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: -1713.36, 111.524, 154.87, 72.8993, 680.003, -651.101, -2090.71, 6.42428, 2.72266 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 6.763448E-03,0.480614,1.24341,42.6236,5.302359E-03,0.491495 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 59, 16 REMARK =============================================================== REMARK DATE:10-Jun-2009 12:13:48 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 -4.715 -9.994 -11.109 1.00 13.54 ATOM 2 CB MET 1 -6.613 -10.860 -11.625 1.00 11.33 ATOM 3 HB1 MET 1 -6.878 -10.067 -12.310 1.00 37.92 ATOM 4 HB2 MET 1 -7.020 -10.627 -10.651 1.00 62.45 ATOM 5 CG MET 1 -7.264 -12.149 -12.115 1.00 3.31 ATOM 6 HG1 MET 1 -6.981 -12.955 -11.451 1.00 37.92 ATOM 7 HG2 MET 1 -6.903 -12.365 -13.110 1.00 61.12 ATOM 8 SD MET 1 -9.069 -12.049 -12.165 1.00 5.21 ATOM 9 CE MET 1 -9.309 -10.778 -13.408 1.00 45.22 ATOM 10 HE1 MET 1 -10.367 -10.607 -13.547 1.00 51.32 ATOM 11 HE2 MET 1 -8.869 -11.099 -14.340 1.00 14.14 ATOM 12 HE3 MET 1 -8.837 -9.863 -13.083 1.00 41.44 ATOM 13 C MET 1 -4.675 -12.063 -10.559 1.00 60.41 ATOM 14 O MET 1 -4.066 -13.047 -10.976 1.00 31.22 ATOM 15 N MET 1 -4.467 -11.113 -12.860 1.00 44.43 ATOM 16 HT1 MET 1 -3.429 -11.057 -12.796 1.00 37.92 ATOM 17 HT2 MET 1 -4.801 -10.373 -13.514 1.00 37.92 ATOM 18 HT3 MET 1 -4.724 -12.042 -13.249 1.00 37.92 ATOM 19 CA MET 1 -5.080 -10.929 -11.513 1.00 44.11 ATOM 20 N GLY 2 -5.021 -11.922 -9.280 1.00 24.53 ATOM 21 HN GLY 2 -5.503 -11.114 -9.000 1.00 37.92 ATOM 22 CA GLY 2 -4.701 -12.953 -8.292 1.00 51.54 ATOM 23 HA1 GLY 2 -4.050 -13.690 -8.744 1.00 37.92 ATOM 24 HA2 GLY 2 -5.618 -13.441 -7.992 1.00 74.11 ATOM 25 C GLY 2 -4.018 -12.392 -7.050 1.00 54.22 ATOM 26 O GLY 2 -4.615 -12.357 -5.973 1.00 62.01 ATOM 27 N HIS 3 -2.762 -11.956 -7.206 1.00 25.22 ATOM 28 HN HIS 3 -2.355 -12.023 -8.098 1.00 37.92 ATOM 29 CA HIS 3 -1.954 -11.385 -6.107 1.00 31.05 ATOM 30 HA HIS 3 -1.077 -10.944 -6.561 1.00 24.41 ATOM 31 CB HIS 3 -2.721 -10.276 -5.365 1.00 53.14 ATOM 32 HB1 HIS 3 -2.151 -9.973 -4.498 1.00 37.92 ATOM 33 HB2 HIS 3 -3.676 -10.663 -5.039 1.00 51.03 ATOM 34 CG HIS 3 -2.985 -9.049 -6.194 1.00 50.34 ATOM 35 ND1 HIS 3 -2.744 -7.771 -5.740 1.00 10.43 ATOM 36 HD1 HIS 3 -2.371 -7.533 -4.863 1.00 40.43 ATOM 37 CD2 HIS 3 -3.488 -8.907 -7.445 1.00 41.33 ATOM 38 HD2 HIS 3 -3.786 -9.704 -8.113 1.00 14.03 ATOM 39 CE1 HIS 3 -3.088 -6.901 -6.666 1.00 24.41 ATOM 40 HE1 HIS 3 -3.008 -5.827 -6.584 1.00 64.41 ATOM 41 NE2 HIS 3 -3.541 -7.561 -7.710 1.00 2.21 ATOM 42 HE2 HIS 3 -3.723 -7.161 -8.588 1.00 37.92 ATOM 43 C HIS 3 -1.477 -12.459 -5.111 1.00 64.13 ATOM 44 O HIS 3 -0.293 -12.527 -4.782 1.00 72.22 ATOM 45 N HIS 4 -2.400 -13.297 -4.639 1.00 5.34 ATOM 46 HN HIS 4 -3.314 -13.228 -4.975 1.00 37.92 ATOM 47 CA HIS 4 -2.086 -14.320 -3.634 1.00 21.35 ATOM 48 HA HIS 4 -1.701 -13.804 -2.764 1.00 73.05 ATOM 49 CB HIS 4 -3.359 -15.068 -3.225 1.00 51.43 ATOM 50 HB1 HIS 4 -3.097 -15.880 -2.559 1.00 37.92 ATOM 51 HB2 HIS 4 -3.837 -15.469 -4.107 1.00 32.10 ATOM 52 CG HIS 4 -4.349 -14.193 -2.519 1.00 22.40 ATOM 53 ND1 HIS 4 -4.420 -14.099 -1.146 1.00 31.00 ATOM 54 HD1 HIS 4 -3.857 -14.589 -0.505 1.00 2.13 ATOM 55 CD2 HIS 4 -5.301 -13.356 -2.997 1.00 35.14 ATOM 56 HD2 HIS 4 -5.535 -13.173 -4.039 1.00 25.22 ATOM 57 CE1 HIS 4 -5.364 -13.247 -0.812 1.00 2.22 ATOM 58 HE1 HIS 4 -5.638 -12.972 0.195 1.00 61.44 ATOM 59 NE2 HIS 4 -5.912 -12.783 -1.912 1.00 24.12 ATOM 60 HE2 HIS 4 -6.603 -12.085 -1.945 1.00 37.92 ATOM 61 C HIS 4 -1.011 -15.311 -4.117 1.00 43.32 ATOM 62 O HIS 4 -1.088 -15.850 -5.223 1.00 34.13 ATOM 63 N HIS 5 -0.021 -15.537 -3.257 1.00 54.30 ATOM 64 HN HIS 5 -0.058 -15.093 -2.383 1.00 37.92 ATOM 65 CA HIS 5 1.127 -16.402 -3.549 1.00 65.21 ATOM 66 HA HIS 5 1.717 -15.918 -4.313 1.00 22.32 ATOM 67 CB HIS 5 1.980 -16.532 -2.278 1.00 53.43 ATOM 68 HB1 HIS 5 1.386 -16.996 -1.502 1.00 37.92 ATOM 69 HB2 HIS 5 2.272 -15.544 -1.951 1.00 30.33 ATOM 70 CG HIS 5 3.229 -17.339 -2.447 1.00 54.22 ATOM 71 ND1 HIS 5 3.363 -18.627 -1.977 1.00 44.13 ATOM 72 HD1 HIS 5 2.667 -19.146 -1.521 1.00 5.33 ATOM 73 CD2 HIS 5 4.419 -17.026 -3.010 1.00 12.33 ATOM 74 HD2 HIS 5 4.675 -16.092 -3.488 1.00 40.41 ATOM 75 CE1 HIS 5 4.576 -19.068 -2.237 1.00 23.53 ATOM 76 HE1 HIS 5 4.963 -20.042 -1.977 1.00 45.04 ATOM 77 NE2 HIS 5 5.240 -18.117 -2.864 1.00 53.00 ATOM 78 HE2 HIS 5 6.213 -18.110 -3.003 1.00 37.92 ATOM 79 C HIS 5 0.707 -17.799 -4.054 1.00 45.53 ATOM 80 O HIS 5 0.018 -18.547 -3.358 1.00 0.20 ATOM 81 N HIS 6 1.136 -18.145 -5.269 1.00 31.25 ATOM 82 HN HIS 6 1.651 -17.494 -5.793 1.00 37.92 ATOM 83 CA HIS 6 0.863 -19.467 -5.848 1.00 43.53 ATOM 84 HA HIS 6 0.005 -19.881 -5.334 1.00 13.21 ATOM 85 CB HIS 6 0.522 -19.326 -7.334 1.00 70.03 ATOM 86 HB1 HIS 6 0.431 -20.311 -7.771 1.00 37.92 ATOM 87 HB2 HIS 6 1.316 -18.789 -7.831 1.00 24.50 ATOM 88 CG HIS 6 -0.758 -18.592 -7.589 1.00 11.45 ATOM 89 ND1 HIS 6 -0.831 -17.444 -8.342 1.00 32.11 ATOM 90 HD1 HIS 6 -0.074 -16.991 -8.769 1.00 45.14 ATOM 91 CD2 HIS 6 -2.029 -18.863 -7.204 1.00 30.30 ATOM 92 HD2 HIS 6 -2.351 -19.697 -6.598 1.00 55.31 ATOM 93 CE1 HIS 6 -2.082 -17.038 -8.410 1.00 32.10 ATOM 94 HE1 HIS 6 -2.433 -16.161 -8.934 1.00 22.41 ATOM 95 NE2 HIS 6 -2.830 -17.881 -7.728 1.00 25.43 ATOM 96 HE2 HIS 6 -3.809 -17.917 -7.769 1.00 37.92 ATOM 97 C HIS 6 2.054 -20.428 -5.652 1.00 1.11 ATOM 98 O HIS 6 3.064 -20.059 -5.049 1.00 53.52 ATOM 99 N HIS 7 1.945 -21.660 -6.166 1.00 41.33 ATOM 100 HN HIS 7 1.176 -21.877 -6.740 1.00 37.92 ATOM 101 CA HIS 7 2.953 -22.697 -5.875 1.00 24.52 ATOM 102 HA HIS 7 3.856 -22.197 -5.553 1.00 15.24 ATOM 103 CB HIS 7 2.440 -23.571 -4.716 1.00 2.44 ATOM 104 HB1 HIS 7 1.629 -24.190 -5.075 1.00 37.92 ATOM 105 HB2 HIS 7 2.070 -22.930 -3.930 1.00 13.34 ATOM 106 CG HIS 7 3.475 -24.475 -4.110 1.00 15.44 ATOM 107 ND1 HIS 7 3.514 -25.832 -4.333 1.00 33.21 ATOM 108 HD1 HIS 7 2.894 -26.335 -4.905 1.00 12.40 ATOM 109 CD2 HIS 7 4.501 -24.210 -3.266 1.00 64.31 ATOM 110 HD2 HIS 7 4.776 -23.239 -2.874 1.00 53.53 ATOM 111 CE1 HIS 7 4.510 -26.364 -3.656 1.00 32.15 ATOM 112 HE1 HIS 7 4.778 -27.409 -3.644 1.00 3.52 ATOM 113 NE2 HIS 7 5.128 -25.403 -2.998 1.00 10.44 ATOM 114 HE2 HIS 7 5.742 -25.555 -2.246 1.00 37.92 ATOM 115 C HIS 7 3.299 -23.574 -7.105 1.00 12.34 ATOM 116 O HIS 7 3.722 -24.721 -6.955 1.00 34.33 ATOM 117 N HIS 8 3.147 -23.036 -8.318 1.00 13.24 ATOM 118 HN HIS 8 2.763 -22.138 -8.402 1.00 37.92 ATOM 119 CA HIS 8 3.543 -23.770 -9.537 1.00 44.33 ATOM 120 HA HIS 8 3.902 -24.745 -9.231 1.00 1.33 ATOM 121 CB HIS 8 2.345 -23.964 -10.473 1.00 32.02 ATOM 122 HB1 HIS 8 2.678 -24.451 -11.379 1.00 37.92 ATOM 123 HB2 HIS 8 1.933 -22.997 -10.722 1.00 33.22 ATOM 124 CG HIS 8 1.246 -24.792 -9.882 1.00 32.45 ATOM 125 ND1 HIS 8 0.130 -24.245 -9.292 1.00 12.20 ATOM 126 HD1 HIS 8 -0.054 -23.285 -9.195 1.00 52.31 ATOM 127 CD2 HIS 8 1.088 -26.136 -9.804 1.00 41.43 ATOM 128 HD2 HIS 8 1.776 -26.886 -10.169 1.00 55.22 ATOM 129 CE1 HIS 8 -0.665 -25.209 -8.876 1.00 12.12 ATOM 130 HE1 HIS 8 -1.612 -25.074 -8.376 1.00 42.31 ATOM 131 NE2 HIS 8 -0.109 -26.364 -9.173 1.00 33.22 ATOM 132 HE2 HIS 8 -0.529 -27.243 -9.048 1.00 37.92 ATOM 133 C HIS 8 4.678 -23.055 -10.291 1.00 12.55 ATOM 134 O HIS 8 4.775 -21.825 -10.284 1.00 20.01 ATOM 135 N SER 9 5.525 -23.843 -10.950 1.00 43.15 ATOM 136 HN SER 9 5.383 -24.813 -10.922 1.00 37.92 ATOM 137 CA SER 9 6.661 -23.317 -11.725 1.00 30.35 ATOM 138 HA SER 9 6.419 -22.306 -12.025 1.00 0.32 ATOM 139 CB SER 9 7.932 -23.290 -10.861 1.00 32.32 ATOM 140 HB1 SER 9 7.808 -22.570 -10.065 1.00 37.92 ATOM 141 HB2 SER 9 8.775 -23.006 -11.473 1.00 51.22 ATOM 142 OG SER 9 8.197 -24.563 -10.284 1.00 45.01 ATOM 143 HG SER 9 7.986 -24.526 -9.340 1.00 34.34 ATOM 144 C SER 9 6.905 -24.160 -12.986 1.00 53.23 ATOM 145 O SER 9 7.069 -25.380 -12.909 1.00 12.21 ATOM 146 N HIS 10 6.929 -23.509 -14.151 1.00 24.45 ATOM 147 HN HIS 10 6.822 -22.532 -14.156 1.00 37.92 ATOM 148 CA HIS 10 7.112 -24.217 -15.423 1.00 53.14 ATOM 149 HA HIS 10 6.528 -25.127 -15.374 1.00 1.10 ATOM 150 CB HIS 10 6.593 -23.367 -16.594 1.00 34.41 ATOM 151 HB1 HIS 10 7.180 -22.463 -16.664 1.00 37.92 ATOM 152 HB2 HIS 10 5.561 -23.104 -16.409 1.00 54.15 ATOM 153 CG HIS 10 6.656 -24.063 -17.921 1.00 10.43 ATOM 154 ND1 HIS 10 7.806 -24.134 -18.679 1.00 71.42 ATOM 155 HD1 HIS 10 8.680 -23.751 -18.438 1.00 10.03 ATOM 156 CD2 HIS 10 5.707 -24.728 -18.623 1.00 70.24 ATOM 157 HD2 HIS 10 4.677 -24.873 -18.331 1.00 3.31 ATOM 158 CE1 HIS 10 7.563 -24.808 -19.784 1.00 15.32 ATOM 159 HE1 HIS 10 8.279 -25.017 -20.566 1.00 4.34 ATOM 160 NE2 HIS 10 6.300 -25.181 -19.776 1.00 72.15 ATOM 161 HE2 HIS 10 5.824 -25.558 -20.548 1.00 37.92 ATOM 162 C HIS 10 8.585 -24.600 -15.649 1.00 5.13 ATOM 163 O HIS 10 9.351 -23.854 -16.262 1.00 53.25 ATOM 164 N MET 11 8.973 -25.759 -15.130 1.00 70.25 ATOM 165 HN MET 11 8.320 -26.288 -14.621 1.00 37.92 ATOM 166 CA MET 11 10.340 -26.274 -15.288 1.00 51.53 ATOM 167 HA MET 11 10.638 -26.120 -16.316 1.00 25.32 ATOM 168 CB MET 11 11.310 -25.523 -14.361 1.00 33.45 ATOM 169 HB1 MET 11 11.277 -24.469 -14.600 1.00 37.92 ATOM 170 HB2 MET 11 12.312 -25.888 -14.536 1.00 51.03 ATOM 171 CG MET 11 10.998 -25.685 -12.879 1.00 43.43 ATOM 172 HG1 MET 11 10.913 -26.739 -12.654 1.00 37.92 ATOM 173 HG2 MET 11 10.056 -25.199 -12.667 1.00 23.30 ATOM 174 SD MET 11 12.266 -24.968 -11.814 1.00 5.04 ATOM 175 CE MET 11 13.714 -25.889 -12.337 1.00 32.02 ATOM 176 HE1 MET 11 13.539 -26.946 -12.198 1.00 65.42 ATOM 177 HE2 MET 11 14.566 -25.586 -11.746 1.00 33.25 ATOM 178 HE3 MET 11 13.912 -25.691 -13.380 1.00 63.52 ATOM 179 C MET 11 10.386 -27.778 -14.974 1.00 70.42 ATOM 180 O MET 11 9.545 -28.273 -14.219 1.00 13.41 ATOM 181 N PRO 12 11.356 -28.527 -15.543 1.00 11.40 ATOM 182 CA PRO 12 11.513 -29.968 -15.256 1.00 25.23 ATOM 183 HA PRO 12 10.730 -30.548 -15.728 1.00 2.41 ATOM 184 CB PRO 12 12.865 -30.310 -15.897 1.00 2.23 ATOM 185 HB1 PRO 12 12.845 -31.322 -16.272 1.00 37.92 ATOM 186 HB2 PRO 12 13.657 -30.208 -15.165 1.00 33.43 ATOM 187 CG PRO 12 13.013 -29.321 -17.003 1.00 50.34 ATOM 188 HG1 PRO 12 12.510 -29.684 -17.889 1.00 37.92 ATOM 189 HG2 PRO 12 14.062 -29.159 -17.208 1.00 61.25 ATOM 190 CD PRO 12 12.365 -28.048 -16.513 1.00 11.43 ATOM 191 HD1 PRO 12 11.893 -27.523 -17.332 1.00 37.92 ATOM 192 HD2 PRO 12 13.093 -27.412 -16.027 1.00 43.51 ATOM 193 C PRO 12 11.529 -30.273 -13.746 1.00 51.34 ATOM 194 O PRO 12 12.512 -30.003 -13.054 1.00 61.23 ATOM 195 N ASP 13 10.422 -30.809 -13.237 1.00 20.03 ATOM 196 HN ASP 13 9.676 -31.027 -13.835 1.00 37.92 ATOM 197 CA ASP 13 10.287 -31.072 -11.805 1.00 12.51 ATOM 198 HA ASP 13 10.879 -30.336 -11.275 1.00 1.24 ATOM 199 CB ASP 13 8.820 -30.923 -11.389 1.00 41.52 ATOM 200 HB1 ASP 13 8.291 -31.839 -11.617 1.00 37.92 ATOM 201 HB2 ASP 13 8.375 -30.112 -11.948 1.00 53.11 ATOM 202 CG ASP 13 8.666 -30.631 -9.908 1.00 54.31 ATOM 203 OD1 ASP 13 8.205 -29.519 -9.566 1.00 64.20 ATOM 204 OD2 ASP 13 9.039 -31.492 -9.088 1.00 61.12 ATOM 205 C ASP 13 10.809 -32.477 -11.450 1.00 31.23 ATOM 206 O ASP 13 10.340 -33.479 -11.992 1.00 75.31 ATOM 207 N HIS 14 11.769 -32.541 -10.527 1.00 43.55 ATOM 208 HN HIS 14 12.055 -31.716 -10.085 1.00 37.92 ATOM 209 CA HIS 14 12.409 -33.808 -10.152 1.00 63.04 ATOM 210 HA HIS 14 12.530 -34.397 -11.047 1.00 71.22 ATOM 211 CB HIS 14 13.802 -33.517 -9.567 1.00 23.15 ATOM 212 HB1 HIS 14 13.689 -33.006 -8.622 1.00 37.92 ATOM 213 HB2 HIS 14 14.343 -32.878 -10.250 1.00 54.30 ATOM 214 CG HIS 14 14.638 -34.739 -9.333 1.00 30.14 ATOM 215 ND1 HIS 14 15.514 -35.243 -10.268 1.00 71.13 ATOM 216 HD1 HIS 14 15.682 -34.866 -11.160 1.00 20.45 ATOM 217 CD2 HIS 14 14.725 -35.562 -8.264 1.00 20.13 ATOM 218 HD2 HIS 14 14.165 -35.474 -7.346 1.00 13.25 ATOM 219 CE1 HIS 14 16.100 -36.319 -9.786 1.00 14.12 ATOM 220 HE1 HIS 14 16.832 -36.923 -10.301 1.00 33.43 ATOM 221 NE2 HIS 14 15.641 -36.537 -8.571 1.00 21.02 ATOM 222 HE2 HIS 14 15.733 -37.389 -8.092 1.00 37.92 ATOM 223 C HIS 14 11.552 -34.612 -9.152 1.00 23.22 ATOM 224 O HIS 14 11.891 -35.746 -8.803 1.00 44.12 ATOM 225 N GLY 15 10.438 -34.029 -8.715 1.00 60.21 ATOM 226 HN GLY 15 10.189 -33.146 -9.066 1.00 37.92 ATOM 227 CA GLY 15 9.587 -34.671 -7.721 1.00 33.32 ATOM 228 HA1 GLY 15 8.762 -34.008 -7.498 1.00 37.92 ATOM 229 HA2 GLY 15 10.162 -34.815 -6.818 1.00 2.34 ATOM 230 C GLY 15 9.022 -36.023 -8.158 1.00 41.10 ATOM 231 O GLY 15 9.071 -36.990 -7.398 1.00 31.03 ATOM 232 N ASP 16 8.489 -36.100 -9.379 1.00 32.23 ATOM 233 HN ASP 16 8.528 -35.318 -9.968 1.00 37.92 ATOM 234 CA ASP 16 7.840 -37.333 -9.850 1.00 44.42 ATOM 235 HA ASP 16 7.987 -38.086 -9.086 1.00 54.33 ATOM 236 CB ASP 16 6.326 -37.101 -10.005 1.00 34.02 ATOM 237 HB1 ASP 16 5.899 -36.902 -9.029 1.00 37.92 ATOM 238 HB2 ASP 16 5.870 -37.994 -10.410 1.00 14.35 ATOM 239 CG ASP 16 5.994 -35.935 -10.923 1.00 43.15 ATOM 240 OD1 ASP 16 5.873 -36.150 -12.148 1.00 3.52 ATOM 241 OD2 ASP 16 5.861 -34.797 -10.429 1.00 62.02 ATOM 242 C ASP 16 8.441 -37.872 -11.170 1.00 13.10 ATOM 243 O ASP 16 8.935 -38.999 -11.214 1.00 4.24 ATOM 244 N TRP 17 8.383 -37.067 -12.237 1.00 62.14 ATOM 245 HN TRP 17 8.070 -36.147 -12.114 1.00 37.92 ATOM 246 CA TRP 17 8.763 -37.508 -13.593 1.00 64.40 ATOM 247 HA TRP 17 8.602 -36.663 -14.247 1.00 13.12 ATOM 248 CB TRP 17 10.253 -37.895 -13.665 1.00 3.24 ATOM 249 HB1 TRP 17 10.412 -38.550 -14.511 1.00 37.92 ATOM 250 HB2 TRP 17 10.528 -38.416 -12.760 1.00 52.34 ATOM 251 CG TRP 17 11.168 -36.714 -13.817 1.00 34.40 ATOM 252 CD1 TRP 17 11.957 -36.149 -12.859 1.00 1.52 ATOM 253 HD1 TRP 17 12.022 -36.498 -11.839 1.00 54.12 ATOM 254 CD2 TRP 17 11.381 -35.953 -15.012 1.00 41.20 ATOM 255 NE1 TRP 17 12.643 -35.081 -13.386 1.00 33.21 ATOM 256 HE1 TRP 17 13.273 -34.509 -12.899 1.00 0.41 ATOM 257 CE2 TRP 17 12.307 -34.941 -14.704 1.00 3.31 ATOM 258 CE3 TRP 17 10.875 -36.029 -16.313 1.00 31.43 ATOM 259 HE3 TRP 17 10.160 -36.791 -16.590 1.00 44.30 ATOM 260 CZ2 TRP 17 12.741 -34.016 -15.649 1.00 63.14 ATOM 261 HZ2 TRP 17 13.453 -33.241 -15.404 1.00 33.55 ATOM 262 CZ3 TRP 17 11.306 -35.110 -17.250 1.00 64.33 ATOM 263 HZ3 TRP 17 10.925 -35.155 -18.261 1.00 25.54 ATOM 264 CH2 TRP 17 12.230 -34.114 -16.914 1.00 62.11 ATOM 265 HH2 TRP 17 12.538 -33.416 -17.679 1.00 3.32 ATOM 266 C TRP 17 7.876 -38.662 -14.102 1.00 54.34 ATOM 267 O TRP 17 8.193 -39.311 -15.103 1.00 55.14 ATOM 268 N THR 18 6.741 -38.881 -13.439 1.00 41.10 ATOM 269 HN THR 18 6.533 -38.317 -12.663 1.00 37.92 ATOM 270 CA THR 18 5.787 -39.932 -13.831 1.00 30.35 ATOM 271 HA THR 18 6.130 -40.373 -14.759 1.00 3.03 ATOM 272 CB THR 18 5.696 -41.054 -12.763 1.00 21.14 ATOM 273 HB THR 18 4.955 -41.774 -13.087 1.00 74.21 ATOM 274 OG1 THR 18 5.289 -40.509 -11.497 1.00 64.45 ATOM 275 HG1 THR 18 4.575 -39.875 -11.633 1.00 73.31 ATOM 276 CG2 THR 18 7.032 -41.777 -12.603 1.00 10.33 ATOM 277 HG21 THR 18 6.930 -42.565 -11.869 1.00 34.14 ATOM 278 HG22 THR 18 7.786 -41.077 -12.275 1.00 33.04 ATOM 279 HG23 THR 18 7.327 -42.206 -13.550 1.00 44.54 ATOM 280 C THR 18 4.385 -39.349 -14.045 1.00 44.11 ATOM 281 O THR 18 3.784 -38.803 -13.117 1.00 12.54 ATOM 282 N TYR 19 3.860 -39.459 -15.266 1.00 74.11 ATOM 283 HN TYR 19 4.377 -39.908 -15.971 1.00 37.92 ATOM 284 CA TYR 19 2.528 -38.921 -15.578 1.00 34.33 ATOM 285 HA TYR 19 2.221 -38.299 -14.748 1.00 50.43 ATOM 286 CB TYR 19 2.581 -38.054 -16.845 1.00 34.52 ATOM 287 HB1 TYR 19 2.677 -38.695 -17.711 1.00 37.92 ATOM 288 HB2 TYR 19 3.442 -37.402 -16.792 1.00 21.01 ATOM 289 CG TYR 19 1.349 -37.184 -17.035 1.00 3.12 ATOM 290 CD1 TYR 19 1.212 -35.988 -16.336 1.00 50.11 ATOM 291 HD1 TYR 19 1.997 -35.683 -15.659 1.00 15.32 ATOM 292 CD2 TYR 19 0.325 -37.555 -17.901 1.00 14.10 ATOM 293 HD2 TYR 19 0.411 -38.480 -18.453 1.00 34.12 ATOM 294 CE1 TYR 19 0.097 -35.190 -16.494 1.00 43.13 ATOM 295 HE1 TYR 19 0.011 -34.266 -15.941 1.00 42.40 ATOM 296 CE2 TYR 19 -0.794 -36.758 -18.066 1.00 43.44 ATOM 297 HE2 TYR 19 -1.579 -37.063 -18.745 1.00 34.12 ATOM 298 CZ TYR 19 -0.903 -35.578 -17.359 1.00 53.40 ATOM 299 OH TYR 19 -2.017 -34.786 -17.513 1.00 30.14 ATOM 300 HH TYR 19 -1.745 -33.886 -17.718 1.00 15.05 ATOM 301 C TYR 19 1.496 -40.052 -15.739 1.00 62.33 ATOM 302 O TYR 19 0.612 -40.229 -14.897 1.00 11.55 ATOM 303 N GLU 20 1.607 -40.815 -16.825 1.00 41.52 ATOM 304 HN GLU 20 2.276 -40.582 -17.506 1.00 37.92 ATOM 305 CA GLU 20 0.744 -41.985 -17.045 1.00 54.50 ATOM 306 HA GLU 20 -0.227 -41.770 -16.619 1.00 64.11 ATOM 307 CB GLU 20 0.581 -42.248 -18.552 1.00 13.42 ATOM 308 HB1 GLU 20 0.020 -43.163 -18.689 1.00 37.92 ATOM 309 HB2 GLU 20 1.561 -42.371 -18.992 1.00 11.11 ATOM 310 CG GLU 20 -0.139 -41.129 -19.304 1.00 43.15 ATOM 311 HG1 GLU 20 -0.124 -41.356 -20.361 1.00 37.92 ATOM 312 HG2 GLU 20 0.390 -40.202 -19.133 1.00 25.23 ATOM 313 CD GLU 20 -1.586 -40.955 -18.864 1.00 11.51 ATOM 314 OE1 GLU 20 -1.896 -39.957 -18.181 1.00 53.40 ATOM 315 OE2 GLU 20 -2.424 -41.822 -19.198 1.00 21.10 ATOM 316 C GLU 20 1.319 -43.233 -16.355 1.00 62.31 ATOM 317 O GLU 20 0.638 -44.253 -16.218 1.00 25.42 ATOM 318 N GLU 21 2.574 -43.138 -15.918 1.00 25.44 ATOM 319 HN GLU 21 3.042 -42.285 -16.016 1.00 37.92 ATOM 320 CA GLU 21 3.280 -44.265 -15.298 1.00 70.43 ATOM 321 HA GLU 21 3.001 -45.163 -15.830 1.00 41.45 ATOM 322 CB GLU 21 4.804 -44.074 -15.418 1.00 12.41 ATOM 323 HB1 GLU 21 5.293 -44.922 -14.956 1.00 37.92 ATOM 324 HB2 GLU 21 5.083 -43.181 -14.877 1.00 64.15 ATOM 325 CG GLU 21 5.330 -43.946 -16.849 1.00 72.52 ATOM 326 HG1 GLU 21 4.966 -44.785 -17.427 1.00 37.92 ATOM 327 HG2 GLU 21 6.409 -43.977 -16.820 1.00 73.33 ATOM 328 CD GLU 21 4.907 -42.656 -17.537 1.00 44.51 ATOM 329 OE1 GLU 21 4.295 -42.727 -18.623 1.00 45.21 ATOM 330 OE2 GLU 21 5.179 -41.565 -16.986 1.00 14.45 ATOM 331 C GLU 21 2.909 -44.439 -13.813 1.00 51.44 ATOM 332 O GLU 21 2.120 -43.672 -13.252 1.00 61.14 ATOM 333 N GLN 22 3.486 -45.463 -13.187 1.00 55.15 ATOM 334 HN GLN 22 4.039 -46.084 -13.707 1.00 37.92 ATOM 335 CA GLN 22 3.327 -45.691 -11.746 1.00 15.35 ATOM 336 HA GLN 22 2.352 -45.329 -11.450 1.00 0.01 ATOM 337 CB GLN 22 3.431 -47.203 -11.441 1.00 1.34 ATOM 338 HB1 GLN 22 4.458 -47.438 -11.196 1.00 37.92 ATOM 339 HB2 GLN 22 3.160 -47.752 -12.332 1.00 65.34 ATOM 340 CG GLN 22 2.543 -47.703 -10.296 1.00 32.33 ATOM 341 HG1 GLN 22 2.678 -48.773 -10.199 1.00 37.92 ATOM 342 HG2 GLN 22 1.512 -47.502 -10.547 1.00 54.23 ATOM 343 CD GLN 22 2.840 -47.056 -8.953 1.00 53.43 ATOM 344 OE1 GLN 22 2.239 -46.049 -8.584 1.00 52.11 ATOM 345 NE2 GLN 22 3.777 -47.618 -8.217 1.00 22.23 ATOM 346 HE21 GLN 22 4.230 -48.414 -8.569 1.00 72.22 ATOM 347 HE22 GLN 22 3.979 -47.220 -7.348 1.00 13.42 ATOM 348 C GLN 22 4.413 -44.904 -10.986 1.00 73.11 ATOM 349 O GLN 22 5.527 -44.738 -11.488 1.00 23.34 ATOM 350 N PHE 23 4.095 -44.414 -9.790 1.00 13.43 ATOM 351 HN PHE 23 3.204 -44.592 -9.420 1.00 37.92 ATOM 352 CA PHE 23 5.050 -43.615 -9.014 1.00 20.42 ATOM 353 HA PHE 23 5.468 -42.871 -9.682 1.00 25.35 ATOM 354 CB PHE 23 4.336 -42.897 -7.860 1.00 23.12 ATOM 355 HB1 PHE 23 4.228 -43.579 -7.028 1.00 37.92 ATOM 356 HB2 PHE 23 3.353 -42.588 -8.191 1.00 65.11 ATOM 357 CG PHE 23 5.068 -41.672 -7.368 1.00 73.43 ATOM 358 CD1 PHE 23 4.695 -40.408 -7.802 1.00 43.42 ATOM 359 HD1 PHE 23 3.870 -40.306 -8.492 1.00 71.05 ATOM 360 CD2 PHE 23 6.131 -41.784 -6.482 1.00 14.51 ATOM 361 HD2 PHE 23 6.434 -42.762 -6.136 1.00 4.44 ATOM 362 CE1 PHE 23 5.364 -39.283 -7.363 1.00 41.12 ATOM 363 HE1 PHE 23 5.063 -38.305 -7.709 1.00 41.14 ATOM 364 CE2 PHE 23 6.802 -40.660 -6.040 1.00 44.01 ATOM 365 HE2 PHE 23 7.627 -40.760 -5.349 1.00 31.10 ATOM 366 CZ PHE 23 6.417 -39.408 -6.481 1.00 52.45 ATOM 367 HZ PHE 23 6.941 -38.528 -6.137 1.00 60.21 ATOM 368 C PHE 23 6.203 -44.494 -8.486 1.00 24.33 ATOM 369 O PHE 23 6.254 -44.851 -7.308 1.00 44.12 ATOM 370 N LYS 24 7.121 -44.841 -9.385 1.00 54.33 ATOM 371 HN LYS 24 7.037 -44.490 -10.298 1.00 37.92 ATOM 372 CA LYS 24 8.236 -45.748 -9.082 1.00 71.40 ATOM 373 HA LYS 24 7.829 -46.613 -8.580 1.00 3.20 ATOM 374 CB LYS 24 8.883 -46.204 -10.400 1.00 13.42 ATOM 375 HB1 LYS 24 9.373 -45.353 -10.856 1.00 37.92 ATOM 376 HB2 LYS 24 8.105 -46.553 -11.065 1.00 4.31 ATOM 377 CG LYS 24 9.911 -47.320 -10.244 1.00 72.12 ATOM 378 HG1 LYS 24 10.655 -47.009 -9.524 1.00 37.92 ATOM 379 HG2 LYS 24 10.387 -47.493 -11.199 1.00 12.15 ATOM 380 CD LYS 24 9.273 -48.624 -9.767 1.00 21.43 ATOM 381 HD1 LYS 24 8.515 -48.924 -10.478 1.00 37.92 ATOM 382 HD2 LYS 24 8.814 -48.459 -8.801 1.00 52.23 ATOM 383 CE LYS 24 10.298 -49.745 -9.635 1.00 13.20 ATOM 384 HE1 LYS 24 9.790 -50.647 -9.322 1.00 37.92 ATOM 385 HE2 LYS 24 11.028 -49.466 -8.888 1.00 22.23 ATOM 386 NZ LYS 24 11.003 -50.010 -10.919 1.00 15.22 ATOM 387 HZ1 LYS 24 11.657 -50.809 -10.811 1.00 64.22 ATOM 388 HZ2 LYS 24 11.546 -49.173 -11.213 1.00 23.31 ATOM 389 HZ3 LYS 24 10.316 -50.238 -11.665 1.00 41.15 ATOM 390 C LYS 24 9.297 -45.097 -8.169 1.00 54.22 ATOM 391 O LYS 24 10.080 -45.791 -7.513 1.00 45.44 ATOM 392 N GLN 25 9.304 -43.765 -8.125 1.00 51.43 ATOM 393 HN GLN 25 8.595 -43.276 -8.591 1.00 37.92 ATOM 394 CA GLN 25 10.340 -43.004 -7.410 1.00 51.43 ATOM 395 HA GLN 25 11.269 -43.154 -7.941 1.00 25.50 ATOM 396 CB GLN 25 10.009 -41.506 -7.434 1.00 5.02 ATOM 397 HB1 GLN 25 9.047 -41.355 -6.966 1.00 37.92 ATOM 398 HB2 GLN 25 9.953 -41.177 -8.463 1.00 4.44 ATOM 399 CG GLN 25 11.035 -40.636 -6.708 1.00 55.24 ATOM 400 HG1 GLN 25 11.089 -40.953 -5.676 1.00 37.92 ATOM 401 HG2 GLN 25 10.706 -39.608 -6.748 1.00 32.53 ATOM 402 CD GLN 25 12.427 -40.723 -7.318 1.00 65.31 ATOM 403 OE1 GLN 25 12.779 -39.952 -8.200 1.00 75.11 ATOM 404 NE2 GLN 25 13.230 -41.660 -6.850 1.00 43.42 ATOM 405 HE21 GLN 25 12.895 -42.248 -6.143 1.00 54.54 ATOM 406 HE22 GLN 25 14.126 -41.730 -7.238 1.00 11.00 ATOM 407 C GLN 25 10.537 -43.471 -5.955 1.00 73.33 ATOM 408 O GLN 25 11.663 -43.757 -5.543 1.00 33.10 ATOM 409 N LEU 26 9.449 -43.550 -5.182 1.00 30.54 ATOM 410 HN LEU 26 8.571 -43.359 -5.575 1.00 37.92 ATOM 411 CA LEU 26 9.536 -43.922 -3.757 1.00 0.40 ATOM 412 HA LEU 26 10.136 -43.167 -3.269 1.00 21.53 ATOM 413 CB LEU 26 8.146 -43.933 -3.104 1.00 43.05 ATOM 414 HB1 LEU 26 8.225 -44.430 -2.146 1.00 37.92 ATOM 415 HB2 LEU 26 7.482 -44.511 -3.732 1.00 53.15 ATOM 416 CG LEU 26 7.508 -42.554 -2.871 1.00 12.32 ATOM 417 HG LEU 26 7.347 -42.073 -3.827 1.00 64.41 ATOM 418 CD1 LEU 26 6.153 -42.701 -2.186 1.00 63.05 ATOM 419 HD11 LEU 26 6.279 -43.199 -1.234 1.00 23.43 ATOM 420 HD12 LEU 26 5.493 -43.284 -2.811 1.00 34.32 ATOM 421 HD13 LEU 26 5.722 -41.723 -2.025 1.00 62.15 ATOM 422 CD2 LEU 26 8.435 -41.663 -2.045 1.00 23.35 ATOM 423 HD21 LEU 26 9.363 -41.512 -2.579 1.00 14.21 ATOM 424 HD22 LEU 26 8.642 -42.136 -1.095 1.00 23.00 ATOM 425 HD23 LEU 26 7.960 -40.707 -1.873 1.00 72.52 ATOM 426 C LEU 26 10.220 -45.285 -3.545 1.00 3.24 ATOM 427 O LEU 26 10.827 -45.525 -2.499 1.00 72.54 ATOM 428 N TYR 27 10.123 -46.169 -4.532 1.00 54.40 ATOM 429 HN TYR 27 9.621 -45.932 -5.339 1.00 37.92 ATOM 430 CA TYR 27 10.754 -47.490 -4.443 1.00 43.14 ATOM 431 HA TYR 27 10.638 -47.848 -3.429 1.00 5.31 ATOM 432 CB TYR 27 10.064 -48.471 -5.400 1.00 1.43 ATOM 433 HB1 TYR 27 10.456 -49.465 -5.230 1.00 37.92 ATOM 434 HB2 TYR 27 10.277 -48.179 -6.420 1.00 4.52 ATOM 435 CG TYR 27 8.555 -48.530 -5.236 1.00 63.23 ATOM 436 CD1 TYR 27 7.976 -49.121 -4.120 1.00 35.44 ATOM 437 HD1 TYR 27 8.615 -49.539 -3.356 1.00 5.15 ATOM 438 CD2 TYR 27 7.711 -47.998 -6.205 1.00 53.25 ATOM 439 HD2 TYR 27 8.144 -47.536 -7.081 1.00 51.42 ATOM 440 CE1 TYR 27 6.602 -49.182 -3.975 1.00 53.11 ATOM 441 HE1 TYR 27 6.173 -49.648 -3.099 1.00 44.21 ATOM 442 CE2 TYR 27 6.339 -48.053 -6.066 1.00 3.31 ATOM 443 HE2 TYR 27 5.703 -47.632 -6.830 1.00 54.15 ATOM 444 CZ TYR 27 5.788 -48.645 -4.950 1.00 21.43 ATOM 445 OH TYR 27 4.419 -48.708 -4.816 1.00 62.10 ATOM 446 HH TYR 27 4.177 -48.482 -3.913 1.00 14.23 ATOM 447 C TYR 27 12.252 -47.408 -4.776 1.00 51.02 ATOM 448 O TYR 27 13.098 -47.937 -4.050 1.00 54.03 ATOM 449 N GLU 28 12.573 -46.720 -5.871 1.00 44.24 ATOM 450 HN GLU 28 11.863 -46.259 -6.365 1.00 37.92 ATOM 451 CA GLU 28 13.954 -46.636 -6.365 1.00 73.40 ATOM 452 HA GLU 28 14.482 -47.512 -6.016 1.00 51.13 ATOM 453 CB GLU 28 13.967 -46.640 -7.900 1.00 41.13 ATOM 454 HB1 GLU 28 14.990 -46.559 -8.240 1.00 37.92 ATOM 455 HB2 GLU 28 13.414 -45.781 -8.255 1.00 34.51 ATOM 456 CG GLU 28 13.356 -47.889 -8.519 1.00 42.12 ATOM 457 HG1 GLU 28 12.298 -47.906 -8.294 1.00 37.92 ATOM 458 HG2 GLU 28 13.826 -48.759 -8.080 1.00 10.15 ATOM 459 CD GLU 28 13.533 -47.944 -10.029 1.00 33.11 ATOM 460 OE1 GLU 28 13.169 -46.964 -10.711 1.00 12.43 ATOM 461 OE2 GLU 28 14.019 -48.973 -10.542 1.00 0.34 ATOM 462 C GLU 28 14.694 -45.392 -5.849 1.00 72.13 ATOM 463 O GLU 28 15.651 -44.936 -6.480 1.00 1.22 ATOM 464 N LEU 29 14.271 -44.845 -4.705 1.00 0.03 ATOM 465 HN LEU 29 13.454 -45.183 -4.284 1.00 37.92 ATOM 466 CA LEU 29 14.998 -43.723 -4.086 1.00 11.32 ATOM 467 HA LEU 29 14.883 -42.859 -4.725 1.00 12.35 ATOM 468 CB LEU 29 14.420 -43.408 -2.697 1.00 61.11 ATOM 469 HB1 LEU 29 15.027 -42.635 -2.245 1.00 37.92 ATOM 470 HB2 LEU 29 14.498 -44.300 -2.089 1.00 40.13 ATOM 471 CG LEU 29 12.956 -42.940 -2.679 1.00 1.53 ATOM 472 HG LEU 29 12.349 -43.667 -3.200 1.00 11.12 ATOM 473 CD1 LEU 29 12.436 -42.844 -1.245 1.00 40.33 ATOM 474 HD11 LEU 29 13.024 -42.125 -0.692 1.00 64.11 ATOM 475 HD12 LEU 29 12.509 -43.811 -0.769 1.00 25.23 ATOM 476 HD13 LEU 29 11.402 -42.529 -1.256 1.00 2.10 ATOM 477 CD2 LEU 29 12.806 -41.599 -3.398 1.00 33.32 ATOM 478 HD21 LEU 29 13.113 -41.705 -4.429 1.00 40.34 ATOM 479 HD22 LEU 29 13.425 -40.856 -2.915 1.00 23.25 ATOM 480 HD23 LEU 29 11.773 -41.284 -3.363 1.00 21.51 ATOM 481 C LEU 29 16.491 -44.065 -3.966 1.00 54.35 ATOM 482 O LEU 29 17.353 -43.326 -4.441 1.00 14.13 ATOM 483 N ASP 30 16.782 -45.190 -3.315 1.00 44.00 ATOM 484 HN ASP 30 16.093 -45.605 -2.758 1.00 37.92 ATOM 485 CA ASP 30 18.110 -45.809 -3.372 1.00 71.33 ATOM 486 HA ASP 30 18.714 -45.226 -4.057 1.00 32.12 ATOM 487 CB ASP 30 18.768 -45.778 -1.993 1.00 42.02 ATOM 488 HB1 ASP 30 19.715 -46.298 -2.034 1.00 37.92 ATOM 489 HB2 ASP 30 18.122 -46.269 -1.278 1.00 33.40 ATOM 490 CG ASP 30 19.015 -44.356 -1.531 1.00 42.31 ATOM 491 OD1 ASP 30 19.975 -43.730 -2.025 1.00 52.31 ATOM 492 OD2 ASP 30 18.254 -43.854 -0.683 1.00 51.24 ATOM 493 C ASP 30 18.029 -47.249 -3.919 1.00 74.23 ATOM 494 O ASP 30 19.041 -47.944 -4.033 1.00 65.35 ATOM 495 N GLY 31 16.810 -47.688 -4.252 1.00 33.34 ATOM 496 HN GLY 31 16.046 -47.091 -4.143 1.00 37.92 ATOM 497 CA GLY 31 16.602 -49.035 -4.785 1.00 64.02 ATOM 498 HA1 GLY 31 17.269 -49.184 -5.624 1.00 37.92 ATOM 499 HA2 GLY 31 15.583 -49.112 -5.138 1.00 13.44 ATOM 500 C GLY 31 16.845 -50.140 -3.757 1.00 20.53 ATOM 501 O GLY 31 17.624 -51.062 -3.999 1.00 32.13 ATOM 502 N ASP 32 16.170 -50.053 -2.613 1.00 41.12 ATOM 503 HN ASP 32 15.537 -49.318 -2.492 1.00 37.92 ATOM 504 CA ASP 32 16.350 -51.027 -1.526 1.00 14.44 ATOM 505 HA ASP 32 17.275 -51.559 -1.703 1.00 31.10 ATOM 506 CB ASP 32 16.444 -50.306 -0.179 1.00 51.01 ATOM 507 HB1 ASP 32 16.742 -51.015 0.582 1.00 37.92 ATOM 508 HB2 ASP 32 15.476 -49.901 0.078 1.00 41.35 ATOM 509 CG ASP 32 17.447 -49.177 -0.203 1.00 52.13 ATOM 510 OD1 ASP 32 18.597 -49.378 0.239 1.00 33.42 ATOM 511 OD2 ASP 32 17.087 -48.084 -0.668 1.00 11.30 ATOM 512 C ASP 32 15.192 -52.037 -1.472 1.00 10.30 ATOM 513 O ASP 32 14.022 -51.653 -1.551 1.00 52.15 ATOM 514 N PRO 33 15.501 -53.340 -1.318 1.00 72.22 ATOM 515 CA PRO 33 14.474 -54.384 -1.141 1.00 74.10 ATOM 516 HA PRO 33 13.863 -54.484 -2.029 1.00 74.11 ATOM 517 CB PRO 33 15.293 -55.673 -0.932 1.00 14.41 ATOM 518 HB1 PRO 33 15.280 -56.261 -1.839 1.00 37.92 ATOM 519 HB2 PRO 33 14.868 -56.251 -0.122 1.00 74.31 ATOM 520 CG PRO 33 16.678 -55.215 -0.603 1.00 74.33 ATOM 521 HG1 PRO 33 17.399 -55.940 -0.957 1.00 37.92 ATOM 522 HG2 PRO 33 16.778 -55.079 0.466 1.00 15.50 ATOM 523 CD PRO 33 16.863 -53.904 -1.314 1.00 72.00 ATOM 524 HD1 PRO 33 17.221 -54.062 -2.321 1.00 37.92 ATOM 525 HD2 PRO 33 17.545 -53.269 -0.764 1.00 63.22 ATOM 526 C PRO 33 13.560 -54.106 0.070 1.00 74.22 ATOM 527 O PRO 33 12.346 -54.300 0.004 1.00 70.32 ATOM 528 N LYS 34 14.147 -53.623 1.167 1.00 71.34 ATOM 529 HN LYS 34 15.120 -53.482 1.166 1.00 37.92 ATOM 530 CA LYS 34 13.379 -53.308 2.380 1.00 31.15 ATOM 531 HA LYS 34 12.727 -54.147 2.582 1.00 42.22 ATOM 532 CB LYS 34 14.323 -53.118 3.580 1.00 21.43 ATOM 533 HB1 LYS 34 13.729 -52.896 4.457 1.00 37.92 ATOM 534 HB2 LYS 34 14.972 -52.276 3.380 1.00 74.33 ATOM 535 CG LYS 34 15.202 -54.331 3.892 1.00 63.12 ATOM 536 HG1 LYS 34 15.782 -54.119 4.779 1.00 37.92 ATOM 537 HG2 LYS 34 15.870 -54.501 3.060 1.00 43.45 ATOM 538 CD LYS 34 14.380 -55.597 4.129 1.00 61.33 ATOM 539 HD1 LYS 34 15.056 -56.415 4.340 1.00 37.92 ATOM 540 HD2 LYS 34 13.817 -55.821 3.235 1.00 23.20 ATOM 541 CE LYS 34 13.408 -55.448 5.297 1.00 2.52 ATOM 542 HE1 LYS 34 12.791 -54.576 5.130 1.00 37.92 ATOM 543 HE2 LYS 34 13.973 -55.319 6.209 1.00 21.40 ATOM 544 NZ LYS 34 12.532 -56.640 5.436 1.00 54.33 ATOM 545 HZ1 LYS 34 12.007 -56.800 4.552 1.00 43.03 ATOM 546 HZ2 LYS 34 11.851 -56.498 6.208 1.00 50.23 ATOM 547 HZ3 LYS 34 13.102 -57.484 5.643 1.00 64.33 ATOM 548 C LYS 34 12.511 -52.049 2.199 1.00 45.43 ATOM 549 O LYS 34 11.526 -51.854 2.915 1.00 44.12 ATOM 550 N ARG 35 12.871 -51.204 1.233 1.00 53.44 ATOM 551 HN ARG 35 13.622 -51.440 0.649 1.00 37.92 ATOM 552 CA ARG 35 12.166 -49.934 1.020 1.00 71.32 ATOM 553 HA ARG 35 12.072 -49.453 1.985 1.00 70.52 ATOM 554 CB ARG 35 12.980 -49.014 0.094 1.00 75.12 ATOM 555 HB1 ARG 35 12.994 -49.444 -0.900 1.00 37.92 ATOM 556 HB2 ARG 35 13.993 -48.961 0.465 1.00 43.43 ATOM 557 CG ARG 35 12.433 -47.589 -0.005 1.00 11.41 ATOM 558 HG1 ARG 35 12.354 -47.177 0.992 1.00 37.92 ATOM 559 HG2 ARG 35 11.451 -47.621 -0.456 1.00 72.31 ATOM 560 CD ARG 35 13.332 -46.679 -0.844 1.00 62.22 ATOM 561 HD1 ARG 35 12.941 -45.671 -0.804 1.00 37.92 ATOM 562 HD2 ARG 35 13.318 -47.025 -1.869 1.00 61.54 ATOM 563 NE ARG 35 14.719 -46.675 -0.369 1.00 34.23 ATOM 564 HE ARG 35 15.257 -47.470 -0.551 1.00 3.41 ATOM 565 CZ ARG 35 15.296 -45.683 0.267 1.00 13.15 ATOM 566 NH1 ARG 35 14.640 -44.609 0.563 1.00 1.21 ATOM 567 HH11 ARG 35 13.684 -44.523 0.309 1.00 23.54 ATOM 568 HH12 ARG 35 15.098 -43.869 1.053 1.00 21.33 ATOM 569 NH2 ARG 35 16.539 -45.781 0.602 1.00 24.23 ATOM 570 HH21 ARG 35 17.052 -46.610 0.375 1.00 62.41 ATOM 571 HH22 ARG 35 16.993 -45.029 1.076 1.00 61.44 ATOM 572 C ARG 35 10.755 -50.156 0.448 1.00 11.21 ATOM 573 O ARG 35 9.786 -49.569 0.931 1.00 42.34 ATOM 574 N LYS 36 10.635 -51.006 -0.578 1.00 2.20 ATOM 575 HN LYS 36 11.429 -51.458 -0.922 1.00 37.92 ATOM 576 CA LYS 36 9.323 -51.265 -1.190 1.00 24.32 ATOM 577 HA LYS 36 8.835 -50.303 -1.290 1.00 63.20 ATOM 578 CB LYS 36 9.432 -51.889 -2.598 1.00 62.35 ATOM 579 HB1 LYS 36 9.984 -51.208 -3.231 1.00 37.92 ATOM 580 HB2 LYS 36 8.433 -51.991 -3.000 1.00 74.21 ATOM 581 CG LYS 36 10.104 -53.261 -2.668 1.00 43.43 ATOM 582 HG1 LYS 36 9.665 -53.821 -3.482 1.00 37.92 ATOM 583 HG2 LYS 36 9.925 -53.785 -1.740 1.00 10.45 ATOM 584 CD LYS 36 11.611 -53.164 -2.892 1.00 24.12 ATOM 585 HD1 LYS 36 12.025 -54.164 -2.903 1.00 37.92 ATOM 586 HD2 LYS 36 12.052 -52.606 -2.081 1.00 74.43 ATOM 587 CE LYS 36 11.959 -52.472 -4.210 1.00 33.51 ATOM 588 HE1 LYS 36 13.036 -52.410 -4.294 1.00 37.92 ATOM 589 HE2 LYS 36 11.546 -51.473 -4.198 1.00 35.44 ATOM 590 NZ LYS 36 11.423 -53.198 -5.394 1.00 30.14 ATOM 591 HZ1 LYS 36 10.386 -53.131 -5.419 1.00 53.11 ATOM 592 HZ2 LYS 36 11.690 -54.203 -5.352 1.00 33.22 ATOM 593 HZ3 LYS 36 11.806 -52.787 -6.271 1.00 40.45 ATOM 594 C LYS 36 8.437 -52.140 -0.289 1.00 42.01 ATOM 595 O LYS 36 7.217 -52.009 -0.318 1.00 5.41 ATOM 596 N GLU 37 9.045 -53.026 0.511 1.00 42.05 ATOM 597 HN GLU 37 10.013 -53.155 0.438 1.00 37.92 ATOM 598 CA GLU 37 8.281 -53.821 1.489 1.00 11.25 ATOM 599 HA GLU 37 7.560 -54.412 0.940 1.00 10.31 ATOM 600 CB GLU 37 9.193 -54.764 2.289 1.00 13.43 ATOM 601 HB1 GLU 37 8.607 -55.230 3.071 1.00 37.92 ATOM 602 HB2 GLU 37 9.980 -54.182 2.746 1.00 51.55 ATOM 603 CG GLU 37 9.840 -55.867 1.462 1.00 0.54 ATOM 604 HG1 GLU 37 10.554 -55.422 0.783 1.00 37.92 ATOM 605 HG2 GLU 37 9.073 -56.373 0.892 1.00 71.21 ATOM 606 CD GLU 37 10.560 -56.888 2.329 1.00 1.22 ATOM 607 OE1 GLU 37 9.969 -57.948 2.631 1.00 41.21 ATOM 608 OE2 GLU 37 11.712 -56.635 2.725 1.00 2.13 ATOM 609 C GLU 37 7.528 -52.905 2.460 1.00 14.22 ATOM 610 O GLU 37 6.309 -53.002 2.607 1.00 24.45 ATOM 611 N PHE 38 8.267 -52.005 3.114 1.00 15.12 ATOM 612 HN PHE 38 9.239 -52.008 2.989 1.00 37.92 ATOM 613 CA PHE 38 7.667 -51.020 4.019 1.00 10.34 ATOM 614 HA PHE 38 7.286 -51.552 4.877 1.00 41.45 ATOM 615 CB PHE 38 8.724 -50.009 4.489 1.00 50.11 ATOM 616 HB1 PHE 38 9.235 -49.606 3.625 1.00 37.92 ATOM 617 HB2 PHE 38 9.443 -50.517 5.117 1.00 14.34 ATOM 618 CG PHE 38 8.148 -48.855 5.277 1.00 34.03 ATOM 619 CD1 PHE 38 7.884 -47.635 4.662 1.00 24.54 ATOM 620 HD1 PHE 38 8.105 -47.511 3.612 1.00 35.42 ATOM 621 CD2 PHE 38 7.857 -48.994 6.627 1.00 62.10 ATOM 622 HD2 PHE 38 8.058 -49.934 7.120 1.00 62.42 ATOM 623 CE1 PHE 38 7.343 -46.584 5.378 1.00 51.34 ATOM 624 HE1 PHE 38 7.143 -45.641 4.888 1.00 24.00 ATOM 625 CE2 PHE 38 7.319 -47.943 7.344 1.00 30.21 ATOM 626 HE2 PHE 38 7.099 -48.064 8.395 1.00 40.51 ATOM 627 CZ PHE 38 7.060 -46.739 6.720 1.00 21.14 ATOM 628 HZ PHE 38 6.637 -45.918 7.281 1.00 62.04 ATOM 629 C PHE 38 6.507 -50.279 3.342 1.00 40.12 ATOM 630 O PHE 38 5.412 -50.187 3.890 1.00 11.32 ATOM 631 N LEU 39 6.761 -49.755 2.144 1.00 1.25 ATOM 632 HN LEU 39 7.654 -49.872 1.755 1.00 37.92 ATOM 633 CA LEU 39 5.747 -49.010 1.391 1.00 35.25 ATOM 634 HA LEU 39 5.393 -48.210 2.025 1.00 14.22 ATOM 635 CB LEU 39 6.372 -48.396 0.131 1.00 53.25 ATOM 636 HB1 LEU 39 5.591 -47.903 -0.431 1.00 37.92 ATOM 637 HB2 LEU 39 6.776 -49.198 -0.473 1.00 31.14 ATOM 638 CG LEU 39 7.492 -47.374 0.392 1.00 15.02 ATOM 639 HG LEU 39 8.271 -47.849 0.973 1.00 63.13 ATOM 640 CD1 LEU 39 8.113 -46.904 -0.920 1.00 74.55 ATOM 641 HD11 LEU 39 7.361 -46.417 -1.524 1.00 52.41 ATOM 642 HD12 LEU 39 8.509 -47.755 -1.456 1.00 32.53 ATOM 643 HD13 LEU 39 8.913 -46.209 -0.712 1.00 52.13 ATOM 644 CD2 LEU 39 6.965 -46.187 1.198 1.00 20.13 ATOM 645 HD21 LEU 39 6.606 -46.532 2.158 1.00 73.12 ATOM 646 HD22 LEU 39 6.154 -45.715 0.661 1.00 32.41 ATOM 647 HD23 LEU 39 7.760 -45.471 1.349 1.00 51.13 ATOM 648 C LEU 39 4.551 -49.899 1.013 1.00 75.55 ATOM 649 O LEU 39 3.408 -49.443 1.012 1.00 13.21 ATOM 650 N ASP 40 4.817 -51.168 0.712 1.00 11.32 ATOM 651 HN ASP 40 5.744 -51.484 0.754 1.00 37.92 ATOM 652 CA ASP 40 3.762 -52.109 0.325 1.00 71.03 ATOM 653 HA ASP 40 3.190 -51.655 -0.474 1.00 22.34 ATOM 654 CB ASP 40 4.388 -53.408 -0.191 1.00 32.23 ATOM 655 HB1 ASP 40 4.926 -53.889 0.614 1.00 37.92 ATOM 656 HB2 ASP 40 5.082 -53.175 -0.987 1.00 42.11 ATOM 657 CG ASP 40 3.351 -54.378 -0.728 1.00 41.11 ATOM 658 OD1 ASP 40 2.958 -54.244 -1.907 1.00 21.43 ATOM 659 OD2 ASP 40 2.927 -55.281 0.020 1.00 73.30 ATOM 660 C ASP 40 2.818 -52.401 1.504 1.00 30.11 ATOM 661 O ASP 40 1.598 -52.259 1.384 1.00 33.53 ATOM 662 N ASP 41 3.387 -52.793 2.644 1.00 14.55 ATOM 663 HN ASP 41 4.359 -52.936 2.669 1.00 37.92 ATOM 664 CA ASP 41 2.601 -53.026 3.860 1.00 54.43 ATOM 665 HA ASP 41 1.820 -53.732 3.616 1.00 24.23 ATOM 666 CB ASP 41 3.484 -53.624 4.960 1.00 51.23 ATOM 667 HB1 ASP 41 2.943 -53.614 5.897 1.00 37.92 ATOM 668 HB2 ASP 41 4.376 -53.022 5.061 1.00 23.44 ATOM 669 CG ASP 41 3.900 -55.054 4.657 1.00 53.32 ATOM 670 OD1 ASP 41 3.209 -55.989 5.115 1.00 14.13 ATOM 671 OD2 ASP 41 4.914 -55.255 3.961 1.00 33.31 ATOM 672 C ASP 41 1.945 -51.727 4.351 1.00 61.52 ATOM 673 O ASP 41 0.808 -51.735 4.826 1.00 24.43 ATOM 674 N LEU 42 2.669 -50.614 4.230 1.00 13.45 ATOM 675 HN LEU 42 3.591 -50.685 3.903 1.00 37.92 ATOM 676 CA LEU 42 2.135 -49.291 4.576 1.00 52.23 ATOM 677 HA LEU 42 1.897 -49.293 5.630 1.00 72.11 ATOM 678 CB LEU 42 3.189 -48.208 4.303 1.00 13.55 ATOM 679 HB1 LEU 42 3.508 -48.300 3.274 1.00 37.92 ATOM 680 HB2 LEU 42 4.042 -48.400 4.941 1.00 72.42 ATOM 681 CG LEU 42 2.731 -46.759 4.534 1.00 30.24 ATOM 682 HG LEU 42 1.806 -46.596 4.000 1.00 14.42 ATOM 683 CD1 LEU 42 2.460 -46.501 6.014 1.00 72.12 ATOM 684 HD11 LEU 42 2.120 -45.484 6.145 1.00 41.23 ATOM 685 HD12 LEU 42 3.367 -46.652 6.582 1.00 63.43 ATOM 686 HD13 LEU 42 1.697 -47.182 6.366 1.00 3.32 ATOM 687 CD2 LEU 42 3.764 -45.778 3.986 1.00 5.43 ATOM 688 HD21 LEU 42 3.883 -45.937 2.924 1.00 14.45 ATOM 689 HD22 LEU 42 4.711 -45.933 4.481 1.00 74.05 ATOM 690 HD23 LEU 42 3.428 -44.765 4.160 1.00 4.35 ATOM 691 C LEU 42 0.861 -48.983 3.778 1.00 13.13 ATOM 692 O LEU 42 -0.204 -48.756 4.355 1.00 0.33 ATOM 693 N PHE 43 0.977 -49.000 2.449 1.00 63.44 ATOM 694 HN PHE 43 1.849 -49.206 2.051 1.00 37.92 ATOM 695 CA PHE 43 -0.160 -48.713 1.568 1.00 31.10 ATOM 696 HA PHE 43 -0.510 -47.717 1.802 1.00 31.41 ATOM 697 CB PHE 43 0.268 -48.750 0.090 1.00 32.23 ATOM 698 HB1 PHE 43 -0.597 -48.554 -0.530 1.00 37.92 ATOM 699 HB2 PHE 43 0.647 -49.736 -0.138 1.00 72.50 ATOM 700 CG PHE 43 1.340 -47.743 -0.281 1.00 10.34 ATOM 701 CD1 PHE 43 1.616 -46.650 0.535 1.00 12.51 ATOM 702 HD1 PHE 43 1.058 -46.517 1.452 1.00 12.05 ATOM 703 CD2 PHE 43 2.072 -47.894 -1.453 1.00 35.04 ATOM 704 HD2 PHE 43 1.871 -48.738 -2.098 1.00 32.05 ATOM 705 CE1 PHE 43 2.595 -45.737 0.189 1.00 22.23 ATOM 706 HE1 PHE 43 2.800 -44.892 0.834 1.00 45.14 ATOM 707 CE2 PHE 43 3.051 -46.982 -1.801 1.00 21.34 ATOM 708 HE2 PHE 43 3.613 -47.114 -2.715 1.00 20.34 ATOM 709 CZ PHE 43 3.314 -45.902 -0.980 1.00 22.33 ATOM 710 HZ PHE 43 4.079 -45.189 -1.250 1.00 12.13 ATOM 711 C PHE 43 -1.309 -49.700 1.807 1.00 64.54 ATOM 712 O PHE 43 -2.467 -49.302 1.890 1.00 40.22 ATOM 713 N SER 44 -0.977 -50.987 1.929 1.00 12.40 ATOM 714 HN SER 44 -0.036 -51.246 1.827 1.00 37.92 ATOM 715 CA SER 44 -1.981 -52.026 2.215 1.00 40.02 ATOM 716 HA SER 44 -2.691 -52.030 1.400 1.00 13.24 ATOM 717 CB SER 44 -1.323 -53.416 2.310 1.00 60.21 ATOM 718 HB1 SER 44 -2.077 -54.151 2.559 1.00 37.92 ATOM 719 HB2 SER 44 -0.568 -53.404 3.083 1.00 3.11 ATOM 720 OG SER 44 -0.710 -53.793 1.083 1.00 62.32 ATOM 721 HG SER 44 0.084 -53.264 0.943 1.00 22.15 ATOM 722 C SER 44 -2.729 -51.729 3.522 1.00 41.00 ATOM 723 O SER 44 -3.956 -51.829 3.587 1.00 10.14 ATOM 724 N PHE 45 -1.978 -51.348 4.554 1.00 54.33 ATOM 725 HN PHE 45 -1.009 -51.259 4.425 1.00 37.92 ATOM 726 CA PHE 45 -2.545 -51.058 5.875 1.00 11.02 ATOM 727 HA PHE 45 -3.157 -51.902 6.163 1.00 31.04 ATOM 728 CB PHE 45 -1.413 -50.899 6.904 1.00 75.15 ATOM 729 HB1 PHE 45 -0.765 -50.089 6.594 1.00 37.92 ATOM 730 HB2 PHE 45 -0.837 -51.813 6.937 1.00 71.04 ATOM 731 CG PHE 45 -1.891 -50.606 8.305 1.00 41.33 ATOM 732 CD1 PHE 45 -2.400 -51.620 9.105 1.00 11.10 ATOM 733 HD1 PHE 45 -2.455 -52.626 8.715 1.00 2.42 ATOM 734 CD2 PHE 45 -1.828 -49.319 8.823 1.00 54.14 ATOM 735 HD2 PHE 45 -1.435 -48.519 8.210 1.00 21.11 ATOM 736 CE1 PHE 45 -2.834 -51.356 10.389 1.00 10.42 ATOM 737 HE1 PHE 45 -3.228 -52.155 11.001 1.00 44.22 ATOM 738 CE2 PHE 45 -2.262 -49.051 10.106 1.00 51.14 ATOM 739 HE2 PHE 45 -2.208 -48.046 10.496 1.00 64.24 ATOM 740 CZ PHE 45 -2.765 -50.070 10.889 1.00 4.13 ATOM 741 HZ PHE 45 -3.104 -49.862 11.894 1.00 42.14 ATOM 742 C PHE 45 -3.427 -49.796 5.856 1.00 30.32 ATOM 743 O PHE 45 -4.619 -49.854 6.177 1.00 13.41 ATOM 744 N MET 46 -2.845 -48.657 5.474 1.00 55.30 ATOM 745 HN MET 46 -1.907 -48.672 5.183 1.00 37.92 ATOM 746 CA MET 46 -3.574 -47.385 5.480 1.00 53.13 ATOM 747 HA MET 46 -3.952 -47.242 6.484 1.00 53.01 ATOM 748 CB MET 46 -2.639 -46.209 5.145 1.00 10.05 ATOM 749 HB1 MET 46 -1.841 -46.174 5.879 1.00 37.92 ATOM 750 HB2 MET 46 -3.206 -45.290 5.211 1.00 24.12 ATOM 751 CG MET 46 -2.012 -46.275 3.759 1.00 1.13 ATOM 752 HG1 MET 46 -2.800 -46.273 3.018 1.00 37.92 ATOM 753 HG2 MET 46 -1.446 -47.191 3.676 1.00 42.32 ATOM 754 SD MET 46 -0.911 -44.886 3.435 1.00 24.32 ATOM 755 CE MET 46 -2.022 -43.506 3.708 1.00 11.32 ATOM 756 HE1 MET 46 -2.844 -43.561 3.010 1.00 4.34 ATOM 757 HE2 MET 46 -1.488 -42.581 3.562 1.00 32.34 ATOM 758 HE3 MET 46 -2.403 -43.545 4.717 1.00 52.12 ATOM 759 C MET 46 -4.781 -47.418 4.520 1.00 74.03 ATOM 760 O MET 46 -5.831 -46.843 4.815 1.00 61.42 ATOM 761 N GLN 47 -4.638 -48.113 3.389 1.00 55.32 ATOM 762 HN GLN 47 -3.773 -48.534 3.191 1.00 37.92 ATOM 763 CA GLN 47 -5.740 -48.264 2.427 1.00 20.31 ATOM 764 HA GLN 47 -6.002 -47.283 2.059 1.00 14.44 ATOM 765 CB GLN 47 -5.304 -49.147 1.250 1.00 33.23 ATOM 766 HB1 GLN 47 -5.051 -50.128 1.631 1.00 37.92 ATOM 767 HB2 GLN 47 -4.423 -48.714 0.798 1.00 43.34 ATOM 768 CG GLN 47 -6.368 -49.317 0.166 1.00 5.45 ATOM 769 HG1 GLN 47 -7.342 -49.327 0.640 1.00 37.92 ATOM 770 HG2 GLN 47 -6.208 -50.259 -0.337 1.00 25.32 ATOM 771 CD GLN 47 -6.351 -48.206 -0.868 1.00 11.53 ATOM 772 OE1 GLN 47 -5.312 -47.613 -1.147 1.00 40.23 ATOM 773 NE2 GLN 47 -7.494 -47.924 -1.457 1.00 44.33 ATOM 774 HE21 GLN 47 -8.287 -48.440 -1.202 1.00 44.45 ATOM 775 HE22 GLN 47 -7.501 -47.215 -2.134 1.00 52.24 ATOM 776 C GLN 47 -6.971 -48.900 3.088 1.00 13.00 ATOM 777 O GLN 47 -8.070 -48.342 3.061 1.00 42.13 ATOM 778 N LYS 48 -6.763 -50.068 3.697 1.00 1.24 ATOM 779 HN LYS 48 -5.845 -50.415 3.757 1.00 37.92 ATOM 780 CA LYS 48 -7.856 -50.853 4.279 1.00 54.34 ATOM 781 HA LYS 48 -8.597 -50.997 3.504 1.00 3.41 ATOM 782 CB LYS 48 -7.339 -52.229 4.720 1.00 71.12 ATOM 783 HB1 LYS 48 -8.152 -52.774 5.182 1.00 37.92 ATOM 784 HB2 LYS 48 -6.554 -52.087 5.449 1.00 2.41 ATOM 785 CG LYS 48 -6.784 -53.077 3.579 1.00 53.12 ATOM 786 HG1 LYS 48 -6.031 -52.506 3.052 1.00 37.92 ATOM 787 HG2 LYS 48 -7.590 -53.321 2.900 1.00 35.52 ATOM 788 CD LYS 48 -6.158 -54.374 4.089 1.00 24.12 ATOM 789 HD1 LYS 48 -6.921 -54.962 4.580 1.00 37.92 ATOM 790 HD2 LYS 48 -5.379 -54.131 4.799 1.00 54.33 ATOM 791 CE LYS 48 -5.552 -55.196 2.956 1.00 60.35 ATOM 792 HE1 LYS 48 -5.033 -56.043 3.382 1.00 37.92 ATOM 793 HE2 LYS 48 -4.847 -54.581 2.416 1.00 13.11 ATOM 794 NZ LYS 48 -6.584 -55.692 2.006 1.00 2.03 ATOM 795 HZ1 LYS 48 -6.135 -56.244 1.247 1.00 32.02 ATOM 796 HZ2 LYS 48 -7.096 -54.893 1.580 1.00 62.21 ATOM 797 HZ3 LYS 48 -7.268 -56.299 2.504 1.00 22.25 ATOM 798 C LYS 48 -8.523 -50.143 5.469 1.00 42.23 ATOM 799 O LYS 48 -9.709 -50.343 5.731 1.00 44.33 ATOM 800 N ARG 49 -7.764 -49.319 6.193 1.00 63.21 ATOM 801 HN ARG 49 -6.820 -49.197 5.951 1.00 37.92 ATOM 802 CA ARG 49 -8.313 -48.608 7.357 1.00 32.31 ATOM 803 HA ARG 49 -9.025 -49.270 7.833 1.00 0.30 ATOM 804 CB ARG 49 -7.204 -48.279 8.369 1.00 3.45 ATOM 805 HB1 ARG 49 -6.593 -49.160 8.511 1.00 37.92 ATOM 806 HB2 ARG 49 -7.664 -48.020 9.312 1.00 43.00 ATOM 807 CG ARG 49 -6.294 -47.129 7.953 1.00 54.30 ATOM 808 HG1 ARG 49 -6.902 -46.262 7.731 1.00 37.92 ATOM 809 HG2 ARG 49 -5.745 -47.418 7.068 1.00 24.21 ATOM 810 CD ARG 49 -5.300 -46.767 9.054 1.00 2.14 ATOM 811 HD1 ARG 49 -4.767 -45.871 8.765 1.00 37.92 ATOM 812 HD2 ARG 49 -4.596 -47.580 9.167 1.00 2.10 ATOM 813 NE ARG 49 -5.961 -46.536 10.341 1.00 11.25 ATOM 814 HE ARG 49 -6.032 -47.300 10.952 1.00 71.12 ATOM 815 CZ ARG 49 -6.450 -45.387 10.736 1.00 61.10 ATOM 816 NH1 ARG 49 -6.405 -44.345 9.967 1.00 2.52 ATOM 817 HH11 ARG 49 -5.996 -44.408 9.066 1.00 60.25 ATOM 818 HH12 ARG 49 -6.786 -43.476 10.287 1.00 44.20 ATOM 819 NH2 ARG 49 -6.989 -45.285 11.907 1.00 3.34 ATOM 820 HH21 ARG 49 -7.023 -46.080 12.514 1.00 61.51 ATOM 821 HH22 ARG 49 -7.386 -44.416 12.199 1.00 42.25 ATOM 822 C ARG 49 -9.054 -47.317 6.951 1.00 40.32 ATOM 823 O ARG 49 -9.506 -46.559 7.810 1.00 63.30 ATOM 824 N GLY 50 -9.161 -47.062 5.645 1.00 73.52 ATOM 825 HN GLY 50 -8.720 -47.659 5.002 1.00 37.92 ATOM 826 CA GLY 50 -9.937 -45.919 5.161 1.00 14.14 ATOM 827 HA1 GLY 50 -10.684 -45.666 5.902 1.00 37.92 ATOM 828 HA2 GLY 50 -10.445 -46.213 4.255 1.00 34.30 ATOM 829 C GLY 50 -9.106 -44.670 4.860 1.00 54.54 ATOM 830 O GLY 50 -9.613 -43.549 4.944 1.00 62.20 ATOM 831 N THR 51 -7.831 -44.849 4.511 1.00 2.12 ATOM 832 HN THR 51 -7.450 -45.752 4.535 1.00 37.92 ATOM 833 CA THR 51 -6.976 -43.719 4.102 1.00 73.12 ATOM 834 HA THR 51 -7.619 -42.987 3.630 1.00 54.44 ATOM 835 CB THR 51 -6.289 -43.027 5.315 1.00 73.24 ATOM 836 HB THR 51 -7.052 -42.514 5.882 1.00 70.11 ATOM 837 OG1 THR 51 -5.329 -42.056 4.867 1.00 33.23 ATOM 838 HG1 THR 51 -4.516 -42.149 5.381 1.00 23.33 ATOM 839 CG2 THR 51 -5.608 -44.035 6.235 1.00 12.33 ATOM 840 HG21 THR 51 -4.865 -44.588 5.678 1.00 42.15 ATOM 841 HG22 THR 51 -6.345 -44.720 6.628 1.00 5.12 ATOM 842 HG23 THR 51 -5.130 -43.513 7.051 1.00 41.45 ATOM 843 C THR 51 -5.915 -44.149 3.073 1.00 61.51 ATOM 844 O THR 51 -4.794 -44.501 3.425 1.00 21.12 ATOM 845 N PRO 52 -6.282 -44.171 1.778 1.00 64.04 ATOM 846 CA PRO 52 -5.339 -44.482 0.686 1.00 15.12 ATOM 847 HA PRO 52 -4.772 -45.377 0.899 1.00 52.35 ATOM 848 CB PRO 52 -6.273 -44.736 -0.506 1.00 64.45 ATOM 849 HB1 PRO 52 -6.530 -45.784 -0.550 1.00 37.92 ATOM 850 HB2 PRO 52 -5.786 -44.441 -1.427 1.00 4.30 ATOM 851 CG PRO 52 -7.470 -43.896 -0.223 1.00 71.14 ATOM 852 HG1 PRO 52 -8.337 -44.309 -0.720 1.00 37.92 ATOM 853 HG2 PRO 52 -7.296 -42.880 -0.554 1.00 44.34 ATOM 854 CD PRO 52 -7.650 -43.942 1.272 1.00 42.02 ATOM 855 HD1 PRO 52 -8.301 -44.759 1.550 1.00 37.92 ATOM 856 HD2 PRO 52 -8.044 -43.007 1.636 1.00 55.25 ATOM 857 C PRO 52 -4.369 -43.329 0.363 1.00 71.43 ATOM 858 O PRO 52 -4.450 -42.240 0.938 1.00 11.12 ATOM 859 N VAL 53 -3.448 -43.587 -0.568 1.00 22.14 ATOM 860 HN VAL 53 -3.402 -44.488 -0.950 1.00 37.92 ATOM 861 CA VAL 53 -2.503 -42.566 -1.039 1.00 73.55 ATOM 862 HA VAL 53 -2.481 -41.765 -0.309 1.00 25.51 ATOM 863 CB VAL 53 -1.067 -43.140 -1.176 1.00 71.33 ATOM 864 HB VAL 53 -1.080 -43.901 -1.947 1.00 54.44 ATOM 865 CG1 VAL 53 -0.080 -42.051 -1.603 1.00 54.42 ATOM 866 HG11 VAL 53 -0.070 -41.262 -0.865 1.00 64.04 ATOM 867 HG12 VAL 53 -0.380 -41.644 -2.558 1.00 41.13 ATOM 868 HG13 VAL 53 0.912 -42.473 -1.689 1.00 4.41 ATOM 869 CG2 VAL 53 -0.624 -43.796 0.130 1.00 22.23 ATOM 870 HG21 VAL 53 -0.635 -43.063 0.925 1.00 11.02 ATOM 871 HG22 VAL 53 0.376 -44.188 0.018 1.00 43.10 ATOM 872 HG23 VAL 53 -1.300 -44.602 0.377 1.00 71.33 ATOM 873 C VAL 53 -2.957 -41.993 -2.391 1.00 4.02 ATOM 874 O VAL 53 -2.668 -42.556 -3.448 1.00 33.04 ATOM 875 N ASN 54 -3.700 -40.892 -2.350 1.00 74.20 ATOM 876 HN ASN 54 -3.920 -40.504 -1.476 1.00 37.92 ATOM 877 CA ASN 54 -4.237 -40.268 -3.568 1.00 55.10 ATOM 878 HA ASN 54 -4.585 -41.062 -4.214 1.00 65.43 ATOM 879 CB ASN 54 -5.431 -39.372 -3.210 1.00 13.11 ATOM 880 HB1 ASN 54 -5.869 -38.982 -4.118 1.00 37.92 ATOM 881 HB2 ASN 54 -5.088 -38.549 -2.598 1.00 33.32 ATOM 882 CG ASN 54 -6.506 -40.128 -2.442 1.00 0.42 ATOM 883 OD1 ASN 54 -6.220 -41.074 -1.718 1.00 71.12 ATOM 884 ND2 ASN 54 -7.750 -39.726 -2.597 1.00 35.31 ATOM 885 HD21 ASN 54 -7.924 -38.970 -3.196 1.00 64.43 ATOM 886 HD22 ASN 54 -8.449 -40.202 -2.101 1.00 74.40 ATOM 887 C ASN 54 -3.159 -39.462 -4.320 1.00 32.03 ATOM 888 O ASN 54 -2.962 -39.638 -5.523 1.00 74.35 ATOM 889 N ARG 55 -2.466 -38.578 -3.603 1.00 10.35 ATOM 890 HN ARG 55 -2.695 -38.450 -2.660 1.00 37.92 ATOM 891 CA ARG 55 -1.358 -37.803 -4.181 1.00 73.15 ATOM 892 HA ARG 55 -0.965 -38.372 -5.013 1.00 1.54 ATOM 893 CB ARG 55 -1.835 -36.432 -4.705 1.00 43.40 ATOM 894 HB1 ARG 55 -2.469 -36.594 -5.567 1.00 37.92 ATOM 895 HB2 ARG 55 -0.971 -35.863 -5.016 1.00 41.35 ATOM 896 CG ARG 55 -2.615 -35.593 -3.691 1.00 64.10 ATOM 897 HG1 ARG 55 -2.535 -34.550 -3.965 1.00 37.92 ATOM 898 HG2 ARG 55 -2.187 -35.738 -2.709 1.00 24.40 ATOM 899 CD ARG 55 -4.092 -35.977 -3.647 1.00 74.33 ATOM 900 HD1 ARG 55 -4.168 -37.034 -3.436 1.00 37.92 ATOM 901 HD2 ARG 55 -4.534 -35.774 -4.611 1.00 5.20 ATOM 902 NE ARG 55 -4.826 -35.241 -2.624 1.00 33.42 ATOM 903 HE ARG 55 -4.978 -35.689 -1.767 1.00 53.13 ATOM 904 CZ ARG 55 -5.313 -34.039 -2.782 1.00 35.41 ATOM 905 NH1 ARG 55 -5.127 -33.385 -3.885 1.00 5.33 ATOM 906 HH11 ARG 55 -4.606 -33.796 -4.630 1.00 72.32 ATOM 907 HH12 ARG 55 -5.501 -32.466 -3.983 1.00 21.13 ATOM 908 NH2 ARG 55 -5.986 -33.491 -1.826 1.00 35.34 ATOM 909 HH21 ARG 55 -6.130 -33.989 -0.973 1.00 63.44 ATOM 910 HH22 ARG 55 -6.362 -32.574 -1.942 1.00 62.21 ATOM 911 C ARG 55 -0.230 -37.613 -3.156 1.00 71.43 ATOM 912 O ARG 55 -0.480 -37.450 -1.961 1.00 52.13 ATOM 913 N ILE 56 1.011 -37.632 -3.635 1.00 14.14 ATOM 914 HN ILE 56 1.143 -37.692 -4.604 1.00 37.92 ATOM 915 CA ILE 56 2.189 -37.552 -2.764 1.00 44.42 ATOM 916 HA ILE 56 1.886 -37.836 -1.765 1.00 11.14 ATOM 917 CB ILE 56 3.281 -38.546 -3.239 1.00 74.31 ATOM 918 HB ILE 56 3.630 -38.224 -4.211 1.00 60.02 ATOM 919 CG1 ILE 56 2.683 -39.959 -3.365 1.00 74.00 ATOM 920 HG11 ILE 56 1.810 -39.918 -4.003 1.00 37.92 ATOM 921 HG12 ILE 56 2.386 -40.309 -2.386 1.00 23.34 ATOM 922 CG2 ILE 56 4.476 -38.547 -2.280 1.00 64.21 ATOM 923 HG21 ILE 56 4.138 -38.784 -1.280 1.00 43.40 ATOM 924 HG22 ILE 56 4.940 -37.570 -2.278 1.00 64.43 ATOM 925 HG23 ILE 56 5.196 -39.285 -2.600 1.00 14.21 ATOM 926 CD1 ILE 56 3.634 -40.980 -3.949 1.00 31.34 ATOM 927 HD11 ILE 56 4.511 -41.058 -3.324 1.00 74.51 ATOM 928 HD12 ILE 56 3.927 -40.675 -4.944 1.00 22.11 ATOM 929 HD13 ILE 56 3.143 -41.940 -3.999 1.00 43.45 ATOM 930 C ILE 56 2.767 -36.123 -2.726 1.00 45.21 ATOM 931 O ILE 56 2.901 -35.473 -3.764 1.00 24.35 ATOM 932 N PRO 57 3.110 -35.614 -1.523 1.00 15.32 ATOM 933 CA PRO 57 3.661 -34.254 -1.360 1.00 43.40 ATOM 934 HA PRO 57 2.973 -33.510 -1.738 1.00 10.41 ATOM 935 CB PRO 57 3.802 -34.092 0.168 1.00 22.01 ATOM 936 HB1 PRO 57 3.423 -33.122 0.463 1.00 37.92 ATOM 937 HB2 PRO 57 4.844 -34.170 0.447 1.00 4.44 ATOM 938 CG PRO 57 2.992 -35.199 0.769 1.00 72.54 ATOM 939 HG1 PRO 57 1.983 -34.859 0.960 1.00 37.92 ATOM 940 HG2 PRO 57 3.453 -35.532 1.688 1.00 74.20 ATOM 941 CD PRO 57 2.986 -36.314 -0.234 1.00 13.44 ATOM 942 HD1 PRO 57 2.058 -36.866 -0.183 1.00 37.92 ATOM 943 HD2 PRO 57 3.828 -36.973 -0.073 1.00 22.24 ATOM 944 C PRO 57 5.032 -34.064 -2.042 1.00 31.11 ATOM 945 O PRO 57 5.958 -34.853 -1.833 1.00 60.53 ATOM 946 N ILE 58 5.154 -33.011 -2.854 1.00 70.40 ATOM 947 HN ILE 58 4.371 -32.451 -3.025 1.00 37.92 ATOM 948 CA ILE 58 6.427 -32.670 -3.504 1.00 35.43 ATOM 949 HA ILE 58 7.078 -33.533 -3.443 1.00 5.34 ATOM 950 CB ILE 58 6.220 -32.319 -5.003 1.00 61.43 ATOM 951 HB ILE 58 5.594 -31.439 -5.056 1.00 21.11 ATOM 952 CG1 ILE 58 5.518 -33.477 -5.741 1.00 65.04 ATOM 953 HG11 ILE 58 5.376 -33.201 -6.778 1.00 37.92 ATOM 954 HG12 ILE 58 4.552 -33.652 -5.289 1.00 65.22 ATOM 955 CG2 ILE 58 7.557 -31.985 -5.671 1.00 74.24 ATOM 956 HG21 ILE 58 8.013 -31.143 -5.170 1.00 13.01 ATOM 957 HG22 ILE 58 7.390 -31.737 -6.709 1.00 65.35 ATOM 958 HG23 ILE 58 8.217 -32.840 -5.609 1.00 24.12 ATOM 959 CD1 ILE 58 6.285 -34.786 -5.710 1.00 62.53 ATOM 960 HD11 ILE 58 6.427 -35.097 -4.686 1.00 42.42 ATOM 961 HD12 ILE 58 7.247 -34.651 -6.183 1.00 43.42 ATOM 962 HD13 ILE 58 5.728 -35.545 -6.242 1.00 15.11 ATOM 963 C ILE 58 7.103 -31.485 -2.788 1.00 64.45 ATOM 964 O ILE 58 6.649 -30.343 -2.883 1.00 44.31 ATOM 965 N MET 59 8.185 -31.769 -2.070 1.00 63.35 ATOM 966 HN MET 59 8.524 -32.689 -2.074 1.00 37.92 ATOM 967 CA MET 59 8.895 -30.758 -1.280 1.00 32.02 ATOM 968 HA MET 59 8.233 -29.912 -1.146 1.00 14.13 ATOM 969 CB MET 59 9.245 -31.337 0.099 1.00 45.15 ATOM 970 HB1 MET 59 9.901 -32.186 -0.036 1.00 37.92 ATOM 971 HB2 MET 59 8.336 -31.672 0.580 1.00 13.25 ATOM 972 CG MET 59 9.936 -30.342 1.021 1.00 73.04 ATOM 973 HG1 MET 59 10.840 -29.994 0.544 1.00 37.92 ATOM 974 HG2 MET 59 10.189 -30.844 1.944 1.00 5.33 ATOM 975 SD MET 59 8.898 -28.917 1.406 1.00 72.44 ATOM 976 CE MET 59 7.618 -29.682 2.399 1.00 54.44 ATOM 977 HE1 MET 59 6.895 -28.935 2.691 1.00 55.22 ATOM 978 HE2 MET 59 8.062 -30.119 3.282 1.00 71.10 ATOM 979 HE3 MET 59 7.127 -30.454 1.824 1.00 13.32 ATOM 980 C MET 59 10.179 -30.279 -1.987 1.00 51.30 ATOM 981 O MET 59 11.139 -31.036 -2.124 1.00 53.23 ATOM 982 N ALA 60 10.179 -29.019 -2.436 1.00 11.04 ATOM 983 HN ALA 60 9.358 -28.494 -2.351 1.00 37.92 ATOM 984 CA ALA 60 11.361 -28.389 -3.053 1.00 11.23 ATOM 985 HA ALA 60 11.047 -27.430 -3.442 1.00 71.14 ATOM 986 CB ALA 60 12.432 -28.129 -1.993 1.00 71.42 ATOM 987 HB1 ALA 60 12.007 -27.547 -1.187 1.00 14.22 ATOM 988 HB2 ALA 60 13.254 -27.584 -2.434 1.00 54.12 ATOM 989 HB3 ALA 60 12.793 -29.071 -1.604 1.00 12.41 ATOM 990 C ALA 60 11.938 -29.218 -4.218 1.00 74.43 ATOM 991 O ALA 60 13.122 -29.564 -4.222 1.00 23.22 ATOM 992 N LYS 61 11.090 -29.530 -5.201 1.00 34.44 ATOM 993 HN LYS 61 10.158 -29.236 -5.128 1.00 37.92 ATOM 994 CA LYS 61 11.499 -30.299 -6.396 1.00 44.23 ATOM 995 HA LYS 61 10.634 -30.361 -7.040 1.00 52.03 ATOM 996 CB LYS 61 12.619 -29.562 -7.157 1.00 54.14 ATOM 997 HB1 LYS 61 12.941 -30.175 -7.987 1.00 37.92 ATOM 998 HB2 LYS 61 13.456 -29.413 -6.488 1.00 43.25 ATOM 999 CG LYS 61 12.192 -28.199 -7.704 1.00 71.55 ATOM 1000 HG1 LYS 61 13.029 -27.750 -8.221 1.00 37.92 ATOM 1001 HG2 LYS 61 11.898 -27.567 -6.878 1.00 42.41 ATOM 1002 CD LYS 61 11.018 -28.328 -8.673 1.00 61.53 ATOM 1003 HD1 LYS 61 10.228 -28.889 -8.191 1.00 37.92 ATOM 1004 HD2 LYS 61 11.348 -28.862 -9.552 1.00 22.33 ATOM 1005 CE LYS 61 10.465 -26.973 -9.104 1.00 74.11 ATOM 1006 HE1 LYS 61 11.231 -26.439 -9.649 1.00 37.92 ATOM 1007 HE2 LYS 61 10.191 -26.410 -8.224 1.00 62.24 ATOM 1008 NZ LYS 61 9.267 -27.122 -9.975 1.00 21.35 ATOM 1009 HZ1 LYS 61 8.556 -27.727 -9.505 1.00 3.03 ATOM 1010 HZ2 LYS 61 9.530 -27.565 -10.875 1.00 13.44 ATOM 1011 HZ3 LYS 61 8.842 -26.193 -10.168 1.00 41.44 ATOM 1012 C LYS 61 11.933 -31.738 -6.050 1.00 31.02 ATOM 1013 O LYS 61 12.534 -32.433 -6.871 1.00 45.41 ATOM 1014 N GLN 62 11.616 -32.174 -4.835 1.00 32.43 ATOM 1015 HN GLN 62 11.207 -31.548 -4.202 1.00 37.92 ATOM 1016 CA GLN 62 11.854 -33.554 -4.398 1.00 10.14 ATOM 1017 HA GLN 62 12.181 -34.129 -5.255 1.00 63.41 ATOM 1018 CB GLN 62 12.954 -33.594 -3.314 1.00 55.34 ATOM 1019 HB1 GLN 62 12.798 -32.770 -2.631 1.00 37.92 ATOM 1020 HB2 GLN 62 13.917 -33.473 -3.789 1.00 34.41 ATOM 1021 CG GLN 62 12.986 -34.890 -2.494 1.00 54.41 ATOM 1022 HG1 GLN 62 11.995 -35.074 -2.103 1.00 37.92 ATOM 1023 HG2 GLN 62 13.670 -34.755 -1.669 1.00 61.23 ATOM 1024 CD GLN 62 13.429 -36.118 -3.283 1.00 52.24 ATOM 1025 OE1 GLN 62 13.323 -36.173 -4.509 1.00 41.03 ATOM 1026 NE2 GLN 62 13.858 -37.143 -2.577 1.00 63.41 ATOM 1027 HE21 GLN 62 13.860 -37.063 -1.595 1.00 63.33 ATOM 1028 HE22 GLN 62 14.145 -37.944 -3.054 1.00 14.15 ATOM 1029 C GLN 62 10.559 -34.173 -3.852 1.00 41.23 ATOM 1030 O GLN 62 9.737 -33.484 -3.254 1.00 54.20 ATOM 1031 N VAL 63 10.373 -35.468 -4.072 1.00 3.12 ATOM 1032 HN VAL 63 11.010 -35.954 -4.635 1.00 37.92 ATOM 1033 CA VAL 63 9.244 -36.187 -3.483 1.00 12.14 ATOM 1034 HA VAL 63 8.350 -35.598 -3.639 1.00 64.20 ATOM 1035 CB VAL 63 9.043 -37.569 -4.154 1.00 1.11 ATOM 1036 HB VAL 63 8.865 -37.409 -5.208 1.00 51.23 ATOM 1037 CG1 VAL 63 10.296 -38.434 -4.014 1.00 50.20 ATOM 1038 HG11 VAL 63 10.134 -39.386 -4.499 1.00 73.52 ATOM 1039 HG12 VAL 63 10.508 -38.599 -2.967 1.00 61.14 ATOM 1040 HG13 VAL 63 11.135 -37.933 -4.476 1.00 21.44 ATOM 1041 CG2 VAL 63 7.824 -38.279 -3.571 1.00 5.44 ATOM 1042 HG21 VAL 63 7.690 -39.230 -4.065 1.00 62.32 ATOM 1043 HG22 VAL 63 6.946 -37.668 -3.723 1.00 4.30 ATOM 1044 HG23 VAL 63 7.970 -38.441 -2.512 1.00 33.43 ATOM 1045 C VAL 63 9.456 -36.386 -1.974 1.00 64.14 ATOM 1046 O VAL 63 10.580 -36.590 -1.521 1.00 30.03 ATOM 1047 N LEU 64 8.385 -36.321 -1.193 1.00 54.12 ATOM 1048 HN LEU 64 7.513 -36.099 -1.582 1.00 37.92 ATOM 1049 CA LEU 64 8.494 -36.571 0.241 1.00 12.45 ATOM 1050 HA LEU 64 9.317 -35.974 0.618 1.00 0.04 ATOM 1051 CB LEU 64 7.206 -36.151 0.965 1.00 51.01 ATOM 1052 HB1 LEU 64 6.389 -36.737 0.569 1.00 37.92 ATOM 1053 HB2 LEU 64 7.017 -35.109 0.740 1.00 4.24 ATOM 1054 CG LEU 64 7.224 -36.320 2.496 1.00 61.31 ATOM 1055 HG LEU 64 7.367 -37.367 2.732 1.00 41.20 ATOM 1056 CD1 LEU 64 8.385 -35.542 3.115 1.00 24.40 ATOM 1057 HD11 LEU 64 8.285 -34.492 2.878 1.00 34.12 ATOM 1058 HD12 LEU 64 9.318 -35.913 2.718 1.00 53.40 ATOM 1059 HD13 LEU 64 8.377 -35.671 4.189 1.00 43.31 ATOM 1060 CD2 LEU 64 5.891 -35.881 3.102 1.00 64.04 ATOM 1061 HD21 LEU 64 5.920 -36.008 4.174 1.00 3.12 ATOM 1062 HD22 LEU 64 5.093 -36.484 2.692 1.00 62.50 ATOM 1063 HD23 LEU 64 5.711 -34.840 2.867 1.00 75.11 ATOM 1064 C LEU 64 8.803 -38.054 0.500 1.00 50.44 ATOM 1065 O LEU 64 7.905 -38.901 0.481 1.00 42.45 ATOM 1066 N ASP 65 10.089 -38.363 0.688 1.00 65.32 ATOM 1067 HN ASP 65 10.766 -37.651 0.606 1.00 37.92 ATOM 1068 CA ASP 65 10.536 -39.731 0.966 1.00 35.03 ATOM 1069 HA ASP 65 10.316 -40.335 0.097 1.00 44.32 ATOM 1070 CB ASP 65 12.053 -39.752 1.216 1.00 33.31 ATOM 1071 HB1 ASP 65 12.379 -40.780 1.308 1.00 37.92 ATOM 1072 HB2 ASP 65 12.263 -39.234 2.140 1.00 30.21 ATOM 1073 CG ASP 65 12.858 -39.089 0.106 1.00 21.24 ATOM 1074 OD1 ASP 65 12.907 -37.844 0.070 1.00 54.41 ATOM 1075 OD2 ASP 65 13.465 -39.812 -0.713 1.00 74.31 ATOM 1076 C ASP 65 9.805 -40.329 2.188 1.00 61.11 ATOM 1077 O ASP 65 10.314 -40.282 3.304 1.00 42.44 ATOM 1078 N LEU 66 8.609 -40.882 1.969 1.00 24.54 ATOM 1079 HN LEU 66 8.248 -40.874 1.056 1.00 37.92 ATOM 1080 CA LEU 66 7.797 -41.460 3.057 1.00 55.33 ATOM 1081 HA LEU 66 7.514 -40.649 3.714 1.00 32.12 ATOM 1082 CB LEU 66 6.518 -42.098 2.491 1.00 62.13 ATOM 1083 HB1 LEU 66 5.977 -42.554 3.309 1.00 37.92 ATOM 1084 HB2 LEU 66 6.809 -42.877 1.798 1.00 51.32 ATOM 1085 CG LEU 66 5.563 -41.135 1.760 1.00 12.53 ATOM 1086 HG LEU 66 6.076 -40.715 0.906 1.00 63.31 ATOM 1087 CD1 LEU 66 4.337 -41.883 1.241 1.00 52.53 ATOM 1088 HD11 LEU 66 3.802 -42.323 2.071 1.00 53.24 ATOM 1089 HD12 LEU 66 4.650 -42.663 0.562 1.00 71.41 ATOM 1090 HD13 LEU 66 3.687 -41.194 0.719 1.00 55.43 ATOM 1091 CD2 LEU 66 5.145 -39.979 2.673 1.00 4.31 ATOM 1092 HD21 LEU 66 4.640 -40.370 3.545 1.00 11.22 ATOM 1093 HD22 LEU 66 4.478 -39.317 2.138 1.00 24.31 ATOM 1094 HD23 LEU 66 6.022 -39.428 2.981 1.00 22.54 ATOM 1095 C LEU 66 8.583 -42.499 3.878 1.00 0.35 ATOM 1096 O LEU 66 8.523 -42.505 5.109 1.00 54.45 ATOM 1097 N PHE 67 9.321 -43.369 3.189 1.00 21.35 ATOM 1098 HN PHE 67 9.304 -43.331 2.212 1.00 37.92 ATOM 1099 CA PHE 67 10.150 -44.383 3.853 1.00 14.14 ATOM 1100 HA PHE 67 9.492 -45.022 4.428 1.00 11.44 ATOM 1101 CB PHE 67 10.875 -45.238 2.799 1.00 12.33 ATOM 1102 HB1 PHE 67 11.447 -44.589 2.152 1.00 37.92 ATOM 1103 HB2 PHE 67 10.140 -45.764 2.206 1.00 23.33 ATOM 1104 CG PHE 67 11.817 -46.265 3.382 1.00 74.23 ATOM 1105 CD1 PHE 67 11.331 -47.443 3.928 1.00 21.42 ATOM 1106 HD1 PHE 67 10.267 -47.623 3.935 1.00 24.53 ATOM 1107 CD2 PHE 67 13.190 -46.052 3.381 1.00 4.44 ATOM 1108 HD2 PHE 67 13.585 -45.139 2.957 1.00 75.20 ATOM 1109 CE1 PHE 67 12.190 -48.384 4.463 1.00 71.41 ATOM 1110 HE1 PHE 67 11.795 -49.296 4.886 1.00 35.02 ATOM 1111 CE2 PHE 67 14.053 -46.990 3.914 1.00 71.42 ATOM 1112 HE2 PHE 67 15.119 -46.810 3.908 1.00 21.34 ATOM 1113 CZ PHE 67 13.552 -48.158 4.456 1.00 32.52 ATOM 1114 HZ PHE 67 14.226 -48.893 4.875 1.00 4.25 ATOM 1115 C PHE 67 11.174 -43.739 4.806 1.00 3.21 ATOM 1116 O PHE 67 11.292 -44.128 5.972 1.00 21.45 ATOM 1117 N MET 68 11.903 -42.743 4.304 1.00 40.10 ATOM 1118 HN MET 68 11.730 -42.442 3.390 1.00 37.92 ATOM 1119 CA MET 68 12.945 -42.074 5.092 1.00 32.25 ATOM 1120 HA MET 68 13.561 -42.841 5.543 1.00 33.12 ATOM 1121 CB MET 68 13.821 -41.198 4.183 1.00 11.41 ATOM 1122 HB1 MET 68 14.676 -40.854 4.749 1.00 37.92 ATOM 1123 HB2 MET 68 13.246 -40.338 3.865 1.00 54.55 ATOM 1124 CG MET 68 14.333 -41.916 2.936 1.00 60.22 ATOM 1125 HG1 MET 68 14.978 -41.244 2.388 1.00 37.92 ATOM 1126 HG2 MET 68 13.487 -42.179 2.318 1.00 34.31 ATOM 1127 SD MET 68 15.255 -43.421 3.309 1.00 35.43 ATOM 1128 CE MET 68 16.640 -42.764 4.242 1.00 61.02 ATOM 1129 HE1 MET 68 17.288 -43.573 4.545 1.00 61.41 ATOM 1130 HE2 MET 68 16.273 -42.250 5.118 1.00 44.12 ATOM 1131 HE3 MET 68 17.195 -42.073 3.624 1.00 42.40 ATOM 1132 C MET 68 12.320 -41.223 6.212 1.00 73.11 ATOM 1133 O MET 68 12.825 -41.186 7.332 1.00 34.51 ATOM 1134 N LEU 69 11.211 -40.554 5.894 1.00 75.22 ATOM 1135 HN LEU 69 10.879 -40.605 4.977 1.00 37.92 ATOM 1136 CA LEU 69 10.472 -39.743 6.870 1.00 24.22 ATOM 1137 HA LEU 69 11.107 -38.922 7.166 1.00 51.35 ATOM 1138 CB LEU 69 9.190 -39.183 6.225 1.00 72.25 ATOM 1139 HB1 LEU 69 8.548 -40.016 5.973 1.00 