 ATOM 288 HB2 TYR 19 -0.790 -45.395 -18.076 1.00 72.24 ATOM 289 CG TYR 19 1.231 -45.066 -18.648 1.00 75.12 ATOM 290 CD1 TYR 19 1.553 -46.418 -18.551 1.00 41.13 ATOM 291 HD1 TYR 19 0.817 -47.106 -18.161 1.00 70.03 ATOM 292 CD2 TYR 19 2.198 -44.203 -19.155 1.00 3.13 ATOM 293 HD2 TYR 19 1.970 -43.150 -19.237 1.00 71.33 ATOM 294 CE1 TYR 19 2.793 -46.888 -18.945 1.00 11.23 ATOM 295 HE1 TYR 19 3.024 -47.940 -18.862 1.00 55.21 ATOM 296 CE2 TYR 19 3.436 -44.667 -19.550 1.00 25.13 ATOM 297 HE2 TYR 19 4.170 -43.976 -19.941 1.00 14.44 ATOM 298 CZ TYR 19 3.730 -46.007 -19.444 1.00 1.35 ATOM 299 OH TYR 19 4.970 -46.466 -19.839 1.00 23.01 ATOM 300 HH TYR 19 4.861 -47.252 -20.391 1.00 4.14 ATOM 301 C TYR 19 0.432 -44.618 -15.763 1.00 63.32 ATOM 302 O TYR 19 -0.283 -45.485 -15.251 1.00 31.42 ATOM 303 N GLU 20 1.682 -44.395 -15.374 1.00 44.21 ATOM 304 HN GLU 20 2.181 -43.661 -15.786 1.00 37.49 ATOM 305 CA GLU 20 2.333 -45.196 -14.336 1.00 43.15 ATOM 306 HA GLU 20 2.214 -46.238 -14.604 1.00 24.30 ATOM 307 CB GLU 20 3.831 -44.860 -14.310 1.00 15.51 ATOM 308 HB1 GLU 20 4.328 -45.514 -13.607 1.00 37.49 ATOM 309 HB2 GLU 20 3.956 -43.834 -13.992 1.00 21.13 ATOM 310 CG GLU 20 4.492 -45.030 -15.679 1.00 1.12 ATOM 311 HG1 GLU 20 3.908 -44.488 -16.412 1.00 37.49 ATOM 312 HG2 GLU 20 4.488 -46.080 -15.935 1.00 52.34 ATOM 313 CD GLU 20 5.926 -44.522 -15.735 1.00 4.21 ATOM 314 OE1 GLU 20 6.854 -45.352 -15.861 1.00 53.42 ATOM 315 OE2 GLU 20 6.125 -43.287 -15.684 1.00 24.14 ATOM 316 C GLU 20 1.671 -44.960 -12.967 1.00 62.42 ATOM 317 O GLU 20 1.897 -43.940 -12.314 1.00 71.15 ATOM 318 N GLU 21 0.828 -45.909 -12.560 1.00 1.40 ATOM 319 HN GLU 21 0.750 -46.729 -13.092 1.00 37.49 ATOM 320 CA GLU 21 0.003 -45.763 -11.354 1.00 42.25 ATOM 321 HA GLU 21 -0.512 -44.814 -11.427 1.00 50.01 ATOM 322 CB GLU 21 -1.047 -46.883 -11.309 1.00 64.33 ATOM 323 HB1 GLU 21 -0.544 -47.824 -11.130 1.00 37.49 ATOM 324 HB2 GLU 21 -1.541 -46.931 -12.270 1.00 72.51 ATOM 325 CG GLU 21 -2.114 -46.699 -10.233 1.00 11.10 ATOM 326 HG1 GLU 21 -2.527 -45.703 -10.317 1.00 37.49 ATOM 327 HG2 GLU 21 -1.651 -46.813 -9.263 1.00 44.42 ATOM 328 CD GLU 21 -3.248 -47.706 -10.357 1.00 35.33 ATOM 329 OE1 GLU 21 -3.865 -47.780 -11.441 1.00 32.24 ATOM 330 OE2 GLU 21 -3.541 -48.419 -9.374 1.00 13.12 ATOM 331 C GLU 21 0.845 -45.761 -10.064 1.00 43.23 ATOM 332 O GLU 21 0.724 -44.854 -9.235 1.00 71.32 ATOM 333 N GLN 22 1.689 -46.780 -9.889 1.00 21.14 ATOM 334 HN GLN 22 1.728 -47.489 -10.559 1.00 37.49 ATOM 335 CA GLN 22 2.570 -46.849 -8.716 1.00 73.45 ATOM 336 HA GLN 22 2.094 -46.278 -7.927 1.00 65.10 ATOM 337 CB GLN 22 2.730 -48.305 -8.227 1.00 0.42 ATOM 338 HB1 GLN 22 1.752 -48.679 -7.956 1.00 37.49 ATOM 339 HB2 GLN 22 3.349 -48.301 -7.342 1.00 1.34 ATOM 340 CG GLN 22 3.349 -49.284 -9.234 1.00 52.12 ATOM 341 HG1 GLN 22 3.350 -48.827 -10.212 1.00 37.49 ATOM 342 HG2 GLN 22 2.745 -50.180 -9.263 1.00 13.22 ATOM 343 CD GLN 22 4.778 -49.680 -8.880 1.00 60.13 ATOM 344 OE1 GLN 22 5.740 -49.075 -9.334 1.00 51.21 ATOM 345 NE2 GLN 22 4.925 -50.692 -8.044 1.00 30.51 ATOM 346 HE21 GLN 22 4.117 -51.130 -7.697 1.00 64.10 ATOM 347 HE22 GLN 22 5.835 -50.950 -7.793 1.00 52.14 ATOM 348 C GLN 22 3.929 -46.195 -9.014 1.00 11.01 ATOM 349 O GLN 22 4.638 -46.582 -9.943 1.00 74.15 ATOM 350 N PHE 23 4.271 -45.179 -8.228 1.00 30.34 ATOM 351 HN PHE 23 3.678 -44.938 -7.487 1.00 37.49 ATOM 352 CA PHE 23 5.500 -44.410 -8.433 1.00 22.52 ATOM 353 HA PHE 23 5.668 -44.328 -9.499 1.00 74.22 ATOM 354 CB PHE 23 5.307 -43.001 -7.849 1.00 54.13 ATOM 355 HB1 PHE 23 5.423 -43.051 -6.776 1.00 37.49 ATOM 356 HB2 PHE 23 4.304 -42.667 -8.073 1.00 40.55 ATOM 357 CG PHE 23 6.259 -41.955 -8.372 1.00 22.32 ATOM 358 CD1 PHE 23 6.144 -41.485 -9.674 1.00 10.13 ATOM 359 HD1 PHE 23 5.378 -41.893 -10.319 1.00 25.01 ATOM 360 CD2 PHE 23 7.247 -41.420 -7.557 1.00 74.24 ATOM 361 HD2 PHE 23 7.350 -41.777 -6.543 1.00 23.50 ATOM 362 CE1 PHE 23 6.995 -40.504 -10.150 1.00 54.41 ATOM 363 HE1 PHE 23 6.895 -40.148 -11.166 1.00 51.23 ATOM 364 CE2 PHE 23 8.102 -40.443 -8.032 1.00 35.04 ATOM 365 HE2 PHE 23 8.868 -40.037 -7.386 1.00 50.15 ATOM 366 CZ PHE 23 7.976 -39.983 -9.328 1.00 0.33 ATOM 367 HZ PHE 23 8.640 -39.216 -9.696 1.00 71.13 ATOM 368 C PHE 23 6.705 -45.133 -7.794 1.00 34.20 ATOM 369 O PHE 23 7.080 -44.872 -6.647 1.00 52.52 ATOM 370 N LYS 24 7.295 -46.051 -8.560 1.00 71.34 ATOM 371 HN LYS 24 6.993 -46.144 -9.490 1.00 37.49 ATOM 372 CA LYS 24 8.350 -46.958 -8.070 1.00 65.34 ATOM 373 HA LYS 24 7.938 -47.495 -7.227 1.00 25.52 ATOM 374 CB LYS 24 8.688 -47.983 -9.169 1.00 75.30 ATOM 375 HB1 LYS 24 9.160 -47.464 -9.992 1.00 37.49 ATOM 376 HB2 LYS 24 7.767 -48.425 -9.522 1.00 31.14 ATOM 377 CG LYS 24 9.618 -49.112 -8.720 1.00 15.33 ATOM 378 HG1 LYS 24 9.382 -49.375 -7.697 1.00 37.49 ATOM 379 HG2 LYS 24 10.642 -48.767 -8.773 1.00 33.03 ATOM 380 CD LYS 24 9.469 -50.359 -9.597 1.00 4.44 ATOM 381 HD1 LYS 24 8.456 -50.727 -9.508 1.00 37.49 ATOM 382 HD2 LYS 24 10.155 -51.115 -9.244 1.00 71.31 ATOM 383 CE LYS 24 9.766 -50.085 -11.069 1.00 45.02 ATOM 384 HE1 LYS 24 9.166 -49.249 -11.397 1.00 37.49 ATOM 385 HE2 LYS 24 9.501 -50.959 -11.644 1.00 44.41 ATOM 386 NZ LYS 24 11.198 -49.774 -11.306 1.00 11.43 ATOM 387 HZ1 LYS 24 11.799 -50.488 -10.849 1.00 24.41 ATOM 388 HZ2 LYS 24 11.437 -48.840 -10.917 1.00 54.54 ATOM 389 HZ3 LYS 24 11.403 -49.775 -12.325 1.00 15.04 ATOM 390 C LYS 24 9.623 -46.226 -7.590 1.00 63.35 ATOM 391 O LYS 24 10.489 -46.830 -6.956 1.00 60.54 ATOM 392 N GLN 25 9.731 -44.929 -7.875 1.00 23.35 ATOM 393 HN GLN 25 9.008 -44.490 -8.366 1.00 37.49 ATOM 394 CA GLN 25 10.913 -44.141 -7.481 1.00 51.20 ATOM 395 HA GLN 25 11.745 -44.488 -8.078 1.00 51.12 ATOM 396 CB GLN 25 10.682 -42.655 -7.782 1.00 3.22 ATOM 397 HB1 GLN 25 9.766 -42.344 -7.298 1.00 37.49 ATOM 398 HB2 GLN 25 10.569 -42.530 -8.850 1.00 43.43 ATOM 399 CG GLN 25 11.807 -41.733 -7.310 1.00 43.34 ATOM 400 HG1 GLN 25 11.913 -41.835 -6.239 1.00 37.49 ATOM 401 HG2 GLN 25 11.537 -40.712 -7.541 1.00 14.21 ATOM 402 CD GLN 25 13.147 -42.035 -7.962 1.00 72.52 ATOM 403 OE1 GLN 25 13.478 -41.497 -9.010 1.00 64.13 ATOM 404 NE2 GLN 25 13.935 -42.889 -7.340 1.00 73.32 ATOM 405 HE21 GLN 25 13.624 -43.280 -6.499 1.00 53.02 ATOM 406 HE22 GLN 25 14.801 -43.093 -7.747 1.00 73.33 ATOM 407 C GLN 25 11.274 -44.323 -5.990 1.00 13.12 ATOM 408 O GLN 25 12.443 -44.519 -5.653 1.00 12.40 ATOM 409 N LEU 26 10.280 -44.266 -5.102 1.00 30.45 ATOM 410 HN LEU 26 9.364 -44.105 -5.414 1.00 37.49 ATOM 411 CA LEU 26 10.533 -44.446 -3.661 1.00 41.21 ATOM 412 HA LEU 26 11.240 -43.686 -3.362 1.00 15.00 ATOM 413 CB LEU 26 9.247 -44.268 -2.841 1.00 4.23 ATOM 414 HB1 LEU 26 9.426 -44.648 -1.845 1.00 37.49 ATOM 415 HB2 LEU 26 8.472 -44.869 -3.299 1.00 3.42 ATOM 416 CG LEU 26 8.725 -42.827 -2.716 1.00 14.14 ATOM 417 HG LEU 26 8.367 -42.496 -3.682 1.00 42.11 ATOM 418 CD1 LEU 26 7.553 -42.766 -1.739 1.00 74.25 ATOM 419 HD11 LEU 26 7.872 -43.114 -0.766 1.00 73.45 ATOM 420 HD12 LEU 26 6.751 -43.394 -2.099 1.00 24.00 ATOM 421 HD13 LEU 26 7.201 -41.748 -1.660 1.00 21.31 ATOM 422 CD2 LEU 26 9.839 -41.879 -2.277 1.00 11.21 ATOM 423 HD21 LEU 26 10.247 -42.214 -1.334 1.00 4.22 ATOM 424 HD22 LEU 26 9.439 -40.881 -2.161 1.00 54.40 ATOM 425 HD23 LEU 26 10.619 -41.868 -3.024 1.00 13.22 ATOM 426 C LEU 26 11.154 -45.821 -3.362 1.00 1.11 ATOM 427 O LEU 26 11.959 -45.967 -2.440 1.00 0.12 ATOM 428 N TYR 27 10.780 -46.821 -4.149 1.00 32.30 ATOM 429 HN TYR 27 10.134 -46.646 -4.866 1.00 37.49 ATOM 430 CA TYR 27 11.315 -48.175 -3.993 1.00 73.22 ATOM 431 HA TYR 27 11.257 -48.438 -2.945 1.00 12.02 ATOM 432 CB TYR 27 10.470 -49.169 -4.808 1.00 34.31 ATOM 433 HB1 TYR 27 10.894 -50.159 -4.703 1.00 37.49 ATOM 434 HB2 TYR 27 10.499 -48.883 -5.850 1.00 33.31 ATOM 435 CG TYR 27 9.005 -49.238 -4.388 1.00 44.53 ATOM 436 CD1 TYR 27 8.505 -50.349 -3.718 1.00 13.42 ATOM 437 HD1 TYR 27 9.168 -51.169 -3.498 1.00 20.21 ATOM 438 CD2 TYR 27 8.125 -48.193 -4.660 1.00 25.24 ATOM 439 HD2 TYR 27 8.492 -47.320 -5.182 1.00 65.32 ATOM 440 CE1 TYR 27 7.181 -50.420 -3.332 1.00 1.22 ATOM 441 HE1 TYR 27 6.818 -51.296 -2.814 1.00 0.31 ATOM 442 CE2 TYR 27 6.797 -48.257 -4.276 1.00 32.33 ATOM 443 HE2 TYR 27 6.132 -47.434 -4.495 1.00 14.43 ATOM 444 CZ TYR 27 6.331 -49.371 -3.611 1.00 23.54 ATOM 445 OH TYR 27 5.010 -49.438 -3.225 1.00 2.23 ATOM 446 HH TYR 27 4.959 -49.686 -2.298 1.00 43.20 ATOM 447 C TYR 27 12.787 -48.236 -4.442 1.00 55.32 ATOM 448 O TYR 27 13.590 -48.998 -3.898 1.00 64.45 ATOM 449 N GLU 28 13.134 -47.405 -5.425 1.00 72.12 ATOM 450 HN GLU 28 12.463 -46.777 -5.769 1.00 37.49 ATOM 451 CA GLU 28 14.475 -47.412 -6.027 1.00 65.11 ATOM 452 HA GLU 28 14.961 -48.334 -5.744 1.00 62.51 ATOM 453 CB GLU 28 14.353 -47.374 -7.555 1.00 23.20 ATOM 454 HB1 GLU 28 15.345 -47.415 -7.984 1.00 37.49 ATOM 455 HB2 GLU 28 13.885 -46.442 -7.845 1.00 1.44 ATOM 456 CG GLU 28 13.534 -48.518 -8.139 1.00 33.43 ATOM 457 HG1 GLU 28 12.527 -48.462 -7.748 1.00 37.49 ATOM 458 HG2 GLU 28 13.982 -49.456 -7.836 1.00 65.12 ATOM 459 CD GLU 28 13.470 -48.476 -9.656 1.00 14.25 ATOM 460 OE1 GLU 28 12.596 -47.768 -10.201 1.00 62.14 ATOM 461 OE2 GLU 28 14.289 -49.158 -10.310 1.00 50.03 ATOM 462 C GLU 28 15.356 -46.235 -5.563 1.00 14.30 ATOM 463 O GLU 28 16.374 -45.947 -6.192 1.00 53.23 ATOM 464 N LEU 29 14.985 -45.569 -4.464 1.00 71.43 ATOM 465 HN LEU 29 14.168 -45.840 -3.994 1.00 37.49 ATOM 466 CA LEU 29 15.768 -44.422 -3.955 1.00 40.24 ATOM 467 HA LEU 29 15.670 -43.615 -4.667 1.00 32.14 ATOM 468 CB LEU 29 15.220 -43.959 -2.596 1.00 13.40 ATOM 469 HB1 LEU 29 15.888 -43.206 -2.201 1.00 37.49 ATOM 470 HB2 LEU 29 15.230 -44.806 -1.925 1.00 52.04 ATOM 471 CG LEU 29 13.798 -43.376 -2.612 1.00 3.44 ATOM 472 HG LEU 29 13.124 -44.112 -3.025 1.00 50.11 ATOM 473 CD1 LEU 29 13.324 -43.058 -1.193 1.00 22.54 ATOM 474 HD11 LEU 29 13.971 -42.314 -0.752 1.00 2.12 ATOM 475 HD12 LEU 29 13.351 -43.957 -0.593 1.00 64.30 ATOM 476 HD13 LEU 29 12.311 -42.681 -1.226 1.00 42.51 ATOM 477 CD2 LEU 29 13.732 -42.131 -3.496 1.00 62.25 ATOM 478 HD21 LEU 29 13.997 -42.394 -4.510 1.00 55.52 ATOM 479 HD22 LEU 29 14.422 -41.387 -3.127 1.00 51.43 ATOM 480 HD23 LEU 29 12.728 -41.729 -3.481 1.00 32.23 ATOM 481 C LEU 29 17.259 -44.771 -3.806 1.00 42.52 ATOM 482 O LEU 29 18.130 -44.083 -4.340 1.00 30.34 ATOM 483 N ASP 30 17.537 -45.847 -3.078 1.00 11.53 ATOM 484 HN ASP 30 16.801 -46.327 -2.651 1.00 37.49 ATOM 485 CA ASP 30 18.910 -46.324 -2.877 1.00 51.42 ATOM 486 HA ASP 30 19.581 -45.651 -3.395 1.00 23.21 ATOM 487 CB ASP 30 19.249 -46.312 -1.382 1.00 60.13 ATOM 488 HB1 ASP 30 20.262 -46.668 -1.245 1.00 37.49 ATOM 489 HB2 ASP 30 18.570 -46.972 -0.859 1.00 51.52 ATOM 490 CG ASP 30 19.136 -44.928 -0.771 1.00 10.43 ATOM 491 OD1 ASP 30 20.183 -44.296 -0.520 1.00 70.11 ATOM 492 OD2 ASP 30 17.997 -44.469 -0.539 1.00 51.25 ATOM 493 C ASP 30 19.099 -47.743 -3.442 1.00 60.15 ATOM 494 O ASP 30 20.137 -48.369 -3.229 1.00 65.24 ATOM 495 N GLY 31 18.093 -48.241 -4.167 1.00 73.44 ATOM 496 HN GLY 31 17.359 -47.652 -4.435 1.00 37.49 ATOM 497 CA GLY 31 18.098 -49.642 -4.590 1.00 13.53 ATOM 498 HA1 GLY 31 18.922 -49.802 -5.273 1.00 37.49 ATOM 499 HA2 GLY 31 17.172 -49.857 -5.103 1.00 43.34 ATOM 500 C GLY 31 18.242 -50.597 -3.407 1.00 54.02 ATOM 501 O GLY 31 18.987 -51.575 -3.464 1.00 10.34 ATOM 502 N ASP 32 17.510 -50.303 -2.336 1.00 21.04 ATOM 503 HN ASP 32 16.839 -49.597 -2.411 1.00 37.49 ATOM 504 CA ASP 32 17.661 -50.997 -1.053 1.00 24.30 ATOM 505 HA ASP 32 18.596 -51.538 -1.075 1.00 52.13 ATOM 506 CB ASP 32 17.723 -49.943 0.062 1.00 21.13 ATOM 507 HB1 ASP 32 16.849 -49.310 -0.003 1.00 37.49 ATOM 508 HB2 ASP 32 18.605 -49.333 -0.080 1.00 54.21 ATOM 509 CG ASP 32 17.782 -50.542 1.455 1.00 33.43 ATOM 510 OD1 ASP 32 16.731 -50.602 2.130 1.00 63.14 ATOM 511 OD2 ASP 32 18.879 -50.950 1.884 1.00 62.13 ATOM 512 C ASP 32 16.513 -51.996 -0.797 1.00 5.40 ATOM 513 O ASP 32 15.346 -51.691 -1.057 1.00 42.00 ATOM 514 N PRO 33 16.832 -53.202 -0.271 1.00 12.51 ATOM 515 CA PRO 33 15.825 -54.238 0.047 1.00 54.00 ATOM 516 HA PRO 33 15.362 -54.616 -0.855 1.00 70.41 ATOM 517 CB PRO 33 16.653 -55.363 0.702 1.00 43.33 ATOM 518 HB1 PRO 33 16.799 -56.164 -0.009 1.00 37.49 ATOM 519 HB2 PRO 33 16.135 -55.743 1.572 1.00 2.22 ATOM 520 CG PRO 33 17.951 -54.729 1.075 1.00 22.12 ATOM 521 HG1 PRO 33 18.741 -55.466 1.052 1.00 37.49 ATOM 522 HG2 PRO 33 17.878 -54.288 2.060 1.00 2.44 ATOM 523 CD PRO 33 18.196 -53.667 0.043 1.00 11.53 ATOM 524 HD1 PRO 33 18.673 -54.086 -0.832 1.00 37.49 ATOM 525 HD2 PRO 33 18.795 -52.868 0.458 1.00 15.11 ATOM 526 C PRO 33 14.718 -53.743 1.001 1.00 61.03 ATOM 527 O PRO 33 13.528 -53.821 0.683 1.00 1.32 ATOM 528 N LYS 34 15.106 -53.218 2.160 1.00 25.31 ATOM 529 HN LYS 34 16.065 -53.143 2.355 1.00 37.49 ATOM 530 CA LYS 34 14.133 -52.733 3.149 1.00 52.45 ATOM 531 HA LYS 34 13.420 -53.530 3.312 1.00 1.51 ATOM 532 CB LYS 34 14.829 -52.420 4.483 1.00 73.05 ATOM 533 HB1 LYS 34 14.219 -51.727 5.046 1.00 37.49 ATOM 534 HB2 LYS 34 15.783 -51.956 4.276 1.00 70.24 ATOM 535 CG LYS 34 15.077 -53.652 5.351 1.00 25.31 ATOM 536 HG1 LYS 34 15.678 -53.365 6.203 1.00 37.49 ATOM 537 HG2 LYS 34 15.607 -54.394 4.768 1.00 60.40 ATOM 538 CD LYS 34 13.763 -54.257 5.849 1.00 51.14 ATOM 539 HD1 LYS 34 13.147 -54.504 4.995 1.00 37.49 ATOM 540 HD2 LYS 34 13.253 -53.528 6.460 1.00 3.43 ATOM 541 CE LYS 34 13.987 -55.518 6.675 1.00 22.24 ATOM 542 HE1 LYS 34 13.036 -55.850 7.068 1.00 37.49 ATOM 543 HE2 LYS 34 14.652 -55.284 7.494 1.00 52.01 ATOM 544 NZ LYS 34 14.585 -56.613 5.866 1.00 65.40 ATOM 545 HZ1 LYS 34 15.541 -56.349 5.550 1.00 65.43 ATOM 546 HZ2 LYS 34 13.995 -56.802 5.028 1.00 13.11 ATOM 547 HZ3 LYS 34 14.645 -57.484 6.431 1.00 44.51 ATOM 548 C LYS 34 13.361 -51.506 2.646 1.00 22.32 ATOM 549 O LYS 34 12.317 -51.157 3.196 1.00 70.11 ATOM 550 N ARG 35 13.872 -50.856 1.601 1.00 44.20 ATOM 551 HN ARG 35 14.738 -51.142 1.236 1.00 37.49 ATOM 552 CA ARG 35 13.180 -49.712 1.003 1.00 11.40 ATOM 553 HA ARG 35 13.015 -48.984 1.787 1.00 2.12 ATOM 554 CB ARG 35 14.038 -49.071 -0.105 1.00 42.20 ATOM 555 HB1 ARG 35 13.707 -49.444 -1.065 1.00 37.49 ATOM 556 HB2 ARG 35 15.067 -49.365 0.042 1.00 53.45 ATOM 557 CG ARG 35 13.969 -47.539 -0.133 1.00 42.52 ATOM 558 HG1 ARG 35 13.202 -47.208 0.554 1.00 37.49 ATOM 559 HG2 ARG 35 13.717 -47.216 -1.133 1.00 24.44 ATOM 560 CD ARG 35 15.301 -46.898 0.267 1.00 32.52 ATOM 561 HD1 ARG 35 15.136 -45.847 0.457 1.00 37.49 ATOM 562 HD2 ARG 35 15.998 -47.007 -0.551 1.00 22.01 ATOM 563 NE ARG 35 15.878 -47.512 1.463 1.00 54.25 ATOM 564 HE ARG 35 15.443 -48.311 1.818 1.00 50.32 ATOM 565 CZ ARG 35 16.950 -47.076 2.072 1.00 64.14 ATOM 566 NH1 ARG 35 17.569 -46.015 1.661 1.00 11.53 ATOM 567 HH11 ARG 35 17.235 -45.511 0.864 1.00 12.35 ATOM 568 HH12 ARG 35 18.386 -45.698 2.144 1.00 3.50 ATOM 569 NH2 ARG 35 17.407 -47.715 3.097 1.00 4.53 ATOM 570 HH21 ARG 35 16.943 -48.537 3.419 1.00 41.43 ATOM 571 HH22 ARG 35 18.230 -47.388 3.561 1.00 41.25 ATOM 572 C ARG 35 11.818 -50.141 0.435 1.00 1.42 ATOM 573 O ARG 35 10.777 -49.607 0.816 1.00 14.32 ATOM 574 N LYS 36 11.830 -51.124 -0.468 1.00 53.04 ATOM 575 HN LYS 36 12.685 -51.519 -0.732 1.00 37.49 ATOM 576 CA LYS 36 10.586 -51.618 -1.068 1.00 13.32 ATOM 577 HA LYS 36 9.997 -50.750 -1.332 1.00 65.42 ATOM 578 CB LYS 36 10.846 -52.435 -2.350 1.00 11.22 ATOM 579 HB1 LYS 36 11.426 -51.825 -3.031 1.00 37.49 ATOM 580 HB2 LYS 36 9.895 -52.652 -2.813 1.00 2.11 ATOM 581 CG LYS 36 11.582 -53.762 -2.149 1.00 14.14 ATOM 582 HG1 LYS 36 11.252 -54.457 -2.909 1.00 37.49 ATOM 583 HG2 LYS 36 11.332 -54.156 -1.175 1.00 44.21 ATOM 584 CD LYS 36 13.099 -53.614 -2.241 1.00 53.13 ATOM 585 HD1 LYS 36 13.554 -54.577 -2.054 1.00 37.49 ATOM 586 HD2 LYS 36 13.429 -52.914 -1.488 1.00 63.01 ATOM 587 CE LYS 36 13.552 -53.113 -3.609 1.00 43.53 ATOM 588 HE1 LYS 36 14.630 -53.031 -3.607 1.00 37.49 ATOM 589 HE2 LYS 36 13.121 -52.138 -3.783 1.00 21.14 ATOM 590 NZ LYS 36 13.138 -54.023 -4.711 1.00 62.52 ATOM 591 HZ1 LYS 36 13.582 -53.726 -5.605 1.00 64.31 ATOM 592 HZ2 LYS 36 12.106 -53.995 -4.832 1.00 74.21 ATOM 593 HZ3 LYS 36 13.425 -55.002 -4.504 1.00 5.02 ATOM 594 C LYS 36 9.773 -52.450 -0.065 1.00 65.11 ATOM 595 O LYS 36 8.544 -52.459 -0.115 1.00 15.10 ATOM 596 N GLU 37 10.464 -53.142 0.845 1.00 61.13 ATOM 597 HN GLU 37 11.444 -53.138 0.802 1.00 37.49 ATOM 598 CA GLU 37 9.798 -53.918 1.902 1.00 73.44 ATOM 599 HA GLU 37 9.148 -54.635 1.420 1.00 24.11 ATOM 600 CB GLU 37 10.837 -54.679 2.745 1.00 70.32 ATOM 601 HB1 GLU 37 10.353 -55.067 3.631 1.00 37.49 ATOM 602 HB2 GLU 37 11.613 -53.989 3.046 1.00 65.31 ATOM 603 CG GLU 37 11.491 -55.846 2.010 1.00 62.54 ATOM 604 HG1 GLU 37 11.855 -55.491 1.055 1.00 37.49 ATOM 605 HG2 GLU 37 10.746 -56.610 1.843 1.00 65.20 ATOM 606 CD GLU 37 12.653 -56.466 2.777 1.00 5.13 ATOM 607 OE1 GLU 37 13.734 -56.651 2.178 1.00 53.13 ATOM 608 OE2 GLU 37 12.497 -56.764 3.978 1.00 32.34 ATOM 609 C GLU 37 8.941 -53.014 2.803 1.00 20.54 ATOM 610 O GLU 37 7.748 -53.261 2.992 1.00 32.14 ATOM 611 N PHE 38 9.548 -51.958 3.345 1.00 5.55 ATOM 612 HN PHE 38 10.505 -51.819 3.179 1.00 37.49 ATOM 613 CA PHE 38 8.824 -51.004 4.192 1.00 3.33 ATOM 614 HA PHE 38 8.463 -51.544 5.057 1.00 5.03 ATOM 615 CB PHE 38 9.759 -49.884 4.665 1.00 34.41 ATOM 616 HB1 PHE 38 10.216 -49.421 3.801 1.00 37.49 ATOM 617 HB2 PHE 38 10.535 -50.312 5.285 1.00 51.33 ATOM 618 CG PHE 38 9.063 -48.803 5.464 1.00 24.32 ATOM 619 CD1 PHE 38 8.646 -47.622 4.856 1.00 64.41 ATOM 620 HD1 PHE 38 8.828 -47.477 3.801 1.00 12.21 ATOM 621 CD2 PHE 38 8.819 -48.969 6.820 1.00 10.24 ATOM 622 HD2 PHE 38 9.137 -49.880 7.309 1.00 14.43 ATOM 623 CE1 PHE 38 8.003 -46.638 5.583 1.00 54.24 ATOM 624 HE1 PHE 38 7.685 -45.727 5.098 1.00 74.50 ATOM 625 CE2 PHE 38 8.177 -47.986 7.550 1.00 1.42 ATOM 626 HE2 PHE 38 7.994 -48.128 8.605 1.00 70.43 ATOM 627 CZ PHE 38 7.769 -46.820 6.931 1.00 65.33 ATOM 628 HZ PHE 38 7.266 -46.051 7.502 1.00 34.34 ATOM 629 C PHE 38 7.620 -50.403 3.453 1.00 3.42 ATOM 630 O PHE 38 6.509 -50.375 3.981 1.00 3.31 ATOM 631 N LEU 39 7.849 -49.923 2.232 1.00 24.54 ATOM 632 HN LEU 39 8.759 -49.967 1.865 1.00 37.49 ATOM 633 CA LEU 39 6.779 -49.325 1.423 1.00 12.21 ATOM 634 HA LEU 39 6.357 -48.508 1.992 1.00 25.15 ATOM 635 CB LEU 39 7.356 -48.769 0.116 1.00 42.31 ATOM 636 HB1 LEU 39 6.539 -48.390 -0.484 1.00 37.49 ATOM 637 HB2 LEU 39 7.824 -49.583 -0.421 1.00 45.45 ATOM 638 CG LEU 39 8.389 -47.643 0.283 1.00 14.43 ATOM 639 HG LEU 39 9.180 -47.985 0.936 1.00 41.23 ATOM 640 CD1 LEU 39 9.016 -47.290 -1.060 1.00 23.53 ATOM 641 HD11 LEU 39 8.246 -46.957 -1.743 1.00 73.44 ATOM 642 HD12 LEU 39 9.506 -48.161 -1.470 1.00 11.13 ATOM 643 HD13 LEU 39 9.742 -46.501 -0.924 1.00 15.53 ATOM 644 CD2 LEU 39 7.752 -46.408 0.923 1.00 15.40 ATOM 645 HD21 LEU 39 6.929 -46.066 0.311 1.00 1.30 ATOM 646 HD22 LEU 39 8.490 -45.621 1.002 1.00 12.20 ATOM 647 HD23 LEU 39 7.388 -46.659 1.908 1.00 13.21 ATOM 648 C LEU 39 5.662 -50.339 1.120 1.00 34.04 ATOM 649 O LEU 39 4.479 -50.002 1.157 1.00 43.41 ATOM 650 N ASP 40 6.045 -51.578 0.822 1.00 40.53 ATOM 651 HN ASP 40 7.004 -51.783 0.781 1.00 37.49 ATOM 652 CA ASP 40 5.077 -52.647 0.558 1.00 11.22 ATOM 653 HA ASP 40 4.466 -52.338 -0.280 1.00 71.30 ATOM 654 CB ASP 40 5.819 -53.934 0.182 1.00 74.10 ATOM 655 HB1 ASP 40 6.490 -54.204 0.986 1.00 37.49 ATOM 656 HB2 ASP 40 6.399 -53.757 -0.714 1.00 30.40 ATOM 657 CG ASP 40 4.882 -55.098 -0.079 1.00 62.33 ATOM 658 OD1 ASP 40 4.820 -56.016 0.766 1.00 64.14 ATOM 659 OD2 ASP 40 4.201 -55.099 -1.127 1.00 0.15 ATOM 660 C ASP 40 4.163 -52.881 1.777 1.00 33.51 ATOM 661 O ASP 40 2.934 -52.903 1.652 1.00 62.12 ATOM 662 N ASP 41 4.771 -53.050 2.953 1.00 41.41 ATOM 663 HN ASP 41 5.754 -53.096 2.979 1.00 37.49 ATOM 664 CA ASP 41 4.017 -53.174 4.208 1.00 64.33 ATOM 665 HA ASP 41 3.350 -54.019 4.109 1.00 35.15 ATOM 666 CB ASP 41 4.969 -53.430 5.384 1.00 73.22 ATOM 667 HB1 ASP 41 4.449 -53.223 6.311 1.00 37.49 ATOM 668 HB2 ASP 41 5.817 -52.764 5.303 1.00 2.10 ATOM 669 CG ASP 41 5.481 -54.861 5.429 1.00 55.03 ATOM 670 OD1 ASP 41 6.526 -55.154 4.813 1.00 42.11 ATOM 671 OD2 ASP 41 4.842 -55.702 6.098 1.00 23.45 ATOM 672 C ASP 41 3.179 -51.916 4.487 1.00 4.33 ATOM 673 O ASP 41 2.020 -52.009 4.881 1.00 42.33 ATOM 674 N LEU 42 3.778 -50.745 4.276 1.00 70.13 ATOM 675 HN LEU 42 4.696 -50.743 3.938 1.00 37.49 ATOM 676 CA LEU 42 3.114 -49.456 4.531 1.00 75.11 ATOM 677 HA LEU 42 2.863 -49.415 5.581 1.00 31.12 ATOM 678 CB LEU 42 4.080 -48.306 4.206 1.00 3.31 ATOM 679 HB1 LEU 42 4.407 -48.423 3.182 1.00 37.49 ATOM 680 HB2 LEU 42 4.944 -48.401 4.850 1.00 14.33 ATOM 681 CG LEU 42 3.507 -46.887 4.368 1.00 3.43 ATOM 682 HG LEU 42 2.580 -46.818 3.816 1.00 42.21 ATOM 683 CD1 LEU 42 3.195 -46.588 5.833 1.00 62.52 ATOM 684 HD11 LEU 42 4.093 -46.698 6.424 1.00 75.54 ATOM 685 HD12 LEU 42 2.443 -47.276 6.191 1.00 32.11 ATOM 686 HD13 LEU 42 2.827 -45.575 5.924 1.00 31.10 ATOM 687 CD2 LEU 42 4.469 -45.849 3.791 1.00 42.22 ATOM 688 HD21 LEU 42 4.623 -46.043 2.739 1.00 45.11 ATOM 689 HD22 LEU 42 5.416 -45.904 4.309 1.00 13.24 ATOM 690 HD23 LEU 42 4.050 -44.860 3.914 1.00 64.45 ATOM 691 C LEU 42 1.826 -49.299 3.704 1.00 54.11 ATOM 692 O LEU 42 0.737 -49.126 4.258 1.00 64.34 ATOM 693 N PHE 43 1.963 -49.372 2.379 1.00 31.34 ATOM 694 HN PHE 43 2.856 -49.529 2.004 1.00 37.49 ATOM 695 CA PHE 43 0.823 -49.225 1.462 1.00 51.24 ATOM 696 HA PHE 43 0.428 -48.226 1.584 1.00 13.04 ATOM 697 CB PHE 43 1.286 -49.404 0.003 1.00 32.21 ATOM 698 HB1 PHE 43 0.414 -49.508 -0.630 1.00 37.49 ATOM 699 HB2 PHE 43 1.877 -50.304 -0.067 1.00 4.13 ATOM 700 CG PHE 43 2.123 -48.264 -0.542 1.00 32.31 ATOM 701 CD1 PHE 43 3.013 -47.571 0.270 1.00 51.13 ATOM 702 HD1 PHE 43 3.105 -47.848 1.309 1.00 75.52 ATOM 703 CD2 PHE 43 2.022 -47.892 -1.877 1.00 32.22 ATOM 704 HD2 PHE 43 1.336 -48.420 -2.525 1.00 71.21 ATOM 705 CE1 PHE 43 3.778 -46.536 -0.234 1.00 13.21 ATOM 706 HE1 PHE 43 4.465 -46.008 0.411 1.00 23.42 ATOM 707 CE2 PHE 43 2.787 -46.856 -2.385 1.00 13.20 ATOM 708 HE2 PHE 43 2.695 -46.578 -3.425 1.00 64.34 ATOM 709 CZ PHE 43 3.665 -46.178 -1.562 1.00 51.24 ATOM 710 HZ PHE 43 4.262 -45.368 -1.957 1.00 55.24 ATOM 711 C PHE 43 -0.288 -50.236 1.786 1.00 53.22 ATOM 712 O PHE 43 -1.464 -49.878 1.888 1.00 53.03 ATOM 713 N SER 44 0.099 -51.499 1.958 1.00 23.31 ATOM 714 HN SER 44 1.050 -51.721 1.858 1.00 37.49 ATOM 715 CA SER 44 -0.854 -52.568 2.286 1.00 63.51 ATOM 716 HA SER 44 -1.627 -52.565 1.530 1.00 50.13 ATOM 717 CB SER 44 -0.150 -53.934 2.270 1.00 11.42 ATOM 718 HB1 SER 44 -0.876 -54.715 2.446 1.00 37.49 ATOM 719 HB2 SER 44 0.600 -53.959 3.047 1.00 1.24 ATOM 720 OG SER 44 0.485 -54.176 1.022 1.00 52.12 ATOM 721 HG SER 44 1.441 -54.082 1.127 1.00 21.13 ATOM 722 C SER 44 -1.507 -52.337 3.659 1.00 34.23 ATOM 723 O SER 44 -2.702 -52.570 3.838 1.00 51.31 ATOM 724 N PHE 45 -0.714 -51.870 4.622 1.00 1.23 ATOM 725 HN PHE 45 0.224 -51.678 4.408 1.00 37.49 ATOM 726 CA PHE 45 -1.191 -51.627 5.993 1.00 1.31 ATOM 727 HA PHE 45 -1.596 -52.555 6.369 1.00 50.15 ATOM 728 CB PHE 45 -0.016 -51.200 6.887 1.00 3.32 ATOM 729 HB1 PHE 45 0.440 -50.313 6.466 1.00 37.49 ATOM 730 HB2 PHE 45 0.717 -51.994 6.905 1.00 44.21 ATOM 731 CG PHE 45 -0.400 -50.895 8.313 1.00 43.23 ATOM 732 CD1 PHE 45 -0.548 -51.917 9.238 1.00 21.52 ATOM 733 HD1 PHE 45 -0.389 -52.940 8.929 1.00 43.21 ATOM 734 CD2 PHE 45 -0.608 -49.586 8.729 1.00 0.00 ATOM 735 HD2 PHE 45 -0.496 -48.780 8.018 1.00 53.03 ATOM 736 CE1 PHE 45 -0.897 -51.641 10.544 1.00 12.24 ATOM 737 HE1 PHE 45 -1.010 -52.447 11.256 1.00 23.30 ATOM 738 CE2 PHE 45 -0.957 -49.306 10.035 1.00 62.54 ATOM 739 HE2 PHE 45 -1.115 -48.285 10.346 1.00 33.12 ATOM 740 CZ PHE 45 -1.100 -50.335 10.943 1.00 1.23 ATOM 741 HZ PHE 45 -1.372 -50.119 11.966 1.00 13.30 ATOM 742 C PHE 45 -2.293 -50.556 6.033 1.00 12.31 ATOM 743 O PHE 45 -3.394 -50.791 6.547 1.00 61.45 ATOM 744 N MET 46 -1.992 -49.372 5.500 1.00 75.02 ATOM 745 HN MET 46 -1.098 -49.233 5.114 1.00 37.49 ATOM 746 CA MET 46 -2.963 -48.274 5.477 1.00 13.44 ATOM 747 HA MET 46 -3.329 -48.153 6.488 1.00 74.45 ATOM 748 CB MET 46 -2.289 -46.961 5.043 1.00 22.13 ATOM 749 HB1 MET 46 -1.529 -46.704 5.770 1.00 37.49 ATOM 750 HB2 MET 46 -3.033 -46.177 5.032 1.00 11.22 ATOM 751 CG MET 46 -1.634 -47.008 3.670 1.00 11.30 ATOM 752 HG1 MET 46 -2.406 -47.088 2.918 1.00 37.49 ATOM 753 HG2 MET 46 -0.993 -47.877 3.618 1.00 33.52 ATOM 754 SD MET 46 -0.645 -45.540 3.330 1.00 75.24 ATOM 755 CE MET 46 -1.856 -44.240 3.560 1.00 74.14 ATOM 756 HE1 MET 46 -2.239 -44.276 4.569 1.00 71.31 ATOM 757 HE2 MET 46 -2.668 -44.374 2.860 1.00 62.24 ATOM 758 HE3 MET 46 -1.388 -43.282 3.388 1.00 63.01 ATOM 759 C MET 46 -4.163 -48.613 4.573 1.00 0.33 ATOM 760 O MET 46 -5.297 -48.220 4.854 1.00 62.23 ATOM 761 N GLN 47 -3.914 -49.364 3.501 1.00 51.32 ATOM 762 HN GLN 47 -2.983 -49.587 3.280 1.00 37.49 ATOM 763 CA GLN 47 -4.991 -49.861 2.634 1.00 61.14 ATOM 764 HA GLN 47 -5.524 -49.004 2.243 1.00 64.54 ATOM 765 CB GLN 47 -4.396 -50.658 1.461 1.00 64.34 ATOM 766 HB1 GLN 47 -3.816 -51.479 1.859 1.00 37.49 ATOM 767 HB2 GLN 47 -3.735 -50.008 0.903 1.00 4.02 ATOM 768 CG GLN 47 -5.431 -51.228 0.493 1.00 60.44 ATOM 769 HG1 GLN 47 -6.040 -50.418 0.120 1.00 37.49 ATOM 770 HG2 GLN 47 -6.057 -51.931 1.025 1.00 43.21 ATOM 771 CD GLN 47 -4.797 -51.946 -0.691 1.00 44.22 ATOM 772 OE1 GLN 47 -3.711 -52.507 -0.588 1.00 41.34 ATOM 773 NE2 GLN 47 -5.466 -51.932 -1.828 1.00 11.32 ATOM 774 HE21 GLN 47 -6.330 -51.469 -1.855 1.00 4.20 ATOM 775 HE22 GLN 47 -5.074 -52.392 -2.595 1.00 42.32 ATOM 776 C GLN 47 -5.973 -50.737 3.433 1.00 71.22 ATOM 777 O GLN 47 -7.189 -50.528 3.396 1.00 12.35 ATOM 778 N LYS 48 -5.427 -51.700 4.176 1.00 52.42 ATOM 779 HN LYS 48 -4.452 -51.812 4.160 1.00 37.49 ATOM 780 CA LYS 48 -6.229 -52.607 5.011 1.00 42.54 ATOM 781 HA LYS 48 -6.944 -53.096 4.366 1.00 44.31 ATOM 782 CB LYS 48 -5.329 -53.680 5.646 1.00 32.30 ATOM 783 HB1 LYS 48 -5.904 -54.228 6.380 1.00 37.49 ATOM 784 HB2 LYS 48 -4.504 -53.191 6.143 1.00 33.12 ATOM 785 CG LYS 48 -4.757 -54.682 4.645 1.00 65.40 ATOM 786 HG1 LYS 48 -4.228 -54.141 3.872 1.00 37.49 ATOM 787 HG2 LYS 48 -5.570 -55.240 4.201 1.00 32.33 ATOM 788 CD LYS 48 -3.793 -55.659 5.315 1.00 54.23 ATOM 789 HD1 LYS 48 -4.302 -56.145 6.137 1.00 37.49 ATOM 790 HD2 LYS 48 -2.945 -55.108 5.694 1.00 74.31 ATOM 791 CE LYS 48 -3.291 -56.726 4.345 1.00 23.44 ATOM 792 HE1 LYS 48 -2.532 -57.316 4.840 1.00 37.49 ATOM 793 HE2 LYS 48 -2.860 -56.240 3.482 1.00 21.14 ATOM 794 NZ LYS 48 -4.385 -57.627 3.892 1.00 13.42 ATOM 795 HZ1 LYS 48 -4.783 -58.146 4.702 1.00 2.33 ATOM 796 HZ2 LYS 48 -4.023 -58.313 3.201 1.00 2.44 ATOM 797 HZ3 LYS 48 -5.145 -57.075 3.444 1.00 75.53 ATOM 798 C LYS 48 -7.004 -51.857 6.113 1.00 14.24 ATOM 799 O LYS 48 -8.089 -52.279 6.512 1.00 53.21 ATOM 800 N ARG 49 -6.453 -50.746 6.607 1.00 41.33 ATOM 801 HN ARG 49 -5.578 -50.454 6.274 1.00 37.49 ATOM 802 CA ARG 49 -7.127 -49.972 7.662 1.00 11.23 ATOM 803 HA ARG 49 -7.631 -50.679 8.306 1.00 24.15 ATOM 804 CB ARG 49 -6.110 -49.183 8.507 1.00 73.54 ATOM 805 HB1 ARG 49 -5.204 -49.768 8.591 1.00 37.49 ATOM 806 HB2 ARG 49 -6.521 -49.040 9.496 1.00 32.33 ATOM 807 CG ARG 49 -5.737 -47.811 7.946 1.00 22.12 ATOM 808 HG1 ARG 49 -6.638 -47.225 7.827 1.00 37.49 ATOM 809 HG2 ARG 49 -5.264 -47.942 6.984 1.00 3.52 ATOM 810 CD ARG 49 -4.779 -47.062 8.871 1.00 33.44 ATOM 811 HD1 ARG 49 -4.712 -46.033 8.543 1.00 37.49 ATOM 812 HD2 ARG 49 -3.802 -47.521 8.806 1.00 70.23 ATOM 813 NE ARG 49 -5.223 -47.093 10.267 1.00 62.03 ATOM 814 HE ARG 49 -5.523 -47.953 10.621 1.00 51.41 ATOM 815 CZ ARG 49 -5.230 -46.070 11.079 1.00 71.24 ATOM 816 NH1 ARG 49 -4.887 -44.888 10.672 1.00 13.43 ATOM 817 HH11 ARG 49 -4.612 -44.745 9.722 1.00 2.24 ATOM 818 HH12 ARG 49 -4.904 -44.121 11.305 1.00 22.51 ATOM 819 NH2 ARG 49 -5.604 -46.238 12.306 1.00 1.31 ATOM 820 HH21 ARG 49 -5.884 -47.148 12.619 1.00 71.23 ATOM 821 HH22 ARG 49 -5.609 -45.468 12.939 1.00 41.11 ATOM 822 C ARG 49 -8.193 -49.021 7.078 1.00 65.42 ATOM 823 O ARG 49 -8.923 -48.358 7.822 1.00 20.41 ATOM 824 N GLY 50 -8.273 -48.953 5.749 1.00 41.44 ATOM 825 HN GLY 50 -7.640 -49.469 5.207 1.00 37.49 ATOM 826 CA GLY 50 -9.301 -48.144 5.094 1.00 2.51 ATOM 827 HA1 GLY 50 -10.060 -47.889 5.822 1.00 37.49 ATOM 828 HA2 GLY 50 -9.759 -48.741 4.321 1.00 44.33 ATOM 829 C GLY 50 -8.779 -46.854 4.460 1.00 12.23 ATOM 830 O GLY 50 -9.481 -45.841 4.441 1.00 74.14 ATOM 831 N THR 51 -7.548 -46.878 3.944 1.00 2.01 ATOM 832 HN THR 51 -7.013 -47.696 4.025 1.00 37.49 ATOM 833 CA THR 51 -6.975 -45.711 3.250 1.00 13.40 ATOM 834 HA THR 51 -7.740 -45.324 2.590 1.00 74.02 ATOM 835 CB THR 51 -6.579 -44.569 4.228 1.00 43.10 ATOM 836 HB THR 51 -7.485 -44.126 4.618 1.00 52.43 ATOM 837 OG1 THR 51 -5.834 -43.553 3.531 1.00 65.44 ATOM 838 HG1 THR 51 -4.912 -43.834 3.456 1.00 72.20 ATOM 839 CG2 THR 51 -5.757 -45.094 5.401 1.00 2.25 ATOM 840 HG21 THR 51 -6.320 -45.855 5.924 1.00 44.54 ATOM 841 HG22 THR 51 -5.535 -44.282 6.079 1.00 53.42 ATOM 842 HG23 THR 51 -4.834 -45.519 5.035 1.00 44.15 ATOM 843 C THR 51 -5.758 -46.089 2.389 1.00 23.12 ATOM 844 O THR 51 -4.612 -45.960 2.822 1.00 23.10 ATOM 845 N PRO 52 -5.990 -46.577 1.156 1.00 2.00 ATOM 846 CA PRO 52 -4.904 -46.924 0.224 1.00 62.20 ATOM 847 HA PRO 52 -4.176 -47.572 0.696 1.00 71.13 ATOM 848 CB PRO 52 -5.619 -47.694 -0.907 1.00 52.42 ATOM 849 HB1 PRO 52 -5.102 -48.625 -1.089 1.00 37.49 ATOM 850 HB2 PRO 52 -5.620 -47.100 -1.812 1.00 70.32 ATOM 851 CG PRO 52 -7.013 -47.937 -0.416 1.00 23.31 ATOM 852 HG1 PRO 52 -7.068 -48.901 0.073 1.00 37.49 ATOM 853 HG2 PRO 52 -7.708 -47.899 -1.243 1.00 4.31 ATOM 854 CD PRO 52 -7.310 -46.839 0.566 1.00 40.51 ATOM 855 HD1 PRO 52 -8.011 -47.178 1.315 1.00 37.49 ATOM 856 HD2 PRO 52 -7.689 -45.963 0.057 1.00 70.13 ATOM 857 C PRO 52 -4.188 -45.682 -0.334 1.00 75.13 ATOM 858 O PRO 52 -4.754 -44.585 -0.365 1.00 34.03 ATOM 859 N VAL 53 -2.948 -45.858 -0.785 1.00 62.24 ATOM 860 HN VAL 53 -2.560 -46.761 -0.773 1.00 37.49 ATOM 861 CA VAL 53 -2.149 -44.746 -1.311 1.00 31.11 ATOM 862 HA VAL 53 -2.339 -43.878 -0.691 1.00 32.20 ATOM 863 CB VAL 53 -0.631 -45.059 -1.250 1.00 2.04 ATOM 864 HB VAL 53 -0.434 -45.901 -1.901 1.00 63.32 ATOM 865 CG1 VAL 53 0.194 -43.871 -1.750 1.00 70.12 ATOM 866 HG11 VAL 53 1.245 -44.123 -1.724 1.00 44.03 ATOM 867 HG12 VAL 53 0.015 -43.014 -1.117 1.00 44.01 ATOM 868 HG13 VAL 53 -0.092 -43.633 -2.765 1.00 1.41 ATOM 869 CG2 VAL 53 -0.221 -45.450 0.168 1.00 4.04 ATOM 870 HG21 VAL 53 -0.407 -44.623 0.839 1.00 71.31 ATOM 871 HG22 VAL 53 0.831 -45.698 0.187 1.00 21.20 ATOM 872 HG23 VAL 53 -0.797 -46.307 0.488 1.00 14.24 ATOM 873 C VAL 53 -2.532 -44.412 -2.760 1.00 25.21 ATOM 874 O VAL 53 -2.260 -45.186 -3.680 1.00 1.31 ATOM 875 N ASN 54 -3.175 -43.262 -2.950 1.00 33.13 ATOM 876 HN ASN 54 -3.430 -42.727 -2.170 1.00 37.49 ATOM 877 CA ASN 54 -3.523 -42.781 -4.291 1.00 43.45 ATOM 878 HA ASN 54 -4.020 -43.587 -4.813 1.00 53.12 ATOM 879 CB ASN 54 -4.487 -41.587 -4.180 1.00 70.33 ATOM 880 HB1 ASN 54 -4.015 -40.808 -3.596 1.00 37.49 ATOM 881 HB2 ASN 54 -5.387 -41.907 -3.675 1.00 4.33 ATOM 882 CG ASN 54 -4.881 -41.006 -5.527 1.00 62.44 ATOM 883 OD1 ASN 54 -4.900 -41.694 -6.537 1.00 71.44 ATOM 884 ND2 ASN 54 -5.210 -39.730 -5.547 1.00 44.20 ATOM 885 HD21 ASN 54 -5.181 -39.233 -4.706 1.00 24.13 ATOM 886 HD22 ASN 54 -5.483 -39.337 -6.403 1.00 65.34 ATOM 887 C ASN 54 -2.256 -42.389 -5.070 1.00 31.52 ATOM 888 O ASN 54 -1.871 -43.053 -6.033 1.00 41.22 ATOM 889 N ARG 55 -1.609 -41.311 -4.635 1.00 52.24 ATOM 890 HN ARG 55 -1.987 -40.809 -3.884 1.00 37.49 ATOM 891 CA ARG 55 -0.345 -40.853 -5.229 1.00 71.43 ATOM 892 HA ARG 55 0.130 -41.712 -5.687 1.00 0.04 ATOM 893 CB ARG 55 -0.605 -39.795 -6.316 1.00 54.32 ATOM 894 HB1 ARG 55 0.332 -39.315 -6.569 1.00 37.49 ATOM 895 HB2 ARG 55 -1.285 -39.051 -5.924 1.00 24.41 ATOM 896 CG ARG 55 -1.208 -40.372 -7.596 1.00 23.14 ATOM 897 HG1 ARG 55 -2.130 -40.881 -7.349 1.00 37.49 ATOM 898 HG2 ARG 55 -0.513 -41.080 -8.023 1.00 42.13 ATOM 899 CD ARG 55 -1.505 -39.294 -8.631 1.00 72.03 ATOM 900 HD1 ARG 55 -0.600 -38.735 -8.819 1.00 37.49 ATOM 901 HD2 ARG 55 -2.261 -38.628 -8.237 1.00 55.34 ATOM 902 NE ARG 55 -1.979 -39.863 -9.895 1.00 4.43 ATOM 903 HE ARG 55 -1.304 -40.093 -10.566 1.00 43.32 ATOM 904 CZ ARG 55 -3.235 -40.063 -10.186 1.00 5.24 ATOM 905 NH1 ARG 55 -4.162 -39.809 -9.317 1.00 61.33 ATOM 906 HH11 ARG 55 -3.919 -39.458 -8.422 1.00 44.12 ATOM 907 HH12 ARG 55 -5.120 -39.973 -9.548 1.00 32.31 ATOM 908 NH2 ARG 55 -3.562 -40.533 -11.345 1.00 73.33 ATOM 909 HH21 ARG 55 -2.853 -40.744 -12.016 1.00 61.10 ATOM 910 HH22 ARG 55 -4.523 -40.681 -11.568 1.00 23.30 ATOM 911 C ARG 55 0.601 -40.305 -4.148 1.00 12.41 ATOM 912 O ARG 55 0.197 -40.091 -3.003 1.00 12.10 ATOM 913 N ILE 56 1.858 -40.086 -4.517 1.00 42.31 ATOM 914 HN ILE 56 2.102 -40.190 -5.460 1.00 37.49 ATOM 915 CA ILE 56 2.892 -39.680 -3.556 1.00 34.30 ATOM 916 HA ILE 56 2.615 -40.074 -2.586 1.00 23.45 ATOM 917 CB ILE 56 4.262 -40.290 -3.946 1.00 4.03 ATOM 918 HB ILE 56 4.538 -39.903 -4.918 1.00 21.32 ATOM 919 CG1 ILE 56 4.150 -41.822 -4.030 1.00 72.31 ATOM 920 HG11 ILE 56 3.388 -42.082 -4.752 1.00 37.49 ATOM 921 HG12 ILE 56 3.866 -42.212 -3.063 1.00 10.34 ATOM 922 CG2 ILE 56 5.349 -39.880 -2.948 1.00 4.33 ATOM 923 HG21 ILE 56 6.289 -40.331 -3.230 1.00 44.23 ATOM 924 HG22 ILE 56 5.074 -40.213 -1.956 1.00 13.23 ATOM 925 HG23 ILE 56 5.454 -38.804 -2.947 1.00 51.11 ATOM 926 CD1 ILE 56 5.432 -42.510 -4.444 1.00 11.04 ATOM 927 HD11 ILE 56 6.211 -42.279 -3.734 1.00 35.54 ATOM 928 HD12 ILE 56 5.726 -42.166 -5.425 1.00 1.13 ATOM 929 HD13 ILE 56 5.274 -43.577 -4.469 1.00 51.34 ATOM 930 C ILE 56 3.019 -38.146 -3.451 1.00 11.12 ATOM 931 O ILE 56 3.022 -37.445 -4.465 1.00 32.33 ATOM 932 N PRO 57 3.110 -37.608 -2.213 1.00 70.50 ATOM 933 CA PRO 57 3.304 -36.164 -1.978 1.00 41.24 ATOM 934 HA PRO 57 2.430 -35.601 -2.278 1.00 51.30 ATOM 935 CB PRO 57 3.475 -36.069 -0.454 1.00 40.15 ATOM 936 HB1 PRO 57 3.003 -35.168 -0.089 1.00 37.49 ATOM 937 HB2 PRO 57 4.528 -36.054 -0.204 1.00 3.32 ATOM 938 CG PRO 57 2.806 -37.288 0.085 1.00 21.33 ATOM 939 HG1 PRO 57 1.752 -37.099 0.227 1.00 37.49 ATOM 940 HG2 PRO 57 3.264 -37.576 1.022 1.00 12.52 ATOM 941 CD PRO 57 3.009 -38.362 -0.947 1.00 0.33 ATOM 942 HD1 PRO 57 2.163 -39.035 -0.966 1.00 37.49 ATOM 943 HD2 PRO 57 3.921 -38.910 -0.751 1.00 54.54 ATOM 944 C PRO 57 4.545 -35.588 -2.687 1.00 62.15 ATOM 945 O PRO 57 5.599 -36.228 -2.745 1.00 35.30 ATOM 946 N ILE 58 4.414 -34.367 -3.208 1.00 74.31 ATOM 947 HN ILE 58 3.554 -33.907 -3.121 1.00 37.49 ATOM 948 CA ILE 58 5.515 -33.690 -3.905 1.00 54.44 ATOM 949 HA ILE 58 6.335 -34.391 -3.999 1.00 72.35 ATOM 950 CB ILE 58 5.085 -33.252 -5.333 1.00 11.23 ATOM 951 HB ILE 58 4.240 -32.585 -5.235 1.00 12.00 ATOM 952 CG1 ILE 58 4.658 -34.475 -6.168 1.00 0.04 ATOM 953 HG11 ILE 58 4.322 -34.139 -7.139 1.00 37.49 ATOM 954 HG12 ILE 58 3.843 -34.976 -5.668 1.00 13.34 ATOM 955 CG2 ILE 58 6.208 -32.484 -6.036 1.00 31.23 ATOM 956 HG21 ILE 58 7.091 -33.104 -6.092 1.00 71.22 ATOM 957 HG22 ILE 58 6.435 -31.586 -5.479 1.00 63.53 ATOM 958 HG23 ILE 58 5.893 -32.217 -7.035 1.00 23.41 ATOM 959 CD1 ILE 58 5.758 -35.496 -6.386 1.00 55.05 ATOM 960 HD11 ILE 58 6.072 -35.900 -5.435 1.00 41.10 ATOM 961 HD12 ILE 58 6.599 -35.024 -6.873 1.00 1.31 ATOM 962 HD13 ILE 58 5.385 -36.295 -7.011 1.00 43.50 ATOM 963 C ILE 58 6.003 -32.459 -3.118 1.00 34.22 ATOM 964 O ILE 58 5.203 -31.621 -2.695 1.00 21.14 ATOM 965 N MET 59 7.318 -32.360 -2.932 1.00 73.24 ATOM 966 HN MET 59 7.899 -33.065 -3.295 1.00 37.49 ATOM 967 CA MET 59 7.934 -31.234 -2.215 1.00 43.45 ATOM 968 HA MET 59 7.206 -30.438 -2.142 1.00 70.41 ATOM 969 CB MET 59 8.342 -31.672 -0.799 1.00 72.11 ATOM 970 HB1 MET 59 8.960 -32.557 -0.873 1.00 37.49 ATOM 971 HB2 MET 59 7.449 -31.916 -0.239 1.00 22.12 ATOM 972 CG MET 59 9.116 -30.609 -0.025 1.00 11.04 ATOM 973 HG1 MET 59 9.984 -30.321 -0.602 1.00 37.49 ATOM 974 HG2 MET 59 9.438 -31.031 0.915 1.00 2.32 ATOM 975 SD MET 59 8.137 -29.133 0.316 1.00 62.40 ATOM 976 CE MET 59 7.019 -29.747 1.575 1.00 62.15 ATOM 977 HE1 MET 59 6.452 -30.577 1.181 1.00 64.51 ATOM 978 HE2 MET 59 6.342 -28.958 1.872 1.00 31.24 ATOM 979 HE3 MET 59 7.588 -30.075 2.433 1.00 72.52 ATOM 980 C MET 59 9.169 -30.714 -2.966 1.00 11.53 ATOM 981 O MET 59 9.961 -31.500 -3.476 1.00 1.34 ATOM 982 N ALA 60 9.322 -29.390 -3.033 1.00 72.23 ATOM 983 HN ALA 60 8.633 -28.814 -2.642 1.00 37.49 ATOM 984 CA ALA 60 10.493 -28.766 -3.676 1.00 21.11 ATOM 985 HA ALA 60 10.343 -27.695 -3.656 1.00 64.44 ATOM 986 CB ALA 60 11.757 -29.078 -2.872 1.00 3.45 ATOM 987 HB1 ALA 60 12.600 -28.557 -3.305 1.00 41.20 ATOM 988 HB2 ALA 60 11.946 -30.141 -2.890 1.00 22.14 ATOM 989 HB3 ALA 60 11.623 -28.755 -1.849 1.00 2.54 ATOM 990 C ALA 60 10.651 -29.208 -5.145 1.00 41.33 ATOM 991 O ALA 60 11.768 -29.328 -5.651 1.00 14.12 ATOM 992 N LYS 61 9.515 -29.428 -5.818 1.00 41.12 ATOM 993 HN LYS 61 8.664 -29.291 -5.348 1.00 37.49 ATOM 994 CA LYS 61 9.477 -29.863 -7.229 1.00 10.44 ATOM 995 HA LYS 61 8.445 -29.807 -7.548 1.00 53.41 ATOM 996 CB LYS 61 10.313 -28.930 -8.130 1.00 0.13 ATOM 997 HB1 LYS 61 10.244 -29.281 -9.152 1.00 37.49 ATOM 998 HB2 LYS 61 11.346 -28.979 -7.816 1.00 33.05 ATOM 999 CG LYS 61 9.882 -27.463 -8.101 1.00 54.43 ATOM 1000 HG1 LYS 61 10.508 -26.904 -8.783 1.00 37.49 ATOM 1001 HG2 LYS 61 10.014 -27.081 -7.099 1.00 31.13 ATOM 1002 CD LYS 61 8.420 -27.281 -8.507 1.00 2.53 ATOM 1003 HD1 LYS 61 7.789 -27.718 -7.745 1.00 37.49 ATOM 1004 HD2 LYS 61 8.251 -27.786 -9.448 1.00 35.25 ATOM 1005 CE LYS 61 8.057 -25.807 -8.667 1.00 33.21 ATOM 1006 HE1 LYS 61 6.993 -25.729 -8.845 1.00 37.49 ATOM 1007 HE2 LYS 61 8.590 -25.409 -9.517 1.00 71.22 ATOM 1008 NZ LYS 61 8.405 -25.004 -7.462 1.00 3.15 ATOM 1009 HZ1 LYS 61 9.437 -24.999 -7.317 1.00 70.43 ATOM 1010 HZ2 LYS 61 7.955 -25.404 -6.617 1.00 15.05 ATOM 1011 HZ3 LYS 61 8.082 -24.024 -7.578 1.00 44.10 ATOM 1012 C LYS 61 9.951 -31.323 -7.411 1.00 25.20 ATOM 1013 O LYS 61 10.102 -31.794 -8.540 1.00 4.21 ATOM 1014 N GLN 62 10.167 -32.040 -6.308 1.00 21.12 ATOM 1015 HN GLN 62 10.035 -31.618 -5.433 1.00 37.49 ATOM 1016 CA GLN 62 10.596 -33.448 -6.366 1.00 53.41 ATOM 1017 HA GLN 62 10.527 -33.774 -7.395 1.00 1.30 ATOM 1018 CB GLN 62 12.056 -33.590 -5.899 1.00 0.34 ATOM 1019 HB1 GLN 62 12.689 -33.004 -6.550 1.00 37.49 ATOM 1020 HB2 GLN 62 12.346 -34.630 -5.975 1.00 71.55 ATOM 1021 CG GLN 62 12.292 -33.132 -4.463 1.00 21.33 ATOM 1022 HG1 GLN 62 11.535 -33.574 -3.830 1.00 37.49 ATOM 1023 HG2 GLN 62 12.204 -32.056 -4.422 1.00 15.12 ATOM 1024 CD GLN 62 13.659 -33.523 -3.929 1.00 40.20 ATOM 1025 OE1 GLN 62 14.634 -32.787 -4.066 1.00 52.41 ATOM 1026 NE2 GLN 62 13.741 -34.687 -3.314 1.00 23.45 ATOM 1027 HE21 GLN 62 12.927 -35.230 -3.236 1.00 2.01 ATOM 1028 HE22 GLN 62 14.608 -34.956 -2.949 1.00 14.34 ATOM 1029 C GLN 62 9.693 -34.351 -5.509 1.00 72.22 ATOM 1030 O GLN 62 8.858 -33.870 -4.741 1.00 3.02 ATOM 1031 N VAL 63 9.871 -35.664 -5.644 1.00 33.21 ATOM 1032 HN VAL 63 10.524 -35.991 -6.297 1.00 37.49 ATOM 1033 CA VAL 63 9.114 -36.633 -4.847 1.00 4.53 ATOM 1034 HA VAL 63 8.066 -36.369 -4.911 1.00 65.32 ATOM 1035 CB VAL 63 9.285 -38.071 -5.409 1.00 30.33 ATOM 1036 HB VAL 63 8.979 -38.061 -6.449 1.00 21.52 ATOM 1037 CG1 VAL 63 10.746 -38.515 -5.356 1.00 60.41 ATOM 1038 HG11 VAL 63 11.351 -37.835 -5.937 1.00 34.02 ATOM 1039 HG12 VAL 63 10.835 -39.512 -5.763 1.00 1.25 ATOM 1040 HG13 VAL 63 11.088 -38.514 -4.330 1.00 3.21 ATOM 1041 CG2 VAL 63 8.388 -39.059 -4.665 1.00 22.42 ATOM 1042 HG21 VAL 63 7.357 -38.747 -4.752 1.00 3.34 ATOM 1043 HG22 VAL 63 8.668 -39.088 -3.622 1.00 12.33 ATOM 1044 HG23 VAL 63 8.502 -40.045 -5.095 1.00 12.20 ATOM 1045 C VAL 63 9.544 -36.599 -3.367 1.00 22.05 ATOM 1046 O VAL 63 10.720 -36.400 -3.053 1.00 71.25 ATOM 1047 N LEU 64 8.580 -36.775 -2.463 1.00 42.11 ATOM 1048 HN LEU 64 7.654 -36.887 -2.769 1.00 37.49 ATOM 1049 CA LEU 64 8.860 -36.792 -1.023 1.00 50.20 ATOM 1050 HA LEU 64 9.683 -36.114 -0.836 1.00 4.44 ATOM 1051 CB LEU 64 7.627 -36.298 -0.248 1.00 62.44 ATOM 1052 HB1 LEU 64 6.807 -36.970 -0.458 1.00 37.49 ATOM 1053 HB2 LEU 64 7.366 -35.316 -0.623 1.00 55.23 ATOM 1054 CG LEU 64 7.795 -36.204 1.279 1.00 62.43 ATOM 1055 HG LEU 64 8.079 -37.174 1.661 1.00 20.13 ATOM 1056 CD1 LEU 64 8.901 -35.218 1.645 1.00 41.11 ATOM 1057 HD11 LEU 64 8.663 -34.240 1.250 1.00 32.30 ATOM 1058 HD12 LEU 64 9.838 -35.556 1.226 1.00 10.31 ATOM 1059 HD13 LEU 64 8.991 -35.159 2.719 1.00 5.03 ATOM 1060 CD2 LEU 64 6.476 -35.804 1.941 1.00 71.42 ATOM 1061 HD21 LEU 64 6.613 -35.748 3.011 1.00 21.42 ATOM 1062 HD22 LEU 64 5.721 -36.542 1.714 1.00 61.53 ATOM 1063 HD23 LEU 64 6.160 -34.839 1.568 1.00 64.32 ATOM 1064 C LEU 64 9.260 -38.202 -0.546 1.00 2.13 ATOM 1065 O LEU 64 8.462 -39.142 -0.613 1.00 72.13 ATOM 1066 N ASP 65 10.502 -38.345 -0.082 1.00 64.30 ATOM 1067 HN ASP 65 11.116 -37.577 -0.120 1.00 37.49 ATOM 1068 CA ASP 65 10.996 -39.619 0.454 1.00 12.41 ATOM 1069 HA ASP 65 10.896 -40.366 -0.321 1.00 12.42 ATOM 1070 CB ASP 65 12.478 -39.492 0.833 1.00 53.24 ATOM 1071 HB1 ASP 65 12.841 -40.452 1.171 1.00 37.49 ATOM 1072 HB2 ASP 65 12.574 -38.777 1.637 1.00 53.11 ATOM 1073 CG ASP 65 13.344 -39.024 -0.323 1.00 13.44 ATOM 1074 OD1 ASP 65 13.266 -37.832 -0.680 1.00 52.05 ATOM 1075 OD2 ASP 65 14.119 -39.840 -0.866 1.00 74.21 ATOM 1076 C ASP 65 10.187 -40.071 1.685 1.00 24.43 ATOM 1077 O ASP 65 10.580 -39.816 2.822 1.00 45.43 ATOM 1078 N LEU 66 9.049 -40.730 1.454 1.00 1.42 ATOM 1079 HN LEU 66 8.761 -40.865 0.527 1.00 37.49 ATOM 1080 CA LEU 66 8.196 -41.218 2.551 1.00 12.45 ATOM 1081 HA LEU 66 7.899 -40.358 3.136 1.00 24.22 ATOM 1082 CB LEU 66 6.932 -41.888 1.991 1.00 21.11 ATOM 1083 HB1 LEU 66 6.371 -42.301 2.819 1.00 37.49 ATOM 1084 HB2 LEU 66 7.238 -42.703 1.347 1.00 2.11 ATOM 1085 CG LEU 66 5.996 -40.965 1.189 1.00 35.53 ATOM 1086 HG LEU 66 6.530 -40.590 0.326 1.00 72.44 ATOM 1087 CD1 LEU 66 4.782 -41.741 0.681 1.00 45.13 ATOM 1088 HD11 LEU 66 4.214 -42.118 1.521 1.00 1.22 ATOM 1089 HD12 LEU 66 5.115 -42.569 0.073 1.00 61.43 ATOM 1090 HD13 LEU 66 4.158 -41.088 0.088 1.00 41.14 ATOM 1091 CD2 LEU 66 5.562 -39.764 2.032 1.00 10.15 ATOM 1092 HD21 LEU 66 4.913 -39.129 1.447 1.00 60.14 ATOM 1093 HD22 LEU 66 6.433 -39.202 2.335 1.00 15.22 ATOM 1094 HD23 LEU 66 5.033 -40.107 2.910 1.00 23.21 ATOM 1095 C LEU 66 8.948 -42.193 3.478 1.00 11.43 ATOM 1096 O LEU 66 8.794 -42.143 4.700 1.00 3.05 ATOM 1097 N PHE 67 9.764 -43.069 2.891 1.00 4.22 ATOM 1098 HN PHE 67 9.818 -43.085 1.915 1.00 37.49 ATOM 1099 CA PHE 67 10.577 -44.017 3.668 1.00 64.42 ATOM 1100 HA PHE 67 9.904 -44.671 4.205 1.00 42.14 ATOM 1101 CB PHE 67 11.440 -44.862 2.713 1.00 65.04 ATOM 1102 HB1 PHE 67 12.038 -44.200 2.103 