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: -1497.55, 109.109, 148.72, 69.5594, 667.082, -693.109, -1806.27, 6.62084, 0.741643 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 6.689803E-03,0.470974,1.21566,42.6162,5.382863E-03,0.256519 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 75, 17 REMARK =============================================================== REMARK DATE:10-Jun-2009 12:13:27 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 8.544 -22.120 10.605 1.00 14.33 ATOM 2 CB MET 1 8.212 -23.813 11.875 1.00 71.42 ATOM 3 HB1 MET 1 7.959 -24.506 11.084 1.00 37.96 ATOM 4 HB2 MET 1 7.616 -24.045 12.747 1.00 70.35 ATOM 5 CG MET 1 9.678 -24.014 12.233 1.00 73.31 ATOM 6 HG1 MET 1 9.824 -25.043 12.532 1.00 37.96 ATOM 7 HG2 MET 1 9.925 -23.364 13.060 1.00 44.25 ATOM 8 SD MET 1 10.795 -23.647 10.861 1.00 4.45 ATOM 9 CE MET 1 10.339 -24.914 9.677 1.00 4.42 ATOM 10 HE1 MET 1 10.954 -24.818 8.794 1.00 34.35 ATOM 11 HE2 MET 1 9.301 -24.797 9.407 1.00 41.25 ATOM 12 HE3 MET 1 10.489 -25.891 10.115 1.00 51.14 ATOM 13 C MET 1 6.436 -22.338 10.886 1.00 61.22 ATOM 14 O MET 1 6.202 -22.479 9.685 1.00 53.04 ATOM 15 N MET 1 8.098 -21.411 12.522 1.00 55.21 ATOM 16 HT1 MET 1 7.956 -20.438 12.178 1.00 37.96 ATOM 17 HT2 MET 1 9.068 -21.494 12.888 1.00 37.96 ATOM 18 HT3 MET 1 7.433 -21.587 13.305 1.00 37.96 ATOM 19 CA MET 1 7.878 -22.388 11.414 1.00 50.31 ATOM 20 N GLY 2 5.473 -22.147 11.786 1.00 22.03 ATOM 21 HN GLY 2 5.711 -22.056 12.732 1.00 37.96 ATOM 22 CA GLY 2 4.066 -22.091 11.394 1.00 12.12 ATOM 23 HA1 GLY 2 3.475 -22.539 12.180 1.00 37.96 ATOM 24 HA2 GLY 2 3.930 -22.669 10.491 1.00 52.53 ATOM 25 C GLY 2 3.548 -20.674 11.145 1.00 41.41 ATOM 26 O GLY 2 2.395 -20.502 10.753 1.00 3.05 ATOM 27 N HIS 3 4.391 -19.657 11.380 1.00 74.13 ATOM 28 HN HIS 3 5.290 -19.853 11.716 1.00 37.96 ATOM 29 CA HIS 3 3.997 -18.256 11.144 1.00 63.02 ATOM 30 HA HIS 3 3.173 -18.034 11.809 1.00 1.32 ATOM 31 CB HIS 3 5.153 -17.291 11.452 1.00 64.41 ATOM 32 HB1 HIS 3 4.864 -16.290 11.164 1.00 37.96 ATOM 33 HB2 HIS 3 6.020 -17.584 10.879 1.00 21.43 ATOM 34 CG HIS 3 5.549 -17.255 12.896 1.00 61.33 ATOM 35 ND1 HIS 3 6.785 -17.654 13.352 1.00 4.32 ATOM 36 HD1 HIS 3 7.520 -17.997 12.799 1.00 51.51 ATOM 37 CD2 HIS 3 4.868 -16.843 13.991 1.00 55.01 ATOM 38 HD2 HIS 3 3.855 -16.464 14.012 1.00 43.44 ATOM 39 CE1 HIS 3 6.845 -17.491 14.658 1.00 74.20 ATOM 40 HE1 HIS 3 7.692 -17.724 15.286 1.00 3.12 ATOM 41 NE2 HIS 3 5.698 -17.000 15.067 1.00 14.24 ATOM 42 HE2 HIS 3 5.432 -16.903 16.008 1.00 37.96 ATOM 43 C HIS 3 3.519 -18.057 9.699 1.00 71.34 ATOM 44 O HIS 3 4.323 -17.869 8.784 1.00 1.04 ATOM 45 N HIS 4 2.204 -18.108 9.507 1.00 14.32 ATOM 46 HN HIS 4 1.614 -18.200 10.288 1.00 37.96 ATOM 47 CA HIS 4 1.612 -18.071 8.170 1.00 74.25 ATOM 48 HA HIS 4 2.086 -18.851 7.588 1.00 70.42 ATOM 49 CB HIS 4 0.112 -18.377 8.257 1.00 52.04 ATOM 50 HB1 HIS 4 -0.387 -17.566 8.767 1.00 37.96 ATOM 51 HB2 HIS 4 -0.032 -19.290 8.816 1.00 61.14 ATOM 52 CG HIS 4 -0.538 -18.550 6.921 1.00 14.13 ATOM 53 ND1 HIS 4 -0.873 -17.494 6.103 1.00 74.22 ATOM 54 HD1 HIS 4 -0.733 -16.540 6.307 1.00 13.53 ATOM 55 CD2 HIS 4 -0.904 -19.668 6.252 1.00 53.24 ATOM 56 HD2 HIS 4 -0.791 -20.687 6.593 1.00 23.13 ATOM 57 CE1 HIS 4 -1.416 -17.950 4.996 1.00 73.51 ATOM 58 HE1 HIS 4 -1.778 -17.349 4.175 1.00 12.32 ATOM 59 NE2 HIS 4 -1.447 -19.265 5.060 1.00 52.34 ATOM 60 HE2 HIS 4 -1.956 -19.840 4.450 1.00 37.96 ATOM 61 C HIS 4 1.837 -16.723 7.452 1.00 63.31 ATOM 62 O HIS 4 0.994 -15.829 7.506 1.00 43.50 ATOM 63 N HIS 5 2.993 -16.586 6.806 1.00 32.02 ATOM 64 HN HIS 5 3.684 -17.275 6.932 1.00 37.96 ATOM 65 CA HIS 5 3.291 -15.445 5.925 1.00 2.30 ATOM 66 HA HIS 5 2.360 -15.109 5.487 1.00 2.30 ATOM 67 CB HIS 5 3.933 -14.282 6.704 1.00 4.43 ATOM 68 HB1 HIS 5 4.245 -13.520 6.003 1.00 37.96 ATOM 69 HB2 HIS 5 4.803 -14.652 7.226 1.00 71.55 ATOM 70 CG HIS 5 3.035 -13.632 7.721 1.00 40.12 ATOM 71 ND1 HIS 5 3.298 -13.644 9.074 1.00 74.30 ATOM 72 HD1 HIS 5 4.076 -14.065 9.501 1.00 44.24 ATOM 73 CD2 HIS 5 1.886 -12.922 7.576 1.00 54.21 ATOM 74 HD2 HIS 5 1.380 -12.703 6.645 1.00 1.11 ATOM 75 CE1 HIS 5 2.358 -12.978 9.715 1.00 52.13 ATOM 76 HE1 HIS 5 2.311 -12.823 10.783 1.00 31.00 ATOM 77 NE2 HIS 5 1.489 -12.527 8.833 1.00 53.54 ATOM 78 HE2 HIS 5 0.804 -11.850 9.022 1.00 37.96 ATOM 79 C HIS 5 4.237 -15.884 4.795 1.00 30.53 ATOM 80 O HIS 5 4.938 -16.885 4.924 1.00 72.42 ATOM 81 N HIS 6 4.246 -15.130 3.691 1.00 24.24 ATOM 82 HN HIS 6 3.635 -14.364 3.637 1.00 37.96 ATOM 83 CA HIS 6 5.133 -15.410 2.546 1.00 15.11 ATOM 84 HA HIS 6 4.959 -14.640 1.809 1.00 32.21 ATOM 85 CB HIS 6 6.606 -15.354 2.979 1.00 43.30 ATOM 86 HB1 HIS 6 7.233 -15.469 2.105 1.00 37.96 ATOM 87 HB2 HIS 6 6.806 -16.165 3.665 1.00 4.30 ATOM 88 CG HIS 6 6.992 -14.075 3.655 1.00 35.22 ATOM 89 ND1 HIS 6 7.192 -13.972 5.015 1.00 44.20 ATOM 90 HD1 HIS 6 7.106 -14.702 5.664 1.00 21.31 ATOM 91 CD2 HIS 6 7.221 -12.841 3.153 1.00 42.21 ATOM 92 HD2 HIS 6 7.161 -12.550 2.113 1.00 51.41 ATOM 93 CE1 HIS 6 7.524 -12.734 5.318 1.00 23.11 ATOM 94 HE1 HIS 6 7.740 -12.362 6.309 1.00 60.11 ATOM 95 NE2 HIS 6 7.549 -12.028 4.209 1.00 42.00 ATOM 96 HE2 HIS 6 7.607 -11.047 4.171 1.00 37.96 ATOM 97 C HIS 6 4.838 -16.778 1.902 1.00 4.33 ATOM 98 O HIS 6 5.723 -17.393 1.302 1.00 23.21 ATOM 99 N HIS 7 3.590 -17.239 2.001 1.00 12.45 ATOM 100 HN HIS 7 2.904 -16.672 2.419 1.00 37.96 ATOM 101 CA HIS 7 3.217 -18.563 1.488 1.00 20.43 ATOM 102 HA HIS 7 3.851 -19.289 1.981 1.00 74.43 ATOM 103 CB HIS 7 1.754 -18.888 1.822 1.00 41.12 ATOM 104 HB1 HIS 7 1.112 -18.165 1.337 1.00 37.96 ATOM 105 HB2 HIS 7 1.614 -18.825 2.891 1.00 73.21 ATOM 106 CG HIS 7 1.331 -20.262 1.376 1.00 13.43 ATOM 107 ND1 HIS 7 0.642 -20.505 0.202 1.00 23.21 ATOM 108 HD1 HIS 7 0.356 -19.830 -0.450 1.00 24.33 ATOM 109 CD2 HIS 7 1.511 -21.475 1.954 1.00 20.32 ATOM 110 HD2 HIS 7 2.012 -21.671 2.891 1.00 54.33 ATOM 111 CE1 HIS 7 0.422 -21.800 0.082 1.00 13.24 ATOM 112 HE1 HIS 7 -0.094 -22.280 -0.737 1.00 24.55 ATOM 113 NE2 HIS 7 0.939 -22.408 1.128 1.00 3.01 ATOM 114 HE2 HIS 7 0.878 -23.371 1.309 1.00 37.96 ATOM 115 C HIS 7 3.440 -18.675 -0.030 1.00 72.14 ATOM 116 O HIS 7 2.582 -18.288 -0.827 1.00 43.21 ATOM 117 N HIS 8 4.604 -19.187 -0.415 1.00 1.23 ATOM 118 HN HIS 8 5.282 -19.384 0.264 1.00 37.96 ATOM 119 CA HIS 8 4.911 -19.448 -1.824 1.00 14.10 ATOM 120 HA HIS 8 4.617 -18.579 -2.397 1.00 35.04 ATOM 121 CB HIS 8 6.417 -19.681 -2.000 1.00 41.23 ATOM 122 HB1 HIS 8 6.629 -19.864 -3.044 1.00 37.96 ATOM 123 HB2 HIS 8 6.712 -20.545 -1.423 1.00 73.32 ATOM 124 CG HIS 8 7.260 -18.524 -1.553 1.00 33.52 ATOM 125 ND1 HIS 8 8.082 -18.568 -0.447 1.00 44.34 ATOM 126 HD1 HIS 8 8.198 -19.337 0.156 1.00 23.31 ATOM 127 CD2 HIS 8 7.413 -17.285 -2.079 1.00 65.12 ATOM 128 HD2 HIS 8 6.917 -16.895 -2.956 1.00 70.14 ATOM 129 CE1 HIS 8 8.699 -17.413 -0.312 1.00 21.43 ATOM 130 HE1 HIS 8 9.400 -17.162 0.470 1.00 12.34 ATOM 131 NE2 HIS 8 8.315 -16.616 -1.288 1.00 2.24 ATOM 132 HE2 HIS 8 8.790 -15.798 -1.556 1.00 37.96 ATOM 133 C HIS 8 4.126 -20.667 -2.329 1.00 12.53 ATOM 134 O HIS 8 4.112 -21.715 -1.681 1.00 3.14 ATOM 135 N SER 9 3.466 -20.526 -3.474 1.00 53.23 ATOM 136 HN SER 9 3.505 -19.668 -3.949 1.00 37.96 ATOM 137 CA SER 9 2.680 -21.630 -4.041 1.00 55.42 ATOM 138 HA SER 9 2.169 -22.123 -3.224 1.00 12.13 ATOM 139 CB SER 9 1.630 -21.102 -5.030 1.00 12.34 ATOM 140 HB1 SER 9 2.125 -20.728 -5.916 1.00 37.96 ATOM 141 HB2 SER 9 1.072 -20.301 -4.567 1.00 70.44 ATOM 142 OG SER 9 0.724 -22.128 -5.410 1.00 64.34 ATOM 143 HG SER 9 0.323 -21.907 -6.262 1.00 14.10 ATOM 144 C SER 9 3.585 -22.657 -4.739 1.00 42.21 ATOM 145 O SER 9 4.794 -22.460 -4.859 1.00 42.25 ATOM 146 N HIS 10 2.997 -23.758 -5.195 1.00 11.10 ATOM 147 HN HIS 10 2.024 -23.855 -5.096 1.00 37.96 ATOM 148 CA HIS 10 3.761 -24.819 -5.859 1.00 13.20 ATOM 149 HA HIS 10 4.811 -24.654 -5.650 1.00 14.14 ATOM 150 CB HIS 10 3.360 -26.189 -5.302 1.00 61.20 ATOM 151 HB1 HIS 10 3.925 -26.958 -5.809 1.00 37.96 ATOM 152 HB2 HIS 10 2.306 -26.348 -5.482 1.00 33.24 ATOM 153 CG HIS 10 3.605 -26.333 -3.827 1.00 2.42 ATOM 154 ND1 HIS 10 2.626 -26.137 -2.880 1.00 72.02 ATOM 155 HD1 HIS 10 1.692 -25.898 -3.062 1.00 43.21 ATOM 156 CD2 HIS 10 4.727 -26.657 -3.139 1.00 33.33 ATOM 157 HD2 HIS 10 5.695 -26.883 -3.561 1.00 24.14 ATOM 158 CE1 HIS 10 3.130 -26.329 -1.680 1.00 33.32 ATOM 159 HE1 HIS 10 2.590 -26.244 -0.749 1.00 12.33 ATOM 160 NE2 HIS 10 4.402 -26.649 -1.805 1.00 14.13 ATOM 161 HE2 HIS 10 4.940 -27.056 -1.097 1.00 37.96 ATOM 162 C HIS 10 3.556 -24.791 -7.382 1.00 41.11 ATOM 163 O HIS 10 2.424 -24.788 -7.869 1.00 23.11 ATOM 164 N MET 11 4.659 -24.770 -8.123 1.00 15.23 ATOM 165 HN MET 11 5.531 -24.747 -7.672 1.00 37.96 ATOM 166 CA MET 11 4.618 -24.787 -9.591 1.00 11.11 ATOM 167 HA MET 11 3.856 -24.093 -9.917 1.00 52.31 ATOM 168 CB MET 11 5.977 -24.338 -10.145 1.00 60.53 ATOM 169 HB1 MET 11 5.968 -24.445 -11.222 1.00 37.96 ATOM 170 HB2 MET 11 6.748 -24.978 -9.739 1.00 41.12 ATOM 171 CG MET 11 6.340 -22.897 -9.816 1.00 41.45 ATOM 172 HG1 MET 11 6.293 -22.762 -8.745 1.00 37.96 ATOM 173 HG2 MET 11 5.630 -22.236 -10.294 1.00 2.34 ATOM 174 SD MET 11 7.999 -22.469 -10.380 1.00 74.41 ATOM 175 CE MET 11 7.895 -22.943 -12.107 1.00 3.11 ATOM 176 HE1 MET 11 7.091 -22.400 -12.581 1.00 50.13 ATOM 177 HE2 MET 11 7.706 -24.005 -12.177 1.00 30.43 ATOM 178 HE3 MET 11 8.827 -22.711 -12.601 1.00 61.20 ATOM 179 C MET 11 4.282 -26.193 -10.127 1.00 75.44 ATOM 180 O MET 11 4.322 -27.173 -9.376 1.00 23.44 ATOM 181 N PRO 12 3.925 -26.313 -11.428 1.00 24.13 ATOM 182 CA PRO 12 3.737 -27.622 -12.077 1.00 53.52 ATOM 183 HA PRO 12 2.817 -28.092 -11.752 1.00 3.45 ATOM 184 CB PRO 12 3.633 -27.264 -13.565 1.00 4.01 ATOM 185 HB1 PRO 12 2.979 -27.963 -14.067 1.00 37.96 ATOM 186 HB2 PRO 12 4.616 -27.292 -14.020 1.00 15.33 ATOM 187 CG PRO 12 3.065 -25.886 -13.570 1.00 41.14 ATOM 188 HG1 PRO 12 1.987 -25.931 -13.498 1.00 37.96 ATOM 189 HG2 PRO 12 3.359 -25.372 -14.474 1.00 43.31 ATOM 190 CD PRO 12 3.642 -25.197 -12.358 1.00 60.14 ATOM 191 HD1 PRO 12 2.921 -24.515 -11.931 1.00 37.96 ATOM 192 HD2 PRO 12 4.551 -24.673 -12.619 1.00 12.12 ATOM 193 C PRO 12 4.915 -28.575 -11.815 1.00 41.42 ATOM 194 O PRO 12 6.012 -28.405 -12.354 1.00 22.31 ATOM 195 N ASP 13 4.680 -29.562 -10.960 1.00 3.40 ATOM 196 HN ASP 13 3.776 -29.663 -10.593 1.00 37.96 ATOM 197 CA ASP 13 5.719 -30.503 -10.537 1.00 65.35 ATOM 198 HA ASP 13 6.643 -29.955 -10.424 1.00 4.15 ATOM 199 CB ASP 13 5.324 -31.089 -9.183 1.00 14.01 ATOM 200 HB1 ASP 13 5.299 -30.297 -8.447 1.00 37.96 ATOM 201 HB2 ASP 13 6.057 -31.826 -8.886 1.00 65.34 ATOM 202 CG ASP 13 3.956 -31.747 -9.235 1.00 64.03 ATOM 203 OD1 ASP 13 3.890 -32.974 -9.434 1.00 42.31 ATOM 204 OD2 ASP 13 2.942 -31.025 -9.113 1.00 12.12 ATOM 205 C ASP 13 5.931 -31.625 -11.571 1.00 20.21 ATOM 206 O ASP 13 5.476 -31.527 -12.709 1.00 62.34 ATOM 207 N HIS 14 6.639 -32.684 -11.175 1.00 54.15 ATOM 208 HN HIS 14 6.997 -32.704 -10.264 1.00 37.96 ATOM 209 CA HIS 14 6.874 -33.835 -12.058 1.00 24.21 ATOM 210 HA HIS 14 6.380 -33.629 -12.999 1.00 64.21 ATOM 211 CB HIS 14 8.375 -34.022 -12.328 1.00 15.44 ATOM 212 HB1 HIS 14 8.538 -34.991 -12.779 1.00 37.96 ATOM 213 HB2 HIS 14 8.914 -33.970 -11.393 1.00 30.44 ATOM 214 CG HIS 14 8.946 -32.985 -13.245 1.00 2.33 ATOM 215 ND1 HIS 14 9.018 -33.151 -14.610 1.00 64.45 ATOM 216 HD1 HIS 14 8.725 -33.946 -15.107 1.00 74.13 ATOM 217 CD2 HIS 14 9.461 -31.760 -12.992 1.00 60.42 ATOM 218 HD2 HIS 14 9.571 -31.298 -12.020 1.00 51.31 ATOM 219 CE1 HIS 14 9.549 -32.077 -15.156 1.00 32.34 ATOM 220 HE1 HIS 14 9.726 -31.926 -16.211 1.00 60.32 ATOM 221 NE2 HIS 14 9.827 -31.218 -14.197 1.00 34.02 ATOM 222 HE2 HIS 14 10.357 -30.398 -14.313 1.00 37.96 ATOM 223 C HIS 14 6.266 -35.118 -11.476 1.00 62.34 ATOM 224 O HIS 14 6.970 -35.960 -10.914 1.00 12.42 ATOM 225 N GLY 15 4.948 -35.237 -11.597 1.00 43.14 ATOM 226 HN GLY 15 4.441 -34.504 -12.001 1.00 37.96 ATOM 227 CA GLY 15 4.245 -36.425 -11.132 1.00 72.05 ATOM 228 HA1 GLY 15 3.857 -36.237 -10.141 1.00 37.96 ATOM 229 HA2 GLY 15 4.940 -37.253 -11.085 1.00 73.22 ATOM 230 C GLY 15 3.089 -36.804 -12.052 1.00 52.40 ATOM 231 O GLY 15 3.249 -37.625 -12.955 1.00 40.32 ATOM 232 N ASP 16 1.933 -36.176 -11.850 1.00 35.23 ATOM 233 HN ASP 16 1.881 -35.490 -11.153 1.00 37.96 ATOM 234 CA ASP 16 0.743 -36.469 -12.650 1.00 65.01 ATOM 235 HA ASP 16 0.672 -37.544 -12.750 1.00 42.02 ATOM 236 CB ASP 16 -0.510 -35.962 -11.926 1.00 12.54 ATOM 237 HB1 ASP 16 -0.437 -34.890 -11.800 1.00 37.96 ATOM 238 HB2 ASP 16 -0.568 -36.429 -10.951 1.00 24.41 ATOM 239 CG ASP 16 -1.785 -36.278 -12.684 1.00 25.41 ATOM 240 OD1 ASP 16 -2.193 -37.454 -12.705 1.00 73.15 ATOM 241 OD2 ASP 16 -2.394 -35.350 -13.254 1.00 23.13 ATOM 242 C ASP 16 0.849 -35.855 -14.059 1.00 23.21 ATOM 243 O ASP 16 0.319 -34.772 -14.329 1.00 24.00 ATOM 244 N TRP 17 1.576 -36.538 -14.941 1.00 61.42 ATOM 245 HN TRP 17 2.033 -37.353 -14.640 1.00 37.96 ATOM 246 CA TRP 17 1.728 -36.104 -16.339 1.00 22.35 ATOM 247 HA TRP 17 0.942 -35.393 -16.551 1.00 21.11 ATOM 248 CB TRP 17 3.090 -35.413 -16.551 1.00 32.25 ATOM 249 HB1 TRP 17 3.233 -35.232 -17.608 1.00 37.96 ATOM 250 HB2 TRP 17 3.875 -36.066 -16.198 1.00 20.12 ATOM 251 CG TRP 17 3.224 -34.097 -15.832 1.00 71.43 ATOM 252 CD1 TRP 17 3.589 -33.901 -14.530 1.00 65.55 ATOM 253 HD1 TRP 17 3.830 -34.695 -13.838 1.00 75.10 ATOM 254 CD2 TRP 17 3.001 -32.793 -16.384 1.00 12.13 ATOM 255 NE1 TRP 17 3.590 -32.559 -14.238 1.00 31.13 ATOM 256 HE1 TRP 17 3.813 -32.165 -13.368 1.00 3.51 ATOM 257 CE2 TRP 17 3.236 -31.859 -15.359 1.00 5.01 ATOM 258 CE3 TRP 17 2.620 -32.325 -17.645 1.00 12.14 ATOM 259 HE3 TRP 17 2.431 -33.008 -18.461 1.00 45.51 ATOM 260 CZ2 TRP 17 3.106 -30.487 -15.555 1.00 4.12 ATOM 261 HZ2 TRP 17 3.289 -29.776 -14.762 1.00 74.13 ATOM 262 CZ3 TRP 17 2.492 -30.962 -17.840 1.00 2.34 ATOM 263 HZ3 TRP 17 2.200 -30.584 -18.809 1.00 43.53 ATOM 264 CH2 TRP 17 2.734 -30.057 -16.800 1.00 51.43 ATOM 265 HH2 TRP 17 2.621 -29.000 -16.996 1.00 31.24 ATOM 266 C TRP 17 1.579 -37.289 -17.306 1.00 32.04 ATOM 267 O TRP 17 0.518 -37.489 -17.904 1.00 1.52 ATOM 268 N THR 18 2.645 -38.075 -17.454 1.00 74.43 ATOM 269 HN THR 18 3.474 -37.845 -16.983 1.00 37.96 ATOM 270 CA THR 18 2.628 -39.271 -18.314 1.00 51.04 ATOM 271 HA THR 18 1.740 -39.233 -18.932 1.00 35.21 ATOM 272 CB THR 18 3.868 -39.315 -19.240 1.00 32.13 ATOM 273 HB THR 18 3.800 -40.195 -19.865 1.00 14.30 ATOM 274 OG1 THR 18 5.068 -39.393 -18.457 1.00 51.13 ATOM 275 HG1 THR 18 5.752 -39.841 -18.969 1.00 73.04 ATOM 276 CG2 THR 18 3.931 -38.084 -20.139 1.00 21.13 ATOM 277 HG21 THR 18 3.947 -37.192 -19.530 1.00 40.44 ATOM 278 HG22 THR 18 3.064 -38.063 -20.785 1.00 43.10 ATOM 279 HG23 THR 18 4.826 -38.124 -20.742 1.00 24.40 ATOM 280 C THR 18 2.591 -40.555 -17.474 1.00 51.34 ATOM 281 O THR 18 2.740 -41.663 -17.994 1.00 72.45 ATOM 282 N TYR 19 2.383 -40.387 -16.171 1.00 75.44 ATOM 283 HN TYR 19 2.231 -39.480 -15.835 1.00 37.96 ATOM 284 CA TYR 19 2.368 -41.498 -15.215 1.00 21.43 ATOM 285 HA TYR 19 1.836 -42.322 -15.671 1.00 41.12 ATOM 286 CB TYR 19 3.810 -41.944 -14.896 1.00 32.15 ATOM 287 HB1 TYR 19 4.236 -42.408 -15.776 1.00 37.96 ATOM 288 HB2 TYR 19 3.788 -42.667 -14.094 1.00 13.51 ATOM 289 CG TYR 19 4.732 -40.804 -14.475 1.00 74.25 ATOM 290 CD1 TYR 19 4.917 -40.477 -13.133 1.00 32.01 ATOM 291 HD1 TYR 19 4.400 -41.050 -12.376 1.00 51.33 ATOM 292 CD2 TYR 19 5.411 -40.049 -15.429 1.00 34.32 ATOM 293 HD2 TYR 19 5.283 -40.287 -16.475 1.00 15.25 ATOM 294 CE1 TYR 19 5.747 -39.435 -12.759 1.00 1.25 ATOM 295 HE1 TYR 19 5.878 -39.197 -11.713 1.00 44.40 ATOM 296 CE2 TYR 19 6.242 -39.009 -15.061 1.00 13.02 ATOM 297 HE2 TYR 19 6.756 -38.435 -15.820 1.00 33.03 ATOM 298 CZ TYR 19 6.405 -38.704 -13.728 1.00 3.53 ATOM 299 OH TYR 19 7.231 -37.663 -13.363 1.00 72.04 ATOM 300 HH TYR 19 7.656 -37.873 -12.524 1.00 22.21 ATOM 301 C TYR 19 1.635 -41.090 -13.926 1.00 54.21 ATOM 302 O TYR 19 1.711 -39.936 -13.504 1.00 34.23 ATOM 303 N GLU 20 0.913 -42.029 -13.316 1.00 52.54 ATOM 304 HN GLU 20 0.850 -42.922 -13.718 1.00 37.96 ATOM 305 CA GLU 20 0.203 -41.759 -12.057 1.00 54.31 ATOM 306 HA GLU 20 0.798 -41.048 -11.497 1.00 44.23 ATOM 307 CB GLU 20 -1.172 -41.129 -12.336 1.00 62.31 ATOM 308 HB1 GLU 20 -1.026 -40.216 -12.896 1.00 37.96 ATOM 309 HB2 GLU 20 -1.640 -40.885 -11.393 1.00 33.44 ATOM 310 CG GLU 20 -2.126 -42.020 -13.122 1.00 15.40 ATOM 311 HG1 GLU 20 -2.328 -42.910 -12.541 1.00 37.96 ATOM 312 HG2 GLU 20 -1.652 -42.303 -14.052 1.00 63.34 ATOM 313 CD GLU 20 -3.448 -41.331 -13.433 1.00 14.31 ATOM 314 OE1 GLU 20 -3.678 -40.970 -14.607 1.00 55.31 ATOM 315 OE2 GLU 20 -4.258 -41.131 -12.507 1.00 0.30 ATOM 316 C GLU 20 0.062 -43.032 -11.200 1.00 53.15 ATOM 317 O GLU 20 0.604 -44.087 -11.546 1.00 61.31 ATOM 318 N GLU 21 -0.674 -42.924 -10.087 1.00 23.24 ATOM 319 HN GLU 21 -1.203 -42.112 -9.949 1.00 37.96 ATOM 320 CA GLU 21 -0.739 -43.990 -9.073 1.00 55.20 ATOM 321 HA GLU 21 -1.337 -43.609 -8.257 1.00 4.34 ATOM 322 CB GLU 21 -1.420 -45.259 -9.626 1.00 61.43 ATOM 323 HB1 GLU 21 -1.060 -46.117 -9.073 1.00 37.96 ATOM 324 HB2 GLU 21 -1.143 -45.376 -10.664 1.00 43.05 ATOM 325 CG GLU 21 -2.946 -45.248 -9.541 1.00 74.22 ATOM 326 HG1 GLU 21 -3.235 -45.080 -8.512 1.00 37.96 ATOM 327 HG2 GLU 21 -3.315 -46.213 -9.858 1.00 30.42 ATOM 328 CD GLU 21 -3.590 -44.179 -10.407 1.00 45.44 ATOM 329 OE1 GLU 21 -3.855 -43.069 -9.894 1.00 22.23 ATOM 330 OE2 GLU 21 -3.843 -44.455 -11.602 1.00 43.32 ATOM 331 C GLU 21 0.654 -44.336 -8.515 1.00 72.13 ATOM 332 O GLU 21 1.642 -43.652 -8.792 1.00 4.01 ATOM 333 N GLN 22 0.717 -45.387 -7.704 1.00 15.42 ATOM 334 HN GLN 22 -0.111 -45.850 -7.463 1.00 37.96 ATOM 335 CA GLN 22 1.985 -45.862 -7.148 1.00 4.40 ATOM 336 HA GLN 22 2.414 -45.061 -6.561 1.00 51.51 ATOM 337 CB GLN 22 1.739 -47.072 -6.238 1.00 45.02 ATOM 338 HB1 GLN 22 1.293 -47.863 -6.826 1.00 37.96 ATOM 339 HB2 GLN 22 1.049 -46.787 -5.457 1.00 31.42 ATOM 340 CG GLN 22 3.002 -47.619 -5.581 1.00 73.03 ATOM 341 HG1 GLN 22 3.329 -46.921 -4.823 1.00 37.96 ATOM 342 HG2 GLN 22 3.774 -47.718 -6.332 1.00 63.03 ATOM 343 CD GLN 22 2.780 -48.973 -4.931 1.00 52.00 ATOM 344 OE1 GLN 22 2.412 -49.067 -3.765 1.00 41.10 ATOM 345 NE2 GLN 22 2.994 -50.033 -5.683 1.00 64.31 ATOM 346 HE21 GLN 22 3.279 -49.896 -6.611 1.00 64.11 ATOM 347 HE22 GLN 22 2.870 -50.915 -5.278 1.00 64.04 ATOM 348 C GLN 22 2.967 -46.249 -8.266 1.00 30.54 ATOM 349 O GLN 22 2.868 -47.332 -8.845 1.00 33.44 ATOM 350 N PHE 23 3.890 -45.352 -8.595 1.00 41.12 ATOM 351 HN PHE 23 3.880 -44.475 -8.160 1.00 37.96 ATOM 352 CA PHE 23 4.909 -45.646 -9.607 1.00 42.13 ATOM 353 HA PHE 23 4.468 -46.357 -10.294 1.00 2.30 ATOM 354 CB PHE 23 5.277 -44.380 -10.408 1.00 65.44 ATOM 355 HB1 PHE 23 4.503 -44.198 -11.142 1.00 37.96 ATOM 356 HB2 PHE 23 6.208 -44.553 -10.926 1.00 2.12 ATOM 357 CG PHE 23 5.439 -43.123 -9.586 1.00 44.22 ATOM 358 CD1 PHE 23 6.595 -42.893 -8.858 1.00 51.12 ATOM 359 HD1 PHE 23 7.381 -43.634 -8.866 1.00 54.10 ATOM 360 CD2 PHE 23 4.438 -42.160 -9.564 1.00 2.55 ATOM 361 HD2 PHE 23 3.529 -42.327 -10.126 1.00 62.02 ATOM 362 CE1 PHE 23 6.751 -41.732 -8.125 1.00 65.43 ATOM 363 HE1 PHE 23 7.659 -41.566 -7.562 1.00 72.14 ATOM 364 CE2 PHE 23 4.587 -41.000 -8.829 1.00 32.41 ATOM 365 HE2 PHE 23 3.799 -40.261 -8.819 1.00 74.03 ATOM 366 CZ PHE 23 5.746 -40.785 -8.110 1.00 42.21 ATOM 367 HZ PHE 23 5.867 -39.877 -7.537 1.00 62.51 ATOM 368 C PHE 23 6.155 -46.314 -8.990 1.00 20.31 ATOM 369 O PHE 23 6.494 -46.091 -7.823 1.00 52.13 ATOM 370 N LYS 24 6.838 -47.119 -9.807 1.00 34.24 ATOM 371 HN LYS 24 6.603 -47.120 -10.761 1.00 37.96 ATOM 372 CA LYS 24 7.925 -48.006 -9.353 1.00 24.31 ATOM 373 HA LYS 24 7.496 -48.723 -8.668 1.00 31.13 ATOM 374 CB LYS 24 8.490 -48.765 -10.564 1.00 34.43 ATOM 375 HB1 LYS 24 8.963 -48.054 -11.229 1.00 37.96 ATOM 376 HB2 LYS 24 7.672 -49.238 -11.090 1.00 71.22 ATOM 377 CG LYS 24 9.513 -49.843 -10.216 1.00 75.42 ATOM 378 HG1 LYS 24 10.298 -49.398 -9.619 1.00 37.96 ATOM 379 HG2 LYS 24 9.937 -50.228 -11.131 1.00 62.24 ATOM 380 CD LYS 24 8.890 -50.997 -9.436 1.00 43.30 ATOM 381 HD1 LYS 24 8.050 -51.385 -9.995 1.00 37.96 ATOM 382 HD2 LYS 24 8.548 -50.630 -8.478 1.00 24.53 ATOM 383 CE LYS 24 9.892 -52.124 -9.203 1.00 14.22 ATOM 384 HE1 LYS 24 9.401 -52.922 -8.663 1.00 37.96 ATOM 385 HE2 LYS 24 10.712 -51.744 -8.609 1.00 41.11 ATOM 386 NZ LYS 24 10.433 -52.666 -10.482 1.00 35.24 ATOM 387 HZ1 LYS 24 11.111 -53.431 -10.288 1.00 63.51 ATOM 388 HZ2 LYS 24 10.921 -51.918 -11.014 1.00 14.45 ATOM 389 HZ3 LYS 24 9.659 -53.043 -11.067 1.00 21.21 ATOM 390 C LYS 24 9.062 -47.258 -8.625 1.00 22.40 ATOM 391 O LYS 24 9.850 -47.868 -7.891 1.00 45.24 ATOM 392 N GLN 25 9.131 -45.940 -8.813 1.00 12.32 ATOM 393 HN GLN 25 8.448 -45.506 -9.364 1.00 37.96 ATOM 394 CA GLN 25 10.197 -45.120 -8.224 1.00 25.24 ATOM 395 HA GLN 25 11.120 -45.378 -8.724 1.00 54.43 ATOM 396 CB GLN 25 9.906 -43.630 -8.463 1.00 34.15 ATOM 397 HB1 GLN 25 8.948 -43.392 -8.020 1.00 37.96 ATOM 398 HB2 GLN 25 9.849 -43.454 -9.527 1.00 3.13 ATOM 399 CG GLN 25 10.949 -42.678 -7.878 1.00 72.31 ATOM 400 HG1 GLN 25 11.036 -42.868 -6.817 1.00 37.96 ATOM 401 HG2 GLN 25 10.616 -41.662 -8.030 1.00 41.25 ATOM 402 CD GLN 25 12.321 -42.837 -8.513 1.00 2.23 ATOM 403 OE1 GLN 25 12.641 -42.182 -9.499 1.00 12.45 ATOM 404 NE2 GLN 25 13.140 -43.707 -7.957 1.00 71.35 ATOM 405 HE21 GLN 25 12.830 -44.200 -7.169 1.00 14.24 ATOM 406 HE22 GLN 25 14.024 -43.823 -8.358 1.00 23.13 ATOM 407 C GLN 25 10.366 -45.381 -6.717 1.00 12.44 ATOM 408 O GLN 25 11.491 -45.453 -6.222 1.00 75.32 ATOM 409 N LEU 26 9.252 -45.540 -5.993 1.00 14.03 ATOM 410 HN LEU 26 8.378 -45.499 -6.443 1.00 37.96 ATOM 411 CA LEU 26 9.310 -45.775 -4.541 1.00 31.05 ATOM 412 HA LEU 26 9.791 -44.915 -4.099 1.00 50.40 ATOM 413 CB LEU 26 7.905 -45.908 -3.938 1.00 24.35 ATOM 414 HB1 LEU 26 8.007 -46.271 -2.924 1.00 37.96 ATOM 415 HB2 LEU 26 7.362 -46.647 -4.511 1.00 24.12 ATOM 416 CG LEU 26 7.069 -44.618 -3.904 1.00 34.02 ATOM 417 HG LEU 26 6.810 -44.343 -4.917 1.00 43.44 ATOM 418 CD1 LEU 26 5.769 -44.844 -3.135 1.00 2.31 ATOM 419 HD11 LEU 26 5.993 -45.104 -2.110 1.00 52.50 ATOM 420 HD12 LEU 26 5.212 -45.648 -3.596 1.00 22.22 ATOM 421 HD13 LEU 26 5.177 -43.941 -3.157 1.00 3.34 ATOM 422 CD2 LEU 26 7.864 -43.461 -3.292 1.00 54.31 ATOM 423 HD21 LEU 26 7.238 -42.581 -3.240 1.00 24.02 ATOM 424 HD22 LEU 26 8.726 -43.250 -3.909 1.00 32.13 ATOM 425 HD23 LEU 26 8.191 -43.730 -2.298 1.00 54.22 ATOM 426 C LEU 26 10.139 -47.019 -4.186 1.00 1.32 ATOM 427 O LEU 26 10.852 -47.031 -3.184 1.00 43.10 ATOM 428 N TYR 27 10.041 -48.061 -5.005 1.00 51.21 ATOM 429 HN TYR 27 9.452 -48.000 -5.788 1.00 37.96 ATOM 430 CA TYR 27 10.799 -49.296 -4.778 1.00 24.40 ATOM 431 HA TYR 27 10.714 -49.554 -3.731 1.00 73.05 ATOM 432 CB TYR 27 10.220 -50.438 -5.625 1.00 45.21 ATOM 433 HB1 TYR 27 10.809 -51.330 -5.460 1.00 37.96 ATOM 434 HB2 TYR 27 10.282 -50.165 -6.668 1.00 50.13 ATOM 435 CG TYR 27 8.768 -50.772 -5.322 1.00 23.32 ATOM 436 CD1 TYR 27 8.438 -51.825 -4.473 1.00 14.13 ATOM 437 HD1 TYR 27 9.230 -52.401 -4.018 1.00 34.41 ATOM 438 CD2 TYR 27 7.729 -50.045 -5.894 1.00 54.21 ATOM 439 HD2 TYR 27 7.965 -49.222 -6.555 1.00 55.13 ATOM 440 CE1 TYR 27 7.118 -52.141 -4.208 1.00 44.03 ATOM 441 HE1 TYR 27 6.883 -52.963 -3.547 1.00 64.41 ATOM 442 CE2 TYR 27 6.408 -50.354 -5.629 1.00 4.14 ATOM 443 HE2 TYR 27 5.617 -49.775 -6.085 1.00 62.13 ATOM 444 CZ TYR 27 6.107 -51.403 -4.788 1.00 22.04 ATOM 445 OH TYR 27 4.791 -51.719 -4.531 1.00 71.21 ATOM 446 HH TYR 27 4.677 -51.899 -3.590 1.00 73.22 ATOM 447 C TYR 27 12.283 -49.104 -5.123 1.00 3.30 ATOM 448 O TYR 27 13.168 -49.637 -4.447 1.00 2.35 ATOM 449 N GLU 28 12.545 -48.323 -6.171 1.00 45.51 ATOM 450 HN GLU 28 11.799 -47.870 -6.625 1.00 37.96 ATOM 451 CA GLU 28 13.911 -48.133 -6.685 1.00 75.45 ATOM 452 HA GLU 28 14.463 -49.043 -6.494 1.00 25.40 ATOM 453 CB GLU 28 13.862 -47.902 -8.205 1.00 64.24 ATOM 454 HB1 GLU 28 14.874 -47.871 -8.587 1.00 37.96 ATOM 455 HB2 GLU 28 13.384 -46.951 -8.401 1.00 53.00 ATOM 456 CG GLU 28 13.098 -48.986 -8.963 1.00 2.22 ATOM 457 HG1 GLU 28 12.068 -48.976 -8.635 1.00 37.96 ATOM 458 HG2 GLU 28 13.535 -49.947 -8.726 1.00 32.25 ATOM 459 CD GLU 28 13.130 -48.793 -10.474 1.00 4.20 ATOM 460 OE1 GLU 28 12.553 -47.801 -10.965 1.00 45.43 ATOM 461 OE2 GLU 28 13.717 -49.646 -11.177 1.00 4.22 ATOM 462 C GLU 28 14.652 -46.967 -5.995 1.00 65.13 ATOM 463 O GLU 28 15.771 -46.624 -6.384 1.00 3.15 ATOM 464 N LEU 29 14.039 -46.366 -4.970 1.00 72.54 ATOM 465 HN LEU 29 13.145 -46.668 -4.706 1.00 37.96 ATOM 466 CA LEU 29 14.676 -45.262 -4.231 1.00 3.31 ATOM 467 HA LEU 29 14.974 -44.515 -4.954 1.00 10.21 ATOM 468 CB LEU 29 13.685 -44.619 -3.245 1.00 22.45 ATOM 469 HB1 LEU 29 14.240 -43.975 -2.577 1.00 37.96 ATOM 470 HB2 LEU 29 13.236 -45.410 -2.659 1.00 11.04 ATOM 471 CG LEU 29 12.555 -43.790 -3.879 1.00 32.03 ATOM 472 HG LEU 29 12.017 -44.409 -4.582 1.00 64.21 ATOM 473 CD1 LEU 29 11.564 -43.325 -2.815 1.00 74.12 ATOM 474 HD11 LEU 29 12.078 -42.721 -2.080 1.00 14.02 ATOM 475 HD12 LEU 29 11.125 -44.185 -2.331 1.00 72.25 ATOM 476 HD13 LEU 29 10.784 -42.739 -3.280 1.00 54.40 ATOM 477 CD2 LEU 29 13.119 -42.592 -4.641 1.00 12.11 ATOM 478 HD21 LEU 29 12.306 -42.033 -5.087 1.00 51.50 ATOM 479 HD22 LEU 29 13.785 -42.937 -5.418 1.00 13.33 ATOM 480 HD23 LEU 29 13.661 -41.952 -3.959 1.00 4.23 ATOM 481 C LEU 29 15.930 -45.732 -3.472 1.00 25.54 ATOM 482 O LEU 29 16.998 -45.129 -3.587 1.00 62.11 ATOM 483 N ASP 30 15.791 -46.809 -2.695 1.00 13.22 ATOM 484 HN ASP 30 14.924 -47.258 -2.663 1.00 37.96 ATOM 485 CA ASP 30 16.902 -47.328 -1.880 1.00 73.13 ATOM 486 HA ASP 30 17.719 -46.623 -1.957 1.00 34.35 ATOM 487 CB ASP 30 16.469 -47.410 -0.413 1.00 62.43 ATOM 488 HB1 ASP 30 17.260 -47.867 0.167 1.00 37.96 ATOM 489 HB2 ASP 30 15.577 -48.019 -0.338 1.00 52.14 ATOM 490 CG ASP 30 16.172 -46.036 0.167 1.00 4.15 ATOM 491 OD1 ASP 30 17.083 -45.427 0.759 1.00 33.13 ATOM 492 OD2 ASP 30 15.029 -45.552 0.015 1.00 41.13 ATOM 493 C ASP 30 17.405 -48.699 -2.377 1.00 34.21 ATOM 494 O ASP 30 18.609 -48.966 -2.366 1.00 45.42 ATOM 495 N GLY 31 16.488 -49.566 -2.801 1.00 34.04 ATOM 496 HN GLY 31 15.542 -49.338 -2.725 1.00 37.96 ATOM 497 CA GLY 31 16.880 -50.847 -3.396 1.00 61.03 ATOM 498 HA1 GLY 31 17.806 -50.706 -3.938 1.00 37.96 ATOM 499 HA2 GLY 31 16.118 -51.139 -4.102 1.00 20.43 ATOM 500 C GLY 31 17.073 -51.993 -2.394 1.00 52.24 ATOM 501 O GLY 31 17.162 -53.153 -2.798 1.00 72.25 ATOM 502 N ASP 32 17.143 -51.681 -1.099 1.00 61.42 ATOM 503 HN ASP 32 17.085 -50.739 -0.835 1.00 37.96 ATOM 504 CA ASP 32 17.332 -52.702 -0.051 1.00 3.44 ATOM 505 HA ASP 32 18.325 -53.111 -0.170 1.00 2.13 ATOM 506 CB ASP 32 17.234 -52.047 1.334 1.00 34.13 ATOM 507 HB1 ASP 32 17.146 -52.818 2.088 1.00 37.96 ATOM 508 HB2 ASP 32 16.354 -51.419 1.368 1.00 34.34 ATOM 509 CG ASP 32 18.443 -51.194 1.655 1.00 1.30 ATOM 510 OD1 ASP 32 18.541 -50.068 1.131 1.00 42.53 ATOM 511 OD2 ASP 32 19.309 -51.659 2.425 1.00 3.34 ATOM 512 C ASP 32 16.311 -53.857 -0.138 1.00 1.52 ATOM 513 O ASP 32 15.158 -53.657 -0.525 1.00 14.30 ATOM 514 N PRO 33 16.720 -55.087 0.240 1.00 21.11 ATOM 515 CA PRO 33 15.794 -56.231 0.336 1.00 20.14 ATOM 516 HA PRO 33 15.359 -56.462 -0.628 1.00 53.33 ATOM 517 CB PRO 33 16.694 -57.394 0.789 1.00 72.40 ATOM 518 HB1 PRO 33 16.930 -58.018 -0.062 1.00 37.96 ATOM 519 HB2 PRO 33 16.183 -57.984 1.538 1.00 45.03 ATOM 520 CG PRO 33 17.923 -56.748 1.346 1.00 53.43 ATOM 521 HG1 PRO 33 18.776 -57.398 1.206 1.00 37.96 ATOM 522 HG2 PRO 33 17.783 -56.535 2.396 1.00 35.35 ATOM 523 CD PRO 33 18.106 -55.470 0.575 1.00 4.22 ATOM 524 HD1 PRO 33 18.686 -55.645 -0.321 1.00 37.96 ATOM 525 HD2 PRO 33 18.581 -54.720 1.193 1.00 42.04 ATOM 526 C PRO 33 14.660 -55.976 1.348 1.00 52.52 ATOM 527 O PRO 33 13.576 -56.544 1.243 1.00 63.25 ATOM 528 N LYS 34 14.923 -55.106 2.323 1.00 74.11 ATOM 529 HN LYS 34 15.832 -54.752 2.405 1.00 37.96 ATOM 530 CA LYS 34 13.900 -54.674 3.288 1.00 54.11 ATOM 531 HA LYS 34 13.283 -55.528 3.529 1.00 45.54 ATOM 532 CB LYS 34 14.567 -54.158 4.572 1.00 52.31 ATOM 533 HB1 LYS 34 13.822 -53.650 5.170 1.00 37.96 ATOM 534 HB2 LYS 34 15.335 -53.449 4.301 1.00 41.32 ATOM 535 CG LYS 34 15.208 -55.237 5.433 1.00 52.41 ATOM 536 HG1 LYS 34 15.736 -54.763 6.248 1.00 37.96 ATOM 537 HG2 LYS 34 15.909 -55.797 4.828 1.00 62.30 ATOM 538 CD LYS 34 14.169 -56.197 6.005 1.00 44.23 ATOM 539 HD1 LYS 34 13.783 -56.813 5.204 1.00 37.96 ATOM 540 HD2 LYS 34 13.361 -55.624 6.439 1.00 62.51 ATOM 541 CE LYS 34 14.765 -57.098 7.079 1.00 4.11 ATOM 542 HE1 LYS 34 15.596 -57.642 6.654 1.00 37.96 ATOM 543 HE2 LYS 34 14.010 -57.795 7.407 1.00 62.45 ATOM 544 NZ LYS 34 15.247 -56.322 8.255 1.00 71.24 ATOM 545 HZ1 LYS 34 14.439 -55.907 8.767 1.00 61.50 ATOM 546 HZ2 LYS 34 15.873 -55.553 7.946 1.00 53.01 ATOM 547 HZ3 LYS 34 15.773 -56.941 8.903 1.00 5.51 ATOM 548 C LYS 34 13.010 -53.563 2.711 1.00 70.41 ATOM 549 O LYS 34 11.952 -53.259 3.255 1.00 70.25 ATOM 550 N ARG 35 13.445 -52.959 1.608 1.00 5.35 ATOM 551 HN ARG 35 14.237 -53.311 1.155 1.00 37.96 ATOM 552 CA ARG 35 12.767 -51.787 1.050 1.00 75.12 ATOM 553 HA ARG 35 12.654 -51.069 1.851 1.00 44.01 ATOM 554 CB ARG 35 13.633 -51.157 -0.050 1.00 51.43 ATOM 555 HB1 ARG 35 13.641 -51.816 -0.906 1.00 37.96 ATOM 556 HB2 ARG 35 14.645 -51.058 0.321 1.00 63.12 ATOM 557 CG ARG 35 13.162 -49.784 -0.509 1.00 44.24 ATOM 558 HG1 ARG 35 12.232 -49.895 -1.048 1.00 37.96 ATOM 559 HG2 ARG 35 13.910 -49.359 -1.164 1.00 12.52 ATOM 560 CD ARG 35 12.944 -48.843 0.674 1.00 22.20 ATOM 561 HD1 ARG 35 13.680 -49.060 1.436 1.00 37.96 ATOM 562 HD2 ARG 35 11.956 -49.010 1.076 1.00 21.04 ATOM 563 NE ARG 35 13.067 -47.444 0.291 1.00 21.32 ATOM 564 HE ARG 35 13.913 -46.997 0.496 1.00 14.41 ATOM 565 CZ ARG 35 12.143 -46.750 -0.305 1.00 64.20 ATOM 566 NH1 ARG 35 10.993 -47.274 -0.585 1.00 30.45 ATOM 567 HH11 ARG 35 10.805 -48.218 -0.339 1.00 52.10 ATOM 568 HH12 ARG 35 10.309 -46.738 -1.070 1.00 42.40 ATOM 569 NH2 ARG 35 12.376 -45.518 -0.612 1.00 11.41 ATOM 570 HH21 ARG 35 13.269 -45.113 -0.388 1.00 12.44 ATOM 571 HH22 ARG 35 11.683 -44.977 -1.073 1.00 50.00 ATOM 572 C ARG 35 11.372 -52.133 0.507 1.00 55.52 ATOM 573 O ARG 35 10.374 -51.545 0.926 1.00 63.53 ATOM 574 N LYS 36 11.306 -53.084 -0.424 1.00 33.22 ATOM 575 HN LYS 36 12.133 -53.497 -0.742 1.00 37.96 ATOM 576 CA LYS 36 10.019 -53.506 -0.996 1.00 43.14 ATOM 577 HA LYS 36 9.525 -52.611 -1.355 1.00 31.53 ATOM 578 CB LYS 36 10.219 -54.465 -2.195 1.00 34.22 ATOM 579 HB1 LYS 36 10.949 -54.028 -2.864 1.00 37.96 ATOM 580 HB2 LYS 36 9.280 -54.552 -2.724 1.00 41.22 ATOM 581 CG LYS 36 10.688 -55.882 -1.840 1.00 14.11 ATOM 582 HG1 LYS 36 10.607 -56.504 -2.722 1.00 37.96 ATOM 583 HG2 LYS 36 10.042 -56.277 -1.068 1.00 64.43 ATOM 584 CD LYS 36 12.130 -55.925 -1.337 1.00 34.53 ATOM 585 HD1 LYS 36 12.364 -56.940 -1.043 1.00 37.96 ATOM 586 HD2 LYS 36 12.219 -55.278 -0.475 1.00 73.04 ATOM 587 CE LYS 36 13.133 -55.474 -2.397 1.00 35.32 ATOM 588 HE1 LYS 36 14.119 -55.462 -1.955 1.00 37.96 ATOM 589 HE2 LYS 36 12.876 -54.476 -2.716 1.00 42.04 ATOM 590 NZ LYS 36 13.151 -56.367 -3.587 1.00 30.03 ATOM 591 HZ1 LYS 36 13.949 -56.117 -4.209 1.00 14.03 ATOM 592 HZ2 LYS 36 12.269 -56.266 -4.125 1.00 13.25 ATOM 593 HZ3 LYS 36 13.251 -57.360 -3.293 1.00 23.31 ATOM 594 C LYS 36 9.113 -54.147 0.073 1.00 14.12 ATOM 595 O LYS 36 7.888 -54.061 -0.010 1.00 64.04 ATOM 596 N GLU 37 9.724 -54.770 1.087 1.00 54.50 ATOM 597 HN GLU 37 10.700 -54.826 1.091 1.00 37.96 ATOM 598 CA GLU 37 8.970 -55.372 2.197 1.00 40.35 ATOM 599 HA GLU 37 8.187 -55.985 1.770 1.00 13.22 ATOM 600 CB GLU 37 9.884 -56.259 3.061 1.00 53.22 ATOM 601 HB1 GLU 37 9.292 -56.713 3.843 1.00 37.96 ATOM 602 HB2 GLU 37 10.647 -55.641 3.515 1.00 51.13 ATOM 603 CG GLU 37 10.577 -57.374 2.285 1.00 10.42 ATOM 604 HG1 GLU 37 11.309 -56.932 1.624 1.00 37.96 ATOM 605 HG2 GLU 37 9.836 -57.897 1.697 1.00 42.31 ATOM 606 CD GLU 37 11.279 -58.377 3.192 1.00 5.24 ATOM 607 OE1 GLU 37 10.901 -59.570 3.179 1.00 3.51 ATOM 608 OE2 GLU 37 12.201 -57.981 3.931 1.00 34.11 ATOM 609 C GLU 37 8.321 -54.287 3.072 1.00 54.12 ATOM 610 O GLU 37 7.113 -54.304 3.307 1.00 3.44 ATOM 611 N PHE 38 9.137 -53.341 3.541 1.00 45.53 ATOM 612 HN PHE 38 10.093 -53.401 3.342 1.00 37.96 ATOM 613 CA PHE 38 8.649 -52.215 4.351 1.00 21.34 ATOM 614 HA PHE 38 8.271 -52.617 5.281 1.00 24.41 ATOM 615 CB PHE 38 9.800 -51.243 4.657 1.00 52.44 ATOM 616 HB1 PHE 38 10.197 -50.864 3.725 1.00 37.96 ATOM 617 HB2 PHE 38 10.582 -51.777 5.178 1.00 23.13 ATOM 618 CG PHE 38 9.399 -50.058 5.508 1.00 54.14 ATOM 619 CD1 PHE 38 8.991 -48.866 4.921 1.00 15.11 ATOM 620 HD1 PHE 38 8.961 -48.789 3.844 1.00 1.24 ATOM 621 CD2 PHE 38 9.431 -50.138 6.894 1.00 2.40 ATOM 622 HD2 PHE 38 9.744 -51.057 7.366 1.00 31.50 ATOM 623 CE1 PHE 38 8.627 -47.782 5.697 1.00 64.23 ATOM 624 HE1 PHE 38 8.312 -46.862 5.228 1.00 30.30 ATOM 625 CE2 PHE 38 9.067 -49.056 7.673 1.00 33.42 ATOM 626 HE2 PHE 38 9.097 -49.132 8.752 1.00 50.00 ATOM 627 CZ PHE 38 8.664 -47.877 7.074 1.00 42.22 ATOM 628 HZ PHE 38 8.379 -47.031 7.682 1.00 21.53 ATOM 629 C PHE 38 7.512 -51.472 3.634 1.00 32.01 ATOM 630 O PHE 38 6.515 -51.094 4.251 1.00 65.01 ATOM 631 N LEU 39 7.678 -51.260 2.330 1.00 33.40 ATOM 632 HN LEU 39 8.520 -51.534 1.906 1.00 37.96 ATOM 633 CA LEU 39 6.639 -50.627 1.512 1.00 23.11 ATOM 634 HA LEU 39 6.425 -49.661 1.947 1.00 54.42 ATOM 635 CB LEU 39 7.135 -50.421 0.073 1.00 23.25 ATOM 636 HB1 LEU 39 6.304 -50.076 -0.526 1.00 37.96 ATOM 637 HB2 LEU 39 7.458 -51.379 -0.313 1.00 54.51 ATOM 638 CG LEU 39 8.292 -49.421 -0.091 1.00 41.23 ATOM 639 HG LEU 39 9.144 -49.777 0.471 1.00 3.01 ATOM 640 CD1 LEU 39 8.712 -49.318 -1.554 1.00 22.23 ATOM 641 HD11 LEU 39 9.515 -48.601 -1.649 1.00 60.13 ATOM 642 HD12 LEU 39 7.872 -48.996 -2.153 1.00 23.41 ATOM 643 HD13 LEU 39 9.051 -50.284 -1.900 1.00 20.11 ATOM 644 CD2 LEU 39 7.907 -48.048 0.461 1.00 12.52 ATOM 645 HD21 LEU 39 7.057 -47.663 -0.084 1.00 53.45 ATOM 646 HD22 LEU 39 8.741 -47.370 0.351 1.00 42.33 ATOM 647 HD23 LEU 39 7.654 -48.138 1.507 1.00 61.44 ATOM 648 C LEU 39 5.349 -51.457 1.506 1.00 41.00 ATOM 649 O LEU 39 4.265 -50.932 1.757 1.00 61.44 ATOM 650 N ASP 40 5.472 -52.754 1.228 1.00 64.12 ATOM 651 HN ASP 40 6.363 -53.121 1.042 1.00 37.96 ATOM 652 CA ASP 40 4.311 -53.648 1.191 1.00 54.21 ATOM 653 HA ASP 40 3.652 -53.288 0.413 1.00 20.24 ATOM 654 CB ASP 40 4.755 -55.073 0.843 1.00 61.20 ATOM 655 HB1 ASP 40 5.419 -55.435 1.616 1.00 37.96 ATOM 656 HB2 ASP 40 5.284 -55.059 -0.099 1.00 54.13 ATOM 657 CG ASP 40 3.584 -56.033 0.721 1.00 34.42 ATOM 658 OD1 ASP 40 2.852 -55.957 -0.289 1.00 13.11 ATOM 659 OD2 ASP 40 3.393 -56.870 1.629 1.00 42.31 ATOM 660 C ASP 40 3.547 -53.632 2.528 1.00 64.33 ATOM 661 O ASP 40 2.325 -53.467 2.550 1.00 32.51 ATOM 662 N ASP 41 4.270 -53.795 3.638 1.00 72.21 ATOM 663 HN ASP 41 5.234 -53.964 3.557 1.00 37.96 ATOM 664 CA ASP 41 3.661 -53.738 4.974 1.00 64.44 ATOM 665 HA ASP 41 2.903 -54.508 5.021 1.00 62.14 ATOM 666 CB ASP 41 4.711 -54.010 6.059 1.00 64.24 ATOM 667 HB1 ASP 41 4.270 -53.836 7.031 1.00 37.96 ATOM 668 HB2 ASP 41 5.542 -53.331 5.923 1.00 4.42 ATOM 669 CG ASP 41 5.240 -55.433 6.021 1.00 60.50 ATOM 670 OD1 ASP 41 6.475 -55.618 6.011 1.00 61.13 ATOM 671 OD2 ASP 41 4.422 -56.374 6.015 1.00 0.31 ATOM 672 C ASP 41 2.994 -52.376 5.228 1.00 4.43 ATOM 673 O ASP 41 1.876 -52.307 5.743 1.00 23.14 ATOM 674 N LEU 42 3.687 -51.299 4.860 1.00 72.15 ATOM 675 HN LEU 42 4.579 -51.422 4.467 1.00 37.96 ATOM 676 CA LEU 42 3.164 -49.935 5.022 1.00 42.22 ATOM 677 HA LEU 42 2.994 -49.768 6.077 1.00 12.44 ATOM 678 CB LEU 42 4.198 -48.915 4.518 1.00 51.45 ATOM 679 HB1 LEU 42 4.467 -49.184 3.506 1.00 37.96 ATOM 680 HB2 LEU 42 5.082 -48.997 5.136 1.00 52.04 ATOM 681 CG LEU 42 3.743 -47.444 4.518 1.00 72.51 ATOM 682 HG LEU 42 2.818 -47.365 3.964 1.00 1.00 ATOM 683 CD1 LEU 42 3.469 -46.955 5.938 1.00 50.02 ATOM 684 HD11 LEU 42 3.184 -45.912 5.913 1.00 34.32 ATOM 685 HD12 LEU 42 4.360 -47.069 6.539 1.00 22.34 ATOM 686 HD13 LEU 42 2.666 -47.534 6.371 1.00 34.03 ATOM 687 CD2 LEU 42 4.778 -46.561 3.823 1.00 15.22 ATOM 688 HD21 LEU 42 4.436 -45.536 3.823 1.00 41.01 ATOM 689 HD22 LEU 42 4.909 -46.894 2.803 1.00 22.05 ATOM 690 HD23 LEU 42 5.721 -46.626 4.347 1.00 65.21 ATOM 691 C LEU 42 1.837 -49.745 4.267 1.00 72.13 ATOM 692 O LEU 42 0.806 -49.436 4.870 1.00 51.44 ATOM 693 N PHE 43 1.870 -49.960 2.952 1.00 70.31 ATOM 694 HN PHE 43 2.710 -50.249 2.539 1.00 37.96 ATOM 695 CA PHE 43 0.687 -49.775 2.104 1.00 63.35 ATOM 696 HA PHE 43 0.357 -48.752 2.224 1.00 72.21 ATOM 697 CB PHE 43 1.039 -50.007 0.626 1.00 75.41 ATOM 698 HB1 PHE 43 0.158 -49.833 0.022 1.00 37.96 ATOM 699 HB2 PHE 43 1.358 -51.031 0.498 1.00 2.35 ATOM 700 CG PHE 43 2.139 -49.107 0.110 1.00 40.41 ATOM 701 CD1 PHE 43 2.172 -47.760 0.446 1.00 11.02 ATOM 702 HD1 PHE 43 1.407 -47.355 1.092 1.00 51.43 ATOM 703 CD2 PHE 43 3.133 -49.607 -0.720 1.00 23.13 ATOM 704 HD2 PHE 43 3.121 -50.653 -0.991 1.00 21.13 ATOM 705 CE1 PHE 43 3.173 -46.934 -0.031 1.00 54.25 ATOM 706 HE1 PHE 43 3.186 -45.888 0.240 1.00 44.10 ATOM 707 CE2 PHE 43 4.137 -48.784 -1.198 1.00 10.32 ATOM 708 HE2 PHE 43 4.907 -49.187 -1.841 1.00 10.10 ATOM 709 CZ PHE 43 4.156 -47.447 -0.853 1.00 1.44 ATOM 710 HZ PHE 43 4.939 -46.801 -1.226 1.00 1.13 ATOM 711 C PHE 43 -0.456 -50.707 2.528 1.00 5.54 ATOM 712 O PHE 43 -1.604 -50.277 2.653 1.00 72.15 ATOM 713 N SER 44 -0.134 -51.978 2.768 1.00 4.34 ATOM 714 HN SER 44 0.797 -52.264 2.645 1.00 37.96 ATOM 715 CA SER 44 -1.133 -52.962 3.209 1.00 4.25 ATOM 716 HA SER 44 -1.894 -53.022 2.443 1.00 70.11 ATOM 717 CB SER 44 -0.497 -54.349 3.381 1.00 13.42 ATOM 718 HB1 SER 44 -1.231 -55.033 3.781 1.00 37.96 ATOM 719 HB2 SER 44 0.339 -54.279 4.063 1.00 41.25 ATOM 720 OG SER 44 -0.029 -54.859 2.139 1.00 40.43 ATOM 721 HG SER 44 0.925 -54.709 2.069 1.00 42.42 ATOM 722 C SER 44 -1.801 -52.541 4.524 1.00 62.15 ATOM 723 O SER 44 -3.015 -52.674 4.679 1.00 54.34 ATOM 724 N PHE 45 -1.006 -52.025 5.461 1.00 21.31 ATOM 725 HN PHE 45 -0.048 -51.916 5.268 1.00 37.96 ATOM 726 CA PHE 45 -1.520 -51.613 6.771 1.00 62.04 ATOM 727 HA PHE 45 -2.085 -52.443 7.174 1.00 4.40 ATOM 728 CB PHE 45 -0.358 -51.303 7.725 1.00 73.33 ATOM 729 HB1 PHE 45 0.266 -50.536 7.285 1.00 37.96 ATOM 730 HB2 PHE 45 0.231 -52.199 7.866 1.00 31.51 ATOM 731 CG PHE 45 -0.811 -50.821 9.081 1.00 72.11 ATOM 732 CD1 PHE 45 -1.310 -51.716 10.017 1.00 13.11 ATOM 733 HD1 PHE 45 -1.364 -52.767 9.770 1.00 62.50 ATOM 734 CD2 PHE 45 -0.749 -49.474 9.417 1.00 71.43 ATOM 735 HD2 PHE 45 -0.361 -48.765 8.701 1.00 12.31 ATOM 736 CE1 PHE 45 -1.742 -51.277 11.255 1.00 0.20 ATOM 737 HE1 PHE 45 -2.129 -51.983 11.975 1.00 62.01 ATOM 738 CE2 PHE 45 -1.178 -49.034 10.654 1.00 3.02 ATOM 739 HE2 PHE 45 -1.124 -47.983 10.902 1.00 14.54 ATOM 740 CZ PHE 45 -1.673 -49.936 11.574 1.00 13.22 ATOM 741 HZ PHE 45 -2.011 -49.593 12.541 1.00 32.21 ATOM 742 C PHE 45 -2.450 -50.392 6.663 1.00 52.02 ATOM 743 O PHE 45 -3.620 -50.456 7.048 1.00 24.43 ATOM 744 N MET 46 -1.926 -49.281 6.140 1.00 31.22 ATOM 745 HN MET 46 -0.991 -49.292 5.833 1.00 37.96 ATOM 746 CA MET 46 -2.709 -48.043 6.018 1.00 64.22 ATOM 747 HA MET 46 -3.015 -47.757 7.015 1.00 73.13 ATOM 748 CB MET 46 -1.845 -46.915 5.428 1.00 12.25 ATOM 749 HB1 MET 46 -1.003 -46.739 6.084 1.00 37.96 ATOM 750 HB2 MET 46 -2.439 -46.013 5.379 1.00 15.11 ATOM 751 CG MET 46 -1.308 -47.207 4.033 1.00 12.14 ATOM 752 HG1 MET 46 -2.141 -47.268 3.346 1.00 37.96 ATOM 753 HG2 MET 46 -0.788 -48.152 4.050 1.00 33.22 ATOM 754 SD MET 46 -0.172 -45.937 3.445 1.00 52.22 ATOM 755 CE MET 46 -1.215 -44.485 3.535 1.00 60.22 ATOM 756 HE1 MET 46 -2.076 -44.620 2.898 1.00 75.11 ATOM 757 HE2 MET 46 -0.657 -43.621 3.207 1.00 72.22 ATOM 758 HE3 MET 46 -1.541 -44.337 4.554 1.00 43.05 ATOM 759 C MET 46 -3.978 -48.262 5.169 1.00 24.33 ATOM 760 O MET 46 -5.026 -47.669 5.432 1.00 15.35 ATOM 761 N GLN 47 -3.879 -49.137 4.169 1.00 72.00 ATOM 762 HN GLN 47 -3.008 -49.552 3.987 1.00 37.96 ATOM 763 CA GLN 47 -5.025 -49.493 3.324 1.00 33.24 ATOM 764 HA GLN 47 -5.360 -48.593 2.826 1.00 54.54 ATOM 765 CB GLN 47 -4.588 -50.513 2.262 1.00 70.11 ATOM 766 HB1 GLN 47 -4.197 -51.390 2.763 1.00 37.96 ATOM 767 HB2 GLN 47 -3.800 -50.076 1.666 1.00 23.12 ATOM 768 CG GLN 47 -5.700 -50.959 1.321 1.00 60.03 ATOM 769 HG1 GLN 47 -6.073 -50.096 0.786 1.00 37.96 ATOM 770 HG2 GLN 47 -6.497 -51.392 1.907 1.00 4.41 ATOM 771 CD GLN 47 -5.229 -51.992 0.313 1.00 21.11 ATOM 772 OE1 GLN 47 -4.344 -52.795 0.592 1.00 34.34 ATOM 773 NE2 GLN 47 -5.808 -51.975 -0.868 1.00 43.25 ATOM 774 HE21 GLN 47 -6.501 -51.304 -1.036 1.00 4.11 ATOM 775 HE22 GLN 47 -5.518 -52.634 -1.529 1.00 64.42 ATOM 776 C GLN 47 -6.187 -50.065 4.157 1.00 25.23 ATOM 777 O GLN 47 -7.345 -49.685 3.967 1.00 72.41 ATOM 778 N LYS 48 -5.863 -50.960 5.096 1.00 55.23 ATOM 779 HN LYS 48 -4.916 -51.177 5.237 1.00 37.96 ATOM 780 CA LYS 48 -6.877 -51.634 5.925 1.00 60.23 ATOM 781 HA LYS 48 -7.482 -52.241 5.267 1.00 61.50 ATOM 782 CB LYS 48 -6.200 -52.553 6.954 1.00 3.21 ATOM 783 HB1 LYS 48 -6.957 -52.958 7.613 1.00 37.96 ATOM 784 HB2 LYS 48 -5.505 -51.968 7.541 1.00 12.22 ATOM 785 CG LYS 48 -5.436 -53.720 6.336 1.00 70.53 ATOM 786 HG1 LYS 48 -4.704 -53.330 5.643 1.00 37.96 ATOM 787 HG2 LYS 48 -6.133 -54.352 5.804 1.00 23.42 ATOM 788 CD LYS 48 -4.723 -54.554 7.401 1.00 2.35 ATOM 789 HD1 LYS 48 -5.462 -54.974 8.070 1.00 37.96 ATOM 790 HD2 LYS 48 -4.055 -53.914 7.959 1.00 12.05 ATOM 791 CE LYS 48 -3.914 -55.687 6.782 1.00 41.31 ATOM 792 HE1 LYS 48 -3.163 -55.263 6.132 1.00 37.96 ATOM 793 HE2 LYS 48 -4.578 -56.312 6.203 1.00 12.05 ATOM 794 NZ LYS 48 -3.243 -56.527 7.811 1.00 52.00 ATOM 795 HZ1 LYS 48 -3.951 -57.037 8.377 1.00 33.15 ATOM 796 HZ2 LYS 48 -2.675 -55.934 8.446 1.00 65.53 ATOM 797 HZ3 LYS 48 -2.616 -57.221 7.351 1.00 60.53 ATOM 798 C LYS 48 -7.799 -50.638 6.651 1.00 22.54 ATOM 799 O LYS 48 -9.017 -50.824 6.685 1.00 73.15 ATOM 800 N ARG 49 -7.225 -49.572 7.209 1.00 13.02 ATOM 801 HN ARG 49 -6.260 -49.442 7.105 1.00 37.96 ATOM 802 CA ARG 49 -8.010 -48.594 7.981 1.00 30.42 ATOM 803 HA ARG 49 -8.822 -49.137 8.449 1.00 30.22 ATOM 804 CB ARG 49 -7.154 -47.962 9.092 1.00 53.31 ATOM 805 HB1 ARG 49 -6.889 -48.734 9.801 1.00 37.96 ATOM 806 HB2 ARG 49 -7.747 -47.215 9.602 1.00 22.55 ATOM 807 CG ARG 49 -5.866 -47.297 8.608 1.00 63.11 ATOM 808 HG1 ARG 49 -6.112 -46.551 7.865 1.00 37.96 ATOM 809 HG2 ARG 49 -5.228 -48.049 8.164 1.00 2.53 ATOM 810 CD ARG 49 -5.112 -46.625 9.756 1.00 11.12 ATOM 811 HD1 ARG 49 -5.725 -45.829 10.155 1.00 37.96 ATOM 812 HD2 ARG 49 -4.192 -46.208 9.370 1.00 64.21 ATOM 813 NE ARG 49 -4.788 -47.562 10.833 1.00 1.33 ATOM 814 HE ARG 49 -5.038 -48.500 10.709 1.00 65.13 ATOM 815 CZ ARG 49 -4.193 -47.231 11.950 1.00 11.32 ATOM 816 NH1 ARG 49 -3.841 -46.008 12.184 1.00 11.40 ATOM 817 HH11 ARG 49 -4.025 -45.294 11.512 1.00 25.51 ATOM 818 HH12 ARG 49 -3.381 -45.784 13.041 1.00 60.11 ATOM 819 NH2 ARG 49 -3.951 -48.132 12.841 1.00 31.35 ATOM 820 HH21 ARG 49 -4.221 -49.080 12.679 1.00 30.31 ATOM 821 HH22 ARG 49 -3.497 -47.878 13.692 1.00 34.13 ATOM 822 C ARG 49 -8.632 -47.502 7.090 1.00 3.01 ATOM 823 O ARG 49 -9.103 -46.476 7.591 1.00 73.31 ATOM 824 N GLY 50 -8.649 -47.732 5.777 1.00 33.41 ATOM 825 HN GLY 50 -8.201 -48.532 5.424 1.00 37.96 ATOM 826 CA GLY 50 -9.337 -46.824 4.860 1.00 31.44 ATOM 827 HA1 GLY 50 -10.219 -46.438 5.353 1.00 37.96 ATOM 828 HA2 GLY 50 -9.651 -47.389 3.995 1.00 40.33 ATOM 829 C GLY 50 -8.490 -45.646 4.381 1.00 32.02 ATOM 830 O GLY 50 -9.011 -44.549 4.173 1.00 53.04 ATOM 831 N THR 51 -7.188 -45.863 4.201 1.00 20.33 ATOM 832 HN THR 51 -6.807 -46.729 4.457 1.00 37.96 ATOM 833 CA THR 51 -6.306 -44.827 3.634 1.00 23.24 ATOM 834 HA THR 51 -6.905 -44.232 2.956 1.00 33.15 ATOM 835 CB THR 51 -5.741 -43.870 4.724 1.00 24.13 ATOM 836 HB THR 51 -6.558 -43.266 5.096 