37.92 ATOM 1140 HB2 LEU 69 9.466 -38.680 5.307 1.00 51.13 ATOM 1141 CG LEU 69 8.379 -38.199 7.088 1.00 14.41 ATOM 1142 HG LEU 69 8.168 -38.659 8.043 1.00 22.32 ATOM 1143 CD1 LEU 69 9.180 -36.929 7.354 1.00 54.14 ATOM 1144 HD11 LEU 69 8.604 -36.262 7.979 1.00 61.23 ATOM 1145 HD12 LEU 69 9.407 -36.440 6.417 1.00 11.42 ATOM 1146 HD13 LEU 69 10.102 -37.184 7.858 1.00 63.32 ATOM 1147 CD2 LEU 69 7.045 -37.868 6.419 1.00 23.43 ATOM 1148 HD21 LEU 69 6.474 -37.209 7.058 1.00 62.01 ATOM 1149 HD22 LEU 69 6.488 -38.780 6.256 1.00 50.41 ATOM 1150 HD23 LEU 69 7.224 -37.383 5.470 1.00 24.23 ATOM 1151 C LEU 69 10.118 -40.575 8.113 1.00 23.10 ATOM 1152 O LEU 69 10.310 -40.137 9.247 1.00 15.11 ATOM 1153 N TYR 70 9.616 -41.788 7.883 1.00 0.13 ATOM 1154 HN TYR 70 9.451 -42.065 6.955 1.00 37.92 ATOM 1155 CA TYR 70 9.298 -42.717 8.971 1.00 25.31 ATOM 1156 HA TYR 70 8.546 -42.252 9.593 1.00 12.23 ATOM 1157 CB TYR 70 8.733 -44.022 8.394 1.00 21.21 ATOM 1158 HB1 TYR 70 9.485 -44.481 7.767 1.00 37.92 ATOM 1159 HB2 TYR 70 7.866 -43.793 7.790 1.00 75.02 ATOM 1160 CG TYR 70 8.313 -45.040 9.446 1.00 72.12 ATOM 1161 CD1 TYR 70 7.072 -44.954 10.074 1.00 2.31 ATOM 1162 HD1 TYR 70 6.405 -44.145 9.813 1.00 12.54 ATOM 1163 CD2 TYR 70 9.152 -46.095 9.801 1.00 40.33 ATOM 1164 HD2 TYR 70 10.120 -46.179 9.327 1.00 63.35 ATOM 1165 CE1 TYR 70 6.684 -45.886 11.022 1.00 52.42 ATOM 1166 HE1 TYR 70 5.717 -45.801 11.498 1.00 24.33 ATOM 1167 CE2 TYR 70 8.770 -47.026 10.749 1.00 43.20 ATOM 1168 HE2 TYR 70 9.437 -47.835 11.010 1.00 33.30 ATOM 1169 CZ TYR 70 7.536 -46.919 11.355 1.00 55.11 ATOM 1170 OH TYR 70 7.152 -47.852 12.294 1.00 2.32 ATOM 1171 HH TYR 70 7.895 -48.052 12.873 1.00 30.51 ATOM 1172 C TYR 70 10.538 -43.012 9.828 1.00 30.51 ATOM 1173 O TYR 70 10.504 -42.892 11.053 1.00 21.50 ATOM 1174 N VAL 71 11.634 -43.397 9.174 1.00 23.22 ATOM 1175 HN VAL 71 11.601 -43.478 8.193 1.00 37.92 ATOM 1176 CA VAL 71 12.887 -43.707 9.878 1.00 64.14 ATOM 1177 HA VAL 71 12.706 -44.576 10.497 1.00 63.24 ATOM 1178 CB VAL 71 14.024 -44.053 8.880 1.00 3.52 ATOM 1179 HB VAL 71 14.192 -43.190 8.249 1.00 13.22 ATOM 1180 CG1 VAL 71 15.333 -44.362 9.614 1.00 60.32 ATOM 1181 HG11 VAL 71 16.102 -44.600 8.894 1.00 41.43 ATOM 1182 HG12 VAL 71 15.189 -45.203 10.278 1.00 4.33 ATOM 1183 HG13 VAL 71 15.635 -43.499 10.190 1.00 13.34 ATOM 1184 CG2 VAL 71 13.619 -45.223 7.982 1.00 73.44 ATOM 1185 HG21 VAL 71 13.429 -46.099 8.588 1.00 53.40 ATOM 1186 HG22 VAL 71 14.416 -45.436 7.285 1.00 51.13 ATOM 1187 HG23 VAL 71 12.724 -44.965 7.434 1.00 14.25 ATOM 1188 C VAL 71 13.341 -42.543 10.781 1.00 25.13 ATOM 1189 O VAL 71 13.537 -42.718 11.986 1.00 63.31 ATOM 1190 N LEU 72 13.480 -41.355 10.192 1.00 21.15 ATOM 1191 HN LEU 72 13.256 -41.270 9.240 1.00 37.92 ATOM 1192 CA LEU 72 13.953 -40.166 10.921 1.00 41.22 ATOM 1193 HA LEU 72 14.937 -40.400 11.305 1.00 62.52 ATOM 1194 CB LEU 72 14.076 -38.961 9.968 1.00 64.14 ATOM 1195 HB1 LEU 72 13.999 -38.056 10.554 1.00 37.92 ATOM 1196 HB2 LEU 72 13.243 -38.989 9.280 1.00 51.02 ATOM 1197 CG LEU 72 15.377 -38.883 9.144 1.00 73.32 ATOM 1198 HG LEU 72 15.356 -37.983 8.544 1.00 25.34 ATOM 1199 CD1 LEU 72 16.589 -38.793 10.065 1.00 11.11 ATOM 1200 HD11 LEU 72 17.491 -38.738 9.473 1.00 75.32 ATOM 1201 HD12 LEU 72 16.628 -39.670 10.700 1.00 32.43 ATOM 1202 HD13 LEU 72 16.510 -37.909 10.681 1.00 23.30 ATOM 1203 CD2 LEU 72 15.507 -40.074 8.198 1.00 12.25 ATOM 1204 HD21 LEU 72 15.520 -40.992 8.769 1.00 61.41 ATOM 1205 HD22 LEU 72 16.424 -39.988 7.634 1.00 21.34 ATOM 1206 HD23 LEU 72 14.669 -40.086 7.517 1.00 22.23 ATOM 1207 C LEU 72 13.045 -39.804 12.116 1.00 35.23 ATOM 1208 O LEU 72 13.532 -39.546 13.216 1.00 44.12 ATOM 1209 N VAL 73 11.733 -39.784 11.901 1.00 43.25 ATOM 1210 HN VAL 73 11.388 -40.025 11.013 1.00 37.92 ATOM 1211 CA VAL 73 10.787 -39.407 12.964 1.00 64.44 ATOM 1212 HA VAL 73 11.121 -38.462 13.375 1.00 12.35 ATOM 1213 CB VAL 73 9.359 -39.200 12.400 1.00 52.43 ATOM 1214 HB VAL 73 9.048 -40.118 11.920 1.00 61.34 ATOM 1215 CG1 VAL 73 8.364 -38.890 13.519 1.00 60.51 ATOM 1216 HG11 VAL 73 8.344 -39.711 14.222 1.00 33.34 ATOM 1217 HG12 VAL 73 7.377 -38.755 13.099 1.00 3.42 ATOM 1218 HG13 VAL 73 8.663 -37.987 14.030 1.00 62.10 ATOM 1219 CG2 VAL 73 9.353 -38.088 11.348 1.00 74.54 ATOM 1220 HG21 VAL 73 10.039 -38.341 10.552 1.00 24.31 ATOM 1221 HG22 VAL 73 9.659 -37.156 11.802 1.00 44.51 ATOM 1222 HG23 VAL 73 8.358 -37.980 10.941 1.00 13.31 ATOM 1223 C VAL 73 10.753 -40.447 14.102 1.00 43.54 ATOM 1224 O VAL 73 10.849 -40.096 15.283 1.00 45.35 ATOM 1225 N THR 74 10.633 -41.726 13.745 1.00 1.31 ATOM 1226 HN THR 74 10.579 -41.951 12.790 1.00 37.92 ATOM 1227 CA THR 74 10.562 -42.807 14.745 1.00 3.24 ATOM 1228 HA THR 74 9.715 -42.598 15.385 1.00 13.24 ATOM 1229 CB THR 74 10.326 -44.192 14.092 1.00 71.14 ATOM 1230 HB THR 74 10.328 -44.945 14.870 1.00 41.14 ATOM 1231 OG1 THR 74 11.378 -44.495 13.160 1.00 63.41 ATOM 1232 HG1 THR 74 11.399 -43.819 12.468 1.00 14.32 ATOM 1233 CG2 THR 74 8.974 -44.238 13.385 1.00 43.42 ATOM 1234 HG21 THR 74 8.826 -45.218 12.953 1.00 72.12 ATOM 1235 HG22 THR 74 8.949 -43.494 12.602 1.00 3.33 ATOM 1236 HG23 THR 74 8.186 -44.036 14.097 1.00 21.31 ATOM 1237 C THR 74 11.822 -42.882 15.624 1.00 43.24 ATOM 1238 O THR 74 11.723 -43.035 16.846 1.00 74.44 ATOM 1239 N GLU 75 13.007 -42.764 15.012 1.00 1.33 ATOM 1240 HN GLU 75 13.035 -42.647 14.036 1.00 37.92 ATOM 1241 CA GLU 75 14.269 -42.815 15.770 1.00 70.12 ATOM 1242 HA GLU 75 14.276 -43.738 16.333 1.00 3.12 ATOM 1243 CB GLU 75 15.485 -42.799 14.825 1.00 33.53 ATOM 1244 HB1 GLU 75 15.334 -43.538 14.051 1.00 37.92 ATOM 1245 HB2 GLU 75 16.368 -43.063 15.389 1.00 31.23 ATOM 1246 CG GLU 75 15.734 -41.454 14.147 1.00 64.41 ATOM 1247 HG1 GLU 75 15.681 -40.676 14.897 1.00 37.92 ATOM 1248 HG2 GLU 75 14.959 -41.290 13.412 1.00 44.45 ATOM 1249 CD GLU 75 17.085 -41.360 13.450 1.00 34.42 ATOM 1250 OE1 GLU 75 17.921 -42.275 13.608 1.00 24.41 ATOM 1251 OE2 GLU 75 17.330 -40.347 12.770 1.00 22.24 ATOM 1252 C GLU 75 14.370 -41.640 16.759 1.00 74.25 ATOM 1253 O GLU 75 15.022 -41.738 17.802 1.00 51.10 ATOM 1254 N LYS 76 13.720 -40.526 16.422 1.00 1.34 ATOM 1255 HN LYS 76 13.235 -40.498 15.568 1.00 37.92 ATOM 1256 CA LYS 76 13.720 -39.338 17.282 1.00 35.15 ATOM 1257 HA LYS 76 14.714 -39.240 17.699 1.00 24.52 ATOM 1258 CB LYS 76 13.417 -38.086 16.449 1.00 64.44 ATOM 1259 HB1 LYS 76 13.300 -37.242 17.115 1.00 37.92 ATOM 1260 HB2 LYS 76 12.491 -38.239 15.912 1.00 62.41 ATOM 1261 CG LYS 76 14.509 -37.746 15.433 1.00 41.43 ATOM 1262 HG1 LYS 76 14.179 -36.908 14.834 1.00 37.92 ATOM 1263 HG2 LYS 76 14.672 -38.602 14.793 1.00 1.11 ATOM 1264 CD LYS 76 15.826 -37.381 16.114 1.00 41.05 ATOM 1265 HD1 LYS 76 16.134 -38.205 16.742 1.00 37.92 ATOM 1266 HD2 LYS 76 15.672 -36.504 16.725 1.00 2.11 ATOM 1267 CE LYS 76 16.932 -37.087 15.106 1.00 34.12 ATOM 1268 HE1 LYS 76 17.748 -36.600 15.620 1.00 37.92 ATOM 1269 HE2 LYS 76 16.542 -36.423 14.349 1.00 1.41 ATOM 1270 NZ LYS 76 17.448 -38.318 14.442 1.00 40.43 ATOM 1271 HZ1 LYS 76 16.692 -38.788 13.903 1.00 10.35 ATOM 1272 HZ2 LYS 76 17.814 -38.985 15.152 1.00 33.04 ATOM 1273 HZ3 LYS 76 18.219 -38.073 13.787 1.00 42.31 ATOM 1274 C LYS 76 12.723 -39.467 18.446 1.00 74.44 ATOM 1275 O LYS 76 12.714 -38.635 19.353 1.00 41.11 ATOM 1276 N GLY 77 11.892 -40.511 18.420 1.00 52.32 ATOM 1277 HN GLY 77 11.914 -41.121 17.654 1.00 37.92 ATOM 1278 CA GLY 77 10.961 -40.762 19.522 1.00 4.31 ATOM 1279 HA1 GLY 77 11.046 -39.959 20.243 1.00 37.92 ATOM 1280 HA2 GLY 77 11.243 -41.685 20.004 1.00 14.03 ATOM 1281 C GLY 77 9.500 -40.873 19.086 1.00 44.44 ATOM 1282 O GLY 77 8.618 -41.093 19.919 1.00 62.40 ATOM 1283 N GLY 78 9.238 -40.720 17.789 1.00 22.34 ATOM 1284 HN GLY 78 9.975 -40.546 17.167 1.00 37.92 ATOM 1285 CA GLY 78 7.867 -40.790 17.284 1.00 72.14 ATOM 1286 HA1 GLY 78 7.236 -41.248 18.033 1.00 37.92 ATOM 1287 HA2 GLY 78 7.856 -41.408 16.396 1.00 32.33 ATOM 1288 C GLY 78 7.299 -39.417 16.936 1.00 24.40 ATOM 1289 O GLY 78 7.853 -38.392 17.338 1.00 72.51 ATOM 1290 N LEU 79 6.184 -39.396 16.199 1.00 51.31 ATOM 1291 HN LEU 79 5.763 -40.255 15.954 1.00 37.92 ATOM 1292 CA LEU 79 5.577 -38.139 15.723 1.00 70.01 ATOM 1293 HA LEU 79 6.207 -37.757 14.933 1.00 20.44 ATOM 1294 CB LEU 79 4.180 -38.407 15.141 1.00 31.34 ATOM 1295 HB1 LEU 79 3.582 -38.889 15.903 1.00 37.92 ATOM 1296 HB2 LEU 79 4.288 -39.090 14.310 1.00 51.22 ATOM 1297 CG LEU 79 3.417 -37.160 14.649 1.00 43.53 ATOM 1298 HG LEU 79 3.281 -36.482 15.482 1.00 10.32 ATOM 1299 CD1 LEU 79 4.212 -36.419 13.573 1.00 52.43 ATOM 1300 HD11 LEU 79 3.653 -35.556 13.241 1.00 2.23 ATOM 1301 HD12 LEU 79 4.388 -37.076 12.734 1.00 2.43 ATOM 1302 HD13 LEU 79 5.160 -36.096 13.981 1.00 23.51 ATOM 1303 CD2 LEU 79 2.033 -37.545 14.128 1.00 51.04 ATOM 1304 HD21 LEU 79 2.136 -38.226 13.295 1.00 0.13 ATOM 1305 HD22 LEU 79 1.510 -36.657 13.803 1.00 53.44 ATOM 1306 HD23 LEU 79 1.470 -38.024 14.916 1.00 51.54 ATOM 1307 C LEU 79 5.479 -37.067 16.824 1.00 64.00 ATOM 1308 O LEU 79 6.063 -35.987 16.703 1.00 31.33 ATOM 1309 N VAL 80 4.743 -37.367 17.891 1.00 52.02 ATOM 1310 HN VAL 80 4.352 -38.263 17.962 1.00 37.92 ATOM 1311 CA VAL 80 4.502 -36.390 18.960 1.00 1.43 ATOM 1312 HA VAL 80 3.988 -35.546 18.518 1.00 2.15 ATOM 1313 CB VAL 80 3.594 -36.974 20.062 1.00 53.31 ATOM 1314 HB VAL 80 4.122 -37.792 20.539 1.00 31.55 ATOM 1315 CG1 VAL 80 3.289 -35.921 21.125 1.00 11.33 ATOM 1316 HG11 VAL 80 2.797 -35.075 20.666 1.00 32.24 ATOM 1317 HG12 VAL 80 4.211 -35.594 21.584 1.00 30.34 ATOM 1318 HG13 VAL 80 2.644 -36.346 21.879 1.00 11.11 ATOM 1319 CG2 VAL 80 2.307 -37.528 19.456 1.00 4.22 ATOM 1320 HG21 VAL 80 2.547 -38.300 18.738 1.00 55.12 ATOM 1321 HG22 VAL 80 1.768 -36.734 18.961 1.00 14.22 ATOM 1322 HG23 VAL 80 1.688 -37.947 20.239 1.00 12.42 ATOM 1323 C VAL 80 5.805 -35.883 19.593 1.00 23.42 ATOM 1324 O VAL 80 5.995 -34.676 19.743 1.00 45.41 ATOM 1325 N GLU 81 6.700 -36.800 19.962 1.00 50.14 ATOM 1326 HN GLU 81 6.484 -37.748 19.853 1.00 37.92 ATOM 1327 CA GLU 81 7.997 -36.420 20.536 1.00 44.33 ATOM 1328 HA GLU 81 7.806 -35.958 21.496 1.00 51.40 ATOM 1329 CB GLU 81 8.882 -37.657 20.748 1.00 23.23 ATOM 1330 HB1 GLU 81 8.956 -38.196 19.812 1.00 37.92 ATOM 1331 HB2 GLU 81 8.411 -38.298 21.479 1.00 60.13 ATOM 1332 CG GLU 81 10.302 -37.342 21.232 1.00 72.42 ATOM 1333 HG1 GLU 81 10.739 -36.612 20.564 1.00 37.92 ATOM 1334 HG2 GLU 81 10.887 -38.250 21.190 1.00 4.24 ATOM 1335 CD GLU 81 10.363 -36.793 22.657 1.00 34.43 ATOM 1336 OE1 GLU 81 9.973 -35.625 22.880 1.00 54.11 ATOM 1337 OE2 GLU 81 10.834 -37.517 23.556 1.00 32.43 ATOM 1338 C GLU 81 8.719 -35.405 19.637 1.00 34.11 ATOM 1339 O GLU 81 9.234 -34.400 20.114 1.00 52.24 ATOM 1340 N VAL 82 8.733 -35.663 18.330 1.00 74.52 ATOM 1341 HN VAL 82 8.325 -36.496 18.006 1.00 37.92 ATOM 1342 CA VAL 82 9.342 -34.743 17.363 1.00 43.30 ATOM 1343 HA VAL 82 10.378 -34.605 17.646 1.00 62.04 ATOM 1344 CB VAL 82 9.309 -35.342 15.930 1.00 12.21 ATOM 1345 HB VAL 82 8.278 -35.541 15.667 1.00 35.33 ATOM 1346 CG1 VAL 82 9.878 -34.360 14.908 1.00 34.22 ATOM 1347 HG11 VAL 82 9.827 -34.795 13.920 1.00 23.32 ATOM 1348 HG12 VAL 82 10.907 -34.140 15.150 1.00 0.21 ATOM 1349 HG13 VAL 82 9.302 -33.446 14.927 1.00 71.42 ATOM 1350 CG2 VAL 82 10.074 -36.666 15.887 1.00 53.51 ATOM 1351 HG21 VAL 82 9.629 -37.364 16.584 1.00 5.34 ATOM 1352 HG22 VAL 82 11.106 -36.498 16.159 1.00 20.23 ATOM 1353 HG23 VAL 82 10.031 -37.080 14.889 1.00 23.35 ATOM 1354 C VAL 82 8.641 -33.367 17.376 1.00 33.12 ATOM 1355 O VAL 82 9.297 -32.319 17.325 1.00 1.14 ATOM 1356 N ILE 83 7.309 -33.379 17.469 1.00 75.02 ATOM 1357 HN ILE 83 6.844 -34.244 17.499 1.00 37.92 ATOM 1358 CA ILE 83 6.518 -32.140 17.535 1.00 24.52 ATOM 1359 HA ILE 83 6.803 -31.520 16.696 1.00 65.44 ATOM 1360 CB ILE 83 4.995 -32.434 17.430 1.00 34.24 ATOM 1361 HB ILE 83 4.701 -33.004 18.302 1.00 32.21 ATOM 1362 CG1 ILE 83 4.683 -33.255 16.169 1.00 43.02 ATOM 1363 HG11 ILE 83 5.298 -34.142 16.163 1.00 37.92 ATOM 1364 HG12 ILE 83 4.907 -32.662 15.293 1.00 60.12 ATOM 1365 CG2 ILE 83 4.192 -31.132 17.424 1.00 52.14 ATOM 1366 HG21 ILE 83 4.493 -30.525 16.581 1.00 24.30 ATOM 1367 HG22 ILE 83 4.374 -30.589 18.340 1.00 4.33 ATOM 1368 HG23 ILE 83 3.137 -31.356 17.345 1.00 1.55 ATOM 1369 CD1 ILE 83 3.234 -33.693 16.071 1.00 64.03 ATOM 1370 HD11 ILE 83 3.088 -34.249 15.157 1.00 24.41 ATOM 1371 HD12 ILE 83 2.592 -32.824 16.069 1.00 15.33 ATOM 1372 HD13 ILE 83 2.987 -34.321 16.915 1.00 13.22 ATOM 1373 C ILE 83 6.796 -31.370 18.842 1.00 12.45 ATOM 1374 O ILE 83 6.735 -30.138 18.877 1.00 30.53 ATOM 1375 N ASN 84 7.094 -32.105 19.915 1.00 43.53 ATOM 1376 HN ASN 84 7.070 -33.085 19.839 1.00 37.92 ATOM 1377 CA ASN 84 7.440 -31.501 21.208 1.00 11.52 ATOM 1378 HA ASN 84 6.797 -30.643 21.355 1.00 23.41 ATOM 1379 CB ASN 84 7.200 -32.502 22.346 1.00 72.15 ATOM 1380 HB1 ASN 84 7.573 -32.085 23.271 1.00 37.92 ATOM 1381 HB2 ASN 84 7.733 -33.417 22.131 1.00 72.10 ATOM 1382 CG ASN 84 5.732 -32.838 22.531 1.00 44.10 ATOM 1383 OD1 ASN 84 4.858 -32.015 22.291 1.00 41.21 ATOM 1384 ND2 ASN 84 5.451 -34.046 22.975 1.00 0.22 ATOM 1385 HD21 ASN 84 6.196 -34.656 23.163 1.00 15.22 ATOM 1386 HD22 ASN 84 4.512 -34.283 23.093 1.00 32.12 ATOM 1387 C ASN 84 8.904 -31.028 21.237 1.00 15.14 ATOM 1388 O ASN 84 9.220 -29.980 21.801 1.00 54.35 ATOM 1389 N LYS 85 9.792 -31.813 20.631 1.00 33.22 ATOM 1390 HN LYS 85 9.482 -32.638 20.209 1.00 37.92 ATOM 1391 CA LYS 85 11.221 -31.483 20.580 1.00 4.02 ATOM 1392 HA LYS 85 11.533 -31.191 21.569 1.00 40.14 ATOM 1393 CB LYS 85 12.029 -32.716 20.138 1.00 64.54 ATOM 1394 HB1 LYS 85 13.043 -32.405 19.920 1.00 37.92 ATOM 1395 HB2 LYS 85 11.585 -33.095 19.232 1.00 53.32 ATOM 1396 CG LYS 85 12.091 -33.876 21.138 1.00 61.30 ATOM 1397 HG1 LYS 85 12.384 -34.772 20.607 1.00 37.92 ATOM 1398 HG2 LYS 85 11.107 -34.022 21.561 1.00 22.24 ATOM 1399 CD LYS 85 13.084 -33.631 22.277 1.00 62.33 ATOM 1400 HD1 LYS 85 13.935 -33.085 21.889 1.00 37.92 ATOM 1401 HD2 LYS 85 13.419 -34.585 22.658 1.00 22.51 ATOM 1402 CE LYS 85 12.472 -32.837 23.425 1.00 11.22 ATOM 1403 HE1 LYS 85 12.075 -31.911 23.042 1.00 37.92 ATOM 1404 HE2 LYS 85 13.246 -32.619 24.144 1.00 15.14 ATOM 1405 NZ LYS 85 11.381 -33.590 24.103 1.00 13.24 ATOM 1406 HZ1 LYS 85 10.799 -32.938 24.667 1.00 42.55 ATOM 1407 HZ2 LYS 85 11.783 -34.309 24.736 1.00 3.31 ATOM 1408 HZ3 LYS 85 10.774 -34.064 23.400 1.00 4.14 ATOM 1409 C LYS 85 11.500 -30.326 19.610 1.00 52.45 ATOM 1410 O LYS 85 12.560 -29.700 19.671 1.00 51.33 ATOM 1411 N LYS 86 10.544 -30.051 18.718 1.00 54.15 ATOM 1412 HN LYS 86 9.727 -30.594 18.720 1.00 37.92 ATOM 1413 CA LYS 86 10.671 -28.969 17.728 1.00 0.11 ATOM 1414 HA LYS 86 9.778 -28.978 17.118 1.00 34.44 ATOM 1415 CB LYS 86 10.779 -27.601 18.433 1.00 41.14 ATOM 1416 HB1 LYS 86 10.731 -26.821 17.686 1.00 37.92 ATOM 1417 HB2 LYS 86 11.736 -27.543 18.932 1.00 62.11 ATOM 1418 CG LYS 86 9.691 -27.336 19.470 1.00 64.45 ATOM 1419 HG1 LYS 86 9.835 -26.345 19.882 1.00 37.92 ATOM 1420 HG2 LYS 86 9.779 -28.066 20.261 1.00 51.10 ATOM 1421 CD LYS 86 8.291 -27.425 18.873 1.00 31.10 ATOM 1422 HD1 LYS 86 8.128 -28.430 18.511 1.00 37.92 ATOM 1423 HD2 LYS 86 8.215 -26.728 18.051 1.00 14.13 ATOM 1424 CE LYS 86 7.219 -27.090 19.903 1.00 21.24 ATOM 1425 HE1 LYS 86 7.342 -27.737 20.761 1.00 37.92 ATOM 1426 HE2 LYS 86 6.249 -27.259 19.463 1.00 74.20 ATOM 1427 NZ LYS 86 7.307 -25.677 20.346 1.00 0.53 ATOM 1428 HZ1 LYS 86 8.235 -25.488 20.777 1.00 0.41 ATOM 1429 HZ2 LYS 86 6.568 -25.471 21.043 1.00 21.13 ATOM 1430 HZ3 LYS 86 7.182 -25.041 19.532 1.00 62.42 ATOM 1431 C LYS 86 11.893 -29.172 16.811 1.00 10.31 ATOM 1432 O LYS 86 12.323 -28.244 16.123 1.00 20.15 ATOM 1433 N LEU 87 12.425 -30.395 16.771 1.00 2.04 ATOM 1434 HN LEU 87 11.957 -31.132 17.216 1.00 37.92 ATOM 1435 CA LEU 87 13.697 -30.664 16.081 1.00 2.41 ATOM 1436 HA LEU 87 14.246 -29.732 16.047 1.00 62.25 ATOM 1437 CB LEU 87 14.528 -31.687 16.897 1.00 53.02 ATOM 1438 HB1 LEU 87 14.342 -31.498 17.946 1.00 37.92 ATOM 1439 HB2 LEU 87 15.574 -31.492 16.709 1.00 51.25 ATOM 1440 CG LEU 87 14.268 -33.189 16.635 1.00 31.14 ATOM 1441 HG LEU 87 14.612 -33.431 15.637 1.00 2.43 ATOM 1442 CD1 LEU 87 15.068 -34.047 17.612 1.00 4.10 ATOM 1443 HD11 LEU 87 14.828 -35.089 17.457 1.00 3.42 ATOM 1444 HD12 LEU 87 14.821 -33.770 18.628 1.00 23.40 ATOM 1445 HD13 LEU 87 16.123 -33.893 17.444 1.00 14.30 ATOM 1446 CD2 LEU 87 12.783 -33.530 16.712 1.00 10.55 ATOM 1447 HD21 LEU 87 12.246 -32.981 15.952 1.00 0.51 ATOM 1448 HD22 LEU 87 12.403 -33.263 17.680 1.00 62.24 ATOM 1449 HD23 LEU 87 12.645 -34.590 16.551 1.00 43.02 ATOM 1450 C LEU 87 13.484 -31.137 14.626 1.00 4.23 ATOM 1451 O LEU 87 14.324 -31.837 14.061 1.00 32.42 ATOM 1452 N TRP 88 12.379 -30.706 14.005 1.00 12.11 ATOM 1453 HN TRP 88 11.763 -30.118 14.488 1.00 37.92 ATOM 1454 CA TRP 88 12.063 -31.084 12.614 1.00 43.23 ATOM 1455 HA TRP 88 11.879 -32.149 12.607 1.00 74.15 ATOM 1456 CB TRP 88 10.791 -30.369 12.129 1.00 13.24 ATOM 1457 HB1 TRP 88 10.738 -30.429 11.051 1.00 37.92 ATOM 1458 HB2 TRP 88 10.838 -29.330 12.420 1.00 61.20 ATOM 1459 CG TRP 88 9.513 -30.944 12.683 1.00 23.05 ATOM 1460 CD1 TRP 88 8.720 -30.408 13.660 1.00 13.21 ATOM 1461 HD1 TRP 88 8.925 -29.477 14.169 1.00 32.05 ATOM 1462 CD2 TRP 88 8.879 -32.168 12.282 1.00 2.41 ATOM 1463 NE1 TRP 88 7.629 -31.214 13.877 1.00 50.02 ATOM 1464 HE1 TRP 88 6.913 -31.041 14.522 1.00 73.03 ATOM 1465 CE2 TRP 88 7.706 -32.303 13.051 1.00 40.32 ATOM 1466 CE3 TRP 88 9.187 -33.161 11.347 1.00 24.55 ATOM 1467 HE3 TRP 88 10.076 -33.097 10.737 1.00 12.31 ATOM 1468 CZ2 TRP 88 6.847 -33.389 12.913 1.00 74.42 ATOM 1469 HZ2 TRP 88 5.949 -33.485 13.503 1.00 65.02 ATOM 1470 CZ3 TRP 88 8.333 -34.240 11.213 1.00 11.35 ATOM 1471 HZ3 TRP 88 8.558 -35.019 10.499 1.00 71.11 ATOM 1472 CH2 TRP 88 7.173 -34.346 11.993 1.00 42.20 ATOM 1473 HH2 TRP 88 6.534 -35.207 11.857 1.00 71.11 ATOM 1474 C TRP 88 13.229 -30.792 11.644 1.00 24.30 ATOM 1475 O TRP 88 13.299 -31.374 10.559 1.00 53.02 ATOM 1476 N ARG 89 14.135 -29.890 12.039 1.00 63.55 ATOM 1477 HN ARG 89 13.978 -29.393 12.870 1.00 37.92 ATOM 1478 CA ARG 89 15.346 -29.607 11.254 1.00 51.53 ATOM 1479 HA ARG 89 15.032 -29.203 10.302 1.00 32.23 ATOM 1480 CB ARG 89 16.224 -28.566 11.969 1.00 55.42 ATOM 1481 HB1 ARG 89 15.647 -27.663 12.105 1.00 37.92 ATOM 1482 HB2 ARG 89 17.079 -28.343 11.343 1.00 63.32 ATOM 1483 CG ARG 89 16.735 -29.019 13.338 1.00 72.23 ATOM 1484 HG1 ARG 89 17.243 -29.969 13.225 1.00 37.92 ATOM 1485 HG2 ARG 89 15.892 -29.140 14.003 1.00 42.20 ATOM 1486 CD ARG 89 17.704 -28.011 13.952 1.00 61.50 ATOM 1487 HD1 ARG 89 17.176 -27.084 14.128 1.00 37.92 ATOM 1488 HD2 ARG 89 18.512 -27.836 13.256 1.00 43.24 ATOM 1489 NE ARG 89 18.259 -28.488 15.219 1.00 43.31 ATOM 1490 HE ARG 89 17.626 -28.788 15.903 1.00 63.03 ATOM 1491 CZ ARG 89 19.537 -28.544 15.490 1.00 62.30 ATOM 1492 NH1 ARG 89 20.416 -28.125 14.633 1.00 4.51 ATOM 1493 HH11 ARG 89 20.119 -27.752 13.756 1.00 2.43 ATOM 1494 HH12 ARG 89 21.388 -28.175 14.853 1.00 20.32 ATOM 1495 NH2 ARG 89 19.937 -29.005 16.630 1.00 30.12 ATOM 1496 HH21 ARG 89 19.271 -29.318 17.304 1.00 63.53 ATOM 1497 HH22 ARG 89 20.913 -29.055 16.830 1.00 54.21 ATOM 1498 C ARG 89 16.162 -30.888 10.999 1.00 74.04 ATOM 1499 O ARG 89 16.774 -31.048 9.945 1.00 64.42 ATOM 1500 N GLU 90 16.173 -31.791 11.980 1.00 41.01 ATOM 1501 HN GLU 90 15.720 -31.578 12.822 1.00 37.92 ATOM 1502 CA GLU 90 16.841 -33.092 11.842 1.00 65.54 ATOM 1503 HA GLU 90 17.873 -32.913 11.574 1.00 13.30 ATOM 1504 CB GLU 90 16.791 -33.854 13.176 1.00 62.42 ATOM 1505 HB1 GLU 90 17.153 -34.862 13.014 1.00 37.92 ATOM 1506 HB2 GLU 90 15.762 -33.904 13.509 1.00 34.11 ATOM 1507 CG GLU 90 17.620 -33.222 14.288 1.00 40.04 ATOM 1508 HG1 GLU 90 17.416 -33.744 15.212 1.00 37.92 ATOM 1509 HG2 GLU 90 17.328 -32.186 14.393 1.00 51.52 ATOM 1510 CD GLU 90 19.114 -33.286 14.009 1.00 42.33 ATOM 1511 OE1 GLU 90 19.684 -32.275 13.548 1.00 21.11 ATOM 1512 OE2 GLU 90 19.720 -34.356 14.242 1.00 12.04 ATOM 1513 C GLU 90 16.180 -33.933 10.744 1.00 