1.00 37.49 ATOM 1103 HB2 PHE 67 10.786 -45.435 2.070 1.00 10.42 ATOM 1104 CG PHE 67 12.373 -45.831 3.410 1.00 72.54 ATOM 1105 CD1 PHE 67 11.954 -47.117 3.729 1.00 22.11 ATOM 1106 HD1 PHE 67 10.949 -47.426 3.474 1.00 23.01 ATOM 1107 CD2 PHE 67 13.668 -45.455 3.746 1.00 54.41 ATOM 1108 HD2 PHE 67 14.012 -44.459 3.504 1.00 64.11 ATOM 1109 CE1 PHE 67 12.805 -48.002 4.367 1.00 21.04 ATOM 1110 HE1 PHE 67 12.465 -48.998 4.609 1.00 1.40 ATOM 1111 CE2 PHE 67 14.519 -46.338 4.384 1.00 34.21 ATOM 1112 HE2 PHE 67 15.523 -46.031 4.640 1.00 10.15 ATOM 1113 CZ PHE 67 14.087 -47.611 4.695 1.00 13.23 ATOM 1114 HZ PHE 67 14.751 -48.301 5.193 1.00 44.21 ATOM 1115 C PHE 67 11.472 -43.282 4.683 1.00 10.33 ATOM 1116 O PHE 67 11.475 -43.593 5.878 1.00 35.21 ATOM 1117 N MET 68 12.210 -42.286 4.200 1.00 54.23 ATOM 1118 HN MET 68 12.143 -42.061 3.250 1.00 37.49 ATOM 1119 CA MET 68 13.113 -41.513 5.056 1.00 74.44 ATOM 1120 HA MET 68 13.672 -42.214 5.664 1.00 33.32 ATOM 1121 CB MET 68 14.096 -40.707 4.202 1.00 74.11 ATOM 1122 HB1 MET 68 14.774 -40.172 4.854 1.00 37.49 ATOM 1123 HB2 MET 68 13.541 -39.992 3.610 1.00 74.53 ATOM 1124 CG MET 68 14.919 -41.567 3.261 1.00 72.25 ATOM 1125 HG1 MET 68 15.579 -40.927 2.693 1.00 37.49 ATOM 1126 HG2 MET 68 14.245 -42.074 2.589 1.00 43.52 ATOM 1127 SD MET 68 15.908 -42.802 4.131 1.00 64.10 ATOM 1128 CE MET 68 17.060 -41.754 5.019 1.00 52.43 ATOM 1129 HE1 MET 68 17.623 -41.159 4.314 1.00 64.51 ATOM 1130 HE2 MET 68 17.739 -42.368 5.592 1.00 65.45 ATOM 1131 HE3 MET 68 16.515 -41.103 5.686 1.00 1.01 ATOM 1132 C MET 68 12.329 -40.580 5.983 1.00 34.25 ATOM 1133 O MET 68 12.725 -40.352 7.119 1.00 21.25 ATOM 1134 N LEU 69 11.212 -40.049 5.491 1.00 11.34 ATOM 1135 HN LEU 69 10.962 -40.240 4.565 1.00 37.49 ATOM 1136 CA LEU 69 10.349 -39.183 6.300 1.00 60.40 ATOM 1137 HA LEU 69 10.920 -38.303 6.561 1.00 31.13 ATOM 1138 CB LEU 69 9.110 -38.756 5.497 1.00 52.32 ATOM 1139 HB1 LEU 69 8.509 -39.635 5.309 1.00 37.49 ATOM 1140 HB2 LEU 69 9.442 -38.362 4.545 1.00 1.13 ATOM 1141 CG LEU 69 8.220 -37.701 6.172 1.00 55.41 ATOM 1142 HG LEU 69 7.896 -38.074 7.134 1.00 71.40 ATOM 1143 CD1 LEU 69 9.006 -36.417 6.413 1.00 51.53 ATOM 1144 HD11 LEU 69 8.377 -35.695 6.911 1.00 61.44 ATOM 1145 HD12 LEU 69 9.338 -36.015 5.466 1.00 41.12 ATOM 1146 HD13 LEU 69 9.867 -36.632 7.031 1.00 25.05 ATOM 1147 CD2 LEU 69 6.975 -37.427 5.328 1.00 62.01 ATOM 1148 HD21 LEU 69 6.346 -36.710 5.835 1.00 25.52 ATOM 1149 HD22 LEU 69 6.427 -38.347 5.184 1.00 0.40 ATOM 1150 HD23 LEU 69 7.270 -37.031 4.366 1.00 0.03 ATOM 1151 C LEU 69 9.927 -39.901 7.590 1.00 41.52 ATOM 1152 O LEU 69 9.950 -39.321 8.674 1.00 70.41 ATOM 1153 N TYR 70 9.562 -41.176 7.463 1.00 4.31 ATOM 1154 HN TYR 70 9.495 -41.566 6.564 1.00 37.49 ATOM 1155 CA TYR 70 9.248 -42.006 8.626 1.00 71.12 ATOM 1156 HA TYR 70 8.438 -41.530 9.161 1.00 12.24 ATOM 1157 CB TYR 70 8.794 -43.406 8.186 1.00 33.14 ATOM 1158 HB1 TYR 70 9.578 -43.864 7.599 1.00 37.49 ATOM 1159 HB2 TYR 70 7.906 -43.315 7.577 1.00 51.04 ATOM 1160 CG TYR 70 8.473 -44.332 9.347 1.00 21.32 ATOM 1161 CD1 TYR 70 7.211 -44.336 9.935 1.00 64.42 ATOM 1162 HD1 TYR 70 6.449 -43.674 9.550 1.00 34.25 ATOM 1163 CD2 TYR 70 9.438 -45.193 9.861 1.00 44.11 ATOM 1164 HD2 TYR 70 10.423 -45.204 9.416 1.00 74.44 ATOM 1165 CE1 TYR 70 6.925 -45.170 11.000 1.00 22.21 ATOM 1166 HE1 TYR 70 5.940 -45.159 11.443 1.00 3.33 ATOM 1167 CE2 TYR 70 9.156 -46.030 10.921 1.00 50.13 ATOM 1168 HE2 TYR 70 9.920 -46.692 11.303 1.00 42.24 ATOM 1169 CZ TYR 70 7.900 -46.016 11.488 1.00 3.31 ATOM 1170 OH TYR 70 7.623 -46.844 12.555 1.00 42.22 ATOM 1171 HH TYR 70 8.236 -46.652 13.273 1.00 24.31 ATOM 1172 C TYR 70 10.459 -42.118 9.566 1.00 33.32 ATOM 1173 O TYR 70 10.366 -41.807 10.754 1.00 53.13 ATOM 1174 N VAL 71 11.596 -42.556 9.022 1.00 31.51 ATOM 1175 HN VAL 71 11.622 -42.742 8.056 1.00 37.49 ATOM 1176 CA VAL 71 12.812 -42.771 9.822 1.00 52.53 ATOM 1177 HA VAL 71 12.581 -43.518 10.571 1.00 33.32 ATOM 1178 CB VAL 71 13.971 -43.314 8.946 1.00 3.21 ATOM 1179 HB VAL 71 14.210 -42.565 8.203 1.00 10.23 ATOM 1180 CG1 VAL 71 15.225 -43.562 9.786 1.00 52.24 ATOM 1181 HG11 VAL 71 16.010 -43.956 9.157 1.00 63.04 ATOM 1182 HG12 VAL 71 15.002 -44.273 10.569 1.00 44.11 ATOM 1183 HG13 VAL 71 15.553 -42.632 10.228 1.00 72.24 ATOM 1184 CG2 VAL 71 13.548 -44.589 8.214 1.00 75.23 ATOM 1185 HG21 VAL 71 12.702 -44.376 7.577 1.00 32.23 ATOM 1186 HG22 VAL 71 13.273 -45.346 8.934 1.00 24.03 ATOM 1187 HG23 VAL 71 14.369 -44.949 7.610 1.00 35.45 ATOM 1188 C VAL 71 13.277 -41.486 10.539 1.00 2.41 ATOM 1189 O VAL 71 13.399 -41.460 11.765 1.00 23.12 ATOM 1190 N LEU 72 13.510 -40.423 9.771 1.00 75.15 ATOM 1191 HN LEU 72 13.352 -40.494 8.809 1.00 37.49 ATOM 1192 CA LEU 72 13.999 -39.147 10.315 1.00 73.13 ATOM 1193 HA LEU 72 14.978 -39.332 10.736 1.00 13.02 ATOM 1194 CB LEU 72 14.141 -38.101 9.190 1.00 14.32 ATOM 1195 HB1 LEU 72 14.088 -37.116 9.635 1.00 37.49 ATOM 1196 HB2 LEU 72 13.302 -38.212 8.518 1.00 22.41 ATOM 1197 CG LEU 72 15.438 -38.175 8.355 1.00 70.12 ATOM 1198 HG LEU 72 15.397 -37.417 7.585 1.00 31.21 ATOM 1199 CD1 LEU 72 16.656 -37.880 9.223 1.00 44.42 ATOM 1200 HD11 LEU 72 16.583 -36.875 9.614 1.00 42.32 ATOM 1201 HD12 LEU 72 17.553 -37.969 8.629 1.00 10.34 ATOM 1202 HD13 LEU 72 16.697 -38.583 10.044 1.00 23.34 ATOM 1203 CD2 LEU 72 15.587 -39.531 7.668 1.00 53.53 ATOM 1204 HD21 LEU 72 14.750 -39.693 7.006 1.00 53.20 ATOM 1205 HD22 LEU 72 15.615 -40.316 8.412 1.00 4.32 ATOM 1206 HD23 LEU 72 16.503 -39.547 7.095 1.00 51.22 ATOM 1207 C LEU 72 13.091 -38.601 11.434 1.00 61.12 ATOM 1208 O LEU 72 13.578 -38.083 12.435 1.00 14.14 ATOM 1209 N VAL 73 11.776 -38.712 11.261 1.00 14.13 ATOM 1210 HN VAL 73 11.434 -39.120 10.436 1.00 37.49 ATOM 1211 CA VAL 73 10.824 -38.227 12.271 1.00 22.42 ATOM 1212 HA VAL 73 11.163 -37.250 12.596 1.00 63.05 ATOM 1213 CB VAL 73 9.403 -38.067 11.669 1.00 21.52 ATOM 1214 HB VAL 73 9.113 -39.014 11.235 1.00 54.32 ATOM 1215 CG1 VAL 73 8.375 -37.706 12.741 1.00 71.11 ATOM 1216 HG11 VAL 73 8.654 -36.776 13.215 1.00 2.43 ATOM 1217 HG12 VAL 73 8.334 -38.490 13.484 1.00 31.22 ATOM 1218 HG13 VAL 73 7.401 -37.597 12.283 1.00 41.12 ATOM 1219 CG2 VAL 73 9.406 -37.019 10.557 1.00 53.12 ATOM 1220 HG21 VAL 73 8.411 -36.928 10.143 1.00 4.12 ATOM 1221 HG22 VAL 73 10.090 -37.322 9.778 1.00 43.34 ATOM 1222 HG23 VAL 73 9.718 -36.064 10.957 1.00 4.30 ATOM 1223 C VAL 73 10.767 -39.153 13.503 1.00 51.22 ATOM 1224 O VAL 73 10.799 -38.689 14.646 1.00 5.03 ATOM 1225 N THR 74 10.694 -40.464 13.273 1.00 43.23 ATOM 1226 HN THR 74 10.714 -40.789 12.348 1.00 37.49 ATOM 1227 CA THR 74 10.595 -41.432 14.380 1.00 71.03 ATOM 1228 HA THR 74 9.746 -41.141 14.986 1.00 33.02 ATOM 1229 CB THR 74 10.350 -42.878 13.887 1.00 34.44 ATOM 1230 HB THR 74 10.387 -43.541 14.741 1.00 15.20 ATOM 1231 OG1 THR 74 11.370 -43.269 12.957 1.00 13.43 ATOM 1232 HG1 THR 74 11.212 -42.840 12.108 1.00 33.34 ATOM 1233 CG2 THR 74 8.978 -43.011 13.236 1.00 64.40 ATOM 1234 HG21 THR 74 8.834 -44.028 12.903 1.00 63.45 ATOM 1235 HG22 THR 74 8.913 -42.343 12.389 1.00 53.41 ATOM 1236 HG23 THR 74 8.212 -42.755 13.954 1.00 30.51 ATOM 1237 C THR 74 11.842 -41.419 15.269 1.00 22.23 ATOM 1238 O THR 74 11.728 -41.442 16.496 1.00 4.02 ATOM 1239 N GLU 75 13.028 -41.354 14.659 1.00 21.30 ATOM 1240 HN GLU 75 13.062 -41.332 13.676 1.00 37.49 ATOM 1241 CA GLU 75 14.287 -41.341 15.422 1.00 72.55 ATOM 1242 HA GLU 75 14.343 -42.275 15.964 1.00 34.42 ATOM 1243 CB GLU 75 15.510 -41.238 14.495 1.00 23.13 ATOM 1244 HB1 GLU 75 15.447 -42.018 13.747 1.00 37.49 ATOM 1245 HB2 GLU 75 16.404 -41.393 15.083 1.00 62.15 ATOM 1246 CG GLU 75 15.635 -39.895 13.776 1.00 55.15 ATOM 1247 HG1 GLU 75 15.246 -39.118 14.421 1.00 37.49 ATOM 1248 HG2 GLU 75 15.044 -39.931 12.872 1.00 44.03 ATOM 1249 CD GLU 75 17.071 -39.544 13.404 1.00 72.32 ATOM 1250 OE1 GLU 75 17.469 -39.748 12.241 1.00 31.52 ATOM 1251 OE2 GLU 75 17.809 -39.043 14.283 1.00 60.21 ATOM 1252 C GLU 75 14.330 -40.186 16.440 1.00 41.12 ATOM 1253 O GLU 75 15.067 -40.249 17.428 1.00 5.24 ATOM 1254 N LYS 76 13.549 -39.128 16.198 1.00 61.44 ATOM 1255 HN LYS 76 12.983 -39.123 15.396 1.00 37.49 ATOM 1256 CA LYS 76 13.529 -37.970 17.103 1.00 1.23 ATOM 1257 HA LYS 76 14.538 -37.806 17.457 1.00 51.24 ATOM 1258 CB LYS 76 13.053 -36.713 16.351 1.00 43.24 ATOM 1259 HB1 LYS 76 13.189 -35.854 16.991 1.00 37.49 ATOM 1260 HB2 LYS 76 11.999 -36.817 16.132 1.00 71.45 ATOM 1261 CG LYS 76 13.785 -36.448 15.036 1.00 34.41 ATOM 1262 HG1 LYS 76 13.429 -35.514 14.621 1.00 37.49 ATOM 1263 HG2 LYS 76 13.564 -37.252 14.348 1.00 62.03 ATOM 1264 CD LYS 76 15.297 -36.361 15.220 1.00 71.41 ATOM 1265 HD1 LYS 76 15.652 -37.286 15.651 1.00 37.49 ATOM 1266 HD2 LYS 76 15.524 -35.541 15.887 1.00 72.41 ATOM 1267 CE LYS 76 16.012 -36.127 13.892 1.00 43.25 ATOM 1268 HE1 LYS 76 15.761 -35.139 13.532 1.00 37.49 ATOM 1269 HE2 LYS 76 15.674 -36.864 13.178 1.00 54.33 ATOM 1270 NZ LYS 76 17.489 -36.231 14.027 1.00 44.31 ATOM 1271 HZ1 LYS 76 17.752 -37.182 14.357 1.00 41.12 ATOM 1272 HZ2 LYS 76 17.840 -35.530 14.710 1.00 23.55 ATOM 1273 HZ3 LYS 76 17.946 -36.059 13.106 1.00 23.41 ATOM 1274 C LYS 76 12.615 -38.222 18.316 1.00 32.42 ATOM 1275 O LYS 76 12.855 -37.696 19.401 1.00 22.31 ATOM 1276 N GLY 77 11.611 -39.083 18.146 1.00 51.20 ATOM 1277 HN GLY 77 11.514 -39.537 17.287 1.00 37.49 ATOM 1278 CA GLY 77 10.669 -39.363 19.229 1.00 42.50 ATOM 1279 HA1 GLY 77 10.830 -38.648 20.025 1.00 37.49 ATOM 1280 HA2 GLY 77 10.871 -40.352 19.612 1.00 63.21 ATOM 1281 C GLY 77 9.199 -39.301 18.807 1.00 12.00 ATOM 1282 O GLY 77 8.311 -39.180 19.656 1.00 11.32 ATOM 1283 N GLY 78 8.933 -39.375 17.502 1.00 42.22 ATOM 1284 HN GLY 78 9.672 -39.371 16.862 1.00 37.49 ATOM 1285 CA GLY 78 7.551 -39.438 17.017 1.00 43.44 ATOM 1286 HA1 GLY 78 6.894 -39.635 17.855 1.00 37.49 ATOM 1287 HA2 GLY 78 7.472 -40.260 16.322 1.00 55.43 ATOM 1288 C GLY 78 7.077 -38.166 16.316 1.00 31.21 ATOM 1289 O GLY 78 7.704 -37.113 16.425 1.00 45.31 ATOM 1290 N LEU 79 5.950 -38.269 15.609 1.00 43.51 ATOM 1291 HN LEU 79 5.476 -39.132 15.596 1.00 37.49 ATOM 1292 CA LEU 79 5.393 -37.141 14.846 1.00 53.30 ATOM 1293 HA LEU 79 6.092 -36.904 14.057 1.00 25.33 ATOM 1294 CB LEU 79 4.055 -37.554 14.208 1.00 24.44 ATOM 1295 HB1 LEU 79 3.417 -37.940 14.990 1.00 37.49 ATOM 1296 HB2 LEU 79 4.251 -38.351 13.505 1.00 34.01 ATOM 1297 CG LEU 79 3.288 -36.435 13.472 1.00 15.32 ATOM 1298 HG LEU 79 3.087 -35.633 14.169 1.00 32.03 ATOM 1299 CD1 LEU 79 4.119 -35.856 12.329 1.00 40.51 ATOM 1300 HD11 LEU 79 5.022 -35.415 12.725 1.00 61.41 ATOM 1301 HD12 LEU 79 3.544 -35.098 11.815 1.00 3.22 ATOM 1302 HD13 LEU 79 4.377 -36.643 11.636 1.00 21.52 ATOM 1303 CD2 LEU 79 1.945 -36.950 12.952 1.00 1.13 ATOM 1304 HD21 LEU 79 1.422 -36.149 12.450 1.00 53.52 ATOM 1305 HD22 LEU 79 1.348 -37.304 13.780 1.00 32.42 ATOM 1306 HD23 LEU 79 2.112 -37.761 12.257 1.00 31.21 ATOM 1307 C LEU 79 5.188 -35.887 15.716 1.00 21.24 ATOM 1308 O LEU 79 5.682 -34.806 15.391 1.00 5.45 ATOM 1309 N VAL 80 4.466 -36.042 16.823 1.00 4.52 ATOM 1310 HN VAL 80 4.188 -36.947 17.086 1.00 37.49 ATOM 1311 CA VAL 80 4.093 -34.901 17.668 1.00 54.13 ATOM 1312 HA VAL 80 3.595 -34.179 17.032 1.00 23.31 ATOM 1313 CB VAL 80 3.093 -35.321 18.771 1.00 22.50 ATOM 1314 HB VAL 80 3.540 -36.116 19.354 1.00 21.33 ATOM 1315 CG1 VAL 80 2.784 -34.155 19.707 1.00 53.53 ATOM 1316 HG11 VAL 80 2.341 -33.347 19.142 1.00 32.41 ATOM 1317 HG12 VAL 80 3.696 -33.812 20.171 1.00 51.53 ATOM 1318 HG13 VAL 80 2.094 -34.482 20.471 1.00 62.32 ATOM 1319 CG2 VAL 80 1.812 -35.858 18.138 1.00 20.33 ATOM 1320 HG21 VAL 80 2.050 -36.688 17.488 1.00 52.10 ATOM 1321 HG22 VAL 80 1.338 -35.076 17.562 1.00 72.52 ATOM 1322 HG23 VAL 80 1.136 -36.191 18.913 1.00 21.02 ATOM 1323 C VAL 80 5.316 -34.217 18.301 1.00 52.45 ATOM 1324 O VAL 80 5.386 -32.986 18.347 1.00 54.34 ATOM 1325 N GLU 81 6.280 -35.007 18.770 1.00 54.23 ATOM 1326 HN GLU 81 6.159 -35.979 18.738 1.00 37.49 ATOM 1327 CA GLU 81 7.514 -34.452 19.343 1.00 60.44 ATOM 1328 HA GLU 81 7.241 -33.890 20.225 1.00 34.25 ATOM 1329 CB GLU 81 8.477 -35.585 19.747 1.00 13.41 ATOM 1330 HB1 GLU 81 8.883 -36.032 18.851 1.00 37.49 ATOM 1331 HB2 GLU 81 7.916 -36.337 20.285 1.00 12.33 ATOM 1332 CG GLU 81 9.647 -35.133 20.636 1.00 31.53 ATOM 1333 HG1 GLU 81 9.733 -35.825 21.462 1.00 37.49 ATOM 1334 HG2 GLU 81 9.427 -34.150 21.024 1.00 33.24 ATOM 1335 CD GLU 81 10.995 -35.068 19.924 1.00 14.13 ATOM 1336 OE1 GLU 81 11.035 -34.737 18.724 1.00 50.20 ATOM 1337 OE2 GLU 81 12.026 -35.322 20.590 1.00 1.20 ATOM 1338 C GLU 81 8.192 -33.501 18.342 1.00 34.50 ATOM 1339 O GLU 81 8.586 -32.383 18.691 1.00 2.05 ATOM 1340 N VAL 82 8.292 -33.945 17.089 1.00 55.22 ATOM 1341 HN VAL 82 7.982 -34.854 16.881 1.00 37.49 ATOM 1342 CA VAL 82 8.872 -33.130 16.019 1.00 34.21 ATOM 1343 HA VAL 82 9.858 -32.830 16.341 1.00 41.50 ATOM 1344 CB VAL 82 9.022 -33.956 14.712 1.00 44.41 ATOM 1345 HB VAL 82 8.035 -34.261 14.388 1.00 15.34 ATOM 1346 CG1 VAL 82 9.650 -33.121 13.599 1.00 74.13 ATOM 1347 HG11 VAL 82 9.721 -33.713 12.698 1.00 50.22 ATOM 1348 HG12 VAL 82 10.639 -32.804 13.899 1.00 4.44 ATOM 1349 HG13 VAL 82 9.038 -32.251 13.410 1.00 60.04 ATOM 1350 CG2 VAL 82 9.849 -35.216 14.970 1.00 75.45 ATOM 1351 HG21 VAL 82 10.830 -34.939 15.334 1.00 22.01 ATOM 1352 HG22 VAL 82 9.954 -35.775 14.051 1.00 33.23 ATOM 1353 HG23 VAL 82 9.353 -35.830 15.707 1.00 2.53 ATOM 1354 C VAL 82 8.036 -31.859 15.755 1.00 13.21 ATOM 1355 O VAL 82 8.584 -30.776 15.520 1.00 1.33 ATOM 1356 N ILE 83 6.709 -31.994 15.814 1.00 24.43 ATOM 1357 HN ILE 83 6.330 -32.889 15.963 1.00 37.49 ATOM 1358 CA ILE 83 5.800 -30.847 15.664 1.00 11.35 ATOM 1359 HA ILE 83 6.005 -30.379 14.709 1.00 13.11 ATOM 1360 CB ILE 83 4.314 -31.301 15.678 1.00 72.43 ATOM 1361 HB ILE 83 4.123 -31.788 16.625 1.00 41.13 ATOM 1362 CG1 ILE 83 4.039 -32.299 14.541 1.00 41.41 ATOM 1363 HG11 ILE 83 4.750 -33.110 14.600 1.00 37.49 ATOM 1364 HG12 ILE 83 4.152 -31.797 13.592 1.00 42.21 ATOM 1365 CG2 ILE 83 3.374 -30.098 15.572 1.00 10.51 ATOM 1366 HG21 ILE 83 3.558 -29.576 14.645 1.00 31.41 ATOM 1367 HG22 ILE 83 3.550 -29.427 16.402 1.00 23.31 ATOM 1368 HG23 ILE 83 2.348 -30.435 15.597 1.00 51.14 ATOM 1369 CD1 ILE 83 2.648 -32.899 14.585 1.00 62.10 ATOM 1370 HD11 ILE 83 1.912 -32.114 14.495 1.00 63.00 ATOM 1371 HD12 ILE 83 2.509 -33.417 15.524 1.00 22.32 ATOM 1372 HD13 ILE 83 2.532 -33.597 13.770 1.00 40.15 ATOM 1373 C ILE 83 6.015 -29.813 16.785 1.00 54.43 ATOM 1374 O ILE 83 5.925 -28.600 16.562 1.00 44.53 ATOM 1375 N ASN 84 6.305 -30.302 17.988 1.00 33.23 ATOM 1376 HN ASN 84 6.377 -31.276 18.100 1.00 37.49 ATOM 1377 CA ASN 84 6.507 -29.437 19.155 1.00 43.42 ATOM 1378 HA ASN 84 5.741 -28.673 19.132 1.00 72.24 ATOM 1379 CB ASN 84 6.341 -30.250 20.445 1.00 51.22 ATOM 1380 HB1 ASN 84 6.610 -29.635 21.292 1.00 37.49 ATOM 1381 HB2 ASN 84 6.997 -31.109 20.408 1.00 32.15 ATOM 1382 CG ASN 84 4.917 -30.740 20.640 1.00 31.43 ATOM 1383 OD1 ASN 84 3.964 -30.094 20.222 1.00 73.14 ATOM 1384 ND2 ASN 84 4.759 -31.882 21.277 1.00 13.32 ATOM 1385 HD21 ASN 84 5.556 -32.357 21.582 1.00 42.11 ATOM 1386 HD22 ASN 84 3.846 -32.207 21.416 1.00 12.35 ATOM 1387 C ASN 84 7.883 -28.745 19.140 1.00 71.53 ATOM 1388 O ASN 84 7.975 -27.532 19.324 1.00 40.21 ATOM 1389 N LYS 85 8.948 -29.514 18.907 1.00 24.52 ATOM 1390 HN LYS 85 8.815 -30.470 18.718 1.00 37.49 ATOM 1391 CA LYS 85 10.317 -28.971 18.935 1.00 33.25 ATOM 1392 HA LYS 85 10.388 -28.300 19.780 1.00 43.45 ATOM 1393 CB LYS 85 11.335 -30.102 19.118 1.00 22.34 ATOM 1394 HB1 LYS 85 12.329 -29.675 19.145 1.00 37.49 ATOM 1395 HB2 LYS 85 11.263 -30.767 18.273 1.00 72.42 ATOM 1396 CG LYS 85 11.135 -30.927 20.384 1.00 41.53 ATOM 1397 HG1 LYS 85 10.168 -31.404 20.335 1.00 37.49 ATOM 1398 HG2 LYS 85 11.170 -30.271 21.242 1.00 12.13 ATOM 1399 CD LYS 85 12.208 -32.002 20.536 1.00 45.35 ATOM 1400 HD1 LYS 85 12.179 -32.650 19.669 1.00 37.49 ATOM 1401 HD2 LYS 85 11.996 -32.584 21.422 1.00 74.40 ATOM 1402 CE LYS 85 13.606 -31.411 20.663 1.00 40.42 ATOM 1403 HE1 LYS 85 13.832 -30.850 19.767 1.00 37.49 ATOM 1404 HE2 LYS 85 14.316 -32.219 20.767 1.00 51.31 ATOM 1405 NZ LYS 85 13.724 -30.511 21.841 1.00 11.52 ATOM 1406 HZ1 LYS 85 13.081 -29.702 21.742 1.00 63.21 ATOM 1407 HZ2 LYS 85 14.698 -30.158 21.926 1.00 33.14 ATOM 1408 HZ3 LYS 85 13.478 -31.027 22.713 1.00 5.11 ATOM 1409 C LYS 85 10.656 -28.187 17.655 1.00 10.25 ATOM 1410 O LYS 85 11.630 -27.432 17.624 1.00 63.40 ATOM 1411 N LYS 86 9.857 -28.390 16.602 1.00 11.13 ATOM 1412 HN LYS 86 9.122 -29.033 16.690 1.00 37.49 ATOM 1413 CA LYS 86 10.034 -27.689 15.316 1.00 53.41 ATOM 1414 HA LYS 86 9.226 -28.004 14.672 1.00 74.41 ATOM 1415 CB LYS 86 9.934 -26.164 15.507 1.00 43.41 ATOM 1416 HB1 LYS 86 10.188 -25.678 14.574 1.00 37.49 ATOM 1417 HB2 LYS 86 10.646 -25.861 16.261 1.00 71.15 ATOM 1418 CG LYS 86 8.552 -25.675 15.935 1.00 64.45 ATOM 1419 HG1 LYS 86 8.582 -24.600 16.050 1.00 37.49 ATOM 1420 HG2 LYS 86 8.295 -26.131 16.881 1.00 60.43 ATOM 1421 CD LYS 86 7.480 -26.033 14.904 1.00 33.41 ATOM 1422 HD1 LYS 86 7.381 -27.109 14.860 1.00 37.49 ATOM 1423 HD2 LYS 86 7.782 -25.659 13.937 1.00 2.24 ATOM 1424 CE LYS 86 6.129 -25.430 15.263 1.00 12.02 ATOM 1425 HE1 LYS 86 5.401 -25.745 14.528 1.00 37.49 ATOM 1426 HE2 LYS 86 6.211 -24.353 15.247 1.00 32.01 ATOM 1427 NZ LYS 86 5.670 -25.859 16.609 1.00 53.31 ATOM 1428 HZ1 LYS 86 5.583 -26.892 16.646 1.00 34.13 ATOM 1429 HZ2 LYS 86 4.744 -25.433 16.823 1.00 74.32 ATOM 1430 HZ3 LYS 86 6.350 -25.552 17.332 1.00 64.32 ATOM 1431 C LYS 86 11.361 -28.045 14.615 1.00 45.40 ATOM 1432 O LYS 86 11.796 -27.337 13.705 1.00 2.41 ATOM 1433 N LEU 87 11.980 -29.165 14.995 1.00 2.52 ATOM 1434 HN LEU 87 11.589 -29.704 15.709 1.00 37.49 ATOM 1435 CA LEU 87 13.245 -29.593 14.368 1.00 42.23 ATOM 1436 HA LEU 87 13.835 -28.699 14.210 1.00 30.31 ATOM 1437 CB LEU 87 14.048 -30.543 15.291 1.00 34.30 ATOM 1438 HB1 LEU 87 14.099 -30.092 16.270 1.00 37.49 ATOM 1439 HB2 LEU 87 15.055 -30.599 14.900 1.00 42.55 ATOM 1440 CG LEU 87 13.528 -31.990 15.452 1.00 45.32 ATOM 1441 HG LEU 87 13.611 -32.502 14.501 1.00 61.24 ATOM 1442 CD1 LEU 87 14.373 -32.756 16.467 1.00 44.25 ATOM 1443 HD11 LEU 87 14.032 -33.781 16.520 1.00 55.45 ATOM 1444 HD12 LEU 87 14.273 -32.297 17.442 1.00 63.22 ATOM 1445 HD13 LEU 87 15.410 -32.738 16.164 1.00 31.34 ATOM 1446 CD2 LEU 87 12.070 -32.016 15.871 1.00 43.21 ATOM 1447 HD21 LEU 87 11.467 -31.534 15.114 1.00 4.40 ATOM 1448 HD22 LEU 87 11.956 -31.496 16.807 1.00 3.10 ATOM 1449 HD23 LEU 87 11.746 -33.040 15.988 1.00 3.14 ATOM 1450 C LEU 87 13.008 -30.245 12.990 1.00 5.12 ATOM 1451 O LEU 87 13.829 -31.029 12.511 1.00 33.30 ATOM 1452 N TRP 88 11.895 -29.889 12.337 1.00 62.55 ATOM 1453 HN TRP 88 11.242 -29.323 12.792 1.00 37.49 ATOM 1454 CA TRP 88 11.621 -30.330 10.962 1.00 42.22 ATOM 1455 HA TRP 88 11.534 -31.407 10.977 1.00 44.12 ATOM 1456 CB TRP 88 10.302 -29.731 10.445 1.00 13.23 ATOM 1457 HB1 TRP 88 10.256 -29.859 9.371 1.00 37.49 ATOM 1458 HB2 TRP 88 10.281 -28.676 10.671 1.00 34.23 ATOM 1459 CG TRP 88 9.064 -30.351 11.033 1.00 74.21 ATOM 1460 CD1 TRP 88 8.262 -29.832 12.010 1.00 32.04 ATOM 1461 HD1 TRP 88 8.433 -28.883 12.498 1.00 41.04 ATOM 1462 CD2 TRP 88 8.479 -31.607 10.662 1.00 64.04 ATOM 1463 NE1 TRP 88 7.216 -30.685 12.264 1.00 1.04 ATOM 1464 HE1 TRP 88 6.504 -30.535 12.919 1.00 33.43 ATOM 1465 CE2 TRP 88 7.330 -31.783 11.455 1.00 73.41 ATOM 1466 CE3 TRP 88 8.819 -32.602 9.740 1.00 52.40 ATOM 1467 HE3 TRP 88 9.694 -32.506 9.112 1.00 24.04 ATOM 1468 CZ2 TRP 88 6.517 -32.908 11.350 1.00 11.03 ATOM 1469 HZ2 TRP 88 5.636 -33.035 11.963 1.00 1.14 ATOM 1470 CZ3 TRP 88 8.012 -33.719 9.636 1.00 15.42 ATOM 1471 HZ3 TRP 88 8.259 -34.498 8.929 1.00 72.33 ATOM 1472 CH2 TRP 88 6.873 -33.865 10.440 1.00 53.04 ATOM 1473 HH2 TRP 88 6.271 -34.756 10.326 1.00 21.10 ATOM 1474 C TRP 88 12.768 -29.948 10.011 1.00 44.22 ATOM 1475 O TRP 88 12.925 -30.539 8.946 1.00 63.13 ATOM 1476 N ARG 89 13.557 -28.949 10.407 1.00 63.22 ATOM 1477 HN ARG 89 13.320 -28.458 11.220 1.00 37.49 ATOM 1478 CA ARG 89 14.761 -28.554 9.663 1.00 51.23 ATOM 1479 HA ARG 89 14.461 -28.291 8.657 1.00 64.30 ATOM 1480 CB ARG 89 15.398 -27.327 10.332 1.00 42.33 ATOM 1481 HB1 ARG 89 14.695 -26.506 10.298 1.00 37.49 ATOM 1482 HB2 ARG 89 16.288 -27.051 9.784 1.00 55.13 ATOM 1483 CG ARG 89 15.783 -27.571 11.786 1.00 73.24 ATOM 1484 HG1 ARG 89 16.406 -28.454 11.835 1.00 37.49 ATOM 1485 HG2 ARG 89 14.883 -27.739 12.360 1.00 21.15 ATOM 1486 CD ARG 89 16.541 -26.402 12.401 1.00 43.12 ATOM 1487 HD1 ARG 89 15.859 -25.574 12.536 1.00 37.49 ATOM 1488 HD2 ARG 89 17.339 -26.109 11.732 1.00 13.23 ATOM 1489 NE ARG 89 17.116 -26.765 13.695 1.00 31.34 ATOM 1490 HE ARG 89 17.137 -27.721 13.925 1.00 50.22 ATOM 1491 CZ ARG 89 17.618 -25.914 14.545 1.00 14.34 ATOM 1492 NH1 ARG 89 17.593 -24.643 14.301 1.00 1.13 ATOM 1493 HH11 ARG 89 17.190 -24.308 13.460 1.00 3.43 ATOM 1494 HH12 ARG 89 17.980 -23.999 14.963 1.00 65.20 ATOM 1495 NH2 ARG 89 18.139 -26.334 15.649 1.00 52.12 ATOM 1496 HH21 ARG 89 18.155 -27.310 15.853 1.00 41.22 ATOM 1497 HH22 ARG 89 18.534 -25.680 16.293 1.00 71.32 ATOM 1498 C ARG 89 15.782 -29.712 9.593 1.00 3.23 ATOM 1499 O ARG 89 16.499 -29.867 8.601 1.00 12.44 ATOM 1500 N GLU 90 15.851 -30.512 10.662 1.00 12.52 ATOM 1501 HN GLU 90 15.335 -30.280 11.462 1.00 37.49 ATOM 1502 CA GLU 90 16.680 -31.726 10.681 1.00 34.14 ATOM 1503 HA GLU 90 17.661 -31.464 10.308 1.00 42.02 ATOM 1504 CB GLU 90 16.816 -32.265 12.121 1.00 43.44 ATOM 1505 HB1 GLU 90 17.021 -33.327 12.075 1.00 37.49 ATOM 1506 HB2 GLU 90 15.876 -32.119 12.631 1.00 33.21 ATOM 1507 CG GLU 90 17.916 -31.609 12.963 1.00 71.24 ATOM 1508 HG1 GLU 90 18.866 -31.796 12.490 1.00 37.49 ATOM 1509 HG2 GLU 90 17.918 -32.070 13.941 1.00 65.13 ATOM 1510 CD GLU 90 17.751 -30.108 13.144 1.00 42.14 ATOM 1511 OE1 GLU 90 16.929 -29.691 13.986 1.00 12.32 ATOM 1512 OE2 GLU 90 18.462 -29.337 12.461 1.00 21.20 ATOM 1513 C GLU 90 16.075 -32.810 9.769 1.00 74.23 ATOM 1514 O GLU 90 16.796 -33.613 9.166 1.00 41.14 ATOM 1515 N ILE 91 14.744 -32.818 9.672 1.00 31.21 ATOM 1516 HN ILE 91 14.230 -32.159 10.184 1.00 37.49 ATOM 1517 CA ILE 91 14.025 -33.778 8.826 1.00 43.20 ATOM 1518 HA ILE 91 14.410 -34.767 9.042 1.00 72.45 ATOM 1519 CB ILE 91 12.502 -33.770 9.128 1.00 30.23 ATOM 1520 HB ILE 91 12.099 -32.823 8.793 1.00 63.44 ATOM 1521 CG1 ILE 91 12.248 -33.910 10.640 1.00 72.45 ATOM 1522 HG11 ILE 91 11.181 -33.939 10.817 1.00 37.49 ATOM 1523 HG12 ILE 91 12.665 -33.054 11.148 1.00 33.44 ATOM 1524 CG2 ILE 91 11.790 -34.881 8.354 1.00 74.12 ATOM 1525 HG21 ILE 91 10.735 -34.860 8.582 1.00 11.13 ATOM 1526 HG22 ILE 91 12.199 -35.841 8.636 1.00 21.31 ATOM 1527 HG23 ILE 91 11.931 -34.729 7.292 1.00 45.52 ATOM 1528 CD1 ILE 91 12.855 -35.150 11.260 1.00 32.32 ATOM 1529 HD11 ILE 91 12.612 -35.182 12.312 1.00 34.43 ATOM 1530 HD12 ILE 91 13.928 -35.124 11.140 1.00 31.22 ATOM 1531 HD13 ILE 91 12.458 -36.029 10.772 1.00 12.25 ATOM 1532 C ILE 91 14.248 -33.471 7.337 1.00 31.20 ATOM 1533 O ILE 91 14.643 -34.347 6.564 1.00 53.13 ATOM 1534 N THR 92 14.007 -32.218 6.944 1.00 5.24 ATOM 1535 HN THR 92 13.671 -31.571 7.600 1.00 37.49 ATOM 1536 CA THR 92 14.238 -31.778 5.561 1.00 54.24 ATOM 1537 HA THR 92 13.571 -32.340 4.918 1.00 15.33 ATOM 1538 CB THR 92 13.941 -30.271 5.370 1.00 24.11 ATOM 1539 HB THR 92 14.215 -29.993 4.360 1.00 52.33 ATOM 1540 OG1 THR 92 14.722 -29.496 6.292 1.00 74.53 ATOM 1541 HG1 THR 92 14.574 -28.560 6.128 1.00 42.34 ATOM 1542 CG2 THR 92 12.456 -29.972 5.565 1.00 13.33 ATOM 1543 HG21 THR 92 12.155 -30.262 6.562 1.00 44.13 ATOM 1544 HG22 THR 92 11.876 -30.526 4.839 1.00 70.41 ATOM 1545 HG23 THR 92 12.280 -28.914 5.431 1.00 61.31 ATOM 1546 C THR 92 15.683 -32.051 5.133 1.00 50.40 ATOM 1547 O THR 92 15.928 -32.580 4.050 1.00 15.10 ATOM 1548 N LYS 93 16.638 -31.695 5.992 1.00 25.05 ATOM 1549 HN LYS 93 16.399 -31.181 6.791 1.00 37.49 ATOM 1550 CA LYS 93 18.043 -32.004 5.762 1.00 72.11 ATOM 1551 HA LYS 93 18.369 -31.443 4.897 1.00 62.22 ATOM 1552 CB LYS 93 18.870 -31.568 6.978 1.00 1.44 ATOM 1553 HB1 LYS 93 18.666 -32.238 7.802 1.00 37.49 ATOM 1554 HB2 LYS 93 18.579 -30.565 7.261 1.00 71.52 ATOM 1555 CG LYS 93 20.365 -31.578 6.714 1.00 61.02 ATOM 1556 HG1 LYS 93 20.652 -32.559 6.358 1.00 37.49 ATOM 1557 HG2 LYS 93 20.889 -31.363 7.635 1.00 32.10 ATOM 1558 CD LYS 93 20.749 -30.538 5.667 1.00 43.44 ATOM 1559 HD1 LYS 93 20.001 -30.533 4.885 1.00 37.49 ATOM 1560 HD2 LYS 93 21.694 -30.809 5.246 1.00 24.14 ATOM 1561 CE LYS 93 20.850 -29.135 6.258 1.00 70.41 ATOM 1562 HE1 LYS 93 19.899 -28.873 6.698 1.00 37.49 ATOM 1563 HE2 LYS 93 21.081 -28.438 5.465 1.00 65.25 ATOM 1564 NZ LYS 93 21.909 -29.044 7.301 1.00 11.00 ATOM 1565 HZ1 LYS 93 22.816 -29.382 6.923 1.00 11.03 ATOM 1566 HZ2 LYS 93 21.653 -29.622 8.126 1.00 23.32 ATOM 1567 HZ3 LYS 93 22.022 -28.056 7.610 1.00 74.25 ATOM 1568 C LYS 93 18.255 -33.508 5.492 1.00 70.10 ATOM 1569 O LYS 93 19.076 -33.892 4.653 1.00 1.33 ATOM 1570 N GLY 94 17.512 -34.352 6.210 1.00 2.44 ATOM 1571 HN GLY 94 16.904 -33.991 6.890 1.00 37.49 ATOM 1572 CA GLY 94 17.589 -35.799 6.007 1.00 3.42 ATOM 1573 HA1 GLY 94 17.080 -36.290 6.823 1.00 37.49 ATOM 1574 HA2 GLY 94 18.628 -36.099 6.018 1.00 63.00 ATOM 1575 C GLY 94 16.958 -36.255 4.691 1.00 64.24 ATOM 1576 O GLY 94 17.297 -37.312 4.160 1.00 5.22 ATOM 1577 N LEU 95 16.031 -35.456 4.167 1.00 60.11 ATOM 1578 HN LEU 95 15.769 -34.648 4.657 1.00 37.49 ATOM 1579 CA LEU 95 15.380 -35.747 2.884 1.00 34.10 ATOM 1580 HA LEU 95 15.450 -36.811 2.702 1.00 34.53 ATOM 1581 CB LEU 95 13.899 -35.344 2.948 1.00 31.22 ATOM 1582 HB1 LEU 95 13.422 -35.670 2.035 1.00 37.49 ATOM 1583 HB2 LEU 95 13.846 -34.266 2.994 1.00 51.13 ATOM 1584 CG LEU 95 13.104 -35.913 4.133 1.00 53.41 ATOM 1585 HG LEU 95 13.558 -35.578 5.055 1.00 32.52 ATOM 1586 CD1 LEU 95 11.666 -35.402 4.111 1.00 34.04 ATOM 1587 HD11 LEU 95 11.668 -34.323 4.160 1.00 53.44 ATOM 1588 HD12 LEU 95 11.129 -35.799 4.959 1.00 44.41 ATOM 1589 HD13 LEU 95 11.182 -35.719 3.198 1.00 40.31 ATOM 1590 CD2 LEU 95 13.136 -37.437 4.122 1.00 1.04 ATOM 1591 HD21 LEU 95 12.554 -37.816 4.948 1.00 41.32 ATOM 1592 HD22 LEU 95 14.157 -37.777 4.218 1.00 34.43 ATOM 1593 HD23 LEU 95 12.722 -37.802 3.191 1.00 54.31 ATOM 1594 C LEU 95 16.070 -34.996 1.734 1.00 65.34 ATOM 1595 O LEU 95 15.597 -35.010 0.599 1.00 4.21 ATOM 1596 N ASN 96 17.185 -34.328 2.053 1.00 31.01 ATOM 1597 HN ASN 96 17.511 -34.377 2.974 1.00 37.49 ATOM 1598 CA ASN 96 17.943 -33.529 1.079 1.00 12.02 ATOM 1599 HA ASN 96 18.813 -33.146 1.591 1.00 24.13 ATOM 1600 CB ASN 96 18.410 -34.413 -0.095 1.00 23.21 ATOM 1601 HB1 ASN 96 17.561 -34.639 -0.727 1.00 37.49 ATOM 1602 HB2 ASN 96 18.812 -35.335 0.297 1.00 52.35 ATOM 1603 CG ASN 96 19.482 -33.753 -0.949 1.00 32.40 ATOM 1604 OD1 ASN 96 19.529 -33.934 -2.161 1.00 71.01 ATOM 1605 ND2 ASN 96 20.380 -33.015 -0.324 1.00 30.22 ATOM 1606 HD21 ASN 96 20.319 -32.928 0.649 1.00 64.52 ATOM 1607 HD22 ASN 96 21.067 -32.576 -0.864 1.00 53.31 ATOM 1608 C ASN 96 17.112 -32.327 0.575 1.00 11.14 ATOM 1609 O ASN 96 17.377 -31.770 -0.492 1.00 52.14 ATOM 1610 N LEU 97 16.122 -31.918 1.369 1.00 51.33 ATOM 1611 HN LEU 97 15.975 -32.385 2.216 1.00 37.49 ATOM 1612 CA LEU 97 15.247 -30.789 1.021 1.00 71.34 ATOM 1613 HA LEU 97 15.209 -30.719 -0.057 1.00 14.43 ATOM 1614 CB LEU 97 13.826 -31.032 1.557 1.00 64.24 ATOM 1615 HB1 LEU 97 13.189 -30.235 1.197 1.00 37.49 ATOM 1616 HB2 LEU 97 13.860 -30.978 2.637 1.00 1.34 ATOM 1617 CG LEU 97 13.187 -32.372 1.165 1.00 3.04 ATOM 1618 HG LEU 97 13.767 -33.171 1.602 1.00 1.53 ATOM 1619 CD1 LEU 97 11.766 -32.481 1.716 1.00 72.30 ATOM 1620 HD11 LEU 97 11.339 -33.432 1.429 1.00 41.41 ATOM 1621 HD12 LEU 97 11.159 -31.680 1.319 1.00 12.11 ATOM 1622 HD13 LEU 97 11.792 -32.412 2.794 1.00 62.44 ATOM 1623 CD2 LEU 97 13.202 -32.563 -0.347 1.00 72.34 ATOM 1624 HD21 LEU 97 14.223 -32.556 -0.697 1.00 44.33 ATOM 1625 HD22 LEU 97 12.652 -31.763 -0.821 1.00 2.24 ATOM 1626 HD23 LEU 97 12.746 -33.511 -0.594 1.00 51.11 ATOM 1627 C LEU 97 15.788 -29.464 1.589 1.00 22.04 ATOM 1628 O LEU 97 16.414 -29.442 2.653 1.00 71.01 ATOM 1629 N PRO 98 15.550 -28.336 0.890 1.00 74.02 ATOM 1630 CA PRO 98 15.980 -27.006 1.360 1.00 3.01 ATOM 1631 HA PRO 98 17.037 -26.995 1.594 1.00 20.30 ATOM 1632 CB PRO 98 15.713 -26.102 0.147 1.00 4.20 ATOM 1633 HB1 PRO 98 16.611 -26.021 -0.450 1.00 37.49 ATOM 1634 HB2 PRO 98 15.409 -25.118 0.480 1.00 62.24 ATOM 1635 CG PRO 98 14.622 -26.789 -0.605 1.00 65.34 ATOM 1636 HG1 PRO 98 14.675 -26.531 -1.654 1.00 37.49 ATOM 1637 HG2 PRO 98 13.659 -26.506 -0.199 1.00 34.43 ATOM 1638 CD PRO 98 14.857 -28.265 -0.414 1.00 11.11 ATOM 1639 HD1 PRO 98 15.484 -28.654 -1.205 1.00 37.49 ATOM 1640 HD2 PRO 98 13.917 -28.796 -0.380 1.00 33.22 ATOM 1641 C PRO 98 15.184 -26.519 2.589 1.00 54.41 ATOM 1642 O PRO 98 13.963 -26.659 2.650 1.00 53.44 ATOM 1643 N THR 99 15.882 -25.927 3.559 1.00 3.45 ATOM 1644 HN THR 99 16.849 -25.813 3.446 1.00 37.49 ATOM 1645 CA THR 99 15.239 -25.425 4.788 1.00 72.13 ATOM 1646 HA THR 99 14.498 -26.153 5.095 1.00 52.10 ATOM 1647 CB THR 99 16.264 -25.265 5.945 1.00 62.43 ATOM 1648 HB THR 99 16.723 -26.228 6.131 1.00 14.13 ATOM 1649 OG1 THR 99 15.604 -24.831 7.147 1.00 71.03 ATOM 1650 HG1 THR 99 16.178 -24.996 7.905 1.00 35.44 ATOM 1651 CG2 THR 99 17.364 -24.270 5.581 1.00 54.24 ATOM 1652 HG21 THR 99 17.894 -24.621 4.707 1.00 13.42 ATOM 1653 HG22 THR 99 18.056 -24.177 6.406 1.00 34.32 ATOM 1654 HG23 THR 99 16.923 -23.306 5.371 1.00 14.24 ATOM 1655 C THR 99 14.532 -24.079 4.547 1.00 42.23 ATOM 1656 O THR 99 13.764 -23.603 5.385 1.00 3.11 ATOM 1657 N SER 100 14.787 -23.473 3.385 1.00 54.12 ATOM 1658 HN SER 100 15.411 -23.898 2.757 1.00 37.49 ATOM 1659 CA SER 100 14.184 -22.177 3.028 1.00 2.42 ATOM 1660 HA SER 100 14.195 -21.558 3.914 1.00 3.41 ATOM 1661 CB SER 100 15.017 -21.481 1.939 1.00 4.41 ATOM 1662 HB1 SER 100 15.006 -22.083 1.042 1.00 37.49 ATOM 1663 HB2 SER 100 16.035 -21.371 2.283 1.00 35.44 ATOM 1664 OG SER 100 14.500 -20.190 1.631 1.00 35.44 ATOM 1665 HG SER 100 13.585 -20.274 1.333 1.00 55.33 ATOM 1666 C SER 100 12.726 -22.313 2.550 1.00 41.55 ATOM 1667 O SER 100 12.123 -21.338 2.097 1.00 13.13 ATOM 1668 N ILE 101 12.159 -23.516 2.638 1.00 45.52 ATOM 1669 HN ILE 101 12.690 -24.270 2.966 1.00 37.49 ATOM 1670 CA ILE 101 10.757 -23.733 2.260 1.00 72.20 ATOM 1671 HA ILE 101 10.621 -23.338 1.261 1.00 75.15 ATOM 1672 CB ILE 101 10.403 -25.243 2.236 1.00 23.02 ATOM 1673 HB ILE 101 10.601 -25.645 3.219 1.00 75.41 ATOM 1674 CG1 ILE 101 11.274 -25.986 1.209 1.00 41.44 ATOM 1675 HG11 ILE 101 12.316 -25.788 1.420 1.00 37.49 ATOM 1676 HG12 ILE 101 11.040 -25.627 0.218 1.00 13.44 ATOM 1677 CG2 ILE 101 8.916 -25.448 1.933 1.00 73.55 ATOM 1678 HG21 ILE 101 8.681 -25.021 0.969 1.00 63.42 ATOM 1679 HG22 ILE 101 8.322 -24.964 2.695 1.00 53.31 ATOM 1680 HG23 ILE 101 8.692 -26.505 1.923 1.00 71.10 ATOM 1681 CD1 ILE 101 11.079 -27.490 1.209 1.00 75.42 ATOM 1682 HD11 ILE 101 11.308 -27.882 2.190 1.00 71.43 ATOM 1683 HD12 ILE 101 11.739 -27.937 0.481 1.00 73.52 ATOM 1684 HD13 ILE 101 10.055 -27.723 0.958 1.00 31.42 ATOM 1685 C ILE 101 9.805 -22.996 3.221 1.00 31.31 ATOM 1686 O ILE 101 9.815 -23.243 4.427 1.00 62.11 ATOM 1687 N THR 102 8.974 -22.112 2.655 1.00 1.14 ATOM 1688 HN THR 102 8.973 -22.043 1.678 1.00 37.49 ATOM 1689 CA THR 102 8.071 -21.223 3.419 1.00 52.32 ATOM 1690 HA THR 102 8.653 -20.370 3.737 1.00 34.34 ATOM 1691 CB THR 102 6.923 -20.697 2.519 1.00 20.52 ATOM 1692 HB THR 102 6.403 -21.546 2.094 1.00 14.13 ATOM 1693 OG1 THR 102 7.452 -19.901 1.445 1.00 64.03 ATOM 1694 HG1 THR 102 8.414 -19.822 1.538 1.00 51.30 ATOM 1695 CG2 THR 102 5.917 -19.864 3.312 1.00 20.21 ATOM 1696 HG21 THR 102 5.145 -19.501 2.649 1.00 75.04 ATOM 1697 HG22 THR 102 6.423 -19.024 3.765 1.00 53.30 ATOM 1698 HG23 THR 102 5.469 -20.473 4.085 1.00 32.23 ATOM 1699 C THR 102 7.451 -21.877 4.668 1.00 72.20 ATOM 1700 O THR 102 7.444 -21.282 5.747 1.00 33.01 ATOM 1701 N SER 103 6.918 -23.086 4.524 1.00 21.20 ATOM 1702 HN SER 103 6.990 -23.541 3.659 1.00 37.49 ATOM 1703 CA SER 103 6.234 -23.755 5.642 1.00 2.25 ATOM 1704 HA SER 103 6.667 -23.384 6.560 1.00 10.02 ATOM 1705 CB SER 103 4.733 -23.412 5.629 1.00 2.12 ATOM 1706 HB1 SER 103 4.235 -23.962 6.415 1.00 37.49 ATOM 1707 HB2 SER 103 4.312 -23.691 4.675 1.00 64.04 ATOM 1708 OG SER 103 4.510 -22.020 5.835 1.00 32.43 ATOM 1709 HG SER 103 5.354 -21.573 5.975 1.00 14.21 ATOM 1710 C SER 103 6.422 -25.276 5.601 1.00 30.41 ATOM 1711 O SER 103 5.482 -26.030 5.857 1.00 14.42 ATOM 1712 N ALA 104 7.651 -25.717 5.319 1.00 3.30 ATOM 1713 HN ALA 104 8.363 -25.061 5.147 1.00 37.49 ATOM 1714 CA ALA 104 7.975 -27.154 5.256 1.00 0.11 ATOM 1715 HA ALA 104 7.515 -27.556 4.364 1.00 1.14 ATOM 1716 CB ALA 104 9.481 -27.352 5.140 1.00 44.34 ATOM 1717 HB1 ALA 104 9.838 -26.868 4.245 1.00 62.04 ATOM 1718 HB2 ALA 104 9.707 -28.408 5.090 1.00 0.51 ATOM 1719 HB3 ALA 104 9.971 -26.919 6.001 1.00 61.44 ATOM 1720 C ALA 104 7.443 -27.921 6.476 1.00 22.43 ATOM 1721 O ALA 104 6.838 -28.983 6.338 1.00 63.24 ATOM 1722 N ALA 105 7.669 -27.363 7.663 1.00 63.03 ATOM 1723 HN ALA 105 8.166 -26.521 7.700 1.00 37.49 ATOM 1724 CA ALA 105 7.211 -27.971 8.918 1.00 21.52 ATOM 1725 HA ALA 105 7.735 -28.910 9.042 1.00 4.32 ATOM 1726 CB ALA 105 7.578 -27.069 10.093 1.00 45.33 ATOM 1727 HB1 ALA 105 7.033 -26.139 10.018 1.00 61.24 ATOM 1728 HB2 ALA 105 8.639 -26.865 10.073 1.00 15.54 ATOM 1729 HB3 ALA 105 7.325 -27.561 11.021 1.00 4.20 ATOM 1730 C ALA 105 5.697 -28.242 8.913 1.00 1.22 ATOM 1731 O ALA 105 5.247 -29.332 9.268 1.00 34.22 ATOM 1732 N PHE 106 4.922 -27.248 8.491 1.00 42.54 ATOM 1733 HN PHE 106 5.343 -26.427 8.170 1.00 37.49 ATOM 1734 CA PHE 106 3.460 -27.349 8.480 1.00 53.34 ATOM 1735 HA PHE 106 3.143 -27.667 9.463 1.00 74.44 ATOM 1736 CB PHE 106 2.850 -25.969 8.186 1.00 31.05 ATOM 1737 HB1 PHE 106 3.132 -25.669 7.185 1.00 37.49 ATOM 1738 HB2 PHE 106 3.250 -25.253 8.890 1.00 74.32 ATOM 1739 CG PHE 106 1.342 -25.918 8.282 1.00 30.53 ATOM 1740 CD1 PHE 106 0.552 -25.984 7.140 1.00 34.21 ATOM 1741 HD1 PHE 106 1.026 -26.076 6.173 1.00 55.42 ATOM 1742 CD2 PHE 106 0.714 -25.801 9.516 1.00 73.21 ATOM 1743 HD2 PHE 106 1.314 -25.748 10.414 1.00 62.22 ATOM 1744 CE1 PHE 106 -0.827 -25.934 7.228 1.00 21.33 ATOM 1745 HE1 PHE 106 -1.429 -25.986 6.331 1.00 64.32 ATOM 1746 CE2 PHE 106 -0.665 -25.750 9.607 1.00 51.13 ATOM 1747 HE2 PHE 106 -1.140 -25.659 10.575 1.00 40.10 ATOM 1748 CZ PHE 106 -1.435 -25.817 8.463 1.00 4.13 ATOM 1749 HZ PHE 106 -2.513 -25.778 8.533 1.00 1.34 ATOM 1750 C PHE 106 2.976 -28.382 7.447 1.00 73.01 ATOM 1751 O PHE 106 2.063 -29.168 7.721 1.00 23.35 ATOM 1752 N THR 107 3.598 -28.375 6.267 1.00 14.33 ATOM 1753 HN THR 107 4.319 -27.725 6.114 1.00 37.49 ATOM 1754 CA THR 107 3.233 -29.299 5.182 1.00 71.35 ATOM 1755 HA THR 107 2.164 -29.229 5.032 1.00 52.11 ATOM 1756 CB THR 107 3.932 -28.913 3.853 1.00 61.40 ATOM 1757 HB THR 107 4.998 -29.051 3.972 1.00 30.34 ATOM 1758 OG1 THR 107 3.677 -27.534 3.540 1.00 34.22 ATOM 1759 HG1 THR 107 2.976 -27.476 2.884 1.00 21.32 ATOM 1760 CG2 THR 107 3.453 -29.795 2.702 1.00 3.41 ATOM 1761 HG21 THR 107 3.953 -29.501 1.791 1.00 1.22 ATOM 1762 HG22 THR 107 2.386 -29.680 2.578 1.00 33.23 ATOM 1763 HG23 THR 107 3.681 -30.828 2.920 1.00 31.54 ATOM 1764 C THR 107 3.592 -30.756 5.524 1.00 31.34 ATOM 1765 O THR 107 2.748 -31.649 5.439 1.00 4.32 ATOM 1766 N LEU 108 4.849 -30.989 5.910 1.00 61.11 ATOM 1767 HN LEU 108 5.477 -30.239 5.956 1.00 37.49 ATOM 1768 CA LEU 108 5.317 -32.336 6.278 1.00 52.02 ATOM 1769 HA LEU 108 5.195 -32.975 5.415 1.00 31.14 ATOM 1770 CB LEU 108 6.803 -32.296 6.664 1.00 63.54 ATOM 1771 HB1 LEU 108 7.092 -33.281 7.005 1.00 37.49 ATOM 1772 HB2 LEU 108 6.919 -31.603 7.486 1.00 45.40 ATOM 1773 CG LEU 108 7.766 -31.877 5.542 1.00 64.03 ATOM 1774 HG LEU 108 7.481 -30.897 5.183 1.00 42.24 ATOM 1775 CD1 LEU 108 9.198 -31.782 6.066 1.00 30.22 ATOM 1776 HD11 LEU 108 9.854 -31.457 5.271 1.00 11.24 ATOM 1777 HD12 LEU 108 9.519 -32.751 6.423 1.00 33.42 ATOM 1778 HD13 LEU 108 9.238 -31.069 6.878 1.00 72.02 ATOM 1779 CD2 LEU 108 7.682 -32.850 4.366 1.00 2.11 ATOM 1780 HD21 LEU 108 8.374 -32.545 3.594 1.00 34.12 ATOM 1781 HD22 LEU 108 6.678 -32.847 3.967 1.00 63.34 ATOM 1782 HD23 LEU 108 7.932 -33.847 4.701 1.00 4.41 ATOM 1783 C LEU 108 4.487 -32.909 7.437 1.00 43.41 ATOM 1784 O LEU 108 4.179 -34.102 7.469 1.00 60.31 ATOM 1785 N ARG 109 4.126 -32.034 8.378 1.00 31.12 ATOM 1786 HN ARG 109 4.480 -31.120 8.326 1.00 37.49 ATOM 1787 CA ARG 109 3.236 -32.380 9.495 1.00 23.31 ATOM 1788 HA ARG 109 3.753 -33.093 10.121 1.00 42.42 ATOM 1789 CB ARG 109 2.960 -31.097 10.318 1.00 13.43 ATOM 1790 HB1 ARG 109 2.528 -30.357 9.661 1.00 37.49 ATOM 1791 HB2 ARG 109 3.907 -30.719 10.674 1.00 35.22 ATOM 1792 CG ARG 109 2.039 -31.248 11.537 1.00 32.43 ATOM 1793 HG1 ARG 109 2.183 -30.394 12.188 1.00 37.49 ATOM 1794 HG2 ARG 109 2.315 -32.147 12.069 1.00 12.43 ATOM 1795 CD ARG 109 0.555 -31.339 11.166 1.00 33.31 ATOM 1796 HD1 ARG 109 -0.036 -31.196 12.062 1.00 37.49 ATOM 1797 HD2 ARG 109 0.358 -32.323 10.766 1.00 24.32 ATOM 1798 NE ARG 109 0.159 -30.342 10.170 1.00 3.52 ATOM 1799 HE ARG 109 0.835 -30.051 9.525 1.00 53.15 ATOM 1800 CZ ARG 109 -1.047 -29.855 10.056 1.00 73.14 ATOM 1801 NH1 ARG 109 -1.971 -30.172 10.907 1.00 60.13 ATOM 1802 HH11 ARG 109 -1.765 -30.791 11.656 1.00 73.25 ATOM 1803 HH12 ARG 109 -2.893 -29.797 10.808 1.00 11.15 ATOM 1804 NH2 ARG 109 -1.321 -29.045 9.087 1.00 74.15 ATOM 1805 HH21 ARG 109 -0.611 -28.797 8.432 1.00 54.33 ATOM 1806 HH22 ARG 109 -2.244 -28.680 8.988 1.00 2.31 ATOM 1807 C ARG 109 1.930 -33.019 8.982 1.00 35.14 ATOM 1808 O ARG 109 1.434 -33.992 9.555 1.00 13.41 ATOM 1809 N THR 110 1.380 -32.460 7.905 1.00 30.23 ATOM 1810 HN THR 110 1.813 -31.674 7.506 1.00 37.49 ATOM 1811 CA THR 110 0.143 -32.978 7.299 1.00 4.24 ATOM 1812 HA THR 110 -0.562 -33.172 8.097 1.00 23.24 ATOM 1813 CB THR 110 -0.490 -31.945 6.335 1.00 44.21 ATOM 1814 HB THR 110 0.204 -31.757 5.526 1.00 10.23 ATOM 1815 OG1 THR 110 -0.741 -30.714 7.027 1.00 74.32 ATOM 1816 HG1 THR 110 -1.691 -30.602 7.138 1.00 23.14 ATOM 1817 CG2 THR 110 -1.799 -32.464 5.741 1.00 0.41 ATOM 1818 HG21 THR 110 -2.212 -31.722 5.073 1.00 5.22 ATOM 1819 HG22 THR 110 -2.502 -32.661 6.537 1.00 53.34 ATOM 1820 HG23 THR 110 -1.612 -33.377 5.193 1.00 12.21 ATOM 1821 C THR 110 0.391 -34.282 6.526 1.00 64.14 ATOM 1822 O THR 110 -0.342 -35.261 6.685 1.00 73.33 ATOM 1823 N GLN 111 1.429 -34.287 5.686 1.00 50.11 ATOM 1824 HN GLN 111 1.994 -33.487 5.628 1.00 37.49 ATOM 1825 CA GLN 111 1.748 -35.453 4.848 1.00 34.14 ATOM 1826 HA GLN 111 0.892 -35.645 4.215 1.00 60.51 ATOM 1827 CB GLN 111 2.966 -35.159 3.955 1.00 1.11 ATOM 1828 HB1 GLN 111 3.114 -35.994 3.284 1.00 37.49 ATOM 1829 HB2 GLN 111 3.842 -35.056 4.581 1.00 51.50 ATOM 1830 CG GLN 111 2.832 -33.891 3.112 1.00 40.53 ATOM 1831 HG1 GLN 111 3.711 -33.798 2.488 1.00 37.49 ATOM 1832 HG2 GLN 111 2.779 -33.040 3.775 1.00 11.15 ATOM 1833 CD GLN 111 1.598 -33.880 2.215 1.00 42.41 ATOM 1834 OE1 GLN 111 1.044 -32.827 1.921 1.00 52.52 ATOM 1835 NE2 GLN 111 1.166 -35.040 1.756 1.00 4.34 ATOM 1836 HE21 GLN 111 1.651 -35.849 2.006 1.00 72.31 ATOM 1837 HE22 GLN 111 0.373 -35.036 1.179 1.00 32.42 ATOM 1838 C GLN 111 2.018 -36.708 5.698 1.00 33.13 ATOM 1839 O GLN 111 1.449 -37.775 5.451 1.00 64.25 ATOM 1840 N TYR 112 2.883 -36.567 6.701 1.00 21.12 ATOM 1841 HN TYR 112 3.315 -35.696 6.837 1.00 37.49 ATOM 1842 CA TYR 112 3.213 -37.673 7.610 1.00 12.13 ATOM 1843 HA TYR 112 3.664 -38.463 7.025 1.00 65.21 ATOM 1844 CB TYR 112 4.217 -37.198 8.673 1.00 14.00 ATOM 1845 HB1 TYR 112 3.716 -36.521 9.353 1.00 37.49 ATOM 1846 HB2 TYR 112 5.020 -36.666 8.183 1.00 52.34 ATOM 1847 CG TYR 112 4.838 -38.317 9.500 1.00 73.31 ATOM 1848 CD1 TYR 112 4.124 -38.953 10.515 1.00 55.21 ATOM 1849 HD1 TYR 112 3.107 -38.646 10.714 1.00 23.10 ATOM 1850 CD2 TYR 112 6.145 -38.732 9.266 1.00 71.04 ATOM 1851 HD2 TYR 112 6.717 -38.252 8.486 1.00 62.40 ATOM 1852 CE1 TYR 112 4.694 -39.965 11.265 1.00 3.42 ATOM 1853 HE1 TYR 112 4.122 -40.444 12.049 1.00 70.34 ATOM 1854 CE2 TYR 112 6.718 -39.743 10.012 1.00 24.35 ATOM 1855 HE2 TYR 112 7.736 -40.047 9.815 1.00 74.22 ATOM 1856 CZ TYR 112 5.991 -40.355 11.010 1.00 30.52 ATOM 1857 OH TYR 112 6.563 -41.364 11.752 1.00 75.00 ATOM 1858 HH TYR 112 7.449 -41.107 12.014 1.00 41.22 ATOM 1859 C TYR 112 1.947 -38.215 8.292 1.00 4.42 ATOM 1860 O TYR 112 1.738 -39.427 8.373 1.00 22.50 ATOM 1861 N MET 113 1.104 -37.295 8.761 1.00 42.41 ATOM 1862 HN MET 113 1.322 -36.347 8.633 1.00 37.49 ATOM 1863 CA MET 113 -0.136 -37.641 9.464 1.00 74.32 ATOM 1864 HA MET 113 0.132 -38.168 10.368 1.00 74.42 ATOM 1865 CB MET 113 -0.881 -36.356 9.843 1.00 44.32 ATOM 1866 HB1 MET 113 -1.176 -35.848 8.936 1.00 37.49 ATOM 1867 HB2 MET 113 -0.210 -35.716 10.398 1.00 51.31 ATOM 1868 CG MET 113 -2.127 -36.582 10.690 1.00 65.13 ATOM 1869 HG1 MET 113 -1.831 -37.021 11.632 1.00 37.49 ATOM 1870 HG2 MET 113 -2.786 -37.262 10.168 1.00 34.31 ATOM 1871 SD MET 113 -3.021 -35.049 11.021 1.00 21.52 ATOM 1872 CE MET 113 -1.736 -34.079 11.806 1.00 73.41 ATOM 1873 HE1 MET 113 -0.903 -33.969 11.130 1.00 21.05 ATOM 1874 HE2 MET 113 -1.406 -34.577 12.707 1.00 22.22 ATOM 1875 HE3 MET 113 -2.127 -33.105 12.056 1.00 55.51 ATOM 1876 C MET 113 -1.052 -38.540 8.616 1.00 44.22 ATOM 1877 O MET 113 -1.692 -39.456 9.132 1.00 43.02 ATOM 1878 N LYS 114 -1.109 -38.268 7.315 1.00 40.20 ATOM 1879 HN LYS 114 -0.555 -37.541 6.957 1.00 37.49 ATOM 1880 CA LYS 114 -1.984 -39.015 6.405 1.00 4.53 ATOM 1881 HA LYS 114 -2.964 -39.065 6.856 1.00 43.40 ATOM 1882 CB LYS 114 -2.098 -38.279 5.060 1.00 51.22 ATOM 1883 HB1 LYS 114 -2.700 -38.876 4.389 1.00 37.49 ATOM 1884 HB2 LYS 114 -1.108 -38.174 4.638 1.00 75.42 ATOM 1885 CG LYS 114 -2.722 -36.891 5.152 1.00 53.55 ATOM 1886 HG1 LYS 114 -2.118 -36.279 5.807 1.00 37.49 ATOM 1887 HG2 LYS 114 -3.719 -36.980 5.562 1.00 11.43 ATOM 1888 CD LYS 114 -2.808 -36.217 3.783 1.00 4.43 ATOM 1889 HD1 LYS 114 -1.808 -36.084 3.394 1.00 37.49 ATOM 1890 HD2 LYS 114 -3.280 -35.251 3.899 1.00 70.42 ATOM 1891 CE LYS 114 -3.621 -37.047 2.791 1.00 11.30 ATOM 1892 HE1 LYS 114 -4.604 -37.215 3.204 1.00 37.49 ATOM 1893 HE2 LYS 114 -3.129 -37.998 2.645 1.00 44.15 ATOM 1894 NZ LYS 114 -3.759 -36.373 1.471 1.00 65.34 ATOM 1895 HZ1 LYS 114 -2.840 -36.332 0.985 1.00 63.53 ATOM 1896 HZ2 LYS 114 -4.112 -35.402 1.601 1.00 53.13 ATOM 1897 HZ3 LYS 114 -4.433 -36.894 0.874 1.00 11.54 ATOM 1898 C LYS 114 -1.483 -40.446 6.148 1.00 64.23 ATOM 1899 O LYS 114 -2.248 -41.408 6.236 1.00 25.13 ATOM 1900 N TYR 115 -0.197 -40.579 5.823 1.00 