1.00 54.32 ATOM 837 OG1 THR 51 -4.748 -42.996 4.160 1.00 31.25 ATOM 838 HG1 THR 51 -3.943 -43.497 3.990 1.00 72.43 ATOM 839 CG2 THR 51 -5.142 -44.640 5.898 1.00 12.23 ATOM 840 HG21 THR 51 -4.322 -45.252 5.550 1.00 55.10 ATOM 841 HG22 THR 51 -5.899 -45.272 6.341 1.00 71.43 ATOM 842 HG23 THR 51 -4.779 -43.943 6.640 1.00 63.04 ATOM 843 C THR 51 -5.148 -45.439 2.825 1.00 63.23 ATOM 844 O THR 51 -4.030 -45.573 3.317 1.00 73.22 ATOM 845 N PRO 52 -5.418 -45.856 1.572 1.00 40.22 ATOM 846 CA PRO 52 -4.391 -46.402 0.677 1.00 44.44 ATOM 847 HA PRO 52 -3.667 -46.997 1.219 1.00 73.13 ATOM 848 CB PRO 52 -5.215 -47.305 -0.242 1.00 43.32 ATOM 849 HB1 PRO 52 -5.330 -48.280 0.212 1.00 37.96 ATOM 850 HB2 PRO 52 -4.722 -47.405 -1.200 1.00 44.14 ATOM 851 CG PRO 52 -6.530 -46.605 -0.368 1.00 61.43 ATOM 852 HG1 PRO 52 -7.318 -47.331 -0.516 1.00 37.96 ATOM 853 HG2 PRO 52 -6.498 -45.917 -1.203 1.00 12.42 ATOM 854 CD PRO 52 -6.748 -45.848 0.928 1.00 33.41 ATOM 855 HD1 PRO 52 -7.478 -46.355 1.545 1.00 37.96 ATOM 856 HD2 PRO 52 -7.069 -44.835 0.725 1.00 55.44 ATOM 857 C PRO 52 -3.658 -45.314 -0.136 1.00 10.21 ATOM 858 O PRO 52 -4.132 -44.183 -0.258 1.00 52.14 ATOM 859 N VAL 53 -2.503 -45.664 -0.700 1.00 1.33 ATOM 860 HN VAL 53 -2.176 -46.579 -0.591 1.00 37.96 ATOM 861 CA VAL 53 -1.707 -44.709 -1.482 1.00 44.24 ATOM 862 HA VAL 53 -1.961 -43.710 -1.147 1.00 53.14 ATOM 863 CB VAL 53 -0.186 -44.918 -1.253 1.00 63.22 ATOM 864 HB VAL 53 0.075 -45.907 -1.608 1.00 12.23 ATOM 865 CG1 VAL 53 0.637 -43.898 -2.047 1.00 11.01 ATOM 866 HG11 VAL 53 0.376 -42.896 -1.733 1.00 50.41 ATOM 867 HG12 VAL 53 0.428 -44.007 -3.102 1.00 23.15 ATOM 868 HG13 VAL 53 1.690 -44.067 -1.873 1.00 51.14 ATOM 869 CG2 VAL 53 0.149 -44.846 0.234 1.00 42.32 ATOM 870 HG21 VAL 53 -0.100 -43.866 0.616 1.00 74.30 ATOM 871 HG22 VAL 53 1.205 -45.028 0.376 1.00 4.22 ATOM 872 HG23 VAL 53 -0.418 -45.594 0.768 1.00 64.04 ATOM 873 C VAL 53 -2.002 -44.813 -2.988 1.00 43.23 ATOM 874 O VAL 53 -1.554 -45.746 -3.657 1.00 72.44 ATOM 875 N ASN 54 -2.773 -43.858 -3.512 1.00 41.13 ATOM 876 HN ASN 54 -3.198 -43.211 -2.914 1.00 37.96 ATOM 877 CA ASN 54 -3.002 -43.762 -4.959 1.00 34.25 ATOM 878 HA ASN 54 -2.930 -44.761 -5.367 1.00 32.12 ATOM 879 CB ASN 54 -4.401 -43.205 -5.262 1.00 21.42 ATOM 880 HB1 ASN 54 -4.491 -43.030 -6.325 1.00 37.96 ATOM 881 HB2 ASN 54 -4.532 -42.268 -4.738 1.00 41.32 ATOM 882 CG ASN 54 -5.510 -44.153 -4.835 1.00 1.35 ATOM 883 OD1 ASN 54 -5.923 -45.025 -5.591 1.00 52.20 ATOM 884 ND2 ASN 54 -6.009 -43.986 -3.626 1.00 62.52 ATOM 885 HD21 ASN 54 -5.647 -43.270 -3.068 1.00 14.34 ATOM 886 HD22 ASN 54 -6.731 -44.584 -3.339 1.00 40.50 ATOM 887 C ASN 54 -1.915 -42.893 -5.614 1.00 54.02 ATOM 888 O ASN 54 -0.940 -43.415 -6.147 1.00 33.53 ATOM 889 N ARG 55 -2.067 -41.569 -5.559 1.00 13.04 ATOM 890 HN ARG 55 -2.892 -41.197 -5.189 1.00 37.96 ATOM 891 CA ARG 55 -1.018 -40.660 -6.040 1.00 2.01 ATOM 892 HA ARG 55 -0.440 -41.196 -6.784 1.00 70.00 ATOM 893 CB ARG 55 -1.622 -39.410 -6.701 1.00 31.15 ATOM 894 HB1 ARG 55 -2.092 -39.704 -7.630 1.00 37.96 ATOM 895 HB2 ARG 55 -0.824 -38.714 -6.922 1.00 1.21 ATOM 896 CG ARG 55 -2.661 -38.688 -5.851 1.00 72.20 ATOM 897 HG1 ARG 55 -2.269 -38.561 -4.851 1.00 37.96 ATOM 898 HG2 ARG 55 -3.561 -39.286 -5.812 1.00 32.11 ATOM 899 CD ARG 55 -3.001 -37.316 -6.428 1.00 20.12 ATOM 900 HD1 ARG 55 -2.140 -36.672 -6.318 1.00 37.96 ATOM 901 HD2 ARG 55 -3.828 -36.902 -5.869 1.00 10.21 ATOM 902 NE ARG 55 -3.375 -37.375 -7.844 1.00 24.42 ATOM 903 HE ARG 55 -3.635 -38.244 -8.210 1.00 22.44 ATOM 904 CZ ARG 55 -3.382 -36.336 -8.642 1.00 20.32 ATOM 905 NH1 ARG 55 -3.054 -35.162 -8.201 1.00 13.42 ATOM 906 HH11 ARG 55 -2.795 -35.040 -7.249 1.00 41.43 ATOM 907 HH12 ARG 55 -3.064 -34.378 -8.819 1.00 43.51 ATOM 908 NH2 ARG 55 -3.719 -36.472 -9.883 1.00 12.44 ATOM 909 HH21 ARG 55 -3.975 -37.371 -10.235 1.00 24.21 ATOM 910 HH22 ARG 55 -3.724 -35.676 -10.488 1.00 42.43 ATOM 911 C ARG 55 -0.071 -40.259 -4.894 1.00 72.32 ATOM 912 O ARG 55 -0.477 -40.182 -3.732 1.00 41.32 ATOM 913 N ILE 56 1.188 -39.999 -5.236 1.00 2.31 ATOM 914 HN ILE 56 1.425 -39.979 -6.185 1.00 37.96 ATOM 915 CA ILE 56 2.237 -39.740 -4.238 1.00 1.43 ATOM 916 HA ILE 56 1.892 -40.114 -3.283 1.00 23.44 ATOM 917 CB ILE 56 3.531 -40.506 -4.620 1.00 51.32 ATOM 918 HB ILE 56 3.939 -40.058 -5.516 1.00 20.24 ATOM 919 CG1 ILE 56 3.200 -41.984 -4.904 1.00 23.54 ATOM 920 HG11 ILE 56 2.382 -42.033 -5.609 1.00 37.96 ATOM 921 HG12 ILE 56 2.903 -42.464 -3.984 1.00 62.01 ATOM 922 CG2 ILE 56 4.579 -40.391 -3.509 1.00 14.32 ATOM 923 HG21 ILE 56 5.466 -40.942 -3.789 1.00 34.31 ATOM 924 HG22 ILE 56 4.178 -40.797 -2.591 1.00 43.42 ATOM 925 HG23 ILE 56 4.833 -39.352 -3.358 1.00 62.13 ATOM 926 CD1 ILE 56 4.355 -42.775 -5.481 1.00 54.22 ATOM 927 HD11 ILE 56 5.198 -42.730 -4.806 1.00 4.24 ATOM 928 HD12 ILE 56 4.636 -42.359 -6.437 1.00 12.14 ATOM 929 HD13 ILE 56 4.054 -43.804 -5.611 1.00 10.42 ATOM 930 C ILE 56 2.551 -38.233 -4.109 1.00 11.21 ATOM 931 O ILE 56 2.654 -37.530 -5.114 1.00 75.42 ATOM 932 N PRO 57 2.695 -37.718 -2.866 1.00 43.11 ATOM 933 CA PRO 57 3.039 -36.300 -2.619 1.00 51.14 ATOM 934 HA PRO 57 2.256 -35.645 -2.976 1.00 63.44 ATOM 935 CB PRO 57 3.123 -36.207 -1.084 1.00 4.43 ATOM 936 HB1 PRO 57 2.684 -35.277 -0.752 1.00 37.96 ATOM 937 HB2 PRO 57 4.158 -36.250 -0.770 1.00 73.32 ATOM 938 CG PRO 57 2.353 -37.382 -0.577 1.00 43.23 ATOM 939 HG1 PRO 57 1.309 -37.121 -0.467 1.00 37.96 ATOM 940 HG2 PRO 57 2.759 -37.706 0.371 1.00 5.14 ATOM 941 CD PRO 57 2.512 -38.466 -1.607 1.00 51.22 ATOM 942 HD1 PRO 57 1.623 -39.080 -1.649 1.00 37.96 ATOM 943 HD2 PRO 57 3.380 -39.072 -1.390 1.00 72.34 ATOM 944 C PRO 57 4.381 -35.873 -3.255 1.00 62.13 ATOM 945 O PRO 57 5.382 -36.589 -3.169 1.00 23.32 ATOM 946 N ILE 58 4.392 -34.694 -3.882 1.00 31.23 ATOM 947 HN ILE 58 3.563 -34.177 -3.933 1.00 37.96 ATOM 948 CA ILE 58 5.607 -34.152 -4.510 1.00 44.04 ATOM 949 HA ILE 58 6.395 -34.891 -4.413 1.00 22.53 ATOM 950 CB ILE 58 5.381 -33.878 -6.023 1.00 73.13 ATOM 951 HB ILE 58 4.632 -33.103 -6.115 1.00 3.14 ATOM 952 CG1 ILE 58 4.875 -35.147 -6.738 1.00 14.51 ATOM 953 HG11 ILE 58 4.687 -34.917 -7.777 1.00 37.96 ATOM 954 HG12 ILE 58 3.952 -35.469 -6.277 1.00 31.02 ATOM 955 CG2 ILE 58 6.666 -33.369 -6.681 1.00 11.20 ATOM 956 HG21 ILE 58 6.479 -33.155 -7.724 1.00 23.20 ATOM 957 HG22 ILE 58 7.437 -34.122 -6.603 1.00 35.11 ATOM 958 HG23 ILE 58 6.994 -32.468 -6.183 1.00 52.54 ATOM 959 CD1 ILE 58 5.843 -36.312 -6.689 1.00 32.34 ATOM 960 HD11 ILE 58 6.778 -36.025 -7.149 1.00 71.45 ATOM 961 HD12 ILE 58 5.423 -37.150 -7.223 1.00 4.11 ATOM 962 HD13 ILE 58 6.019 -36.594 -5.661 1.00 73.20 ATOM 963 C ILE 58 6.062 -32.847 -3.821 1.00 73.31 ATOM 964 O ILE 58 5.243 -31.979 -3.503 1.00 3.32 ATOM 965 N MET 59 7.368 -32.718 -3.590 1.00 25.14 ATOM 966 HN MET 59 7.966 -33.459 -3.829 1.00 37.96 ATOM 967 CA MET 59 7.941 -31.507 -2.980 1.00 24.14 ATOM 968 HA MET 59 7.206 -30.716 -3.047 1.00 72.44 ATOM 969 CB MET 59 8.271 -31.758 -1.501 1.00 44.11 ATOM 970 HB1 MET 59 9.060 -32.497 -1.440 1.00 37.96 ATOM 971 HB2 MET 59 7.391 -32.147 -1.010 1.00 24.11 ATOM 972 CG MET 59 8.725 -30.510 -0.752 1.00 74.00 ATOM 973 HG1 MET 59 9.549 -30.057 -1.288 1.00 37.96 ATOM 974 HG2 MET 59 9.059 -30.800 0.234 1.00 52.31 ATOM 975 SD MET 59 7.409 -29.288 -0.577 1.00 44.04 ATOM 976 CE MET 59 6.285 -30.166 0.510 1.00 40.23 ATOM 977 HE1 MET 59 6.772 -30.354 1.457 1.00 13.44 ATOM 978 HE2 MET 59 6.006 -31.107 0.058 1.00 13.20 ATOM 979 HE3 MET 59 5.401 -29.567 0.672 1.00 71.02 ATOM 980 C MET 59 9.214 -31.066 -3.720 1.00 71.43 ATOM 981 O MET 59 10.123 -31.868 -3.931 1.00 4.12 ATOM 982 N ALA 60 9.271 -29.789 -4.114 1.00 55.21 ATOM 983 HN ALA 60 8.514 -29.201 -3.919 1.00 37.96 ATOM 984 CA ALA 60 10.441 -29.233 -4.815 1.00 14.34 ATOM 985 HA ALA 60 10.199 -28.218 -5.099 1.00 43.33 ATOM 986 CB ALA 60 11.637 -29.181 -3.869 1.00 10.45 ATOM 987 HB1 ALA 60 11.382 -28.596 -2.997 1.00 15.30 ATOM 988 HB2 ALA 60 12.477 -28.725 -4.374 1.00 43.15 ATOM 989 HB3 ALA 60 11.902 -30.183 -3.564 1.00 30.02 ATOM 990 C ALA 60 10.787 -30.030 -6.090 1.00 72.31 ATOM 991 O ALA 60 11.957 -30.151 -6.459 1.00 34.43 ATOM 992 N LYS 61 9.747 -30.546 -6.762 1.00 4.54 ATOM 993 HN LYS 61 8.848 -30.388 -6.412 1.00 37.96 ATOM 994 CA LYS 61 9.887 -31.346 -8.000 1.00 22.44 ATOM 995 HA LYS 61 8.906 -31.404 -8.451 1.00 12.45 ATOM 996 CB LYS 61 10.844 -30.674 -9.003 1.00 72.53 ATOM 997 HB1 LYS 61 10.892 -31.284 -9.897 1.00 37.96 ATOM 998 HB2 LYS 61 11.829 -30.630 -8.563 1.00 11.11 ATOM 999 CG LYS 61 10.448 -29.259 -9.414 1.00 63.53 ATOM 1000 HG1 LYS 61 11.228 -28.852 -10.045 1.00 37.96 ATOM 1001 HG2 LYS 61 10.353 -28.651 -8.526 1.00 40.35 ATOM 1002 CD LYS 61 9.127 -29.222 -10.174 1.00 40.54 ATOM 1003 HD1 LYS 61 8.325 -29.488 -9.498 1.00 37.96 ATOM 1004 HD2 LYS 61 9.167 -29.933 -10.986 1.00 33.02 ATOM 1005 CE LYS 61 8.855 -27.836 -10.746 1.00 52.13 ATOM 1006 HE1 LYS 61 8.778 -27.130 -9.933 1.00 37.96 ATOM 1007 HE2 LYS 61 7.921 -27.860 -11.290 1.00 51.20 ATOM 1008 NZ LYS 61 9.940 -27.398 -11.667 1.00 4.53 ATOM 1009 HZ1 LYS 61 9.714 -26.469 -12.073 1.00 71.13 ATOM 1010 HZ2 LYS 61 10.048 -28.082 -12.444 1.00 42.50 ATOM 1011 HZ3 LYS 61 10.843 -27.329 -11.154 1.00 12.00 ATOM 1012 C LYS 61 10.367 -32.785 -7.720 1.00 72.43 ATOM 1013 O LYS 61 10.487 -33.593 -8.641 1.00 41.41 ATOM 1014 N GLN 62 10.630 -33.101 -6.454 1.00 72.53 ATOM 1015 HN GLN 62 10.524 -32.417 -5.762 1.00 37.96 ATOM 1016 CA GLN 62 11.076 -34.445 -6.055 1.00 52.51 ATOM 1017 HA GLN 62 11.398 -34.970 -6.944 1.00 42.24 ATOM 1018 CB GLN 62 12.269 -34.326 -5.087 1.00 2.45 ATOM 1019 HB1 GLN 62 12.008 -33.630 -4.302 1.00 37.96 ATOM 1020 HB2 GLN 62 13.116 -33.935 -5.631 1.00 73.02 ATOM 1021 CG GLN 62 12.688 -35.645 -4.438 1.00 4.24 ATOM 1022 HG1 GLN 62 12.939 -36.350 -5.218 1.00 37.96 ATOM 1023 HG2 GLN 62 11.856 -36.029 -3.865 1.00 33.14 ATOM 1024 CD GLN 62 13.887 -35.498 -3.512 1.00 50.11 ATOM 1025 OE1 GLN 62 14.769 -34.677 -3.740 1.00 12.00 ATOM 1026 NE2 GLN 62 13.923 -36.280 -2.451 1.00 31.22 ATOM 1027 HE21 GLN 62 13.182 -36.913 -2.312 1.00 12.43 ATOM 1028 HE22 GLN 62 14.677 -36.182 -1.832 1.00 23.41 ATOM 1029 C GLN 62 9.935 -35.240 -5.396 1.00 32.43 ATOM 1030 O GLN 62 9.081 -34.668 -4.714 1.00 22.43 ATOM 1031 N VAL 63 9.916 -36.557 -5.610 1.00 43.50 ATOM 1032 HN VAL 63 10.583 -36.955 -6.206 1.00 37.96 ATOM 1033 CA VAL 63 8.926 -37.423 -4.962 1.00 53.23 ATOM 1034 HA VAL 63 7.954 -36.963 -5.088 1.00 52.05 ATOM 1035 CB VAL 63 8.882 -38.835 -5.612 1.00 64.03 ATOM 1036 HB VAL 63 8.678 -38.708 -6.667 1.00 74.34 ATOM 1037 CG1 VAL 63 10.225 -39.552 -5.479 1.00 34.02 ATOM 1038 HG11 VAL 63 10.156 -40.534 -5.926 1.00 24.23 ATOM 1039 HG12 VAL 63 10.483 -39.651 -4.434 1.00 53.24 ATOM 1040 HG13 VAL 63 10.990 -38.981 -5.984 1.00 61.55 ATOM 1041 CG2 VAL 63 7.756 -39.677 -5.012 1.00 54.31 ATOM 1042 HG21 VAL 63 6.813 -39.167 -5.147 1.00 61.30 ATOM 1043 HG22 VAL 63 7.936 -39.826 -3.956 1.00 53.24 ATOM 1044 HG23 VAL 63 7.718 -40.637 -5.508 1.00 61.31 ATOM 1045 C VAL 63 9.219 -37.550 -3.459 1.00 13.22 ATOM 1046 O VAL 63 10.372 -37.690 -3.050 1.00 54.44 ATOM 1047 N LEU 64 8.178 -37.481 -2.638 1.00 4.21 ATOM 1048 HN LEU 64 7.280 -37.366 -3.012 1.00 37.96 ATOM 1049 CA LEU 64 8.346 -37.559 -1.185 1.00 44.00 ATOM 1050 HA LEU 64 9.131 -36.867 -0.912 1.00 72.11 ATOM 1051 CB LEU 64 7.048 -37.135 -0.477 1.00 1.33 ATOM 1052 HB1 LEU 64 6.281 -37.858 -0.717 1.00 37.96 ATOM 1053 HB2 LEU 64 6.746 -36.175 -0.876 1.00 52.45 ATOM 1054 CG LEU 64 7.132 -37.015 1.056 1.00 50.30 ATOM 1055 HG LEU 64 7.407 -37.975 1.470 1.00 51.53 ATOM 1056 CD1 LEU 64 8.203 -36.006 1.466 1.00 11.33 ATOM 1057 HD11 LEU 64 7.967 -35.038 1.048 1.00 21.55 ATOM 1058 HD12 LEU 64 9.167 -36.331 1.101 1.00 2.30 ATOM 1059 HD13 LEU 64 8.234 -35.932 2.544 1.00 33.32 ATOM 1060 CD2 LEU 64 5.777 -36.619 1.641 1.00 23.21 ATOM 1061 HD21 LEU 64 5.843 -36.594 2.719 1.00 71.04 ATOM 1062 HD22 LEU 64 5.029 -37.341 1.344 1.00 63.34 ATOM 1063 HD23 LEU 64 5.498 -35.640 1.277 1.00 65.43 ATOM 1064 C LEU 64 8.769 -38.973 -0.747 1.00 31.42 ATOM 1065 O LEU 64 7.943 -39.885 -0.651 1.00 13.32 ATOM 1066 N ASP 65 10.072 -39.152 -0.512 1.00 1.33 ATOM 1067 HN ASP 65 10.691 -38.402 -0.668 1.00 37.96 ATOM 1068 CA ASP 65 10.617 -40.436 -0.063 1.00 53.23 ATOM 1069 HA ASP 65 10.393 -41.174 -0.821 1.00 65.24 ATOM 1070 CB ASP 65 12.142 -40.341 0.103 1.00 65.04 ATOM 1071 HB1 ASP 65 12.534 -41.320 0.341 1.00 37.96 ATOM 1072 HB2 ASP 65 12.368 -39.667 0.915 1.00 74.53 ATOM 1073 CG ASP 65 12.840 -39.832 -1.145 1.00 44.01 ATOM 1074 OD1 ASP 65 13.390 -40.655 -1.906 1.00 25.30 ATOM 1075 OD2 ASP 65 12.854 -38.606 -1.359 1.00 61.33 ATOM 1076 C ASP 65 9.980 -40.878 1.267 1.00 62.34 ATOM 1077 O ASP 65 10.517 -40.608 2.344 1.00 14.41 ATOM 1078 N LEU 66 8.828 -41.547 1.181 1.00 3.52 ATOM 1079 HN LEU 66 8.444 -41.710 0.291 1.00 37.96 ATOM 1080 CA LEU 66 8.092 -42.003 2.373 1.00 20.31 ATOM 1081 HA LEU 66 7.720 -41.122 2.878 1.00 63.14 ATOM 1082 CB LEU 66 6.893 -42.871 1.955 1.00 74.13 ATOM 1083 HB1 LEU 66 6.404 -43.226 2.851 1.00 37.96 ATOM 1084 HB2 LEU 66 7.271 -43.727 1.411 1.00 63.43 ATOM 1085 CG LEU 66 5.839 -42.167 1.078 1.00 61.53 ATOM 1086 HG LEU 66 6.309 -41.840 0.160 1.00 21.40 ATOM 1087 CD1 LEU 66 4.717 -43.134 0.703 1.00 32.53 ATOM 1088 HD11 LEU 66 5.133 -43.984 0.180 1.00 61.14 ATOM 1089 HD12 LEU 66 4.006 -42.632 0.061 1.00 64.01 ATOM 1090 HD13 LEU 66 4.216 -43.473 1.598 1.00 30.03 ATOM 1091 CD2 LEU 66 5.278 -40.932 1.785 1.00 21.32 ATOM 1092 HD21 LEU 66 4.802 -41.227 2.710 1.00 41.41 ATOM 1093 HD22 LEU 66 4.554 -40.448 1.147 1.00 24.21 ATOM 1094 HD23 LEU 66 6.082 -40.242 2.000 1.00 41.25 ATOM 1095 C LEU 66 8.988 -42.784 3.352 1.00 54.25 ATOM 1096 O LEU 66 8.892 -42.614 4.567 1.00 25.15 ATOM 1097 N PHE 67 9.866 -43.629 2.815 1.00 54.35 ATOM 1098 HN PHE 67 9.899 -43.722 1.843 1.00 37.96 ATOM 1099 CA PHE 67 10.783 -44.425 3.643 1.00 64.54 ATOM 1100 HA PHE 67 10.183 -45.036 4.305 1.00 21.12 ATOM 1101 CB PHE 67 11.629 -45.343 2.751 1.00 32.43 ATOM 1102 HB1 PHE 67 12.220 -44.733 2.081 1.00 37.96 ATOM 1103 HB2 PHE 67 10.971 -45.969 2.165 1.00 14.44 ATOM 1104 CG PHE 67 12.571 -46.249 3.511 1.00 14.53 ATOM 1105 CD1 PHE 67 12.103 -47.409 4.110 1.00 31.31 ATOM 1106 HD1 PHE 67 11.055 -47.661 4.030 1.00 73.43 ATOM 1107 CD2 PHE 67 13.922 -45.943 3.622 1.00 51.21 ATOM 1108 HD2 PHE 67 14.302 -45.043 3.161 1.00 13.23 ATOM 1109 CE1 PHE 67 12.957 -48.244 4.803 1.00 14.14 ATOM 1110 HE1 PHE 67 12.577 -49.144 5.267 1.00 23.45 ATOM 1111 CE2 PHE 67 14.780 -46.776 4.314 1.00 4.24 ATOM 1112 HE2 PHE 67 15.829 -46.527 4.392 1.00 37.96 ATOM 1113 CZ PHE 67 14.298 -47.928 4.906 1.00 64.33 ATOM 1114 HZ PHE 67 14.968 -48.580 5.448 1.00 12.14 ATOM 1115 C PHE 67 11.698 -43.525 4.492 1.00 2.25 ATOM 1116 O PHE 67 11.814 -43.705 5.704 1.00 22.22 ATOM 1117 N MET 68 12.332 -42.548 3.848 1.00 41.12 ATOM 1118 HN MET 68 12.188 -42.441 2.886 1.00 37.96 ATOM 1119 CA MET 68 13.235 -41.622 4.542 1.00 73.53 ATOM 1120 HA MET 68 13.941 -42.214 5.109 1.00 33.11 ATOM 1121 CB MET 68 14.004 -40.768 3.526 1.00 70.34 ATOM 1122 HB1 MET 68 14.673 -40.105 4.061 1.00 37.96 ATOM 1123 HB2 MET 68 13.295 -40.171 2.968 1.00 30.30 ATOM 1124 CG MET 68 14.823 -41.580 2.536 1.00 12.51 ATOM 1125 HG1 MET 68 15.294 -40.903 1.836 1.00 37.96 ATOM 1126 HG2 MET 68 14.158 -42.240 1.998 1.00 54.22 ATOM 1127 SD MET 68 16.105 -42.576 3.328 1.00 24.22 ATOM 1128 CE MET 68 17.141 -41.305 4.053 1.00 71.04 ATOM 1129 HE1 MET 68 16.548 -40.695 4.718 1.00 34.40 ATOM 1130 HE2 MET 68 17.557 -40.687 3.270 1.00 75.03 ATOM 1131 HE3 MET 68 17.943 -41.768 4.610 1.00 5.31 ATOM 1132 C MET 68 12.461 -40.715 5.509 1.00 74.31 ATOM 1133 O MET 68 12.918 -40.439 6.618 1.00 50.12 ATOM 1134 N LEU 69 11.288 -40.257 5.076 1.00 22.22 ATOM 1135 HN LEU 69 10.994 -40.488 4.170 1.00 37.96 ATOM 1136 CA LEU 69 10.422 -39.418 5.908 1.00 11.12 ATOM 1137 HA LEU 69 10.951 -38.498 6.113 1.00 60.52 ATOM 1138 CB LEU 69 9.127 -39.097 5.147 1.00 70.42 ATOM 1139 HB1 LEU 69 8.561 -40.013 5.044 1.00 37.96 ATOM 1140 HB2 LEU 69 9.396 -38.751 4.157 1.00 61.32 ATOM 1141 CG LEU 69 8.219 -38.040 5.797 1.00 53.12 ATOM 1142 HG LEU 69 7.999 -38.342 6.813 1.00 22.44 ATOM 1143 CD1 LEU 69 8.926 -36.690 5.860 1.00 1.43 ATOM 1144 HD11 LEU 69 9.835 -36.787 6.436 1.00 25.14 ATOM 1145 HD12 LEU 69 8.281 -35.963 6.330 1.00 22.13 ATOM 1146 HD13 LEU 69 9.169 -36.363 4.858 1.00 73.30 ATOM 1147 CD2 LEU 69 6.894 -37.924 5.044 1.00 10.55 ATOM 1148 HD21 LEU 69 6.274 -37.179 5.521 1.00 33.52 ATOM 1149 HD22 LEU 69 6.385 -38.877 5.062 1.00 34.15 ATOM 1150 HD23 LEU 69 7.082 -37.635 4.020 1.00 11.34 ATOM 1151 C LEU 69 10.106 -40.118 7.240 1.00 22.02 ATOM 1152 O LEU 69 10.182 -39.511 8.310 1.00 33.13 ATOM 1153 N TYR 70 9.769 -41.406 7.159 1.00 13.02 ATOM 1154 HN TYR 70 9.669 -41.816 6.272 1.00 37.96 ATOM 1155 CA TYR 70 9.533 -42.228 8.351 1.00 3.22 ATOM 1156 HA TYR 70 8.705 -41.793 8.891 1.00 61.13 ATOM 1157 CB TYR 70 9.158 -43.661 7.933 1.00 45.34 ATOM 1158 HB1 TYR 70 9.896 -44.027 7.232 1.00 37.96 ATOM 1159 HB2 TYR 70 8.193 -43.642 7.447 1.00 1.43 ATOM 1160 CG TYR 70 9.078 -44.650 9.089 1.00 4.02 ATOM 1161 CD1 TYR 70 7.914 -44.790 9.842 1.00 52.11 ATOM 1162 HD1 TYR 70 7.054 -44.183 9.599 1.00 63.35 ATOM 1163 CD2 TYR 70 10.173 -45.446 9.426 1.00 31.34 ATOM 1164 HD2 TYR 70 11.087 -45.351 8.857 1.00 73.31 ATOM 1165 CE1 TYR 70 7.847 -45.689 10.893 1.00 13.52 ATOM 1166 HE1 TYR 70 6.934 -45.782 11.466 1.00 4.23 ATOM 1167 CE2 TYR 70 10.110 -46.344 10.473 1.00 0.04 ATOM 1168 HE2 TYR 70 10.970 -46.952 10.716 1.00 2.55 ATOM 1169 CZ TYR 70 8.946 -46.464 11.202 1.00 50.03 ATOM 1170 OH TYR 70 8.887 -47.357 12.250 1.00 75.22 ATOM 1171 HH TYR 70 9.614 -47.179 12.861 1.00 11.14 ATOM 1172 C TYR 70 10.769 -42.253 9.267 1.00 33.22 ATOM 1173 O TYR 70 10.677 -41.963 10.462 1.00 63.15 ATOM 1174 N VAL 71 11.921 -42.606 8.695 1.00 71.11 ATOM 1175 HN VAL 71 11.931 -42.797 7.734 1.00 37.96 ATOM 1176 CA VAL 71 13.174 -42.715 9.455 1.00 41.23 ATOM 1177 HA VAL 71 13.068 -43.540 10.149 1.00 31.45 ATOM 1178 CB VAL 71 14.372 -43.026 8.518 1.00 60.52 ATOM 1179 HB VAL 71 14.465 -42.215 7.807 1.00 50.22 ATOM 1180 CG1 VAL 71 15.679 -43.114 9.307 1.00 4.14 ATOM 1181 HG11 VAL 71 16.497 -43.318 8.629 1.00 43.51 ATOM 1182 HG12 VAL 71 15.610 -43.911 10.033 1.00 5.54 ATOM 1183 HG13 VAL 71 15.860 -42.178 9.816 1.00 44.13 ATOM 1184 CG2 VAL 71 14.121 -44.316 7.737 1.00 54.44 ATOM 1185 HG21 VAL 71 13.226 -44.210 7.143 1.00 70.42 ATOM 1186 HG22 VAL 71 13.998 -45.138 8.428 1.00 35.42 ATOM 1187 HG23 VAL 71 14.962 -44.516 7.088 1.00 2.35 ATOM 1188 C VAL 71 13.477 -41.437 10.252 1.00 35.01 ATOM 1189 O VAL 71 13.630 -41.478 11.475 1.00 72.13 ATOM 1190 N LEU 72 13.539 -40.303 9.556 1.00 3.02 ATOM 1191 HN LEU 72 13.355 -40.327 8.591 1.00 37.96 ATOM 1192 CA LEU 72 13.875 -39.022 10.189 1.00 52.43 ATOM 1193 HA LEU 72 14.852 -39.139 10.636 1.00 61.03 ATOM 1194 CB LEU 72 13.954 -37.893 9.144 1.00 51.24 ATOM 1195 HB1 LEU 72 13.800 -36.950 9.650 1.00 37.96 ATOM 1196 HB2 LEU 72 13.149 -38.031 8.435 1.00 2.12 ATOM 1197 CG LEU 72 15.278 -37.799 8.358 1.00 0.11 ATOM 1198 HG LEU 72 15.232 -36.940 7.702 1.00 32.10 ATOM 1199 CD1 LEU 72 16.456 -37.586 9.309 1.00 24.32 ATOM 1200 HD11 LEU 72 16.307 -36.674 9.870 1.00 54.43 ATOM 1201 HD12 LEU 72 17.370 -37.509 8.739 1.00 35.30 ATOM 1202 HD13 LEU 72 16.528 -38.421 9.993 1.00 31.43 ATOM 1203 CD2 LEU 72 15.500 -39.037 7.490 1.00 43.12 ATOM 1204 HD21 LEU 72 15.581 -39.913 8.119 1.00 2.04 ATOM 1205 HD22 LEU 72 16.409 -38.921 6.917 1.00 54.41 ATOM 1206 HD23 LEU 72 14.665 -39.157 6.815 1.00 35.03 ATOM 1207 C LEU 72 12.888 -38.643 11.309 1.00 23.42 ATOM 1208 O LEU 72 13.294 -38.438 12.451 1.00 20.11 ATOM 1209 N VAL 73 11.599 -38.558 10.991 1.00 11.14 ATOM 1210 HN VAL 73 11.309 -38.803 10.086 1.00 37.96 ATOM 1211 CA VAL 73 10.597 -38.120 11.974 1.00 11.43 ATOM 1212 HA VAL 73 10.856 -37.113 12.274 1.00 23.12 ATOM 1213 CB VAL 73 9.178 -38.083 11.354 1.00 41.22 ATOM 1214 HB VAL 73 8.930 -39.082 11.021 1.00 3.14 ATOM 1215 CG1 VAL 73 8.138 -37.658 12.391 1.00 5.03 ATOM 1216 HG11 VAL 73 8.155 -38.348 13.223 1.00 55.41 ATOM 1217 HG12 VAL 73 7.157 -37.664 11.941 1.00 14.33 ATOM 1218 HG13 VAL 73 8.364 -36.663 12.745 1.00 24.01 ATOM 1219 CG2 VAL 73 9.144 -37.154 10.138 1.00 24.40 ATOM 1220 HG21 VAL 73 9.842 -37.509 9.393 1.00 52.22 ATOM 1221 HG22 VAL 73 9.417 -36.152 10.437 1.00 44.34 ATOM 1222 HG23 VAL 73 8.147 -37.143 9.718 1.00 34.21 ATOM 1223 C VAL 73 10.588 -39.014 13.232 1.00 63.22 ATOM 1224 O VAL 73 10.620 -38.514 14.364 1.00 63.31 ATOM 1225 N THR 74 10.570 -40.332 13.036 1.00 12.13 ATOM 1226 HN THR 74 10.574 -40.680 12.119 1.00 37.96 ATOM 1227 CA THR 74 10.531 -41.273 14.166 1.00 2.52 ATOM 1228 HA THR 74 9.675 -41.008 14.774 1.00 43.34 ATOM 1229 CB THR 74 10.348 -42.745 13.713 1.00 40.30 ATOM 1230 HB THR 74 10.297 -43.368 14.596 1.00 74.53 ATOM 1231 OG1 THR 74 11.464 -43.177 12.914 1.00 52.11 ATOM 1232 HG1 THR 74 11.406 -42.780 12.036 1.00 10.32 ATOM 1233 CG2 THR 74 9.051 -42.923 12.929 1.00 44.33 ATOM 1234 HG21 THR 74 8.952 -43.956 12.627 1.00 64.31 ATOM 1235 HG22 THR 74 9.068 -42.292 12.052 1.00 11.45 ATOM 1236 HG23 THR 74 8.211 -42.650 13.553 1.00 41.41 ATOM 1237 C THR 74 11.789 -41.181 15.044 1.00 40.51 ATOM 1238 O THR 74 11.696 -41.243 16.273 1.00 0.41 ATOM 1239 N GLU 75 12.965 -41.027 14.428 1.00 21.51 ATOM 1240 HN GLU 75 12.993 -40.968 13.446 1.00 37.96 ATOM 1241 CA GLU 75 14.221 -40.956 15.193 1.00 45.44 ATOM 1242 HA GLU 75 14.208 -41.775 15.902 1.00 44.22 ATOM 1243 CB GLU 75 15.449 -41.120 14.281 1.00 72.23 ATOM 1244 HB1 GLU 75 15.292 -41.977 13.641 1.00 37.96 ATOM 1245 HB2 GLU 75 16.317 -41.304 14.899 1.00 73.23 ATOM 1246 CG GLU 75 15.744 -39.914 13.397 1.00 41.23 ATOM 1247 HG1 GLU 75 15.711 -39.019 14.004 1.00 37.96 ATOM 1248 HG2 GLU 75 14.985 -39.852 12.629 1.00 0.33 ATOM 1249 CD GLU 75 17.106 -40.002 12.729 1.00 61.34 ATOM 1250 OE1 GLU 75 17.203 -40.561 11.620 1.00 1.43 ATOM 1251 OE2 GLU 75 18.094 -39.514 13.326 1.00 51.13 ATOM 1252 C GLU 75 14.330 -39.639 15.985 1.00 55.25 ATOM 1253 O GLU 75 15.010 -39.577 17.012 1.00 53.31 ATOM 1254 N LYS 76 13.662 -38.586 15.505 1.00 32.45 ATOM 1255 HN LYS 76 13.175 -38.674 14.656 1.00 37.96 ATOM 1256 CA LYS 76 13.649 -37.298 16.213 1.00 52.33 ATOM 1257 HA LYS 76 14.669 -37.071 16.497 1.00 42.45 ATOM 1258 CB LYS 76 13.125 -36.171 15.305 1.00 52.33 ATOM 1259 HB1 LYS 76 13.142 -35.243 15.861 1.00 37.96 ATOM 1260 HB2 LYS 76 12.102 -36.393 15.033 1.00 51.14 ATOM 1261 CG LYS 76 13.927 -35.972 14.019 1.00 43.44 ATOM 1262 HG1 LYS 76 13.519 -35.125 13.482 1.00 37.96 ATOM 1263 HG2 LYS 76 13.832 -36.857 13.410 1.00 3.34 ATOM 1264 CD LYS 76 15.409 -35.720 14.289 1.00 35.31 ATOM 1265 HD1 LYS 76 15.808 -36.551 14.855 1.00 37.96 ATOM 1266 HD2 LYS 76 15.510 -34.812 14.866 1.00 20.32 ATOM 1267 CE LYS 76 16.206 -35.574 12.995 1.00 0.23 ATOM 1268 HE1 LYS 76 15.826 -34.724 12.445 1.00 37.96 ATOM 1269 HE2 LYS 76 16.078 -36.469 12.403 1.00 62.24 ATOM 1270 NZ LYS 76 17.659 -35.372 13.252 1.00 71.31 ATOM 1271 HZ1 LYS 76 17.807 -34.508 13.810 1.00 62.45 ATOM 1272 HZ2 LYS 76 18.175 -35.282 12.353 1.00 61.10 ATOM 1273 HZ3 LYS 76 18.047 -36.181 13.779 1.00 2.33 ATOM 1274 C LYS 76 12.797 -37.376 17.489 1.00 24.21 ATOM 1275 O LYS 76 12.947 -36.553 18.397 1.00 55.43 ATOM 1276 N GLY 77 11.904 -38.367 17.551 1.00 61.43 ATOM 1277 HN GLY 77 11.827 -38.986 16.795 1.00 37.96 ATOM 1278 CA GLY 77 11.058 -38.550 18.730 1.00 3.05 ATOM 1279 HA1 GLY 77 11.112 -37.661 19.342 1.00 37.96 ATOM 1280 HA2 GLY 77 11.439 -39.384 19.300 1.00 13.42 ATOM 1281 C GLY 77 9.590 -38.824 18.396 1.00 53.21 ATOM 1282 O GLY 77 8.768 -38.997 19.297 1.00 75.31 ATOM 1283 N GLY 78 9.257 -38.861 17.106 1.00 35.10 ATOM 1284 HN GLY 78 9.948 -38.716 16.428 1.00 37.96 ATOM 1285 CA GLY 78 7.877 -39.102 16.687 1.00 55.54 ATOM 1286 HA1 GLY 78 7.312 -39.480 17.528 1.00 37.96 ATOM 1287 HA2 GLY 78 7.878 -39.850 15.908 1.00 50.42 ATOM 1288 C GLY 78 7.190 -37.848 16.157 1.00 13.15 ATOM 1289 O GLY 78 7.651 -36.731 16.406 1.00 74.44 ATOM 1290 N LEU 79 6.080 -38.034 15.441 1.00 21.15 ATOM 1291 HN LEU 79 5.742 -38.955 15.318 1.00 37.96 ATOM 1292 CA LEU 79 5.350 -36.920 14.814 1.00 60.25 ATOM 1293 HA LEU 79 5.955 -36.561 13.996 1.00 61.24 ATOM 1294 CB LEU 79 4.010 -37.416 14.247 1.00 31.31 ATOM 1295 HB1 LEU 79 3.450 -37.871 15.053 1.00 37.96 ATOM 1296 HB2 LEU 79 4.219 -38.176 13.507 1.00 33.23 ATOM 1297 CG LEU 79 3.123 -36.336 13.596 1.00 30.33 ATOM 1298 HG LEU 79 2.891 -35.581 14.334 1.00 32.21 ATOM 1299 CD1 LEU 79 3.852 -35.647 12.443 1.00 62.34 ATOM 1300 HD11 LEU 79 4.767 -35.202 12.810 1.00 12.51 ATOM 1301 HD12 LEU 79 3.222 -34.873 12.029 1.00 44.22 ATOM 1302 HD13 LEU 79 4.085 -36.370 11.676 1.00 10.22 ATOM 1303 CD2 LEU 79 1.804 -36.942 13.117 1.00 63.24 ATOM 1304 HD21 LEU 79 2.002 -37.713 12.386 1.00 22.41 ATOM 1305 HD22 LEU 79 1.192 -36.171 12.670 1.00 2.14 ATOM 1306 HD23 LEU 79 1.279 -37.372 13.959 1.00 41.34 ATOM 1307 C LEU 79 5.109 -35.750 15.786 1.00 42.51 ATOM 1308 O LEU 79 5.462 -34.607 15.490 1.00 74.23 ATOM 1309 N VAL 80 4.527 -36.036 16.948 1.00 45.24 ATOM 1310 HN VAL 80 4.331 -36.976 17.166 1.00 37.96 ATOM 1311 CA VAL 80 4.189 -34.987 17.919 1.00 2.01 ATOM 1312 HA VAL 80 3.544 -34.280 17.414 1.00 5.00 ATOM 1313 CB VAL 80 3.403 -35.571 19.119 1.00 71.45 ATOM 1314 HB VAL 80 3.945 -36.426 19.497 1.00 61.43 ATOM 1315 CG1 VAL 80 3.267 -34.554 20.251 1.00 54.31 ATOM 1316 HG11 VAL 80 2.753 -33.676 19.890 1.00 73.33 ATOM 1317 HG12 VAL 80 4.249 -34.276 20.606 1.00 23.23 ATOM 1318 HG13 VAL 80 2.704 -34.992 21.061 1.00 41.34 ATOM 1319 CG2 VAL 80 2.028 -36.046 18.655 1.00 20.02 ATOM 1320 HG21 VAL 80 2.147 -36.778 17.869 1.00 43.12 ATOM 1321 HG22 VAL 80 1.462 -35.206 18.278 1.00 73.25 ATOM 1322 HG23 VAL 80 1.500 -36.494 19.483 1.00 32.41 ATOM 1323 C VAL 80 5.431 -34.233 18.415 1.00 45.24 ATOM 1324 O VAL 80 5.439 -33.002 18.456 1.00 75.13 ATOM 1325 N GLU 81 6.483 -34.966 18.772 1.00 4.34 ATOM 1326 HN GLU 81 6.427 -35.943 18.717 1.00 37.96 ATOM 1327 CA GLU 81 7.726 -34.340 19.239 1.00 1.53 ATOM 1328 HA GLU 81 7.492 -33.765 20.125 1.00 45.21 ATOM 1329 CB GLU 81 8.765 -35.411 19.599 1.00 14.33 ATOM 1330 HB1 GLU 81 9.016 -35.967 18.706 1.00 37.96 ATOM 1331 HB2 GLU 81 8.330 -36.090 20.320 1.00 1.32 ATOM 1332 CG GLU 81 10.059 -34.850 20.189 1.00 13.54 ATOM 1333 HG1 GLU 81 10.432 -34.081 19.527 1.00 37.96 ATOM 1334 HG2 GLU 81 10.786 -35.647 20.252 1.00 13.24 ATOM 1335 CD GLU 81 9.877 -34.247 21.575 1.00 12.34 ATOM 1336 OE1 GLU 81 9.441 -33.083 21.676 1.00 13.44 ATOM 1337 OE2 GLU 81 10.181 -34.935 22.574 1.00 20.11 ATOM 1338 C GLU 81 8.298 -33.391 18.169 1.00 33.54 ATOM 1339 O GLU 81 8.761 -32.291 18.473 1.00 54.42 ATOM 1340 N VAL 82 8.248 -33.826 16.910 1.00 72.05 ATOM 1341 HN VAL 82 7.900 -34.728 16.732 1.00 37.96 ATOM 1342 CA VAL 82 8.701 -33.001 15.784 1.00 11.13 ATOM 1343 HA VAL 82 9.724 -32.710 15.979 1.00 31.15 ATOM 1344 CB VAL 82 8.671 -33.804 14.455 1.00 4.24 ATOM 1345 HB VAL 82 7.657 -34.139 14.284 1.00 42.14 ATOM 1346 CG1 VAL 82 9.090 -32.931 13.274 1.00 43.34 ATOM 1347 HG11 VAL 82 9.017 -33.501 12.359 1.00 70.41 ATOM 1348 HG12 VAL 82 10.109 -32.601 13.410 1.00 31.34 ATOM 1349 HG13 VAL 82 8.440 -32.070 13.211 1.00 35.23 ATOM 1350 CG2 VAL 82 9.570 -35.038 14.555 1.00 60.21 ATOM 1351 HG21 VAL 82 9.555 -35.576 13.618 1.00 44.14 ATOM 1352 HG22 VAL 82 9.212 -35.684 15.344 1.00 4.10 ATOM 1353 HG23 VAL 82 10.583 -34.731 14.777 1.00 70.41 ATOM 1354 C VAL 82 7.846 -31.728 15.646 1.00 42.22 ATOM 1355 O VAL 82 8.373 -30.626 15.455 1.00 4.30 ATOM 1356 N ILE 83 6.527 -31.887 15.764 1.00 31.21 ATOM 1357 HN ILE 83 6.170 -32.793 15.892 1.00 37.96 ATOM 1358 CA ILE 83 5.593 -30.755 15.712 1.00 3.13 ATOM 1359 HA ILE 83 5.733 -30.251 14.766 1.00 62.14 ATOM 1360 CB ILE 83 4.122 -31.248 15.787 1.00 12.02 ATOM 1361 HB ILE 83 3.994 -31.788 16.717 1.00 21.40 ATOM 1362 CG1 ILE 83 3.810 -32.194 14.615 1.00 4.21 ATOM 1363 HG11 ILE 83 4.527 -33.002 14.611 1.00 37.96 ATOM 1364 HG12 ILE 83 3.888 -31.649 13.685 1.00 11.20 ATOM 1365 CG2 ILE 83 3.151 -30.069 15.792 1.00 51.02 ATOM 1366 HG21 ILE 83 3.289 -29.482 14.895 1.00 2.42 ATOM 1367 HG22 ILE 83 3.340 -29.451 16.658 1.00 51.33 ATOM 1368 HG23 ILE 83 2.134 -30.435 15.830 1.00 51.24 ATOM 1369 CD1 ILE 83 2.425 -32.806 14.676 1.00 14.51 ATOM 1370 HD11 ILE 83 2.327 -33.387 15.582 1.00 35.14 ATOM 1371 HD12 ILE 83 2.277 -33.447 13.820 1.00 23.53 ATOM 1372 HD13 ILE 83 1.682 -32.022 14.670 1.00 52.53 ATOM 1373 C ILE 83 5.861 -29.754 16.853 1.00 50.30 ATOM 1374 O ILE 83 5.697 -28.542 16.689 1.00 41.14 ATOM 1375 N ASN 84 6.278 -30.269 18.008 1.00 44.34 ATOM 1376 HN ASN 84 6.353 -31.246 18.095 1.00 37.96 ATOM 1377 CA ASN 84 6.612 -29.420 19.159 1.00 4.31 ATOM 1378 HA ASN 84 5.841 -28.665 19.239 1.00 50.32 ATOM 1379 CB ASN 84 6.619 -30.250 20.451 1.00 74.14 ATOM 1380 HB1 ASN 84 6.999 -29.645 21.263 1.00 37.96 ATOM 1381 HB2 ASN 84 7.260 -31.111 20.318 1.00 2.42 ATOM 1382 CG ASN 84 5.230 -30.735 20.824 1.00 10.40 ATOM 1383 OD1 ASN 84 4.234 -30.089 20.517 1.00 1.44 ATOM 1384 ND2 ASN 84 5.150 -31.861 21.499 1.00 42.32 ATOM 1385 HD21 ASN 84 5.981 -32.325 21.726 1.00 34.13 ATOM 1386 HD22 ASN 84 4.261 -32.186 21.745 1.00 20.35 ATOM 1387 C ASN 84 7.965 -28.712 18.975 1.00 72.45 ATOM 1388 O ASN 84 8.066 -27.498 19.164 1.00 34.05 ATOM 1389 N LYS 85 8.994 -29.468 18.590 1.00 24.31 ATOM 1390 HN LYS 85 8.845 -30.426 18.429 1.00 37.96 ATOM 1391 CA LYS 85 10.350 -28.918 18.416 1.00 23.32 ATOM 1392 HA LYS 85 10.553 -28.279 19.264 1.00 74.44 ATOM 1393 CB LYS 85 11.383 -30.051 18.401 1.00 52.05 ATOM 1394 HB1 LYS 85 12.360 -29.631 18.200 1.00 37.96 ATOM 1395 HB2 LYS 85 11.130 -30.738 17.607 1.00 44.23 ATOM 1396 CG LYS 85 11.460 -30.840 19.702 1.00 4.31 ATOM 1397 HG1 LYS 85 10.537 -31.388 19.831 1.00 37.96 ATOM 1398 HG2 LYS 85 11.587 -30.151 20.526 1.00 3.51 ATOM 1399 CD LYS 85 12.624 -31.829 19.696 1.00 22.14 ATOM 1400 HD1 LYS 85 12.488 -32.522 18.877 1.00 37.96 ATOM 1401 HD2 LYS 85 12.627 -32.372 20.630 1.00 23.14 ATOM 1402 CE LYS 85 13.968 -31.123 19.532 1.00 35.21 ATOM 1403 HE1 LYS 85 14.082 -30.395 20.323 1.00 37.96 ATOM 1404 HE2 LYS 85 13.982 -30.617 18.577 1.00 2.30 ATOM 1405 NZ LYS 85 15.107 -32.074 19.584 1.00 54.52 ATOM 1406 HZ1 LYS 85 16.006 -31.567 19.464 1.00 70.32 ATOM 1407 HZ2 LYS 85 15.019 -32.779 18.828 1.00 44.54 ATOM 1408 HZ3 LYS 85 15.120 -32.568 20.499 1.00 54.33 ATOM 1409 C LYS 85 10.484 -28.074 17.132 1.00 61.33 ATOM 1410 O LYS 85 11.465 -27.341 16.966 1.00 23.42 ATOM 1411 N LYS 86 9.512 -28.204 16.224 1.00 64.32 ATOM 1412 HN LYS 86 8.807 -28.868 16.385 1.00 37.96 ATOM 1413 CA LYS 86 9.454 -27.400 14.986 1.00 31.32 ATOM 1414 HA LYS 86 8.515 -27.623 14.499 1.00 14.41 ATOM 1415 CB LYS 86 9.497 -25.891 15.308 1.00 20.24 ATOM 1416 HB1 LYS 86 9.283 -25.340 14.403 1.00 37.96 ATOM 1417 HB2 LYS 86 10.493 -25.637 15.638 1.00 74.42 ATOM 1418 CG LYS 86 8.517 -25.433 16.384 1.00 32.00 ATOM 1419 HG1 LYS 86 8.628 -24.365 16.522 1.00 37.96 ATOM 1420 HG2 LYS 86 8.757 -25.937 17.309 1.00 35.34 ATOM 1421 CD LYS 86 7.067 -25.736 16.026 1.00 12.43 ATOM 1422 HD1 LYS 86 6.932 -26.808 15.982 1.00 37.96 ATOM 1423 HD2 LYS 86 6.843 -25.302 15.063 1.00 43.45 ATOM 1424 CE LYS 86 6.109 -25.159 17.062 1.00 74.23 ATOM 1425 HE1 LYS 86 5.116 -25.539 16.870 1.00 37.96 ATOM 1426 HE2 LYS 86 6.104 -24.082 16.968 1.00 12.31 ATOM 1427 NZ LYS 86 6.506 -25.519 18.450 1.00 21.44 ATOM 1428 HZ1 LYS 86 6.621 -26.547 18.539 1.00 22.42 ATOM 1429 HZ2 LYS 86 5.780 -25.205 19.122 1.00 43.10 ATOM 1430 HZ3 LYS 86 7.406 -25.060 18.697 1.00 22.11 ATOM 1431 C LYS 86 10.602 -27.735 14.008 1.00 35.20 ATOM 1432 O LYS 86 10.772 -27.064 12.988 1.00 61.24 ATOM 1433 N LEU 87 11.363 -28.790 14.291 1.00 54.10 ATOM 1434 HN LEU 87 11.097 -29.386 15.020 1.00 37.96 ATOM 1435 CA LEU 87 12.598 -29.076 13.537 1.00 65.54 ATOM 1436 HA LEU 87 13.065 -28.123 13.327 1.00 73.42 ATOM 1437 CB LEU 87 13.580 -29.907 14.399 1.00 2.32 ATOM 1438 HB1 LEU 87 13.587 -29.482 15.393 1.00 37.96 ATOM 1439 HB2 LEU 87 14.569 -29.788 13.979 1.00 14.50 ATOM 1440 CG LEU 87 13.303 -31.421 14.530 1.00 63.51 ATOM 1441 HG LEU 87 13.390 -31.877 13.553 1.00 21.40 ATOM 1442 CD1 LEU 87 14.341 -32.079 15.438 1.00 41.32 ATOM 1443 HD11 LEU 87 14.161 -33.144 15.478 1.00 42.41 ATOM 1444 HD12 LEU 87 14.266 -31.665 16.434 1.00 21.44 ATOM 1445 HD13 LEU 87 15.331 -31.896 15.046 1.00 41.22 ATOM 1446 CD2 LEU 87 11.897 -31.692 15.050 1.00 43.41 ATOM 1447 HD21 LEU 87 11.173 -31.287 14.359 1.00 51.54 ATOM 1448 HD22 LEU 87 11.773 -31.225 16.013 1.00 71.43 ATOM 1449 HD23 LEU 87 11.745 -32.757 15.144 1.00 13.42 ATOM 1450 C LEU 87 12.329 -29.769 12.180 1.00 61.53 ATOM 1451 O LEU 87 13.153 -30.543 11.694 1.00 41.42 ATOM 1452 N TRP 88 11.201 -29.445 11.540 1.00 40.15 ATOM 1453 HN TRP 88 10.566 -28.839 11.972 1.00 37.96 ATOM 1454 CA TRP 88 10.886 -29.981 10.204 1.00 13.24 ATOM 1455 HA TRP 88 10.824 -31.057 10.298 1.00 44.54 ATOM 1456 CB TRP 88 9.529 -29.453 9.714 1.00 42.50 ATOM 1457 HB1 TRP 88 9.437 -29.641 8.653 1.00 37.96 ATOM 1458 HB2 TRP 88 9.479 -28.388 9.887 1.00 4.03 ATOM 1459 CG TRP 88 8.352 -30.091 10.403 1.00 2.42 ATOM 1460 CD1 TRP 88 7.520 -29.522 11.328 1.00 63.34 ATOM 1461 HD1 TRP 88 7.606 -28.506 11.683 1.00 3.21 ATOM 1462 CD2 TRP 88 7.882 -31.432 10.213 1.00 64.43 ATOM 1463 NE1 TRP 88 6.567 -30.430 11.724 1.00 33.01 ATOM 1464 HE1 TRP 88 5.861 -30.263 12.378 1.00 34.03 ATOM 1465 CE2 TRP 88 6.769 -31.609 11.056 1.00 72.30 ATOM 1466 CE3 TRP 88 8.299 -32.503 9.413 1.00 13.42 ATOM 1467 HE3 TRP 88 9.152 -32.408 8.752 1.00 42.33 ATOM 1468 CZ2 TRP 88 6.066 -32.812 11.117 1.00 61.05 ATOM 1469 HZ2 TRP 88 5.213 -32.944 11.765 1.00 11.34 ATOM 1470 CZ3 TRP 88 7.601 -33.695 9.475 1.00 22.03 ATOM 1471 HZ3 TRP 88 7.910 -34.533 8.864 1.00 72.02 ATOM 1472 CH2 TRP 88 6.496 -33.842 10.323 1.00 75.13 ATOM 1473 HH2 TRP 88 5.981 -34.792 10.341 1.00 51.13 ATOM 1474 C TRP 88 11.992 -29.652 9.182 1.00 61.31 ATOM 1475 O TRP 88 12.146 -30.346 8.177 1.00 72.33 ATOM 1476 N ARG 89 12.759 -28.594 9.452 1.00 72.23 ATOM 1477 HN ARG 89 12.526 -28.028 10.214 1.00 37.96 ATOM 1478 CA ARG 89 13.936 -28.248 8.636 1.00 13.41 ATOM 1479 HA ARG 89 13.595 -28.080 7.624 1.00 72.31 ATOM 1480 CB ARG 89 14.583 -26.957 9.163 1.00 14.22 ATOM 1481 HB1 ARG 89 13.958 -26.119 8.886 1.00 37.96 ATOM 1482 HB2 ARG 89 15.552 -26.837 8.699 1.00 5.40 ATOM 1483 CG ARG 89 14.768 -26.931 10.679 1.00 12.51 ATOM 1484 HG1 ARG 89 15.286 -27.830 10.985 1.00 37.96 ATOM 1485 HG2 ARG 89 13.795 -26.901 11.149 1.00 52.44 ATOM 1486 CD ARG 89 15.573 -25.718 11.134 1.00 52.10 ATOM 1487 HD1 ARG 89 15.503 -25.638 12.210 1.00 37.96 ATOM 1488 HD2 ARG 89 15.153 -24.830 10.681 1.00 61.22 ATOM 1489 NE ARG 89 16.983 -25.832 10.758 1.00 61.34 ATOM 1490 HE ARG 89 17.418 -26.696 10.897 1.00 72.52 ATOM 1491 CZ ARG 89 17.704 -24.858 10.273 1.00 70.14 ATOM 1492 NH1 ARG 89 17.185 -23.692 10.051 1.00 22.52 ATOM 1493 HH11 ARG 89 16.222 -23.526 10.252 1.00 43.02 ATOM 1494 HH12 ARG 89 17.749 -22.957 9.675 1.00 41.54 ATOM 1495 NH2 ARG 89 18.954 -25.063 10.015 1.00 3.22 ATOM 1496 HH21 ARG 89 19.357 -25.960 10.192 1.00 75.35 ATOM 1497 HH22 ARG 89 19.515 -24.327 9.637 1.00 14.04 ATOM 1498 C ARG 89 14.970 -29.393 8.622 1.00 44.11 ATOM 1499 O ARG 89 15.660 -29.614 7.625 1.00 24.31 ATOM 1500 N GLU 90 15.072 -30.112 9.739 1.00 20.12 ATOM 1501 HN GLU 90 14.556 -29.841 10.525 1.00 37.96 ATOM 1502 CA GLU 90 15.928 -31.301 9.830 1.00 22.21 ATOM 1503 HA GLU 90 16.929 -31.023 9.530 1.00 33.12 ATOM 1504 CB GLU 90 15.958 -31.816 11.280 1.00 44.41 ATOM 1505 HB1 GLU 90 16.468 -32.770 11.300 1.00 37.96 ATOM 1506 HB2 GLU 90 14.941 -31.960 11.618 1.00 3.14 ATOM 1507 CG GLU 90 16.659 -30.880 12.262 1.00 34.43 ATOM 1508 HG1 GLU 90 16.362 -31.148 13.267 1.00 37.96 ATOM 1509 HG2 GLU 90 16.348 -29.865 12.058 1.00 62.44 ATOM 1510 CD GLU 90 18.176 -30.954 12.163 1.00 0.44 ATOM 1511 OE1 GLU 90 18.762 -30.294 11.277 1.00 72.30 ATOM 1512 OE2 GLU 90 18.793 -31.688 12.965 1.00 24.14 ATOM 1513 C GLU 90 15.417 -32.408 8.899 1.00 14.44 ATOM 1514 O GLU 90 16.199 -33.137 8.285 1.00 45.12 ATOM 1515 N ILE 91 14.094 -32.510 8.796 1.00 64.03 ATOM 1516 HN ILE 91 13.533 -31.868 9.278 1.00 37.96 ATOM 1517 CA ILE 91 13.448 -33.541 7.981 1.00 64.40 ATOM 1518 HA ILE 91 13.896 -34.494 8.232 1.00 44.54 ATOM 1519 CB ILE 91 11.931 -33.620 8.292 1.00 74.11 ATOM 1520 HB ILE 91 11.465 -32.716 7.922 1.00 11.44 ATOM 1521 CG1 ILE 91 11.692 -33.715 9.812 1.00 64.22 ATOM 1522 HG11 ILE 91 10.629 -33.782 9.999 1.00 37.96 ATOM 1523 HG12 ILE 91 12.075 -32.823 10.285 1.00 70.13 ATOM 1524 CG2 ILE 91 11.295 -34.805 7.568 1.00 74.44 ATOM 1525 HG21 ILE 91 11.741 -35.726 7.917 1.00 22.32 ATOM 1526 HG22 ILE 91 11.458 -34.708 6.505 1.00 44.31 ATOM 1527 HG23 ILE 91 10.232 -34.822 7.767 1.00 45.04 ATOM 1528 CD1 ILE 91 12.356 -34.906 10.474 1.00 1.21 ATOM 1529 HD11 ILE 91 12.137 -34.895 11.531 1.00 31.43 ATOM 1530 HD12 ILE 91 13.425 -34.850 10.329 1.00 45.12 ATOM 1531 HD13 ILE 91 11.980 -35.819 10.038 1.00 53.13 ATOM 1532 C ILE 91 13.649 -33.275 6.478 1.00 11.15 ATOM 1533 O ILE 91 14.090 -34.156 5.736 1.00 60.24 ATOM 1534 N THR 92 13.334 -32.054 6.037 1.00 61.53 ATOM 1535 HN THR 92 12.976 -31.395 6.673 1.00 37.96 ATOM 1536 CA THR 92 13.517 -31.663 4.628 1.00 31.12 ATOM 1537 HA THR 92 12.867 -32.284 4.026 1.00 52.15 ATOM 1538 CB THR 92 13.146 -30.181 4.373 1.00 22.15 ATOM 1539 HB THR 92 13.437 -29.925 3.361 1.00 62.42 ATOM 1540 OG1 THR 92 13.856 -29.330 5.282 1.00 4.14 ATOM 1541 HG1 THR 92 13.907 -28.443 4.915 1.00 71.03 ATOM 1542 CG2 THR 92 11.648 -29.950 4.514 1.00 14.20 ATOM 1543 HG21 THR 92 11.323 -30.266 5.496 1.00 45.34 ATOM 1544 HG22 THR 92 11.123 -30.519 3.759 1.00 4.23 ATOM 1545 HG23 THR 92 11.432 -28.900 4.386 1.00 15.43 ATOM 1546 C THR 92 14.961 -31.878 4.171 1.00 51.12 ATOM 1547 O THR 92 15.212 -32.499 3.135 1.00 54.35 ATOM 1548 N LYS 93 15.910 -31.365 4.949 1.00 62.11 ATOM 1549 HN LYS 93 15.647 -30.847 5.741 1.00 37.96 ATOM 1550 CA LYS 93 17.331 -31.539 4.644 1.00 34.10 ATOM 1551 HA LYS 93 17.516 -31.087 3.678 1.00 53.31 ATOM 1552 CB LYS 93 18.196 -30.834 5.697 1.00 51.31 ATOM 1553 HB1 LYS 93 18.111 -31.368 6.633 1.00 37.96 ATOM 1554 HB2 LYS 93 17.825 -29.827 5.835 1.00 64.42 ATOM 1555 CG LYS 93 19.673 -30.756 5.320 1.00 12.54 ATOM 1556 HG1 LYS 93 20.057 -31.760 5.198 1.00 37.96 ATOM 1557 HG2 LYS 93 20.214 -30.254 6.110 1.00 61.34 ATOM 1558 CD LYS 93 19.866 -29.987 4.014 1.00 5.12 ATOM 1559 HD1 LYS 93 19.538 -28.967 4.160 1.00 37.96 ATOM 1560 HD2 LYS 93 19.263 -30.449 3.246 1.00 0.50 ATOM 1561 CE LYS 93 21.316 -29.978 3.550 1.00 3.20 ATOM 1562 HE1 LYS 93 21.659 -30.997 3.450 1.00 37.96 ATOM 1563 HE2 LYS 93 21.916 -29.466 4.290 1.00 41.42 ATOM 1564 NZ LYS 93 21.469 -29.283 2.243 1.00 42.21 ATOM 1565 HZ1 LYS 93 21.256 -28.271 2.349 1.00 5.44 ATOM 1566 HZ2 LYS 93 20.815 -29.688 1.542 1.00 73.35 ATOM 1567 HZ3 LYS 93 22.443 -29.387 1.890 1.00 23.33 ATOM 1568 C LYS 93 17.700 -33.032 4.567 1.00 2.10 ATOM 1569 O LYS 93 18.537 -33.437 3.756 1.00 61.31 ATOM 1570 N GLY 94 17.057 -33.843 5.412 1.00 1.23 ATOM 1571 HN GLY 94 16.426 -33.456 6.057 1.00 37.96 ATOM 1572 CA GLY 94 17.276 -35.288 5.398 1.00 73.23 ATOM 1573 HA1 GLY 94 16.789 -35.719 6.262 1.00 37.96 ATOM 1574 HA2 GLY 94 18.336 -35.482 5.468 1.00 31.14 ATOM 1575 C GLY 94 16.733 -35.968 4.140 1.00 33.34 ATOM 1576 O GLY 94 17.203 -37.039 3.754 1.00 32.42 ATOM 1577 N LEU 95 15.740 -35.346 3.503 1.00 61.12 ATOM 1578 HN LEU 95 15.377 -34.516 3.883 1.00 37.96 ATOM 1579 CA LEU 95 15.165 -35.862 2.252 1.00 52.10 ATOM 1580 HA LEU 95 15.310 -36.932 2.228 1.00 32.04 ATOM 1581 CB LEU 95 13.660 -35.555 2.203 1.00 22.14 ATOM 1582 HB1 LEU 95 13.246 -36.035 1.327 1.00 37.96 ATOM 1583 HB2 LEU 95 13.538 -34.486 2.095 1.00 3.32 ATOM 1584 CG LEU 95 12.849 -36.010 3.428 1.00 61.12 ATOM 1585 HG LEU 95 13.228 -35.504 4.306 1.00 62.04 ATOM 1586 CD1 LEU 95 11.380 -35.628 3.275 1.00 44.14 ATOM 1587 HD11 LEU 95 10.832 -35.949 4.148 1.00 35.55 ATOM 1588 HD12 LEU 95 10.969 -36.107 2.397 1.00 72.33 ATOM 1589 HD13 LEU 95 11.294 -34.556 3.172 1.00 42.52 ATOM 1590 CD2 LEU 95 13.001 -37.512 3.653 1.00 15.35 ATOM 1591 HD21 LEU 95 12.640 -38.047 2.786 1.00 71.21 ATOM 1592 HD22 LEU 95 12.432 -37.807 4.522 1.00 11.12 ATOM 1593 HD23 LEU 95 14.043 -37.748 3.813 1.00 64.30 ATOM 1594 C LEU 95 15.864 -35.236 1.032 1.00 21.42 ATOM 1595 O LEU 95 15.463 -35.463 -0.111 1.00 1.40 ATOM 1596 N ASN 96 16.914 -34.451 1.302 1.00 11.33 ATOM 1597 HN ASN 96 17.196 -34.358 2.236 1.00 37.96 ATOM 1598 CA ASN 96 17.667 -33.723 0.268 1.00 62.02 ATOM 1599 HA ASN 96 18.521 -33.276 0.757 1.00 32.41 ATOM 1600 CB ASN 96 18.169 -34.684 -0.826 1.00 41.11 ATOM 1601 HB1 ASN 96 17.337 -34.969 -1.453 1.00 37.96 ATOM 1602 HB2 ASN 96 18.578 -35.569 -0.359 1.00 4.10 ATOM 1603 CG ASN 96 19.249 -34.074 -1.709 1.00 32.13 ATOM 1604 OD1 ASN 96 19.327 -34.356 -2.900 1.00 64.14 ATOM 1605 ND2 ASN 96 20.109 -33.255 -1.132 1.00 63.12 ATOM 1606 HD21 ASN 96 20.020 -33.082 -0.173 1.00 53.02 ATOM 1607 HD22 ASN 96 20.805 -32.854 -1.690 1.00 11.04 ATOM 1608 C ASN 96 16.817 -32.586 -0.341 1.00 74.51 ATOM 1609 O ASN 96 17.076 -32.117 -1.453 1.00 74.21 ATOM 1610 N LEU 97 15.816 -32.136 0.415 1.00 31.21 ATOM 1611 HN LEU 97 15.664 -32.551 1.288 1.00 37.96 ATOM 1612 CA LEU 97 14.934 -31.043 -0.011 1.00 41.34 ATOM 1613 HA LEU 97 14.879 -31.057 -1.090 1.00 63.42 ATOM 1614 CB LEU 97 13.521 -31.257 0.566 1.00 13.11 ATOM 1615 HB1 LEU 97 12.877 -30.480 0.179 1.00 37.96 ATOM 1616 HB2 LEU 97 13.572 -31.152 1.643 1.00 74.13 ATOM 1617 CG LEU 97 12.877 -32.614 0.245 1.00 13.31 ATOM 1618 HG LEU 97 13.472 -33.395 0.695 1.00 25.22 ATOM 1619 CD1 LEU 97 11.474 -32.702 0.837 1.00 33.32 ATOM 1620 HD11 LEU 97 11.530 -32.603 1.911 1.00 42.52 ATOM 1621 HD12 LEU 97 11.036 -33.657 0.588 1.00 75.53 ATOM 1622 HD13 LEU 97 10.859 -31.909 0.435 1.00 73.11 ATOM 1623 CD2 LEU 97 12.849 -32.863 -1.258 1.00 25.03 ATOM 1624 HD21 LEU 97 12.419 -33.834 -1.453 1.00 53.43 ATOM 1625 HD22 LEU 97 13.857 -32.834 -1.645 1.00 53.13 ATOM 1626 HD23 LEU 97 12.254 -32.100 -1.741 1.00 74.22 ATOM 1627 C LEU 97 15.480 -29.676 0.443 1.00 32.04 ATOM 1628 O LEU 97 16.353 -29.602 1.315 1.00 10.13 ATOM 1629 N PRO 98 14.986 -28.569 -0.150 1.00 61.52 ATOM 1630 CA PRO 98 15.351 -27.215 0.289 1.00 71.35 ATOM 1631 HA PRO 98 16.425 -27.078 0.284 1.00 5.24 ATOM 1632 CB PRO 98 14.709 -26.286 -0.762 1.00 64.43 ATOM 1633 HB1 PRO 98 15.449 -25.582 -1.118 1.00 37.96 ATOM 1634 HB2 PRO 98 13.887 -25.744 -0.314 1.00 23.10 ATOM 1635 CG PRO 98 14.229 -27.171 -1.869 1.00 52.51 ATOM 1636 HG1 PRO 98 14.959 -27.191 -2.666 1.00 37.96 ATOM 1637 HG2 PRO 98 13.282 -26.803 -2.241 1.00 51.02 ATOM 1638 CD PRO 98 14.050 -28.547 -1.286 1.00 12.34 ATOM 1639 HD1 PRO 98 14.310 -29.303 -2.014 1.00 37.96 ATOM 1640 HD2 PRO 98 13.033 -28.686 -0.946 1.00 12.32 ATOM 1641 C PRO 98 14.804 -26.887 1.691 1.00 64.40 ATOM 1642 O PRO 98 13.643 -27.168 1.999 1.00 75.15 ATOM 1643 N THR 99 15.638 -26.283 2.533 1.00 64.11 ATOM 1644 HN THR 99 16.556 -26.093 2.239 1.00 37.96 ATOM 1645 CA THR 99 15.217 -25.883 3.885 1.00 30.32 ATOM 1646 HA THR 99 14.472 -26.593 4.222 1.00 4.13 ATOM 1647 CB THR 99 16.402 -25.920 4.886 1.00 34.12 ATOM 1648 HB THR 99 16.743 -26.944 4.966 1.00 60.31 ATOM 1649 OG1 THR 99 15.982 -25.476 6.187 1.00 64.52 ATOM 1650 HG1 THR 99 15.607 -24.590 6.120 1.00 61.22 ATOM 1651 CG2 THR 99 17.570 -25.066 4.401 1.00 73.34 ATOM 1652 HG21 THR 99 17.892 -25.413 3.429 1.00 12.41 ATOM 1653 HG22 THR 99 18.391 -25.148 5.099 1.00 5.15 ATOM 1654 HG23 THR 99 17.259 -24.034 4.330 1.00 33.44 ATOM 1655 C THR 99 14.584 -24.481 3.884 1.00 50.14 ATOM 1656 O THR 99 14.122 -23.992 4.915 1.00 31.22 ATOM 1657 N SER 100 14.562 -23.840 2.714 1.00 15.31 ATOM 1658 HN SER 100 14.975 -24.267 1.934 1.00 37.96 ATOM 1659 CA SER 100 13.966 -22.501 2.565 1.00 2.41 ATOM 1660 HA SER 100 13.945 -22.038 3.542 1.00 1.40 ATOM 1661 CB SER 100 14.831 -21.637 1.631 1.00 13.25 ATOM 1662 HB1 SER 100 14.827 -22.069 0.641 1.00 37.96 ATOM 1663 HB2 SER 100 15.843 -21.611 2.005 1.00 3.14 ATOM 1664 OG SER 100 14.344 -20.302 1.546 1.00 53.52 ATOM 1665 HG SER 100 13.428 -20.312 1.249 1.00 34.24 ATOM 1666 C SER 100 12.522 -22.567 2.026 1.00 73.43 ATOM 1667 O SER 100 11.978 -21.563 1.555 1.00 21.04 ATOM 1668 N ILE 101 11.898 -23.745 2.093 1.00 11.44 ATOM 1669 HN ILE 101 12.387 -24.526 2.426 1.00 37.96 ATOM 1670 CA ILE 101 10.491 -23.894 1.689 1.00 34.41 ATOM 1671 HA ILE 101 10.340 -23.301 0.795 1.00 5.23 ATOM 1672 CB ILE 101 10.133 -25.370 1.362 1.00 62.22 ATOM 1673 HB ILE 101 10.338 -25.966 2.239 1.00 62.34 ATOM 1674 CG1 ILE 101 10.988 -25.898 0.198 1.00 33.22 ATOM 1675 HG11 ILE 101 12.033 -25.762 0.436 1.00 37.96 ATOM 1676 HG12 ILE 101 10.754 -25.343 -0.699 1.00 32.35 ATOM 1677 CG2 ILE 101 8.642 -25.506 1.033 1.00 71.22 ATOM 1678 HG21 ILE 101 8.403 -24.886 0.181 1.00 4.22 ATOM 1679 HG22 ILE 101 8.053 -25.192 1.882 1.00 45.53 ATOM 1680 HG23 ILE 101 8.414 -26.538 0.801 1.00 14.51 ATOM 1681 CD1 ILE 101 10.767 -27.368 -0.101 1.00 64.23 ATOM 1682 HD11 ILE 101 11.408 -27.668 -0.916 1.00 72.41 ATOM 1683 HD12 ILE 101 9.735 -27.529 -0.376 1.00 42.33 ATOM 1684 HD13 ILE 101 11.002 -27.954 0.776 1.00 5.23 ATOM 1685 C ILE 101 9.556 -23.367 2.796 1.00 64.21 ATOM 1686 O ILE 101 9.424 -23.980 3.857 1.00 32.32 ATOM 1687 N THR 102 8.906 -22.231 2.529 1.00 22.13 ATOM 1688 HN THR 102 8.965 -21.859 1.623 1.00 37.96 ATOM 1689 CA THR 102 8.116 -21.500 3.541 1.00 53.43 ATOM 1690 HA THR 102 8.814 -21.064 4.242 1.00 55.11 ATOM 1691 CB THR 102 7.316 -20.342 2.891 1.00 0.50 ATOM 1692 HB THR 102 6.544 -20.766 2.263 1.00 52.32 ATOM 1693 OG1 THR 102 8.184 -19.536 2.076 1.00 53.43 ATOM 1694 HG1 THR 102 8.575 -18.834 2.616 1.00 13.53 ATOM 1695 CG2 THR 102 6.655 -19.462 3.949 1.00 4.45 ATOM 1696 HG21 THR 102 6.123 -18.655 3.467 1.00 55.43 ATOM 1697 HG22 THR 102 7.412 -19.053 4.603 1.00 12.55 ATOM 1698 HG23 THR 102 5.961 -20.054 4.528 1.00 53.53 ATOM 1699 C THR 102 7.130 -22.392 4.319 1.00 32.21 ATOM 1700 O THR 102 7.115 -22.386 5.551 1.00 71.12 ATOM 1701 N SER 103 6.302 -23.153 3.602 1.00 23.51 ATOM 1702 HN SER 103 6.405 -23.186 2.627 1.00 37.96 ATOM 1703 CA SER 103 5.239 -23.950 4.239 1.00 61.14 ATOM 1704 HA SER 103 5.085 -23.560 5.235 1.00 74.44 ATOM 1705 CB SER 103 3.927 -23.805 3.455 1.00 52.43 ATOM 1706 HB1 SER 103 3.655 -22.760 3.402 1.00 37.96 ATOM 1707 HB2 SER 103 3.143 -24.354 3.961 1.00 43.32 ATOM 1708 OG SER 103 4.052 -24.307 2.132 1.00 1.30 ATOM 1709 HG SER 103 3.291 -24.864 1.929 1.00 25.43 ATOM 1710 C SER 103 5.603 -25.438 4.354 1.00 43.44 ATOM 1711 O SER 103 4.725 -26.278 4.563 1.00 1.13 ATOM 1712 N ALA 104 6.895 -25.760 4.253 1.00 54.42 ATOM 1713 HN ALA 104 7.553 -25.046 4.109 1.00 37.96 ATOM 1714 CA ALA 104 7.356 -27.156 4.354 1.00 62.35 ATOM 1715 HA ALA 104 6.967 -27.697 3.500 1.00 15.42 ATOM 1716 CB ALA 104 8.877 -27.220 4.299 1.00 61.53 ATOM 1717 HB1 ALA 104 9.292 -26.689 5.144 1.00 3.15 ATOM 1718 HB2 ALA 104 9.223 -26.765 3.384 1.00 33.01 ATOM 1719 HB3 ALA 104 9.197 -28.252 4.331 1.00 40.34 ATOM 1720 C ALA 104 6.853 -27.830 5.639 1.00 42.24 ATOM 1721 O ALA 104 6.289 -28.925 5.603 1.00 72.25 ATOM 1722 N ALA 105 7.050 -27.153 6.770 1.00 24.04 ATOM 1723 HN ALA 105 7.493 -26.281 6.724 1.00 37.96 ATOM 1724 CA ALA 105 6.630 -27.671 8.078 1.00 61.42 ATOM 1725 HA ALA 105 7.158 -28.599 8.251 1.00 1.21 ATOM 1726 CB ALA 105 7.030 -26.692 9.176 1.00 32.53 ATOM 1727 HB1 ALA 105 6.503 -25.759 9.038 1.00 14.10 ATOM 1728 HB2 ALA 105 8.095 -26.512 9.129 1.00 4.01 ATOM 1729 HB3 ALA 105 6.780 -27.107 10.142 1.00 42.45 ATOM 1730 C ALA 105 5.118 -27.940 8.135 1.00 14.31 ATOM 1731 O ALA 105 4.662 -28.832 8.847 1.00 42.15 ATOM 1732 N PHE 106 4.348 -27.157 7.383 1.00 21.42 ATOM 1733 HN PHE 106 4.769 -26.471 6.828 1.00 37.96 ATOM 1734 CA PHE 106 2.892 -27.304 7.349 1.00 11.52 ATOM 1735 HA PHE 106 2.549 -27.444 8.366 1.00 55.24 ATOM 1736 CB PHE 106 2.250 -26.029 6.781 1.00 61.33 ATOM 1737 HB1 PHE 106 2.611 -25.874 5.773 1.00 37.96 ATOM 1738 HB2 PHE 106 2.541 -25.186 7.391 1.00 10.43 ATOM 1739 CG PHE 106 0.742 -26.073 6.737 1.00 52.41 ATOM 1740 CD1 PHE 106 0.071 -26.338 5.550 1.00 33.42 ATOM 1741 HD1 PHE 106 0.639 -26.516 4.647 1.00 41.42 ATOM 1742 CD2 PHE 106 -0.002 -25.850 7.885 1.00 43.03 ATOM 1743 HD2 PHE 106 0.511 -25.644 8.816 1.00 50.12 ATOM 1744 CE1 PHE 106 -1.311 -26.381 5.513 1.00 72.34 ATOM 1745 HE1 PHE 106 -1.822 -26.589 4.584 1.00 54.52 ATOM 1746 CE2 PHE 106 -1.383 -25.891 7.853 1.00 50.41 ATOM 1747 HE2 PHE 106 -1.949 -25.714 8.756 1.00 24.11 ATOM 1748 CZ PHE 106 -2.039 -26.155 6.665 1.00 45.53 ATOM 1749 HZ PHE 106 -3.119 -26.189 6.638 1.00 23.40 ATOM 1750 C PHE 106 2.473 -28.525 6.514 1.00 60.52 ATOM 1751 O PHE 106 1.746 -29.399 6.990 1.00 61.51 ATOM 1752 N THR 107 2.947 -28.579 5.268 1.00 54.12 ATOM 1753 HN THR 107 3.542 -27.863 4.953 1.00 37.96 ATOM 1754 CA THR 107 2.597 -29.669 4.347 1.00 3.34 ATOM 1755 HA THR 107 1.518 -29.694 4.266 1.00 4.04 ATOM 1756 CB THR 107 3.177 -29.417 2.931 1.00 55.41 ATOM 1757 HB THR 107 4.252 -29.331 3.008 1.00 64.13 ATOM 1758 OG1 THR 107 2.652 -28.189 2.391 1.00 55.13 ATOM 1759 HG1 THR 107 2.216 -28.370 1.547 1.00 12.54 ATOM 1760 CG2 THR 107 2.848 -30.569 1.981 1.00 54.53 ATOM 1761 HG21 THR 107 3.239 -31.493 2.382 1.00 40.44 ATOM 1762 HG22 THR 107 3.296 -30.379 1.016 1.00 13.25 ATOM 1763 HG23 THR 107 1.776 -30.650 1.869 1.00 25.14 ATOM 1764 C THR 107 3.084 -31.036 4.859 1.00 73.41 ATOM 1765 O THR 107 2.317 -31.999 4.902 1.00 31.00 ATOM 1766 N LEU 108 4.357 -31.114 5.251 1.00 10.43 ATOM 1767 HN LEU 108 4.916 -30.307 5.219 1.00 37.96 ATOM 1768 CA LEU 108 4.945 -32.373 5.740 1.00 25.25 ATOM 1769 HA LEU 108 4.891 -33.092 4.935 1.00 11.42 ATOM 1770 CB LEU 108 6.419 -32.171 6.120 1.00 51.31 ATOM 1771 HB1 LEU 108 6.774 -33.076 6.594 1.00 37.96 ATOM 1772 HB2 LEU 108 6.473 -31.366 6.841 1.00 74.52 ATOM 1773 CG LEU 108 7.365 -31.838 4.957 1.00 71.14 ATOM 1774 HG LEU 108 7.051 -30.907 4.504 1.00 1.14 ATOM 1775 CD1 LEU 108 8.789 -31.648 5.471 1.00 3.33 ATOM 1776 HD11 LEU 108 8.815 -30.819 6.165 1.00 21.33 ATOM 1777 HD12 LEU 108 9.448 -31.439 4.641 1.00 12.52 ATOM 1778 HD13 LEU 108 9.118 -32.547 5.972 1.00 4.21 ATOM 1779 CD2 LEU 108 7.312 -32.929 3.885 1.00 64.45 ATOM 1780 HD21 LEU 108 7.984 -32.674 3.079 1.00 75.21 ATOM 1781 HD22 LEU 108 6.306 -33.008 3.500 1.00 64.02 ATOM 1782 HD23 LEU 108 7.608 -33.876 4.314 1.00 63.45 ATOM 1783 C LEU 108 4.181 -32.931 6.949 1.00 72.43 ATOM 1784 O LEU 108 3.908 -34.129 7.023 1.00 23.31 ATOM 1785 N ARG 109 3.846 -32.053 7.892 1.00 61.41 ATOM 1786 HN ARG 109 4.098 -31.112 7.773 1.00 37.96 ATOM 1787 CA ARG 109 3.116 -32.443 9.104 1.00 62.01 ATOM 1788 HA ARG 109 3.748 -33.113 9.669 1.00 64.30 ATOM 1789 CB ARG 109 2.832 -31.196 9.953 1.00 1.01 ATOM 1790 HB1 ARG 109 2.240 -30.506 9.366 1.00 37.96 ATOM 1791 HB2 ARG 109 3.773 -30.723 10.198 1.00 11.43 ATOM 1792 CG ARG 109 2.087 -31.476 11.255 1.00 2.45 ATOM 1793 HG1 ARG 109 2.678 -32.151 11.858 1.00 37.96 ATOM 1794 HG2 ARG 109 1.136 -31.935 11.024 1.00 2.33 ATOM 1795 CD ARG 109 1.838 -30.194 12.043 1.00 30.54 ATOM 1796 HD1 ARG 109 2.791 -29.754 12.307 1.00 37.96 ATOM 1797 HD2 ARG 109 1.295 -30.441 12.945 1.00 61.45 ATOM 1798 NE ARG 109 1.059 -29.227 11.275 1.00 1.35 ATOM 1799 HE ARG 109 0.322 -29.572 10.733 1.00 54.31 ATOM 1800 CZ ARG 109 1.274 -27.941 11.265 1.00 55.20 ATOM 1801 NH1 ARG 109 2.244 -27.424 11.947 1.00 53.24 ATOM 1802 HH11 ARG 109 2.840 -28.010 12.491 1.00 24.32 ATOM 1803 HH12 ARG 109 2.398 -26.444 11.929 1.00 75.05 ATOM 1804 NH2 ARG 109 0.515 -27.176 10.555 1.00 24.11 ATOM 1805 HH21 ARG 109 -0.228 -27.578 10.017 1.00 74.31 ATOM 1806 HH22 ARG 109 0.669 -26.194 10.541 1.00 30.42 ATOM 1807 C ARG 109 1.801 -33.169 8.768 1.00 51.23 ATOM 1808 O ARG 109 1.479 -34.205 9.356 1.00 22.40 ATOM 1809 N THR 110 1.051 -32.621 7.816 1.00 23.34 ATOM 1810 HN THR 110 1.354 -31.789 7.392 1.00 37.96 ATOM 1811 CA THR 110 -0.219 -33.220 7.387 1.00 72.23 ATOM 1812 HA THR 110 -0.786 -33.459 8.277 1.00 62.22 ATOM 1813 CB THR 110 -1.053 -32.227 6.538 1.00 53.20 ATOM 1814 HB THR 110 -0.473 -31.945 5.670 1.00 11.41 ATOM 1815 OG1 THR 110 -1.341 -31.046 7.305 1.00 53.34 ATOM 1816 HG1 THR 110 -2.232 -31.110 7.668 1.00 5.21 ATOM 1817 CG2 THR 110 -2.362 -32.858 6.066 1.00 1.30 ATOM 1818 HG21 THR 110 -2.147 -33.711 5.439 1.00 43.22 ATOM 1819 HG22 THR 110 -2.930 -32.132 5.502 1.00 74.34 ATOM 1820 HG23 THR 110 -2.939 -33.178 6.922 1.00 72.35 ATOM 1821 C THR 110 0.004 -34.512 6.583 1.00 3.35 ATOM 1822 O THR 110 -0.629 -35.536 6.845 1.00 51.01 ATOM 1823 N GLN 111 0.916 -34.463 5.611 1.00 62.53 ATOM 1824 HN GLN 111 1.406 -33.625 5.461 1.00 37.96 ATOM 1825 CA GLN 111 1.211 -35.627 4.761 1.00 43.41 ATOM 1826 HA GLN 111 0.295 -35.899 4.254 1.00 11.12 ATOM 1827 CB GLN 111 2.270 -35.267 3.707 1.00 34.31 ATOM 1828 HB1 GLN 111 2.516 -36.156 3.142 1.00 37.96 ATOM 1829 HB2 GLN 111 3.159 -34.918 4.213 1.00 25.45 ATOM 1830 CG GLN 111 1.827 -34.184 2.724 1.00 13.42 ATOM 1831 HG1 GLN 111 2.652 -33.956 2.063 1.00 37.96 ATOM 1832 HG2 GLN 111 1.562 -33.298 3.282 1.00 75.22 ATOM 1833 CD GLN 111 0.629 -34.596 1.882 1.00 3.00 ATOM 1834 OE1 GLN 111 0.424 -35.770 1.597 1.00 33.50 ATOM 1835 NE2 GLN 111 -0.166 -33.632 1.463 1.00 1.43 ATOM 1836 HE21 GLN 111 0.048 -32.708 1.715 1.00 34.21 ATOM 1837 HE22 GLN 111 -0.936 -33.880 0.917 1.00 52.23 ATOM 1838 C GLN 111 1.685 -36.831 5.591 1.00 71.05 ATOM 1839 O GLN 111 1.167 -37.941 5.448 1.00 25.22 ATOM 1840 N TYR 112 2.663 -36.605 6.467 1.00 64.23 ATOM 1841 HN TYR 112 3.051 -35.706 6.527 1.00 37.96 ATOM 1842 CA TYR 112 3.174 -37.665 7.345 1.00 1.32 ATOM 1843 HA TYR 112 3.594 -38.440 6.718 1.00 3.53 ATOM 1844 CB TYR 112 4.272 -37.113 8.265 1.00 13.31 ATOM 1845 HB1 TYR 112 3.837 -36.383 8.933 1.00 37.96 ATOM 1846 HB2 TYR 112 5.025 -36.629 7.660 1.00 13.53 ATOM 1847 CG TYR 112 4.965 -38.172 9.111 1.00 33.14 ATOM 1848 CD1 TYR 112 4.543 -38.453 10.409 1.00 54.42 ATOM 1849 HD1 TYR 112 3.699 -37.914 10.816 1.00 22.33 ATOM 1850 CD2 TYR 112 6.051 -38.881 8.613 1.00 54.43 ATOM 1851 HD2 TYR 112 6.392 -38.677 7.609 1.00 62.21 ATOM 1852 CE1 TYR 112 5.181 -39.410 11.176 1.00 31.34 ATOM 1853 HE1 TYR 112 4.838 -39.613 12.181 1.00 45.32 ATOM 1854 CE2 TYR 112 6.691 -39.840 9.372 1.00 70.31 ATOM 1855 HE2 TYR 112 7.534 -40.379 8.961 1.00 64.02 ATOM 1856 CZ TYR 112 6.257 -40.099 10.653 1.00 20.34 ATOM 1857 OH TYR 112 6.900 -41.051 11.410 1.00 21.52 ATOM 1858 HH TYR 112 6.364 -41.263 12.186 1.00 34.32 ATOM 1859 C TYR 112 2.040 -38.265 8.185 1.00 13.12 ATOM 1860 O TYR 112 1.967 -39.480 8.373 1.00 53.04 ATOM 1861 N MET 113 1.151 -37.398 8.670 1.00 21.10 ATOM 1862 HN MET 113 1.264 -36.443 8.471 1.00 37.96 ATOM 1863 CA MET 113 0.012 -37.817 9.494 1.00 70.25 ATOM 1864 HA MET 113 0.404 -38.339 10.354 1.00 12.23 ATOM 1865 CB MET 113 -0.757 -36.582 9.976 1.00 74.01 ATOM 1866 HB1 MET 113 -1.221 -36.105 9.123 1.00 37.96 ATOM 1867 HB2 MET 113 -0.056 -35.892 10.421 1.00 52.34 ATOM 1868 CG MET 113 -1.841 -36.884 11.002 1.00 43.14 ATOM 1869 HG1 MET 113 -1.387 -37.358 11.861 1.00 37.96 ATOM 1870 HG2 MET 113 -2.563 -37.557 10.561 1.00 13.35 ATOM 1871 SD MET 113 -2.701 -35.396 11.551 1.00 64.03 ATOM 1872 CE MET 113 -1.327 -34.394 12.121 1.00 22.43 ATOM 1873 HE1 MET 113 -0.805 -34.915 12.910 1.00 24.04 ATOM 1874 HE2 MET 113 -1.700 -33.453 12.498 1.00 54.54 ATOM 1875 HE3 MET 113 -0.650 -34.210 11.301 1.00 31.23 ATOM 1876 C MET 113 -0.930 -38.763 8.728 1.00 54.24 ATOM 1877 O MET 113 -1.509 -39.686 9.305 1.00 53.05 ATOM 1878 N LYS 114 -1.076 -38.530 7.429 1.00 55.44 ATOM 1879 HN LYS 114 -0.588 -37.782 7.023 1.00 37.96 ATOM 1880 CA LYS 114 -1.956 -39.347 6.587 1.00 45.33 ATOM 1881 HA LYS 114 -2.875 -39.516 7.132 1.00 73.33 ATOM 1882 CB LYS 114 -2.283 -38.592 5.290 1.00 74.24 ATOM 1883 HB1 LYS 114 -2.933 -39.208 4.683 1.00 37.96 ATOM 1884 HB2 LYS 114 -1.363 -38.417 4.750 1.00 25.41 ATOM 1885 CG LYS 114 -2.970 -37.247 5.513 1.00 0.23 ATOM 1886 HG1 LYS 114 -2.369 -36.656 6.191 1.00 37.96 ATOM 1887 HG2 LYS 114 -3.942 -37.419 5.955 1.00 74.13 ATOM 1888 CD LYS 114 -3.154 -36.471 4.208 1.00 23.21 ATOM 1889 HD1 LYS 114 -2.184 -36.304 3.759 1.00 37.96 ATOM 1890 HD2 LYS 114 -3.612 -35.519 4.432 1.00 1.30 ATOM 1891 CE LYS 114 -4.038 -37.220 3.214 1.00 72.14 ATOM 1892 HE1 LYS 114 -4.992 -37.422 3.679 1.00 37.96 ATOM 1893 HE2 LYS 114 -3.560 -38.153 2.956 1.00 50.42 ATOM 1894 NZ LYS 114 -4.264 -36.434 1.971 1.00 64.43 ATOM 1895 HZ1 LYS 114 -3.378 -36.342 1.436 1.00 14.41 ATOM 1896 HZ2 LYS 114 -4.610 -35.484 2.207 1.00 62.44 ATOM 1897 HZ3 LYS 114 -4.973 -36.905 1.369 1.00 1.34 ATOM 1898 C LYS 114 -1.330 -40.711 6.241 1.00 74.31 ATOM 1899 O LYS 114 -1.967 -41.754 6.395 1.00 3.22 ATOM 1900 N TYR 115 -0.079 -40.694 5.777 1.00 31.53 ATOM 1901 HN TYR 115 0.425 -39.853 5.802 1.00 37.96 ATOM 1902 CA TYR 115 0.559 -41.900 5.221 1.00 20.25 ATOM 1903 HA TYR 115 -0.224 -42.528 4.822 1.00 10.10 ATOM 1904 CB TYR 115 1.496 -41.504 4.065 1.00 20.52 ATOM 1905 HB1 TYR 115 1.990 -42.392 3.693 1.00 37.96 ATOM 1906 HB2 TYR 115 2.243 -40.818 4.439 1.00 12.41 ATOM 1907 CG TYR 115 0.792 -40.830 2.893 1.00 3.31 ATOM 1908 CD1 TYR 115 0.607 -41.492 1.681 1.00 52.45 ATOM 1909 HD1 TYR 115 0.972 -42.504 1.574 1.00 31.23 ATOM 1910 CD2 TYR 115 0.311 -39.530 3.001 1.00 24.02 ATOM 1911 HD2 TYR 115 0.443 -39.000 3.932 1.00 42.53 ATOM 1912 CE1 TYR 115 -0.032 -40.876 0.618 1.00 12.41 ATOM 1913 HE1 TYR 115 -0.166 -41.408 -0.315 1.00 4.55 ATOM 1914 CE2 TYR 115 -0.329 -38.911 1.947 1.00 3.14 ATOM 1915 HE2 TYR 115 -0.695 -37.900 2.058 1.00 50.01 ATOM 1916 CZ TYR 115 -0.500 -39.584 0.757 1.00 24.42 ATOM 1917 OH TYR 115 -1.136 -38.958 -0.297 1.00 51.23 ATOM 1918 HH TYR 115 -1.720 -39.583 -0.741 1.00 21.51 ATOM 1919 C TYR 115 1.352 -42.715 6.264 1.00 10.12 ATOM 1920 O TYR 115 1.157 -43.924 6.392 1.00 2.25 ATOM 1921 N LEU 116 2.237 -42.057 7.013 1.00 22.32 ATOM 1922 HN LEU 116 2.235 -41.077 7.005 1.00 37.96 ATOM 1923 CA LEU 116 3.212 -42.772 7.859 1.00 43.11 ATOM 1924 HA LEU 116 3.267 -43.790 7.500 1.00 74.32 ATOM 1925 CB LEU 116 4.597 -42.133 7.697 1.00 35.11 ATOM 1926 HB1 LEU 116 5.287 -42.643 8.356 1.00 37.96 ATOM 1927 HB2 LEU 116 4.532 -41.098 8.004 1.00 11.44 ATOM 1928 CG LEU 116 5.170 -42.182 6.270 1.00 74.13 ATOM 1929 HG LEU 116 4.472 -41.711 5.594 1.00 14.31 ATOM 1930 CD1 LEU 116 6.484 -41.418 6.189 1.00 12.25 ATOM 1931 HD11 LEU 116 7.195 -41.845 6.884 1.00 41.33 ATOM 1932 HD12 LEU 116 6.314 -40.382 6.440 1.00 45.34 ATOM 1933 HD13 LEU 116 6.879 -41.483 5.185 1.00 54.02 ATOM 1934 CD2 LEU 116 5.362 -43.627 5.816 1.00 35.52 ATOM 1935 HD21 LEU 116 4.412 -44.141 5.836 1.00 50.32 ATOM 1936 HD22 LEU 116 6.054 -44.127 6.478 1.00 22.13 ATOM 1937 HD23 LEU 116 5.756 -43.640 4.809 1.00 54.10 ATOM 1938 C LEU 116 2.818 -42.815 9.347 1.00 13.22 ATOM 1939 O LEU 116 3.227 -43.724 10.074 1.00 42.22 ATOM 1940 N TYR 117 2.019 -41.848 9.795 1.00 70.35 ATOM 1941 HN TYR 117 1.712 -41.159 9.170 1.00 37.96 ATOM 1942 CA TYR 117 1.582 -41.787 11.201 1.00 2.15 ATOM 1943 HA TYR 117 2.468 -41.637 11.802 1.00 23.12 ATOM 1944 CB TYR 117 0.642 -40.595 11.422 1.00 25.13 ATOM 1945 HB1 TYR 117 -0.119 -40.602 10.654 1.00 37.96 ATOM 1946 HB2 TYR 117 1.210 -39.679 11.345 1.00 51.31 ATOM 1947 CG TYR 117 -0.055 -40.593 12.770 1.00 42.55 ATOM 1948 CD1 TYR 117 -1.397 -40.950 12.878 1.00 51.13 ATOM 1949 HD1 TYR 117 -1.942 -41.226 11.986 1.00 15.04 ATOM 1950 CD2 TYR 117 0.626 -40.244 13.931 1.00 34.22 ATOM 1951 HD2 TYR 117 1.668 -39.965 13.866 1.00 35.44 ATOM 1952 CE1 TYR 117 -2.036 -40.956 14.100 1.00 72.20 ATOM 1953 HE1 TYR 117 -3.077 -41.235 14.162 1.00 1.30 ATOM 1954 CE2 TYR 117 -0.009 -40.247 15.158 1.00 54.00 ATOM 1955 HE2 TYR 117 0.536 -39.971 16.049 1.00 12.21 ATOM 1956 CZ TYR 117 -1.339 -40.605 15.236 1.00 44.12 ATOM 1957 OH TYR 117 -1.975 -40.614 16.452 1.00 2.30 ATOM 1958 HH TYR 117 -2.501 -41.414 16.529 1.00 44.00 ATOM 1959 C TYR 117 0.906 -43.096 11.667 1.00 52.42 ATOM 1960 O TYR 117 1.213 -43.591 12.756 1.00 63.14 ATOM 1961 N PRO 118 -0.035 -43.674 10.873 1.00 51.30 ATOM 1962 CA PRO 118 -0.634 -44.977 11.205 1.00 73.05 ATOM 1963 HA PRO 118 -1.340 -44.893 12.020 1.00 12.23 ATOM 1964 CB PRO 118 -1.371 -45.363 9.915 1.00 64.01 ATOM 1965 HB1 PRO 118 -2.253 -45.939 10.156 1.00 37.96 ATOM 1966 HB2 PRO 118 -0.717 -45.948 9.280 1.00 23.11 ATOM 1967 CG PRO 118 -1.725 -44.061 9.284 1.00 74.24 ATOM 1968 HG1 PRO 118 -2.656 -43.694 9.694 1.00 37.96 ATOM 1969 HG2 PRO 118 -1.811 -44.181 8.212 1.00 54.33 ATOM 1970 CD PRO 118 -0.599 -43.117 9.619 1.00 60.55 ATOM 1971 HD1 PRO 118 -0.977 -42.117 9.778 1.00 37.96 ATOM 1972 HD2 PRO 118 0.142 -43.118 8.831 1.00 63.02 ATOM 1973 C PRO 118 0.429 -46.029 11.555 1.00 3.12 ATOM 1974 O PRO 118 0.294 -46.774 12.530 1.00 20.44 ATOM 1975 N TYR 119 1.502 -46.052 10.766 1.00 3.22 ATOM 1976 HN TYR 119 1.575 -45.388 10.047 1.00 37.96 ATOM 1977 CA TYR 119 2.581 -47.027 10.941 1.00 52.24 ATOM 1978 HA TYR 119 2.128 -48.002 11.061 1.00 45.22 ATOM 1979 CB TYR 119 3.468 -47.038 9.686 1.00 41.13 ATOM 1980 HB1 TYR 119 4.120 -46.175 9.710 1.00 37.96 ATOM 1981 HB2 TYR 119 2.837 -46.973 8.810 1.00 64.53 ATOM 1982 CG TYR 119 4.339 -48.276 9.535 1.00 62.23 ATOM 1983 CD1 TYR 119 5.610 -48.338 10.097 1.00 43.23 ATOM 1984 HD1 TYR 119 5.978 -47.492 10.661 1.00 60.22 ATOM 1985 CD2 TYR 119 3.889 -49.380 8.815 1.00 70.42 ATOM 1986 HD2 TYR 119 2.905 -49.352 8.370 1.00 10.43 ATOM 1987 CE1 TYR 119 6.403 -49.461 9.946 1.00 5.43 ATOM 1988 HE1 TYR 119 7.387 -49.489 10.389 1.00 72.41 ATOM 1989 CE2 TYR 119 4.676 -50.506 8.664 1.00 13.33 ATOM 1990 HE2 TYR 119 4.306 -51.352 8.103 1.00 4.43 ATOM 1991 CZ TYR 119 5.931 -50.542 9.230 1.00 53.33 ATOM 1992 OH TYR 119 6.719 -51.664 9.075 1.00 74.21 ATOM 1993 HH TYR 119 6.744 -51.906 8.141 1.00 61.52 ATOM 1994 C TYR 119 3.421 -46.708 12.193 1.00 32.31 ATOM 1995 O TYR 119 3.773 -47.610 12.958 1.00 61.42 ATOM 1996 N GLU 120 3.729 -45.421 12.398 1.00 20.43 ATOM 1997 HN GLU 120 3.420 -44.750 11.753 1.00 37.96 ATOM 1998 CA GLU 120 4.526 -44.984 13.556 1.00 33.25 ATOM 1999 HA GLU 120 5.499 -45.450 13.484 1.00 44.30 ATOM 2000 CB GLU 120 4.706 -43.457 13.558 1.00 60.04 ATOM 2001 HB1 GLU 120 3.732 -42.988 13.575 1.00 37.96 ATOM 2002 HB2 GLU 120 5.219 -43.165 12.650 1.00 50.00 ATOM 2003 CG GLU 120 5.512 -42.942 14.756 1.00 54.12 ATOM 2004 HG1 GLU 120 6.547 -43.232 14.628 1.00 37.96 ATOM 2005 HG2 GLU 120 5.127 -43.402 15.654 1.00 21.14 ATOM 2006 CD GLU 120 5.451 -41.429 14.925 1.00 55.23 ATOM 2007 OE1 GLU 120 4.868 -40.958 15.925 1.00 54.34 ATOM 2008 OE2 GLU 120 5.990 -40.709 14.064 1.00 13.34 ATOM 2009 C GLU 120 3.871 -45.406 14.878 1.00 32.31 ATOM 2010 O GLU 120 4.468 -46.131 15.671 1.00 1.22 ATOM 2011 N CYS 121 2.632 -44.959 15.092 1.00 64.42 ATOM 2012 HN CYS 121 2.201 -44.410 14.400 1.00 37.96 ATOM 2013 CA CYS 121 1.899 -45.254 16.335 1.00 3.41 ATOM 2014 HA CYS 121 2.516 -44.930 17.163 1.00 44.41 ATOM 2015 CB CYS 121 0.573 -44.482 16.375 1.00 33.53 ATOM 2016 HB1 CYS 121 -0.063 -44.831 15.575 1.00 37.96 ATOM 2017 HB2 CYS 121 0.773 -43.430 16.234 1.00 1.13 ATOM 2018 SG CYS 121 -0.346 -44.659 17.925 1.00 2.33 ATOM 2019 HG CYS 121 0.149 -43.782 18.792 1.00 64.42 ATOM 2020 C CYS 121 1.632 -46.760 16.487 1.00 62.13 ATOM 2021 O CYS 121 1.529 -47.277 17.601 1.00 74.31 ATOM 2022 N GLU 122 1.511 -47.456 15.357 1.00 52.11 ATOM 2023 HN GLU 122 1.549 -46.980 14.499 1.00 37.96 ATOM 2024 CA GLU 122 1.319 -48.911 15.351 1.00 72.13 ATOM 2025 HA GLU 122 0.451 -49.135 15.957 1.00 3.10 ATOM 2026 CB GLU 122 1.058 -49.389 13.914 1.00 52.01 ATOM 2027 HB1 GLU 122 1.845 -49.009 13.278 1.00 37.96 ATOM 2028 HB2 GLU 122 0.116 -48.977 13.579 1.00 22.11 ATOM 2029 CG GLU 122 0.998 -50.907 13.741 1.00 34.23 ATOM 2030 HG1 GLU 122 1.946 -51.325 14.050 1.00 37.96 ATOM 2031 HG2 GLU 122 0.840 -51.127 12.695 1.00 52.12 ATOM 2032 CD GLU 122 -0.112 -51.576 14.540 1.00 34.45 ATOM 2033 OE1 GLU 122 -1.167 -50.948 14.760 1.00 13.21 ATOM 2034 OE2 GLU 122 0.060 -52.752 14.925 1.00 71.41 ATOM 2035 C GLU 122 2.536 -49.648 15.935 1.00 44.31 ATOM 2036 O GLU 122 2.408 -50.435 16.874 1.00 2.31 ATOM 2037 N LYS 123 3.715 -49.381 15.381 1.00 31.24 ATOM 2038 HN LYS 123 3.771 -48.680 14.692 1.00 37.96 ATOM 2039 CA LYS 123 4.934 -50.103 15.769 1.00 20.32 ATOM 2040 HA LYS 123 4.658 -51.128 15.976 1.00 52.31 ATOM 2041 CB LYS 123 5.940 -50.089 14.609 1.00 61.30 ATOM 2042 HB1 LYS 123 6.790 -50.702 14.876 1.00 37.96 ATOM 2043 HB2 LYS 123 6.278 -49.073 14.453 1.00 25.12 ATOM 2044 CG LYS 123 5.370 -50.608 13.290 1.00 14.44 ATOM 2045 HG1 LYS 123 6.137 -50.543 12.530 1.00 37.96 ATOM 2046 HG2 LYS 123 4.531 -49.988 13.005 1.00 1.03 ATOM 2047 CD LYS 123 4.896 -52.056 13.394 1.00 1.31 ATOM 2048 HD1 LYS 123 4.165 -52.132 14.189 1.00 37.96 ATOM 2049 HD2 LYS 123 5.743 -52.687 13.625 1.00 64.53 ATOM 2050 CE LYS 123 4.264 -52.538 12.092 1.00 63.43 ATOM 2051 HE1 LYS 123 4.981 -52.420 11.292 1.00 37.96 ATOM 2052 HE2 LYS 123 3.393 -51.934 11.883 1.00 10.23 ATOM 2053 NZ LYS 123 3.851 -53.965 12.165 1.00 23.32 ATOM 2054 HZ1 LYS 123 3.434 -54.267 11.260 1.00 20.15 ATOM 2055 HZ2 LYS 123 3.150 -54.098 12.917 1.00 74.43 ATOM 2056 HZ3 LYS 123 4.676 -54.567 12.370 1.00 4.40 ATOM 2057 C LYS 123 5.585 -49.506 17.030 1.00 2.31 ATOM 2058 O LYS 123 6.192 -50.224 17.828 1.00 15.53 ATOM 2059 N ARG 124 5.459 -48.193 17.202 1.00 53.13 ATOM 2060 HN ARG 124 4.912 -47.684 16.569 1.00 37.96 ATOM 2061 CA ARG 124 6.100 -47.481 18.317 1.00 41.20 ATOM 2062 HA ARG 124 6.442 -48.218 19.031 1.00 13.34 ATOM 2063 CB ARG 124 7.312 -46.687 17.805 1.00 32.11 ATOM 2064 HB1 ARG 124 7.648 -46.019 18.588 1.00 37.96 ATOM 2065 HB2 ARG 124 7.006 -46.095 16.953 1.00 54.33 ATOM 2066 CG ARG 124 8.493 -47.551 17.380 1.00 4.13 ATOM 2067 HG1 ARG 124 9.251 -46.918 16.940 1.00 37.96 ATOM 2068 HG2 ARG 124 8.157 -48.274 16.649 1.00 44.41 ATOM 2069 CD ARG 124 9.095 -48.291 18.569 1.00 72.21 ATOM 2070 HD1 ARG 124 8.323 -48.887 19.035 1.00 37.96 ATOM 2071 HD2 ARG 124 9.462 -47.564 19.280 1.00 51.51 ATOM 2072 NE ARG 124 10.196 -49.164 18.179 1.00 71.10 ATOM 2073 HE ARG 124 10.456 -49.174 17.235 1.00 11.31 ATOM 2074 CZ ARG 124 10.851 -49.925 19.012 1.00 41.43 ATOM 2075 NH1 ARG 124 10.534 -49.957 20.268 1.00 4.31 ATOM 2076 HH11 ARG 124 9.784 -49.397 20.608 1.00 53.02 ATOM 2077 HH12 ARG 124 11.039 -50.551 20.890 1.00 63.43 ATOM 2078 NH2 ARG 124 11.817 -50.667 18.589 1.00 75.54 ATOM 2079 HH21 ARG 124 12.063 -50.666 17.625 1.00 13.00 ATOM 2080 HH22 ARG 124 12.325 -51.234 19.236 1.00 21.04 ATOM 2081 C ARG 124 5.128 -46.528 19.026 1.00 21.31 ATOM 2082 O ARG 124 4.275 -45.906 18.398 1.00 50.32 ATOM 2083 N GLY 125 5.282 -46.401 20.339 1.00 54.21 ATOM 2084 HN GLY 125 5.968 -46.935 20.791 1.00 37.96 ATOM 2085 CA GLY 125 4.454 -45.482 21.113 1.00 41.11 ATOM 2086 HA1 GLY 125 4.319 -45.889 22.105 1.00 37.96 ATOM 2087 HA2 GLY 125 3.486 -45.394 20.638 1.00 73.23 ATOM 2088 C GLY 125 5.076 -44.094 21.229 1.00 63.05 ATOM 2089 O GLY 125 5.027 -43.465 22.287 1.00 24.40 ATOM 2090 N LEU 126 5.652 -43.612 20.129 1.00 43.25 ATOM 2091 HN LEU 126 5.608 -44.138 19.305 1.00 37.96 ATOM 2092 CA LEU 126 6.347 -42.320 20.110 1.00 5.43 ATOM 2093 HA LEU 126 7.063 -42.320 20.919 1.00 21.33 ATOM 2094 CB LEU 126 7.099 -42.156 18.784 1.00 51.43 ATOM 2095 HB1 LEU 126 7.606 -41.201 18.793 1.00 37.96 ATOM 2096 HB2 LEU 126 6.373 -42.150 17.982 1.00 35.54 ATOM 2097 CG LEU 126 8.138 -43.248 18.489 1.00 4.22 ATOM 2098 HG LEU 126 7.651 -44.213 18.522 1.00 75.33 ATOM 2099 CD1 LEU 126 8.725 -43.074 17.094 1.00 62.11 ATOM 2100 HD11 LEU 126 7.933 -43.127 16.360 1.00 72.41 ATOM 2101 HD12 LEU 126 9.440 -43.861 16.905 1.00 72.44 ATOM 2102 HD13 LEU 126 9.219 -42.115 17.025 1.00 14.31 ATOM 2103 CD2 LEU 126 9.243 -43.246 19.543 1.00 1.20 ATOM 2104 HD21 LEU 126 9.958 -44.024 19.315 1.00 14.40 ATOM 2105 HD22 LEU 126 8.812 -43.430 20.517 1.00 34.42 ATOM 2106 HD23 LEU 126 9.741 -42.288 19.544 1.00 40.13 ATOM 2107 C LEU 126 5.378 -41.148 20.311 1.00 4.30 ATOM 2108 O LEU 126 5.653 -40.223 21.080 1.00 45.10 ATOM 2109 N SER 127 4.248 -41.186 19.610 1.00 43.14 ATOM 2110 HN SER 127 4.099 -41.926 18.983 1.00 37.96 ATOM 2111 CA SER 127 3.218 -40.147 19.743 1.00 60.22 ATOM 2112 HA SER 127 3.400 -39.622 20.670 1.00 3.50 ATOM 2113 CB SER 127 3.299 -39.143 18.587 1.00 45.23 ATOM 2114 HB1 SER 127 2.535 -38.392 18.720 1.00 37.96 ATOM 2115 HB2 SER 127 3.131 -39.653 17.655 1.00 30.23 ATOM 2116 OG SER 127 4.565 -38.494 18.534 1.00 24.31 ATOM 2117 HG SER 127 5.185 -38.956 19.110 1.00 62.15 ATOM 2118 C SER 127 1.808 -40.750 19.796 1.00 1.13 ATOM 2119 O SER 127 1.595 -41.907 19.426 1.00 14.35 ATOM 2120 N ASN 128 0.845 -39.951 20.259 1.00 70.43 ATOM 2121 HN ASN 128 1.082 -39.037 20.532 1.00 37.96 ATOM 2122 CA ASN 128 -0.556 -40.389 20.371 1.00 21.44 ATOM 2123 HA ASN 128 -0.667 -41.314 19.821 1.00 54.34 ATOM 2124 CB ASN 128 -0.928 -40.629 21.844 1.00 33.12 ATOM 2125 HB1 ASN 128 -1.862 -41.172 21.889 1.00 37.96 ATOM 2126 HB2 ASN 128 -1.050 -39.676 22.341 1.00 33.54 ATOM 2127 CG ASN 128 0.126 -41.425 22.590 1.00 51.32 ATOM 2128 OD1 ASN 128 0.123 -42.649 22.587 1.00 32.32 ATOM 2129 ND2 ASN 128 1.033 -40.729 23.242 1.00 74.03 ATOM 2130 HD21 ASN 128 0.979 -39.756 23.210 1.00 1.44 ATOM 2131 HD22 ASN 128 1.723 -41.211 23.733 1.00 22.34 ATOM 2132 C ASN 128 -1.506 -39.335 19.773 1.00 61.32 ATOM 2133 O ASN 128 -1.183 -38.147 19.759 1.00 30.02 ATOM 2134 N PRO 129 -2.699 -39.741 19.291 1.00 71.23 ATOM 2135 CA PRO 129 -3.680 -38.795 18.720 1.00 62.43 ATOM 2136 HA PRO 129 -3.273 -38.284 17.857 1.00 31.32 ATOM 2137 CB PRO 129 -4.846 -39.700 18.281 1.00 41.52 ATOM 2138 HB1 PRO 129 -4.779 -39.885 17.219 1.00 37.96 ATOM 2139 HB2 PRO 129 -5.789 -39.221 18.505 1.00 31.21 ATOM 2140 CG PRO 129 -4.673 -40.963 19.062 1.00 71.34 ATOM 2141 HG1 PRO 129 -5.079 -41.798 18.508 1.00 37.96 ATOM 2142 HG2 PRO 129 -5.168 -40.874 20.020 1.00 54.11 ATOM 2143 CD PRO 129 -3.190 -41.132 19.252 1.00 3.31 ATOM 2144 HD1 PRO 129 -2.757 -41.672 18.421 1.00 37.96 ATOM 2145 HD2 PRO 129 -2.983 -41.642 20.183 1.00 60.15 ATOM 2146 C PRO 129 -4.148 -37.748 19.749 1.00 74.23 ATOM 2147 O PRO 129 -4.417 -36.594 19.405 1.00 53.03 ATOM 2148 N ASN 130 -4.225 -38.163 21.014 1.00 14.31 ATOM 2149 HN ASN 130 -4.027 -39.101 21.212 1.00 37.96 ATOM 2150 CA ASN 130 -4.612 -37.270 22.113 1.00 23.33 ATOM 2151 HA ASN 130 -5.612 -36.909 21.913 1.00 62.42 ATOM 2152 CB ASN 130 -4.617 -38.045 23.438 1.00 73.14 ATOM 2153 HB1 ASN 130 -4.999 -37.406 24.223 1.00 37.96 ATOM 2154 HB2 ASN 130 -3.605 -38.337 23.681 1.00 52.32 ATOM 2155 CG ASN 130 -5.476 -39.296 23.378 1.00 12.11 ATOM 2156 OD1 ASN 130 -6.462 -39.357 22.652 1.00 51.02 ATOM 2157 ND2 ASN 130 -5.106 -40.305 24.137 1.00 32.33 ATOM 2158 HD21 ASN 130 -4.307 -40.201 24.695 1.00 11.21 ATOM 2159 HD22 ASN 130 -5.645 -41.123 24.110 1.00 5.41 ATOM 2160 C ASN 130 -3.660 -36.064 22.216 1.00 15.02 ATOM 2161 O ASN 130 -4.076 -34.913 22.072 1.00 34.33 ATOM 2162 N GLU 131 -2.378 -36.346 22.449 1.00 74.22 ATOM 2163 HN GLU 131 -2.112 -37.282 22.561 1.00 37.96 ATOM 2164 CA GLU 131 -1.350 -35.303 22.553 1.00 0.34 ATOM 2165 HA GLU 131 -1.686 -34.584 23.289 1.00 14.24 ATOM 2166 CB GLU 131 -0.029 -35.922 23.034 1.00 53.35 ATOM 2167 HB1 GLU 131 -0.213 -36.456 23.958 1.00 37.96 ATOM 2168 HB2 GLU 131 0.680 -35.131 23.227 1.00 21.12 ATOM 2169 CG GLU 131 0.602 -36.897 22.047 1.00 5.04 ATOM 2170 HG1 GLU 131 0.940 -36.343 21.182 1.00 37.96 ATOM 2171 HG2 GLU 131 -0.140 -37.621 21.739 1.00 73.41 ATOM 2172 CD GLU 131 1.780 -37.639 22.640 1.00 73.31 ATOM 2173 OE1 GLU 131 2.796 -37.810 21.947 1.00 22.54 ATOM 2174 OE2 GLU 131 1.676 -38.076 23.805 1.00 51.52 ATOM 2175 C GLU 131 -1.150 -34.572 21.212 1.00 65.13 ATOM 2176 O GLU 131 -0.821 -33.383 21.181 1.00 62.03 ATOM 2177 N LEU 132 -1.338 -35.302 20.109 1.00 4.44 ATOM 2178 HN LEU 132 -1.551 -36.255 20.207 1.00 37.96 ATOM 2179 CA LEU 132 -1.227 -34.739 18.755 1.00 74.43 ATOM 2180 HA LEU 132 -0.189 -34.488 18.588 1.00 62.24 ATOM 2181 CB LEU 132 -1.656 -35.796 17.723 1.00 4.00 ATOM 2182 HB1 LEU 132 -2.690 -36.048 17.912 1.00 37.96 ATOM 2183 HB2 LEU 132 -1.057 -36.682 17.884 1.00 12.34 ATOM 2184 CG LEU 132 -1.523 -35.388 16.246 1.00 14.42 ATOM 2185 HG LEU 132 -2.098 -34.488 16.078 1.00 33.21 ATOM 2186 CD1 LEU 132 -0.069 -35.082 15.895 1.00 23.34 ATOM 2187 HD11 LEU 132 0.540 -35.958 16.076 1.00 74.14 ATOM 2188 HD12 LEU 132 0.286 -34.267 16.508 1.00 54.44 ATOM 2189 HD13 LEU 132 0.001 -34.803 14.854 1.00 62.44 ATOM 2190 CD2 LEU 132 -2.084 -36.480 15.333 1.00 10.34 ATOM 2191 HD21 LEU 132 -3.117 -36.668 15.589 1.00 10.53 ATOM 2192 HD22 LEU 132 -1.513 -37.389 15.459 1.00 1.34 ATOM 2193 HD23 LEU 132 -2.023 -36.156 14.303 1.00 64.11 ATOM 2194 C LEU 132 -2.076 -33.466 18.598 1.00 51.53 ATOM 2195 O LEU 132 -1.613 -32.463 18.051 1.00 64.41 ATOM 2196 N GLN 133 -3.313 -33.509 19.095 1.00 41.15 ATOM 2197 HN GLN 133 -3.634 -34.347 19.495 1.00 37.96 ATOM 2198 CA GLN 133 -4.213 -32.349 19.053 1.00 54.22 ATOM 2199 HA GLN 133 -4.423 -32.132 18.016 1.00 2.55 ATOM 2200 CB GLN 133 -5.532 -32.685 19.766 1.00 40.24 ATOM 2201 HB1 GLN 133 -5.313 -32.980 20.783 1.00 37.96 ATOM 2202 HB2 GLN 133 -6.001 -33.516 19.257 1.00 13.44 ATOM 2203 CG GLN 133 -6.529 -31.528 19.811 1.00 33.32 ATOM 2204 HG1 GLN 133 -6.069 -30.695 20.323 1.00 37.96 ATOM 2205 HG2 GLN 133 -7.404 -31.845 20.362 1.00 75.14 ATOM 2206 CD GLN 133 -6.971 -31.065 18.430 1.00 13.41 ATOM 2207 OE1 GLN 133 -7.951 -31.555 17.881 1.00 23.23 ATOM 2208 NE2 GLN 133 -6.252 -30.117 17.859 1.00 50.13 ATOM 2209 HE21 GLN 133 -5.479 -29.763 18.344 1.00 70.54 ATOM 2210 HE22 GLN 133 -6.526 -29.806 16.970 1.00 21.21 ATOM 2211 C GLN 133 -3.568 -31.107 19.697 1.00 63.44 ATOM 2212 O GLN 133 -3.645 -29.999 19.156 1.00 24.34 ATOM 2213 N ALA 134 -2.933 -31.301 20.850 1.00 32.15 ATOM 2214 HN ALA 134 -2.914 -32.202 21.237 1.00 37.96 ATOM 2215 CA ALA 134 -2.260 -30.206 21.559 1.00 25.35 ATOM 2216 HA ALA 134 -2.976 -29.405 21.690 1.00 74.43 ATOM 2217 CB ALA 134 -1.815 -30.672 22.939 1.00 34.42 ATOM 2218 HB1 ALA 134 -1.388 -29.840 23.480 1.00 43.22 ATOM 2219 HB2 ALA 134 -1.075 -31.452 22.835 1.00 31.42 ATOM 2220 HB3 ALA 134 -2.667 -31.056 23.482 1.00 40.10 ATOM 2221 C ALA 134 -1.057 -29.671 20.764 1.00 74.11 ATOM 2222 O ALA 134 -0.813 -28.462 20.715 1.00 54.24 ATOM 2223 N ALA 135 -0.307 -30.583 20.151 1.00 62.22 ATOM 2224 HN ALA 135 -0.540 -31.531 20.254 1.00 37.96 ATOM 2225 CA ALA 135 0.858 -30.224 19.331 1.00 51.20 ATOM 2226 HA ALA 135 1.561 -29.694 19.960 1.00 61.23 ATOM 2227 CB ALA 135 1.537 -31.493 18.823 1.00 50.23 ATOM 2228 HB1 ALA 135 2.426 -31.232 18.266 1.00 2.04 ATOM 2229 HB2 ALA 135 0.855 -32.036 18.178 1.00 53.30 ATOM 2230 HB3 ALA 135 1.809 -32.117 19.663 1.00 15.23 ATOM 2231 C ALA 135 0.468 -29.328 18.144 1.00 22.14 ATOM 2232 O ALA 135 1.016 -28.236 17.956 1.00 55.04 ATOM 2233 N ILE 136 -0.492 -29.801 17.357 1.00 73.45 ATOM 2234 HN ILE 136 -0.917 -30.654 17.594 1.00 37.96 ATOM 2235 CA ILE 136 -0.941 -29.100 16.150 1.00 12.32 ATOM 2236 HA ILE 136 -0.097 -29.020 15.478 1.00 44.10 ATOM 2237 CB ILE 136 -2.047 -29.911 15.441 1.00 34.20 ATOM 2238 HB ILE 136 -2.889 -29.991 16.116 1.00 43.32 ATOM 2239 CG1 ILE 136 -1.531 -31.322 15.116 1.00 12.11 ATOM 2240 HG11 ILE 136 -1.012 -31.716 15.979 1.00 37.96 ATOM 2241 HG12 ILE 136 -0.843 -31.267 14.285 1.00 0.32 ATOM 2242 CG2 ILE 136 -2.524 -29.197 14.174 1.00 15.55 ATOM 2243 HG21 ILE 136 -2.918 -28.224 14.434 1.00 2.33 ATOM 2244 HG22 ILE 136 -3.299 -29.780 13.698 1.00 22.42 ATOM 2245 HG23 ILE 136 -1.694 -29.077 13.491 1.00 64.14 ATOM 2246 CD1 ILE 136 -2.620 -32.301 14.746 1.00 3.43 ATOM 2247 HD11 ILE 136 -3.147 -31.947 13.873 1.00 71.25 ATOM 2248 HD12 ILE 136 -3.309 -32.397 15.573 1.00 31.31 ATOM 2249 HD13 ILE 136 -2.176 -33.263 14.537 1.00 45.52 ATOM 2250 C ILE 136 -1.463 -27.689 16.462 1.00 73.25 ATOM 2251 O ILE 136 -1.054 -26.714 15.826 1.00 72.54 ATOM 2252 N ASP 137 -2.360 -27.580 17.443 1.00 55.40 ATOM 2253 HN ASP 137 -2.639 -28.386 17.928 1.00 37.96 ATOM 2254 CA ASP 137 -2.937 -26.282 17.817 1.00 63.45 ATOM 2255 HA ASP 137 -3.446 -25.889 16.947 1.00 54.32 ATOM 2256 CB ASP 137 -3.959 -26.460 18.948 1.00 73.34 ATOM 2257 HB1 ASP 137 -3.442 -26.739 19.856 1.00 37.96 ATOM 2258 HB2 ASP 137 -4.653 -27.245 18.680 1.00 32.12 ATOM 2259 CG ASP 137 -4.747 -25.188 19.210 1.00 20.20 ATOM 2260 OD1 ASP 137 -5.718 -24.922 18.466 1.00 74.14 ATOM 2261 OD2 ASP 137 -4.394 -24.442 20.145 1.00 22.52 ATOM 2262 C ASP 137 -1.835 -25.286 18.230 1.00 13.41 ATOM 2263 O ASP 137 -1.902 -24.095 17.909 1.00 11.54 ATOM 2264 N SER 138 -0.807 -25.790 18.916 1.00 53.43 ATOM 2265 HN SER 138 -0.831 -26.736 19.177 1.00 37.96 ATOM 2266 CA SER 138 0.358 -24.971 19.290 1.00 11.42 ATOM 2267 HA SER 138 0.005 -24.164 19.917 1.00 40.21 ATOM 2268 CB SER 138 1.377 -25.805 20.080 1.00 10.00 ATOM 2269 HB1 SER 138 2.248 -25.200 20.290 1.00 37.96 ATOM 2270 HB2 SER 138 1.671 -26.663 19.494 1.00 32.43 ATOM 2271 OG SER 138 0.834 -26.262 21.313 1.00 50.30 ATOM 2272 HG SER 138 0.123 -26.890 21.138 1.00 34.50 ATOM 2273 C SER 138 1.031 -24.369 18.047 1.00 54.33 ATOM 2274 O SER 138 1.499 -23.232 18.070 1.00 60.15 ATOM 2275 N ASN 139 1.068 -25.141 16.958 1.00 3.41 ATOM 2276 HN ASN 139 0.718 -26.058 17.015 1.00 37.96 ATOM 2277 CA ASN 139 1.597 -24.653 15.673 1.00 74.20 ATOM 2278 HA ASN 139 2.538 -24.157 15.866 1.00 4.20 ATOM 2279 CB ASN 139 1.836 -25.819 14.703 1.00 51.13 ATOM 2280 HB1 ASN 139 1.992 -25.421 13.709 1.00 37.96 ATOM 2281 HB2 ASN 139 0.960 -26.451 14.691 1.00 71.15 ATOM 2282 CG ASN 139 3.034 -26.684 15.061 1.00 0.00 ATOM 2283 OD1 ASN 139 3.684 -27.243 14.183 1.00 52.44 ATOM 2284 ND2 ASN 139 3.333 -26.821 16.339 1.00 15.15 ATOM 2285 HD21 ASN 139 2.779 -26.365 16.999 1.00 52.10 ATOM 2286 HD22 ASN 139 4.100 -27.386 16.569 1.00 4.30 ATOM 2287 C ASN 139 0.634 -23.650 15.020 1.00 74.13 ATOM 2288 O ASN 139 1.061 -22.669 14.414 1.00 50.41 ATOM 2289 N ARG 140 -0.667 -23.911 15.146 1.00 21.43 ATOM 2290 HN ARG 140 -0.944 -24.704 15.655 1.00 37.96 ATOM 2291 CA ARG 140 -1.699 -23.050 14.550 1.00 70.20 ATOM 2292 HA ARG 140 -1.522 -23.012 13.483 1.00 4.53 ATOM 2293 CB ARG 140 -3.096 -23.637 14.798 1.00 63.31 ATOM 2294 HB1 ARG 140 -3.836 -22.966 14.381 1.00 37.96 ATOM 2295 HB2 ARG 140 -3.257 -23.710 15.865 1.00 0.10 ATOM 2296 CG ARG 140 -3.312 -25.018 14.192 1.00 33.31 ATOM 2297 HG1 ARG 140 -4.295 -25.369 14.473 1.00 37.96 ATOM 2298 HG2 ARG 140 -2.566 -25.692 14.585 1.00 22.22 ATOM 2299 CD ARG 140 -3.210 -25.004 12.671 1.00 44.41 ATOM 2300 HD1 ARG 140 -3.367 -26.010 12.307 1.00 37.96 ATOM 2301 HD2 ARG 140 -2.220 -24.675 12.393 1.00 24.32 ATOM 2302 NE ARG 140 -4.194 -24.112 12.052 1.00 54.10 ATOM 2303 HE ARG 140 -4.063 -23.150 12.159 1.00 22.35 ATOM 2304 CZ ARG 140 -5.207 -24.517 11.334 1.00 22.33 ATOM 2305 NH1 ARG 140 -5.483 -25.778 11.244 1.00 34.20 ATOM 2306 HH11 ARG 140 -4.924 -26.446 11.729 1.00 54.13 ATOM 2307 HH12 ARG 140 -6.257 -26.082 10.693 1.00 60.50 ATOM 2308 NH2 ARG 140 -5.970 -23.653 10.743 1.00 70.33 ATOM 2309 HH21 ARG 140 -5.784 -22.676 10.837 1.00 5.44 ATOM 2310 HH22 ARG 140 -6.737 -23.964 10.192 1.00 42.41 ATOM 2311 C ARG 140 -1.642 -21.620 15.107 1.00 71.20 ATOM 2312 O ARG 140 -2.020 -20.668 14.427 1.00 51.13 ATOM 2313 N ARG 141 -1.175 -21.478 16.347 1.00 52.10 ATOM 2314 HN ARG 141 -0.882 -22.276 16.841 1.00 37.96 ATOM 2315 CA ARG 141 -1.106 -20.167 17.004 1.00 62.11 ATOM 2316 HA ARG 141 -2.068 -19.688 16.873 1.00 3.55 ATOM 2317 CB ARG 141 -0.854 -20.346 18.507 1.00 10.32 ATOM 2318 HB1 ARG 141 0.134 -20.757 18.649 1.00 37.96 ATOM 2319 HB2 ARG 141 -1.583 -21.040 18.901 1.00 11.54 ATOM 2320 CG ARG 141 -0.953 -19.046 19.299 1.00 51.43 ATOM 2321 HG1 ARG 141 -1.947 -18.638 19.176 1.00 37.96 ATOM 2322 HG2 ARG 141 -0.229 -18.344 18.911 1.00 60.04 ATOM 2323 CD ARG 141 -0.686 -19.250 20.784 1.00 54.00 ATOM 2324 HD1 ARG 141 0.326 -19.608 20.913 1.00 37.96 ATOM 2325 HD2 ARG 141 -1.379 -19.987 21.166 1.00 20.54 ATOM 2326 NE ARG 141 -0.855 -18.006 21.531 1.00 12.43 ATOM 2327 HE ARG 141 -1.665 -17.484 21.360 1.00 32.34 ATOM 2328 CZ ARG 141 -0.003 -17.550 22.409 1.00 60.32 ATOM 2329 NH1 ARG 141 1.102 -18.185 22.654 1.00 22.24 ATOM 2330 HH11 ARG 141 1.313 -19.031 22.168 1.00 73.21 ATOM 2331 HH12 ARG 141 1.745 -17.824 23.331 1.00 11.33 ATOM 2332 NH2 ARG 141 -0.249 -16.442 23.025 1.00 10.21 ATOM 2333 HH21 ARG 141 -1.086 -15.935 22.825 1.00 40.33 ATOM 2334 HH22 ARG 141 0.398 -16.098 23.702 1.00 50.25 ATOM 2335 C ARG 141 -0.023 -19.250 16.390 1.00 25.30 ATOM 2336 O ARG 141 -0.020 -18.040 16.627 1.00 0.52 ATOM 2337 N GLU 142 0.890 -19.816 15.603 1.00 71.34 ATOM 2338 HN GLU 142 0.844 -20.781 15.430 1.00 37.96 ATOM 2339 CA GLU 142 1.959 -19.022 14.976 1.00 22.20 ATOM 2340 HA GLU 142 2.376 -18.382 15.742 1.00 33.32 ATOM 2341 CB GLU 142 3.077 -19.932 14.441 1.00 2.51 ATOM 2342 HB1 GLU 142 3.690 -19.364 13.754 1.00 37.96 ATOM 2343 HB2 GLU 142 2.627 -20.756 13.905 1.00 22.23 ATOM 2344 CG GLU 142 3.987 -20.509 15.520 1.00 54.23 ATOM 2345 HG1 GLU 142 3.405 -21.176 16.143 1.00 37.96 ATOM 2346 HG2 GLU 142 4.368 -19.698 16.126 1.00 54.04 ATOM 2347 CD GLU 142 5.166 -21.279 14.941 1.00 43.13 ATOM 2348 OE1 GLU 142 5.906 -20.712 14.103 1.00 54.33 ATOM 2349 OE2 GLU 142 5.374 -22.448 15.328 1.00 32.42 ATOM 2350 C GLU 142 1.429 -18.129 13.837 1.00 25.01 ATOM 2351 O GLU 142 0.947 -18.619 12.817 1.00 31.11 ATOM 2352 N GLY 143 1.538 -16.811 14.016 1.00 44.42 ATOM 2353 HN GLY 143 1.896 -16.471 14.864 1.00 37.96 ATOM 2354 CA GLY 143 1.125 -15.872 12.974 1.00 62.34 ATOM 2355 HA1 GLY 143 1.211 -16.358 12.011 1.00 37.96 ATOM 2356 HA2 GLY 143 1.791 -15.023 12.991 1.00 73.24 ATOM 2357 C GLY 143 -0.304 -15.370 13.144 1.00 64.45 ATOM 2358 O GLY 143 -1.029 -15.184 12.162 1.00 25.32 ATOM 2359 N ARG 144 -0.711 -15.142 14.391 1.00 45.44 ATOM 2360 HN ARG 144 -0.079 -15.280 15.128 1.00 37.96 ATOM 2361 CA ARG 144 -2.071 -14.680 14.699 1.00 64.12 ATOM 2362 HA ARG 144 -2.621 -14.606 13.771 1.00 34.12 ATOM 2363 CB ARG 144 -2.773 -15.695 15.615 1.00 61.52 ATOM 2364 HB1 ARG 144 -3.808 -15.403 15.729 1.00 37.96 ATOM 2365 HB2 ARG 144 -2.297 -15.679 16.585 1.00 72.45 ATOM 2366 CG ARG 144 -2.735 -17.126 15.088 1.00 43.51 ATOM 2367 HG1 ARG 144 -3.315 -17.758 15.747 1.00 37.96 ATOM 2368 HG2 ARG 144 -1.709 -17.466 15.077 1.00 12.20 ATOM 2369 CD ARG 144 -3.300 -17.233 13.676 1.00 54.35 ATOM 2370 HD1 ARG 144 -2.786 -16.524 13.040 1.00 37.96 ATOM 2371 HD2 ARG 144 -4.353 -16.993 13.703 1.00 10.24 ATOM 2372 NE ARG 144 -3.133 -18.573 13.128 1.00 10.50 ATOM 2373 HE ARG 144 -3.111 -19.318 13.759 1.00 34.23 ATOM 2374 CZ ARG 144 -2.994 -18.840 11.858 1.00 40.25 ATOM 2375 NH1 ARG 144 -3.024 -17.893 10.975 1.00 1.34 ATOM 2376 HH11 ARG 144 -3.155 -16.947 11.262 1.00 10.43 ATOM 2377 HH12 ARG 144 -2.917 -18.113 10.009 1.00 73.12 ATOM 2378 NH2 ARG 144 -2.828 -20.062 11.476 1.00 44.12 ATOM 2379 HH21 ARG 144 -2.807 -20.792 12.153 1.00 54.33 ATOM 2380 HH22 ARG 144 -2.722 -20.275 10.506 1.00 20.14 ATOM 2381 C ARG 144 -2.047 -13.298 15.366 1.00 31.34 ATOM 2382 O ARG 144 -0.995 -12.660 15.458 1.00 50.23 ATOM 2383 N ARG 145 -3.209 -12.835 15.827 1.00 53.40 ATOM 2384 HN ARG 145 -4.016 -13.381 15.727 1.00 37.96 ATOM 2385 HA ARG 145 -2.493 -10.919 16.121 1.00 13.24 ATOM 2386 CB ARG 145 -4.635 -10.826 16.150 1.00 72.45 ATOM 2387 HB1 ARG 145 -4.764 -10.842 15.076 1.00 37.96 ATOM 2388 HB2 ARG 145 -4.572 -9.797 16.475 1.00 42.20 ATOM 2389 CG ARG 145 -5.880 -11.444 16.787 1.00 3.13 ATOM 2390 HG1 ARG 145 -5.778 -11.402 17.864 1.00 37.96 ATOM 2391 HG2 ARG 145 -5.960 -12.476 16.475 1.00 63.30 ATOM 2392 CD ARG 145 -7.155 -10.708 16.384 1.00 14.15 ATOM 2393 HD1 ARG 145 -7.430 -11.007 15.381 1.00 37.96 ATOM 2394 HD2 ARG 145 -6.965 -9.644 16.402 1.00 25.54 ATOM 2395 NE ARG 145 -8.263 -11.004 17.292 1.00 23.44 ATOM 2396 HE ARG 145 -8.058 -11.046 18.247 1.00 33.24 ATOM 2397 CZ ARG 145 -9.502 -11.192 16.923 1.00 23.24 ATOM 2398 NH1 ARG 145 -9.841 -11.149 15.673 1.00 23.30 ATOM 2399 HH11 ARG 145 -9.156 -10.970 14.978 1.00 72.43 ATOM 2400 HH12 ARG 145 -10.794 -11.305 15.414 1.00 23.12 ATOM 2401 NH2 ARG 145 -10.408 -11.415 17.816 1.00 3.42 ATOM 2402 HH21 ARG 145 -10.158 -11.444 18.784 1.00 53.23 ATOM 2403 HH22 ARG 145 -11.357 -11.557 17.539 1.00 50.31 ATOM 2404 CA ARG 145 -3.305 -11.529 16.496 1.00 4.44 ATOM 2405 C ARG 145 -3.132 -11.667 18.027 1.00 55.35 ATOM 2406 OT1 ARG 145 -3.792 -12.537 18.641 1.00 37.96 ATOM 2407 OT2 ARG 145 -2.349 -10.887 18.615 1.00 37.96 ATOM 2408 OH2 TIP3 1 -2.105 -46.170 -12.992 1.00 0.00 WAT1 ATOM 2409 H1 TIP3 1 -2.579 -45.510 -12.435 1.00 0.00 WAT1 ATOM 2410 H2 TIP3 1 -1.862 -45.672 -13.794 1.00 0.00 WAT1 ATOM 2411 OH2 TIP3 2 -4.306 -55.374 -1.065 1.00 0.00 WAT1 ATOM 2412 H1 TIP3 2 -3.804 -55.715 -1.835 1.00 0.00 WAT1 ATOM 2413 H2 TIP3 2 -3.615 -54.974 -0.492 1.00 0.00 WAT1 ATOM 2414 OH2 TIP3 3 -6.043 -59.966 1.446 1.00 0.00 WAT1 ATOM 2415 H1 TIP3 3 -6.110 -60.542 0.679 1.00 0.00 WAT1 ATOM 2416 H2 TIP3 3 -5.583 -59.167 1.108 1.00 0.00 WAT1 ATOM 2417 OH2 TIP3 4 -4.928 -50.824 -4.076 1.00 0.00 WAT1 ATOM 2418 H1 TIP3 4 -4.698 -50.454 -4.950 1.00 0.00 WAT1 ATOM 2419 H2 TIP3 4 -5.461 -51.614 -4.283 1.00 0.00 WAT1 ATOM 2420 OH2 TIP3 5 -6.973 -52.744 -4.396 1.00 0.00 WAT1 ATOM 2421 H1 TIP3 5 -7.339 -52.697 -3.488 1.00 0.00 WAT1 ATOM 2422 H2 TIP3 5 -7.613 -53.295 -4.875 1.00 0.00 WAT1 ATOM 2423 OH2 TIP3 6 -0.390 -57.448 1.701 1.00 0.00 WAT1 ATOM 2424 H1 TIP3 6 -0.070 -57.477 0.778 1.00 0.00 WAT1 ATOM 2425 H2 TIP3 6 -0.328 -56.499 1.939 1.00 0.00 WAT1 ATOM 2426 OH2 TIP3 7 -7.615 -57.452 -0.186 1.00 0.00 WAT1 ATOM 2427 H1 TIP3 7 -8.565 -57.585 -0.175 1.00 0.00 WAT1 ATOM 2428 H2 TIP3 7 -7.506 -56.518 -0.474 1.00 0.00 WAT1 ATOM 2429 OH2 TIP3 8 -9.539 -51.397 0.205 1.00 0.00 WAT1 ATOM 2430 H1 TIP3 8 -9.885 -50.886 -0.557 1.00 0.00 WAT1 ATOM 2431 H2 TIP3 8 -10.149 -51.163 0.940 1.00 0.00 WAT1 ATOM 2432 OH2 TIP3 9 -7.985 -50.254 -5.048 1.00 0.00 WAT1 ATOM 2433 H1 TIP3 9 -7.576 -51.140 -5.111 1.00 0.00 WAT1 ATOM 2434 H2 TIP3 9 -8.042 -49.946 -5.979 1.00 0.00 WAT1 ATOM 2435 OH2 TIP3 10 -12.826 -53.311 4.519 1.00 0.00 WAT1 ATOM 2436 H1 TIP3 10 -11.933 -52.915 4.597 1.00 0.00 WAT1 ATOM 2437 H2 TIP3 10 -12.658 -54.250 4.406 1.00 0.00 WAT1 ATOM 2438 OH2 TIP3 11 -8.613 -52.526 2.606 1.00 0.00 WAT1 ATOM 2439 H1 TIP3 11 -8.800 -52.090 1.752 1.00 0.00 WAT1 ATOM 2440 H2 TIP3 11 -7.978 -53.236 2.377 1.00 0.00 WAT1 ATOM 2441 OH2 TIP3 12 -10.528 -47.804 -5.763 1.00 0.00 WAT1 ATOM 2442 H1 TIP3 12 -10.935 -47.145 -6.353 1.00 0.00 WAT1 ATOM 2443 H2 TIP3 12 -9.681 -47.388 -5.493 1.00 0.00 WAT1 ATOM 2444 OH2 TIP3 13 -8.726 -49.098 -7.420 1.00 0.00 WAT1 ATOM 2445 H1 TIP3 13 -9.483 -48.801 -6.879 1.00 0.00 WAT1 ATOM 2446 H2 TIP3 13 -8.819 -48.599 -8.253 1.00 0.00 WAT1 ATOM 2447 OH2 TIP3 14 -7.752 -58.914 3.349 1.00 0.00 WAT1 ATOM 2448 H1 TIP3 14 -7.226 -59.378 2.666 1.00 0.00 WAT1 ATOM 2449 H2 TIP3 14 -8.015 -58.088 2.927 1.00 0.00 WAT1 ATOM 2450 OH2 TIP3 15 -4.937 -57.726 0.268 1.00 0.00 WAT1 ATOM 2451 H1 TIP3 15 -4.574 -56.937 -0.186 1.00 0.00 WAT1 ATOM 2452 H2 TIP3 15 -5.907 -57.666 0.106 1.00 0.00 WAT1 ATOM 2453 OH2 TIP3 16 -6.929 -54.595 2.007 1.00 0.00 WAT1 ATOM 2454 H1 TIP3 16 -7.367 -55.133 2.711 1.00 0.00 WAT1 ATOM 2455 H2 TIP3 16 -5.991 -54.564 2.283 1.00 0.00 WAT1 ATOM 2456 OH2 TIP3 17 -4.279 -54.324 2.777 1.00 0.00 WAT1 ATOM 2457 H1 TIP3 17 -4.110 -53.895 1.906 1.00 0.00 WAT1 ATOM 2458 H2 TIP3 17 -4.001 -53.658 3.428 1.00 0.00 WAT1 ATOM 2459 OH2 TIP3 18 -8.435 -52.906 -1.959 1.00 0.00 WAT1 ATOM 2460 H1 TIP3 18 -8.777 -52.403 -1.194 1.00 0.00 WAT1 ATOM 2461 H2 TIP3 18 -7.966 -53.669 -1.551 1.00 0.00 WAT1 ATOM 2462 OH2 TIP3 19 -7.001 -54.859 -0.707 1.00 0.00 WAT1 ATOM 2463 H1 TIP3 19 -7.012 -54.638 0.253 1.00 0.00 WAT1 ATOM 2464 H2 TIP3 19 -6.045 -54.969 -0.915 1.00 0.00 WAT1 ATOM 2465 OH2 TIP3 20 -0.841 -48.677 -13.176 1.00 0.00 WAT1 ATOM 2466 H1 TIP3 20 0.075 -48.531 -13.480 1.00 0.00 WAT1 ATOM 2467 H2 TIP3 20 -1.223 -47.777 -13.125 1.00 0.00 WAT1 ATOM 2468 OH2 TIP3 21 -14.140 -52.551 8.343 1.00 0.00 WAT1 ATOM 2469 H1 TIP3 21 -14.922 -52.889 8.790 1.00 0.00 WAT1 ATOM 2470 H2 TIP3 21 -13.493 -53.300 8.390 1.00 0.00 WAT1 ATOM 2471 OH2 TIP3 22 -10.341 -52.200 4.671 1.00 0.00 WAT1 ATOM 2472 H1 TIP3 22 -9.938 -51.562 5.290 1.00 0.00 WAT1 ATOM 2473 H2 TIP3 22 -9.672 -52.290 3.944 1.00 0.00 WAT1 ATOM 2474 OH2 TIP3 23 -4.378 -56.888 3.849 1.00 0.00 WAT1 ATOM 2475 H1 TIP3 23 -3.804 -57.471 3.311 1.00 0.00 WAT1 ATOM 2476 H2 TIP3 23 -4.341 -56.025 3.391 1.00 0.00 WAT1 ATOM 2477 OH2 TIP3 24 -7.960 -55.909 4.107 1.00 0.00 WAT1 ATOM 2478 H1 TIP3 24 -8.461 -55.423 4.800 1.00 0.00 WAT1 ATOM 2479 H2 TIP3 24 -7.418 -56.548 4.611 1.00 0.00 WAT1 ATOM 2480 OH2 TIP3 25 -4.295 -60.346 3.536 1.00 0.00 WAT1 ATOM 2481 H1 TIP3 25 -3.664 -59.721 3.129 1.00 0.00 WAT1 ATOM 2482 H2 TIP3 25 -5.057 -60.345 2.926 1.00 0.00 WAT1 ATOM 2483 OH2 TIP3 26 -2.653 -58.898 6.492 1.00 0.00 WAT1 ATOM 2484 H1 TIP3 26 -3.386 -59.540 6.416 1.00 0.00 WAT1 ATOM 2485 H2 TIP3 26 -1.877 -59.390 6.197 1.00 0.00 WAT1 ATOM 2486 OH2 TIP3 27 -1.815 -55.133 0.197 1.00 0.00 WAT1 ATOM 2487 H1 TIP3 27 -1.186 -55.671 -0.325 1.00 0.00 WAT1 ATOM 2488 H2 TIP3 27 -1.285 -54.823 0.954 1.00 0.00 WAT1 ATOM 2489 OH2 TIP3 28 -1.579 -61.983 6.062 1.00 0.00 WAT1 ATOM 2490 H1 TIP3 28 -0.768 -61.436 5.962 1.00 0.00 WAT1 ATOM 2491 H2 TIP3 28 -1.250 -62.883 6.105 1.00 0.00 WAT1 ATOM 2492 OH2 TIP3 29 -2.918 -58.396 2.127 1.00 0.00 WAT1 ATOM 2493 H1 TIP3 29 -3.463 -58.159 1.349 1.00 0.00 WAT1 ATOM 2494 H2 TIP3 29 -2.008 -58.129 1.875 1.00 0.00 WAT1 ATOM 2495 OH2 TIP3 30 -4.185 -49.522 -6.499 1.00 0.00 WAT1 ATOM 2496 H1 TIP3 30 -3.617 -48.842 -6.121 1.00 0.00 WAT1 ATOM 2497 H2 TIP3 30 -4.933 -49.011 -6.898 1.00 0.00 WAT1 ATOM 2498 OH2 TIP3 31 -9.824 -53.073 -4.370 1.00 0.00 WAT1 ATOM 2499 H1 TIP3 31 -9.487 -53.049 -3.454 1.00 0.00 WAT1 ATOM 2500 H2 TIP3 31 -10.389 -52.289 -4.436 1.00 0.00 WAT1 ATOM 2501 OH2 TIP3 32 -2.797 -51.131 -8.323 1.00 0.00 WAT1 ATOM 2502 H1 TIP3 32 -3.494 -51.683 -8.693 1.00 0.00 WAT1 ATOM 2503 H2 TIP3 32 -3.235 -50.659 -7.580 1.00 0.00 WAT1 ATOM 2504 OH2 TIP3 33 -3.979 -56.071 17.022 1.00 0.00 WAT1 ATOM 2505 H1 TIP3 33 -3.506 -56.232 16.180 1.00 0.00 WAT1 ATOM 2506 H2 TIP3 33 -3.344 -55.546 17.558 1.00 0.00 WAT1 ATOM 2507 OH2 TIP3 34 -5.299 -50.366 11.722 1.00 0.00 WAT1 ATOM 2508 H1 TIP3 34 -5.938 -50.704 11.054 1.00 0.00 WAT1 ATOM 2509 H2 TIP3 34 -5.676 -50.654 12.572 1.00 0.00 WAT1 ATOM 2510 OH2 TIP3 35 -9.310 -53.842 11.481 1.00 0.00 WAT1 ATOM 2511 H1 TIP3 35 -8.361 -54.057 11.589 1.00 0.00 WAT1 ATOM 2512 H2 TIP3 35 -9.402 -52.954 11.901 1.00 0.00 WAT1 ATOM 2513 OH2 TIP3 36 -1.993 -49.023 16.488 1.00 0.00 WAT1 ATOM 2514 H1 TIP3 36 -1.677 -49.711 15.855 1.00 0.00 WAT1 ATOM 2515 H2 TIP3 36 -2.916 -48.864 16.224 1.00 0.00 WAT1 ATOM 2516 OH2 TIP3 37 -6.578 -53.527 11.764 1.00 0.00 WAT1 ATOM 2517 H1 TIP3 37 -6.650 -52.972 12.569 1.00 0.00 WAT1 ATOM 2518 H2 TIP3 37 -5.667 -53.878 11.799 1.00 0.00 WAT1 ATOM 2519 OH2 TIP3 38 -4.985 -52.766 15.673 1.00 0.00 WAT1 ATOM 2520 H1 TIP3 38 -4.132 -53.140 15.348 1.00 0.00 WAT1 ATOM 2521 H2 TIP3 38 -5.162 -53.259 16.485 1.00 0.00 WAT1 ATOM 2522 OH2 TIP3 39 -2.434 -58.072 20.651 1.00 0.00 WAT1 ATOM 2523 H1 TIP3 39 -2.661 -58.880 21.118 1.00 0.00 WAT1 ATOM 2524 H2 TIP3 39 -3.200 -57.921 20.046 1.00 0.00 WAT1 ATOM 2525 OH2 TIP3 40 -5.534 -60.638 8.369 1.00 0.00 WAT1 ATOM 2526 H1 TIP3 40 -5.000 -60.825 7.565 1.00 0.00 WAT1 ATOM 2527 H2 TIP3 40 -6.308 -61.194 8.269 1.00 0.00 WAT1 ATOM 2528 OH2 TIP3 41 -6.398 -49.239 14.710 1.00 0.00 WAT1 ATOM 2529 H1 TIP3 41 -6.680 -48.306 14.610 1.00 0.00 WAT1 ATOM 2530 H2 TIP3 41 -5.473 -49.178 14.999 1.00 0.00 WAT1 ATOM 2531 OH2 TIP3 42 -5.309 -57.996 9.068 1.00 0.00 WAT1 ATOM 2532 H1 TIP3 42 -5.343 -58.970 8.927 1.00 0.00 WAT1 ATOM 2533 H2 TIP3 42 -6.206 -57.687 8.813 1.00 0.00 WAT1 ATOM 2534 OH2 TIP3 43 -7.242 -51.422 10.121 1.00 0.00 WAT1 ATOM 2535 H1 TIP3 43 -7.118 -52.293 10.549 1.00 0.00 WAT1 ATOM 2536 H2 TIP3 43 -8.201 -51.383 9.931 1.00 0.00 WAT1 ATOM 2537 OH2 TIP3 44 -1.130 -53.998 22.188 1.00 0.00 WAT1 ATOM 2538 H1 TIP3 44 -1.456 -53.373 21.494 1.00 0.00 WAT1 ATOM 2539 H2 TIP3 44 -1.412 -53.597 23.015 1.00 0.00 WAT1 ATOM 2540 OH2 TIP3 45 -6.442 -57.762 5.455 1.00 0.00 WAT1 ATOM 2541 H1 TIP3 45 -6.893 -58.437 4.901 1.00 0.00 WAT1 ATOM 2542 H2 TIP3 45 -5.594 -57.595 4.983 1.00 0.00 WAT1 ATOM 2543 OH2 TIP3 46 -7.558 -57.040 7.861 1.00 0.00 WAT1 ATOM 2544 H1 TIP3 46 -8.215 -56.386 7.603 1.00 0.00 WAT1 ATOM 2545 H2 TIP3 46 -7.202 -57.375 7.008 1.00 0.00 WAT1 ATOM 2546 OH2 TIP3 47 -4.563 -57.849 18.991 1.00 0.00 WAT1 ATOM 2547 H1 TIP3 47 -5.444 -58.173 18.793 1.00 0.00 WAT1 ATOM 2548 H2 TIP3 47 -4.369 -57.216 18.261 1.00 0.00 WAT1 ATOM 2549 OH2 TIP3 48 -9.710 -54.068 8.744 1.00 0.00 WAT1 ATOM 2550 H1 TIP3 48 -9.800 -53.095 8.853 1.00 0.00 WAT1 ATOM 2551 H2 TIP3 48 -9.523 -54.386 9.649 1.00 0.00 WAT1 ATOM 2552 OH2 TIP3 49 0.647 -60.476 5.678 1.00 0.00 WAT1 ATOM 2553 H1 TIP3 49 1.400 -60.891 5.191 1.00 0.00 WAT1 ATOM 2554 H2 TIP3 49 0.440 -59.669 5.158 1.00 0.00 WAT1 ATOM 2555 OH2 TIP3 50 -9.264 -51.467 12.814 1.00 0.00 WAT1 ATOM 2556 H1 TIP3 50 -8.419 -51.640 13.270 1.00 0.00 WAT1 ATOM 2557 H2 TIP3 50 -9.436 -50.519 12.989 1.00 0.00 WAT1 ATOM 2558 OH2 TIP3 51 -1.338 -49.885 18.993 1.00 0.00 WAT1 ATOM 2559 H1 TIP3 51 -1.626 -49.701 18.069 1.00 0.00 WAT1 ATOM 2560 H2 TIP3 51 -1.029 -49.013 19.319 1.00 0.00 WAT1 ATOM 2561 OH2 TIP3 52 -2.645 -55.331 10.227 1.00 0.00 WAT1 ATOM 2562 H1 TIP3 52 -3.139 -54.753 10.839 1.00 0.00 WAT1 ATOM 2563 H2 TIP3 52 -2.136 -55.925 10.821 1.00 0.00 WAT1 ATOM 2564 OH2 TIP3 53 -12.444 -54.572 8.805 1.00 0.00 WAT1 ATOM 2565 H1 TIP3 53 -11.499 -54.566 8.565 1.00 0.00 WAT1 ATOM 2566 H2 TIP3 53 -12.439 -54.607 9.786 1.00 0.00 WAT1 ATOM 2567 OH2 TIP3 54 -12.035 -54.146 11.454 1.00 0.00 WAT1 ATOM 2568 H1 TIP3 54 -12.221 -53.298 11.864 1.00 0.00 WAT1 ATOM 2569 H2 TIP3 54 -11.061 -54.235 11.522 1.00 0.00 WAT1 ATOM 2570 OH2 TIP3 55 -9.923 -51.364 9.074 1.00 0.00 WAT1 ATOM 2571 H1 TIP3 55 -9.662 -51.089 8.171 1.00 0.00 WAT1 ATOM 2572 H2 TIP3 55 -10.834 -51.009 9.175 1.00 0.00 WAT1 ATOM 2573 OH2 TIP3 56 -9.195 -54.526 6.089 1.00 0.00 WAT1 ATOM 2574 H1 TIP3 56 -9.694 -53.814 5.656 1.00 0.00 WAT1 ATOM 2575 H2 TIP3 56 -9.357 -54.384 7.047 1.00 0.00 WAT1 ATOM 2576 OH2 TIP3 57 -12.443 -50.337 8.671 1.00 0.00 WAT1 ATOM 2577 H1 TIP3 57 -12.893 -49.644 8.152 1.00 0.00 WAT1 ATOM 2578 H2 TIP3 57 -13.029 -51.116 8.585 1.00 0.00 WAT1 ATOM 2579 OH2 TIP3 58 0.012 -53.711 17.394 1.00 0.00 WAT1 ATOM 2580 H1 TIP3 58 -0.031 -53.303 16.493 1.00 0.00 WAT1 ATOM 2581 H2 TIP3 58 0.321 -52.979 17.974 1.00 0.00 WAT1 ATOM 2582 OH2 TIP3 59 -3.822 -53.599 12.226 1.00 0.00 WAT1 ATOM 2583 H1 TIP3 59 -3.451 -53.670 13.132 1.00 0.00 WAT1 ATOM 2584 H2 TIP3 59 -3.877 -52.645 12.068 1.00 0.00 WAT1 ATOM 2585 OH2 TIP3 60 -2.417 -56.323 14.700 1.00 0.00 WAT1 ATOM 2586 H1 TIP3 60 -2.468 -56.645 13.783 1.00 0.00 WAT1 ATOM 2587 H2 TIP3 60 -1.514 -56.590 14.995 1.00 0.00 WAT1 ATOM 2588 OH2 TIP3 61 -2.148 -54.754 18.553 1.00 0.00 WAT1 ATOM 2589 H1 TIP3 61 -1.736 -55.318 19.231 1.00 0.00 WAT1 ATOM 2590 H2 TIP3 61 -1.383 -54.385 18.055 1.00 0.00 WAT1 ATOM 2591 OH2 TIP3 62 -2.079 -52.370 20.229 1.00 0.00 WAT1 ATOM 2592 H1 TIP3 62 -2.340 -52.950 19.493 1.00 0.00 WAT1 ATOM 2593 H2 TIP3 62 -1.872 -51.515 19.801 1.00 0.00 WAT1 ATOM 2594 OH2 TIP3 63 -0.697 -56.630 6.805 1.00 0.00 WAT1 ATOM 2595 H1 TIP3 63 0.205 -56.739 7.163 1.00 0.00 WAT1 ATOM 2596 H2 TIP3 63 -0.695 -57.171 5.992 1.00 0.00 WAT1 ATOM 2597 OH2 TIP3 64 -4.200 -61.176 6.089 1.00 0.00 WAT1 ATOM 2598 H1 TIP3 64 -4.341 -60.937 5.140 1.00 0.00 WAT1 ATOM 2599 H2 TIP3 64 -3.311 -61.594 6.099 1.00 0.00 WAT1 ATOM 2600 OH2 TIP3 65 -4.304 -47.293 16.456 1.00 0.00 WAT1 ATOM 2601 H1 TIP3 65 -5.137 -46.789 16.499 1.00 0.00 WAT1 ATOM 2602 H2 TIP3 65 -3.908 -47.170 17.343 1.00 0.00 WAT1 ATOM 2603 OH2 TIP3 66 -2.001 -46.662 14.292 1.00 0.00 WAT1 ATOM 2604 H1 TIP3 66 -2.004 -46.949 15.222 1.00 0.00 WAT1 ATOM 2605 H2 TIP3 66 -1.114 -46.899 13.971 1.00 0.00 WAT1 ATOM 2606 OH2 TIP3 67 -0.589 -47.225 19.309 1.00 0.00 WAT1 ATOM 2607 H1 TIP3 67 -0.969 -46.387 19.001 1.00 0.00 WAT1 ATOM 2608 H2 TIP3 67 0.238 -47.311 18.796 1.00 0.00 WAT1 ATOM 2609 OH2 TIP3 68 -4.129 -41.524 -22.653 1.00 0.00 WAT1 ATOM 2610 H1 TIP3 68 -4.671 -41.518 -21.847 1.00 0.00 WAT1 ATOM 2611 H2 TIP3 68 -3.368 -42.081 -22.423 1.00 0.00 WAT1 ATOM 2612 OH2 TIP3 69 -0.045 -43.877 -18.295 1.00 0.00 WAT1 ATOM 2613 H1 TIP3 69 -0.968 -44.021 -18.600 1.00 0.00 WAT1 ATOM 2614 H2 TIP3 69 0.508 -44.255 -19.016 1.00 0.00 WAT1 ATOM 2615 OH2 TIP3 70 -8.065 -40.989 -19.148 1.00 0.00 WAT1 ATOM 2616 H1 TIP3 70 -8.556 -41.814 -18.963 1.00 0.00 WAT1 ATOM 2617 H2 TIP3 70 -7.990 -40.556 -18.270 1.00 0.00 WAT1 ATOM 2618 OH2 TIP3 71 -2.368 -42.175 -16.625 1.00 0.00 WAT1 ATOM 2619 H1 TIP3 71 -2.823 -41.704 -15.889 1.00 0.00 WAT1 ATOM 2620 H2 TIP3 71 -2.638 -41.688 -17.423 1.00 0.00 WAT1 ATOM 2621 OH2 TIP3 72 -7.938 -38.538 -20.426 1.00 0.00 WAT1 ATOM 2622 H1 TIP3 72 -8.089 -39.433 -20.062 1.00 0.00 WAT1 ATOM 2623 H2 TIP3 72 -7.042 -38.572 -20.772 1.00 0.00 WAT1 ATOM 2624 OH2 TIP3 73 -4.607 -45.299 -16.809 1.00 0.00 WAT1 ATOM 2625 H1 TIP3 73 -3.709 -45.500 -17.118 1.00 0.00 WAT1 ATOM 2626 H2 TIP3 73 -4.507 -45.180 -15.841 1.00 0.00 WAT1 ATOM 2627 OH2 TIP3 74 -2.581 -38.521 -15.158 1.00 0.00 WAT1 ATOM 2628 H1 TIP3 74 -2.911 -39.423 -14.930 1.00 0.00 WAT1 ATOM 2629 H2 TIP3 74 -2.399 -38.105 -14.279 1.00 0.00 WAT1 ATOM 2630 OH2 TIP3 75 -6.104 -41.881 -15.375 1.00 0.00 WAT1 ATOM 2631 H1 TIP3 75 -5.885 -42.222 -16.272 1.00 0.00 WAT1 ATOM 2632 H2 TIP3 75 -5.255 -41.473 -15.062 1.00 0.00 WAT1 ATOM 2633 OH2 TIP3 76 -9.965 -42.812 -11.464 1.00 0.00 WAT1 ATOM 2634 H1 TIP3 76 -10.572 -42.395 -12.104 1.00 0.00 WAT1 ATOM 2635 H2 TIP3 76 -9.122 -42.864 -11.944 1.00 0.00 WAT1 ATOM 2636 OH2 TIP3 77 -9.161 -43.379 -18.153 1.00 0.00 WAT1 ATOM 2637 H1 TIP3 77 -9.613 -44.032 -18.699 1.00 0.00 WAT1 ATOM 2638 H2 TIP3 77 -8.644 -43.918 -17.512 1.00 0.00 WAT1 ATOM 2639 OH2 TIP3 78 -5.474 -33.907 -13.344 1.00 0.00 WAT1 ATOM 2640 H1 TIP3 78 -5.391 -34.869 -13.160 1.00 0.00 WAT1 ATOM 2641 H2 TIP3 78 -5.112 -33.809 -14.240 1.00 0.00 WAT1 ATOM 2642 OH2 TIP3 79 -4.109 -39.079 -17.342 1.00 0.00 WAT1 ATOM 2643 H1 TIP3 79 -3.478 -38.869 -16.626 1.00 0.00 WAT1 ATOM 2644 H2 TIP3 79 -4.942 -38.660 -17.049 1.00 0.00 WAT1 ATOM 2645 OH2 TIP3 80 -11.283 -37.349 -16.922 1.00 0.00 WAT1 ATOM 2646 H1 TIP3 80 -12.116 -36.959 -17.201 1.00 0.00 WAT1 ATOM 2647 H2 TIP3 80 -10.682 -37.206 -17.696 1.00 0.00 WAT1 ATOM 2648 OH2 TIP3 81 -11.294 -42.238 -16.565 1.00 0.00 WAT1 ATOM 2649 H1 TIP3 81 -10.624 -42.494 -17.218 1.00 0.00 WAT1 ATOM 2650 H2 TIP3 81 -11.101 -41.292 -16.380 1.00 0.00 WAT1 ATOM 2651 OH2 TIP3 82 -8.084 -35.236 -17.504 1.00 0.00 WAT1 ATOM 2652 H1 TIP3 82 -7.350 -34.602 -17.360 1.00 0.00 WAT1 ATOM 2653 H2 TIP3 82 -8.182 -35.685 -16.644 1.00 0.00 WAT1 ATOM 2654 OH2 TIP3 83 -5.534 -41.605 -20.155 1.00 0.00 WAT1 ATOM 2655 H1 TIP3 83 -6.444 -41.255 -20.123 1.00 0.00 WAT1 ATOM 2656 H2 TIP3 83 -5.453 -42.122 -19.323 1.00 0.00 WAT1 ATOM 2657 OH2 TIP3 84 -9.646 -36.913 -19.008 1.00 0.00 WAT1 ATOM 2658 H1 TIP3 84 -9.054 -36.223 -18.636 1.00 0.00 WAT1 ATOM 2659 H2 TIP3 84 -9.068 -37.420 -19.620 1.00 0.00 WAT1 ATOM 2660 OH2 TIP3 85 -5.900 -33.733 -16.704 1.00 0.00 WAT1 ATOM 2661 H1 TIP3 85 -5.271 -34.378 -16.320 1.00 0.00 WAT1 ATOM 2662 H2 TIP3 85 -5.330 -33.034 -17.063 1.00 0.00 WAT1 ATOM 2663 OH2 TIP3 86 -7.415 -44.864 -16.606 1.00 0.00 WAT1 ATOM 2664 H1 TIP3 86 -7.605 -45.063 -15.660 1.00 0.00 WAT1 ATOM 2665 H2 TIP3 86 -6.526 -45.245 -16.752 1.00 0.00 WAT1 ATOM 2666 OH2 TIP3 87 -14.979 -46.408 -14.319 1.00 0.00 WAT1 ATOM 2667 H1 TIP3 87 -15.798 -46.008 -14.613 1.00 0.00 WAT1 ATOM 2668 H2 TIP3 87 -14.313 -45.737 -14.482 1.00 0.00 WAT1 ATOM 2669 OH2 TIP3 88 -4.453 -44.306 -14.210 1.00 0.00 WAT1 ATOM 2670 H1 TIP3 88 -5.111 -43.600 -14.284 1.00 0.00 WAT1 ATOM 2671 H2 TIP3 88 -4.225 -44.321 -13.242 1.00 0.00 WAT1 ATOM 2672 OH2 TIP3 89 -5.663 -42.943 -17.777 1.00 0.00 WAT1 ATOM 2673 H1 TIP3 89 -5.047 -43.667 -17.531 1.00 0.00 WAT1 ATOM 2674 H2 TIP3 89 -6.546 -43.335 -17.660 1.00 0.00 WAT1 ATOM 2675 OH2 TIP3 90 -3.453 -32.350 -17.141 1.00 0.00 WAT1 ATOM 2676 H1 TIP3 90 -2.807 -32.130 -17.845 1.00 0.00 WAT1 ATOM 2677 H2 TIP3 90 -3.081 -33.142 -16.718 1.00 0.00 WAT1 ATOM 2678 OH2 TIP3 91 -6.228 -37.953 -15.886 1.00 0.00 WAT1 ATOM 2679 H1 TIP3 91 -6.001 -38.312 -14.999 1.00 0.00 WAT1 ATOM 2680 H2 TIP3 91 -6.922 -37.284 -15.701 1.00 0.00 WAT1 ATOM 2681 OH2 TIP3 92 -8.523 -36.591 -15.131 1.00 0.00 WAT1 ATOM 2682 H1 TIP3 92 -9.458 -36.737 -15.343 1.00 0.00 WAT1 ATOM 2683 H2 TIP3 92 -8.541 -36.191 -14.232 1.00 0.00 WAT1 ATOM 2684 OH2 TIP3 93 -3.788 -35.002 -15.534 1.00 0.00 WAT1 ATOM 2685 H1 TIP3 93 -3.322 -35.604 -16.147 1.00 0.00 WAT1 ATOM 2686 H2 TIP3 93 -3.268 -35.072 -14.693 1.00 0.00 WAT1 ATOM 2687 OH2 TIP3 94 -5.853 -39.090 -13.431 1.00 0.00 WAT1 ATOM 2688 H1 TIP3 94 -5.155 -39.786 -13.460 1.00 0.00 WAT1 ATOM 2689 H2 TIP3 94 -6.441 -39.380 -12.711 1.00 0.00 WAT1 ATOM 2690 OH2 TIP3 95 -10.479 -39.777 -15.957 1.00 0.00 WAT1 ATOM 2691 H1 TIP3 95 -9.545 -39.777 -16.259 1.00 0.00 WAT1 ATOM 2692 H2 TIP3 95 -10.845 -38.933 -16.310 1.00 0.00 WAT1 ATOM 2693 OH2 TIP3 96 -9.049 -47.165 -9.437 1.00 0.00 WAT1 ATOM 2694 H1 TIP3 96 -8.214 -46.661 -9.294 1.00 0.00 WAT1 ATOM 2695 H2 TIP3 96 -9.138 -47.205 -10.398 1.00 0.00 WAT1 ATOM 2696 OH2 TIP3 97 -7.495 -45.176 -13.840 1.00 0.00 WAT1 ATOM 2697 H1 TIP3 97 -7.683 -44.281 -13.507 1.00 0.00 WAT1 ATOM 2698 H2 TIP3 97 -6.973 -45.594 -13.124 1.00 0.00 WAT1 ATOM 2699 OH2 TIP3 98 -5.891 -46.214 -11.722 1.00 0.00 WAT1 ATOM 2700 H1 TIP3 98 -5.366 -47.041 -11.792 1.00 0.00 WAT1 ATOM 2701 H2 TIP3 98 -5.208 -45.498 -11.729 1.00 0.00 WAT1 ATOM 2702 OH2 TIP3 99 -1.181 -31.979 -18.751 1.00 0.00 WAT1 ATOM 2703 H1 TIP3 99 -0.699 -32.516 -18.103 1.00 0.00 WAT1 ATOM 2704 H2 TIP3 99 -0.790 -32.232 -19.611 1.00 0.00 WAT1 ATOM 2705 OH2 TIP3 100 -0.959 -33.842 -16.404 1.00 0.00 WAT1 ATOM 2706 H1 TIP3 100 -1.391 -34.647 -16.759 1.00 0.00 WAT1 ATOM 2707 H2 TIP3 100 -0.538 -34.152 -15.572 1.00 0.00 WAT1 ATOM 2708 OH2 TIP3 101 1.717 -41.223 -24.494 1.00 0.00 WAT1 ATOM 2709 H1 TIP3 101 2.589 -41.553 -24.193 1.00 0.00 WAT1 ATOM 2710 H2 TIP3 101 1.561 -40.427 -23.942 1.00 0.00 WAT1 ATOM 2711 OH2 TIP3 102 -3.144 -41.001 -18.989 1.00 0.00 WAT1 ATOM 2712 H1 TIP3 102 -3.426 -40.221 -18.451 1.00 0.00 WAT1 ATOM 2713 H2 TIP3 102 -3.867 -41.107 -19.643 1.00 0.00 WAT1 ATOM 2714 OH2 TIP3 103 -1.828 -36.459 -16.826 1.00 0.00 WAT1 ATOM 2715 H1 TIP3 103 -1.121 -36.833 -17.380 1.00 0.00 WAT1 ATOM 2716 H2 TIP3 103 -2.081 -37.199 -16.232 1.00 0.00 WAT1 ATOM 2717 OH2 TIP3 104 -2.551 -43.790 -19.398 1.00 0.00 WAT1 ATOM 2718 H1 TIP3 104 -2.843 -42.894 -19.159 1.00 0.00 WAT1 ATOM 2719 H2 TIP3 104 -2.491 -43.769 -20.377 1.00 0.00 WAT1 ATOM 2720 OH2 TIP3 105 -7.807 -40.049 -16.593 1.00 0.00 WAT1 ATOM 2721 H1 TIP3 105 -7.233 -40.696 -16.135 1.00 0.00 WAT1 ATOM 2722 H2 TIP3 105 -7.339 -39.193 -16.478 1.00 0.00 WAT1 ATOM 2723 OH2 TIP3 106 2.525 -50.688 -8.864 1.00 0.00 WAT1 ATOM 2724 H1 TIP3 106 2.308 -51.513 -9.330 1.00 0.00 WAT1 ATOM 2725 H2 TIP3 106 1.872 -50.041 -9.206 1.00 0.00 WAT1 ATOM 2726 OH2 TIP3 107 1.480 -46.570 -11.295 1.00 0.00 WAT1 ATOM 2727 H1 TIP3 107 1.110 -45.667 -11.438 1.00 0.00 WAT1 ATOM 2728 H2 TIP3 107 2.092 -46.460 -10.550 1.00 0.00 WAT1 ATOM 2729 OH2 TIP3 108 -7.984 -32.855 -9.664 1.00 0.00 WAT1 ATOM 2730 H1 TIP3 108 -7.815 -32.913 -10.632 1.00 0.00 WAT1 ATOM 2731 H2 TIP3 108 -8.386 -31.989 -9.547 1.00 0.00 WAT1 ATOM 2732 OH2 TIP3 109 -2.000 -44.544 -15.371 1.00 0.00 WAT1 ATOM 2733 H1 TIP3 109 -1.953 -43.753 -15.962 1.00 0.00 WAT1 ATOM 2734 H2 TIP3 109 -2.850 -44.431 -14.896 1.00 0.00 WAT1 ATOM 2735 OH2 TIP3 110 -2.936 -30.458 -15.152 1.00 0.00 WAT1 ATOM 2736 H1 TIP3 110 -1.997 -30.683 -15.304 1.00 0.00 WAT1 ATOM 2737 H2 TIP3 110 -3.422 -31.056 -15.753 1.00 0.00 WAT1 ATOM 2738 OH2 TIP3 111 -3.770 -47.983 -11.687 1.00 0.00 WAT1 ATOM 2739 H1 TIP3 111 -3.210 -48.155 -10.909 1.00 0.00 WAT1 ATOM 2740 H2 TIP3 111 -3.204 -47.438 -12.271 1.00 0.00 WAT1 ATOM 2741 OH2 TIP3 112 -6.109 -39.210 -7.678 1.00 0.00 WAT1 ATOM 2742 H1 TIP3 112 -6.906 -39.776 -7.698 1.00 0.00 WAT1 ATOM 2743 H2 TIP3 112 -5.422 -39.753 -8.120 1.00 0.00 WAT1 ATOM 2744 OH2 TIP3 113 -10.586 -41.323 -1.203 1.00 0.00 WAT1 ATOM 2745 H1 TIP3 113 -10.558 -41.401 -2.185 1.00 0.00 WAT1 ATOM 2746 H2 TIP3 113 -10.941 -42.184 -0.906 1.00 0.00 WAT1 ATOM 2747 OH2 TIP3 114 -7.238 -35.949 -2.353 1.00 0.00 WAT1 ATOM 2748 H1 TIP3 114 -7.817 -36.621 -1.918 1.00 0.00 WAT1 ATOM 2749 H2 TIP3 114 -7.857 -35.344 -2.779 1.00 0.00 WAT1 ATOM 2750 OH2 TIP3 115 -8.768 -37.890 -1.188 1.00 0.00 WAT1 ATOM 2751 H1 TIP3 115 -8.556 -38.692 -0.656 1.00 0.00 WAT1 ATOM 2752 H2 TIP3 115 -9.611 -38.104 -1.605 1.00 0.00 WAT1 ATOM 2753 OH2 TIP3 116 -10.345 -41.552 -3.911 1.00 0.00 WAT1 ATOM 2754 H1 TIP3 116 -10.855 -42.190 -4.448 1.00 0.00 WAT1 ATOM 2755 H2 TIP3 116 -9.461 -41.546 -4.324 1.00 0.00 WAT1 ATOM 2756 OH2 TIP3 117 -6.346 -36.701 -6.496 1.00 0.00 WAT1 ATOM 2757 H1 TIP3 117 -6.186 -35.987 -7.155 1.00 0.00 WAT1 ATOM 2758 H2 TIP3 117 -6.272 -37.533 -7.018 1.00 0.00 WAT1 ATOM 2759 OH2 TIP3 118 -10.592 -50.176 -4.332 1.00 0.00 WAT1 ATOM 2760 H1 TIP3 118 -10.838 -49.345 -4.793 1.00 0.00 WAT1 ATOM 2761 H2 TIP3 118 -9.639 -50.288 -4.541 1.00 0.00 WAT1 ATOM 2762 OH2 TIP3 119 -4.069 -40.579 -8.854 1.00 0.00 WAT1 ATOM 2763 H1 TIP3 119 -3.967 -41.528 -9.127 1.00 0.00 WAT1 ATOM 2764 H2 TIP3 119 -3.856 -40.077 -9.668 1.00 0.00 WAT1 ATOM 2765 OH2 TIP3 120 -6.716 -41.005 -11.458 1.00 0.00 WAT1 ATOM 2766 H1 TIP3 120 -5.760 -41.109 -11.707 1.00 0.00 WAT1 ATOM 2767 H2 TIP3 120 -7.193 -41.531 -12.127 1.00 0.00 WAT1 ATOM 2768 OH2 TIP3 121 -6.678 -41.399 -2.669 1.00 0.00 WAT1 ATOM 2769 H1 TIP3 121 -7.081 -41.450 -3.566 1.00 0.00 WAT1 ATOM 2770 H2 TIP3 121 -6.813 -40.483 -2.400 1.00 0.00 WAT1 ATOM 2771 OH2 TIP3 122 -9.007 -35.924 -6.530 1.00 0.00 WAT1 ATOM 2772 H1 TIP3 122 -8.052 -36.112 -6.426 1.00 0.00 WAT1 ATOM 2773 H2 TIP3 122 -9.439 -36.727 -6.232 1.00 0.00 WAT1 ATOM 2774 OH2 TIP3 123 -1.892 -49.045 -9.869 1.00 0.00 WAT1 ATOM 2775 H1 TIP3 123 -2.192 -49.622 -9.140 1.00 0.00 WAT1 ATOM 2776 H2 TIP3 123 -1.967 -49.611 -10.665 1.00 0.00 WAT1 ATOM 2777 OH2 TIP3 124 -9.627 -35.028 -9.065 1.00 0.00 WAT1 ATOM 2778 H1 TIP3 124 -9.438 -35.299 -8.141 1.00 0.00 WAT1 ATOM 2779 H2 TIP3 124 -9.017 -34.284 -9.224 1.00 0.00 WAT1 ATOM 2780 OH2 TIP3 125 -4.963 -36.559 -12.747 1.00 0.00 WAT1 ATOM 2781 H1 TIP3 125 -4.000 -36.565 -12.954 1.00 0.00 WAT1 ATOM 2782 H2 TIP3 125 -5.270 -37.451 -13.022 1.00 0.00 WAT1 ATOM 2783 OH2 TIP3 126 -6.222 -34.630 -8.361 1.00 0.00 WAT1 ATOM 2784 H1 TIP3 126 -6.258 -35.153 -9.193 1.00 0.00 WAT1 ATOM 2785 H2 TIP3 126 -6.788 -33.858 -8.549 1.00 0.00 WAT1 ATOM 2786 OH2 TIP3 127 -9.091 -43.432 -8.972 1.00 0.00 WAT1 ATOM 2787 H1 TIP3 127 -9.569 -43.249 -9.815 1.00 0.00 WAT1 ATOM 2788 H2 TIP3 127 -8.139 -43.416 -9.231 1.00 0.00 WAT1 ATOM 2789 OH2 TIP3 128 -11.296 -43.700 -5.443 1.00 0.00 WAT1 ATOM 2790 H1 TIP3 128 -10.354 -43.788 -5.706 1.00 0.00 WAT1 ATOM 2791 H2 TIP3 128 -11.752 -44.359 -5.983 1.00 0.00 WAT1 ATOM 2792 OH2 TIP3 129 -8.545 -40.253 0.129 1.00 0.00 WAT1 ATOM 2793 H1 TIP3 129 -9.208 -40.692 -0.459 1.00 0.00 WAT1 ATOM 2794 H2 TIP3 129 -8.173 -40.990 0.651 1.00 0.00 WAT1 ATOM 2795 OH2 TIP3 130 -8.829 -45.423 -3.012 1.00 0.00 WAT1 ATOM 2796 H1 TIP3 130 -8.570 -44.803 -2.291 1.00 0.00 WAT1 ATOM 2797 H2 TIP3 130 -8.963 -46.289 -2.553 1.00 0.00 WAT1 ATOM 2798 OH2 TIP3 131 -7.807 -43.540 -1.298 1.00 0.00 WAT1 ATOM 2799 H1 TIP3 131 -7.963 -43.246 -0.378 1.00 0.00 WAT1 ATOM 2800 H2 TIP3 131 -7.402 -42.762 -1.733 1.00 0.00 WAT1 ATOM 2801 OH2 TIP3 132 -12.176 -45.622 1.828 1.00 0.00 WAT1 ATOM 2802 H1 TIP3 132 -12.678 -46.452 1.693 1.00 0.00 WAT1 ATOM 2803 H2 TIP3 132 -12.559 -45.243 2.642 1.00 0.00 WAT1 ATOM 2804 OH2 TIP3 133 -7.843 -41.663 -5.148 1.00 0.00 WAT1 ATOM 2805 H1 TIP3 133 -7.915 -41.184 -5.998 1.00 0.00 WAT1 ATOM 2806 H2 TIP3 133 -7.984 -42.605 -5.395 1.00 0.00 WAT1 ATOM 2807 OH2 TIP3 134 -6.510 -42.913 -9.543 1.00 0.00 WAT1 ATOM 2808 H1 TIP3 134 -6.671 -42.105 -10.078 1.00 0.00 WAT1 ATOM 2809 H2 TIP3 134 -5.530 -43.055 -9.622 1.00 0.00 WAT1 ATOM 2810 OH2 TIP3 135 -10.799 -39.962 1.805 1.00 0.00 WAT1 ATOM 2811 H1 TIP3 135 -10.114 -40.022 1.110 1.00 0.00 WAT1 ATOM 2812 H2 TIP3 135 -11.473 -40.622 1.536 1.00 0.00 WAT1 ATOM 2813 OH2 TIP3 136 -10.912 -36.130 -11.146 1.00 0.00 WAT1 ATOM 2814 H1 TIP3 136 -11.750 -36.473 -10.833 1.00 0.00 WAT1 ATOM 2815 H2 TIP3 136 -10.494 -35.739 -10.340 1.00 0.00 WAT1 ATOM 2816 OH2 TIP3 137 -8.876 -41.043 3.487 1.00 0.00 WAT1 ATOM 2817 H1 TIP3 137 -9.649 -40.609 3.082 1.00 0.00 WAT1 ATOM 2818 H2 TIP3 137 -8.311 -40.301 3.779 1.00 0.00 WAT1 ATOM 2819 OH2 TIP3 138 -4.918 -33.772 2.720 1.00 0.00 WAT1 ATOM 2820 H1 TIP3 138 -5.288 -32.998 2.254 1.00 0.00 WAT1 ATOM 2821 H2 TIP3 138 -5.258 -33.685 3.638 1.00 0.00 WAT1 ATOM 2822 OH2 TIP3 139 -8.746 -43.932 -6.336 1.00 0.00 WAT1 ATOM 2823 H1 TIP3 139 -8.808 -43.839 -7.311 1.00 0.00 WAT1 ATOM 2824 H2 TIP3 139 -8.474 -44.865 -6.201 1.00 0.00 WAT1 ATOM 2825 OH2 TIP3 140 -5.214 -36.519 -0.533 1.00 0.00 WAT1 ATOM 2826 H1 TIP3 140 -5.870 -36.212 -1.190 1.00 0.00 WAT1 ATOM 2827 H2 TIP3 140 -4.599 -37.082 -1.053 1.00 0.00 WAT1 ATOM 2828 OH2 TIP3 141 -3.533 -39.021 -10.996 1.00 0.00 WAT1 ATOM 2829 H1 TIP3 141 -3.829 -39.802 -11.533 1.00 0.00 WAT1 ATOM 2830 H2 TIP3 141 -2.967 -38.500 -11.626 1.00 0.00 WAT1 ATOM 2831 OH2 TIP3 142 -1.823 -36.489 0.460 1.00 0.00 WAT1 ATOM 2832 H1 TIP3 142 -1.673 -37.370 0.050 1.00 0.00 WAT1 ATOM 2833 H2 TIP3 142 -0.949 -36.256 0.843 1.00 0.00 WAT1 ATOM 2834 OH2 TIP3 143 -6.731 -45.744 -9.161 1.00 0.00 WAT1 ATOM 2835 H1 TIP3 143 -6.382 -45.946 -10.059 1.00 0.00 WAT1 ATOM 2836 H2 TIP3 143 -6.568 -44.787 -9.056 1.00 0.00 WAT1 ATOM 2837 OH2 TIP3 144 -8.782 -35.404 -12.661 1.00 0.00 WAT1 ATOM 2838 H1 TIP3 144 -8.695 -34.447 -12.488 1.00 0.00 WAT1 ATOM 2839 H2 TIP3 144 -9.603 -35.665 -12.180 1.00 0.00 WAT1 ATOM 2840 OH2 TIP3 145 -8.384 -40.850 -7.781 1.00 0.00 WAT1 ATOM 2841 H1 TIP3 145 -8.452 -41.741 -8.169 1.00 0.00 WAT1 ATOM 2842 H2 TIP3 145 -9.058 -40.339 -8.245 1.00 0.00 WAT1 ATOM 2843 OH2 TIP3 146 -8.490 -42.753 1.383 1.00 0.00 WAT1 ATOM 2844 H1 TIP3 146 -8.466 -42.289 2.251 1.00 0.00 WAT1 ATOM 2845 H2 TIP3 146 -9.154 -43.445 1.507 1.00 0.00 WAT1 ATOM 2846 OH2 TIP3 147 -8.142 -46.448 -5.435 1.00 0.00 WAT1 ATOM 2847 H1 TIP3 147 -8.398 -46.112 -4.545 1.00 0.00 WAT1 ATOM 2848 H2 TIP3 147 -7.193 -46.205 -5.518 1.00 0.00 WAT1 ATOM 2849 OH2 TIP3 148 -7.072 -36.148 4.446 1.00 0.00 WAT1 ATOM 2850 H1 TIP3 148 -7.781 -35.960 3.802 1.00 0.00 WAT1 ATOM 2851 H2 TIP3 148 -6.765 -35.267 4.730 1.00 0.00 WAT1 ATOM 2852 OH2 TIP3 149 -11.076 -37.617 3.118 1.00 0.00 WAT1 ATOM 2853 H1 TIP3 149 -11.623 -37.837 3.876 1.00 0.00 WAT1 ATOM 2854 H2 TIP3 149 -11.023 -38.458 2.606 1.00 0.00 WAT1 ATOM 2855 OH2 TIP3 150 -8.000 -42.457 -13.453 1.00 0.00 WAT1 ATOM 2856 H1 TIP3 150 -8.870 -42.109 -13.750 1.00 0.00 WAT1 ATOM 2857 H2 TIP3 150 -7.391 -42.253 -14.202 1.00 0.00 WAT1 ATOM 2858 OH2 TIP3 151 -6.850 -37.604 1.653 1.00 0.00 WAT1 ATOM 2859 H1 TIP3 151 -6.994 -37.737 0.706 1.00 0.00 WAT1 ATOM 2860 H2 TIP3 151 -7.610 -37.050 1.935 1.00 0.00 WAT1 ATOM 2861 OH2 TIP3 152 -11.532 -43.751 -0.066 1.00 0.00 WAT1 ATOM 2862 H1 TIP3 152 -11.534 -44.115 -0.981 1.00 0.00 WAT1 ATOM 2863 H2 TIP3 152 -11.670 -44.542 0.508 1.00 0.00 WAT1 ATOM 2864 OH2 TIP3 153 -10.628 -41.699 -13.960 1.00 0.00 WAT1 ATOM 2865 H1 TIP3 153 -11.029 -42.269 -14.646 1.00 0.00 WAT1 ATOM 2866 H2 TIP3 153 -10.644 -40.805 -14.360 1.00 0.00 WAT1 ATOM 2867 OH2 TIP3 154 -7.319 -38.835 4.093 1.00 0.00 WAT1 ATOM 2868 H1 TIP3 154 -7.062 -38.694 3.159 1.00 0.00 WAT1 ATOM 2869 H2 TIP3 154 -7.264 -37.936 4.490 1.00 0.00 WAT1 ATOM 2870 OH2 TIP3 155 -12.761 -41.910 1.519 1.00 0.00 WAT1 ATOM 2871 H1 TIP3 155 -13.610 -41.881 1.063 1.00 0.00 WAT1 ATOM 2872 H2 TIP3 155 -12.256 -42.609 1.038 1.00 0.00 WAT1 ATOM 2873 OH2 TIP3 156 -13.991 -47.749 1.845 1.00 0.00 WAT1 ATOM 2874 H1 TIP3 156 -14.410 -48.611 1.854 1.00 0.00 WAT1 ATOM 2875 H2 TIP3 156 -14.644 -47.159 2.287 1.00 0.00 WAT1 ATOM 2876 OH2 TIP3 157 -11.328 -44.454 -2.744 1.00 0.00 WAT1 ATOM 2877 H1 TIP3 157 -11.524 -44.142 -3.646 1.00 0.00 WAT1 ATOM 2878 H2 TIP3 157 -10.432 -44.841 -2.819 1.00 0.00 WAT1 ATOM 2879 OH2 TIP3 158 -15.615 -46.018 3.151 1.00 0.00 WAT1 ATOM 2880 H1 TIP3 158 -14.882 -45.443 3.466 1.00 0.00 WAT1 ATOM 2881 H2 TIP3 158 -16.411 -45.573 3.450 1.00 0.00 WAT1 ATOM 2882 OH2 TIP3 159 -10.953 -50.017 -1.669 1.00 0.00 WAT1 ATOM 2883 H1 TIP3 159 -10.885 -50.117 -2.649 1.00 0.00 WAT1 ATOM 2884 H2 TIP3 159 -11.899 -50.062 -1.492 1.00 0.00 WAT1 ATOM 2885 OH2 TIP3 160 -11.252 -50.639 2.202 1.00 0.00 WAT1 ATOM 2886 H1 TIP3 160 -11.770 -49.846 2.374 1.00 0.00 WAT1 ATOM 2887 H2 TIP3 160 -11.240 -51.106 3.052 1.00 0.00 WAT1 ATOM 2888 OH2 TIP3 161 -8.986 -36.052 2.434 1.00 0.00 WAT1 ATOM 2889 H1 TIP3 161 -9.422 -35.394 1.885 1.00 0.00 WAT1 ATOM 2890 H2 TIP3 161 -9.725 -36.630 2.751 1.00 0.00 WAT1 ATOM 2891 OH2 TIP3 162 -5.998 -31.638 1.270 1.00 0.00 WAT1 ATOM 2892 H1 TIP3 162 -6.985 -31.661 1.298 1.00 0.00 WAT1 ATOM 2893 H2 TIP3 162 -5.784 -31.810 0.345 1.00 0.00 WAT1 ATOM 2894 OH2 TIP3 163 -3.499 -37.909 -2.135 1.00 0.00 WAT1 ATOM 2895 H1 TIP3 163 -4.088 -37.701 -2.894 1.00 0.00 WAT1 ATOM 2896 H2 TIP3 163 -2.676 -37.454 -2.341 1.00 0.00 WAT1 ATOM 2897 OH2 TIP3 164 -9.088 -47.943 -1.960 1.00 0.00 WAT1 ATOM 2898 H1 TIP3 164 -9.821 -48.548 -1.737 1.00 0.00 WAT1 ATOM 2899 H2 TIP3 164 -8.316 -48.536 -2.073 1.00 0.00 WAT1 ATOM 2900 OH2 TIP3 165 -7.015 -49.719 -2.570 1.00 0.00 WAT1 ATOM 2901 H1 TIP3 165 -6.098 -49.943 -2.821 1.00 0.00 WAT1 ATOM 2902 H2 TIP3 165 -7.516 -49.813 -3.411 1.00 0.00 WAT1 ATOM 2903 OH2 TIP3 166 -6.102 -47.792 -7.328 1.00 0.00 WAT1 ATOM 2904 H1 TIP3 166 -6.184 -46.995 -7.890 1.00 0.00 WAT1 ATOM 2905 H2 TIP3 166 -7.007 -47.953 -7.010 1.00 0.00 WAT1 ATOM 2906 OH2 TIP3 167 -10.725 -45.758 -7.752 1.00 0.00 WAT1 ATOM 2907 H1 TIP3 167 -10.498 -44.888 -8.112 1.00 0.00 WAT1 ATOM 2908 H2 TIP3 167 -10.241 -46.386 -8.329 1.00 0.00 WAT1 ATOM 2909 OH2 TIP3 168 -6.648 -35.701 -10.812 1.00 0.00 WAT1 ATOM 2910 H1 TIP3 168 -6.009 -36.084 -11.447 1.00 0.00 WAT1 ATOM 2911 H2 TIP3 168 -7.494 -35.713 -11.295 1.00 0.00 WAT1 ATOM 2912 OH2 TIP3 169 -14.127 -51.300 5.876 1.00 0.00 WAT1 ATOM 2913 H1 TIP3 169 -13.767 -51.964 5.248 1.00 0.00 WAT1 ATOM 2914 H2 TIP3 169 -14.212 -51.792 6.717 1.00 0.00 WAT1 ATOM 2915 OH2 TIP3 170 -4.483 -43.460 11.195 1.00 0.00 WAT1 ATOM 2916 H1 TIP3 170 -5.174 -43.514 10.492 1.00 0.00 WAT1 ATOM 2917 H2 TIP3 170 -4.088 -42.570 11.067 1.00 0.00 WAT1 ATOM 2918 OH2 TIP3 171 -7.227 -42.960 16.523 1.00 0.00 WAT1 ATOM 2919 H1 TIP3 171 -6.883 -43.866 16.578 1.00 0.00 WAT1 ATOM 2920 H2 TIP3 171 -8.024 -42.975 17.089 1.00 0.00 WAT1 ATOM 2921 OH2 TIP3 172 -12.079 -37.976 20.088 1.00 0.00 WAT1 ATOM 2922 H1 TIP3 172 -13.018 -37.899 19.902 1.00 0.00 WAT1 ATOM 2923 H2 TIP3 172 -11.937 -37.379 20.862 1.00 0.00 WAT1 ATOM 2924 OH2 TIP3 173 -9.380 -43.832 18.067 1.00 0.00 WAT1 ATOM 2925 H1 TIP3 173 -8.986 -44.643 18.437 1.00 0.00 WAT1 ATOM 2926 H2 TIP3 173 -10.057 -44.166 17.436 1.00 0.00 WAT1 ATOM 2927 OH2 TIP3 174 -11.391 -47.370 14.826 1.00 0.00 WAT1 ATOM 2928 H1 TIP3 174 -10.723 -48.072 14.838 1.00 0.00 WAT1 ATOM 2929 H2 TIP3 174 -11.628 -47.285 13.880 1.00 0.00 WAT1 ATOM 2930 OH2 TIP3 175 -4.963 -35.331 10.052 1.00 0.00 WAT1 ATOM 2931 H1 TIP3 175 -5.324 -36.232 10.117 1.00 0.00 WAT1 ATOM 2932 H2 TIP3 175 -4.144 -35.365 10.587 1.00 0.00 WAT1 ATOM 2933 OH2 TIP3 176 -3.574 -47.014 19.183 1.00 0.00 WAT1 ATOM 2934 H1 TIP3 176 -2.927 -47.689 19.436 1.00 0.00 WAT1 ATOM 2935 H2 TIP3 176 -4.386 -47.249 19.695 1.00 0.00 WAT1 ATOM 2936 OH2 TIP3 177 -6.726 -51.749 13.864 1.00 0.00 WAT1 ATOM 2937 H1 TIP3 177 -6.784 -50.821 14.208 1.00 0.00 WAT1 ATOM 2938 H2 TIP3 177 -6.198 -52.221 14.548 1.00 0.00 WAT1 ATOM 2939 OH2 TIP3 178 -3.715 -40.938 10.018 1.00 0.00 WAT1 ATOM 2940 H1 TIP3 178 -4.134 -41.194 9.167 1.00 0.00 WAT1 ATOM 2941 H2 TIP3 178 -2.861 -40.536 9.754 1.00 0.00 WAT1 ATOM 2942 OH2 TIP3 179 -10.456 -36.168 18.637 1.00 0.00 WAT1 ATOM 2943 H1 TIP3 179 -10.227 -35.619 19.411 1.00 0.00 WAT1 ATOM 2944 H2 TIP3 179 -10.952 -36.918 19.015 1.00 0.00 WAT1 ATOM 2945 OH2 TIP3 180 -11.717 -36.149 22.032 1.00 0.00 WAT1 ATOM 2946 H1 TIP3 180 -11.668 -35.918 22.965 1.00 0.00 WAT1 ATOM 2947 H2 TIP3 180 -11.104 -35.512 21.594 1.00 0.00 WAT1 ATOM 2948 OH2 TIP3 181 -5.003 -41.671 7.699 1.00 0.00 WAT1 ATOM 2949 H1 TIP3 181 -5.684 -41.109 7.262 1.00 0.00 WAT1 ATOM 2950 H2 TIP3 181 -4.399 -41.912 6.979 1.00 0.00 WAT1 ATOM 2951 OH2 TIP3 182 -4.965 -32.591 10.882 1.00 0.00 WAT1 ATOM 2952 H1 TIP3 182 -5.005 -33.516 10.560 1.00 0.00 WAT1 ATOM 2953 H2 TIP3 182 -5.422 -32.623 11.754 1.00 0.00 WAT1 ATOM 2954 OH2 TIP3 183 -7.525 -34.361 22.645 1.00 0.00 WAT1 ATOM 2955 H1 TIP3 183 -7.257 -33.782 23.400 1.00 0.00 WAT1 ATOM 2956 H2 TIP3 183 -6.704 -34.507 22.159 1.00 0.00 WAT1 ATOM 2957 OH2 TIP3 184 -6.647 -32.432 13.078 1.00 0.00 WAT1 ATOM 2958 H1 TIP3 184 -7.024 -32.812 13.898 1.00 0.00 WAT1 ATOM 2959 H2 TIP3 184 -7.432 -32.143 12.567 1.00 0.00 WAT1 ATOM 2960 OH2 TIP3 185 -5.985 -33.724 5.254 1.00 0.00 WAT1 ATOM 2961 H1 TIP3 185 -6.457 -33.053 5.756 1.00 0.00 WAT1 ATOM 2962 H2 TIP3 185 -5.559 -34.287 5.952 1.00 0.00 WAT1 ATOM 2963 OH2 TIP3 186 -6.540 -30.407 10.267 1.00 0.00 WAT1 ATOM 2964 H1 TIP3 186 -7.368 -30.685 10.717 1.00 0.00 WAT1 ATOM 2965 H2 TIP3 186 -5.969 -31.199 10.314 1.00 0.00 WAT1 ATOM 2966 OH2 TIP3 187 -7.785 -45.467 21.520 1.00 0.00 WAT1 ATOM 2967 H1 TIP3 187 -8.625 -45.212 21.953 1.00 0.00 WAT1 ATOM 2968 H2 TIP3 187 -7.295 -44.616 21.439 1.00 0.00 WAT1 ATOM 2969 OH2 TIP3 188 -8.209 -42.652 11.531 1.00 0.00 WAT1 ATOM 2970 H1 TIP3 188 -7.894 -42.088 12.263 1.00 0.00 WAT1 ATOM 2971 H2 TIP3 188 -9.169 -42.556 11.553 1.00 0.00 WAT1 ATOM 2972 OH2 TIP3 189 -8.560 -42.993 24.179 1.00 0.00 WAT1 ATOM 2973 H1 TIP3 189 -8.767 -42.119 24.566 1.00 0.00 WAT1 ATOM 2974 H2 TIP3 189 -7.650 -43.174 24.486 1.00 0.00 WAT1 ATOM 2975 OH2 TIP3 190 -14.024 -48.767 6.868 1.00 0.00 WAT1 ATOM 2976 H1 TIP3 190 -13.972 -49.637 6.404 1.00 0.00 WAT1 ATOM 2977 H2 TIP3 190 -14.912 -48.451 6.670 1.00 0.00 WAT1 ATOM 2978 OH2 TIP3 191 -9.747 -42.290 20.337 1.00 0.00 WAT1 ATOM 2979 H1 TIP3 191 -9.603 -42.714 19.465 1.00 0.00 WAT1 ATOM 2980 H2 TIP3 191 -9.884 -43.040 20.948 1.00 0.00 WAT1 ATOM 2981 OH2 TIP3 192 -7.327 -46.644 14.418 1.00 0.00 WAT1 ATOM 2982 H1 TIP3 192 -7.066 -45.899 13.835 1.00 0.00 WAT1 ATOM 2983 H2 TIP3 192 -7.195 -46.295 15.320 1.00 0.00 WAT1 ATOM 2984 OH2 TIP3 193 -11.155 -44.688 7.537 1.00 0.00 WAT1 ATOM 2985 H1 TIP3 193 -10.987 -43.871 7.014 1.00 0.00 WAT1 ATOM 2986 H2 TIP3 193 -10.362 -45.233 7.384 1.00 0.00 WAT1 ATOM 2987 OH2 TIP3 194 -6.630 -45.742 17.088 1.00 0.00 WAT1 ATOM 2988 H1 TIP3 194 -7.381 -46.107 17.599 1.00 0.00 WAT1 ATOM 2989 H2 TIP3 194 -6.101 -45.249 17.765 1.00 0.00 WAT1 ATOM 2990 OH2 TIP3 195 -13.500 -44.540 4.042 1.00 0.00 WAT1 ATOM 2991 H1 TIP3 195 -13.450 -45.021 4.905 1.00 0.00 WAT1 ATOM 2992 H2 TIP3 195 -13.157 -43.649 4.247 1.00 0.00 WAT1 ATOM 2993 OH2 TIP3 196 -11.169 -45.216 16.510 1.00 0.00 WAT1 ATOM 2994 H1 TIP3 196 -11.141 -46.025 15.948 1.00 0.00 WAT1 ATOM 2995 H2 TIP3 196 -12.066 -44.892 16.408 1.00 0.00 WAT1 ATOM 2996 OH2 TIP3 197 -11.431 -47.544 12.064 1.00 0.00 WAT1 ATOM 2997 H1 TIP3 197 -11.153 -46.900 11.370 1.00 0.00 WAT1 ATOM 2998 H2 TIP3 197 -11.940 -48.205 11.580 1.00 0.00 WAT1 ATOM 2999 OH2 TIP3 198 -6.480 -43.477 9.406 1.00 0.00 WAT1 ATOM 3000 H1 TIP3 198 -7.220 -43.071 9.899 1.00 0.00 WAT1 ATOM 3001 H2 TIP3 198 -6.237 -42.806 8.739 1.00 0.00 WAT1 ATOM 3002 OH2 TIP3 199 -6.799 -42.965 21.155 1.00 0.00 WAT1 ATOM 3003 H1 TIP3 199 -5.969 -42.639 21.573 1.00 0.00 WAT1 ATOM 3004 H2 TIP3 199 -7.425 -42.233 21.263 1.00 0.00 WAT1 ATOM 3005 OH2 TIP3 200 -6.256 -39.672 12.564 1.00 0.00 WAT1 ATOM 3006 H1 TIP3 200 -6.267 -39.013 13.264 1.00 0.00 WAT1 ATOM 3007 H2 TIP3 200 -6.335 -40.526 13.038 1.00 0.00 WAT1 ATOM 3008 OH2 TIP3 201 -10.838 -39.051 24.356 1.00 0.00 WAT1 ATOM 3009 H1 TIP3 201 -10.116 -38.705 23.788 1.00 0.00 WAT1 ATOM 3010 H2 TIP3 201 -11.385 -39.568 23.747 1.00 0.00 WAT1 ATOM 3011 OH2 TIP3 202 -9.859 -34.526 20.886 1.00 0.00 WAT1 ATOM 3012 H1 TIP3 202 -9.952 -33.669 20.403 1.00 0.00 WAT1 ATOM 3013 H2 TIP3 202 -9.069 -34.401 21.445 1.00 0.00 WAT1 ATOM 3014 OH2 TIP3 203 -10.591 -39.940 21.419 1.00 0.00 WAT1 ATOM 3015 H1 TIP3 203 -11.088 -39.441 20.740 1.00 0.00 WAT1 ATOM 3016 H2 TIP3 203 -10.331 -40.775 20.963 1.00 0.00 WAT1 ATOM 3017 OH2 TIP3 204 -5.736 -37.935 7.558 1.00 0.00 WAT1 ATOM 3018 H1 TIP3 204 -5.631 -38.121 8.513 1.00 0.00 WAT1 ATOM 3019 H2 TIP3 204 -6.222 -38.707 7.217 1.00 0.00 WAT1 ATOM 3020 OH2 TIP3 205 -5.246 -38.482 10.249 1.00 0.00 WAT1 ATOM 3021 H1 TIP3 205 -5.799 -38.770 11.004 1.00 0.00 WAT1 ATOM 3022 H2 TIP3 205 -4.600 -39.203 10.146 1.00 0.00 WAT1 ATOM 3023 OH2 TIP3 206 -8.532 -46.273 19.050 1.00 0.00 WAT1 ATOM 3024 H1 TIP3 206 -9.397 -46.680 19.184 1.00 0.00 WAT1 ATOM 3025 H2 TIP3 206 -8.255 -45.987 19.953 1.00 0.00 WAT1 ATOM 3026 OH2 TIP3 207 -6.808 -41.963 14.041 1.00 0.00 WAT1 ATOM 3027 H1 TIP3 207 -6.602 -42.871 13.750 1.00 0.00 WAT1 ATOM 3028 H2 TIP3 207 -6.982 -42.061 15.007 1.00 0.00 WAT1 ATOM 3029 OH2 TIP3 208 -10.110 -44.208 22.341 1.00 0.00 WAT1 ATOM 3030 H1 TIP3 208 -9.536 -43.717 22.982 1.00 0.00 WAT1 ATOM 3031 H2 TIP3 208 -10.933 -44.343 22.820 1.00 0.00 WAT1 ATOM 3032 OH2 TIP3 209 -10.629 -45.969 9.976 1.00 0.00 WAT1 ATOM 3033 H1 TIP3 209 -9.877 -46.193 9.411 1.00 0.00 WAT1 ATOM 3034 H2 TIP3 209 -11.166 -45.372 9.424 1.00 0.00 WAT1 ATOM 3035 OH2 TIP3 210 -5.526 -44.314 19.106 1.00 0.00 WAT1 ATOM 3036 H1 TIP3 210 -4.696 -44.431 19.601 1.00 0.00 WAT1 ATOM 3037 H2 TIP3 210 -6.084 -43.775 19.703 1.00 0.00 WAT1 ATOM 3038 OH2 TIP3 211 -5.136 -35.242 7.294 1.00 0.00 WAT1 ATOM 3039 H1 TIP3 211 -5.324 -36.206 7.215 1.00 0.00 WAT1 ATOM 3040 H2 TIP3 211 -5.037 -35.100 8.258 1.00 0.00 WAT1 ATOM 3041 OH2 TIP3 212 -11.264 -36.544 25.506 1.00 0.00 WAT1 ATOM 3042 H1 TIP3 212 -11.366 -37.481 25.237 1.00 0.00 WAT1 ATOM 3043 H2 TIP3 212 -10.422 -36.264 25.078 1.00 0.00 WAT1 ATOM 3044 OH2 TIP3 213 -6.996 -40.292 6.408 1.00 0.00 WAT1 ATOM 3045 H1 TIP3 213 -7.006 -39.829 5.541 1.00 0.00 WAT1 ATOM 3046 H2 TIP3 213 -7.802 -40.827 6.397 1.00 0.00 WAT1 ATOM 3047 OH2 TIP3 214 -10.401 -42.717 5.801 1.00 0.00 WAT1 ATOM 3048 H1 TIP3 214 -11.119 -42.298 5.285 1.00 0.00 WAT1 ATOM 3049 H2 TIP3 214 -9.774 -43.032 5.124 1.00 0.00 WAT1 ATOM 3050 OH2 TIP3 215 -12.587 -41.872 4.270 1.00 0.00 WAT1 ATOM 3051 H1 TIP3 215 -12.568 -41.873 3.287 1.00 0.00 WAT1 ATOM 3052 H2 TIP3 215 -13.272 -41.235 4.492 1.00 0.00 WAT1 ATOM 3053 OH2 TIP3 216 -8.845 -38.323 22.655 1.00 0.00 WAT1 ATOM 3054 H1 TIP3 216 -7.957 -38.740 22.577 1.00 0.00 WAT1 ATOM 3055 H2 TIP3 216 -9.413 -38.857 22.051 1.00 0.00 WAT1 ATOM 3056 OH2 TIP3 217 -6.240 -42.460 25.591 1.00 0.00 WAT1 ATOM 3057 H1 TIP3 217 -5.485 -42.680 26.172 1.00 0.00 WAT1 ATOM 3058 H2 TIP3 217 -6.720 -41.774 26.072 1.00 0.00 WAT1 ATOM 3059 OH2 TIP3 218 -8.772 -40.525 25.492 1.00 0.00 WAT1 ATOM 3060 H1 TIP3 218 -8.854 -40.492 26.473 1.00 0.00 WAT1 ATOM 3061 H2 TIP3 218 -9.594 -40.107 25.169 1.00 0.00 WAT1 ATOM 3062 OH2 TIP3 219 -5.976 -47.390 20.480 1.00 0.00 WAT1 ATOM 3063 H1 TIP3 219 -6.376 -46.750 21.101 1.00 0.00 WAT1 ATOM 3064 H2 TIP3 219 -6.690 -47.601 19.869 1.00 0.00 WAT1 ATOM 3065 OH2 TIP3 220 -1.700 -47.690 24.823 1.00 0.00 WAT1 ATOM 3066 H1 TIP3 220 -2.146 -48.406 25.291 1.00 0.00 WAT1 ATOM 3067 H2 TIP3 220 -0.799 -47.693 25.190 1.00 0.00 WAT1 ATOM 3068 OH2 TIP3 221 -1.543 -46.039 22.655 1.00 0.00 WAT1 ATOM 3069 H1 TIP3 221 -0.894 -46.515 22.121 1.00 0.00 WAT1 ATOM 3070 H2 TIP3 221 -1.758 -46.665 23.386 1.00 0.00 WAT1 ATOM 3071 OH2 TIP3 222 -8.967 -36.117 24.144 1.00 0.00 WAT1 ATOM 3072 H1 TIP3 222 -8.967 -36.827 23.458 1.00 0.00 WAT1 ATOM 3073 H2 TIP3 222 -8.522 -35.362 23.700 1.00 0.00 WAT1 ATOM 3074 OH2 TIP3 223 -6.634 -32.907 24.760 1.00 0.00 WAT1 ATOM 3075 H1 TIP3 223 -7.112 -32.123 25.077 1.00 0.00 WAT1 ATOM 3076 H2 TIP3 223 -5.950 -33.058 25.437 1.00 0.00 WAT1 ATOM 3077 OH2 TIP3 224 0.858 -51.522 18.722 1.00 0.00 WAT1 ATOM 3078 H1 TIP3 224 0.131 -50.891 18.917 1.00 0.00 WAT1 ATOM 3079 H2 TIP3 224 1.368 -51.089 18.008 1.00 0.00 WAT1 ATOM 3080 OH2 TIP3 225 -9.962 -32.129 19.631 1.00 0.00 WAT1 ATOM 3081 H1 TIP3 225 -9.340 -31.920 18.909 1.00 0.00 WAT1 ATOM 3082 H2 TIP3 225 -10.010 -31.303 20.153 1.00 0.00 WAT1 ATOM 3083 OH2 TIP3 226 -9.621 -34.940 16.322 1.00 0.00 WAT1 ATOM 3084 H1 TIP3 226 -9.727 -35.433 17.168 1.00 0.00 WAT1 ATOM 3085 H2 TIP3 226 -10.505 -34.927 15.950 1.00 0.00 WAT1 ATOM 3086 OH2 TIP3 227 -6.519 -44.455 12.838 1.00 0.00 WAT1 ATOM 3087 H1 TIP3 227 -5.696 -44.170 12.397 1.00 0.00 WAT1 ATOM 3088 H2 TIP3 227 -7.229 -44.111 12.261 1.00 0.00 WAT1 ATOM 3089 OH2 TIP3 228 -9.256 -48.712 13.420 1.00 0.00 WAT1 ATOM 3090 H1 TIP3 228 -9.865 -48.204 12.851 1.00 0.00 WAT1 ATOM 3091 H2 TIP3 228 -8.593 -48.056 13.709 1.00 0.00 WAT1 ATOM 3092 OH2 TIP3 229 -13.388 -45.879 6.393 1.00 0.00 WAT1 ATOM 3093 H1 TIP3 229 -13.428 -46.813 6.653 1.00 0.00 WAT1 ATOM 3094 H2 TIP3 229 -12.659 -45.508 6.933 1.00 0.00 WAT1 ATOM 3095 OH2 TIP3 230 -5.092 -37.319 26.709 1.00 0.00 WAT1 ATOM 3096 H1 TIP3 230 -4.797 -36.479 26.288 1.00 0.00 WAT1 ATOM 3097 H2 TIP3 230 -6.030 -37.414 26.432 1.00 0.00 WAT1 ATOM 3098 OH2 TIP3 231 -3.523 -33.896 29.112 1.00 0.00 WAT1 ATOM 3099 H1 TIP3 231 -2.731 -34.396 28.829 1.00 0.00 WAT1 ATOM 3100 H2 TIP3 231 -4.199 -34.598 29.279 1.00 0.00 WAT1 ATOM 3101 OH2 TIP3 232 -7.922 -36.727 28.538 1.00 0.00 WAT1 ATOM 3102 H1 TIP3 232 -8.553 -37.304 29.013 1.00 0.00 WAT1 ATOM 3103 H2 TIP3 232 -7.851 -37.132 27.646 1.00 0.00 WAT1 ATOM 3104 OH2 TIP3 233 -10.017 -38.257 29.610 1.00 0.00 WAT1 ATOM 3105 H1 TIP3 233 -10.496 -38.345 30.442 1.00 0.00 WAT1 ATOM 3106 H2 TIP3 233 -10.522 -37.567 29.112 1.00 0.00 WAT1 ATOM 3107 OH2 TIP3 234 -8.787 -40.244 28.187 1.00 0.00 WAT1 ATOM 3108 H1 TIP3 234 -8.281 -40.635 28.905 1.00 0.00 WAT1 ATOM 3109 H2 TIP3 234 -9.319 -39.543 28.623 1.00 0.00 WAT1 ATOM 3110 OH2 TIP3 235 -1.504 -42.899 28.155 1.00 0.00 WAT1 ATOM 3111 H1 TIP3 235 -0.617 -43.245 27.942 1.00 0.00 WAT1 ATOM 3112 H2 TIP3 235 -1.370 -42.392 28.992 1.00 0.00 WAT1 ATOM 3113 OH2 TIP3 236 -7.144 -32.173 28.719 1.00 0.00 WAT1 ATOM 3114 H1 TIP3 236 -7.854 -31.604 29.096 1.00 0.00 WAT1 ATOM 3115 H2 TIP3 236 -6.394 -32.067 29.351 1.00 0.00 WAT1 ATOM 3116 OH2 TIP3 237 -5.294 -35.939 29.101 1.00 0.00 WAT1 ATOM 3117 H1 TIP3 237 -5.071 -36.549 28.374 1.00 0.00 WAT1 ATOM 3118 H2 TIP3 237 -6.257 -36.052 29.214 1.00 0.00 WAT1 ATOM 3119 OH2 TIP3 238 -9.050 -34.230 28.297 1.00 0.00 WAT1 ATOM 3120 H1 TIP3 238 -8.358 -33.567 28.493 1.00 0.00 WAT1 ATOM 3121 H2 TIP3 238 -8.588 -35.090 28.388 1.00 0.00 WAT1 ATOM 3122 OH2 TIP3 239 -3.025 -42.442 24.459 1.00 0.00 WAT1 ATOM 3123 H1 TIP3 239 -2.153 -42.876 24.534 1.00 0.00 WAT1 ATOM 3124 H2 TIP3 239 -3.498 -42.723 25.265 1.00 0.00 WAT1 ATOM 3125 OH2 TIP3 240 -3.927 -43.333 26.927 1.00 0.00 WAT1 ATOM 3126 H1 TIP3 240 -4.011 -44.292 26.987 1.00 0.00 WAT1 ATOM 3127 H2 TIP3 240 -3.115 -43.131 27.449 1.00 0.00 WAT1 ATOM 3128 OH2 TIP3 241 -7.715 -37.730 25.985 1.00 0.00 WAT1 ATOM 3129 H1 TIP3 241 -7.931 -38.629 25.680 1.00 0.00 WAT1 ATOM 3130 H2 TIP3 241 -8.149 -37.141 25.328 1.00 0.00 WAT1 ATOM 3131 OH2 TIP3 242 0.908 -43.006 26.590 1.00 0.00 WAT1 ATOM 3132 H1 TIP3 242 0.496 -43.575 25.908 1.00 0.00 WAT1 ATOM 3133 H2 TIP3 242 0.591 -42.113 26.376 1.00 0.00 WAT1 ATOM 3134 OH2 TIP3 243 -3.676 -35.133 25.963 1.00 0.00 WAT1 ATOM 3135 H1 TIP3 243 -2.972 -35.293 26.622 1.00 0.00 WAT1 ATOM 3136 H2 TIP3 243 -4.045 -34.267 26.213 1.00 0.00 WAT1 ATOM 3137 OH2 TIP3 244 -2.790 -31.217 26.370 1.00 0.00 WAT1 ATOM 3138 H1 TIP3 244 -3.066 -30.346 26.041 1.00 0.00 WAT1 ATOM 3139 H2 TIP3 244 -3.630 -31.680 26.554 1.00 0.00 WAT1 ATOM 3140 OH2 TIP3 245 -3.069 -39.057 26.396 1.00 0.00 WAT1 ATOM 3141 H1 TIP3 245 -2.498 -38.560 25.778 1.00 0.00 WAT1 ATOM 3142 H2 TIP3 245 -3.832 -38.450 26.564 1.00 0.00 WAT1 ATOM 3143 OH2 TIP3 246 -12.437 -34.086 25.965 1.00 0.00 WAT1 ATOM 3144 H1 TIP3 246 -12.064 -34.960 25.723 1.00 0.00 WAT1 ATOM 3145 H2 TIP3 246 -13.094 -34.290 26.640 1.00 0.00 WAT1 ATOM 3146 OH2 TIP3 247 -9.236 -30.665 29.583 1.00 0.00 WAT1 ATOM 3147 H1 TIP3 247 -9.703 -30.991 28.782 1.00 0.00 WAT1 ATOM 3148 H2 TIP3 247 -9.941 -30.385 30.172 1.00 0.00 WAT1 ATOM 3149 OH2 TIP3 248 -10.053 -31.851 27.286 1.00 0.00 WAT1 ATOM 3150 H1 TIP3 248 -10.593 -31.860 26.463 1.00 0.00 WAT1 ATOM 3151 H2 TIP3 248 -9.927 -32.801 27.500 1.00 0.00 WAT1 ATOM 3152 OH2 TIP3 249 -11.263 -31.890 24.848 1.00 0.00 WAT1 ATOM 3153 H1 TIP3 249 -11.731 -31.614 24.026 1.00 0.00 WAT1 ATOM 3154 H2 TIP3 249 -11.777 -32.666 25.165 1.00 0.00 WAT1 ATOM 3155 OH2 TIP3 250 -11.109 -36.212 28.233 1.00 0.00 WAT1 ATOM 3156 H1 TIP3 250 -10.592 -35.386 28.299 1.00 0.00 WAT1 ATOM 3157 H2 TIP3 250 -11.219 -36.349 27.269 1.00 0.00 WAT1 ATOM 3158 OH2 TIP3 251 -1.946 -35.885 28.061 1.00 0.00 WAT1 ATOM 3159 H1 TIP3 251 -1.096 -36.219 27.697 1.00 0.00 WAT1 ATOM 3160 H2 TIP3 251 -2.239 -36.594 28.659 1.00 0.00 WAT1 ATOM 3161 OH2 TIP3 252 -1.659 -38.772 28.824 1.00 0.00 WAT1 ATOM 3162 H1 TIP3 252 -0.878 -38.394 28.374 1.00 0.00 WAT1 ATOM 3163 H2 TIP3 252 -2.255 -39.025 28.094 1.00 0.00 WAT1 ATOM 3164 OH2 TIP3 253 -1.100 -40.949 26.274 1.00 0.00 WAT1 ATOM 3165 H1 TIP3 253 -1.285 -41.693 26.881 1.00 0.00 WAT1 ATOM 3166 H2 TIP3 253 -1.923 -40.421 26.293 1.00 0.00 WAT1 ATOM 3167 OH2 TIP3 254 -4.259 -42.546 22.039 1.00 0.00 WAT1 ATOM 3168 H1 TIP3 254 -3.835 -42.467 22.922 1.00 0.00 WAT1 ATOM 3169 H2 TIP3 254 -3.861 -43.357 21.655 1.00 0.00 WAT1 ATOM 3170 OH2 TIP3 255 -0.711 -44.099 24.577 1.00 0.00 WAT1 ATOM 3171 H1 TIP3 255 -1.030 -44.919 24.157 1.00 0.00 WAT1 ATOM 3172 H2 TIP3 255 -0.303 -43.598 23.836 1.00 0.00 WAT1 ATOM 3173 OH2 TIP3 256 0.096 -49.199 26.797 1.00 0.00 WAT1 ATOM 3174 H1 TIP3 256 0.534 -49.048 27.667 1.00 0.00 WAT1 ATOM 3175 H2 TIP3 256 0.630 -48.669 26.169 1.00 0.00 WAT1 ATOM 3176 OH2 TIP3 257 -7.182 -27.696 25.932 1.00 0.00 WAT1 ATOM 3177 H1 TIP3 257 -6.289 -27.963 26.263 1.00 0.00 WAT1 ATOM 3178 H2 TIP3 257 -7.736 -28.471 26.110 1.00 0.00 WAT1 ATOM 3179 OH2 TIP3 258 -3.328 -27.344 28.798 1.00 0.00 WAT1 ATOM 3180 H1 TIP3 258 -2.695 -26.853 28.234 1.00 0.00 WAT1 ATOM 3181 H2 TIP3 258 -3.284 -26.898 29.647 1.00 0.00 WAT1 ATOM 3182 OH2 TIP3 259 -0.026 -26.139 -17.936 1.00 0.00 WAT1 ATOM 3183 H1 TIP3 259 -0.155 -26.377 -18.884 1.00 0.00 WAT1 ATOM 3184 H2 TIP3 259 -0.125 -26.992 -17.467 1.00 0.00 WAT1 ATOM 3185 OH2 TIP3 260 -0.815 -25.941 -14.257 1.00 0.00 WAT1 ATOM 3186 H1 TIP3 260 -1.369 -26.708 -14.504 1.00 0.00 WAT1 ATOM 3187 H2 TIP3 260 -0.919 -25.326 -15.004 1.00 0.00 WAT1 ATOM 3188 OH2 TIP3 261 -0.668 -28.814 -17.246 1.00 0.00 WAT1 ATOM 3189 H1 TIP3 261 -0.897 -29.128 -18.133 1.00 0.00 WAT1 ATOM 3190 H2 TIP3 261 -0.441 -29.632 -16.755 1.00 0.00 WAT1 ATOM 3191 OH2 TIP3 262 -2.489 -27.785 -15.449 1.00 0.00 WAT1 ATOM 3192 H1 TIP3 262 -1.903 -27.980 -16.210 1.00 0.00 WAT1 ATOM 3193 H2 TIP3 262 -2.825 -28.670 -15.179 1.00 0.00 WAT1 ATOM 3194 OH2 TIP3 263 -4.155 -25.744 -14.691 1.00 0.00 WAT1 ATOM 3195 H1 TIP3 263 -3.532 -26.444 -14.990 1.00 0.00 WAT1 ATOM 3196 H2 TIP3 263 -5.011 -26.178 -14.690 1.00 0.00 WAT1 ATOM 3197 OH2 TIP3 264 -3.535 -33.926 -11.312 1.00 0.00 WAT1 ATOM 3198 H1 TIP3 264 -4.382 -33.686 -11.734 1.00 0.00 WAT1 ATOM 3199 H2 TIP3 264 -3.011 -34.333 -12.051 1.00 0.00 WAT1 ATOM 3200 OH2 TIP3 265 0.468 -32.344 -13.294 1.00 0.00 WAT1 ATOM 3201 H1 TIP3 265 1.272 -32.581 -12.784 1.00 0.00 WAT1 ATOM 3202 H2 TIP3 265 0.145 -33.205 -13.633 1.00 0.00 WAT1 ATOM 3203 OH2 TIP3 266 -0.386 -31.245 -15.715 1.00 0.00 WAT1 ATOM 3204 H1 TIP3 266 -0.624 -32.135 -16.056 1.00 0.00 WAT1 ATOM 3205 H2 TIP3 266 0.086 -31.432 -14.878 1.00 0.00 WAT1 ATOM 3206 OH2 TIP3 267 -7.750 -32.770 -12.422 1.00 0.00 WAT1 ATOM 3207 H1 TIP3 267 -6.902 -33.200 -12.697 1.00 0.00 WAT1 ATOM 3208 H2 TIP3 267 -7.952 -32.168 -13.146 1.00 0.00 WAT1 ATOM 3209 OH2 TIP3 268 -3.321 -20.455 -3.219 1.00 0.00 WAT1 ATOM 3210 H1 TIP3 268 -3.975 -19.748 -3.272 1.00 0.00 WAT1 ATOM 3211 H2 TIP3 268 -3.398 -20.921 -4.093 1.00 0.00 WAT1 ATOM 3212 OH2 TIP3 269 1.117 -25.283 1.942 1.00 0.00 WAT1 ATOM 3213 H1 TIP3 269 0.142 -25.348 2.034 1.00 0.00 WAT1 ATOM 3214 H2 TIP3 269 1.437 -26.156 2.222 1.00 0.00 WAT1 ATOM 3215 OH2 TIP3 270 1.488 -28.583 -0.377 1.00 0.00 WAT1 ATOM 3216 H1 TIP3 270 0.795 -28.059 -0.832 1.00 0.00 WAT1 ATOM 3217 H2 TIP3 270 1.863 -29.138 -1.073 1.00 0.00 WAT1 ATOM 3218 OH2 TIP3 271 -0.958 -28.130 -4.002 1.00 0.00 WAT1 ATOM 3219 H1 TIP3 271 -1.568 -28.849 -4.261 1.00 0.00 WAT1 ATOM 3220 H2 TIP3 271 -0.408 -27.991 -4.796 1.00 0.00 WAT1 ATOM 3221 OH2 TIP3 272 -1.847 -16.047 -1.274 1.00 0.00 WAT1 ATOM 3222 H1 TIP3 272 -2.015 -15.728 -2.169 1.00 0.00 WAT1 ATOM 3223 H2 TIP3 272 -0.877 -16.186 -1.247 1.00 0.00 WAT1 ATOM 3224 OH2 TIP3 273 -1.094 -27.880 1.131 1.00 0.00 WAT1 ATOM 3225 H1 TIP3 273 -0.718 -28.773 1.180 1.00 0.00 WAT1 ATOM 3226 H2 TIP3 273 -0.957 -27.614 0.199 1.00 0.00 WAT1 ATOM 3227 OH2 TIP3 274 -0.620 -22.571 -3.180 1.00 0.00 WAT1 ATOM 3228 H1 TIP3 274 -0.225 -22.377 -4.060 1.00 0.00 WAT1 ATOM 3229 H2 TIP3 274 -0.797 -21.686 -2.800 1.00 0.00 WAT1 ATOM 3230 OH2 TIP3 275 -2.625 -24.808 -8.653 1.00 0.00 WAT1 ATOM 3231 H1 TIP3 275 -2.011 -25.525 -8.850 1.00 0.00 WAT1 ATOM 3232 H2 TIP3 275 -2.735 -24.345 -9.508 1.00 0.00 WAT1 ATOM 3233 OH2 TIP3 276 -4.745 -21.066 2.156 1.00 0.00 WAT1 ATOM 3234 H1 TIP3 276 -4.556 -20.158 2.450 1.00 0.00 WAT1 ATOM 3235 H2 TIP3 276 -4.218 -21.168 1.340 1.00 0.00 WAT1 ATOM 3236 OH2 TIP3 277 -2.187 -32.742 -9.233 1.00 0.00 WAT1 ATOM 3237 H1 TIP3 277 -2.530 -32.964 -10.126 1.00 0.00 WAT1 ATOM 3238 H2 TIP3 277 -1.256 -32.458 -9.395 1.00 0.00 WAT1 ATOM 3239 OH2 TIP3 278 -0.391 -19.986 -11.046 1.00 0.00 WAT1 ATOM 3240 H1 TIP3 278 -0.915 -20.121 -11.863 1.00 0.00 WAT1 ATOM 3241 H2 TIP3 278 0.307 -20.667 -11.099 1.00 0.00 WAT1 ATOM 3242 OH2 TIP3 279 -2.699 -22.435 5.472 1.00 0.00 WAT1 ATOM 3243 H1 TIP3 279 -3.401 -23.117 5.391 1.00 0.00 WAT1 ATOM 3244 H2 TIP3 279 -2.069 -22.662 4.763 1.00 0.00 WAT1 ATOM 3245 OH2 TIP3 280 -4.594 -24.383 4.917 1.00 0.00 WAT1 ATOM 3246 H1 TIP3 280 -4.570 -25.143 4.301 1.00 0.00 WAT1 ATOM 3247 H2 TIP3 280 -5.278 -23.792 4.544 1.00 0.00 WAT1 ATOM 3248 OH2 TIP3 281 -3.212 -13.921 5.367 1.00 0.00 WAT1 ATOM 3249 H1 TIP3 281 -3.234 -14.574 6.103 1.00 0.00 WAT1 ATOM 3250 H2 TIP3 281 -4.166 -13.710 5.204 1.00 0.00 WAT1 ATOM 3251 OH2 TIP3 282 -1.587 -24.389 -1.436 1.00 0.00 WAT1 ATOM 3252 H1 TIP3 282 -2.490 -24.065 -1.274 1.00 0.00 WAT1 ATOM 3253 H2 TIP3 282 -1.233 -23.774 -2.111 1.00 0.00 WAT1 ATOM 3254 OH2 TIP3 283 -6.564 -16.762 3.418 1.00 0.00 WAT1 ATOM 3255 H1 TIP3 283 -7.287 -16.201 3.785 1.00 0.00 WAT1 ATOM 3256 H2 TIP3 283 -5.863 -16.722 4.103 1.00 0.00 WAT1 ATOM 3257 OH2 TIP3 284 -2.318 -21.467 -9.740 1.00 0.00 WAT1 ATOM 3258 H1 TIP3 284 -2.376 -22.248 -10.336 1.00 0.00 WAT1 ATOM 3259 H2 TIP3 284 -1.706 -20.860 -10.201 1.00 0.00 WAT1 ATOM 3260 OH2 TIP3 285 -0.855 -19.995 -2.185 1.00 0.00 WAT1 ATOM 3261 H1 TIP3 285 -0.472 -19.291 -2.758 1.00 0.00 WAT1 ATOM 3262 H2 TIP3 285 -1.790 -20.064 -2.485 1.00 0.00 WAT1 ATOM 3263 OH2 TIP3 286 -2.904 -20.976 0.083 1.00 0.00 WAT1 ATOM 3264 H1 TIP3 286 -3.026 -20.094 -0.341 1.00 0.00 WAT1 ATOM 3265 H2 TIP3 286 -3.263 -21.612 -0.576 1.00 0.00 WAT1 ATOM 3266 OH2 TIP3 287 -4.944 -16.762 1.214 1.00 0.00 WAT1 ATOM 3267 H1 TIP3 287 -5.655 -16.753 1.896 1.00 0.00 WAT1 ATOM 3268 H2 TIP3 287 -5.040 -15.914 0.763 1.00 0.00 WAT1 ATOM 3269 OH2 TIP3 288 -4.393 -21.171 -8.026 1.00 0.00 WAT1 ATOM 3270 H1 TIP3 288 -3.627 -21.266 -8.633 1.00 0.00 WAT1 ATOM 3271 H2 TIP3 288 -5.125 -20.949 -8.604 1.00 0.00 WAT1 ATOM 3272 OH2 TIP3 289 -1.676 -25.436 2.181 1.00 0.00 WAT1 ATOM 3273 H1 TIP3 289 -2.619 -25.484 2.417 1.00 0.00 WAT1 ATOM 3274 H2 TIP3 289 -1.478 -26.332 1.818 1.00 0.00 WAT1 ATOM 3275 OH2 TIP3 290 -3.902 -22.703 -1.785 1.00 0.00 WAT1 ATOM 3276 H1 TIP3 290 -3.687 -21.978 -2.412 1.00 0.00 WAT1 ATOM 3277 H2 TIP3 290 -4.668 -23.136 -2.180 1.00 0.00 WAT1 ATOM 3278 OH2 TIP3 291 2.291 -15.717 -3.723 1.00 0.00 WAT1 ATOM 3279 H1 TIP3 291 1.783 -15.808 -2.901 1.00 0.00 WAT1 ATOM 3280 H2 TIP3 291 2.486 -14.760 -3.775 1.00 0.00 WAT1 ATOM 3281 OH2 TIP3 292 -4.681 -17.173 5.355 1.00 0.00 WAT1 ATOM 3282 H1 TIP3 292 -5.363 -17.573 5.938 1.00 0.00 WAT1 ATOM 3283 H2 TIP3 292 -4.150 -16.619 5.955 1.00 0.00 WAT1 ATOM 3284 OH2 TIP3 293 -1.839 -20.216 2.407 1.00 0.00 WAT1 ATOM 3285 H1 TIP3 293 -2.513 -19.520 2.573 1.00 0.00 WAT1 ATOM 3286 H2 TIP3 293 -2.056 -20.541 1.503 1.00 0.00 WAT1 ATOM 3287 OH2 TIP3 294 -6.171 -21.991 4.281 1.00 0.00 WAT1 ATOM 3288 H1 TIP3 294 -5.632 -21.892 3.465 1.00 0.00 WAT1 ATOM 3289 H2 TIP3 294 -6.654 -21.144 4.344 1.00 0.00 WAT1 ATOM 3290 OH2 TIP3 295 -2.735 -23.482 -14.095 1.00 0.00 WAT1 ATOM 3291 H1 TIP3 295 -3.394 -24.208 -14.207 1.00 0.00 WAT1 ATOM 3292 H2 TIP3 295 -2.100 -23.631 -14.821 1.00 0.00 WAT1 ATOM 3293 OH2 TIP3 296 -4.968 -24.519 7.644 1.00 0.00 WAT1 ATOM 3294 H1 TIP3 296 -4.722 -24.629 6.701 1.00 0.00 WAT1 ATOM 3295 H2 TIP3 296 -5.136 -25.435 7.955 1.00 0.00 WAT1 ATOM 3296 OH2 TIP3 297 -3.839 -18.508 3.037 1.00 0.00 WAT1 ATOM 3297 H1 TIP3 297 -4.124 -17.848 2.365 1.00 0.00 WAT1 ATOM 3298 H2 TIP3 297 -4.180 -18.147 3.885 1.00 0.00 WAT1 ATOM 3299 OH2 TIP3 298 -4.089 -26.702 3.204 1.00 0.00 WAT1 ATOM 3300 H1 TIP3 298 -3.372 -27.188 3.624 1.00 0.00 WAT1 ATOM 3301 H2 TIP3 298 -4.628 -27.398 2.778 1.00 0.00 WAT1 ATOM 3302 OH2 TIP3 299 2.052 -13.984 -0.530 1.00 0.00 WAT1 ATOM 3303 H1 TIP3 299 2.643 -13.859 -1.293 1.00 0.00 WAT1 ATOM 3304 H2 TIP3 299 1.532 -13.152 -0.499 1.00 0.00 WAT1 ATOM 3305 OH2 TIP3 300 0.917 -16.328 -1.390 1.00 0.00 WAT1 ATOM 3306 H1 TIP3 300 1.223 -15.513 -0.927 1.00 0.00 WAT1 ATOM 3307 H2 TIP3 300 1.570 -17.014 -1.125 1.00 0.00 WAT1 ATOM 3308 OH2 TIP3 301 -3.782 -21.827 -5.467 1.00 0.00 WAT1 ATOM 3309 H1 TIP3 301 -3.614 -22.789 -5.567 1.00 0.00 WAT1 ATOM 3310 H2 TIP3 301 -4.052 -21.538 -6.370 1.00 0.00 WAT1 ATOM 3311 OH2 TIP3 302 -3.261 -18.284 -0.425 1.00 0.00 WAT1 ATOM 3312 H1 TIP3 302 -3.944 -17.842 0.117 1.00 0.00 WAT1 ATOM 3313 H2 TIP3 302 -2.714 -17.546 -0.764 1.00 0.00 WAT1 ATOM 3314 OH2 TIP3 303 -1.123 -22.611 -7.552 1.00 0.00 WAT1 ATOM 3315 H1 TIP3 303 -1.412 -22.046 -8.294 1.00 0.00 WAT1 ATOM 3316 H2 TIP3 303 -1.859 -23.235 -7.434 1.00 0.00 WAT1 ATOM 3317 OH2 TIP3 304 -2.363 -23.737 -11.262 1.00 0.00 WAT1 ATOM 3318 H1 TIP3 304 -1.558 -24.291 -11.371 1.00 0.00 WAT1 ATOM 3319 H2 TIP3 304 -2.755 -23.714 -12.155 1.00 0.00 WAT1 ATOM 3320 OH2 TIP3 305 -3.321 -24.477 -6.036 1.00 0.00 WAT1 ATOM 3321 H1 TIP3 305 -3.201 -24.673 -6.991 1.00 0.00 WAT1 ATOM 3322 H2 TIP3 305 -3.539 -25.330 -5.646 1.00 0.00 WAT1 ATOM 3323 OH2 TIP3 306 0.864 -22.649 5.069 1.00 0.00 WAT1 ATOM 3324 H1 TIP3 306 0.157 -22.805 4.409 1.00 0.00 WAT1 ATOM 3325 H2 TIP3 306 0.751 -23.357 5.709 1.00 0.00 WAT1 ATOM 3326 OH2 TIP3 307 -0.391 -30.179 -11.832 1.00 0.00 WAT1 ATOM 3327 H1 TIP3 307 0.000 -30.877 -12.402 1.00 0.00 WAT1 ATOM 3328 H2 TIP3 307 -1.285 -30.066 -12.181 1.00 0.00 WAT1 ATOM 3329 OH2 TIP3 308 0.531 -27.833 -6.373 1.00 0.00 WAT1 ATOM 3330 H1 TIP3 308 0.976 -28.083 -7.213 1.00 0.00 WAT1 ATOM 3331 H2 TIP3 308 0.236 -26.913 -6.525 1.00 0.00 WAT1 ATOM 3332 OH2 TIP3 309 -0.516 -27.014 -1.497 1.00 0.00 WAT1 ATOM 3333 H1 TIP3 309 -0.910 -26.111 -1.480 1.00 0.00 WAT1 ATOM 3334 H2 TIP3 309 -0.771 -27.371 -2.382 1.00 0.00 WAT1 ATOM 3335 OH2 TIP3 310 -1.155 -22.908 3.260 1.00 0.00 WAT1 ATOM 3336 H1 TIP3 310 -1.420 -23.733 2.792 1.00 0.00 WAT1 ATOM 3337 H2 TIP3 310 -1.575 -22.193 2.746 1.00 0.00 WAT1 ATOM 3338 OH2 TIP3 311 -2.193 -30.263 -5.439 1.00 0.00 WAT1 ATOM 3339 H1 TIP3 311 -2.773 -31.016 -5.656 1.00 0.00 WAT1 ATOM 3340 H2 TIP3 311 -1.493 -30.310 -6.097 1.00 0.00 WAT1 ATOM 3341 OH2 TIP3 312 0.380 -31.875 -9.772 1.00 0.00 WAT1 ATOM 3342 H1 TIP3 312 1.264 -31.657 -9.381 1.00 0.00 WAT1 ATOM 3343 H2 TIP3 312 0.180 -31.112 -10.350 1.00 0.00 WAT1 ATOM 3344 OH2 TIP3 313 -2.241 -13.603 0.041 1.00 0.00 WAT1 ATOM 3345 H1 TIP3 313 -2.173 -14.505 -0.322 1.00 0.00 WAT1 ATOM 3346 H2 TIP3 313 -2.335 -13.737 1.006 1.00 0.00 WAT1 ATOM 3347 OH2 TIP3 314 -1.111 -30.936 1.233 1.00 0.00 WAT1 ATOM 3348 H1 TIP3 314 -1.355 -30.933 0.300 1.00 0.00 WAT1 ATOM 3349 H2 TIP3 314 -1.934 -30.738 1.696 1.00 0.00 WAT1 ATOM 3350 OH2 TIP3 315 3.650 -29.833 -2.775 1.00 0.00 WAT1 ATOM 3351 H1 TIP3 315 4.205 -30.623 -2.918 1.00 0.00 WAT1 ATOM 3352 H2 TIP3 315 3.167 -29.725 -3.625 1.00 0.00 WAT1 ATOM 3353 OH2 TIP3 316 -5.335 -37.088 -3.977 1.00 0.00 WAT1 ATOM 3354 H1 TIP3 316 -6.006 -36.626 -3.435 1.00 0.00 WAT1 ATOM 3355 H2 TIP3 316 -5.675 -37.007 -4.896 1.00 0.00 WAT1 ATOM 3356 OH2 TIP3 317 -3.386 -32.544 -6.760 1.00 0.00 WAT1 ATOM 3357 H1 TIP3 317 -4.277 -32.856 -6.965 1.00 0.00 WAT1 ATOM 3358 H2 TIP3 317 -2.942 -32.490 -7.635 1.00 0.00 WAT1 ATOM 3359 OH2 TIP3 318 -5.332 -29.274 2.613 1.00 0.00 WAT1 ATOM 3360 H1 TIP3 318 -5.440 -30.055 2.033 1.00 0.00 WAT1 ATOM 3361 H2 TIP3 318 -5.988 -29.404 3.303 1.00 0.00 WAT1 ATOM 3362 OH2 TIP3 319 -0.577 -14.820 5.234 1.00 0.00 WAT1 ATOM 3363 H1 TIP3 319 -1.468 -14.424 5.276 1.00 0.00 WAT1 ATOM 3364 H2 TIP3 319 -0.100 -14.263 4.585 1.00 0.00 WAT1 ATOM 3365 OH2 TIP3 320 -6.073 -21.740 15.329 1.00 0.00 WAT1 ATOM 3366 H1 TIP3 320 -5.488 -21.962 16.089 1.00 0.00 WAT1 ATOM 3367 H2 TIP3 320 -6.942 -21.603 15.733 1.00 0.00 WAT1 ATOM 3368 OH2 TIP3 321 -11.137 -18.273 19.506 1.00 0.00 WAT1 ATOM 3369 H1 TIP3 321 -11.086 -18.756 18.655 1.00 0.00 WAT1 ATOM 3370 H2 TIP3 321 -10.325 -18.542 19.984 1.00 0.00 WAT1 ATOM 3371 OH2 TIP3 322 -12.028 -26.606 13.249 1.00 0.00 WAT1 ATOM 3372 H1 TIP3 322 -11.069 -26.491 13.467 1.00 0.00 WAT1 ATOM 3373 H2 TIP3 322 -12.461 -25.883 13.712 1.00 0.00 WAT1 ATOM 3374 OH2 TIP3 323 -7.958 -32.849 15.576 1.00 0.00 WAT1 ATOM 3375 H1 TIP3 323 -8.458 -33.689 15.689 1.00 0.00 WAT1 ATOM 3376 H2 TIP3 323 -8.022 -32.419 16.453 1.00 0.00 WAT1 ATOM 3377 OH2 TIP3 324 -5.911 -21.131 9.541 1.00 0.00 WAT1 ATOM 3378 H1 TIP3 324 -6.590 -20.444 9.724 1.00 0.00 WAT1 ATOM 3379 H2 TIP3 324 -6.111 -21.424 8.623 1.00 0.00 WAT1 ATOM 3380 OH2 TIP3 325 -6.128 -22.112 7.024 1.00 0.00 WAT1 ATOM 3381 H1 TIP3 325 -6.316 -22.189 6.064 1.00 0.00 WAT1 ATOM 3382 H2 TIP3 325 -5.775 -22.997 7.271 1.00 0.00 WAT1 ATOM 3383 OH2 TIP3 326 -13.219 -16.695 20.085 1.00 0.00 WAT1 ATOM 3384 H1 TIP3 326 -13.677 -17.226 20.746 1.00 0.00 WAT1 ATOM 3385 H2 TIP3 326 -12.421 -17.238 19.852 1.00 0.00 WAT1 ATOM 3386 OH2 TIP3 327 -4.997 -21.447 12.818 1.00 0.00 WAT1 ATOM 3387 H1 TIP3 327 -5.380 -20.579 12.627 1.00 0.00 WAT1 ATOM 3388 H2 TIP3 327 -5.371 -21.683 13.702 1.00 0.00 WAT1 ATOM 3389 OH2 TIP3 328 -8.884 -15.925 19.767 1.00 0.00 WAT1 ATOM 3390 H1 TIP3 328 -8.139 -16.441 20.134 1.00 0.00 WAT1 ATOM 3391 H2 TIP3 328 -9.392 -15.646 20.555 1.00 0.00 WAT1 ATOM 3392 OH2 TIP3 329 -13.570 -17.703 13.484 1.00 0.00 WAT1 ATOM 3393 H1 TIP3 329 -14.044 -18.310 12.906 1.00 0.00 WAT1 ATOM 3394 H2 TIP3 329 -14.215 -17.510 14.209 1.00 0.00 WAT1 ATOM 3395 OH2 TIP3 330 -8.262 -15.288 5.010 1.00 0.00 WAT1 ATOM 3396 H1 TIP3 330 -9.124 -15.465 5.435 1.00 0.00 WAT1 ATOM 3397 H2 TIP3 330 -7.850 -14.622 5.581 1.00 0.00 WAT1 ATOM 3398 OH2 TIP3 331 -9.998 -29.875 21.252 1.00 0.00 WAT1 ATOM 3399 H1 TIP3 331 -9.614 -29.947 22.153 1.00 0.00 WAT1 ATOM 3400 H2 TIP3 331 -9.680 -29.013 20.924 1.00 0.00 WAT1 ATOM 3401 OH2 TIP3 332 -4.088 -20.321 6.467 1.00 0.00 WAT1 ATOM 3402 H1 TIP3 332 -3.548 -21.058 6.106 1.00 0.00 WAT1 ATOM 3403 H2 TIP3 332 -4.962 -20.727 6.627 1.00 0.00 WAT1 ATOM 3404 OH2 TIP3 333 -8.715 -31.533 1.220 1.00 0.00 WAT1 ATOM 3405 H1 TIP3 333 -9.162 -30.947 0.599 1.00 0.00 WAT1 ATOM 3406 H2 TIP3 333 -9.381 -31.721 1.891 1.00 0.00 WAT1 ATOM 3407 OH2 TIP3 334 -7.450 -22.895 18.998 1.00 0.00 WAT1 ATOM 3408 H1 TIP3 334 -6.888 -23.691 18.830 1.00 0.00 WAT1 ATOM 3409 H2 TIP3 334 -6.814 -22.221 19.322 1.00 0.00 WAT1 ATOM 3410 OH2 TIP3 335 -4.640 -22.507 17.555 1.00 0.00 WAT1 ATOM 3411 H1 TIP3 335 -5.020 -23.368 17.835 1.00 0.00 WAT1 ATOM 3412 H2 TIP3 335 -3.904 -22.368 18.164 1.00 0.00 WAT1 ATOM 3413 OH2 TIP3 336 -7.884 -28.523 13.350 1.00 0.00 WAT1 ATOM 3414 H1 TIP3 336 -8.805 -28.854 13.267 1.00 0.00 WAT1 ATOM 3415 H2 TIP3 336 -7.470 -29.136 14.002 1.00 0.00 WAT1 ATOM 3416 OH2 TIP3 337 -12.467 -28.867 11.831 1.00 0.00 WAT1 ATOM 3417 H1 TIP3 337 -12.244 -27.996 12.247 1.00 0.00 WAT1 ATOM 3418 H2 TIP3 337 -13.411 -28.802 11.648 1.00 0.00 WAT1 ATOM 3419 OH2 TIP3 338 -3.232 -13.997 26.729 1.00 0.00 WAT1 ATOM 3420 H1 TIP3 338 -2.958 -14.861 26.345 1.00 0.00 WAT1 ATOM 3421 H2 TIP3 338 -4.156 -14.130 26.965 1.00 0.00 WAT1 ATOM 3422 OH2 TIP3 339 -9.458 -26.276 13.995 1.00 0.00 WAT1 ATOM 3423 H1 TIP3 339 -8.698 -26.866 13.866 1.00 0.00 WAT1 ATOM 3424 H2 TIP3 339 -9.280 -25.837 14.860 1.00 0.00 WAT1 ATOM 3425 OH2 TIP3 340 -8.977 -25.224 16.452 1.00 0.00 WAT1 ATOM 3426 H1 TIP3 340 -8.839 -24.369 16.874 1.00 0.00 WAT1 ATOM 3427 H2 TIP3 340 -8.620 -25.872 17.098 1.00 0.00 WAT1 ATOM 3428 OH2 TIP3 341 -6.552 -18.492 13.457 1.00 0.00 WAT1 ATOM 3429 H1 TIP3 341 -6.297 -17.575 13.259 1.00 0.00 WAT1 ATOM 3430 H2 TIP3 341 -6.533 -18.537 14.437 1.00 0.00 WAT1 ATOM 3431 OH2 TIP3 342 -5.475 -27.111 8.399 1.00 0.00 WAT1 ATOM 3432 H1 TIP3 342 -6.211 -27.349 8.999 1.00 0.00 WAT1 ATOM 3433 H2 TIP3 342 -5.077 -27.955 8.169 1.00 0.00 WAT1 ATOM 3434 OH2 TIP3 343 -5.858 -18.663 18.587 1.00 0.00 WAT1 ATOM 3435 H1 TIP3 343 -5.886 -19.538 19.033 1.00 0.00 WAT1 ATOM 3436 H2 TIP3 343 -6.164 -18.035 19.273 1.00 0.00 WAT1 ATOM 3437 OH2 TIP3 344 -7.826 -19.212 9.848 1.00 0.00 WAT1 ATOM 3438 H1 TIP3 344 -8.427 -18.896 9.145 1.00 0.00 WAT1 ATOM 3439 H2 TIP3 344 -8.339 -19.090 10.676 1.00 0.00 WAT1 ATOM 3440 OH2 TIP3 345 -6.602 -17.837 16.136 1.00 0.00 WAT1 ATOM 3441 H1 TIP3 345 -7.525 -17.682 16.431 1.00 0.00 WAT1 ATOM 3442 H2 TIP3 345 -6.174 -18.265 16.914 1.00 0.00 WAT1 ATOM 3443 OH2 TIP3 346 -15.475 -17.362 15.370 1.00 0.00 WAT1 ATOM 3444 H1 TIP3 346 -16.421 -17.458 15.508 1.00 0.00 WAT1 ATOM 3445 H2 TIP3 346 -15.139 -17.029 16.233 1.00 0.00 WAT1 ATOM 3446 OH2 TIP3 347 -9.303 -17.668 8.003 1.00 0.00 WAT1 ATOM 3447 H1 TIP3 347 -9.752 -17.116 7.332 1.00 0.00 WAT1 ATOM 3448 H2 TIP3 347 -9.603 -17.292 8.857 1.00 0.00 WAT1 ATOM 3449 OH2 TIP3 348 -9.024 -17.109 17.282 1.00 0.00 WAT1 ATOM 3450 H1 TIP3 348 -9.682 -17.839 17.254 1.00 0.00 WAT1 ATOM 3451 H2 TIP3 348 -9.120 -16.735 18.188 1.00 0.00 WAT1 ATOM 3452 OH2 TIP3 349 -10.972 -18.133 14.332 1.00 0.00 WAT1 ATOM 3453 H1 TIP3 349 -10.758 -17.226 14.585 1.00 0.00 WAT1 ATOM 3454 H2 TIP3 349 -11.904 -18.083 14.026 1.00 0.00 WAT1 ATOM 3455 OH2 TIP3 350 -10.622 -19.304 16.983 1.00 0.00 WAT1 ATOM 3456 H1 TIP3 350 -10.888 -19.139 16.058 1.00 0.00 WAT1 ATOM 3457 H2 TIP3 350 -10.010 -20.069 16.924 1.00 0.00 WAT1 ATOM 3458 OH2 TIP3 351 -3.536 -18.366 8.282 1.00 0.00 WAT1 ATOM 3459 H1 TIP3 351 -4.431 -18.119 8.604 1.00 0.00 WAT1 ATOM 3460 H2 TIP3 351 -3.705 -19.105 7.648 1.00 0.00 WAT1 ATOM 3461 OH2 TIP3 352 -3.719 -17.722 20.584 1.00 0.00 WAT1 ATOM 3462 H1 TIP3 352 -4.550 -17.240 20.410 1.00 0.00 WAT1 ATOM 3463 H2 TIP3 352 -3.817 -18.542 20.083 1.00 0.00 WAT1 ATOM 3464 OH2 TIP3 353 -2.304 -14.963 9.774 1.00 0.00 WAT1 ATOM 3465 H1 TIP3 353 -3.178 -14.972 10.216 1.00 0.00 WAT1 ATOM 3466 H2 TIP3 353 -1.665 -14.948 10.513 1.00 0.00 WAT1 ATOM 3467 OH2 TIP3 354 -9.034 -18.468 12.262 1.00 0.00 WAT1 ATOM 3468 H1 TIP3 354 -9.713 -18.533 12.968 1.00 0.00 WAT1 ATOM 3469 H2 TIP3 354 -8.182 -18.597 12.738 1.00 0.00 WAT1 ATOM 3470 OH2 TIP3 355 -5.942 -26.398 15.947 1.00 0.00 WAT1 ATOM 3471 H1 TIP3 355 -5.754 -25.652 16.543 1.00 0.00 WAT1 ATOM 3472 H2 TIP3 355 -6.635 -26.895 16.407 1.00 0.00 WAT1 ATOM 3473 OH2 TIP3 356 -7.187 -27.781 10.490 1.00 0.00 WAT1 ATOM 3474 H1 TIP3 356 -7.618 -27.779 11.363 1.00 0.00 WAT1 ATOM 3475 H2 TIP3 356 -6.970 -28.730 10.336 1.00 0.00 WAT1 ATOM 3476 OH2 TIP3 357 -10.031 -16.614 10.465 1.00 0.00 WAT1 ATOM 3477 H1 TIP3 357 -10.845 -16.314 10.935 1.00 0.00 WAT1 ATOM 3478 H2 TIP3 357 -9.615 -17.244 11.094 1.00 0.00 WAT1 ATOM 3479 OH2 TIP3 358 -5.347 -27.482 13.406 1.00 0.00 WAT1 ATOM 3480 H1 TIP3 358 -5.400 -27.092 14.304 1.00 0.00 WAT1 ATOM 3481 H2 TIP3 358 -6.225 -27.890 13.275 1.00 0.00 WAT1 ATOM 3482 OH2 TIP3 359 -7.708 -26.772 18.297 1.00 0.00 WAT1 ATOM 3483 H1 TIP3 359 -8.078 -26.996 19.176 1.00 0.00 WAT1 ATOM 3484 H2 TIP3 359 -7.004 -26.111 18.492 1.00 0.00 WAT1 ATOM 3485 OH2 TIP3 360 -8.766 -31.282 11.661 1.00 0.00 WAT1 ATOM 3486 H1 TIP3 360 -9.185 -30.793 12.399 1.00 0.00 WAT1 ATOM 3487 H2 TIP3 360 -9.503 -31.427 11.030 1.00 0.00 WAT1 ATOM 3488 OH2 TIP3 361 -12.013 -15.811 12.204 1.00 0.00 WAT1 ATOM 3489 H1 TIP3 361 -11.662 -15.277 12.953 1.00 0.00 WAT1 ATOM 3490 H2 TIP3 361 -12.640 -16.433 12.629 1.00 0.00 WAT1 ATOM 3491 OH2 TIP3 362 -6.898 -18.149 6.698 1.00 0.00 WAT1 ATOM 3492 H1 TIP3 362 -7.035 -18.728 5.918 1.00 0.00 WAT1 ATOM 3493 H2 TIP3 362 -7.796 -18.052 7.083 1.00 0.00 WAT1 ATOM 3494 OH2 TIP3 363 -5.934 -20.853 20.139 1.00 0.00 WAT1 ATOM 3495 H1 TIP3 363 -6.193 -20.557 21.039 1.00 0.00 WAT1 ATOM 3496 H2 TIP3 363 -5.040 -21.249 20.263 1.00 0.00 WAT1 ATOM 3497 OH2 TIP3 364 -3.020 -15.870 7.287 1.00 0.00 WAT1 ATOM 3498 H1 TIP3 364 -3.159 -16.771 7.647 1.00 0.00 WAT1 ATOM 3499 H2 TIP3 364 -2.742 -15.343 8.074 1.00 0.00 WAT1 ATOM 3500 OH2 TIP3 365 -9.971 -14.858 22.103 1.00 0.00 WAT1 ATOM 3501 H1 TIP3 365 -9.247 -14.351 22.530 1.00 0.00 WAT1 ATOM 3502 H2 TIP3 365 -9.904 -15.758 22.511 1.00 0.00 WAT1 ATOM 3503 OH2 TIP3 366 -5.921 -17.335 9.143 1.00 0.00 WAT1 ATOM 3504 H1 TIP3 366 -6.506 -17.957 9.624 1.00 0.00 WAT1 ATOM 3505 H2 TIP3 366 -6.265 -17.351 8.226 1.00 0.00 WAT1 ATOM 3506 OH2 TIP3 367 -7.288 -19.357 4.206 1.00 0.00 WAT1 ATOM 3507 H1 TIP3 367 -6.946 -18.552 3.765 1.00 0.00 WAT1 ATOM 3508 H2 TIP3 367 -8.157 -19.490 3.812 1.00 0.00 WAT1 ATOM 3509 OH2 TIP3 368 -8.903 -19.117 20.840 1.00 0.00 WAT1 ATOM 3510 H1 TIP3 368 -8.003 -19.109 21.216 1.00 0.00 WAT1 ATOM 3511 H2 TIP3 368 -9.152 -20.071 20.849 1.00 0.00 WAT1 ATOM 3512 OH2 TIP3 369 -8.466 -21.052 17.251 1.00 0.00 WAT1 ATOM 3513 H1 TIP3 369 -8.019 -20.357 17.747 1.00 0.00 WAT1 ATOM 3514 H2 TIP3 369 -8.294 -21.863 17.773 1.00 0.00 WAT1 ATOM 3515 OH2 TIP3 370 -7.170 -22.660 23.073 1.00 0.00 WAT1 ATOM 3516 H1 TIP3 370 -6.368 -23.160 22.821 1.00 0.00 WAT1 ATOM 3517 H2 TIP3 370 -7.464 -23.084 23.890 1.00 0.00 WAT1 ATOM 3518 OH2 TIP3 371 -12.238 -30.959 22.489 1.00 0.00 WAT1 ATOM 3519 H1 TIP3 371 -12.967 -30.973 21.864 1.00 0.00 WAT1 ATOM 3520 H2 TIP3 371 -11.491 -30.589 21.977 1.00 0.00 WAT1 ATOM 3521 OH2 TIP3 372 -4.947 -24.405 22.769 1.00 0.00 WAT1 ATOM 3522 H1 TIP3 372 -4.760 -24.336 21.792 1.00 0.00 WAT1 ATOM 3523 H2 TIP3 372 -5.178 -25.334 22.895 1.00 0.00 WAT1 ATOM 3524 OH2 TIP3 373 -8.984 -27.187 20.767 1.00 0.00 WAT1 ATOM 3525 H1 TIP3 373 -8.602 -27.233 21.676 1.00 0.00 WAT1 ATOM 3526 H2 TIP3 373 -9.685 -26.530 20.839 1.00 0.00 WAT1 ATOM 3527 OH2 TIP3 374 -9.317 -30.065 23.936 1.00 0.00 WAT1 ATOM 3528 H1 TIP3 374 -10.079 -30.640 24.164 1.00 0.00 WAT1 ATOM 3529 H2 TIP3 374 -8.660 -30.258 24.638 1.00 0.00 WAT1 ATOM 3530 OH2 TIP3 375 -9.150 -14.466 8.974 1.00 0.00 WAT1 ATOM 3531 H1 TIP3 375 -8.882 -13.761 9.577 1.00 0.00 WAT1 ATOM 3532 H2 TIP3 375 -9.422 -15.201 9.569 1.00 0.00 WAT1 ATOM 3533 OH2 TIP3 376 -1.968 -14.895 21.454 1.00 0.00 WAT1 ATOM 3534 H1 TIP3 376 -2.934 -14.850 21.506 1.00 0.00 WAT1 ATOM 3535 H2 TIP3 376 -1.700 -13.981 21.200 1.00 0.00 WAT1 ATOM 3536 OH2 TIP3 377 -3.238 -21.608 9.301 1.00 0.00 WAT1 ATOM 3537 H1 TIP3 377 -4.184 -21.384 9.444 1.00 0.00 WAT1 ATOM 3538 H2 TIP3 377 -3.256 -22.251 8.583 1.00 0.00 WAT1 ATOM 3539 OH2 TIP3 378 -1.023 -29.185 9.269 1.00 0.00 WAT1 ATOM 3540 H1 TIP3 378 -0.822 -29.615 8.409 1.00 0.00 WAT1 ATOM 3541 H2 TIP3 378 -1.848 -29.632 9.569 1.00 0.00 WAT1 ATOM 3542 OH2 TIP3 379 -6.274 -16.694 20.509 1.00 0.00 WAT1 ATOM 3543 H1 TIP3 379 -6.298 -16.414 21.456 1.00 0.00 WAT1 ATOM 3544 H2 TIP3 379 -5.984 -15.885 20.025 1.00 0.00 WAT1 ATOM 3545 OH2 TIP3 380 -5.971 -15.168 16.220 1.00 0.00 WAT1 ATOM 3546 H1 TIP3 380 -6.112 -16.141 16.242 1.00 0.00 WAT1 ATOM 3547 H2 TIP3 380 -5.746 -14.940 17.147 1.00 0.00 WAT1 ATOM 3548 OH2 TIP3 381 -14.566 -12.815 20.983 1.00 0.00 WAT1 ATOM 3549 H1 TIP3 381 -13.715 -13.298 20.958 1.00 0.00 WAT1 ATOM 3550 H2 TIP3 381 -14.870 -12.916 21.889 1.00 0.00 WAT1 ATOM 3551 OH2 TIP3 382 -8.680 -15.107 15.465 1.00 0.00 WAT1 ATOM 3552 H1 TIP3 382 -7.862 -14.741 15.846 1.00 0.00 WAT1 ATOM 3553 H2 TIP3 382 -8.931 -15.823 16.089 1.00 0.00 WAT1 ATOM 3554 OH2 TIP3 383 -14.825 -16.338 17.823 1.00 0.00 WAT1 ATOM 3555 H1 TIP3 383 -14.209 -16.612 18.531 1.00 0.00 WAT1 ATOM 3556 H2 TIP3 383 -15.092 -15.450 18.076 1.00 0.00 WAT1 ATOM 3557 OH2 TIP3 384 -12.153 -14.166 20.531 1.00 0.00 WAT1 ATOM 3558 H1 TIP3 384 -12.516 -15.032 20.243 1.00 0.00 WAT1 ATOM 3559 H2 TIP3 384 -11.419 -14.407 21.137 1.00 0.00 WAT1 ATOM 3560 OH2 TIP3 385 -6.701 -30.349 14.977 1.00 0.00 WAT1 ATOM 3561 H1 TIP3 385 -7.198 -31.122 15.308 1.00 0.00 WAT1 ATOM 3562 H2 TIP3 385 -6.141 -30.717 14.274 1.00 0.00 WAT1 ATOM 3563 OH2 TIP3 386 -10.321 -29.750 13.372 1.00 0.00 WAT1 ATOM 3564 H1 TIP3 386 -10.701 -29.808 14.257 1.00 0.00 WAT1 ATOM 3565 H2 TIP3 386 -11.078 -29.495 12.802 1.00 0.00 WAT1 ATOM 3566 OH2 TIP3 387 -3.337 -30.526 9.969 1.00 0.00 WAT1 ATOM 3567 H1 TIP3 387 -3.628 -31.423 10.248 1.00 0.00 WAT1 ATOM 3568 H2 TIP3 387 -4.074 -29.955 10.224 1.00 0.00 WAT1 ATOM 3569 OH2 TIP3 388 -11.253 -30.980 10.454 1.00 0.00 WAT1 ATOM 3570 H1 TIP3 388 -11.925 -31.300 9.847 1.00 0.00 WAT1 ATOM 3571 H2 TIP3 388 -11.658 -30.190 10.867 1.00 0.00 WAT1 ATOM 3572 OH2 TIP3 389 -10.427 -15.458 6.758 1.00 0.00 WAT1 ATOM 3573 H1 TIP3 389 -10.028 -15.014 7.542 1.00 0.00 WAT1 ATOM 3574 H2 TIP3 389 -11.327 -15.113 6.722 1.00 0.00 WAT1 ATOM 3575 OH2 TIP3 390 -7.843 -30.641 26.172 1.00 0.00 WAT1 ATOM 3576 H1 TIP3 390 -8.605 -31.063 26.632 1.00 0.00 WAT1 ATOM 3577 H2 TIP3 390 -7.143 -30.620 26.845 1.00 0.00 WAT1 ATOM 3578 OH2 TIP3 391 -3.659 -16.778 23.150 1.00 0.00 WAT1 ATOM 3579 H1 TIP3 391 -4.549 -16.372 23.172 1.00 0.00 WAT1 ATOM 3580 H2 TIP3 391 -3.640 -17.262 22.302 1.00 0.00 WAT1 ATOM 3581 OH2 TIP3 392 -5.531 -16.354 25.671 1.00 0.00 WAT1 ATOM 3582 H1 TIP3 392 -4.557 -16.285 25.714 1.00 0.00 WAT1 ATOM 3583 H2 TIP3 392 -5.710 -17.289 25.893 1.00 0.00 WAT1 ATOM 3584 OH2 TIP3 393 -9.014 -21.831 21.043 1.00 0.00 WAT1 ATOM 3585 H1 TIP3 393 -8.648 -22.318 20.278 1.00 0.00 WAT1 ATOM 3586 H2 TIP3 393 -8.484 -22.144 21.798 1.00 0.00 WAT1 ATOM 3587 OH2 TIP3 394 -2.577 -21.537 33.315 1.00 0.00 WAT1 ATOM 3588 H1 TIP3 394 -2.980 -21.210 34.125 1.00 0.00 WAT1 ATOM 3589 H2 TIP3 394 -2.693 -22.492 33.359 1.00 0.00 WAT1 ATOM 3590 OH2 TIP3 395 -6.849 -19.938 22.548 1.00 0.00 WAT1 ATOM 3591 H1 TIP3 395 -7.087 -19.409 23.335 1.00 0.00 WAT1 ATOM 3592 H2 TIP3 395 -6.918 -20.865 22.856 1.00 0.00 WAT1 ATOM 3593 OH2 TIP3 396 -5.001 -32.855 27.062 1.00 0.00 WAT1 ATOM 3594 H1 TIP3 396 -5.854 -32.630 27.492 1.00 0.00 WAT1 ATOM 3595 H2 TIP3 396 -4.426 -33.128 27.811 1.00 0.00 WAT1 ATOM 3596 OH2 TIP3 397 -2.762 -16.464 25.677 1.00 0.00 WAT1 ATOM 3597 H1 TIP3 397 -1.949 -16.952 25.931 1.00 0.00 WAT1 ATOM 3598 H2 TIP3 397 -2.912 -16.719 24.736 1.00 0.00 WAT1 ATOM 3599 OH2 TIP3 398 -6.278 -15.797 23.107 1.00 0.00 WAT1 ATOM 3600 H1 TIP3 398 -6.160 -15.979 24.069 1.00 0.00 WAT1 ATOM 3601 H2 TIP3 398 -6.873 -15.020 23.084 1.00 0.00 WAT1 ATOM 3602 OH2 TIP3 399 -8.250 -27.572 23.357 1.00 0.00 WAT1 ATOM 3603 H1 TIP3 399 -8.717 -28.417 23.520 1.00 0.00 WAT1 ATOM 3604 H2 TIP3 399 -7.784 -27.395 24.197 1.00 0.00 WAT1 ATOM 3605 OH2 TIP3 400 -7.217 -24.946 26.174 1.00 0.00 WAT1 ATOM 3606 H1 TIP3 400 -7.893 -24.809 26.846 1.00 0.00 WAT1 ATOM 3607 H2 TIP3 400 -7.168 -25.923 26.079 1.00 0.00 WAT1 ATOM 3608 OH2 TIP3 401 -7.943 -18.844 24.881 1.00 0.00 WAT1 ATOM 3609 H1 TIP3 401 -8.598 -19.032 25.562 1.00 0.00 WAT1 ATOM 3610 H2 TIP3 401 -7.083 -18.883 25.358 1.00 0.00 WAT1 ATOM 3611 OH2 TIP3 402 -2.565 -22.610 22.979 1.00 0.00 WAT1 ATOM 3612 H1 TIP3 402 -3.163 -23.376 22.992 1.00 0.00 WAT1 ATOM 3613 H2 TIP3 402 -1.689 -22.984 23.208 1.00 0.00 WAT1 ATOM 3614 OH2 TIP3 403 -1.598 -20.177 31.112 1.00 0.00 WAT1 ATOM 3615 H1 TIP3 403 -2.004 -20.706 30.386 1.00 0.00 WAT1 ATOM 3616 H2 TIP3 403 -2.001 -20.545 31.927 1.00 0.00 WAT1 ATOM 3617 OH2 TIP3 404 1.118 -16.441 30.407 1.00 0.00 WAT1 ATOM 3618 H1 TIP3 404 1.782 -16.080 29.783 1.00 0.00 WAT1 ATOM 3619 H2 TIP3 404 1.468 -16.226 31.275 1.00 0.00 WAT1 ATOM 3620 OH2 TIP3 405 -4.347 -21.041 24.736 1.00 0.00 WAT1 ATOM 3621 H1 TIP3 405 -4.645 -21.902 25.090 1.00 0.00 WAT1 ATOM 3622 H2 TIP3 405 -3.635 -21.274 24.116 1.00 0.00 WAT1 ATOM 3623 OH2 TIP3 406 -7.808 -13.488 23.076 1.00 0.00 WAT1 ATOM 3624 H1 TIP3 406 -7.349 -12.864 22.466 1.00 0.00 WAT1 ATOM 3625 H2 TIP3 406 -7.754 -13.057 23.938 1.00 0.00 WAT1 ATOM 3626 OH2 TIP3 407 -5.550 -19.082 26.159 1.00 0.00 WAT1 ATOM 3627 H1 TIP3 407 -5.072 -19.691 25.540 1.00 0.00 WAT1 ATOM 3628 H2 TIP3 407 -5.088 -19.194 27.000 1.00 0.00 WAT1 ATOM 3629 OH2 TIP3 408 -9.320 -17.338 22.957 1.00 0.00 WAT1 ATOM 3630 H1 TIP3 408 -9.352 -17.996 22.236 1.00 0.00 WAT1 ATOM 3631 H2 TIP3 408 -8.831 -17.792 23.673 1.00 0.00 WAT1 ATOM 3632 OH2 TIP3 409 -2.192 -21.707 28.965 1.00 0.00 WAT1 ATOM 3633 H1 TIP3 409 -1.321 -21.387 28.661 1.00 0.00 WAT1 ATOM 3634 H2 TIP3 409 -2.481 -22.313 28.255 1.00 0.00 WAT1 ATOM 3635 OH2 TIP3 410 -2.486 -23.356 26.784 1.00 0.00 WAT1 ATOM 3636 H1 TIP3 410 -3.368 -23.431 26.363 1.00 0.00 WAT1 ATOM 3637 H2 TIP3 410 -2.228 -24.283 26.966 1.00 0.00 WAT1 ATOM 3638 OH2 TIP3 411 -0.129 -23.853 23.802 1.00 0.00 WAT1 ATOM 3639 H1 TIP3 411 -0.018 -23.172 24.507 1.00 0.00 WAT1 ATOM 3640 H2 TIP3 411 0.780 -24.181 23.644 1.00 0.00 WAT1 ATOM 3641 OH2 TIP3 412 -3.484 -21.927 20.481 1.00 0.00 WAT1 ATOM 3642 H1 TIP3 412 -3.715 -22.874 20.307 1.00 0.00 WAT1 ATOM 3643 H2 TIP3 412 -3.042 -21.948 21.354 1.00 0.00 WAT1 ATOM 3644 OH2 TIP3 413 -4.945 -23.617 25.455 1.00 0.00 WAT1 ATOM 3645 H1 TIP3 413 -4.906 -23.954 24.538 1.00 0.00 WAT1 ATOM 3646 H2 TIP3 413 -5.720 -24.082 25.849 1.00 0.00 WAT1 ATOM 3647 OH2 TIP3 414 -2.659 -28.484 25.278 1.00 0.00 WAT1 ATOM 3648 H1 TIP3 414 -2.552 -27.609 24.861 1.00 0.00 WAT1 ATOM 3649 H2 TIP3 414 -1.741 -28.811 25.378 1.00 0.00 WAT1 ATOM 3650 OH2 TIP3 415 -4.929 -31.848 30.236 1.00 0.00 WAT1 ATOM 3651 H1 TIP3 415 -4.310 -32.552 29.944 1.00 0.00 WAT1 ATOM 3652 H2 TIP3 415 -4.411 -31.316 30.845 1.00 0.00 WAT1 ATOM 3653 OH2 TIP3 416 -5.749 -13.145 4.932 1.00 0.00 WAT1 ATOM 3654 H1 TIP3 416 -6.269 -13.114 5.766 1.00 0.00 WAT1 ATOM 3655 H2 TIP3 416 -6.329 -12.742 4.277 1.00 0.00 WAT1 ATOM 3656 OH2 TIP3 417 0.776 -10.745 4.454 1.00 0.00 WAT1 ATOM 3657 H1 TIP3 417 1.642 -10.379 4.733 1.00 0.00 WAT1 ATOM 3658 H2 TIP3 417 0.145 -10.388 5.117 1.00 0.00 WAT1 ATOM 3659 OH2 TIP3 418 -2.567 -10.473 2.914 1.00 0.00 WAT1 ATOM 3660 H1 TIP3 418 -2.622 -9.517 2.799 1.00 0.00 WAT1 ATOM 3661 H2 TIP3 418 -2.715 -10.607 3.876 1.00 0.00 WAT1 ATOM 3662 OH2 TIP3 419 -1.186 -11.163 0.587 1.00 0.00 WAT1 ATOM 3663 H1 TIP3 419 -1.587 -11.997 0.248 1.00 0.00 WAT1 ATOM 3664 H2 TIP3 419 -1.780 -10.893 1.314 1.00 0.00 WAT1 ATOM 3665 OH2 TIP3 420 -2.364 -13.250 2.764 1.00 0.00 WAT1 ATOM 3666 H1 TIP3 420 -2.752 -13.589 3.594 1.00 0.00 WAT1 ATOM 3667 H2 TIP3 420 -2.583 -12.296 2.771 1.00 0.00 WAT1 ATOM 3668 OH2 TIP3 421 -7.427 -5.874 13.577 1.00 0.00 WAT1 ATOM 3669 H1 TIP3 421 -7.107 -6.775 13.396 1.00 0.00 WAT1 ATOM 3670 H2 TIP3 421 -8.174 -6.005 14.196 1.00 0.00 WAT1 ATOM 3671 OH2 TIP3 422 -9.548 -6.469 15.380 1.00 0.00 WAT1 ATOM 3672 H1 TIP3 422 -10.260 -5.851 15.190 1.00 0.00 WAT1 ATOM 3673 H2 TIP3 422 -9.941 -7.098 16.021 1.00 0.00 WAT1 ATOM 3674 OH2 TIP3 423 -7.837 -7.631 17.636 1.00 0.00 WAT1 ATOM 3675 H1 TIP3 423 -8.754 -7.927 17.463 1.00 0.00 WAT1 ATOM 3676 H2 TIP3 423 -7.787 -6.766 17.213 1.00 0.00 WAT1 ATOM 3677 OH2 TIP3 424 -13.494 -12.444 13.218 1.00 0.00 WAT1 ATOM 3678 H1 TIP3 424 -14.244 -12.109 12.715 1.00 0.00 WAT1 ATOM 3679 H2 TIP3 424 -13.158 -13.178 12.688 1.00 0.00 WAT1 ATOM 3680 OH2 TIP3 425 1.464 -4.885 18.691 1.00 0.00 WAT1 ATOM 3681 H1 TIP3 425 1.392 -4.155 19.315 1.00 0.00 WAT1 ATOM 3682 H2 TIP3 425 2.435 -5.032 18.603 1.00 0.00 WAT1 ATOM 3683 OH2 TIP3 426 -5.810 -4.536 11.806 1.00 0.00 WAT1 ATOM 3684 H1 TIP3 426 -5.856 -3.586 11.958 1.00 0.00 WAT1 ATOM 3685 H2 TIP3 426 -6.397 -4.919 12.499 1.00 0.00 WAT1 ATOM 3686 OH2 TIP3 427 -3.196 -5.255 20.430 1.00 0.00 WAT1 ATOM 3687 H1 TIP3 427 -2.412 -5.541 19.915 1.00 0.00 WAT1 ATOM 3688 H2 TIP3 427 -3.233 -5.871 21.166 1.00 0.00 WAT1 ATOM 3689 OH2 TIP3 428 -3.827 -6.366 10.803 1.00 0.00 WAT1 ATOM 3690 H1 TIP3 428 -3.513 -6.774 11.637 1.00 0.00 WAT1 ATOM 3691 H2 TIP3 428 -4.272 -5.547 11.094 1.00 0.00 WAT1 ATOM 3692 OH2 TIP3 429 -7.336 -13.269 7.171 1.00 0.00 WAT1 ATOM 3693 H1 TIP3 429 -7.920 -13.851 7.689 1.00 0.00 WAT1 ATOM 3694 H2 TIP3 429 -7.117 -12.541 7.792 1.00 0.00 WAT1 ATOM 3695 OH2 TIP3 430 -4.242 -3.148 19.038 1.00 0.00 WAT1 ATOM 3696 H1 TIP3 430 -4.803 -2.680 19.661 1.00 0.00 WAT1 ATOM 3697 H2 TIP3 430 -3.872 -3.896 19.561 1.00 0.00 WAT1 ATOM 3698 OH2 TIP3 431 -17.706 -9.302 19.159 1.00 0.00 WAT1 ATOM 3699 H1 TIP3 431 -18.629 -9.069 19.294 1.00 0.00 WAT1 ATOM 3700 H2 TIP3 431 -17.575 -10.086 19.702 1.00 0.00 WAT1 ATOM 3701 OH2 TIP3 432 -7.913 -13.803 18.416 1.00 0.00 WAT1 ATOM 3702 H1 TIP3 432 -8.324 -14.641 18.715 1.00 0.00 WAT1 ATOM 3703 H2 TIP3 432 -8.399 -13.116 18.910 1.00 0.00 WAT1 ATOM 3704 OH2 TIP3 433 -4.550 -9.522 19.912 1.00 0.00 WAT1 ATOM 3705 H1 TIP3 433 -3.982 -10.302 19.778 1.00 0.00 WAT1 ATOM 3706 H2 TIP3 433 -4.089 -8.810 19.423 1.00 0.00 WAT1 ATOM 3707 OH2 TIP3 434 -7.802 -8.822 8.965 1.00 0.00 WAT1 ATOM 3708 H1 TIP3 434 -8.642 -8.424 8.719 1.00 0.00 WAT1 ATOM 3709 H2 TIP3 434 -7.308 -8.091 9.401 1.00 0.00 WAT1 ATOM 3710 OH2 TIP3 435 -6.083 -8.155 12.551 1.00 0.00 WAT1 ATOM 3711 H1 TIP3 435 -5.157 -7.911 12.777 1.00 0.00 WAT1 ATOM 3712 H2 TIP3 435 -6.248 -7.705 11.696 1.00 0.00 WAT1 ATOM 3713 OH2 TIP3 436 -7.218 -9.414 19.637 1.00 0.00 WAT1 ATOM 3714 H1 TIP3 436 -7.392 -8.720 18.958 1.00 0.00 WAT1 ATOM 3715 H2 TIP3 436 -6.240 -9.375 19.771 1.00 0.00 WAT1 ATOM 3716 OH2 TIP3 437 -15.471 -8.595 17.679 1.00 0.00 WAT1 ATOM 3717 H1 TIP3 437 -16.246 -8.897 18.199 1.00 0.00 WAT1 ATOM 3718 H2 TIP3 437 -15.700 -7.702 17.413 1.00 0.00 WAT1 ATOM 3719 OH2 TIP3 438 -10.564 -8.173 17.368 1.00 0.00 WAT1 ATOM 3720 H1 TIP3 438 -11.422 -8.578 17.108 1.00 0.00 WAT1 ATOM 3721 H2 TIP3 438 -10.420 -8.500 18.284 1.00 0.00 WAT1 ATOM 3722 OH2 TIP3 439 -11.067 -14.399 14.341 1.00 0.00 WAT1 ATOM 3723 H1 TIP3 439 -11.493 -13.753 14.936 1.00 0.00 WAT1 ATOM 3724 H2 TIP3 439 -10.185 -14.554 14.747 1.00 0.00 WAT1 ATOM 3725 OH2 TIP3 440 -9.957 -9.131 19.877 1.00 0.00 WAT1 ATOM 3726 H1 TIP3 440 -10.213 -8.722 20.710 1.00 0.00 WAT1 ATOM 3727 H2 TIP3 440 -8.994 -9.282 19.969 1.00 0.00 WAT1 ATOM 3728 OH2 TIP3 441 -3.021 -3.167 16.597 1.00 0.00 WAT1 ATOM 3729 H1 TIP3 441 -3.204 -2.274 16.296 1.00 0.00 WAT1 ATOM 3730 H2 TIP3 441 -3.463 -3.219 17.477 1.00 0.00 WAT1 ATOM 3731 OH2 TIP3 442 -5.144 -10.418 7.245 1.00 0.00 WAT1 ATOM 3732 H1 TIP3 442 -5.615 -9.579 7.299 1.00 0.00 WAT1 ATOM 3733 H2 TIP3 442 -5.546 -10.961 7.951 1.00 0.00 WAT1 ATOM 3734 OH2 TIP3 443 -6.465 -6.768 10.168 1.00 0.00 WAT1 ATOM 3735 H1 TIP3 443 -6.672 -5.878 10.506 1.00 0.00 WAT1 ATOM 3736 H2 TIP3 443 -5.495 -6.751 10.039 1.00 0.00 WAT1 ATOM 3737 OH2 TIP3 444 -1.696 -7.651 9.183 1.00 0.00 WAT1 ATOM 3738 H1 TIP3 444 -1.260 -7.332 10.005 1.00 0.00 WAT1 ATOM 3739 H2 TIP3 444 -2.602 -7.305 9.253 1.00 0.00 WAT1 ATOM 3740 OH2 TIP3 445 -3.955 -7.222 15.957 1.00 0.00 WAT1 ATOM 3741 H1 TIP3 445 -4.758 -6.793 16.277 1.00 0.00 WAT1 ATOM 3742 H2 TIP3 445 -3.586 -7.667 16.755 1.00 0.00 WAT1 ATOM 3743 OH2 TIP3 446 -6.751 -11.670 21.351 1.00 0.00 WAT1 ATOM 3744 H1 TIP3 446 -6.746 -10.799 20.910 1.00 0.00 WAT1 ATOM 3745 H2 TIP3 446 -5.800 -11.940 21.360 1.00 0.00 WAT1 ATOM 3746 OH2 TIP3 447 -6.316 -15.626 13.424 1.00 0.00 WAT1 ATOM 3747 H1 TIP3 447 -7.270 -15.474 13.364 1.00 0.00 WAT1 ATOM 3748 H2 TIP3 447 -6.104 -15.436 14.360 1.00 0.00 WAT1 ATOM 3749 OH2 TIP3 448 -5.938 -10.824 11.784 1.00 0.00 WAT1 ATOM 3750 H1 TIP3 448 -5.004 -10.895 11.996 1.00 0.00 WAT1 ATOM 3751 H2 TIP3 448 -6.185 -9.925 12.086 1.00 0.00 WAT1 ATOM 3752 OH2 TIP3 449 -9.205 -12.250 20.242 1.00 0.00 WAT1 ATOM 3753 H1 TIP3 449 -9.753 -12.754 20.864 1.00 0.00 WAT1 ATOM 3754 H2 TIP3 449 -8.388 -12.049 20.749 1.00 0.00 WAT1 ATOM 3755 OH2 TIP3 450 -2.829 -8.132 18.295 1.00 0.00 WAT1 ATOM 3756 H1 TIP3 450 -2.134 -7.495 18.570 1.00 0.00 WAT1 ATOM 3757 H2 TIP3 450 -2.400 -9.011 18.390 1.00 0.00 WAT1 ATOM 3758 OH2 TIP3 451 -1.076 -6.063 18.822 1.00 0.00 WAT1 ATOM 3759 H1 TIP3 451 -0.135 -5.807 18.919 1.00 0.00 WAT1 ATOM 3760 H2 TIP3 451 -1.303 -5.790 17.908 1.00 0.00 WAT1 ATOM 3761 OH2 TIP3 452 -12.932 -9.626 17.339 1.00 0.00 WAT1 ATOM 3762 H1 TIP3 452 -13.818 -9.199 17.368 1.00 0.00 WAT1 ATOM 3763 H2 TIP3 452 -12.999 -10.351 17.986 1.00 0.00 WAT1 ATOM 3764 OH2 TIP3 453 -13.032 -12.067 18.740 1.00 0.00 WAT1 ATOM 3765 H1 TIP3 453 -12.538 -12.811 19.134 1.00 0.00 WAT1 ATOM 3766 H2 TIP3 453 -13.819 -11.980 19.312 1.00 0.00 WAT1 ATOM 3767 OH2 TIP3 454 -3.463 -7.611 13.249 1.00 0.00 WAT1 ATOM 3768 H1 TIP3 454 -2.628 -8.126 13.294 1.00 0.00 WAT1 ATOM 3769 H2 TIP3 454 -3.658 -7.394 14.187 1.00 0.00 WAT1 ATOM 3770 OH2 TIP3 455 1.654 -7.270 4.720 1.00 0.00 WAT1 ATOM 3771 H1 TIP3 455 1.112 -7.114 5.521 1.00 0.00 WAT1 ATOM 3772 H2 TIP3 455 1.379 -6.581 4.109 1.00 0.00 WAT1 ATOM 3773 OH2 TIP3 456 -1.729 -5.558 16.201 1.00 0.00 WAT1 ATOM 3774 H1 TIP3 456 -2.057 -4.629 16.255 1.00 0.00 WAT1 ATOM 3775 H2 TIP3 456 -2.517 -6.071 15.939 1.00 0.00 WAT1 ATOM 3776 OH2 TIP3 457 -1.430 -10.357 22.511 1.00 0.00 WAT1 ATOM 3777 H1 TIP3 457 -1.149 -10.604 23.427 1.00 0.00 WAT1 ATOM 3778 H2 TIP3 457 -2.214 -9.813 22.645 1.00 0.00 WAT1 ATOM 3779 OH2 TIP3 458 -3.041 -11.088 5.606 1.00 0.00 WAT1 ATOM 3780 H1 TIP3 458 -3.825 -10.823 6.148 1.00 0.00 WAT1 ATOM 3781 H2 TIP3 458 -3.063 -12.064 5.620 1.00 0.00 WAT1 ATOM 3782 OH2 TIP3 459 1.755 -5.225 15.856 1.00 0.00 WAT1 ATOM 3783 H1 TIP3 459 1.457 -4.994 16.757 1.00 0.00 WAT1 ATOM 3784 H2 TIP3 459 2.582 -5.720 16.000 1.00 0.00 WAT1 ATOM 3785 OH2 TIP3 460 -0.954 -12.659 27.227 1.00 0.00 WAT1 ATOM 3786 H1 TIP3 460 -1.782 -13.160 27.018 1.00 0.00 WAT1 ATOM 3787 H2 TIP3 460 -1.162 -12.195 28.045 1.00 0.00 WAT1 ATOM 3788 OH2 TIP3 461 -4.642 -15.623 11.043 1.00 0.00 WAT1 ATOM 3789 H1 TIP3 461 -5.265 -15.473 11.779 1.00 0.00 WAT1 ATOM 3790 H2 TIP3 461 -5.175 -16.098 10.369 1.00 0.00 WAT1 ATOM 3791 OH2 TIP3 462 -4.141 -12.495 21.285 1.00 0.00 WAT1 ATOM 3792 H1 TIP3 462 -4.008 -12.585 20.306 1.00 0.00 WAT1 ATOM 3793 H2 TIP3 462 -3.269 -12.243 21.616 1.00 0.00 WAT1 ATOM 3794 OH2 TIP3 463 -12.416 -12.269 15.706 1.00 0.00 WAT1 ATOM 3795 H1 TIP3 463 -12.919 -12.281 14.857 1.00 0.00 WAT1 ATOM 3796 H2 TIP3 463 -13.092 -12.087 16.379 1.00 0.00 WAT1 ATOM 3797 OH2 TIP3 464 -6.905 -11.385 9.190 1.00 0.00 WAT1 ATOM 3798 H1 TIP3 464 -7.344 -10.507 9.094 1.00 0.00 WAT1 ATOM 3799 H2 TIP3 464 -6.579 -11.386 10.115 1.00 0.00 WAT1 ATOM 3800 OH2 TIP3 465 -5.398 -14.655 18.919 1.00 0.00 WAT1 ATOM 3801 H1 TIP3 465 -6.239 -14.158 18.811 1.00 0.00 WAT1 ATOM 3802 H2 TIP3 465 -4.696 -13.956 18.863 1.00 0.00 WAT1 ATOM 3803 OH2 TIP3 466 7.478 -53.887 -14.444 1.00 0.00 WAT1 ATOM 3804 H1 TIP3 466 6.500 -53.822 -14.471 1.00 0.00 WAT1 ATOM 3805 H2 TIP3 466 7.653 -54.852 -14.528 1.00 0.00 WAT1 ATOM 3806 OH2 TIP3 467 4.763 -53.810 -14.069 1.00 0.00 WAT1 ATOM 3807 H1 TIP3 467 4.909 -54.628 -13.548 1.00 0.00 WAT1 ATOM 3808 H2 TIP3 467 4.035 -53.347 -13.589 1.00 0.00 WAT1 ATOM 3809 OH2 TIP3 468 5.948 -49.473 -16.492 1.00 0.00 WAT1 ATOM 3810 H1 TIP3 468 6.817 -49.891 -16.411 1.00 0.00 WAT1 ATOM 3811 H2 TIP3 468 5.316 -50.207 -16.346 1.00 0.00 WAT1 ATOM 3812 OH2 TIP3 469 14.157 -49.681 -13.858 1.00 0.00 WAT1 ATOM 3813 H1 TIP3 469 14.875 -50.354 -13.786 1.00 0.00 WAT1 ATOM 3814 H2 TIP3 469 13.983 -49.422 -12.920 1.00 0.00 WAT1 ATOM 3815 OH2 TIP3 470 12.657 -53.492 -14.368 1.00 0.00 WAT1 ATOM 3816 H1 TIP3 470 11.963 -52.898 -14.728 1.00 0.00 WAT1 ATOM 3817 H2 TIP3 470 13.441 -53.275 -14.882 1.00 0.00 WAT1 ATOM 3818 OH2 TIP3 471 8.255 -51.358 -15.023 1.00 0.00 WAT1 ATOM 3819 H1 TIP3 471 7.601 -50.975 -14.407 1.00 0.00 WAT1 ATOM 3820 H2 TIP3 471 8.085 -52.326 -14.978 1.00 0.00 WAT1 ATOM 3821 OH2 TIP3 472 10.988 -51.488 -15.172 1.00 0.00 WAT1 ATOM 3822 H1 TIP3 472 11.250 -50.605 -15.501 1.00 0.00 WAT1 ATOM 3823 H2 TIP3 472 10.003 -51.467 -15.188 1.00 0.00 WAT1 ATOM 3824 OH2 TIP3 473 1.903 -53.032 -10.300 1.00 0.00 WAT1 ATOM 3825 H1 TIP3 473 2.031 -53.640 -9.542 1.00 0.00 WAT1 ATOM 3826 H2 TIP3 473 0.939 -52.813 -10.273 1.00 0.00 WAT1 ATOM 3827 OH2 TIP3 474 7.975 -53.251 -11.810 1.00 0.00 WAT1 ATOM 3828 H1 TIP3 474 7.094 -53.487 -11.483 1.00 0.00 WAT1 ATOM 3829 H2 TIP3 474 7.921 -53.408 -12.778 1.00 0.00 WAT1 ATOM 3830 OH2 TIP3 475 7.296 -56.590 -14.165 1.00 0.00 WAT1 ATOM 3831 H1 TIP3 475 6.661 -56.343 -13.462 1.00 0.00 WAT1 ATOM 3832 H2 TIP3 475 7.230 -57.545 -14.219 1.00 0.00 WAT1 ATOM 3833 OH2 TIP3 476 12.338 -55.365 -12.421 1.00 0.00 WAT1 ATOM 3834 H1 TIP3 476 12.515 -54.590 -13.004 1.00 0.00 WAT1 ATOM 3835 H2 TIP3 476 12.143 -56.078 -13.036 1.00 0.00 WAT1 ATOM 3836 OH2 TIP3 477 17.006 -54.219 -8.591 1.00 0.00 WAT1 ATOM 3837 H1 TIP3 477 16.388 -53.996 -9.317 1.00 0.00 WAT1 ATOM 3838 H2 TIP3 477 17.754 -53.593 -8.722 1.00 0.00 WAT1 ATOM 3839 OH2 TIP3 478 11.504 -50.942 -12.491 1.00 0.00 WAT1 ATOM 3840 H1 TIP3 478 11.541 -51.230 -13.424 1.00 0.00 WAT1 ATOM 3841 H2 TIP3 478 12.390 -50.564 -12.320 1.00 0.00 WAT1 ATOM 3842 OH2 TIP3 479 11.958 -48.935 -15.430 1.00 0.00 WAT1 ATOM 3843 H1 TIP3 479 11.510 -48.459 -14.694 1.00 0.00 WAT1 ATOM 3844 H2 TIP3 479 12.798 -49.244 -15.031 1.00 0.00 WAT1 ATOM 3845 OH2 TIP3 480 17.719 -48.882 -14.416 1.00 0.00 WAT1 ATOM 3846 H1 TIP3 480 17.057 -48.664 -15.110 1.00 0.00 WAT1 ATOM 3847 H2 TIP3 480 18.248 -48.069 -14.328 1.00 0.00 WAT1 ATOM 3848 OH2 TIP3 481 16.466 -51.146 -13.501 1.00 0.00 WAT1 ATOM 3849 H1 TIP3 481 16.974 -50.477 -14.003 1.00 0.00 WAT1 ATOM 3850 H2 TIP3 481 17.121 -51.516 -12.871 1.00 0.00 WAT1 ATOM 3851 OH2 TIP3 482 12.115 -58.828 -3.291 1.00 0.00 WAT1 ATOM 3852 H1 TIP3 482 11.611 -59.073 -2.486 1.00 0.00 WAT1 ATOM 3853 H2 TIP3 482 11.911 -59.541 -3.923 1.00 0.00 WAT1 ATOM 3854 OH2 TIP3 483 10.660 -59.658 -1.115 1.00 0.00 WAT1 ATOM 3855 H1 TIP3 483 10.102 -59.815 -0.315 1.00 0.00 WAT1 ATOM 3856 H2 TIP3 483 11.402 -60.290 -1.016 1.00 0.00 WAT1 ATOM 3857 OH2 TIP3 484 0.299 -56.548 -0.833 1.00 0.00 WAT1 ATOM 3858 H1 TIP3 484 0.373 -57.116 -1.629 1.00 0.00 WAT1 ATOM 3859 H2 TIP3 484 1.239 -56.291 -0.631 1.00 0.00 WAT1 ATOM 3860 OH2 TIP3 485 0.206 -58.152 -3.026 1.00 0.00 WAT1 ATOM 3861 H1 TIP3 485 -0.029 -58.469 -3.903 1.00 0.00 WAT1 ATOM 3862 H2 TIP3 485 1.041 -58.634 -2.813 1.00 0.00 WAT1 ATOM 3863 OH2 TIP3 486 8.680 -63.349 1.107 1.00 0.00 WAT1 ATOM 3864 H1 TIP3 486 9.287 -63.204 1.865 1.00 0.00 WAT1 ATOM 3865 H2 TIP3 486 9.263 -63.700 0.403 1.00 0.00 WAT1 ATOM 3866 OH2 TIP3 487 2.535 -59.405 -2.296 1.00 0.00 WAT1 ATOM 3867 H1 TIP3 487 3.234 -60.023 -2.609 1.00 0.00 WAT1 ATOM 3868 H2 TIP3 487 2.625 -59.419 -1.317 1.00 0.00 WAT1 ATOM 3869 OH2 TIP3 488 8.897 -59.474 -3.165 1.00 0.00 WAT1 ATOM 3870 H1 TIP3 488 8.005 -59.246 -2.809 1.00 0.00 WAT1 ATOM 3871 H2 TIP3 488 9.450 -59.596 -2.361 1.00 0.00 WAT1 ATOM 3872 OH2 TIP3 489 14.631 -62.505 3.030 1.00 0.00 WAT1 ATOM 3873 H1 TIP3 489 14.098 -61.977 3.657 1.00 0.00 WAT1 ATOM 3874 H2 TIP3 489 13.969 -63.060 2.571 1.00 0.00 WAT1 ATOM 3875 OH2 TIP3 490 11.967 -55.641 -5.882 1.00 0.00 WAT1 ATOM 3876 H1 TIP3 490 12.047 -54.764 -6.322 1.00 0.00 WAT1 ATOM 3877 H2 TIP3 490 12.079 -56.277 -6.608 1.00 0.00 WAT1 ATOM 3878 OH2 TIP3 491 10.920 -58.779 -6.351 1.00 0.00 WAT1 ATOM 3879 H1 TIP3 491 10.253 -58.201 -5.930 1.00 0.00 WAT1 ATOM 3880 H2 TIP3 491 11.326 -58.219 -7.030 1.00 0.00 WAT1 ATOM 3881 OH2 TIP3 492 14.889 -56.109 -7.606 1.00 0.00 WAT1 ATOM 3882 H1 TIP3 492 15.095 -56.322 -6.675 1.00 0.00 WAT1 ATOM 3883 H2 TIP3 492 15.582 -55.474 -7.864 1.00 0.00 WAT1 ATOM 3884 OH2 TIP3 493 14.608 -58.987 3.218 1.00 0.00 WAT1 ATOM 3885 H1 TIP3 493 13.776 -58.499 3.452 1.00 0.00 WAT1 ATOM 3886 H2 TIP3 493 14.329 -59.599 2.509 1.00 0.00 WAT1 ATOM 3887 OH2 TIP3 494 8.847 -57.480 -5.004 1.00 0.00 WAT1 ATOM 3888 H1 TIP3 494 8.942 -58.272 -4.423 1.00 0.00 WAT1 ATOM 3889 H2 TIP3 494 8.324 -56.866 -4.475 1.00 0.00 WAT1 ATOM 3890 OH2 TIP3 495 4.233 -57.187 -2.293 1.00 0.00 WAT1 ATOM 3891 H1 TIP3 495 3.807 -56.624 -1.605 1.00 0.00 WAT1 ATOM 3892 H2 TIP3 495 3.579 -57.888 -2.459 1.00 0.00 WAT1 ATOM 3893 OH2 TIP3 496 12.517 -57.272 -8.179 1.00 0.00 WAT1 ATOM 3894 H1 TIP3 496 13.389 -56.819 -8.040 1.00 0.00 WAT1 ATOM 3895 H2 TIP3 496 12.757 -58.135 -8.541 1.00 0.00 WAT1 ATOM 3896 OH2 TIP3 497 15.710 -53.087 -10.750 1.00 0.00 WAT1 ATOM 3897 H1 TIP3 497 16.039 -53.225 -11.649 1.00 0.00 WAT1 ATOM 3898 H2 TIP3 497 15.978 -52.161 -10.537 1.00 0.00 WAT1 ATOM 3899 OH2 TIP3 498 -0.729 -52.243 -10.056 1.00 0.00 WAT1 ATOM 3900 H1 TIP3 498 -1.267 -51.934 -9.307 1.00 0.00 WAT1 ATOM 3901 H2 TIP3 498 -1.151 -51.830 -10.839 1.00 0.00 WAT1 ATOM 3902 OH2 TIP3 499 17.886 -61.613 7.990 1.00 0.00 WAT1 ATOM 3903 H1 TIP3 499 18.395 -61.847 8.773 1.00 0.00 WAT1 ATOM 3904 H2 TIP3 499 16.967 -61.905 8.204 1.00 0.00 WAT1 ATOM 3905 OH2 TIP3 500 14.978 -60.092 5.716 1.00 0.00 WAT1 ATOM 3906 H1 TIP3 500 14.276 -60.702 5.996 1.00 0.00 WAT1 ATOM 3907 H2 TIP3 500 14.739 -59.858 4.796 1.00 0.00 WAT1 ATOM 3908 OH2 TIP3 501 5.690 -59.755 0.152 1.00 0.00 WAT1 ATOM 3909 H1 TIP3 501 4.711 -59.706 0.198 1.00 0.00 WAT1 ATOM 3910 H2 TIP3 501 5.882 -60.722 0.118 1.00 0.00 WAT1 ATOM 3911 OH2 TIP3 502 10.734 -60.928 -4.616 1.00 0.00 WAT1 ATOM 3912 H1 TIP3 502 9.948 -60.578 -4.149 1.00 0.00 WAT1 ATOM 3913 H2 TIP3 502 10.808 -60.363 -5.413 1.00 0.00 WAT1 ATOM 3914 OH2 TIP3 503 11.314 -62.817 -2.644 1.00 0.00 WAT1 ATOM 3915 H1 TIP3 503 11.098 -62.339 -3.470 1.00 0.00 WAT1 ATOM 3916 H2 TIP3 503 11.952 -62.229 -2.188 1.00 0.00 WAT1 ATOM 3917 OH2 TIP3 504 2.964 -59.287 0.446 1.00 0.00 WAT1 ATOM 3918 H1 TIP3 504 2.578 -59.736 1.206 1.00 0.00 WAT1 ATOM 3919 H2 TIP3 504 3.033 -58.340 0.737 1.00 0.00 WAT1 ATOM 3920 OH2 TIP3 505 6.516 -58.650 -2.209 1.00 0.00 WAT1 ATOM 3921 H1 TIP3 505 6.355 -58.950 -1.286 1.00 0.00 WAT1 ATOM 3922 H2 TIP3 505 5.825 -57.964 -2.359 1.00 0.00 WAT1 ATOM 3923 OH2 TIP3 506 10.778 -64.243 -0.432 1.00 0.00 WAT1 ATOM 3924 H1 TIP3 506 10.920 -63.690 -1.243 1.00 0.00 WAT1 ATOM 3925 H2 TIP3 506 10.854 -65.148 -0.751 1.00 0.00 WAT1 ATOM 3926 OH2 TIP3 507 6.283 -62.424 0.069 1.00 