3.24 ATOM 1901 HN TYR 115 0.402 -39.809 5.927 1.00 37.49 ATOM 1902 CA TYR 115 0.342 -41.850 5.310 1.00 44.34 ATOM 1903 HA TYR 115 -0.497 -42.463 5.012 1.00 3.25 ATOM 1904 CB TYR 115 1.203 -41.575 4.064 1.00 13.21 ATOM 1905 HB1 TYR 115 1.493 -42.516 3.619 1.00 37.49 ATOM 1906 HB2 TYR 115 2.091 -41.033 4.358 1.00 20.11 ATOM 1907 CG TYR 115 0.483 -40.756 3.001 1.00 50.21 ATOM 1908 CD1 TYR 115 -0.341 -41.366 2.059 1.00 4.13 ATOM 1909 HD1 TYR 115 -0.455 -42.439 2.078 1.00 21.42 ATOM 1910 CD2 TYR 115 0.616 -39.372 2.953 1.00 12.53 ATOM 1911 HD2 TYR 115 1.251 -38.880 3.675 1.00 31.22 ATOM 1912 CE1 TYR 115 -1.009 -40.620 1.105 1.00 3.12 ATOM 1913 HE1 TYR 115 -1.646 -41.113 0.383 1.00 64.45 ATOM 1914 CE2 TYR 115 -0.046 -38.622 2.001 1.00 52.10 ATOM 1915 HE2 TYR 115 0.073 -37.548 1.983 1.00 43.41 ATOM 1916 CZ TYR 115 -0.857 -39.248 1.081 1.00 33.42 ATOM 1917 OH TYR 115 -1.527 -38.497 0.137 1.00 53.25 ATOM 1918 HH TYR 115 -0.952 -37.784 -0.172 1.00 34.22 ATOM 1919 C TYR 115 1.163 -42.633 6.357 1.00 74.33 ATOM 1920 O TYR 115 0.950 -43.828 6.556 1.00 20.04 ATOM 1921 N LEU 116 2.092 -41.959 7.030 1.00 14.13 ATOM 1922 HN LEU 116 2.123 -40.984 6.953 1.00 37.49 ATOM 1923 CA LEU 116 3.069 -42.643 7.896 1.00 3.21 ATOM 1924 HA LEU 116 3.206 -43.642 7.509 1.00 1.24 ATOM 1925 CB LEU 116 4.411 -41.907 7.821 1.00 25.42 ATOM 1926 HB1 LEU 116 5.113 -42.406 8.475 1.00 37.49 ATOM 1927 HB2 LEU 116 4.264 -40.897 8.182 1.00 41.11 ATOM 1928 CG LEU 116 5.031 -41.835 6.413 1.00 65.32 ATOM 1929 HG LEU 116 4.301 -41.426 5.727 1.00 40.41 ATOM 1930 CD1 LEU 116 6.247 -40.916 6.403 1.00 11.43 ATOM 1931 HD11 LEU 116 5.955 -39.927 6.726 1.00 25.43 ATOM 1932 HD12 LEU 116 6.647 -40.859 5.400 1.00 14.23 ATOM 1933 HD13 LEU 116 7.003 -41.305 7.071 1.00 43.10 ATOM 1934 CD2 LEU 116 5.412 -43.229 5.920 1.00 43.10 ATOM 1935 HD21 LEU 116 4.531 -43.856 5.890 1.00 63.52 ATOM 1936 HD22 LEU 116 6.140 -43.665 6.590 1.00 33.11 ATOM 1937 HD23 LEU 116 5.835 -43.159 4.928 1.00 1.40 ATOM 1938 C LEU 116 2.606 -42.751 9.361 1.00 3.21 ATOM 1939 O LEU 116 3.088 -43.604 10.112 1.00 73.34 ATOM 1940 N TYR 117 1.664 -41.898 9.757 1.00 74.23 ATOM 1941 HN TYR 117 1.266 -41.292 9.096 1.00 37.49 ATOM 1942 CA TYR 117 1.197 -41.842 11.153 1.00 62.22 ATOM 1943 HA TYR 117 2.058 -41.610 11.765 1.00 40.43 ATOM 1944 CB TYR 117 0.169 -40.714 11.326 1.00 12.41 ATOM 1945 HB1 TYR 117 -0.698 -40.933 10.718 1.00 37.49 ATOM 1946 HB2 TYR 117 0.608 -39.786 10.989 1.00 63.24 ATOM 1947 CG TYR 117 -0.300 -40.507 12.756 1.00 32.11 ATOM 1948 CD1 TYR 117 -1.625 -40.734 13.118 1.00 61.22 ATOM 1949 HD1 TYR 117 -2.326 -41.066 12.365 1.00 72.21 ATOM 1950 CD2 TYR 117 0.584 -40.082 13.743 1.00 45.44 ATOM 1951 HD2 TYR 117 1.615 -39.900 13.482 1.00 32.22 ATOM 1952 CE1 TYR 117 -2.054 -40.542 14.418 1.00 61.03 ATOM 1953 HE1 TYR 117 -3.088 -40.724 14.678 1.00 41.25 ATOM 1954 CE2 TYR 117 0.162 -39.888 15.046 1.00 23.15 ATOM 1955 HE2 TYR 117 0.864 -39.557 15.797 1.00 4.22 ATOM 1956 CZ TYR 117 -1.156 -40.119 15.379 1.00 34.45 ATOM 1957 OH TYR 117 -1.581 -39.928 16.675 1.00 65.43 ATOM 1958 HH TYR 117 -1.173 -39.136 17.032 1.00 2.00 ATOM 1959 C TYR 117 0.613 -43.188 11.645 1.00 33.34 ATOM 1960 O TYR 117 0.962 -43.646 12.737 1.00 3.11 ATOM 1961 N PRO 118 -0.283 -43.849 10.866 1.00 34.22 ATOM 1962 CA PRO 118 -0.845 -45.159 11.256 1.00 3.22 ATOM 1963 HA PRO 118 -1.491 -45.063 12.118 1.00 71.32 ATOM 1964 CB PRO 118 -1.683 -45.578 10.031 1.00 1.02 ATOM 1965 HB1 PRO 118 -2.733 -45.435 10.246 1.00 37.49 ATOM 1966 HB2 PRO 118 -1.503 -46.618 9.800 1.00 74.55 ATOM 1967 CG PRO 118 -1.234 -44.689 8.919 1.00 32.43 ATOM 1968 HG1 PRO 118 -2.047 -44.522 8.229 1.00 37.49 ATOM 1969 HG2 PRO 118 -0.391 -45.133 8.406 1.00 31.53 ATOM 1970 CD PRO 118 -0.830 -43.397 9.571 1.00 2.40 ATOM 1971 HD1 PRO 118 -1.690 -42.756 9.714 1.00 37.49 ATOM 1972 HD2 PRO 118 -0.076 -42.894 8.982 1.00 54.44 ATOM 1973 C PRO 118 0.241 -46.211 11.555 1.00 71.43 ATOM 1974 O PRO 118 0.086 -47.042 12.454 1.00 5.22 ATOM 1975 N TYR 119 1.340 -46.163 10.800 1.00 14.22 ATOM 1976 HN TYR 119 1.415 -45.466 10.114 1.00 37.49 ATOM 1977 CA TYR 119 2.445 -47.114 10.974 1.00 62.44 ATOM 1978 HA TYR 119 2.016 -48.103 11.066 1.00 33.01 ATOM 1979 CB TYR 119 3.371 -47.083 9.745 1.00 21.41 ATOM 1980 HB1 TYR 119 3.983 -46.192 9.786 1.00 37.49 ATOM 1981 HB2 TYR 119 2.766 -47.052 8.850 1.00 14.33 ATOM 1982 CG TYR 119 4.300 -48.285 9.635 1.00 23.32 ATOM 1983 CD1 TYR 119 5.510 -48.324 10.318 1.00 33.35 ATOM 1984 HD1 TYR 119 5.789 -47.484 10.936 1.00 4.35 ATOM 1985 CD2 TYR 119 3.963 -49.383 8.843 1.00 34.21 ATOM 1986 HD2 TYR 119 3.028 -49.374 8.303 1.00 2.43 ATOM 1987 CE1 TYR 119 6.354 -49.413 10.218 1.00 25.21 ATOM 1988 HE1 TYR 119 7.290 -49.420 10.758 1.00 44.11 ATOM 1989 CE2 TYR 119 4.805 -50.475 8.738 1.00 11.32 ATOM 1990 HE2 TYR 119 4.526 -51.314 8.117 1.00 12.41 ATOM 1991 CZ TYR 119 5.998 -50.485 9.427 1.00 23.40 ATOM 1992 OH TYR 119 6.839 -51.572 9.329 1.00 62.53 ATOM 1993 HH TYR 119 6.988 -51.784 8.395 1.00 3.10 ATOM 1994 C TYR 119 3.237 -46.801 12.256 1.00 35.31 ATOM 1995 O TYR 119 3.560 -47.705 13.033 1.00 54.54 ATOM 1996 N GLU 120 3.535 -45.515 12.475 1.00 41.41 ATOM 1997 HN GLU 120 3.285 -44.847 11.800 1.00 37.49 ATOM 1998 CA GLU 120 4.234 -45.071 13.691 1.00 70.33 ATOM 1999 HA GLU 120 5.199 -45.559 13.713 1.00 33.53 ATOM 2000 CB GLU 120 4.444 -43.538 13.656 1.00 20.13 ATOM 2001 HB1 GLU 120 3.493 -43.055 13.837 1.00 37.49 ATOM 2002 HB2 GLU 120 4.782 -43.264 12.666 1.00 24.11 ATOM 2003 CG GLU 120 5.463 -42.991 14.673 1.00 34.34 ATOM 2004 HG1 GLU 120 5.966 -42.141 14.227 1.00 37.49 ATOM 2005 HG2 GLU 120 6.194 -43.760 14.874 1.00 74.20 ATOM 2006 CD GLU 120 4.856 -42.548 16.007 1.00 60.22 ATOM 2007 OE1 GLU 120 4.608 -43.415 16.872 1.00 41.24 ATOM 2008 OE2 GLU 120 4.655 -41.323 16.203 1.00 65.03 ATOM 2009 C GLU 120 3.443 -45.485 14.941 1.00 51.30 ATOM 2010 O GLU 120 3.982 -46.116 15.850 1.00 44.34 ATOM 2011 N CYS 121 2.152 -45.154 14.957 1.00 60.25 ATOM 2012 HN CYS 121 1.784 -44.656 14.195 1.00 37.49 ATOM 2013 CA CYS 121 1.266 -45.500 16.078 1.00 50.52 ATOM 2014 HA CYS 121 1.644 -45.002 16.959 1.00 23.03 ATOM 2015 CB CYS 121 -0.160 -45.003 15.804 1.00 33.40 ATOM 2016 HB1 CYS 121 -0.814 -45.350 16.592 1.00 37.49 ATOM 2017 HB2 CYS 121 -0.498 -45.406 14.862 1.00 51.21 ATOM 2018 SG CYS 121 -0.319 -43.204 15.714 1.00 54.13 ATOM 2019 HG CYS 121 0.778 -42.726 15.143 1.00 30.14 ATOM 2020 C CYS 121 1.228 -47.013 16.346 1.00 32.31 ATOM 2021 O CYS 121 1.269 -47.450 17.498 1.00 42.02 ATOM 2022 N GLU 122 1.150 -47.807 15.278 1.00 74.12 ATOM 2023 HN GLU 122 1.183 -47.406 14.383 1.00 37.49 ATOM 2024 CA GLU 122 1.013 -49.264 15.404 1.00 22.21 ATOM 2025 HA GLU 122 0.217 -49.459 16.110 1.00 31.24 ATOM 2026 CB GLU 122 0.629 -49.881 14.050 1.00 23.12 ATOM 2027 HB1 GLU 122 1.452 -49.746 13.361 1.00 37.49 ATOM 2028 HB2 GLU 122 -0.237 -49.362 13.664 1.00 11.00 ATOM 2029 CG GLU 122 0.301 -51.373 14.119 1.00 0.01 ATOM 2030 HG1 GLU 122 1.093 -51.877 14.655 1.00 37.49 ATOM 2031 HG2 GLU 122 0.250 -51.764 13.112 1.00 24.23 ATOM 2032 CD GLU 122 -1.021 -51.659 14.821 1.00 32.11 ATOM 2033 OE1 GLU 122 -2.027 -51.921 14.126 1.00 55.11 ATOM 2034 OE2 GLU 122 -1.069 -51.610 16.070 1.00 65.15 ATOM 2035 C GLU 122 2.303 -49.925 15.921 1.00 20.42 ATOM 2036 O GLU 122 2.289 -50.637 16.925 1.00 51.12 ATOM 2037 N LYS 123 3.414 -49.686 15.228 1.00 11.33 ATOM 2038 HN LYS 123 3.382 -49.046 14.483 1.00 37.49 ATOM 2039 CA LYS 123 4.687 -50.352 15.545 1.00 64.01 ATOM 2040 HA LYS 123 4.463 -51.377 15.804 1.00 52.22 ATOM 2041 CB LYS 123 5.599 -50.348 14.313 1.00 65.23 ATOM 2042 HB1 LYS 123 6.535 -50.829 14.568 1.00 37.49 ATOM 2043 HB2 LYS 123 5.799 -49.324 14.030 1.00 22.24 ATOM 2044 CG LYS 123 5.006 -51.070 13.104 1.00 4.30 ATOM 2045 HG1 LYS 123 5.677 -50.950 12.264 1.00 37.49 ATOM 2046 HG2 LYS 123 4.051 -50.624 12.866 1.00 14.20 ATOM 2047 CD LYS 123 4.805 -52.562 13.368 1.00 61.43 ATOM 2048 HD1 LYS 123 4.131 -52.684 14.204 1.00 37.49 ATOM 2049 HD2 LYS 123 5.759 -53.007 13.610 1.00 74.51 ATOM 2050 CE LYS 123 4.222 -53.280 12.154 1.00 25.44 ATOM 2051 HE1 LYS 123 4.862 -53.104 11.302 1.00 37.49 ATOM 2052 HE2 LYS 123 3.238 -52.882 11.952 1.00 50.12 ATOM 2053 NZ LYS 123 4.109 -54.746 12.379 1.00 40.01 ATOM 2054 HZ1 LYS 123 5.049 -55.149 12.581 1.00 50.22 ATOM 2055 HZ2 LYS 123 3.722 -55.214 11.534 1.00 11.43 ATOM 2056 HZ3 LYS 123 3.483 -54.940 13.185 1.00 31.32 ATOM 2057 C LYS 123 5.408 -49.698 16.735 1.00 62.25 ATOM 2058 O LYS 123 6.093 -50.376 17.501 1.00 64.25 ATOM 2059 N ARG 124 5.259 -48.383 16.882 1.00 64.12 ATOM 2060 HN ARG 124 4.701 -47.895 16.241 1.00 37.49 ATOM 2061 CA ARG 124 5.903 -47.642 17.977 1.00 72.45 ATOM 2062 HA ARG 124 6.563 -48.326 18.495 1.00 62.14 ATOM 2063 CB ARG 124 6.742 -46.482 17.415 1.00 30.42 ATOM 2064 HB1 ARG 124 6.980 -45.803 18.221 1.00 37.49 ATOM 2065 HB2 ARG 124 6.156 -45.953 16.677 1.00 40.22 ATOM 2066 CG ARG 124 8.050 -46.915 16.760 1.00 33.31 ATOM 2067 HG1 ARG 124 8.502 -46.056 16.282 1.00 37.49 ATOM 2068 HG2 ARG 124 7.838 -47.671 16.018 1.00 13.41 ATOM 2069 CD ARG 124 9.028 -47.485 17.785 1.00 30.23 ATOM 2070 HD1 ARG 124 8.602 -48.384 18.207 1.00 37.49 ATOM 2071 HD2 ARG 124 9.174 -46.755 18.569 1.00 53.31 ATOM 2072 NE ARG 124 10.320 -47.807 17.189 1.00 1.14 ATOM 2073 HE ARG 124 10.339 -48.021 16.237 1.00 25.41 ATOM 2074 CZ ARG 124 11.447 -47.833 17.847 1.00 62.05 ATOM 2075 NH1 ARG 124 11.483 -47.545 19.111 1.00 51.11 ATOM 2076 HH11 ARG 124 10.644 -47.300 19.592 1.00 52.44 ATOM 2077 HH12 ARG 124 12.352 -47.567 19.602 1.00 72.23 ATOM 2078 NH2 ARG 124 12.539 -48.145 17.229 1.00 0.20 ATOM 2079 HH21 ARG 124 12.512 -48.364 16.255 1.00 33.23 ATOM 2080 HH22 ARG 124 13.404 -48.163 17.724 1.00 22.10 ATOM 2081 C ARG 124 4.878 -47.099 18.988 1.00 32.34 ATOM 2082 O ARG 124 4.729 -47.638 20.089 1.00 4.44 ATOM 2083 N GLY 125 4.172 -46.036 18.609 1.00 12.31 ATOM 2084 HN GLY 125 4.256 -45.705 17.686 1.00 37.49 ATOM 2085 CA GLY 125 3.271 -45.360 19.537 1.00 32.41 ATOM 2086 HA1 GLY 125 2.906 -46.076 20.261 1.00 37.49 ATOM 2087 HA2 GLY 125 2.431 -44.965 18.983 1.00 1.20 ATOM 2088 C GLY 125 3.961 -44.216 20.276 1.00 44.24 ATOM 2089 O GLY 125 3.630 -43.910 21.425 1.00 0.55 ATOM 2090 N LEU 126 4.923 -43.585 19.608 1.00 22.42 ATOM 2091 HN LEU 126 5.111 -43.857 18.684 1.00 37.49 ATOM 2092 CA LEU 126 5.697 -42.483 20.189 1.00 53.25 ATOM 2093 HA LEU 126 6.065 -42.804 21.153 1.00 2.20 ATOM 2094 CB LEU 126 6.893 -42.153 19.282 1.00 54.43 ATOM 2095 HB1 LEU 126 7.415 -41.307 19.705 1.00 37.49 ATOM 2096 HB2 LEU 126 6.509 -41.867 18.310 1.00 34.34 ATOM 2097 CG LEU 126 7.906 -43.295 19.084 1.00 73.31 ATOM 2098 HG LEU 126 7.383 -44.171 18.730 1.00 34.34 ATOM 2099 CD1 LEU 126 8.952 -42.921 18.035 1.00 43.42 ATOM 2100 HD11 LEU 126 8.462 -42.706 17.096 1.00 43.45 ATOM 2101 HD12 LEU 126 9.639 -43.744 17.900 1.00 25.05 ATOM 2102 HD13 LEU 126 9.499 -42.048 18.364 1.00 52.03 ATOM 2103 CD2 LEU 126 8.579 -43.653 20.409 1.00 73.31 ATOM 2104 HD21 LEU 126 9.092 -42.786 20.800 1.00 54.10 ATOM 2105 HD22 LEU 126 9.290 -44.450 20.249 1.00 15.10 ATOM 2106 HD23 LEU 126 7.830 -43.978 21.118 1.00 4.12 ATOM 2107 C LEU 126 4.829 -41.235 20.382 1.00 53.34 ATOM 2108 O LEU 126 5.061 -40.434 21.293 1.00 44.23 ATOM 2109 N SER 127 3.835 -41.064 19.514 1.00 43.51 ATOM 2110 HN SER 127 3.729 -41.706 18.776 1.00 37.49 ATOM 2111 CA SER 127 2.900 -39.937 19.623 1.00 22.04 ATOM 2112 HA SER 127 3.197 -39.339 20.473 1.00 15.15 ATOM 2113 CB SER 127 2.942 -39.063 18.364 1.00 74.15 ATOM 2114 HB1 SER 127 2.496 -38.104 18.590 1.00 37.49 ATOM 2115 HB2 SER 127 2.381 -39.534 17.576 1.00 32.04 ATOM 2116 OG SER 127 4.269 -38.848 17.912 1.00 65.31 ATOM 2117 HG SER 127 4.600 -39.666 17.509 1.00 44.43 ATOM 2118 C SER 127 1.462 -40.422 19.843 1.00 52.42 ATOM 2119 O SER 127 1.103 -41.542 19.472 1.00 64.15 ATOM 2120 N ASN 128 0.642 -39.570 20.449 1.00 44.44 ATOM 2121 HN ASN 128 1.006 -38.724 20.787 1.00 37.49 ATOM 2122 CA ASN 128 -0.781 -39.865 20.649 1.00 52.32 ATOM 2123 HA ASN 128 -0.963 -40.885 20.340 1.00 51.14 ATOM 2124 CB ASN 128 -1.151 -39.715 22.129 1.00 24.31 ATOM 2125 HB1 ASN 128 -2.173 -40.038 22.270 1.00 37.49 ATOM 2126 HB2 ASN 128 -1.071 -38.676 22.409 1.00 45.22 ATOM 2127 CG ASN 128 -0.260 -40.531 23.050 1.00 55.43 ATOM 2128 OD1 ASN 128 -0.543 -41.685 23.345 1.00 11.42 ATOM 2129 ND2 ASN 128 0.822 -39.939 23.509 1.00 2.04 ATOM 2130 HD21 ASN 128 0.995 -39.015 23.238 1.00 22.25 ATOM 2131 HD22 ASN 128 1.406 -40.444 24.106 1.00 23.54 ATOM 2132 C ASN 128 -1.659 -38.922 19.807 1.00 62.35 ATOM 2133 O ASN 128 -1.287 -37.775 19.555 1.00 24.32 ATOM 2134 N PRO 129 -2.845 -39.383 19.368 1.00 2.45 ATOM 2135 CA PRO 129 -3.792 -38.538 18.616 1.00 71.43 ATOM 2136 HA PRO 129 -3.335 -38.141 17.718 1.00 43.34 ATOM 2137 CB PRO 129 -4.919 -39.512 18.236 1.00 44.51 ATOM 2138 HB1 PRO 129 -4.758 -39.879 17.233 1.00 37.49 ATOM 2139 HB2 PRO 129 -5.875 -39.009 18.290 1.00 51.44 ATOM 2140 CG PRO 129 -4.822 -40.613 19.238 1.00 4.24 ATOM 2141 HG1 PRO 129 -5.205 -41.532 18.817 1.00 37.49 ATOM 2142 HG2 PRO 129 -5.375 -40.350 20.130 1.00 55.42 ATOM 2143 CD PRO 129 -3.359 -40.754 19.554 1.00 71.10 ATOM 2144 HD1 PRO 129 -2.883 -41.440 18.867 1.00 37.49 ATOM 2145 HD2 PRO 129 -3.220 -41.082 20.576 1.00 42.32 ATOM 2146 C PRO 129 -4.334 -37.374 19.463 1.00 74.53 ATOM 2147 O PRO 129 -4.790 -36.359 18.930 1.00 75.12 ATOM 2148 N ASN 130 -4.270 -37.527 20.788 1.00 34.41 ATOM 2149 HN ASN 130 -3.915 -38.365 21.147 1.00 37.49 ATOM 2150 CA ASN 130 -4.724 -36.487 21.717 1.00 65.13 ATOM 2151 HA ASN 130 -5.673 -36.114 21.354 1.00 32.52 ATOM 2152 CB ASN 130 -4.927 -37.074 23.120 1.00 0.34 ATOM 2153 HB1 ASN 130 -5.483 -36.369 23.722 1.00 37.49 ATOM 2154 HB2 ASN 130 -3.964 -37.249 23.578 1.00 1.34 ATOM 2155 CG ASN 130 -5.692 -38.387 23.085 1.00 23.33 ATOM 2156 OD1 ASN 130 -6.916 -38.405 23.042 1.00 53.30 ATOM 2157 ND2 ASN 130 -4.980 -39.498 23.131 1.00 43.30 ATOM 2158 HD21 ASN 130 -4.007 -39.425 23.194 1.00 34.23 ATOM 2159 HD22 ASN 130 -5.461 -40.356 23.103 1.00 51.35 ATOM 2160 C ASN 130 -3.722 -35.320 21.766 1.00 72.52 ATOM 2161 O ASN 130 -4.076 -34.173 21.486 1.00 51.50 ATOM 2162 N GLU 131 -2.468 -35.622 22.119 1.00 40.13 ATOM 2163 HN GLU 131 -2.254 -36.543 22.384 1.00 37.49 ATOM 2164 CA GLU 131 -1.402 -34.608 22.143 1.00 60.33 ATOM 2165 HA GLU 131 -1.710 -33.829 22.828 1.00 25.50 ATOM 2166 CB GLU 131 -0.080 -35.214 22.649 1.00 63.13 ATOM 2167 HB1 GLU 131 -0.261 -35.688 23.605 1.00 37.49 ATOM 2168 HB2 GLU 131 0.636 -34.420 22.791 1.00 43.12 ATOM 2169 CG GLU 131 0.544 -36.251 21.719 1.00 43.45 ATOM 2170 HG1 GLU 131 0.639 -35.826 20.728 1.00 37.49 ATOM 2171 HG2 GLU 131 -0.109 -37.112 21.675 1.00 5.11 ATOM 2172 CD GLU 131 1.919 -36.703 22.187 1.00 70.43 ATOM 2173 OE1 GLU 131 2.184 -37.918 22.174 1.00 72.22 ATOM 2174 OE2 GLU 131 2.736 -35.841 22.575 1.00 3.24 ATOM 2175 C GLU 131 -1.200 -33.981 20.753 1.00 23.04 ATOM 2176 O GLU 131 -0.870 -32.802 20.636 1.00 50.43 ATOM 2177 N LEU 132 -1.407 -34.783 19.706 1.00 33.54 ATOM 2178 HN LEU 132 -1.621 -35.726 19.871 1.00 37.49 ATOM 2179 CA LEU 132 -1.309 -34.312 18.317 1.00 30.11 ATOM 2180 HA LEU 132 -0.268 -34.104 18.113 1.00 12.03 ATOM 2181 CB LEU 132 -1.792 -35.415 17.360 1.00 75.21 ATOM 2182 HB1 LEU 132 -2.813 -35.661 17.619 1.00 37.49 ATOM 2183 HB2 LEU 132 -1.181 -36.292 17.524 1.00 71.15 ATOM 2184 CG LEU 132 -1.748 -35.071 15.859 1.00 14.45 ATOM 2185 HG LEU 132 -2.352 -34.191 15.683 1.00 0.34 ATOM 2186 CD1 LEU 132 -0.324 -34.756 15.409 1.00 73.11 ATOM 2187 HD11 LEU 132 0.054 -33.912 15.967 1.00 71.11 ATOM 2188 HD12 LEU 132 -0.323 -34.517 14.356 1.00 13.53 ATOM 2189 HD13 LEU 132 0.310 -35.615 15.582 1.00 74.23 ATOM 2190 CD2 LEU 132 -2.334 -36.214 15.031 1.00 43.32 ATOM 2191 HD21 LEU 132 -3.364 -36.375 15.314 1.00 45.02 ATOM 2192 HD22 LEU 132 -1.768 -37.118 15.207 1.00 1.53 ATOM 2193 HD23 LEU 132 -2.287 -35.960 13.981 1.00 61.03 ATOM 2194 C LEU 132 -2.123 -33.027 18.090 1.00 62.22 ATOM 2195 O LEU 132 -1.612 -32.041 17.557 1.00 63.52 ATOM 2196 N GLN 133 -3.387 -33.040 18.511 1.00 4.32 ATOM 2197 HN GLN 133 -3.738 -33.846 18.946 1.00 37.49 ATOM 2198 CA GLN 133 -4.267 -31.879 18.339 1.00 14.33 ATOM 2199 HA GLN 133 -4.255 -31.615 17.290 1.00 23.40 ATOM 2200 CB GLN 133 -5.705 -32.238 18.741 1.00 23.53 ATOM 2201 HB1 GLN 133 -5.725 -32.466 19.798 1.00 37.49 ATOM 2202 HB2 GLN 133 -6.009 -33.117 18.191 1.00 73.34 ATOM 2203 CG GLN 133 -6.725 -31.133 18.471 1.00 23.23 ATOM 2204 HG1 GLN 133 -6.487 -30.280 19.091 1.00 37.49 ATOM 2205 HG2 GLN 133 -7.709 -31.497 18.730 1.00 3.21 ATOM 2206 CD GLN 133 -6.740 -30.688 17.015 1.00 43.22 ATOM 2207 OE1 GLN 133 -7.445 -31.253 16.186 1.00 51.13 ATOM 2208 NE2 GLN 133 -5.966 -29.668 16.694 1.00 64.43 ATOM 2209 HE21 GLN 133 -5.429 -29.253 17.400 1.00 14.31 ATOM 2210 HE22 GLN 133 -5.963 -29.370 15.762 1.00 44.30 ATOM 2211 C GLN 133 -3.766 -30.671 19.151 1.00 33.21 ATOM 2212 O GLN 133 -3.901 -29.523 18.723 1.00 62.00 ATOM 2213 N ALA 134 -3.181 -30.940 20.317 1.00 41.41 ATOM 2214 HN ALA 134 -3.130 -31.870 20.620 1.00 37.49 ATOM 2215 CA ALA 134 -2.603 -29.887 21.160 1.00 5.14 ATOM 2216 HA ALA 134 -3.359 -29.128 21.315 1.00 65.55 ATOM 2217 CB ALA 134 -2.223 -30.464 22.517 1.00 52.24 ATOM 2218 HB1 ALA 134 -1.820 -29.682 23.145 1.00 74.33 ATOM 2219 HB2 ALA 134 -1.480 -31.237 22.384 1.00 11.53 ATOM 2220 HB3 ALA 134 -3.099 -30.885 22.988 1.00 71.25 ATOM 2221 C ALA 134 -1.377 -29.248 20.484 1.00 11.01 ATOM 2222 O ALA 134 -1.193 -28.027 20.516 1.00 34.33 ATOM 2223 N ALA 135 -0.546 -30.089 19.869 1.00 34.34 ATOM 2224 HN ALA 135 -0.713 -31.054 19.937 1.00 37.49 ATOM 2225 CA ALA 135 0.616 -29.624 19.103 1.00 33.10 ATOM 2226 HA ALA 135 1.276 -29.094 19.778 1.00 34.04 ATOM 2227 CB ALA 135 1.373 -30.817 18.529 1.00 71.03 ATOM 2228 HB1 ALA 135 2.269 -30.472 18.031 1.00 23.25 ATOM 2229 HB2 ALA 135 0.743 -31.336 17.815 1.00 71.51 ATOM 2230 HB3 ALA 135 1.643 -31.494 19.327 1.00 0.34 ATOM 2231 C ALA 135 0.189 -28.684 17.967 1.00 31.01 ATOM 2232 O ALA 135 0.697 -27.568 17.829 1.00 73.43 ATOM 2233 N ILE 136 -0.761 -29.154 17.163 1.00 23.54 ATOM 2234 HN ILE 136 -1.125 -30.049 17.340 1.00 37.49 ATOM 2235 CA ILE 136 -1.281 -28.391 16.022 1.00 14.24 ATOM 2236 HA ILE 136 -0.444 -28.135 15.387 1.00 52.32 ATOM 2237 CB ILE 136 -2.260 -29.263 15.202 1.00 73.01 ATOM 2238 HB ILE 136 -3.097 -29.519 15.836 1.00 13.14 ATOM 2239 CG1 ILE 136 -1.549 -30.554 14.764 1.00 40.23 ATOM 2240 HG11 ILE 136 -1.028 -30.976 15.612 1.00 37.49 ATOM 2241 HG12 ILE 136 -0.831 -30.320 13.991 1.00 21.40 ATOM 2242 CG2 ILE 136 -2.797 -28.496 13.989 1.00 30.52 ATOM 2243 HG21 ILE 136 -3.325 -27.614 14.324 1.00 2.50 ATOM 2244 HG22 ILE 136 -3.475 -29.128 13.434 1.00 55.40 ATOM 2245 HG23 ILE 136 -1.975 -28.203 13.351 1.00 22.23 ATOM 2246 CD1 ILE 136 -2.480 -31.612 14.222 1.00 21.51 ATOM 2247 HD11 ILE 136 -3.228 -31.848 14.965 1.00 54.44 ATOM 2248 HD12 ILE 136 -1.911 -32.500 13.992 1.00 22.23 ATOM 2249 HD13 ILE 136 -2.960 -31.247 13.327 1.00 1.41 ATOM 2250 C ILE 136 -1.978 -27.095 16.472 1.00 5.34 ATOM 2251 O ILE 136 -1.838 -26.051 15.833 1.00 14.41 ATOM 2252 N ASP 137 -2.723 -27.168 17.576 1.00 42.11 ATOM 2253 HN ASP 137 -2.863 -28.041 17.998 1.00 37.49 ATOM 2254 CA ASP 137 -3.342 -25.980 18.176 1.00 54.31 ATOM 2255 HA ASP 137 -4.083 -25.598 17.485 1.00 33.12 ATOM 2256 CB ASP 137 -4.025 -26.368 19.496 1.00 73.42 ATOM 2257 HB1 ASP 137 -3.264 -26.609 20.227 1.00 37.49 ATOM 2258 HB2 ASP 137 -4.638 -27.242 19.329 1.00 34.11 ATOM 2259 CG ASP 137 -4.905 -25.265 20.063 1.00 4.15 ATOM 2260 OD1 ASP 137 -4.372 -24.292 20.634 1.00 12.21 ATOM 2261 OD2 ASP 137 -6.145 -25.382 19.965 1.00 73.31 ATOM 2262 C ASP 137 -2.276 -24.899 18.425 1.00 51.14 ATOM 2263 O ASP 137 -2.454 -23.729 18.078 1.00 33.04 ATOM 2264 N SER 138 -1.154 -25.322 19.009 1.00 74.35 ATOM 2265 HN SER 138 -1.099 -26.257 19.303 1.00 37.49 ATOM 2266 CA SER 138 -0.007 -24.435 19.234 1.00 14.23 ATOM 2267 HA SER 138 -0.355 -23.588 19.810 1.00 74.31 ATOM 2268 CB SER 138 1.088 -25.161 20.031 1.00 45.43 ATOM 2269 HB1 SER 138 1.929 -24.497 20.177 1.00 37.49 ATOM 2270 HB2 SER 138 1.412 -26.033 19.481 1.00 34.13 ATOM 2271 OG SER 138 0.611 -25.581 21.304 1.00 4.53 ATOM 2272 HG SER 138 0.189 -26.448 21.219 1.00 72.10 ATOM 2273 C SER 138 0.567 -23.923 17.904 1.00 4.45 ATOM 2274 O SER 138 0.898 -22.747 17.779 1.00 10.32 ATOM 2275 N ASN 139 0.655 -24.806 16.902 1.00 75.14 ATOM 2276 HN ASN 139 0.345 -25.727 17.051 1.00 37.49 ATOM 2277 CA ASN 139 1.190 -24.431 15.579 1.00 54.25 ATOM 2278 HA ASN 139 2.204 -24.087 15.729 1.00 40.30 ATOM 2279 CB ASN 139 1.220 -25.642 14.632 1.00 73.13 ATOM 2280 HB1 ASN 139 1.359 -25.294 13.617 1.00 37.49 ATOM 2281 HB2 ASN 139 0.276 -26.163 14.697 1.00 13.41 ATOM 2282 CG ASN 139 2.326 -26.638 14.952 1.00 62.23 ATOM 2283 OD1 ASN 139 2.854 -27.296 14.065 1.00 63.44 ATOM 2284 ND2 ASN 139 2.693 -26.761 16.213 1.00 61.04 ATOM 2285 HD21 ASN 139 2.245 -26.210 16.884 1.00 12.04 ATOM 2286 HD22 ASN 139 3.387 -27.414 16.423 1.00 63.03 ATOM 2287 C ASN 139 0.384 -23.287 14.938 1.00 5.22 ATOM 2288 O ASN 139 0.930 -22.477 14.183 1.00 52.13 ATOM 2289 N ARG 140 -0.915 -23.233 15.226 1.00 50.24 ATOM 2290 HN ARG 140 -1.319 -23.959 15.750 1.00 37.49 ATOM 2291 CA ARG 140 -1.758 -22.120 14.773 1.00 52.44 ATOM 2292 HA ARG 140 -1.494 -21.892 13.749 1.00 0.23 ATOM 2293 CB ARG 140 -3.246 -22.499 14.839 1.00 70.33 ATOM 2294 HB1 ARG 140 -3.820 -21.738 14.329 1.00 37.49 ATOM 2295 HB2 ARG 140 -3.552 -22.528 15.876 1.00 75.24 ATOM 2296 CG ARG 140 -3.577 -23.850 14.208 1.00 3.24 ATOM 2297 HG1 ARG 140 -3.053 -24.626 14.748 1.00 37.49 ATOM 2298 HG2 ARG 140 -3.250 -23.844 13.180 1.00 22.44 ATOM 2299 CD ARG 140 -5.076 -24.144 14.248 1.00 12.15 ATOM 2300 HD1 ARG 140 -5.229 -25.194 14.039 1.00 37.49 ATOM 2301 HD2 ARG 140 -5.567 -23.553 13.488 1.00 1.21 ATOM 2302 NE ARG 140 -5.664 -23.821 15.550 1.00 31.33 ATOM 2303 HE ARG 140 -5.595 -22.895 15.855 1.00 54.41 ATOM 2304 CZ ARG 140 -6.276 -24.669 16.329 1.00 14.34 ATOM 2305 NH1 ARG 140 -6.398 -25.915 16.001 1.00 54.03 ATOM 2306 HH11 ARG 140 -6.020 -26.244 15.138 1.00 42.12 ATOM 2307 HH12 ARG 140 -6.869 -26.546 16.616 1.00 11.52 ATOM 2308 NH2 ARG 140 -6.762 -24.260 17.453 1.00 2.24 ATOM 2309 HH21 ARG 140 -6.664 -23.300 17.715 1.00 30.24 ATOM 2310 HH22 ARG 140 -7.223 -24.902 18.060 1.00 5.42 ATOM 2311 C ARG 140 -1.506 -20.878 15.642 1.00 2.42 ATOM 2312 O ARG 140 -1.381 -19.762 15.139 1.00 24.32 ATOM 2313 N ARG 141 -1.416 -21.101 16.952 1.00 40.34 ATOM 2314 HN ARG 141 -1.507 -22.022 17.280 1.00 37.49 ATOM 2315 CA ARG 141 -1.189 -20.027 17.929 1.00 30.53 ATOM 2316 HA ARG 141 -1.994 -19.312 17.831 1.00 13.42 ATOM 2317 CB ARG 141 -1.221 -20.623 19.344 1.00 21.33 ATOM 2318 HB1 ARG 141 -0.317 -21.196 19.500 1.00 37.49 ATOM 2319 HB2 ARG 141 -2.070 -21.288 19.420 1.00 62.11 ATOM 2320 CG ARG 141 -1.328 -19.590 20.461 1.00 32.53 ATOM 2321 HG1 ARG 141 -2.227 -19.007 20.313 1.00 37.49 ATOM 2322 HG2 ARG 141 -0.465 -18.940 20.421 1.00 35.24 ATOM 2323 CD ARG 141 -1.386 -20.252 21.836 1.00 51.03 ATOM 2324 HD1 ARG 141 -1.636 -19.502 22.572 1.00 37.49 ATOM 2325 HD2 ARG 141 -0.414 -20.666 22.064 1.00 61.11 ATOM 2326 NE ARG 141 -2.383 -21.322 21.888 1.00 5.21 ATOM 2327 HE ARG 141 -2.740 -21.646 21.038 1.00 15.55 ATOM 2328 CZ ARG 141 -2.795 -21.896 22.986 1.00 55.12 ATOM 2329 NH1 ARG 141 -2.399 -21.473 24.143 1.00 15.13 ATOM 2330 HH11 ARG 141 -1.767 -20.703 24.204 1.00 24.45 ATOM 2331 HH12 ARG 141 -2.734 -21.913 24.973 1.00 60.14 ATOM 2332 NH2 ARG 141 -3.612 -22.894 22.922 1.00 54.53 ATOM 2333 HH21 ARG 141 -3.926 -23.226 22.034 1.00 45.52 ATOM 2334 HH22 ARG 141 -3.920 -23.341 23.762 1.00 62.11 ATOM 2335 C ARG 141 0.154 -19.309 17.687 1.00 71.55 ATOM 2336 O ARG 141 0.299 -18.119 17.971 1.00 3.14 ATOM 2337 N GLU 142 1.131 -20.052 17.162 1.00 65.44 ATOM 2338 HN GLU 142 0.963 -21.005 17.002 1.00 37.49 ATOM 2339 CA GLU 142 2.455 -19.500 16.833 1.00 62.45 ATOM 2340 HA GLU 142 2.813 -18.965 17.703 1.00 55.33 ATOM 2341 CB GLU 142 3.437 -20.641 16.516 1.00 73.21 ATOM 2342 HB1 GLU 142 4.368 -20.214 16.168 1.00 37.49 ATOM 2343 HB2 GLU 142 3.019 -21.255 15.729 1.00 35.44 ATOM 2344 CG GLU 142 3.742 -21.540 17.712 1.00 32.40 ATOM 2345 HG1 GLU 142 2.807 -21.877 18.139 1.00 37.49 ATOM 2346 HG2 GLU 142 4.279 -20.962 18.450 1.00 33.43 ATOM 2347 CD GLU 142 4.578 -22.758 17.347 1.00 22.04 ATOM 2348 OE1 GLU 142 5.818 -22.632 17.256 1.00 0.31 ATOM 2349 OE2 GLU 142 4.002 -23.853 17.162 1.00 23.45 ATOM 2350 C GLU 142 2.391 -18.518 15.648 1.00 3.33 ATOM 2351 O GLU 142 3.333 -17.758 15.406 1.00 23.03 ATOM 2352 N GLY 143 1.281 -18.541 14.912 1.00 42.21 ATOM 2353 HN GLY 143 0.569 -19.173 15.145 1.00 37.49 ATOM 2354 CA GLY 143 1.101 -17.638 13.780 1.00 74.45 ATOM 2355 HA1 GLY 143 0.996 -18.228 12.881 1.00 37.49 ATOM 2356 HA2 GLY 143 1.977 -17.010 13.683 1.00 0.14 ATOM 2357 C GLY 143 -0.128 -16.745 13.931 1.00 25.24 ATOM 2358 O GLY 143 -1.220 -17.098 13.480 1.00 32.22 ATOM 2359 N ARG 144 0.047 -15.586 14.567 1.00 30.14 ATOM 2360 HN ARG 144 0.948 -15.349 14.885 1.00 37.49 ATOM 2361 CA ARG 144 -1.062 -14.649 14.802 1.00 52.34 ATOM 2362 HA ARG 144 -1.839 -14.885 14.085 1.00 63.43 ATOM 2363 CB ARG 144 -1.641 -14.841 16.222 1.00 22.14 ATOM 2364 HB1 ARG 144 -2.290 -15.706 16.210 1.00 37.49 ATOM 2365 HB2 ARG 144 -2.234 -13.973 16.475 1.00 64.34 ATOM 2366 CG ARG 144 -0.604 -15.044 17.334 1.00 1.35 ATOM 2367 HG1 ARG 144 0.032 -15.876 17.063 1.00 37.49 ATOM 2368 HG2 ARG 144 -1.122 -15.281 18.251 1.00 40.35 ATOM 2369 CD ARG 144 0.274 -13.814 17.577 1.00 35.23 ATOM 2370 HD1 ARG 144 0.869 -13.635 16.693 1.00 37.49 ATOM 2371 HD2 ARG 144 0.930 -14.017 18.412 1.00 22.00 ATOM 2372 NE ARG 144 -0.514 -12.610 17.867 1.00 25.32 ATOM 2373 HE ARG 144 -0.943 -12.163 17.116 1.00 23.03 ATOM 2374 CZ ARG 144 -0.642 -12.074 19.053 1.00 1.01 ATOM 2375 NH1 ARG 144 -0.139 -12.646 20.096 1.00 55.15 ATOM 2376 HH11 ARG 144 0.355 -13.508 20.005 1.00 62.13 ATOM 2377 HH12 ARG 144 -0.243 -12.220 20.992 1.00 50.51 ATOM 2378 NH2 ARG 144 -1.289 -10.965 19.191 1.00 64.11 ATOM 2379 HH21 ARG 144 -1.689 -10.517 18.391 1.00 22.34 ATOM 2380 HH22 ARG 144 -1.389 -10.555 20.097 1.00 63.12 ATOM 2381 C ARG 144 -0.648 -13.184 14.578 1.00 61.44 ATOM 2382 O ARG 144 0.522 -12.879 14.350 1.00 51.43 ATOM 2383 N ARG 145 -1.626 -12.283 14.637 1.00 14.03 ATOM 2384 HN ARG 145 -2.549 -12.593 14.767 1.00 37.49 ATOM 2385 HA ARG 145 -0.550 -10.713 13.813 1.00 12.01 ATOM 2386 CB ARG 145 -2.612 -10.148 13.914 1.00 55.31 ATOM 2387 HB1 ARG 145 -2.459 -9.078 13.939 1.00 37.49 ATOM 2388 HB2 ARG 145 -3.468 -10.391 14.528 1.00 3.51 ATOM 2389 CG ARG 145 -2.921 -10.555 12.474 1.00 12.51 ATOM 2390 HG1 ARG 145 -3.848 -10.087 12.170 1.00 37.49 ATOM 2391 HG2 ARG 145 -3.028 -11.630 12.427 1.00 23.22 ATOM 2392 CD ARG 145 -1.813 -10.126 11.517 1.00 4.22 ATOM 2393 HD1 ARG 145 -2.099 -10.393 10.510 1.00 37.49 ATOM 2394 HD2 ARG 145 -0.902 -10.644 11.781 1.00 54.44 ATOM 2395 NE ARG 145 -1.579 -8.683 11.578 1.00 71.24 ATOM 2396 HE ARG 145 -2.229 -8.141 12.069 1.00 5.53 ATOM 2397 CZ ARG 145 -0.564 -8.073 11.031 1.00 2.44 ATOM 2398 NH1 ARG 145 0.321 -8.736 10.358 1.00 60.10 ATOM 2399 HH11 ARG 145 0.231 -9.721 10.255 1.00 60.51 ATOM 2400 HH12 ARG 145 1.088 -8.256 9.937 1.00 73.40 ATOM 2401 NH2 ARG 145 -0.443 -6.792 11.163 1.00 22.43 ATOM 2402 HH21 ARG 145 -1.127 -6.280 11.681 1.00 40.34 ATOM 2403 HH22 ARG 145 0.334 -6.317 10.754 1.00 4.02 ATOM 2404 CA ARG 145 -1.374 -10.840 14.501 1.00 24.13 ATOM 2405 C ARG 145 -0.993 -10.201 15.850 1.00 41.45 ATOM 2406 OT1 ARG 145 0.213 -9.958 16.081 1.00 37.49 ATOM 2407 OT2 ARG 145 -1.898 -9.971 16.683 1.00 37.49 ATOM 2408 OH2 TIP3 1 1.539 -51.951 -12.792 1.00 0.00 WAT1 ATOM 2409 H1 TIP3 1 1.619 -52.211 -11.853 1.00 0.00 WAT1 ATOM 2410 H2 TIP3 1 0.668 -51.489 -12.836 1.00 0.00 WAT1 ATOM 2411 OH2 TIP3 2 -5.339 -46.683 -13.370 1.00 0.00 WAT1 ATOM 2412 H1 TIP3 2 -4.783 -46.423 -14.134 1.00 0.00 WAT1 ATOM 2413 H2 TIP3 2 -4.684 -46.970 -12.681 1.00 0.00 WAT1 ATOM 2414 OH2 TIP3 3 -6.208 -49.314 -13.427 1.00 0.00 WAT1 ATOM 2415 H1 TIP3 3 -7.156 -49.242 -13.153 1.00 0.00 WAT1 ATOM 2416 H2 TIP3 3 -5.933 -48.385 -13.572 1.00 0.00 WAT1 ATOM 2417 OH2 TIP3 4 -6.419 -52.032 -13.591 1.00 0.00 WAT1 ATOM 2418 H1 TIP3 4 -5.846 -52.360 -14.287 1.00 0.00 WAT1 ATOM 2419 H2 TIP3 4 -6.276 -51.059 -13.599 1.00 0.00 WAT1 ATOM 2420 OH2 TIP3 5 -0.057 -50.082 -16.854 1.00 0.00 WAT1 ATOM 2421 H1 TIP3 5 -0.259 -49.473 -16.104 1.00 0.00 WAT1 ATOM 2422 H2 TIP3 5 0.915 -49.986 -16.984 1.00 0.00 WAT1 ATOM 2423 OH2 TIP3 6 -1.238 -49.429 -19.190 1.00 0.00 WAT1 ATOM 2424 H1 TIP3 6 -0.808 -49.661 -18.329 1.00 0.00 WAT1 ATOM 2425 H2 TIP3 6 -1.888 -50.131 -19.324 1.00 0.00 WAT1 ATOM 2426 OH2 TIP3 7 -0.834 -50.749 -12.371 1.00 0.00 WAT1 ATOM 2427 H1 TIP3 7 -1.386 -51.321 -11.800 1.00 0.00 WAT1 ATOM 2428 H2 TIP3 7 -1.476 -50.152 -12.804 1.00 0.00 WAT1 ATOM 2429 OH2 TIP3 8 -8.686 -49.392 -12.368 1.00 0.00 WAT1 ATOM 2430 H1 TIP3 8 -9.158 -49.017 -11.603 1.00 0.00 WAT1 ATOM 2431 H2 TIP3 8 -8.732 -50.356 -12.224 1.00 0.00 WAT1 ATOM 2432 OH2 TIP3 9 -0.928 -47.214 -20.855 1.00 0.00 WAT1 ATOM 2433 H1 TIP3 9 -1.029 -48.045 -20.345 1.00 0.00 WAT1 ATOM 2434 H2 TIP3 9 -1.695 -46.669 -20.573 1.00 0.00 WAT1 ATOM 2435 OH2 TIP3 10 -2.721 -49.063 -13.505 1.00 0.00 WAT1 ATOM 2436 H1 TIP3 10 -3.507 -49.382 -13.962 1.00 0.00 WAT1 ATOM 2437 H2 TIP3 10 -3.081 -48.590 -12.712 1.00 0.00 WAT1 ATOM 2438 OH2 TIP3 11 -9.066 -56.818 -2.933 1.00 0.00 WAT1 ATOM 2439 H1 TIP3 11 -8.729 -57.304 -2.164 1.00 0.00 WAT1 ATOM 2440 H2 TIP3 11 -9.288 -57.522 -3.581 1.00 0.00 WAT1 ATOM 2441 OH2 TIP3 12 -8.427 -54.159 -3.179 1.00 0.00 WAT1 ATOM 2442 H1 TIP3 12 -7.648 -54.399 -3.691 1.00 0.00 WAT1 ATOM 2443 H2 TIP3 12 -8.916 -55.008 -3.079 1.00 0.00 WAT1 ATOM 2444 OH2 TIP3 13 1.739 -60.461 3.653 1.00 0.00 WAT1 ATOM 2445 H1 TIP3 13 2.557 -60.454 3.114 1.00 0.00 WAT1 ATOM 2446 H2 TIP3 13 2.066 -60.479 4.581 1.00 0.00 WAT1 ATOM 2447 OH2 TIP3 14 -2.489 -51.876 -6.214 1.00 0.00 WAT1 ATOM 2448 H1 TIP3 14 -2.848 -51.180 -5.643 1.00 0.00 WAT1 ATOM 2449 H2 TIP3 14 -2.528 -51.491 -7.111 1.00 0.00 WAT1 ATOM 2450 OH2 TIP3 15 -2.245 -48.230 -2.256 1.00 0.00 WAT1 ATOM 2451 H1 TIP3 15 -2.185 -47.827 -3.134 1.00 0.00 WAT1 ATOM 2452 H2 TIP3 15 -1.901 -49.123 -2.381 1.00 0.00 WAT1 ATOM 2453 OH2 TIP3 16 0.049 -51.718 -7.709 1.00 0.00 WAT1 ATOM 2454 H1 TIP3 16 -0.650 -51.178 -8.139 1.00 0.00 WAT1 ATOM 2455 H2 TIP3 16 -0.399 -52.104 -6.934 1.00 0.00 WAT1 ATOM 2456 OH2 TIP3 17 -2.645 -59.709 -2.451 1.00 0.00 WAT1 ATOM 2457 H1 TIP3 17 -3.025 -58.794 -2.426 1.00 0.00 WAT1 ATOM 2458 H2 TIP3 17 -3.364 -60.253 -2.784 1.00 0.00 WAT1 ATOM 2459 OH2 TIP3 18 -6.802 -61.086 -0.647 1.00 0.00 WAT1 ATOM 2460 H1 TIP3 18 -7.462 -61.441 -1.260 1.00 0.00 WAT1 ATOM 2461 H2 TIP3 18 -6.922 -60.120 -0.704 1.00 0.00 WAT1 ATOM 2462 OH2 TIP3 19 -8.228 -58.236 1.721 1.00 0.00 WAT1 ATOM 2463 H1 TIP3 19 -7.780 -57.650 2.358 1.00 0.00 WAT1 ATOM 2464 H2 TIP3 19 -8.325 -59.080 2.204 1.00 0.00 WAT1 ATOM 2465 OH2 TIP3 20 -6.955 -49.331 -7.322 1.00 0.00 WAT1 ATOM 2466 H1 TIP3 20 -6.757 -48.491 -7.793 1.00 0.00 WAT1 ATOM 2467 H2 TIP3 20 -7.166 -49.960 -8.045 1.00 0.00 WAT1 ATOM 2468 OH2 TIP3 21 -10.504 -57.574 6.899 1.00 0.00 WAT1 ATOM 2469 H1 TIP3 21 -11.392 -57.826 7.160 1.00 0.00 WAT1 ATOM 2470 H2 TIP3 21 -10.356 -56.715 7.352 1.00 0.00 WAT1 ATOM 2471 OH2 TIP3 22 -5.386 -50.122 -10.882 1.00 0.00 WAT1 ATOM 2472 H1 TIP3 22 -4.713 -49.463 -10.605 1.00 0.00 WAT1 ATOM 2473 H2 TIP3 22 -5.614 -49.856 -11.792 1.00 0.00 WAT1 ATOM 2474 OH2 TIP3 23 -9.671 -51.896 3.527 1.00 0.00 WAT1 ATOM 2475 H1 TIP3 23 -8.826 -51.419 3.427 1.00 0.00 WAT1 ATOM 2476 H2 TIP3 23 -10.352 -51.218 3.342 1.00 0.00 WAT1 ATOM 2477 OH2 TIP3 24 -9.632 -49.026 -9.736 1.00 0.00 WAT1 ATOM 2478 H1 TIP3 24 -8.865 -49.630 -9.611 1.00 0.00 WAT1 ATOM 2479 H2 TIP3 24 -10.306 -49.375 -9.143 1.00 0.00 WAT1 ATOM 2480 OH2 TIP3 25 -6.029 -47.320 -8.889 1.00 0.00 WAT1 ATOM 2481 H1 TIP3 25 -5.190 -47.808 -9.085 1.00 0.00 WAT1 ATOM 2482 H2 TIP3 25 -5.744 -46.570 -8.354 1.00 0.00 WAT1 ATOM 2483 OH2 TIP3 26 -3.739 -49.277 -5.880 1.00 0.00 WAT1 ATOM 2484 H1 TIP3 26 -3.157 -48.505 -5.693 1.00 0.00 WAT1 ATOM 2485 H2 TIP3 26 -3.914 -49.215 -6.830 1.00 0.00 WAT1 ATOM 2486 OH2 TIP3 27 -5.380 -60.138 3.989 1.00 0.00 WAT1 ATOM 2487 H1 TIP3 27 -5.530 -60.614 3.142 1.00 0.00 WAT1 ATOM 2488 H2 TIP3 27 -4.857 -60.768 4.524 1.00 0.00 WAT1 ATOM 2489 OH2 TIP3 28 -2.981 -61.681 2.645 1.00 0.00 WAT1 ATOM 2490 H1 TIP3 28 -3.337 -61.912 3.530 1.00 0.00 WAT1 ATOM 2491 H2 TIP3 28 -2.023 -61.708 2.763 1.00 0.00 WAT1 ATOM 2492 OH2 TIP3 29 -5.810 -61.695 1.802 1.00 0.00 WAT1 ATOM 2493 H1 TIP3 29 -4.893 -62.005 1.715 1.00 0.00 WAT1 ATOM 2494 H2 TIP3 29 -6.117 -61.584 0.871 1.00 0.00 WAT1 ATOM 2495 OH2 TIP3 30 -9.295 -60.531 -2.062 1.00 0.00 WAT1 ATOM 2496 H1 TIP3 30 -9.994 -60.647 -1.410 1.00 0.00 WAT1 ATOM 2497 H2 TIP3 30 -8.781 -59.760 -1.729 1.00 0.00 WAT1 ATOM 2498 OH2 TIP3 31 -4.364 -56.689 1.178 1.00 0.00 WAT1 ATOM 2499 H1 TIP3 31 -3.794 -56.146 0.588 1.00 0.00 WAT1 ATOM 2500 H2 TIP3 31 -3.956 -57.581 1.151 1.00 0.00 WAT1 ATOM 2501 OH2 TIP3 32 -7.863 -58.506 -0.931 1.00 0.00 WAT1 ATOM 2502 H1 TIP3 32 -7.169 -57.818 -1.060 1.00 0.00 WAT1 ATOM 2503 H2 TIP3 32 -8.139 -58.388 0.013 1.00 0.00 WAT1 ATOM 2504 OH2 TIP3 33 -9.168 -53.931 1.673 1.00 0.00 WAT1 ATOM 2505 H1 TIP3 33 -9.356 -54.746 2.148 1.00 0.00 WAT1 ATOM 2506 H2 TIP3 33 -9.412 -53.223 2.303 1.00 0.00 WAT1 ATOM 2507 OH2 TIP3 34 1.360 -52.689 -10.059 1.00 0.00 WAT1 ATOM 2508 H1 TIP3 34 0.644 -53.356 -10.100 1.00 0.00 WAT1 ATOM 2509 H2 TIP3 34 1.125 -52.142 -9.286 1.00 0.00 WAT1 ATOM 2510 OH2 TIP3 35 -9.590 -59.089 -4.411 1.00 0.00 WAT1 ATOM 2511 H1 TIP3 35 -9.871 -59.566 -5.195 1.00 0.00 WAT1 ATOM 2512 H2 TIP3 35 -9.521 -59.778 -3.720 1.00 0.00 WAT1 ATOM 2513 OH2 TIP3 36 -7.491 -54.172 -0.497 1.00 0.00 WAT1 ATOM 2514 H1 TIP3 36 -8.013 -54.001 -1.299 1.00 0.00 WAT1 ATOM 2515 H2 TIP3 36 -8.126 -54.025 0.241 1.00 0.00 WAT1 ATOM 2516 OH2 TIP3 37 -6.123 -56.462 -0.894 1.00 0.00 WAT1 ATOM 2517 H1 TIP3 37 -6.601 -55.603 -0.800 1.00 0.00 WAT1 ATOM 2518 H2 TIP3 37 -5.573 -56.516 -0.084 1.00 0.00 WAT1 ATOM 2519 OH2 TIP3 38 -0.679 -54.609 -9.926 1.00 0.00 WAT1 ATOM 2520 H1 TIP3 38 -0.805 -55.077 -9.091 1.00 0.00 WAT1 ATOM 2521 H2 TIP3 38 -0.094 -55.208 -10.452 1.00 0.00 WAT1 ATOM 2522 OH2 TIP3 39 -2.286 -52.489 -10.780 1.00 0.00 WAT1 ATOM 2523 H1 TIP3 39 -3.161 -52.874 -10.909 1.00 0.00 WAT1 ATOM 2524 H2 TIP3 39 -1.733 -53.245 -10.478 1.00 0.00 WAT1 ATOM 2525 OH2 TIP3 40 -1.629 -62.903 6.696 1.00 0.00 WAT1 ATOM 2526 H1 TIP3 40 -0.992 -63.620 6.618 1.00 0.00 WAT1 ATOM 2527 H2 TIP3 40 -1.222 -62.161 6.182 1.00 0.00 WAT1 ATOM 2528 OH2 TIP3 41 -11.322 -49.659 2.929 1.00 0.00 WAT1 ATOM 2529 H1 TIP3 41 -11.861 -48.836 2.867 1.00 0.00 WAT1 ATOM 2530 H2 TIP3 41 -10.826 -49.675 2.079 1.00 0.00 WAT1 ATOM 2531 OH2 TIP3 42 -8.469 -52.111 -11.813 1.00 0.00 WAT1 ATOM 2532 H1 TIP3 42 -9.062 -52.794 -12.139 1.00 0.00 WAT1 ATOM 2533 H2 TIP3 42 -7.670 -52.188 -12.391 1.00 0.00 WAT1 ATOM 2534 OH2 TIP3 43 -8.212 -55.387 5.667 1.00 0.00 WAT1 ATOM 2535 H1 TIP3 43 -7.972 -55.562 6.599 1.00 0.00 WAT1 ATOM 2536 H2 TIP3 43 -8.982 -54.792 5.728 1.00 0.00 WAT1 ATOM 2537 OH2 TIP3 44 -7.037 -57.180 4.039 1.00 0.00 WAT1 ATOM 2538 H1 TIP3 44 -7.414 -56.376 4.469 1.00 0.00 WAT1 ATOM 2539 H2 TIP3 44 -7.432 -57.922 4.548 1.00 0.00 WAT1 ATOM 2540 OH2 TIP3 45 -8.554 -58.890 5.529 1.00 0.00 WAT1 ATOM 2541 H1 TIP3 45 -9.312 -58.394 5.927 1.00 0.00 WAT1 ATOM 2542 H2 TIP3 45 -8.973 -59.513 4.914 1.00 0.00 WAT1 ATOM 2543 OH2 TIP3 46 1.317 -55.992 -11.164 1.00 0.00 WAT1 ATOM 2544 H1 TIP3 46 1.576 -56.488 -11.953 1.00 0.00 WAT1 ATOM 2545 H2 TIP3 46 2.139 -55.545 -10.887 1.00 0.00 WAT1 ATOM 2546 OH2 TIP3 47 -2.996 -55.093 -0.632 1.00 0.00 WAT1 ATOM 2547 H1 TIP3 47 -2.077 -54.920 -0.929 1.00 0.00 WAT1 ATOM 2548 H2 TIP3 47 -3.394 -54.200 -0.565 1.00 0.00 WAT1 ATOM 2549 OH2 TIP3 48 -2.926 -62.160 9.029 1.00 0.00 WAT1 ATOM 2550 H1 TIP3 48 -2.448 -62.422 8.212 1.00 0.00 WAT1 ATOM 2551 H2 TIP3 48 -2.344 -62.434 9.741 1.00 0.00 WAT1 ATOM 2552 OH2 TIP3 49 -1.235 -58.991 -0.152 1.00 0.00 WAT1 ATOM 2553 H1 TIP3 49 -1.720 -59.470 -0.857 1.00 0.00 WAT1 ATOM 2554 H2 TIP3 49 -0.770 -58.274 -0.633 1.00 0.00 WAT1 ATOM 2555 OH2 TIP3 50 -2.269 -50.677 -8.693 1.00 0.00 WAT1 ATOM 2556 H1 TIP3 50 -2.733 -49.826 -8.907 1.00 0.00 WAT1 ATOM 2557 H2 TIP3 50 -2.394 -51.225 -9.495 1.00 0.00 WAT1 ATOM 2558 OH2 TIP3 51 -8.079 -51.438 -3.113 1.00 0.00 WAT1 ATOM 2559 H1 TIP3 51 -7.617 -51.359 -3.979 1.00 0.00 WAT1 ATOM 2560 H2 TIP3 51 -8.337 -52.385 -3.066 1.00 0.00 WAT1 ATOM 2561 OH2 TIP3 52 -9.857 -49.641 -2.156 1.00 0.00 WAT1 ATOM 2562 H1 TIP3 52 -10.631 -50.115 -2.479 1.00 0.00 WAT1 ATOM 2563 H2 TIP3 52 -9.096 -50.189 -2.465 1.00 0.00 WAT1 ATOM 2564 OH2 TIP3 53 -7.598 -50.824 -9.541 1.00 0.00 WAT1 ATOM 2565 H1 TIP3 53 -7.962 -51.465 -10.188 1.00 0.00 WAT1 ATOM 2566 H2 TIP3 53 -6.737 -50.545 -9.944 1.00 0.00 WAT1 ATOM 2567 OH2 TIP3 54 -5.323 -52.238 14.393 1.00 0.00 WAT1 ATOM 2568 H1 TIP3 54 -6.162 -52.284 13.892 1.00 0.00 WAT1 ATOM 2569 H2 TIP3 54 -4.729 -51.741 13.813 1.00 0.00 WAT1 ATOM 2570 OH2 TIP3 55 -7.463 -47.378 14.271 1.00 0.00 WAT1 ATOM 2571 H1 TIP3 55 -7.584 -46.616 14.875 1.00 0.00 WAT1 ATOM 2572 H2 TIP3 55 -6.700 -47.873 14.658 1.00 0.00 WAT1 ATOM 2573 OH2 TIP3 56 -5.899 -54.447 10.039 1.00 0.00 WAT1 ATOM 2574 H1 TIP3 56 -5.542 -53.776 9.419 1.00 0.00 WAT1 ATOM 2575 H2 TIP3 56 -5.174 -54.610 10.653 1.00 0.00 WAT1 ATOM 2576 OH2 TIP3 57 -3.192 -54.217 15.062 1.00 0.00 WAT1 ATOM 2577 H1 TIP3 57 -2.746 -53.404 14.728 1.00 0.00 WAT1 ATOM 2578 H2 TIP3 57 -4.125 -54.080 14.835 1.00 0.00 WAT1 ATOM 2579 OH2 TIP3 58 -3.251 -49.620 13.451 1.00 0.00 WAT1 ATOM 2580 H1 TIP3 58 -2.580 -49.189 12.917 1.00 0.00 WAT1 ATOM 2581 H2 TIP3 58 -2.837 -50.478 13.711 1.00 0.00 WAT1 ATOM 2582 OH2 TIP3 59 -3.111 -53.410 12.086 1.00 0.00 WAT1 ATOM 2583 H1 TIP3 59 -2.404 -53.981 11.710 1.00 0.00 WAT1 ATOM 2584 H2 TIP3 59 -2.649 -52.889 12.781 1.00 0.00 WAT1 ATOM 2585 OH2 TIP3 60 -1.915 -53.554 20.365 1.00 0.00 WAT1 ATOM 2586 H1 TIP3 60 -1.956 -52.704 20.862 1.00 0.00 WAT1 ATOM 2587 H2 TIP3 60 -2.411 -53.376 19.545 1.00 0.00 WAT1 ATOM 2588 OH2 TIP3 61 -7.077 -58.426 7.821 1.00 0.00 WAT1 ATOM 2589 H1 TIP3 61 -7.385 -57.535 8.100 1.00 0.00 WAT1 ATOM 2590 H2 TIP3 61 -7.685 -58.673 7.094 1.00 0.00 WAT1 ATOM 2591 OH2 TIP3 62 -8.039 -60.541 3.226 1.00 0.00 WAT1 ATOM 2592 H1 TIP3 62 -7.635 -61.204 2.638 1.00 0.00 WAT1 ATOM 2593 H2 TIP3 62 -7.319 -60.301 3.840 1.00 0.00 WAT1 ATOM 2594 OH2 TIP3 63 -0.187 -55.433 19.327 1.00 0.00 WAT1 ATOM 2595 H1 TIP3 63 -0.834 -54.797 19.699 1.00 0.00 WAT1 ATOM 2596 H2 TIP3 63 -0.537 -55.638 18.450 1.00 0.00 WAT1 ATOM 2597 OH2 TIP3 64 -4.571 -52.418 8.705 1.00 0.00 WAT1 ATOM 2598 H1 TIP3 64 -4.650 -51.934 9.552 1.00 0.00 WAT1 ATOM 2599 H2 TIP3 64 -4.104 -51.805 8.121 1.00 0.00 WAT1 ATOM 2600 OH2 TIP3 65 -4.969 -51.574 11.331 1.00 0.00 WAT1 ATOM 2601 H1 TIP3 65 -5.815 -51.967 11.634 1.00 0.00 WAT1 ATOM 2602 H2 TIP3 65 -4.289 -52.248 11.576 1.00 0.00 WAT1 ATOM 2603 OH2 TIP3 66 -2.669 -57.548 8.067 1.00 0.00 WAT1 ATOM 2604 H1 TIP3 66 -3.423 -57.985 7.609 1.00 0.00 WAT1 ATOM 2605 H2 TIP3 66 -2.990 -56.656 8.251 1.00 0.00 WAT1 ATOM 2606 OH2 TIP3 67 -6.018 -49.113 12.086 1.00 0.00 WAT1 ATOM 2607 H1 TIP3 67 -5.479 -49.925 11.976 1.00 0.00 WAT1 ATOM 2608 H2 TIP3 67 -6.840 -49.427 12.501 1.00 0.00 WAT1 ATOM 2609 OH2 TIP3 68 0.352 -51.592 23.739 1.00 0.00 WAT1 ATOM 2610 H1 TIP3 68 -0.186 -51.708 22.931 1.00 0.00 WAT1 ATOM 2611 H2 TIP3 68 0.165 -52.381 24.264 1.00 0.00 WAT1 ATOM 2612 OH2 TIP3 69 -3.305 -45.150 21.002 1.00 0.00 WAT1 ATOM 2613 H1 TIP3 69 -2.486 -44.647 20.814 1.00 0.00 WAT1 ATOM 2614 H2 TIP3 69 -3.356 -45.789 20.279 1.00 0.00 WAT1 ATOM 2615 OH2 TIP3 70 -4.697 -58.649 6.643 1.00 0.00 WAT1 ATOM 2616 H1 TIP3 70 -5.548 -58.394 7.076 1.00 0.00 WAT1 ATOM 2617 H2 TIP3 70 -4.641 -59.616 6.794 1.00 0.00 WAT1 ATOM 2618 OH2 TIP3 71 -2.020 -53.722 17.515 1.00 0.00 WAT1 ATOM 2619 H1 TIP3 71 -1.694 -52.954 16.992 1.00 0.00 WAT1 ATOM 2620 H2 TIP3 71 -2.543 -54.236 16.871 1.00 0.00 WAT1 ATOM 2621 OH2 TIP3 72 -4.997 -61.186 7.581 1.00 0.00 WAT1 ATOM 2622 H1 TIP3 72 -4.344 -61.498 8.254 1.00 0.00 WAT1 ATOM 2623 H2 TIP3 72 -5.808 -61.038 8.088 1.00 0.00 WAT1 ATOM 2624 OH2 TIP3 73 1.588 -57.957 9.862 1.00 0.00 WAT1 ATOM 2625 H1 TIP3 73 1.565 -58.362 10.767 1.00 0.00 WAT1 ATOM 2626 H2 TIP3 73 2.433 -58.277 9.479 1.00 0.00 WAT1 ATOM 2627 OH2 TIP3 74 -1.044 -55.475 22.158 1.00 0.00 WAT1 ATOM 2628 H1 TIP3 74 -0.448 -55.822 21.480 1.00 0.00 WAT1 ATOM 2629 H2 TIP3 74 -1.490 -54.724 21.720 1.00 0.00 WAT1 ATOM 2630 OH2 TIP3 75 -7.415 -52.110 12.535 1.00 0.00 WAT1 ATOM 2631 H1 TIP3 75 -8.054 -52.636 12.031 1.00 0.00 WAT1 ATOM 2632 H2 TIP3 75 -7.902 -51.287 12.751 1.00 0.00 WAT1 ATOM 2633 OH2 TIP3 76 -10.177 -51.415 11.507 1.00 0.00 WAT1 ATOM 2634 H1 TIP3 76 -10.301 -50.718 10.822 1.00 0.00 WAT1 ATOM 2635 H2 TIP3 76 -9.974 -50.916 12.314 1.00 0.00 WAT1 ATOM 2636 OH2 TIP3 77 -1.382 -49.346 23.794 1.00 0.00 WAT1 ATOM 2637 H1 TIP3 77 -0.885 -48.577 23.443 1.00 0.00 WAT1 ATOM 2638 H2 TIP3 77 -0.691 -49.994 24.018 1.00 0.00 WAT1 ATOM 2639 OH2 TIP3 78 -0.964 -54.948 11.220 1.00 0.00 WAT1 ATOM 2640 H1 TIP3 78 -0.015 -54.791 11.078 1.00 0.00 WAT1 ATOM 2641 H2 TIP3 78 -1.108 -55.853 10.886 1.00 0.00 WAT1 ATOM 2642 OH2 TIP3 79 -10.288 -53.466 5.899 1.00 0.00 WAT1 ATOM 2643 H1 TIP3 79 -9.543 -52.938 6.263 1.00 0.00 WAT1 ATOM 2644 H2 TIP3 79 -10.423 -53.095 5.010 1.00 0.00 WAT1 ATOM 2645 OH2 TIP3 80 -10.364 -55.095 8.166 1.00 0.00 WAT1 ATOM 2646 H1 TIP3 80 -10.550 -54.488 7.420 1.00 0.00 WAT1 ATOM 2647 H2 TIP3 80 -10.651 -54.588 8.965 1.00 0.00 WAT1 ATOM 2648 OH2 TIP3 81 -11.082 -53.719 10.364 1.00 0.00 WAT1 ATOM 2649 H1 TIP3 81 -11.654 -54.036 11.064 1.00 0.00 WAT1 ATOM 2650 H2 TIP3 81 -10.729 -52.868 10.708 1.00 0.00 WAT1 ATOM 2651 OH2 TIP3 82 -7.717 -55.836 8.394 1.00 0.00 WAT1 ATOM 2652 H1 TIP3 82 -8.631 -55.519 8.552 1.00 0.00 WAT1 ATOM 2653 H2 TIP3 82 -7.176 -55.352 9.057 1.00 0.00 WAT1 ATOM 2654 OH2 TIP3 83 0.235 -52.282 18.374 1.00 0.00 WAT1 ATOM 2655 H1 TIP3 83 -0.498 -52.903 18.538 1.00 0.00 WAT1 ATOM 2656 H2 TIP3 83 0.056 -51.939 17.467 1.00 0.00 WAT1 ATOM 2657 OH2 TIP3 84 -0.625 -55.516 14.666 1.00 0.00 WAT1 ATOM 2658 H1 TIP3 84 -1.503 -55.103 14.763 1.00 0.00 WAT1 ATOM 2659 H2 TIP3 84 -0.779 -56.259 14.046 1.00 0.00 WAT1 ATOM 2660 OH2 TIP3 85 -1.200 -57.755 13.059 1.00 0.00 WAT1 ATOM 2661 H1 TIP3 85 -1.986 -58.273 13.248 1.00 0.00 WAT1 ATOM 2662 H2 TIP3 85 -1.210 -57.652 12.079 1.00 0.00 WAT1 ATOM 2663 OH2 TIP3 86 -3.860 -50.932 16.417 1.00 