0.00 WAT1 ATOM 3927 H1 TIP3 507 7.208 -62.614 0.335 1.00 0.00 WAT1 ATOM 3928 H2 TIP3 507 5.792 -63.194 0.364 1.00 0.00 WAT1 ATOM 3929 OH2 TIP3 508 2.522 -56.784 -10.067 1.00 0.00 WAT1 ATOM 3930 H1 TIP3 508 1.779 -56.536 -10.626 1.00 0.00 WAT1 ATOM 3931 H2 TIP3 508 2.522 -56.111 -9.356 1.00 0.00 WAT1 ATOM 3932 OH2 TIP3 509 3.080 -53.408 -2.965 1.00 0.00 WAT1 ATOM 3933 H1 TIP3 509 2.366 -52.730 -2.947 1.00 0.00 WAT1 ATOM 3934 H2 TIP3 509 2.877 -53.987 -2.218 1.00 0.00 WAT1 ATOM 3935 OH2 TIP3 510 4.787 -58.000 -10.919 1.00 0.00 WAT1 ATOM 3936 H1 TIP3 510 3.954 -57.609 -10.565 1.00 0.00 WAT1 ATOM 3937 H2 TIP3 510 4.676 -58.945 -10.794 1.00 0.00 WAT1 ATOM 3938 OH2 TIP3 511 0.006 -58.096 4.445 1.00 0.00 WAT1 ATOM 3939 H1 TIP3 511 0.897 -57.712 4.263 1.00 0.00 WAT1 ATOM 3940 H2 TIP3 511 -0.436 -58.085 3.576 1.00 0.00 WAT1 ATOM 3941 OH2 TIP3 512 13.358 -52.253 -3.290 1.00 0.00 WAT1 ATOM 3942 H1 TIP3 512 13.337 -51.491 -3.887 1.00 0.00 WAT1 ATOM 3943 H2 TIP3 512 13.943 -52.894 -3.739 1.00 0.00 WAT1 ATOM 3944 OH2 TIP3 513 5.483 -54.653 -7.878 1.00 0.00 WAT1 ATOM 3945 H1 TIP3 513 5.167 -54.304 -7.023 1.00 0.00 WAT1 ATOM 3946 H2 TIP3 513 6.154 -55.332 -7.628 1.00 0.00 WAT1 ATOM 3947 OH2 TIP3 514 7.282 -56.627 -7.159 1.00 0.00 WAT1 ATOM 3948 H1 TIP3 514 7.932 -56.878 -6.473 1.00 0.00 WAT1 ATOM 3949 H2 TIP3 514 7.072 -57.457 -7.599 1.00 0.00 WAT1 ATOM 3950 OH2 TIP3 515 4.712 -49.169 -8.223 1.00 0.00 WAT1 ATOM 3951 H1 TIP3 515 4.271 -49.959 -8.581 1.00 0.00 WAT1 ATOM 3952 H2 TIP3 515 4.099 -48.444 -8.430 1.00 0.00 WAT1 ATOM 3953 OH2 TIP3 516 12.318 -53.610 -7.657 1.00 0.00 WAT1 ATOM 3954 H1 TIP3 516 13.040 -53.023 -7.920 1.00 0.00 WAT1 ATOM 3955 H2 TIP3 516 12.161 -54.164 -8.451 1.00 0.00 WAT1 ATOM 3956 OH2 TIP3 517 18.503 -51.922 -11.812 1.00 0.00 WAT1 ATOM 3957 H1 TIP3 517 19.434 -51.743 -11.986 1.00 0.00 WAT1 ATOM 3958 H2 TIP3 517 18.469 -52.085 -10.846 1.00 0.00 WAT1 ATOM 3959 OH2 TIP3 518 15.233 -54.150 -4.344 1.00 0.00 WAT1 ATOM 3960 H1 TIP3 518 15.705 -54.670 -5.020 1.00 0.00 WAT1 ATOM 3961 H2 TIP3 518 15.947 -53.814 -3.767 1.00 0.00 WAT1 ATOM 3962 OH2 TIP3 519 5.403 -50.940 -10.956 1.00 0.00 WAT1 ATOM 3963 H1 TIP3 519 5.831 -50.909 -11.835 1.00 0.00 WAT1 ATOM 3964 H2 TIP3 519 5.428 -51.879 -10.712 1.00 0.00 WAT1 ATOM 3965 OH2 TIP3 520 5.110 -53.686 -10.427 1.00 0.00 WAT1 ATOM 3966 H1 TIP3 520 4.165 -53.453 -10.382 1.00 0.00 WAT1 ATOM 3967 H2 TIP3 520 5.328 -53.990 -9.514 1.00 0.00 WAT1 ATOM 3968 OH2 TIP3 521 12.298 -63.227 1.713 1.00 0.00 WAT1 ATOM 3969 H1 TIP3 521 11.526 -63.168 2.311 1.00 0.00 WAT1 ATOM 3970 H2 TIP3 521 11.928 -63.595 0.885 1.00 0.00 WAT1 ATOM 3971 OH2 TIP3 522 5.745 -58.107 2.371 1.00 0.00 WAT1 ATOM 3972 H1 TIP3 522 4.939 -57.573 2.180 1.00 0.00 WAT1 ATOM 3973 H2 TIP3 522 5.950 -58.544 1.518 1.00 0.00 WAT1 ATOM 3974 OH2 TIP3 523 15.980 -58.423 -2.714 1.00 0.00 WAT1 ATOM 3975 H1 TIP3 523 15.728 -59.356 -2.536 1.00 0.00 WAT1 ATOM 3976 H2 TIP3 523 16.928 -58.395 -2.531 1.00 0.00 WAT1 ATOM 3977 OH2 TIP3 524 4.861 -60.775 -2.910 1.00 0.00 WAT1 ATOM 3978 H1 TIP3 524 5.383 -61.569 -2.761 1.00 0.00 WAT1 ATOM 3979 H2 TIP3 524 5.492 -60.042 -2.760 1.00 0.00 WAT1 ATOM 3980 OH2 TIP3 525 2.757 -54.690 -8.248 1.00 0.00 WAT1 ATOM 3981 H1 TIP3 525 3.723 -54.845 -8.263 1.00 0.00 WAT1 ATOM 3982 H2 TIP3 525 2.598 -54.308 -7.361 1.00 0.00 WAT1 ATOM 3983 OH2 TIP3 526 13.151 -52.229 -10.238 1.00 0.00 WAT1 ATOM 3984 H1 TIP3 526 13.984 -52.719 -10.403 1.00 0.00 WAT1 ATOM 3985 H2 TIP3 526 13.358 -51.310 -10.514 1.00 0.00 WAT1 ATOM 3986 OH2 TIP3 527 5.489 -55.750 -12.252 1.00 0.00 WAT1 ATOM 3987 H1 TIP3 527 5.394 -55.070 -11.555 1.00 0.00 WAT1 ATOM 3988 H2 TIP3 527 5.264 -56.595 -11.794 1.00 0.00 WAT1 ATOM 3989 OH2 TIP3 528 11.640 -55.171 -9.818 1.00 0.00 WAT1 ATOM 3990 H1 TIP3 528 11.807 -56.027 -9.375 1.00 0.00 WAT1 ATOM 3991 H2 TIP3 528 11.969 -55.308 -10.740 1.00 0.00 WAT1 ATOM 3992 OH2 TIP3 529 2.496 -57.117 4.177 1.00 0.00 WAT1 ATOM 3993 H1 TIP3 529 3.282 -56.871 4.725 1.00 0.00 WAT1 ATOM 3994 H2 TIP3 529 2.813 -57.015 3.246 1.00 0.00 WAT1 ATOM 3995 OH2 TIP3 530 7.327 -57.755 4.599 1.00 0.00 WAT1 ATOM 3996 H1 TIP3 530 6.796 -57.840 3.774 1.00 0.00 WAT1 ATOM 3997 H2 TIP3 530 6.946 -56.956 5.046 1.00 0.00 WAT1 ATOM 3998 OH2 TIP3 531 4.977 -60.502 3.480 1.00 0.00 WAT1 ATOM 3999 H1 TIP3 531 5.143 -59.594 3.154 1.00 0.00 WAT1 ATOM 4000 H2 TIP3 531 5.776 -61.003 3.197 1.00 0.00 WAT1 ATOM 4001 OH2 TIP3 532 12.553 -61.255 4.517 1.00 0.00 WAT1 ATOM 4002 H1 TIP3 532 12.014 -61.481 5.294 1.00 0.00 WAT1 ATOM 4003 H2 TIP3 532 12.078 -60.494 4.108 1.00 0.00 WAT1 ATOM 4004 OH2 TIP3 533 5.338 -60.213 6.931 1.00 0.00 WAT1 ATOM 4005 H1 TIP3 533 4.442 -60.146 7.336 1.00 0.00 WAT1 ATOM 4006 H2 TIP3 533 5.173 -60.124 5.983 1.00 0.00 WAT1 ATOM 4007 OH2 TIP3 534 7.388 -61.520 2.840 1.00 0.00 WAT1 ATOM 4008 H1 TIP3 534 7.847 -62.254 2.394 1.00 0.00 WAT1 ATOM 4009 H2 TIP3 534 7.998 -61.253 3.558 1.00 0.00 WAT1 ATOM 4010 OH2 TIP3 535 9.202 -60.172 1.090 1.00 0.00 WAT1 ATOM 4011 H1 TIP3 535 9.752 -59.965 1.874 1.00 0.00 WAT1 ATOM 4012 H2 TIP3 535 8.339 -60.418 1.461 1.00 0.00 WAT1 ATOM 4013 OH2 TIP3 536 1.290 -51.359 -3.150 1.00 0.00 WAT1 ATOM 4014 H1 TIP3 536 0.381 -51.151 -3.378 1.00 0.00 WAT1 ATOM 4015 H2 TIP3 536 1.763 -50.502 -3.247 1.00 0.00 WAT1 ATOM 4016 OH2 TIP3 537 3.628 -53.677 -5.755 1.00 0.00 WAT1 ATOM 4017 H1 TIP3 537 3.318 -54.017 -4.896 1.00 0.00 WAT1 ATOM 4018 H2 TIP3 537 4.068 -52.828 -5.524 1.00 0.00 WAT1 ATOM 4019 OH2 TIP3 538 18.619 -55.264 -3.352 1.00 0.00 WAT1 ATOM 4020 H1 TIP3 538 18.495 -55.227 -4.316 1.00 0.00 WAT1 ATOM 4021 H2 TIP3 538 18.144 -54.482 -3.024 1.00 0.00 WAT1 ATOM 4022 OH2 TIP3 539 17.787 -57.635 -6.662 1.00 0.00 WAT1 ATOM 4023 H1 TIP3 539 18.500 -58.271 -6.397 1.00 0.00 WAT1 ATOM 4024 H2 TIP3 539 17.667 -57.800 -7.604 1.00 0.00 WAT1 ATOM 4025 OH2 TIP3 540 15.566 -57.067 -5.047 1.00 0.00 WAT1 ATOM 4026 H1 TIP3 540 15.700 -57.558 -4.204 1.00 0.00 WAT1 ATOM 4027 H2 TIP3 540 16.363 -57.287 -5.577 1.00 0.00 WAT1 ATOM 4028 OH2 TIP3 541 -2.328 -56.288 -2.811 1.00 0.00 WAT1 ATOM 4029 H1 TIP3 541 -1.772 -55.522 -2.988 1.00 0.00 WAT1 ATOM 4030 H2 TIP3 541 -1.698 -57.002 -2.628 1.00 0.00 WAT1 ATOM 4031 OH2 TIP3 542 17.053 -58.184 4.280 1.00 0.00 WAT1 ATOM 4032 H1 TIP3 542 16.195 -58.500 3.910 1.00 0.00 WAT1 ATOM 4033 H2 TIP3 542 17.094 -58.591 5.174 1.00 0.00 WAT1 ATOM 4034 OH2 TIP3 543 17.320 -62.647 3.741 1.00 0.00 WAT1 ATOM 4035 H1 TIP3 543 17.673 -62.474 2.852 1.00 0.00 WAT1 ATOM 4036 H2 TIP3 543 16.349 -62.669 3.613 1.00 0.00 WAT1 ATOM 4037 OH2 TIP3 544 12.974 -61.153 -1.228 1.00 0.00 WAT1 ATOM 4038 H1 TIP3 544 13.148 -60.958 -0.280 1.00 0.00 WAT1 ATOM 4039 H2 TIP3 544 13.850 -61.061 -1.654 1.00 0.00 WAT1 ATOM 4040 OH2 TIP3 545 12.963 -60.556 1.460 1.00 0.00 WAT1 ATOM 4041 H1 TIP3 545 12.835 -61.512 1.638 1.00 0.00 WAT1 ATOM 4042 H2 TIP3 545 12.240 -60.124 1.953 1.00 0.00 WAT1 ATOM 4043 OH2 TIP3 546 2.848 -61.646 4.614 1.00 0.00 WAT1 ATOM 4044 H1 TIP3 546 3.297 -62.385 5.032 1.00 0.00 WAT1 ATOM 4045 H2 TIP3 546 3.570 -61.159 4.148 1.00 0.00 WAT1 ATOM 4046 OH2 TIP3 547 -2.093 -50.748 -11.980 1.00 0.00 WAT1 ATOM 4047 H1 TIP3 547 -2.956 -50.705 -12.409 1.00 0.00 WAT1 ATOM 4048 H2 TIP3 547 -1.537 -50.113 -12.498 1.00 0.00 WAT1 ATOM 4049 OH2 TIP3 548 16.219 -50.457 -10.271 1.00 0.00 WAT1 ATOM 4050 H1 TIP3 548 15.350 -50.106 -10.566 1.00 0.00 WAT1 ATOM 4051 H2 TIP3 548 16.869 -49.847 -10.671 1.00 0.00 WAT1 ATOM 4052 OH2 TIP3 549 2.868 -52.364 -12.809 1.00 0.00 WAT1 ATOM 4053 H1 TIP3 549 2.938 -51.400 -12.648 1.00 0.00 WAT1 ATOM 4054 H2 TIP3 549 2.427 -52.706 -12.004 1.00 0.00 WAT1 ATOM 4055 OH2 TIP3 550 10.862 -56.903 9.107 1.00 0.00 WAT1 ATOM 4056 H1 TIP3 550 10.331 -56.236 9.581 1.00 0.00 WAT1 ATOM 4057 H2 TIP3 550 10.375 -57.046 8.278 1.00 0.00 WAT1 ATOM 4058 OH2 TIP3 551 13.626 -52.775 14.056 1.00 0.00 WAT1 ATOM 4059 H1 TIP3 551 13.431 -52.749 13.109 1.00 0.00 WAT1 ATOM 4060 H2 TIP3 551 14.071 -51.911 14.234 1.00 0.00 WAT1 ATOM 4061 OH2 TIP3 552 2.236 -54.386 14.441 1.00 0.00 WAT1 ATOM 4062 H1 TIP3 552 1.480 -53.780 14.618 1.00 0.00 WAT1 ATOM 4063 H2 TIP3 552 2.394 -54.825 15.307 1.00 0.00 WAT1 ATOM 4064 OH2 TIP3 553 -1.109 -56.671 12.107 1.00 0.00 WAT1 ATOM 4065 H1 TIP3 553 -0.767 -55.770 12.314 1.00 0.00 WAT1 ATOM 4066 H2 TIP3 553 -0.335 -57.243 12.207 1.00 0.00 WAT1 ATOM 4067 OH2 TIP3 554 9.726 -50.640 15.591 1.00 0.00 WAT1 ATOM 4068 H1 TIP3 554 10.234 -49.957 15.120 1.00 0.00 WAT1 ATOM 4069 H2 TIP3 554 9.488 -51.291 14.891 1.00 0.00 WAT1 ATOM 4070 OH2 TIP3 555 11.278 -55.251 14.337 1.00 0.00 WAT1 ATOM 4071 H1 TIP3 555 11.618 -55.427 15.239 1.00 0.00 WAT1 ATOM 4072 H2 TIP3 555 11.073 -54.304 14.344 1.00 0.00 WAT1 ATOM 4073 OH2 TIP3 556 6.726 -56.615 10.366 1.00 0.00 WAT1 ATOM 4074 H1 TIP3 556 6.746 -57.140 9.535 1.00 0.00 WAT1 ATOM 4075 H2 TIP3 556 7.631 -56.244 10.434 1.00 0.00 WAT1 ATOM 4076 OH2 TIP3 557 8.351 -52.324 10.995 1.00 0.00 WAT1 ATOM 4077 H1 TIP3 557 7.744 -52.026 10.283 1.00 0.00 WAT1 ATOM 4078 H2 TIP3 557 8.841 -51.504 11.244 1.00 0.00 WAT1 ATOM 4079 OH2 TIP3 558 8.492 -55.428 14.407 1.00 0.00 WAT1 ATOM 4080 H1 TIP3 558 8.574 -55.695 15.338 1.00 0.00 WAT1 ATOM 4081 H2 TIP3 558 9.391 -55.552 14.047 1.00 0.00 WAT1 ATOM 4082 OH2 TIP3 559 5.452 -54.917 16.377 1.00 0.00 WAT1 ATOM 4083 H1 TIP3 559 6.232 -54.624 16.874 1.00 0.00 WAT1 ATOM 4084 H2 TIP3 559 5.018 -55.549 16.973 1.00 0.00 WAT1 ATOM 4085 OH2 TIP3 560 -3.794 -50.414 14.601 1.00 0.00 WAT1 ATOM 4086 H1 TIP3 560 -2.842 -50.682 14.568 1.00 0.00 WAT1 ATOM 4087 H2 TIP3 560 -4.239 -51.173 15.020 1.00 0.00 WAT1 ATOM 4088 OH2 TIP3 561 12.528 -52.428 16.563 1.00 0.00 WAT1 ATOM 4089 H1 TIP3 561 11.614 -52.808 16.575 1.00 0.00 WAT1 ATOM 4090 H2 TIP3 561 12.843 -52.595 15.650 1.00 0.00 WAT1 ATOM 4091 OH2 TIP3 562 12.006 -49.108 10.817 1.00 0.00 WAT1 ATOM 4092 H1 TIP3 562 12.287 -48.746 9.946 1.00 0.00 WAT1 ATOM 4093 H2 TIP3 562 12.489 -48.564 11.468 1.00 0.00 WAT1 ATOM 4094 OH2 TIP3 563 13.405 -56.907 10.153 1.00 0.00 WAT1 ATOM 4095 H1 TIP3 563 12.494 -56.964 9.787 1.00 0.00 WAT1 ATOM 4096 H2 TIP3 563 13.271 -56.868 11.125 1.00 0.00 WAT1 ATOM 4097 OH2 TIP3 564 12.310 -55.846 16.893 1.00 0.00 WAT1 ATOM 4098 H1 TIP3 564 13.154 -55.768 16.392 1.00 0.00 WAT1 ATOM 4099 H2 TIP3 564 12.480 -55.347 17.721 1.00 0.00 WAT1 ATOM 4100 OH2 TIP3 565 10.683 -61.475 6.673 1.00 0.00 WAT1 ATOM 4101 H1 TIP3 565 9.714 -61.535 6.818 1.00 0.00 WAT1 ATOM 4102 H2 TIP3 565 10.856 -60.508 6.605 1.00 0.00 WAT1 ATOM 4103 OH2 TIP3 566 9.292 -57.347 6.818 1.00 0.00 WAT1 ATOM 4104 H1 TIP3 566 8.491 -57.527 7.359 1.00 0.00 WAT1 ATOM 4105 H2 TIP3 566 8.966 -57.389 5.900 1.00 0.00 WAT1 ATOM 4106 OH2 TIP3 567 12.907 -56.875 12.865 1.00 0.00 WAT1 ATOM 4107 H1 TIP3 567 12.283 -56.218 13.242 1.00 0.00 WAT1 ATOM 4108 H2 TIP3 567 12.789 -57.654 13.415 1.00 0.00 WAT1 ATOM 4109 OH2 TIP3 568 5.627 -54.226 9.603 1.00 0.00 WAT1 ATOM 4110 H1 TIP3 568 6.325 -53.556 9.541 1.00 0.00 WAT1 ATOM 4111 H2 TIP3 568 6.106 -55.055 9.817 1.00 0.00 WAT1 ATOM 4112 OH2 TIP3 569 8.901 -52.628 13.804 1.00 0.00 WAT1 ATOM 4113 H1 TIP3 569 8.697 -52.595 12.850 1.00 0.00 WAT1 ATOM 4114 H2 TIP3 569 8.587 -53.506 14.085 1.00 0.00 WAT1 ATOM 4115 OH2 TIP3 570 5.830 -55.179 13.695 1.00 0.00 WAT1 ATOM 4116 H1 TIP3 570 6.784 -55.391 13.758 1.00 0.00 WAT1 ATOM 4117 H2 TIP3 570 5.546 -55.094 14.634 1.00 0.00 WAT1 ATOM 4118 OH2 TIP3 571 10.121 -53.648 16.674 1.00 0.00 WAT1 ATOM 4119 H1 TIP3 571 9.421 -53.062 17.031 1.00 0.00 WAT1 ATOM 4120 H2 TIP3 571 9.820 -54.545 16.903 1.00 0.00 WAT1 ATOM 4121 OH2 TIP3 572 4.745 -54.922 20.621 1.00 0.00 WAT1 ATOM 4122 H1 TIP3 572 3.790 -54.940 20.824 1.00 0.00 WAT1 ATOM 4123 H2 TIP3 572 4.954 -53.981 20.551 1.00 0.00 WAT1 ATOM 4124 OH2 TIP3 573 13.151 -61.009 7.733 1.00 0.00 WAT1 ATOM 4125 H1 TIP3 573 12.312 -61.487 7.603 1.00 0.00 WAT1 ATOM 4126 H2 TIP3 573 12.928 -60.084 7.521 1.00 0.00 WAT1 ATOM 4127 OH2 TIP3 574 9.444 -49.871 11.523 1.00 0.00 WAT1 ATOM 4128 H1 TIP3 574 10.381 -49.680 11.305 1.00 0.00 WAT1 ATOM 4129 H2 TIP3 574 9.080 -49.000 11.790 1.00 0.00 WAT1 ATOM 4130 OH2 TIP3 575 4.066 -49.044 21.505 1.00 0.00 WAT1 ATOM 4131 H1 TIP3 575 4.675 -49.763 21.251 1.00 0.00 WAT1 ATOM 4132 H2 TIP3 575 3.476 -48.945 20.722 1.00 0.00 WAT1 ATOM 4133 OH2 TIP3 576 -0.413 -54.108 12.577 1.00 0.00 WAT1 ATOM 4134 H1 TIP3 576 -0.291 -53.713 13.465 1.00 0.00 WAT1 ATOM 4135 H2 TIP3 576 -0.888 -53.433 12.081 1.00 0.00 WAT1 ATOM 4136 OH2 TIP3 577 1.190 -57.337 18.859 1.00 0.00 WAT1 ATOM 4137 H1 TIP3 577 0.752 -58.153 18.596 1.00 0.00 WAT1 ATOM 4138 H2 TIP3 577 0.554 -56.909 19.470 1.00 0.00 WAT1 ATOM 4139 OH2 TIP3 578 17.097 -51.606 21.344 1.00 0.00 WAT1 ATOM 4140 H1 TIP3 578 16.315 -52.186 21.266 1.00 0.00 WAT1 ATOM 4141 H2 TIP3 578 17.797 -52.193 21.636 1.00 0.00 WAT1 ATOM 4142 OH2 TIP3 579 5.504 -51.036 20.303 1.00 0.00 WAT1 ATOM 4143 H1 TIP3 579 5.692 -50.753 19.387 1.00 0.00 WAT1 ATOM 4144 H2 TIP3 579 4.671 -51.559 20.227 1.00 0.00 WAT1 ATOM 4145 OH2 TIP3 580 13.811 -54.055 8.617 1.00 0.00 WAT1 ATOM 4146 H1 TIP3 580 14.057 -53.129 8.726 1.00 0.00 WAT1 ATOM 4147 H2 TIP3 580 12.847 -54.024 8.414 1.00 0.00 WAT1 ATOM 4148 OH2 TIP3 581 12.234 -51.081 8.729 1.00 0.00 WAT1 ATOM 4149 H1 TIP3 581 12.035 -50.789 9.635 1.00 0.00 WAT1 ATOM 4150 H2 TIP3 581 12.622 -50.293 8.310 1.00 0.00 WAT1 ATOM 4151 OH2 TIP3 582 1.875 -55.613 16.871 1.00 0.00 WAT1 ATOM 4152 H1 TIP3 582 1.250 -54.907 17.151 1.00 0.00 WAT1 ATOM 4153 H2 TIP3 582 1.838 -56.267 17.603 1.00 0.00 WAT1 ATOM 4154 OH2 TIP3 583 11.638 -58.905 6.434 1.00 0.00 WAT1 ATOM 4155 H1 TIP3 583 11.925 -58.549 5.553 1.00 0.00 WAT1 ATOM 4156 H2 TIP3 583 10.954 -58.276 6.731 1.00 0.00 WAT1 ATOM 4157 OH2 TIP3 584 9.603 -63.887 5.707 1.00 0.00 WAT1 ATOM 4158 H1 TIP3 584 10.298 -63.513 6.270 1.00 0.00 WAT1 ATOM 4159 H2 TIP3 584 8.777 -63.578 6.113 1.00 0.00 WAT1 ATOM 4160 OH2 TIP3 585 1.828 -56.760 12.975 1.00 0.00 WAT1 ATOM 4161 H1 TIP3 585 2.569 -56.836 12.342 1.00 0.00 WAT1 ATOM 4162 H2 TIP3 585 1.995 -55.918 13.437 1.00 0.00 WAT1 ATOM 4163 OH2 TIP3 586 8.908 -54.933 9.958 1.00 0.00 WAT1 ATOM 4164 H1 TIP3 586 8.926 -54.662 9.017 1.00 0.00 WAT1 ATOM 4165 H2 TIP3 586 8.938 -54.087 10.451 1.00 0.00 WAT1 ATOM 4166 OH2 TIP3 587 7.875 -61.680 6.691 1.00 0.00 WAT1 ATOM 4167 H1 TIP3 587 8.086 -61.084 5.939 1.00 0.00 WAT1 ATOM 4168 H2 TIP3 587 7.006 -61.363 7.009 1.00 0.00 WAT1 ATOM 4169 OH2 TIP3 588 6.726 -57.732 7.854 1.00 0.00 WAT1 ATOM 4170 H1 TIP3 588 6.290 -58.562 7.581 1.00 0.00 WAT1 ATOM 4171 H2 TIP3 588 6.397 -57.064 7.205 1.00 0.00 WAT1 ATOM 4172 OH2 TIP3 589 12.775 -53.583 22.903 1.00 0.00 WAT1 ATOM 4173 H1 TIP3 589 13.055 -54.057 23.689 1.00 0.00 WAT1 ATOM 4174 H2 TIP3 589 13.598 -53.471 22.384 1.00 0.00 WAT1 ATOM 4175 OH2 TIP3 590 8.691 -54.578 7.183 1.00 0.00 WAT1 ATOM 4176 H1 TIP3 590 7.828 -54.781 6.742 1.00 0.00 WAT1 ATOM 4177 H2 TIP3 590 9.244 -55.350 6.976 1.00 0.00 WAT1 ATOM 4178 OH2 TIP3 591 10.113 -62.736 3.312 1.00 0.00 WAT1 ATOM 4179 H1 TIP3 591 10.516 -61.917 3.640 1.00 0.00 WAT1 ATOM 4180 H2 TIP3 591 9.921 -63.256 4.131 1.00 0.00 WAT1 ATOM 4181 OH2 TIP3 592 5.290 -56.620 18.611 1.00 0.00 WAT1 ATOM 4182 H1 TIP3 592 4.534 -57.217 18.613 1.00 0.00 WAT1 ATOM 4183 H2 TIP3 592 5.140 -56.039 19.397 1.00 0.00 WAT1 ATOM 4184 OH2 TIP3 593 8.731 -58.870 15.985 1.00 0.00 WAT1 ATOM 4185 H1 TIP3 593 8.508 -59.047 15.065 1.00 0.00 WAT1 ATOM 4186 H2 TIP3 593 8.092 -59.385 16.490 1.00 0.00 WAT1 ATOM 4187 OH2 TIP3 594 0.168 -56.967 15.133 1.00 0.00 WAT1 ATOM 4188 H1 TIP3 594 0.770 -56.548 15.775 1.00 0.00 WAT1 ATOM 4189 H2 TIP3 594 0.726 -57.107 14.340 1.00 0.00 WAT1 ATOM 4190 OH2 TIP3 595 8.361 -51.730 17.653 1.00 0.00 WAT1 ATOM 4191 H1 TIP3 595 8.846 -51.230 16.956 1.00 0.00 WAT1 ATOM 4192 H2 TIP3 595 7.529 -51.230 17.769 1.00 0.00 WAT1 ATOM 4193 OH2 TIP3 596 15.354 -62.249 8.762 1.00 0.00 WAT1 ATOM 4194 H1 TIP3 596 14.869 -62.870 9.310 1.00 0.00 WAT1 ATOM 4195 H2 TIP3 596 14.652 -61.704 8.340 1.00 0.00 WAT1 ATOM 4196 OH2 TIP3 597 2.018 -57.164 6.949 1.00 0.00 WAT1 ATOM 4197 H1 TIP3 597 2.954 -56.854 6.887 1.00 0.00 WAT1 ATOM 4198 H2 TIP3 597 1.765 -57.313 6.022 1.00 0.00 WAT1 ATOM 4199 OH2 TIP3 598 7.641 -55.188 18.302 1.00 0.00 WAT1 ATOM 4200 H1 TIP3 598 6.887 -55.782 18.498 1.00 0.00 WAT1 ATOM 4201 H2 TIP3 598 8.315 -55.777 17.903 1.00 0.00 WAT1 ATOM 4202 OH2 TIP3 599 2.954 -54.067 9.418 1.00 0.00 WAT1 ATOM 4203 H1 TIP3 599 3.920 -54.200 9.280 1.00 0.00 WAT1 ATOM 4204 H2 TIP3 599 2.564 -54.237 8.551 1.00 0.00 WAT1 ATOM 4205 OH2 TIP3 600 2.657 -59.776 7.559 1.00 0.00 WAT1 ATOM 4206 H1 TIP3 600 1.905 -60.177 7.088 1.00 0.00 WAT1 ATOM 4207 H2 TIP3 600 2.468 -58.818 7.534 1.00 0.00 WAT1 ATOM 4208 OH2 TIP3 601 14.038 -48.074 16.040 1.00 0.00 WAT1 ATOM 4209 H1 TIP3 601 14.583 -47.518 15.441 1.00 0.00 WAT1 ATOM 4210 H2 TIP3 601 14.539 -48.072 16.889 1.00 0.00 WAT1 ATOM 4211 OH2 TIP3 602 -0.604 -56.082 20.521 1.00 0.00 WAT1 ATOM 4212 H1 TIP3 602 -0.845 -55.400 21.192 1.00 0.00 WAT1 ATOM 4213 H2 TIP3 602 -1.256 -56.811 20.674 1.00 0.00 WAT1 ATOM 4214 OH2 TIP3 603 7.718 -47.614 21.431 1.00 0.00 WAT1 ATOM 4215 H1 TIP3 603 8.326 -46.858 21.618 1.00 0.00 WAT1 ATOM 4216 H2 TIP3 603 7.706 -48.120 22.263 1.00 0.00 WAT1 ATOM 4217 OH2 TIP3 604 11.413 -52.607 20.751 1.00 0.00 WAT1 ATOM 4218 H1 TIP3 604 10.493 -52.931 20.631 1.00 0.00 WAT1 ATOM 4219 H2 TIP3 604 11.700 -52.998 21.609 1.00 0.00 WAT1 ATOM 4220 OH2 TIP3 605 9.597 -56.432 16.850 1.00 0.00 WAT1 ATOM 4221 H1 TIP3 605 10.579 -56.403 16.913 1.00 0.00 WAT1 ATOM 4222 H2 TIP3 605 9.401 -57.356 16.567 1.00 0.00 WAT1 ATOM 4223 OH2 TIP3 606 3.984 -56.536 11.197 1.00 0.00 WAT1 ATOM 4224 H1 TIP3 606 3.666 -56.925 10.371 1.00 0.00 WAT1 ATOM 4225 H2 TIP3 606 4.952 -56.684 11.173 1.00 0.00 WAT1 ATOM 4226 OH2 TIP3 607 8.759 -60.071 4.706 1.00 0.00 WAT1 ATOM 4227 H1 TIP3 607 9.572 -59.810 4.210 1.00 0.00 WAT1 ATOM 4228 H2 TIP3 607 8.198 -59.260 4.687 1.00 0.00 WAT1 ATOM 4229 OH2 TIP3 608 15.695 -47.721 18.200 1.00 0.00 WAT1 ATOM 4230 H1 TIP3 608 16.301 -48.262 18.760 1.00 0.00 WAT1 ATOM 4231 H2 TIP3 608 16.283 -47.058 17.780 1.00 0.00 WAT1 ATOM 4232 OH2 TIP3 609 17.040 -49.084 20.177 1.00 0.00 WAT1 ATOM 4233 H1 TIP3 609 16.837 -48.622 21.013 1.00 0.00 WAT1 ATOM 4234 H2 TIP3 609 17.100 -50.028 20.437 1.00 0.00 WAT1 ATOM 4235 OH2 TIP3 610 17.826 -57.284 8.672 1.00 0.00 WAT1 ATOM 4236 H1 TIP3 610 18.492 -57.699 9.268 1.00 0.00 WAT1 ATOM 4237 H2 TIP3 610 17.725 -57.934 7.943 1.00 0.00 WAT1 ATOM 4238 OH2 TIP3 611 14.341 -55.225 15.169 1.00 0.00 WAT1 ATOM 4239 H1 TIP3 611 14.591 -55.761 14.408 1.00 0.00 WAT1 ATOM 4240 H2 TIP3 611 14.186 -54.334 14.794 1.00 0.00 WAT1 ATOM 4241 OH2 TIP3 612 20.342 -59.450 7.254 1.00 0.00 WAT1 ATOM 4242 H1 TIP3 612 20.065 -60.060 6.549 1.00 0.00 WAT1 ATOM 4243 H2 TIP3 612 20.573 -58.621 6.779 1.00 0.00 WAT1 ATOM 4244 OH2 TIP3 613 18.970 -61.357 5.498 1.00 0.00 WAT1 ATOM 4245 H1 TIP3 613 18.434 -61.948 4.918 1.00 0.00 WAT1 ATOM 4246 H2 TIP3 613 18.619 -61.530 6.398 1.00 0.00 WAT1 ATOM 4247 OH2 TIP3 614 17.218 -59.209 6.840 1.00 0.00 WAT1 ATOM 4248 H1 TIP3 614 17.676 -59.963 7.268 1.00 0.00 WAT1 ATOM 4249 H2 TIP3 614 16.357 -59.594 6.544 1.00 0.00 WAT1 ATOM 4250 OH2 TIP3 615 -2.628 -53.614 14.728 1.00 0.00 WAT1 ATOM 4251 H1 TIP3 615 -2.427 -54.575 14.813 1.00 0.00 WAT1 ATOM 4252 H2 TIP3 615 -1.776 -53.168 14.938 1.00 0.00 WAT1 ATOM 4253 OH2 TIP3 616 12.846 -48.240 8.351 1.00 0.00 WAT1 ATOM 4254 H1 TIP3 616 13.790 -47.939 8.426 1.00 0.00 WAT1 ATOM 4255 H2 TIP3 616 12.506 -47.751 7.596 1.00 0.00 WAT1 ATOM 4256 OH2 TIP3 617 1.954 -54.702 21.085 1.00 0.00 WAT1 ATOM 4257 H1 TIP3 617 1.531 -54.643 21.952 1.00 0.00 WAT1 ATOM 4258 H2 TIP3 617 1.282 -55.130 20.524 1.00 0.00 WAT1 ATOM 4259 OH2 TIP3 618 3.130 -52.412 20.058 1.00 0.00 WAT1 ATOM 4260 H1 TIP3 618 2.373 -51.963 19.629 1.00 0.00 WAT1 ATOM 4261 H2 TIP3 618 2.727 -53.193 20.485 1.00 0.00 WAT1 ATOM 4262 OH2 TIP3 619 12.927 -53.960 18.877 1.00 0.00 WAT1 ATOM 4263 H1 TIP3 619 12.925 -53.360 18.108 1.00 0.00 WAT1 ATOM 4264 H2 TIP3 619 12.310 -53.540 19.511 1.00 0.00 WAT1 ATOM 4265 OH2 TIP3 620 10.605 -48.139 23.290 1.00 0.00 WAT1 ATOM 4266 H1 TIP3 620 10.822 -47.443 23.927 1.00 0.00 WAT1 ATOM 4267 H2 TIP3 620 10.997 -47.824 22.451 1.00 0.00 WAT1 ATOM 4268 OH2 TIP3 621 1.364 -47.440 25.187 1.00 0.00 WAT1 ATOM 4269 H1 TIP3 621 2.111 -47.720 24.614 1.00 0.00 WAT1 ATOM 4270 H2 TIP3 621 1.679 -46.623 25.601 1.00 0.00 WAT1 ATOM 4271 OH2 TIP3 622 8.024 -50.974 21.488 1.00 0.00 WAT1 ATOM 4272 H1 TIP3 622 7.107 -50.883 21.154 1.00 0.00 WAT1 ATOM 4273 H2 TIP3 622 8.329 -51.821 21.111 1.00 0.00 WAT1 ATOM 4274 OH2 TIP3 623 14.813 -53.248 21.058 1.00 0.00 WAT1 ATOM 4275 H1 TIP3 623 14.515 -53.865 20.368 1.00 0.00 WAT1 ATOM 4276 H2 TIP3 623 14.507 -52.365 20.737 1.00 0.00 WAT1 ATOM 4277 OH2 TIP3 624 8.807 -53.195 19.903 1.00 0.00 WAT1 ATOM 4278 H1 TIP3 624 8.727 -52.579 19.142 1.00 0.00 WAT1 ATOM 4279 H2 TIP3 624 8.348 -54.004 19.595 1.00 0.00 WAT1 ATOM 4280 OH2 TIP3 625 4.115 -47.814 29.683 1.00 0.00 WAT1 ATOM 4281 H1 TIP3 625 4.319 -46.949 29.261 1.00 0.00 WAT1 ATOM 4282 H2 TIP3 625 4.683 -47.836 30.456 1.00 0.00 WAT1 ATOM 4283 OH2 TIP3 626 8.121 -49.288 23.631 1.00 0.00 WAT1 ATOM 4284 H1 TIP3 626 9.050 -48.962 23.657 1.00 0.00 WAT1 ATOM 4285 H2 TIP3 626 8.138 -50.006 22.957 1.00 0.00 WAT1 ATOM 4286 OH2 TIP3 627 8.852 -40.324 -17.013 1.00 0.00 WAT1 ATOM 4287 H1 TIP3 627 9.108 -40.803 -16.184 1.00 0.00 WAT1 ATOM 4288 H2 TIP3 627 7.889 -40.378 -17.024 1.00 0.00 WAT1 ATOM 4289 OH2 TIP3 628 2.311 -41.404 -27.200 1.00 0.00 WAT1 ATOM 4290 H1 TIP3 628 1.991 -40.569 -27.538 1.00 0.00 WAT1 ATOM 4291 H2 TIP3 628 2.009 -41.419 -26.273 1.00 0.00 WAT1 ATOM 4292 OH2 TIP3 629 1.674 -41.659 -20.883 1.00 0.00 WAT1 ATOM 4293 H1 TIP3 629 2.187 -42.270 -20.337 1.00 0.00 WAT1 ATOM 4294 H2 TIP3 629 0.890 -41.436 -20.318 1.00 0.00 WAT1 ATOM 4295 OH2 TIP3 630 9.444 -31.931 -22.214 1.00 0.00 WAT1 ATOM 4296 H1 TIP3 630 8.744 -32.629 -22.176 1.00 0.00 WAT1 ATOM 4297 H2 TIP3 630 10.277 -32.423 -22.063 1.00 0.00 WAT1 ATOM 4298 OH2 TIP3 631 9.241 -38.016 -21.023 1.00 0.00 WAT1 ATOM 4299 H1 TIP3 631 9.572 -38.858 -20.645 1.00 0.00 WAT1 ATOM 4300 H2 TIP3 631 8.504 -38.290 -21.614 1.00 0.00 WAT1 ATOM 4301 OH2 TIP3 632 7.169 -40.775 -20.127 1.00 0.00 WAT1 ATOM 4302 H1 TIP3 632 8.119 -40.577 -20.009 1.00 0.00 WAT1 ATOM 4303 H2 TIP3 632 7.102 -41.736 -19.935 1.00 0.00 WAT1 ATOM 4304 OH2 TIP3 633 1.566 -44.913 -20.217 1.00 0.00 WAT1 ATOM 4305 H1 TIP3 633 2.338 -45.352 -19.803 1.00 0.00 WAT1 ATOM 4306 H2 TIP3 633 1.653 -45.115 -21.155 1.00 0.00 WAT1 ATOM 4307 OH2 TIP3 634 4.220 -42.100 -23.731 1.00 0.00 WAT1 ATOM 4308 H1 TIP3 634 4.514 -42.633 -24.480 1.00 0.00 WAT1 ATOM 4309 H2 TIP3 634 4.680 -42.501 -22.954 1.00 0.00 WAT1 ATOM 4310 OH2 TIP3 635 16.312 -41.991 -14.963 1.00 0.00 WAT1 ATOM 4311 H1 TIP3 635 16.487 -42.854 -14.534 1.00 0.00 WAT1 ATOM 4312 H2 TIP3 635 17.165 -41.731 -15.322 1.00 0.00 WAT1 ATOM 4313 OH2 TIP3 636 5.314 -46.810 -16.677 1.00 0.00 WAT1 ATOM 4314 H1 TIP3 636 5.511 -47.777 -16.673 1.00 0.00 WAT1 ATOM 4315 H2 TIP3 636 4.427 -46.743 -16.260 1.00 0.00 WAT1 ATOM 4316 OH2 TIP3 637 3.573 -45.765 -18.551 1.00 0.00 WAT1 ATOM 4317 H1 TIP3 637 2.910 -45.913 -17.851 1.00 0.00 WAT1 ATOM 4318 H2 TIP3 637 4.388 -46.168 -18.189 1.00 0.00 WAT1 ATOM 4319 OH2 TIP3 638 0.569 -37.654 -20.626 1.00 0.00 WAT1 ATOM 4320 H1 TIP3 638 0.320 -37.821 -19.700 1.00 0.00 WAT1 ATOM 4321 H2 TIP3 638 0.917 -36.736 -20.617 1.00 0.00 WAT1 ATOM 4322 OH2 TIP3 639 11.731 -33.490 -21.655 1.00 0.00 WAT1 ATOM 4323 H1 TIP3 639 11.406 -34.312 -21.220 1.00 0.00 WAT1 ATOM 4324 H2 TIP3 639 12.233 -33.809 -22.415 1.00 0.00 WAT1 ATOM 4325 OH2 TIP3 640 5.856 -35.521 -22.981 1.00 0.00 WAT1 ATOM 4326 H1 TIP3 640 6.000 -36.170 -22.278 1.00 0.00 WAT1 ATOM 4327 H2 TIP3 640 5.794 -36.066 -23.799 1.00 0.00 WAT1 ATOM 4328 OH2 TIP3 641 11.383 -35.947 -16.530 1.00 0.00 WAT1 ATOM 4329 H1 TIP3 641 11.869 -35.934 -15.678 1.00 0.00 WAT1 ATOM 4330 H2 TIP3 641 12.092 -35.873 -17.211 1.00 0.00 WAT1 ATOM 4331 OH2 TIP3 642 12.023 -41.845 -14.589 1.00 0.00 WAT1 ATOM 4332 H1 TIP3 642 12.281 -41.891 -13.643 1.00 0.00 WAT1 ATOM 4333 H2 TIP3 642 12.734 -41.301 -15.000 1.00 0.00 WAT1 ATOM 4334 OH2 TIP3 643 4.374 -39.388 -23.318 1.00 0.00 WAT1 ATOM 4335 H1 TIP3 643 3.456 -39.207 -23.016 1.00 0.00 WAT1 ATOM 4336 H2 TIP3 643 4.372 -40.348 -23.522 1.00 0.00 WAT1 ATOM 4337 OH2 TIP3 644 10.958 -35.835 -20.453 1.00 0.00 WAT1 ATOM 4338 H1 TIP3 644 10.455 -36.605 -20.800 1.00 0.00 WAT1 ATOM 4339 H2 TIP3 644 10.380 -35.473 -19.747 1.00 0.00 WAT1 ATOM 4340 OH2 TIP3 645 1.755 -39.381 -22.427 1.00 0.00 WAT1 ATOM 4341 H1 TIP3 645 1.688 -40.181 -21.861 1.00 0.00 WAT1 ATOM 4342 H2 TIP3 645 1.245 -38.698 -21.932 1.00 0.00 WAT1 ATOM 4343 OH2 TIP3 646 7.762 -36.948 -18.998 1.00 0.00 WAT1 ATOM 4344 H1 TIP3 646 8.116 -37.413 -18.209 1.00 0.00 WAT1 ATOM 4345 H2 TIP3 646 8.204 -37.390 -19.755 1.00 0.00 WAT1 ATOM 4346 OH2 TIP3 647 14.910 -43.124 -11.189 1.00 0.00 WAT1 ATOM 4347 H1 TIP3 647 14.354 -42.485 -11.682 1.00 0.00 WAT1 ATOM 4348 H2 TIP3 647 14.401 -43.964 -11.238 1.00 0.00 WAT1 ATOM 4349 OH2 TIP3 648 11.171 -47.477 -17.636 1.00 0.00 WAT1 ATOM 4350 H1 TIP3 648 11.305 -48.028 -16.833 1.00 0.00 WAT1 ATOM 4351 H2 TIP3 648 11.077 -48.117 -18.348 1.00 0.00 WAT1 ATOM 4352 OH2 TIP3 649 11.466 -44.198 -15.835 1.00 0.00 WAT1 ATOM 4353 H1 TIP3 649 11.275 -44.665 -14.992 1.00 0.00 WAT1 ATOM 4354 H2 TIP3 649 11.700 -43.286 -15.552 1.00 0.00 WAT1 ATOM 4355 OH2 TIP3 650 4.549 -43.257 -19.086 1.00 0.00 WAT1 ATOM 4356 H1 TIP3 650 4.145 -44.137 -18.922 1.00 0.00 WAT1 ATOM 4357 H2 TIP3 650 3.981 -42.637 -18.579 1.00 0.00 WAT1 ATOM 4358 OH2 TIP3 651 0.369 -43.052 -22.889 1.00 0.00 WAT1 ATOM 4359 H1 TIP3 651 0.687 -42.547 -23.661 1.00 0.00 WAT1 ATOM 4360 H2 TIP3 651 0.820 -42.631 -22.129 1.00 0.00 WAT1 ATOM 4361 OH2 TIP3 652 11.073 -45.350 -13.379 1.00 0.00 WAT1 ATOM 4362 H1 TIP3 652 11.800 -45.173 -12.745 1.00 0.00 WAT1 ATOM 4363 H2 TIP3 652 10.940 -46.321 -13.321 1.00 0.00 WAT1 ATOM 4364 OH2 TIP3 653 9.283 -41.595 -14.704 1.00 0.00 WAT1 ATOM 4365 H1 TIP3 653 10.255 -41.650 -14.585 1.00 0.00 WAT1 ATOM 4366 H2 TIP3 653 8.939 -42.368 -14.214 1.00 0.00 WAT1 ATOM 4367 OH2 TIP3 654 -2.195 -43.484 -22.124 1.00 0.00 WAT1 ATOM 4368 H1 TIP3 654 -2.538 -43.965 -22.883 1.00 0.00 WAT1 ATOM 4369 H2 TIP3 654 -1.249 -43.310 -22.356 1.00 0.00 WAT1 ATOM 4370 OH2 TIP3 655 12.485 -30.702 -14.748 1.00 0.00 WAT1 ATOM 4371 H1 TIP3 655 12.623 -31.623 -14.432 1.00 0.00 WAT1 ATOM 4372 H2 TIP3 655 12.975 -30.664 -15.596 1.00 0.00 WAT1 ATOM 4373 OH2 TIP3 656 9.809 -40.308 -19.555 1.00 0.00 WAT1 ATOM 4374 H1 TIP3 656 9.551 -40.295 -18.601 1.00 0.00 WAT1 ATOM 4375 H2 TIP3 656 10.567 -40.905 -19.585 1.00 0.00 WAT1 ATOM 4376 OH2 TIP3 657 7.402 -43.357 -19.272 1.00 0.00 WAT1 ATOM 4377 H1 TIP3 657 7.977 -43.916 -18.719 1.00 0.00 WAT1 ATOM 4378 H2 TIP3 657 6.503 -43.522 -18.930 1.00 0.00 WAT1 ATOM 4379 OH2 TIP3 658 8.067 -35.850 -15.122 1.00 0.00 WAT1 ATOM 4380 H1 TIP3 658 8.465 -36.463 -15.773 1.00 0.00 WAT1 ATOM 4381 H2 TIP3 658 7.680 -36.448 -14.440 1.00 0.00 WAT1 ATOM 4382 OH2 TIP3 659 15.221 -37.855 -15.546 1.00 0.00 WAT1 ATOM 4383 H1 TIP3 659 15.387 -37.359 -14.720 1.00 0.00 WAT1 ATOM 4384 H2 TIP3 659 15.024 -37.174 -16.195 1.00 0.00 WAT1 ATOM 4385 OH2 TIP3 660 5.838 -37.563 -24.741 1.00 0.00 WAT1 ATOM 4386 H1 TIP3 660 5.153 -38.181 -24.412 1.00 0.00 WAT1 ATOM 4387 H2 TIP3 660 6.660 -38.055 -24.653 1.00 0.00 WAT1 ATOM 4388 OH2 TIP3 661 6.842 -38.941 -22.159 1.00 0.00 WAT1 ATOM 4389 H1 TIP3 661 5.957 -39.025 -22.574 1.00 0.00 WAT1 ATOM 4390 H2 TIP3 661 6.859 -39.653 -21.488 1.00 0.00 WAT1 ATOM 4391 OH2 TIP3 662 0.291 -32.707 -21.016 1.00 0.00 WAT1 ATOM 4392 H1 TIP3 662 -0.032 -32.694 -21.925 1.00 0.00 WAT1 ATOM 4393 H2 TIP3 662 1.117 -32.180 -21.046 1.00 0.00 WAT1 ATOM 4394 OH2 TIP3 663 9.464 -34.927 -18.299 1.00 0.00 WAT1 ATOM 4395 H1 TIP3 663 8.797 -35.641 -18.400 1.00 0.00 WAT1 ATOM 4396 H2 TIP3 663 10.062 -35.256 -17.592 1.00 0.00 WAT1 ATOM 4397 OH2 TIP3 664 12.585 -33.294 -13.744 1.00 0.00 WAT1 ATOM 4398 H1 TIP3 664 12.571 -34.232 -14.017 1.00 0.00 WAT1 ATOM 4399 H2 TIP3 664 13.058 -33.305 -12.886 1.00 0.00 WAT1 ATOM 4400 OH2 TIP3 665 2.631 -46.454 -15.874 1.00 0.00 WAT1 ATOM 4401 H1 TIP3 665 1.987 -45.712 -15.807 1.00 0.00 WAT1 ATOM 4402 H2 TIP3 665 2.361 -47.066 -15.157 1.00 0.00 WAT1 ATOM 4403 OH2 TIP3 666 10.945 -48.096 -13.056 1.00 0.00 WAT1 ATOM 4404 H1 TIP3 666 10.584 -48.978 -12.874 1.00 0.00 WAT1 ATOM 4405 H2 TIP3 666 11.554 -47.925 -12.287 1.00 0.00 WAT1 ATOM 4406 OH2 TIP3 667 8.648 -44.086 -13.589 1.00 0.00 WAT1 ATOM 4407 H1 TIP3 667 8.243 -44.586 -14.332 1.00 0.00 WAT1 ATOM 4408 H2 TIP3 667 9.537 -44.494 -13.480 1.00 0.00 WAT1 ATOM 4409 OH2 TIP3 668 13.313 -46.193 -16.276 1.00 0.00 WAT1 ATOM 4410 H1 TIP3 668 12.750 -46.687 -16.900 1.00 0.00 WAT1 ATOM 4411 H2 TIP3 668 12.814 -45.362 -16.120 1.00 0.00 WAT1 ATOM 4412 OH2 TIP3 669 13.701 -30.657 -17.209 1.00 0.00 WAT1 ATOM 4413 H1 TIP3 669 13.292 -31.150 -17.956 1.00 0.00 WAT1 ATOM 4414 H2 TIP3 669 14.645 -30.688 -17.396 1.00 0.00 WAT1 ATOM 4415 OH2 TIP3 670 1.574 -35.112 -20.386 1.00 0.00 WAT1 ATOM 4416 H1 TIP3 670 2.423 -34.829 -20.783 1.00 0.00 WAT1 ATOM 4417 H2 TIP3 670 0.994 -34.336 -20.486 1.00 0.00 WAT1 ATOM 4418 OH2 TIP3 671 9.241 -37.647 -16.851 1.00 0.00 WAT1 ATOM 4419 H1 TIP3 671 10.150 -37.330 -16.660 1.00 0.00 WAT1 ATOM 4420 H2 TIP3 671 9.306 -38.624 -16.783 1.00 0.00 WAT1 ATOM 4421 OH2 TIP3 672 7.561 -45.760 -15.493 1.00 0.00 WAT1 ATOM 4422 H1 TIP3 672 8.163 -45.572 -16.244 1.00 0.00 WAT1 ATOM 4423 H2 TIP3 672 6.737 -46.078 -15.924 1.00 0.00 WAT1 ATOM 4424 OH2 TIP3 673 9.414 -45.152 -17.476 1.00 0.00 WAT1 ATOM 4425 H1 TIP3 673 10.065 -44.610 -16.985 1.00 0.00 WAT1 ATOM 4426 H2 TIP3 673 9.895 -45.979 -17.668 1.00 0.00 WAT1 ATOM 4427 OH2 TIP3 674 12.848 -41.435 -12.015 1.00 0.00 WAT1 ATOM 4428 H1 TIP3 674 12.661 -41.661 -11.075 1.00 0.00 WAT1 ATOM 4429 H2 TIP3 674 12.573 -40.506 -12.097 1.00 0.00 WAT1 ATOM 4430 OH2 TIP3 675 7.074 -46.208 -12.599 1.00 0.00 WAT1 ATOM 4431 H1 TIP3 675 7.068 -46.518 -13.518 1.00 0.00 WAT1 ATOM 4432 H2 TIP3 675 7.523 -45.347 -12.646 1.00 0.00 WAT1 ATOM 4433 OH2 TIP3 676 6.026 -50.491 -13.591 1.00 0.00 WAT1 ATOM 4434 H1 TIP3 676 5.403 -50.852 -14.258 1.00 0.00 WAT1 ATOM 4435 H2 TIP3 676 5.798 -49.554 -13.538 1.00 0.00 WAT1 ATOM 4436 OH2 TIP3 677 4.338 -51.514 -15.527 1.00 0.00 WAT1 ATOM 4437 H1 TIP3 677 4.530 -52.424 -15.209 1.00 0.00 WAT1 ATOM 4438 H2 TIP3 677 3.377 -51.442 -15.466 1.00 0.00 WAT1 ATOM 4439 OH2 TIP3 678 5.942 -35.083 -19.801 1.00 0.00 WAT1 ATOM 4440 H1 TIP3 678 6.454 -35.876 -19.521 1.00 0.00 WAT1 ATOM 4441 H2 TIP3 678 6.283 -34.368 -19.229 1.00 0.00 WAT1 ATOM 4442 OH2 TIP3 679 12.884 -36.087 -14.143 1.00 0.00 WAT1 ATOM 4443 H1 TIP3 679 13.803 -36.041 -13.803 1.00 0.00 WAT1 ATOM 4444 H2 TIP3 679 12.564 -36.957 -13.828 1.00 0.00 WAT1 ATOM 4445 OH2 TIP3 680 15.442 -36.495 -13.087 1.00 0.00 WAT1 ATOM 4446 H1 TIP3 680 15.867 -35.810 -12.533 1.00 0.00 WAT1 ATOM 4447 H2 TIP3 680 15.410 -37.282 -12.506 1.00 0.00 WAT1 ATOM 4448 OH2 TIP3 681 13.069 -35.585 -18.647 1.00 0.00 WAT1 ATOM 4449 H1 TIP3 681 12.433 -35.765 -19.369 1.00 0.00 WAT1 ATOM 4450 H2 TIP3 681 13.682 -34.948 -19.026 1.00 0.00 WAT1 ATOM 4451 OH2 TIP3 682 15.033 -38.624 -11.228 1.00 0.00 WAT1 ATOM 4452 H1 TIP3 682 15.477 -39.436 -10.911 1.00 0.00 WAT1 ATOM 4453 H2 TIP3 682 14.836 -38.134 -10.419 1.00 0.00 WAT1 ATOM 4454 OH2 TIP3 683 17.612 -43.609 -11.250 1.00 0.00 WAT1 ATOM 4455 H1 TIP3 683 16.663 -43.479 -11.045 1.00 0.00 WAT1 ATOM 4456 H2 TIP3 683 17.618 -43.815 -12.206 1.00 0.00 WAT1 ATOM 4457 OH2 TIP3 684 5.579 -43.200 -21.627 1.00 0.00 WAT1 ATOM 4458 H1 TIP3 684 6.474 -43.448 -21.362 1.00 0.00 WAT1 ATOM 4459 H2 TIP3 684 5.085 -43.160 -20.781 1.00 0.00 WAT1 ATOM 4460 OH2 TIP3 685 -0.368 -41.244 -19.209 1.00 0.00 WAT1 ATOM 4461 H1 TIP3 685 -1.325 -41.050 -19.231 1.00 0.00 WAT1 ATOM 4462 H2 TIP3 685 -0.297 -42.037 -18.640 1.00 0.00 WAT1 ATOM 4463 OH2 TIP3 686 13.416 -45.376 -11.762 1.00 0.00 WAT1 ATOM 4464 H1 TIP3 686 13.112 -46.222 -11.346 1.00 0.00 WAT1 ATOM 4465 H2 TIP3 686 14.009 -45.668 -12.486 1.00 0.00 WAT1 ATOM 4466 OH2 TIP3 687 0.727 -44.474 -15.749 1.00 0.00 WAT1 ATOM 4467 H1 TIP3 687 -0.186 -44.663 -15.453 1.00 0.00 WAT1 ATOM 4468 H2 TIP3 687 0.610 -44.123 -16.662 1.00 0.00 WAT1 ATOM 4469 OH2 TIP3 688 15.432 -48.270 -15.827 1.00 0.00 WAT1 ATOM 4470 H1 TIP3 688 14.797 -47.658 -16.238 1.00 0.00 WAT1 ATOM 4471 H2 TIP3 688 14.881 -48.842 -15.254 1.00 0.00 WAT1 ATOM 4472 OH2 TIP3 689 12.520 -28.056 -17.402 1.00 0.00 WAT1 ATOM 4473 H1 TIP3 689 12.967 -28.881 -17.132 1.00 0.00 WAT1 ATOM 4474 H2 TIP3 689 12.686 -28.002 -18.371 1.00 0.00 WAT1 ATOM 4475 OH2 TIP3 690 3.950 -34.134 -21.441 1.00 0.00 WAT1 ATOM 4476 H1 TIP3 690 4.563 -34.459 -20.745 1.00 0.00 WAT1 ATOM 4477 H2 TIP3 690 4.363 -34.435 -22.274 1.00 0.00 WAT1 ATOM 4478 OH2 TIP3 691 7.467 -33.686 -21.803 1.00 0.00 WAT1 ATOM 4479 H1 TIP3 691 7.068 -33.963 -20.964 1.00 0.00 WAT1 ATOM 4480 H2 TIP3 691 6.977 -34.203 -22.477 1.00 0.00 WAT1 ATOM 4481 OH2 TIP3 692 1.907 -48.010 -13.606 1.00 0.00 WAT1 ATOM 4482 H1 TIP3 692 1.765 -47.375 -12.871 1.00 0.00 WAT1 ATOM 4483 H2 TIP3 692 2.385 -48.756 -13.184 1.00 0.00 WAT1 ATOM 4484 OH2 TIP3 693 3.083 -49.802 -11.893 1.00 0.00 WAT1 ATOM 4485 H1 TIP3 693 3.868 -50.048 -11.353 1.00 0.00 WAT1 ATOM 4486 H2 TIP3 693 2.380 -49.631 -11.232 1.00 0.00 WAT1 ATOM 4487 OH2 TIP3 694 13.903 -33.546 -11.275 1.00 0.00 WAT1 ATOM 4488 H1 TIP3 694 13.481 -33.855 -10.463 1.00 0.00 WAT1 ATOM 4489 H2 TIP3 694 14.793 -33.961 -11.253 1.00 0.00 WAT1 ATOM 4490 OH2 TIP3 695 16.392 -34.840 -10.915 1.00 0.00 WAT1 ATOM 4491 H1 TIP3 695 16.772 -33.946 -10.749 1.00 0.00 WAT1 ATOM 4492 H2 TIP3 695 16.819 -35.406 -10.234 1.00 0.00 WAT1 ATOM 4493 OH2 TIP3 696 13.178 -38.358 -6.563 1.00 0.00 WAT1 ATOM 4494 H1 TIP3 696 13.225 -38.625 -5.637 1.00 0.00 WAT1 ATOM 4495 H2 TIP3 696 13.906 -38.849 -6.991 1.00 0.00 WAT1 ATOM 4496 OH2 TIP3 697 14.366 -30.315 -8.407 1.00 0.00 WAT1 ATOM 4497 H1 TIP3 697 13.956 -29.440 -8.256 1.00 0.00 WAT1 ATOM 4498 H2 TIP3 697 14.107 -30.834 -7.631 1.00 0.00 WAT1 ATOM 4499 OH2 TIP3 698 12.993 -38.745 -13.131 1.00 0.00 WAT1 ATOM 4500 H1 TIP3 698 13.709 -38.712 -12.467 1.00 0.00 WAT1 ATOM 4501 H2 TIP3 698 13.350 -39.316 -13.842 1.00 0.00 WAT1 ATOM 4502 OH2 TIP3 699 16.046 -40.950 -9.805 1.00 0.00 WAT1 ATOM 4503 H1 TIP3 699 15.465 -41.657 -10.157 1.00 0.00 WAT1 ATOM 4504 H2 TIP3 699 16.939 -41.297 -9.931 1.00 0.00 WAT1 ATOM 4505 OH2 TIP3 700 16.446 -40.600 -5.115 1.00 0.00 WAT1 ATOM 4506 H1 TIP3 700 15.847 -40.132 -4.500 1.00 0.00 WAT1 ATOM 4507 H2 TIP3 700 16.797 -41.348 -4.583 1.00 0.00 WAT1 ATOM 4508 OH2 TIP3 701 17.541 -42.537 -3.523 1.00 0.00 WAT1 ATOM 4509 H1 TIP3 701 17.380 -43.503 -3.552 1.00 0.00 WAT1 ATOM 4510 H2 TIP3 701 16.905 -42.206 -2.843 1.00 0.00 WAT1 ATOM 4511 OH2 TIP3 702 15.458 -39.585 -7.441 1.00 0.00 WAT1 ATOM 4512 H1 TIP3 702 15.671 -40.069 -8.268 1.00 0.00 WAT1 ATOM 4513 H2 TIP3 702 15.875 -40.125 -6.732 1.00 0.00 WAT1 ATOM 4514 OH2 TIP3 703 0.855 -49.081 -10.324 1.00 0.00 WAT1 ATOM 4515 H1 TIP3 703 1.032 -48.174 -10.648 1.00 0.00 WAT1 ATOM 4516 H2 TIP3 703 -0.107 -49.084 -10.148 1.00 0.00 WAT1 ATOM 4517 OH2 TIP3 704 20.510 -45.557 17.491 1.00 0.00 WAT1 ATOM 4518 H1 TIP3 704 20.308 -46.332 18.028 1.00 0.00 WAT1 ATOM 4519 H2 TIP3 704 20.232 -45.813 16.583 1.00 0.00 WAT1 ATOM 4520 OH2 TIP3 705 19.812 -43.058 18.424 1.00 0.00 WAT1 ATOM 4521 H1 TIP3 705 18.984 -43.100 17.911 1.00 0.00 WAT1 ATOM 4522 H2 TIP3 705 20.243 -43.917 18.248 1.00 0.00 WAT1 ATOM 4523 OH2 TIP3 706 11.984 -46.094 18.298 1.00 0.00 WAT1 ATOM 4524 H1 TIP3 706 12.138 -45.200 17.920 1.00 0.00 WAT1 ATOM 4525 H2 TIP3 706 12.326 -46.695 17.629 1.00 0.00 WAT1 ATOM 4526 OH2 TIP3 707 11.377 -48.294 15.502 1.00 0.00 WAT1 ATOM 4527 H1 TIP3 707 11.247 -47.518 14.920 1.00 0.00 WAT1 ATOM 4528 H2 TIP3 707 12.341 -48.292 15.689 1.00 0.00 WAT1 ATOM 4529 OH2 TIP3 708 16.327 -51.049 10.131 1.00 0.00 WAT1 ATOM 4530 H1 TIP3 708 16.709 -50.271 9.664 1.00 0.00 WAT1 ATOM 4531 H2 TIP3 708 16.721 -51.806 9.686 1.00 0.00 WAT1 ATOM 4532 OH2 TIP3 709 12.860 -35.221 23.188 1.00 0.00 WAT1 ATOM 4533 H1 TIP3 709 13.305 -35.609 22.419 1.00 0.00 WAT1 ATOM 4534 H2 TIP3 709 11.936 -35.074 22.885 1.00 0.00 WAT1 ATOM 4535 OH2 TIP3 710 12.426 -43.745 16.902 1.00 0.00 WAT1 ATOM 4536 H1 TIP3 710 12.866 -43.774 16.046 1.00 0.00 WAT1 ATOM 4537 H2 TIP3 710 12.064 -42.839 16.954 1.00 0.00 WAT1 ATOM 4538 OH2 TIP3 711 14.991 -34.431 18.128 1.00 0.00 WAT1 ATOM 4539 H1 TIP3 711 14.370 -35.155 18.318 1.00 0.00 WAT1 ATOM 4540 H2 TIP3 711 15.779 -34.882 17.752 1.00 0.00 WAT1 ATOM 4541 OH2 TIP3 712 15.080 -45.589 23.592 1.00 0.00 WAT1 ATOM 4542 H1 TIP3 712 14.946 -44.781 23.091 1.00 0.00 WAT1 ATOM 4543 H2 TIP3 712 14.320 -45.611 24.221 1.00 0.00 WAT1 ATOM 4544 OH2 TIP3 713 8.129 -39.424 21.849 1.00 0.00 WAT1 ATOM 4545 H1 TIP3 713 8.416 -39.226 20.935 1.00 0.00 WAT1 ATOM 4546 H2 TIP3 713 7.193 -39.675 21.754 1.00 0.00 WAT1 ATOM 4547 OH2 TIP3 714 12.800 -45.363 25.078 1.00 0.00 WAT1 ATOM 4548 H1 TIP3 714 12.731 -44.909 25.947 1.00 0.00 WAT1 ATOM 4549 H2 TIP3 714 11.970 -45.119 24.620 1.00 0.00 WAT1 ATOM 4550 OH2 TIP3 715 11.015 -37.404 23.410 1.00 0.00 WAT1 ATOM 4551 H1 TIP3 715 10.596 -36.595 23.049 1.00 0.00 WAT1 ATOM 4552 H2 TIP3 715 11.881 -37.102 23.720 1.00 0.00 WAT1 ATOM 4553 OH2 TIP3 716 2.741 -49.009 19.173 1.00 0.00 WAT1 ATOM 4554 H1 TIP3 716 2.369 -48.226 18.719 1.00 0.00 WAT1 ATOM 4555 H2 TIP3 716 2.774 -49.689 18.483 1.00 0.00 WAT1 ATOM 4556 OH2 TIP3 717 9.489 -45.653 21.853 1.00 0.00 WAT1 ATOM 4557 H1 TIP3 717 9.763 -45.122 22.633 1.00 0.00 WAT1 ATOM 4558 H2 TIP3 717 10.330 -45.994 21.488 1.00 0.00 WAT1 ATOM 4559 OH2 TIP3 718 10.373 -44.478 24.148 1.00 0.00 WAT1 ATOM 4560 H1 TIP3 718 10.633 -43.531 24.249 1.00 0.00 WAT1 ATOM 4561 H2 TIP3 718 9.553 -44.557 24.689 1.00 0.00 WAT1 ATOM 4562 OH2 TIP3 719 14.394 -36.430 20.643 1.00 0.00 WAT1 ATOM 4563 H1 TIP3 719 15.018 -37.083 20.269 1.00 0.00 WAT1 ATOM 4564 H2 TIP3 719 13.621 -36.478 20.048 1.00 0.00 WAT1 ATOM 4565 OH2 TIP3 720 16.010 -38.154 19.002 1.00 0.00 WAT1 ATOM 4566 H1 TIP3 720 16.493 -38.850 19.500 1.00 0.00 WAT1 ATOM 4567 H2 TIP3 720 15.559 -38.646 18.281 1.00 0.00 WAT1 ATOM 4568 OH2 TIP3 721 17.667 -40.113 19.886 1.00 0.00 WAT1 ATOM 4569 H1 TIP3 721 18.591 -40.271 19.586 1.00 0.00 WAT1 ATOM 4570 H2 TIP3 721 17.640 -40.488 20.772 1.00 0.00 WAT1 ATOM 4571 OH2 TIP3 722 17.482 -43.102 16.920 1.00 0.00 WAT1 ATOM 4572 H1 TIP3 722 16.760 -42.672 17.393 1.00 0.00 WAT1 ATOM 4573 H2 TIP3 722 17.833 -42.399 16.327 1.00 0.00 WAT1 ATOM 4574 OH2 TIP3 723 -3.192 -44.781 20.746 1.00 0.00 WAT1 ATOM 4575 H1 TIP3 723 -3.243 -45.524 20.109 1.00 0.00 WAT1 ATOM 4576 H2 TIP3 723 -2.636 -45.132 21.476 1.00 0.00 WAT1 ATOM 4577 OH2 TIP3 724 14.125 -48.135 20.510 1.00 0.00 WAT1 ATOM 4578 H1 TIP3 724 14.794 -47.989 21.213 1.00 0.00 WAT1 ATOM 4579 H2 TIP3 724 14.584 -47.874 19.684 1.00 0.00 WAT1 ATOM 4580 OH2 TIP3 725 16.021 -47.894 22.506 1.00 0.00 WAT1 ATOM 4581 H1 TIP3 725 16.160 -48.458 23.274 1.00 0.00 WAT1 ATOM 4582 H2 TIP3 725 15.765 -47.020 22.893 1.00 0.00 WAT1 ATOM 4583 OH2 TIP3 726 14.148 -50.845 20.018 1.00 0.00 WAT1 ATOM 4584 H1 TIP3 726 14.550 -50.821 19.118 1.00 0.00 WAT1 ATOM 4585 H2 TIP3 726 14.108 -49.901 20.286 1.00 0.00 WAT1 ATOM 4586 OH2 TIP3 727 11.364 -46.134 13.630 1.00 0.00 WAT1 ATOM 4587 H1 TIP3 727 12.122 -46.558 13.178 1.00 0.00 WAT1 ATOM 4588 H2 TIP3 727 11.450 -45.188 13.407 1.00 0.00 WAT1 ATOM 4589 OH2 TIP3 728 13.592 -47.603 12.660 1.00 0.00 WAT1 ATOM 4590 H1 TIP3 728 14.208 -48.298 12.341 1.00 0.00 WAT1 ATOM 4591 H2 TIP3 728 14.154 -47.034 13.223 1.00 0.00 WAT1 ATOM 4592 OH2 TIP3 729 14.665 -50.322 14.583 1.00 0.00 WAT1 ATOM 4593 H1 TIP3 729 14.337 -49.526 15.053 1.00 0.00 WAT1 ATOM 4594 H2 TIP3 729 15.065 -49.965 13.757 1.00 0.00 WAT1 ATOM 4595 OH2 TIP3 730 11.216 -53.574 7.972 1.00 0.00 WAT1 ATOM 4596 H1 TIP3 730 10.324 -53.610 7.587 1.00 0.00 WAT1 ATOM 4597 H2 TIP3 730 11.371 -52.621 8.141 1.00 0.00 WAT1 ATOM 4598 OH2 TIP3 731 3.732 -47.775 23.827 1.00 0.00 WAT1 ATOM 4599 H1 TIP3 731 3.788 -48.218 22.942 1.00 0.00 WAT1 ATOM 4600 H2 TIP3 731 4.499 -48.137 24.320 1.00 0.00 WAT1 ATOM 4601 OH2 TIP3 732 5.983 -48.645 25.151 1.00 0.00 WAT1 ATOM 4602 H1 TIP3 732 6.786 -48.830 24.603 1.00 0.00 WAT1 ATOM 4603 H2 TIP3 732 5.890 -49.430 25.703 1.00 0.00 WAT1 ATOM 4604 OH2 TIP3 733 -1.056 -41.144 30.193 1.00 0.00 WAT1 ATOM 4605 H1 TIP3 733 -1.295 -40.275 29.804 1.00 0.00 WAT1 ATOM 4606 H2 TIP3 733 -0.729 -40.927 31.070 1.00 0.00 WAT1 ATOM 4607 OH2 TIP3 734 -0.797 -38.662 24.793 1.00 0.00 WAT1 ATOM 4608 H1 TIP3 734 0.100 -38.402 24.465 1.00 0.00 WAT1 ATOM 4609 H2 TIP3 734 -0.665 -39.567 25.158 1.00 0.00 WAT1 ATOM 4610 OH2 TIP3 735 9.552 -39.524 24.224 1.00 0.00 WAT1 ATOM 4611 H1 TIP3 735 8.950 -39.587 23.448 1.00 0.00 WAT1 ATOM 4612 H2 TIP3 735 10.173 -38.798 23.982 1.00 0.00 WAT1 ATOM 4613 OH2 TIP3 736 12.182 -43.767 27.247 1.00 0.00 WAT1 ATOM 4614 H1 TIP3 736 12.446 -42.836 27.127 1.00 0.00 WAT1 ATOM 4615 H2 TIP3 736 11.279 -43.714 27.582 1.00 0.00 WAT1 ATOM 4616 OH2 TIP3 737 4.360 -40.484 25.953 1.00 0.00 WAT1 ATOM 4617 H1 TIP3 737 4.283 -40.439 24.970 1.00 0.00 WAT1 ATOM 4618 H2 TIP3 737 4.243 -41.429 26.162 1.00 0.00 WAT1 ATOM 4619 OH2 TIP3 738 15.376 -34.031 21.579 1.00 0.00 WAT1 ATOM 4620 H1 TIP3 738 16.318 -33.980 21.311 1.00 0.00 WAT1 ATOM 4621 H2 TIP3 738 15.108 -34.946 21.342 1.00 0.00 WAT1 ATOM 4622 OH2 TIP3 739 10.451 -33.042 24.600 1.00 0.00 WAT1 ATOM 4623 H1 TIP3 739 10.362 -33.616 23.803 1.00 0.00 WAT1 ATOM 4624 H2 TIP3 739 9.773 -33.385 25.216 1.00 0.00 WAT1 ATOM 4625 OH2 TIP3 740 10.997 -33.310 29.172 1.00 0.00 WAT1 ATOM 4626 H1 TIP3 740 11.667 -32.724 29.536 1.00 0.00 WAT1 ATOM 4627 H2 TIP3 740 10.535 -32.755 28.496 1.00 0.00 WAT1 ATOM 4628 OH2 TIP3 741 9.736 -41.421 28.419 1.00 0.00 WAT1 ATOM 4629 H1 TIP3 741 9.210 -40.813 27.859 1.00 0.00 WAT1 ATOM 4630 H2 TIP3 741 10.012 -40.873 29.166 1.00 0.00 WAT1 ATOM 4631 OH2 TIP3 742 5.880 -46.069 26.134 1.00 0.00 WAT1 ATOM 4632 H1 TIP3 742 6.002 -46.996 25.835 1.00 0.00 WAT1 ATOM 4633 H2 TIP3 742 5.044 -45.788 25.708 1.00 0.00 WAT1 ATOM 4634 OH2 TIP3 743 1.395 -51.638 27.007 1.00 0.00 WAT1 ATOM 4635 H1 TIP3 743 1.201 -51.995 26.142 1.00 0.00 WAT1 ATOM 4636 H2 TIP3 743 0.858 -50.825 27.057 1.00 0.00 WAT1 ATOM 4637 OH2 TIP3 744 3.714 -43.282 26.925 1.00 0.00 WAT1 ATOM 4638 H1 TIP3 744 2.761 -43.085 27.019 1.00 0.00 WAT1 ATOM 4639 H2 TIP3 744 3.743 -43.986 26.251 1.00 0.00 WAT1 ATOM 4640 OH2 TIP3 745 2.661 -43.288 23.414 1.00 0.00 WAT1 ATOM 4641 H1 TIP3 745 1.976 -43.030 22.773 1.00 0.00 WAT1 ATOM 4642 H2 TIP3 745 3.508 -43.083 22.962 1.00 0.00 WAT1 ATOM 4643 OH2 TIP3 746 8.864 -39.260 26.898 1.00 0.00 WAT1 ATOM 4644 H1 TIP3 746 7.925 -38.960 26.834 1.00 0.00 WAT1 ATOM 4645 H2 TIP3 746 9.136 -39.386 25.961 1.00 0.00 WAT1 ATOM 4646 OH2 TIP3 747 8.070 -44.451 25.622 1.00 0.00 WAT1 ATOM 4647 H1 TIP3 747 7.334 -45.064 25.828 1.00 0.00 WAT1 ATOM 4648 H2 TIP3 747 7.769 -43.600 25.954 1.00 0.00 WAT1 ATOM 4649 OH2 TIP3 748 10.965 -38.754 28.612 1.00 0.00 WAT1 ATOM 4650 H1 TIP3 748 11.027 -37.800 28.817 1.00 0.00 WAT1 ATOM 4651 H2 TIP3 748 10.214 -38.816 27.984 1.00 0.00 WAT1 ATOM 4652 OH2 TIP3 749 12.045 -40.974 27.074 1.00 0.00 WAT1 ATOM 4653 H1 TIP3 749 12.260 -40.087 27.404 1.00 0.00 WAT1 ATOM 4654 H2 TIP3 749 11.219 -41.208 27.549 1.00 0.00 WAT1 ATOM 4655 OH2 TIP3 750 13.139 -32.989 24.816 1.00 0.00 WAT1 ATOM 4656 H1 TIP3 750 12.169 -32.902 24.948 1.00 0.00 WAT1 ATOM 4657 H2 TIP3 750 13.242 -33.882 24.419 1.00 0.00 WAT1 ATOM 4658 OH2 TIP3 751 11.174 -36.082 29.319 