0.00 WAT1 ATOM 2664 H1 TIP3 86 -4.483 -51.482 15.901 1.00 0.00 WAT1 ATOM 2665 H2 TIP3 86 -2.976 -51.253 16.141 1.00 0.00 WAT1 ATOM 2666 OH2 TIP3 87 0.784 -56.505 7.668 1.00 0.00 WAT1 ATOM 2667 H1 TIP3 87 1.025 -57.044 8.445 1.00 0.00 WAT1 ATOM 2668 H2 TIP3 87 1.509 -55.859 7.595 1.00 0.00 WAT1 ATOM 2669 OH2 TIP3 88 -1.130 -57.561 10.344 1.00 0.00 WAT1 ATOM 2670 H1 TIP3 88 -1.664 -57.679 9.528 1.00 0.00 WAT1 ATOM 2671 H2 TIP3 88 -0.217 -57.781 10.066 1.00 0.00 WAT1 ATOM 2672 OH2 TIP3 89 -3.845 -62.045 5.252 1.00 0.00 WAT1 ATOM 2673 H1 TIP3 89 -3.053 -62.465 5.640 1.00 0.00 WAT1 ATOM 2674 H2 TIP3 89 -4.407 -61.841 6.032 1.00 0.00 WAT1 ATOM 2675 OH2 TIP3 90 -7.338 -44.987 15.771 1.00 0.00 WAT1 ATOM 2676 H1 TIP3 90 -6.531 -44.758 15.275 1.00 0.00 WAT1 ATOM 2677 H2 TIP3 90 -7.173 -44.635 16.674 1.00 0.00 WAT1 ATOM 2678 OH2 TIP3 91 -1.819 -49.392 17.590 1.00 0.00 WAT1 ATOM 2679 H1 TIP3 91 -1.355 -50.048 17.025 1.00 0.00 WAT1 ATOM 2680 H2 TIP3 91 -2.764 -49.583 17.437 1.00 0.00 WAT1 ATOM 2681 OH2 TIP3 92 -5.289 -48.825 15.056 1.00 0.00 WAT1 ATOM 2682 H1 TIP3 92 -4.602 -49.001 14.375 1.00 0.00 WAT1 ATOM 2683 H2 TIP3 92 -5.045 -49.413 15.790 1.00 0.00 WAT1 ATOM 2684 OH2 TIP3 93 -1.592 -51.192 21.740 1.00 0.00 WAT1 ATOM 2685 H1 TIP3 93 -1.099 -50.655 21.079 1.00 0.00 WAT1 ATOM 2686 H2 TIP3 93 -1.858 -50.541 22.423 1.00 0.00 WAT1 ATOM 2687 OH2 TIP3 94 -2.894 -45.575 -19.755 1.00 0.00 WAT1 ATOM 2688 H1 TIP3 94 -3.571 -45.255 -19.120 1.00 0.00 WAT1 ATOM 2689 H2 TIP3 94 -2.618 -44.765 -20.236 1.00 0.00 WAT1 ATOM 2690 OH2 TIP3 95 -3.727 -46.114 -15.582 1.00 0.00 WAT1 ATOM 2691 H1 TIP3 95 -4.111 -45.501 -16.241 1.00 0.00 WAT1 ATOM 2692 H2 TIP3 95 -3.202 -46.743 -16.127 1.00 0.00 WAT1 ATOM 2693 OH2 TIP3 96 -0.445 -35.131 -18.568 1.00 0.00 WAT1 ATOM 2694 H1 TIP3 96 0.218 -35.829 -18.730 1.00 0.00 WAT1 ATOM 2695 H2 TIP3 96 -0.687 -34.821 -19.464 1.00 0.00 WAT1 ATOM 2696 OH2 TIP3 97 0.919 -41.118 -19.572 1.00 0.00 WAT1 ATOM 2697 H1 TIP3 97 1.480 -40.420 -19.956 1.00 0.00 WAT1 ATOM 2698 H2 TIP3 97 0.073 -41.038 -20.053 1.00 0.00 WAT1 ATOM 2699 OH2 TIP3 98 -6.216 -41.959 -14.960 1.00 0.00 WAT1 ATOM 2700 H1 TIP3 98 -5.718 -41.335 -15.515 1.00 0.00 WAT1 ATOM 2701 H2 TIP3 98 -5.531 -42.340 -14.363 1.00 0.00 WAT1 ATOM 2702 OH2 TIP3 99 -0.292 -42.052 -11.242 1.00 0.00 WAT1 ATOM 2703 H1 TIP3 99 -0.621 -41.699 -12.090 1.00 0.00 WAT1 ATOM 2704 H2 TIP3 99 0.513 -42.542 -11.485 1.00 0.00 WAT1 ATOM 2705 OH2 TIP3 100 -4.497 -44.551 -17.753 1.00 0.00 WAT1 ATOM 2706 H1 TIP3 100 -4.139 -43.631 -17.800 1.00 0.00 WAT1 ATOM 2707 H2 TIP3 100 -5.452 -44.429 -17.719 1.00 0.00 WAT1 ATOM 2708 OH2 TIP3 101 -9.746 -40.270 -14.681 1.00 0.00 WAT1 ATOM 2709 H1 TIP3 101 -9.760 -41.022 -15.306 1.00 0.00 WAT1 ATOM 2710 H2 TIP3 101 -9.156 -40.577 -13.962 1.00 0.00 WAT1 ATOM 2711 OH2 TIP3 102 -1.161 -28.686 -12.010 1.00 0.00 WAT1 ATOM 2712 H1 TIP3 102 -1.356 -28.254 -12.872 1.00 0.00 WAT1 ATOM 2713 H2 TIP3 102 -0.781 -27.980 -11.474 1.00 0.00 WAT1 ATOM 2714 OH2 TIP3 103 -1.498 -40.738 -20.848 1.00 0.00 WAT1 ATOM 2715 H1 TIP3 103 -1.637 -39.860 -20.435 1.00 0.00 WAT1 ATOM 2716 H2 TIP3 103 -1.210 -40.523 -21.772 1.00 0.00 WAT1 ATOM 2717 OH2 TIP3 104 -4.834 -38.405 -17.072 1.00 0.00 WAT1 ATOM 2718 H1 TIP3 104 -5.247 -38.939 -17.756 1.00 0.00 WAT1 ATOM 2719 H2 TIP3 104 -3.874 -38.606 -17.157 1.00 0.00 WAT1 ATOM 2720 OH2 TIP3 105 -3.970 -36.425 -15.421 1.00 0.00 WAT1 ATOM 2721 H1 TIP3 105 -4.369 -37.103 -16.017 1.00 0.00 WAT1 ATOM 2722 H2 TIP3 105 -4.652 -36.266 -14.757 1.00 0.00 WAT1 ATOM 2723 OH2 TIP3 106 -2.385 -44.531 -13.807 1.00 0.00 WAT1 ATOM 2724 H1 TIP3 106 -2.881 -45.118 -14.414 1.00 0.00 WAT1 ATOM 2725 H2 TIP3 106 -1.457 -44.743 -13.982 1.00 0.00 WAT1 ATOM 2726 OH2 TIP3 107 -3.581 -42.010 -18.005 1.00 0.00 WAT1 ATOM 2727 H1 TIP3 107 -3.015 -41.468 -18.566 1.00 0.00 WAT1 ATOM 2728 H2 TIP3 107 -3.527 -41.578 -17.120 1.00 0.00 WAT1 ATOM 2729 OH2 TIP3 108 0.316 -31.665 -20.588 1.00 0.00 WAT1 ATOM 2730 H1 TIP3 108 0.561 -30.741 -20.461 1.00 0.00 WAT1 ATOM 2731 H2 TIP3 108 -0.272 -31.863 -19.831 1.00 0.00 WAT1 ATOM 2732 OH2 TIP3 109 -3.794 -35.930 -11.190 1.00 0.00 WAT1 ATOM 2733 H1 TIP3 109 -2.874 -36.237 -11.338 1.00 0.00 WAT1 ATOM 2734 H2 TIP3 109 -3.726 -34.957 -11.204 1.00 0.00 WAT1 ATOM 2735 OH2 TIP3 110 -10.193 -37.804 -15.765 1.00 0.00 WAT1 ATOM 2736 H1 TIP3 110 -9.955 -38.687 -15.409 1.00 0.00 WAT1 ATOM 2737 H2 TIP3 110 -10.172 -37.921 -16.717 1.00 0.00 WAT1 ATOM 2738 OH2 TIP3 111 -2.132 -38.666 -17.420 1.00 0.00 WAT1 ATOM 2739 H1 TIP3 111 -1.991 -38.448 -18.366 1.00 0.00 WAT1 ATOM 2740 H2 TIP3 111 -1.262 -38.507 -17.010 1.00 0.00 WAT1 ATOM 2741 OH2 TIP3 112 -6.386 -39.804 -11.597 1.00 0.00 WAT1 ATOM 2742 H1 TIP3 112 -7.023 -40.182 -12.229 1.00 0.00 WAT1 ATOM 2743 H2 TIP3 112 -6.591 -40.262 -10.754 1.00 0.00 WAT1 ATOM 2744 OH2 TIP3 113 -8.818 -42.767 -15.597 1.00 0.00 WAT1 ATOM 2745 H1 TIP3 113 -8.961 -43.519 -15.008 1.00 0.00 WAT1 ATOM 2746 H2 TIP3 113 -7.860 -42.583 -15.523 1.00 0.00 WAT1 ATOM 2747 OH2 TIP3 114 -2.180 -38.059 -14.074 1.00 0.00 WAT1 ATOM 2748 H1 TIP3 114 -2.025 -37.550 -13.258 1.00 0.00 WAT1 ATOM 2749 H2 TIP3 114 -2.710 -37.457 -14.634 1.00 0.00 WAT1 ATOM 2750 OH2 TIP3 115 -8.770 -44.109 -12.445 1.00 0.00 WAT1 ATOM 2751 H1 TIP3 115 -8.127 -44.782 -12.150 1.00 0.00 WAT1 ATOM 2752 H2 TIP3 115 -9.495 -44.172 -11.796 1.00 0.00 WAT1 ATOM 2753 OH2 TIP3 116 2.829 -31.886 -21.969 1.00 0.00 WAT1 ATOM 2754 H1 TIP3 116 2.763 -32.456 -22.764 1.00 0.00 WAT1 ATOM 2755 H2 TIP3 116 1.931 -31.909 -21.584 1.00 0.00 WAT1 ATOM 2756 OH2 TIP3 117 -1.770 -32.292 -18.678 1.00 0.00 WAT1 ATOM 2757 H1 TIP3 117 -1.769 -33.067 -18.087 1.00 0.00 WAT1 ATOM 2758 H2 TIP3 117 -2.320 -31.635 -18.205 1.00 0.00 WAT1 ATOM 2759 OH2 TIP3 118 -1.574 -36.438 -22.168 1.00 0.00 WAT1 ATOM 2760 H1 TIP3 118 -1.789 -36.227 -23.080 1.00 0.00 WAT1 ATOM 2761 H2 TIP3 118 -1.430 -35.562 -21.746 1.00 0.00 WAT1 ATOM 2762 OH2 TIP3 119 -2.497 -34.547 -16.864 1.00 0.00 WAT1 ATOM 2763 H1 TIP3 119 -2.921 -35.338 -16.467 1.00 0.00 WAT1 ATOM 2764 H2 TIP3 119 -1.743 -34.911 -17.381 1.00 0.00 WAT1 ATOM 2765 OH2 TIP3 120 -1.479 -40.629 -13.348 1.00 0.00 WAT1 ATOM 2766 H1 TIP3 120 -1.551 -39.679 -13.591 1.00 0.00 WAT1 ATOM 2767 H2 TIP3 120 -0.860 -41.000 -14.015 1.00 0.00 WAT1 ATOM 2768 OH2 TIP3 121 -2.078 -43.388 -21.229 1.00 0.00 WAT1 ATOM 2769 H1 TIP3 121 -2.626 -43.206 -22.002 1.00 0.00 WAT1 ATOM 2770 H2 TIP3 121 -1.822 -42.496 -20.902 1.00 0.00 WAT1 ATOM 2771 OH2 TIP3 122 -3.569 -40.859 -15.560 1.00 0.00 WAT1 ATOM 2772 H1 TIP3 122 -3.488 -41.349 -14.716 1.00 0.00 WAT1 ATOM 2773 H2 TIP3 122 -3.088 -40.033 -15.402 1.00 0.00 WAT1 ATOM 2774 OH2 TIP3 123 -0.510 -48.168 -14.942 1.00 0.00 WAT1 ATOM 2775 H1 TIP3 123 -1.318 -48.395 -14.432 1.00 0.00 WAT1 ATOM 2776 H2 TIP3 123 -0.617 -47.222 -15.154 1.00 0.00 WAT1 ATOM 2777 OH2 TIP3 124 -6.569 -32.241 -15.302 1.00 0.00 WAT1 ATOM 2778 H1 TIP3 124 -5.614 -32.441 -15.394 1.00 0.00 WAT1 ATOM 2779 H2 TIP3 124 -6.942 -32.468 -16.158 1.00 0.00 WAT1 ATOM 2780 OH2 TIP3 125 -2.415 -47.338 -17.628 1.00 0.00 WAT1 ATOM 2781 H1 TIP3 125 -1.879 -48.012 -18.071 1.00 0.00 WAT1 ATOM 2782 H2 TIP3 125 -2.608 -46.688 -18.330 1.00 0.00 WAT1 ATOM 2783 OH2 TIP3 126 1.734 -51.878 -27.111 1.00 0.00 WAT1 ATOM 2784 H1 TIP3 126 1.467 -52.061 -26.176 1.00 0.00 WAT1 ATOM 2785 H2 TIP3 126 0.992 -52.190 -27.632 1.00 0.00 WAT1 ATOM 2786 OH2 TIP3 127 -6.886 -45.946 -11.221 1.00 0.00 WAT1 ATOM 2787 H1 TIP3 127 -6.509 -46.537 -10.533 1.00 0.00 WAT1 ATOM 2788 H2 TIP3 127 -6.412 -46.207 -12.046 1.00 0.00 WAT1 ATOM 2789 OH2 TIP3 128 -3.860 -32.782 -15.286 1.00 0.00 WAT1 ATOM 2790 H1 TIP3 128 -3.601 -33.016 -14.382 1.00 0.00 WAT1 ATOM 2791 H2 TIP3 128 -3.392 -33.446 -15.849 1.00 0.00 WAT1 ATOM 2792 OH2 TIP3 129 -8.217 -41.711 -1.165 1.00 0.00 WAT1 ATOM 2793 H1 TIP3 129 -8.605 -41.323 -1.974 1.00 0.00 WAT1 ATOM 2794 H2 TIP3 129 -7.701 -42.479 -1.491 1.00 0.00 WAT1 ATOM 2795 OH2 TIP3 130 -4.958 -32.253 -4.409 1.00 0.00 WAT1 ATOM 2796 H1 TIP3 130 -4.861 -32.160 -5.375 1.00 0.00 WAT1 ATOM 2797 H2 TIP3 130 -5.449 -33.096 -4.298 1.00 0.00 WAT1 ATOM 2798 OH2 TIP3 131 -9.803 -40.287 -2.992 1.00 0.00 WAT1 ATOM 2799 H1 TIP3 131 -10.653 -40.543 -3.364 1.00 0.00 WAT1 ATOM 2800 H2 TIP3 131 -9.236 -40.113 -3.782 1.00 0.00 WAT1 ATOM 2801 OH2 TIP3 132 -8.198 -40.185 -5.151 1.00 0.00 WAT1 ATOM 2802 H1 TIP3 132 -7.940 -41.125 -5.012 1.00 0.00 WAT1 ATOM 2803 H2 TIP3 132 -7.839 -39.967 -6.021 1.00 0.00 WAT1 ATOM 2804 OH2 TIP3 133 -9.610 -46.897 -2.356 1.00 0.00 WAT1 ATOM 2805 H1 TIP3 133 -9.706 -47.870 -2.379 1.00 0.00 WAT1 ATOM 2806 H2 TIP3 133 -10.013 -46.637 -1.507 1.00 0.00 WAT1 ATOM 2807 OH2 TIP3 134 -4.612 -31.767 -7.199 1.00 0.00 WAT1 ATOM 2808 H1 TIP3 134 -4.975 -32.422 -7.836 1.00 0.00 WAT1 ATOM 2809 H2 TIP3 134 -5.090 -30.940 -7.415 1.00 0.00 WAT1 ATOM 2810 OH2 TIP3 135 -4.595 -43.157 -8.652 1.00 0.00 WAT1 ATOM 2811 H1 TIP3 135 -3.632 -43.247 -8.854 1.00 0.00 WAT1 ATOM 2812 H2 TIP3 135 -4.614 -42.734 -7.767 1.00 0.00 WAT1 ATOM 2813 OH2 TIP3 136 -4.134 -42.548 -13.331 1.00 0.00 WAT1 ATOM 2814 H1 TIP3 136 -3.405 -43.204 -13.453 1.00 0.00 WAT1 ATOM 2815 H2 TIP3 136 -4.599 -42.860 -12.519 1.00 0.00 WAT1 ATOM 2816 OH2 TIP3 137 -6.476 -34.519 -4.106 1.00 0.00 WAT1 ATOM 2817 H1 TIP3 137 -6.912 -35.201 -4.624 1.00 0.00 WAT1 ATOM 2818 H2 TIP3 137 -6.943 -34.536 -3.244 1.00 0.00 WAT1 ATOM 2819 OH2 TIP3 138 -5.947 -33.217 -9.129 1.00 0.00 WAT1 ATOM 2820 H1 TIP3 138 -6.662 -32.921 -9.713 1.00 0.00 WAT1 ATOM 2821 H2 TIP3 138 -6.267 -34.084 -8.784 1.00 0.00 WAT1 ATOM 2822 OH2 TIP3 139 -6.014 -33.481 -0.335 1.00 0.00 WAT1 ATOM 2823 H1 TIP3 139 -6.691 -33.876 -0.925 1.00 0.00 WAT1 ATOM 2824 H2 TIP3 139 -6.132 -32.513 -0.448 1.00 0.00 WAT1 ATOM 2825 OH2 TIP3 140 -8.196 -33.603 -11.240 1.00 0.00 WAT1 ATOM 2826 H1 TIP3 140 -8.997 -33.256 -10.839 1.00 0.00 WAT1 ATOM 2827 H2 TIP3 140 -8.419 -34.543 -11.444 1.00 0.00 WAT1 ATOM 2828 OH2 TIP3 141 -3.982 -26.825 -12.061 1.00 0.00 WAT1 ATOM 2829 H1 TIP3 141 -3.733 -27.617 -12.561 1.00 0.00 WAT1 ATOM 2830 H2 TIP3 141 -4.253 -27.173 -11.184 1.00 0.00 WAT1 ATOM 2831 OH2 TIP3 142 -6.999 -30.462 -10.574 1.00 0.00 WAT1 ATOM 2832 H1 TIP3 142 -6.548 -31.024 -11.240 1.00 0.00 WAT1 ATOM 2833 H2 TIP3 142 -7.569 -29.891 -11.097 1.00 0.00 WAT1 ATOM 2834 OH2 TIP3 143 -10.654 -43.979 -10.338 1.00 0.00 WAT1 ATOM 2835 H1 TIP3 143 -11.596 -44.156 -10.242 1.00 0.00 WAT1 ATOM 2836 H2 TIP3 143 -10.219 -44.815 -10.038 1.00 0.00 WAT1 ATOM 2837 OH2 TIP3 144 -10.526 -41.741 0.304 1.00 0.00 WAT1 ATOM 2838 H1 TIP3 144 -10.077 -41.806 1.173 1.00 0.00 WAT1 ATOM 2839 H2 TIP3 144 -9.790 -41.753 -0.344 1.00 0.00 WAT1 ATOM 2840 OH2 TIP3 145 -6.694 -43.853 -2.066 1.00 0.00 WAT1 ATOM 2841 H1 TIP3 145 -5.998 -44.095 -1.421 1.00 0.00 WAT1 ATOM 2842 H2 TIP3 145 -6.873 -44.695 -2.553 1.00 0.00 WAT1 ATOM 2843 OH2 TIP3 146 -7.648 -42.821 -4.464 1.00 0.00 WAT1 ATOM 2844 H1 TIP3 146 -7.284 -43.100 -3.601 1.00 0.00 WAT1 ATOM 2845 H2 TIP3 146 -7.780 -43.649 -4.940 1.00 0.00 WAT1 ATOM 2846 OH2 TIP3 147 -12.439 -40.219 1.629 1.00 0.00 WAT1 ATOM 2847 H1 TIP3 147 -11.759 -40.511 0.989 1.00 0.00 WAT1 ATOM 2848 H2 TIP3 147 -13.006 -40.993 1.738 1.00 0.00 WAT1 ATOM 2849 OH2 TIP3 148 -6.555 -41.193 -9.309 1.00 0.00 WAT1 ATOM 2850 H1 TIP3 148 -7.471 -41.529 -9.387 1.00 0.00 WAT1 ATOM 2851 H2 TIP3 148 -6.046 -41.960 -8.976 1.00 0.00 WAT1 ATOM 2852 OH2 TIP3 149 -9.351 -46.293 -9.943 1.00 0.00 WAT1 ATOM 2853 H1 TIP3 149 -9.498 -47.255 -9.816 1.00 0.00 WAT1 ATOM 2854 H2 TIP3 149 -8.455 -46.238 -10.329 1.00 0.00 WAT1 ATOM 2855 OH2 TIP3 150 -8.726 -36.438 -0.028 1.00 0.00 WAT1 ATOM 2856 H1 TIP3 150 -8.979 -37.351 -0.314 1.00 0.00 WAT1 ATOM 2857 H2 TIP3 150 -9.016 -36.393 0.910 1.00 0.00 WAT1 ATOM 2858 OH2 TIP3 151 -9.553 -39.867 4.355 1.00 0.00 WAT1 ATOM 2859 H1 TIP3 151 -9.678 -39.914 5.312 1.00 0.00 WAT1 ATOM 2860 H2 TIP3 151 -10.289 -39.291 4.044 1.00 0.00 WAT1 ATOM 2861 OH2 TIP3 152 -5.277 -34.123 2.267 1.00 0.00 WAT1 ATOM 2862 H1 TIP3 152 -5.736 -33.863 1.440 1.00 0.00 WAT1 ATOM 2863 H2 TIP3 152 -5.917 -33.904 2.977 1.00 0.00 WAT1 ATOM 2864 OH2 TIP3 153 -6.975 -35.644 -8.424 1.00 0.00 WAT1 ATOM 2865 H1 TIP3 153 -7.206 -36.334 -7.787 1.00 0.00 WAT1 ATOM 2866 H2 TIP3 153 -6.622 -36.137 -9.190 1.00 0.00 WAT1 ATOM 2867 OH2 TIP3 154 -2.186 -39.927 -2.025 1.00 0.00 WAT1 ATOM 2868 H1 TIP3 154 -2.189 -39.423 -1.188 1.00 0.00 WAT1 ATOM 2869 H2 TIP3 154 -1.242 -39.944 -2.289 1.00 0.00 WAT1 ATOM 2870 OH2 TIP3 155 -8.059 -34.581 -1.854 1.00 0.00 WAT1 ATOM 2871 H1 TIP3 155 -8.232 -35.312 -1.210 1.00 0.00 WAT1 ATOM 2872 H2 TIP3 155 -8.935 -34.236 -2.056 1.00 0.00 WAT1 ATOM 2873 OH2 TIP3 156 -1.257 -35.591 0.024 1.00 0.00 WAT1 ATOM 2874 H1 TIP3 156 -0.676 -35.338 -0.736 1.00 0.00 WAT1 ATOM 2875 H2 TIP3 156 -1.920 -34.861 0.063 1.00 0.00 WAT1 ATOM 2876 OH2 TIP3 157 -9.297 -36.092 -11.620 1.00 0.00 WAT1 ATOM 2877 H1 TIP3 157 -9.602 -36.576 -10.836 1.00 0.00 WAT1 ATOM 2878 H2 TIP3 157 -9.649 -36.605 -12.365 1.00 0.00 WAT1 ATOM 2879 OH2 TIP3 158 -11.117 -37.965 -10.375 1.00 0.00 WAT1 ATOM 2880 H1 TIP3 158 -12.050 -37.824 -10.183 1.00 0.00 WAT1 ATOM 2881 H2 TIP3 158 -11.079 -38.020 -11.357 1.00 0.00 WAT1 ATOM 2882 OH2 TIP3 159 -2.222 -47.012 -5.550 1.00 0.00 WAT1 ATOM 2883 H1 TIP3 159 -2.005 -46.565 -6.376 1.00 0.00 WAT1 ATOM 2884 H2 TIP3 159 -2.250 -46.285 -4.886 1.00 0.00 WAT1 ATOM 2885 OH2 TIP3 160 -9.108 -39.218 -8.892 1.00 0.00 WAT1 ATOM 2886 H1 TIP3 160 -9.836 -38.718 -9.312 1.00 0.00 WAT1 ATOM 2887 H2 TIP3 160 -9.166 -40.106 -9.298 1.00 0.00 WAT1 ATOM 2888 OH2 TIP3 161 -9.143 -41.662 -10.229 1.00 0.00 WAT1 ATOM 2889 H1 TIP3 161 -9.746 -42.436 -10.193 1.00 0.00 WAT1 ATOM 2890 H2 TIP3 161 -8.940 -41.562 -11.176 1.00 0.00 WAT1 ATOM 2891 OH2 TIP3 162 -10.345 -44.549 2.294 1.00 0.00 WAT1 ATOM 2892 H1 TIP3 162 -9.906 -43.685 2.452 1.00 0.00 WAT1 ATOM 2893 H2 TIP3 162 -10.151 -45.065 3.104 1.00 0.00 WAT1 ATOM 2894 OH2 TIP3 163 -6.156 -48.251 -4.842 1.00 0.00 WAT1 ATOM 2895 H1 TIP3 163 -6.631 -48.634 -5.601 1.00 0.00 WAT1 ATOM 2896 H2 TIP3 163 -5.250 -48.600 -4.931 1.00 0.00 WAT1 ATOM 2897 OH2 TIP3 164 -0.373 -25.801 -2.966 1.00 0.00 WAT1 ATOM 2898 H1 TIP3 164 -0.171 -26.734 -3.096 1.00 0.00 WAT1 ATOM 2899 H2 TIP3 164 -1.196 -25.661 -3.475 1.00 0.00 WAT1 ATOM 2900 OH2 TIP3 165 -5.795 -37.474 -10.138 1.00 0.00 WAT1 ATOM 2901 H1 TIP3 165 -6.001 -38.122 -10.843 1.00 0.00 WAT1 ATOM 2902 H2 TIP3 165 -5.066 -36.927 -10.520 1.00 0.00 WAT1 ATOM 2903 OH2 TIP3 166 -7.092 -33.620 4.257 1.00 0.00 WAT1 ATOM 2904 H1 TIP3 166 -7.804 -34.275 4.252 1.00 0.00 WAT1 ATOM 2905 H2 TIP3 166 -6.928 -33.449 5.217 1.00 0.00 WAT1 ATOM 2906 OH2 TIP3 167 -1.227 -36.951 -11.587 1.00 0.00 WAT1 ATOM 2907 H1 TIP3 167 -0.759 -36.769 -10.736 1.00 0.00 WAT1 ATOM 2908 H2 TIP3 167 -0.638 -37.592 -12.039 1.00 0.00 WAT1 ATOM 2909 OH2 TIP3 168 -6.750 -38.450 -7.755 1.00 0.00 WAT1 ATOM 2910 H1 TIP3 168 -6.336 -38.119 -8.579 1.00 0.00 WAT1 ATOM 2911 H2 TIP3 168 -7.635 -38.774 -8.048 1.00 0.00 WAT1 ATOM 2912 OH2 TIP3 169 -6.243 -37.392 0.873 1.00 0.00 WAT1 ATOM 2913 H1 TIP3 169 -6.669 -38.049 1.463 1.00 0.00 WAT1 ATOM 2914 H2 TIP3 169 -6.996 -36.949 0.433 1.00 0.00 WAT1 ATOM 2915 OH2 TIP3 170 -10.860 -38.063 -13.098 1.00 0.00 WAT1 ATOM 2916 H1 TIP3 170 -10.931 -37.563 -13.936 1.00 0.00 WAT1 ATOM 2917 H2 TIP3 170 -10.589 -38.954 -13.383 1.00 0.00 WAT1 ATOM 2918 OH2 TIP3 171 -11.515 -38.284 3.269 1.00 0.00 WAT1 ATOM 2919 H1 TIP3 171 -11.832 -38.974 2.633 1.00 0.00 WAT1 ATOM 2920 H2 TIP3 171 -12.246 -37.659 3.318 1.00 0.00 WAT1 ATOM 2921 OH2 TIP3 172 -8.083 -41.543 -12.925 1.00 0.00 WAT1 ATOM 2922 H1 TIP3 172 -7.371 -41.605 -13.599 1.00 0.00 WAT1 ATOM 2923 H2 TIP3 172 -8.353 -42.482 -12.780 1.00 0.00 WAT1 ATOM 2924 OH2 TIP3 173 -7.476 -39.122 2.668 1.00 0.00 WAT1 ATOM 2925 H1 TIP3 173 -8.114 -39.393 3.361 1.00 0.00 WAT1 ATOM 2926 H2 TIP3 173 -7.067 -39.968 2.377 1.00 0.00 WAT1 ATOM 2927 OH2 TIP3 174 -13.654 -43.891 5.688 1.00 0.00 WAT1 ATOM 2928 H1 TIP3 174 -14.340 -43.520 5.127 1.00 0.00 WAT1 ATOM 2929 H2 TIP3 174 -13.660 -44.850 5.472 1.00 0.00 WAT1 ATOM 2930 OH2 TIP3 175 -12.533 -43.341 1.144 1.00 0.00 WAT1 ATOM 2931 H1 TIP3 175 -11.960 -42.763 0.597 1.00 0.00 WAT1 ATOM 2932 H2 TIP3 175 -11.899 -43.831 1.709 1.00 0.00 WAT1 ATOM 2933 OH2 TIP3 176 -9.159 -39.008 -0.667 1.00 0.00 WAT1 ATOM 2934 H1 TIP3 176 -8.657 -39.769 -0.343 1.00 0.00 WAT1 ATOM 2935 H2 TIP3 176 -9.543 -39.323 -1.512 1.00 0.00 WAT1 ATOM 2936 OH2 TIP3 177 -11.801 -43.091 7.476 1.00 0.00 WAT1 ATOM 2937 H1 TIP3 177 -12.113 -43.600 8.233 1.00 0.00 WAT1 ATOM 2938 H2 TIP3 177 -12.458 -43.293 6.764 1.00 0.00 WAT1 ATOM 2939 OH2 TIP3 178 -10.057 -49.145 0.560 1.00 0.00 WAT1 ATOM 2940 H1 TIP3 178 -9.921 -49.419 -0.368 1.00 0.00 WAT1 ATOM 2941 H2 TIP3 178 -10.278 -48.195 0.497 1.00 0.00 WAT1 ATOM 2942 OH2 TIP3 179 -10.681 -46.424 0.218 1.00 0.00 WAT1 ATOM 2943 H1 TIP3 179 -10.426 -45.769 0.903 1.00 0.00 WAT1 ATOM 2944 H2 TIP3 179 -11.657 -46.367 0.190 1.00 0.00 WAT1 ATOM 2945 OH2 TIP3 180 -0.120 -32.375 -3.830 1.00 0.00 WAT1 ATOM 2946 H1 TIP3 180 -1.002 -31.987 -3.771 1.00 0.00 WAT1 ATOM 2947 H2 TIP3 180 0.459 -31.621 -4.083 1.00 0.00 WAT1 ATOM 2948 OH2 TIP3 181 -1.895 -43.282 -9.303 1.00 0.00 WAT1 ATOM 2949 H1 TIP3 181 -1.203 -43.779 -8.846 1.00 0.00 WAT1 ATOM 2950 H2 TIP3 181 -1.416 -42.806 -10.013 1.00 0.00 WAT1 ATOM 2951 OH2 TIP3 182 -1.927 -31.315 -6.552 1.00 0.00 WAT1 ATOM 2952 H1 TIP3 182 -2.823 -31.667 -6.742 1.00 0.00 WAT1 ATOM 2953 H2 TIP3 182 -2.011 -30.369 -6.704 1.00 0.00 WAT1 ATOM 2954 OH2 TIP3 183 -5.242 -29.563 1.763 1.00 0.00 WAT1 ATOM 2955 H1 TIP3 183 -5.282 -28.644 2.097 1.00 0.00 WAT1 ATOM 2956 H2 TIP3 183 -5.739 -30.084 2.435 1.00 0.00 WAT1 ATOM 2957 OH2 TIP3 184 -6.294 -30.734 -0.458 1.00 0.00 WAT1 ATOM 2958 H1 TIP3 184 -7.191 -30.403 -0.342 1.00 0.00 WAT1 ATOM 2959 H2 TIP3 184 -5.792 -30.331 0.291 1.00 0.00 WAT1 ATOM 2960 OH2 TIP3 185 0.340 -34.360 -1.820 1.00 0.00 WAT1 ATOM 2961 H1 TIP3 185 1.048 -33.846 -1.375 1.00 0.00 WAT1 ATOM 2962 H2 TIP3 185 0.103 -33.812 -2.594 1.00 0.00 WAT1 ATOM 2963 OH2 TIP3 186 -7.234 -46.090 -3.510 1.00 0.00 WAT1 ATOM 2964 H1 TIP3 186 -8.113 -46.416 -3.207 1.00 0.00 WAT1 ATOM 2965 H2 TIP3 186 -6.840 -46.863 -3.978 1.00 0.00 WAT1 ATOM 2966 OH2 TIP3 187 -6.727 -51.417 -5.492 1.00 0.00 WAT1 ATOM 2967 H1 TIP3 187 -6.880 -50.657 -6.090 1.00 0.00 WAT1 ATOM 2968 H2 TIP3 187 -5.928 -51.828 -5.836 1.00 0.00 WAT1 ATOM 2969 OH2 TIP3 188 -5.531 -43.456 -11.194 1.00 0.00 WAT1 ATOM 2970 H1 TIP3 188 -6.052 -44.279 -11.192 1.00 0.00 WAT1 ATOM 2971 H2 TIP3 188 -5.134 -43.423 -10.295 1.00 0.00 WAT1 ATOM 2972 OH2 TIP3 189 -6.296 -32.234 -12.570 1.00 0.00 WAT1 ATOM 2973 H1 TIP3 189 -6.493 -32.211 -13.534 1.00 0.00 WAT1 ATOM 2974 H2 TIP3 189 -7.004 -32.812 -12.193 1.00 0.00 WAT1 ATOM 2975 OH2 TIP3 190 -13.385 -45.820 0.435 1.00 0.00 WAT1 ATOM 2976 H1 TIP3 190 -13.220 -44.869 0.639 1.00 0.00 WAT1 ATOM 2977 H2 TIP3 190 -14.133 -45.805 -0.173 1.00 0.00 WAT1 ATOM 2978 OH2 TIP3 191 -7.510 -38.151 16.121 1.00 0.00 WAT1 ATOM 2979 H1 TIP3 191 -8.171 -38.876 16.137 1.00 0.00 WAT1 ATOM 2980 H2 TIP3 191 -8.038 -37.346 16.290 1.00 0.00 WAT1 ATOM 2981 OH2 TIP3 192 -9.342 -40.270 16.229 1.00 0.00 WAT1 ATOM 2982 H1 TIP3 192 -9.191 -41.045 15.652 1.00 0.00 WAT1 ATOM 2983 H2 TIP3 192 -10.314 -40.285 16.400 1.00 0.00 WAT1 ATOM 2984 OH2 TIP3 193 -5.924 -35.462 16.534 1.00 0.00 WAT1 ATOM 2985 H1 TIP3 193 -5.539 -35.682 17.402 1.00 0.00 WAT1 ATOM 2986 H2 TIP3 193 -6.171 -36.324 16.160 1.00 0.00 WAT1 ATOM 2987 OH2 TIP3 194 -10.089 -37.272 18.595 1.00 0.00 WAT1 ATOM 2988 H1 TIP3 194 -9.495 -36.967 19.310 1.00 0.00 WAT1 ATOM 2989 H2 TIP3 194 -9.724 -36.849 17.791 1.00 0.00 WAT1 ATOM 2990 OH2 TIP3 195 -5.436 -41.914 12.603 1.00 0.00 WAT1 ATOM 2991 H1 TIP3 195 -5.111 -41.249 11.985 1.00 0.00 WAT1 ATOM 2992 H2 TIP3 195 -5.654 -41.400 13.419 1.00 0.00 WAT1 ATOM 2993 OH2 TIP3 196 -5.782 -33.100 14.825 1.00 0.00 WAT1 ATOM 2994 H1 TIP3 196 -5.768 -33.866 15.430 1.00 0.00 WAT1 ATOM 2995 H2 TIP3 196 -6.445 -32.498 15.217 1.00 0.00 WAT1 ATOM 2996 OH2 TIP3 197 -14.310 -34.669 19.249 1.00 0.00 WAT1 ATOM 2997 H1 TIP3 197 -14.021 -35.324 19.919 1.00 0.00 WAT1 ATOM 2998 H2 TIP3 197 -15.247 -34.491 19.478 1.00 0.00 WAT1 ATOM 2999 OH2 TIP3 198 -2.524 -43.787 17.768 1.00 0.00 WAT1 ATOM 3000 H1 TIP3 198 -1.724 -43.477 17.314 1.00 0.00 WAT1 ATOM 3001 H2 TIP3 198 -2.277 -44.670 18.117 1.00 0.00 WAT1 ATOM 3002 OH2 TIP3 199 -9.118 -47.382 11.667 1.00 0.00 WAT1 ATOM 3003 H1 TIP3 199 -8.827 -46.795 10.929 1.00 0.00 WAT1 ATOM 3004 H2 TIP3 199 -8.758 -46.958 12.463 1.00 0.00 WAT1 ATOM 3005 OH2 TIP3 200 -7.633 -38.447 9.078 1.00 0.00 WAT1 ATOM 3006 H1 TIP3 200 -8.540 -38.507 8.763 1.00 0.00 WAT1 ATOM 3007 H2 TIP3 200 -7.350 -39.375 9.160 1.00 0.00 WAT1 ATOM 3008 OH2 TIP3 201 -6.590 -41.609 1.964 1.00 0.00 WAT1 ATOM 3009 H1 TIP3 201 -6.417 -41.976 1.084 1.00 0.00 WAT1 ATOM 3010 H2 TIP3 201 -6.275 -42.310 2.586 1.00 0.00 WAT1 ATOM 3011 OH2 TIP3 202 -10.435 -33.681 17.288 1.00 0.00 WAT1 ATOM 3012 H1 TIP3 202 -10.110 -33.072 17.960 1.00 0.00 WAT1 ATOM 3013 H2 TIP3 202 -11.398 -33.511 17.258 1.00 0.00 WAT1 ATOM 3014 OH2 TIP3 203 -13.481 -36.716 21.022 1.00 0.00 WAT1 ATOM 3015 H1 TIP3 203 -13.313 -37.445 20.412 1.00 0.00 WAT1 ATOM 3016 H2 TIP3 203 -13.063 -37.001 21.853 1.00 0.00 WAT1 ATOM 3017 OH2 TIP3 204 -7.249 -43.696 8.165 1.00 0.00 WAT1 ATOM 3018 H1 TIP3 204 -8.024 -43.868 7.579 1.00 0.00 WAT1 ATOM 3019 H2 TIP3 204 -7.443 -42.820 8.567 1.00 0.00 WAT1 ATOM 3020 OH2 TIP3 205 -8.780 -35.745 16.687 1.00 0.00 WAT1 ATOM 3021 H1 TIP3 205 -9.462 -35.035 16.778 1.00 0.00 WAT1 ATOM 3022 H2 TIP3 205 -7.958 -35.261 16.506 1.00 0.00 WAT1 ATOM 3023 OH2 TIP3 206 -7.545 -33.038 22.070 1.00 0.00 WAT1 ATOM 3024 H1 TIP3 206 -8.104 -33.798 22.329 1.00 0.00 WAT1 ATOM 3025 H2 TIP3 206 -6.799 -33.069 22.703 1.00 0.00 WAT1 ATOM 3026 OH2 TIP3 207 -6.167 -27.662 13.842 1.00 0.00 WAT1 ATOM 3027 H1 TIP3 207 -6.957 -27.152 13.549 1.00 0.00 WAT1 ATOM 3028 H2 TIP3 207 -6.034 -28.316 13.144 1.00 0.00 WAT1 ATOM 3029 OH2 TIP3 208 -5.194 -31.338 8.804 1.00 0.00 WAT1 ATOM 3030 H1 TIP3 208 -4.539 -32.075 8.736 1.00 0.00 WAT1 ATOM 3031 H2 TIP3 208 -6.001 -31.776 9.153 1.00 0.00 WAT1 ATOM 3032 OH2 TIP3 209 -4.709 -30.038 11.199 1.00 0.00 WAT1 ATOM 3033 H1 TIP3 209 -5.012 -30.333 10.322 1.00 0.00 WAT1 ATOM 3034 H2 TIP3 209 -4.827 -30.833 11.769 1.00 0.00 WAT1 ATOM 3035 OH2 TIP3 210 -4.505 -43.772 8.179 1.00 0.00 WAT1 ATOM 3036 H1 TIP3 210 -4.103 -43.130 7.579 1.00 0.00 WAT1 ATOM 3037 H2 TIP3 210 -5.473 -43.673 8.028 1.00 0.00 WAT1 ATOM 3038 OH2 TIP3 211 -7.637 -42.708 23.833 1.00 0.00 WAT1 ATOM 3039 H1 TIP3 211 -6.995 -42.493 23.128 1.00 0.00 WAT1 ATOM 3040 H2 TIP3 211 -7.681 -41.891 24.370 1.00 0.00 WAT1 ATOM 3041 OH2 TIP3 212 -6.116 -40.825 15.044 1.00 0.00 WAT1 ATOM 3042 H1 TIP3 212 -6.407 -39.986 15.449 1.00 0.00 WAT1 ATOM 3043 H2 TIP3 212 -5.525 -41.226 15.716 1.00 0.00 WAT1 ATOM 3044 OH2 TIP3 213 -13.904 -46.571 5.040 1.00 0.00 WAT1 ATOM 3045 H1 TIP3 213 -13.337 -47.329 5.323 1.00 0.00 WAT1 ATOM 3046 H2 TIP3 213 -14.794 -46.939 5.025 1.00 0.00 WAT1 ATOM 3047 OH2 TIP3 214 -4.746 -42.852 16.497 1.00 0.00 WAT1 ATOM 3048 H1 TIP3 214 -3.906 -43.119 16.940 1.00 0.00 WAT1 ATOM 3049 H2 TIP3 214 -5.443 -43.085 17.149 1.00 0.00 WAT1 ATOM 3050 OH2 TIP3 215 -8.030 -41.333 9.380 1.00 0.00 WAT1 ATOM 3051 H1 TIP3 215 -8.157 -41.639 10.308 1.00 0.00 WAT1 ATOM 3052 H2 TIP3 215 -8.943 -41.162 9.058 1.00 0.00 WAT1 ATOM 3053 OH2 TIP3 216 -8.304 -46.075 9.438 1.00 0.00 WAT1 ATOM 3054 H1 TIP3 216 -8.645 -46.592 8.692 1.00 0.00 WAT1 ATOM 3055 H2 TIP3 216 -7.949 -45.265 9.026 1.00 0.00 WAT1 ATOM 3056 OH2 TIP3 217 -5.245 -44.124 14.131 1.00 0.00 WAT1 ATOM 3057 H1 TIP3 217 -5.324 -43.325 13.569 1.00 0.00 WAT1 ATOM 3058 H2 TIP3 217 -4.849 -43.786 14.967 1.00 0.00 WAT1 ATOM 3059 OH2 TIP3 218 -9.429 -44.348 6.734 1.00 0.00 WAT1 ATOM 3060 H1 TIP3 218 -10.271 -43.884 6.913 1.00 0.00 WAT1 ATOM 3061 H2 TIP3 218 -9.588 -44.815 5.893 1.00 0.00 WAT1 ATOM 3062 OH2 TIP3 219 -8.360 -42.476 14.771 1.00 0.00 WAT1 ATOM 3063 H1 TIP3 219 -7.532 -41.987 14.949 1.00 0.00 WAT1 ATOM 3064 H2 TIP3 219 -8.200 -43.365 15.144 1.00 0.00 WAT1 ATOM 3065 OH2 TIP3 220 -8.188 -42.138 12.004 1.00 0.00 WAT1 ATOM 3066 H1 TIP3 220 -8.594 -42.292 12.880 1.00 0.00 WAT1 ATOM 3067 H2 TIP3 220 -7.233 -42.146 12.183 1.00 0.00 WAT1 ATOM 3068 OH2 TIP3 221 -8.281 -36.370 20.500 1.00 0.00 WAT1 ATOM 3069 H1 TIP3 221 -8.637 -36.090 21.371 1.00 0.00 WAT1 ATOM 3070 H2 TIP3 221 -7.828 -35.585 20.167 1.00 0.00 WAT1 ATOM 3071 OH2 TIP3 222 -7.136 -33.178 9.630 1.00 0.00 WAT1 ATOM 3072 H1 TIP3 222 -6.973 -34.151 9.596 1.00 0.00 WAT1 ATOM 3073 H2 TIP3 222 -7.535 -33.037 10.498 1.00 0.00 WAT1 ATOM 3074 OH2 TIP3 223 -10.736 -38.668 21.019 1.00 0.00 WAT1 ATOM 3075 H1 TIP3 223 -10.809 -38.246 20.146 1.00 0.00 WAT1 ATOM 3076 H2 TIP3 223 -9.887 -39.146 20.980 1.00 0.00 WAT1 ATOM 3077 OH2 TIP3 224 -12.626 -38.009 17.859 1.00 0.00 WAT1 ATOM 3078 H1 TIP3 224 -13.058 -37.192 17.588 1.00 0.00 WAT1 ATOM 3079 H2 TIP3 224 -11.712 -37.732 18.093 1.00 0.00 WAT1 ATOM 3080 OH2 TIP3 225 -12.018 -40.449 16.772 1.00 0.00 WAT1 ATOM 3081 H1 TIP3 225 -12.283 -39.582 17.154 1.00 0.00 WAT1 ATOM 3082 H2 TIP3 225 -12.795 -41.001 16.883 1.00 0.00 WAT1 ATOM 3083 OH2 TIP3 226 -9.465 -31.413 20.907 1.00 0.00 WAT1 ATOM 3084 H1 TIP3 226 -9.077 -30.521 20.777 1.00 0.00 WAT1 ATOM 3085 H2 TIP3 226 -8.700 -31.976 21.148 1.00 0.00 WAT1 ATOM 3086 OH2 TIP3 227 -4.930 -32.548 12.246 1.00 0.00 WAT1 ATOM 3087 H1 TIP3 227 -5.242 -32.693 13.169 1.00 0.00 WAT1 ATOM 3088 H2 TIP3 227 -4.742 -33.436 11.918 1.00 0.00 WAT1 ATOM 3089 OH2 TIP3 228 -6.849 -43.520 18.059 1.00 0.00 WAT1 ATOM 3090 H1 TIP3 228 -6.841 -43.945 18.943 1.00 0.00 WAT1 ATOM 3091 H2 TIP3 228 -7.362 -42.686 18.203 1.00 0.00 WAT1 ATOM 3092 OH2 TIP3 229 -6.672 -35.891 9.813 1.00 0.00 WAT1 ATOM 3093 H1 TIP3 229 -7.017 -36.718 9.411 1.00 0.00 WAT1 ATOM 3094 H2 TIP3 229 -6.294 -36.179 10.650 1.00 0.00 WAT1 ATOM 3095 OH2 TIP3 230 -8.137 -41.206 18.645 1.00 0.00 WAT1 ATOM 3096 H1 TIP3 230 -8.644 -40.781 17.928 1.00 0.00 WAT1 ATOM 3097 H2 TIP3 230 -8.134 -40.542 19.363 1.00 0.00 WAT1 ATOM 3098 OH2 TIP3 231 -12.601 -47.276 2.667 1.00 0.00 WAT1 ATOM 3099 H1 TIP3 231 -13.046 -46.840 3.416 1.00 0.00 WAT1 ATOM 3100 H2 TIP3 231 -12.928 -46.796 1.881 1.00 0.00 WAT1 ATOM 3101 OH2 TIP3 232 -3.862 -33.696 8.677 1.00 0.00 WAT1 ATOM 3102 H1 TIP3 232 -4.399 -34.372 8.242 1.00 0.00 WAT1 ATOM 3103 H2 TIP3 232 -3.466 -34.159 9.437 1.00 0.00 WAT1 ATOM 3104 OH2 TIP3 233 -12.118 -38.035 23.298 1.00 0.00 WAT1 ATOM 3105 H1 TIP3 233 -11.590 -38.372 24.053 1.00 0.00 WAT1 ATOM 3106 H2 TIP3 233 -11.600 -38.308 22.505 1.00 0.00 WAT1 ATOM 3107 OH2 TIP3 234 -9.190 -36.901 2.615 1.00 0.00 WAT1 ATOM 3108 H1 TIP3 234 -10.033 -37.329 2.864 1.00 0.00 WAT1 ATOM 3109 H2 TIP3 234 -8.537 -37.625 2.645 1.00 0.00 WAT1 ATOM 3110 OH2 TIP3 235 -10.568 -40.863 8.502 1.00 0.00 WAT1 ATOM 3111 H1 TIP3 235 -11.321 -40.527 8.998 1.00 0.00 WAT1 ATOM 3112 H2 TIP3 235 -10.922 -41.652 8.033 1.00 0.00 WAT1 ATOM 3113 OH2 TIP3 236 -9.224 -42.051 2.687 1.00 0.00 WAT1 ATOM 3114 H1 TIP3 236 -9.409 -41.343 3.342 1.00 0.00 WAT1 ATOM 3115 H2 TIP3 236 -8.278 -41.930 2.466 1.00 0.00 WAT1 ATOM 3116 OH2 TIP3 237 -8.012 -39.190 20.661 1.00 0.00 WAT1 ATOM 3117 H1 TIP3 237 -7.620 -39.213 21.553 1.00 0.00 WAT1 ATOM 3118 H2 TIP3 237 -8.027 -38.239 20.433 1.00 0.00 WAT1 ATOM 3119 OH2 TIP3 238 -7.289 -44.243 20.674 1.00 0.00 WAT1 ATOM 3120 H1 TIP3 238 -7.565 -45.156 20.919 1.00 0.00 WAT1 ATOM 3121 H2 TIP3 238 -8.056 -43.700 20.899 1.00 0.00 WAT1 ATOM 3122 OH2 TIP3 239 -5.734 -42.252 21.906 1.00 0.00 WAT1 ATOM 3123 H1 TIP3 239 -4.796 -42.499 22.033 1.00 0.00 WAT1 ATOM 3124 H2 TIP3 239 -6.095 -42.968 21.344 1.00 0.00 WAT1 ATOM 3125 OH2 TIP3 240 -4.759 -44.875 23.368 1.00 0.00 WAT1 ATOM 3126 H1 TIP3 240 -5.607 -45.333 23.267 1.00 0.00 WAT1 ATOM 3127 H2 TIP3 240 -4.290 -45.045 22.519 1.00 0.00 WAT1 ATOM 3128 OH2 TIP3 241 -1.796 -46.395 18.675 1.00 0.00 WAT1 ATOM 3129 H1 TIP3 241 -1.048 -46.544 19.289 1.00 0.00 WAT1 ATOM 3130 H2 TIP3 241 -1.911 -47.251 18.232 1.00 0.00 WAT1 ATOM 3131 OH2 TIP3 242 3.555 -51.507 19.029 1.00 0.00 WAT1 ATOM 3132 H1 TIP3 242 3.167 -52.381 19.194 1.00 0.00 WAT1 ATOM 3133 H2 TIP3 242 3.012 -51.139 18.298 1.00 0.00 WAT1 ATOM 3134 OH2 TIP3 243 -16.939 -34.075 19.912 1.00 0.00 WAT1 ATOM 3135 H1 TIP3 243 -17.252 -33.482 20.600 1.00 0.00 WAT1 ATOM 3136 H2 TIP3 243 -17.743 -34.419 19.510 1.00 0.00 WAT1 ATOM 3137 OH2 TIP3 244 -9.104 -30.209 25.860 1.00 0.00 WAT1 ATOM 3138 H1 TIP3 244 -9.448 -30.425 24.970 1.00 0.00 WAT1 ATOM 3139 H2 TIP3 244 -9.285 -29.249 25.957 1.00 0.00 WAT1 ATOM 3140 OH2 TIP3 245 -0.237 -49.942 19.742 1.00 0.00 WAT1 ATOM 3141 H1 TIP3 245 -0.821 -49.656 19.005 1.00 0.00 WAT1 ATOM 3142 H2 TIP3 245 0.205 -50.745 19.393 1.00 0.00 WAT1 ATOM 3143 OH2 TIP3 246 -13.089 -32.836 17.626 1.00 0.00 WAT1 ATOM 3144 H1 TIP3 246 -13.142 -32.147 18.298 1.00 0.00 WAT1 ATOM 3145 H2 TIP3 246 -13.535 -33.611 18.045 1.00 0.00 WAT1 ATOM 3146 OH2 TIP3 247 -8.589 -49.654 13.077 1.00 0.00 WAT1 ATOM 3147 H1 TIP3 247 -8.909 -48.998 12.419 1.00 0.00 WAT1 ATOM 3148 H2 TIP3 247 -8.340 -49.107 13.848 1.00 0.00 WAT1 ATOM 3149 OH2 TIP3 248 -10.263 -49.189 9.954 1.00 0.00 WAT1 ATOM 3150 H1 TIP3 248 -10.002 -48.457 10.550 1.00 0.00 WAT1 ATOM 3151 H2 TIP3 248 -9.906 -48.925 9.085 1.00 0.00 WAT1 ATOM 3152 OH2 TIP3 249 -12.654 -48.947 5.481 1.00 0.00 WAT1 ATOM 3153 H1 TIP3 249 -12.422 -49.552 6.194 1.00 0.00 WAT1 ATOM 3154 H2 TIP3 249 -12.260 -49.351 4.686 1.00 0.00 WAT1 ATOM 3155 OH2 TIP3 250 -6.693 -32.961 6.862 1.00 0.00 WAT1 ATOM 3156 H1 TIP3 250 -6.012 -32.313 7.084 1.00 0.00 WAT1 ATOM 3157 H2 TIP3 250 -7.120 -33.158 7.718 1.00 0.00 WAT1 ATOM 3158 OH2 TIP3 251 -5.907 -39.381 27.235 1.00 0.00 WAT1 ATOM 3159 H1 TIP3 251 -5.600 -38.460 27.372 1.00 0.00 WAT1 ATOM 3160 H2 TIP3 251 -6.759 -39.419 27.727 1.00 0.00 WAT1 ATOM 3161 OH2 TIP3 252 -5.707 -34.539 29.405 1.00 0.00 WAT1 ATOM 3162 H1 TIP3 252 -6.213 -33.991 28.767 1.00 0.00 WAT1 ATOM 3163 H2 TIP3 252 -5.979 -34.214 30.265 1.00 0.00 WAT1 ATOM 3164 OH2 TIP3 253 -5.294 -36.721 27.783 1.00 0.00 WAT1 ATOM 3165 H1 TIP3 253 -5.371 -36.032 28.483 1.00 0.00 WAT1 ATOM 3166 H2 TIP3 253 -4.324 -36.859 27.687 1.00 0.00 WAT1 ATOM 3167 OH2 TIP3 254 -9.147 -43.710 27.433 1.00 0.00 WAT1 ATOM 3168 H1 TIP3 254 -9.540 -44.231 28.136 1.00 0.00 WAT1 ATOM 3169 H2 TIP3 254 -8.377 -44.242 27.141 1.00 0.00 WAT1 ATOM 3170 OH2 TIP3 255 -7.468 -40.276 25.120 1.00 0.00 WAT1 ATOM 3171 H1 TIP3 255 -7.528 -39.468 24.578 1.00 0.00 WAT1 ATOM 3172 H2 TIP3 255 -6.824 -40.043 25.823 1.00 0.00 WAT1 ATOM 3173 OH2 TIP3 256 -0.494 -38.358 28.158 1.00 0.00 WAT1 ATOM 3174 H1 TIP3 256 0.318 -38.126 27.673 1.00 0.00 WAT1 ATOM 3175 H2 TIP3 256 -0.613 -39.314 27.983 1.00 0.00 WAT1 ATOM 3176 OH2 TIP3 257 -8.455 -39.126 28.176 1.00 0.00 WAT1 ATOM 3177 H1 TIP3 257 -8.930 -39.910 27.831 1.00 0.00 WAT1 ATOM 3178 H2 TIP3 257 -9.158 -38.598 28.619 1.00 0.00 WAT1 ATOM 3179 OH2 TIP3 258 -5.802 -33.182 24.230 1.00 0.00 WAT1 ATOM 3180 H1 TIP3 258 -4.847 -33.325 24.240 1.00 0.00 WAT1 ATOM 3181 H2 TIP3 258 -6.157 -33.899 24.798 1.00 0.00 WAT1 ATOM 3182 OH2 TIP3 259 -8.445 -46.477 21.793 1.00 0.00 WAT1 ATOM 3183 H1 TIP3 259 -9.174 -47.076 21.966 1.00 0.00 WAT1 ATOM 3184 H2 TIP3 259 -8.185 -46.147 22.686 1.00 0.00 WAT1 ATOM 3185 OH2 TIP3 260 -7.029 -45.415 26.868 1.00 0.00 WAT1 ATOM 3186 H1 TIP3 260 -6.159 -44.976 27.042 1.00 0.00 WAT1 ATOM 3187 H2 TIP3 260 -6.909 -46.310 27.198 1.00 0.00 WAT1 ATOM 3188 OH2 TIP3 261 -10.655 -37.689 28.902 1.00 0.00 WAT1 ATOM 3189 H1 TIP3 261 -11.513 -37.965 28.515 1.00 0.00 WAT1 ATOM 3190 H2 TIP3 261 -10.806 -36.784 29.188 1.00 0.00 WAT1 ATOM 3191 OH2 TIP3 262 -7.726 -45.379 24.155 1.00 0.00 WAT1 ATOM 3192 H1 TIP3 262 -7.816 -44.406 24.014 1.00 0.00 WAT1 ATOM 3193 H2 TIP3 262 -7.508 -45.459 25.103 1.00 0.00 WAT1 ATOM 3194 OH2 TIP3 263 -4.627 -42.143 24.737 1.00 0.00 WAT1 ATOM 3195 H1 TIP3 263 -5.179 -42.942 24.677 1.00 0.00 WAT1 ATOM 3196 H2 TIP3 263 -4.000 -42.236 23.992 1.00 0.00 WAT1 ATOM 3197 OH2 TIP3 264 -7.150 -33.252 27.490 1.00 0.00 WAT1 ATOM 3198 H1 TIP3 264 -6.985 -33.978 26.851 1.00 0.00 WAT1 ATOM 3199 H2 TIP3 264 -8.118 -33.078 27.405 1.00 0.00 WAT1 ATOM 3200 OH2 TIP3 265 0.249 -45.001 24.275 1.00 0.00 WAT1 ATOM 3201 H1 TIP3 265 -0.671 -44.669 24.408 1.00 0.00 WAT1 ATOM 3202 H2 TIP3 265 0.621 -44.403 23.590 1.00 0.00 WAT1 ATOM 3203 OH2 TIP3 266 -6.709 -35.411 25.834 1.00 0.00 WAT1 ATOM 3204 H1 TIP3 266 -6.128 -35.858 26.491 1.00 0.00 WAT1 ATOM 3205 H2 TIP3 266 -7.454 -36.042 25.712 1.00 0.00 WAT1 ATOM 3206 OH2 TIP3 267 -3.257 -39.379 25.404 1.00 0.00 WAT1 ATOM 3207 H1 TIP3 267 -4.003 -39.994 25.487 1.00 0.00 WAT1 ATOM 3208 H2 TIP3 267 -3.285 -38.856 26.229 1.00 0.00 WAT1 ATOM 3209 OH2 TIP3 268 -8.568 -37.471 25.888 1.00 0.00 WAT1 ATOM 3210 H1 TIP3 268 -9.459 -37.820 25.679 1.00 0.00 WAT1 ATOM 3211 H2 TIP3 268 -8.335 -37.912 26.728 1.00 0.00 WAT1 ATOM 3212 OH2 TIP3 269 -10.930 -38.911 25.696 1.00 0.00 WAT1 ATOM 3213 H1 TIP3 269 -11.571 -38.725 26.409 1.00 0.00 WAT1 ATOM 3214 H2 TIP3 269 -10.542 -39.780 25.946 1.00 0.00 WAT1 ATOM 3215 OH2 TIP3 270 -10.639 -33.419 24.309 1.00 0.00 WAT1 ATOM 3216 H1 TIP3 270 -11.557 -33.636 24.111 1.00 0.00 WAT1 ATOM 3217 H2 TIP3 270 -10.542 -32.487 24.012 1.00 0.00 WAT1 ATOM 3218 OH2 TIP3 271 -8.937 -35.231 23.028 1.00 0.00 WAT1 ATOM 3219 H1 TIP3 271 -9.562 -34.647 23.516 1.00 0.00 WAT1 ATOM 3220 H2 TIP3 271 -8.785 -35.972 23.634 1.00 0.00 WAT1 ATOM 3221 OH2 TIP3 272 -14.035 -37.591 25.261 1.00 0.00 WAT1 ATOM 3222 H1 TIP3 272 -13.385 -37.757 24.542 1.00 0.00 WAT1 ATOM 3223 H2 TIP3 272 -14.817 -37.274 24.802 1.00 0.00 WAT1 ATOM 3224 OH2 TIP3 273 -12.960 -38.429 27.613 1.00 0.00 WAT1 ATOM 3225 H1 TIP3 273 -13.397 -38.032 26.822 1.00 0.00 WAT1 ATOM 3226 H2 TIP3 273 -13.599 -39.073 27.935 1.00 0.00 WAT1 ATOM 3227 OH2 TIP3 274 -9.589 -41.117 26.664 1.00 0.00 WAT1 ATOM 3228 H1 TIP3 274 -8.845 -40.988 26.038 1.00 0.00 WAT1 ATOM 3229 H2 TIP3 274 -9.525 -42.067 26.919 1.00 0.00 WAT1 ATOM 3230 OH2 TIP3 275 -2.727 -37.234 27.180 1.00 0.00 WAT1 ATOM 3231 H1 TIP3 275 -2.265 -36.471 26.769 1.00 0.00 WAT1 ATOM 3232 H2 TIP3 275 -2.030 -37.661 27.733 1.00 0.00 WAT1 ATOM 3233 OH2 TIP3 276 -1.135 -40.901 27.203 1.00 0.00 WAT1 ATOM 3234 H1 TIP3 276 -2.016 -41.262 27.434 1.00 0.00 WAT1 ATOM 3235 H2 TIP3 276 -1.152 -40.841 26.240 1.00 0.00 WAT1 ATOM 3236 OH2 TIP3 277 -3.902 -41.725 27.323 1.00 0.00 WAT1 ATOM 3237 H1 TIP3 277 -4.158 -41.898 26.389 1.00 0.00 WAT1 ATOM 3238 H2 TIP3 277 -4.559 -41.078 27.633 1.00 0.00 WAT1 ATOM 3239 OH2 TIP3 278 -3.010 -42.446 22.467 1.00 0.00 WAT1 ATOM 3240 H1 TIP3 278 -2.719 -43.049 21.759 1.00 0.00 WAT1 ATOM 3241 H2 TIP3 278 -2.215 -42.344 23.028 1.00 0.00 WAT1 ATOM 3242 OH2 TIP3 279 -2.364 -44.397 24.641 1.00 0.00 WAT1 ATOM 3243 H1 TIP3 279 -3.224 -44.535 24.188 1.00 0.00 WAT1 ATOM 3244 H2 TIP3 279 -2.450 -44.899 25.474 1.00 0.00 WAT1 ATOM 3245 OH2 TIP3 280 -1.101 -43.537 20.634 1.00 0.00 WAT1 ATOM 3246 H1 TIP3 280 -0.741 -43.093 19.851 1.00 0.00 WAT1 ATOM 3247 H2 TIP3 280 -0.325 -43.639 21.228 1.00 0.00 WAT1 ATOM 3248 OH2 TIP3 281 -9.694 -32.692 26.850 1.00 0.00 WAT1 ATOM 3249 H1 TIP3 281 -10.098 -33.107 26.065 1.00 0.00 WAT1 ATOM 3250 H2 TIP3 281 -9.594 -31.751 26.598 1.00 0.00 WAT1 ATOM 3251 OH2 TIP3 282 -6.688 -30.537 27.249 1.00 0.00 WAT1 ATOM 3252 H1 TIP3 282 -6.709 -31.507 27.409 1.00 0.00 WAT1 ATOM 3253 H2 TIP3 282 -7.439 -30.383 26.634 1.00 0.00 WAT1 ATOM 3254 OH2 TIP3 283 0.651 -24.342 -21.421 1.00 0.00 WAT1 ATOM 3255 H1 TIP3 283 0.700 -24.770 -22.280 1.00 0.00 WAT1 ATOM 3256 H2 TIP3 283 1.441 -24.671 -20.943 1.00 0.00 WAT1 ATOM 3257 OH2 TIP3 284 -1.014 -24.330 -17.489 1.00 0.00 WAT1 ATOM 3258 H1 TIP3 284 -0.289 -24.918 -17.787 1.00 0.00 WAT1 ATOM 3259 H2 TIP3 284 -0.600 -23.774 -16.812 1.00 0.00 WAT1 ATOM 3260 OH2 TIP3 285 4.578 -16.702 -17.903 1.00 0.00 WAT1 ATOM 3261 H1 TIP3 285 4.904 -15.960 -18.423 1.00 0.00 WAT1 ATOM 3262 H2 TIP3 285 5.189 -16.740 -17.127 1.00 0.00 WAT1 ATOM 3263 OH2 TIP3 286 -2.522 -22.902 -14.930 1.00 0.00 WAT1 ATOM 3264 H1 TIP3 286 -3.183 -23.565 -14.611 1.00 0.00 WAT1 ATOM 3265 H2 TIP3 286 -2.602 -22.937 -15.895 1.00 0.00 WAT1 ATOM 3266 OH2 TIP3 287 1.552 -18.418 -13.777 1.00 0.00 WAT1 ATOM 3267 H1 TIP3 287 1.934 -18.180 -14.649 1.00 0.00 WAT1 ATOM 3268 H2 TIP3 287 0.896 -19.103 -13.986 1.00 0.00 WAT1 ATOM 3269 OH2 TIP3 288 -0.420 -21.115 -14.199 1.00 0.00 WAT1 ATOM 3270 H1 TIP3 288 -1.172 -21.667 -14.478 1.00 0.00 WAT1 ATOM 3271 H2 TIP3 288 -0.129 -20.670 -15.031 1.00 0.00 WAT1 ATOM 3272 OH2 TIP3 289 -4.184 -24.662 -13.692 1.00 0.00 WAT1 ATOM 3273 H1 TIP3 289 -4.054 -25.396 -13.049 1.00 0.00 WAT1 ATOM 3274 H2 TIP3 289 -4.807 -25.023 -14.334 1.00 0.00 WAT1 ATOM 3275 OH2 TIP3 290 -0.802 -22.676 -19.855 1.00 0.00 WAT1 ATOM 3276 H1 TIP3 290 -0.365 -23.255 -20.523 1.00 0.00 WAT1 ATOM 3277 H2 TIP3 290 -1.169 -23.298 -19.207 1.00 0.00 WAT1 ATOM 3278 OH2 TIP3 291 1.123 -30.142 -9.690 1.00 0.00 WAT1 ATOM 3279 H1 TIP3 291 0.235 -29.809 -9.855 1.00 0.00 WAT1 ATOM 3280 H2 TIP3 291 1.475 -29.556 -8.974 1.00 0.00 WAT1 ATOM 3281 OH2 TIP3 292 1.228 -24.016 -15.468 1.00 0.00 WAT1 ATOM 3282 H1 TIP3 292 1.324 -24.586 -16.258 1.00 0.00 WAT1 ATOM 3283 H2 TIP3 292 2.104 -23.575 -15.386 1.00 0.00 WAT1 ATOM 3284 OH2 TIP3 293 -3.217 -30.666 -16.894 1.00 0.00 WAT1 ATOM 3285 H1 TIP3 293 -4.015 -30.126 -16.829 1.00 0.00 WAT1 ATOM 3286 H2 TIP3 293 -3.353 -31.376 -16.227 1.00 0.00 WAT1 ATOM 3287 OH2 TIP3 294 -6.118 -20.768 -3.837 1.00 0.00 WAT1 ATOM 3288 H1 TIP3 294 -5.620 -21.536 -3.502 1.00 0.00 WAT1 ATOM 3289 H2 TIP3 294 -5.828 -20.692 -4.769 1.00 0.00 WAT1 ATOM 3290 OH2 TIP3 295 -3.186 -28.059 -3.428 1.00 0.00 WAT1 ATOM 3291 H1 TIP3 295 -3.734 -28.866 -3.257 1.00 0.00 WAT1 ATOM 3292 H2 TIP3 295 -3.067 -28.052 -4.391 1.00 0.00 WAT1 ATOM 3293 OH2 TIP3 296 -2.097 -26.908 -6.364 1.00 0.00 WAT1 ATOM 3294 H1 TIP3 296 -2.631 -26.582 -7.119 1.00 0.00 WAT1 ATOM 3295 H2 TIP3 296 -1.194 -26.991 -6.735 1.00 0.00 WAT1 ATOM 3296 OH2 TIP3 297 -2.545 -24.934 -4.492 1.00 0.00 WAT1 ATOM 3297 H1 TIP3 297 -2.631 -25.708 -5.094 1.00 0.00 WAT1 ATOM 3298 H2 TIP3 297 -1.948 -24.322 -4.982 1.00 0.00 WAT1 ATOM 3299 OH2 TIP3 298 -3.748 -17.466 -5.835 1.00 0.00 WAT1 ATOM 3300 H1 TIP3 298 -4.523 -17.458 -5.225 1.00 0.00 WAT1 ATOM 3301 H2 TIP3 298 -3.018 -17.837 -5.292 1.00 0.00 WAT1 ATOM 3302 OH2 TIP3 299 -2.557 -28.816 -0.850 1.00 0.00 WAT1 ATOM 3303 H1 TIP3 299 -3.090 -29.621 -0.937 1.00 0.00 WAT1 ATOM 3304 H2 TIP3 299 -2.579 -28.423 -1.743 1.00 0.00 WAT1 ATOM 3305 OH2 TIP3 300 -4.257 -19.124 -7.940 1.00 0.00 WAT1 ATOM 3306 H1 TIP3 300 -4.859 -18.625 -8.500 1.00 0.00 WAT1 ATOM 3307 H2 TIP3 300 -4.052 -18.510 -7.199 1.00 0.00 WAT1 ATOM 3308 OH2 TIP3 301 -2.770 -19.577 3.519 1.00 0.00 WAT1 ATOM 3309 H1 TIP3 301 -3.523 -18.999 3.761 1.00 0.00 WAT1 ATOM 3310 H2 TIP3 301 -1.990 -19.124 3.897 1.00 0.00 WAT1 ATOM 3311 OH2 TIP3 302 -7.875 -18.928 -3.036 1.00 0.00 WAT1 ATOM 3312 H1 TIP3 302 -8.769 -19.240 -3.208 1.00 0.00 WAT1 ATOM 3313 H2 TIP3 302 -7.296 -19.677 -3.331 1.00 0.00 WAT1 ATOM 3314 OH2 TIP3 303 -5.154 -25.291 0.273 1.00 0.00 WAT1 ATOM 3315 H1 TIP3 303 -4.701 -25.481 -0.581 1.00 0.00 WAT1 ATOM 3316 H2 TIP3 303 -5.958 -24.833 0.016 1.00 0.00 WAT1 ATOM 3317 OH2 TIP3 304 -5.887 -24.663 -5.342 1.00 0.00 WAT1 ATOM 3318 H1 TIP3 304 -5.548 -23.977 -4.739 1.00 0.00 WAT1 ATOM 3319 H2 TIP3 304 -6.447 -25.210 -4.788 1.00 0.00 WAT1 ATOM 3320 OH2 TIP3 305 -4.064 -33.063 -11.198 1.00 0.00 WAT1 ATOM 3321 H1 TIP3 305 -4.505 -33.149 -10.330 1.00 0.00 WAT1 ATOM 3322 H2 TIP3 305 -4.780 -32.771 -11.798 1.00 0.00 WAT1 ATOM 3323 OH2 TIP3 306 2.790 -18.695 -11.235 1.00 0.00 WAT1 ATOM 3324 H1 TIP3 306 2.393 -18.632 -12.127 1.00 0.00 WAT1 ATOM 3325 H2 TIP3 306 3.657 -18.263 -11.331 1.00 0.00 WAT1 ATOM 3326 OH2 TIP3 307 -1.993 -22.092 4.334 1.00 0.00 WAT1 ATOM 3327 H1 TIP3 307 -2.528 -22.239 5.119 1.00 0.00 WAT1 ATOM 3328 H2 TIP3 307 -2.241 -21.194 4.040 1.00 0.00 WAT1 ATOM 3329 OH2 TIP3 308 -4.828 -26.893 2.472 1.00 0.00 WAT1 ATOM 3330 H1 TIP3 308 -5.073 -26.246 1.776 1.00 0.00 WAT1 ATOM 3331 H2 TIP3 308 -3.956 -27.225 2.192 1.00 0.00 WAT1 ATOM 3332 OH2 TIP3 309 -2.932 -22.332 -12.229 1.00 0.00 WAT1 ATOM 3333 H1 TIP3 309 -2.839 -22.294 -13.197 1.00 0.00 WAT1 ATOM 3334 H2 TIP3 309 -3.585 -23.032 -12.082 1.00 0.00 WAT1 ATOM 3335 OH2 TIP3 310 -4.541 -30.262 -2.625 1.00 0.00 WAT1 ATOM 3336 H1 TIP3 310 -5.192 -30.460 -1.923 1.00 0.00 WAT1 ATOM 3337 H2 TIP3 310 -4.665 -30.993 -3.279 1.00 0.00 WAT1 ATOM 3338 OH2 TIP3 311 -3.653 -13.723 5.092 1.00 0.00 WAT1 ATOM 3339 H1 TIP3 311 -3.403 -12.791 4.964 1.00 0.00 WAT1 ATOM 3340 H2 TIP3 311 -3.746 -13.812 6.061 1.00 0.00 WAT1 ATOM 3341 OH2 TIP3 312 -5.884 -18.846 -1.141 1.00 0.00 WAT1 ATOM 3342 H1 TIP3 312 -6.694 -18.659 -1.662 1.00 0.00 WAT1 ATOM 3343 H2 TIP3 312 -5.334 -19.369 -1.745 1.00 0.00 WAT1 ATOM 3344 OH2 TIP3 313 -4.219 -23.753 -7.295 1.00 0.00 WAT1 ATOM 3345 H1 TIP3 313 -3.862 -24.478 -7.848 1.00 0.00 WAT1 ATOM 3346 H2 TIP3 313 -4.898 -24.191 -6.736 1.00 0.00 WAT1 ATOM 3347 OH2 TIP3 314 -5.321 -18.422 3.665 1.00 0.00 WAT1 ATOM 3348 H1 TIP3 314 -5.664 -18.899 4.455 1.00 0.00 WAT1 ATOM 3349 H2 TIP3 314 -5.775 -18.853 2.910 1.00 0.00 WAT1 ATOM 3350 OH2 TIP3 315 -0.239 -16.861 -7.126 1.00 0.00 WAT1 ATOM 3351 H1 TIP3 315 0.367 -16.132 -7.392 1.00 0.00 WAT1 ATOM 3352 H2 TIP3 315 -1.138 -16.480 -7.264 1.00 0.00 WAT1 ATOM 3353 OH2 TIP3 316 -3.847 -25.723 -2.087 1.00 0.00 WAT1 ATOM 3354 H1 TIP3 316 -3.760 -26.655 -2.366 1.00 0.00 WAT1 ATOM 3355 H2 TIP3 316 -3.525 -25.219 -2.855 1.00 0.00 WAT1 ATOM 3356 OH2 TIP3 317 -2.631 -15.673 -7.482 1.00 0.00 WAT1 ATOM 3357 H1 TIP3 317 -3.125 -16.253 -6.858 1.00 0.00 WAT1 ATOM 3358 H2 TIP3 317 -3.195 -14.901 -7.585 1.00 0.00 WAT1 ATOM 3359 OH2 TIP3 318 -9.060 -19.587 1.914 1.00 0.00 WAT1 ATOM 3360 H1 TIP3 318 -9.787 -19.274 1.366 1.00 0.00 WAT1 ATOM 3361 H2 TIP3 318 -9.470 -19.783 2.765 1.00 0.00 WAT1 ATOM 3362 OH2 TIP3 319 1.356 -16.070 -12.383 1.00 0.00 WAT1 ATOM 3363 H1 TIP3 319 1.386 -15.406 -13.080 1.00 0.00 WAT1 ATOM 3364 H2 TIP3 319 1.399 -16.926 -12.864 1.00 0.00 WAT1 ATOM 3365 OH2 TIP3 320 -6.186 -17.339 -4.604 1.00 0.00 WAT1 ATOM 3366 H1 TIP3 320 -6.731 -17.851 -3.976 1.00 0.00 WAT1 ATOM 3367 H2 TIP3 320 -6.826 -16.850 -5.127 1.00 0.00 WAT1 ATOM 3368 OH2 TIP3 321 -2.419 -27.996 1.727 1.00 0.00 WAT1 ATOM 3369 H1 TIP3 321 -2.596 -28.821 2.200 1.00 0.00 WAT1 ATOM 3370 H2 TIP3 321 -2.426 -28.261 0.774 1.00 0.00 WAT1 ATOM 3371 OH2 TIP3 322 -4.268 -22.809 -4.018 1.00 0.00 WAT1 ATOM 3372 H1 TIP3 322 -3.621 -23.515 -4.209 1.00 0.00 WAT1 ATOM 3373 H2 TIP3 322 -4.257 -22.249 -4.826 1.00 0.00 WAT1 ATOM 3374 OH2 TIP3 323 -5.945 -19.673 6.046 1.00 0.00 WAT1 ATOM 3375 H1 TIP3 323 -5.707 -20.506 6.515 1.00 0.00 WAT1 ATOM 3376 H2 TIP3 323 -6.615 -19.271 6.612 1.00 0.00 WAT1 ATOM 3377 OH2 TIP3 324 -6.378 -19.659 1.457 1.00 0.00 WAT1 ATOM 3378 H1 TIP3 324 -7.351 -19.712 1.607 1.00 0.00 WAT1 ATOM 3379 H2 TIP3 324 -6.295 -19.392 0.517 1.00 0.00 WAT1 ATOM 3380 OH2 TIP3 325 -0.656 -24.481 -13.536 1.00 0.00 WAT1 ATOM 3381 H1 TIP3 325 0.119 -24.360 -14.130 1.00 0.00 WAT1 ATOM 3382 H2 TIP3 325 -1.314 -23.847 -13.878 1.00 0.00 WAT1 ATOM 3383 OH2 TIP3 326 -10.113 -24.197 12.541 1.00 0.00 WAT1 ATOM 3384 H1 TIP3 326 -10.648 -24.039 13.336 1.00 0.00 WAT1 ATOM 3385 H2 TIP3 326 -10.737 -24.623 11.913 1.00 0.00 WAT1 ATOM 3386 OH2 TIP3 327 -4.103 -21.147 1.737 1.00 0.00 WAT1 ATOM 3387 H1 TIP3 327 -3.687 -20.679 2.496 1.00 0.00 WAT1 ATOM 3388 H2 TIP3 327 -5.022 -20.802 1.718 1.00 0.00 WAT1 ATOM 3389 OH2 TIP3 328 -3.985 -28.845 8.300 1.00 0.00 WAT1 ATOM 3390 H1 TIP3 328 -4.468 -29.694 8.401 1.00 0.00 WAT1 ATOM 3391 H2 TIP3 328 -4.453 -28.390 7.590 1.00 0.00 WAT1 ATOM 3392 OH2 TIP3 329 2.200 -12.651 1.268 1.00 0.00 WAT1 ATOM 3393 H1 TIP3 329 2.085 -12.855 0.330 1.00 0.00 WAT1 ATOM 3394 H2 TIP3 329 2.821 -11.888 1.274 1.00 0.00 WAT1 ATOM 3395 OH2 TIP3 330 -2.017 -15.790 -0.523 1.00 0.00 WAT1 ATOM 3396 H1 TIP3 330 -2.687 -16.394 -0.135 1.00 0.00 WAT1 ATOM 3397 H2 TIP3 330 -2.524 -15.227 -1.116 1.00 0.00 WAT1 ATOM 3398 OH2 TIP3 331 -2.675 -19.797 -0.145 1.00 0.00 WAT1 ATOM 3399 H1 TIP3 331 -3.248 -20.212 0.529 1.00 0.00 WAT1 ATOM 3400 H2 TIP3 331 -2.965 -18.865 -0.159 1.00 0.00 WAT1 ATOM 3401 OH2 TIP3 332 -4.051 -17.437 0.356 1.00 0.00 WAT1 ATOM 3402 H1 TIP3 332 -4.468 -17.344 1.224 1.00 0.00 WAT1 ATOM 3403 H2 TIP3 332 -4.763 -17.803 -0.214 1.00 0.00 WAT1 ATOM 3404 OH2 TIP3 333 -1.772 -25.566 -11.111 1.00 0.00 WAT1 ATOM 3405 H1 TIP3 333 -1.240 -25.186 -11.834 1.00 0.00 WAT1 ATOM 3406 H2 TIP3 333 -2.609 -25.832 -11.546 1.00 0.00 WAT1 ATOM 3407 OH2 TIP3 334 -4.749 -21.276 -6.284 1.00 0.00 WAT1 ATOM 3408 H1 TIP3 334 -4.615 -22.104 -6.802 1.00 0.00 WAT1 ATOM 3409 H2 TIP3 334 -4.590 -20.560 -6.935 1.00 0.00 WAT1 ATOM 3410 OH2 TIP3 335 -1.670 -26.999 -14.140 1.00 0.00 WAT1 ATOM 3411 H1 TIP3 335 -1.292 -26.133 -13.897 1.00 0.00 WAT1 ATOM 3412 H2 TIP3 335 -2.119 -26.830 -14.997 1.00 0.00 WAT1 ATOM 3413 OH2 TIP3 336 -3.183 -25.930 -8.715 1.00 0.00 WAT1 ATOM 3414 H1 TIP3 336 -3.771 -26.662 -9.010 1.00 0.00 WAT1 ATOM 3415 H2 TIP3 336 -2.569 -25.798 -9.468 1.00 0.00 WAT1 ATOM 3416 OH2 TIP3 337 -4.591 -28.089 -9.642 1.00 0.00 WAT1 ATOM 3417 H1 TIP3 337 -4.195 -28.855 -10.124 1.00 0.00 WAT1 ATOM 3418 H2 TIP3 337 -5.162 -28.507 -8.966 1.00 0.00 WAT1 ATOM 3419 OH2 TIP3 338 -3.375 -30.051 -11.077 1.00 0.00 WAT1 ATOM 3420 H1 TIP3 338 -2.527 -29.729 -11.453 1.00 0.00 WAT1 ATOM 3421 H2 TIP3 338 -3.343 -31.013 -11.204 1.00 0.00 WAT1 ATOM 3422 OH2 TIP3 339 2.227 -32.784 -0.659 1.00 0.00 WAT1 ATOM 3423 H1 TIP3 339 2.742 -32.002 -0.888 1.00 0.00 WAT1 ATOM 3424 H2 TIP3 339 1.775 -32.543 0.172 1.00 0.00 WAT1 ATOM 3425 OH2 TIP3 340 1.233 -30.337 -5.109 1.00 0.00 WAT1 ATOM 3426 H1 TIP3 340 0.961 -29.421 -5.232 1.00 0.00 WAT1 ATOM 3427 H2 TIP3 340 2.086 -30.400 -5.613 1.00 0.00 WAT1 ATOM 3428 OH2 TIP3 341 0.345 -26.982 -7.791 1.00 0.00 WAT1 ATOM 3429 H1 TIP3 341 1.092 -27.549 -7.483 1.00 0.00 WAT1 ATOM 3430 H2 TIP3 341 0.344 -27.110 -8.753 1.00 0.00 WAT1 ATOM 3431 OH2 TIP3 342 -3.301 -33.882 0.315 1.00 0.00 WAT1 ATOM 3432 H1 TIP3 342 -3.504 -33.315 1.075 1.00 0.00 WAT1 ATOM 3433 H2 TIP3 342 -4.059 -33.746 -0.289 1.00 0.00 WAT1 ATOM 3434 OH2 TIP3 343 -6.234 -29.708 -8.086 1.00 0.00 WAT1 ATOM 3435 H1 TIP3 343 -7.072 -29.614 -7.623 1.00 0.00 WAT1 ATOM 3436 H2 TIP3 343 -6.488 -30.060 -8.975 1.00 0.00 WAT1 ATOM 3437 OH2 TIP3 344 -0.279 -16.292 -10.198 1.00 0.00 WAT1 ATOM 3438 H1 TIP3 344 0.071 -15.635 -9.569 1.00 0.00 WAT1 ATOM 3439 H2 TIP3 344 0.258 -16.160 -11.007 1.00 0.00 WAT1 ATOM 3440 OH2 TIP3 345 -6.792 -30.972 3.516 1.00 0.00 WAT1 ATOM 3441 H1 TIP3 345 -6.825 -31.933 3.697 1.00 0.00 WAT1 ATOM 3442 H2 TIP3 345 -7.482 -30.604 4.074 1.00 0.00 WAT1 ATOM 3443 OH2 TIP3 346 -4.901 -18.951 13.095 1.00 0.00 WAT1 ATOM 3444 H1 TIP3 346 -5.253 -19.183 13.978 1.00 0.00 WAT1 ATOM 3445 H2 TIP3 346 -5.180 -19.703 12.522 1.00 0.00 WAT1 ATOM 3446 OH2 TIP3 347 -9.936 -15.566 19.132 1.00 0.00 WAT1 ATOM 3447 H1 TIP3 347 -9.621 -15.744 20.045 1.00 0.00 WAT1 ATOM 3448 H2 TIP3 347 -10.881 -15.413 19.235 1.00 0.00 WAT1 ATOM 3449 OH2 TIP3 348 -2.289 -19.534 12.445 1.00 0.00 WAT1 ATOM 3450 H1 TIP3 348 -1.782 -19.009 13.088 1.00 0.00 WAT1 ATOM 3451 H2 TIP3 348 -3.215 -19.249 12.589 1.00 0.00 WAT1 ATOM 3452 OH2 TIP3 349 -12.069 -25.019 14.761 1.00 0.00 WAT1 ATOM 3453 H1 TIP3 349 -12.173 -25.941 15.025 1.00 0.00 WAT1 ATOM 3454 H2 TIP3 349 -12.809 -24.868 14.122 1.00 0.00 WAT1 ATOM 3455 OH2 TIP3 350 -10.578 -22.885 15.517 1.00 0.00 WAT1 ATOM 3456 H1 TIP3 350 -11.134 -23.671 15.307 1.00 0.00 WAT1 ATOM 3457 H2 TIP3 350 -11.053 -22.443 16.226 1.00 0.00 WAT1 ATOM 3458 OH2 TIP3 351 -9.292 -18.603 14.284 1.00 0.00 WAT1 ATOM 3459 H1 TIP3 351 -8.615 -18.027 14.702 1.00 0.00 WAT1 ATOM 3460 H2 TIP3 351 -9.545 -18.129 13.486 1.00 0.00 WAT1 ATOM 3461 OH2 TIP3 352 -7.232 -17.189 15.406 1.00 0.00 WAT1 ATOM 3462 H1 TIP3 352 -6.603 -16.589 14.962 1.00 0.00 WAT1 ATOM 3463 H2 TIP3 352 -7.371 -16.780 16.292 1.00 0.00 WAT1 ATOM 3464 OH2 TIP3 353 -13.204 -31.156 15.371 1.00 0.00 WAT1 ATOM 3465 H1 TIP3 353 -13.014 -31.771 16.108 1.00 0.00 WAT1 ATOM 3466 H2 TIP3 353 -14.095 -31.389 15.095 1.00 0.00 WAT1 ATOM 3467 OH2 TIP3 354 -6.103 -16.776 11.906 1.00 0.00 WAT1 ATOM 3468 H1 TIP3 354 -6.080 -16.139 12.636 1.00 0.00 WAT1 ATOM 3469 H2 TIP3 354 -5.575 -17.534 12.237 1.00 0.00 WAT1 ATOM 3470 OH2 TIP3 355 -1.807 -21.938 11.338 1.00 0.00 WAT1 ATOM 3471 H1 TIP3 355 -2.053 -21.006 11.565 1.00 0.00 WAT1 ATOM 3472 H2 TIP3 355 -1.416 -22.279 12.147 1.00 0.00 WAT1 ATOM 3473 OH2 TIP3 356 -5.710 -20.982 11.519 1.00 0.00 WAT1 ATOM 3474 H1 TIP3 356 -5.178 -21.568 10.939 1.00 0.00 WAT1 ATOM 3475 H2 TIP3 356 -6.527 -21.497 11.695 1.00 0.00 WAT1 ATOM 3476 OH2 TIP3 357 -8.095 -22.298 12.071 1.00 0.00 WAT1 ATOM 3477 H1 TIP3 357 -8.184 -21.861 12.947 1.00 0.00 WAT1 ATOM 3478 H2 TIP3 357 -8.806 -22.972 12.071 1.00 0.00 WAT1 ATOM 3479 OH2 TIP3 358 -6.354 -19.843 15.317 1.00 0.00 WAT1 ATOM 3480 H1 TIP3 358 -6.718 -18.939 15.421 1.00 0.00 WAT1 ATOM 3481 H2 TIP3 358 -7.124 -20.380 15.022 1.00 0.00 WAT1 ATOM 3482 OH2 TIP3 359 -7.595 -16.060 17.873 1.00 0.00 WAT1 ATOM 3483 H1 TIP3 359 -7.088 -15.288 18.169 1.00 0.00 WAT1 ATOM 3484 H2 TIP3 359 -8.508 -15.890 18.206 1.00 0.00 WAT1 ATOM 3485 OH2 TIP3 360 -8.478 -18.663 24.412 1.00 0.00 WAT1 ATOM 3486 H1 TIP3 360 -9.187 -19.298 24.674 1.00 0.00 WAT1 ATOM 3487 H2 TIP3 360 -8.681 -17.856 24.925 1.00 0.00 WAT1 ATOM 3488 OH2 TIP3 361 -4.124 -22.737 10.096 1.00 0.00 WAT1 ATOM 3489 H1 TIP3 361 -3.240 -22.515 10.467 1.00 0.00 WAT1 ATOM 3490 H2 TIP3 361 -4.262 -23.676 10.351 1.00 0.00 WAT1 ATOM 3491 OH2 TIP3 362 -9.139 -15.802 21.724 1.00 0.00 WAT1 ATOM 3492 H1 TIP3 362 -9.529 -14.898 21.795 1.00 0.00 WAT1 ATOM 3493 H2 TIP3 362 -8.587 -15.880 22.525 1.00 0.00 WAT1 ATOM 3494 OH2 TIP3 363 -7.047 -18.882 10.182 1.00 0.00 WAT1 ATOM 3495 H1 TIP3 363 -6.853 -18.034 10.621 1.00 0.00 WAT1 ATOM 3496 H2 TIP3 363 -6.453 -19.518 10.621 1.00 0.00 WAT1 ATOM 3497 OH2 TIP3 364 -4.512 -14.564 10.227 1.00 0.00 WAT1 ATOM 3498 H1 TIP3 364 -3.843 -14.871 10.886 1.00 0.00 WAT1 ATOM 3499 H2 TIP3 364 -5.259 -15.171 10.357 1.00 0.00 WAT1 ATOM 3500 OH2 TIP3 365 -8.604 -28.832 21.156 1.00 0.00 WAT1 ATOM 3501 H1 TIP3 365 -7.774 -28.376 21.407 1.00 0.00 WAT1 ATOM 3502 H2 TIP3 365 -9.255 -28.523 21.822 1.00 0.00 WAT1 ATOM 3503 OH2 TIP3 366 -5.435 -21.593 7.947 1.00 0.00 WAT1 ATOM 3504 H1 TIP3 366 -4.937 -22.135 8.589 1.00 0.00 WAT1 ATOM 3505 H2 TIP3 366 -6.352 -21.592 8.299 1.00 0.00 WAT1 ATOM 3506 OH2 TIP3 367 -11.920 -25.580 10.941 1.00 0.00 WAT1 ATOM 3507 H1 TIP3 367 -11.930 -26.535 11.208 1.00 0.00 WAT1 ATOM 3508 H2 TIP3 367 -11.852 -25.606 9.981 1.00 0.00 WAT1 ATOM 3509 OH2 TIP3 368 -13.839 -24.802 12.767 1.00 0.00 WAT1 ATOM 3510 H1 TIP3 368 -13.231 -25.030 12.032 1.00 0.00 WAT1 ATOM 3511 H2 TIP3 368 -14.677 -24.625 12.334 1.00 0.00 WAT1 ATOM 3512 OH2 TIP3 369 -6.395 -23.659 22.644 1.00 0.00 WAT1 ATOM 3513 H1 TIP3 369 -5.736 -24.163 22.137 1.00 0.00 WAT1 ATOM 3514 H2 TIP3 369 -6.965 -23.264 21.959 1.00 0.00 WAT1 ATOM 3515 OH2 TIP3 370 -4.505 -21.700 19.897 1.00 0.00 WAT1 ATOM 3516 H1 TIP3 370 -5.355 -21.479 20.297 1.00 0.00 WAT1 ATOM 3517 H2 TIP3 370 -4.451 -22.684 19.975 1.00 0.00 WAT1 ATOM 3518 OH2 TIP3 371 -8.115 -25.813 13.482 1.00 0.00 WAT1 ATOM 3519 H1 TIP3 371 -8.749 -25.269 12.966 1.00 0.00 WAT1 ATOM 3520 H2 TIP3 371 -8.378 -25.669 14.398 1.00 0.00 WAT1 ATOM 3521 OH2 TIP3 372 -7.815 -21.415 9.336 1.00 0.00 WAT1 ATOM 3522 H1 TIP3 372 -7.778 -20.451 9.506 1.00 0.00 WAT1 ATOM 3523 H2 TIP3 372 -8.103 -21.795 10.187 1.00 0.00 WAT1 ATOM 3524 OH2 TIP3 373 -4.533 -11.744 20.805 1.00 0.00 WAT1 ATOM 3525 H1 TIP3 373 -3.742 -11.907 21.358 1.00 0.00 WAT1 ATOM 3526 H2 TIP3 373 -4.303 -10.929 20.300 1.00 0.00 WAT1 ATOM 3527 OH2 TIP3 374 -9.984 -24.520 20.344 1.00 0.00 WAT1 ATOM 3528 H1 TIP3 374 -10.209 -24.871 21.232 1.00 0.00 WAT1 ATOM 3529 H2 TIP3 374 -10.834 -24.424 19.908 1.00 0.00 WAT1 ATOM 3530 OH2 TIP3 375 -13.680 -24.582 22.974 1.00 0.00 WAT1 ATOM 3531 H1 TIP3 375 -14.461 -25.116 23.153 1.00 0.00 WAT1 ATOM 3532 H2 TIP3 375 -13.982 -23.673 23.081 1.00 0.00 WAT1 ATOM 3533 OH2 TIP3 376 -8.076 -18.474 21.648 1.00 0.00 WAT1 ATOM 3534 H1 TIP3 376 -8.574 -17.644 21.520 1.00 0.00 WAT1 ATOM 3535 H2 TIP3 376 -8.080 -18.606 22.621 1.00 0.00 WAT1 ATOM 3536 OH2 TIP3 377 -7.651 -22.974 24.965 1.00 0.00 WAT1 ATOM 3537 H1 TIP3 377 -7.117 -23.159 24.159 1.00 0.00 WAT1 ATOM 3538 H2 TIP3 377 -7.706 -23.839 25.415 1.00 0.00 WAT1 ATOM 3539 OH2 TIP3 378 -5.742 -15.256 21.846 1.00 0.00 WAT1 ATOM 3540 H1 TIP3 378 -6.521 -15.447 22.399 1.00 0.00 WAT1 ATOM 3541 H2 TIP3 378 -5.052 -14.999 22.493 1.00 0.00 WAT1 ATOM 3542 OH2 TIP3 379 -5.739 -21.608 17.376 1.00 0.00 WAT1 ATOM 3543 H1 TIP3 379 -5.870 -20.808 16.824 1.00 0.00 WAT1 ATOM 3544 H2 TIP3 379 -5.178 -21.303 18.115 1.00 0.00 WAT1 ATOM 3545 OH2 TIP3 380 -6.303 -18.057 19.383 1.00 0.00 WAT1 ATOM 3546 H1 TIP3 380 -6.897 -17.584 18.772 1.00 0.00 WAT1 ATOM 3547 H2 TIP3 380 -6.884 -18.326 20.121 1.00 0.00 WAT1 ATOM 3548 OH2 TIP3 381 -3.336 -18.765 6.396 1.00 0.00 WAT1 ATOM 3549 H1 TIP3 381 -3.421 -17.848 6.063 1.00 0.00 WAT1 ATOM 3550 H2 TIP3 381 -4.242 -19.125 6.327 1.00 0.00 WAT1 ATOM 3551 OH2 TIP3 382 -4.305 -16.253 19.649 1.00 0.00 WAT1 ATOM 3552 H1 TIP3 382 -4.746 -15.837 20.416 1.00 0.00 WAT1 ATOM 3553 H2 TIP3 382 -4.884 -17.017 19.428 1.00 0.00 WAT1 ATOM 3554 OH2 TIP3 383 -2.438 -20.557 8.228 1.00 0.00 WAT1 ATOM 3555 H1 TIP3 383 -2.665 -19.890 7.542 1.00 0.00 WAT1 ATOM 3556 H2 TIP3 383 -3.297 -20.868 8.546 1.00 0.00 WAT1 ATOM 3557 OH2 TIP3 384 -8.592 -21.229 14.515 1.00 0.00 WAT1 ATOM 3558 H1 TIP3 384 -9.055 -20.361 14.462 1.00 0.00 WAT1 ATOM 3559 H2 TIP3 384 -9.270 -21.841 14.877 1.00 0.00 WAT1 ATOM 3560 OH2 TIP3 385 -7.631 -23.149 20.242 1.00 0.00 WAT1 ATOM 3561 H1 TIP3 385 -7.005 -23.903 20.125 1.00 0.00 WAT1 ATOM 3562 H2 TIP3 385 -8.520 -23.573 20.220 1.00 0.00 WAT1 ATOM 3563 OH2 TIP3 386 -8.752 -11.883 17.304 1.00 0.00 WAT1 ATOM 3564 H1 TIP3 386 -9.388 -12.580 17.121 1.00 0.00 WAT1 ATOM 3565 H2 TIP3 386 -8.699 -11.857 18.284 1.00 0.00 WAT1 ATOM 3566 OH2 TIP3 387 -3.865 -14.711 23.771 1.00 0.00 WAT1 ATOM 3567 H1 TIP3 387 -3.242 -14.373 23.087 1.00 0.00 WAT1 ATOM 3568 H2 TIP3 387 -3.492 -15.582 24.025 1.00 0.00 WAT1 ATOM 3569 OH2 TIP3 388 -3.949 -16.464 5.035 1.00 0.00 WAT1 ATOM 3570 H1 TIP3 388 -4.121 -15.516 4.858 1.00 0.00 WAT1 ATOM 3571 H2 TIP3 388 -4.601 -16.937 4.477 1.00 0.00 WAT1 ATOM 3572 OH2 TIP3 389 -10.079 -22.687 23.690 1.00 0.00 WAT1 ATOM 3573 H1 TIP3 389 -9.799 -22.132 22.923 1.00 0.00 WAT1 ATOM 3574 H2 TIP3 389 -9.250 -22.828 24.195 1.00 0.00 WAT1 ATOM 3575 OH2 TIP3 390 -11.008 -25.239 22.820 1.00 0.00 WAT1 ATOM 3576 H1 TIP3 390 -11.979 -25.085 22.850 1.00 0.00 WAT1 ATOM 3577 H2 TIP3 390 -10.628 -24.440 23.244 1.00 0.00 WAT1 ATOM 3578 OH2 TIP3 391 -8.975 -21.151 21.713 1.00 0.00 WAT1 ATOM 3579 H1 TIP3 391 -8.470 -21.679 21.067 1.00 0.00 WAT1 ATOM 3580 H2 TIP3 391 -8.684 -20.232 21.551 1.00 0.00 WAT1 ATOM 3581 OH2 TIP3 392 -3.279 -24.544 25.109 1.00 0.00 WAT1 ATOM 3582 H1 TIP3 392 -2.332 -24.633 25.303 1.00 0.00 WAT1 ATOM 3583 H2 TIP3 392 -3.655 -25.406 25.360 1.00 0.00 WAT1 ATOM 3584 OH2 TIP3 393 -7.528 -27.011 18.336 1.00 0.00 WAT1 ATOM 3585 H1 TIP3 393 -7.026 -26.526 19.034 1.00 0.00 WAT1 ATOM 3586 H2 TIP3 393 -8.156 -27.555 18.832 1.00 0.00 WAT1 ATOM 3587 OH2 TIP3 394 -10.264 -27.937 23.221 1.00 0.00 WAT1 ATOM 3588 H1 TIP3 394 -10.592 -27.044 22.978 1.00 0.00 WAT1 ATOM 3589 H2 TIP3 394 -10.017 -27.848 24.164 1.00 0.00 WAT1 ATOM 3590 OH2 TIP3 395 -6.390 -27.438 21.797 1.00 0.00 WAT1 ATOM 3591 H1 TIP3 395 -5.489 -27.742 21.633 1.00 0.00 WAT1 ATOM 3592 H2 TIP3 395 -6.456 -26.598 21.288 1.00 0.00 WAT1 ATOM 3593 OH2 TIP3 396 -6.386 -27.819 24.484 1.00 0.00 WAT1 ATOM 3594 H1 TIP3 396 -6.465 -28.804 24.494 1.00 0.00 WAT1 ATOM 3595 H2 TIP3 396 -6.495 -27.585 23.537 1.00 0.00 WAT1 ATOM 3596 OH2 TIP3 397 -10.384 -30.794 23.408 1.00 0.00 WAT1 ATOM 3597 H1 TIP3 397 -10.203 -31.088 22.485 1.00 0.00 WAT1 ATOM 3598 H2 TIP3 397 -10.587 -29.842 23.316 1.00 0.00 WAT1 ATOM 3599 OH2 TIP3 398 -2.333 -16.815 21.722 1.00 0.00 WAT1 ATOM 3600 H1 TIP3 398 -3.099 -17.081 21.191 1.00 0.00 WAT1 ATOM 3601 H2 TIP3 398 -2.540 -17.134 22.628 1.00 0.00 WAT1 ATOM 3602 OH2 TIP3 399 -4.690 -25.365 10.817 1.00 0.00 WAT1 ATOM 3603 H1 TIP3 399 -5.562 -25.568 11.178 1.00 0.00 WAT1 ATOM 3604 H2 TIP3 399 -4.509 -26.090 10.209 1.00 0.00 WAT1 ATOM 3605 OH2 TIP3 400 -5.131 -15.576 14.401 1.00 0.00 WAT1 ATOM 3606 H1 TIP3 400 -5.021 -14.597 14.362 1.00 0.00 WAT1 ATOM 3607 H2 TIP3 400 -4.786 -15.813 15.276 1.00 0.00 WAT1 ATOM 3608 OH2 TIP3 401 -9.724 -13.189 22.039 1.00 0.00 WAT1 ATOM 3609 H1 TIP3 401 -9.489 -12.674 21.242 1.00 0.00 WAT1 ATOM 3610 H2 TIP3 401 -9.160 -12.813 22.740 1.00 0.00 WAT1 ATOM 3611 OH2 TIP3 402 -6.117 -13.665 19.640 1.00 0.00 WAT1 ATOM 3612 H1 TIP3 402 -5.531 -12.944 19.968 1.00 0.00 WAT1 ATOM 3613 H2 TIP3 402 -6.123 -14.316 20.377 1.00 0.00 WAT1 ATOM 3614 OH2 TIP3 403 -8.305 -12.004 19.985 1.00 0.00 WAT1 ATOM 3615 H1 TIP3 403 -7.884 -11.363 20.593 1.00 0.00 WAT1 ATOM 3616 H2 TIP3 403 -7.599 -12.660 19.806 1.00 0.00 WAT1 ATOM 3617 OH2 TIP3 404 -4.842 -14.534 17.319 1.00 0.00 WAT1 ATOM 3618 H1 TIP3 404 -5.326 -13.972 17.952 1.00 0.00 WAT1 ATOM 3619 H2 TIP3 404 -4.444 -15.225 17.877 1.00 0.00 WAT1 ATOM 3620 OH2 TIP3 405 -11.550 -29.368 14.044 1.00 0.00 WAT1 ATOM 3621 H1 TIP3 405 -10.712 -29.716 14.363 1.00 0.00 WAT1 ATOM 3622 H2 TIP3 405 -12.226 -29.915 14.503 1.00 0.00 WAT1 ATOM 3623 OH2 TIP3 406 -11.999 -28.197 11.600 1.00 0.00 WAT1 ATOM 3624 H1 TIP3 406 -12.482 -28.942 11.232 1.00 0.00 WAT1 ATOM 3625 H2 TIP3 406 -11.760 -28.493 12.509 1.00 0.00 WAT1 ATOM 3626 OH2 TIP3 407 -3.204 -14.324 7.734 1.00 0.00 WAT1 ATOM 3627 H1 TIP3 407 -3.725 -14.603 8.516 1.00 0.00 WAT1 ATOM 3628 H2 TIP3 407 -2.794 -13.475 8.014 1.00 0.00 WAT1 ATOM 3629 OH2 TIP3 408 -6.586 -30.489 23.968 1.00 0.00 WAT1 ATOM 3630 H1 TIP3 408 -7.262 -30.726 23.322 1.00 0.00 WAT1 ATOM 3631 H2 TIP3 408 -6.208 -31.348 24.241 1.00 0.00 WAT1 ATOM 3632 OH2 TIP3 409 -2.492 -14.172 21.457 1.00 0.00 WAT1 ATOM 3633 H1 TIP3 409 -2.220 -15.119 21.495 1.00 0.00 WAT1 ATOM 3634 H2 TIP3 409 -2.590 -13.993 20.516 1.00 0.00 WAT1 ATOM 3635 OH2 TIP3 410 -2.811 -19.273 27.691 1.00 0.00 WAT1 ATOM 3636 H1 TIP3 410 -3.217 -20.144 27.549 1.00 0.00 WAT1 ATOM 3637 H2 TIP3 410 -3.441 -18.650 27.277 1.00 0.00 WAT1 ATOM 3638 OH2 TIP3 411 -7.653 -25.700 25.761 1.00 0.00 WAT1 ATOM 3639 H1 TIP3 411 -7.077 -25.647 26.553 1.00 0.00 WAT1 ATOM 3640 H2 TIP3 411 -7.209 -26.363 25.189 1.00 0.00 WAT1 ATOM 3641 OH2 TIP3 412 -0.343 -18.199 27.524 1.00 0.00 WAT1 ATOM 3642 H1 TIP3 412 0.046 -18.315 28.396 1.00 0.00 WAT1 ATOM 3643 H2 TIP3 412 -1.253 -18.580 27.614 1.00 0.00 WAT1 ATOM 3644 OH2 TIP3 413 -4.064 -21.492 26.495 1.00 0.00 WAT1 ATOM 3645 H1 TIP3 413 -4.515 -22.181 27.043 1.00 0.00 WAT1 ATOM 3646 H2 TIP3 413 -4.801 -21.037 26.038 1.00 0.00 WAT1 ATOM 3647 OH2 TIP3 414 -4.085 -29.557 27.210 1.00 0.00 WAT1 ATOM 3648 H1 TIP3 414 -4.953 -29.983 27.026 1.00 0.00 WAT1 ATOM 3649 H2 TIP3 414 -3.995 -29.614 28.170 1.00 0.00 WAT1 ATOM 3650 OH2 TIP3 415 0.231 -15.101 23.380 1.00 0.00 WAT1 ATOM 3651 H1 TIP3 415 0.998 -14.579 23.692 1.00 0.00 WAT1 ATOM 3652 H2 TIP3 415 -0.017 -15.651 24.155 1.00 0.00 WAT1 ATOM 3653 OH2 TIP3 416 -5.095 -13.328 27.502 1.00 0.00 WAT1 ATOM 3654 H1 TIP3 416 -5.716 -12.966 28.145 1.00 0.00 WAT1 ATOM 3655 H2 TIP3 416 -4.215 -13.023 27.824 1.00 0.00 WAT1 ATOM 3656 OH2 TIP3 417 -8.799 -17.824 33.903 1.00 0.00 WAT1 ATOM 3657 H1 TIP3 417 -9.502 -17.337 34.334 1.00 0.00 WAT1 ATOM 3658 H2 TIP3 417 -8.319 -18.236 34.622 1.00 0.00 WAT1 ATOM 3659 OH2 TIP3 418 -9.683 -27.528 25.888 1.00 0.00 WAT1 ATOM 3660 H1 TIP3 418 -8.986 -26.832 25.844 1.00 0.00 WAT1 ATOM 3661 H2 TIP3 418 -10.320 -27.183 26.523 1.00 0.00 WAT1 ATOM 3662 OH2 TIP3 419 -5.772 -25.887 27.748 1.00 0.00 WAT1 ATOM 3663 H1 TIP3 419 -6.076 -26.690 28.235 1.00 0.00 WAT1 ATOM 3664 H2 TIP3 419 -5.022 -26.207 27.209 1.00 0.00 WAT1 ATOM 3665 OH2 TIP3 420 -8.812 -16.499 26.135 1.00 0.00 WAT1 ATOM 3666 H1 TIP3 420 -9.357 -16.727 26.899 1.00 0.00 WAT1 ATOM 3667 H2 TIP3 420 -7.940 -16.267 26.522 1.00 0.00 WAT1 ATOM 3668 OH2 TIP3 421 1.097 -25.925 28.574 1.00 0.00 WAT1 ATOM 3669 H1 TIP3 421 1.648 -25.542 27.869 1.00 0.00 WAT1 ATOM 3670 H2 TIP3 421 0.310 -25.373 28.584 1.00 0.00 WAT1 ATOM 3671 OH2 TIP3 422 -6.221 -15.670 26.482 1.00 0.00 WAT1 ATOM 3672 H1 TIP3 422 -6.277 -15.410 25.545 1.00 0.00 WAT1 ATOM 3673 H2 TIP3 422 -5.735 -14.931 26.907 1.00 0.00 WAT1 ATOM 3674 OH2 TIP3 423 -1.128 -13.744 26.883 1.00 0.00 WAT1 ATOM 3675 H1 TIP3 423 -0.337 -13.245 27.191 1.00 0.00 WAT1 ATOM 3676 H2 TIP3 423 -1.858 -13.384 27.425 1.00 0.00 WAT1 ATOM 3677 OH2 TIP3 424 -0.371 -19.959 25.288 1.00 0.00 WAT1 ATOM 3678 H1 TIP3 424 -0.082 -19.234 25.874 1.00 0.00 WAT1 ATOM 3679 H2 TIP3 424 0.453 -20.251 24.839 1.00 0.00 WAT1 ATOM 3680 OH2 TIP3 425 -10.336 -20.446 25.310 1.00 0.00 WAT1 ATOM 3681 H1 TIP3 425 -10.940 -20.706 26.009 1.00 0.00 WAT1 ATOM 3682 H2 TIP3 425 -10.319 -21.220 24.709 1.00 0.00 WAT1 ATOM 3683 OH2 TIP3 426 -7.664 -15.242 23.952 1.00 0.00 WAT1 ATOM 3684 H1 TIP3 426 -7.799 -14.268 23.927 1.00 0.00 WAT1 ATOM 3685 H2 TIP3 426 -8.270 -15.552 24.658 1.00 0.00 WAT1 ATOM 3686 OH2 TIP3 427 -1.372 -13.017 24.220 1.00 0.00 WAT1 ATOM 3687 H1 TIP3 427 -1.316 -13.326 25.149 1.00 0.00 WAT1 ATOM 3688 H2 TIP3 427 -0.920 -13.722 23.710 1.00 0.00 WAT1 ATOM 3689 OH2 TIP3 428 -4.762 -18.038 26.176 1.00 0.00 WAT1 ATOM 3690 H1 TIP3 428 -5.367 -17.293 26.377 1.00 0.00 WAT1 ATOM 3691 H2 TIP3 428 -5.359 -18.769 25.911 1.00 0.00 WAT1 ATOM 3692 OH2 TIP3 429 -6.410 -20.252 25.407 1.00 0.00 WAT1 ATOM 3693 H1 TIP3 429 -7.069 -19.677 24.963 1.00 0.00 WAT1 ATOM 3694 H2 TIP3 429 -6.818 -21.142 25.383 1.00 0.00 WAT1 ATOM 3695 OH2 TIP3 430 -2.886 -17.227 24.347 1.00 0.00 WAT1 ATOM 3696 H1 TIP3 430 -3.487 -17.638 25.007 1.00 0.00 WAT1 ATOM 3697 H2 TIP3 430 -2.093 -16.973 24.870 1.00 0.00 WAT1 ATOM 3698 OH2 TIP3 431 -1.391 -22.105 26.744 1.00 0.00 WAT1 ATOM 3699 H1 TIP3 431 -2.326 -21.892 26.931 1.00 0.00 WAT1 ATOM 3700 H2 TIP3 431 -1.031 -21.281 26.355 1.00 0.00 WAT1 ATOM 3701 OH2 TIP3 432 -5.442 -23.188 28.105 1.00 0.00 WAT1 ATOM 3702 H1 TIP3 432 -5.536 -24.161 28.008 1.00 0.00 WAT1 ATOM 3703 H2 TIP3 432 -5.986 -22.972 28.868 1.00 0.00 WAT1 ATOM 3704 OH2 TIP3 433 -4.148 -27.156 25.852 1.00 0.00 WAT1 ATOM 3705 H1 TIP3 433 -3.991 -27.987 26.355 1.00 0.00 WAT1 ATOM 3706 H2 TIP3 433 -4.953 -27.351 25.316 1.00 0.00 WAT1 ATOM 3707 OH2 TIP3 434 -1.952 -27.672 24.247 1.00 0.00 WAT1 ATOM 3708 H1 TIP3 434 -1.795 -28.563 24.625 1.00 0.00 WAT1 ATOM 3709 H2 TIP3 434 -2.744 -27.353 24.714 1.00 0.00 WAT1 ATOM 3710 OH2 TIP3 435 -6.652 -28.253 28.761 1.00 0.00 WAT1 ATOM 3711 H1 TIP3 435 -7.225 -28.490 29.496 1.00 0.00 WAT1 ATOM 3712 H2 TIP3 435 -6.659 -29.049 28.186 1.00 0.00 WAT1 ATOM 3713 OH2 TIP3 436 -1.696 -4.756 5.239 1.00 0.00 WAT1 ATOM 3714 H1 TIP3 436 -1.845 -3.926 5.732 1.00 0.00 WAT1 ATOM 3715 H2 TIP3 436 -1.971 -5.460 5.868 1.00 0.00 WAT1 ATOM 3716 OH2 TIP3 437 0.801 -5.398 4.198 1.00 0.00 WAT1 ATOM 3717 H1 TIP3 437 -0.103 -5.049 4.372 1.00 0.00 WAT1 ATOM 3718 H2 TIP3 437 0.650 -6.163 3.604 1.00 0.00 WAT1 ATOM 3719 OH2 TIP3 438 -2.469 -11.113 5.525 1.00 0.00 WAT1 ATOM 3720 H1 TIP3 438 -3.005 -10.281 5.513 1.00 0.00 WAT1 ATOM 3721 H2 TIP3 438 -1.608 -10.841 5.186 1.00 0.00 WAT1 ATOM 3722 OH2 TIP3 439 -1.978 -7.136 3.690 1.00 0.00 WAT1 ATOM 3723 H1 TIP3 439 -2.640 -7.663 4.164 1.00 0.00 WAT1 ATOM 3724 H2 TIP3 439 -2.115 -6.230 4.019 1.00 0.00 WAT1 ATOM 3725 OH2 TIP3 440 0.452 -12.379 3.371 1.00 0.00 WAT1 ATOM 3726 H1 TIP3 440 -0.398 -12.611 2.979 1.00 0.00 WAT1 ATOM 3727 H2 TIP3 440 1.094 -12.489 2.635 1.00 0.00 WAT1 ATOM 3728 OH2 TIP3 441 -5.222 -9.691 7.957 1.00 0.00 WAT1 ATOM 3729 H1 TIP3 441 -5.041 -10.435 8.567 1.00 0.00 WAT1 ATOM 3730 H2 TIP3 441 -6.149 -9.485 8.106 1.00 0.00 WAT1 ATOM 3731 OH2 TIP3 442 -4.319 -7.117 15.029 1.00 0.00 WAT1 ATOM 3732 H1 TIP3 442 -3.629 -7.170 15.726 1.00 0.00 WAT1 ATOM 3733 H2 TIP3 442 -5.160 -7.081 15.532 1.00 0.00 WAT1 ATOM 3734 OH2 TIP3 443 -6.743 -7.310 16.526 1.00 0.00 WAT1 ATOM 3735 H1 TIP3 443 -7.630 -6.985 16.337 1.00 0.00 WAT1 ATOM 3736 H2 TIP3 443 -6.828 -8.293 16.457 1.00 0.00 WAT1 ATOM 3737 OH2 TIP3 444 -4.496 -10.667 17.179 1.00 0.00 WAT1 ATOM 3738 H1 TIP3 444 -4.392 -10.346 18.095 1.00 0.00 WAT1 ATOM 3739 H2 TIP3 444 -3.654 -10.411 16.743 1.00 0.00 WAT1 ATOM 3740 OH2 TIP3 445 -3.660 -3.872 20.279 1.00 0.00 WAT1 ATOM 3741 H1 TIP3 445 -3.535 -2.925 20.178 1.00 0.00 WAT1 ATOM 3742 H2 TIP3 445 -3.122 -4.266 19.551 1.00 0.00 WAT1 ATOM 3743 OH2 TIP3 446 -4.445 -3.619 10.076 1.00 0.00 WAT1 ATOM 3744 H1 TIP3 446 -4.020 -2.997 9.458 1.00 0.00 WAT1 ATOM 3745 H2 TIP3 446 -4.796 -3.040 10.786 1.00 0.00 WAT1 ATOM 3746 OH2 TIP3 447 -4.940 -6.142 21.085 1.00 0.00 WAT1 ATOM 3747 H1 TIP3 447 -4.541 -5.257 20.909 1.00 0.00 WAT1 ATOM 3748 H2 TIP3 447 -4.477 -6.455 21.895 1.00 0.00 WAT1 ATOM 3749 OH2 TIP3 448 -0.386 -4.588 8.333 1.00 0.00 WAT1 ATOM 3750 H1 TIP3 448 -0.860 -3.920 7.782 1.00 0.00 WAT1 ATOM 3751 H2 TIP3 448 0.185 -5.064 7.694 1.00 0.00 WAT1 ATOM 3752 OH2 TIP3 449 -2.335 -11.810 8.233 1.00 0.00 WAT1 ATOM 3753 H1 TIP3 449 -3.138 -11.504 8.691 1.00 0.00 WAT1 ATOM 3754 H2 TIP3 449 -2.418 -11.444 7.328 1.00 0.00 WAT1 ATOM 3755 OH2 TIP3 450 -3.755 -7.298 23.305 1.00 0.00 WAT1 ATOM 3756 H1 TIP3 450 -4.173 -8.144 23.554 1.00 0.00 WAT1 ATOM 3757 H2 TIP3 450 -2.796 -7.480 23.365 1.00 0.00 WAT1 ATOM 3758 OH2 TIP3 451 -7.001 -7.934 21.211 1.00 0.00 WAT1 ATOM 3759 H1 TIP3 451 -7.757 -7.340 21.226 1.00 0.00 WAT1 ATOM 3760 H2 TIP3 451 -6.224 -7.333 21.225 1.00 0.00 WAT1 ATOM 3761 OH2 TIP3 452 -1.719 -2.620 7.054 1.00 0.00 WAT1 ATOM 3762 H1 TIP3 452 -2.184 -2.217 7.822 1.00 0.00 WAT1 ATOM 3763 H2 TIP3 452 -1.720 -1.906 6.376 1.00 0.00 WAT1 ATOM 3764 OH2 TIP3 453 -7.049 -9.993 16.372 1.00 0.00 WAT1 ATOM 3765 H1 TIP3 453 -7.708 -10.664 16.671 1.00 0.00 WAT1 ATOM 3766 H2 TIP3 453 -6.188 -10.341 16.695 1.00 0.00 WAT1 ATOM 3767 OH2 TIP3 454 -4.923 -6.228 11.010 1.00 0.00 WAT1 ATOM 3768 H1 TIP3 454 -5.144 -5.310 10.754 1.00 0.00 WAT1 ATOM 3769 H2 TIP3 454 -4.343 -6.537 10.292 1.00 0.00 WAT1 ATOM 3770 OH2 TIP3 455 -2.686 -5.675 9.406 1.00 0.00 WAT1 ATOM 3771 H1 TIP3 455 -3.264 -4.921 9.650 1.00 0.00 WAT1 ATOM 3772 H2 TIP3 455 -1.836 -5.255 9.156 1.00 0.00 WAT1 ATOM 3773 OH2 TIP3 456 -2.984 -1.416 9.181 1.00 0.00 WAT1 ATOM 3774 H1 TIP3 456 -2.586 -1.318 10.073 1.00 0.00 WAT1 ATOM 3775 H2 TIP3 456 -3.677 -0.743 9.158 1.00 0.00 WAT1 ATOM 3776 OH2 TIP3 457 -6.852 -10.559 21.845 1.00 0.00 WAT1 ATOM 3777 H1 TIP3 457 -6.874 -9.608 21.572 1.00 0.00 WAT1 ATOM 3778 H2 TIP3 457 -5.951 -10.858 21.596 1.00 0.00 WAT1 ATOM 3779 OH2 TIP3 458 -5.495 -8.296 12.817 1.00 0.00 WAT1 ATOM 3780 H1 TIP3 458 -5.070 -7.898 13.604 1.00 0.00 WAT1 ATOM 3781 H2 TIP3 458 -5.506 -7.571 12.160 1.00 0.00 WAT1 ATOM 3782 OH2 TIP3 459 -4.872 -7.230 18.565 1.00 0.00 WAT1 ATOM 3783 H1 TIP3 459 -5.065 -6.690 19.362 1.00 0.00 WAT1 ATOM 3784 H2 TIP3 459 -5.643 -7.080 17.976 1.00 0.00 WAT1 ATOM 3785 OH2 TIP3 460 -1.953 -0.634 5.212 1.00 0.00 WAT1 ATOM 3786 H1 TIP3 460 -1.546 -0.560 4.342 1.00 0.00 WAT1 ATOM 3787 H2 TIP3 460 -2.647 0.034 5.208 1.00 0.00 WAT1 ATOM 3788 OH2 TIP3 461 -7.597 -12.465 23.684 1.00 0.00 WAT1 ATOM 3789 H1 TIP3 461 -7.473 -11.745 23.029 1.00 0.00 WAT1 ATOM 3790 H2 TIP3 461 -6.765 -12.454 24.204 1.00 0.00 WAT1 ATOM 3791 OH2 TIP3 462 -4.831 -1.470 11.744 1.00 0.00 WAT1 ATOM 3792 H1 TIP3 462 -3.863 -1.342 11.858 1.00 0.00 WAT1 ATOM 3793 H2 TIP3 462 -5.221 -0.986 12.474 1.00 0.00 WAT1 ATOM 3794 OH2 TIP3 463 -2.243 -6.806 6.947 1.00 0.00 WAT1 ATOM 3795 H1 TIP3 463 -1.445 -7.383 6.963 1.00 0.00 WAT1 ATOM 3796 H2 TIP3 463 -2.414 -6.601 7.892 1.00 0.00 WAT1 ATOM 3797 OH2 TIP3 464 -2.053 -4.935 18.388 1.00 0.00 WAT1 ATOM 3798 H1 TIP3 464 -1.124 -4.787 18.114 1.00 0.00 WAT1 ATOM 3799 H2 TIP3 464 -2.320 -5.737 17.892 1.00 0.00 WAT1 ATOM 3800 OH2 TIP3 465 -4.052 -6.319 25.985 1.00 0.00 WAT1 ATOM 3801 H1 TIP3 465 -3.987 -6.393 25.018 1.00 0.00 WAT1 ATOM 3802 H2 TIP3 465 -5.014 -6.407 26.169 1.00 0.00 WAT1 ATOM 3803 OH2 TIP3 466 -3.738 -8.754 5.822 1.00 0.00 WAT1 ATOM 3804 H1 TIP3 466 -3.308 -7.978 6.236 1.00 0.00 WAT1 ATOM 3805 H2 TIP3 466 -4.372 -9.068 6.504 1.00 0.00 WAT1 ATOM 3806 OH2 TIP3 467 -2.770 -6.309 12.788 1.00 0.00 WAT1 ATOM 3807 H1 TIP3 467 -3.144 -6.416 13.685 1.00 0.00 WAT1 ATOM 3808 H2 TIP3 467 -3.548 -6.116 12.228 1.00 0.00 WAT1 ATOM 3809 OH2 TIP3 468 -2.578 -7.341 17.152 1.00 0.00 WAT1 ATOM 3810 H1 TIP3 468 -2.236 -8.259 17.044 1.00 0.00 WAT1 ATOM 3811 H2 TIP3 468 -3.351 -7.441 17.751 1.00 0.00 WAT1 ATOM 3812 OH2 TIP3 469 -3.813 -9.476 19.580 1.00 0.00 WAT1 ATOM 3813 H1 TIP3 469 -4.305 -8.669 19.308 1.00 0.00 WAT1 ATOM 3814 H2 TIP3 469 -2.989 -9.125 19.990 1.00 0.00 WAT1 ATOM 3815 OH2 TIP3 470 -2.027 -11.338 22.044 1.00 0.00 WAT1 ATOM 3816 H1 TIP3 470 -1.922 -12.095 22.657 1.00 0.00 WAT1 ATOM 3817 H2 TIP3 470 -1.628 -10.595 22.518 1.00 0.00 WAT1 ATOM 3818 OH2 TIP3 471 -4.608 -12.939 14.817 1.00 0.00 WAT1 ATOM 3819 H1 TIP3 471 -4.828 -13.021 15.763 1.00 0.00 WAT1 ATOM 3820 H2 TIP3 471 -5.151 -12.176 14.507 1.00 0.00 WAT1 ATOM 3821 OH2 TIP3 472 -6.077 -10.762 13.927 1.00 0.00 WAT1 ATOM 3822 H1 TIP3 472 -6.598 -10.454 14.695 1.00 0.00 WAT1 ATOM 3823 H2 TIP3 472 -5.902 -9.944 13.416 1.00 0.00 WAT1 ATOM 3824 OH2 TIP3 473 -4.730 -11.765 9.772 1.00 0.00 WAT1 ATOM 3825 H1 TIP3 473 -5.160 -11.516 10.602 1.00 0.00 WAT1 ATOM 3826 H2 TIP3 473 -4.653 -12.744 9.829 1.00 0.00 WAT1 ATOM 3827 OH2 TIP3 474 -5.130 -12.546 24.844 1.00 0.00 WAT1 ATOM 3828 H1 TIP3 474 -4.625 -13.272 24.409 1.00 0.00 WAT1 ATOM 3829 H2 TIP3 474 -5.067 -12.753 25.800 1.00 0.00 WAT1 ATOM 3830 OH2 TIP3 475 -2.801 -12.214 28.479 1.00 0.00 WAT1 ATOM 3831 H1 TIP3 475 -2.504 -11.363 28.078 1.00 0.00 WAT1 ATOM 3832 H2 TIP3 475 -2.475 -12.171 29.385 1.00 0.00 WAT1 ATOM 3833 OH2 TIP3 476 -2.510 -7.375 27.938 1.00 0.00 WAT1 ATOM 3834 H1 TIP3 476 -2.586 -6.672 28.589 1.00 0.00 WAT1 ATOM 3835 H2 TIP3 476 -3.046 -7.051 27.174 1.00 0.00 WAT1 ATOM 3836 OH2 TIP3 477 -6.698 -6.893 26.343 1.00 0.00 WAT1 ATOM 3837 H1 TIP3 477 -6.827 -7.548 25.619 1.00 0.00 WAT1 ATOM 3838 H2 TIP3 477 -7.558 -6.830 26.760 1.00 0.00 WAT1 ATOM 3839 OH2 TIP3 478 -6.883 -8.794 24.436 1.00 0.00 WAT1 ATOM 3840 H1 TIP3 478 -5.969 -9.147 24.439 1.00 0.00 WAT1 ATOM 3841 H2 TIP3 478 -7.293 -9.209 23.669 1.00 0.00 WAT1 ATOM 3842 OH2 TIP3 479 6.107 -51.233 -21.977 1.00 0.00 WAT1 ATOM 3843 H1 TIP3 479 5.541 -51.421 -22.759 1.00 0.00 WAT1 ATOM 3844 H2 TIP3 479 6.604 -52.065 -21.837 1.00 0.00 WAT1 ATOM 3845 OH2 TIP3 480 5.962 -48.569 -22.451 1.00 0.00 WAT1 ATOM 3846 H1 TIP3 480 6.085 -49.461 -22.056 1.00 0.00 WAT1 ATOM 3847 H2 TIP3 480 5.951 -48.742 -23.423 1.00 0.00 WAT1 ATOM 3848 OH2 TIP3 481 7.076 -52.438 -18.825 1.00 0.00 WAT1 ATOM 3849 H1 TIP3 481 6.892 -52.783 -19.723 1.00 0.00 WAT1 ATOM 3850 H2 TIP3 481 6.814 -53.167 -18.231 1.00 0.00 WAT1 ATOM 3851 OH2 TIP3 482 6.866 -54.676 -17.092 1.00 0.00 WAT1 ATOM 3852 H1 TIP3 482 6.264 -54.363 -16.378 1.00 0.00 WAT1 ATOM 3853 H2 TIP3 482 7.708 -54.822 -16.640 1.00 0.00 WAT1 ATOM 3854 OH2 TIP3 483 5.488 -53.605 -14.983 1.00 0.00 WAT1 ATOM 3855 H1 TIP3 483 5.653 -52.702 -14.635 1.00 0.00 WAT1 ATOM 3856 H2 TIP3 483 4.512 -53.706 -14.925 1.00 0.00 WAT1 ATOM 3857 OH2 TIP3 484 13.910 -52.765 -16.025 1.00 0.00 WAT1 ATOM 3858 H1 TIP3 484 14.018 -53.742 -15.959 1.00 0.00 WAT1 ATOM 3859 H2 TIP3 484 13.199 -52.651 -16.701 1.00 0.00 WAT1 ATOM 3860 OH2 TIP3 485 7.739 -55.667 -19.502 1.00 0.00 WAT1 ATOM 3861 H1 TIP3 485 7.300 -55.450 -18.654 1.00 0.00 WAT1 ATOM 3862 H2 TIP3 485 7.620 -56.639 -19.593 1.00 0.00 WAT1 ATOM 3863 OH2 TIP3 486 8.362 -49.710 -26.153 1.00 0.00 WAT1 ATOM 3864 H1 TIP3 486 9.073 -50.348 -26.255 1.00 0.00 WAT1 ATOM 3865 H2 TIP3 486 8.812 -48.867 -26.030 1.00 0.00 WAT1 ATOM 3866 OH2 TIP3 487 1.384 -54.466 -22.862 1.00 0.00 WAT1 ATOM 3867 H1 TIP3 487 0.867 -54.412 -22.031 1.00 0.00 WAT1 ATOM 3868 H2 TIP3 487 2.305 -54.549 -22.563 1.00 0.00 WAT1 ATOM 3869 OH2 TIP3 488 17.587 -52.130 -9.176 1.00 0.00 WAT1 ATOM 3870 H1 TIP3 488 17.900 -51.540 -9.905 1.00 0.00 WAT1 ATOM 3871 H2 TIP3 488 18.300 -52.085 -8.513 1.00 0.00 WAT1 ATOM 3872 OH2 TIP3 489 7.299 -58.385 -19.657 1.00 0.00 WAT1 ATOM 3873 H1 TIP3 489 6.465 -58.859 -19.744 1.00 0.00 WAT1 ATOM 3874 H2 TIP3 489 7.972 -59.070 -19.734 1.00 0.00 WAT1 ATOM 3875 OH2 TIP3 490 9.622 -53.706 -18.515 1.00 0.00 WAT1 ATOM 3876 H1 TIP3 490 8.919 -53.036 -18.583 1.00 0.00 WAT1 ATOM 3877 H2 TIP3 490 9.255 -54.482 -18.974 1.00 0.00 WAT1 ATOM 3878 OH2 TIP3 491 6.733 -53.802 -21.257 1.00 0.00 WAT1 ATOM 3879 H1 TIP3 491 5.850 -54.099 -21.561 1.00 0.00 WAT1 ATOM 3880 H2 TIP3 491 7.123 -54.597 -20.835 1.00 0.00 WAT1 ATOM 3881 OH2 TIP3 492 5.272 -50.012 -18.212 1.00 0.00 WAT1 ATOM 3882 H1 TIP3 492 6.018 -50.619 -18.374 1.00 0.00 WAT1 ATOM 3883 H2 TIP3 492 5.696 -49.208 -17.838 1.00 0.00 WAT1 ATOM 3884 OH2 TIP3 493 4.026 -53.928 -21.947 1.00 0.00 WAT1 ATOM 3885 H1 TIP3 493 3.866 -53.317 -21.198 1.00 0.00 WAT1 ATOM 3886 H2 TIP3 493 4.079 -53.337 -22.730 1.00 0.00 WAT1 ATOM 3887 OH2 TIP3 494 14.712 -50.232 -16.325 1.00 0.00 WAT1 ATOM 3888 H1 TIP3 494 14.514 -51.166 -16.066 1.00 0.00 WAT1 ATOM 3889 H2 TIP3 494 15.142 -50.313 -17.181 1.00 0.00 WAT1 ATOM 3890 OH2 TIP3 495 2.253 -53.832 -17.236 1.00 0.00 WAT1 ATOM 3891 H1 TIP3 495 2.405 -53.834 -16.264 1.00 0.00 WAT1 ATOM 3892 H2 TIP3 495 3.063 -54.197 -17.604 1.00 0.00 WAT1 ATOM 3893 OH2 TIP3 496 3.159 -50.436 -14.484 1.00 0.00 WAT1 ATOM 3894 H1 TIP3 496 2.754 -50.349 -15.359 1.00 0.00 WAT1 ATOM 3895 H2 TIP3 496 2.488 -50.914 -13.952 1.00 0.00 WAT1 ATOM 3896 OH2 TIP3 497 11.046 -51.490 -13.648 1.00 0.00 WAT1 ATOM 3897 H1 TIP3 497 11.210 -50.985 -14.475 1.00 0.00 WAT1 ATOM 3898 H2 TIP3 497 11.892 -51.972 -13.492 1.00 0.00 WAT1 ATOM 3899 OH2 TIP3 498 11.987 -52.409 -17.893 1.00 0.00 WAT1 ATOM 3900 H1 TIP3 498 11.684 -51.590 -18.291 1.00 0.00 WAT1 ATOM 3901 H2 TIP3 498 11.239 -53.032 -18.028 1.00 0.00 WAT1 ATOM 3902 OH2 TIP3 499 13.770 -55.416 -15.658 1.00 0.00 WAT1 ATOM 3903 H1 TIP3 499 14.139 -55.860 -14.861 1.00 0.00 WAT1 ATOM 3904 H2 TIP3 499 12.949 -55.884 -15.828 1.00 0.00 WAT1 ATOM 3905 OH2 TIP3 500 1.039 -52.344 -24.561 1.00 0.00 WAT1 ATOM 3906 H1 TIP3 500 1.080 -53.195 -24.068 1.00 0.00 WAT1 ATOM 3907 H2 TIP3 500 1.282 -51.673 -23.895 1.00 0.00 WAT1 ATOM 3908 OH2 TIP3 501 -0.010 -54.248 -20.496 1.00 0.00 WAT1 ATOM 3909 H1 TIP3 501 -0.850 -54.701 -20.397 1.00 0.00 WAT1 ATOM 3910 H2 TIP3 501 0.058 -53.688 -19.697 1.00 0.00 WAT1 ATOM 3911 OH2 TIP3 502 15.056 -48.477 -14.264 1.00 0.00 WAT1 ATOM 3912 H1 TIP3 502 15.166 -49.022 -15.071 1.00 0.00 WAT1 ATOM 3913 H2 TIP3 502 14.452 -49.014 -13.697 1.00 0.00 WAT1 ATOM 3914 OH2 TIP3 503 14.240 -54.621 -11.497 1.00 0.00 WAT1 ATOM 3915 H1 TIP3 503 13.357 -54.608 -11.063 1.00 0.00 WAT1 ATOM 3916 H2 TIP3 503 14.878 -54.550 -10.748 1.00 0.00 WAT1 ATOM 3917 OH2 TIP3 504 2.766 -53.795 -14.539 1.00 0.00 WAT1 ATOM 3918 H1 TIP3 504 2.882 -54.621 -14.020 1.00 0.00 WAT1 ATOM 3919 H2 TIP3 504 2.306 -53.186 -13.921 1.00 0.00 WAT1 ATOM 3920 OH2 TIP3 505 5.658 -51.130 -13.747 1.00 0.00 WAT1 ATOM 3921 H1 TIP3 505 6.131 -50.357 -14.078 1.00 0.00 WAT1 ATOM 3922 H2 TIP3 505 4.704 -50.908 -13.898 1.00 0.00 WAT1 ATOM 3923 OH2 TIP3 506 11.978 -49.743 -15.535 1.00 0.00 WAT1 ATOM 3924 H1 TIP3 506 12.061 -48.837 -15.183 1.00 0.00 WAT1 ATOM 3925 H2 TIP3 506 12.870 -49.952 -15.861 1.00 0.00 WAT1 ATOM 3926 OH2 TIP3 507 2.540 -49.981 -17.641 1.00 0.00 WAT1 ATOM 3927 H1 TIP3 507 2.234 -50.201 -18.543 1.00 0.00 WAT1 ATOM 3928 H2 TIP3 507 3.514 -49.915 -17.730 1.00 0.00 WAT1 ATOM 3929 OH2 TIP3 508 6.770 -47.872 -17.084 1.00 0.00 WAT1 ATOM 3930 H1 TIP3 508 6.662 -47.117 -16.461 1.00 0.00 WAT1 ATOM 3931 H2 TIP3 508 7.638 -47.728 -17.476 1.00 0.00 WAT1 ATOM 3932 OH2 TIP3 509 12.676 -47.157 -14.526 1.00 0.00 WAT1 ATOM 3933 H1 TIP3 509 12.756 -46.305 -15.004 1.00 0.00 WAT1 ATOM 3934 H2 TIP3 509 13.604 -47.452 -14.407 1.00 0.00 WAT1 ATOM 3935 OH2 TIP3 510 0.187 -52.519 -18.313 1.00 0.00 WAT1 ATOM 3936 H1 TIP3 510 0.008 -51.854 -17.622 1.00 0.00 WAT1 ATOM 3937 H2 TIP3 510 0.932 -53.057 -17.940 1.00 0.00 WAT1 ATOM 3938 OH2 TIP3 511 1.169 -50.587 -20.035 1.00 0.00 WAT1 ATOM 3939 H1 TIP3 511 0.358 -50.057 -19.966 1.00 0.00 WAT1 ATOM 3940 H2 TIP3 511 0.935 -51.440 -19.611 1.00 0.00 WAT1 ATOM 3941 OH2 TIP3 512 4.232 -51.857 -20.075 1.00 0.00 WAT1 ATOM 3942 H1 TIP3 512 4.878 -51.557 -20.744 1.00 0.00 WAT1 ATOM 3943 H2 TIP3 512 4.384 -51.265 -19.319 1.00 0.00 WAT1 ATOM 3944 OH2 TIP3 513 13.493 -49.965 -12.710 1.00 0.00 WAT1 ATOM 3945 H1 TIP3 513 13.607 -50.938 -12.805 1.00 0.00 WAT1 ATOM 3946 H2 TIP3 513 13.814 -49.771 -11.791 1.00 0.00 WAT1 ATOM 3947 OH2 TIP3 514 9.639 -56.255 -4.553 1.00 0.00 WAT1 ATOM 3948 H1 TIP3 514 8.817 -56.009 -4.073 1.00 0.00 WAT1 ATOM 3949 H2 TIP3 514 10.042 -56.948 -4.000 1.00 0.00 WAT1 ATOM 3950 OH2 TIP3 515 4.638 -55.847 -6.457 1.00 0.00 WAT1 ATOM 3951 H1 TIP3 515 4.540 -56.686 -5.969 1.00 0.00 WAT1 ATOM 3952 H2 TIP3 515 3.854 -55.325 -6.187 1.00 0.00 WAT1 ATOM 3953 OH2 TIP3 516 -0.475 -54.274 -1.411 1.00 0.00 WAT1 ATOM 3954 H1 TIP3 516 0.062 -54.941 -1.863 1.00 0.00 WAT1 ATOM 3955 H2 TIP3 516 -0.100 -54.240 -0.499 1.00 0.00 WAT1 ATOM 3956 OH2 TIP3 517 1.625 -56.236 -3.972 1.00 0.00 WAT1 ATOM 3957 H1 TIP3 517 2.397 -56.807 -4.151 1.00 0.00 WAT1 ATOM 3958 H2 TIP3 517 1.825 -55.411 -4.457 1.00 0.00 WAT1 ATOM 3959 OH2 TIP3 518 6.034 -58.071 -2.708 1.00 0.00 WAT1 ATOM 3960 H1 TIP3 518 5.632 -58.254 -1.842 1.00 0.00 WAT1 ATOM 3961 H2 TIP3 518 6.898 -58.529 -2.670 1.00 0.00 WAT1 ATOM 3962 OH2 TIP3 519 0.286 -57.382 -1.893 1.00 0.00 WAT1 ATOM 3963 H1 TIP3 519 0.554 -56.947 -2.736 1.00 0.00 WAT1 ATOM 3964 H2 TIP3 519 1.118 -57.409 -1.368 1.00 0.00 WAT1 ATOM 3965 OH2 TIP3 520 3.925 -57.787 -4.470 1.00 0.00 WAT1 ATOM 3966 H1 TIP3 520 4.717 -57.789 -3.890 1.00 0.00 WAT1 ATOM 3967 H2 TIP3 520 3.501 -58.650 -4.292 1.00 0.00 WAT1 ATOM 3968 OH2 TIP3 521 14.058 -59.243 1.415 1.00 0.00 WAT1 ATOM 3969 H1 TIP3 521 14.919 -59.028 1.009 1.00 0.00 WAT1 ATOM 3970 H2 TIP3 521 13.776 -58.398 1.832 1.00 0.00 WAT1 ATOM 3971 OH2 TIP3 522 10.924 -52.824 -5.812 1.00 0.00 WAT1 ATOM 3972 H1 TIP3 522 10.008 -52.692 -6.125 1.00 0.00 WAT1 ATOM 3973 H2 TIP3 522 11.340 -53.363 -6.517 1.00 0.00 WAT1 ATOM 3974 OH2 TIP3 523 0.053 -59.791 -3.213 1.00 0.00 WAT1 ATOM 3975 H1 TIP3 523 0.105 -58.921 -2.766 1.00 0.00 WAT1 ATOM 3976 H2 TIP3 523 -0.890 -60.027 -3.153 1.00 0.00 WAT1 ATOM 3977 OH2 TIP3 524 2.500 -51.700 -6.527 1.00 0.00 WAT1 ATOM 3978 H1 TIP3 524 1.718 -51.710 -7.116 1.00 0.00 WAT1 ATOM 3979 H2 TIP3 524 2.144 -51.370 -5.672 1.00 0.00 WAT1 ATOM 3980 OH2 TIP3 525 8.443 -55.856 -6.961 1.00 0.00 WAT1 ATOM 3981 H1 TIP3 525 8.957 -55.997 -6.127 1.00 0.00 WAT1 ATOM 3982 H2 TIP3 525 7.542 -56.124 -6.730 1.00 0.00 WAT1 ATOM 3983 OH2 TIP3 526 10.499 -56.231 -8.747 1.00 0.00 WAT1 ATOM 3984 H1 TIP3 526 10.476 -57.178 -8.918 1.00 0.00 WAT1 ATOM 3985 H2 TIP3 526 9.705 -56.068 -8.188 1.00 0.00 WAT1 ATOM 3986 OH2 TIP3 527 5.658 -53.009 -9.594 1.00 0.00 WAT1 ATOM 3987 H1 TIP3 527 6.014 -53.503 -8.839 1.00 0.00 WAT1 ATOM 3988 H2 TIP3 527 5.381 -52.159 -9.214 1.00 0.00 WAT1 ATOM 3989 OH2 TIP3 528 2.627 -57.282 -0.581 1.00 0.00 WAT1 ATOM 3990 H1 TIP3 528 2.609 -57.141 0.374 1.00 0.00 WAT1 ATOM 3991 H2 TIP3 528 3.204 -56.545 -0.918 1.00 0.00 WAT1 ATOM 3992 OH2 TIP3 529 14.968 -51.432 -8.868 1.00 0.00 WAT1 ATOM 3993 H1 TIP3 529 15.908 -51.644 -9.044 1.00 0.00 WAT1 ATOM 3994 H2 TIP3 529 14.816 -50.589 -9.355 1.00 0.00 WAT1 ATOM 3995 OH2 TIP3 530 13.759 -61.671 2.484 1.00 0.00 WAT1 ATOM 3996 H1 TIP3 530 13.754 -60.796 2.023 1.00 0.00 WAT1 ATOM 3997 H2 TIP3 530 12.813 -61.814 2.736 1.00 0.00 WAT1 ATOM 3998 OH2 TIP3 531 11.410 -62.261 3.656 1.00 0.00 WAT1 ATOM 3999 H1 TIP3 531 11.460 -61.790 4.516 1.00 0.00 WAT1 ATOM 4000 H2 TIP3 531 10.473 -62.150 3.379 1.00 0.00 WAT1 ATOM 4001 OH2 TIP3 532 14.520 -56.599 -13.343 1.00 0.00 WAT1 ATOM 4002 H1 TIP3 532 15.108 -57.199 -12.879 1.00 0.00 WAT1 ATOM 4003 H2 TIP3 532 14.399 -55.849 -12.716 1.00 0.00 WAT1 ATOM 4004 OH2 TIP3 533 3.946 -59.649 -1.071 1.00 0.00 WAT1 ATOM 4005 H1 TIP3 533 3.580 -59.949 -1.930 1.00 0.00 WAT1 ATOM 4006 H2 TIP3 533 3.431 -58.840 -0.865 1.00 0.00 WAT1 ATOM 4007 OH2 TIP3 534 7.120 -56.413 2.511 1.00 0.00 WAT1 ATOM 4008 H1 TIP3 534 7.079 -55.899 3.352 1.00 0.00 WAT1 ATOM 4009 H2 TIP3 534 6.422 -56.024 1.962 1.00 0.00 WAT1 ATOM 4010 OH2 TIP3 535 10.913 -58.365 -2.912 1.00 0.00 WAT1 ATOM 4011 H1 TIP3 535 10.066 -58.767 -2.630 1.00 0.00 WAT1 ATOM 4012 H2 TIP3 535 11.595 -58.867 -2.412 1.00 0.00 WAT1 ATOM 4013 OH2 TIP3 536 4.073 -59.948 2.134 1.00 0.00 WAT1 ATOM 4014 H1 TIP3 536 4.107 -59.973 1.164 1.00 0.00 WAT1 ATOM 4015 H2 TIP3 536 3.945 -58.998 2.345 1.00 0.00 WAT1 ATOM 4016 OH2 TIP3 537 7.131 -55.662 -3.525 1.00 0.00 WAT1 ATOM 4017 H1 TIP3 537 6.694 -56.478 -3.206 1.00 0.00 WAT1 ATOM 4018 H2 TIP3 537 6.438 -54.986 -3.468 1.00 0.00 WAT1 ATOM 4019 OH2 TIP3 538 2.732 -60.173 -3.533 1.00 0.00 WAT1 ATOM 4020 H1 TIP3 538 1.760 -60.039 -3.405 1.00 0.00 WAT1 ATOM 4021 H2 TIP3 538 2.790 -60.984 -4.047 1.00 0.00 WAT1 ATOM 4022 OH2 TIP3 539 6.526 -60.678 -0.397 1.00 0.00 WAT1 ATOM 4023 H1 TIP3 539 5.601 -60.719 -0.688 1.00 0.00 WAT1 ATOM 4024 H2 TIP3 539 6.579 -59.836 0.105 1.00 0.00 WAT1 ATOM 4025 OH2 TIP3 540 8.387 -53.065 -6.901 1.00 0.00 WAT1 ATOM 4026 H1 TIP3 540 8.555 -54.009 -7.079 1.00 0.00 WAT1 ATOM 4027 H2 TIP3 540 7.512 -53.058 -6.463 1.00 0.00 WAT1 ATOM 4028 OH2 TIP3 541 11.660 -54.489 -10.532 1.00 0.00 WAT1 ATOM 4029 H1 TIP3 541 10.958 -54.159 -11.143 1.00 0.00 WAT1 ATOM 4030 H2 TIP3 541 11.179 -55.077 -9.911 1.00 0.00 WAT1 ATOM 4031 OH2 TIP3 542 -3.234 -59.114 1.714 1.00 0.00 WAT1 ATOM 4032 H1 TIP3 542 -2.451 -59.039 1.124 1.00 0.00 WAT1 ATOM 4033 H2 TIP3 542 -3.228 -60.055 1.996 1.00 0.00 WAT1 ATOM 4034 OH2 TIP3 543 6.423 -58.076 5.426 1.00 0.00 WAT1 ATOM 4035 H1 TIP3 543 6.267 -57.136 5.197 1.00 0.00 WAT1 ATOM 4036 H2 TIP3 543 6.707 -58.046 6.352 1.00 0.00 WAT1 ATOM 4037 OH2 TIP3 544 14.958 -52.684 -6.390 1.00 0.00 WAT1 ATOM 4038 H1 TIP3 544 14.810 -52.223 -7.244 1.00 0.00 WAT1 ATOM 4039 H2 TIP3 544 15.925 -52.654 -6.267 1.00 0.00 WAT1 ATOM 4040 OH2 TIP3 545 4.879 -53.743 -3.333 1.00 0.00 WAT1 ATOM 4041 H1 TIP3 545 4.550 -54.356 -2.618 1.00 0.00 WAT1 ATOM 4042 H2 TIP3 545 5.114 -52.937 -2.859 1.00 0.00 WAT1 ATOM 4043 OH2 TIP3 546 5.831 -53.414 -5.989 1.00 0.00 WAT1 ATOM 4044 H1 TIP3 546 5.568 -53.363 -5.052 1.00 0.00 WAT1 ATOM 4045 H2 TIP3 546 5.503 -54.292 -6.278 1.00 0.00 WAT1 ATOM 4046 OH2 TIP3 547 12.552 -51.913 -10.077 1.00 0.00 WAT1 ATOM 4047 H1 TIP3 547 13.392 -51.898 -9.571 1.00 0.00 WAT1 ATOM 4048 H2 TIP3 547 12.332 -52.864 -10.147 1.00 0.00 WAT1 ATOM 4049 OH2 TIP3 548 12.275 -54.796 -7.170 1.00 0.00 WAT1 ATOM 4050 H1 TIP3 548 11.752 -55.346 -7.785 1.00 0.00 WAT1 ATOM 4051 H2 TIP3 548 13.077 -55.330 -6.992 1.00 0.00 WAT1 ATOM 4052 OH2 TIP3 549 9.784 -53.361 -12.190 1.00 0.00 WAT1 ATOM 4053 H1 TIP3 549 10.182 -52.716 -12.816 1.00 0.00 WAT1 ATOM 4054 H2 TIP3 549 8.829 -53.138 -12.190 1.00 0.00 WAT1 ATOM 4055 OH2 TIP3 550 7.126 -52.742 -11.986 1.00 0.00 WAT1 ATOM 4056 H1 TIP3 550 6.601 -52.879 -11.172 1.00 0.00 WAT1 ATOM 4057 H2 TIP3 550 6.567 -52.156 -12.536 1.00 0.00 WAT1 ATOM 4058 OH2 TIP3 551 2.869 -54.129 -5.258 1.00 0.00 WAT1 ATOM 4059 H1 TIP3 551 3.487 -53.920 -4.529 1.00 0.00 WAT1 ATOM 4060 H2 TIP3 551 2.739 -53.271 -5.715 1.00 0.00 WAT1 ATOM 4061 OH2 TIP3 552 8.775 -61.744 2.985 1.00 0.00 WAT1 ATOM 4062 H1 TIP3 552 8.368 -62.065 2.175 1.00 0.00 WAT1 ATOM 4063 H2 TIP3 552 8.112 -61.123 3.355 1.00 0.00 WAT1 ATOM 4064 OH2 TIP3 553 8.435 -59.236 -1.796 1.00 0.00 WAT1 ATOM 4065 H1 TIP3 553 8.430 -58.635 -1.036 1.00 0.00 WAT1 ATOM 4066 H2 TIP3 553 7.958 -60.029 -1.473 1.00 0.00 WAT1 ATOM 4067 OH2 TIP3 554 18.394 -61.508 1.485 1.00 0.00 WAT1 ATOM 4068 H1 TIP3 554 17.606 -62.091 1.505 1.00 0.00 WAT1 ATOM 4069 H2 TIP3 554 18.298 -61.016 0.658 1.00 0.00 WAT1 ATOM 4070 OH2 TIP3 555 12.975 -59.326 -1.333 1.00 0.00 WAT1 ATOM 4071 H1 TIP3 555 13.222 -58.409 -1.089 1.00 0.00 WAT1 ATOM 4072 H2 TIP3 555 13.023 -59.810 -0.496 1.00 0.00 WAT1 ATOM 4073 OH2 TIP3 556 3.692 -55.878 -13.003 1.00 0.00 WAT1 ATOM 4074 H1 TIP3 556 3.724 -55.300 -12.211 1.00 0.00 WAT1 ATOM 4075 H2 TIP3 556 4.633 -56.080 -13.186 1.00 0.00 WAT1 ATOM 4076 OH2 TIP3 557 1.068 -51.250 -4.208 1.00 0.00 WAT1 ATOM 4077 H1 TIP3 557 1.451 -51.038 -3.353 1.00 0.00 WAT1 ATOM 4078 H2 TIP3 557 0.129 -51.409 -4.013 1.00 0.00 WAT1 ATOM 4079 OH2 TIP3 558 6.424 -55.607 -13.323 1.00 0.00 WAT1 ATOM 4080 H1 TIP3 558 7.139 -55.259 -12.778 1.00 0.00 WAT1 ATOM 4081 H2 TIP3 558 6.186 -54.864 -13.911 1.00 0.00 WAT1 ATOM 4082 OH2 TIP3 559 13.499 -52.619 -13.254 1.00 0.00 WAT1 ATOM 4083 H1 TIP3 559 13.806 -52.847 -14.155 1.00 0.00 WAT1 ATOM 4084 H2 TIP3 559 13.855 -53.339 -12.687 1.00 0.00 WAT1 ATOM 4085 OH2 TIP3 560 -0.158 -58.757 2.441 1.00 0.00 WAT1 ATOM 4086 H1 TIP3 560 0.488 -59.448 2.686 1.00 0.00 WAT1 ATOM 4087 H2 TIP3 560 -0.364 -58.939 1.504 1.00 0.00 WAT1 ATOM 4088 OH2 TIP3 561 6.573 -58.103 0.429 1.00 0.00 WAT1 ATOM 4089 H1 TIP3 561 5.837 -57.453 0.376 1.00 0.00 WAT1 ATOM 4090 H2 TIP3 561 7.080 -57.817 1.219 1.00 0.00 WAT1 ATOM 4091 OH2 TIP3 562 6.584 -60.121 3.603 1.00 0.00 WAT1 ATOM 4092 H1 TIP3 562 5.731 -60.213 3.138 1.00 0.00 WAT1 ATOM 4093 H2 TIP3 562 6.424 -59.410 4.260 1.00 0.00 WAT1 ATOM 4094 OH2 TIP3 563 3.756 -57.305 2.822 1.00 0.00 WAT1 ATOM 4095 H1 TIP3 563 4.370 -57.140 3.554 1.00 0.00 WAT1 ATOM 4096 H2 TIP3 563 4.129 -56.774 2.070 1.00 0.00 WAT1 ATOM 4097 OH2 TIP3 564 8.867 -55.181 6.332 1.00 0.00 WAT1 ATOM 4098 H1 TIP3 564 9.587 -55.809 6.091 1.00 0.00 WAT1 ATOM 4099 H2 TIP3 564 8.236 -55.234 5.580 1.00 0.00 WAT1 ATOM 4100 OH2 TIP3 565 2.356 -60.300 6.319 1.00 0.00 WAT1 ATOM 4101 H1 TIP3 565 1.521 -60.209 6.793 1.00 0.00 WAT1 ATOM 4102 H2 TIP3 565 2.678 -59.379 6.221 1.00 0.00 WAT1 ATOM 4103 OH2 TIP3 566 9.220 -59.292 5.403 1.00 0.00 WAT1 ATOM 4104 H1 TIP3 566 8.593 -59.127 4.680 1.00 0.00 WAT1 ATOM 4105 H2 TIP3 566 9.664 -58.422 5.540 1.00 0.00 WAT1 ATOM 4106 OH2 TIP3 567 11.470 -60.770 5.949 1.00 0.00 WAT1 ATOM 4107 H1 TIP3 567 10.678 -60.275 5.649 1.00 0.00 WAT1 ATOM 4108 H2 TIP3 567 11.362 -60.822 6.920 1.00 0.00 WAT1 ATOM 4109 OH2 TIP3 568 3.509 -54.216 -10.865 1.00 0.00 WAT1 ATOM 4110 H1 TIP3 568 4.337 -53.882 -10.464 1.00 0.00 WAT1 ATOM 4111 H2 TIP3 568 2.822 -53.595 -10.545 1.00 0.00 WAT1 ATOM 4112 OH2 TIP3 569 -1.311 -51.710 -2.178 1.00 0.00 WAT1 ATOM 4113 H1 TIP3 569 -0.936 -52.593 -1.979 1.00 0.00 WAT1 ATOM 4114 H2 TIP3 569 -2.164 -51.710 -1.720 1.00 0.00 WAT1 ATOM 4115 OH2 TIP3 570 14.525 -56.023 -6.062 1.00 0.00 WAT1 ATOM 4116 H1 TIP3 570 15.370 -55.796 -6.507 1.00 0.00 WAT1 ATOM 4117 H2 TIP3 570 14.780 -56.686 -5.390 1.00 0.00 WAT1 ATOM 4118 OH2 TIP3 571 15.611 -57.483 -3.928 1.00 0.00 WAT1 ATOM 4119 H1 TIP3 571 16.413 -56.941 -4.087 1.00 0.00 WAT1 ATOM 4120 H2 TIP3 571 15.965 -58.342 -3.619 1.00 0.00 WAT1 ATOM 4121 OH2 TIP3 572 13.019 -56.595 -3.487 1.00 0.00 WAT1 ATOM 4122 H1 TIP3 572 12.293 -57.245 -3.404 1.00 0.00 WAT1 ATOM 4123 H2 TIP3 572 13.830 -57.141 -3.527 1.00 0.00 WAT1 ATOM 4124 OH2 TIP3 573 -3.811 -57.285 -2.183 1.00 0.00 WAT1 ATOM 4125 H1 TIP3 573 -4.755 -57.116 -1.996 1.00 0.00 WAT1 ATOM 4126 H2 TIP3 573 -3.357 -56.501 -1.819 1.00 0.00 WAT1 ATOM 4127 OH2 TIP3 574 15.895 -57.407 3.578 1.00 0.00 WAT1 ATOM 4128 H1 TIP3 574 15.718 -58.364 3.724 1.00 0.00 WAT1 ATOM 4129 H2 TIP3 574 15.135 -57.103 3.024 1.00 0.00 WAT1 ATOM 4130 OH2 TIP3 575 16.079 -62.028 -3.447 1.00 0.00 WAT1 ATOM 4131 H1 TIP3 575 16.524 -61.180 -3.639 1.00 0.00 WAT1 ATOM 4132 H2 TIP3 575 15.686 -62.287 -4.285 1.00 0.00 WAT1 ATOM 4133 OH2 TIP3 576 13.754 -56.869 -0.549 1.00 0.00 WAT1 ATOM 4134 H1 TIP3 576 13.695 -56.633 0.410 1.00 0.00 WAT1 ATOM 4135 H2 TIP3 576 13.262 -56.167 -0.997 1.00 0.00 WAT1 ATOM 4136 OH2 TIP3 577 -0.595 -60.949 5.169 1.00 0.00 WAT1 ATOM 4137 H1 TIP3 577 -0.654 -60.081 5.633 1.00 0.00 WAT1 ATOM 4138 H2 TIP3 577 0.140 -60.830 4.537 1.00 0.00 WAT1 ATOM 4139 OH2 TIP3 578 11.953 -57.973 8.220 1.00 0.00 WAT1 ATOM 4140 H1 TIP3 578 11.422 -58.782 8.383 1.00 0.00 WAT1 ATOM 4141 H2 TIP3 578 12.845 -58.202 8.557 1.00 0.00 WAT1 ATOM 4142 OH2 TIP3 579 7.926 -55.933 14.996 1.00 0.00 WAT1 ATOM 4143 H1 TIP3 579 8.460 -55.974 14.196 1.00 0.00 WAT1 ATOM 4144 H2 TIP3 579 8.471 -55.404 15.622 1.00 0.00 WAT1 ATOM 4145 OH2 TIP3 580 3.705 -54.309 16.644 1.00 0.00 WAT1 ATOM 4146 H1 TIP3 580 3.126 -54.322 17.433 1.00 0.00 WAT1 ATOM 4147 H2 TIP3 580 4.521 -53.862 16.957 1.00 0.00 WAT1 ATOM 4148 OH2 TIP3 581 12.915 -52.954 14.568 1.00 0.00 WAT1 ATOM 4149 H1 TIP3 581 12.099 -52.418 14.690 1.00 0.00 WAT1 ATOM 4150 H2 TIP3 581 13.390 -52.504 13.856 1.00 0.00 WAT1 ATOM 4151 OH2 TIP3 582 1.324 -58.800 12.394 1.00 0.00 WAT1 ATOM 4152 H1 TIP3 582 2.070 -58.477 12.950 1.00 0.00 WAT1 ATOM 4153 H2 TIP3 582 0.527 -58.507 12.872 1.00 0.00 WAT1 ATOM 4154 OH2 TIP3 583 8.962 -49.104 12.441 1.00 0.00 WAT1 ATOM 4155 H1 TIP3 583 9.837 -48.688 12.283 1.00 0.00 WAT1 ATOM 4156 H2 TIP3 583 8.324 -48.368 12.341 1.00 0.00 WAT1 ATOM 4157 OH2 TIP3 584 11.469 -56.655 16.025 1.00 0.00 WAT1 ATOM 4158 H1 TIP3 584 10.562 -56.633 16.352 1.00 0.00 WAT1 ATOM 4159 H2 TIP3 584 11.901 -55.893 16.471 1.00 0.00 WAT1 ATOM 4160 OH2 TIP3 585 5.218 -55.788 14.632 1.00 0.00 WAT1 ATOM 4161 H1 TIP3 585 4.889 -55.381 15.452 1.00 0.00 WAT1 ATOM 4162 H2 TIP3 585 6.191 -55.879 14.779 1.00 0.00 WAT1 ATOM 4163 OH2 TIP3 586 8.366 -53.287 10.518 1.00 0.00 WAT1 ATOM 4164 H1 TIP3 586 7.775 -52.671 10.023 1.00 0.00 WAT1 ATOM 4165 H2 TIP3 586 8.764 -52.725 11.218 1.00 0.00 WAT1 ATOM 4166 OH2 TIP3 587 6.316 -53.771 22.506 1.00 0.00 WAT1 ATOM 4167 H1 TIP3 587 5.867 -52.932 22.755 1.00 0.00 WAT1 ATOM 4168 H2 TIP3 587 5.779 -54.113 21.752 1.00 0.00 WAT1 ATOM 4169 OH2 TIP3 588 4.834 -54.236 20.241 1.00 0.00 WAT1 ATOM 4170 H1 TIP3 588 5.279 -53.897 19.440 1.00 0.00 WAT1 ATOM 4171 H2 TIP3 588 3.905 -54.322 19.978 1.00 0.00 WAT1 ATOM 4172 OH2 TIP3 589 1.277 -57.036 4.035 1.00 0.00 WAT1 ATOM 4173 H1 TIP3 589 0.617 -57.587 3.562 1.00 0.00 WAT1 ATOM 4174 H2 TIP3 589 2.078 -57.097 3.479 1.00 0.00 WAT1 ATOM 4175 OH2 TIP3 590 10.529 -51.548 14.805 1.00 0.00 WAT1 ATOM 4176 H1 TIP3 590 9.830 -51.708 15.463 1.00 0.00 WAT1 ATOM 4177 H2 TIP3 590 10.108 -51.770 13.947 1.00 0.00 WAT1 ATOM 4178 OH2 TIP3 591 12.938 -52.448 9.056 1.00 0.00 WAT1 ATOM 4179 H1 TIP3 591 12.260 -53.124 9.280 1.00 0.00 WAT1 ATOM 4180 H2 TIP3 591 13.332 -52.209 9.916 1.00 0.00 WAT1 ATOM 4181 OH2 TIP3 592 12.995 -55.759 13.841 1.00 0.00 WAT1 ATOM 4182 H1 TIP3 592 12.496 -56.198 14.559 1.00 0.00 WAT1 ATOM 4183 H2 TIP3 592 12.993 -54.817 14.092 1.00 0.00 WAT1 ATOM 4184 OH2 TIP3 593 13.632 -53.175 19.119 1.00 0.00 WAT1 ATOM 4185 H1 TIP3 593 13.680 -53.437 20.044 1.00 0.00 WAT1 ATOM 4186 H2 TIP3 593 13.585 -52.196 19.150 1.00 0.00 WAT1 ATOM 4187 OH2 TIP3 594 10.606 -60.383 8.576 1.00 0.00 WAT1 ATOM 4188 H1 TIP3 594 9.634 -60.389 8.445 1.00 0.00 WAT1 ATOM 4189 H2 TIP3 594 10.756 -61.031 9.302 1.00 0.00 WAT1 ATOM 4190 OH2 TIP3 595 10.737 -57.102 5.922 1.00 0.00 WAT1 ATOM 4191 H1 TIP3 595 11.266 -57.351 6.715 1.00 0.00 WAT1 ATOM 4192 H2 TIP3 595 11.408 -57.039 5.191 1.00 0.00 WAT1 ATOM 4193 OH2 TIP3 596 10.863 -54.151 9.574 1.00 0.00 WAT1 ATOM 4194 H1 TIP3 596 10.740 -55.092 9.407 1.00 0.00 WAT1 ATOM 4195 H2 TIP3 596 9.978 -53.842 9.856 1.00 0.00 WAT1 ATOM 4196 OH2 TIP3 597 5.859 -53.082 17.879 1.00 0.00 WAT1 ATOM 4197 H1 TIP3 597 5.598 -52.160 18.075 1.00 0.00 WAT1 ATOM 4198 H2 TIP3 597 6.810 -53.018 17.679 1.00 0.00 WAT1 ATOM 4199 OH2 TIP3 598 8.495 -51.902 17.171 1.00 0.00 WAT1 ATOM 4200 H1 TIP3 598 7.905 -51.206 17.519 1.00 0.00 WAT1 ATOM 4201 H2 TIP3 598 9.344 -51.765 17.664 1.00 0.00 WAT1 ATOM 4202 OH2 TIP3 599 5.408 -51.269 23.089 1.00 0.00 WAT1 ATOM 4203 H1 TIP3 599 4.522 -51.059 23.473 1.00 0.00 WAT1 ATOM 4204 H2 TIP3 599 5.376 -50.870 22.188 1.00 0.00 WAT1 ATOM 4205 OH2 TIP3 600 11.295 -62.143 10.552 1.00 0.00 WAT1 ATOM 4206 H1 TIP3 600 11.616 -63.058 10.406 1.00 0.00 WAT1 ATOM 4207 H2 TIP3 600 12.119 -61.620 10.700 1.00 0.00 WAT1 ATOM 4208 OH2 TIP3 601 9.707 -51.652 12.195 1.00 0.00 WAT1 ATOM 4209 H1 TIP3 601 10.498 -51.530 11.655 1.00 0.00 WAT1 ATOM 4210 H2 TIP3 601 9.333 -50.740 12.287 1.00 0.00 WAT1 ATOM 4211 OH2 TIP3 602 5.298 -50.201 20.593 1.00 0.00 WAT1 ATOM 4212 H1 TIP3 602 5.018 -49.276 20.459 1.00 0.00 WAT1 ATOM 4213 H2 TIP3 602 4.688 -50.722 20.016 1.00 0.00 WAT1 ATOM 4214 OH2 TIP3 603 1.881 -55.165 10.458 1.00 0.00 WAT1 ATOM 4215 H1 TIP3 603 2.285 -54.944 9.594 1.00 0.00 WAT1 ATOM 4216 H2 TIP3 603 1.826 -56.138 10.449 1.00 0.00 WAT1 ATOM 4217 OH2 TIP3 604 -2.705 -56.652 24.028 1.00 0.00 WAT1 ATOM 4218 H1 TIP3 604 -2.076 -56.152 23.471 1.00 0.00 WAT1 ATOM 4219 H2 TIP3 604 -2.855 -57.462 23.544 1.00 0.00 WAT1 ATOM 4220 OH2 TIP3 605 11.111 -52.293 21.129 1.00 0.00 WAT1 ATOM 4221 H1 TIP3 605 10.168 -52.464 21.337 1.00 0.00 WAT1 ATOM 4222 H2 TIP3 605 11.192 -51.314 21.185 1.00 0.00 WAT1 ATOM 4223 OH2 TIP3 606 12.082 -49.942 8.390 1.00 0.00 WAT1 ATOM 4224 H1 TIP3 606 11.238 -50.091 7.958 1.00 0.00 WAT1 ATOM 4225 H2 TIP3 606 12.441 -50.847 8.533 1.00 0.00 WAT1 ATOM 4226 OH2 TIP3 607 2.199 -54.021 18.987 1.00 0.00 WAT1 ATOM 4227 H1 TIP3 607 1.568 -53.299 18.755 1.00 0.00 WAT1 ATOM 4228 H2 TIP3 607 1.617 -54.760 19.262 1.00 0.00 WAT1 ATOM 4229 OH2 TIP3 608 3.947 -58.437 8.509 1.00 0.00 WAT1 ATOM 4230 H1 TIP3 608 3.626 -58.109 7.639 1.00 0.00 WAT1 ATOM 4231 H2 TIP3 608 4.479 -59.210 8.287 1.00 0.00 WAT1 ATOM 4232 OH2 TIP3 609 4.520 -56.652 10.509 1.00 0.00 WAT1 ATOM 4233 H1 TIP3 609 4.251 -57.230 9.769 1.00 0.00 WAT1 ATOM 4234 H2 TIP3 609 5.456 -56.886 10.662 1.00 0.00 WAT1 ATOM 4235 OH2 TIP3 610 7.188 -57.349 10.351 1.00 0.00 WAT1 ATOM 4236 H1 TIP3 610 7.167 -56.981 9.432 1.00 0.00 WAT1 ATOM 4237 H2 TIP3 610 7.669 -58.178 10.260 1.00 0.00 WAT1 ATOM 4238 OH2 TIP3 611 13.692 -47.339 20.847 1.00 0.00 WAT1 ATOM 4239 H1 TIP3 611 13.423 -46.709 21.553 1.00 0.00 WAT1 ATOM 4240 H2 TIP3 611 14.066 -48.105 21.340 1.00 0.00 WAT1 ATOM 4241 OH2 TIP3 612 6.921 -55.112 11.946 1.00 0.00 WAT1 ATOM 4242 H1 TIP3 612 7.111 -55.972 11.519 1.00 0.00 WAT1 ATOM 4243 H2 TIP3 612 7.482 -54.474 11.456 1.00 0.00 WAT1 ATOM 4244 OH2 TIP3 613 16.616 -63.994 3.916 1.00 0.00 WAT1 ATOM 4245 H1 TIP3 613 15.656 -63.963 4.156 1.00 0.00 WAT1 ATOM 4246 H2 TIP3 613 16.943 -64.783 4.358 1.00 0.00 WAT1 ATOM 4247 OH2 TIP3 614 10.852 -51.677 18.425 1.00 0.00 WAT1 ATOM 4248 H1 TIP3 614 11.671 -51.148 18.427 1.00 0.00 WAT1 ATOM 4249 H2 TIP3 614 10.902 -52.187 19.256 1.00 0.00 WAT1 ATOM 4250 OH2 TIP3 615 13.565 -60.666 10.913 1.00 0.00 WAT1 ATOM 4251 H1 TIP3 615 14.398 -60.880 11.344 1.00 0.00 WAT1 ATOM 4252 H2 TIP3 615 13.810 -59.999 10.235 1.00 0.00 WAT1 ATOM 4253 OH2 TIP3 616 2.074 -54.989 14.404 1.00 0.00 WAT1 ATOM 4254 H1 TIP3 616 1.100 -55.087 14.533 1.00 0.00 WAT1 ATOM 4255 H2 TIP3 616 2.404 -54.693 15.276 1.00 0.00 WAT1 ATOM 4256 OH2 TIP3 617 7.786 -52.730 6.817 1.00 0.00 WAT1 ATOM 4257 H1 TIP3 617 8.366 -53.517 6.885 1.00 0.00 WAT1 ATOM 4258 H2 TIP3 617 7.400 -52.803 5.936 1.00 0.00 WAT1 ATOM 4259 OH2 TIP3 618 14.374 -58.485 9.450 1.00 0.00 WAT1 ATOM 4260 H1 TIP3 618 15.178 -58.096 9.042 1.00 0.00 WAT1 ATOM 4261 H2 TIP3 618 14.265 -57.983 10.291 1.00 0.00 WAT1 ATOM 4262 OH2 TIP3 619 3.037 -57.690 6.034 1.00 0.00 WAT1 ATOM 4263 H1 TIP3 619 3.720 -56.979 5.960 1.00 0.00 WAT1 ATOM 4264 H2 TIP3 619 2.314 -57.389 5.433 1.00 0.00 WAT1 ATOM 4265 OH2 TIP3 620 9.573 -54.423 16.579 1.00 0.00 WAT1 ATOM 4266 H1 TIP3 620 9.159 -53.587 16.863 1.00 0.00 WAT1 ATOM 4267 H2 TIP3 620 10.525 -54.301 16.783 1.00 0.00 WAT1 ATOM 4268 OH2 TIP3 621 17.919 -49.410 6.884 1.00 0.00 WAT1 ATOM 4269 H1 TIP3 621 17.692 -49.971 6.112 1.00 0.00 WAT1 ATOM 4270 H2 TIP3 621 18.753 -49.791 7.211 1.00 0.00 WAT1 ATOM 4271 OH2 TIP3 622 2.956 -54.776 7.899 1.00 0.00 WAT1 ATOM 4272 H1 TIP3 622 2.774 -53.968 7.407 1.00 0.00 WAT1 ATOM 4273 H2 TIP3 622 3.690 -55.204 7.396 1.00 0.00 WAT1 ATOM 4274 OH2 TIP3 623 -0.555 -58.624 6.585 1.00 0.00 WAT1 ATOM 4275 H1 TIP3 623 -1.344 -58.373 7.104 1.00 0.00 WAT1 ATOM 4276 H2 TIP3 623 0.056 -57.864 6.704 1.00 0.00 WAT1 ATOM 4277 OH2 TIP3 624 11.379 -48.931 14.800 1.00 0.00 WAT1 ATOM 4278 H1 TIP3 624 11.501 -48.664 13.865 1.00 0.00 WAT1 ATOM 4279 H2 TIP3 624 11.111 -49.873 14.748 1.00 0.00 WAT1 ATOM 4280 OH2 TIP3 625 0.433 -47.319 20.030 1.00 0.00 WAT1 ATOM 4281 H1 TIP3 625 0.930 -47.247 19.188 1.00 0.00 WAT1 ATOM 4282 H2 TIP3 625 0.266 -48.283 20.122 1.00 0.00 WAT1 ATOM 4283 OH2 TIP3 626 4.665 -47.446 22.848 1.00 0.00 WAT1 ATOM 4284 H1 TIP3 626 4.415 -47.675 21.934 1.00 0.00 WAT1 ATOM 4285 H2 TIP3 626 3.892 -47.725 23.387 1.00 0.00 WAT1 ATOM 4286 OH2 TIP3 627 7.899 -53.829 24.744 1.00 0.00 WAT1 ATOM 4287 H1 TIP3 627 7.402 -53.918 23.896 1.00 0.00 WAT1 ATOM 4288 H2 TIP3 627 7.533 -54.522 25.303 1.00 0.00 WAT1 ATOM 4289 OH2 TIP3 628 12.332 -54.259 16.967 1.00 0.00 WAT1 ATOM 4290 H1 TIP3 628 12.816 -53.920 17.759 1.00 0.00 WAT1 ATOM 4291 H2 TIP3 628 12.702 -53.743 16.223 1.00 0.00 WAT1 ATOM 4292 OH2 TIP3 629 6.959 -56.442 7.826 1.00 0.00 WAT1 ATOM 4293 H1 TIP3 629 6.173 -56.149 7.319 1.00 0.00 WAT1 ATOM 4294 H2 TIP3 629 7.702 -55.944 7.423 1.00 0.00 WAT1 ATOM 4295 OH2 TIP3 630 8.007 -60.336 7.649 1.00 0.00 WAT1 ATOM 4296 H1 TIP3 630 7.481 -61.047 7.273 1.00 0.00 WAT1 ATOM 4297 H2 TIP3 630 8.427 -59.910 6.869 1.00 0.00 WAT1 ATOM 4298 OH2 TIP3 631 15.124 -48.491 18.322 1.00 0.00 WAT1 ATOM 4299 H1 TIP3 631 15.697 -47.966 17.739 1.00 0.00 WAT1 ATOM 4300 H2 TIP3 631 15.684 -48.658 19.121 1.00 0.00 WAT1 ATOM 4301 OH2 TIP3 632 16.604 -48.665 20.594 1.00 0.00 WAT1 ATOM 4302 H1 TIP3 632 16.204 -48.919 21.444 1.00 0.00 WAT1 ATOM 4303 H2 TIP3 632 17.290 -48.013 20.834 1.00 0.00 WAT1 ATOM 4304 OH2 TIP3 633 13.047 -53.241 24.907 1.00 0.00 WAT1 ATOM 4305 H1 TIP3 633 12.100 -53.071 25.105 1.00 0.00 WAT1 ATOM 4306 H2 TIP3 633 13.362 -53.731 25.668 1.00 0.00 WAT1 ATOM 4307 OH2 TIP3 634 13.957 -57.445 11.904 1.00 0.00 WAT1 ATOM 4308 H1 TIP3 634 13.378 -58.153 12.203 1.00 0.00 WAT1 ATOM 4309 H2 TIP3 634 13.763 -56.701 12.520 1.00 0.00 WAT1 ATOM 4310 OH2 TIP3 635 13.240 -50.464 19.319 1.00 0.00 WAT1 ATOM 4311 H1 TIP3 635 12.789 -50.118 20.117 1.00 0.00 WAT1 ATOM 4312 H2 TIP3 635 13.946 -49.817 19.142 1.00 0.00 WAT1 ATOM 4313 OH2 TIP3 636 13.837 -59.175 6.143 1.00 0.00 WAT1 ATOM 4314 H1 TIP3 636 13.018 -59.703 6.099 1.00 0.00 WAT1 ATOM 4315 H2 TIP3 636 14.416 -59.575 5.460 1.00 0.00 WAT1 ATOM 4316 OH2 TIP3 637 12.256 -64.718 10.975 1.00 0.00 WAT1 ATOM 4317 H1 TIP3 637 12.267 -65.675 11.044 1.00 0.00 WAT1 ATOM 4318 H2 TIP3 637 12.083 -64.412 11.889 1.00 0.00 WAT1 ATOM 4319 OH2 TIP3 638 3.169 -57.473 13.891 1.00 0.00 WAT1 ATOM 4320 H1 TIP3 638 4.076 -57.218 14.147 1.00 0.00 WAT1 ATOM 4321 H2 TIP3 638 2.626 -56.705 14.148 1.00 0.00 WAT1 ATOM 4322 OH2 TIP3 639 13.949 -63.789 4.262 1.00 0.00 WAT1 ATOM 4323 H1 TIP3 639 13.824 -63.036 3.654 1.00 0.00 WAT1 ATOM 4324 H2 TIP3 639 13.068 -63.948 4.621 1.00 0.00 WAT1 ATOM 4325 OH2 TIP3 640 14.172 -51.130 11.269 1.00 0.00 WAT1 ATOM 4326 H1 TIP3 640 13.926 -50.209 11.043 1.00 0.00 WAT1 ATOM 4327 H2 TIP3 640 15.126 -51.182 11.047 1.00 0.00 WAT1 ATOM 4328 OH2 TIP3 641 2.934 -50.565 23.948 1.00 0.00 WAT1 ATOM 4329 H1 TIP3 641 2.040 -50.951 23.860 1.00 0.00 WAT1 ATOM 4330 H2 TIP3 641 2.770 -49.633 24.196 1.00 0.00 WAT1 ATOM 4331 OH2 TIP3 642 16.229 -48.669 9.019 1.00 0.00 WAT1 ATOM 4332 H1 TIP3 642 16.349 -49.532 9.464 1.00 0.00 WAT1 ATOM 4333 H2 TIP3 642 16.674 -48.783 8.155 1.00 0.00 WAT1 ATOM 4334 OH2 TIP3 643 14.457 -49.436 22.448 1.00 0.00 WAT1 ATOM 4335 H1 TIP3 643 14.307 -50.411 22.436 1.00 0.00 WAT1 ATOM 4336 H2 TIP3 643 13.777 -49.101 23.068 1.00 0.00 WAT1 ATOM 4337 OH2 TIP3 644 11.366 -49.597 21.273 1.00 0.00 WAT1 ATOM 4338 H1 TIP3 644 11.712 -49.169 22.086 1.00 0.00 WAT1 ATOM 4339 H2 TIP3 644 10.598 -49.057 21.031 1.00 0.00 WAT1 ATOM 4340 OH2 TIP3 645 10.408 -52.817 25.467 1.00 0.00 WAT1 ATOM 4341 H1 TIP3 645 9.604 -53.311 25.212 1.00 0.00 WAT1 ATOM 4342 H2 TIP3 645 10.153 -51.891 25.381 1.00 0.00 WAT1 ATOM 4343 OH2 TIP3 646 7.455 -47.354 22.889 1.00 0.00 WAT1 ATOM 4344 H1 TIP3 646 7.560 -46.412 23.109 1.00 0.00 WAT1 ATOM 4345 H2 TIP3 646 6.485 -47.501 22.920 1.00 0.00 WAT1 ATOM 4346 OH2 TIP3 647 7.924 -51.123 24.159 1.00 0.00 WAT1 ATOM 4347 H1 TIP3 647 6.997 -50.932 23.888 1.00 0.00 WAT1 ATOM 4348 H2 TIP3 647 7.874 -52.012 24.559 1.00 0.00 WAT1 ATOM 4349 OH2 TIP3 648 7.957 -50.211 19.763 1.00 0.00 WAT1 ATOM 4350 H1 TIP3 648 8.300 -50.940 20.312 1.00 0.00 WAT1 ATOM 4351 H2 TIP3 648 7.002 -50.182 19.976 1.00 0.00 WAT1 ATOM 4352 OH2 TIP3 649 13.511 -52.030 22.454 1.00 0.00 WAT1 ATOM 4353 H1 TIP3 649 13.448 -52.475 23.327 1.00 0.00 WAT1 ATOM 4354 H2 TIP3 649 12.672 -52.262 22.007 1.00 0.00 WAT1 ATOM 4355 OH2 TIP3 650 8.450 -52.219 21.637 1.00 0.00 WAT1 ATOM 4356 H1 TIP3 650 7.765 -52.911 21.715 1.00 0.00 WAT1 ATOM 4357 H2 TIP3 650 8.374 -51.716 22.473 1.00 0.00 WAT1 ATOM 4358 OH2 TIP3 651 3.692 -44.351 26.831 1.00 0.00 WAT1 ATOM 4359 H1 TIP3 651 3.706 -44.176 27.799 1.00 0.00 WAT1 ATOM 4360 H2 TIP3 651 3.056 -45.089 26.730 1.00 0.00 WAT1 ATOM 4361 OH2 TIP3 652 9.510 -48.875 24.002 1.00 0.00 WAT1 ATOM 4362 H1 TIP3 652 9.015 -49.715 24.103 1.00 0.00 WAT1 ATOM 4363 H2 TIP3 652 8.836 -48.240 23.689 1.00 0.00 WAT1 ATOM 4364 OH2 TIP3 653 2.389 -47.906 24.446 1.00 0.00 WAT1 ATOM 4365 H1 TIP3 653 1.573 -47.771 23.918 1.00 0.00 WAT1 ATOM 4366 H2 TIP3 653 2.263 -47.330 25.231 1.00 0.00 WAT1 ATOM 4367 OH2 TIP3 654 7.747 -38.849 -16.911 1.00 0.00 WAT1 ATOM 4368 H1 TIP3 654 7.516 -39.751 -17.235 1.00 0.00 WAT1 ATOM 4369 H2 TIP3 654 7.509 -38.868 -15.976 1.00 0.00 WAT1 ATOM 4370 OH2 TIP3 655 2.565 -35.634 -21.962 1.00 0.00 WAT1 ATOM 4371 H1 TIP3 655 1.704 -35.830 -21.577 1.00 0.00 WAT1 ATOM 4372 H2 TIP3 655 3.201 -36.064 -21.358 1.00 0.00 WAT1 ATOM 4373 OH2 TIP3 656 1.767 -38.180 -24.266 1.00 0.00 WAT1 ATOM 4374 H1 TIP3 656 1.850 -39.158 -24.302 1.00 0.00 WAT1 ATOM 4375 H2 TIP3 656 2.382 -37.918 -23.571 1.00 0.00 WAT1 ATOM 4376 OH2 TIP3 657 -0.429 -39.918 -23.176 1.00 0.00 WAT1 ATOM 4377 H1 TIP3 657 -0.294 -39.011 -23.478 1.00 0.00 WAT1 ATOM 4378 H2 TIP3 657 0.349 -40.403 -23.523 1.00 0.00 WAT1 ATOM 4379 OH2 TIP3 658 6.783 -35.577 -19.491 1.00 0.00 WAT1 ATOM 4380 H1 TIP3 658 6.129 -35.357 -18.802 1.00 0.00 WAT1 ATOM 4381 H2 TIP3 658 7.598 -35.780 -18.992 1.00 0.00 WAT1 ATOM 4382 OH2 TIP3 659 9.507 -42.868 -18.323 1.00 0.00 WAT1 ATOM 4383 H1 TIP3 659 10.235 -42.976 -17.687 1.00 0.00 WAT1 ATOM 4384 H2 TIP3 659 9.593 -43.638 -18.923 1.00 0.00 WAT1 ATOM 4385 OH2 TIP3 660 4.104 -41.418 -20.906 1.00 0.00 WAT1 ATOM 4386 H1 TIP3 660 4.762 -41.972 -20.430 1.00 0.00 WAT1 ATOM 4387 H2 TIP3 660 3.470 -42.068 -21.287 1.00 0.00 WAT1 ATOM 4388 OH2 TIP3 661 13.016 -44.839 -16.016 1.00 0.00 WAT1 ATOM 4389 H1 TIP3 661 12.392 -44.081 -15.909 1.00 0.00 WAT1 ATOM 4390 H2 TIP3 661 12.858 -45.147 -16.914 1.00 0.00 WAT1 ATOM 4391 OH2 TIP3 662 10.528 -39.335 -17.008 1.00 0.00 WAT1 ATOM 4392 H1 TIP3 662 10.735 -38.463 -16.605 1.00 0.00 WAT1 ATOM 4393 H2 TIP3 662 9.568 -39.300 -17.166 1.00 0.00 WAT1 ATOM 4394 OH2 TIP3 663 5.526 -41.226 -23.272 1.00 0.00 WAT1 ATOM 4395 H1 TIP3 663 5.008 -41.111 -22.451 1.00 0.00 WAT1 ATOM 4396 H2 TIP3 663 6.429 -41.344 -22.967 1.00 0.00 WAT1 ATOM 4397 OH2 TIP3 664 4.342 -36.796 -20.099 1.00 0.00 WAT1 ATOM 4398 H1 TIP3 664 5.288 -36.644 -20.306 1.00 0.00 WAT1 ATOM 4399 H2 TIP3 664 4.190 -36.257 -19.302 1.00 0.00 WAT1 ATOM 4400 OH2 TIP3 665 8.424 -33.638 -16.453 1.00 0.00 WAT1 ATOM 4401 H1 TIP3 665 8.391 -34.495 -16.930 1.00 0.00 WAT1 ATOM 4402 H2 TIP3 665 9.167 -33.150 -16.889 1.00 0.00 WAT1 ATOM 4403 OH2 TIP3 666 -1.416 -38.116 -20.019 1.00 0.00 WAT1 ATOM 4404 H1 TIP3 666 -0.521 -37.779 -19.818 1.00 0.00 WAT1 ATOM 4405 H2 TIP3 666 -1.684 -37.609 -20.821 1.00 0.00 WAT1 ATOM 4406 OH2 TIP3 667 2.910 -31.335 -25.239 1.00 0.00 WAT1 ATOM 4407 H1 TIP3 667 2.630 -31.460 -26.150 1.00 0.00 WAT1 ATOM 4408 H2 TIP3 667 2.789 -32.215 -24.828 1.00 0.00 WAT1 ATOM 4409 OH2 TIP3 668 15.299 -40.774 -14.003 1.00 0.00 WAT1 ATOM 4410 H1 TIP3 668 14.969 -41.655 -14.263 1.00 0.00 WAT1 ATOM 4411 H2 TIP3 668 15.618 -40.902 -13.089 1.00 0.00 WAT1 ATOM 4412 OH2 TIP3 669 11.216 -42.788 -16.072 1.00 0.00 WAT1 ATOM 4413 H1 TIP3 669 10.404 -43.164 -15.642 1.00 0.00 WAT1 ATOM 4414 H2 TIP3 669 11.188 -41.847 -15.843 1.00 0.00 WAT1 ATOM 4415 OH2 TIP3 670 2.005 -40.929 -23.969 1.00 0.00 WAT1 ATOM 4416 H1 TIP3 670 2.052 -41.618 -23.273 1.00 0.00 WAT1 ATOM 4417 H2 TIP3 670 2.595 -41.272 -24.676 1.00 0.00 WAT1 ATOM 4418 OH2 TIP3 671 7.322 -41.543 -17.404 1.00 0.00 WAT1 ATOM 4419 H1 TIP3 671 6.905 -42.180 -16.769 1.00 0.00 WAT1 ATOM 4420 H2 TIP3 671 8.159 -41.990 -17.677 1.00 0.00 WAT1 ATOM 4421 OH2 TIP3 672 0.235 -44.806 -21.820 1.00 0.00 WAT1 ATOM 4422 H1 TIP3 672 -0.537 -44.231 -21.653 1.00 0.00 WAT1 ATOM 4423 H2 TIP3 672 -0.033 -45.672 -21.464 1.00 0.00 WAT1 ATOM 4424 OH2 TIP3 673 10.933 -36.869 -15.860 1.00 0.00 WAT1 ATOM 4425 H1 TIP3 673 10.276 -36.462 -15.248 1.00 0.00 WAT1 ATOM 4426 H2 TIP3 673 11.797 -36.691 -15.434 1.00 0.00 WAT1 ATOM 4427 OH2 TIP3 674 6.055 -44.673 -21.689 1.00 0.00 WAT1 ATOM 4428 H1 TIP3 674 5.675 -45.314 -21.055 1.00 0.00 WAT1 ATOM 4429 H2 TIP3 674 6.235 -43.881 -21.149 1.00 0.00 WAT1 ATOM 4430 OH2 TIP3 675 2.379 -43.092 -22.297 1.00 0.00 WAT1 ATOM 4431 H1 TIP3 675 1.611 -43.678 -22.110 1.00 0.00 WAT1 ATOM 4432 H2 TIP3 675 2.958 -43.635 -22.878 1.00 0.00 WAT1 ATOM 4433 OH2 TIP3 676 3.978 -42.376 -25.224 1.00 0.00 WAT1 ATOM 4434 H1 TIP3 676 4.029 -43.308 -24.941 1.00 0.00 WAT1 ATOM 4435 H2 TIP3 676 4.643 -41.921 -24.665 1.00 0.00 WAT1 ATOM 4436 OH2 TIP3 677 9.323 -45.147 -19.942 1.00 0.00 WAT1 ATOM 4437 H1 TIP3 677 8.471 -45.160 -19.459 1.00 0.00 WAT1 ATOM 4438 H2 TIP3 677 9.151 -45.684 -20.737 1.00 0.00 WAT1 ATOM 4439 OH2 TIP3 678 9.789 -29.022 -14.792 1.00 0.00 WAT1 ATOM 4440 H1 TIP3 678 10.073 -28.731 -13.903 1.00 0.00 WAT1 ATOM 4441 H2 TIP3 678 9.547 -29.972 -14.670 1.00 0.00 WAT1 ATOM 4442 OH2 TIP3 679 6.186 -42.760 -19.636 1.00 0.00 WAT1 ATOM 4443 H1 TIP3 679 6.564 -42.093 -19.025 1.00 0.00 WAT1 ATOM 4444 H2 TIP3 679 6.502 -43.618 -19.270 1.00 0.00 WAT1 ATOM 4445 OH2 TIP3 680 0.953 -47.982 -22.779 1.00 0.00 WAT1 ATOM 4446 H1 TIP3 680 0.921 -47.245 -23.403 1.00 0.00 WAT1 ATOM 4447 H2 TIP3 680 0.284 -47.750 -22.101 1.00 0.00 WAT1 ATOM 4448 OH2 TIP3 681 4.661 -34.973 -17.814 1.00 0.00 WAT1 ATOM 4449 H1 TIP3 681 5.122 -34.187 -17.435 1.00 0.00 WAT1 ATOM 4450 H2 TIP3 681 3.846 -35.029 -17.307 1.00 0.00 WAT1 ATOM 4451 OH2 TIP3 682 2.824 -39.127 -20.265 1.00 0.00 WAT1 ATOM 4452 H1 TIP3 682 3.499 -38.416 -20.265 1.00 0.00 WAT1 ATOM 4453 H2 TIP3 682 3.324 -39.932 -20.543 1.00 0.00 WAT1 ATOM 4454 OH2 TIP3 683 9.018 -35.529 -14.473 1.00 0.00 WAT1 ATOM 4455 H1 TIP3 683 8.711 -34.799 -15.038 1.00 0.00 WAT1 ATOM 4456 H2 TIP3 683 9.040 -35.140 -13.571 1.00 0.00 WAT1 ATOM 4457 OH2 TIP3 684 13.052 -40.305 -17.065 1.00 0.00 WAT1 ATOM 4458 H1 TIP3 684 12.925 -41.227 -17.301 1.00 0.00 WAT1 ATOM 4459 H2 TIP3 684 12.155 -39.909 -17.149 1.00 0.00 WAT1 ATOM 4460 OH2 TIP3 685 1.698 -35.806 -25.687 1.00 0.00 WAT1 ATOM 4461 H1 TIP3 685 1.670 -36.623 -25.142 1.00 0.00 WAT1 ATOM 4462 H2 TIP3 685 1.708 -36.128 -26.592 1.00 0.00 WAT1 ATOM 4463 OH2 TIP3 686 5.799 -32.877 -16.412 1.00 0.00 WAT1 ATOM 4464 H1 TIP3 686 5.650 -32.204 -15.704 1.00 0.00 WAT1 ATOM 4465 H2 TIP3 686 6.739 -33.136 -16.301 1.00 0.00 WAT1 ATOM 4466 OH2 TIP3 687 8.679 -36.211 -17.540 1.00 0.00 WAT1 ATOM 4467 H1 TIP3 687 9.581 -36.327 -17.179 1.00 0.00 WAT1 ATOM 4468 H2 TIP3 687 8.246 -37.075 -17.373 1.00 0.00 WAT1 ATOM 4469 OH2 TIP3 688 6.946 -45.174 -18.636 1.00 0.00 WAT1 ATOM 4470 H1 TIP3 688 6.248 -45.820 -18.881 1.00 0.00 WAT1 ATOM 4471 H2 TIP3 688 6.979 -45.216 -17.649 1.00 0.00 WAT1 ATOM 4472 OH2 TIP3 689 4.127 -44.688 -23.657 1.00 0.00 WAT1 ATOM 4473 H1 TIP3 689 3.819 -45.589 -23.420 1.00 0.00 WAT1 ATOM 4474 H2 TIP3 689 4.954 -44.580 -23.144 1.00 0.00 WAT1 ATOM 4475 OH2 TIP3 690 3.641 -47.112 -22.511 1.00 0.00 WAT1 ATOM 4476 H1 TIP3 690 2.885 -47.719 -22.584 1.00 0.00 WAT1 ATOM 4477 H2 TIP3 690 4.426 -47.689 -22.619 1.00 0.00 WAT1 ATOM 4478 OH2 TIP3 691 14.973 -43.485 -14.564 1.00 0.00 WAT1 ATOM 4479 H1 TIP3 691 15.084 -43.877 -13.665 1.00 0.00 WAT1 ATOM 4480 H2 TIP3 691 14.295 -44.049 -14.989 1.00 0.00 WAT1 ATOM 4481 OH2 TIP3 692 9.222 -34.205 -12.125 1.00 0.00 WAT1 ATOM 4482 H1 TIP3 692 10.073 -33.727 -12.123 1.00 0.00 WAT1 ATOM 4483 H2 TIP3 692 9.262 -34.774 -11.319 1.00 0.00 WAT1 ATOM 4484 OH2 TIP3 693 10.590 -32.406 -17.450 1.00 0.00 WAT1 ATOM 4485 H1 TIP3 693 11.442 -32.761 -17.720 1.00 0.00 WAT1 ATOM 4486 H2 TIP3 693 10.757 -31.441 -17.335 1.00 0.00 WAT1 ATOM 4487 OH2 TIP3 694 11.277 -36.472 -8.163 1.00 0.00 WAT1 ATOM 4488 H1 TIP3 694 11.885 -35.957 -8.731 1.00 0.00 WAT1 ATOM 4489 H2 TIP3 694 11.638 -37.385 -8.202 1.00 0.00 WAT1 ATOM 4490 OH2 TIP3 695 13.335 -36.338 -14.422 1.00 0.00 WAT1 ATOM 4491 H1 TIP3 695 13.797 -37.059 -14.917 1.00 0.00 WAT1 ATOM 4492 H2 TIP3 695 13.598 -36.486 -13.497 1.00 0.00 WAT1 ATOM 4493 OH2 TIP3 696 8.901 -43.681 -15.002 1.00 0.00 WAT1 ATOM 4494 H1 TIP3 696 8.164 -43.055 -14.930 1.00 0.00 WAT1 ATOM 4495 H2 TIP3 696 8.462 -44.525 -15.241 1.00 0.00 WAT1 ATOM 4496 OH2 TIP3 697 -1.148 -34.019 -20.954 1.00 0.00 WAT1 ATOM 4497 H1 TIP3 697 -0.480 -33.337 -21.162 1.00 0.00 WAT1 ATOM 4498 H2 TIP3 697 -1.822 -33.539 -20.442 1.00 0.00 WAT1 ATOM 4499 OH2 TIP3 698 17.346 -36.662 -10.489 1.00 0.00 WAT1 ATOM 4500 H1 TIP3 698 18.293 -36.427 -10.448 1.00 0.00 WAT1 ATOM 4501 H2 TIP3 698 17.294 -37.511 -10.000 1.00 0.00 WAT1 ATOM 4502 OH2 TIP3 699 1.116 -37.258 -19.288 1.00 0.00 WAT1 ATOM 4503 H1 TIP3 699 1.717 -37.906 -19.722 1.00 0.00 WAT1 ATOM 4504 H2 TIP3 699 0.991 -37.618 -18.385 1.00 0.00 WAT1 ATOM 4505 OH2 TIP3 700 14.485 -38.576 -15.441 1.00 0.00 WAT1 ATOM 4506 H1 TIP3 700 14.853 -39.247 -14.828 1.00 0.00 WAT1 ATOM 4507 H2 TIP3 700 14.036 -39.108 -16.130 1.00 0.00 WAT1 ATOM 4508 OH2 TIP3 701 21.197 -44.395 -17.680 1.00 0.00 WAT1 ATOM 4509 H1 TIP3 701 21.961 -44.659 -17.173 1.00 0.00 WAT1 ATOM 4510 H2 TIP3 701 20.491 -44.284 -17.013 1.00 0.00 WAT1 ATOM 4511 OH2 TIP3 702 17.270 -42.423 -15.493 1.00 0.00 WAT1 ATOM 4512 H1 TIP3 702 16.445 -42.893 -15.225 1.00 0.00 WAT1 ATOM 4513 H2 TIP3 702 16.972 -41.524 -15.694 1.00 0.00 WAT1 ATOM 4514 OH2 TIP3 703 8.988 -31.594 -14.506 1.00 0.00 WAT1 ATOM 4515 H1 TIP3 703 8.708 -32.202 -15.215 1.00 0.00 WAT1 ATOM 4516 H2 TIP3 703 8.290 -31.696 -13.812 1.00 0.00 WAT1 ATOM 4517 OH2 TIP3 704 13.034 -45.848 -12.028 1.00 0.00 WAT1 ATOM 4518 H1 TIP3 704 12.729 -46.352 -12.800 1.00 0.00 WAT1 ATOM 4519 H2 TIP3 704 12.932 -46.478 -11.273 1.00 0.00 WAT1 ATOM 4520 OH2 TIP3 705 5.661 -30.752 -14.676 1.00 0.00 WAT1 ATOM 4521 H1 TIP3 705 6.182 -29.946 -14.853 1.00 0.00 WAT1 ATOM 4522 H2 TIP3 705 5.379 -30.652 -13.749 1.00 0.00 WAT1 ATOM 4523 OH2 TIP3 706 6.249 -30.805 -18.193 1.00 0.00 WAT1 ATOM 4524 H1 TIP3 706 5.968 -31.233 -19.026 1.00 0.00 WAT1 ATOM 4525 H2 TIP3 706 6.139 -31.503 -17.520 1.00 0.00 WAT1 ATOM 4526 OH2 TIP3 707 2.488 -33.797 -23.973 1.00 0.00 WAT1 ATOM 4527 H1 TIP3 707 2.634 -34.414 -23.220 1.00 0.00 WAT1 ATOM 4528 H2 TIP3 707 2.168 -34.381 -24.696 1.00 0.00 WAT1 ATOM 4529 OH2 TIP3 708 5.041 -31.928 -20.397 1.00 0.00 WAT1 ATOM 4530 H1 TIP3 708 4.262 -31.934 -21.001 1.00 0.00 WAT1 ATOM 4531 H2 TIP3 708 5.477 -32.772 -20.567 1.00 0.00 WAT1 ATOM 4532 OH2 TIP3 709 7.992 -46.652 -21.974 1.00 0.00 WAT1 ATOM 4533 H1 TIP3 709 7.410 -45.881 -22.099 1.00 0.00 WAT1 ATOM 4534 H2 TIP3 709 7.404 -47.418 -22.110 1.00 0.00 WAT1 ATOM 4535 OH2 TIP3 710 2.026 -50.535 -22.688 1.00 0.00 WAT1 ATOM 4536 H1 TIP3 710 1.904 -50.692 -21.727 1.00 0.00 WAT1 ATOM 4537 H2 TIP3 710 1.631 -49.649 -22.834 1.00 0.00 WAT1 ATOM 4538 OH2 TIP3 711 4.168 -51.895 -23.797 1.00 0.00 WAT1 ATOM 4539 H1 TIP3 711 3.400 -51.378 -23.464 1.00 0.00 WAT1 ATOM 4540 H2 TIP3 711 4.193 -51.694 -24.754 1.00 0.00 WAT1 ATOM 4541 OH2 TIP3 712 5.880 -49.400 -25.027 1.00 0.00 WAT1 ATOM 4542 H1 TIP3 712 6.752 -49.548 -25.449 1.00 0.00 WAT1 ATOM 4543 H2 TIP3 712 5.258 -49.913 -25.581 1.00 0.00 WAT1 ATOM 4544 OH2 TIP3 713 4.272 -51.117 -26.514 1.00 0.00 WAT1 ATOM 4545 H1 TIP3 713 4.739 -51.426 -27.296 1.00 0.00 WAT1 ATOM 4546 H2 TIP3 713 3.321 -51.299 -26.717 1.00 0.00 WAT1 ATOM 4547 OH2 TIP3 714 17.472 -38.742 -8.682 1.00 0.00 WAT1 ATOM 4548 H1 TIP3 714 18.413 -38.831 -8.425 1.00 0.00 WAT1 ATOM 4549 H2 TIP3 714 17.075 -39.609 -8.438 1.00 0.00 WAT1 ATOM 4550 OH2 TIP3 715 7.954 -33.364 -8.997 1.00 0.00 WAT1 ATOM 4551 H1 TIP3 715 7.212 -32.730 -9.098 1.00 0.00 WAT1 ATOM 4552 H2 TIP3 715 8.742 -32.795 -8.917 1.00 0.00 WAT1 ATOM 4553 OH2 TIP3 716 13.492 -35.628 -9.625 1.00 0.00 WAT1 ATOM 4554 H1 TIP3 716 13.693 -36.015 -10.506 1.00 0.00 WAT1 ATOM 4555 H2 TIP3 716 14.055 -36.134 -9.013 1.00 0.00 WAT1 ATOM 4556 OH2 TIP3 717 14.600 -37.096 -11.716 1.00 0.00 WAT1 ATOM 4557 H1 TIP3 717 14.534 -38.046 -11.488 1.00 0.00 WAT1 ATOM 4558 H2 TIP3 717 15.547 -36.892 -11.607 1.00 0.00 WAT1 ATOM 4559 OH2 TIP3 718 15.260 -37.215 -8.036 1.00 0.00 WAT1 ATOM 4560 H1 TIP3 718 15.756 -36.371 -8.121 1.00 0.00 WAT1 ATOM 4561 H2 TIP3 718 15.932 -37.905 -8.242 1.00 0.00 WAT1 ATOM 4562 OH2 TIP3 719 12.960 -38.580 -8.462 1.00 0.00 WAT1 ATOM 4563 H1 TIP3 719 13.205 -39.010 -9.297 1.00 0.00 WAT1 ATOM 4564 H2 TIP3 719 13.785 -38.135 -8.174 1.00 0.00 WAT1 ATOM 4565 OH2 TIP3 720 7.361 -32.175 -12.444 1.00 0.00 WAT1 ATOM 4566 H1 TIP3 720 7.915 -32.940 -12.181 1.00 0.00 WAT1 ATOM 4567 H2 TIP3 720 6.457 -32.433 -12.180 1.00 0.00 WAT1 ATOM 4568 OH2 TIP3 721 13.340 -33.450 -14.407 1.00 0.00 WAT1 ATOM 4569 H1 TIP3 721 13.380 -34.421 -14.536 1.00 0.00 WAT1 ATOM 4570 H2 TIP3 721 12.490 -33.306 -13.936 1.00 0.00 WAT1 ATOM 4571 OH2 TIP3 722 9.202 -35.622 -9.826 1.00 0.00 WAT1 ATOM 4572 H1 TIP3 722 8.673 -34.911 -9.398 1.00 0.00 WAT1 ATOM 4573 H2 TIP3 722 9.756 -35.976 -9.107 1.00 0.00 WAT1 ATOM 4574 OH2 TIP3 723 14.650 -39.761 -10.597 1.00 0.00 WAT1 ATOM 4575 H1 TIP3 723 14.074 -40.448 -10.204 1.00 0.00 WAT1 ATOM 4576 H2 TIP3 723 15.411 -40.268 -10.950 1.00 0.00 WAT1 ATOM 4577 OH2 TIP3 724 14.577 -39.459 -5.707 1.00 0.00 WAT1 ATOM 4578 H1 TIP3 724 13.706 -39.078 -5.863 1.00 0.00 WAT1 ATOM 4579 H2 TIP3 724 14.765 -39.251 -4.762 1.00 0.00 WAT1 ATOM 4580 OH2 TIP3 725 15.103 -38.760 -3.110 1.00 0.00 WAT1 ATOM 4581 H1 TIP3 725 14.671 -39.271 -2.369 1.00 0.00 WAT1 ATOM 4582 H2 TIP3 725 15.157 -37.852 -2.761 1.00 0.00 WAT1 ATOM 4583 OH2 TIP3 726 15.961 -40.756 -7.704 1.00 0.00 WAT1 ATOM 4584 H1 TIP3 726 15.223 -40.987 -8.291 1.00 0.00 WAT1 ATOM 4585 H2 TIP3 726 15.529 -40.323 -6.935 1.00 0.00 WAT1 ATOM 4586 OH2 TIP3 727 4.944 -29.524 -4.359 1.00 0.00 WAT1 ATOM 4587 H1 TIP3 727 4.860 -30.251 -3.712 1.00 0.00 WAT1 ATOM 4588 H2 TIP3 727 4.397 -29.821 -5.129 1.00 0.00 WAT1 ATOM 4589 OH2 TIP3 728 13.411 -32.917 -10.012 1.00 0.00 WAT1 ATOM 4590 H1 TIP3 728 13.449 -33.882 -9.839 1.00 0.00 WAT1 ATOM 4591 H2 TIP3 728 12.561 -32.645 -9.648 1.00 0.00 WAT1 ATOM 4592 OH2 TIP3 729 17.584 -43.671 16.750 1.00 0.00 WAT1 ATOM 4593 H1 TIP3 729 17.460 -42.706 16.695 1.00 0.00 WAT1 ATOM 4594 H2 TIP3 729 18.188 -43.874 15.997 1.00 0.00 WAT1 ATOM 4595 OH2 TIP3 730 12.499 -43.085 18.403 1.00 0.00 WAT1 ATOM 4596 H1 TIP3 730 12.193 -42.458 17.720 1.00 0.00 WAT1 ATOM 4597 H2 TIP3 730 13.101 -42.556 18.960 1.00 0.00 WAT1 ATOM 4598 OH2 TIP3 731 12.214 -45.726 13.242 1.00 0.00 WAT1 ATOM 4599 H1 TIP3 731 11.986 -44.772 13.168 1.00 0.00 WAT1 ATOM 4600 H2 TIP3 731 12.816 -45.768 14.010 1.00 0.00 WAT1 ATOM 4601 OH2 TIP3 732 16.791 -31.767 21.757 1.00 0.00 WAT1 ATOM 4602 H1 TIP3 732 16.614 -32.730 21.683 1.00 0.00 WAT1 ATOM 4603 H2 TIP3 732 17.608 -31.634 21.235 1.00 0.00 WAT1 ATOM 4604 OH2 TIP3 733 13.400 -41.794 23.848 1.00 0.00 WAT1 ATOM 4605 H1 TIP3 733 13.343 -41.031 23.227 1.00 0.00 WAT1 ATOM 4606 H2 TIP3 733 13.852 -41.430 24.635 1.00 0.00 WAT1 ATOM 4607 OH2 TIP3 734 14.616 -35.559 19.593 1.00 0.00 WAT1 ATOM 4608 H1 TIP3 734 14.342 -36.491 19.617 1.00 0.00 WAT1 ATOM 4609 H2 TIP3 734 13.764 -35.072 19.669 1.00 0.00 WAT1 ATOM 4610 OH2 TIP3 735 11.992 -44.820 16.295 1.00 0.00 WAT1 ATOM 4611 H1 TIP3 735 12.835 -45.204 15.994 1.00 0.00 WAT1 ATOM 4612 H2 TIP3 735 12.211 -44.396 17.148 1.00 0.00 WAT1 ATOM 4613 OH2 TIP3 736 7.941 -30.176 23.657 1.00 0.00 WAT1 ATOM 4614 H1 TIP3 736 7.356 -30.587 24.323 1.00 0.00 WAT1 ATOM 4615 H2 TIP3 736 8.600 -30.871 23.465 1.00 0.00 WAT1 ATOM 4616 OH2 TIP3 737 5.993 -37.928 20.384 1.00 0.00 WAT1 ATOM 4617 H1 TIP3 737 6.771 -38.348 19.978 1.00 0.00 WAT1 ATOM 4618 H2 TIP3 737 5.473 -38.674 20.725 1.00 0.00 WAT1 ATOM 4619 OH2 TIP3 738 15.151 -43.704 23.072 1.00 0.00 WAT1 ATOM 4620 H1 TIP3 738 14.453 -43.054 23.304 1.00 0.00 WAT1 ATOM 4621 H2 TIP3 738 15.944 -43.368 23.526 1.00 0.00 WAT1 ATOM 4622 OH2 TIP3 739 13.449 -39.963 21.824 1.00 0.00 WAT1 ATOM 4623 H1 TIP3 739 12.918 -39.191 21.553 1.00 0.00 WAT1 ATOM 4624 H2 TIP3 739 13.647 -40.429 20.977 1.00 0.00 WAT1 ATOM 4625 OH2 TIP3 740 9.635 -47.040 21.178 1.00 0.00 WAT1 ATOM 4626 H1 TIP3 740 8.839 -47.442 21.580 1.00 0.00 WAT1 ATOM 4627 H2 TIP3 740 9.778 -46.233 21.705 1.00 0.00 WAT1 ATOM 4628 OH2 TIP3 741 11.708 -37.649 22.094 1.00 0.00 WAT1 ATOM 4629 H1 TIP3 741 10.757 -37.832 21.974 1.00 0.00 WAT1 ATOM 4630 H2 TIP3 741 11.907 -36.953 21.411 1.00 0.00 WAT1 ATOM 4631 OH2 TIP3 742 16.059 -39.653 22.568 1.00 0.00 WAT1 ATOM 4632 H1 TIP3 742 15.102 -39.766 22.385 1.00 0.00 WAT1 ATOM 4633 H2 TIP3 742 16.199 -38.702 22.500 1.00 0.00 WAT1 ATOM 4634 OH2 TIP3 743 14.308 -41.381 19.664 1.00 0.00 WAT1 ATOM 4635 H1 TIP3 743 15.009 -42.013 19.941 1.00 0.00 WAT1 ATOM 4636 H2 TIP3 743 14.690 -40.925 18.887 1.00 0.00 WAT1 ATOM 4637 OH2 TIP3 744 12.163 -48.262 23.552 1.00 0.00 WAT1 ATOM 4638 H1 TIP3 744 11.252 -48.427 23.893 1.00 0.00 WAT1 ATOM 4639 H2 TIP3 744 12.242 -47.292 23.538 1.00 0.00 WAT1 ATOM 4640 OH2 TIP3 745 16.086 -43.296 20.472 1.00 0.00 WAT1 ATOM 4641 H1 TIP3 745 15.790 -43.383 21.401 1.00 0.00 WAT1 ATOM 4642 H2 TIP3 745 15.838 -44.160 20.064 1.00 0.00 WAT1 ATOM 4643 OH2 TIP3 746 15.553 -45.749 19.591 1.00 0.00 WAT1 ATOM 4644 H1 TIP3 746 15.666 -46.027 18.657 1.00 0.00 WAT1 ATOM 4645 H2 TIP3 746 14.864 -46.356 19.942 1.00 0.00 WAT1 ATOM 4646 OH2 TIP3 747 14.320 -45.909 15.153 1.00 0.00 WAT1 ATOM 4647 H1 TIP3 747 14.996 -45.989 15.852 1.00 0.00 WAT1 ATOM 4648 H2 TIP3 747 14.835 -45.968 14.317 1.00 0.00 WAT1 ATOM 4649 OH2 TIP3 748 17.560 -47.284 11.013 1.00 0.00 WAT1 ATOM 4650 H1 TIP3 748 17.115 -47.633 10.216 1.00 0.00 WAT1 ATOM 4651 H2 TIP3 748 18.491 -47.159 10.734 1.00 0.00 WAT1 ATOM 4652 OH2 TIP3 749 11.566 -48.115 12.172 1.00 0.00 WAT1 ATOM 4653 H1 TIP3 749 11.788 -47.199 12.475 1.00 0.00 WAT1 ATOM 4654 H2 TIP3 749 12.271 -48.325 11.519 1.00 0.00 WAT1 ATOM 4655 OH2 TIP3 750 13.567 -48.635 10.274 1.00 0.00 WAT1 ATOM 4656 H1 TIP3 750 13.035 -48.969 9.515 1.00 0.00 WAT1 ATOM 4657 H2 TIP3 750 14.402 -48.336 9.867 1.00 0.00 WAT1 ATOM 4658 OH2 TIP3 751 5.367 -44.857 23.185 1.00 0.00 WAT1 ATOM 4659 H1 TIP3 751 5.137 -45.811 23.153 1.00 0.00 WAT1 ATOM 4660 H2 TIP3 751 4.749 -44.443 22.551 1.00 0.00 WAT1 ATOM 4661 OH2 TIP3 752 -0.183 -45.331 28.408 1.00 0.00 WAT1 ATOM 4662 H1 TIP3 752 0.141 -44.400 28.296 1.00 0.00 WAT1 ATOM 4663 H2 TIP3 752 -0.124 -45.486 29.356 1.00 0.00 WAT1 ATOM 4664 OH2 TIP3 753 0.931 -42.894 28.250 1.00 0.00 WAT1 ATOM 4665 H1 TIP3 753 1.833 -42.701 28.547 1.00 0.00 WAT1 ATOM 4666 H2 TIP3 753 0.581 -42.031 27.963 1.00 0.00 WAT1 ATOM 4667 OH2 TIP3 754 -1.797 -37.440 24.208 1.00 0.00 WAT1 ATOM 4668 H1 TIP3 754 -2.234 -38.132 24.747 1.00 0.00 WAT1 ATOM 4669 H2 TIP3 754 -1.561 -36.746 24.855 1.00 0.00 WAT1 ATOM 4670 OH2 TIP3 755 8.599 -37.755 24.685 1.00 0.00 WAT1 ATOM 4671 H1 TIP3 755 7.804 -38.248 24.987 1.00 0.00 WAT1 ATOM 4672 H2 TIP3 755 8.666 -37.975 23.729 1.00 0.00 WAT1 ATOM 4673 OH2 TIP3 756 9.674 -40.986 23.150 1.00 0.00 WAT1 ATOM 4674 H1 TIP3 756 10.231 -40.510 23.801 1.00 0.00 WAT1 ATOM 4675 H2 TIP3 756 8.898 -41.298 23.678 1.00 0.00 WAT1 ATOM 4676 OH2 TIP3 757 3.703 -43.547 29.434 1.00 0.00 WAT1 ATOM 4677 H1 TIP3 757 4.165 -43.830 30.227 1.00 0.00 WAT1 ATOM 4678 H2 TIP3 757 3.714 -42.562 29.485 1.00 0.00 WAT1 ATOM 4679 OH2 TIP3 758 11.176 -39.056 24.523 1.00 0.00 WAT1 ATOM 4680 H1 TIP3 758 11.492 -38.607 23.714 1.00 0.00 WAT1 ATOM 4681 H2 TIP3 758 10.463 -38.478 24.854 1.00 0.00 WAT1 ATOM 4682 OH2 TIP3 759 1.722 -37.317 26.734 1.00 0.00 WAT1 ATOM 4683 H1 TIP3 759 1.965 -36.742 27.467 1.00 0.00 WAT1 ATOM 4684 H2 TIP3 759 2.389 -37.108 26.035 1.00 0.00 WAT1 ATOM 4685 OH2 TIP3 760 14.162 -37.002 23.192 1.00 0.00 WAT1 ATOM 4686 H1 TIP3 760 14.201 -37.566 23.999 1.00 0.00 WAT1 ATOM 4687 H2 TIP3 760 13.330 -37.270 22.755 1.00 0.00 WAT1 ATOM 4688 OH2 TIP3 761 11.821 -30.870 23.720 1.00 0.00 WAT1 ATOM 4689 H1 TIP3 761 11.051 -31.420 23.472 1.00 0.00 WAT1 ATOM 4690 H2 TIP3 761 11.678 -30.680 24.664 1.00 0.00 WAT1 ATOM 4691 OH2 TIP3 762 8.146 -32.462 27.006 1.00 0.00 WAT1 ATOM 4692 H1 TIP3 762 7.516 -32.203 26.296 1.00 0.00 WAT1 ATOM 4693 H2 TIP3 762 7.942 -33.389 27.175 1.00 0.00 WAT1 ATOM 4694 OH2 TIP3 763 15.141 -41.094 25.938 1.00 0.00 WAT1 ATOM 4695 H1 TIP3 763 15.457 -41.347 26.812 1.00 0.00 WAT1 ATOM 4696 H2 TIP3 763 15.872 -41.351 25.332 1.00 0.00 WAT1 ATOM 4697 OH2 TIP3 764 9.259 -45.085 23.408 1.00 0.00 WAT1 ATOM 4698 H1 TIP3 764 10.029 -44.493 23.268 1.00 0.00 WAT1 ATOM 4699 H2 TIP3 764 8.798 -44.696 24.159 1.00 0.00 WAT1 ATOM 4700 OH2 TIP3 765 3.440 -40.864 29.425 1.00 0.00 WAT1 ATOM 4701 H1 TIP3 765 3.377 -40.094 29.995 1.00 0.00 WAT1 ATOM 4702 H2 TIP3 765 3.088 -40.552 28.557 1.00 0.00 WAT1 ATOM 4703 OH2 TIP3 766 -2.343 -46.014 26.881 1.00 0.00 WAT1 ATOM 4704 H1 TIP3 766 -1.578 -45.786 27.457 1.00 0.00 WAT1 ATOM 4705 H2 TIP3 766 -2.125 -46.886 26.530 1.00 0.00 WAT1 ATOM 4706 OH2 TIP3 767 2.557 -41.949 25.144 1.00 0.00 WAT1 ATOM 4707 H1 TIP3 767 3.512 -42.103 24.983 1.00 0.00 WAT1 ATOM 4708 H2 TIP3 767 2.257 -42.768 25.568 1.00 0.00 WAT1 ATOM 4709 OH2 TIP3 768 2.302 -40.040 27.111 1.00 0.00 WAT1 ATOM 4710 H1 TIP3 768 2.055 -39.175 26.734 1.00 0.00 WAT1 ATOM 4711 H2 TIP3 768 2.363 -40.635 26.332 1.00 0.00 WAT1 ATOM 4712 OH2 TIP3 769 6.274 -39.168 25.286 1.00 0.00 WAT1 ATOM 4713 H1 TIP3 769 5.758 -39.107 26.097 1.00 0.00 WAT1 ATOM 4714 H2 TIP3 769 5.598 -39.141 24.569 1.00 0.00 WAT1 ATOM 4715 OH2 TIP3 770 11.264 -43.265 23.050 1.00 0.00 WAT1 ATOM 4716 H1 TIP3 770 12.053 -42.805 23.413 1.00 0.00 WAT1 ATOM 4717 H2 TIP3 770 10.638 -42.538 22.853 1.00 0.00 WAT1 ATOM 4718 OH2 TIP3 771 8.776 -35.083 24.042 1.00 0.00 WAT1 ATOM 4719 H1 TIP3 771 8.700 -35.960 24.483 1.00 0.00 WAT1 ATOM 4720 H2 TIP3 771 9.127 -35.292 23.164 1.00 0.00 WAT1 ATOM 4721 OH2 TIP3 772 9.549 -32.424 23.939 1.00 0.00 WAT1 ATOM 4722 H1 TIP3 772 9.935 -32.205 24.816 1.00 0.00 WAT1 ATOM 4723 H2 TIP3 772 9.329 -33.376 24.005 1.00 0.00 WAT1 ATOM 4724 OH2 TIP3 773 15.498 -30.445 23.823 1.00 0.00 WAT1 ATOM 4725 H1 TIP3 773 15.146 -31.231 24.311 1.00 0.00 WAT1 ATOM 4726 H2 TIP3 773 16.235 -30.807 23.290 1.00 0.00 WAT1 ATOM 4727 OH2 TIP3 774 5.322 -35.655 21.816 1.00 0.00 WAT1 ATOM 4728 H1 TIP3 774 4.362 -35.786 22.006 1.00 0.00 WAT1 ATOM 4729 H2 TIP3 774 5.570 -36.442 21.286 1.00 0.00 WAT1 ATOM 4730 OH2 TIP3 775 3.431 -33.307 23.386 1.00 0.00 WAT1 ATOM 4731 H1 TIP3 775 4.344 -33.557 23.596 1.00 0.00 WAT1 ATOM 4732 H2 TIP3 775 3.021 -34.147 23.073 1.00 0.00 WAT1 ATOM 4733 OH2 TIP3 776 6.234 -31.708 25.199 1.00 0.00 WAT1 ATOM 4734 H1 TIP3 776 5.362 -31.280 25.020 1.00 0.00 WAT1 ATOM 4735 H2 TIP3 776 6.255 -32.472 24.577 1.00 0.00 WAT1 ATOM 4736 OH2 TIP3 777 5.190 -42.958 25.079 1.00 0.00 WAT1 ATOM 4737 H1 TIP3 777 5.335 -43.656 24.400 1.00 0.00 WAT1 ATOM 4738 H2 TIP3 777 4.768 -43.440 25.827 1.00 0.00 WAT1 ATOM 4739 OH2 TIP3 778 3.890 -30.709 24.348 1.00 0.00 WAT1 ATOM 4740 H1 TIP3 778 3.538 -31.502 23.886 1.00 0.00 WAT1 ATOM 4741 H2 TIP3 778 3.084 -30.184 24.572 1.00 0.00 WAT1 ATOM 4742 OH2 TIP3 779 1.137 -43.503 22.221 1.00 0.00 WAT1 ATOM 4743 H1 TIP3 779 0.970 -42.623 22.604 1.00 0.00 WAT1 ATOM 4744 H2 TIP3 779 2.066 -43.460 21.911 1.00 0.00 WAT1 ATOM 4745 OH2 TIP3 780 3.673 -36.792 24.938 1.00 0.00 WAT1 ATOM 4746 H1 TIP3 780 3.314 -36.298 24.162 1.00 0.00 WAT1 ATOM 4747 H2 TIP3 780 4.085 -37.582 24.540 1.00 0.00 WAT1 ATOM 4748 OH2 TIP3 781 -1.122 -35.375 26.000 1.00 0.00 WAT1 ATOM 4749 H1 TIP3 781 -0.190 -35.432 26.251 1.00 0.00 WAT1 ATOM 4750 H2 TIP3 781 -1.256 -34.421 25.791 1.00 0.00 WAT1 ATOM 4751 OH2 TIP3 782 6.321 -33.866 23.539 1.00 0.00 WAT1 ATOM 4752 H1 TIP3 782 5.975 -34.506 22.866 1.00 0.00 WAT1 ATOM 4753 H2 TIP3 782 7.182 -34.248 23.803 1.00 0.00 WAT1 ATOM 4754 OH2 TIP3 783 13.561 -34.428 22.653 1.00 0.00 WAT1 ATOM 4755 H1 TIP3 783 12.955 -34.611 21.888 1.00 0.00 WAT1 ATOM 4756 H2 TIP3 783 13.815 -35.323 22.969 1.00 0.00 WAT1 ATOM 4757 OH2 TIP3 784 9.056 -38.531 22.140 1.00 0.00 WAT1 ATOM 4758 H1 TIP3 784 9.240 -39.474 22.360 1.00 0.00 WAT1 ATOM 4759 H2 TIP3 784 8.600 -38.574 21.276 1.00 0.00 WAT1 ATOM 4760 OH2 TIP3 785 4.308 -38.995 23.401 1.00 0.00 WAT1 ATOM 4761 H1 TIP3 785 3.531 -38.563 22.954 1.00 0.00 WAT1 ATOM 4762 H2 TIP3 785 4.608 -39.663 22.752 1.00 0.00 WAT1 ATOM 4763 OH2 TIP3 786 13.883 -38.745 25.232 1.00 0.00 WAT1 ATOM 4764 H1 TIP3 786 14.353 -39.499 25.636 1.00 0.00 WAT1 ATOM 4765 H2 TIP3 786 12.947 -39.015 25.235 1.00 0.00 WAT1 ATOM 4766 OH2 TIP3 787 5.673 -28.594 23.349 1.00 0.00 WAT1 ATOM 4767 H1 TIP3 787 5.007 -29.254 23.628 1.00 0.00 WAT1 ATOM 4768 H2 TIP3 787 6.521 -29.077 23.395 1.00 0.00 WAT1 ATOM 4769 OH2 TIP3 788 12.972 -45.525 22.802 1.00 0.00 WAT1 ATOM 4770 H1 TIP3 788 13.814 -45.034 22.907 1.00 0.00 WAT1 ATOM 4771 H2 TIP3 788 12.294 -44.824 22.742 1.00 0.00 WAT1 ATOM 4772 OH2 TIP3 789 -4.569 -44.477 27.519 1.00 0.00 WAT1 ATOM 4773 H1 TIP3 789 -4.231 -43.564 27.590 1.00 0.00 WAT1 ATOM 4774 H2 TIP3 789 -3.769 -45.017 27.354 1.00 0.00 WAT1 ATOM 4775 OH2 TIP3 790 0.212 -47.338 22.840 1.00 0.00 WAT1 ATOM 4776 H1 TIP3 790 0.151 -46.453 23.260 1.00 0.00 WAT1 ATOM 4777 H2 TIP3 790 0.302 -47.144 21.883 1.00 0.00 WAT1 ATOM 4778 OH2 TIP3 791 16.995 -41.731 24.018 1.00 0.00 WAT1 ATOM 4779 H1 TIP3 791 17.901 -41.880 23.727 1.00 0.00 WAT1 ATOM 4780 H2 TIP3 791 16.686 -40.970 23.462 1.00 0.00 WAT1 ATOM 4781 OH2 TIP3 792 -1.147 -32.689 25.317 1.00 0.00 WAT1 ATOM 4782 H1 TIP3 792 -0.239 -32.547 25.030 1.00 0.00 WAT1 ATOM 4783 H2 TIP3 792 -1.497 -31.785 25.454 1.00 0.00 WAT1 ATOM 4784 OH2 TIP3 793 1.586 -46.070 26.378 1.00 0.00 WAT1 ATOM 4785 H1 TIP3 793 0.994 -45.929 27.143 1.00 0.00 WAT1 ATOM 4786 H2 TIP3 793 1.108 -45.650 25.625 1.00 0.00 WAT1 ATOM 4787 OH2 TIP3 794 7.515 -41.564 24.655 1.00 0.00 WAT1 ATOM 4788 H1 TIP3 794 7.182 -40.701 24.967 1.00 0.00 WAT1 ATOM 4789 H2 TIP3 794 6.747 -42.165 24.764 1.00 0.00 WAT1 ATOM 4790 OH2 TIP3 795 6.267 -30.847 28.236 1.00 0.00 WAT1 ATOM 4791 H1 TIP3 795 7.095 -31.322 28.029 1.00 0.00 WAT1 ATOM 4792 H2 TIP3 795 6.031 -30.414 27.408 1.00 0.00 WAT1 ATOM 4793 OH2 TIP3 796 1.680 -29.276 25.140 1.00 0.00 WAT1 ATOM 4794 H1 TIP3 796 1.270 -29.481 26.003 1.00 0.00 WAT1 ATOM 4795 H2 TIP3 796 1.388 -28.367 24.947 1.00 0.00 WAT1 ATOM 4796 OH2 TIP3 797 5.470 -25.430 -20.636 1.00 0.00 WAT1 ATOM 4797 H1 TIP3 797 5.943 -24.788 -21.177 1.00 0.00 WAT1 ATOM 4798 H2 TIP3 797 5.528 -26.272 -21.153 1.00 0.00 WAT1 ATOM 4799 OH2 TIP3 798 8.280 -21.954 -20.477 1.00 0.00 WAT1 ATOM 4800 H1 TIP3 798 8.291 -21.572 -21.357 1.00 0.00 WAT1 ATOM 4801 H2 TIP3 798 7.336 -21.895 -20.200 1.00 0.00 WAT1 ATOM 4802 OH2 TIP3 799 4.113 -29.384 -19.606 1.00 0.00 WAT1 ATOM 4803 H1 TIP3 799 4.640 -29.137 -18.828 1.00 0.00 WAT1 ATOM 4804 H2 TIP3 799 4.397 -30.297 -19.806 1.00 0.00 WAT1 ATOM 4805 OH2 TIP3 800 10.452 -19.831 -16.714 1.00 0.00 WAT1 ATOM 4806 H1 TIP3 800 10.171 -20.567 -17.312 1.00 0.00 WAT1 ATOM 4807 H2 TIP3 800 9.616 -19.382 -16.484 1.00 0.00 WAT1 ATOM 4808 OH2 TIP3 801 6.252 -16.915 -15.782 1.00 0.00 WAT1 ATOM 4809 H1 TIP3 801 7.050 -17.488 -15.834 1.00 0.00 WAT1 ATOM 4810 H2 TIP3 801 6.358 -16.437 -14.929 1.00 0.00 WAT1 ATOM 4811 OH2 TIP3 802 0.762 -20.706 -18.929 1.00 0.00 WAT1 ATOM 4812 H1 TIP3 802 0.153 -21.438 -19.200 1.00 0.00 WAT1 ATOM 4813 H2 TIP3 802 0.808 -20.141 -19.708 1.00 0.00 WAT1 ATOM 4814 OH2 TIP3 803 5.537 -27.814 -21.932 1.00 0.00 WAT1 ATOM 4815 H1 TIP3 803 5.816 -28.475 -21.287 1.00 0.00 WAT1 ATOM 4816 H2 TIP3 803 4.978 -28.316 -22.560 1.00 0.00 WAT1 ATOM 4817 OH2 TIP3 804 6.070 -28.240 -17.385 1.00 0.00 WAT1 ATOM 4818 H1 TIP3 804 6.293 -29.157 -17.664 1.00 0.00 WAT1 ATOM 4819 H2 TIP3 804 6.405 -28.185 -16.464 1.00 0.00 WAT1 ATOM 4820 OH2 TIP3 805 10.381 -25.284 -13.347 1.00 0.00 WAT1 ATOM 4821 H1 TIP3 805 9.943 -25.536 -14.167 1.00 0.00 WAT1 ATOM 4822 H2 TIP3 805 10.714 -24.374 -13.520 1.00 0.00 WAT1 ATOM 4823 OH2 TIP3 806 5.665 -21.712 -19.763 1.00 0.00 WAT1 ATOM 4824 H1 TIP3 806 5.453 -20.843 -19.361 1.00 0.00 WAT1 ATOM 4825 H2 TIP3 806 4.963 -22.295 -19.445 1.00 0.00 WAT1 ATOM 4826 OH2 TIP3 807 3.830 -23.113 -15.704 1.00 0.00 WAT1 ATOM 4827 H1 TIP3 807 3.579 -22.589 -16.500 1.00 0.00 WAT1 ATOM 4828 H2 TIP3 807 4.800 -23.174 -15.758 1.00 0.00 WAT1 ATOM 4829 OH2 TIP3 808 9.582 -22.001 -18.063 1.00 0.00 WAT1 ATOM 4830 H1 TIP3 808 9.376 -22.925 -17.825 1.00 0.00 WAT1 ATOM 4831 H2 TIP3 808 9.206 -21.901 -18.967 1.00 0.00 WAT1 ATOM 4832 OH2 TIP3 809 4.576 -20.739 -13.342 1.00 0.00 WAT1 ATOM 4833 H1 TIP3 809 4.865 -20.972 -12.448 1.00 0.00 WAT1 ATOM 4834 H2 TIP3 809 3.660 -21.105 -13.399 1.00 0.00 WAT1 ATOM 4835 OH2 TIP3 810 8.743 -24.592 -17.555 1.00 0.00 WAT1 ATOM 4836 H1 TIP3 810 7.866 -24.984 -17.780 1.00 0.00 WAT1 ATOM 4837 H2 TIP3 810 9.378 -25.259 -17.838 1.00 0.00 WAT1 ATOM 4838 OH2 TIP3 811 8.151 -18.826 -15.466 1.00 0.00 WAT1 ATOM 4839 H1 TIP3 811 8.684 -18.552 -14.689 1.00 0.00 WAT1 ATOM 4840 H2 TIP3 811 7.827 -19.722 -15.231 1.00 0.00 WAT1 ATOM 4841 OH2 TIP3 812 0.498 -19.775 -16.358 1.00 0.00 WAT1 ATOM 4842 H1 TIP3 812 1.136 -19.037 -16.411 1.00 0.00 WAT1 ATOM 4843 H2 TIP3 812 0.499 -20.154 -17.263 1.00 0.00 WAT1 ATOM 4844 OH2 TIP3 813 1.432 -25.634 -17.753 1.00 0.00 WAT1 ATOM 4845 H1 TIP3 813 1.881 -25.434 -18.609 1.00 0.00 WAT1 ATOM 4846 H2 TIP3 813 1.792 -26.490 -17.496 1.00 0.00 WAT1 ATOM 4847 OH2 TIP3 814 7.150 -28.337 -14.878 1.00 0.00 WAT1 ATOM 4848 H1 TIP3 814 8.090 -28.547 -15.068 1.00 0.00 WAT1 ATOM 4849 H2 TIP3 814 7.158 -28.053 -13.942 1.00 0.00 WAT1 ATOM 4850 OH2 TIP3 815 6.599 -23.442 -16.194 1.00 0.00 WAT1 ATOM 4851 H1 TIP3 815 7.536 -23.492 -16.459 1.00 0.00 WAT1 ATOM 4852 H2 TIP3 815 6.172 -24.152 -16.716 1.00 0.00 WAT1 ATOM 4853 OH2 TIP3 816 2.461 -28.001 -21.277 1.00 0.00 WAT1 ATOM 4854 H1 TIP3 816 3.016 -28.467 -20.612 1.00 0.00 WAT1 ATOM 4855 H2 TIP3 816 2.724 -28.404 -22.127 1.00 0.00 WAT1 ATOM 4856 OH2 TIP3 817 6.585 -16.079 -13.194 1.00 0.00 WAT1 ATOM 4857 H1 TIP3 817 6.169 -16.887 -12.808 1.00 0.00 WAT1 ATOM 4858 H2 TIP3 817 7.449 -16.014 -12.734 1.00 0.00 WAT1 ATOM 4859 OH2 TIP3 818 1.998 -21.776 -12.887 1.00 0.00 WAT1 ATOM 4860 H1 TIP3 818 1.278 -21.621 -13.530 1.00 0.00 WAT1 ATOM 4861 H2 TIP3 818 1.542 -22.120 -12.102 1.00 0.00 WAT1 ATOM 4862 OH2 TIP3 819 9.400 -20.883 -12.949 1.00 0.00 WAT1 ATOM 4863 H1 TIP3 819 8.599 -21.107 -13.462 1.00 0.00 WAT1 ATOM 4864 H2 TIP3 819 9.998 -21.640 -13.096 1.00 0.00 WAT1 ATOM 4865 OH2 TIP3 820 2.548 -17.938 -16.331 1.00 0.00 WAT1 ATOM 4866 H1 TIP3 820 2.931 -17.290 -16.951 1.00 0.00 WAT1 ATOM 4867 H2 TIP3 820 3.293 -18.552 -16.142 1.00 0.00 WAT1 ATOM 4868 OH2 TIP3 821 3.169 -21.671 -17.942 1.00 0.00 WAT1 ATOM 4869 H1 TIP3 821 2.265 -21.480 -18.264 1.00 0.00 WAT1 ATOM 4870 H2 TIP3 821 3.666 -20.851 -18.129 1.00 0.00 WAT1 ATOM 4871 OH2 TIP3 822 11.978 -18.407 -14.885 1.00 0.00 WAT1 ATOM 4872 H1 TIP3 822 11.516 -18.604 -15.723 1.00 0.00 WAT1 ATOM 4873 H2 TIP3 822 12.528 -19.187 -14.732 1.00 0.00 WAT1 ATOM 4874 OH2 TIP3 823 6.230 -25.580 -17.993 1.00 0.00 WAT1 ATOM 4875 H1 TIP3 823 6.103 -26.536 -17.791 1.00 0.00 WAT1 ATOM 4876 H2 TIP3 823 5.908 -25.488 -18.916 1.00 0.00 WAT1 ATOM 4877 OH2 TIP3 824 4.789 -19.485 -18.419 1.00 0.00 WAT1 ATOM 4878 H1 TIP3 824 4.660 -18.534 -18.589 1.00 0.00 WAT1 ATOM 4879 H2 TIP3 824 4.956 -19.532 -17.452 1.00 0.00 WAT1 ATOM 4880 OH2 TIP3 825 7.873 -28.012 -12.195 1.00 0.00 WAT1 ATOM 4881 H1 TIP3 825 8.851 -27.952 -12.146 1.00 0.00 WAT1 ATOM 4882 H2 TIP3 825 7.675 -28.906 -11.884 1.00 0.00 WAT1 ATOM 4883 OH2 TIP3 826 12.452 -21.203 -15.439 1.00 0.00 WAT1 ATOM 4884 H1 TIP3 826 13.104 -21.388 -16.124 1.00 0.00 WAT1 ATOM 4885 H2 TIP3 826 11.706 -20.781 -15.924 1.00 0.00 WAT1 ATOM 4886 OH2 TIP3 827 10.656 -28.094 -12.329 1.00 0.00 WAT1 ATOM 4887 H1 TIP3 827 11.028 -27.209 -12.481 1.00 0.00 WAT1 ATOM 4888 H2 TIP3 827 11.432 -28.700 -12.402 1.00 0.00 WAT1 ATOM 4889 OH2 TIP3 828 12.577 -29.945 -13.001 1.00 0.00 WAT1 ATOM 4890 H1 TIP3 828 13.285 -30.432 -12.521 1.00 0.00 WAT1 ATOM 4891 H2 TIP3 828 12.820 -30.046 -13.943 1.00 0.00 WAT1 ATOM 4892 OH2 TIP3 829 -2.831 -26.258 -16.528 1.00 0.00 WAT1 ATOM 4893 H1 TIP3 829 -2.354 -25.526 -16.961 1.00 0.00 WAT1 ATOM 4894 H2 TIP3 829 -2.512 -27.061 -16.997 1.00 0.00 WAT1 ATOM 4895 OH2 TIP3 830 2.768 -25.550 -20.142 1.00 0.00 WAT1 ATOM 4896 H1 TIP3 830 2.611 -26.430 -20.561 1.00 0.00 WAT1 ATOM 4897 H2 TIP3 830 3.733 -25.403 -20.250 1.00 0.00 WAT1 ATOM 4898 OH2 TIP3 831 -1.663 -28.476 -17.546 1.00 0.00 WAT1 ATOM 4899 H1 TIP3 831 -2.107 -29.297 -17.248 1.00 0.00 WAT1 ATOM 4900 H2 TIP3 831 -0.907 -28.785 -18.049 1.00 0.00 WAT1 ATOM 4901 OH2 TIP3 832 4.770 -19.338 -15.718 1.00 0.00 WAT1 ATOM 4902 H1 TIP3 832 4.709 -19.902 -14.920 1.00 0.00 WAT1 ATOM 4903 H2 TIP3 832 5.406 -18.639 -15.472 1.00 0.00 WAT1 ATOM 4904 OH2 TIP3 833 3.734 -29.590 -23.175 1.00 0.00 WAT1 ATOM 4905 H1 TIP3 833 3.514 -30.339 -22.586 1.00 0.00 WAT1 ATOM 4906 H2 TIP3 833 3.565 -29.942 -24.073 1.00 0.00 WAT1 ATOM 4907 OH2 TIP3 834 11.175 -32.421 -13.097 1.00 0.00 WAT1 ATOM 4908 H1 TIP3 834 11.568 -31.556 -12.879 1.00 0.00 WAT1 ATOM 4909 H2 TIP3 834 10.376 -32.194 -13.621 1.00 0.00 WAT1 ATOM 4910 OH2 TIP3 835 9.710 -20.547 -5.634 1.00 0.00 WAT1 ATOM 4911 H1 TIP3 835 9.802 -19.895 -6.361 1.00 0.00 WAT1 ATOM 4912 H2 TIP3 835 9.069 -21.190 -5.975 1.00 0.00 WAT1 ATOM 4913 OH2 TIP3 836 11.751 -19.277 -4.242 1.00 0.00 WAT1 ATOM 4914 H1 TIP3 836 11.082 -19.887 -4.630 1.00 0.00 WAT1 ATOM 4915 H2 TIP3 836 11.312 -18.922 -3.441 1.00 0.00 WAT1 ATOM 4916 OH2 TIP3 837 6.999 -17.355 1.122 1.00 0.00 WAT1 ATOM 4917 H1 TIP3 837 7.226 -18.310 1.186 1.00 0.00 WAT1 ATOM 4918 H2 TIP3 837 7.787 -16.953 0.729 1.00 0.00 WAT1 ATOM 4919 OH2 TIP3 838 8.926 -20.787 -9.244 1.00 0.00 WAT1 ATOM 4920 H1 TIP3 838 9.330 -20.056 -8.720 1.00 0.00 WAT1 ATOM 4921 H2 TIP3 838 9.592 -20.996 -9.913 1.00 0.00 WAT1 ATOM 4922 OH2 TIP3 839 10.191 -18.060 -2.183 1.00 0.00 WAT1 ATOM 4923 H1 TIP3 839 10.161 -17.074 -2.130 1.00 0.00 WAT1 ATOM 4924 H2 TIP3 839 9.379 -18.292 -2.645 1.00 0.00 WAT1 ATOM 4925 OH2 TIP3 840 12.335 -17.972 -6.635 1.00 0.00 WAT1 ATOM 4926 H1 TIP3 840 13.171 -17.526 -6.457 1.00 0.00 WAT1 ATOM 4927 H2 TIP3 840 12.094 -18.379 -5.780 1.00 0.00 WAT1 ATOM 4928 OH2 TIP3 841 9.991 -18.763 -7.765 1.00 0.00 WAT1 ATOM 4929 H1 TIP3 841 10.873 -18.423 -7.483 1.00 0.00 WAT1 ATOM 4930 H2 TIP3 841 9.596 -18.012 -8.269 1.00 0.00 WAT1 ATOM 4931 OH2 TIP3 842 10.927 -24.127 -8.020 1.00 0.00 WAT1 ATOM 4932 H1 TIP3 842 11.832 -23.770 -7.955 1.00 0.00 WAT1 ATOM 4933 H2 TIP3 842 10.803 -24.286 -8.981 1.00 0.00 WAT1 ATOM 4934 OH2 TIP3 843 13.607 -23.227 -8.356 1.00 0.00 WAT1 ATOM 4935 H1 TIP3 843 13.742 -22.273 -8.336 1.00 0.00 WAT1 ATOM 4936 H2 TIP3 843 14.410 -23.594 -7.914 1.00 0.00 WAT1 ATOM 4937 OH2 TIP3 844 11.602 -16.657 1.246 1.00 0.00 WAT1 ATOM 4938 H1 TIP3 844 12.226 -16.560 0.503 1.00 0.00 WAT1 ATOM 4939 H2 TIP3 844 11.964 -16.073 1.938 1.00 0.00 WAT1 ATOM 4940 OH2 TIP3 845 13.270 -24.859 -10.550 1.00 0.00 WAT1 ATOM 4941 H1 TIP3 845 13.416 -24.255 -9.792 1.00 0.00 WAT1 ATOM 4942 H2 TIP3 845 13.996 -25.488 -10.494 1.00 0.00 WAT1 ATOM 4943 OH2 TIP3 846 14.409 -31.831 -12.309 1.00 0.00 WAT1 ATOM 4944 H1 TIP3 846 14.278 -32.541 -12.960 1.00 0.00 WAT1 ATOM 4945 H2 TIP3 846 14.154 -32.239 -11.451 1.00 0.00 WAT1 ATOM 4946 OH2 TIP3 847 -1.257 -18.362 -4.960 1.00 0.00 WAT1 ATOM 4947 H1 TIP3 847 -0.560 -18.630 -4.350 1.00 0.00 WAT1 ATOM 4948 H2 TIP3 847 -0.804 -17.783 -5.604 1.00 0.00 WAT1 ATOM 4949 OH2 TIP3 848 16.618 -15.826 1.961 1.00 0.00 WAT1 ATOM 4950 H1 TIP3 848 17.309 -15.188 2.158 1.00 0.00 WAT1 ATOM 4951 H2 TIP3 848 16.072 -15.846 2.769 1.00 0.00 WAT1 ATOM 4952 OH2 TIP3 849 4.352 -18.624 -6.290 1.00 0.00 WAT1 ATOM 4953 H1 TIP3 849 3.391 -18.524 -6.482 1.00 0.00 WAT1 ATOM 4954 H2 TIP3 849 4.749 -17.818 -6.648 1.00 0.00 WAT1 ATOM 4955 OH2 TIP3 850 11.412 -22.774 -13.470 1.00 0.00 WAT1 ATOM 4956 H1 TIP3 850 12.129 -22.797 -12.822 1.00 0.00 WAT1 ATOM 4957 H2 TIP3 850 11.777 -22.243 -14.216 1.00 0.00 WAT1 ATOM 4958 OH2 TIP3 851 6.292 -25.717 -5.737 1.00 0.00 WAT1 ATOM 4959 H1 TIP3 851 6.536 -25.399 -4.847 1.00 0.00 WAT1 ATOM 4960 H2 TIP3 851 5.329 -25.640 -5.760 1.00 0.00 WAT1 ATOM 4961 OH2 TIP3 852 7.150 -28.096 -4.622 1.00 0.00 WAT1 ATOM 4962 H1 TIP3 852 6.853 -27.461 -5.300 1.00 0.00 WAT1 ATOM 4963 H2 TIP3 852 6.363 -28.687 -4.485 1.00 0.00 WAT1 ATOM 4964 OH2 TIP3 853 7.723 -22.272 -7.242 1.00 0.00 WAT1 ATOM 4965 H1 TIP3 853 6.807 -21.909 -7.186 1.00 0.00 WAT1 ATOM 4966 H2 TIP3 853 8.124 -21.789 -7.997 1.00 0.00 WAT1 ATOM 4967 OH2 TIP3 854 10.581 -24.799 -10.669 1.00 0.00 WAT1 ATOM 4968 H1 TIP3 854 10.285 -25.013 -11.578 1.00 0.00 WAT1 ATOM 4969 H2 TIP3 854 11.561 -24.873 -10.715 1.00 0.00 WAT1 ATOM 4970 OH2 TIP3 855 7.375 -25.868 -3.070 1.00 0.00 WAT1 ATOM 4971 H1 TIP3 855 6.978 -25.967 -2.195 1.00 0.00 WAT1 ATOM 4972 H2 TIP3 855 7.315 -26.766 -3.466 1.00 0.00 WAT1 ATOM 4973 OH2 TIP3 856 9.030 -16.049 -11.947 1.00 0.00 WAT1 ATOM 4974 H1 TIP3 856 9.289 -16.880 -12.416 1.00 0.00 WAT1 ATOM 4975 H2 TIP3 856 9.712 -15.415 -12.199 1.00 0.00 WAT1 ATOM 4976 OH2 TIP3 857 9.718 -18.521 0.544 1.00 0.00 WAT1 ATOM 4977 H1 TIP3 857 9.928 -18.496 -0.409 1.00 0.00 WAT1 ATOM 4978 H2 TIP3 857 10.386 -17.923 0.949 1.00 0.00 WAT1 ATOM 4979 OH2 TIP3 858 17.694 -24.132 2.246 1.00 0.00 WAT1 ATOM 4980 H1 TIP3 858 18.510 -24.570 2.567 1.00 0.00 WAT1 ATOM 4981 H2 TIP3 858 17.899 -23.910 1.313 1.00 0.00 WAT1 ATOM 4982 OH2 TIP3 859 5.267 -21.121 -7.095 1.00 0.00 WAT1 ATOM 4983 H1 TIP3 859 5.162 -20.159 -6.975 1.00 0.00 WAT1 ATOM 4984 H2 TIP3 859 4.359 -21.470 -7.020 1.00 0.00 WAT1 ATOM 4985 OH2 TIP3 860 4.555 -14.608 0.431 1.00 0.00 WAT1 ATOM 4986 H1 TIP3 860 4.923 -13.754 0.129 1.00 0.00 WAT1 ATOM 4987 H2 TIP3 860 3.904 -14.841 -0.257 1.00 0.00 WAT1 ATOM 4988 OH2 TIP3 861 8.931 -16.729 -9.262 1.00 0.00 WAT1 ATOM 4989 H1 TIP3 861 9.002 -16.538 -10.221 1.00 0.00 WAT1 ATOM 4990 H2 TIP3 861 8.223 -16.156 -8.960 1.00 0.00 WAT1 ATOM 4991 OH2 TIP3 862 10.782 -13.341 2.767 1.00 0.00 WAT1 ATOM 4992 H1 TIP3 862 11.587 -13.905 2.806 1.00 0.00 WAT1 ATOM 4993 H2 TIP3 862 10.735 -13.063 1.829 1.00 0.00 WAT1 ATOM 4994 OH2 TIP3 863 0.692 -15.678 -0.251 1.00 0.00 WAT1 ATOM 4995 H1 TIP3 863 -0.278 -15.742 -0.418 1.00 0.00 WAT1 ATOM 4996 H2 TIP3 863 1.060 -15.358 -1.092 1.00 0.00 WAT1 ATOM 4997 OH2 TIP3 864 5.484 -18.336 -12.189 1.00 0.00 WAT1 ATOM 4998 H1 TIP3 864 5.960 -18.852 -11.495 1.00 0.00 WAT1 ATOM 4999 H2 TIP3 864 5.095 -19.017 -12.763 1.00 0.00 WAT1 ATOM 5000 OH2 TIP3 865 6.519 -20.238 -10.575 1.00 0.00 WAT1 ATOM 5001 H1 TIP3 865 7.406 -20.233 -10.162 1.00 0.00 WAT1 ATOM 5002 H2 TIP3 865 6.115 -21.063 -10.251 1.00 0.00 WAT1 ATOM 5003 OH2 TIP3 866 4.967 -19.330 -3.718 1.00 0.00 WAT1 ATOM 5004 H1 TIP3 866 4.746 -19.143 -4.657 1.00 0.00 WAT1 ATOM 5005 H2 TIP3 866 5.743 -19.898 -3.769 1.00 0.00 WAT1 ATOM 5006 OH2 TIP3 867 9.750 -15.386 -2.136 1.00 0.00 WAT1 ATOM 5007 H1 TIP3 867 9.015 -14.737 -2.188 1.00 0.00 WAT1 ATOM 5008 H2 TIP3 867 10.539 -14.841 -1.973 1.00 0.00 WAT1 ATOM 5009 OH2 TIP3 868 11.455 -15.419 7.319 1.00 0.00 WAT1 ATOM 5010 H1 TIP3 868 10.667 -15.858 7.711 1.00 0.00 WAT1 ATOM 5011 H2 TIP3 868 11.883 -14.974 8.075 1.00 0.00 WAT1 ATOM 5012 OH2 TIP3 869 7.102 -21.247 -14.574 1.00 0.00 WAT1 ATOM 5013 H1 TIP3 869 6.233 -21.123 -14.149 1.00 0.00 WAT1 ATOM 5014 H2 TIP3 869 6.954 -21.985 -15.208 1.00 0.00 WAT1 ATOM 5015 OH2 TIP3 870 9.767 -18.225 -13.338 1.00 0.00 WAT1 ATOM 5016 H1 TIP3 870 10.637 -18.184 -13.805 1.00 0.00 WAT1 ATOM 5017 H2 TIP3 870 9.704 -19.160 -13.030 1.00 0.00 WAT1 ATOM 5018 OH2 TIP3 871 1.703 -18.774 -6.921 1.00 0.00 WAT1 ATOM 5019 H1 TIP3 871 1.734 -19.152 -7.826 1.00 0.00 WAT1 ATOM 5020 H2 TIP3 871 1.008 -18.079 -6.974 1.00 0.00 WAT1 ATOM 5021 OH2 TIP3 872 1.134 -14.790 -8.331 1.00 0.00 WAT1 ATOM 5022 H1 TIP3 872 1.911 -14.955 -8.921 1.00 0.00 WAT1 ATOM 5023 H2 TIP3 872 1.145 -13.837 -8.190 1.00 0.00 WAT1 ATOM 5024 OH2 TIP3 873 12.985 -17.222 5.991 1.00 0.00 WAT1 ATOM 5025 H1 TIP3 873 12.398 -16.496 6.290 1.00 0.00 WAT1 ATOM 5026 H2 TIP3 873 13.217 -17.691 6.818 1.00 0.00 WAT1 ATOM 5027 OH2 TIP3 874 14.758 -23.536 -4.487 1.00 0.00 WAT1 ATOM 5028 H1 TIP3 874 13.804 -23.658 -4.547 1.00 0.00 WAT1 ATOM 5029 H2 TIP3 874 15.103 -24.429 -4.261 1.00 0.00 WAT1 ATOM 5030 OH2 TIP3 875 16.224 -18.485 2.621 1.00 0.00 WAT1 ATOM 5031 H1 TIP3 875 15.605 -19.088 2.144 1.00 0.00 WAT1 ATOM 5032 H2 TIP3 875 16.338 -17.728 2.016 1.00 0.00 WAT1 ATOM 5033 OH2 TIP3 876 13.548 -16.570 -0.761 1.00 0.00 WAT1 ATOM 5034 H1 TIP3 876 13.604 -17.530 -0.677 1.00 0.00 WAT1 ATOM 5035 H2 TIP3 876 14.168 -16.357 -1.498 1.00 0.00 WAT1 ATOM 5036 OH2 TIP3 877 14.342 -18.354 -4.469 1.00 0.00 WAT1 ATOM 5037 H1 TIP3 877 14.832 -19.154 -4.684 1.00 0.00 WAT1 ATOM 5038 H2 TIP3 877 13.425 -18.670 -4.316 1.00 0.00 WAT1 ATOM 5039 OH2 TIP3 878 11.401 -29.900 -16.834 1.00 0.00 WAT1 ATOM 5040 H1 TIP3 878 12.218 -30.119 -16.345 1.00 0.00 WAT1 ATOM 5041 H2 TIP3 878 10.848 -29.426 -16.180 1.00 0.00 WAT1 ATOM 5042 OH2 TIP3 879 9.148 -24.873 -4.894 1.00 0.00 WAT1 ATOM 5043 H1 TIP3 879 8.657 -25.164 -4.098 1.00 0.00 WAT1 ATOM 5044 H2 TIP3 879 9.488 -24.003 -4.659 1.00 0.00 WAT1 ATOM 5045 OH2 TIP3 880 14.412 -29.121 -5.383 1.00 0.00 WAT1 ATOM 5046 H1 TIP3 880 14.702 -29.651 -6.131 1.00 0.00 WAT1 ATOM 5047 H2 TIP3 880 13.435 -29.145 -5.440 1.00 0.00 WAT1 ATOM 5048 OH2 TIP3 881 13.577 -30.876 -15.404 1.00 0.00 WAT1 ATOM 5049 H1 TIP3 881 14.524 -30.792 -15.560 1.00 0.00 WAT1 ATOM 5050 H2 TIP3 881 13.462 -31.816 -15.133 1.00 0.00 WAT1 ATOM 5051 OH2 TIP3 882 2.947 -14.665 -1.898 1.00 0.00 WAT1 ATOM 5052 H1 TIP3 882 3.163 -15.526 -2.327 1.00 0.00 WAT1 ATOM 5053 H2 TIP3 882 3.477 -14.018 -2.391 1.00 0.00 WAT1 ATOM 5054 OH2 TIP3 883 7.985 -12.319 0.499 1.00 0.00 WAT1 ATOM 5055 H1 TIP3 883 8.038 -11.995 1.426 1.00 0.00 WAT1 ATOM 5056 H2 TIP3 883 8.921 -12.486 0.255 1.00 0.00 WAT1 ATOM 5057 OH2 TIP3 884 3.946 -10.523 1.450 1.00 0.00 WAT1 ATOM 5058 H1 TIP3 884 3.680 -9.580 1.395 1.00 0.00 WAT1 ATOM 5059 H2 TIP3 884 4.232 -10.634 2.375 1.00 0.00 WAT1 ATOM 5060 OH2 TIP3 885 7.743 -13.473 -2.069 1.00 0.00 WAT1 ATOM 5061 H1 TIP3 885 7.765 -13.097 -1.169 1.00 0.00 WAT1 ATOM 5062 H2 TIP3 885 6.877 -13.210 -2.414 1.00 0.00 WAT1 ATOM 5063 OH2 TIP3 886 5.390 -12.050 -0.353 1.00 0.00 WAT1 ATOM 5064 H1 TIP3 886 4.917 -11.420 0.236 1.00 0.00 WAT1 ATOM 5065 H2 TIP3 886 6.315 -12.042 -0.019 1.00 0.00 WAT1 ATOM 5066 OH2 TIP3 887 12.249 -14.247 -1.521 1.00 0.00 WAT1 ATOM 5067 H1 TIP3 887 12.838 -14.028 -2.254 1.00 0.00 WAT1 ATOM 5068 H2 TIP3 887 12.595 -15.103 -1.185 1.00 0.00 WAT1 ATOM 5069 OH2 TIP3 888 3.998 -16.818 -3.129 1.00 0.00 WAT1 ATOM 5070 H1 TIP3 888 4.308 -17.733 -3.279 1.00 0.00 WAT1 ATOM 5071 H2 TIP3 888 4.619 -16.266 -3.654 1.00 0.00 WAT1 ATOM 5072 OH2 TIP3 889 5.691 -15.066 -4.362 1.00 0.00 WAT1 ATOM 5073 H1 TIP3 889 6.643 -14.990 -4.490 1.00 0.00 WAT1 ATOM 5074 H2 TIP3 889 5.440 -14.227 -3.929 1.00 0.00 WAT1 ATOM 5075 OH2 TIP3 890 4.972 -12.782 -2.930 1.00 0.00 WAT1 ATOM 5076 H1 TIP3 890 4.617 -12.027 -3.418 1.00 0.00 WAT1 ATOM 5077 H2 TIP3 890 5.070 -12.447 -2.008 1.00 0.00 WAT1 ATOM 5078 OH2 TIP3 891 16.807 -35.027 -8.255 1.00 0.00 WAT1 ATOM 5079 H1 TIP3 891 16.930 -34.070 -8.337 1.00 0.00 WAT1 ATOM 5080 H2 TIP3 891 17.135 -35.387 -9.108 1.00 0.00 WAT1 ATOM 5081 OH2 TIP3 892 1.886 -20.227 -9.231 1.00 0.00 WAT1 ATOM 5082 H1 TIP3 892 2.275 -19.570 -9.863 1.00 0.00 WAT1 ATOM 5083 H2 TIP3 892 1.733 -21.012 -9.778 1.00 0.00 WAT1 ATOM 5084 OH2 TIP3 893 4.807 -14.275 -12.136 1.00 0.00 WAT1 ATOM 5085 H1 TIP3 893 5.111 -13.435 -12.487 1.00 0.00 WAT1 ATOM 5086 H2 TIP3 893 5.407 -14.937 -12.541 1.00 0.00 WAT1 ATOM 5087 OH2 TIP3 894 10.424 -14.765 12.530 1.00 0.00 WAT1 ATOM 5088 H1 TIP3 894 9.942 -15.358 13.124 1.00 0.00 WAT1 ATOM 5089 H2 TIP3 894 9.977 -13.898 12.639 1.00 0.00 WAT1 ATOM 5090 OH2 TIP3 895 17.300 -25.774 18.573 1.00 0.00 WAT1 ATOM 5091 H1 TIP3 895 16.393 -25.438 18.698 1.00 0.00 WAT1 ATOM 5092 H2 TIP3 895 17.826 -25.280 19.239 1.00 0.00 WAT1 ATOM 5093 OH2 TIP3 896 10.484 -14.962 20.016 1.00 0.00 WAT1 ATOM 5094 H1 TIP3 896 10.069 -14.333 20.612 1.00 0.00 WAT1 ATOM 5095 H2 TIP3 896 10.240 -14.639 19.118 1.00 0.00 WAT1 ATOM 5096 OH2 TIP3 897 12.663 -16.131 11.106 1.00 0.00 WAT1 ATOM 5097 H1 TIP3 897 12.789 -15.469 10.410 1.00 0.00 WAT1 ATOM 5098 H2 TIP3 897 11.905 -15.795 11.618 1.00 0.00 WAT1 ATOM 5099 OH2 TIP3 898 14.948 -15.378 8.154 1.00 0.00 WAT1 ATOM 5100 H1 TIP3 898 15.704 -15.009 8.624 1.00 0.00 WAT1 ATOM 5101 H2 TIP3 898 14.212 -14.768 8.366 1.00 0.00 WAT1 ATOM 5102 OH2 TIP3 899 12.860 -19.253 18.625 1.00 0.00 WAT1 ATOM 5103 H1 TIP3 899 13.142 -19.683 19.456 1.00 0.00 WAT1 ATOM 5104 H2 TIP3 899 12.628 -18.338 18.902 1.00 0.00 WAT1 ATOM 5105 OH2 TIP3 900 15.176 -21.816 19.629 1.00 0.00 WAT1 ATOM 5106 H1 TIP3 900 14.674 -21.263 20.261 1.00 0.00 WAT1 ATOM 5107 H2 TIP3 900 15.885 -21.221 19.301 1.00 0.00 WAT1 ATOM 5108 OH2 TIP3 901 13.968 -21.408 17.220 1.00 0.00 WAT1 ATOM 5109 H1 TIP3 901 13.559 -20.613 17.622 1.00 0.00 WAT1 ATOM 5110 H2 TIP3 901 14.377 -21.871 17.979 1.00 0.00 WAT1 ATOM 5111 OH2 TIP3 902 2.848 -22.435 12.361 1.00 0.00 WAT1 ATOM 5112 H1 TIP3 902 3.544 -22.884 12.850 1.00 0.00 WAT1 ATOM 5113 H2 TIP3 902 2.097 -22.398 12.994 1.00 0.00 WAT1 ATOM 5114 OH2 TIP3 903 3.343 -19.446 11.572 1.00 0.00 WAT1 ATOM 5115 H1 TIP3 903 2.975 -19.970 12.298 1.00 0.00 WAT1 ATOM 5116 H2 TIP3 903 4.131 -19.035 11.951 1.00 0.00 WAT1 ATOM 5117 OH2 TIP3 904 9.681 -13.932 17.614 1.00 0.00 WAT1 ATOM 5118 H1 TIP3 904 9.076 -14.451 17.075 1.00 0.00 WAT1 ATOM 5119 H2 TIP3 904 9.852 -13.130 17.078 1.00 0.00 WAT1 ATOM 5120 OH2 TIP3 905 5.962 -18.118 15.235 1.00 0.00 WAT1 ATOM 5121 H1 TIP3 905 5.003 -17.925 15.197 1.00 0.00 WAT1 ATOM 5122 H2 TIP3 905 6.138 -18.248 16.174 1.00 0.00 WAT1 ATOM 5123 OH2 TIP3 906 11.065 -11.338 10.983 1.00 0.00 WAT1 ATOM 5124 H1 TIP3 906 10.610 -11.600 11.809 1.00 0.00 WAT1 ATOM 5125 H2 TIP3 906 12.010 -11.474 11.178 1.00 0.00 WAT1 ATOM 5126 OH2 TIP3 907 3.173 -13.961 21.282 1.00 0.00 WAT1 ATOM 5127 H1 TIP3 907 3.719 -14.740 21.532 1.00 0.00 WAT1 ATOM 5128 H2 TIP3 907 2.345 -14.357 20.944 1.00 0.00 WAT1 ATOM 5129 OH2 TIP3 908 13.908 -19.295 4.516 1.00 0.00 WAT1 ATOM 5130 H1 TIP3 908 13.576 -19.327 3.609 1.00 0.00 WAT1 ATOM 5131 H2 TIP3 908 13.303 -18.669 4.971 1.00 0.00 WAT1 ATOM 5132 OH2 TIP3 909 12.428 -16.892 20.040 1.00 0.00 WAT1 ATOM 5133 H1 TIP3 909 11.602 -16.357 20.029 1.00 0.00 WAT1 ATOM 5134 H2 TIP3 909 13.104 -16.270 20.321 1.00 0.00 WAT1 ATOM 5135 OH2 TIP3 910 10.082 -14.108 5.378 1.00 0.00 WAT1 ATOM 5136 H1 TIP3 910 10.580 -13.818 4.589 1.00 0.00 WAT1 ATOM 5137 H2 TIP3 910 10.763 -14.523 5.956 1.00 0.00 WAT1 ATOM 5138 OH2 TIP3 911 11.500 -9.737 6.720 1.00 0.00 WAT1 ATOM 5139 H1 TIP3 911 11.455 -10.549 7.273 1.00 0.00 WAT1 ATOM 5140 H2 TIP3 911 12.403 -9.417 6.842 1.00 0.00 WAT1 ATOM 5141 OH2 TIP3 912 10.923 -11.902 8.363 1.00 0.00 WAT1 ATOM 5142 H1 TIP3 912 10.955 -11.613 9.309 1.00 0.00 WAT1 ATOM 5143 H2 TIP3 912 9.982 -12.038 8.193 1.00 0.00 WAT1 ATOM 5144 OH2 TIP3 913 13.754 -20.022 21.214 1.00 0.00 WAT1 ATOM 5145 H1 TIP3 913 13.281 -19.249 21.552 1.00 0.00 WAT1 ATOM 5146 H2 TIP3 913 14.143 -20.438 22.021 1.00 0.00 WAT1 ATOM 5147 OH2 TIP3 914 13.338 -26.695 19.718 1.00 0.00 WAT1 ATOM 5148 H1 TIP3 914 12.817 -26.721 18.890 1.00 0.00 WAT1 ATOM 5149 H2 TIP3 914 13.857 -25.857 19.650 1.00 0.00 WAT1 ATOM 5150 OH2 TIP3 915 9.359 -23.892 19.134 1.00 0.00 WAT1 ATOM 5151 H1 TIP3 915 9.613 -24.366 19.934 1.00 0.00 WAT1 ATOM 5152 H2 TIP3 915 8.433 -24.170 18.976 1.00 0.00 WAT1 ATOM 5153 OH2 TIP3 916 10.242 -22.183 17.172 1.00 0.00 WAT1 ATOM 5154 H1 TIP3 916 9.899 -22.681 17.953 1.00 0.00 WAT1 ATOM 5155 H2 TIP3 916 11.053 -22.648 16.938 1.00 0.00 WAT1 ATOM 5156 OH2 TIP3 917 16.287 -20.429 16.011 1.00 0.00 WAT1 ATOM 5157 H1 TIP3 917 15.421 -20.815 16.241 1.00 0.00 WAT1 ATOM 5158 H2 TIP3 917 16.643 -20.122 16.870 1.00 0.00 WAT1 ATOM 5159 OH2 TIP3 918 7.977 -19.512 13.982 1.00 0.00 WAT1 ATOM 5160 H1 TIP3 918 7.250 -18.928 14.297 1.00 0.00 WAT1 ATOM 5161 H2 TIP3 918 7.931 -20.293 14.588 1.00 0.00 WAT1 ATOM 5162 OH2 TIP3 919 14.872 -16.441 4.103 1.00 0.00 WAT1 ATOM 5163 H1 TIP3 919 15.217 -17.319 3.849 1.00 0.00 WAT1 ATOM 5164 H2 TIP3 919 14.271 -16.630 4.857 1.00 0.00 WAT1 ATOM 5165 OH2 TIP3 920 13.104 -20.998 14.713 1.00 0.00 WAT1 ATOM 5166 H1 TIP3 920 12.406 -20.423 15.093 1.00 0.00 WAT1 ATOM 5167 H2 TIP3 920 13.507 -21.427 15.499 1.00 0.00 WAT1 ATOM 5168 OH2 TIP3 921 -3.150 -15.675 12.286 1.00 0.00 WAT1 ATOM 5169 H1 TIP3 921 -2.419 -16.257 12.575 1.00 0.00 WAT1 ATOM 5170 H2 TIP3 921 -3.842 -15.817 12.953 1.00 0.00 WAT1 ATOM 5171 OH2 TIP3 922 4.975 -13.513 16.250 1.00 0.00 WAT1 ATOM 5172 H1 TIP3 922 5.021 -12.849 15.538 1.00 0.00 WAT1 ATOM 5173 H2 TIP3 922 5.089 -13.002 17.059 1.00 0.00 WAT1 ATOM 5174 OH2 TIP3 923 5.241 -13.578 5.955 1.00 0.00 WAT1 ATOM 5175 H1 TIP3 923 5.025 -12.912 5.270 1.00 0.00 WAT1 ATOM 5176 H2 TIP3 923 6.208 -13.449 6.113 1.00 0.00 WAT1 ATOM 5177 OH2 TIP3 924 10.281 -17.989 14.304 1.00 0.00 WAT1 ATOM 5178 H1 TIP3 924 10.736 -18.429 15.047 1.00 0.00 WAT1 ATOM 5179 H2 TIP3 924 9.420 -18.442 14.253 1.00 0.00 WAT1 ATOM 5180 OH2 TIP3 925 14.059 -17.943 8.486 1.00 0.00 WAT1 ATOM 5181 H1 TIP3 925 14.438 -17.059 8.273 1.00 0.00 WAT1 ATOM 5182 H2 TIP3 925 14.218 -18.041 9.452 1.00 0.00 WAT1 ATOM 5183 OH2 TIP3 926 2.016 -12.958 23.597 1.00 0.00 WAT1 ATOM 5184 H1 TIP3 926 1.519 -12.304 23.060 1.00 0.00 WAT1 ATOM 5185 H2 TIP3 926 2.664 -13.336 22.968 1.00 0.00 WAT1 ATOM 5186 OH2 TIP3 927 13.063 -14.851 2.784 1.00 0.00 WAT1 ATOM 5187 H1 TIP3 927 13.615 -15.386 3.394 1.00 0.00 WAT1 ATOM 5188 H2 TIP3 927 13.682 -14.565 2.101 1.00 0.00 WAT1 ATOM 5189 OH2 TIP3 928 1.588 -21.222 23.790 1.00 0.00 WAT1 ATOM 5190 H1 TIP3 928 2.395 -21.725 24.013 1.00 0.00 WAT1 ATOM 5191 H2 TIP3 928 0.985 -21.904 23.413 1.00 0.00 WAT1 ATOM 5192 OH2 TIP3 929 7.856 -21.571 15.755 1.00 0.00 WAT1 ATOM 5193 H1 TIP3 929 8.629 -21.794 16.308 1.00 0.00 WAT1 ATOM 5194 H2 TIP3 929 7.085 -21.921 16.268 1.00 0.00 WAT1 ATOM 5195 OH2 TIP3 930 11.261 -19.725 16.322 1.00 0.00 WAT1 ATOM 5196 H1 TIP3 930 11.749 -19.426 17.117 1.00 0.00 WAT1 ATOM 5197 H2 TIP3 930 10.743 -20.497 16.638 1.00 0.00 WAT1 ATOM 5198 OH2 TIP3 931 0.210 -23.495 23.038 1.00 0.00 WAT1 ATOM 5199 H1 TIP3 931 0.230 -24.252 22.419 1.00 0.00 WAT1 ATOM 5200 H2 TIP3 931 -0.130 -23.873 23.868 1.00 0.00 WAT1 ATOM 5201 OH2 TIP3 932 5.664 -23.384 22.663 1.00 0.00 WAT1 ATOM 5202 H1 TIP3 932 5.522 -24.345 22.503 1.00 0.00 WAT1 ATOM 5203 H2 TIP3 932 6.591 -23.324 22.921 1.00 0.00 WAT1 ATOM 5204 OH2 TIP3 933 14.993 -21.181 23.355 1.00 0.00 WAT1 ATOM 5205 H1 TIP3 933 15.916 -20.984 23.544 1.00 0.00 WAT1 ATOM 5206 H2 TIP3 933 14.823 -22.014 23.841 1.00 0.00 WAT1 ATOM 5207 OH2 TIP3 934 6.697 -24.566 18.865 1.00 0.00 WAT1 ATOM 5208 H1 TIP3 934 6.362 -23.773 18.362 1.00 0.00 WAT1 ATOM 5209 H2 TIP3 934 6.327 -24.458 19.751 1.00 0.00 WAT1 ATOM 5210 OH2 TIP3 935 12.423 -28.017 22.029 1.00 0.00 WAT1 ATOM 5211 H1 TIP3 935 12.560 -27.375 21.301 1.00 0.00 WAT1 ATOM 5212 H2 TIP3 935 11.459 -27.939 22.242 1.00 0.00 WAT1 ATOM 5213 OH2 TIP3 936 7.909 -25.977 21.445 1.00 0.00 WAT1 ATOM 5214 H1 TIP3 936 6.985 -26.062 21.748 1.00 0.00 WAT1 ATOM 5215 H2 TIP3 936 7.927 -26.464 20.593 1.00 0.00 WAT1 ATOM 5216 OH2 TIP3 937 16.935 -19.926 18.679 1.00 0.00 WAT1 ATOM 5217 H1 TIP3 937 17.766 -20.304 19.065 1.00 0.00 WAT1 ATOM 5218 H2 TIP3 937 16.890 -19.037 19.044 1.00 0.00 WAT1 ATOM 5219 OH2 TIP3 938 16.070 -24.646 22.383 1.00 0.00 WAT1 ATOM 5220 H1 TIP3 938 15.576 -24.146 23.062 1.00 0.00 WAT1 ATOM 5221 H2 TIP3 938 16.388 -25.438 22.861 1.00 0.00 WAT1 ATOM 5222 OH2 TIP3 939 15.077 -24.566 19.789 1.00 0.00 WAT1 ATOM 5223 H1 TIP3 939 15.057 -23.593 19.649 1.00 0.00 WAT1 ATOM 5224 H2 TIP3 939 15.366 -24.664 20.721 1.00 0.00 WAT1 ATOM 5225 OH2 TIP3 940 14.263 -28.049 24.230 1.00 0.00 WAT1 ATOM 5226 H1 TIP3 940 13.542 -28.021 23.568 1.00 0.00 WAT1 ATOM 5227 H2 TIP3 940 14.627 -28.961 24.156 1.00 0.00 WAT1 ATOM 5228 OH2 TIP3 941 17.673 -27.723 21.835 1.00 0.00 WAT1 ATOM 5229 H1 TIP3 941 18.394 -28.166 21.340 1.00 0.00 WAT1 ATOM 5230 H2 TIP3 941 16.863 -27.999 21.372 1.00 0.00 WAT1 ATOM 5231 OH2 TIP3 942 12.769 -13.580 13.216 1.00 0.00 WAT1 ATOM 5232 H1 TIP3 942 11.936 -14.024 12.948 1.00 0.00 WAT1 ATOM 5233 H2 TIP3 942 12.962 -13.947 14.086 1.00 0.00 WAT1 ATOM 5234 OH2 TIP3 943 0.802 -15.202 20.677 1.00 0.00 WAT1 ATOM 5235 H1 TIP3 943 0.704 -16.106 20.346 1.00 0.00 WAT1 ATOM 5236 H2 TIP3 943 0.486 -15.253 21.610 1.00 0.00 WAT1 ATOM 5237 OH2 TIP3 944 5.092 -9.979 19.506 1.00 0.00 WAT1 ATOM 5238 H1 TIP3 944 5.674 -9.720 18.785 1.00 0.00 WAT1 ATOM 5239 H2 TIP3 944 5.189 -9.256 20.168 1.00 0.00 WAT1 ATOM 5240 OH2 TIP3 945 9.694 -12.127 13.302 1.00 0.00 WAT1 ATOM 5241 H1 TIP3 945 9.944 -12.085 14.247 1.00 0.00 WAT1 ATOM 5242 H2 TIP3 945 9.015 -11.424 13.204 1.00 0.00 WAT1 ATOM 5243 OH2 TIP3 946 2.827 -15.125 15.675 1.00 0.00 WAT1 ATOM 5244 H1 TIP3 946 3.598 -14.557 15.890 1.00 0.00 WAT1 ATOM 5245 H2 TIP3 946 3.197 -16.024 15.628 1.00 0.00 WAT1 ATOM 5246 OH2 TIP3 947 12.868 -13.791 9.125 1.00 0.00 WAT1 ATOM 5247 H1 TIP3 947 12.214 -13.160 8.752 1.00 0.00 WAT1 ATOM 5248 H2 TIP3 947 13.294 -13.286 9.853 1.00 0.00 WAT1 ATOM 5249 OH2 TIP3 948 -0.719 -16.196 25.729 1.00 0.00 WAT1 ATOM 5250 H1 TIP3 948 -0.460 -16.863 26.404 1.00 0.00 WAT1 ATOM 5251 H2 TIP3 948 -0.863 -15.373 26.248 1.00 0.00 WAT1 ATOM 5252 OH2 TIP3 949 4.874 -20.862 21.595 1.00 0.00 WAT1 ATOM 5253 H1 TIP3 949 5.122 -21.731 21.965 1.00 0.00 WAT1 ATOM 5254 H2 TIP3 949 5.169 -20.901 20.680 1.00 0.00 WAT1 ATOM 5255 OH2 TIP3 950 14.151 -32.625 24.607 1.00 0.00 WAT1 ATOM 5256 H1 TIP3 950 13.392 -32.653 25.200 1.00 0.00 WAT1 ATOM 5257 H2 TIP3 950 13.948 -33.303 23.923 1.00 0.00 WAT1 ATOM 5258 OH2 TIP3 951 9.703 -27.881 22.422 1.00 0.00 WAT1 ATOM 5259 H1 TIP3 951 9.107 -27.135 22.207 1.00 0.00 WAT1 ATOM 5260 H2 TIP3 951 9.127 -28.524 22.871 1.00 0.00 WAT1 ATOM 5261 OH2 TIP3 952 5.253 -26.091 22.353 1.00 0.00 WAT1 ATOM 5262 H1 TIP3 952 5.438 -26.995 22.706 1.00 0.00 WAT1 ATOM 5263 H2 TIP3 952 4.290 -25.969 22.512 1.00 0.00 WAT1 ATOM 5264 OH2 TIP3 953 0.428 -30.037 27.529 1.00 0.00 WAT1 ATOM 5265 H1 TIP3 953 1.061 -30.773 27.715 1.00 0.00 WAT1 ATOM 5266 H2 TIP3 953 0.459 -29.482 28.345 1.00 0.00 WAT1 ATOM 5267 OH2 TIP3 954 2.589 -25.675 23.045 1.00 0.00 WAT1 ATOM 5268 H1 TIP3 954 2.081 -26.201 23.700 1.00 0.00 WAT1 ATOM 5269 H2 TIP3 954 1.960 -25.556 22.302 1.00 0.00 WAT1 ATOM 5270 OH2 TIP3 955 13.872 -27.462 26.902 1.00 0.00 WAT1 ATOM 5271 H1 TIP3 955 14.469 -26.720 27.058 1.00 0.00 WAT1 ATOM 5272 H2 TIP3 955 13.995 -27.672 25.954 1.00 0.00 WAT1 ATOM 5273 OH2 TIP3 956 -0.379 -24.353 25.719 1.00 0.00 WAT1 ATOM 5274 H1 TIP3 956 0.540 -24.285 26.059 1.00 0.00 WAT1 ATOM 5275 H2 TIP3 956 -0.832 -23.563 26.105 1.00 0.00 WAT1 ATOM 5276 OH2 TIP3 957 12.134 -29.578 27.568 1.00 0.00 WAT1 ATOM 5277 H1 TIP3 957 12.663 -28.828 27.219 1.00 0.00 WAT1 ATOM 5278 H2 TIP3 957 12.320 -29.576 28.510 1.00 0.00 WAT1 ATOM 5279 OH2 TIP3 958 4.282 -31.747 29.844 1.00 0.00 WAT1 ATOM 5280 H1 TIP3 958 5.038 -31.383 29.328 1.00 0.00 WAT1 ATOM 5281 H2 TIP3 958 4.464 -31.479 30.748 1.00 0.00 WAT1 ATOM 5282 OH2 TIP3 959 0.541 -26.684 24.574 1.00 0.00 WAT1 ATOM 5283 H1 TIP3 959 -0.299 -27.105 24.280 1.00 0.00 WAT1 ATOM 5284 H2 TIP3 959 0.245 -25.923 25.109 1.00 0.00 WAT1 ATOM 5285 OH2 TIP3 960 2.951 -19.042 22.403 1.00 0.00 WAT1 ATOM 5286 H1 TIP3 960 3.660 -19.642 22.086 1.00 0.00 WAT1 ATOM 5287 H2 TIP3 960 2.341 -19.630 22.880 1.00 0.00 WAT1 ATOM 5288 OH2 TIP3 961 2.181 -24.046 26.667 1.00 0.00 WAT1 ATOM 5289 H1 TIP3 961 2.581 -23.417 27.277 1.00 0.00 WAT1 ATOM 5290 H2 TIP3 961 2.642 -23.878 25.815 1.00 0.00 WAT1 ATOM 5291 OH2 TIP3 962 3.374 -23.341 24.261 1.00 0.00 WAT1 ATOM 5292 H1 TIP3 962 2.982 -24.112 23.792 1.00 0.00 WAT1 ATOM 5293 H2 TIP3 962 4.218 -23.184 23.790 1.00 0.00 WAT1 ATOM 5294 OH2 TIP3 963 4.070 -16.460 22.051 1.00 0.00 WAT1 ATOM 5295 H1 TIP3 963 4.917 -16.737 22.409 1.00 0.00 WAT1 ATOM 5296 H2 TIP3 963 3.510 -17.264 22.113 1.00 0.00 WAT1 ATOM 5297 OH2 TIP3 964 14.897 -23.600 24.730 1.00 0.00 WAT1 ATOM 5298 H1 TIP3 964 13.997 -23.845 24.976 1.00 0.00 WAT1 ATOM 5299 H2 TIP3 964 15.459 -24.064 25.390 1.00 0.00 WAT1 ATOM 5300 OH2 TIP3 965 16.221 -25.327 26.445 1.00 0.00 WAT1 ATOM 5301 H1 TIP3 965 16.488 -25.862 25.660 1.00 0.00 WAT1 ATOM 5302 H2 TIP3 965 16.955 -25.427 27.059 1.00 0.00 WAT1 ATOM 5303 OH2 TIP3 966 16.687 -26.746 24.165 1.00 0.00 WAT1 ATOM 5304 H1 TIP3 966 15.852 -27.259 24.232 1.00 0.00 WAT1 ATOM 5305 H2 TIP3 966 17.192 -27.203 23.453 1.00 0.00 WAT1 ATOM 5306 OH2 TIP3 967 -1.716 -29.964 25.834 1.00 0.00 WAT1 ATOM 5307 H1 TIP3 967 -2.508 -29.889 26.403 1.00 0.00 WAT1 ATOM 5308 H2 TIP3 967 -0.960 -29.959 26.468 1.00 0.00 WAT1 ATOM 5309 OH2 TIP3 968 2.447 -31.841 27.803 1.00 0.00 WAT1 ATOM 5310 H1 TIP3 968 3.075 -31.887 27.077 1.00 0.00 WAT1 ATOM 5311 H2 TIP3 968 3.009 -31.857 28.610 1.00 0.00 WAT1 ATOM 5312 OH2 TIP3 969 10.651 -31.462 26.244 1.00 0.00 WAT1 ATOM 5313 H1 TIP3 969 11.129 -30.803 26.802 1.00 0.00 WAT1 ATOM 5314 H2 TIP3 969 9.860 -31.694 26.771 1.00 0.00 WAT1 ATOM 5315 OH2 TIP3 970 0.608 -28.391 29.698 1.00 0.00 WAT1 ATOM 5316 H1 TIP3 970 0.827 -27.524 29.289 1.00 0.00 WAT1 ATOM 5317 H2 TIP3 970 0.882 -28.296 30.612 1.00 0.00 WAT1 ATOM 5318 OH2 TIP3 971 0.977 -10.926 22.085 1.00 0.00 WAT1 ATOM 5319 H1 TIP3 971 1.176 -10.065 22.505 1.00 0.00 WAT1 ATOM 5320 H2 TIP3 971 1.598 -10.969 21.319 1.00 0.00 WAT1 ATOM 5321 OH2 TIP3 972 10.705 -12.599 0.058 1.00 0.00 WAT1 ATOM 5322 H1 TIP3 972 11.228 -13.253 -0.459 1.00 0.00 WAT1 ATOM 5323 H2 TIP3 972 10.939 -11.749 -0.336 1.00 0.00 WAT1 ATOM 5324 OH2 TIP3 973 0.530 -7.806 2.833 1.00 0.00 WAT1 ATOM 5325 H1 TIP3 973 0.681 -8.581 3.414 1.00 0.00 WAT1 ATOM 5326 H2 TIP3 973 -0.441 -7.645 2.898 1.00 0.00 WAT1 ATOM 5327 OH2 TIP3 974 1.469 -2.954 9.434 1.00 0.00 WAT1 ATOM 5328 H1 TIP3 974 1.956 -2.639 8.666 1.00 0.00 WAT1 ATOM 5329 H2 TIP3 974 0.751 -3.508 9.056 1.00 0.00 WAT1 ATOM 5330 OH2 TIP3 975 1.547 -5.734 6.756 1.00 0.00 WAT1 ATOM 5331 H1 TIP3 975 2.390 -5.226 6.803 1.00 0.00 WAT1 ATOM 5332 H2 TIP3 975 1.257 -5.627 5.819 1.00 0.00 WAT1 ATOM 5333 OH2 TIP3 976 3.596 -5.597 4.398 1.00 0.00 WAT1 ATOM 5334 H1 TIP3 976 3.762 -4.897 5.053 1.00 0.00 WAT1 ATOM 5335 H2 TIP3 976 2.658 -5.472 4.148 1.00 0.00 WAT1 ATOM 5336 OH2 TIP3 977 3.169 -7.868 1.926 1.00 0.00 WAT1 ATOM 5337 H1 TIP3 977 2.196 -7.803 2.052 1.00 0.00 WAT1 ATOM 5338 H2 TIP3 977 3.464 -6.948 1.881 1.00 0.00 WAT1 ATOM 5339 OH2 TIP3 978 5.114 -7.439 5.860 1.00 0.00 WAT1 ATOM 5340 H1 TIP3 978 5.416 -6.892 6.615 1.00 0.00 WAT1 ATOM 5341 H2 TIP3 978 4.668 -6.799 5.265 1.00 0.00 WAT1 ATOM 5342 OH2 TIP3 979 5.428 -11.636 3.903 1.00 0.00 WAT1 ATOM 5343 H1 TIP3 979 6.367 -11.417 3.786 1.00 0.00 WAT1 ATOM 5344 H2 TIP3 979 5.006 -10.778 4.123 1.00 0.00 WAT1 ATOM 5345 OH2 TIP3 980 8.284 -2.810 12.601 1.00 0.00 WAT1 ATOM 5346 H1 TIP3 980 7.984 -1.891 12.632 1.00 0.00 WAT1 ATOM 5347 H2 TIP3 980 9.049 -2.831 13.191 1.00 0.00 WAT1 ATOM 5348 OH2 TIP3 981 9.195 -8.451 7.614 1.00 0.00 WAT1 ATOM 5349 H1 TIP3 981 8.496 -9.014 7.251 1.00 0.00 WAT1 ATOM 5350 H2 TIP3 981 10.024 -8.864 7.303 1.00 0.00 WAT1 ATOM 5351 OH2 TIP3 982 1.206 -9.936 4.491 1.00 0.00 WAT1 ATOM 5352 H1 TIP3 982 0.946 -10.832 4.181 1.00 0.00 WAT1 ATOM 5353 H2 TIP3 982 2.182 -9.943 4.452 1.00 0.00 WAT1 ATOM 5354 OH2 TIP3 983 8.563 -11.682 3.106 1.00 0.00 WAT1 ATOM 5355 H1 TIP3 983 8.833 -10.946 3.704 1.00 0.00 WAT1 ATOM 5356 H2 TIP3 983 9.344 -12.274 3.094 1.00 0.00 WAT1 ATOM 5357 OH2 TIP3 984 0.067 -8.275 6.541 1.00 0.00 WAT1 ATOM 5358 H1 TIP3 984 0.413 -8.913 5.887 1.00 0.00 WAT1 ATOM 5359 H2 TIP3 984 0.733 -7.573 6.562 1.00 0.00 WAT1 ATOM 5360 OH2 TIP3 985 2.951 -15.123 -10.297 1.00 0.00 WAT1 ATOM 5361 H1 TIP3 985 2.436 -15.606 -10.971 1.00 0.00 WAT1 ATOM 5362 H2 TIP3 985 3.693 -14.730 -10.805 1.00 0.00 WAT1 ATOM 5363 OH2 TIP3 986 1.782 -15.235 2.151 1.00 0.00 WAT1 ATOM 5364 H1 TIP3 986 2.133 -14.332 2.016 1.00 0.00 WAT1 ATOM 5365 H2 TIP3 986 1.351 -15.451 1.288 1.00 0.00 WAT1 ATOM 5366 OH2 TIP3 987 4.027 -9.304 4.118 1.00 0.00 WAT1 ATOM 5367 H1 TIP3 987 3.750 -8.690 3.403 1.00 0.00 WAT1 ATOM 5368 H2 TIP3 987 4.421 -8.715 4.800 1.00 0.00 WAT1 ATOM 5369 OH2 TIP3 988 9.539 -9.784 4.770 1.00 0.00 WAT1 ATOM 5370 H1 TIP3 988 10.316 -9.868 5.362 1.00 0.00 WAT1 ATOM 5371 H2 TIP3 988 9.446 -8.834 4.639 1.00 0.00 WAT1 ATOM 5372 OH2 TIP3 989 2.622 -1.221 15.486 1.00 0.00 WAT1 ATOM 5373 H1 TIP3 989 2.801 -0.300 15.702 1.00 0.00 WAT1 ATOM 5374 H2 TIP3 989 2.403 -1.627 16.332 1.00 0.00 WAT1 ATOM 5375 OH2 TIP3 990 1.866 -5.187 11.010 1.00 0.00 WAT1 ATOM 5376 H1 TIP3 990 1.830 -4.263 10.683 1.00 0.00 WAT1 ATOM 5377 H2 TIP3 990 2.409 -5.132 11.826 1.00 0.00 WAT1 ATOM 5378 OH2 TIP3 991 6.074 -4.513 12.199 1.00 0.00 WAT1 ATOM 5379 H1 TIP3 991 6.447 -5.142 11.562 1.00 0.00 WAT1 ATOM 5380 H2 TIP3 991 6.841 -3.970 12.473 1.00 0.00 WAT1 ATOM 5381 OH2 TIP3 992 -2.173 -0.931 11.857 1.00 0.00 WAT1 ATOM 5382 H1 TIP3 992 -1.285 -1.372 11.799 1.00 0.00 WAT1 ATOM 5383 H2 TIP3 992 -2.005 -0.143 12.384 1.00 0.00 WAT1 ATOM 5384 OH2 TIP3 993 1.613 -11.418 12.427 1.00 0.00 WAT1 ATOM 5385 H1 TIP3 993 2.320 -11.986 12.105 1.00 0.00 WAT1 ATOM 5386 H2 TIP3 993 1.199 -11.937 13.152 1.00 0.00 WAT1 ATOM 5387 OH2 TIP3 994 4.439 -2.592 10.998 1.00 0.00 WAT1 ATOM 5388 H1 TIP3 994 3.744 -2.394 11.664 1.00 0.00 WAT1 ATOM 5389 H2 TIP3 994 5.004 -3.258 11.434 1.00 0.00 WAT1 ATOM 5390 OH2 TIP3 995 3.537 -5.060 13.221 1.00 0.00 WAT1 ATOM 5391 H1 TIP3 995 3.600 -5.910 13.700 1.00 0.00 WAT1 ATOM 5392 H2 TIP3 995 4.456 -4.887 12.921 1.00 0.00 WAT1 ATOM 5393 OH2 TIP3 996 3.881 -4.353 6.952 1.00 0.00 WAT1 ATOM 5394 H1 TIP3 996 4.533 -4.964 7.362 1.00 0.00 WAT1 ATOM 5395 H2 TIP3 996 4.074 -3.486 7.367 1.00 0.00 WAT1 ATOM 5396 OH2 TIP3 997 9.993 -11.648 16.104 1.00 0.00 WAT1 ATOM 5397 H1 TIP3 997 10.633 -11.038 16.491 1.00 0.00 WAT1 ATOM 5398 H2 TIP3 997 9.149 -11.133 16.090 1.00 0.00 WAT1 ATOM 5399 OH2 TIP3 998 8.507 -4.401 10.339 1.00 0.00 WAT1 ATOM 5400 H1 TIP3 998 8.572 -3.754 11.066 1.00 0.00 WAT1 ATOM 5401 H2 TIP3 998 8.059 -3.910 9.620 1.00 0.00 WAT1 ATOM 5402 OH2 TIP3 999 3.261 -4.987 17.198 1.00 0.00 WAT1 ATOM 5403 H1 TIP3 999 3.521 -5.754 17.738 1.00 0.00 WAT1 ATOM 5404 H2 TIP3 999 3.637 -5.167 16.332 1.00 0.00 WAT1 ATOM 5405 OH2 TIP3 1000 1.993 -9.271 14.128 1.00 0.00 WAT1 ATOM 5406 H1 TIP3 1000 1.425 -9.614 14.857 1.00 0.00 WAT1 ATOM 5407 H2 TIP3 1000 1.892 -9.937 13.415 1.00 0.00 WAT1 ATOM 5408 OH2 TIP3 1001 1.026 -7.392 16.336 1.00 0.00 WAT1 ATOM 5409 H1 TIP3 1001 1.265 -7.300 15.404 1.00 0.00 WAT1 ATOM 5410 H2 TIP3 1001 0.589 -8.278 16.383 1.00 0.00 WAT1 ATOM 5411 OH2 TIP3 1002 7.813 -13.181 6.456 1.00 0.00 WAT1 ATOM 5412 H1 TIP3 1002 8.744 -13.394 6.227 1.00 0.00 WAT1 ATOM 5413 H2 TIP3 1002 7.885 -12.579 7.226 1.00 0.00 WAT1 ATOM 5414 OH2 TIP3 1003 5.132 -11.914 13.941 1.00 0.00 WAT1 ATOM 5415 H1 TIP3 1003 5.368 -12.773 13.567 1.00 0.00 WAT1 ATOM 5416 H2 TIP3 1003 5.144 -11.308 13.170 1.00 0.00 WAT1 ATOM 5417 OH2 TIP3 1004 4.393 -8.520 9.507 1.00 0.00 WAT1 ATOM 5418 H1 TIP3 1004 4.708 -8.072 10.318 1.00 0.00 WAT1 ATOM 5419 H2 TIP3 1004 3.570 -8.038 9.271 1.00 0.00 WAT1 ATOM 5420 OH2 TIP3 1005 5.914 -5.875 8.036 1.00 0.00 WAT1 ATOM 5421 H1 TIP3 1005 6.399 -6.508 8.608 1.00 0.00 WAT1 ATOM 5422 H2 TIP3 1005 6.398 -5.032 8.156 1.00 0.00 WAT1 ATOM 5423 OH2 TIP3 1006 8.083 -7.437 12.179 1.00 0.00 WAT1 ATOM 5424 H1 TIP3 1006 8.063 -7.382 11.192 1.00 0.00 WAT1 ATOM 5425 H2 TIP3 1006 8.803 -6.847 12.433 1.00 0.00 WAT1 ATOM 5426 OH2 TIP3 1007 4.074 -7.580 14.361 1.00 0.00 WAT1 ATOM 5427 H1 TIP3 1007 3.258 -8.123 14.227 1.00 0.00 WAT1 ATOM 5428 H2 TIP3 1007 4.569 -8.069 15.043 1.00 0.00 WAT1 ATOM 5429 OH2 TIP3 1008 7.988 -6.969 9.527 1.00 0.00 WAT1 ATOM 5430 H1 TIP3 1008 8.429 -6.097 9.621 1.00 0.00 WAT1 ATOM 5431 H2 TIP3 1008 8.511 -7.433 8.827 1.00 0.00 WAT1 ATOM 5432 OH2 TIP3 1009 2.576 -2.466 13.071 1.00 0.00 WAT1 ATOM 5433 H1 TIP3 1009 2.584 -1.974 13.925 1.00 0.00 WAT1 ATOM 5434 H2 TIP3 1009 2.781 -3.388 13.325 1.00 0.00 WAT1 ATOM 5435 OH2 TIP3 1010 -0.038 -6.193 20.369 1.00 0.00 WAT1 ATOM 5436 H1 TIP3 1010 -0.794 -5.654 20.642 1.00 0.00 WAT1 ATOM 5437 H2 TIP3 1010 0.198 -5.840 19.483 1.00 0.00 WAT1 ATOM 5438 OH2 TIP3 1011 2.158 -7.019 9.091 1.00 0.00 WAT1 ATOM 5439 H1 TIP3 1011 2.228 -6.264 9.722 1.00 0.00 WAT1 ATOM 5440 H2 TIP3 1011 1.898 -6.599 8.243 1.00 0.00 WAT1 ATOM 5441 OH2 TIP3 1012 7.849 -10.086 12.988 1.00 0.00 WAT1 ATOM 5442 H1 TIP3 1012 8.055 -9.168 12.706 1.00 0.00 WAT1 ATOM 5443 H2 TIP3 1012 7.032 -10.308 12.496 1.00 0.00 WAT1 ATOM 5444 OH2 TIP3 1013 5.352 -7.697 11.952 1.00 0.00 WAT1 ATOM 5445 H1 TIP3 1013 6.291 -7.512 12.162 1.00 0.00 WAT1 ATOM 5446 H2 TIP3 1013 4.879 -7.529 12.796 1.00 0.00 WAT1 ATOM 5447 OH2 TIP3 1014 7.616 -11.471 8.582 1.00 0.00 WAT1 ATOM 5448 H1 TIP3 1014 7.914 -11.090 9.418 1.00 0.00 WAT1 ATOM 5449 H2 TIP3 1014 7.064 -10.755 8.175 1.00 0.00 WAT1 ATOM 5450 OH2 TIP3 1015 6.188 -9.378 7.650 1.00 0.00 WAT1 ATOM 5451 H1 TIP3 1015 5.882 -8.900 6.858 1.00 0.00 WAT1 ATOM 5452 H2 TIP3 1015 5.552 -9.104 8.351 1.00 0.00 WAT1 ATOM 5453 OH2 TIP3 1016 -1.140 -8.332 23.359 1.00 0.00 WAT1 ATOM 5454 H1 TIP3 1016 -1.360 -9.017 24.030 1.00 0.00 WAT1 ATOM 5455 H2 TIP3 1016 -0.171 -8.225 23.440 1.00 0.00 WAT1 ATOM 5456 OH2 TIP3 1017 4.526 -2.047 8.363 1.00 0.00 WAT1 ATOM 5457 H1 TIP3 1017 4.324 -1.106 8.292 1.00 0.00 WAT1 ATOM 5458 H2 TIP3 1017 4.423 -2.243 9.332 1.00 0.00 WAT1 ATOM 5459 OH2 TIP3 1018 4.981 -9.933 15.942 1.00 0.00 WAT1 ATOM 5460 H1 TIP3 1018 4.878 -10.605 15.239 1.00 0.00 WAT1 ATOM 5461 H2 TIP3 1018 4.177 -10.045 16.501 1.00 0.00 WAT1 ATOM 5462 OH2 TIP3 1019 6.983 -3.316 8.288 1.00 0.00 WAT1 ATOM 5463 H1 TIP3 1019 7.431 -2.930 7.524 1.00 0.00 WAT1 ATOM 5464 H2 TIP3 1019 6.150 -2.801 8.363 1.00 0.00 WAT1 ATOM 5465 OH2 TIP3 1020 2.921 -7.623 18.379 1.00 0.00 WAT1 ATOM 5466 H1 TIP3 1020 2.219 -7.456 17.716 1.00 0.00 WAT1 ATOM 5467 H2 TIP3 1020 3.177 -8.552 18.221 1.00 0.00 WAT1 ATOM 5468 OH2 TIP3 1021 2.631 -10.279 17.435 1.00 0.00 WAT1 ATOM 5469 H1 TIP3 1021 1.738 -10.273 17.020 1.00 0.00 WAT1 ATOM 5470 H2 TIP3 1021 2.496 -10.733 18.288 1.00 0.00 WAT1 ATOM 5471 OH2 TIP3 1022 2.358 -7.331 21.056 1.00 0.00 WAT1 ATOM 5472 H1 TIP3 1022 1.518 -6.827 20.981 1.00 0.00 WAT1 ATOM 5473 H2 TIP3 1022 2.637 -7.465 20.121 1.00 0.00 WAT1 ATOM 5474 OH2 TIP3 1023 7.765 -10.164 15.741 1.00 0.00 WAT1 ATOM 5475 H1 TIP3 1023 6.834 -10.005 15.998 1.00 0.00 WAT1 ATOM 5476 H2 TIP3 1023 7.759 -10.083 14.766 1.00 0.00 WAT1 ATOM 5477 OH2 TIP3 1024 -1.467 -8.591 20.653 1.00 0.00 WAT1 ATOM 5478 H1 TIP3 1024 -1.443 -8.467 21.626 1.00 0.00 WAT1 ATOM 5479 H2 TIP3 1024 -0.875 -7.892 20.313 1.00 0.00 WAT1 ATOM 5480 OH2 TIP3 1025 2.853 -11.375 20.155 1.00 0.00 WAT1 ATOM 5481 H1 TIP3 1025 3.706 -10.914 19.968 1.00 0.00 WAT1 ATOM 5482 H2 TIP3 1025 3.125 -12.255 20.491 1.00 0.00 WAT1 ATOM 5483 OH2 TIP3 1026 5.054 -7.885 21.270 1.00 0.00 WAT1 ATOM 5484 H1 TIP3 1026 5.490 -7.166 21.732 1.00 0.00 WAT1 ATOM 5485 H2 TIP3 1026 4.103 -7.654 21.310 1.00 0.00 WAT1 ATOM 5486 OH2 TIP3 1027 0.350 -1.747 11.614 1.00 0.00 WAT1 ATOM 5487 H1 TIP3 1027 0.708 -2.083 10.768 1.00 0.00 WAT1 ATOM 5488 H2 TIP3 1027 1.074 -1.901 12.254 1.00 0.00 WAT1 ATOM 5489 OH2 TIP3 1028 0.596 -5.171 17.867 1.00 0.00 WAT1 ATOM 5490 H1 TIP3 1028 0.566 -5.966 17.289 1.00 0.00 WAT1 ATOM 5491 H2 TIP3 1028 1.500 -4.816 17.732 1.00 0.00 WAT1 ATOM 5492 OH2 TIP3 1029 -4.431 -9.947 24.192 1.00 0.00 WAT1 ATOM 5493 H1 TIP3 1029 -4.763 -10.856 24.353 1.00 0.00 WAT1 ATOM 5494 H2 TIP3 1029 -3.480 -10.000 24.420 1.00 0.00 WAT1 ATOM 5495 OH2 TIP3 1030 2.558 -18.553 9.108 1.00 0.00 WAT1 ATOM 5496 H1 TIP3 1030 3.444 -18.521 8.710 1.00 0.00 WAT1 ATOM 5497 H2 TIP3 1030 2.727 -18.778 10.048 1.00 0.00 WAT1 ATOM 5498 OH2 TIP3 1031 5.845 -13.814 8.749 1.00 0.00 WAT1 ATOM 5499 H1 TIP3 1031 6.490 -13.108 8.906 1.00 0.00 WAT1 ATOM 5500 H2 TIP3 1031 5.478 -13.612 7.876 1.00 0.00 WAT1 ATOM 5501 OH2 TIP3 1032 13.784 -12.196 11.169 1.00 0.00 WAT1 ATOM 5502 H1 TIP3 1032 13.487 -12.699 11.969 1.00 0.00 WAT1 ATOM 5503 H2 TIP3 1032 14.638 -11.830 11.425 1.00 0.00 WAT1 ATOM 5504 OH2 TIP3 1033 5.432 -10.413 11.644 1.00 0.00 WAT1 ATOM 5505 H1 TIP3 1033 5.107 -10.632 10.756 1.00 0.00 WAT1 ATOM 5506 H2 TIP3 1033 5.277 -9.446 11.722 1.00 0.00 WAT1 ATOM 5507 OH2 TIP3 1034 1.665 -8.559 23.408 1.00 0.00 WAT1 ATOM 5508 H1 TIP3 1034 1.940 -8.140 22.560 1.00 0.00 WAT1 ATOM 5509 H2 TIP3 1034 2.285 -8.177 24.074 1.00 0.00 WAT1 ATOM 5510 OH2 TIP3 1035 3.491 -7.609 25.182 1.00 0.00 WAT1 ATOM 5511 H1 TIP3 1035 3.539 -6.806 25.713 1.00 0.00 WAT1 ATOM 5512 H2 TIP3 1035 4.246 -8.132 25.473 1.00 0.00 WAT1 ATOM 5513 OH2 TIP3 1036 -1.825 -10.400 24.929 1.00 