1.00 0.00 WAT1 ATOM 4659 H1 TIP3 751 11.734 -36.207 30.090 1.00 0.00 WAT1 ATOM 4660 H2 TIP3 751 11.194 -35.114 29.161 1.00 0.00 WAT1 ATOM 4661 OH2 TIP3 752 4.045 -39.922 23.291 1.00 0.00 WAT1 ATOM 4662 H1 TIP3 752 4.718 -40.028 22.596 1.00 0.00 WAT1 ATOM 4663 H2 TIP3 752 3.550 -39.111 23.020 1.00 0.00 WAT1 ATOM 4664 OH2 TIP3 753 8.263 -33.855 26.013 1.00 0.00 WAT1 ATOM 4665 H1 TIP3 753 8.228 -34.255 26.916 1.00 0.00 WAT1 ATOM 4666 H2 TIP3 753 8.108 -34.620 25.408 1.00 0.00 WAT1 ATOM 4667 OH2 TIP3 754 8.687 -34.836 28.488 1.00 0.00 WAT1 ATOM 4668 H1 TIP3 754 9.314 -34.268 28.968 1.00 0.00 WAT1 ATOM 4669 H2 TIP3 754 9.007 -35.733 28.652 1.00 0.00 WAT1 ATOM 4670 OH2 TIP3 755 1.841 -49.133 28.855 1.00 0.00 WAT1 ATOM 4671 H1 TIP3 755 2.148 -50.046 28.850 1.00 0.00 WAT1 ATOM 4672 H2 TIP3 755 2.622 -48.617 29.154 1.00 0.00 WAT1 ATOM 4673 OH2 TIP3 756 2.461 -38.463 26.351 1.00 0.00 WAT1 ATOM 4674 H1 TIP3 756 2.309 -38.285 25.390 1.00 0.00 WAT1 ATOM 4675 H2 TIP3 756 3.148 -39.158 26.358 1.00 0.00 WAT1 ATOM 4676 OH2 TIP3 757 0.079 -37.417 27.107 1.00 0.00 WAT1 ATOM 4677 H1 TIP3 757 1.036 -37.662 27.083 1.00 0.00 WAT1 ATOM 4678 H2 TIP3 757 -0.262 -37.727 26.247 1.00 0.00 WAT1 ATOM 4679 OH2 TIP3 758 8.280 -35.906 24.267 1.00 0.00 WAT1 ATOM 4680 H1 TIP3 758 8.283 -36.858 24.112 1.00 0.00 WAT1 ATOM 4681 H2 TIP3 758 8.891 -35.549 23.585 1.00 0.00 WAT1 ATOM 4682 OH2 TIP3 759 6.253 -38.548 26.531 1.00 0.00 WAT1 ATOM 4683 H1 TIP3 759 5.756 -37.775 26.243 1.00 0.00 WAT1 ATOM 4684 H2 TIP3 759 5.638 -39.300 26.380 1.00 0.00 WAT1 ATOM 4685 OH2 TIP3 760 10.936 -41.871 24.705 1.00 0.00 WAT1 ATOM 4686 H1 TIP3 760 10.392 -41.096 24.458 1.00 0.00 WAT1 ATOM 4687 H2 TIP3 760 11.436 -41.570 25.488 1.00 0.00 WAT1 ATOM 4688 OH2 TIP3 761 9.667 -31.819 27.337 1.00 0.00 WAT1 ATOM 4689 H1 TIP3 761 9.064 -32.452 26.897 1.00 0.00 WAT1 ATOM 4690 H2 TIP3 761 9.766 -31.104 26.699 1.00 0.00 WAT1 ATOM 4691 OH2 TIP3 762 11.669 -47.001 20.894 1.00 0.00 WAT1 ATOM 4692 H1 TIP3 762 12.525 -47.483 20.919 1.00 0.00 WAT1 ATOM 4693 H2 TIP3 762 11.659 -46.592 20.000 1.00 0.00 WAT1 ATOM 4694 OH2 TIP3 763 -0.128 -31.407 26.773 1.00 0.00 WAT1 ATOM 4695 H1 TIP3 763 -1.095 -31.380 26.565 1.00 0.00 WAT1 ATOM 4696 H2 TIP3 763 -0.097 -31.617 27.713 1.00 0.00 WAT1 ATOM 4697 OH2 TIP3 764 3.486 -45.331 24.996 1.00 0.00 WAT1 ATOM 4698 H1 TIP3 764 3.132 -44.627 24.402 1.00 0.00 WAT1 ATOM 4699 H2 TIP3 764 3.532 -46.129 24.422 1.00 0.00 WAT1 ATOM 4700 OH2 TIP3 765 4.990 -45.434 28.631 1.00 0.00 WAT1 ATOM 4701 H1 TIP3 765 4.560 -44.585 28.447 1.00 0.00 WAT1 ATOM 4702 H2 TIP3 765 5.436 -45.663 27.789 1.00 0.00 WAT1 ATOM 4703 OH2 TIP3 766 7.636 -32.036 23.274 1.00 0.00 WAT1 ATOM 4704 H1 TIP3 766 8.273 -32.458 22.634 1.00 0.00 WAT1 ATOM 4705 H2 TIP3 766 7.739 -32.554 24.083 1.00 0.00 WAT1 ATOM 4706 OH2 TIP3 767 1.114 -32.998 24.907 1.00 0.00 WAT1 ATOM 4707 H1 TIP3 767 0.690 -32.423 25.580 1.00 0.00 WAT1 ATOM 4708 H2 TIP3 767 1.201 -33.853 25.344 1.00 0.00 WAT1 ATOM 4709 OH2 TIP3 768 5.667 -22.339 -17.835 1.00 0.00 WAT1 ATOM 4710 H1 TIP3 768 5.441 -21.662 -18.478 1.00 0.00 WAT1 ATOM 4711 H2 TIP3 768 6.135 -21.848 -17.127 1.00 0.00 WAT1 ATOM 4712 OH2 TIP3 769 7.876 -30.843 -20.166 1.00 0.00 WAT1 ATOM 4713 H1 TIP3 769 8.370 -31.138 -20.958 1.00 0.00 WAT1 ATOM 4714 H2 TIP3 769 6.976 -30.656 -20.500 1.00 0.00 WAT1 ATOM 4715 OH2 TIP3 770 -1.408 -24.280 -16.451 1.00 0.00 WAT1 ATOM 4716 H1 TIP3 770 -0.900 -24.896 -17.028 1.00 0.00 WAT1 ATOM 4717 H2 TIP3 770 -2.166 -24.025 -16.989 1.00 0.00 WAT1 ATOM 4718 OH2 TIP3 771 3.992 -27.731 -19.287 1.00 0.00 WAT1 ATOM 4719 H1 TIP3 771 4.347 -27.493 -18.417 1.00 0.00 WAT1 ATOM 4720 H2 TIP3 771 3.760 -26.882 -19.688 1.00 0.00 WAT1 ATOM 4721 OH2 TIP3 772 12.730 -28.032 -20.122 1.00 0.00 WAT1 ATOM 4722 H1 TIP3 772 11.814 -28.175 -20.456 1.00 0.00 WAT1 ATOM 4723 H2 TIP3 772 13.152 -27.506 -20.808 1.00 0.00 WAT1 ATOM 4724 OH2 TIP3 773 6.398 -28.766 -22.700 1.00 0.00 WAT1 ATOM 4725 H1 TIP3 773 6.103 -28.268 -23.468 1.00 0.00 WAT1 ATOM 4726 H2 TIP3 773 7.328 -28.999 -22.907 1.00 0.00 WAT1 ATOM 4727 OH2 TIP3 774 8.129 -26.070 -15.682 1.00 0.00 WAT1 ATOM 4728 H1 TIP3 774 7.559 -25.695 -16.368 1.00 0.00 WAT1 ATOM 4729 H2 TIP3 774 8.745 -26.662 -16.181 1.00 0.00 WAT1 ATOM 4730 OH2 TIP3 775 6.817 -20.583 -16.012 1.00 0.00 WAT1 ATOM 4731 H1 TIP3 775 6.976 -19.639 -15.811 1.00 0.00 WAT1 ATOM 4732 H2 TIP3 775 6.227 -20.889 -15.281 1.00 0.00 WAT1 ATOM 4733 OH2 TIP3 776 3.163 -21.507 -12.301 1.00 0.00 WAT1 ATOM 4734 H1 TIP3 776 3.095 -20.857 -11.573 1.00 0.00 WAT1 ATOM 4735 H2 TIP3 776 2.295 -21.960 -12.295 1.00 0.00 WAT1 ATOM 4736 OH2 TIP3 777 13.464 -24.334 -13.162 1.00 0.00 WAT1 ATOM 4737 H1 TIP3 777 13.982 -24.674 -13.898 1.00 0.00 WAT1 ATOM 4738 H2 TIP3 777 12.680 -23.932 -13.584 1.00 0.00 WAT1 ATOM 4739 OH2 TIP3 778 6.180 -31.461 -16.913 1.00 0.00 WAT1 ATOM 4740 H1 TIP3 778 5.235 -31.607 -17.046 1.00 0.00 WAT1 ATOM 4741 H2 TIP3 778 6.610 -32.128 -17.496 1.00 0.00 WAT1 ATOM 4742 OH2 TIP3 779 8.775 -28.429 -13.941 1.00 0.00 WAT1 ATOM 4743 H1 TIP3 779 8.047 -29.067 -14.127 1.00 0.00 WAT1 ATOM 4744 H2 TIP3 779 8.562 -27.662 -14.497 1.00 0.00 WAT1 ATOM 4745 OH2 TIP3 780 4.882 -24.982 -17.421 1.00 0.00 WAT1 ATOM 4746 H1 TIP3 780 3.907 -24.906 -17.309 1.00 0.00 WAT1 ATOM 4747 H2 TIP3 780 5.162 -24.079 -17.698 1.00 0.00 WAT1 ATOM 4748 OH2 TIP3 781 2.188 -24.682 -17.018 1.00 0.00 WAT1 ATOM 4749 H1 TIP3 781 1.722 -24.005 -16.519 1.00 0.00 WAT1 ATOM 4750 H2 TIP3 781 1.474 -25.234 -17.396 1.00 0.00 WAT1 ATOM 4751 OH2 TIP3 782 5.120 -29.966 -20.638 1.00 0.00 WAT1 ATOM 4752 H1 TIP3 782 4.777 -29.245 -20.073 1.00 0.00 WAT1 ATOM 4753 H2 TIP3 782 5.495 -29.499 -21.421 1.00 0.00 WAT1 ATOM 4754 OH2 TIP3 783 9.818 -27.631 -17.048 1.00 0.00 WAT1 ATOM 4755 H1 TIP3 783 10.767 -27.843 -17.183 1.00 0.00 WAT1 ATOM 4756 H2 TIP3 783 9.352 -28.476 -17.254 1.00 0.00 WAT1 ATOM 4757 OH2 TIP3 784 10.195 -28.348 -21.043 1.00 0.00 WAT1 ATOM 4758 H1 TIP3 784 9.451 -28.166 -20.459 1.00 0.00 WAT1 ATOM 4759 H2 TIP3 784 9.780 -28.682 -21.862 1.00 0.00 WAT1 ATOM 4760 OH2 TIP3 785 3.312 -18.626 -13.058 1.00 0.00 WAT1 ATOM 4761 H1 TIP3 785 2.915 -18.831 -12.192 1.00 0.00 WAT1 ATOM 4762 H2 TIP3 785 3.266 -19.461 -13.543 1.00 0.00 WAT1 ATOM 4763 OH2 TIP3 786 6.864 -30.247 -14.578 1.00 0.00 WAT1 ATOM 4764 H1 TIP3 786 6.539 -30.683 -15.393 1.00 0.00 WAT1 ATOM 4765 H2 TIP3 786 6.242 -30.544 -13.884 1.00 0.00 WAT1 ATOM 4766 OH2 TIP3 787 11.211 -23.293 -14.491 1.00 0.00 WAT1 ATOM 4767 H1 TIP3 787 10.513 -22.639 -14.738 1.00 0.00 WAT1 ATOM 4768 H2 TIP3 787 11.316 -23.851 -15.296 1.00 0.00 WAT1 ATOM 4769 OH2 TIP3 788 0.605 -22.473 -12.007 1.00 0.00 WAT1 ATOM 4770 H1 TIP3 788 0.477 -23.423 -11.799 1.00 0.00 WAT1 ATOM 4771 H2 TIP3 788 -0.163 -22.245 -12.557 1.00 0.00 WAT1 ATOM 4772 OH2 TIP3 789 8.487 -29.929 -17.646 1.00 0.00 WAT1 ATOM 4773 H1 TIP3 789 8.382 -30.215 -18.577 1.00 0.00 WAT1 ATOM 4774 H2 TIP3 789 7.653 -30.193 -17.223 1.00 0.00 WAT1 ATOM 4775 OH2 TIP3 790 5.766 -24.337 -14.890 1.00 0.00 WAT1 ATOM 4776 H1 TIP3 790 5.399 -24.613 -15.757 1.00 0.00 WAT1 ATOM 4777 H2 TIP3 790 6.513 -24.932 -14.749 1.00 0.00 WAT1 ATOM 4778 OH2 TIP3 791 11.568 -25.411 -16.350 1.00 0.00 WAT1 ATOM 4779 H1 TIP3 791 10.752 -25.842 -16.648 1.00 0.00 WAT1 ATOM 4780 H2 TIP3 791 12.263 -26.058 -16.556 1.00 0.00 WAT1 ATOM 4781 OH2 TIP3 792 7.448 -33.096 -18.668 1.00 0.00 WAT1 ATOM 4782 H1 TIP3 792 7.691 -32.328 -19.231 1.00 0.00 WAT1 ATOM 4783 H2 TIP3 792 8.286 -33.605 -18.580 1.00 0.00 WAT1 ATOM 4784 OH2 TIP3 793 -1.747 -21.066 -13.248 1.00 0.00 WAT1 ATOM 4785 H1 TIP3 793 -2.068 -20.459 -13.924 1.00 0.00 WAT1 ATOM 4786 H2 TIP3 793 -2.191 -21.918 -13.462 1.00 0.00 WAT1 ATOM 4787 OH2 TIP3 794 7.988 -19.528 -13.024 1.00 0.00 WAT1 ATOM 4788 H1 TIP3 794 8.048 -19.010 -13.853 1.00 0.00 WAT1 ATOM 4789 H2 TIP3 794 7.148 -19.217 -12.613 1.00 0.00 WAT1 ATOM 4790 OH2 TIP3 795 11.454 -21.215 -12.459 1.00 0.00 WAT1 ATOM 4791 H1 TIP3 795 11.570 -21.969 -13.064 1.00 0.00 WAT1 ATOM 4792 H2 TIP3 795 10.806 -20.654 -12.902 1.00 0.00 WAT1 ATOM 4793 OH2 TIP3 796 -0.110 -25.200 -11.746 1.00 0.00 WAT1 ATOM 4794 H1 TIP3 796 -0.294 -25.489 -12.672 1.00 0.00 WAT1 ATOM 4795 H2 TIP3 796 0.149 -26.032 -11.286 1.00 0.00 WAT1 ATOM 4796 OH2 TIP3 797 5.235 -21.702 -14.122 1.00 0.00 WAT1 ATOM 4797 H1 TIP3 797 4.514 -21.663 -13.458 1.00 0.00 WAT1 ATOM 4798 H2 TIP3 797 5.304 -22.654 -14.347 1.00 0.00 WAT1 ATOM 4799 OH2 TIP3 798 9.194 -21.392 -14.745 1.00 0.00 WAT1 ATOM 4800 H1 TIP3 798 8.814 -20.876 -14.008 1.00 0.00 WAT1 ATOM 4801 H2 TIP3 798 8.543 -21.284 -15.466 1.00 0.00 WAT1 ATOM 4802 OH2 TIP3 799 10.381 -23.317 -9.063 1.00 0.00 WAT1 ATOM 4803 H1 TIP3 799 10.099 -24.196 -8.753 1.00 0.00 WAT1 ATOM 4804 H2 TIP3 799 9.602 -22.967 -9.529 1.00 0.00 WAT1 ATOM 4805 OH2 TIP3 800 12.629 -20.311 -10.154 1.00 0.00 WAT1 ATOM 4806 H1 TIP3 800 13.403 -19.952 -10.599 1.00 0.00 WAT1 ATOM 4807 H2 TIP3 800 12.103 -20.720 -10.882 1.00 0.00 WAT1 ATOM 4808 OH2 TIP3 801 0.469 -27.710 -10.741 1.00 0.00 WAT1 ATOM 4809 H1 TIP3 801 0.992 -27.973 -9.958 1.00 0.00 WAT1 ATOM 4810 H2 TIP3 801 0.184 -28.557 -11.134 1.00 0.00 WAT1 ATOM 4811 OH2 TIP3 802 16.964 -29.818 -9.161 1.00 0.00 WAT1 ATOM 4812 H1 TIP3 802 16.055 -30.024 -8.851 1.00 0.00 WAT1 ATOM 4813 H2 TIP3 802 16.865 -28.978 -9.643 1.00 0.00 WAT1 ATOM 4814 OH2 TIP3 803 1.783 -29.036 -20.606 1.00 0.00 WAT1 ATOM 4815 H1 TIP3 803 2.048 -29.948 -20.832 1.00 0.00 WAT1 ATOM 4816 H2 TIP3 803 2.511 -28.707 -20.049 1.00 0.00 WAT1 ATOM 4817 OH2 TIP3 804 -0.394 -27.460 -20.291 1.00 0.00 WAT1 ATOM 4818 H1 TIP3 804 0.376 -28.067 -20.397 1.00 0.00 WAT1 ATOM 4819 H2 TIP3 804 -0.875 -27.546 -21.118 1.00 0.00 WAT1 ATOM 4820 OH2 TIP3 805 11.682 -29.339 -12.553 1.00 0.00 WAT1 ATOM 4821 H1 TIP3 805 12.045 -29.608 -13.425 1.00 0.00 WAT1 ATOM 4822 H2 TIP3 805 12.301 -29.751 -11.906 1.00 0.00 WAT1 ATOM 4823 OH2 TIP3 806 13.442 -30.789 -11.033 1.00 0.00 WAT1 ATOM 4824 H1 TIP3 806 13.879 -30.595 -10.181 1.00 0.00 WAT1 ATOM 4825 H2 TIP3 806 13.717 -31.705 -11.239 1.00 0.00 WAT1 ATOM 4826 OH2 TIP3 807 12.569 -31.777 -19.502 1.00 0.00 WAT1 ATOM 4827 H1 TIP3 807 12.008 -31.008 -19.662 1.00 0.00 WAT1 ATOM 4828 H2 TIP3 807 12.346 -32.389 -20.228 1.00 0.00 WAT1 ATOM 4829 OH2 TIP3 808 2.888 -31.584 -21.177 1.00 0.00 WAT1 ATOM 4830 H1 TIP3 808 3.701 -31.058 -21.015 1.00 0.00 WAT1 ATOM 4831 H2 TIP3 808 3.221 -32.503 -21.294 1.00 0.00 WAT1 ATOM 4832 OH2 TIP3 809 9.004 -29.476 -23.276 1.00 0.00 WAT1 ATOM 4833 H1 TIP3 809 9.460 -29.446 -24.123 1.00 0.00 WAT1 ATOM 4834 H2 TIP3 809 9.156 -30.397 -22.952 1.00 0.00 WAT1 ATOM 4835 OH2 TIP3 810 8.197 -15.649 -5.066 1.00 0.00 WAT1 ATOM 4836 H1 TIP3 810 8.929 -15.834 -4.438 1.00 0.00 WAT1 ATOM 4837 H2 TIP3 810 8.390 -16.218 -5.832 1.00 0.00 WAT1 ATOM 4838 OH2 TIP3 811 9.916 -20.978 -0.067 1.00 0.00 WAT1 ATOM 4839 H1 TIP3 811 10.657 -21.013 0.574 1.00 0.00 WAT1 ATOM 4840 H2 TIP3 811 10.323 -21.194 -0.911 1.00 0.00 WAT1 ATOM 4841 OH2 TIP3 812 10.487 -13.318 -0.425 1.00 0.00 WAT1 ATOM 4842 H1 TIP3 812 11.176 -13.607 -1.068 1.00 0.00 WAT1 ATOM 4843 H2 TIP3 812 9.645 -13.407 -0.926 1.00 0.00 WAT1 ATOM 4844 OH2 TIP3 813 9.219 -16.897 -7.513 1.00 0.00 WAT1 ATOM 4845 H1 TIP3 813 9.762 -17.596 -7.943 1.00 0.00 WAT1 ATOM 4846 H2 TIP3 813 9.879 -16.202 -7.272 1.00 0.00 WAT1 ATOM 4847 OH2 TIP3 814 10.229 -16.006 -3.227 1.00 0.00 WAT1 ATOM 4848 H1 TIP3 814 10.802 -16.781 -3.450 1.00 0.00 WAT1 ATOM 4849 H2 TIP3 814 10.865 -15.298 -3.007 1.00 0.00 WAT1 ATOM 4850 OH2 TIP3 815 11.846 -18.039 -3.899 1.00 0.00 WAT1 ATOM 4851 H1 TIP3 815 11.570 -18.461 -4.750 1.00 0.00 WAT1 ATOM 4852 H2 TIP3 815 12.770 -18.285 -3.806 1.00 0.00 WAT1 ATOM 4853 OH2 TIP3 816 11.258 -19.372 -6.154 1.00 0.00 WAT1 ATOM 4854 H1 TIP3 816 11.035 -19.082 -7.063 1.00 0.00 WAT1 ATOM 4855 H2 TIP3 816 11.310 -20.330 -6.220 1.00 0.00 WAT1 ATOM 4856 OH2 TIP3 817 11.039 -15.010 -6.935 1.00 0.00 WAT1 ATOM 4857 H1 TIP3 817 10.476 -14.265 -6.639 1.00 0.00 WAT1 ATOM 4858 H2 TIP3 817 11.934 -14.732 -6.707 1.00 0.00 WAT1 ATOM 4859 OH2 TIP3 818 15.296 -28.161 -5.869 1.00 0.00 WAT1 ATOM 4860 H1 TIP3 818 15.187 -29.076 -5.529 1.00 0.00 WAT1 ATOM 4861 H2 TIP3 818 15.823 -27.716 -5.175 1.00 0.00 WAT1 ATOM 4862 OH2 TIP3 819 18.431 -16.944 5.706 1.00 0.00 WAT1 ATOM 4863 H1 TIP3 819 18.335 -16.353 4.935 1.00 0.00 WAT1 ATOM 4864 H2 TIP3 819 17.644 -16.757 6.250 1.00 0.00 WAT1 ATOM 4865 OH2 TIP3 820 7.230 -12.151 -7.189 1.00 0.00 WAT1 ATOM 4866 H1 TIP3 820 7.106 -11.979 -8.126 1.00 0.00 WAT1 ATOM 4867 H2 TIP3 820 6.521 -12.788 -6.965 1.00 0.00 WAT1 ATOM 4868 OH2 TIP3 821 4.833 -16.592 -7.443 1.00 0.00 WAT1 ATOM 4869 H1 TIP3 821 4.458 -17.015 -6.646 1.00 0.00 WAT1 ATOM 4870 H2 TIP3 821 4.703 -17.261 -8.150 1.00 0.00 WAT1 ATOM 4871 OH2 TIP3 822 12.706 -8.714 -5.133 1.00 0.00 WAT1 ATOM 4872 H1 TIP3 822 12.664 -7.755 -5.151 1.00 0.00 WAT1 ATOM 4873 H2 TIP3 822 12.764 -8.935 -4.178 1.00 0.00 WAT1 ATOM 4874 OH2 TIP3 823 9.685 -25.369 -13.485 1.00 0.00 WAT1 ATOM 4875 H1 TIP3 823 9.145 -25.526 -14.287 1.00 0.00 WAT1 ATOM 4876 H2 TIP3 823 10.290 -24.646 -13.741 1.00 0.00 WAT1 ATOM 4877 OH2 TIP3 824 10.794 -25.836 -5.569 1.00 0.00 WAT1 ATOM 4878 H1 TIP3 824 11.771 -25.752 -5.462 1.00 0.00 WAT1 ATOM 4879 H2 TIP3 824 10.436 -25.261 -4.888 1.00 0.00 WAT1 ATOM 4880 OH2 TIP3 825 0.369 -24.965 -4.144 1.00 0.00 WAT1 ATOM 4881 H1 TIP3 825 -0.202 -24.265 -3.775 1.00 0.00 WAT1 ATOM 4882 H2 TIP3 825 0.069 -25.054 -5.075 1.00 0.00 WAT1 ATOM 4883 OH2 TIP3 826 2.098 -28.524 -8.603 1.00 0.00 WAT1 ATOM 4884 H1 TIP3 826 2.364 -29.473 -8.726 1.00 0.00 WAT1 ATOM 4885 H2 TIP3 826 2.924 -28.023 -8.768 1.00 0.00 WAT1 ATOM 4886 OH2 TIP3 827 7.502 -24.870 -7.071 1.00 0.00 WAT1 ATOM 4887 H1 TIP3 827 8.313 -25.228 -7.483 1.00 0.00 WAT1 ATOM 4888 H2 TIP3 827 7.806 -24.098 -6.581 1.00 0.00 WAT1 ATOM 4889 OH2 TIP3 828 15.885 -16.519 6.922 1.00 0.00 WAT1 ATOM 4890 H1 TIP3 828 15.557 -15.607 7.117 1.00 0.00 WAT1 ATOM 4891 H2 TIP3 828 15.132 -17.096 7.163 1.00 0.00 WAT1 ATOM 4892 OH2 TIP3 829 9.912 -25.903 -8.134 1.00 0.00 WAT1 ATOM 4893 H1 TIP3 829 10.677 -26.132 -8.706 1.00 0.00 WAT1 ATOM 4894 H2 TIP3 829 10.279 -25.943 -7.218 1.00 0.00 WAT1 ATOM 4895 OH2 TIP3 830 9.190 -16.237 -10.872 1.00 0.00 WAT1 ATOM 4896 H1 TIP3 830 9.989 -16.319 -10.342 1.00 0.00 WAT1 ATOM 4897 H2 TIP3 830 8.483 -16.088 -10.220 1.00 0.00 WAT1 ATOM 4898 OH2 TIP3 831 9.602 -16.893 2.950 1.00 0.00 WAT1 ATOM 4899 H1 TIP3 831 9.976 -16.066 2.590 1.00 0.00 WAT1 ATOM 4900 H2 TIP3 831 9.724 -16.807 3.916 1.00 0.00 WAT1 ATOM 4901 OH2 TIP3 832 14.145 -25.071 -10.633 1.00 0.00 WAT1 ATOM 4902 H1 TIP3 832 13.959 -24.803 -11.566 1.00 0.00 WAT1 ATOM 4903 H2 TIP3 832 13.900 -24.279 -10.106 1.00 0.00 WAT1 ATOM 4904 OH2 TIP3 833 16.191 -19.791 5.181 1.00 0.00 WAT1 ATOM 4905 H1 TIP3 833 15.865 -18.961 4.772 1.00 0.00 WAT1 ATOM 4906 H2 TIP3 833 15.785 -19.798 6.060 1.00 0.00 WAT1 ATOM 4907 OH2 TIP3 834 0.061 -25.061 -6.865 1.00 0.00 WAT1 ATOM 4908 H1 TIP3 834 0.916 -25.018 -7.349 1.00 0.00 WAT1 ATOM 4909 H2 TIP3 834 -0.392 -24.232 -7.117 1.00 0.00 WAT1 ATOM 4910 OH2 TIP3 835 5.367 -14.037 -6.411 1.00 0.00 WAT1 ATOM 4911 H1 TIP3 835 5.098 -14.890 -6.814 1.00 0.00 WAT1 ATOM 4912 H2 TIP3 835 5.817 -14.295 -5.589 1.00 0.00 WAT1 ATOM 4913 OH2 TIP3 836 8.738 -19.828 -10.409 1.00 0.00 WAT1 ATOM 4914 H1 TIP3 836 8.604 -19.577 -11.349 1.00 0.00 WAT1 ATOM 4915 H2 TIP3 836 8.501 -20.775 -10.381 1.00 0.00 WAT1 ATOM 4916 OH2 TIP3 837 15.185 -17.838 1.625 1.00 0.00 WAT1 ATOM 4917 H1 TIP3 837 15.218 -17.657 2.584 1.00 0.00 WAT1 ATOM 4918 H2 TIP3 837 14.910 -18.781 1.569 1.00 0.00 WAT1 ATOM 4919 OH2 TIP3 838 10.657 -18.867 -8.785 1.00 0.00 WAT1 ATOM 4920 H1 TIP3 838 11.476 -19.264 -9.154 1.00 0.00 WAT1 ATOM 4921 H2 TIP3 838 9.942 -19.224 -9.363 1.00 0.00 WAT1 ATOM 4922 OH2 TIP3 839 7.720 -17.980 -15.306 1.00 0.00 WAT1 ATOM 4923 H1 TIP3 839 7.739 -17.283 -14.602 1.00 0.00 WAT1 ATOM 4924 H2 TIP3 839 7.954 -17.504 -16.109 1.00 0.00 WAT1 ATOM 4925 OH2 TIP3 840 7.343 -18.908 -8.242 1.00 0.00 WAT1 ATOM 4926 H1 TIP3 840 7.846 -19.236 -9.017 1.00 0.00 WAT1 ATOM 4927 H2 TIP3 840 7.923 -18.235 -7.849 1.00 0.00 WAT1 ATOM 4928 OH2 TIP3 841 5.966 -15.557 -11.465 1.00 0.00 WAT1 ATOM 4929 H1 TIP3 841 6.408 -15.610 -10.589 1.00 0.00 WAT1 ATOM 4930 H2 TIP3 841 5.226 -14.961 -11.321 1.00 0.00 WAT1 ATOM 4931 OH2 TIP3 842 7.102 -15.831 -8.960 1.00 0.00 WAT1 ATOM 4932 H1 TIP3 842 6.296 -16.041 -8.446 1.00 0.00 WAT1 ATOM 4933 H2 TIP3 842 7.835 -16.089 -8.363 1.00 0.00 WAT1 ATOM 4934 OH2 TIP3 843 4.917 -18.587 -9.336 1.00 0.00 WAT1 ATOM 4935 H1 TIP3 843 5.721 -18.837 -8.821 1.00 0.00 WAT1 ATOM 4936 H2 TIP3 843 5.249 -18.481 -10.254 1.00 0.00 WAT1 ATOM 4937 OH2 TIP3 844 12.782 -9.558 -2.516 1.00 0.00 WAT1 ATOM 4938 H1 TIP3 844 12.573 -10.489 -2.650 1.00 0.00 WAT1 ATOM 4939 H2 TIP3 844 13.023 -9.499 -1.571 1.00 0.00 WAT1 ATOM 4940 OH2 TIP3 845 0.783 -18.078 -6.480 1.00 0.00 WAT1 ATOM 4941 H1 TIP3 845 -0.011 -18.605 -6.334 1.00 0.00 WAT1 ATOM 4942 H2 TIP3 845 0.821 -17.971 -7.454 1.00 0.00 WAT1 ATOM 4943 OH2 TIP3 846 9.957 -16.628 5.719 1.00 0.00 WAT1 ATOM 4944 H1 TIP3 846 10.512 -17.410 5.934 1.00 0.00 WAT1 ATOM 4945 H2 TIP3 846 9.125 -16.796 6.195 1.00 0.00 WAT1 ATOM 4946 OH2 TIP3 847 5.766 -18.270 -11.958 1.00 0.00 WAT1 ATOM 4947 H1 TIP3 847 4.941 -18.359 -12.488 1.00 0.00 WAT1 ATOM 4948 H2 TIP3 847 5.916 -17.304 -11.913 1.00 0.00 WAT1 ATOM 4949 OH2 TIP3 848 7.929 -16.211 -13.296 1.00 0.00 WAT1 ATOM 4950 H1 TIP3 848 7.152 -15.817 -12.858 1.00 0.00 WAT1 ATOM 4951 H2 TIP3 848 8.597 -16.272 -12.580 1.00 0.00 WAT1 ATOM 4952 OH2 TIP3 849 2.626 -19.471 -10.494 1.00 0.00 WAT1 ATOM 4953 H1 TIP3 849 3.444 -19.260 -9.988 1.00 0.00 WAT1 ATOM 4954 H2 TIP3 849 1.928 -18.967 -10.034 1.00 0.00 WAT1 ATOM 4955 OH2 TIP3 850 3.263 -17.776 -5.258 1.00 0.00 WAT1 ATOM 4956 H1 TIP3 850 3.014 -17.013 -4.688 1.00 0.00 WAT1 ATOM 4957 H2 TIP3 850 2.461 -17.942 -5.796 1.00 0.00 WAT1 ATOM 4958 OH2 TIP3 851 17.671 -16.883 1.111 1.00 0.00 WAT1 ATOM 4959 H1 TIP3 851 16.770 -17.265 1.033 1.00 0.00 WAT1 ATOM 4960 H2 TIP3 851 18.229 -17.640 1.385 1.00 0.00 WAT1 ATOM 4961 OH2 TIP3 852 13.285 -14.288 2.695 1.00 0.00 WAT1 ATOM 4962 H1 TIP3 852 13.741 -15.071 2.359 1.00 0.00 WAT1 ATOM 4963 H2 TIP3 852 12.340 -14.491 2.572 1.00 0.00 WAT1 ATOM 4964 OH2 TIP3 853 13.750 -18.185 7.736 1.00 0.00 WAT1 ATOM 4965 H1 TIP3 853 14.233 -18.993 8.016 1.00 0.00 WAT1 ATOM 4966 H2 TIP3 853 13.640 -17.674 8.566 1.00 0.00 WAT1 ATOM 4967 OH2 TIP3 854 18.274 -25.137 -12.444 1.00 0.00 WAT1 ATOM 4968 H1 TIP3 854 18.179 -24.392 -13.044 1.00 0.00 WAT1 ATOM 4969 H2 TIP3 854 19.221 -25.299 -12.412 1.00 0.00 WAT1 ATOM 4970 OH2 TIP3 855 13.133 -23.008 -9.082 1.00 0.00 WAT1 ATOM 4971 H1 TIP3 855 12.171 -23.198 -9.017 1.00 0.00 WAT1 ATOM 4972 H2 TIP3 855 13.169 -22.057 -9.289 1.00 0.00 WAT1 ATOM 4973 OH2 TIP3 856 16.277 -26.873 -10.214 1.00 0.00 WAT1 ATOM 4974 H1 TIP3 856 16.853 -26.540 -10.920 1.00 0.00 WAT1 ATOM 4975 H2 TIP3 856 15.440 -26.374 -10.337 1.00 0.00 WAT1 ATOM 4976 OH2 TIP3 857 13.395 -25.262 -4.968 1.00 0.00 WAT1 ATOM 4977 H1 TIP3 857 13.854 -24.994 -5.796 1.00 0.00 WAT1 ATOM 4978 H2 TIP3 857 14.036 -25.061 -4.271 1.00 0.00 WAT1 ATOM 4979 OH2 TIP3 858 12.049 -26.571 -9.730 1.00 0.00 WAT1 ATOM 4980 H1 TIP3 858 12.771 -26.034 -10.127 1.00 0.00 WAT1 ATOM 4981 H2 TIP3 858 12.502 -27.095 -9.030 1.00 0.00 WAT1 ATOM 4982 OH2 TIP3 859 16.145 -24.730 -4.089 1.00 0.00 WAT1 ATOM 4983 H1 TIP3 859 16.429 -25.665 -4.122 1.00 0.00 WAT1 ATOM 4984 H2 TIP3 859 16.128 -24.453 -5.019 1.00 0.00 WAT1 ATOM 4985 OH2 TIP3 860 13.124 -27.968 -7.553 1.00 0.00 WAT1 ATOM 4986 H1 TIP3 860 12.576 -28.631 -7.093 1.00 0.00 WAT1 ATOM 4987 H2 TIP3 860 13.855 -27.783 -6.921 1.00 0.00 WAT1 ATOM 4988 OH2 TIP3 861 2.498 -29.515 -5.249 1.00 0.00 WAT1 ATOM 4989 H1 TIP3 861 1.736 -28.950 -5.492 1.00 0.00 WAT1 ATOM 4990 H2 TIP3 861 2.617 -30.092 -6.016 1.00 0.00 WAT1 ATOM 4991 OH2 TIP3 862 13.028 -11.085 -6.428 1.00 0.00 WAT1 ATOM 4992 H1 TIP3 862 12.867 -10.235 -5.956 1.00 0.00 WAT1 ATOM 4993 H2 TIP3 862 13.504 -10.825 -7.221 1.00 0.00 WAT1 ATOM 4994 OH2 TIP3 863 1.781 -15.024 2.039 1.00 0.00 WAT1 ATOM 4995 H1 TIP3 863 1.886 -14.629 1.150 1.00 0.00 WAT1 ATOM 4996 H2 TIP3 863 1.218 -14.379 2.520 1.00 0.00 WAT1 ATOM 4997 OH2 TIP3 864 10.464 -14.300 2.158 1.00 0.00 WAT1 ATOM 4998 H1 TIP3 864 10.437 -13.432 2.608 1.00 0.00 WAT1 ATOM 4999 H2 TIP3 864 10.455 -14.072 1.204 1.00 0.00 WAT1 ATOM 5000 OH2 TIP3 865 0.243 -17.988 -3.592 1.00 0.00 WAT1 ATOM 5001 H1 TIP3 865 0.523 -17.280 -2.986 1.00 0.00 WAT1 ATOM 5002 H2 TIP3 865 0.595 -17.716 -4.457 1.00 0.00 WAT1 ATOM 5003 OH2 TIP3 866 2.139 -33.315 -11.374 1.00 0.00 WAT1 ATOM 5004 H1 TIP3 866 2.877 -33.250 -10.708 1.00 0.00 WAT1 ATOM 5005 H2 TIP3 866 1.354 -33.017 -10.877 1.00 0.00 WAT1 ATOM 5006 OH2 TIP3 867 0.523 -18.021 -9.301 1.00 0.00 WAT1 ATOM 5007 H1 TIP3 867 0.262 -17.177 -9.688 1.00 0.00 WAT1 ATOM 5008 H2 TIP3 867 0.064 -18.693 -9.855 1.00 0.00 WAT1 ATOM 5009 OH2 TIP3 868 15.714 -17.182 4.264 1.00 0.00 WAT1 ATOM 5010 H1 TIP3 868 16.391 -16.592 3.874 1.00 0.00 WAT1 ATOM 5011 H2 TIP3 868 15.606 -16.845 5.175 1.00 0.00 WAT1 ATOM 5012 OH2 TIP3 869 15.919 -22.718 13.224 1.00 0.00 WAT1 ATOM 5013 H1 TIP3 869 16.764 -22.952 13.624 1.00 0.00 WAT1 ATOM 5014 H2 TIP3 869 15.313 -22.642 13.973 1.00 0.00 WAT1 ATOM 5015 OH2 TIP3 870 10.635 -15.328 12.034 1.00 0.00 WAT1 ATOM 5016 H1 TIP3 870 11.215 -15.208 11.261 1.00 0.00 WAT1 ATOM 5017 H2 TIP3 870 10.551 -14.428 12.411 1.00 0.00 WAT1 ATOM 5018 OH2 TIP3 871 17.401 -31.053 18.355 1.00 0.00 WAT1 ATOM 5019 H1 TIP3 871 17.685 -31.009 17.417 1.00 0.00 WAT1 ATOM 5020 H2 TIP3 871 17.831 -30.275 18.771 1.00 0.00 WAT1 ATOM 5021 OH2 TIP3 872 14.003 -28.073 17.871 1.00 0.00 WAT1 ATOM 5022 H1 TIP3 872 14.384 -27.364 18.420 1.00 0.00 WAT1 ATOM 5023 H2 TIP3 872 13.154 -27.713 17.571 1.00 0.00 WAT1 ATOM 5024 OH2 TIP3 873 7.633 -19.317 10.612 1.00 0.00 WAT1 ATOM 5025 H1 TIP3 873 7.478 -19.388 9.652 1.00 0.00 WAT1 ATOM 5026 H2 TIP3 873 8.052 -18.434 10.721 1.00 0.00 WAT1 ATOM 5027 OH2 TIP3 874 12.243 -22.470 16.064 1.00 0.00 WAT1 ATOM 5028 H1 TIP3 874 12.579 -23.360 16.287 1.00 0.00 WAT1 ATOM 5029 H2 TIP3 874 12.189 -22.014 16.926 1.00 0.00 WAT1 ATOM 5030 OH2 TIP3 875 9.182 -19.122 13.378 1.00 0.00 WAT1 ATOM 5031 H1 TIP3 875 10.135 -19.048 13.240 1.00 0.00 WAT1 ATOM 5032 H2 TIP3 875 9.095 -19.353 14.336 1.00 0.00 WAT1 ATOM 5033 OH2 TIP3 876 12.380 -21.523 11.764 1.00 0.00 WAT1 ATOM 5034 H1 TIP3 876 11.871 -22.202 11.288 1.00 0.00 WAT1 ATOM 5035 H2 TIP3 876 11.912 -21.428 12.615 1.00 0.00 WAT1 ATOM 5036 OH2 TIP3 877 14.469 -20.379 19.389 1.00 0.00 WAT1 ATOM 5037 H1 TIP3 877 14.952 -19.613 19.709 1.00 0.00 WAT1 ATOM 5038 H2 TIP3 877 15.147 -21.093 19.349 1.00 0.00 WAT1 ATOM 5039 OH2 TIP3 878 8.839 -24.701 19.715 1.00 0.00 WAT1 ATOM 5040 H1 TIP3 878 9.629 -24.242 19.374 1.00 0.00 WAT1 ATOM 5041 H2 TIP3 878 9.194 -25.314 20.383 1.00 0.00 WAT1 ATOM 5042 OH2 TIP3 879 8.870 -19.734 16.018 1.00 0.00 WAT1 ATOM 5043 H1 TIP3 879 8.696 -18.982 16.621 1.00 0.00 WAT1 ATOM 5044 H2 TIP3 879 8.694 -20.524 16.569 1.00 0.00 WAT1 ATOM 5045 OH2 TIP3 880 2.673 -19.709 20.800 1.00 0.00 WAT1 ATOM 5046 H1 TIP3 880 2.881 -20.390 20.127 1.00 0.00 WAT1 ATOM 5047 H2 TIP3 880 3.442 -19.740 21.410 1.00 0.00 WAT1 ATOM 5048 OH2 TIP3 881 13.865 -16.873 10.160 1.00 0.00 WAT1 ATOM 5049 H1 TIP3 881 13.702 -17.250 11.035 1.00 0.00 WAT1 ATOM 5050 H2 TIP3 881 14.833 -16.998 10.022 1.00 0.00 WAT1 ATOM 5051 OH2 TIP3 882 6.115 -19.400 19.015 1.00 0.00 WAT1 ATOM 5052 H1 TIP3 882 6.130 -19.450 19.982 1.00 0.00 WAT1 ATOM 5053 H2 TIP3 882 6.041 -20.334 18.729 1.00 0.00 WAT1 ATOM 5054 OH2 TIP3 883 9.116 -15.075 9.041 1.00 0.00 WAT1 ATOM 5055 H1 TIP3 883 10.084 -15.047 9.158 1.00 0.00 WAT1 ATOM 5056 H2 TIP3 883 8.846 -14.129 9.038 1.00 0.00 WAT1 ATOM 5057 OH2 TIP3 884 11.929 -15.019 9.529 1.00 0.00 WAT1 ATOM 5058 H1 TIP3 884 11.976 -14.976 8.545 1.00 0.00 WAT1 ATOM 5059 H2 TIP3 884 12.659 -15.634 9.774 1.00 0.00 WAT1 ATOM 5060 OH2 TIP3 885 10.954 -25.658 21.253 1.00 0.00 WAT1 ATOM 5061 H1 TIP3 885 11.774 -26.136 21.488 1.00 0.00 WAT1 ATOM 5062 H2 TIP3 885 11.226 -25.064 20.522 1.00 0.00 WAT1 ATOM 5063 OH2 TIP3 886 12.971 -25.025 16.898 1.00 0.00 WAT1 ATOM 5064 H1 TIP3 886 12.497 -25.834 16.634 1.00 0.00 WAT1 ATOM 5065 H2 TIP3 886 13.884 -25.155 16.548 1.00 0.00 WAT1 ATOM 5066 OH2 TIP3 887 6.446 -23.793 22.688 1.00 0.00 WAT1 ATOM 5067 H1 TIP3 887 6.301 -24.599 22.173 1.00 0.00 WAT1 ATOM 5068 H2 TIP3 887 6.975 -24.093 23.461 1.00 0.00 WAT1 ATOM 5069 OH2 TIP3 888 2.394 -21.590 23.679 1.00 0.00 WAT1 ATOM 5070 H1 TIP3 888 1.740 -21.491 24.388 1.00 0.00 WAT1 ATOM 5071 H2 TIP3 888 3.242 -21.716 24.147 1.00 0.00 WAT1 ATOM 5072 OH2 TIP3 889 12.043 -21.370 18.612 1.00 0.00 WAT1 ATOM 5073 H1 TIP3 889 11.451 -20.592 18.607 1.00 0.00 WAT1 ATOM 5074 H2 TIP3 889 12.919 -21.003 18.888 1.00 0.00 WAT1 ATOM 5075 OH2 TIP3 890 5.734 -22.004 18.063 1.00 0.00 WAT1 ATOM 5076 H1 TIP3 890 5.450 -22.152 17.132 1.00 0.00 WAT1 ATOM 5077 H2 TIP3 890 4.890 -21.971 18.570 1.00 0.00 WAT1 ATOM 5078 OH2 TIP3 891 7.264 -20.879 7.819 1.00 0.00 WAT1 ATOM 5079 H1 TIP3 891 6.731 -21.427 8.425 1.00 0.00 WAT1 ATOM 5080 H2 TIP3 891 7.219 -21.356 6.966 1.00 0.00 WAT1 ATOM 5081 OH2 TIP3 892 8.418 -21.924 17.690 1.00 0.00 WAT1 ATOM 5082 H1 TIP3 892 7.460 -21.943 17.916 1.00 0.00 WAT1 ATOM 5083 H2 TIP3 892 8.866 -21.933 18.558 1.00 0.00 WAT1 ATOM 5084 OH2 TIP3 893 8.059 -17.865 17.884 1.00 0.00 WAT1 ATOM 5085 H1 TIP3 893 7.319 -18.377 18.285 1.00 0.00 WAT1 ATOM 5086 H2 TIP3 893 7.674 -16.974 17.728 1.00 0.00 WAT1 ATOM 5087 OH2 TIP3 894 17.821 -21.532 8.469 1.00 0.00 WAT1 ATOM 5088 H1 TIP3 894 17.862 -21.817 7.527 1.00 0.00 WAT1 ATOM 5089 H2 TIP3 894 17.004 -20.999 8.518 1.00 0.00 WAT1 ATOM 5090 OH2 TIP3 895 10.674 -21.530 14.091 1.00 0.00 WAT1 ATOM 5091 H1 TIP3 895 9.907 -21.466 14.684 1.00 0.00 WAT1 ATOM 5092 H2 TIP3 895 11.401 -21.849 14.682 1.00 0.00 WAT1 ATOM 5093 OH2 TIP3 896 10.070 -12.732 12.795 1.00 0.00 WAT1 ATOM 5094 H1 TIP3 896 9.883 -12.090 12.087 1.00 0.00 WAT1 ATOM 5095 H2 TIP3 896 10.487 -12.206 13.489 1.00 0.00 WAT1 ATOM 5096 OH2 TIP3 897 8.073 -22.485 15.012 1.00 0.00 WAT1 ATOM 5097 H1 TIP3 897 7.088 -22.459 15.119 1.00 0.00 WAT1 ATOM 5098 H2 TIP3 897 8.408 -22.444 15.931 1.00 0.00 WAT1 ATOM 5099 OH2 TIP3 898 8.376 -18.409 7.310 1.00 0.00 WAT1 ATOM 5100 H1 TIP3 898 9.311 -18.681 7.251 1.00 0.00 WAT1 ATOM 5101 H2 TIP3 898 7.886 -19.255 7.406 1.00 0.00 WAT1 ATOM 5102 OH2 TIP3 899 14.977 -21.999 10.794 1.00 0.00 WAT1 ATOM 5103 H1 TIP3 899 14.042 -21.811 11.026 1.00 0.00 WAT1 ATOM 5104 H2 TIP3 899 15.411 -22.149 11.665 1.00 0.00 WAT1 ATOM 5105 OH2 TIP3 900 1.889 -16.000 24.718 1.00 0.00 WAT1 ATOM 5106 H1 TIP3 900 1.627 -15.628 25.586 1.00 0.00 WAT1 ATOM 5107 H2 TIP3 900 2.640 -16.582 24.922 1.00 0.00 WAT1 ATOM 5108 OH2 TIP3 901 3.565 -18.270 24.097 1.00 0.00 WAT1 ATOM 5109 H1 TIP3 901 3.949 -18.684 24.891 1.00 0.00 WAT1 ATOM 5110 H2 TIP3 901 4.060 -18.672 23.357 1.00 0.00 WAT1 ATOM 5111 OH2 TIP3 902 11.193 -18.851 6.765 1.00 0.00 WAT1 ATOM 5112 H1 TIP3 902 11.295 -19.767 6.480 1.00 0.00 WAT1 ATOM 5113 H2 TIP3 902 12.086 -18.598 7.086 1.00 0.00 WAT1 ATOM 5114 OH2 TIP3 903 3.374 -21.988 19.381 1.00 0.00 WAT1 ATOM 5115 H1 TIP3 903 2.652 -22.341 18.816 1.00 0.00 WAT1 ATOM 5116 H2 TIP3 903 3.338 -22.541 20.192 1.00 0.00 WAT1 ATOM 5117 OH2 TIP3 904 15.455 -20.099 8.770 1.00 0.00 WAT1 ATOM 5118 H1 TIP3 904 15.855 -19.336 9.241 1.00 0.00 WAT1 ATOM 5119 H2 TIP3 904 15.235 -20.738 9.485 1.00 0.00 WAT1 ATOM 5120 OH2 TIP3 905 10.329 -19.198 19.114 1.00 0.00 WAT1 ATOM 5121 H1 TIP3 905 10.913 -18.469 19.356 1.00 0.00 WAT1 ATOM 5122 H2 TIP3 905 9.578 -18.761 18.658 1.00 0.00 WAT1 ATOM 5123 OH2 TIP3 906 6.915 -21.432 21.191 1.00 0.00 WAT1 ATOM 5124 H1 TIP3 906 7.834 -21.478 20.850 1.00 0.00 WAT1 ATOM 5125 H2 TIP3 906 6.784 -22.294 21.635 1.00 0.00 WAT1 ATOM 5126 OH2 TIP3 907 9.359 -26.122 23.460 1.00 0.00 WAT1 ATOM 5127 H1 TIP3 907 9.936 -25.925 22.694 1.00 0.00 WAT1 ATOM 5128 H2 TIP3 907 9.183 -27.072 23.386 1.00 0.00 WAT1 ATOM 5129 OH2 TIP3 908 9.507 -21.565 20.240 1.00 0.00 WAT1 ATOM 5130 H1 TIP3 908 9.805 -20.682 19.932 1.00 0.00 WAT1 ATOM 5131 H2 TIP3 908 10.323 -22.015 20.495 1.00 0.00 WAT1 ATOM 5132 OH2 TIP3 909 4.836 -25.375 20.641 1.00 0.00 WAT1 ATOM 5133 H1 TIP3 909 4.484 -26.198 21.057 1.00 0.00 WAT1 ATOM 5134 H2 TIP3 909 4.325 -24.654 21.068 1.00 0.00 WAT1 ATOM 5135 OH2 TIP3 910 12.901 -29.550 22.470 1.00 0.00 WAT1 ATOM 5136 H1 TIP3 910 13.537 -30.263 22.681 1.00 0.00 WAT1 ATOM 5137 H2 TIP3 910 12.022 -29.952 22.653 1.00 0.00 WAT1 ATOM 5138 OH2 TIP3 911 6.674 -27.195 24.908 1.00 0.00 WAT1 ATOM 5139 H1 TIP3 911 5.979 -27.824 25.114 1.00 0.00 WAT1 ATOM 5140 H2 TIP3 911 7.364 -27.734 24.474 1.00 0.00 WAT1 ATOM 5141 OH2 TIP3 912 16.466 -22.243 19.472 1.00 0.00 WAT1 ATOM 5142 H1 TIP3 912 16.507 -23.127 19.052 1.00 0.00 WAT1 ATOM 5143 H2 TIP3 912 17.316 -22.151 19.909 1.00 0.00 WAT1 ATOM 5144 OH2 TIP3 913 14.785 -26.128 19.732 1.00 0.00 WAT1 ATOM 5145 H1 TIP3 913 14.360 -25.299 19.471 1.00 0.00 WAT1 ATOM 5146 H2 TIP3 913 14.268 -26.429 20.513 1.00 0.00 WAT1 ATOM 5147 OH2 TIP3 914 11.508 -24.020 19.064 1.00 0.00 WAT1 ATOM 5148 H1 TIP3 914 11.937 -24.457 18.298 1.00 0.00 WAT1 ATOM 5149 H2 TIP3 914 11.697 -23.065 18.926 1.00 0.00 WAT1 ATOM 5150 OH2 TIP3 915 14.531 -31.772 22.865 1.00 0.00 WAT1 ATOM 5151 H1 TIP3 915 14.943 -32.600 22.536 1.00 0.00 WAT1 ATOM 5152 H2 TIP3 915 13.937 -32.078 23.588 1.00 0.00 WAT1 ATOM 5153 OH2 TIP3 916 2.551 -17.796 27.020 1.00 0.00 WAT1 ATOM 5154 H1 TIP3 916 3.039 -18.593 26.742 1.00 0.00 WAT1 ATOM 5155 H2 TIP3 916 1.623 -17.986 26.783 1.00 0.00 WAT1 ATOM 5156 OH2 TIP3 917 4.477 -17.656 17.568 1.00 0.00 WAT1 ATOM 5157 H1 TIP3 917 4.998 -18.297 18.091 1.00 0.00 WAT1 ATOM 5158 H2 TIP3 917 3.707 -17.451 18.141 1.00 0.00 WAT1 ATOM 5159 OH2 TIP3 918 2.369 -17.372 19.364 1.00 0.00 WAT1 ATOM 5160 H1 TIP3 918 2.467 -18.147 19.956 1.00 0.00 WAT1 ATOM 5161 H2 TIP3 918 1.836 -16.749 19.871 1.00 0.00 WAT1 ATOM 5162 OH2 TIP3 919 -0.026 -14.786 19.441 1.00 0.00 WAT1 ATOM 5163 H1 TIP3 919 -0.647 -15.141 20.102 1.00 0.00 WAT1 ATOM 5164 H2 TIP3 919 -0.060 -13.824 19.582 1.00 0.00 WAT1 ATOM 5165 OH2 TIP3 920 0.854 -15.605 16.944 1.00 0.00 WAT1 ATOM 5166 H1 TIP3 920 0.635 -16.563 16.971 1.00 0.00 WAT1 ATOM 5167 H2 TIP3 920 0.614 -15.283 17.845 1.00 0.00 WAT1 ATOM 5168 OH2 TIP3 921 5.449 -12.956 13.804 1.00 0.00 WAT1 ATOM 5169 H1 TIP3 921 5.719 -12.035 13.586 1.00 0.00 WAT1 ATOM 5170 H2 TIP3 921 6.199 -13.508 13.478 1.00 0.00 WAT1 ATOM 5171 OH2 TIP3 922 6.787 -15.386 17.372 1.00 0.00 WAT1 ATOM 5172 H1 TIP3 922 7.072 -14.686 17.963 1.00 0.00 WAT1 ATOM 5173 H2 TIP3 922 5.948 -15.046 16.985 1.00 0.00 WAT1 ATOM 5174 OH2 TIP3 923 1.389 -31.973 22.428 1.00 0.00 WAT1 ATOM 5175 H1 TIP3 923 1.410 -32.348 23.338 1.00 0.00 WAT1 ATOM 5176 H2 TIP3 923 0.796 -32.567 21.944 1.00 0.00 WAT1 ATOM 5177 OH2 TIP3 924 10.538 -30.872 22.932 1.00 0.00 WAT1 ATOM 5178 H1 TIP3 924 10.591 -31.465 23.710 1.00 0.00 WAT1 ATOM 5179 H2 TIP3 924 10.165 -31.448 22.227 1.00 0.00 WAT1 ATOM 5180 OH2 TIP3 925 -0.461 -18.359 29.289 1.00 0.00 WAT1 ATOM 5181 H1 TIP3 925 -0.958 -18.830 29.990 1.00 0.00 WAT1 ATOM 5182 H2 TIP3 925 0.051 -17.673 29.777 1.00 0.00 WAT1 ATOM 5183 OH2 TIP3 926 15.080 -31.007 25.575 1.00 0.00 WAT1 ATOM 5184 H1 TIP3 926 15.249 -30.979 24.627 1.00 0.00 WAT1 ATOM 5185 H2 TIP3 926 14.422 -31.713 25.680 1.00 0.00 WAT1 ATOM 5186 OH2 TIP3 927 8.374 -29.176 23.588 1.00 0.00 WAT1 ATOM 5187 H1 TIP3 927 7.805 -29.965 23.516 1.00 0.00 WAT1 ATOM 5188 H2 TIP3 927 9.263 -29.510 23.357 1.00 0.00 WAT1 ATOM 5189 OH2 TIP3 928 3.201 -23.394 21.735 1.00 0.00 WAT1 ATOM 5190 H1 TIP3 928 2.865 -24.102 22.326 1.00 0.00 WAT1 ATOM 5191 H2 TIP3 928 2.984 -22.566 22.219 1.00 0.00 WAT1 ATOM 5192 OH2 TIP3 929 0.085 -29.021 25.271 1.00 0.00 WAT1 ATOM 5193 H1 TIP3 929 0.731 -29.164 24.554 1.00 0.00 WAT1 ATOM 5194 H2 TIP3 929 0.142 -29.836 25.811 1.00 0.00 WAT1 ATOM 5195 OH2 TIP3 930 2.196 -25.368 23.316 1.00 0.00 WAT1 ATOM 5196 H1 TIP3 930 1.666 -25.788 22.594 1.00 0.00 WAT1 ATOM 5197 H2 TIP3 930 2.825 -26.053 23.576 1.00 0.00 WAT1 ATOM 5198 OH2 TIP3 931 -0.066 -22.102 25.896 1.00 0.00 WAT1 ATOM 5199 H1 TIP3 931 0.224 -21.616 26.701 1.00 0.00 WAT1 ATOM 5200 H2 TIP3 931 -0.975 -22.393 26.113 1.00 0.00 WAT1 ATOM 5201 OH2 TIP3 932 4.574 -19.685 26.387 1.00 0.00 WAT1 ATOM 5202 H1 TIP3 932 4.706 -19.860 27.328 1.00 0.00 WAT1 ATOM 5203 H2 TIP3 932 5.175 -20.304 25.945 1.00 0.00 WAT1 ATOM 5204 OH2 TIP3 933 0.905 -21.297 30.966 1.00 0.00 WAT1 ATOM 5205 H1 TIP3 933 1.267 -21.397 31.850 1.00 0.00 WAT1 ATOM 5206 H2 TIP3 933 0.038 -20.860 31.108 1.00 0.00 WAT1 ATOM 5207 OH2 TIP3 934 3.771 -27.741 21.625 1.00 0.00 WAT1 ATOM 5208 H1 TIP3 934 3.114 -28.104 22.248 1.00 0.00 WAT1 ATOM 5209 H2 TIP3 934 4.065 -28.527 21.115 1.00 0.00 WAT1 ATOM 5210 OH2 TIP3 935 0.374 -20.831 28.312 1.00 0.00 WAT1 ATOM 5211 H1 TIP3 935 0.200 -19.881 28.479 1.00 0.00 WAT1 ATOM 5212 H2 TIP3 935 0.748 -21.157 29.162 1.00 0.00 WAT1 ATOM 5213 OH2 TIP3 936 -1.401 -26.171 24.435 1.00 0.00 WAT1 ATOM 5214 H1 TIP3 936 -0.659 -26.762 24.243 1.00 0.00 WAT1 ATOM 5215 H2 TIP3 936 -1.092 -25.291 24.121 1.00 0.00 WAT1 ATOM 5216 OH2 TIP3 937 5.114 -21.957 24.279 1.00 0.00 WAT1 ATOM 5217 H1 TIP3 937 5.433 -22.608 23.615 1.00 0.00 WAT1 ATOM 5218 H2 TIP3 937 5.798 -21.988 24.985 1.00 0.00 WAT1 ATOM 5219 OH2 TIP3 938 4.942 -20.002 22.345 1.00 0.00 WAT1 ATOM 5220 H1 TIP3 938 5.694 -20.402 21.850 1.00 0.00 WAT1 ATOM 5221 H2 TIP3 938 4.839 -20.588 23.123 1.00 0.00 WAT1 ATOM 5222 OH2 TIP3 939 7.135 -22.104 26.076 1.00 0.00 WAT1 ATOM 5223 H1 TIP3 939 7.948 -21.842 26.517 1.00 0.00 WAT1 ATOM 5224 H2 TIP3 939 7.308 -23.029 25.784 1.00 0.00 WAT1 ATOM 5225 OH2 TIP3 940 7.694 -24.597 25.024 1.00 0.00 WAT1 ATOM 5226 H1 TIP3 940 8.511 -24.929 24.589 1.00 0.00 WAT1 ATOM 5227 H2 TIP3 940 7.183 -25.414 25.212 1.00 0.00 WAT1 ATOM 5228 OH2 TIP3 941 13.315 -26.950 21.922 1.00 0.00 WAT1 ATOM 5229 H1 TIP3 941 13.515 -26.678 22.825 1.00 0.00 WAT1 ATOM 5230 H2 TIP3 941 13.132 -27.922 22.002 1.00 0.00 WAT1 ATOM 5231 OH2 TIP3 942 19.142 -25.014 20.967 1.00 0.00 WAT1 ATOM 5232 H1 TIP3 942 19.426 -25.149 20.040 1.00 0.00 WAT1 ATOM 5233 H2 TIP3 942 19.838 -24.472 21.353 1.00 0.00 WAT1 ATOM 5234 OH2 TIP3 943 -1.527 -25.945 27.191 1.00 0.00 WAT1 ATOM 5235 H1 TIP3 943 -0.596 -26.067 27.415 1.00 0.00 WAT1 ATOM 5236 H2 TIP3 943 -1.564 -26.108 26.223 1.00 0.00 WAT1 ATOM 5237 OH2 TIP3 944 -4.834 -28.608 26.901 1.00 0.00 WAT1 ATOM 5238 H1 TIP3 944 -4.101 -28.570 26.251 1.00 0.00 WAT1 ATOM 5239 H2 TIP3 944 -4.426 -28.290 27.738 1.00 0.00 WAT1 ATOM 5240 OH2 TIP3 945 -0.329 -17.421 26.698 1.00 0.00 WAT1 ATOM 5241 H1 TIP3 945 -0.014 -16.501 26.825 1.00 0.00 WAT1 ATOM 5242 H2 TIP3 945 -0.521 -17.738 27.609 1.00 0.00 WAT1 ATOM 5243 OH2 TIP3 946 1.697 -29.278 22.831 1.00 0.00 WAT1 ATOM 5244 H1 TIP3 946 1.815 -30.253 22.729 1.00 0.00 WAT1 ATOM 5245 H2 TIP3 946 1.159 -29.029 22.072 1.00 0.00 WAT1 ATOM 5246 OH2 TIP3 947 2.941 -15.566 28.516 1.00 0.00 WAT1 ATOM 5247 H1 TIP3 947 3.815 -15.228 28.298 1.00 0.00 WAT1 ATOM 5248 H2 TIP3 947 2.864 -16.399 27.986 1.00 0.00 WAT1 ATOM 5249 OH2 TIP3 948 10.860 -10.659 0.356 1.00 0.00 WAT1 ATOM 5250 H1 TIP3 948 10.895 -11.582 0.021 1.00 0.00 WAT1 ATOM 5251 H2 TIP3 948 11.786 -10.337 0.273 1.00 0.00 WAT1 ATOM 5252 OH2 TIP3 949 3.769 -8.379 -2.527 1.00 0.00 WAT1 ATOM 5253 H1 TIP3 949 3.200 -8.778 -1.827 1.00 0.00 WAT1 ATOM 5254 H2 TIP3 949 3.239 -7.653 -2.875 1.00 0.00 WAT1 ATOM 5255 OH2 TIP3 950 10.447 -11.612 3.011 1.00 0.00 WAT1 ATOM 5256 H1 TIP3 950 9.975 -10.935 3.550 1.00 0.00 WAT1 ATOM 5257 H2 TIP3 950 10.519 -11.204 2.125 1.00 0.00 WAT1 ATOM 5258 OH2 TIP3 951 6.468 -11.857 -1.000 1.00 0.00 WAT1 ATOM 5259 H1 TIP3 951 6.045 -12.176 -1.825 1.00 0.00 WAT1 ATOM 5260 H2 TIP3 951 5.982 -11.024 -0.790 1.00 0.00 WAT1 ATOM 5261 OH2 TIP3 952 13.368 -9.495 0.193 1.00 0.00 WAT1 ATOM 5262 H1 TIP3 952 13.286 -9.520 1.177 1.00 0.00 WAT1 ATOM 5263 H2 TIP3 952 14.147 -8.946 0.038 1.00 0.00 WAT1 ATOM 5264 OH2 TIP3 953 13.004 -9.646 2.882 1.00 0.00 WAT1 ATOM 5265 H1 TIP3 953 12.098 -9.510 3.190 1.00 0.00 WAT1 ATOM 5266 H2 TIP3 953 13.559 -9.184 3.558 1.00 0.00 WAT1 ATOM 5267 OH2 TIP3 954 5.620 -10.109 -3.618 1.00 0.00 WAT1 ATOM 5268 H1 TIP3 954 4.914 -9.510 -3.290 1.00 0.00 WAT1 ATOM 5269 H2 TIP3 954 6.312 -9.515 -3.924 1.00 0.00 WAT1 ATOM 5270 OH2 TIP3 955 9.310 -9.930 4.856 1.00 0.00 WAT1 ATOM 5271 H1 TIP3 955 9.562 -10.285 5.732 1.00 0.00 WAT1 ATOM 5272 H2 TIP3 955 8.921 -9.050 5.059 1.00 0.00 WAT1 ATOM 5273 OH2 TIP3 956 8.156 -7.701 5.963 1.00 0.00 WAT1 ATOM 5274 H1 TIP3 956 7.965 -6.760 5.899 1.00 0.00 WAT1 ATOM 5275 H2 TIP3 956 8.201 -7.872 6.927 1.00 0.00 WAT1 ATOM 5276 OH2 TIP3 957 8.092 -10.803 0.918 1.00 0.00 WAT1 ATOM 5277 H1 TIP3 957 8.973 -10.665 0.532 1.00 0.00 WAT1 ATOM 5278 H2 TIP3 957 7.564 -11.183 0.183 1.00 0.00 WAT1 ATOM 5279 OH2 TIP3 958 7.134 -7.612 0.790 1.00 0.00 WAT1 ATOM 5280 H1 TIP3 958 7.229 -6.657 0.854 1.00 0.00 WAT1 ATOM 5281 H2 TIP3 958 8.003 -7.918 0.444 1.00 0.00 WAT1 ATOM 5282 OH2 TIP3 959 2.594 -9.449 -0.304 1.00 0.00 WAT1 ATOM 5283 H1 TIP3 959 2.030 -9.440 0.508 1.00 0.00 WAT1 ATOM 5284 H2 TIP3 959 3.502 -9.555 0.038 1.00 0.00 WAT1 ATOM 5285 OH2 TIP3 960 9.561 -8.261 -0.348 1.00 0.00 WAT1 ATOM 5286 H1 TIP3 960 10.036 -7.972 -1.134 1.00 0.00 WAT1 ATOM 5287 H2 TIP3 960 10.032 -9.066 -0.065 1.00 0.00 WAT1 ATOM 5288 OH2 TIP3 961 11.739 -12.593 5.227 1.00 0.00 WAT1 ATOM 5289 H1 TIP3 961 11.239 -12.329 4.426 1.00 0.00 WAT1 ATOM 5290 H2 TIP3 961 12.677 -12.464 4.971 1.00 0.00 WAT1 ATOM 5291 OH2 TIP3 962 2.653 -12.991 -3.164 1.00 0.00 WAT1 ATOM 5292 H1 TIP3 962 2.754 -12.606 -4.070 1.00 0.00 WAT1 ATOM 5293 H2 TIP3 962 2.019 -12.392 -2.718 1.00 0.00 WAT1 ATOM 5294 OH2 TIP3 963 6.564 -9.698 2.924 1.00 0.00 WAT1 ATOM 5295 H1 TIP3 963 6.393 -8.782 2.659 1.00 0.00 WAT1 ATOM 5296 H2 TIP3 963 7.095 -10.064 2.180 1.00 0.00 WAT1 ATOM 5297 OH2 TIP3 964 5.412 -9.390 -0.412 1.00 0.00 WAT1 ATOM 5298 H1 TIP3 964 5.090 -8.855 -1.158 1.00 0.00 WAT1 ATOM 5299 H2 TIP3 964 6.004 -8.782 0.083 1.00 0.00 WAT1 ATOM 5300 OH2 TIP3 965 10.077 -11.433 7.148 1.00 0.00 WAT1 ATOM 5301 H1 TIP3 965 10.651 -11.857 6.477 1.00 0.00 WAT1 ATOM 5302 H2 TIP3 965 10.555 -11.583 7.997 1.00 0.00 WAT1 ATOM 5303 OH2 TIP3 966 2.974 -9.517 5.457 1.00 0.00 WAT1 ATOM 5304 H1 TIP3 966 2.994 -9.256 6.400 1.00 0.00 WAT1 ATOM 5305 H2 TIP3 966 2.657 -8.705 4.993 1.00 0.00 WAT1 ATOM 5306 OH2 TIP3 967 8.083 -8.611 8.612 1.00 0.00 WAT1 ATOM 5307 H1 TIP3 967 8.915 -8.746 9.082 1.00 0.00 WAT1 ATOM 5308 H2 TIP3 967 7.407 -8.594 9.321 1.00 0.00 WAT1 ATOM 5309 OH2 TIP3 968 0.938 -9.886 1.774 1.00 0.00 WAT1 ATOM 5310 H1 TIP3 968 0.867 -10.126 2.717 1.00 0.00 WAT1 ATOM 5311 H2 TIP3 968 0.169 -10.325 1.356 1.00 0.00 WAT1 ATOM 5312 OH2 TIP3 969 14.040 -11.645 8.484 1.00 0.00 WAT1 ATOM 5313 H1 TIP3 969 14.538 -11.113 9.114 1.00 0.00 WAT1 ATOM 5314 H2 TIP3 969 14.369 -11.346 7.605 1.00 0.00 WAT1 ATOM 5315 OH2 TIP3 970 15.327 -11.021 6.137 1.00 0.00 WAT1 ATOM 5316 H1 TIP3 970 14.897 -11.440 5.352 1.00 0.00 WAT1 ATOM 5317 H2 TIP3 970 16.206 -11.416 6.162 1.00 0.00 WAT1 ATOM 5318 OH2 TIP3 971 0.997 -11.536 -1.221 1.00 0.00 WAT1 ATOM 5319 H1 TIP3 971 0.155 -11.385 -0.747 1.00 0.00 WAT1 ATOM 5320 H2 TIP3 971 1.556 -10.775 -0.959 1.00 0.00 WAT1 ATOM 5321 OH2 TIP3 972 14.131 -12.033 3.940 1.00 0.00 WAT1 ATOM 5322 H1 TIP3 972 13.838 -11.327 3.331 1.00 0.00 WAT1 ATOM 5323 H2 TIP3 972 13.984 -12.867 3.430 1.00 0.00 WAT1 ATOM 5324 OH2 TIP3 973 8.219 -13.818 -1.842 1.00 0.00 WAT1 ATOM 5325 H1 TIP3 973 8.002 -13.791 -2.786 1.00 0.00 WAT1 ATOM 5326 H2 TIP3 973 7.583 -13.189 -1.435 1.00 0.00 WAT1 ATOM 5327 OH2 TIP3 974 11.855 -12.844 -4.744 1.00 0.00 WAT1 ATOM 5328 H1 TIP3 974 12.331 -12.239 -5.362 1.00 0.00 WAT1 ATOM 5329 H2 TIP3 974 10.931 -12.843 -5.075 1.00 0.00 WAT1 ATOM 5330 OH2 TIP3 975 3.399 -12.232 -5.662 1.00 0.00 WAT1 ATOM 5331 H1 TIP3 975 4.081 -12.874 -5.955 1.00 0.00 WAT1 ATOM 5332 H2 TIP3 975 3.439 -11.531 -6.318 1.00 0.00 WAT1 ATOM 5333 OH2 TIP3 976 5.500 -12.839 -3.355 1.00 0.00 WAT1 ATOM 5334 H1 TIP3 976 5.574 -11.906 -3.665 1.00 0.00 WAT1 ATOM 5335 H2 TIP3 976 4.540 -12.998 -3.311 1.00 0.00 WAT1 ATOM 5336 OH2 TIP3 977 9.334 -13.188 -5.810 1.00 0.00 WAT1 ATOM 5337 H1 TIP3 977 8.805 -13.933 -5.466 1.00 0.00 WAT1 ATOM 5338 H2 TIP3 977 8.677 -12.627 -6.285 1.00 0.00 WAT1 ATOM 5339 OH2 TIP3 978 0.343 -13.144 3.311 1.00 0.00 WAT1 ATOM 5340 H1 TIP3 978 -0.558 -13.058 2.933 1.00 0.00 WAT1 ATOM 5341 H2 TIP3 978 0.544 -12.243 3.661 1.00 0.00 WAT1 ATOM 5342 OH2 TIP3 979 4.164 -6.604 15.761 1.00 0.00 WAT1 ATOM 5343 H1 TIP3 979 4.539 -6.364 14.893 1.00 0.00 WAT1 ATOM 5344 H2 TIP3 979 3.699 -7.455 15.599 1.00 0.00 WAT1 ATOM 5345 OH2 TIP3 980 1.669 -8.335 10.501 1.00 0.00 WAT1 ATOM 5346 H1 TIP3 980 2.222 -8.270 11.303 1.00 0.00 WAT1 ATOM 5347 H2 TIP3 980 0.883 -7.786 10.714 1.00 0.00 WAT1 ATOM 5348 OH2 TIP3 981 -0.498 -7.102 11.560 1.00 0.00 WAT1 ATOM 5349 H1 TIP3 981 -0.190 -6.370 12.136 1.00 0.00 WAT1 ATOM 5350 H2 TIP3 981 -0.760 -7.806 12.191 1.00 0.00 WAT1 ATOM 5351 OH2 TIP3 982 4.925 -7.209 12.186 1.00 0.00 WAT1 ATOM 5352 H1 TIP3 982 5.032 -6.293 12.510 1.00 0.00 WAT1 ATOM 5353 H2 TIP3 982 3.995 -7.429 12.407 1.00 0.00 WAT1 ATOM 5354 OH2 TIP3 983 0.470 -5.408 13.490 1.00 0.00 WAT1 ATOM 5355 H1 TIP3 983 0.844 -5.417 14.405 1.00 0.00 WAT1 ATOM 5356 H2 TIP3 983 -0.079 -4.615 13.471 1.00 0.00 WAT1 ATOM 5357 OH2 TIP3 984 -0.108 -7.836 15.796 1.00 0.00 WAT1 ATOM 5358 H1 TIP3 984 -0.522 -6.970 16.000 1.00 0.00 WAT1 ATOM 5359 H2 TIP3 984 -0.196 -8.351 16.636 1.00 0.00 WAT1 ATOM 5360 OH2 TIP3 985 -1.097 -8.934 13.535 1.00 0.00 WAT1 ATOM 5361 H1 TIP3 985 -0.705 -8.511 14.337 1.00 0.00 WAT1 ATOM 5362 H2 TIP3 985 -0.891 -9.872 13.640 1.00 0.00 WAT1 ATOM 5363 OH2 TIP3 986 2.789 -13.022 13.151 1.00 0.00 WAT1 ATOM 5364 H1 TIP3 986 2.348 -13.052 14.025 1.00 0.00 WAT1 ATOM 5365 H2 TIP3 986 3.742 -12.986 13.365 1.00 0.00 WAT1 ATOM 5366 OH2 TIP3 987 14.544 -14.240 7.460 1.00 0.00 WAT1 ATOM 5367 H1 TIP3 987 13.644 -14.444 7.141 1.00 0.00 WAT1 ATOM 5368 H2 TIP3 987 14.441 -13.396 7.938 1.00 0.00 WAT1 ATOM 5369 OH2 TIP3 988 1.600 -13.350 15.636 1.00 0.00 WAT1 ATOM 5370 H1 TIP3 988 0.731 -12.892 15.616 1.00 0.00 WAT1 ATOM 5371 H2 TIP3 988 1.453 -14.110 16.241 1.00 0.00 WAT1 ATOM 5372 OH2 TIP3 989 6.525 -9.968 6.716 1.00 0.00 WAT1 ATOM 5373 H1 TIP3 989 6.539 -9.346 5.972 1.00 0.00 WAT1 ATOM 5374 H2 TIP3 989 7.152 -9.582 7.360 1.00 0.00 WAT1 ATOM 5375 OH2 TIP3 990 2.457 -8.749 15.521 1.00 0.00 WAT1 ATOM 5376 H1 TIP3 990 1.554 -8.434 15.760 1.00 0.00 WAT1 ATOM 5377 H2 TIP3 990 2.492 -9.649 15.870 1.00 0.00 WAT1 ATOM 5378 OH2 TIP3 991 4.663 -4.821 13.594 1.00 0.00 WAT1 ATOM 5379 H1 TIP3 991 3.876 -4.458 14.024 1.00 0.00 WAT1 ATOM 5380 H2 TIP3 991 5.209 -4.048 13.406 1.00 0.00 WAT1 ATOM 5381 OH2 TIP3 992 -0.156 -9.505 17.919 1.00 0.00 WAT1 ATOM 5382 H1 TIP3 992 0.187 -9.389 18.833 1.00 0.00 WAT1 ATOM 5383 H2 TIP3 992 -0.870 -10.174 18.020 1.00 0.00 WAT1 ATOM 5384 OH2 TIP3 993 4.531 -11.422 4.251 1.00 0.00 WAT1 ATOM 5385 H1 TIP3 993 3.953 -10.782 4.716 1.00 0.00 WAT1 ATOM 5386 H2 TIP3 993 5.113 -10.862 3.709 1.00 0.00 WAT1 ATOM 5387 OH2 TIP3 994 -0.755 -9.884 6.529 1.00 0.00 WAT1 ATOM 5388 H1 TIP3 994 -1.631 -10.269 6.303 1.00 0.00 WAT1 ATOM 5389 H2 TIP3 994 -0.636 -10.096 7.477 1.00 0.00 WAT1 ATOM 5390 OH2 TIP3 995 6.260 -10.396 13.208 1.00 0.00 WAT1 ATOM 5391 H1 TIP3 995 6.123 -9.902 12.376 1.00 0.00 WAT1 ATOM 5392 H2 TIP3 995 6.144 -9.731 13.897 1.00 0.00 WAT1 ATOM 5393 OH2 TIP3 996 2.376 -7.534 13.063 1.00 0.00 WAT1 ATOM 5394 H1 TIP3 996 2.359 -8.030 13.910 1.00 0.00 WAT1 ATOM 5395 H2 TIP3 996 1.725 -6.815 13.194 1.00 0.00 WAT1 ATOM 5396 OH2 TIP3 997 6.255 -9.034 10.695 1.00 0.00 WAT1 ATOM 5397 H1 TIP3 997 5.792 -8.281 11.139 1.00 0.00 WAT1 ATOM 5398 H2 TIP3 997 5.573 -9.410 10.085 1.00 0.00 WAT1 ATOM 5399 OH2 TIP3 998 4.681 -10.100 8.731 1.00 0.00 WAT1 ATOM 5400 H1 TIP3 998 5.263 -10.208 7.948 1.00 0.00 WAT1 ATOM 5401 H2 TIP3 998 3.959 -9.522 8.414 1.00 0.00 WAT1 ATOM 5402 OH2 TIP3 999 -0.103 -10.009 9.216 1.00 0.00 WAT1 ATOM 5403 H1 TIP3 999 -0.843 -9.369 9.269 1.00 0.00 WAT1 ATOM 5404 H2 TIP3 999 0.639 -9.550 9.664 1.00 0.00 WAT1 ATOM 5405 OH2 TIP3 1000 8.140 -12.520 8.912 1.00 0.00 WAT1 ATOM 5406 H1 TIP3 1000 8.182 -11.992 9.743 1.00 0.00 WAT1 ATOM 5407 H2 TIP3 1000 8.670 -12.001 8.275 1.00 0.00 WAT1 ATOM 5408 OH2 TIP3 1001 0.408 -9.473 20.604 1.00 0.00 WAT1 ATOM 5409 H1 TIP3 1001 -0.288 -9.700 21.251 1.00 0.00 WAT1 ATOM 5410 H2 TIP3 1001 1.230 -9.645 21.072 1.00 0.00 WAT1 ATOM 5411 OH2 TIP3 1002 -1.258 -12.394 20.650 1.00 0.00 WAT1 ATOM 5412 H1 TIP3 1002 -1.129 -11.672 21.297 1.00 0.00 WAT1 ATOM 5413 H2 TIP3 1002 -1.621 -11.937 19.852 1.00 0.00 WAT1 ATOM 5414 OH2 TIP3 1003 11.871 -14.807 6.804 1.00 0.00 WAT1 ATOM 5415 H1 TIP3 1003 11.246 -15.456 6.420 1.00 0.00 WAT1 ATOM 5416 H2 TIP3 1003 11.784 -14.019 6.222 1.00 0.00 WAT1 ATOM 5417 OH2 TIP3 1004 8.151 -11.019 11.207 1.00 0.00 WAT1 ATOM 5418 H1 TIP3 1004 7.597 -10.287 10.872 1.00 0.00 WAT1 ATOM 5419 H2 TIP3 1004 7.789 -11.197 12.093 1.00 0.00 WAT1 ATOM 5420 OH2 TIP3 1005 7.270 -15.862 7.250 1.00 0.00 WAT1 ATOM 5421 H1 TIP3 1005 8.005 -15.644 7.869 1.00 0.00 WAT1 ATOM 5422 H2 TIP3 1005 7.268 -16.844 7.223 1.00 0.00 WAT1 ATOM 5423 OH2 TIP3 1006 0.163 -7.392 7.048 1.00 0.00 WAT1 ATOM 5424 H1 TIP3 1006 -0.471 -7.142 7.746 1.00 0.00 WAT1 ATOM 5425 H2 TIP3 1006 -0.171 -8.257 6.724 1.00 0.00 WAT1 ATOM 5426 OH2 TIP3 1007 4.613 -14.268 16.077 1.00 0.00 WAT1 ATOM 5427 H1 TIP3 1007 3.749 -13.874 16.271 1.00 0.00 WAT1 ATOM 5428 H2 TIP3 1007 4.945 -13.754 15.310 1.00 0.00 WAT1 ATOM 5429 OH2 TIP3 1008 4.112 -5.226 18.111 1.00 0.00 WAT1 ATOM 5430 H1 TIP3 1008 5.012 -5.040 18.395 1.00 0.00 WAT1 ATOM 5431 H2 TIP3 1008 4.223 -5.756 17.292 1.00 0.00 WAT1 ATOM 5432 OH2 TIP3 1009 14.461 -8.639 4.930 1.00 0.00 WAT1 ATOM 5433 H1 TIP3 1009 14.793 -9.383 5.470 1.00 0.00 WAT1 ATOM 5434 H2 TIP3 1009 14.864 -7.861 5.327 1.00 0.00 WAT1 ATOM 5435 OH2 TIP3 1010 -0.686 -10.900 25.091 1.00 0.00 WAT1 ATOM 5436 H1 TIP3 1010 -0.795 -11.681 25.676 1.00 0.00 WAT1 ATOM 5437 H2 TIP3 1010 -0.134 -10.301 25.601 1.00 0.00 WAT1 ATOM 5438 OH2 TIP3 1011 2.588 -8.475 7.951 1.00 0.00 WAT1 ATOM 5439 H1 TIP3 1011 2.390 -8.390 8.909 1.00 0.00 WAT1 ATOM 5440 H2 TIP3 1011 1.892 -7.938 7.520 1.00 0.00 WAT1 ATOM 5441 OH2 TIP3 1012 7.590 -14.360 12.847 1.00 0.00 WAT1 ATOM 5442 H1 TIP3 1012 7.810 -14.975 12.133 1.00 0.00 WAT1 ATOM 5443 H2 TIP3 1012 8.420 -13.878 13.010 1.00 0.00 WAT1 ATOM 5444 OH2 TIP3 1013 8.529 -16.756 11.151 1.00 0.00 WAT1 ATOM 5445 H1 TIP3 1013 8.554 -16.261 10.304 1.00 0.00 WAT1 ATOM 5446 H2 TIP3 1013 9.331 -16.440 11.631 1.00 0.00 WAT1 ATOM 5447 OH2 TIP3 1014 11.485 -12.254 9.318 1.00 0.00 WAT1 ATOM 5448 H1 TIP3 1014 12.392 -11.967 9.080 1.00 0.00 WAT1 ATOM 5449 H2 TIP3 1014 11.598 -13.178 9.605 1.00 0.00 WAT1 ATOM 5450 OH2 TIP3 1015 6.035 -14.297 9.204 1.00 0.00 WAT1 ATOM 5451 H1 TIP3 1015 6.352 -14.930 8.531 1.00 0.00 WAT1 ATOM 5452 H2 TIP3 1015 6.699 -13.576 9.185 1.00 0.00 WAT1 ATOM 5453 OH2 TIP3 1016 0.746 -14.889 26.973 1.00 0.00 WAT1 ATOM 5454 H1 TIP3 1016 0.229 -14.063 27.072 1.00 0.00 WAT1 ATOM 5455 H2 TIP3 1016 1.408 -14.848 27.690 1.00 0.00 WAT1 ATOM 5456 OH2 TIP3 1017 18.037 -48.771 -11.543 1.00 0.00 WAT1 ATOM 5457 H1 TIP3 1017 18.959 -49.078 -11.377 1.00 0.00 WAT1 ATOM 5458 H2 TIP3 1017 17.849 -49.068 -12.455 1.00 0.00 WAT1 ATOM 5459 OH2 TIP3 1018 21.246 -60.211 -1.813 1.00 0.00 WAT1 ATOM 5460 H1 TIP3 1018 21.035 -60.821 -1.082 1.00 0.00 WAT1 ATOM 5461 H2 TIP3 1018 21.694 -59.460 -1.374 1.00 0.00 WAT1 ATOM 5462 OH2 TIP3 1019 24.294 -56.111 -0.207 1.00 0.00 WAT1 ATOM 5463 H1 TIP3 1019 24.367 -55.199 0.116 1.00 0.00 WAT1 ATOM 5464 H2 TIP3 1019 24.638 -56.066 -1.123 1.00 0.00 WAT1 ATOM 5465 OH2 TIP3 1020 19.715 -59.514 -6.171 1.00 0.00 WAT1 ATOM 5466 H1 TIP3 1020 19.930 -60.405 -6.509 1.00 0.00 WAT1 ATOM 5467 H2 TIP3 1020 20.412 -59.342 -5.509 1.00 0.00 WAT1 ATOM 5468 OH2 TIP3 1021 21.253 -61.828 -6.299 1.00 0.00 WAT1 ATOM 5469 H1 TIP3 1021 21.597 -61.215 -5.616 1.00 0.00 WAT1 ATOM 5470 H2 TIP3 1021 21.909 -62.526 -6.345 1.00 0.00 WAT1 ATOM 5471 OH2 TIP3 1022 24.022 -58.682 -2.957 1.00 0.00 WAT1 ATOM 5472 H1 TIP3 1022 24.682 -59.332 -2.699 1.00 0.00 WAT1 ATOM 5473 H2 TIP3 1022 23.501 -58.532 -2.139 1.00 0.00 WAT1 ATOM 5474 OH2 TIP3 1023 22.755 -58.343 -0.444 1.00 0.00 WAT1 ATOM 5475 H1 TIP3 1023 23.273 -57.516 -0.278 1.00 0.00 WAT1 ATOM 5476 H2 TIP3 1023 22.375 -58.563 0.430 1.00 0.00 WAT1 ATOM 5477 OH2 TIP3 1024 17.561 -54.935 -5.975 1.00 0.00 WAT1 ATOM 5478 H1 TIP3 1024 17.418 -54.483 -6.831 1.00 0.00 WAT1 ATOM 5479 H2 TIP3 1024 17.822 -55.843 -6.226 1.00 0.00 WAT1 ATOM 5480 OH2 TIP3 1025 24.796 -56.007 -2.897 1.00 0.00 WAT1 ATOM 5481 H1 TIP3 1025 25.331 -55.609 -3.625 1.00 0.00 WAT1 ATOM 5482 H2 TIP3 1025 24.615 -56.918 -3.203 1.00 0.00 WAT1 ATOM 5483 OH2 TIP3 1026 21.278 -52.123 0.662 1.00 0.00 WAT1 ATOM 5484 H1 TIP3 1026 20.530 -51.961 1.290 1.00 0.00 WAT1 ATOM 5485 H2 TIP3 1026 21.186 -51.412 -0.007 1.00 0.00 WAT1 ATOM 5486 OH2 TIP3 1027 21.416 -59.097 1.930 1.00 0.00 WAT1 ATOM 5487 H1 TIP3 1027 21.632 -58.227 2.333 1.00 0.00 WAT1 ATOM 5488 H2 TIP3 1027 20.599 -59.374 2.401 1.00 0.00 WAT1 ATOM 5489 OH2 TIP3 1028 19.127 -53.291 4.633 1.00 0.00 WAT1 ATOM 5490 H1 TIP3 1028 19.257 -52.816 3.779 1.00 0.00 WAT1 ATOM 5491 H2 TIP3 1028 18.916 -54.208 4.370 1.00 0.00 WAT1 ATOM 5492 OH2 TIP3 1029 22.898 -54.086 -2.411 1.00 0.00 WAT1 ATOM 5493 H1 TIP3 1029 23.494 -54.848 -2.600 1.00 0.00 WAT1 ATOM 5494 H2 TIP3 1029 22.016 -54.478 -2.370 1.00 0.00 WAT1 ATOM 5495 OH2 TIP3 1030 18.425 -61.527 1.436 1.00 0.00 WAT1 ATOM 5496 H1 TIP3 1030 18.633 -60.817 2.081 1.00 0.00 WAT1 ATOM 5497 H2 TIP3 1030 19.270 -61.677 0.969 1.00 0.00 WAT1 ATOM 5498 OH2 TIP3 1031 21.318 -56.665 3.165 1.00 0.00 WAT1 ATOM 5499 H1 TIP3 1031 20.455 -56.314 3.438 1.00 0.00 WAT1 ATOM 5500 H2 TIP3 1031 21.721 -55.926 2.647 1.00 0.00 WAT1 ATOM 5501 OH2 TIP3 1032 21.911 -59.889 -4.425 1.00 0.00 WAT1 ATOM 5502 H1 TIP3 1032 22.687 -59.329 -4.240 1.00 0.00 WAT1 ATOM 5503 H2 TIP3 1032 21.558 -60.107 -3.530 1.00 0.00 WAT1 ATOM 5504 OH2 TIP3 1033 21.131 -61.514 0.661 1.00 0.00 WAT1 ATOM 5505 H1 TIP3 1033 21.312 -60.652 1.098 1.00 0.00 WAT1 ATOM 5506 H2 TIP3 1033 21.743 -62.126 1.083 1.00 0.00 WAT1 ATOM 5507 OH2 TIP3 1034 25.960 -54.567 -4.909 1.00 0.00 WAT1 ATOM 5508 H1 TIP3 1034 25.259 -53.874 -4.827 1.00 0.00 WAT1 ATOM 5509 H2 TIP3 1034 26.550 -54.226 -5.584 1.00 0.00 WAT1 ATOM 5510 OH2 TIP3 1035 24.320 -53.040 2.340 1.00 0.00 WAT1 ATOM 5511 H1 TIP3 1035 23.888 -52.174 2.475 1.00 0.00 WAT1 ATOM 5512 H2 TIP3 1035 24.539 -53.053 1.382 1.00 0.00 WAT1 ATOM 5513 OH2 TIP3 1036 23.982 -52.764 -4.572 1.00 0.00 WAT1 ATOM 5514 H1 TIP3 1036 23.475 -53.090 -3.801 1.00 0.00 WAT1 ATOM 5515 H2 TIP3 1036 23.471 -51.988 -4.883 1.00 0.00 WAT1 ATOM 5516 OH2 TIP3 1037 18.681 -52.126 -9.039 1.00 0.00 WAT1 ATOM 5517 H1 TIP3 1037 18.082 -51.397 -8.818 1.00 0.00 WAT1 ATOM 5518 H2 TIP3 1037 19.506 -51.920 -8.538 1.00 0.00 WAT1 ATOM 5519 OH2 TIP3 1038 23.416 -52.286 7.627 1.00 0.00 WAT1 ATOM 5520 H1 TIP3 1038 23.515 -52.520 6.681 1.00 0.00 WAT1 ATOM 5521 H2 TIP3 1038 22.776 -52.924 7.962 1.00 0.00 WAT1 ATOM 5522 OH2 TIP3 1039 18.777 -56.057 4.459 1.00 0.00 WAT1 ATOM 5523 H1 TIP3 1039 19.356 -56.430 5.156 1.00 0.00 WAT1 ATOM 5524 H2 TIP3 1039 18.097 -56.754 4.317 1.00 0.00 WAT1 ATOM 5525 OH2 TIP3 1040 19.156 -59.703 3.341 1.00 0.00 WAT1 ATOM 5526 H1 TIP3 1040 19.208 -60.285 4.136 1.00 0.00 WAT1 ATOM 5527 H2 TIP3 1040 18.422 -59.088 3.547 1.00 0.00 WAT1 ATOM 5528 OH2 TIP3 1041 15.627 -61.144 -2.073 1.00 0.00 WAT1 ATOM 5529 H1 TIP3 1041 15.715 -61.433 -1.129 1.00 0.00 WAT1 ATOM 5530 H2 TIP3 1041 16.081 -61.831 -2.573 1.00 0.00 WAT1 ATOM 5531 OH2 TIP3 1042 15.871 -61.915 0.503 1.00 0.00 WAT1 ATOM 5532 H1 TIP3 1042 15.362 -62.034 1.328 1.00 0.00 WAT1 ATOM 5533 H2 TIP3 1042 16.790 -61.763 0.809 1.00 0.00 WAT1 ATOM 5534 OH2 TIP3 1043 24.599 -53.225 -0.400 1.00 0.00 WAT1 ATOM 5535 H1 TIP3 1043 23.859 -53.390 -1.026 1.00 0.00 WAT1 ATOM 5536 H2 TIP3 1043 25.219 -52.688 -0.906 1.00 0.00 WAT1 ATOM 5537 OH2 TIP3 1044 20.939 -51.178 -7.700 1.00 0.00 WAT1 ATOM 5538 H1 TIP3 1044 21.291 -50.332 -8.049 1.00 0.00 WAT1 ATOM 5539 H2 TIP3 1044 21.517 -51.382 -6.947 1.00 0.00 WAT1 ATOM 5540 OH2 TIP3 1045 20.685 -49.150 -11.150 1.00 0.00 WAT1 ATOM 5541 H1 TIP3 1045 21.130 -49.211 -10.282 1.00 0.00 WAT1 ATOM 5542 H2 TIP3 1045 20.955 -48.277 -11.495 1.00 0.00 WAT1 ATOM 5543 OH2 TIP3 1046 17.490 -54.629 7.889 1.00 0.00 WAT1 ATOM 5544 H1 TIP3 1046 17.969 -55.422 8.201 1.00 0.00 WAT1 ATOM 5545 H2 TIP3 1046 18.180 -54.064 7.515 1.00 0.00 WAT1 ATOM 5546 OH2 TIP3 1047 20.866 -57.092 5.921 1.00 0.00 WAT1 ATOM 5547 H1 TIP3 1047 21.074 -56.174 6.208 1.00 0.00 WAT1 ATOM 5548 H2 TIP3 1047 21.364 -57.198 5.089 1.00 0.00 WAT1 ATOM 5549 OH2 TIP3 1048 21.215 -54.378 6.105 1.00 0.00 WAT1 ATOM 5550 H1 TIP3 1048 20.465 -53.868 5.735 1.00 0.00 WAT1 ATOM 5551 H2 TIP3 1048 22.003 -53.973 5.688 1.00 0.00 WAT1 ATOM 5552 OH2 TIP3 1049 23.264 -52.940 4.935 1.00 0.00 WAT1 ATOM 5553 H1 TIP3 1049 22.853 -52.171 4.487 1.00 0.00 WAT1 ATOM 5554 H2 TIP3 1049 23.881 -53.296 4.267 1.00 0.00 WAT1 ATOM 5555 OH2 TIP3 1050 19.766 -58.847 9.819 1.00 0.00 WAT1 ATOM 5556 H1 TIP3 1050 19.988 -59.123 8.898 1.00 0.00 WAT1 ATOM 5557 H2 TIP3 1050 20.518 -59.138 10.340 1.00 0.00 WAT1 ATOM 5558 OH2 TIP3 1051 22.064 -54.494 1.792 1.00 0.00 WAT1 ATOM 5559 H1 TIP3 1051 21.718 -53.751 1.253 1.00 0.00 WAT1 ATOM 5560 H2 TIP3 1051 22.935 -54.175 2.099 1.00 0.00 WAT1 ATOM 5561 OH2 TIP3 1052 15.709 -49.359 12.227 1.00 0.00 WAT1 ATOM 5562 H1 TIP3 1052 15.889 -50.014 11.511 1.00 0.00 WAT1 ATOM 5563 H2 TIP3 1052 16.454 -48.723 12.163 1.00 0.00 WAT1 ATOM 5564 OH2 TIP3 1053 14.739 -50.998 17.370 1.00 0.00 WAT1 ATOM 5565 H1 TIP3 1053 14.032 -51.604 17.079 1.00 0.00 WAT1 ATOM 5566 H2 TIP3 1053 15.149 -50.700 16.544 1.00 0.00 WAT1 ATOM 5567 OH2 TIP3 1054 17.522 -48.953 8.905 1.00 0.00 WAT1 ATOM 5568 H1 TIP3 1054 17.940 -49.578 8.275 1.00 0.00 WAT1 ATOM 5569 H2 TIP3 1054 18.216 -48.278 9.068 1.00 0.00 WAT1 ATOM 5570 OH2 TIP3 1055 18.722 -50.955 7.445 1.00 0.00 WAT1 ATOM 5571 H1 TIP3 1055 18.661 -50.895 6.476 1.00 0.00 WAT1 ATOM 5572 H2 TIP3 1055 19.551 -50.487 7.656 1.00 0.00 WAT1 ATOM 5573 OH2 TIP3 1056 14.144 -40.301 -15.178 1.00 0.00 WAT1 ATOM 5574 H1 TIP3 1056 14.890 -40.941 -15.119 1.00 0.00 WAT1 ATOM 5575 H2 TIP3 1056 14.571 -39.463 -15.471 1.00 0.00 WAT1 ATOM 5576 OH2 TIP3 1057 18.726 -46.591 -13.155 1.00 0.00 WAT1 ATOM 5577 H1 TIP3 1057 18.317 -47.138 -12.456 1.00 0.00 WAT1 ATOM 5578 H2 TIP3 1057 19.667 -46.526 -12.885 1.00 0.00 WAT1 ATOM 5579 OH2 TIP3 1058 17.089 -44.454 -13.841 1.00 0.00 WAT1 ATOM 5580 H1 TIP3 1058 17.750 -45.171 -13.736 1.00 0.00 WAT1 ATOM 5581 H2 TIP3 1058 16.236 -44.929 -13.920 1.00 0.00 WAT1 ATOM 5582 OH2 TIP3 1059 14.908 -46.185 -13.931 1.00 0.00 WAT1 ATOM 5583 H1 TIP3 1059 14.327 -46.080 -14.714 1.00 0.00 WAT1 ATOM 5584 H2 TIP3 1059 15.302 -47.062 -14.048 1.00 0.00 WAT1 ATOM 5585 OH2 TIP3 1060 16.924 -42.786 0.420 1.00 0.00 WAT1 ATOM 5586 H1 TIP3 1060 16.866 -43.777 0.446 1.00 0.00 WAT1 ATOM 5587 H2 TIP3 1060 16.948 -42.532 1.354 1.00 0.00 WAT1 ATOM 5588 OH2 TIP3 1061 17.286 -39.123 -1.672 1.00 0.00 WAT1 ATOM 5589 H1 TIP3 1061 16.762 -38.618 -2.306 1.00 0.00 WAT1 ATOM 5590 H2 TIP3 1061 16.864 -40.007 -1.667 1.00 0.00 WAT1 ATOM 5591 OH2 TIP3 1062 21.967 -44.801 -5.608 1.00 0.00 WAT1 ATOM 5592 H1 TIP3 1062 21.802 -43.845 -5.680 1.00 0.00 WAT1 ATOM 5593 H2 TIP3 1062 21.155 -45.146 -5.183 1.00 0.00 WAT1 ATOM 5594 OH2 TIP3 1063 23.028 -45.080 -0.251 1.00 0.00 WAT1 ATOM 5595 H1 TIP3 1063 23.982 -44.971 -0.292 1.00 0.00 WAT1 ATOM 5596 H2 TIP3 1063 22.870 -45.958 -0.661 1.00 0.00 WAT1 ATOM 5597 OH2 TIP3 1064 22.261 -39.629 -1.128 1.00 0.00 WAT1 ATOM 5598 H1 TIP3 1064 21.775 -39.657 -1.982 1.00 0.00 WAT1 ATOM 5599 H2 TIP3 1064 22.203 -40.548 -0.791 1.00 0.00 WAT1 ATOM 5600 OH2 TIP3 1065 18.935 -38.251 0.299 1.00 0.00 WAT1 ATOM 5601 H1 TIP3 1065 18.439 -38.611 -0.477 1.00 0.00 WAT1 ATOM 5602 H2 TIP3 1065 18.257 -37.815 0.828 1.00 0.00 WAT1 ATOM 5603 OH2 TIP3 1066 18.796 -37.430 -6.314 1.00 0.00 WAT1 ATOM 5604 H1 TIP3 1066 19.331 -37.073 -5.574 1.00 0.00 WAT1 ATOM 5605 H2 TIP3 1066 17.871 -37.337 -6.008 1.00 0.00 WAT1 ATOM 5606 OH2 TIP3 1067 22.629 -47.751 -1.155 1.00 0.00 WAT1 ATOM 5607 H1 TIP3 1067 22.223 -48.406 -0.560 1.00 0.00 WAT1 ATOM 5608 H2 TIP3 1067 21.893 -47.478 -1.746 1.00 0.00 WAT1 ATOM 5609 OH2 TIP3 1068 20.694 -43.274 -8.209 1.00 0.00 WAT1 ATOM 5610 H1 TIP3 1068 21.075 -42.420 -8.441 1.00 0.00 WAT1 ATOM 5611 H2 TIP3 1068 20.413 -43.162 -7.270 1.00 0.00 WAT1 ATOM 5612 OH2 TIP3 1069 20.841 -39.311 -3.460 1.00 0.00 WAT1 ATOM 5613 H1 TIP3 1069 20.507 -38.401 -3.563 1.00 0.00 WAT1 ATOM 5614 H2 TIP3 1069 20.374 -39.813 -4.152 1.00 0.00 WAT1 ATOM 5615 OH2 TIP3 1070 21.654 -42.223 -0.248 1.00 0.00 WAT1 ATOM 5616 H1 TIP3 1070 20.785 -42.464 -0.639 1.00 0.00 WAT1 ATOM 5617 H2 TIP3 1070 22.103 -43.077 -0.125 1.00 0.00 WAT1 ATOM 5618 OH2 TIP3 1071 20.362 -40.383 1.545 1.00 0.00 WAT1 ATOM 5619 H1 TIP3 1071 19.850 -39.781 0.977 1.00 0.00 WAT1 ATOM 5620 H2 TIP3 1071 20.790 -41.000 0.922 1.00 0.00 WAT1 ATOM 5621 OH2 TIP3 1072 15.887 -41.493 -1.741 1.00 0.00 WAT1 ATOM 5622 H1 TIP3 1072 15.977 -41.940 -0.873 1.00 0.00 WAT1 ATOM 5623 H2 TIP3 1072 14.928 -41.216 -1.778 1.00 0.00 WAT1 ATOM 5624 OH2 TIP3 1073 19.136 -40.075 -5.544 1.00 0.00 WAT1 ATOM 5625 H1 TIP3 1073 19.154 -39.198 -5.984 1.00 0.00 WAT1 ATOM 5626 H2 TIP3 1073 18.182 -40.256 -5.417 1.00 0.00 WAT1 ATOM 5627 OH2 TIP3 1074 21.945 -36.755 2.849 1.00 0.00 WAT1 ATOM 5628 H1 TIP3 1074 22.000 -37.674 3.210 1.00 0.00 WAT1 ATOM 5629 H2 TIP3 1074 21.803 -36.889 1.887 1.00 0.00 WAT1 ATOM 5630 OH2 TIP3 1075 19.429 -45.381 -0.489 1.00 0.00 WAT1 ATOM 5631 H1 TIP3 1075 18.597 -45.450 0.047 1.00 0.00 WAT1 ATOM 5632 H2 TIP3 1075 19.448 -44.445 -0.778 1.00 0.00 WAT1 ATOM 5633 OH2 TIP3 1076 20.230 -42.604 -5.610 1.00 0.00 WAT1 ATOM 5634 H1 TIP3 1076 19.812 -43.176 -4.935 1.00 0.00 WAT1 ATOM 5635 H2 TIP3 1076 19.831 -41.719 -5.458 1.00 0.00 WAT1 ATOM 5636 OH2 TIP3 1077 18.020 -48.087 -6.323 1.00 0.00 WAT1 ATOM 5637 H1 TIP3 1077 18.505 -47.907 -7.149 1.00 0.00 WAT1 ATOM 5638 H2 TIP3 1077 17.260 -47.479 -6.356 1.00 0.00 WAT1 ATOM 5639 OH2 TIP3 1078 23.954 -46.201 -4.394 1.00 0.00 WAT1 ATOM 5640 H1 TIP3 1078 23.187 -45.821 -4.874 1.00 0.00 WAT1 ATOM 5641 H2 TIP3 1078 24.581 -45.479 -4.347 1.00 0.00 WAT1 ATOM 5642 OH2 TIP3 1079 19.595 -45.035 -4.210 1.00 0.00 WAT1 ATOM 5643 H1 TIP3 1079 18.631 -45.152 -4.102 1.00 0.00 WAT1 ATOM 5644 H2 TIP3 1079 19.984 -45.702 -3.603 1.00 0.00 WAT1 ATOM 5645 OH2 TIP3 1080 22.473 -50.540 -5.237 1.00 0.00 WAT1 ATOM 5646 H1 TIP3 1080 23.016 -49.994 -4.618 1.00 0.00 WAT1 ATOM 5647 H2 TIP3 1080 21.739 -49.962 -5.474 1.00 0.00 WAT1 ATOM 5648 OH2 TIP3 1081 20.517 -49.817 -0.683 1.00 0.00 WAT1 ATOM 5649 H1 TIP3 1081 19.846 -49.813 0.044 1.00 0.00 WAT1 ATOM 5650 H2 TIP3 1081 19.997 -49.630 -1.483 1.00 0.00 WAT1 ATOM 5651 OH2 TIP3 1082 19.155 -42.739 -1.205 1.00 0.00 WAT1 ATOM 5652 H1 TIP3 1082 18.377 -42.613 -0.618 1.00 0.00 WAT1 ATOM 5653 H2 TIP3 1082 18.826 -42.503 -2.093 1.00 0.00 WAT1 ATOM 5654 OH2 TIP3 1083 23.647 -34.597 -0.966 1.00 0.00 WAT1 ATOM 5655 H1 TIP3 1083 23.296 -35.219 -1.640 1.00 0.00 WAT1 ATOM 5656 H2 TIP3 1083 23.598 -35.097 -0.141 1.00 0.00 WAT1 ATOM 5657 OH2 TIP3 1084 19.632 -45.006 -10.011 1.00 0.00 WAT1 ATOM 5658 H1 TIP3 1084 19.946 -44.378 -9.321 1.00 0.00 WAT1 ATOM 5659 H2 TIP3 1084 18.883 -44.530 -10.442 1.00 0.00 WAT1 ATOM 5660 OH2 TIP3 1085 21.499 -37.349 0.166 1.00 0.00 WAT1 ATOM 5661 H1 TIP3 1085 20.543 -37.569 0.249 1.00 0.00 WAT1 ATOM 5662 H2 TIP3 1085 21.915 -38.201 -0.103 1.00 0.00 WAT1 ATOM 5663 OH2 TIP3 1086 20.214 -36.626 -3.990 1.00 0.00 WAT1 ATOM 5664 H1 TIP3 1086 21.108 -36.554 -3.596 1.00 0.00 WAT1 ATOM 5665 H2 TIP3 1086 19.750 -35.826 -3.669 1.00 0.00 WAT1 ATOM 5666 OH2 TIP3 1087 22.241 -45.875 -8.159 1.00 0.00 WAT1 ATOM 5667 H1 TIP3 1087 21.725 -45.133 -8.500 1.00 0.00 WAT1 ATOM 5668 H2 TIP3 1087 22.313 -45.692 -7.202 1.00 0.00 WAT1 ATOM 5669 OH2 TIP3 1088 19.104 -47.493 -8.825 1.00 0.00 WAT1 ATOM 5670 H1 TIP3 1088 19.268 -46.580 -9.141 1.00 0.00 WAT1 ATOM 5671 H2 TIP3 1088 18.543 -47.884 -9.512 1.00 0.00 WAT1 ATOM 5672 OH2 TIP3 1089 16.096 -37.494 -5.664 1.00 0.00 WAT1 ATOM 5673 H1 TIP3 1089 15.812 -38.064 -6.409 1.00 0.00 WAT1 ATOM 5674 H2 TIP3 1089 15.665 -37.895 -4.880 1.00 0.00 WAT1 ATOM 5675 OH2 TIP3 1090 20.450 -33.006 1.854 1.00 0.00 WAT1 ATOM 5676 H1 TIP3 1090 19.835 -33.258 2.568 1.00 0.00 WAT1 ATOM 5677 H2 TIP3 1090 21.304 -33.401 2.122 1.00 0.00 WAT1 ATOM 5678 OH2 TIP3 1091 21.730 -39.335 3.658 1.00 0.00 WAT1 ATOM 5679 H1 TIP3 1091 21.241 -39.762 2.917 1.00 0.00 WAT1 ATOM 5680 H2 TIP3 1091 21.503 -39.874 4.432 1.00 0.00 WAT1 ATOM 5681 OH2 TIP3 1092 20.369 -46.981 -2.443 1.00 0.00 WAT1 ATOM 5682 H1 TIP3 1092 19.773 -47.752 -2.510 1.00 0.00 WAT1 ATOM 5683 H2 TIP3 1092 20.027 -46.476 -1.666 1.00 0.00 WAT1 ATOM 5684 OH2 TIP3 1093 21.147 -46.500 1.318 1.00 0.00 WAT1 ATOM 5685 H1 TIP3 1093 21.914 -45.953 1.089 1.00 0.00 WAT1 ATOM 5686 H2 TIP3 1093 20.427 -46.139 0.763 1.00 0.00 WAT1 ATOM 5687 OH2 TIP3 1094 22.428 -51.066 2.981 1.00 0.00 WAT1 ATOM 5688 H1 TIP3 1094 22.011 -51.433 2.179 1.00 0.00 WAT1 ATOM 5689 H2 TIP3 1094 21.953 -50.223 3.128 1.00 0.00 WAT1 ATOM 5690 OH2 TIP3 1095 18.446 -46.746 5.344 1.00 0.00 WAT1 ATOM 5691 H1 TIP3 1095 18.636 -47.581 4.908 1.00 0.00 WAT1 ATOM 5692 H2 TIP3 1095 18.208 -46.136 4.605 1.00 0.00 WAT1 ATOM 5693 OH2 TIP3 1096 20.606 -48.845 2.683 1.00 0.00 WAT1 ATOM 5694 H1 TIP3 1096 20.789 -47.968 2.274 1.00 0.00 WAT1 ATOM 5695 H2 TIP3 1096 19.857 -49.205 2.156 1.00 0.00 WAT1 ATOM 5696 OH2 TIP3 1097 17.603 -45.075 3.382 1.00 0.00 WAT1 ATOM 5697 H1 TIP3 1097 17.064 -44.285 3.532 1.00 0.00 WAT1 ATOM 5698 H2 TIP3 1097 17.479 -45.272 2.425 1.00 0.00 WAT1 ATOM 5699 OH2 TIP3 1098 20.644 -48.945 7.337 1.00 0.00 WAT1 ATOM 5700 H1 TIP3 1098 20.465 -49.128 6.395 1.00 0.00 WAT1 ATOM 5701 H2 TIP3 1098 21.607 -49.118 7.440 1.00 0.00 WAT1 ATOM 5702 OH2 TIP3 1099 17.666 -35.914 -8.708 1.00 0.00 WAT1 ATOM 5703 H1 TIP3 1099 17.249 -35.398 -7.989 1.00 0.00 WAT1 ATOM 5704 H2 TIP3 1099 18.287 -36.501 -8.248 1.00 0.00 WAT1 ATOM 5705 OH2 TIP3 1100 16.560 -32.809 -3.952 1.00 0.00 WAT1 ATOM 5706 H1 TIP3 1100 16.878 -32.586 -3.049 1.00 0.00 WAT1 ATOM 5707 H2 TIP3 1100 15.916 -33.542 -3.803 1.00 0.00 WAT1 ATOM 5708 OH2 TIP3 1101 14.765 -38.798 -3.571 1.00 0.00 WAT1 ATOM 5709 H1 TIP3 1101 14.482 -37.960 -3.156 1.00 0.00 WAT1 ATOM 5710 H2 TIP3 1101 14.228 -39.485 -3.095 1.00 0.00 WAT1 ATOM 5711 OH2 TIP3 1102 23.875 -33.791 5.261 1.00 0.00 WAT1 ATOM 5712 H1 TIP3 1102 23.171 -33.913 5.937 1.00 0.00 WAT1 ATOM 5713 H2 TIP3 1102 24.690 -34.143 5.696 1.00 0.00 WAT1 ATOM 5714 OH2 TIP3 1103 24.253 -32.573 1.096 1.00 0.00 WAT1 ATOM 5715 H1 TIP3 1103 23.778 -33.139 1.739 1.00 0.00 WAT1 ATOM 5716 H2 TIP3 1103 24.374 -33.144 0.322 1.00 0.00 WAT1 ATOM 5717 OH2 TIP3 1104 22.440 -36.688 -2.302 1.00 0.00 WAT1 ATOM 5718 H1 TIP3 1104 22.807 -37.563 -2.500 1.00 0.00 WAT1 ATOM 5719 H2 TIP3 1104 21.982 -36.811 -1.440 1.00 0.00 WAT1 ATOM 5720 OH2 TIP3 1105 21.610 -48.600 -8.563 1.00 0.00 WAT1 ATOM 5721 H1 TIP3 1105 20.695 -48.266 -8.455 1.00 0.00 WAT1 ATOM 5722 H2 TIP3 1105 22.166 -47.808 -8.422 1.00 0.00 WAT1 ATOM 5723 OH2 TIP3 1106 23.641 -48.776 -3.544 1.00 0.00 WAT1 ATOM 5724 H1 TIP3 1106 23.837 -47.895 -3.933 1.00 0.00 WAT1 ATOM 5725 H2 TIP3 1106 23.400 -48.576 -2.621 1.00 0.00 WAT1 ATOM 5726 OH2 TIP3 1107 16.511 -34.895 -6.431 1.00 0.00 WAT1 ATOM 5727 H1 TIP3 1107 16.324 -35.806 -6.107 1.00 0.00 WAT1 ATOM 5728 H2 TIP3 1107 15.953 -34.332 -5.880 1.00 0.00 WAT1 ATOM 5729 OH2 TIP3 1108 21.139 -46.458 -11.788 1.00 0.00 WAT1 ATOM 5730 H1 TIP3 1108 20.678 -45.935 -11.091 1.00 0.00 WAT1 ATOM 5731 H2 TIP3 1108 22.042 -46.121 -11.777 1.00 0.00 WAT1 ATOM 5732 OH2 TIP3 1109 19.568 -50.021 4.889 1.00 0.00 WAT1 ATOM 5733 H1 TIP3 1109 19.973 -49.444 4.206 1.00 0.00 WAT1 ATOM 5734 H2 TIP3 1109 19.392 -50.850 4.414 1.00 0.00 WAT1 ATOM 5735 OH2 TIP3 1110 18.575 -40.886 15.686 1.00 0.00 WAT1 ATOM 5736 H1 TIP3 1110 18.610 -40.156 16.335 1.00 0.00 WAT1 ATOM 5737 H2 TIP3 1110 18.414 -40.434 14.824 1.00 0.00 WAT1 ATOM 5738 OH2 TIP3 1111 18.168 -37.449 15.155 1.00 0.00 WAT1 ATOM 5739 H1 TIP3 1111 18.127 -38.188 14.506 1.00 0.00 WAT1 ATOM 5740 H2 TIP3 1111 18.523 -37.869 15.971 1.00 0.00 WAT1 ATOM 5741 OH2 TIP3 1112 22.259 -45.248 11.307 1.00 0.00 WAT1 ATOM 5742 H1 TIP3 1112 21.978 -44.306 11.262 1.00 0.00 WAT1 ATOM 5743 H2 TIP3 1112 23.125 -45.251 10.897 1.00 0.00 WAT1 ATOM 5744 OH2 TIP3 1113 21.858 -42.570 10.885 1.00 0.00 WAT1 ATOM 5745 H1 TIP3 1113 21.578 -42.310 9.983 1.00 0.00 WAT1 ATOM 5746 H2 TIP3 1113 21.413 -41.920 11.470 1.00 0.00 WAT1 ATOM 5747 OH2 TIP3 1114 23.182 -36.776 17.716 1.00 0.00 WAT1 ATOM 5748 H1 TIP3 1114 23.863 -36.154 17.992 1.00 0.00 WAT1 ATOM 5749 H2 TIP3 1114 22.927 -36.467 16.812 1.00 0.00 WAT1 ATOM 5750 OH2 TIP3 1115 19.477 -46.418 15.080 1.00 0.00 WAT1 ATOM 5751 H1 TIP3 1115 20.041 -47.011 14.560 1.00 0.00 WAT1 ATOM 5752 H2 TIP3 1115 19.086 -45.814 14.408 1.00 0.00 WAT1 ATOM 5753 OH2 TIP3 1116 22.744 -33.576 18.307 1.00 0.00 WAT1 ATOM 5754 H1 TIP3 1116 22.321 -33.359 19.170 1.00 0.00 WAT1 ATOM 5755 H2 TIP3 1116 22.296 -34.380 18.020 1.00 0.00 WAT1 ATOM 5756 OH2 TIP3 1117 20.715 -41.759 8.497 1.00 0.00 WAT1 ATOM 5757 H1 TIP3 1117 19.944 -41.253 8.846 1.00 0.00 WAT1 ATOM 5758 H2 TIP3 1117 20.921 -41.318 7.648 1.00 0.00 WAT1 ATOM 5759 OH2 TIP3 1118 22.769 -35.590 15.306 1.00 0.00 WAT1 ATOM 5760 H1 TIP3 1118 22.176 -35.596 14.527 1.00 0.00 WAT1 ATOM 5761 H2 TIP3 1118 23.624 -35.254 14.953 1.00 0.00 WAT1 ATOM 5762 OH2 TIP3 1119 22.786 -39.280 18.715 1.00 0.00 WAT1 ATOM 5763 H1 TIP3 1119 22.831 -38.396 18.276 1.00 0.00 WAT1 ATOM 5764 H2 TIP3 1119 23.283 -39.160 19.531 1.00 0.00 WAT1 ATOM 5765 OH2 TIP3 1120 20.226 -40.426 18.944 1.00 0.00 WAT1 ATOM 5766 H1 TIP3 1120 21.165 -40.151 18.897 1.00 0.00 WAT1 ATOM 5767 H2 TIP3 1120 20.250 -41.399 18.774 1.00 0.00 WAT1 ATOM 5768 OH2 TIP3 1121 19.256 -37.393 12.139 1.00 0.00 WAT1 ATOM 5769 H1 TIP3 1121 19.551 -37.648 11.256 1.00 0.00 WAT1 ATOM 5770 H2 TIP3 1121 18.921 -38.237 12.533 1.00 0.00 WAT1 ATOM 5771 OH2 TIP3 1122 17.230 -35.794 17.266 1.00 0.00 WAT1 ATOM 5772 H1 TIP3 1122 17.236 -36.441 17.990 1.00 0.00 WAT1 ATOM 5773 H2 TIP3 1122 17.598 -36.287 16.505 1.00 0.00 WAT1 ATOM 5774 OH2 TIP3 1123 27.406 -33.278 8.633 1.00 0.00 WAT1 ATOM 5775 H1 TIP3 1123 28.314 -33.199 8.941 1.00 0.00 WAT1 ATOM 5776 H2 TIP3 1123 26.919 -32.628 9.152 1.00 0.00 WAT1 ATOM 5777 OH2 TIP3 1124 21.075 -32.843 13.799 1.00 0.00 WAT1 ATOM 5778 H1 TIP3 1124 20.166 -32.502 13.616 1.00 0.00 WAT1 ATOM 5779 H2 TIP3 1124 21.016 -33.803 13.597 1.00 0.00 WAT1 ATOM 5780 OH2 TIP3 1125 22.117 -43.723 16.075 1.00 0.00 WAT1 ATOM 5781 H1 TIP3 1125 22.584 -43.017 16.572 1.00 0.00 WAT1 ATOM 5782 H2 TIP3 1125 21.836 -44.354 16.759 1.00 0.00 WAT1 ATOM 5783 OH2 TIP3 1126 20.209 -41.118 12.469 1.00 0.00 WAT1 ATOM 5784 H1 TIP3 1126 20.229 -41.724 13.237 1.00 0.00 WAT1 ATOM 5785 H2 TIP3 1126 19.417 -40.560 12.625 1.00 0.00 WAT1 ATOM 5786 OH2 TIP3 1127 23.248 -41.469 17.128 1.00 0.00 WAT1 ATOM 5787 H1 TIP3 1127 23.079 -40.698 17.707 1.00 0.00 WAT1 ATOM 5788 H2 TIP3 1127 23.668 -41.093 16.350 1.00 0.00 WAT1 ATOM 5789 OH2 TIP3 1128 23.239 -49.590 7.855 1.00 0.00 WAT1 ATOM 5790 H1 TIP3 1128 23.323 -50.570 7.795 1.00 0.00 WAT1 ATOM 5791 H2 TIP3 1128 23.999 -49.320 8.375 1.00 0.00 WAT1 ATOM 5792 OH2 TIP3 1129 15.613 -46.630 14.332 1.00 0.00 WAT1 ATOM 5793 H1 TIP3 1129 16.300 -46.959 13.710 1.00 0.00 WAT1 ATOM 5794 H2 TIP3 1129 16.109 -46.066 14.956 1.00 0.00 WAT1 ATOM 5795 OH2 TIP3 1130 17.288 -45.570 7.512 1.00 0.00 WAT1 ATOM 5796 H1 TIP3 1130 17.720 -45.993 6.735 1.00 0.00 WAT1 ATOM 5797 H2 TIP3 1130 18.001 -45.054 7.931 1.00 0.00 WAT1 ATOM 5798 OH2 TIP3 1131 18.302 -44.668 13.335 1.00 0.00 WAT1 ATOM 5799 H1 TIP3 1131 18.884 -44.040 13.822 1.00 0.00 WAT1 ATOM 5800 H2 TIP3 1131 18.196 -44.249 12.452 1.00 0.00 WAT1 ATOM 5801 OH2 TIP3 1132 18.489 -42.989 11.214 1.00 0.00 WAT1 ATOM 5802 H1 TIP3 1132 19.320 -42.550 11.470 1.00 0.00 WAT1 ATOM 5803 H2 TIP3 1132 17.820 -42.269 11.256 1.00 0.00 WAT1 ATOM 5804 OH2 TIP3 1133 18.629 -38.781 17.465 1.00 0.00 WAT1 ATOM 5805 H1 TIP3 1133 17.890 -38.809 18.097 1.00 0.00 WAT1 ATOM 5806 H2 TIP3 1133 19.372 -39.208 17.950 1.00 0.00 WAT1 ATOM 5807 OH2 TIP3 1134 22.203 -35.176 10.619 1.00 0.00 WAT1 ATOM 5808 H1 TIP3 1134 22.167 -34.262 10.264 1.00 0.00 WAT1 ATOM 5809 H2 TIP3 1134 22.634 -35.682 9.924 1.00 0.00 WAT1 ATOM 5810 OH2 TIP3 1135 21.082 -35.522 13.060 1.00 0.00 WAT1 ATOM 5811 H1 TIP3 1135 21.562 -35.378 12.208 1.00 0.00 WAT1 ATOM 5812 H2 TIP3 1135 20.488 -36.277 12.869 1.00 0.00 WAT1 ATOM 5813 OH2 TIP3 1136 18.830 -33.914 11.261 1.00 0.00 WAT1 ATOM 5814 H1 TIP3 1136 19.165 -33.600 10.405 1.00 0.00 WAT1 ATOM 5815 H2 TIP3 1136 18.927 -33.137 11.854 1.00 0.00 WAT1 ATOM 5816 OH2 TIP3 1137 21.503 -29.687 18.070 1.00 0.00 WAT1 ATOM 5817 H1 TIP3 1137 20.671 -29.413 17.634 1.00 0.00 WAT1 ATOM 5818 H2 TIP3 1137 21.434 -29.315 18.971 1.00 0.00 WAT1 ATOM 5819 OH2 TIP3 1138 20.730 -36.163 5.281 1.00 0.00 WAT1 ATOM 5820 H1 TIP3 1138 21.143 -36.300 4.403 1.00 0.00 WAT1 ATOM 5821 H2 TIP3 1138 21.381 -35.639 5.771 1.00 0.00 WAT1 ATOM 5822 OH2 TIP3 1139 21.821 -34.027 7.032 1.00 0.00 WAT1 ATOM 5823 H1 TIP3 1139 22.038 -33.571 7.877 1.00 0.00 WAT1 ATOM 5824 H2 TIP3 1139 20.872 -33.890 6.928 1.00 0.00 WAT1 ATOM 5825 OH2 TIP3 1140 18.504 -40.386 9.306 1.00 0.00 WAT1 ATOM 5826 H1 TIP3 1140 17.762 -40.303 8.702 1.00 0.00 WAT1 ATOM 5827 H2 TIP3 1140 18.080 -40.448 10.201 1.00 0.00 WAT1 ATOM 5828 OH2 TIP3 1141 26.109 -34.589 6.602 1.00 0.00 WAT1 ATOM 5829 H1 TIP3 1141 26.523 -34.074 7.330 1.00 0.00 WAT1 ATOM 5830 H2 TIP3 1141 26.700 -35.336 6.478 1.00 0.00 WAT1 ATOM 5831 OH2 TIP3 1142 20.922 -39.928 6.367 1.00 0.00 WAT1 ATOM 5832 H1 TIP3 1142 21.420 -39.186 6.722 1.00 0.00 WAT1 ATOM 5833 H2 TIP3 1142 20.118 -39.513 5.978 1.00 0.00 WAT1 ATOM 5834 OH2 TIP3 1143 19.403 -44.249 8.877 1.00 0.00 WAT1 ATOM 5835 H1 TIP3 1143 19.967 -43.501 8.596 1.00 0.00 WAT1 ATOM 5836 H2 TIP3 1143 18.989 -43.933 9.707 1.00 0.00 WAT1 ATOM 5837 OH2 TIP3 1144 17.619 -32.884 20.542 1.00 0.00 WAT1 ATOM 5838 H1 TIP3 1144 18.272 -32.491 21.158 1.00 0.00 WAT1 ATOM 5839 H2 TIP3 1144 17.931 -32.611 19.665 1.00 0.00 WAT1 ATOM 5840 OH2 TIP3 1145 19.038 -38.327 5.221 1.00 0.00 WAT1 ATOM 5841 H1 TIP3 1145 19.647 -37.557 5.263 1.00 0.00 WAT1 ATOM 5842 H2 TIP3 1145 18.310 -38.020 4.651 1.00 0.00 WAT1 ATOM 5843 OH2 TIP3 1146 22.005 -32.712 9.403 1.00 0.00 WAT1 ATOM 5844 H1 TIP3 1146 21.091 -32.355 9.367 1.00 0.00 WAT1 ATOM 5845 H2 TIP3 1146 22.546 -31.949 9.717 1.00 0.00 WAT1 ATOM 5846 OH2 TIP3 1147 17.622 -47.290 12.538 1.00 0.00 WAT1 ATOM 5847 H1 TIP3 1147 17.682 -46.317 12.594 1.00 0.00 WAT1 ATOM 5848 H2 TIP3 1147 18.526 -47.563 12.273 1.00 0.00 WAT1 ATOM 5849 OH2 TIP3 1148 20.019 -42.936 14.548 1.00 0.00 WAT1 ATOM 5850 H1 TIP3 1148 19.679 -42.257 15.164 1.00 0.00 WAT1 ATOM 5851 H2 TIP3 1148 20.858 -43.247 14.969 1.00 0.00 WAT1 ATOM 5852 OH2 TIP3 1149 15.379 -47.358 8.324 1.00 0.00 WAT1 ATOM 5853 H1 TIP3 1149 16.066 -48.020 8.544 1.00 0.00 WAT1 ATOM 5854 H2 TIP3 1149 15.895 -46.572 8.031 1.00 0.00 WAT1 ATOM 5855 OH2 TIP3 1150 17.220 -45.872 16.646 1.00 0.00 WAT1 ATOM 5856 H1 TIP3 1150 17.352 -44.909 16.779 1.00 0.00 WAT1 ATOM 5857 H2 TIP3 1150 18.032 -46.163 16.186 1.00 0.00 WAT1 ATOM 5858 OH2 TIP3 1151 26.711 -34.725 24.449 1.00 0.00 WAT1 ATOM 5859 H1 TIP3 1151 27.077 -35.004 25.289 1.00 0.00 WAT1 ATOM 5860 H2 TIP3 1151 27.380 -34.151 24.075 1.00 0.00 WAT1 ATOM 5861 OH2 TIP3 1152 21.675 -32.738 20.731 1.00 0.00 WAT1 ATOM 5862 H1 TIP3 1152 22.367 -32.542 21.370 1.00 0.00 WAT1 ATOM 5863 H2 TIP3 1152 20.891 -32.266 21.075 1.00 0.00 WAT1 ATOM 5864 OH2 TIP3 1153 22.394 -29.511 15.481 1.00 0.00 WAT1 ATOM 5865 H1 TIP3 1153 22.656 -30.450 15.363 1.00 0.00 WAT1 ATOM 5866 H2 TIP3 1153 22.233 -29.432 16.443 1.00 0.00 WAT1 ATOM 5867 OH2 TIP3 1154 23.829 -31.068 18.852 1.00 0.00 WAT1 ATOM 5868 H1 TIP3 1154 23.039 -30.663 18.444 1.00 0.00 WAT1 ATOM 5869 H2 TIP3 1154 23.711 -32.025 18.695 1.00 0.00 WAT1 ATOM 5870 OH2 TIP3 1155 17.818 -33.674 15.430 1.00 0.00 WAT1 ATOM 5871 H1 TIP3 1155 17.750 -34.103 16.301 1.00 0.00 WAT1 ATOM 5872 H2 TIP3 1155 18.032 -32.742 15.636 1.00 0.00 WAT1 ATOM 5873 OH2 TIP3 1156 23.158 -32.156 15.418 1.00 0.00 WAT1 ATOM 5874 H1 TIP3 1156 22.415 -32.475 14.851 1.00 0.00 WAT1 ATOM 5875 H2 TIP3 1156 23.095 -32.705 16.220 1.00 0.00 WAT1 ATOM 5876 OH2 TIP3 1157 20.293 -47.131 11.834 1.00 0.00 WAT1 ATOM 5877 H1 TIP3 1157 20.048 -47.264 10.892 1.00 0.00 WAT1 ATOM 5878 H2 TIP3 1157 21.015 -46.464 11.796 1.00 0.00 WAT1 ATOM 5879 OH2 TIP3 1158 19.631 -47.158 9.186 1.00 0.00 WAT1 ATOM 5880 H1 TIP3 1158 20.070 -47.620 8.436 1.00 0.00 WAT1 ATOM 5881 H2 TIP3 1158 19.650 -46.213 8.932 1.00 0.00 WAT1 ATOM 5882 OH2 TIP3 1159 19.523 -31.152 21.551 1.00 0.00 WAT1 ATOM 5883 H1 TIP3 1159 19.648 -30.534 22.303 1.00 0.00 WAT1 ATOM 5884 H2 TIP3 1159 19.271 -30.575 20.813 1.00 0.00 WAT1 ATOM 5885 OH2 TIP3 1160 17.715 -24.560 -1.649 1.00 0.00 WAT1 ATOM 5886 H1 TIP3 1160 17.299 -24.447 -2.523 1.00 0.00 WAT1 ATOM 5887 H2 TIP3 1160 18.673 -24.444 -1.820 1.00 0.00 WAT1 ATOM 5888 OH2 TIP3 1161 16.867 -26.593 -7.555 1.00 0.00 WAT1 ATOM 5889 H1 TIP3 1161 16.219 -27.181 -7.116 1.00 0.00 WAT1 ATOM 5890 H2 TIP3 1161 16.718 -26.744 -8.514 1.00 0.00 WAT1 ATOM 5891 OH2 TIP3 1162 22.079 -23.250 -3.928 1.00 0.00 WAT1 ATOM 5892 H1 TIP3 1162 22.956 -22.861 -3.875 1.00 0.00 WAT1 ATOM 5893 H2 TIP3 1162 21.901 -23.312 -4.871 1.00 0.00 WAT1 ATOM 5894 OH2 TIP3 1163 20.328 -29.396 -3.454 1.00 0.00 WAT1 ATOM 5895 H1 TIP3 1163 20.466 -30.364 -3.377 1.00 0.00 WAT1 ATOM 5896 H2 TIP3 1163 20.045 -29.275 -4.372 1.00 0.00 WAT1 ATOM 5897 OH2 TIP3 1164 19.998 -26.628 -3.530 1.00 0.00 WAT1 ATOM 5898 H1 TIP3 1164 19.846 -26.672 -4.493 1.00 0.00 WAT1 ATOM 5899 H2 TIP3 1164 20.239 -27.540 -3.287 1.00 0.00 WAT1 ATOM 5900 OH2 TIP3 1165 19.048 -29.341 0.898 1.00 0.00 WAT1 ATOM 5901 H1 TIP3 1165 18.092 -29.460 1.078 1.00 0.00 WAT1 ATOM 5902 H2 TIP3 1165 19.081 -29.020 -0.012 1.00 0.00 WAT1 ATOM 5903 OH2 TIP3 1166 21.555 -28.403 -0.937 1.00 0.00 WAT1 ATOM 5904 H1 TIP3 1166 21.210 -28.679 -1.804 1.00 0.00 WAT1 ATOM 5905 H2 TIP3 1166 22.020 -29.200 -0.600 1.00 0.00 WAT1 ATOM 5906 OH2 TIP3 1167 22.738 -32.184 -2.003 1.00 0.00 WAT1 ATOM 5907 H1 TIP3 1167 22.759 -32.241 -2.966 1.00 0.00 WAT1 ATOM 5908 H2 TIP3 1167 23.170 -33.013 -1.702 1.00 0.00 WAT1 ATOM 5909 OH2 TIP3 1168 21.212 -24.415 0.724 1.00 0.00 WAT1 ATOM 5910 H1 TIP3 1168 20.428 -23.994 1.149 1.00 0.00 WAT1 ATOM 5911 H2 TIP3 1168 21.006 -24.378 -0.240 1.00 0.00 WAT1 ATOM 5912 OH2 TIP3 1169 19.140 -23.125 1.905 1.00 0.00 WAT1 ATOM 5913 H1 TIP3 1169 19.344 -22.749 2.792 1.00 0.00 WAT1 ATOM 5914 H2 TIP3 1169 18.810 -22.350 1.389 1.00 0.00 WAT1 ATOM 5915 OH2 TIP3 1170 18.181 -20.962 0.579 1.00 0.00 WAT1 ATOM 5916 H1 TIP3 1170 18.464 -20.143 1.044 1.00 0.00 WAT1 ATOM 5917 H2 TIP3 1170 18.065 -20.686 -0.334 1.00 0.00 WAT1 ATOM 5918 OH2 TIP3 1171 17.804 -15.523 3.406 1.00 0.00 WAT1 ATOM 5919 H1 TIP3 1171 17.975 -14.592 3.226 1.00 0.00 WAT1 ATOM 5920 H2 TIP3 1171 17.846 -15.951 2.515 1.00 0.00 WAT1 ATOM 5921 OH2 TIP3 1172 19.241 -18.875 1.911 1.00 0.00 WAT1 ATOM 5922 H1 TIP3 1172 20.154 -18.588 1.810 1.00 0.00 WAT1 ATOM 5923 H2 TIP3 1172 19.112 -18.935 2.888 1.00 0.00 WAT1 ATOM 5924 OH2 TIP3 1173 22.829 -34.213 2.753 1.00 0.00 WAT1 ATOM 5925 H1 TIP3 1173 23.273 -34.067 3.621 1.00 0.00 WAT1 ATOM 5926 H2 TIP3 1173 22.571 -35.164 2.774 1.00 0.00 WAT1 ATOM 5927 OH2 TIP3 1174 22.977 -26.495 0.507 1.00 0.00 WAT1 ATOM 5928 H1 TIP3 1174 22.543 -27.104 -0.132 1.00 0.00 WAT1 ATOM 5929 H2 TIP3 1174 22.332 -25.759 0.606 1.00 0.00 WAT1 ATOM 5930 OH2 TIP3 1175 26.716 -28.309 2.095 1.00 0.00 WAT1 ATOM 5931 H1 TIP3 1175 27.315 -28.944 1.691 1.00 0.00 WAT1 ATOM 5932 H2 TIP3 1175 27.307 -27.722 2.619 1.00 0.00 WAT1 ATOM 5933 OH2 TIP3 1176 17.164 -27.282 -4.025 1.00 0.00 WAT1 ATOM 5934 H1 TIP3 1176 17.696 -27.099 -3.234 1.00 0.00 WAT1 ATOM 5935 H2 TIP3 1176 17.833 -27.437 -4.730 1.00 0.00 WAT1 ATOM 5936 OH2 TIP3 1177 18.982 -27.498 -6.030 1.00 0.00 WAT1 ATOM 5937 H1 TIP3 1177 18.394 -27.016 -6.654 1.00 0.00 WAT1 ATOM 5938 H2 TIP3 1177 19.063 -28.398 -6.427 1.00 0.00 WAT1 ATOM 5939 OH2 TIP3 1178 19.743 -21.938 4.239 1.00 0.00 WAT1 ATOM 5940 H1 TIP3 1178 20.534 -22.185 4.762 1.00 0.00 WAT1 ATOM 5941 H2 TIP3 1178 19.668 -20.966 4.355 1.00 0.00 WAT1 ATOM 5942 OH2 TIP3 1179 18.751 -30.028 -7.003 1.00 0.00 WAT1 ATOM 5943 H1 TIP3 1179 18.637 -30.953 -6.699 1.00 0.00 WAT1 ATOM 5944 H2 TIP3 1179 18.186 -29.970 -7.801 1.00 0.00 WAT1 ATOM 5945 OH2 TIP3 1180 25.798 -25.658 4.364 1.00 0.00 WAT1 ATOM 5946 H1 TIP3 1180 25.582 -25.273 3.491 1.00 0.00 WAT1 ATOM 5947 H2 TIP3 1180 25.070 -26.287 4.530 1.00 0.00 WAT1 ATOM 5948 OH2 TIP3 1181 20.513 -24.434 -1.966 1.00 0.00 WAT1 ATOM 5949 H1 TIP3 1181 21.064 -23.897 -2.576 1.00 0.00 WAT1 ATOM 5950 H2 TIP3 1181 20.391 -25.285 -2.445 1.00 0.00 WAT1 ATOM 5951 OH2 TIP3 1182 24.311 -25.752 6.918 1.00 0.00 WAT1 ATOM 5952 H1 TIP3 1182 23.880 -26.254 6.200 1.00 0.00 WAT1 ATOM 5953 H2 TIP3 1182 25.111 -25.393 6.507 1.00 0.00 WAT1 ATOM 5954 OH2 TIP3 1183 12.162 -14.121 -2.410 1.00 0.00 WAT1 ATOM 5955 H1 TIP3 1183 13.100 -14.344 -2.360 1.00 0.00 WAT1 ATOM 5956 H2 TIP3 1183 12.080 -13.612 -3.258 1.00 0.00 WAT1 ATOM 5957 OH2 TIP3 1184 24.996 -25.042 1.785 1.00 0.00 WAT1 ATOM 5958 H1 TIP3 1184 25.783 -24.996 1.230 1.00 0.00 WAT1 ATOM 5959 H2 TIP3 1184 24.366 -25.588 1.264 1.00 0.00 WAT1 ATOM 5960 OH2 TIP3 1185 17.538 -22.117 5.831 1.00 0.00 WAT1 ATOM 5961 H1 TIP3 1185 18.270 -22.210 5.188 1.00 0.00 WAT1 ATOM 5962 H2 TIP3 1185 16.976 -21.414 5.451 1.00 0.00 WAT1 ATOM 5963 OH2 TIP3 1186 21.327 -26.633 3.266 1.00 0.00 WAT1 ATOM 5964 H1 TIP3 1186 21.255 -25.744 2.890 1.00 0.00 WAT1 ATOM 5965 H2 TIP3 1186 22.083 -26.571 3.880 1.00 0.00 WAT1 ATOM 5966 OH2 TIP3 1187 24.022 -28.328 2.256 1.00 0.00 WAT1 ATOM 5967 H1 TIP3 1187 23.768 -27.669 1.573 1.00 0.00 WAT1 ATOM 5968 H2 TIP3 1187 25.004 -28.399 2.167 1.00 0.00 WAT1 ATOM 5969 OH2 TIP3 1188 22.760 -23.950 3.004 1.00 0.00 WAT1 ATOM 5970 H1 TIP3 1188 23.669 -24.168 2.719 1.00 0.00 WAT1 ATOM 5971 H2 TIP3 1188 22.254 -23.906 2.168 1.00 0.00 WAT1 ATOM 5972 OH2 TIP3 1189 22.716 -30.570 0.171 1.00 0.00 WAT1 ATOM 5973 H1 TIP3 1189 23.391 -31.088 0.667 1.00 0.00 WAT1 ATOM 5974 H2 TIP3 1189 22.622 -31.064 -0.677 1.00 0.00 WAT1 ATOM 5975 OH2 TIP3 1190 28.244 -26.631 3.605 1.00 0.00 WAT1 ATOM 5976 H1 TIP3 1190 27.429 -26.216 3.961 1.00 0.00 WAT1 ATOM 5977 H2 TIP3 1190 28.957 -26.199 4.083 1.00 0.00 WAT1 ATOM 5978 OH2 TIP3 1191 24.275 -31.090 5.269 1.00 0.00 WAT1 ATOM 5979 H1 TIP3 1191 24.139 -32.063 5.262 1.00 0.00 WAT1 ATOM 5980 H2 TIP3 1191 25.012 -30.953 4.664 1.00 0.00 WAT1 ATOM 5981 OH2 TIP3 1192 19.377 -31.986 9.191 1.00 0.00 WAT1 ATOM 5982 H1 TIP3 1192 18.604 -31.984 8.611 1.00 0.00 WAT1 ATOM 5983 H2 TIP3 1192 19.180 -31.284 9.859 1.00 0.00 WAT1 ATOM 5984 OH2 TIP3 1193 16.933 -24.387 0.942 1.00 0.00 WAT1 ATOM 5985 H1 TIP3 1193 17.717 -23.954 1.345 1.00 0.00 WAT1 ATOM 5986 H2 TIP3 1193 17.150 -24.423 -0.021 1.00 0.00 WAT1 ATOM 5987 OH2 TIP3 1194 15.406 -30.383 -4.308 1.00 0.00 WAT1 ATOM 5988 H1 TIP3 1194 15.693 -31.316 -4.384 1.00 0.00 WAT1 ATOM 5989 H2 TIP3 1194 15.908 -30.044 -3.559 1.00 0.00 WAT1 ATOM 5990 OH2 TIP3 1195 14.948 -24.432 -7.042 1.00 0.00 WAT1 ATOM 5991 H1 TIP3 1195 14.476 -23.967 -7.757 1.00 0.00 WAT1 ATOM 5992 H2 TIP3 1195 15.652 -24.925 -7.497 1.00 0.00 WAT1 ATOM 5993 OH2 TIP3 1196 18.861 -19.342 4.521 1.00 0.00 WAT1 ATOM 5994 H1 TIP3 1196 18.955 -18.512 5.044 1.00 0.00 WAT1 ATOM 5995 H2 TIP3 1196 17.932 -19.611 4.673 1.00 0.00 WAT1 ATOM 5996 OH2 TIP3 1197 18.305 -32.600 -6.069 1.00 0.00 WAT1 ATOM 5997 H1 TIP3 1197 17.737 -32.613 -5.266 1.00 0.00 WAT1 ATOM 5998 H2 TIP3 1197 18.004 -33.370 -6.579 1.00 0.00 WAT1 ATOM 5999 OH2 TIP3 1198 17.509 -32.444 -10.106 1.00 0.00 WAT1 ATOM 6000 H1 TIP3 1198 17.250 -31.529 -9.880 1.00 0.00 WAT1 ATOM 6001 H2 TIP3 1198 18.406 -32.525 -9.771 1.00 0.00 WAT1 ATOM 6002 OH2 TIP3 1199 20.330 -32.145 -4.099 1.00 0.00 WAT1 ATOM 6003 H1 TIP3 1199 19.978 -32.912 -3.608 1.00 0.00 WAT1 ATOM 6004 H2 TIP3 1199 19.896 -32.205 -4.970 1.00 0.00 WAT1 ATOM 6005 OH2 TIP3 1200 17.821 -27.237 21.769 1.00 0.00 WAT1 ATOM 6006 H1 TIP3 1200 16.938 -26.951 22.028 1.00 0.00 WAT1 ATOM 6007 H2 TIP3 1200 18.291 -26.397 21.545 1.00 0.00 WAT1 ATOM 6008 OH2 TIP3 1201 25.523 -30.013 11.876 1.00 0.00 WAT1 ATOM 6009 H1 TIP3 1201 25.680 -30.814 12.415 1.00 0.00 WAT1 ATOM 6010 H2 TIP3 1201 24.938 -29.458 12.445 1.00 0.00 WAT1 ATOM 6011 OH2 TIP3 1202 18.356 -26.666 15.028 1.00 0.00 WAT1 ATOM 6012 H1 TIP3 1202 18.642 -25.864 14.547 1.00 0.00 WAT1 ATOM 6013 H2 TIP3 1202 18.860 -27.389 14.599 1.00 0.00 WAT1 ATOM 6014 OH2 TIP3 1203 22.185 -25.705 13.581 1.00 0.00 WAT1 ATOM 6015 H1 TIP3 1203 22.030 -26.341 12.850 1.00 0.00 WAT1 ATOM 6016 H2 TIP3 1203 23.131 -25.499 13.512 1.00 0.00 WAT1 ATOM 6017 OH2 TIP3 1204 20.164 -28.479 13.922 1.00 0.00 WAT1 ATOM 6018 H1 TIP3 1204 20.533 -29.119 13.280 1.00 0.00 WAT1 ATOM 6019 H2 TIP3 1204 20.787 -28.518 14.671 1.00 0.00 WAT1 ATOM 6020 OH2 TIP3 1205 19.571 -24.840 13.202 1.00 0.00 WAT1 ATOM 6021 H1 TIP3 1205 19.611 -24.258 12.431 1.00 0.00 WAT1 ATOM 6022 H2 TIP3 1205 20.510 -25.039 13.399 1.00 0.00 WAT1 ATOM 6023 OH2 TIP3 1206 20.280 -23.738 7.755 1.00 0.00 WAT1 ATOM 6024 H1 TIP3 1206 20.888 -23.478 7.033 1.00 0.00 WAT1 ATOM 6025 H2 TIP3 1206 19.542 -24.158 7.298 1.00 0.00 WAT1 ATOM 6026 OH2 TIP3 1207 25.507 -31.804 14.061 1.00 0.00 WAT1 ATOM 6027 H1 TIP3 1207 26.060 -31.412 14.747 1.00 0.00 WAT1 ATOM 6028 H2 TIP3 1207 24.611 -31.848 14.471 1.00 0.00 WAT1 ATOM 6029 OH2 TIP3 1208 21.300 -25.050 16.145 1.00 0.00 WAT1 ATOM 6030 H1 TIP3 1208 21.843 -24.258 16.185 1.00 0.00 WAT1 ATOM 6031 H2 TIP3 1208 21.535 -25.458 15.285 1.00 0.00 WAT1 ATOM 6032 OH2 TIP3 1209 23.763 -28.577 13.307 1.00 0.00 WAT1 ATOM 6033 H1 TIP3 1209 23.023 -28.377 12.689 1.00 0.00 WAT1 ATOM 6034 H2 TIP3 1209 23.312 -28.861 14.135 1.00 0.00 WAT1 ATOM 6035 OH2 TIP3 1210 22.965 -29.138 6.626 1.00 0.00 WAT1 ATOM 6036 H1 TIP3 1210 22.940 -29.309 7.577 1.00 0.00 WAT1 ATOM 6037 H2 TIP3 1210 23.429 -29.923 6.251 1.00 0.00 WAT1 ATOM 6038 OH2 TIP3 1211 24.815 -26.235 12.362 1.00 0.00 WAT1 ATOM 6039 H1 TIP3 1211 24.564 -27.035 12.867 1.00 0.00 WAT1 ATOM 6040 H2 TIP3 1211 25.352 -26.580 11.624 1.00 0.00 WAT1 ATOM 6041 OH2 TIP3 1212 33.279 -33.311 15.848 1.00 0.00 WAT1 ATOM 6042 H1 TIP3 1212 33.746 -33.636 16.618 1.00 0.00 WAT1 ATOM 6043 H2 TIP3 1212 33.944 -32.840 15.346 1.00 0.00 WAT1 ATOM 6044 OH2 TIP3 1213 19.220 -27.655 11.280 1.00 0.00 WAT1 ATOM 6045 H1 TIP3 1213 19.048 -28.619 11.117 1.00 0.00 WAT1 ATOM 6046 H2 TIP3 1213 19.430 -27.613 12.234 1.00 0.00 WAT1 ATOM 6047 OH2 TIP3 1214 23.227 -30.461 10.337 1.00 0.00 WAT1 ATOM 6048 H1 TIP3 1214 22.582 -30.323 11.067 1.00 0.00 WAT1 ATOM 6049 H2 TIP3 1214 24.093 -30.291 10.749 1.00 0.00 WAT1 ATOM 6050 OH2 TIP3 1215 22.034 -27.530 11.468 1.00 0.00 WAT1 ATOM 6051 H1 TIP3 1215 21.139 -27.698 11.130 1.00 0.00 WAT1 ATOM 6052 H2 TIP3 1215 22.573 -27.384 10.658 1.00 0.00 WAT1 ATOM 6053 OH2 TIP3 1216 19.681 -25.712 18.304 1.00 0.00 WAT1 ATOM 6054 H1 TIP3 1216 20.119 -25.360 17.492 1.00 0.00 WAT1 ATOM 6055 H2 TIP3 1216 20.097 -26.575 18.435 1.00 0.00 WAT1 ATOM 6056 OH2 TIP3 1217 19.186 -28.469 17.065 1.00 0.00 WAT1 ATOM 6057 H1 TIP3 1217 18.840 -27.750 16.494 1.00 0.00 WAT1 ATOM 6058 H2 TIP3 1217 18.630 -28.430 17.861 1.00 0.00 WAT1 ATOM 6059 OH2 TIP3 1218 20.887 -23.029 10.342 1.00 0.00 WAT1 ATOM 6060 H1 TIP3 1218 20.907 -23.064 9.364 1.00 0.00 WAT1 ATOM 6061 H2 TIP3 1218 21.702 -23.513 10.616 1.00 0.00 WAT1 ATOM 6062 OH2 TIP3 1219 23.589 -27.294 4.758 1.00 0.00 WAT1 ATOM 6063 H1 TIP3 1219 23.796 -27.829 3.958 1.00 0.00 WAT1 ATOM 6064 H2 TIP3 1219 23.326 -27.965 5.437 1.00 0.00 WAT1 ATOM 6065 OH2 TIP3 1220 19.693 -20.466 10.151 1.00 0.00 WAT1 ATOM 6066 H1 TIP3 1220 20.226 -21.247 10.394 1.00 0.00 WAT1 ATOM 6067 H2 TIP3 1220 19.108 -20.791 9.436 1.00 0.00 WAT1 ATOM 6068 OH2 TIP3 1221 21.349 -30.474 12.336 1.00 0.00 WAT1 ATOM 6069 H1 TIP3 1221 21.447 -31.286 12.874 1.00 0.00 WAT1 ATOM 6070 H2 TIP3 1221 20.434 -30.537 11.975 1.00 0.00 WAT1 ATOM 6071 OH2 TIP3 1222 18.701 -18.039 10.918 1.00 0.00 WAT1 ATOM 6072 H1 TIP3 1222 19.399 -17.645 11.446 1.00 0.00 WAT1 ATOM 6073 H2 TIP3 1222 19.066 -18.918 10.655 1.00 0.00 WAT1 ATOM 6074 OH2 TIP3 1223 21.923 -23.144 5.490 1.00 0.00 WAT1 ATOM 6075 H1 TIP3 1223 22.763 -23.127 5.964 1.00 0.00 WAT1 ATOM 6076 H2 TIP3 1223 22.163 -23.474 4.590 1.00 0.00 WAT1 ATOM 6077 OH2 TIP3 1224 23.029 -24.668 10.782 1.00 0.00 WAT1 ATOM 6078 H1 TIP3 1224 23.689 -24.883 11.464 1.00 0.00 WAT1 ATOM 6079 H2 TIP3 1224 23.139 -25.376 10.118 1.00 0.00 WAT1 ATOM 6080 OH2 TIP3 1225 23.669 -26.919 9.308 1.00 0.00 WAT1 ATOM 6081 H1 TIP3 1225 23.816 -26.504 8.427 1.00 0.00 WAT1 ATOM 6082 H2 TIP3 1225 24.544 -27.291 9.545 1.00 0.00 WAT1 ATOM 6083 OH2 TIP3 1226 21.117 -28.580 20.583 1.00 0.00 WAT1 ATOM 6084 H1 TIP3 1226 20.798 -28.601 21.513 1.00 0.00 WAT1 ATOM 6085 H2 TIP3 1226 22.101 -28.654 20.669 1.00 0.00 WAT1 ATOM 6086 OH2 TIP3 1227 16.418 -17.648 9.560 1.00 0.00 WAT1 ATOM 6087 H1 TIP3 1227 16.728 -17.202 8.753 1.00 0.00 WAT1 ATOM 6088 H2 TIP3 1227 17.236 -17.731 10.119 1.00 0.00 WAT1 ATOM 6089 OH2 TIP3 1228 16.917 -24.803 18.507 1.00 0.00 WAT1 ATOM 6090 H1 TIP3 1228 16.431 -25.469 19.033 1.00 0.00 WAT1 ATOM 6091 H2 TIP3 1228 17.837 -25.132 18.492 1.00 0.00 WAT1 ATOM 6092 OH2 TIP3 1229 18.542 -29.003 19.795 1.00 0.00 WAT1 ATOM 6093 H1 TIP3 1229 19.491 -28.802 19.955 1.00 0.00 WAT1 ATOM 6094 H2 TIP3 1229 18.067 -28.436 20.443 1.00 0.00 WAT1 ATOM 6095 OH2 TIP3 1230 18.400 -30.954 15.667 1.00 0.00 WAT1 ATOM 6096 H1 TIP3 1230 18.561 -31.142 14.715 1.00 0.00 WAT1 ATOM 6097 H2 TIP3 1230 18.827 -30.091 15.814 1.00 0.00 WAT1 ATOM 6098 OH2 TIP3 1231 15.647 -25.312 16.074 1.00 0.00 WAT1 ATOM 6099 H1 TIP3 1231 16.329 -25.826 15.614 1.00 0.00 WAT1 ATOM 6100 H2 TIP3 1231 16.099 -24.982 16.877 1.00 0.00 WAT1 ATOM 6101 OH2 TIP3 1232 25.187 -34.596 14.470 1.00 0.00 WAT1 ATOM 6102 H1 TIP3 1232 25.242 -33.659 14.205 1.00 0.00 WAT1 ATOM 6103 H2 TIP3 1232 26.100 -34.897 14.465 1.00 0.00 WAT1 ATOM 6104 OH2 TIP3 1233 26.117 -27.784 10.358 1.00 0.00 WAT1 ATOM 6105 H1 TIP3 1233 25.981 -28.644 10.813 1.00 0.00 WAT1 ATOM 6106 H2 TIP3 1233 27.059 -27.771 10.153 1.00 0.00 WAT1 ATOM 6107 OH2 TIP3 1234 23.754 -29.130 20.763 1.00 0.00 WAT1 ATOM 6108 H1 TIP3 1234 24.641 -28.911 21.058 1.00 0.00 WAT1 ATOM 6109 H2 TIP3 1234 23.884 -29.884 20.142 1.00 0.00 WAT1 ATOM 6110 OH2 TIP3 1235 19.654 -28.585 25.700 1.00 0.00 WAT1 ATOM 6111 H1 TIP3 1235 18.912 -29.031 26.126 1.00 0.00 WAT1 ATOM 6112 H2 TIP3 1235 20.212 -28.300 26.430 1.00 0.00 WAT1 ATOM 6113 OH2 TIP3 1236 19.774 -28.813 22.982 1.00 0.00 WAT1 ATOM 6114 H1 TIP3 1236 19.040 -28.217 22.729 1.00 0.00 WAT1 ATOM 6115 H2 TIP3 1236 19.817 -28.738 23.965 1.00 0.00 WAT1 END