0.00 WAT1 ATOM 5514 H1 TIP3 1036 -1.605 -11.343 24.768 1.00 0.00 WAT1 ATOM 5515 H2 TIP3 1036 -1.764 -10.303 25.907 1.00 0.00 WAT1 ATOM 5516 OH2 TIP3 1037 -1.646 -9.904 27.596 1.00 0.00 WAT1 ATOM 5517 H1 TIP3 1037 -2.033 -8.998 27.714 1.00 0.00 WAT1 ATOM 5518 H2 TIP3 1037 -0.728 -9.806 27.884 1.00 0.00 WAT1 ATOM 5519 OH2 TIP3 1038 0.817 -12.046 27.804 1.00 0.00 WAT1 ATOM 5520 H1 TIP3 1038 1.168 -11.616 26.988 1.00 0.00 WAT1 ATOM 5521 H2 TIP3 1038 1.567 -12.053 28.406 1.00 0.00 WAT1 ATOM 5522 OH2 TIP3 1039 1.825 -10.946 25.512 1.00 0.00 WAT1 ATOM 5523 H1 TIP3 1039 1.927 -11.730 24.930 1.00 0.00 WAT1 ATOM 5524 H2 TIP3 1039 1.899 -10.193 24.909 1.00 0.00 WAT1 ATOM 5525 OH2 TIP3 1040 18.412 -50.379 -11.043 1.00 0.00 WAT1 ATOM 5526 H1 TIP3 1040 19.186 -49.868 -11.283 1.00 0.00 WAT1 ATOM 5527 H2 TIP3 1040 17.656 -49.840 -11.374 1.00 0.00 WAT1 ATOM 5528 OH2 TIP3 1041 17.231 -59.529 -2.977 1.00 0.00 WAT1 ATOM 5529 H1 TIP3 1041 17.192 -60.016 -2.131 1.00 0.00 WAT1 ATOM 5530 H2 TIP3 1041 18.015 -58.947 -2.882 1.00 0.00 WAT1 ATOM 5531 OH2 TIP3 1042 22.979 -54.645 0.228 1.00 0.00 WAT1 ATOM 5532 H1 TIP3 1042 22.776 -54.147 -0.582 1.00 0.00 WAT1 ATOM 5533 H2 TIP3 1042 23.704 -54.124 0.657 1.00 0.00 WAT1 ATOM 5534 OH2 TIP3 1043 18.043 -56.239 -4.375 1.00 0.00 WAT1 ATOM 5535 H1 TIP3 1043 18.647 -55.462 -4.335 1.00 0.00 WAT1 ATOM 5536 H2 TIP3 1043 18.476 -56.903 -3.799 1.00 0.00 WAT1 ATOM 5537 OH2 TIP3 1044 21.439 -59.424 -2.782 1.00 0.00 WAT1 ATOM 5538 H1 TIP3 1044 21.872 -59.345 -1.896 1.00 0.00 WAT1 ATOM 5539 H2 TIP3 1044 21.989 -60.052 -3.257 1.00 0.00 WAT1 ATOM 5540 OH2 TIP3 1045 22.521 -59.248 -0.313 1.00 0.00 WAT1 ATOM 5541 H1 TIP3 1045 23.069 -58.538 0.092 1.00 0.00 WAT1 ATOM 5542 H2 TIP3 1045 21.997 -59.600 0.434 1.00 0.00 WAT1 ATOM 5543 OH2 TIP3 1046 23.815 -57.172 0.864 1.00 0.00 WAT1 ATOM 5544 H1 TIP3 1046 23.491 -56.282 0.608 1.00 0.00 WAT1 ATOM 5545 H2 TIP3 1046 24.630 -56.998 1.342 1.00 0.00 WAT1 ATOM 5546 OH2 TIP3 1047 17.055 -55.383 -6.855 1.00 0.00 WAT1 ATOM 5547 H1 TIP3 1047 17.209 -54.460 -6.572 1.00 0.00 WAT1 ATOM 5548 H2 TIP3 1047 17.477 -55.918 -6.155 1.00 0.00 WAT1 ATOM 5549 OH2 TIP3 1048 19.889 -54.254 -4.125 1.00 0.00 WAT1 ATOM 5550 H1 TIP3 1048 20.247 -53.955 -3.268 1.00 0.00 WAT1 ATOM 5551 H2 TIP3 1048 20.571 -54.014 -4.762 1.00 0.00 WAT1 ATOM 5552 OH2 TIP3 1049 19.334 -57.814 -2.508 1.00 0.00 WAT1 ATOM 5553 H1 TIP3 1049 19.757 -57.046 -2.050 1.00 0.00 WAT1 ATOM 5554 H2 TIP3 1049 20.097 -58.415 -2.719 1.00 0.00 WAT1 ATOM 5555 OH2 TIP3 1050 24.842 -53.207 1.523 1.00 0.00 WAT1 ATOM 5556 H1 TIP3 1050 24.361 -52.627 2.144 1.00 0.00 WAT1 ATOM 5557 H2 TIP3 1050 25.754 -52.846 1.520 1.00 0.00 WAT1 ATOM 5558 OH2 TIP3 1051 20.359 -57.112 1.895 1.00 0.00 WAT1 ATOM 5559 H1 TIP3 1051 20.852 -57.908 2.169 1.00 0.00 WAT1 ATOM 5560 H2 TIP3 1051 19.749 -57.439 1.203 1.00 0.00 WAT1 ATOM 5561 OH2 TIP3 1052 19.771 -52.285 -7.404 1.00 0.00 WAT1 ATOM 5562 H1 TIP3 1052 20.311 -51.531 -7.078 1.00 0.00 WAT1 ATOM 5563 H2 TIP3 1052 20.372 -52.774 -7.978 1.00 0.00 WAT1 ATOM 5564 OH2 TIP3 1053 20.631 -59.905 1.571 1.00 0.00 WAT1 ATOM 5565 H1 TIP3 1053 19.969 -59.453 1.010 1.00 0.00 WAT1 ATOM 5566 H2 TIP3 1053 20.188 -60.732 1.836 1.00 0.00 WAT1 ATOM 5567 OH2 TIP3 1054 18.358 -53.397 5.939 1.00 0.00 WAT1 ATOM 5568 H1 TIP3 1054 18.200 -52.546 5.492 1.00 0.00 WAT1 ATOM 5569 H2 TIP3 1054 19.332 -53.452 6.019 1.00 0.00 WAT1 ATOM 5570 OH2 TIP3 1055 20.625 -55.909 -1.099 1.00 0.00 WAT1 ATOM 5571 H1 TIP3 1055 21.135 -56.014 -0.281 1.00 0.00 WAT1 ATOM 5572 H2 TIP3 1055 20.981 -55.090 -1.495 1.00 0.00 WAT1 ATOM 5573 OH2 TIP3 1056 21.312 -50.201 -6.486 1.00 0.00 WAT1 ATOM 5574 H1 TIP3 1056 22.124 -49.702 -6.639 1.00 0.00 WAT1 ATOM 5575 H2 TIP3 1056 20.594 -49.586 -6.783 1.00 0.00 WAT1 ATOM 5576 OH2 TIP3 1057 23.210 -49.745 0.906 1.00 0.00 WAT1 ATOM 5577 H1 TIP3 1057 22.377 -49.352 1.254 1.00 0.00 WAT1 ATOM 5578 H2 TIP3 1057 23.140 -49.629 -0.056 1.00 0.00 WAT1 ATOM 5579 OH2 TIP3 1058 21.559 -51.433 -3.967 1.00 0.00 WAT1 ATOM 5580 H1 TIP3 1058 20.601 -51.458 -3.753 1.00 0.00 WAT1 ATOM 5581 H2 TIP3 1058 21.597 -50.980 -4.834 1.00 0.00 WAT1 ATOM 5582 OH2 TIP3 1059 17.665 -52.902 -5.772 1.00 0.00 WAT1 ATOM 5583 H1 TIP3 1059 18.071 -52.954 -4.889 1.00 0.00 WAT1 ATOM 5584 H2 TIP3 1059 18.413 -52.668 -6.364 1.00 0.00 WAT1 ATOM 5585 OH2 TIP3 1060 23.776 -51.743 5.790 1.00 0.00 WAT1 ATOM 5586 H1 TIP3 1060 23.659 -51.945 4.842 1.00 0.00 WAT1 ATOM 5587 H2 TIP3 1060 23.603 -50.790 5.848 1.00 0.00 WAT1 ATOM 5588 OH2 TIP3 1061 17.351 -55.903 6.206 1.00 0.00 WAT1 ATOM 5589 H1 TIP3 1061 17.655 -54.964 6.182 1.00 0.00 WAT1 ATOM 5590 H2 TIP3 1061 17.849 -56.330 5.465 1.00 0.00 WAT1 ATOM 5591 OH2 TIP3 1062 18.733 -58.507 0.117 1.00 0.00 WAT1 ATOM 5592 H1 TIP3 1062 18.982 -58.257 -0.795 1.00 0.00 WAT1 ATOM 5593 H2 TIP3 1062 17.749 -58.443 0.120 1.00 0.00 WAT1 ATOM 5594 OH2 TIP3 1063 16.062 -54.443 -9.426 1.00 0.00 WAT1 ATOM 5595 H1 TIP3 1063 16.574 -53.611 -9.446 1.00 0.00 WAT1 ATOM 5596 H2 TIP3 1063 16.367 -54.890 -8.617 1.00 0.00 WAT1 ATOM 5597 OH2 TIP3 1064 16.050 -58.495 -0.312 1.00 0.00 WAT1 ATOM 5598 H1 TIP3 1064 15.323 -57.952 -0.677 1.00 0.00 WAT1 ATOM 5599 H2 TIP3 1064 15.891 -59.390 -0.676 1.00 0.00 WAT1 ATOM 5600 OH2 TIP3 1065 16.414 -61.226 -0.838 1.00 0.00 WAT1 ATOM 5601 H1 TIP3 1065 16.210 -61.718 -1.667 1.00 0.00 WAT1 ATOM 5602 H2 TIP3 1065 16.204 -61.863 -0.125 1.00 0.00 WAT1 ATOM 5603 OH2 TIP3 1066 16.040 -62.853 1.488 1.00 0.00 WAT1 ATOM 5604 H1 TIP3 1066 15.147 -62.542 1.747 1.00 0.00 WAT1 ATOM 5605 H2 TIP3 1066 16.322 -63.414 2.242 1.00 0.00 WAT1 ATOM 5606 OH2 TIP3 1067 27.190 -51.823 1.672 1.00 0.00 WAT1 ATOM 5607 H1 TIP3 1067 27.729 -51.500 2.399 1.00 0.00 WAT1 ATOM 5608 H2 TIP3 1067 27.296 -51.160 0.982 1.00 0.00 WAT1 ATOM 5609 OH2 TIP3 1068 21.526 -53.377 -1.969 1.00 0.00 WAT1 ATOM 5610 H1 TIP3 1068 21.232 -52.803 -1.216 1.00 0.00 WAT1 ATOM 5611 H2 TIP3 1068 21.804 -52.738 -2.659 1.00 0.00 WAT1 ATOM 5612 OH2 TIP3 1069 19.592 -48.317 -7.350 1.00 0.00 WAT1 ATOM 5613 H1 TIP3 1069 18.893 -47.846 -7.845 1.00 0.00 WAT1 ATOM 5614 H2 TIP3 1069 20.093 -47.597 -6.903 1.00 0.00 WAT1 ATOM 5615 OH2 TIP3 1070 17.051 -46.224 -10.901 1.00 0.00 WAT1 ATOM 5616 H1 TIP3 1070 16.928 -47.151 -11.185 1.00 0.00 WAT1 ATOM 5617 H2 TIP3 1070 17.356 -46.296 -9.976 1.00 0.00 WAT1 ATOM 5618 OH2 TIP3 1071 16.476 -57.015 8.517 1.00 0.00 WAT1 ATOM 5619 H1 TIP3 1071 16.927 -56.746 7.686 1.00 0.00 WAT1 ATOM 5620 H2 TIP3 1071 16.737 -56.343 9.155 1.00 0.00 WAT1 ATOM 5621 OH2 TIP3 1072 11.412 -63.265 13.160 1.00 0.00 WAT1 ATOM 5622 H1 TIP3 1072 11.149 -62.725 12.392 1.00 0.00 WAT1 ATOM 5623 H2 TIP3 1072 11.294 -62.681 13.912 1.00 0.00 WAT1 ATOM 5624 OH2 TIP3 1073 18.698 -52.366 9.136 1.00 0.00 WAT1 ATOM 5625 H1 TIP3 1073 19.012 -52.115 8.257 1.00 0.00 WAT1 ATOM 5626 H2 TIP3 1073 19.000 -53.289 9.242 1.00 0.00 WAT1 ATOM 5627 OH2 TIP3 1074 22.388 -54.587 10.001 1.00 0.00 WAT1 ATOM 5628 H1 TIP3 1074 22.928 -54.271 10.730 1.00 0.00 WAT1 ATOM 5629 H2 TIP3 1074 22.848 -54.257 9.199 1.00 0.00 WAT1 ATOM 5630 OH2 TIP3 1075 17.694 -61.453 4.176 1.00 0.00 WAT1 ATOM 5631 H1 TIP3 1075 18.178 -61.331 3.338 1.00 0.00 WAT1 ATOM 5632 H2 TIP3 1075 17.477 -62.404 4.190 1.00 0.00 WAT1 ATOM 5633 OH2 TIP3 1076 18.505 -56.751 3.960 1.00 0.00 WAT1 ATOM 5634 H1 TIP3 1076 19.129 -56.910 3.229 1.00 0.00 WAT1 ATOM 5635 H2 TIP3 1076 17.642 -57.068 3.616 1.00 0.00 WAT1 ATOM 5636 OH2 TIP3 1077 23.164 -51.519 3.002 1.00 0.00 WAT1 ATOM 5637 H1 TIP3 1077 23.240 -50.965 2.186 1.00 0.00 WAT1 ATOM 5638 H2 TIP3 1077 22.230 -51.819 3.003 1.00 0.00 WAT1 ATOM 5639 OH2 TIP3 1078 19.810 -54.972 9.202 1.00 0.00 WAT1 ATOM 5640 H1 TIP3 1078 19.649 -55.921 9.191 1.00 0.00 WAT1 ATOM 5641 H2 TIP3 1078 20.674 -54.879 9.672 1.00 0.00 WAT1 ATOM 5642 OH2 TIP3 1079 23.628 -53.731 7.660 1.00 0.00 WAT1 ATOM 5643 H1 TIP3 1079 24.368 -54.282 7.381 1.00 0.00 WAT1 ATOM 5644 H2 TIP3 1079 23.684 -52.937 7.071 1.00 0.00 WAT1 ATOM 5645 OH2 TIP3 1080 15.416 -60.037 4.118 1.00 0.00 WAT1 ATOM 5646 H1 TIP3 1080 14.913 -60.669 3.571 1.00 0.00 WAT1 ATOM 5647 H2 TIP3 1080 16.290 -60.478 4.253 1.00 0.00 WAT1 ATOM 5648 OH2 TIP3 1081 20.413 -50.922 6.772 1.00 0.00 WAT1 ATOM 5649 H1 TIP3 1081 20.612 -51.882 6.858 1.00 0.00 WAT1 ATOM 5650 H2 TIP3 1081 20.844 -50.667 5.939 1.00 0.00 WAT1 ATOM 5651 OH2 TIP3 1082 21.182 -54.489 2.310 1.00 0.00 WAT1 ATOM 5652 H1 TIP3 1082 21.850 -54.480 1.598 1.00 0.00 WAT1 ATOM 5653 H2 TIP3 1082 20.848 -55.408 2.310 1.00 0.00 WAT1 ATOM 5654 OH2 TIP3 1083 16.836 -50.935 10.512 1.00 0.00 WAT1 ATOM 5655 H1 TIP3 1083 17.452 -51.513 9.999 1.00 0.00 WAT1 ATOM 5656 H2 TIP3 1083 17.394 -50.541 11.193 1.00 0.00 WAT1 ATOM 5657 OH2 TIP3 1084 20.853 -53.581 7.065 1.00 0.00 WAT1 ATOM 5658 H1 TIP3 1084 20.463 -54.152 7.759 1.00 0.00 WAT1 ATOM 5659 H2 TIP3 1084 21.814 -53.741 7.136 1.00 0.00 WAT1 ATOM 5660 OH2 TIP3 1085 17.933 -50.943 4.610 1.00 0.00 WAT1 ATOM 5661 H1 TIP3 1085 18.860 -51.115 4.363 1.00 0.00 WAT1 ATOM 5662 H2 TIP3 1085 17.460 -50.911 3.745 1.00 0.00 WAT1 ATOM 5663 OH2 TIP3 1086 18.554 -42.369 -13.051 1.00 0.00 WAT1 ATOM 5664 H1 TIP3 1086 18.087 -42.340 -13.910 1.00 0.00 WAT1 ATOM 5665 H2 TIP3 1086 19.478 -42.480 -13.289 1.00 0.00 WAT1 ATOM 5666 OH2 TIP3 1087 19.370 -44.193 -15.637 1.00 0.00 WAT1 ATOM 5667 H1 TIP3 1087 18.928 -44.909 -15.174 1.00 0.00 WAT1 ATOM 5668 H2 TIP3 1087 18.668 -43.517 -15.760 1.00 0.00 WAT1 ATOM 5669 OH2 TIP3 1088 16.439 -48.715 -11.891 1.00 0.00 WAT1 ATOM 5670 H1 TIP3 1088 15.658 -48.829 -11.291 1.00 0.00 WAT1 ATOM 5671 H2 TIP3 1088 16.043 -48.480 -12.758 1.00 0.00 WAT1 ATOM 5672 OH2 TIP3 1089 18.277 -38.086 -0.846 1.00 0.00 WAT1 ATOM 5673 H1 TIP3 1089 19.127 -38.560 -0.937 1.00 0.00 WAT1 ATOM 5674 H2 TIP3 1089 18.200 -37.572 -1.667 1.00 0.00 WAT1 ATOM 5675 OH2 TIP3 1090 19.090 -41.743 -2.034 1.00 0.00 WAT1 ATOM 5676 H1 TIP3 1090 18.673 -42.469 -1.534 1.00 0.00 WAT1 ATOM 5677 H2 TIP3 1090 18.341 -41.309 -2.502 1.00 0.00 WAT1 ATOM 5678 OH2 TIP3 1091 21.197 -43.231 -2.813 1.00 0.00 WAT1 ATOM 5679 H1 TIP3 1091 20.508 -42.537 -2.714 1.00 0.00 WAT1 ATOM 5680 H2 TIP3 1091 21.047 -43.817 -2.040 1.00 0.00 WAT1 ATOM 5681 OH2 TIP3 1092 22.275 -37.401 -5.911 1.00 0.00 WAT1 ATOM 5682 H1 TIP3 1092 22.164 -38.088 -6.583 1.00 0.00 WAT1 ATOM 5683 H2 TIP3 1092 21.825 -36.619 -6.294 1.00 0.00 WAT1 ATOM 5684 OH2 TIP3 1093 23.720 -35.986 -3.963 1.00 0.00 WAT1 ATOM 5685 H1 TIP3 1093 23.369 -36.499 -4.718 1.00 0.00 WAT1 ATOM 5686 H2 TIP3 1093 24.166 -36.657 -3.406 1.00 0.00 WAT1 ATOM 5687 OH2 TIP3 1094 16.609 -39.944 0.296 1.00 0.00 WAT1 ATOM 5688 H1 TIP3 1094 15.718 -39.938 -0.138 1.00 0.00 WAT1 ATOM 5689 H2 TIP3 1094 17.109 -39.241 -0.177 1.00 0.00 WAT1 ATOM 5690 OH2 TIP3 1095 17.373 -40.254 -3.585 1.00 0.00 WAT1 ATOM 5691 H1 TIP3 1095 17.132 -40.520 -4.478 1.00 0.00 WAT1 ATOM 5692 H2 TIP3 1095 16.608 -39.720 -3.280 1.00 0.00 WAT1 ATOM 5693 OH2 TIP3 1096 21.938 -49.676 -1.715 1.00 0.00 WAT1 ATOM 5694 H1 TIP3 1096 21.320 -49.021 -2.096 1.00 0.00 WAT1 ATOM 5695 H2 TIP3 1096 22.111 -50.289 -2.449 1.00 0.00 WAT1 ATOM 5696 OH2 TIP3 1097 19.817 -36.510 -9.122 1.00 0.00 WAT1 ATOM 5697 H1 TIP3 1097 20.212 -35.920 -8.451 1.00 0.00 WAT1 ATOM 5698 H2 TIP3 1097 20.005 -37.408 -8.788 1.00 0.00 WAT1 ATOM 5699 OH2 TIP3 1098 20.891 -35.183 -6.877 1.00 0.00 WAT1 ATOM 5700 H1 TIP3 1098 20.290 -35.270 -6.102 1.00 0.00 WAT1 ATOM 5701 H2 TIP3 1098 21.222 -34.268 -6.815 1.00 0.00 WAT1 ATOM 5702 OH2 TIP3 1099 21.897 -38.735 -3.460 1.00 0.00 WAT1 ATOM 5703 H1 TIP3 1099 22.731 -38.387 -3.079 1.00 0.00 WAT1 ATOM 5704 H2 TIP3 1099 21.813 -38.267 -4.317 1.00 0.00 WAT1 ATOM 5705 OH2 TIP3 1100 22.573 -37.499 2.368 1.00 0.00 WAT1 ATOM 5706 H1 TIP3 1100 22.539 -36.611 2.788 1.00 0.00 WAT1 ATOM 5707 H2 TIP3 1100 23.324 -37.930 2.788 1.00 0.00 WAT1 ATOM 5708 OH2 TIP3 1101 18.208 -39.118 2.501 1.00 0.00 WAT1 ATOM 5709 H1 TIP3 1101 17.729 -38.478 3.069 1.00 0.00 WAT1 ATOM 5710 H2 TIP3 1101 17.560 -39.352 1.804 1.00 0.00 WAT1 ATOM 5711 OH2 TIP3 1102 20.844 -33.355 2.648 1.00 0.00 WAT1 ATOM 5712 H1 TIP3 1102 21.543 -34.012 2.824 1.00 0.00 WAT1 ATOM 5713 H2 TIP3 1102 20.195 -33.504 3.357 1.00 0.00 WAT1 ATOM 5714 OH2 TIP3 1103 20.100 -38.956 -7.715 1.00 0.00 WAT1 ATOM 5715 H1 TIP3 1103 19.693 -38.722 -6.846 1.00 0.00 WAT1 ATOM 5716 H2 TIP3 1103 20.666 -39.734 -7.510 1.00 0.00 WAT1 ATOM 5717 OH2 TIP3 1104 22.825 -38.320 -0.271 1.00 0.00 WAT1 ATOM 5718 H1 TIP3 1104 22.693 -38.031 0.657 1.00 0.00 WAT1 ATOM 5719 H2 TIP3 1104 22.010 -38.815 -0.484 1.00 0.00 WAT1 ATOM 5720 OH2 TIP3 1105 16.768 -31.141 -2.954 1.00 0.00 WAT1 ATOM 5721 H1 TIP3 1105 16.984 -31.388 -2.025 1.00 0.00 WAT1 ATOM 5722 H2 TIP3 1105 15.999 -31.700 -3.177 1.00 0.00 WAT1 ATOM 5723 OH2 TIP3 1106 20.532 -39.579 -1.243 1.00 0.00 WAT1 ATOM 5724 H1 TIP3 1106 20.054 -40.410 -1.478 1.00 0.00 WAT1 ATOM 5725 H2 TIP3 1106 20.986 -39.323 -2.078 1.00 0.00 WAT1 ATOM 5726 OH2 TIP3 1107 21.612 -41.010 -6.673 1.00 0.00 WAT1 ATOM 5727 H1 TIP3 1107 21.080 -41.745 -6.312 1.00 0.00 WAT1 ATOM 5728 H2 TIP3 1107 22.393 -40.970 -6.079 1.00 0.00 WAT1 ATOM 5729 OH2 TIP3 1108 19.822 -44.273 -7.856 1.00 0.00 WAT1 ATOM 5730 H1 TIP3 1108 19.927 -43.647 -8.584 1.00 0.00 WAT1 ATOM 5731 H2 TIP3 1108 19.964 -43.729 -7.048 1.00 0.00 WAT1 ATOM 5732 OH2 TIP3 1109 21.892 -45.329 1.351 1.00 0.00 WAT1 ATOM 5733 H1 TIP3 1109 22.566 -44.658 1.153 1.00 0.00 WAT1 ATOM 5734 H2 TIP3 1109 21.183 -45.150 0.692 1.00 0.00 WAT1 ATOM 5735 OH2 TIP3 1110 20.325 -43.161 -5.417 1.00 0.00 WAT1 ATOM 5736 H1 TIP3 1110 20.906 -43.151 -4.626 1.00 0.00 WAT1 ATOM 5737 H2 TIP3 1110 19.454 -43.458 -5.066 1.00 0.00 WAT1 ATOM 5738 OH2 TIP3 1111 23.267 -40.916 -4.520 1.00 0.00 WAT1 ATOM 5739 H1 TIP3 1111 22.718 -40.206 -4.139 1.00 0.00 WAT1 ATOM 5740 H2 TIP3 1111 23.631 -41.379 -3.738 1.00 0.00 WAT1 ATOM 5741 OH2 TIP3 1112 20.788 -49.007 1.768 1.00 0.00 WAT1 ATOM 5742 H1 TIP3 1112 20.460 -48.172 2.158 1.00 0.00 WAT1 ATOM 5743 H2 TIP3 1112 20.071 -49.651 1.941 1.00 0.00 WAT1 ATOM 5744 OH2 TIP3 1113 18.896 -38.278 -5.390 1.00 0.00 WAT1 ATOM 5745 H1 TIP3 1113 18.704 -38.688 -4.531 1.00 0.00 WAT1 ATOM 5746 H2 TIP3 1113 18.622 -37.356 -5.280 1.00 0.00 WAT1 ATOM 5747 OH2 TIP3 1114 19.407 -35.160 -4.577 1.00 0.00 WAT1 ATOM 5748 H1 TIP3 1114 19.469 -34.331 -4.070 1.00 0.00 WAT1 ATOM 5749 H2 TIP3 1114 18.871 -35.743 -4.002 1.00 0.00 WAT1 ATOM 5750 OH2 TIP3 1115 16.256 -41.805 -11.619 1.00 0.00 WAT1 ATOM 5751 H1 TIP3 1115 17.181 -41.943 -11.918 1.00 0.00 WAT1 ATOM 5752 H2 TIP3 1115 15.869 -42.708 -11.622 1.00 0.00 WAT1 ATOM 5753 OH2 TIP3 1116 24.415 -38.206 -2.456 1.00 0.00 WAT1 ATOM 5754 H1 TIP3 1116 24.881 -39.052 -2.471 1.00 0.00 WAT1 ATOM 5755 H2 TIP3 1116 23.986 -38.183 -1.567 1.00 0.00 WAT1 ATOM 5756 OH2 TIP3 1117 21.285 -32.628 -5.738 1.00 0.00 WAT1 ATOM 5757 H1 TIP3 1117 20.414 -32.375 -5.361 1.00 0.00 WAT1 ATOM 5758 H2 TIP3 1117 21.740 -33.084 -5.000 1.00 0.00 WAT1 ATOM 5759 OH2 TIP3 1118 15.345 -44.419 -12.024 1.00 0.00 WAT1 ATOM 5760 H1 TIP3 1118 14.481 -44.882 -11.918 1.00 0.00 WAT1 ATOM 5761 H2 TIP3 1118 16.002 -45.051 -11.643 1.00 0.00 WAT1 ATOM 5762 OH2 TIP3 1119 17.541 -36.570 -3.165 1.00 0.00 WAT1 ATOM 5763 H1 TIP3 1119 16.827 -36.495 -2.493 1.00 0.00 WAT1 ATOM 5764 H2 TIP3 1119 17.075 -36.450 -4.021 1.00 0.00 WAT1 ATOM 5765 OH2 TIP3 1120 21.173 -30.259 9.751 1.00 0.00 WAT1 ATOM 5766 H1 TIP3 1120 21.101 -31.242 9.799 1.00 0.00 WAT1 ATOM 5767 H2 TIP3 1120 21.098 -29.974 10.681 1.00 0.00 WAT1 ATOM 5768 OH2 TIP3 1121 20.468 -38.238 4.036 1.00 0.00 WAT1 ATOM 5769 H1 TIP3 1121 21.100 -38.135 3.297 1.00 0.00 WAT1 ATOM 5770 H2 TIP3 1121 19.667 -38.603 3.611 1.00 0.00 WAT1 ATOM 5771 OH2 TIP3 1122 20.443 -40.404 1.576 1.00 0.00 WAT1 ATOM 5772 H1 TIP3 1122 19.596 -40.025 1.900 1.00 0.00 WAT1 ATOM 5773 H2 TIP3 1122 20.482 -40.133 0.643 1.00 0.00 WAT1 ATOM 5774 OH2 TIP3 1123 20.019 -46.711 2.990 1.00 0.00 WAT1 ATOM 5775 H1 TIP3 1123 20.223 -46.685 3.939 1.00 0.00 WAT1 ATOM 5776 H2 TIP3 1123 20.670 -46.097 2.587 1.00 0.00 WAT1 ATOM 5777 OH2 TIP3 1124 22.974 -46.940 3.406 1.00 0.00 WAT1 ATOM 5778 H1 TIP3 1124 22.803 -46.711 2.474 1.00 0.00 WAT1 ATOM 5779 H2 TIP3 1124 22.680 -46.152 3.899 1.00 0.00 WAT1 ATOM 5780 OH2 TIP3 1125 22.393 -42.760 0.371 1.00 0.00 WAT1 ATOM 5781 H1 TIP3 1125 22.200 -42.490 1.289 1.00 0.00 WAT1 ATOM 5782 H2 TIP3 1125 21.535 -43.100 0.036 1.00 0.00 WAT1 ATOM 5783 OH2 TIP3 1126 20.848 -51.647 -0.033 1.00 0.00 WAT1 ATOM 5784 H1 TIP3 1126 20.252 -51.378 0.693 1.00 0.00 WAT1 ATOM 5785 H2 TIP3 1126 21.239 -50.807 -0.345 1.00 0.00 WAT1 ATOM 5786 OH2 TIP3 1127 17.334 -42.549 1.227 1.00 0.00 WAT1 ATOM 5787 H1 TIP3 1127 17.581 -43.092 0.445 1.00 0.00 WAT1 ATOM 5788 H2 TIP3 1127 17.068 -41.686 0.850 1.00 0.00 WAT1 ATOM 5789 OH2 TIP3 1128 22.607 -49.344 4.651 1.00 0.00 WAT1 ATOM 5790 H1 TIP3 1128 22.761 -50.079 4.027 1.00 0.00 WAT1 ATOM 5791 H2 TIP3 1128 22.820 -48.536 4.124 1.00 0.00 WAT1 ATOM 5792 OH2 TIP3 1129 21.634 -45.559 8.358 1.00 0.00 WAT1 ATOM 5793 H1 TIP3 1129 21.742 -46.253 7.677 1.00 0.00 WAT1 ATOM 5794 H2 TIP3 1129 22.130 -44.800 8.005 1.00 0.00 WAT1 ATOM 5795 OH2 TIP3 1130 16.784 -33.268 -5.556 1.00 0.00 WAT1 ATOM 5796 H1 TIP3 1130 16.740 -34.235 -5.474 1.00 0.00 WAT1 ATOM 5797 H2 TIP3 1130 15.956 -32.956 -5.140 1.00 0.00 WAT1 ATOM 5798 OH2 TIP3 1131 15.302 -36.383 -1.589 1.00 0.00 WAT1 ATOM 5799 H1 TIP3 1131 15.510 -35.826 -0.806 1.00 0.00 WAT1 ATOM 5800 H2 TIP3 1131 14.517 -36.926 -1.290 1.00 0.00 WAT1 ATOM 5801 OH2 TIP3 1132 23.370 -33.613 6.042 1.00 0.00 WAT1 ATOM 5802 H1 TIP3 1132 24.079 -34.111 6.517 1.00 0.00 WAT1 ATOM 5803 H2 TIP3 1132 22.540 -34.056 6.318 1.00 0.00 WAT1 ATOM 5804 OH2 TIP3 1133 22.886 -28.577 -0.538 1.00 0.00 WAT1 ATOM 5805 H1 TIP3 1133 23.271 -29.401 -0.914 1.00 0.00 WAT1 ATOM 5806 H2 TIP3 1133 23.590 -27.903 -0.671 1.00 0.00 WAT1 ATOM 5807 OH2 TIP3 1134 22.046 -33.921 -3.371 1.00 0.00 WAT1 ATOM 5808 H1 TIP3 1134 21.307 -34.414 -2.971 1.00 0.00 WAT1 ATOM 5809 H2 TIP3 1134 22.739 -34.611 -3.528 1.00 0.00 WAT1 ATOM 5810 OH2 TIP3 1135 17.949 -46.262 -8.279 1.00 0.00 WAT1 ATOM 5811 H1 TIP3 1135 18.586 -45.518 -8.213 1.00 0.00 WAT1 ATOM 5812 H2 TIP3 1135 17.316 -46.100 -7.548 1.00 0.00 WAT1 ATOM 5813 OH2 TIP3 1136 23.570 -42.075 -2.044 1.00 0.00 WAT1 ATOM 5814 H1 TIP3 1136 22.812 -42.564 -2.424 1.00 0.00 WAT1 ATOM 5815 H2 TIP3 1136 23.459 -42.186 -1.080 1.00 0.00 WAT1 ATOM 5816 OH2 TIP3 1137 16.556 -36.124 -5.678 1.00 0.00 WAT1 ATOM 5817 H1 TIP3 1137 15.904 -36.795 -5.944 1.00 0.00 WAT1 ATOM 5818 H2 TIP3 1137 16.895 -35.773 -6.529 1.00 0.00 WAT1 ATOM 5819 OH2 TIP3 1138 20.991 -46.254 -6.261 1.00 0.00 WAT1 ATOM 5820 H1 TIP3 1138 21.535 -45.781 -5.621 1.00 0.00 WAT1 ATOM 5821 H2 TIP3 1138 20.669 -45.556 -6.865 1.00 0.00 WAT1 ATOM 5822 OH2 TIP3 1139 20.441 -52.231 3.621 1.00 0.00 WAT1 ATOM 5823 H1 TIP3 1139 19.857 -51.848 2.924 1.00 0.00 WAT1 ATOM 5824 H2 TIP3 1139 20.661 -53.131 3.280 1.00 0.00 WAT1 ATOM 5825 OH2 TIP3 1140 18.530 -37.273 11.641 1.00 0.00 WAT1 ATOM 5826 H1 TIP3 1140 18.971 -37.345 10.779 1.00 0.00 WAT1 ATOM 5827 H2 TIP3 1140 18.159 -38.175 11.798 1.00 0.00 WAT1 ATOM 5828 OH2 TIP3 1141 20.214 -46.975 10.284 1.00 0.00 WAT1 ATOM 5829 H1 TIP3 1141 20.654 -46.273 9.755 1.00 0.00 WAT1 ATOM 5830 H2 TIP3 1141 20.501 -47.811 9.852 1.00 0.00 WAT1 ATOM 5831 OH2 TIP3 1142 21.043 -41.610 15.782 1.00 0.00 WAT1 ATOM 5832 H1 TIP3 1142 21.004 -41.777 16.749 1.00 0.00 WAT1 ATOM 5833 H2 TIP3 1142 21.546 -40.789 15.704 1.00 0.00 WAT1 ATOM 5834 OH2 TIP3 1143 18.019 -46.790 14.981 1.00 0.00 WAT1 ATOM 5835 H1 TIP3 1143 17.299 -46.671 14.327 1.00 0.00 WAT1 ATOM 5836 H2 TIP3 1143 18.830 -46.633 14.467 1.00 0.00 WAT1 ATOM 5837 OH2 TIP3 1144 20.236 -38.153 15.224 1.00 0.00 WAT1 ATOM 5838 H1 TIP3 1144 19.334 -38.482 15.012 1.00 0.00 WAT1 ATOM 5839 H2 TIP3 1144 20.409 -38.497 16.132 1.00 0.00 WAT1 ATOM 5840 OH2 TIP3 1145 19.659 -45.755 12.878 1.00 0.00 WAT1 ATOM 5841 H1 TIP3 1145 18.891 -45.280 12.501 1.00 0.00 WAT1 ATOM 5842 H2 TIP3 1145 20.027 -46.247 12.119 1.00 0.00 WAT1 ATOM 5843 OH2 TIP3 1146 23.020 -36.284 18.694 1.00 0.00 WAT1 ATOM 5844 H1 TIP3 1146 22.649 -35.581 19.262 1.00 0.00 WAT1 ATOM 5845 H2 TIP3 1146 22.321 -36.956 18.665 1.00 0.00 WAT1 ATOM 5846 OH2 TIP3 1147 20.124 -39.949 9.965 1.00 0.00 WAT1 ATOM 5847 H1 TIP3 1147 20.182 -39.014 9.691 1.00 0.00 WAT1 ATOM 5848 H2 TIP3 1147 20.367 -39.935 10.913 1.00 0.00 WAT1 ATOM 5849 OH2 TIP3 1148 24.089 -35.473 16.376 1.00 0.00 WAT1 ATOM 5850 H1 TIP3 1148 23.748 -35.840 17.230 1.00 0.00 WAT1 ATOM 5851 H2 TIP3 1148 24.967 -35.859 16.288 1.00 0.00 WAT1 ATOM 5852 OH2 TIP3 1149 20.364 -39.274 12.680 1.00 0.00 WAT1 ATOM 5853 H1 TIP3 1149 19.415 -39.524 12.658 1.00 0.00 WAT1 ATOM 5854 H2 TIP3 1149 20.499 -38.946 13.590 1.00 0.00 WAT1 ATOM 5855 OH2 TIP3 1150 20.248 -36.902 19.097 1.00 0.00 WAT1 ATOM 5856 H1 TIP3 1150 19.319 -36.684 18.884 1.00 0.00 WAT1 ATOM 5857 H2 TIP3 1150 20.629 -36.052 19.395 1.00 0.00 WAT1 ATOM 5858 OH2 TIP3 1151 20.368 -37.285 9.238 1.00 0.00 WAT1 ATOM 5859 H1 TIP3 1151 20.773 -37.431 8.350 1.00 0.00 WAT1 ATOM 5860 H2 TIP3 1151 21.113 -36.985 9.798 1.00 0.00 WAT1 ATOM 5861 OH2 TIP3 1152 17.285 -38.768 17.629 1.00 0.00 WAT1 ATOM 5862 H1 TIP3 1152 17.898 -39.446 17.284 1.00 0.00 WAT1 ATOM 5863 H2 TIP3 1152 16.421 -39.221 17.646 1.00 0.00 WAT1 ATOM 5864 OH2 TIP3 1153 17.576 -36.193 18.461 1.00 0.00 WAT1 ATOM 5865 H1 TIP3 1153 16.697 -35.959 18.801 1.00 0.00 WAT1 ATOM 5866 H2 TIP3 1153 17.472 -37.124 18.144 1.00 0.00 WAT1 ATOM 5867 OH2 TIP3 1154 20.687 -39.256 17.677 1.00 0.00 WAT1 ATOM 5868 H1 TIP3 1154 20.504 -38.557 18.342 1.00 0.00 WAT1 ATOM 5869 H2 TIP3 1154 20.562 -40.093 18.165 1.00 0.00 WAT1 ATOM 5870 OH2 TIP3 1155 18.130 -41.844 10.730 1.00 0.00 WAT1 ATOM 5871 H1 TIP3 1155 17.775 -41.092 11.264 1.00 0.00 WAT1 ATOM 5872 H2 TIP3 1155 18.846 -41.445 10.212 1.00 0.00 WAT1 ATOM 5873 OH2 TIP3 1156 19.401 -43.648 14.697 1.00 0.00 WAT1 ATOM 5874 H1 TIP3 1156 20.154 -43.047 14.863 1.00 0.00 WAT1 ATOM 5875 H2 TIP3 1156 19.782 -44.372 14.156 1.00 0.00 WAT1 ATOM 5876 OH2 TIP3 1157 21.735 -44.647 4.474 1.00 0.00 WAT1 ATOM 5877 H1 TIP3 1157 21.851 -43.939 3.800 1.00 0.00 WAT1 ATOM 5878 H2 TIP3 1157 20.836 -44.506 4.806 1.00 0.00 WAT1 ATOM 5879 OH2 TIP3 1158 16.182 -46.103 13.053 1.00 0.00 WAT1 ATOM 5880 H1 TIP3 1158 16.514 -45.199 12.846 1.00 0.00 WAT1 ATOM 5881 H2 TIP3 1158 16.508 -46.650 12.300 1.00 0.00 WAT1 ATOM 5882 OH2 TIP3 1159 23.168 -43.901 6.734 1.00 0.00 WAT1 ATOM 5883 H1 TIP3 1159 22.797 -44.264 5.902 1.00 0.00 WAT1 ATOM 5884 H2 TIP3 1159 24.098 -44.150 6.709 1.00 0.00 WAT1 ATOM 5885 OH2 TIP3 1160 21.658 -42.290 3.054 1.00 0.00 WAT1 ATOM 5886 H1 TIP3 1160 21.752 -41.953 3.977 1.00 0.00 WAT1 ATOM 5887 H2 TIP3 1160 21.215 -41.548 2.572 1.00 0.00 WAT1 ATOM 5888 OH2 TIP3 1161 21.064 -48.991 8.636 1.00 0.00 WAT1 ATOM 5889 H1 TIP3 1161 21.432 -48.408 7.946 1.00 0.00 WAT1 ATOM 5890 H2 TIP3 1161 20.855 -49.816 8.161 1.00 0.00 WAT1 ATOM 5891 OH2 TIP3 1162 18.376 -40.908 16.235 1.00 0.00 WAT1 ATOM 5892 H1 TIP3 1162 19.281 -41.200 16.008 1.00 0.00 WAT1 ATOM 5893 H2 TIP3 1162 18.112 -40.337 15.480 1.00 0.00 WAT1 ATOM 5894 OH2 TIP3 1163 19.253 -34.710 12.652 1.00 0.00 WAT1 ATOM 5895 H1 TIP3 1163 19.961 -34.082 12.905 1.00 0.00 WAT1 ATOM 5896 H2 TIP3 1163 19.729 -35.444 12.227 1.00 0.00 WAT1 ATOM 5897 OH2 TIP3 1164 21.709 -41.680 5.707 1.00 0.00 WAT1 ATOM 5898 H1 TIP3 1164 22.108 -42.326 6.319 1.00 0.00 WAT1 ATOM 5899 H2 TIP3 1164 20.960 -41.295 6.217 1.00 0.00 WAT1 ATOM 5900 OH2 TIP3 1165 19.357 -34.737 8.796 1.00 0.00 WAT1 ATOM 5901 H1 TIP3 1165 18.464 -34.489 9.111 1.00 0.00 WAT1 ATOM 5902 H2 TIP3 1165 19.433 -35.688 9.012 1.00 0.00 WAT1 ATOM 5903 OH2 TIP3 1166 21.077 -30.102 12.527 1.00 0.00 WAT1 ATOM 5904 H1 TIP3 1166 20.117 -29.865 12.568 1.00 0.00 WAT1 ATOM 5905 H2 TIP3 1166 21.114 -31.002 12.886 1.00 0.00 WAT1 ATOM 5906 OH2 TIP3 1167 18.081 -46.205 20.602 1.00 0.00 WAT1 ATOM 5907 H1 TIP3 1167 17.178 -46.031 20.273 1.00 0.00 WAT1 ATOM 5908 H2 TIP3 1167 18.596 -45.448 20.287 1.00 0.00 WAT1 ATOM 5909 OH2 TIP3 1168 18.062 -34.560 16.235 1.00 0.00 WAT1 ATOM 5910 H1 TIP3 1168 18.107 -33.603 16.437 1.00 0.00 WAT1 ATOM 5911 H2 TIP3 1168 18.016 -34.990 17.113 1.00 0.00 WAT1 ATOM 5912 OH2 TIP3 1169 20.974 -34.914 6.406 1.00 0.00 WAT1 ATOM 5913 H1 TIP3 1169 20.258 -34.677 5.794 1.00 0.00 WAT1 ATOM 5914 H2 TIP3 1169 20.550 -34.894 7.288 1.00 0.00 WAT1 ATOM 5915 OH2 TIP3 1170 20.918 -32.915 10.147 1.00 0.00 WAT1 ATOM 5916 H1 TIP3 1170 20.391 -33.598 9.687 1.00 0.00 WAT1 ATOM 5917 H2 TIP3 1170 21.183 -33.337 10.979 1.00 0.00 WAT1 ATOM 5918 OH2 TIP3 1171 19.828 -40.444 7.240 1.00 0.00 WAT1 ATOM 5919 H1 TIP3 1171 20.075 -39.531 7.014 1.00 0.00 WAT1 ATOM 5920 H2 TIP3 1171 19.803 -40.450 8.217 1.00 0.00 WAT1 ATOM 5921 OH2 TIP3 1172 21.545 -33.510 13.369 1.00 0.00 WAT1 ATOM 5922 H1 TIP3 1172 21.860 -34.356 13.748 1.00 0.00 WAT1 ATOM 5923 H2 TIP3 1172 21.404 -32.933 14.155 1.00 0.00 WAT1 ATOM 5924 OH2 TIP3 1173 22.449 -35.268 3.979 1.00 0.00 WAT1 ATOM 5925 H1 TIP3 1173 21.880 -35.588 4.702 1.00 0.00 WAT1 ATOM 5926 H2 TIP3 1173 23.055 -34.639 4.416 1.00 0.00 WAT1 ATOM 5927 OH2 TIP3 1174 19.120 -43.890 2.764 1.00 0.00 WAT1 ATOM 5928 H1 TIP3 1174 18.417 -43.391 2.277 1.00 0.00 WAT1 ATOM 5929 H2 TIP3 1174 19.937 -43.413 2.547 1.00 0.00 WAT1 ATOM 5930 OH2 TIP3 1175 19.254 -31.830 20.455 1.00 0.00 WAT1 ATOM 5931 H1 TIP3 1175 20.037 -31.889 19.864 1.00 0.00 WAT1 ATOM 5932 H2 TIP3 1175 19.241 -32.693 20.921 1.00 0.00 WAT1 ATOM 5933 OH2 TIP3 1176 27.712 -33.579 6.802 1.00 0.00 WAT1 ATOM 5934 H1 TIP3 1176 28.532 -33.914 6.427 1.00 0.00 WAT1 ATOM 5935 H2 TIP3 1176 27.914 -32.670 7.048 1.00 0.00 WAT1 ATOM 5936 OH2 TIP3 1177 19.081 -34.289 21.625 1.00 0.00 WAT1 ATOM 5937 H1 TIP3 1177 18.128 -34.483 21.472 1.00 0.00 WAT1 ATOM 5938 H2 TIP3 1177 19.272 -34.703 22.475 1.00 0.00 WAT1 ATOM 5939 OH2 TIP3 1178 21.218 -38.088 6.676 1.00 0.00 WAT1 ATOM 5940 H1 TIP3 1178 20.834 -37.989 5.771 1.00 0.00 WAT1 ATOM 5941 H2 TIP3 1178 22.065 -38.522 6.524 1.00 0.00 WAT1 ATOM 5942 OH2 TIP3 1179 16.313 -34.526 21.502 1.00 0.00 WAT1 ATOM 5943 H1 TIP3 1179 15.708 -34.726 22.237 1.00 0.00 WAT1 ATOM 5944 H2 TIP3 1179 15.830 -34.853 20.708 1.00 0.00 WAT1 ATOM 5945 OH2 TIP3 1180 20.701 -41.959 18.499 1.00 0.00 WAT1 ATOM 5946 H1 TIP3 1180 21.391 -42.270 19.094 1.00 0.00 WAT1 ATOM 5947 H2 TIP3 1180 19.912 -42.493 18.750 1.00 0.00 WAT1 ATOM 5948 OH2 TIP3 1181 24.890 -28.983 7.899 1.00 0.00 WAT1 ATOM 5949 H1 TIP3 1181 24.706 -29.912 7.677 1.00 0.00 WAT1 ATOM 5950 H2 TIP3 1181 25.448 -28.668 7.154 1.00 0.00 WAT1 ATOM 5951 OH2 TIP3 1182 18.598 -43.555 19.291 1.00 0.00 WAT1 ATOM 5952 H1 TIP3 1182 18.291 -43.747 18.379 1.00 0.00 WAT1 ATOM 5953 H2 TIP3 1182 17.776 -43.325 19.775 1.00 0.00 WAT1 ATOM 5954 OH2 TIP3 1183 17.619 -43.878 12.490 1.00 0.00 WAT1 ATOM 5955 H1 TIP3 1183 18.077 -43.476 13.249 1.00 0.00 WAT1 ATOM 5956 H2 TIP3 1183 17.728 -43.218 11.764 1.00 0.00 WAT1 ATOM 5957 OH2 TIP3 1184 16.399 -46.138 17.026 1.00 0.00 WAT1 ATOM 5958 H1 TIP3 1184 17.031 -46.556 16.392 1.00 0.00 WAT1 ATOM 5959 H2 TIP3 1184 16.687 -45.196 17.054 1.00 0.00 WAT1 ATOM 5960 OH2 TIP3 1185 21.309 -34.472 19.955 1.00 0.00 WAT1 ATOM 5961 H1 TIP3 1185 21.486 -33.553 19.675 1.00 0.00 WAT1 ATOM 5962 H2 TIP3 1185 20.596 -34.387 20.621 1.00 0.00 WAT1 ATOM 5963 OH2 TIP3 1186 21.538 -31.830 18.947 1.00 0.00 WAT1 ATOM 5964 H1 TIP3 1186 22.214 -32.225 18.356 1.00 0.00 WAT1 ATOM 5965 H2 TIP3 1186 21.468 -30.897 18.639 1.00 0.00 WAT1 ATOM 5966 OH2 TIP3 1187 22.075 -36.019 14.510 1.00 0.00 WAT1 ATOM 5967 H1 TIP3 1187 22.789 -35.876 15.165 1.00 0.00 WAT1 ATOM 5968 H2 TIP3 1187 21.504 -36.700 14.922 1.00 0.00 WAT1 ATOM 5969 OH2 TIP3 1188 21.442 -36.733 11.887 1.00 0.00 WAT1 ATOM 5970 H1 TIP3 1188 21.028 -37.593 12.094 1.00 0.00 WAT1 ATOM 5971 H2 TIP3 1188 21.846 -36.454 12.734 1.00 0.00 WAT1 ATOM 5972 OH2 TIP3 1189 23.241 -32.931 17.106 1.00 0.00 WAT1 ATOM 5973 H1 TIP3 1189 23.448 -33.846 16.814 1.00 0.00 WAT1 ATOM 5974 H2 TIP3 1189 24.071 -32.454 16.986 1.00 0.00 WAT1 ATOM 5975 OH2 TIP3 1190 21.652 -47.477 6.390 1.00 0.00 WAT1 ATOM 5976 H1 TIP3 1190 20.730 -47.382 6.065 1.00 0.00 WAT1 ATOM 5977 H2 TIP3 1190 22.053 -48.141 5.785 1.00 0.00 WAT1 ATOM 5978 OH2 TIP3 1191 19.040 -47.247 5.592 1.00 0.00 WAT1 ATOM 5979 H1 TIP3 1191 18.472 -46.442 5.526 1.00 0.00 WAT1 ATOM 5980 H2 TIP3 1191 18.531 -47.853 6.173 1.00 0.00 WAT1 ATOM 5981 OH2 TIP3 1192 17.681 -45.055 4.785 1.00 0.00 WAT1 ATOM 5982 H1 TIP3 1192 16.870 -44.519 4.778 1.00 0.00 WAT1 ATOM 5983 H2 TIP3 1192 18.264 -44.608 4.135 1.00 0.00 WAT1 ATOM 5984 OH2 TIP3 1193 25.369 -34.894 7.298 1.00 0.00 WAT1 ATOM 5985 H1 TIP3 1193 25.655 -35.479 8.002 1.00 0.00 WAT1 ATOM 5986 H2 TIP3 1193 26.180 -34.391 7.059 1.00 0.00 WAT1 ATOM 5987 OH2 TIP3 1194 18.461 -23.933 -0.368 1.00 0.00 WAT1 ATOM 5988 H1 TIP3 1194 18.627 -24.890 -0.526 1.00 0.00 WAT1 ATOM 5989 H2 TIP3 1194 17.797 -23.689 -1.053 1.00 0.00 WAT1 ATOM 5990 OH2 TIP3 1195 15.839 -24.064 -7.008 1.00 0.00 WAT1 ATOM 5991 H1 TIP3 1195 16.637 -24.594 -6.838 1.00 0.00 WAT1 ATOM 5992 H2 TIP3 1195 15.600 -23.706 -6.132 1.00 0.00 WAT1 ATOM 5993 OH2 TIP3 1196 16.230 -25.780 -3.952 1.00 0.00 WAT1 ATOM 5994 H1 TIP3 1196 16.880 -25.693 -4.682 1.00 0.00 WAT1 ATOM 5995 H2 TIP3 1196 16.236 -26.739 -3.745 1.00 0.00 WAT1 ATOM 5996 OH2 TIP3 1197 22.080 -25.636 -6.053 1.00 0.00 WAT1 ATOM 5997 H1 TIP3 1197 22.465 -25.359 -6.886 1.00 0.00 WAT1 ATOM 5998 H2 TIP3 1197 21.467 -26.364 -6.300 1.00 0.00 WAT1 ATOM 5999 OH2 TIP3 1198 19.194 -27.486 -3.977 1.00 0.00 WAT1 ATOM 6000 H1 TIP3 1198 18.279 -27.841 -3.924 1.00 0.00 WAT1 ATOM 6001 H2 TIP3 1198 19.668 -27.942 -3.244 1.00 0.00 WAT1 ATOM 6002 OH2 TIP3 1199 21.665 -25.367 -0.660 1.00 0.00 WAT1 ATOM 6003 H1 TIP3 1199 21.766 -25.419 -1.641 1.00 0.00 WAT1 ATOM 6004 H2 TIP3 1199 21.565 -24.409 -0.480 1.00 0.00 WAT1 ATOM 6005 OH2 TIP3 1200 21.588 -25.692 -3.364 1.00 0.00 WAT1 ATOM 6006 H1 TIP3 1200 20.761 -26.170 -3.526 1.00 0.00 WAT1 ATOM 6007 H2 TIP3 1200 21.940 -25.515 -4.264 1.00 0.00 WAT1 ATOM 6008 OH2 TIP3 1201 21.155 -31.386 -2.864 1.00 0.00 WAT1 ATOM 6009 H1 TIP3 1201 21.483 -32.307 -2.976 1.00 0.00 WAT1 ATOM 6010 H2 TIP3 1201 20.348 -31.357 -3.418 1.00 0.00 WAT1 ATOM 6011 OH2 TIP3 1202 22.321 -24.126 2.209 1.00 0.00 WAT1 ATOM 6012 H1 TIP3 1202 21.546 -24.436 2.698 1.00 0.00 WAT1 ATOM 6013 H2 TIP3 1202 21.946 -23.556 1.503 1.00 0.00 WAT1 ATOM 6014 OH2 TIP3 1203 20.596 -20.157 -0.164 1.00 0.00 WAT1 ATOM 6015 H1 TIP3 1203 19.897 -19.669 0.281 1.00 0.00 WAT1 ATOM 6016 H2 TIP3 1203 20.886 -19.571 -0.869 1.00 0.00 WAT1 ATOM 6017 OH2 TIP3 1204 14.998 -16.124 -3.025 1.00 0.00 WAT1 ATOM 6018 H1 TIP3 1204 15.788 -15.781 -3.453 1.00 0.00 WAT1 ATOM 6019 H2 TIP3 1204 14.729 -16.886 -3.589 1.00 0.00 WAT1 ATOM 6020 OH2 TIP3 1205 20.941 -22.851 0.188 1.00 0.00 WAT1 ATOM 6021 H1 TIP3 1205 20.028 -23.146 -0.024 1.00 0.00 WAT1 ATOM 6022 H2 TIP3 1205 20.917 -21.879 0.040 1.00 0.00 WAT1 ATOM 6023 OH2 TIP3 1206 20.520 -28.730 -1.957 1.00 0.00 WAT1 ATOM 6024 H1 TIP3 1206 20.673 -29.668 -2.175 1.00 0.00 WAT1 ATOM 6025 H2 TIP3 1206 21.336 -28.462 -1.482 1.00 0.00 WAT1 ATOM 6026 OH2 TIP3 1207 24.937 -26.758 -0.807 1.00 0.00 WAT1 ATOM 6027 H1 TIP3 1207 25.875 -26.889 -0.524 1.00 0.00 WAT1 ATOM 6028 H2 TIP3 1207 25.007 -26.288 -1.647 1.00 0.00 WAT1 ATOM 6029 OH2 TIP3 1208 24.588 -25.618 1.739 1.00 0.00 WAT1 ATOM 6030 H1 TIP3 1208 24.550 -25.867 0.790 1.00 0.00 WAT1 ATOM 6031 H2 TIP3 1208 23.742 -25.132 1.894 1.00 0.00 WAT1 ATOM 6032 OH2 TIP3 1209 19.206 -26.580 -0.611 1.00 0.00 WAT1 ATOM 6033 H1 TIP3 1209 19.331 -27.465 -0.993 1.00 0.00 WAT1 ATOM 6034 H2 TIP3 1209 20.109 -26.202 -0.590 1.00 0.00 WAT1 ATOM 6035 OH2 TIP3 1210 18.166 -25.736 -5.913 1.00 0.00 WAT1 ATOM 6036 H1 TIP3 1210 18.658 -26.184 -5.194 1.00 0.00 WAT1 ATOM 6037 H2 TIP3 1210 18.634 -26.003 -6.716 1.00 0.00 WAT1 ATOM 6038 OH2 TIP3 1211 19.708 -20.475 5.523 1.00 0.00 WAT1 ATOM 6039 H1 TIP3 1211 20.145 -20.053 6.298 1.00 0.00 WAT1 ATOM 6040 H2 TIP3 1211 20.430 -20.900 5.047 1.00 0.00 WAT1 ATOM 6041 OH2 TIP3 1212 21.515 -30.188 -7.084 1.00 0.00 WAT1 ATOM 6042 H1 TIP3 1212 21.385 -31.030 -6.599 1.00 0.00 WAT1 ATOM 6043 H2 TIP3 1212 22.265 -30.360 -7.658 1.00 0.00 WAT1 ATOM 6044 OH2 TIP3 1213 27.438 -26.975 0.209 1.00 0.00 WAT1 ATOM 6045 H1 TIP3 1213 27.573 -26.690 1.132 1.00 0.00 WAT1 ATOM 6046 H2 TIP3 1213 28.337 -26.963 -0.171 1.00 0.00 WAT1 ATOM 6047 OH2 TIP3 1214 25.492 -27.978 2.814 1.00 0.00 WAT1 ATOM 6048 H1 TIP3 1214 25.206 -27.104 2.463 1.00 0.00 WAT1 ATOM 6049 H2 TIP3 1214 25.790 -28.459 2.030 1.00 0.00 WAT1 ATOM 6050 OH2 TIP3 1215 30.125 -26.403 0.539 1.00 0.00 WAT1 ATOM 6051 H1 TIP3 1215 29.697 -26.231 1.397 1.00 0.00 WAT1 ATOM 6052 H2 TIP3 1215 31.065 -26.330 0.723 1.00 0.00 WAT1 ATOM 6053 OH2 TIP3 1216 17.213 -19.358 5.018 1.00 0.00 WAT1 ATOM 6054 H1 TIP3 1216 18.122 -19.722 4.963 1.00 0.00 WAT1 ATOM 6055 H2 TIP3 1216 16.974 -19.157 4.085 1.00 0.00 WAT1 ATOM 6056 OH2 TIP3 1217 26.287 -24.443 3.472 1.00 0.00 WAT1 ATOM 6057 H1 TIP3 1217 25.625 -24.851 2.862 1.00 0.00 WAT1 ATOM 6058 H2 TIP3 1217 26.392 -23.543 3.136 1.00 0.00 WAT1 ATOM 6059 OH2 TIP3 1218 18.600 -28.281 3.491 1.00 0.00 WAT1 ATOM 6060 H1 TIP3 1218 19.121 -28.725 2.810 1.00 0.00 WAT1 ATOM 6061 H2 TIP3 1218 17.704 -28.674 3.399 1.00 0.00 WAT1 ATOM 6062 OH2 TIP3 1219 21.786 -27.110 1.465 1.00 0.00 WAT1 ATOM 6063 H1 TIP3 1219 22.080 -27.871 0.919 1.00 0.00 WAT1 ATOM 6064 H2 TIP3 1219 21.812 -26.352 0.838 1.00 0.00 WAT1 ATOM 6065 OH2 TIP3 1220 19.814 -25.840 2.899 1.00 0.00 WAT1 ATOM 6066 H1 TIP3 1220 20.484 -26.246 2.311 1.00 0.00 WAT1 ATOM 6067 H2 TIP3 1220 19.359 -26.606 3.301 1.00 0.00 WAT1 ATOM 6068 OH2 TIP3 1221 22.948 -27.682 3.950 1.00 0.00 WAT1 ATOM 6069 H1 TIP3 1221 23.809 -27.983 3.606 1.00 0.00 WAT1 ATOM 6070 H2 TIP3 1221 22.450 -27.420 3.147 1.00 0.00 WAT1 ATOM 6071 OH2 TIP3 1222 25.729 -25.496 5.973 1.00 0.00 WAT1 ATOM 6072 H1 TIP3 1222 26.181 -24.934 6.614 1.00 0.00 WAT1 ATOM 6073 H2 TIP3 1222 25.912 -25.069 5.106 1.00 0.00 WAT1 ATOM 6074 OH2 TIP3 1223 28.310 -26.217 2.747 1.00 0.00 WAT1 ATOM 6075 H1 TIP3 1223 27.695 -25.522 3.058 1.00 0.00 WAT1 ATOM 6076 H2 TIP3 1223 28.251 -26.904 3.423 1.00 0.00 WAT1 ATOM 6077 OH2 TIP3 1224 23.903 -30.962 6.290 1.00 0.00 WAT1 ATOM 6078 H1 TIP3 1224 23.676 -31.924 6.249 1.00 0.00 WAT1 ATOM 6079 H2 TIP3 1224 24.453 -30.818 5.511 1.00 0.00 WAT1 ATOM 6080 OH2 TIP3 1225 23.172 -26.629 6.484 1.00 0.00 WAT1 ATOM 6081 H1 TIP3 1225 24.025 -26.152 6.448 1.00 0.00 WAT1 ATOM 6082 H2 TIP3 1225 23.009 -26.897 5.553 1.00 0.00 WAT1 ATOM 6083 OH2 TIP3 1226 16.510 -23.602 -2.253 1.00 0.00 WAT1 ATOM 6084 H1 TIP3 1226 15.977 -23.105 -2.894 1.00 0.00 WAT1 ATOM 6085 H2 TIP3 1226 16.601 -24.486 -2.659 1.00 0.00 WAT1 ATOM 6086 OH2 TIP3 1227 16.595 -28.535 -3.837 1.00 0.00 WAT1 ATOM 6087 H1 TIP3 1227 16.740 -29.440 -3.478 1.00 0.00 WAT1 ATOM 6088 H2 TIP3 1227 15.810 -28.639 -4.425 1.00 0.00 WAT1 ATOM 6089 OH2 TIP3 1228 20.359 -27.703 -6.546 1.00 0.00 WAT1 ATOM 6090 H1 TIP3 1228 19.999 -27.876 -5.656 1.00 0.00 WAT1 ATOM 6091 H2 TIP3 1228 20.731 -28.570 -6.826 1.00 0.00 WAT1 ATOM 6092 OH2 TIP3 1229 18.940 -31.953 -4.489 1.00 0.00 WAT1 ATOM 6093 H1 TIP3 1229 18.354 -31.561 -3.810 1.00 0.00 WAT1 ATOM 6094 H2 TIP3 1229 18.318 -32.414 -5.094 1.00 0.00 WAT1 ATOM 6095 OH2 TIP3 1230 23.660 -30.813 -1.870 1.00 0.00 WAT1 ATOM 6096 H1 TIP3 1230 24.247 -31.436 -2.313 1.00 0.00 WAT1 ATOM 6097 H2 TIP3 1230 22.787 -30.966 -2.288 1.00 0.00 WAT1 ATOM 6098 OH2 TIP3 1231 19.807 -24.990 22.770 1.00 0.00 WAT1 ATOM 6099 H1 TIP3 1231 19.256 -25.040 21.964 1.00 0.00 WAT1 ATOM 6100 H2 TIP3 1231 19.746 -25.872 23.152 1.00 0.00 WAT1 ATOM 6101 OH2 TIP3 1232 18.237 -22.170 15.134 1.00 0.00 WAT1 ATOM 6102 H1 TIP3 1232 17.618 -21.465 15.421 1.00 0.00 WAT1 ATOM 6103 H2 TIP3 1232 19.124 -21.814 15.343 1.00 0.00 WAT1 ATOM 6104 OH2 TIP3 1233 23.844 -26.086 14.807 1.00 0.00 WAT1 ATOM 6105 H1 TIP3 1233 23.857 -25.133 14.599 1.00 0.00 WAT1 ATOM 6106 H2 TIP3 1233 24.148 -26.510 13.994 1.00 0.00 WAT1 ATOM 6107 OH2 TIP3 1234 21.136 -29.262 17.998 1.00 0.00 WAT1 ATOM 6108 H1 TIP3 1234 20.333 -28.806 17.681 1.00 0.00 WAT1 ATOM 6109 H2 TIP3 1234 21.835 -28.982 17.361 1.00 0.00 WAT1 ATOM 6110 OH2 TIP3 1235 22.750 -28.323 16.010 1.00 0.00 WAT1 ATOM 6111 H1 TIP3 1235 22.735 -28.813 15.179 1.00 0.00 WAT1 ATOM 6112 H2 TIP3 1235 23.152 -27.459 15.770 1.00 0.00 WAT1 ATOM 6113 OH2 TIP3 1236 19.840 -17.723 9.463 1.00 0.00 WAT1 ATOM 6114 H1 TIP3 1236 18.856 -17.656 9.490 1.00 0.00 WAT1 ATOM 6115 H2 TIP3 1236 20.127 -17.239 10.242 1.00 0.00 WAT1 ATOM 6116 OH2 TIP3 1237 21.058 -32.069 15.576 1.00 0.00 WAT1 ATOM 6117 H1 TIP3 1237 21.715 -32.346 16.242 1.00 0.00 WAT1 ATOM 6118 H2 TIP3 1237 20.216 -32.047 16.061 1.00 0.00 WAT1 ATOM 6119 OH2 TIP3 1238 20.092 -24.462 16.295 1.00 0.00 WAT1 ATOM 6120 H1 TIP3 1238 20.299 -23.518 16.135 1.00 0.00 WAT1 ATOM 6121 H2 TIP3 1238 20.881 -24.807 16.728 1.00 0.00 WAT1 ATOM 6122 OH2 TIP3 1239 23.585 -20.554 17.529 1.00 0.00 WAT1 ATOM 6123 H1 TIP3 1239 24.285 -19.919 17.799 1.00 0.00 WAT1 ATOM 6124 H2 TIP3 1239 23.704 -20.646 16.564 1.00 0.00 WAT1 ATOM 6125 OH2 TIP3 1240 20.931 -23.781 13.187 1.00 0.00 WAT1 ATOM 6126 H1 TIP3 1240 20.921 -24.753 13.008 1.00 0.00 WAT1 ATOM 6127 H2 TIP3 1240 20.315 -23.671 13.925 1.00 0.00 WAT1 ATOM 6128 OH2 TIP3 1241 19.089 -20.974 19.887 1.00 0.00 WAT1 ATOM 6129 H1 TIP3 1241 19.873 -21.110 19.313 1.00 0.00 WAT1 ATOM 6130 H2 TIP3 1241 19.359 -21.348 20.751 1.00 0.00 WAT1 ATOM 6131 OH2 TIP3 1242 15.056 -19.636 13.344 1.00 0.00 WAT1 ATOM 6132 H1 TIP3 1242 15.803 -19.651 13.965 1.00 0.00 WAT1 ATOM 6133 H2 TIP3 1242 14.351 -20.128 13.811 1.00 0.00 WAT1 ATOM 6134 OH2 TIP3 1243 18.180 -31.732 16.420 1.00 0.00 WAT1 ATOM 6135 H1 TIP3 1243 18.228 -30.894 16.898 1.00 0.00 WAT1 ATOM 6136 H2 TIP3 1243 17.747 -31.501 15.580 1.00 0.00 WAT1 ATOM 6137 OH2 TIP3 1244 26.055 -28.184 5.547 1.00 0.00 WAT1 ATOM 6138 H1 TIP3 1244 25.904 -28.233 4.583 1.00 0.00 WAT1 ATOM 6139 H2 TIP3 1244 25.990 -27.227 5.750 1.00 0.00 WAT1 ATOM 6140 OH2 TIP3 1245 25.443 -18.813 18.439 1.00 0.00 WAT1 ATOM 6141 H1 TIP3 1245 25.576 -17.864 18.355 1.00 0.00 WAT1 ATOM 6142 H2 TIP3 1245 25.920 -19.051 19.239 1.00 0.00 WAT1 ATOM 6143 OH2 TIP3 1246 23.620 -23.565 13.579 1.00 0.00 WAT1 ATOM 6144 H1 TIP3 1246 22.640 -23.561 13.513 1.00 0.00 WAT1 ATOM 6145 H2 TIP3 1246 23.907 -24.009 12.757 1.00 0.00 WAT1 ATOM 6146 OH2 TIP3 1247 19.896 -22.323 22.136 1.00 0.00 WAT1 ATOM 6147 H1 TIP3 1247 20.316 -21.880 22.879 1.00 0.00 WAT1 ATOM 6148 H2 TIP3 1247 19.938 -23.279 22.373 1.00 0.00 WAT1 ATOM 6149 OH2 TIP3 1248 20.260 -24.734 7.980 1.00 0.00 WAT1 ATOM 6150 H1 TIP3 1248 20.910 -24.761 7.266 1.00 0.00 WAT1 ATOM 6151 H2 TIP3 1248 20.242 -23.788 8.253 1.00 0.00 WAT1 ATOM 6152 OH2 TIP3 1249 23.012 -28.228 12.647 1.00 0.00 WAT1 ATOM 6153 H1 TIP3 1249 23.394 -28.197 11.760 1.00 0.00 WAT1 ATOM 6154 H2 TIP3 1249 22.412 -29.011 12.625 1.00 0.00 WAT1 ATOM 6155 OH2 TIP3 1250 17.857 -25.518 9.033 1.00 0.00 WAT1 ATOM 6156 H1 TIP3 1250 18.121 -26.367 9.434 1.00 0.00 WAT1 ATOM 6157 H2 TIP3 1250 18.684 -25.178 8.630 1.00 0.00 WAT1 ATOM 6158 OH2 TIP3 1251 23.308 -25.198 11.334 1.00 0.00 WAT1 ATOM 6159 H1 TIP3 1251 23.767 -25.716 10.630 1.00 0.00 WAT1 ATOM 6160 H2 TIP3 1251 22.580 -25.778 11.617 1.00 0.00 WAT1 ATOM 6161 OH2 TIP3 1252 20.217 -22.079 8.651 1.00 0.00 WAT1 ATOM 6162 H1 TIP3 1252 20.532 -21.187 8.397 1.00 0.00 WAT1 ATOM 6163 H2 TIP3 1252 20.774 -22.316 9.432 1.00 0.00 WAT1 ATOM 6164 OH2 TIP3 1253 18.735 -28.066 10.108 1.00 0.00 WAT1 ATOM 6165 H1 TIP3 1253 18.658 -28.435 11.029 1.00 0.00 WAT1 ATOM 6166 H2 TIP3 1253 18.417 -28.785 9.542 1.00 0.00 WAT1 ATOM 6167 OH2 TIP3 1254 20.883 -21.862 15.788 1.00 0.00 WAT1 ATOM 6168 H1 TIP3 1254 20.984 -21.643 16.739 1.00 0.00 WAT1 ATOM 6169 H2 TIP3 1254 21.703 -21.517 15.376 1.00 0.00 WAT1 ATOM 6170 OH2 TIP3 1255 21.369 -21.647 18.493 1.00 0.00 WAT1 ATOM 6171 H1 TIP3 1255 22.190 -21.153 18.235 1.00 0.00 WAT1 ATOM 6172 H2 TIP3 1255 21.699 -22.410 18.979 1.00 0.00 WAT1 ATOM 6173 OH2 TIP3 1256 20.992 -19.530 7.804 1.00 0.00 WAT1 ATOM 6174 H1 TIP3 1256 21.898 -19.204 7.844 1.00 0.00 WAT1 ATOM 6175 H2 TIP3 1256 20.484 -18.893 8.370 1.00 0.00 WAT1 ATOM 6176 OH2 TIP3 1257 18.602 -28.030 17.831 1.00 0.00 WAT1 ATOM 6177 H1 TIP3 1257 18.130 -27.184 18.016 1.00 0.00 WAT1 ATOM 6178 H2 TIP3 1257 18.791 -28.393 18.718 1.00 0.00 WAT1 ATOM 6179 OH2 TIP3 1258 23.418 -21.110 14.775 1.00 0.00 WAT1 ATOM 6180 H1 TIP3 1258 23.623 -22.009 14.431 1.00 0.00 WAT1 ATOM 6181 H2 TIP3 1258 23.754 -20.517 14.095 1.00 0.00 WAT1 ATOM 6182 OH2 TIP3 1259 21.111 -27.112 9.060 1.00 0.00 WAT1 ATOM 6183 H1 TIP3 1259 20.373 -27.472 9.595 1.00 0.00 WAT1 ATOM 6184 H2 TIP3 1259 20.808 -26.218 8.803 1.00 0.00 WAT1 ATOM 6185 OH2 TIP3 1260 17.799 -21.268 7.394 1.00 0.00 WAT1 ATOM 6186 H1 TIP3 1260 18.350 -21.061 6.615 1.00 0.00 WAT1 ATOM 6187 H2 TIP3 1260 18.428 -21.659 8.030 1.00 0.00 WAT1 ATOM 6188 OH2 TIP3 1261 17.137 -17.442 9.687 1.00 0.00 WAT1 ATOM 6189 H1 TIP3 1261 16.353 -17.654 10.226 1.00 0.00 WAT1 ATOM 6190 H2 TIP3 1261 16.837 -17.573 8.763 1.00 0.00 WAT1 ATOM 6191 OH2 TIP3 1262 21.826 -22.960 10.634 1.00 0.00 WAT1 ATOM 6192 H1 TIP3 1262 21.384 -23.054 11.501 1.00 0.00 WAT1 ATOM 6193 H2 TIP3 1262 22.510 -23.656 10.644 1.00 0.00 WAT1 ATOM 6194 OH2 TIP3 1263 16.536 -17.681 7.016 1.00 0.00 WAT1 ATOM 6195 H1 TIP3 1263 16.328 -16.796 6.683 1.00 0.00 WAT1 ATOM 6196 H2 TIP3 1263 16.950 -18.137 6.249 1.00 0.00 WAT1 ATOM 6197 OH2 TIP3 1264 14.701 -18.081 11.093 1.00 0.00 WAT1 ATOM 6198 H1 TIP3 1264 14.893 -18.577 11.925 1.00 0.00 WAT1 ATOM 6199 H2 TIP3 1264 14.088 -17.367 11.375 1.00 0.00 WAT1 ATOM 6200 OH2 TIP3 1265 18.201 -24.234 20.651 1.00 0.00 WAT1 ATOM 6201 H1 TIP3 1265 17.417 -24.265 21.240 1.00 0.00 WAT1 ATOM 6202 H2 TIP3 1265 18.504 -23.314 20.706 1.00 0.00 WAT1 ATOM 6203 OH2 TIP3 1266 15.366 -28.510 20.348 1.00 0.00 WAT1 ATOM 6204 H1 TIP3 1266 14.648 -27.844 20.273 1.00 0.00 WAT1 ATOM 6205 H2 TIP3 1266 15.841 -28.439 19.510 1.00 0.00 WAT1 ATOM 6206 OH2 TIP3 1267 20.986 -26.433 12.746 1.00 0.00 WAT1 ATOM 6207 H1 TIP3 1267 20.205 -27.001 12.740 1.00 0.00 WAT1 ATOM 6208 H2 TIP3 1267 21.720 -27.037 12.991 1.00 0.00 WAT1 ATOM 6209 OH2 TIP3 1268 24.140 -26.776 9.301 1.00 0.00 WAT1 ATOM 6210 H1 TIP3 1268 23.430 -26.564 8.676 1.00 0.00 WAT1 ATOM 6211 H2 TIP3 1268 24.544 -27.592 8.932 1.00 0.00 WAT1 ATOM 6212 OH2 TIP3 1269 19.418 -29.124 20.231 1.00 0.00 WAT1 ATOM 6213 H1 TIP3 1269 19.268 -30.068 20.461 1.00 0.00 WAT1 ATOM 6214 H2 TIP3 1269 20.275 -29.128 19.761 1.00 0.00 WAT1 END