34.21 ATOM 1514 O GLU 90 16.851 -34.640 9.990 1.00 12.14 ATOM 1515 N ILE 91 14.858 -33.836 10.658 1.00 72.53 ATOM 1516 HN ILE 91 14.388 -33.222 11.258 1.00 37.92 ATOM 1517 CA ILE 91 14.087 -34.606 9.684 1.00 64.11 ATOM 1518 HA ILE 91 14.387 -35.642 9.767 1.00 32.30 ATOM 1519 CB ILE 91 12.569 -34.513 9.975 1.00 21.41 ATOM 1520 HB ILE 91 12.242 -33.509 9.744 1.00 15.23 ATOM 1521 CG1 ILE 91 12.287 -34.798 11.463 1.00 22.32 ATOM 1522 HG11 ILE 91 11.221 -34.741 11.638 1.00 37.92 ATOM 1523 HG12 ILE 91 12.782 -34.049 12.064 1.00 62.20 ATOM 1524 CG2 ILE 91 11.791 -35.476 9.082 1.00 20.13 ATOM 1525 HG21 ILE 91 12.114 -36.490 9.272 1.00 74.42 ATOM 1526 HG22 ILE 91 11.969 -35.231 8.045 1.00 11.04 ATOM 1527 HG23 ILE 91 10.735 -35.391 9.293 1.00 65.23 ATOM 1528 CD1 ILE 91 12.763 -36.155 11.943 1.00 63.23 ATOM 1529 HD11 ILE 91 12.523 -36.270 12.989 1.00 30.21 ATOM 1530 HD12 ILE 91 13.833 -36.229 11.811 1.00 54.53 ATOM 1531 HD13 ILE 91 12.275 -36.932 11.374 1.00 60.22 ATOM 1532 C ILE 91 14.369 -34.120 8.252 1.00 73.32 ATOM 1533 O ILE 91 14.752 -34.906 7.385 1.00 53.25 ATOM 1534 N THR 92 14.201 -32.815 8.018 1.00 22.13 ATOM 1535 HN THR 92 13.874 -32.238 8.742 1.00 37.92 ATOM 1536 CA THR 92 14.507 -32.214 6.708 1.00 70.45 ATOM 1537 HA THR 92 13.881 -32.695 5.967 1.00 43.42 ATOM 1538 CB THR 92 14.214 -30.692 6.680 1.00 1.02 ATOM 1539 HB THR 92 14.642 -30.279 5.775 1.00 53.34 ATOM 1540 OG1 THR 92 14.830 -30.055 7.809 1.00 23.03 ATOM 1541 HG1 THR 92 15.033 -29.141 7.592 1.00 23.53 ATOM 1542 CG2 THR 92 12.714 -30.409 6.675 1.00 14.45 ATOM 1543 HG21 THR 92 12.262 -30.833 7.560 1.00 51.24 ATOM 1544 HG22 THR 92 12.265 -30.851 5.796 1.00 70.45 ATOM 1545 HG23 THR 92 12.548 -29.341 6.662 1.00 20.41 ATOM 1546 C THR 92 15.975 -32.430 6.327 1.00 72.22 ATOM 1547 O THR 92 16.286 -32.777 5.186 1.00 3.04 ATOM 1548 N LYS 93 16.875 -32.228 7.289 1.00 25.32 ATOM 1549 HN LYS 93 16.567 -31.925 8.173 1.00 37.92 ATOM 1550 CA LYS 93 18.313 -32.427 7.064 1.00 21.34 ATOM 1551 HA LYS 93 18.623 -31.740 6.288 1.00 43.05 ATOM 1552 CB LYS 93 19.095 -32.122 8.352 1.00 14.14 ATOM 1553 HB1 LYS 93 19.046 -32.986 9.001 1.00 37.92 ATOM 1554 HB2 LYS 93 18.624 -31.288 8.852 1.00 73.03 ATOM 1555 CG LYS 93 20.563 -31.771 8.133 1.00 15.14 ATOM 1556 HG1 LYS 93 21.033 -32.557 7.557 1.00 37.92 ATOM 1557 HG2 LYS 93 21.050 -31.689 9.094 1.00 4.53 ATOM 1558 CD LYS 93 20.713 -30.448 7.385 1.00 61.34 ATOM 1559 HD1 LYS 93 20.145 -29.688 7.904 1.00 37.92 ATOM 1560 HD2 LYS 93 20.323 -30.567 6.385 1.00 75.33 ATOM 1561 CE LYS 93 22.168 -30.002 7.294 1.00 70.34 ATOM 1562 HE1 LYS 93 22.564 -29.894 8.296 1.00 37.92 ATOM 1563 HE2 LYS 93 22.208 -29.047 6.790 1.00 32.35 ATOM 1564 NZ LYS 93 23.006 -30.976 6.546 1.00 24.51 ATOM 1565 HZ1 LYS 93 22.997 -31.900 7.023 1.00 73.33 ATOM 1566 HZ2 LYS 93 23.985 -30.639 6.495 1.00 4.24 ATOM 1567 HZ3 LYS 93 22.642 -31.095 5.578 1.00 50.53 ATOM 1568 C LYS 93 18.602 -33.867 6.599 1.00 62.32 ATOM 1569 O LYS 93 19.418 -34.093 5.703 1.00 73.05 ATOM 1570 N GLY 94 17.914 -34.833 7.209 1.00 52.33 ATOM 1571 HN GLY 94 17.300 -34.594 7.937 1.00 37.92 ATOM 1572 CA GLY 94 18.060 -36.233 6.822 1.00 4.20 ATOM 1573 HA1 GLY 94 17.562 -36.849 7.558 1.00 37.92 ATOM 1574 HA2 GLY 94 19.111 -36.488 6.815 1.00 44.43 ATOM 1575 C GLY 94 17.470 -36.540 5.447 1.00 34.34 ATOM 1576 O GLY 94 17.904 -37.476 4.771 1.00 53.13 ATOM 1577 N LEU 95 16.484 -35.746 5.029 1.00 65.32 ATOM 1578 HN LEU 95 16.172 -35.024 5.617 1.00 37.92 ATOM 1579 CA LEU 95 15.843 -35.921 3.719 1.00 54.22 ATOM 1580 HA LEU 95 15.905 -36.966 3.454 1.00 61.13 ATOM 1581 CB LEU 95 14.360 -35.515 3.796 1.00 23.14 ATOM 1582 HB1 LEU 95 13.909 -35.698 2.831 1.00 37.92 ATOM 1583 HB2 LEU 95 14.312 -34.454 3.998 1.00 40.11 ATOM 1584 CG LEU 95 13.523 -36.242 4.861 1.00 34.21 ATOM 1585 HG LEU 95 13.925 -36.008 5.837 1.00 10.25 ATOM 1586 CD1 LEU 95 12.075 -35.764 4.834 1.00 74.20 ATOM 1587 HD11 LEU 95 12.044 -34.701 5.019 1.00 51.30 ATOM 1588 HD12 LEU 95 11.511 -36.278 5.599 1.00 60.40 ATOM 1589 HD13 LEU 95 11.642 -35.973 3.866 1.00 33.34 ATOM 1590 CD2 LEU 95 13.599 -37.754 4.678 1.00 64.23 ATOM 1591 HD21 LEU 95 12.962 -38.238 5.405 1.00 44.33 ATOM 1592 HD22 LEU 95 14.618 -38.081 4.821 1.00 52.30 ATOM 1593 HD23 LEU 95 13.273 -38.016 3.681 1.00 44.12 ATOM 1594 C LEU 95 16.553 -35.094 2.631 1.00 5.33 ATOM 1595 O LEU 95 16.056 -34.973 1.512 1.00 12.12 ATOM 1596 N ASN 96 17.717 -34.523 2.973 1.00 53.52 ATOM 1597 HN ASN 96 18.055 -34.654 3.883 1.00 37.92 ATOM 1598 CA ASN 96 18.509 -33.708 2.033 1.00 44.21 ATOM 1599 HA ASN 96 19.428 -33.438 2.534 1.00 73.43 ATOM 1600 CB ASN 96 18.851 -34.539 0.779 1.00 12.31 ATOM 1601 HB1 ASN 96 17.942 -34.724 0.222 1.00 37.92 ATOM 1602 HB2 ASN 96 19.269 -35.485 1.089 1.00 43.41 ATOM 1603 CG ASN 96 19.852 -33.864 -0.149 1.00 14.50 ATOM 1604 OD1 ASN 96 19.797 -34.033 -1.364 1.00 22.31 ATOM 1605 ND2 ASN 96 20.781 -33.111 0.407 1.00 11.01 ATOM 1606 HD21 ASN 96 20.789 -33.020 1.381 1.00 32.13 ATOM 1607 HD22 ASN 96 21.421 -32.660 -0.185 1.00 65.32 ATOM 1608 C ASN 96 17.763 -32.408 1.651 1.00 40.54 ATOM 1609 O ASN 96 18.060 -31.774 0.636 1.00 45.14 ATOM 1610 N LEU 97 16.813 -32.004 2.493 1.00 53.21 ATOM 1611 HN LEU 97 16.655 -32.520 3.309 1.00 37.92 ATOM 1612 CA LEU 97 15.998 -30.810 2.237 1.00 41.11 ATOM 1613 HA LEU 97 15.863 -30.726 1.168 1.00 55.21 ATOM 1614 CB LEU 97 14.619 -30.958 2.900 1.00 71.11 ATOM 1615 HB1 LEU 97 14.030 -30.084 2.657 1.00 37.92 ATOM 1616 HB2 LEU 97 14.761 -30.986 3.972 1.00 31.10 ATOM 1617 CG LEU 97 13.817 -32.204 2.490 1.00 62.14 ATOM 1618 HG LEU 97 14.352 -33.086 2.816 1.00 32.21 ATOM 1619 CD1 LEU 97 12.451 -32.216 3.172 1.00 11.33 ATOM 1620 HD11 LEU 97 11.909 -33.104 2.879 1.00 55.41 ATOM 1621 HD12 LEU 97 11.891 -31.340 2.877 1.00 32.33 ATOM 1622 HD13 LEU 97 12.582 -32.214 4.245 1.00 73.53 ATOM 1623 CD2 LEU 97 13.668 -32.283 0.971 1.00 54.42 ATOM 1624 HD21 LEU 97 14.645 -32.374 0.519 1.00 11.32 ATOM 1625 HD22 LEU 97 13.184 -31.388 0.607 1.00 44.13 ATOM 1626 HD23 LEU 97 13.071 -33.145 0.712 1.00 41.42 ATOM 1627 C LEU 97 16.687 -29.529 2.749 1.00 11.33 ATOM 1628 O LEU 97 17.371 -29.543 3.778 1.00 12.32 ATOM 1629 N PRO 98 16.505 -28.399 2.038 1.00 34.01 ATOM 1630 CA PRO 98 17.080 -27.108 2.441 1.00 24.43 ATOM 1631 HA PRO 98 18.130 -27.207 2.682 1.00 11.10 ATOM 1632 CB PRO 98 16.923 -26.247 1.180 1.00 24.10 ATOM 1633 HB1 PRO 98 17.818 -26.320 0.578 1.00 37.92 ATOM 1634 HB2 PRO 98 16.758 -25.214 1.458 1.00 52.44 ATOM 1635 CG PRO 98 15.742 -26.819 0.470 1.00 21.35 ATOM 1636 HG1 PRO 98 15.843 -26.663 -0.595 1.00 37.92 ATOM 1637 HG2 PRO 98 14.835 -26.352 0.830 1.00 11.42 ATOM 1638 CD PRO 98 15.729 -28.297 0.785 1.00 45.05 ATOM 1639 HD1 PRO 98 16.206 -28.858 -0.005 1.00 37.92 ATOM 1640 HD2 PRO 98 14.714 -28.644 0.936 1.00 61.44 ATOM 1641 C PRO 98 16.345 -26.475 3.642 1.00 4.34 ATOM 1642 O PRO 98 15.115 -26.489 3.717 1.00 33.11 ATOM 1643 N THR 99 17.110 -25.898 4.569 1.00 5.33 ATOM 1644 HN THR 99 18.082 -25.879 4.433 1.00 37.92 ATOM 1645 CA THR 99 16.549 -25.305 5.800 1.00 40.13 ATOM 1646 HA THR 99 15.854 -26.020 6.221 1.00 35.14 ATOM 1647 CB THR 99 17.668 -25.052 6.850 1.00 45.33 ATOM 1648 HB THR 99 18.136 -25.999 7.082 1.00 54.03 ATOM 1649 OG1 THR 99 17.122 -24.503 8.062 1.00 33.42 ATOM 1650 HG1 THR 99 16.690 -23.660 7.870 1.00 3.23 ATOM 1651 CG2 THR 99 18.736 -24.115 6.297 1.00 20.11 ATOM 1652 HG21 THR 99 18.295 -23.155 6.074 1.00 74.22 ATOM 1653 HG22 THR 99 19.156 -24.537 5.395 1.00 60.52 ATOM 1654 HG23 THR 99 19.520 -23.987 7.031 1.00 73.21 ATOM 1655 C THR 99 15.792 -23.985 5.535 1.00 61.25 ATOM 1656 O THR 99 15.331 -23.321 6.465 1.00 1.21 ATOM 1657 N SER 100 15.650 -23.614 4.263 1.00 63.42 ATOM 1658 HN SER 100 16.021 -24.184 3.561 1.00 37.92 ATOM 1659 CA SER 100 14.963 -22.369 3.881 1.00 44.25 ATOM 1660 HA SER 100 14.877 -21.753 4.765 1.00 43.44 ATOM 1661 CB SER 100 15.796 -21.610 2.834 1.00 4.43 ATOM 1662 HB1 SER 100 15.878 -22.211 1.940 1.00 37.92 ATOM 1663 HB2 SER 100 16.783 -21.426 3.231 1.00 64.32 ATOM 1664 OG SER 100 15.208 -20.360 2.490 1.00 0.25 ATOM 1665 HG SER 100 14.284 -20.346 2.773 1.00 4.40 ATOM 1666 C SER 100 13.548 -22.635 3.332 1.00 41.22 ATOM 1667 O SER 100 12.994 -21.813 2.602 1.00 1.24 ATOM 1668 N ILE 101 12.965 -23.782 3.674 1.00 10.42 ATOM 1669 HN ILE 101 13.459 -24.425 4.224 1.00 37.92 ATOM 1670 CA ILE 101 11.594 -24.105 3.248 1.00 45.30 ATOM 1671 HA ILE 101 11.424 -23.630 2.291 1.00 71.12 ATOM 1672 CB ILE 101 11.394 -25.631 3.070 1.00 54.31 ATOM 1673 HB ILE 101 11.589 -26.108 4.021 1.00 54.34 ATOM 1674 CG1 ILE 101 12.374 -26.187 2.024 1.00 4.43 ATOM 1675 HG11 ILE 101 13.386 -25.946 2.323 1.00 37.92 ATOM 1676 HG12 ILE 101 12.170 -25.728 1.067 1.00 1.35 ATOM 1677 CG2 ILE 101 9.948 -25.943 2.672 1.00 64.32 ATOM 1678 HG21 ILE 101 9.720 -25.463 1.732 1.00 11.43 ATOM 1679 HG22 ILE 101 9.275 -25.577 3.435 1.00 14.42 ATOM 1680 HG23 ILE 101 9.824 -27.012 2.570 1.00 35.33 ATOM 1681 CD1 ILE 101 12.289 -27.688 1.841 1.00 12.24 ATOM 1682 HD11 ILE 101 13.004 -28.001 1.096 1.00 43.52 ATOM 1683 HD12 ILE 101 11.293 -27.957 1.519 1.00 14.23 ATOM 1684 HD13 ILE 101 12.509 -28.179 2.778 1.00 43.42 ATOM 1685 C ILE 101 10.554 -23.579 4.253 1.00 41.30 ATOM 1686 O ILE 101 10.516 -24.008 5.410 1.00 60.04 ATOM 1687 N THR 102 9.707 -22.655 3.801 1.00 75.33 ATOM 1688 HN THR 102 9.791 -22.350 2.874 1.00 37.92 ATOM 1689 CA THR 102 8.659 -22.072 4.649 1.00 30.22 ATOM 1690 HA THR 102 9.140 -21.653 5.523 1.00 70.11 ATOM 1691 CB THR 102 7.910 -20.928 3.917 1.00 44.44 ATOM 1692 HB THR 102 7.468 -21.329 3.014 1.00 32.41 ATOM 1693 OG1 THR 102 8.833 -19.886 3.556 1.00 34.23 ATOM 1694 HG1 THR 102 8.677 -19.627 2.636 1.00 23.00 ATOM 1695 CG2 THR 102 6.798 -20.340 4.784 1.00 73.13 ATOM 1696 HG21 THR 102 6.302 -19.544 4.246 1.00 25.20 ATOM 1697 HG22 THR 102 7.220 -19.947 5.697 1.00 4.31 ATOM 1698 HG23 THR 102 6.079 -21.111 5.023 1.00 41.02 ATOM 1699 C THR 102 7.636 -23.126 5.104 1.00 45.12 ATOM 1700 O THR 102 7.028 -23.813 4.281 1.00 23.12 ATOM 1701 N SER 103 7.460 -23.242 6.423 1.00 35.54 ATOM 1702 HN SER 103 8.011 -22.688 7.018 1.00 37.92 ATOM 1703 CA SER 103 6.467 -24.152 7.023 1.00 41.53 ATOM 1704 HA SER 103 6.526 -24.020 8.093 1.00 13.00 ATOM 1705 CB SER 103 5.047 -23.774 6.570 1.00 12.34 ATOM 1706 HB1 SER 103 4.338 -24.485 6.971 1.00 37.92 ATOM 1707 HB2 SER 103 4.997 -23.786 5.491 1.00 1.14 ATOM 1708 OG SER 103 4.699 -22.474 7.027 1.00 55.02 ATOM 1709 HG SER 103 5.503 -21.947 7.136 1.00 43.34 ATOM 1710 C SER 103 6.748 -25.630 6.712 1.00 52.01 ATOM 1711 O SER 103 5.833 -26.460 6.719 1.00 1.14 ATOM 1712 N ALA 104 8.018 -25.961 6.471 1.00 1.35 ATOM 1713 HN ALA 104 8.692 -25.249 6.411 1.00 37.92 ATOM 1714 CA ALA 104 8.432 -27.355 6.261 1.00 74.01 ATOM 1715 HA ALA 104 7.976 -27.703 5.344 1.00 11.32 ATOM 1716 CB ALA 104 9.946 -27.435 6.097 1.00 74.31 ATOM 1717 HB1 ALA 104 10.231 -28.447 5.845 1.00 62.14 ATOM 1718 HB2 ALA 104 10.425 -27.148 7.022 1.00 4.25 ATOM 1719 HB3 ALA 104 10.259 -26.765 5.309 1.00 34.54 ATOM 1720 C ALA 104 7.975 -28.259 7.421 1.00 14.43 ATOM 1721 O ALA 104 7.327 -29.281 7.206 1.00 52.21 ATOM 1722 N ALA 105 8.307 -27.852 8.649 1.00 63.15 ATOM 1723 HN ALA 105 8.830 -27.031 8.747 1.00 37.92 ATOM 1724 CA ALA 105 7.925 -28.597 9.859 1.00 34.13 ATOM 1725 HA ALA 105 8.417 -29.560 9.827 1.00 44.22 ATOM 1726 CB ALA 105 8.419 -27.855 11.097 1.00 72.11 ATOM 1727 HB1 ALA 105 7.929 -26.893 11.161 1.00 33.24 ATOM 1728 HB2 ALA 105 9.487 -27.709 11.029 1.00 44.13 ATOM 1729 HB3 ALA 105 8.192 -28.435 11.980 1.00 3.05 ATOM 1730 C ALA 105 6.405 -28.815 9.944 1.00 72.24 ATOM 1731 O ALA 105 5.937 -29.936 10.155 1.00 72.01 ATOM 1732 N PHE 106 5.645 -27.733 9.772 1.00 64.10 ATOM 1733 HN PHE 106 6.083 -26.872 9.621 1.00 37.92 ATOM 1734 CA PHE 106 4.177 -27.784 9.804 1.00 60.32 ATOM 1735 HA PHE 106 3.876 -28.079 10.798 1.00 52.13 ATOM 1736 CB PHE 106 3.613 -26.385 9.506 1.00 64.24 ATOM 1737 HB1 PHE 106 3.903 -26.095 8.505 1.00 37.92 ATOM 1738 HB2 PHE 106 4.036 -25.680 10.209 1.00 15.23 ATOM 1739 CG PHE 106 2.109 -26.281 9.603 1.00 10.20 ATOM 1740 CD1 PHE 106 1.310 -26.427 8.474 1.00 4.13 ATOM 1741 HD1 PHE 106 1.774 -26.627 7.518 1.00 65.04 ATOM 1742 CD2 PHE 106 1.496 -26.027 10.821 1.00 61.35 ATOM 1743 HD2 PHE 106 2.104 -25.910 11.708 1.00 32.10 ATOM 1744 CE1 PHE 106 -0.065 -26.323 8.562 1.00 42.45 ATOM 1745 HE1 PHE 106 -0.673 -26.437 7.677 1.00 25.53 ATOM 1746 CE2 PHE 106 0.120 -25.922 10.912 1.00 30.12 ATOM 1747 HE2 PHE 106 -0.345 -25.726 11.868 1.00 61.11 ATOM 1748 CZ PHE 106 -0.661 -26.071 9.782 1.00 40.42 ATOM 1749 HZ PHE 106 -1.736 -25.989 9.854 1.00 2.44 ATOM 1750 C PHE 106 3.628 -28.806 8.792 1.00 31.45 ATOM 1751 O PHE 106 2.709 -29.571 9.093 1.00 53.22 ATOM 1752 N THR 107 4.206 -28.810 7.593 1.00 41.23 ATOM 1753 HN THR 107 4.929 -28.172 7.415 1.00 37.92 ATOM 1754 CA THR 107 3.795 -29.733 6.529 1.00 31.40 ATOM 1755 HA THR 107 2.725 -29.637 6.404 1.00 71.34 ATOM 1756 CB THR 107 4.473 -29.374 5.184 1.00 0.00 ATOM 1757 HB THR 107 5.544 -29.471 5.299 1.00 43.14 ATOM 1758 OG1 THR 107 4.166 -28.017 4.828 1.00 31.42 ATOM 1759 HG1 THR 107 4.885 -27.441 5.108 1.00 11.03 ATOM 1760 CG2 THR 107 4.016 -30.306 4.063 1.00 74.22 ATOM 1761 HG21 THR 107 2.942 -30.246 3.959 1.00 71.20 ATOM 1762 HG22 THR 107 4.297 -31.323 4.300 1.00 54.24 ATOM 1763 HG23 THR 107 4.485 -30.011 3.136 1.00 50.33 ATOM 1764 C THR 107 4.124 -31.190 6.887 1.00 31.41 ATOM 1765 O THR 107 3.266 -32.071 6.789 1.00 42.03 ATOM 1766 N LEU 108 5.367 -31.435 7.311 1.00 55.11 ATOM 1767 HN LEU 108 6.005 -30.691 7.373 1.00 37.92 ATOM 1768 CA LEU 108 5.808 -32.786 7.693 1.00 12.31 ATOM 1769 HA LEU 108 5.726 -33.417 6.819 1.00 54.24 ATOM 1770 CB LEU 108 7.274 -32.762 8.153 1.00 35.44 ATOM 1771 HB1 LEU 108 7.545 -33.759 8.473 1.00 37.92 ATOM 1772 HB2 LEU 108 7.348 -32.100 9.006 1.00 44.23 ATOM 1773 CG LEU 108 8.298 -32.304 7.100 1.00 0.20 ATOM 1774 HG LEU 108 8.072 -31.288 6.809 1.00 31.43 ATOM 1775 CD1 LEU 108 9.710 -32.319 7.682 1.00 52.23 ATOM 1776 HD11 LEU 108 10.411 -31.965 6.940 1.00 62.02 ATOM 1777 HD12 LEU 108 9.971 -33.326 7.972 1.00 50.15 ATOM 1778 HD13 LEU 108 9.750 -31.674 8.548 1.00 64.35 ATOM 1779 CD2 LEU 108 8.220 -33.179 5.850 1.00 12.41 ATOM 1780 HD21 LEU 108 8.929 -32.825 5.115 1.00 22.31 ATOM 1781 HD22 LEU 108 7.223 -33.133 5.436 1.00 44.24 ATOM 1782 HD23 LEU 108 8.453 -34.203 6.109 1.00 73.52 ATOM 1783 C LEU 108 4.923 -33.372 8.805 1.00 60.04 ATOM 1784 O LEU 108 4.541 -34.543 8.758 1.00 61.34 ATOM 1785 N ARG 109 4.598 -32.542 9.796 1.00 72.41 ATOM 1786 HN ARG 109 4.968 -31.632 9.790 1.00 37.92 ATOM 1787 CA ARG 109 3.718 -32.940 10.901 1.00 52.32 ATOM 1788 HA ARG 109 4.232 -33.689 11.487 1.00 12.40 ATOM 1789 CB ARG 109 3.425 -31.722 11.788 1.00 45.12 ATOM 1790 HB1 ARG 109 3.005 -30.938 11.176 1.00 37.92 ATOM 1791 HB2 ARG 109 4.358 -31.370 12.206 1.00 24.15 ATOM 1792 CG ARG 109 2.463 -32.005 12.941 1.00 21.43 ATOM 1793 HG1 ARG 109 3.029 -32.364 13.788 1.00 37.92 ATOM 1794 HG2 ARG 109 1.761 -32.765 12.632 1.00 5.01 ATOM 1795 CD ARG 109 1.683 -30.759 13.359 1.00 23.31 ATOM 1796 HD1 ARG 109 2.380 -29.948 13.521 1.00 37.92 ATOM 1797 HD2 ARG 109 1.155 -30.969 14.279 1.00 31.11 ATOM 1798 NE ARG 109 0.714 -30.359 12.335 1.00 13.05 ATOM 1799 HE ARG 109 0.603 -30.950 11.566 1.00 53.23 ATOM 1800 CZ ARG 109 -0.030 -29.287 12.395 1.00 24.32 ATOM 1801 NH1 ARG 109 0.088 -28.452 13.378 1.00 12.54 ATOM 1802 HH11 ARG 109 0.750 -28.623 14.098 1.00 35.24 ATOM 1803 HH12 ARG 109 -0.495 -27.639 13.411 1.00 64.15 ATOM 1804 NH2 ARG 109 -0.886 -29.045 11.454 1.00 3.53 ATOM 1805 HH21 ARG 109 -0.974 -29.678 10.686 1.00 25.10 ATOM 1806 HH22 ARG 109 -1.465 -28.232 11.505 1.00 31.34 ATOM 1807 C ARG 109 2.393 -33.529 10.386 1.00 55.10 ATOM 1808 O ARG 109 1.986 -34.625 10.781 1.00 53.04 ATOM 1809 N THR 110 1.727 -32.793 9.500 1.00 74.44 ATOM 1810 HN THR 110 2.122 -31.949 9.188 1.00 37.92 ATOM 1811 CA THR 110 0.422 -33.208 8.972 1.00 65.22 ATOM 1812 HA THR 110 -0.205 -33.465 9.816 1.00 62.01 ATOM 1813 CB THR 110 -0.266 -32.052 8.205 1.00 24.23 ATOM 1814 HB THR 110 0.387 -31.732 7.404 1.00 32.55 ATOM 1815 OG1 THR 110 -0.495 -30.940 9.088 1.00 62.53 ATOM 1816 HG1 THR 110 -0.865 -30.203 8.581 1.00 44.43 ATOM 1817 CG2 THR 110 -1.599 -32.494 7.599 1.00 54.44 ATOM 1818 HG21 THR 110 -2.072 -31.652 7.116 1.00 4.51 ATOM 1819 HG22 THR 110 -2.246 -32.870 8.381 1.00 41.20 ATOM 1820 HG23 THR 110 -1.426 -33.273 6.871 1.00 35.52 ATOM 1821 C THR 110 0.532 -34.432 8.049 1.00 22.33 ATOM 1822 O THR 110 -0.212 -35.400 8.204 1.00 63.23 ATOM 1823 N GLN 111 1.466 -34.395 7.098 1.00 11.21 ATOM 1824 HN GLN 111 2.073 -33.624 7.050 1.00 37.92 ATOM 1825 CA GLN 111 1.612 -35.487 6.126 1.00 73.21 ATOM 1826 HA GLN 111 0.653 -35.616 5.640 1.00 34.11 ATOM 1827 CB GLN 111 2.654 -35.125 5.057 1.00 13.20 ATOM 1828 HB1 GLN 111 2.692 -35.919 4.324 1.00 37.92 ATOM 1829 HB2 GLN 111 3.623 -35.040 5.529 1.00 25.42 ATOM 1830 CG GLN 111 2.363 -33.813 4.326 1.00 42.15 ATOM 1831 HG1 GLN 111 3.100 -33.682 3.546 1.00 37.92 ATOM 1832 HG2 GLN 111 2.447 -33.000 5.033 1.00 22.20 ATOM 1833 CD GLN 111 0.976 -33.761 3.695 1.00 41.50 ATOM 1834 OE1 GLN 111 0.413 -34.778 3.292 1.00 65.05 ATOM 1835 NE2 GLN 111 0.414 -32.573 3.601 1.00 24.45 ATOM 1836 HE21 GLN 111 0.908 -31.796 3.937 1.00 75.01 ATOM 1837 HE22 GLN 111 -0.476 -32.517 3.199 1.00 73.51 ATOM 1838 C GLN 111 1.985 -36.813 6.815 1.00 33.34 ATOM 1839 O GLN 111 1.455 -37.872 6.471 1.00 75.42 ATOM 1840 N TYR 112 2.885 -36.747 7.797 1.00 23.33 ATOM 1841 HN TYR 112 3.309 -35.885 8.000 1.00 37.92 ATOM 1842 CA TYR 112 3.259 -37.931 8.584 1.00 71.43 ATOM 1843 HA TYR 112 3.664 -38.668 7.903 1.00 72.23 ATOM 1844 CB TYR 112 4.329 -37.562 9.623 1.00 74.04 ATOM 1845 HB1 TYR 112 3.889 -36.911 10.366 1.00 37.92 ATOM 1846 HB2 TYR 112 5.132 -37.034 9.128 1.00 0.12 ATOM 1847 CG TYR 112 4.934 -38.754 10.346 1.00 14.43 ATOM 1848 CD1 TYR 112 4.371 -39.257 11.515 1.00 62.43 ATOM 1849 HD1 TYR 112 3.479 -38.792 11.910 1.00 24.42 ATOM 1850 CD2 TYR 112 6.080 -39.370 9.860 1.00 23.52 ATOM 1851 HD2 TYR 112 6.532 -38.998 8.952 1.00 54.41 ATOM 1852 CE1 TYR 112 4.935 -40.333 12.176 1.00 45.04 ATOM 1853 HE1 TYR 112 4.481 -40.708 13.083 1.00 31.14 ATOM 1854 CE2 TYR 112 6.645 -40.447 10.512 1.00 61.12 ATOM 1855 HE2 TYR 112 7.535 -40.909 10.116 1.00 4.13 ATOM 1856 CZ TYR 112 6.073 -40.924 11.670 1.00 72.42 ATOM 1857 OH TYR 112 6.643 -41.993 12.323 1.00 14.22 ATOM 1858 HH TYR 112 6.022 -42.342 12.976 1.00 22.11 ATOM 1859 C TYR 112 2.026 -38.522 9.286 1.00 75.33 ATOM 1860 O TYR 112 1.809 -39.737 9.280 1.00 63.04 ATOM 1861 N MET 113 1.215 -37.640 9.872 1.00 13.14 ATOM 1862 HN MET 113 1.454 -36.688 9.840 1.00 37.92 ATOM 1863 CA MET 113 -0.017 -38.035 10.566 1.00 35.33 ATOM 1864 HA MET 113 0.253 -38.719 11.355 1.00 14.33 ATOM 1865 CB MET 113 -0.674 -36.795 11.187 1.00 54.11 ATOM 1866 HB1 MET 113 -1.014 -36.146 10.393 1.00 37.92 ATOM 1867 HB2 MET 113 0.066 -36.269 11.772 1.00 64.41 ATOM 1868 CG MET 113 -1.860 -37.100 12.091 1.00 32.42 ATOM 1869 HG1 MET 113 -1.521 -37.707 12.919 1.00 37.92 ATOM 1870 HG2 MET 113 -2.600 -37.648 11.525 1.00 72.03 ATOM 1871 SD MET 113 -2.628 -35.603 12.745 1.00 5.23 ATOM 1872 CE MET 113 -1.233 -34.828 13.566 1.00 12.12 ATOM 1873 HE1 MET 113 -0.830 -35.503 14.306 1.00 70.44 ATOM 1874 HE2 MET 113 -1.560 -33.919 14.049 1.00 64.41 ATOM 1875 HE3 MET 113 -0.470 -34.593 12.838 1.00 53.43 ATOM 1876 C MET 113 -1.004 -38.739 9.614 1.00 12.35 ATOM 1877 O MET 113 -1.787 -39.595 10.031 1.00 32.23 ATOM 1878 N LYS 114 -0.955 -38.364 8.338 1.00 2.23 ATOM 1879 HN LYS 114 -0.312 -37.671 8.076 1.00 37.92 ATOM 1880 CA LYS 114 -1.832 -38.943 7.311 1.00 71.32 ATOM 1881 HA LYS 114 -2.832 -39.000 7.718 1.00 41.31 ATOM 1882 CB LYS 114 -1.855 -38.029 6.076 1.00 1.10 ATOM 1883 HB1 LYS 114 -2.408 -38.523 5.288 1.00 37.92 ATOM 1884 HB2 LYS 114 -0.838 -37.872 5.741 1.00 10.13 ATOM 1885 CG LYS 114 -2.493 -36.664 6.323 1.00 62.52 ATOM 1886 HG1 LYS 114 -2.088 -36.248 7.235 1.00 37.92 ATOM 1887 HG2 LYS 114 -3.561 -36.794 6.432 1.00 33.44 ATOM 1888 CD LYS 114 -2.230 -35.690 5.173 1.00 22.53 ATOM 1889 HD1 LYS 114 -1.169 -35.474 5.132 1.00 37.92 ATOM 1890 HD2 LYS 114 -2.772 -34.774 5.360 1.00 32.33 ATOM 1891 CE LYS 114 -2.672 -36.253 3.826 1.00 64.24 ATOM 1892 HE1 LYS 114 -3.733 -36.453 3.864 1.00 37.92 ATOM 1893 HE2 LYS 114 -2.140 -37.175 3.638 1.00 10.34 ATOM 1894 NZ LYS 114 -2.399 -35.305 2.715 1.00 32.25 ATOM 1895 HZ1 LYS 114 -2.633 -35.744 1.802 1.00 74.42 ATOM 1896 HZ2 LYS 114 -1.395 -35.036 2.711 1.00 2.42 ATOM 1897 HZ3 LYS 114 -2.974 -34.446 2.831 1.00 43.22 ATOM 1898 C LYS 114 -1.385 -40.354 6.887 1.00 53.00 ATOM 1899 O LYS 114 -2.184 -41.292 6.875 1.00 60.32 ATOM 1900 N TYR 115 -0.106 -40.493 6.537 1.00 50.23 ATOM 1901 HN TYR 115 0.507 -39.741 6.675 1.00 37.92 ATOM 1902 CA TYR 115 0.404 -41.741 5.943 1.00 42.03 ATOM 1903 HA TYR 115 -0.431 -42.257 5.492 1.00 33.14 ATOM 1904 CB TYR 115 1.430 -41.416 4.842 1.00 43.11 ATOM 1905 HB1 TYR 115 1.770 -42.340 4.394 1.00 37.92 ATOM 1906 HB2 TYR 115 2.276 -40.911 5.287 1.00 24.32 ATOM 1907 CG TYR 115 0.896 -40.528 3.728 1.00 4.51 ATOM 1908 CD1 TYR 115 0.170 -41.064 2.671 1.00 31.03 ATOM 1909 HD1 TYR 115 -0.013 -42.128 2.646 1.00 35.02 ATOM 1910 CD2 TYR 115 1.120 -39.155 3.735 1.00 2.32 ATOM 1911 HD2 TYR 115 1.682 -38.719 4.548 1.00 62.14 ATOM 1912 CE1 TYR 115 -0.315 -40.261 1.657 1.00 34.54 ATOM 1913 HE1 TYR 115 -0.878 -40.698 0.847 1.00 0.34 ATOM 1914 CE2 TYR 115 0.638 -38.346 2.724 1.00 14.40 ATOM 1915 HE2 TYR 115 0.824 -37.280 2.750 1.00 12.43 ATOM 1916 CZ TYR 115 -0.081 -38.904 1.689 1.00 52.41 ATOM 1917 OH TYR 115 -0.562 -38.104 0.678 1.00 30.22 ATOM 1918 HH TYR 115 0.175 -37.663 0.240 1.00 40.14 ATOM 1919 C TYR 115 1.062 -42.681 6.974 1.00 73.12 ATOM 1920 O TYR 115 0.719 -43.859 7.060 1.00 65.34 ATOM 1921 N LEU 116 1.993 -42.150 7.767 1.00 10.14 ATOM 1922 HN LEU 116 2.071 -41.175 7.823 1.00 37.92 ATOM 1923 CA LEU 116 2.902 -42.990 8.566 1.00 44.30 ATOM 1924 HA LEU 116 2.932 -43.968 8.107 1.00 13.34 ATOM 1925 CB LEU 116 4.314 -42.392 8.509 1.00 1.32 ATOM 1926 HB1 LEU 116 4.978 -43.030 9.077 1.00 37.92 ATOM 1927 HB2 LEU 116 4.289 -41.418 8.979 1.00 64.22 ATOM 1928 CG LEU 116 4.894 -42.234 7.092 1.00 73.31 ATOM 1929 HG LEU 116 4.199 -41.664 6.490 1.00 41.02 ATOM 1930 CD1 LEU 116 6.214 -41.476 7.122 1.00 72.13 ATOM 1931 HD11 LEU 116 6.057 -40.494 7.544 1.00 14.30 ATOM 1932 HD12 LEU 116 6.596 -41.376 6.116 1.00 42.24 ATOM 1933 HD13 LEU 116 6.929 -42.018 7.725 1.00 14.30 ATOM 1934 CD2 LEU 116 5.080 -43.596 6.430 1.00 42.52 ATOM 1935 HD21 LEU 116 4.130 -44.109 6.384 1.00 25.34 ATOM 1936 HD22 LEU 116 5.781 -44.186 7.004 1.00 75.51 ATOM 1937 HD23 LEU 116 5.461 -43.461 5.428 1.00 21.03 ATOM 1938 C LEU 116 2.463 -43.159 10.032 1.00 51.41 ATOM 1939 O LEU 116 2.827 -44.143 10.678 1.00 3.22 ATOM 1940 N TYR 117 1.676 -42.219 10.557 1.00 2.10 ATOM 1941 HN TYR 117 1.337 -41.502 9.980 1.00 37.92 ATOM 1942 CA TYR 117 1.293 -42.250 11.982 1.00 20.25 ATOM 1943 HA TYR 117 2.214 -42.276 12.551 1.00 72.21 ATOM 1944 CB TYR 117 0.522 -40.984 12.384 1.00 64.43 ATOM 1945 HB1 TYR 117 -0.365 -40.900 11.772 1.00 37.92 ATOM 1946 HB2 TYR 117 1.150 -40.119 12.217 1.00 23.11 ATOM 1947 CG TYR 117 0.090 -40.974 13.844 1.00 64.31 ATOM 1948 CD1 TYR 117 -1.256 -41.024 14.198 1.00 54.32 ATOM 1949 HD1 TYR 117 -2.003 -41.057 13.418 1.00 61.34 ATOM 1950 CD2 TYR 117 1.034 -40.931 14.867 1.00 40.13 ATOM 1951 HD2 TYR 117 2.083 -40.890 14.613 1.00 54.10 ATOM 1952 CE1 TYR 117 -1.646 -41.030 15.524 1.00 22.12 ATOM 1953 HE1 TYR 117 -2.696 -41.070 15.777 1.00 13.20 ATOM 1954 CE2 TYR 117 0.648 -40.935 16.194 1.00 12.44 ATOM 1955 HE2 TYR 117 1.396 -40.899 16.972 1.00 30.24 ATOM 1956 CZ TYR 117 -0.691 -40.985 16.517 1.00 53.43 ATOM 1957 OH TYR 117 -1.077 -40.997 17.838 1.00 51.53 ATOM 1958 HH TYR 117 -0.503 -40.415 18.343 1.00 70.12 ATOM 1959 C TYR 117 0.482 -43.512 12.345 1.00 53.22 ATOM 1960 O TYR 117 0.772 -44.159 13.356 1.00 1.22 ATOM 1961 N PRO 118 -0.548 -43.893 11.549 1.00 60.23 ATOM 1962 CA PRO 118 -1.288 -45.145 11.788 1.00 51.41 ATOM 1963 HA PRO 118 -1.861 -45.095 12.705 1.00 64.31 ATOM 1964 CB PRO 118 -2.239 -45.238 10.584 1.00 3.24 ATOM 1965 HB1 PRO 118 -3.183 -45.662 10.896 1.00 37.92 ATOM 1966 HB2 PRO 118 -1.797 -45.858 9.815 1.00 54.42 ATOM 1967 CG PRO 118 -2.402 -43.829 10.120 1.00 11.21 ATOM 1968 HG1 PRO 118 -3.187 -43.344 10.682 1.00 37.92 ATOM 1969 HG2 PRO 118 -2.633 -43.812 9.063 1.00 24.30 ATOM 1970 CD PRO 118 -1.081 -43.155 10.381 1.00 30.02 ATOM 1971 HD1 PRO 118 -1.227 -42.110 10.616 1.00 37.92 ATOM 1972 HD2 PRO 118 -0.426 -43.263 9.527 1.00 22.23 ATOM 1973 C PRO 118 -0.350 -46.366 11.842 1.00 64.30 ATOM 1974 O PRO 118 -0.564 -47.299 12.617 1.00 64.14 ATOM 1975 N TYR 119 0.705 -46.332 11.026 1.00 73.21 ATOM 1976 HN TYR 119 0.837 -45.548 10.454 1.00 37.92 ATOM 1977 CA TYR 119 1.678 -47.425 10.966 1.00 11.42 ATOM 1978 HA TYR 119 1.129 -48.356 10.922 1.00 13.14 ATOM 1979 CB TYR 119 2.530 -47.289 9.694 1.00 74.40 ATOM 1980 HB1 TYR 119 3.219 -46.464 9.818 1.00 37.92 ATOM 1981 HB2 TYR 119 1.877 -47.076 8.858 1.00 23.41 ATOM 1982 CG TYR 119 3.340 -48.528 9.344 1.00 20.02 ATOM 1983 CD1 TYR 119 4.662 -48.667 9.753 1.00 60.13 ATOM 1984 HD1 TYR 119 5.118 -47.879 10.335 1.00 42.45 ATOM 1985 CD2 TYR 119 2.776 -49.559 8.595 1.00 63.24 ATOM 1986 HD2 TYR 119 1.749 -49.470 8.270 1.00 70.43 ATOM 1987 CE1 TYR 119 5.397 -49.793 9.426 1.00 50.51 ATOM 1988 HE1 TYR 119 6.424 -49.881 9.753 1.00 71.43 ATOM 1989 CE2 TYR 119 3.505 -50.687 8.266 1.00 51.43 ATOM 1990 HE2 TYR 119 3.047 -51.475 7.683 1.00 24.23 ATOM 1991 CZ TYR 119 4.815 -50.799 8.683 1.00 34.22 ATOM 1992 OH TYR 119 5.541 -51.923 8.359 1.00 43.32 ATOM 1993 HH TYR 119 6.171 -52.115 9.066 1.00 50.23 ATOM 1994 C TYR 119 2.572 -47.433 12.221 1.00 72.42 ATOM 1995 O TYR 119 2.843 -48.492 12.795 1.00 4.24 ATOM 1996 N GLU 120 3.016 -46.242 12.646 1.00 4.12 ATOM 1997 HN GLU 120 2.797 -45.441 12.124 1.00 37.92 ATOM 1998 CA GLU 120 3.830 -46.099 13.863 1.00 42.22 ATOM 1999 HA GLU 120 4.730 -46.684 13.731 1.00 31.10 ATOM 2000 CB GLU 120 4.219 -44.627 14.099 1.00 43.21 ATOM 2001 HB1 GLU 120 3.319 -44.047 14.248 1.00 37.92 ATOM 2002 HB2 GLU 120 4.734 -44.255 13.222 1.00 74.32 ATOM 2003 CG GLU 120 5.131 -44.426 15.314 1.00 41.22 ATOM 2004 HG1 GLU 120 6.126 -44.763 15.056 1.00 37.92 ATOM 2005 HG2 GLU 120 4.756 -45.026 16.132 1.00 25.23 ATOM 2006 CD GLU 120 5.215 -42.975 15.776 1.00 72.31 ATOM 2007 OE1 GLU 120 4.889 -42.699 16.952 1.00 50.21 ATOM 2008 OE2 GLU 120 5.608 -42.110 14.969 1.00 43.24 ATOM 2009 C GLU 120 3.074 -46.616 15.095 1.00 31.34 ATOM 2010 O GLU 120 3.568 -47.470 15.828 1.00 12.33 ATOM 2011 N CYS 121 1.871 -46.087 15.311 1.00 32.14 ATOM 2012 HN CYS 121 1.532 -45.412 14.683 1.00 37.92 ATOM 2013 CA CYS 121 1.042 -46.473 16.463 1.00 73.45 ATOM 2014 HA CYS 121 1.610 -46.264 17.358 1.00 53.40 ATOM 2015 CB CYS 121 -0.246 -45.639 16.497 1.00 61.52 ATOM 2016 HB1 CYS 121 -0.822 -45.841 15.606 1.00 37.92 ATOM 2017 HB2 CYS 121 0.012 -44.591 16.520 1.00 0.31 ATOM 2018 SG CYS 121 -1.308 -45.970 17.926 1.00 60.14 ATOM 2019 HG CYS 121 -2.446 -45.312 17.747 1.00 74.24 ATOM 2020 C CYS 121 0.693 -47.970 16.444 1.00 53.21 ATOM 2021 O CYS 121 0.504 -48.587 17.494 1.00 2.41 ATOM 2022 N GLU 122 0.600 -48.550 15.250 1.00 40.41 ATOM 2023 HN GLU 122 0.711 -48.001 14.442 1.00 37.92 ATOM 2024 CA GLU 122 0.313 -49.982 15.109 1.00 63.43 ATOM 2025 HA GLU 122 -0.471 -50.229 15.810 1.00 24.41 ATOM 2026 CB GLU 122 -0.189 -50.279 13.688 1.00 45.41 ATOM 2027 HB1 GLU 122 0.561 -49.954 12.980 1.00 37.92 ATOM 2028 HB2 GLU 122 -1.095 -49.715 13.518 1.00 73.31 ATOM 2029 CG GLU 122 -0.487 -51.753 13.424 1.00 41.44 ATOM 2030 HG1 GLU 122 0.428 -52.320 13.548 1.00 37.92 ATOM 2031 HG2 GLU 122 -0.833 -51.858 12.404 1.00 64.44 ATOM 2032 CD GLU 122 -1.549 -52.321 14.356 1.00 21.22 ATOM 2033 OE1 GLU 122 -1.191 -53.066 15.293 1.00 51.44 ATOM 2034 OE2 GLU 122 -2.744 -52.029 14.151 1.00 13.51 ATOM 2035 C GLU 122 1.545 -50.853 15.427 1.00 55.22 ATOM 2036 O GLU 122 1.552 -51.604 16.406 1.00 62.41 ATOM 2037 N LYS 123 2.586 -50.742 14.601 1.00 35.53 ATOM 2038 HN LYS 123 2.562 -50.057 13.899 1.00 37.92 ATOM 2039 CA LYS 123 3.773 -51.606 14.718 1.00 53.04 ATOM 2040 HA LYS 123 3.431 -52.628 14.804 1.00 21.13 ATOM 2041 CB LYS 123 4.643 -51.481 13.458 1.00 11.42 ATOM 2042 HB1 LYS 123 5.439 -52.211 13.513 1.00 37.92 ATOM 2043 HB2 LYS 123 5.080 -50.492 13.434 1.00 14.55 ATOM 2044 CG LYS 123 3.888 -51.696 12.145 1.00 53.45 ATOM 2045 HG1 LYS 123 4.576 -51.543 11.324 1.00 37.92 ATOM 2046 HG2 LYS 123 3.089 -50.972 12.079 1.00 34.10 ATOM 2047 CD LYS 123 3.288 -53.099 12.029 1.00 30.53 ATOM 2048 HD1 LYS 123 2.547 -53.231 12.807 1.00 37.92 ATOM 2049 HD2 LYS 123 4.074 -53.831 12.152 1.00 35.11 ATOM 2050 CE LYS 123 2.624 -53.310 10.669 1.00 41.33 ATOM 2051 HE1 LYS 123 3.368 -53.177 9.895 1.00 37.92 ATOM 2052 HE2 LYS 123 1.846 -52.571 10.545 1.00 54.14 ATOM 2053 NZ LYS 123 2.023 -54.662 10.533 1.00 11.32 ATOM 2054 HZ1 LYS 123 2.732 -55.395 10.736 1.00 74.13 ATOM 2055 HZ2 LYS 123 1.674 -54.799 9.564 1.00 44.25 ATOM 2056 HZ3 LYS 123 1.227 -54.772 11.193 1.00 41.04 ATOM 2057 C LYS 123 4.613 -51.262 15.964 1.00 22.14 ATOM 2058 O LYS 123 5.219 -52.139 16.586 1.00 11.42 ATOM 2059 N ARG 124 4.648 -49.980 16.317 1.00 75.51 ATOM 2060 HN ARG 124 4.140 -49.330 15.787 1.00 37.92 ATOM 2061 CA ARG 124 5.411 -49.504 17.480 1.00 34.41 ATOM 2062 HA ARG 124 5.997 -50.330 17.857 1.00 24.13 ATOM 2063 CB ARG 124 6.361 -48.368 17.062 1.00 62.21 ATOM 2064 HB1 ARG 124 6.718 -47.868 17.954 1.00 37.92 ATOM 2065 HB2 ARG 124 5.808 -47.656 16.466 1.00 30.32 ATOM 2066 CG ARG 124 7.576 -48.818 16.255 1.00 45.43 ATOM 2067 HG1 ARG 124 8.140 -47.946 15.953 1.00 37.92 ATOM 2068 HG2 ARG 124 7.237 -49.348 15.377 1.00 11.32 ATOM 2069 CD ARG 124 8.482 -49.736 17.068 1.00 42.41 ATOM 2070 HD1 ARG 124 8.012 -50.706 17.143 1.00 37.92 ATOM 2071 HD2 ARG 124 8.599 -49.319 18.058 1.00 42.21 ATOM 2072 NE ARG 124 9.804 -49.893 16.466 1.00 12.24 ATOM 2073 HE ARG 124 10.028 -49.319 15.707 1.00 14.14 ATOM 2074 CZ ARG 124 10.709 -50.726 16.902 1.00 22.42 ATOM 2075 NH1 ARG 124 10.447 -51.524 17.885 1.00 13.15 ATOM 2076 HH11 ARG 124 9.547 -51.503 18.318 1.00 51.35 ATOM 2077 HH12 ARG 124 11.141 -52.165 18.203 1.00 31.14 ATOM 2078 NH2 ARG 124 11.878 -50.760 16.349 1.00 70.42 ATOM 2079 HH21 ARG 124 12.087 -50.149 15.587 1.00 70.55 ATOM 2080 HH22 ARG 124 12.575 -51.383 16.695 1.00 52.31 ATOM 2081 C ARG 124 4.487 -49.003 18.604 1.00 72.25 ATOM 2082 O ARG 124 3.262 -49.078 18.508 1.00 71.01 ATOM 2083 N GLY 125 5.101 -48.510 19.679 1.00 13.15 ATOM 2084 HN GLY 125 6.073 -48.597 19.748 1.00 37.92 ATOM 2085 CA GLY 125 4.359 -47.867 20.764 1.00 4.52 ATOM 2086 HA1 GLY 125 4.271 -48.559 21.587 1.00 37.92 ATOM 2087 HA2 GLY 125 3.370 -47.607 20.414 1.00 73.01 ATOM 2088 C GLY 125 5.060 -46.602 21.252 1.00 61.41 ATOM 2089 O GLY 125 5.236 -46.392 22.457 1.00 12.33 ATOM 2090 N LEU 126 5.460 -45.755 20.303 1.00 72.33 ATOM 2091 HN LEU 126 5.198 -45.929 19.376 1.00 37.92 ATOM 2092 CA LEU 126 6.266 -44.564 20.603 1.00 43.10 ATOM 2093 HA LEU 126 6.989 -44.836 21.360 1.00 13.10 ATOM 2094 CB LEU 126 7.022 -44.117 19.343 1.00 41.11 ATOM 2095 HB1 LEU 126 7.627 -43.258 19.599 1.00 37.92 ATOM 2096 HB2 LEU 126 6.294 -43.813 18.602 1.00 44.31 ATOM 2097 CG LEU 126 7.939 -45.181 18.711 1.00 32.11 ATOM 2098 HG LEU 126 7.338 -46.033 18.419 1.00 51.01 ATOM 2099 CD1 LEU 126 8.612 -44.636 17.453 1.00 11.12 ATOM 2100 HD11 LEU 126 9.202 -43.766 17.704 1.00 2.42 ATOM 2101 HD12 LEU 126 7.857 -44.362 16.730 1.00 62.51 ATOM 2102 HD13 LEU 126 9.254 -45.396 17.029 1.00 21.31 ATOM 2103 CD2 LEU 126 8.980 -45.667 19.719 1.00 52.11 ATOM 2104 HD21 LEU 126 9.635 -46.384 19.246 1.00 20.03 ATOM 2105 HD22 LEU 126 8.481 -46.136 20.555 1.00 42.20 ATOM 2106 HD23 LEU 126 9.563 -44.827 20.073 1.00 43.54 ATOM 2107 C LEU 126 5.409 -43.406 21.140 1.00 13.13 ATOM 2108 O LEU 126 5.591 -42.963 22.275 1.00 35.23 ATOM 2109 N SER 127 4.475 -42.920 20.324 1.00 44.12 ATOM 2110 HN SER 127 4.354 -43.322 19.438 1.00 37.92 ATOM 2111 CA SER 127 3.620 -41.791 20.723 1.00 1.13 ATOM 2112 HA SER 127 4.028 -41.373 21.633 1.00 61.32 ATOM 2113 CB SER 127 3.625 -40.702 19.642 1.00 34.00 ATOM 2114 HB1 SER 127 4.643 -40.420 19.424 1.00 37.92 ATOM 2115 HB2 SER 127 3.088 -39.839 20.005 1.00 34.45 ATOM 2116 OG SER 127 3.006 -41.143 18.445 1.00 4.34 ATOM 2117 HG SER 127 3.655 -41.602 17.895 1.00 43.42 ATOM 2118 C SER 127 2.177 -42.232 21.000 1.00 2.13 ATOM 2119 O SER 127 1.833 -43.410 20.877 1.00 1.22 ATOM 2120 N ASN 128 1.337 -41.269 21.388 1.00 50.44 ATOM 2121 HN ASN 128 1.677 -40.353 21.465 1.00 37.92 ATOM 2122 CA ASN 128 -0.074 -41.536 21.697 1.00 40.40 ATOM 2123 HA ASN 128 -0.330 -42.510 21.305 1.00 74.14 ATOM 2124 CB ASN 128 -0.298 -41.531 23.213 1.00 60.03 ATOM 2125 HB1 ASN 128 -1.323 -41.805 23.420 1.00 37.92 ATOM 2126 HB2 ASN 128 -0.118 -40.536 23.596 1.00 33.53 ATOM 2127 CG ASN 128 0.612 -42.497 23.941 1.00 63.31 ATOM 2128 OD1 ASN 128 0.288 -43.666 24.113 1.00 21.44 ATOM 2129 ND2 ASN 128 1.749 -42.010 24.385 1.00 34.15 ATOM 2130 HD21 ASN 128 1.944 -41.069 24.222 1.00 53.12 ATOM 2131 HD22 ASN 128 2.351 -42.606 24.864 1.00 42.30 ATOM 2132 C ASN 128 -0.994 -40.484 21.058 1.00 13.40 ATOM 2133 O ASN 128 -0.592 -39.334 20.865 1.00 60.02 ATOM 2134 N PRO 129 -2.253 -40.852 20.741 1.00 20.45 ATOM 2135 CA PRO 129 -3.239 -39.901 20.194 1.00 63.32 ATOM 2136 HA PRO 129 -2.881 -39.456 19.274 1.00 5.30 ATOM 2137 CB PRO 129 -4.466 -40.783 19.897 1.00 73.31 ATOM 2138 HB1 PRO 129 -4.475 -41.051 18.849 1.00 37.92 ATOM 2139 HB2 PRO 129 -5.373 -40.245 20.141 1.00 21.44 ATOM 2140 CG PRO 129 -4.295 -41.987 20.764 1.00 60.11 ATOM 2141 HG1 PRO 129 -4.777 -42.841 20.308 1.00 37.92 ATOM 2142 HG2 PRO 129 -4.715 -41.799 21.743 1.00 14.15 ATOM 2143 CD PRO 129 -2.809 -42.215 20.864 1.00 23.44 ATOM 2144 HD1 PRO 129 -2.464 -42.845 20.056 1.00 37.92 ATOM 2145 HD2 PRO 129 -2.555 -42.653 21.820 1.00 3.30 ATOM 2146 C PRO 129 -3.591 -38.781 21.193 1.00 24.02 ATOM 2147 O PRO 129 -3.951 -37.671 20.803 1.00 50.11 ATOM 2148 N ASN 130 -3.472 -39.081 22.490 1.00 65.45 ATOM 2149 HN ASN 130 -3.184 -39.984 22.743 1.00 37.92 ATOM 2150 CA ASN 130 -3.751 -38.096 23.545 1.00 1.11 ATOM 2151 HA ASN 130 -4.701 -37.633 23.318 1.00 3.32 ATOM 2152 CB ASN 130 -3.856 -38.794 24.907 1.00 53.52 ATOM 2153 HB1 ASN 130 -3.854 -38.046 25.687 1.00 37.92 ATOM 2154 HB2 ASN 130 -3.002 -39.443 25.038 1.00 1.33 ATOM 2155 CG ASN 130 -5.119 -39.632 25.054 1.00 52.32 ATOM 2156 OD1 ASN 130 -5.604 -39.843 26.159 1.00 44.20 ATOM 2157 ND2 ASN 130 -5.671 -40.104 23.953 1.00 50.41 ATOM 2158 HD21 ASN 130 -5.255 -39.899 23.096 1.00 62.13 ATOM 2159 HD22 ASN 130 -6.480 -40.650 24.044 1.00 23.31 ATOM 2160 C ASN 130 -2.675 -37.001 23.593 1.00 10.04 ATOM 2161 O ASN 130 -2.979 -35.809 23.470 1.00 23.21 ATOM 2162 N GLU 131 -1.417 -37.406 23.774 1.00 13.21 ATOM 2163 HN GLU 131 -1.236 -38.363 23.894 1.00 37.92 ATOM 2164 CA GLU 131 -0.295 -36.460 23.810 1.00 42.10 ATOM 2165 HA GLU 131 -0.490 -35.762 24.614 1.00 21.05 ATOM 2166 CB GLU 131 1.018 -37.202 24.114 1.00 30.54 ATOM 2167 HB1 GLU 131 0.920 -37.700 25.070 1.00 37.92 ATOM 2168 HB2 GLU 131 1.820 -36.483 24.180 1.00 40.41 ATOM 2169 CG GLU 131 1.404 -38.249 23.076 1.00 2.22 ATOM 2170 HG1 GLU 131 1.507 -37.762 22.115 1.00 37.92 ATOM 2171 HG2 GLU 131 0.621 -38.991 23.016 1.00 0.04 ATOM 2172 CD GLU 131 2.709 -38.952 23.409 1.00 1.02 ATOM 2173 OE1 GLU 131 2.862 -39.411 24.555 1.00 22.32 ATOM 2174 OE2 GLU 131 3.570 -39.073 22.521 1.00 32.52 ATOM 2175 C GLU 131 -0.186 -35.663 22.493 1.00 54.41 ATOM 2176 O GLU 131 0.212 -34.497 22.492 1.00 13.44 ATOM 2177 N LEU 132 -0.551 -36.303 21.378 1.00 43.31 ATOM 2178 HN LEU 132 -0.832 -37.241 21.444 1.00 37.92 ATOM 2179 CA LEU 132 -0.533 -35.663 20.051 1.00 4.25 ATOM 2180 HA LEU 132 0.500 -35.505 19.779 1.00 21.11 ATOM 2181 CB LEU 132 -1.176 -36.600 19.015 1.00 3.12 ATOM 2182 HB1 LEU 132 -2.190 -36.805 19.330 1.00 37.92 ATOM 2183 HB2 LEU 132 -0.626 -37.531 19.020 1.00 11.14 ATOM 2184 CG LEU 132 -1.221 -36.070 17.570 1.00 55.41 ATOM 2185 HG LEU 132 -1.769 -35.139 17.557 1.00 74.34 ATOM 2186 CD1 LEU 132 0.186 -35.785 17.048 1.00 71.02 ATOM 2187 HD11 LEU 132 0.667 -35.053 17.684 1.00 71.21 ATOM 2188 HD12 LEU 132 0.126 -35.398 16.042 1.00 4.24 ATOM 2189 HD13 LEU 132 0.766 -36.697 17.048 1.00 1.21 ATOM 2190 CD2 LEU 132 -1.949 -37.054 16.655 1.00 53.25 ATOM 2191 HD21 LEU 132 -1.434 -38.004 16.662 1.00 32.03 ATOM 2192 HD22 LEU 132 -1.969 -36.663 15.649 1.00 3.11 ATOM 2193 HD23 LEU 132 -2.962 -37.191 17.006 1.00 42.44 ATOM 2194 C LEU 132 -1.252 -34.302 20.048 1.00 50.33 ATOM 2195 O LEU 132 -0.715 -33.306 19.556 1.00 21.55 ATOM 2196 N GLN 133 -2.463 -34.261 20.605 1.00 10.23 ATOM 2197 HN GLN 133 -2.837 -35.078 20.995 1.00 37.92 ATOM 2198 CA GLN 133 -3.251 -33.025 20.642 1.00 74.20 ATOM 2199 HA GLN 133 -3.380 -32.692 19.622 1.00 74.22 ATOM 2200 CB GLN 133 -4.634 -33.289 21.253 1.00 11.23 ATOM 2201 HB1 GLN 133 -4.513 -33.576 22.287 1.00 37.92 ATOM 2202 HB2 GLN 133 -5.103 -34.102 20.716 1.00 13.12 ATOM 2203 CG GLN 133 -5.559 -32.078 21.198 1.00 40.24 ATOM 2204 HG1 GLN 133 -5.080 -31.249 21.698 1.00 37.92 ATOM 2205 HG2 GLN 133 -6.480 -32.322 21.713 1.00 41.51 ATOM 2206 CD GLN 133 -5.899 -31.658 19.775 1.00 62.44 ATOM 2207 OE1 GLN 133 -6.010 -32.482 18.874 1.00 62.32 ATOM 2208 NE2 GLN 133 -6.025 -30.367 19.556 1.00 10.21 ATOM 2209 HE21 GLN 133 -5.891 -29.758 20.309 1.00 4.21 ATOM 2210 HE22 GLN 133 -6.265 -30.071 18.655 1.00 73.02 ATOM 2211 C GLN 133 -2.531 -31.917 21.431 1.00 23.32 ATOM 2212 O GLN 133 -2.515 -30.756 21.017 1.00 61.04 ATOM 2213 N ALA 134 -1.931 -32.285 22.562 1.00 73.44 ATOM 2214 HN ALA 134 -1.985 -33.222 22.844 1.00 37.92 ATOM 2215 CA ALA 134 -1.186 -31.331 23.394 1.00 4.21 ATOM 2216 HA ALA 134 -1.851 -30.513 23.637 1.00 14.53 ATOM 2217 CB ALA 134 -0.758 -31.998 24.697 1.00 34.30 ATOM 2218 HB1 ALA 134 -0.263 -31.275 25.328 1.00 43.23 ATOM 2219 HB2 ALA 134 -0.081 -32.813 24.482 1.00 2.03 ATOM 2220 HB3 ALA 134 -1.630 -32.382 25.208 1.00 71.40 ATOM 2221 C ALA 134 0.034 -30.768 22.646 1.00 24.45 ATOM 2222 O ALA 134 0.354 -29.580 22.751 1.00 10.21 ATOM 2223 N ALA 135 0.706 -31.634 21.889 1.00 70.21 ATOM 2224 HN ALA 135 0.435 -32.577 21.898 1.00 37.92 ATOM 2225 CA ALA 135 1.837 -31.231 21.047 1.00 2.00 ATOM 2226 HA ALA 135 2.614 -30.834 21.687 1.00 55.52 ATOM 2227 CB ALA 135 2.390 -32.451 20.316 1.00 13.32 ATOM 2228 HB1 ALA 135 3.289 -32.177 19.781 1.00 22.32 ATOM 2229 HB2 ALA 135 1.651 -32.818 19.613 1.00 73.41 ATOM 2230 HB3 ALA 135 2.619 -33.227 21.032 1.00 32.41 ATOM 2231 C ALA 135 1.416 -30.160 20.032 1.00 75.21 ATOM 2232 O ALA 135 2.034 -29.096 19.920 1.00 64.20 ATOM 2233 N ILE 136 0.350 -30.461 19.303 1.00 25.22 ATOM 2234 HN ILE 136 -0.100 -31.321 19.462 1.00 37.92 ATOM 2235 CA ILE 136 -0.187 -29.567 18.279 1.00 33.23 ATOM 2236 HA ILE 136 0.596 -29.379 17.557 1.00 45.14 ATOM 2237 CB ILE 136 -1.364 -30.257 17.550 1.00 10.03 ATOM 2238 HB ILE 136 -2.096 -30.545 18.293 1.00 60.12 ATOM 2239 CG1 ILE 136 -0.854 -31.523 16.840 1.00 22.15 ATOM 2240 HG11 ILE 136 -0.236 -32.086 17.526 1.00 37.92 ATOM 2241 HG12 ILE 136 -0.259 -31.234 15.987 1.00 22.15 ATOM 2242 CG2 ILE 136 -2.044 -29.305 16.563 1.00 53.10 ATOM 2243 HG21 ILE 136 -2.422 -28.442 17.096 1.00 32.51 ATOM 2244 HG22 ILE 136 -2.867 -29.812 16.080 1.00 74.20 ATOM 2245 HG23 ILE 136 -1.331 -28.983 15.817 1.00 40.01 ATOM 2246 CD1 ILE 136 -1.949 -32.442 16.347 1.00 44.02 ATOM 2247 HD11 ILE 136 -2.529 -32.792 17.189 1.00 50.23 ATOM 2248 HD12 ILE 136 -1.505 -33.285 15.843 1.00 74.14 ATOM 2249 HD13 ILE 136 -2.591 -31.908 15.662 1.00 61.41 ATOM 2250 C ILE 136 -0.645 -28.228 18.878 1.00 4.10 ATOM 2251 O ILE 136 -0.322 -27.158 18.354 1.00 50.30 ATOM 2252 N ASP 137 -1.384 -28.296 19.983 1.00 22.10 ATOM 2253 HN ASP 137 -1.606 -29.178 20.354 1.00 37.92 ATOM 2254 CA ASP 137 -1.884 -27.097 20.664 1.00 41.20 ATOM 2255 HA ASP 137 -2.516 -26.562 19.967 1.00 74.11 ATOM 2256 CB ASP 137 -2.720 -27.507 21.880 1.00 5.03 ATOM 2257 HB1 ASP 137 -2.076 -27.973 22.614 1.00 37.92 ATOM 2258 HB2 ASP 137 -3.472 -28.220 21.568 1.00 70.33 ATOM 2259 CG ASP 137 -3.417 -26.325 22.529 1.00 30.01 ATOM 2260 OD1 ASP 137 -4.519 -25.958 22.067 1.00 62.41 ATOM 2261 OD2 ASP 137 -2.871 -25.758 23.498 1.00 44.24 ATOM 2262 C ASP 137 -0.732 -26.172 21.100 1.00 44.35 ATOM 2263 O ASP 137 -0.752 -24.968 20.834 1.00 5.25 ATOM 2264 N SER 138 0.275 -26.750 21.760 1.00 34.12 ATOM 2265 HN SER 138 0.226 -27.712 21.950 1.00 37.92 ATOM 2266 CA SER 138 1.447 -25.990 22.222 1.00 14.32 ATOM 2267 HA SER 138 1.100 -25.265 22.946 1.00 63.13 ATOM 2268 CB SER 138 2.457 -26.924 22.906 1.00 21.12 ATOM 2269 HB1 SER 138 3.329 -26.357 23.203 1.00 37.92 ATOM 2270 HB2 SER 138 2.753 -27.701 22.215 1.00 12.32 ATOM 2271 OG SER 138 1.896 -27.533 24.061 1.00 52.21 ATOM 2272 HG SER 138 1.595 -28.423 23.840 1.00 2.21 ATOM 2273 C SER 138 2.127 -25.237 21.069 1.00 15.14 ATOM 2274 O SER 138 2.497 -24.071 21.210 1.00 64.23 ATOM 2275 N ASN 139 2.285 -25.908 19.926 1.00 64.22 ATOM 2276 HN ASN 139 2.015 -26.850 19.885 1.00 37.92 ATOM 2277 CA ASN 139 2.849 -25.267 18.729 1.00 41.43 ATOM 2278 HA ASN 139 3.807 -24.845 19.006 1.00 22.41 ATOM 2279 CB ASN 139 3.067 -26.298 17.609 1.00 10.22 ATOM 2280 HB1 ASN 139 3.108 -25.785 16.657 1.00 37.92 ATOM 2281 HB2 ASN 139 2.238 -26.991 17.600 1.00 21.01 ATOM 2282 CG ASN 139 4.354 -27.090 17.783 1.00 72.20 ATOM 2283 OD1 ASN 139 5.398 -26.724 17.255 1.00 71.25 ATOM 2284 ND2 ASN 139 4.300 -28.174 18.528 1.00 10.05 ATOM 2285 HD21 ASN 139 3.444 -28.417 18.931 1.00 74.25 ATOM 2286 HD22 ASN 139 5.124 -28.693 18.644 1.00 74.03 ATOM 2287 C ASN 139 1.945 -24.128 18.228 1.00 24.45 ATOM 2288 O ASN 139 2.424 -23.057 17.856 1.00 32.31 ATOM 2289 N ARG 140 0.632 -24.359 18.233 1.00 3.21 ATOM 2290 HN ARG 140 0.302 -25.233 18.537 1.00 37.92 ATOM 2291 CA ARG 140 -0.330 -23.340 17.795 1.00 22.03 ATOM 2292 HA ARG 140 -0.050 -23.042 16.794 1.00 32.34 ATOM 2293 CB ARG 140 -1.757 -23.915 17.754 1.00 4.43 ATOM 2294 HB1 ARG 140 -2.451 -23.110 17.549 1.00 37.92 ATOM 2295 HB2 ARG 140 -1.990 -24.338 18.722 1.00 4.01 ATOM 2296 CG ARG 140 -1.958 -24.999 16.699 1.00 64.13 ATOM 2297 HG1 ARG 140 -1.385 -25.872 16.981 1.00 37.92 ATOM 2298 HG2 ARG 140 -1.607 -24.632 15.747 1.00 32.13 ATOM 2299 CD ARG 140 -3.428 -25.396 16.564 1.00 13.21 ATOM 2300 HD1 ARG 140 -3.761 -25.818 17.501 1.00 37.92 ATOM 2301 HD2 ARG 140 -3.519 -26.138 15.784 1.00 44.30 ATOM 2302 NE ARG 140 -4.275 -24.246 16.236 1.00 43.15 ATOM 2303 HE ARG 140 -4.051 -23.389 16.648 1.00 40.53 ATOM 2304 CZ ARG 140 -5.310 -24.288 15.440 1.00 0.10 ATOM 2305 NH1 ARG 140 -5.650 -25.391 14.852 1.00 40.23 ATOM 2306 HH11 ARG 140 -5.121 -26.222 15.004 1.00 21.25 ATOM 2307 HH12 ARG 140 -6.443 -25.410 14.245 1.00 23.25 ATOM 2308 NH2 ARG 140 -5.996 -23.210 15.229 1.00 52.15 ATOM 2309 HH21 ARG 140 -5.728 -22.358 15.676 1.00 70.11 ATOM 2310 HH22 ARG 140 -6.787 -23.230 14.621 1.00 33.35 ATOM 2311 C ARG 140 -0.294 -22.094 18.698 1.00 34.23 ATOM 2312 O ARG 140 -0.526 -20.972 18.235 1.00 70.40 ATOM 2313 N ARG 141 0.004 -22.288 19.981 1.00 43.33 ATOM 2314 HN ARG 141 0.193 -23.198 20.298 1.00 37.92 ATOM 2315 CA ARG 141 0.044 -21.173 20.934 1.00 40.53 ATOM 2316 HA ARG 141 -0.804 -20.536 20.721 1.00 41.34 ATOM 2317 CB ARG 141 -0.083 -21.684 22.380 1.00 61.22 ATOM 2318 HB1 ARG 141 0.808 -22.242 22.635 1.00 37.92 ATOM 2319 HB2 ARG 141 -0.939 -22.341 22.445 1.00 24.50 ATOM 2320 CG ARG 141 -0.259 -20.561 23.403 1.00 1.22 ATOM 2321 HG1 ARG 141 -1.159 -20.012 23.164 1.00 37.92 ATOM 2322 HG2 ARG 141 0.591 -19.896 23.339 1.00 35.13 ATOM 2323 CD ARG 141 -0.363 -21.080 24.831 1.00 14.42 ATOM 2324 HD1 ARG 141 0.563 -21.571 25.093 1.00 37.92 ATOM 2325 HD2 ARG 141 -1.176 -21.790 24.886 1.00 73.52 ATOM 2326 NE ARG 141 -0.612 -19.996 25.779 1.00 3.24 ATOM 2327 HE ARG 141 -0.677 -19.087 25.421 1.00 44.55 ATOM 2328 CZ ARG 141 -0.769 -20.159 27.060 1.00 42.31 ATOM 2329 NH1 ARG 141 -0.673 -21.334 27.598 1.00 21.35 ATOM 2330 HH11 ARG 141 -0.478 -22.128 27.031 1.00 54.33 ATOM 2331 HH12 ARG 141 -0.787 -21.438 28.582 1.00 73.12 ATOM 2332 NH2 ARG 141 -1.023 -19.141 27.810 1.00 55.35 ATOM 2333 HH21 ARG 141 -1.101 -18.230 27.406 1.00 30.12 ATOM 2334 HH22 ARG 141 -1.152 -19.265 28.790 1.00 45.02 ATOM 2335 C ARG 141 1.327 -20.330 20.782 1.00 64.42 ATOM 2336 O ARG 141 1.435 -19.251 21.358 1.00 3.10 ATOM 2337 N GLU 142 2.293 -20.804 19.998 1.00 10.25 ATOM 2338 HN GLU 142 2.173 -21.673 19.557 1.00 37.92 ATOM 2339 CA GLU 142 3.544 -20.057 19.796 1.00 34.42 ATOM 2340 HA GLU 142 3.853 -19.682 20.763 1.00 64.01 ATOM 2341 CB GLU 142 4.650 -20.978 19.259 1.00 12.03 ATOM 2342 HB1 GLU 142 5.532 -20.384 19.063 1.00 37.92 ATOM 2343 HB2 GLU 142 4.315 -21.424 18.333 1.00 24.14 ATOM 2344 CG GLU 142 5.035 -22.100 20.220 1.00 24.42 ATOM 2345 HG1 GLU 142 4.207 -22.790 20.297 1.00 37.92 ATOM 2346 HG2 GLU 142 5.233 -21.671 21.192 1.00 40.14 ATOM 2347 CD GLU 142 6.267 -22.867 19.767 1.00 2.14 ATOM 2348 OE1 GLU 142 7.373 -22.591 20.285 1.00 53.21 ATOM 2349 OE2 GLU 142 6.143 -23.754 18.899 1.00 60.41 ATOM 2350 C GLU 142 3.357 -18.850 18.858 1.00 11.24 ATOM 2351 O GLU 142 4.259 -18.022 18.716 1.00 32.03 ATOM 2352 N GLY 143 2.191 -18.749 18.224 1.00 10.01 ATOM 2353 HN GLY 143 1.514 -19.446 18.354 1.00 37.92 ATOM 2354 CA GLY 143 1.913 -17.625 17.335 1.00 33.34 ATOM 2355 HA1 GLY 143 2.312 -17.850 16.356 1.00 37.92 ATOM 2356 HA2 GLY 143 2.411 -16.744 17.717 1.00 40.50 ATOM 2357 C GLY 143 0.423 -17.326 17.202 1.00 65.42 ATOM 2358 O GLY 143 -0.277 -17.952 16.402 1.00 41.32 ATOM 2359 N ARG 144 -0.070 -16.372 17.990 1.00 60.45 ATOM 2360 HN ARG 144 0.534 -15.907 18.611 1.00 37.92 ATOM 2361 CA ARG 144 -1.486 -15.978 17.944 1.00 72.53 ATOM 2362 HA ARG 144 -2.042 -16.771 17.464 1.00 74.05 ATOM 2363 CB ARG 144 -2.048 -15.758 19.363 1.00 10.41 ATOM 2364 HB1 ARG 144 -3.096 -15.504 19.279 1.00 37.92 ATOM 2365 HB2 ARG 144 -1.528 -14.924 19.813 1.00 74.42 ATOM 2366 CG ARG 144 -1.925 -16.955 20.306 1.00 2.15 ATOM 2367 HG1 ARG 144 -2.182 -17.854 19.763 1.00 37.92 ATOM 2368 HG2 ARG 144 -2.616 -16.823 21.127 1.00 23.12 ATOM 2369 CD ARG 144 -0.515 -17.103 20.870 1.00 41.13 ATOM 2370 HD1 ARG 144 0.164 -17.313 20.057 1.00 37.92 ATOM 2371 HD2 ARG 144 -0.506 -17.928 21.567 1.00 42.44 ATOM 2372 NE ARG 144 -0.067 -15.893 21.562 1.00 33.12 ATOM 2373 HE ARG 144 -0.644 -15.105 21.513 1.00 14.34 ATOM 2374 CZ ARG 144 1.053 -15.794 22.227 1.00 50.30 ATOM 2375 NH1 ARG 144 1.840 -16.811 22.352 1.00 13.22 ATOM 2376 HH11 ARG 144 1.600 -17.682 21.938 1.00 34.33 ATOM 2377 HH12 ARG 144 2.687 -16.722 22.878 1.00 32.31 ATOM 2378 NH2 ARG 144 1.376 -14.671 22.781 1.00 50.21 ATOM 2379 HH21 ARG 144 0.769 -13.883 22.701 1.00 1.43 ATOM 2380 HH22 ARG 144 2.241 -14.591 23.276 1.00 23.41 ATOM 2381 C ARG 144 -1.665 -14.687 17.132 1.00 54.04 ATOM 2382 O ARG 144 -0.724 -14.190 16.513 1.00 61.51 ATOM 2383 N ARG 145 -2.883 -14.154 17.129 1.00 34.13 ATOM 2384 HN ARG 145 -3.624 -14.655 17.536 1.00 37.92 ATOM 2385 HA ARG 145 -2.280 -12.547 15.965 1.00 43.34 ATOM 2386 CB ARG 145 -4.359 -12.915 15.586 1.00 73.22 ATOM 2387 HB1 ARG 145 -4.660 -11.909 15.327 1.00 37.92 ATOM 2388 HB2 ARG 145 -5.175 -13.404 16.098 1.00 2.14 ATOM 2389 CG ARG 145 -4.078 -13.676 14.293 1.00 72.04 ATOM 2390 HG1 ARG 145 -3.774 -14.685 14.538 1.00 37.92 ATOM 2391 HG2 ARG 145 -3.279 -13.180 13.760 1.00 3.15 ATOM 2392 CD ARG 145 -5.305 -13.734 13.391 1.00 43.22 ATOM 2393 HD1 ARG 145 -5.693 -12.733 13.266 1.00 37.92 ATOM 2394 HD2 ARG 145 -6.057 -14.352 13.865 1.00 72.01 ATOM 2395 NE ARG 145 -4.991 -14.287 12.073 1.00 23.32 ATOM 2396 HE ARG 145 -4.137 -14.031 11.667 1.00 31.14 ATOM 2397 CZ ARG 145 -5.790 -15.066 11.395 1.00 43.44 ATOM 2398 NH1 ARG 145 -6.900 -15.481 11.916 1.00 0.12 ATOM 2399 HH11 ARG 145 -7.150 -15.207 12.841 1.00 51.30 ATOM 2400 HH12 ARG 145 -7.501 -16.080 11.393 1.00 71.22 ATOM 2401 NH2 ARG 145 -5.471 -15.442 10.202 1.00 12.54 ATOM 2402 HH21 ARG 145 -4.611 -15.137 9.796 1.00 10.33 ATOM 2403 HH22 ARG 145 -6.087 -16.034 9.684 1.00 43.22 ATOM 2404 CA ARG 145 -3.154 -12.839 16.535 1.00 65.22 ATOM 2405 C ARG 145 -3.396 -11.787 17.633 1.00 61.33 ATOM 2406 OT1 ARG 145 -2.438 -11.066 17.992 1.00 37.92 ATOM 2407 OT2 ARG 145 -4.532 -11.704 18.153 1.00 37.92 ATOM 2408 OH2 TIP3 1 -3.786 -58.034 2.702 1.00 0.00 WAT1 ATOM 2409 H1 TIP3 1 -4.465 -58.725 2.542 1.00 0.00 WAT1 ATOM 2410 H2 TIP3 1 -3.091 -58.222 2.035 1.00 0.00 WAT1 ATOM 2411 OH2 TIP3 2 -6.212 -54.618 -3.605 1.00 0.00 WAT1 ATOM 2412 H1 TIP3 2 -5.761 -53.768 -3.378 1.00 0.00 WAT1 ATOM 2413 H2 TIP3 2 -5.986 -54.765 -4.530 1.00 0.00 WAT1 ATOM 2414 OH2 TIP3 3 -11.123 -57.331 2.441 1.00 0.00 WAT1 ATOM 2415 H1 TIP3 3 -11.915 -56.782 2.572 1.00 0.00 WAT1 ATOM 2416 H2 TIP3 3 -10.382 -56.704 2.531 1.00 0.00 WAT1 ATOM 2417 OH2 TIP3 4 -8.201 -50.414 -3.573 1.00 0.00 WAT1 ATOM 2418 H1 TIP3 4 -7.326 -50.291 -4.000 1.00 0.00 WAT1 ATOM 2419 H2 TIP3 4 -8.676 -49.575 -3.765 1.00 0.00 WAT1 ATOM 2420 OH2 TIP3 5 -5.441 -52.090 -3.098 1.00 0.00 WAT1 ATOM 2421 H1 TIP3 5 -5.389 -51.383 -3.774 1.00 0.00 WAT1 ATOM 2422 H2 TIP3 5 -5.918 -51.681 -2.367 1.00 0.00 WAT1 ATOM 2423 OH2 TIP3 6 -0.355 -61.326 -2.537 1.00 0.00 WAT1 ATOM 2424 H1 TIP3 6 0.152 -61.577 -3.312 1.00 0.00 WAT1 ATOM 2425 H2 TIP3 6 0.313 -60.923 -1.931 1.00 0.00 WAT1 ATOM 2426 OH2 TIP3 7 -7.666 -61.098 3.589 1.00 0.00 WAT1 ATOM 2427 H1 TIP3 7 -8.488 -60.601 3.766 1.00 0.00 WAT1 ATOM 2428 H2 TIP3 7 -7.270 -61.234 4.472 1.00 0.00 WAT1 ATOM 2429 OH2 TIP3 8 -8.176 -54.386 0.173 1.00 0.00 WAT1 ATOM 2430 H1 TIP3 8 -8.073 -53.861 -0.654 1.00 0.00 WAT1 ATOM 2431 H2 TIP3 8 -9.061 -54.760 0.105 1.00 0.00 WAT1 ATOM 2432 OH2 TIP3 9 -13.000 -55.496 3.469 1.00 0.00 WAT1 ATOM 2433 H1 TIP3 9 -13.962 -55.520 3.475 1.00 0.00 WAT1 ATOM 2434 H2 TIP3 9 -12.745 -55.880 4.341 1.00 0.00 WAT1 ATOM 2435 OH2 TIP3 10 -8.111 -53.056 -2.210 1.00 0.00 WAT1 ATOM 2436 H1 TIP3 10 -7.548 -53.683 -2.710 1.00 0.00 WAT1 ATOM 2437 H2 TIP3 10 -8.220 -52.299 -2.816 1.00 0.00 WAT1 ATOM 2438 OH2 TIP3 11 -13.509 -54.591 7.436 1.00 0.00 WAT1 ATOM 2439 H1 TIP3 11 -13.467 -53.607 7.478 1.00 0.00 WAT1 ATOM 2440 H2 TIP3 11 -14.221 -54.819 8.038 1.00 0.00 WAT1 ATOM 2441 OH2 TIP3 12 -11.101 -53.438 3.344 1.00 0.00 WAT1 ATOM 2442 H1 TIP3 12 -11.486 -52.595 3.643 1.00 0.00 WAT1 ATOM 2443 H2 TIP3 12 -11.854 -54.062 3.351 1.00 0.00 WAT1 ATOM 2444 OH2 TIP3 13 -9.980 -47.522 -6.705 1.00 0.00 WAT1 ATOM 2445 H1 TIP3 13 -10.537 -47.779 -7.443 1.00 0.00 WAT1 ATOM 2446 H2 TIP3 13 -9.268 -46.985 -7.113 1.00 0.00 WAT1 ATOM 2447 OH2 TIP3 14 -9.184 -47.817 -4.086 1.00 0.00 WAT1 ATOM 2448 H1 TIP3 14 -9.561 -47.771 -4.993 1.00 0.00 WAT1 ATOM 2449 H2 TIP3 14 -8.375 -47.267 -4.134 1.00 0.00 WAT1 ATOM 2450 OH2 TIP3 15 -5.159 -60.529 -0.362 1.00 0.00 WAT1 ATOM 2451 H1 TIP3 15 -5.557 -60.464 -1.240 1.00 0.00 WAT1 ATOM 2452 H2 TIP3 15 -4.198 -60.588 -0.543 1.00 0.00 WAT1 ATOM 2453 OH2 TIP3 16 -5.684 -58.215 5.764 1.00 0.00 WAT1 ATOM 2454 H1 TIP3 16 -6.221 -57.749 6.442 1.00 0.00 WAT1 ATOM 2455 H2 TIP3 16 -6.222 -58.148 4.948 1.00 0.00 WAT1 ATOM 2456 OH2 TIP3 17 -9.696 -59.184 3.912 1.00 0.00 WAT1 ATOM 2457 H1 TIP3 17 -10.236 -58.714 3.239 1.00 0.00 WAT1 ATOM 2458 H2 TIP3 17 -10.321 -59.327 4.656 1.00 0.00 WAT1 ATOM 2459 OH2 TIP3 18 -9.236 -55.461 3.134 1.00 0.00 WAT1 ATOM 2460 H1 TIP3 18 -9.266 -55.742 4.076 1.00 0.00 WAT1 ATOM 2461 H2 TIP3 18 -9.771 -54.635 3.116 1.00 0.00 WAT1 ATOM 2462 OH2 TIP3 19 -4.703 -56.630 0.001 1.00 0.00 WAT1 ATOM 2463 H1 TIP3 19 -4.312 -57.444 0.359 1.00 0.00 WAT1 ATOM 2464 H2 TIP3 19 -3.930 -56.150 -0.388 1.00 0.00 WAT1 ATOM 2465 OH2 TIP3 20 -14.216 -50.822 2.983 1.00 0.00 WAT1 ATOM 2466 H1 TIP3 20 -14.183 -51.610 2.436 1.00 0.00 WAT1 ATOM 2467 H2 TIP3 20 -13.370 -50.839 3.479 1.00 0.00 WAT1 ATOM 2468 OH2 TIP3 21 -0.057 -50.111 -8.507 1.00 0.00 WAT1 ATOM 2469 H1 TIP3 21 -0.059 -50.059 -9.486 1.00 0.00 WAT1 ATOM 2470 H2 TIP3 21 -0.811 -49.544 -8.238 1.00 0.00 WAT1 ATOM 2471 OH2 TIP3 22 -5.636 -57.183 -2.614 1.00 0.00 WAT1 ATOM 2472 H1 TIP3 22 -5.911 -56.312 -2.960 1.00 0.00 WAT1 ATOM 2473 H2 TIP3 22 -5.375 -57.001 -1.693 1.00 0.00 WAT1 ATOM 2474 OH2 TIP3 23 -11.915 -50.860 4.424 1.00 0.00 WAT1 ATOM 2475 H1 TIP3 23 -11.005 -50.936 4.764 1.00 0.00 WAT1 ATOM 2476 H2 TIP3 23 -12.243 -50.027 4.828 1.00 0.00 WAT1 ATOM 2477 OH2 TIP3 24 -12.204 -56.439 5.883 1.00 0.00 WAT1 ATOM 2478 H1 TIP3 24 -12.613 -55.778 6.494 1.00 0.00 WAT1 ATOM 2479 H2 TIP3 24 -11.243 -56.240 5.922 1.00 0.00 WAT1 ATOM 2480 OH2 TIP3 25 -7.240 -56.795 7.487 1.00 0.00 WAT1 ATOM 2481 H1 TIP3 25 -6.921 -55.877 7.568 1.00 0.00 WAT1 ATOM 2482 H2 TIP3 25 -7.267 -57.117 8.399 1.00 0.00 WAT1 ATOM 2483 OH2 TIP3 26 -11.828 -59.172 5.620 1.00 0.00 WAT1 ATOM 2484 H1 TIP3 26 -12.658 -59.482 5.251 1.00 0.00 WAT1 ATOM 2485 H2 TIP3 26 -11.977 -58.216 5.779 1.00 0.00 WAT1 ATOM 2486 OH2 TIP3 27 -7.302 -57.915 3.551 1.00 0.00 WAT1 ATOM 2487 H1 TIP3 27 -6.830 -58.580 2.998 1.00 0.00 WAT1 ATOM 2488 H2 TIP3 27 -8.182 -58.327 3.722 1.00 0.00 WAT1 ATOM 2489 OH2 TIP3 28 -3.324 -56.907 5.178 1.00 0.00 WAT1 ATOM 2490 H1 TIP3 28 -4.070 -57.434 5.538 1.00 0.00 WAT1 ATOM 2491 H2 TIP3 28 -3.260 -57.201 4.242 1.00 0.00 WAT1 ATOM 2492 OH2 TIP3 29 -5.887 -59.726 2.109 1.00 0.00 WAT1 ATOM 2493 H1 TIP3 29 -5.653 -60.098 1.223 1.00 0.00 WAT1 ATOM 2494 H2 TIP3 29 -6.482 -60.408 2.506 1.00 0.00 WAT1 ATOM 2495 OH2 TIP3 30 -4.568 -59.622 -3.262 1.00 0.00 WAT1 ATOM 2496 H1 TIP3 30 -4.607 -59.676 -4.221 1.00 0.00 WAT1 ATOM 2497 H2 TIP3 30 -4.968 -58.745 -3.054 1.00 0.00 WAT1 ATOM 2498 OH2 TIP3 31 -5.691 -49.779 -4.636 1.00 0.00 WAT1 ATOM 2499 H1 TIP3 31 -5.743 -49.179 -5.405 1.00 0.00 WAT1 ATOM 2500 H2 TIP3 31 -4.950 -49.412 -4.098 1.00 0.00 WAT1 ATOM 2501 OH2 TIP3 32 -11.756 -45.063 2.334 1.00 0.00 WAT1 ATOM 2502 H1 TIP3 32 -11.187 -45.705 1.856 1.00 0.00 WAT1 ATOM 2503 H2 TIP3 32 -12.247 -45.615 2.982 1.00 0.00 WAT1 ATOM 2504 OH2 TIP3 33 -9.404 -50.265 -1.107 1.00 0.00 WAT1 ATOM 2505 H1 TIP3 33 -9.056 -50.355 -2.017 1.00 0.00 WAT1 ATOM 2506 H2 TIP3 33 -9.526 -51.170 -0.810 1.00 0.00 WAT1 ATOM 2507 OH2 TIP3 34 -3.790 -48.789 -2.956 1.00 0.00 WAT1 ATOM 2508 H1 TIP3 34 -4.319 -48.216 -2.359 1.00 0.00 WAT1 ATOM 2509 H2 TIP3 34 -3.074 -49.111 -2.401 1.00 0.00 WAT1 ATOM 2510 OH2 TIP3 35 -6.344 -52.830 15.931 1.00 0.00 WAT1 ATOM 2511 H1 TIP3 35 -5.637 -52.166 16.067 1.00 0.00 WAT1 ATOM 2512 H2 TIP3 35 -7.154 -52.390 16.274 1.00 0.00 WAT1 ATOM 2513 OH2 TIP3 36 -5.106 -51.397 12.814 1.00 0.00 WAT1 ATOM 2514 H1 TIP3 36 -4.254 -51.435 13.305 1.00 0.00 WAT1 ATOM 2515 H2 TIP3 36 -5.325 -52.334 12.657 1.00 0.00 WAT1 ATOM 2516 OH2 TIP3 37 -8.058 -55.042 14.011 1.00 0.00 WAT1 ATOM 2517 H1 TIP3 37 -7.163 -55.287 14.326 1.00 0.00 WAT1 ATOM 2518 H2 TIP3 37 -8.256 -54.225 14.482 1.00 0.00 WAT1 ATOM 2519 OH2 TIP3 38 -8.535 -51.519 16.930 1.00 0.00 WAT1 ATOM 2520 H1 TIP3 38 -9.380 -51.110 16.730 1.00 0.00 WAT1 ATOM 2521 H2 TIP3 38 -8.295 -51.158 17.814 1.00 0.00 WAT1 ATOM 2522 OH2 TIP3 39 -5.097 -54.162 12.396 1.00 0.00 WAT1 ATOM 2523 H1 TIP3 39 -5.351 -54.535 13.268 1.00 0.00 WAT1 ATOM 2524 H2 TIP3 39 -4.144 -54.374 12.317 1.00 0.00 WAT1 ATOM 2525 OH2 TIP3 40 -5.478 -55.160 14.956 1.00 0.00 WAT1 ATOM 2526 H1 TIP3 40 -4.908 -55.586 15.606 1.00 0.00 WAT1 ATOM 2527 H2 TIP3 40 -5.742 -54.307 15.387 1.00 0.00 WAT1 ATOM 2528 OH2 TIP3 41 -6.390 -55.110 10.199 1.00 0.00 WAT1 ATOM 2529 H1 TIP3 41 -7.138 -55.581 10.634 1.00 0.00 WAT1 ATOM 2530 H2 TIP3 41 -5.871 -54.746 10.952 1.00 0.00 WAT1 ATOM 2531 OH2 TIP3 42 -5.589 -49.364 20.324 1.00 0.00 WAT1 ATOM 2532 H1 TIP3 42 -5.167 -49.183 19.457 1.00 0.00 WAT1 ATOM 2533 H2 TIP3 42 -4.855 -49.706 20.879 1.00 0.00 WAT1 ATOM 2534 OH2 TIP3 43 -10.207 -53.802 10.004 1.00 0.00 WAT1 ATOM 2535 H1 TIP3 43 -9.942 -54.168 9.144 1.00 0.00 WAT1 ATOM 2536 H2 TIP3 43 -10.506 -54.584 10.514 1.00 0.00 WAT1 ATOM 2537 OH2 TIP3 44 -8.723 -51.605 9.029 1.00 0.00 WAT1 ATOM 2538 H1 TIP3 44 -9.003 -52.334 9.623 1.00 0.00 WAT1 ATOM 2539 H2 TIP3 44 -7.734 -51.639 9.052 1.00 0.00 WAT1 ATOM 2540 OH2 TIP3 45 -6.039 -51.769 9.031 1.00 0.00 WAT1 ATOM 2541 H1 TIP3 45 -5.311 -51.841 9.660 1.00 0.00 WAT1 ATOM 2542 H2 TIP3 45 -5.910 -52.525 8.425 1.00 0.00 WAT1 ATOM 2543 OH2 TIP3 46 -6.108 -54.186 7.739 1.00 0.00 WAT1 ATOM 2544 H1 TIP3 46 -5.189 -54.394 7.430 1.00 0.00 WAT1 ATOM 2545 H2 TIP3 46 -6.127 -54.520 8.675 1.00 0.00 WAT1 ATOM 2546 OH2 TIP3 47 -11.080 -56.180 11.200 1.00 0.00 WAT1 ATOM 2547 H1 TIP3 47 -11.686 -56.133 11.948 1.00 0.00 WAT1 ATOM 2548 H2 TIP3 47 -11.238 -57.075 10.818 1.00 0.00 WAT1 ATOM 2549 OH2 TIP3 48 -8.369 -56.265 11.604 1.00 0.00 WAT1 ATOM 2550 H1 TIP3 48 -9.338 -56.272 11.495 1.00 0.00 WAT1 ATOM 2551 H2 TIP3 48 -8.231 -55.873 12.496 1.00 0.00 WAT1 ATOM 2552 OH2 TIP3 49 -1.209 -57.574 11.290 1.00 0.00 WAT1 ATOM 2553 H1 TIP3 49 -1.506 -57.050 10.516 1.00 0.00 WAT1 ATOM 2554 H2 TIP3 49 -0.858 -58.384 10.904 1.00 0.00 WAT1 ATOM 2555 OH2 TIP3 50 -13.640 -51.884 7.769 1.00 0.00 WAT1 ATOM 2556 H1 TIP3 50 -12.752 -51.482 7.878 1.00 0.00 WAT1 ATOM 2557 H2 TIP3 50 -14.212 -51.134 7.523 1.00 0.00 WAT1 ATOM 2558 OH2 TIP3 51 -11.478 -58.761 10.354 1.00 0.00 WAT1 ATOM 2559 H1 TIP3 51 -11.580 -59.568 10.869 1.00 0.00 WAT1 ATOM 2560 H2 TIP3 51 -11.261 -59.070 9.465 1.00 0.00 WAT1 ATOM 2561 OH2 TIP3 52 -8.823 -53.908 7.395 1.00 0.00 WAT1 ATOM 2562 H1 TIP3 52 -7.846 -53.957 7.457 1.00 0.00 WAT1 ATOM 2563 H2 TIP3 52 -9.024 -52.973 7.570 1.00 0.00 WAT1 ATOM 2564 OH2 TIP3 53 -11.210 -51.333 10.858 1.00 0.00 WAT1 ATOM 2565 H1 TIP3 53 -10.976 -52.275 10.741 1.00 0.00 WAT1 ATOM 2566 H2 TIP3 53 -11.605 -51.081 10.010 1.00 0.00 WAT1 ATOM 2567 OH2 TIP3 54 -4.129 -51.187 16.351 1.00 0.00 WAT1 ATOM 2568 H1 TIP3 54 -3.722 -51.414 15.479 1.00 0.00 WAT1 ATOM 2569 H2 TIP3 54 -3.483 -51.519 17.004 1.00 0.00 WAT1 ATOM 2570 OH2 TIP3 55 -9.457 -56.023 5.848 1.00 0.00 WAT1 ATOM 2571 H1 TIP3 55 -9.357 -55.183 6.351 1.00 0.00 WAT1 ATOM 2572 H2 TIP3 55 -8.790 -56.615 6.246 1.00 0.00 WAT1 ATOM 2573 OH2 TIP3 56 -3.634 -54.990 7.177 1.00 0.00 WAT1 ATOM 2574 H1 TIP3 56 -3.447 -55.515 6.374 1.00 0.00 WAT1 ATOM 2575 H2 TIP3 56 -3.016 -55.346 7.841 1.00 0.00 WAT1 ATOM 2576 OH2 TIP3 57 -11.140 -50.768 7.999 1.00 0.00 WAT1 ATOM 2577 H1 TIP3 57 -10.280 -51.053 8.373 1.00 0.00 WAT1 ATOM 2578 H2 TIP3 57 -10.911 -50.425 7.116 1.00 0.00 WAT1 ATOM 2579 OH2 TIP3 58 -4.354 -48.888 17.924 1.00 0.00 WAT1 ATOM 2580 H1 TIP3 58 -3.402 -49.071 18.095 1.00 0.00 WAT1 ATOM 2581 H2 TIP3 58 -4.602 -49.548 17.244 1.00 0.00 WAT1 ATOM 2582 OH2 TIP3 59 -1.761 -49.599 18.423 1.00 0.00 WAT1 ATOM 2583 H1 TIP3 59 -0.900 -49.296 18.059 1.00 0.00 WAT1 ATOM 2584 H2 TIP3 59 -1.755 -50.572 18.275 1.00 0.00 WAT1 ATOM 2585 OH2 TIP3 60 -2.454 -54.744 12.673 1.00 0.00 WAT1 ATOM 2586 H1 TIP3 60 -2.495 -54.057 13.368 1.00 0.00 WAT1 ATOM 2587 H2 TIP3 60 -2.303 -55.578 13.171 1.00 0.00 WAT1 ATOM 2588 OH2 TIP3 61 -1.867 -57.112 13.928 1.00 0.00 WAT1 ATOM 2589 H1 TIP3 61 -1.831 -57.970 14.412 1.00 0.00 WAT1 ATOM 2590 H2 TIP3 61 -1.757 -57.367 12.988 1.00 0.00 WAT1 ATOM 2591 OH2 TIP3 62 -1.619 -54.866 18.846 1.00 0.00 WAT1 ATOM 2592 H1 TIP3 62 -0.731 -54.523 19.075 1.00 0.00 WAT1 ATOM 2593 H2 TIP3 62 -1.512 -55.234 17.937 1.00 0.00 WAT1 ATOM 2594 OH2 TIP3 63 -1.959 -52.271 17.779 1.00 0.00 WAT1 ATOM 2595 H1 TIP3 63 -1.659 -52.549 16.877 1.00 0.00 WAT1 ATOM 2596 H2 TIP3 63 -2.050 -53.112 18.269 1.00 0.00 WAT1 ATOM 2597 OH2 TIP3 64 -1.505 -56.106 8.796 1.00 0.00 WAT1 ATOM 2598 H1 TIP3 64 -1.007 -55.396 9.242 1.00 0.00 WAT1 ATOM 2599 H2 TIP3 64 -1.109 -56.152 7.897 1.00 0.00 WAT1 ATOM 2600 OH2 TIP3 65 -7.963 -50.371 19.343 1.00 0.00 WAT1 ATOM 2601 H1 TIP3 65 -8.539 -50.082 20.056 1.00 0.00 WAT1 ATOM 2602 H2 TIP3 65 -7.068 -50.092 19.633 1.00 0.00 WAT1 ATOM 2603 OH2 TIP3 66 -5.094 -34.883 -19.854 1.00 0.00 WAT1 ATOM 2604 H1 TIP3 66 -4.768 -35.338 -20.659 1.00 0.00 WAT1 ATOM 2605 H2 TIP3 66 -5.339 -35.613 -19.253 1.00 0.00 WAT1 ATOM 2606 OH2 TIP3 67 -3.108 -44.426 -19.078 1.00 0.00 WAT1 ATOM 2607 H1 TIP3 67 -2.908 -43.459 -19.030 1.00 0.00 WAT1 ATOM 2608 H2 TIP3 67 -2.304 -44.853 -18.705 1.00 0.00 WAT1 ATOM 2609 OH2 TIP3 68 -6.557 -41.804 -17.737 1.00 0.00 WAT1 ATOM 2610 H1 TIP3 68 -5.694 -41.646 -17.296 1.00 0.00 WAT1 ATOM 2611 H2 TIP3 68 -6.399 -42.601 -18.289 1.00 0.00 WAT1 ATOM 2612 OH2 TIP3 69 -6.881 -45.769 -17.696 1.00 0.00 WAT1 ATOM 2613 H1 TIP3 69 -6.569 -45.059 -18.303 1.00 0.00 WAT1 ATOM 2614 H2 TIP3 69 -7.826 -45.827 -17.867 1.00 0.00 WAT1 ATOM 2615 OH2 TIP3 70 -5.711 -37.048 -18.167 1.00 0.00 WAT1 ATOM 2616 H1 TIP3 70 -6.102 -37.858 -18.569 1.00 0.00 WAT1 ATOM 2617 H2 TIP3 70 -6.393 -36.746 -17.534 1.00 0.00 WAT1 ATOM 2618 OH2 TIP3 71 -5.599 -45.718 -15.246 1.00 0.00 WAT1 ATOM 2619 H1 TIP3 71 -6.131 -45.121 -14.675 1.00 0.00 WAT1 ATOM 2620 H2 TIP3 71 -6.097 -45.752 -16.086 1.00 0.00 WAT1 ATOM 2621 OH2 TIP3 72 -7.309 -41.094 -11.526 1.00 0.00 WAT1 ATOM 2622 H1 TIP3 72 -7.502 -41.191 -12.482 1.00 0.00 WAT1 ATOM 2623 H2 TIP3 72 -6.343 -41.059 -11.481 1.00 0.00 WAT1 ATOM 2624 OH2 TIP3 73 -7.819 -36.321 -16.515 1.00 0.00 WAT1 ATOM 2625 H1 TIP3 73 -8.661 -36.273 -16.980 1.00 0.00 WAT1 ATOM 2626 H2 TIP3 73 -8.031 -36.805 -15.680 1.00 0.00 WAT1 ATOM 2627 OH2 TIP3 74 -1.316 -41.483 -13.379 1.00 0.00 WAT1 ATOM 2628 H1 TIP3 74 -0.466 -41.380 -13.846 1.00 0.00 WAT1 ATOM 2629 H2 TIP3 74 -1.952 -41.005 -13.944 1.00 0.00 WAT1 ATOM 2630 OH2 TIP3 75 -7.500 -41.277 -14.241 1.00 0.00 WAT1 ATOM 2631 H1 TIP3 75 -8.157 -41.260 -14.975 1.00 0.00 WAT1 ATOM 2632 H2 TIP3 75 -6.789 -40.676 -14.545 1.00 0.00 WAT1 ATOM 2633 OH2 TIP3 76 -5.985 -42.490 -21.669 1.00 0.00 WAT1 ATOM 2634 H1 TIP3 76 -5.467 -41.738 -21.301 1.00 0.00 WAT1 ATOM 2635 H2 TIP3 76 -6.104 -42.264 -22.595 1.00 0.00 WAT1 ATOM 2636 OH2 TIP3 77 -8.899 -41.118 -16.593 1.00 0.00 WAT1 ATOM 2637 H1 TIP3 77 -8.068 -41.430 -17.018 1.00 0.00 WAT1 ATOM 2638 H2 TIP3 77 -9.430 -40.796 -17.324 1.00 0.00 WAT1 ATOM 2639 OH2 TIP3 78 -7.161 -44.003 -13.737 1.00 0.00 WAT1 ATOM 2640 H1 TIP3 78 -7.510 -44.054 -12.842 1.00 0.00 WAT1 ATOM 2641 H2 TIP3 78 -7.262 -43.061 -13.980 1.00 0.00 WAT1 ATOM 2642 OH2 TIP3 79 -3.389 -27.414 -12.431 1.00 0.00 WAT1 ATOM 2643 H1 TIP3 79 -2.418 -27.511 -12.301 1.00 0.00 WAT1 ATOM 2644 H2 TIP3 79 -3.745 -28.322 -12.278 1.00 0.00 WAT1 ATOM 2645 OH2 TIP3 80 -6.671 -33.986 -15.695 1.00 0.00 WAT1 ATOM 2646 H1 TIP3 80 -5.710 -34.130 -15.852 1.00 0.00 WAT1 ATOM 2647 H2 TIP3 80 -7.093 -34.805 -16.038 1.00 0.00 WAT1 ATOM 2648 OH2 TIP3 81 -3.526 -38.199 -19.569 1.00 0.00 WAT1 ATOM 2649 H1 TIP3 81 -2.884 -38.702 -19.012 1.00 0.00 WAT1 ATOM 2650 H2 TIP3 81 -4.054 -37.687 -18.923 1.00 0.00 WAT1 ATOM 2651 OH2 TIP3 82 -8.426 -37.507 -14.167 1.00 0.00 WAT1 ATOM 2652 H1 TIP3 82 -7.624 -37.605 -13.613 1.00 0.00 WAT1 ATOM 2653 H2 TIP3 82 -9.124 -37.921 -13.650 1.00 0.00 WAT1 ATOM 2654 OH2 TIP3 83 -2.470 -32.832 -11.687 1.00 0.00 WAT1 ATOM 2655 H1 TIP3 83 -2.997 -32.663 -12.495 1.00 0.00 WAT1 ATOM 2656 H2 TIP3 83 -2.581 -33.790 -11.525 1.00 0.00 WAT1 ATOM 2657 OH2 TIP3 84 -1.229 -45.666 -14.260 1.00 0.00 WAT1 ATOM 2658 H1 TIP3 84 -1.175 -44.946 -14.901 1.00 0.00 WAT1 ATOM 2659 H2 TIP3 84 -2.069 -46.133 -14.489 1.00 0.00 WAT1 ATOM 2660 OH2 TIP3 85 -4.466 -40.588 -20.473 1.00 0.00 WAT1 ATOM 2661 H1 TIP3 85 -3.775 -41.148 -20.042 1.00 0.00 WAT1 ATOM 2662 H2 TIP3 85 -4.141 -39.672 -20.339 1.00 0.00 WAT1 ATOM 2663 OH2 TIP3 86 -3.991 -33.847 -16.085 1.00 0.00 WAT1 ATOM 2664 H1 TIP3 86 -4.193 -33.313 -16.886 1.00 0.00 WAT1 ATOM 2665 H2 TIP3 86 -3.285 -34.458 -16.384 1.00 0.00 WAT1 ATOM 2666 OH2 TIP3 87 -7.240 -37.011 -10.370 1.00 0.00 WAT1 ATOM 2667 H1 TIP3 87 -6.853 -37.405 -11.180 1.00 0.00 WAT1 ATOM 2668 H2 TIP3 87 -7.396 -36.071 -10.612 1.00 0.00 WAT1 ATOM 2669 OH2 TIP3 88 -6.630 -39.432 -19.111 1.00 0.00 WAT1 ATOM 2670 H1 TIP3 88 -5.993 -39.744 -19.777 1.00 0.00 WAT1 ATOM 2671 H2 TIP3 88 -6.768 -40.208 -18.536 1.00 0.00 WAT1 ATOM 2672 OH2 TIP3 89 -5.394 -39.595 -14.917 1.00 0.00 WAT1 ATOM 2673 H1 TIP3 89 -5.017 -40.243 -15.551 1.00 0.00 WAT1 ATOM 2674 H2 TIP3 89 -5.016 -38.749 -15.195 1.00 0.00 WAT1 ATOM 2675 OH2 TIP3 90 -4.431 -32.324 -13.575 1.00 0.00 WAT1 ATOM 2676 H1 TIP3 90 -5.357 -32.595 -13.422 1.00 0.00 WAT1 ATOM 2677 H2 TIP3 90 -4.205 -32.726 -14.438 1.00 0.00 WAT1 ATOM 2678 OH2 TIP3 91 -1.406 -43.360 -21.378 1.00 0.00 WAT1 ATOM 2679 H1 TIP3 91 -1.718 -42.720 -20.705 1.00 0.00 WAT1 ATOM 2680 H2 TIP3 91 -1.880 -44.172 -21.166 1.00 0.00 WAT1 ATOM 2681 OH2 TIP3 92 -4.063 -36.628 -21.739 1.00 0.00 WAT1 ATOM 2682 H1 TIP3 92 -3.915 -37.168 -22.516 1.00 0.00 WAT1 ATOM 2683 H2 TIP3 92 -3.771 -37.195 -20.992 1.00 0.00 WAT1 ATOM 2684 OH2 TIP3 93 -4.061 -41.211 -16.740 1.00 0.00 WAT1 ATOM 2685 H1 TIP3 93 -3.607 -41.273 -17.608 1.00 0.00 WAT1 ATOM 2686 H2 TIP3 93 -3.358 -40.913 -16.132 1.00 0.00 WAT1 ATOM 2687 OH2 TIP3 94 -1.974 -39.826 -15.530 1.00 0.00 WAT1 ATOM 2688 H1 TIP3 94 -1.039 -39.726 -15.274 1.00 0.00 WAT1 ATOM 2689 H2 TIP3 94 -1.962 -39.743 -16.521 1.00 0.00 WAT1 ATOM 2690 OH2 TIP3 95 -0.035 -49.890 -11.323 1.00 0.00 WAT1 ATOM 2691 H1 TIP3 95 -0.465 -49.417 -12.043 1.00 0.00 WAT1 ATOM 2692 H2 TIP3 95 0.766 -50.273 -11.733 1.00 0.00 WAT1 ATOM 2693 OH2 TIP3 96 -0.377 -48.149 -15.014 1.00 0.00 WAT1 ATOM 2694 H1 TIP3 96 -0.406 -47.250 -14.627 1.00 0.00 WAT1 ATOM 2695 H2 TIP3 96 -1.254 -48.261 -15.410 1.00 0.00 WAT1 ATOM 2696 OH2 TIP3 97 -7.328 -34.327 -11.110 1.00 0.00 WAT1 ATOM 2697 H1 TIP3 97 -6.427 -34.012 -10.901 1.00 0.00 WAT1 ATOM 2698 H2 TIP3 97 -7.558 -33.849 -11.933 1.00 0.00 WAT1 ATOM 2699 OH2 TIP3 98 -3.318 -47.178 -15.183 1.00 0.00 WAT1 ATOM 2700 H1 TIP3 98 -4.110 -46.591 -15.114 1.00 0.00 WAT1 ATOM 2701 H2 TIP3 98 -3.611 -47.897 -15.753 1.00 0.00 WAT1 ATOM 2702 OH2 TIP3 99 -7.213 -32.751 -13.378 1.00 0.00 WAT1 ATOM 2703 H1 TIP3 99 -7.149 -33.265 -14.219 1.00 0.00 WAT1 ATOM 2704 H2 TIP3 99 -7.490 -31.872 -13.660 1.00 0.00 WAT1 ATOM 2705 OH2 TIP3 100 -5.928 -31.406 -16.424 1.00 0.00 WAT1 ATOM 2706 H1 TIP3 100 -6.391 -32.214 -16.138 1.00 0.00 WAT1 ATOM 2707 H2 TIP3 100 -5.500 -31.667 -17.268 1.00 0.00 WAT1 ATOM 2708 OH2 TIP3 101 -4.954 -33.115 -10.348 1.00 0.00 WAT1 ATOM 2709 H1 TIP3 101 -4.410 -32.390 -10.695 1.00 0.00 WAT1 ATOM 2710 H2 TIP3 101 -4.418 -33.923 -10.530 1.00 0.00 WAT1 ATOM 2711 OH2 TIP3 102 -6.127 -32.400 1.183 1.00 0.00 WAT1 ATOM 2712 H1 TIP3 102 -6.693 -31.975 0.510 1.00 0.00 WAT1 ATOM 2713 H2 TIP3 102 -5.349 -31.798 1.260 1.00 0.00 WAT1 ATOM 2714 OH2 TIP3 103 -9.459 -40.755 -0.382 1.00 0.00 WAT1 ATOM 2715 H1 TIP3 103 -9.529 -41.494 0.242 1.00 0.00 WAT1 ATOM 2716 H2 TIP3 103 -10.321 -40.759 -0.853 1.00 0.00 WAT1 ATOM 2717 OH2 TIP3 104 -6.376 -43.078 -3.754 1.00 0.00 WAT1 ATOM 2718 H1 TIP3 104 -6.327 -42.551 -2.936 1.00 0.00 WAT1 ATOM 2719 H2 TIP3 104 -5.591 -43.663 -3.713 1.00 0.00 WAT1 ATOM 2720 OH2 TIP3 105 -12.414 -40.276 1.060 1.00 0.00 WAT1 ATOM 2721 H1 TIP3 105 -12.368 -40.436 0.096 1.00 0.00 WAT1 ATOM 2722 H2 TIP3 105 -11.506 -40.414 1.366 1.00 0.00 WAT1 ATOM 2723 OH2 TIP3 106 -9.618 -35.508 -5.329 1.00 0.00 WAT1 ATOM 2724 H1 TIP3 106 -8.768 -35.226 -5.724 1.00 0.00 WAT1 ATOM 2725 H2 TIP3 106 -10.061 -34.671 -5.099 1.00 0.00 WAT1 ATOM 2726 OH2 TIP3 107 -9.920 -40.658 3.014 1.00 0.00 WAT1 ATOM 2727 H1 TIP3 107 -8.999 -40.613 3.306 1.00 0.00 WAT1 ATOM 2728 H2 TIP3 107 -10.404 -40.108 3.665 1.00 0.00 WAT1 ATOM 2729 OH2 TIP3 108 -12.430 -48.173 0.606 1.00 0.00 WAT1 ATOM 2730 H1 TIP3 108 -12.181 -48.785 -0.094 1.00 0.00 WAT1 ATOM 2731 H2 TIP3 108 -11.637 -47.618 0.732 1.00 0.00 WAT1 ATOM 2732 OH2 TIP3 109 -8.160 -40.437 -6.823 1.00 0.00 WAT1 ATOM 2733 H1 TIP3 109 -8.150 -40.184 -7.780 1.00 0.00 WAT1 ATOM 2734 H2 TIP3 109 -8.064 -41.403 -6.831 1.00 0.00 WAT1 ATOM 2735 OH2 TIP3 110 -11.160 -37.618 -4.242 1.00 0.00 WAT1 ATOM 2736 H1 TIP3 110 -10.329 -38.122 -4.243 1.00 0.00 WAT1 ATOM 2737 H2 TIP3 110 -10.911 -36.756 -4.621 1.00 0.00 WAT1 ATOM 2738 OH2 TIP3 111 -14.289 -40.942 2.890 1.00 0.00 WAT1 ATOM 2739 H1 TIP3 111 -13.615 -40.718 2.204 1.00 0.00 WAT1 ATOM 2740 H2 TIP3 111 -14.943 -40.243 2.813 1.00 0.00 WAT1 ATOM 2741 OH2 TIP3 112 -6.323 -35.978 -0.265 1.00 0.00 WAT1 ATOM 2742 H1 TIP3 112 -6.018 -36.173 0.645 1.00 0.00 WAT1 ATOM 2743 H2 TIP3 112 -7.057 -36.600 -0.402 1.00 0.00 WAT1 ATOM 2744 OH2 TIP3 113 -5.016 -39.778 -9.978 1.00 0.00 WAT1 ATOM 2745 H1 TIP3 113 -5.866 -39.695 -9.507 1.00 0.00 WAT1 ATOM 2746 H2 TIP3 113 -4.362 -39.931 -9.267 1.00 0.00 WAT1 ATOM 2747 OH2 TIP3 114 -13.052 -39.440 -3.454 1.00 0.00 WAT1 ATOM 2748 H1 TIP3 114 -12.364 -38.775 -3.688 1.00 0.00 WAT1 ATOM 2749 H2 TIP3 114 -13.852 -39.104 -3.865 1.00 0.00 WAT1 ATOM 2750 OH2 TIP3 115 -2.035 -48.186 -7.832 1.00 0.00 WAT1 ATOM 2751 H1 TIP3 115 -2.843 -47.726 -8.116 1.00 0.00 WAT1 ATOM 2752 H2 TIP3 115 -1.366 -47.474 -7.767 1.00 0.00 WAT1 ATOM 2753 OH2 TIP3 116 -3.471 -35.334 -10.815 1.00 0.00 WAT1 ATOM 2754 H1 TIP3 116 -3.380 -35.550 -9.858 1.00 0.00 WAT1 ATOM 2755 H2 TIP3 116 -3.540 -36.210 -11.249 1.00 0.00 WAT1 ATOM 2756 OH2 TIP3 117 -7.039 -32.989 -8.606 1.00 0.00 WAT1 ATOM 2757 H1 TIP3 117 -7.637 -33.402 -9.251 1.00 0.00 WAT1 ATOM 2758 H2 TIP3 117 -6.189 -32.909 -9.090 1.00 0.00 WAT1 ATOM 2759 OH2 TIP3 118 -7.252 -34.555 -6.394 1.00 0.00 WAT1 ATOM 2760 H1 TIP3 118 -6.897 -35.387 -6.785 1.00 0.00 WAT1 ATOM 2761 H2 TIP3 118 -7.202 -33.906 -7.133 1.00 0.00 WAT1 ATOM 2762 OH2 TIP3 119 -10.696 -32.933 -4.889 1.00 0.00 WAT1 ATOM 2763 H1 TIP3 119 -11.204 -32.689 -5.672 1.00 0.00 WAT1 ATOM 2764 H2 TIP3 119 -11.140 -32.457 -4.157 1.00 0.00 WAT1 ATOM 2765 OH2 TIP3 120 -6.146 -38.057 -12.717 1.00 0.00 WAT1 ATOM 2766 H1 TIP3 120 -5.989 -38.758 -13.382 1.00 0.00 WAT1 ATOM 2767 H2 TIP3 120 -5.254 -37.878 -12.348 1.00 0.00 WAT1 ATOM 2768 OH2 TIP3 121 -13.753 -43.222 4.248 1.00 0.00 WAT1 ATOM 2769 H1 TIP3 121 -14.058 -42.401 3.785 1.00 0.00 WAT1 ATOM 2770 H2 TIP3 121 -13.478 -43.809 3.531 1.00 0.00 WAT1 ATOM 2771 OH2 TIP3 122 -7.903 -43.327 -5.975 1.00 0.00 WAT1 ATOM 2772 H1 TIP3 122 -8.758 -43.068 -5.610 1.00 0.00 WAT1 ATOM 2773 H2 TIP3 122 -7.286 -43.274 -5.200 1.00 0.00 WAT1 ATOM 2774 OH2 TIP3 123 -10.080 -46.711 0.861 1.00 0.00 WAT1 ATOM 2775 H1 TIP3 123 -9.969 -46.392 -0.068 1.00 0.00 WAT1 ATOM 2776 H2 TIP3 123 -9.293 -47.248 1.024 1.00 0.00 WAT1 ATOM 2777 OH2 TIP3 124 -4.833 -30.861 7.478 1.00 0.00 WAT1 ATOM 2778 H1 TIP3 124 -5.500 -31.166 6.839 1.00 0.00 WAT1 ATOM 2779 H2 TIP3 124 -4.821 -31.561 8.161 1.00 0.00 WAT1 ATOM 2780 OH2 TIP3 125 -11.900 -41.039 -1.575 1.00 0.00 WAT1 ATOM 2781 H1 TIP3 125 -12.179 -41.953 -1.755 1.00 0.00 WAT1 ATOM 2782 H2 TIP3 125 -12.349 -40.505 -2.275 1.00 0.00 WAT1 ATOM 2783 OH2 TIP3 126 -10.665 -42.734 1.429 1.00 0.00 WAT1 ATOM 2784 H1 TIP3 126 -11.021 -43.521 1.900 1.00 0.00 WAT1 ATOM 2785 H2 TIP3 126 -10.456 -42.097 2.148 1.00 0.00 WAT1 ATOM 2786 OH2 TIP3 127 -8.579 -38.341 -4.989 1.00 0.00 WAT1 ATOM 2787 H1 TIP3 127 -8.782 -37.539 -5.498 1.00 0.00 WAT1 ATOM 2788 H2 TIP3 127 -8.528 -39.050 -5.665 1.00 0.00 WAT1 ATOM 2789 OH2 TIP3 128 -5.808 -44.074 -7.744 1.00 0.00 WAT1 ATOM 2790 H1 TIP3 128 -5.157 -43.345 -7.684 1.00 0.00 WAT1 ATOM 2791 H2 TIP3 128 -6.502 -43.820 -7.107 1.00 0.00 WAT1 ATOM 2792 OH2 TIP3 129 -5.497 -38.272 4.641 1.00 0.00 WAT1 ATOM 2793 H1 TIP3 129 -6.455 -38.431 4.808 1.00 0.00 WAT1 ATOM 2794 H2 TIP3 129 -5.221 -39.041 4.092 1.00 0.00 WAT1 ATOM 2795 OH2 TIP3 130 -4.301 -41.903 -6.920 1.00 0.00 WAT1 ATOM 2796 H1 TIP3 130 -3.711 -42.194 -6.212 1.00 0.00 WAT1 ATOM 2797 H2 TIP3 130 -3.721 -41.385 -7.518 1.00 0.00 WAT1 ATOM 2798 OH2 TIP3 131 -6.251 -36.732 -7.722 1.00 0.00 WAT1 ATOM 2799 H1 TIP3 131 -6.055 -37.653 -7.428 1.00 0.00 WAT1 ATOM 2800 H2 TIP3 131 -6.650 -36.846 -8.612 1.00 0.00 WAT1 ATOM 2801 OH2 TIP3 132 -10.930 -39.368 5.220 1.00 0.00 WAT1 ATOM 2802 H1 TIP3 132 -10.441 -40.080 5.685 1.00 0.00 WAT1 ATOM 2803 H2 TIP3 132 -11.856 -39.541 5.432 1.00 0.00 WAT1 ATOM 2804 OH2 TIP3 133 -5.998 -36.938 2.270 1.00 0.00 WAT1 ATOM 2805 H1 TIP3 133 -5.778 -37.350 3.132 1.00 0.00 WAT1 ATOM 2806 H2 TIP3 133 -6.601 -37.588 1.843 1.00 0.00 WAT1 ATOM 2807 OH2 TIP3 134 -2.846 -40.018 -8.279 1.00 0.00 WAT1 ATOM 2808 H1 TIP3 134 -2.260 -39.489 -8.866 1.00 0.00 WAT1 ATOM 2809 H2 TIP3 134 -2.727 -39.616 -7.398 1.00 0.00 WAT1 ATOM 2810 OH2 TIP3 135 -7.775 -39.569 -9.356 1.00 0.00 WAT1 ATOM 2811 H1 TIP3 135 -7.768 -40.137 -10.165 1.00 0.00 WAT1 ATOM 2812 H2 TIP3 135 -7.795 -38.654 -9.707 1.00 0.00 WAT1 ATOM 2813 OH2 TIP3 136 -7.870 -38.458 0.823 1.00 0.00 WAT1 ATOM 2814 H1 TIP3 136 -8.616 -38.610 1.417 1.00 0.00 WAT1 ATOM 2815 H2 TIP3 136 -7.935 -39.184 0.176 1.00 0.00 WAT1 ATOM 2816 OH2 TIP3 137 -3.696 -35.790 -8.107 1.00 0.00 WAT1 ATOM 2817 H1 TIP3 137 -4.582 -36.172 -7.941 1.00 0.00 WAT1 ATOM 2818 H2 TIP3 137 -3.575 -35.146 -7.390 1.00 0.00 WAT1 ATOM 2819 OH2 TIP3 138 -2.451 -32.610 3.017 1.00 0.00 WAT1 ATOM 2820 H1 TIP3 138 -3.051 -32.522 3.790 1.00 0.00 WAT1 ATOM 2821 H2 TIP3 138 -2.811 -31.973 2.365 1.00 0.00 WAT1 ATOM 2822 OH2 TIP3 139 -2.625 -28.400 -9.313 1.00 0.00 WAT1 ATOM 2823 H1 TIP3 139 -2.348 -29.205 -9.795 1.00 0.00 WAT1 ATOM 2824 H2 TIP3 139 -3.577 -28.296 -9.545 1.00 0.00 WAT1 ATOM 2825 OH2 TIP3 140 -5.689 -39.272 -6.827 1.00 0.00 WAT1 ATOM 2826 H1 TIP3 140 -5.097 -40.041 -6.766 1.00 0.00 WAT1 ATOM 2827 H2 TIP3 140 -6.581 -39.646 -6.683 1.00 0.00 WAT1 ATOM 2828 OH2 TIP3 141 -3.989 -46.144 -8.382 1.00 0.00 WAT1 ATOM 2829 H1 TIP3 141 -4.618 -45.404 -8.271 1.00 0.00 WAT1 ATOM 2830 H2 TIP3 141 -3.293 -45.779 -8.969 1.00 0.00 WAT1 ATOM 2831 OH2 TIP3 142 -10.129 -45.818 -1.710 1.00 0.00 WAT1 ATOM 2832 H1 TIP3 142 -10.753 -45.065 -1.683 1.00 0.00 WAT1 ATOM 2833 H2 TIP3 142 -10.276 -46.222 -2.577 1.00 0.00 WAT1 ATOM 2834 OH2 TIP3 143 -7.941 -45.841 -7.433 1.00 0.00 WAT1 ATOM 2835 H1 TIP3 143 -8.131 -45.180 -6.742 1.00 0.00 WAT1 ATOM 2836 H2 TIP3 143 -7.262 -45.413 -7.986 1.00 0.00 WAT1 ATOM 2837 OH2 TIP3 144 -7.949 -34.575 6.696 1.00 0.00 WAT1 ATOM 2838 H1 TIP3 144 -8.658 -35.030 6.231 1.00 0.00 WAT1 ATOM 2839 H2 TIP3 144 -7.268 -35.268 6.832 1.00 0.00 WAT1 ATOM 2840 OH2 TIP3 145 -7.065 -29.400 -11.426 1.00 0.00 WAT1 ATOM 2841 H1 TIP3 145 -7.785 -29.143 -12.012 1.00 0.00 WAT1 ATOM 2842 H2 TIP3 145 -7.513 -29.592 -10.566 1.00 0.00 WAT1 ATOM 2843 OH2 TIP3 146 -8.159 -38.669 4.969 1.00 0.00 WAT1 ATOM 2844 H1 TIP3 146 -9.083 -38.376 4.913 1.00 0.00 WAT1 ATOM 2845 H2 TIP3 146 -8.219 -39.555 5.388 1.00 0.00 WAT1 ATOM 2846 OH2 TIP3 147 -5.113 -40.440 2.887 1.00 0.00 WAT1 ATOM 2847 H1 TIP3 147 -5.230 -41.081 3.626 1.00 0.00 WAT1 ATOM 2848 H2 TIP3 147 -4.915 -41.006 2.113 1.00 0.00 WAT1 ATOM 2849 OH2 TIP3 148 -12.237 -44.318 7.701 1.00 0.00 WAT1 ATOM 2850 H1 TIP3 148 -11.460 -44.292 8.298 1.00 0.00 WAT1 ATOM 2851 H2 TIP3 148 -12.146 -43.504 7.162 1.00 0.00 WAT1 ATOM 2852 OH2 TIP3 149 -6.242 -37.415 9.887 1.00 0.00 WAT1 ATOM 2853 H1 TIP3 149 -6.194 -36.801 10.659 1.00 0.00 WAT1 ATOM 2854 H2 TIP3 149 -7.127 -37.277 9.537 1.00 0.00 WAT1 ATOM 2855 OH2 TIP3 150 -3.678 -37.997 -11.510 1.00 0.00 WAT1 ATOM 2856 H1 TIP3 150 -4.196 -38.655 -10.990 1.00 0.00 WAT1 ATOM 2857 H2 TIP3 150 -2.760 -38.114 -11.188 1.00 0.00 WAT1 ATOM 2858 OH2 TIP3 151 -14.500 -45.160 6.299 1.00 0.00 WAT1 ATOM 2859 H1 TIP3 151 -14.576 -44.401 5.691 1.00 0.00 WAT1 ATOM 2860 H2 TIP3 151 -13.766 -44.910 6.898 1.00 0.00 WAT1 ATOM 2861 OH2 TIP3 152 -11.923 -43.860 -0.761 1.00 0.00 WAT1 ATOM 2862 H1 TIP3 152 -11.410 -43.368 -0.083 1.00 0.00 WAT1 ATOM 2863 H2 TIP3 152 -12.565 -44.366 -0.248 1.00 0.00 WAT1 ATOM 2864 OH2 TIP3 153 -11.775 -42.280 5.870 1.00 0.00 WAT1 ATOM 2865 H1 TIP3 153 -12.545 -42.508 5.306 1.00 0.00 WAT1 ATOM 2866 H2 TIP3 153 -11.029 -42.752 5.457 1.00 0.00 WAT1 ATOM 2867 OH2 TIP3 154 -12.348 -47.065 8.098 1.00 0.00 WAT1 ATOM 2868 H1 TIP3 154 -13.281 -47.189 8.365 1.00 0.00 WAT1 ATOM 2869 H2 TIP3 154 -12.270 -46.101 7.944 1.00 0.00 WAT1 ATOM 2870 OH2 TIP3 155 -14.466 -48.100 2.473 1.00 0.00 WAT1 ATOM 2871 H1 TIP3 155 -14.588 -49.057 2.634 1.00 0.00 WAT1 ATOM 2872 H2 TIP3 155 -13.836 -48.064 1.721 1.00 0.00 WAT1 ATOM 2873 OH2 TIP3 156 -13.230 -46.440 4.192 1.00 0.00 WAT1 ATOM 2874 H1 TIP3 156 -13.836 -46.964 3.609 1.00 0.00 WAT1 ATOM 2875 H2 TIP3 156 -13.824 -46.046 4.864 1.00 0.00 WAT1 ATOM 2876 OH2 TIP3 157 -1.297 -38.544 -10.137 1.00 0.00 WAT1 ATOM 2877 H1 TIP3 157 -0.685 -37.778 -10.097 1.00 0.00 WAT1 ATOM 2878 H2 TIP3 157 -0.741 -39.278 -10.491 1.00 0.00 WAT1 ATOM 2879 OH2 TIP3 158 -1.834 -45.017 -9.887 1.00 0.00 WAT1 ATOM 2880 H1 TIP3 158 -2.242 -44.176 -10.193 1.00 0.00 WAT1 ATOM 2881 H2 TIP3 158 -1.149 -45.204 -10.567 1.00 0.00 WAT1 ATOM 2882 OH2 TIP3 159 -4.137 -44.726 -3.824 1.00 0.00 WAT1 ATOM 2883 H1 TIP3 159 -3.644 -45.385 -4.367 1.00 0.00 WAT1 ATOM 2884 H2 TIP3 159 -3.521 -43.966 -3.763 1.00 0.00 WAT1 ATOM 2885 OH2 TIP3 160 -2.381 -46.171 -5.424 1.00 0.00 WAT1 ATOM 2886 H1 TIP3 160 -1.660 -45.887 -6.015 1.00 0.00 WAT1 ATOM 2887 H2 TIP3 160 -2.556 -47.084 -5.689 1.00 0.00 WAT1 ATOM 2888 OH2 TIP3 161 -0.454 -45.953 -7.650 1.00 0.00 WAT1 ATOM 2889 H1 TIP3 161 0.494 -45.950 -7.886 1.00 0.00 WAT1 ATOM 2890 H2 TIP3 161 -0.894 -45.530 -8.418 1.00 0.00 WAT1 ATOM 2891 OH2 TIP3 162 -7.373 -31.950 5.824 1.00 0.00 WAT1 ATOM 2892 H1 TIP3 162 -7.477 -32.908 5.985 1.00 0.00 WAT1 ATOM 2893 H2 TIP3 162 -7.829 -31.535 6.577 1.00 0.00 WAT1 ATOM 2894 OH2 TIP3 163 -7.949 -31.692 -0.865 1.00 0.00 WAT1 ATOM 2895 H1 TIP3 163 -8.490 -32.471 -0.696 1.00 0.00 WAT1 ATOM 2896 H2 TIP3 163 -8.479 -31.168 -1.506 1.00 0.00 WAT1 ATOM 2897 OH2 TIP3 164 -5.105 -34.367 2.781 1.00 0.00 WAT1 ATOM 2898 H1 TIP3 164 -5.521 -33.723 2.163 1.00 0.00 WAT1 ATOM 2899 H2 TIP3 164 -5.573 -35.210 2.601 1.00 0.00 WAT1 ATOM 2900 OH2 TIP3 165 -2.272 -36.287 0.086 1.00 0.00 WAT1 ATOM 2901 H1 TIP3 165 -1.897 -35.903 -0.717 1.00 0.00 WAT1 ATOM 2902 H2 TIP3 165 -1.752 -37.115 0.221 1.00 0.00 WAT1 ATOM 2903 OH2 TIP3 166 -6.740 -46.492 -4.136 1.00 0.00 WAT1 ATOM 2904 H1 TIP3 166 -6.022 -45.920 -3.825 1.00 0.00 WAT1 ATOM 2905 H2 TIP3 166 -6.366 -46.933 -4.927 1.00 0.00 WAT1 ATOM 2906 OH2 TIP3 167 -5.748 -47.477 -6.509 1.00 0.00 WAT1 ATOM 2907 H1 TIP3 167 -6.539 -47.145 -6.970 1.00 0.00 WAT1 ATOM 2908 H2 TIP3 167 -5.000 -47.121 -7.030 1.00 0.00 WAT1 ATOM 2909 OH2 TIP3 168 -14.913 -49.600 6.583 1.00 0.00 WAT1 ATOM 2910 H1 TIP3 168 -15.354 -49.872 5.768 1.00 0.00 WAT1 ATOM 2911 H2 TIP3 168 -14.035 -49.278 6.285 1.00 0.00 WAT1 ATOM 2912 OH2 TIP3 169 -7.377 -37.307 14.282 1.00 0.00 WAT1 ATOM 2913 H1 TIP3 169 -6.900 -36.822 14.979 1.00 0.00 WAT1 ATOM 2914 H2 TIP3 169 -8.209 -37.598 14.718 1.00 0.00 WAT1 ATOM 2915 OH2 TIP3 170 -9.453 -38.244 15.826 1.00 0.00 WAT1 ATOM 2916 H1 TIP3 170 -9.531 -39.005 16.442 1.00 0.00 WAT1 ATOM 2917 H2 TIP3 170 -9.350 -37.475 16.411 1.00 0.00 WAT1 ATOM 2918 OH2 TIP3 171 -7.048 -33.409 16.643 1.00 0.00 WAT1 ATOM 2919 H1 TIP3 171 -7.632 -34.092 17.002 1.00 0.00 WAT1 ATOM 2920 H2 TIP3 171 -6.635 -33.005 17.439 1.00 0.00 WAT1 ATOM 2921 OH2 TIP3 172 -7.751 -28.440 15.499 1.00 0.00 WAT1 ATOM 2922 H1 TIP3 172 -7.737 -29.401 15.525 1.00 0.00 WAT1 ATOM 2923 H2 TIP3 172 -7.772 -28.174 16.443 1.00 0.00 WAT1 ATOM 2924 OH2 TIP3 173 -7.908 -36.296 17.492 1.00 0.00 WAT1 ATOM 2925 H1 TIP3 173 -7.018 -36.129 17.131 1.00 0.00 WAT1 ATOM 2926 H2 TIP3 173 -7.811 -37.139 17.985 1.00 0.00 WAT1 ATOM 2927 OH2 TIP3 174 -8.136 -41.374 15.068 1.00 0.00 WAT1 ATOM 2928 H1 TIP3 174 -7.326 -40.897 14.782 1.00 0.00 WAT1 ATOM 2929 H2 TIP3 174 -8.852 -40.966 14.540 1.00 0.00 WAT1 ATOM 2930 OH2 TIP3 175 -6.603 -35.850 12.099 1.00 0.00 WAT1 ATOM 2931 H1 TIP3 175 -6.315 -35.088 12.631 1.00 0.00 WAT1 ATOM 2932 H2 TIP3 175 -6.969 -36.474 12.761 1.00 0.00 WAT1 ATOM 2933 OH2 TIP3 176 -7.298 -45.419 17.012 1.00 0.00 WAT1 ATOM 2934 H1 TIP3 176 -7.668 -44.989 16.210 1.00 0.00 WAT1 ATOM 2935 H2 TIP3 176 -6.393 -45.628 16.771 1.00 0.00 WAT1 ATOM 2936 OH2 TIP3 177 -5.870 -34.210 14.292 1.00 0.00 WAT1 ATOM 2937 H1 TIP3 177 -5.580 -35.015 14.756 1.00 0.00 WAT1 ATOM 2938 H2 TIP3 177 -6.357 -33.706 14.982 1.00 0.00 WAT1 ATOM 2939 OH2 TIP3 178 -6.932 -41.620 10.573 1.00 0.00 WAT1 ATOM 2940 H1 TIP3 178 -6.224 -40.961 10.752 1.00 0.00 WAT1 ATOM 2941 H2 TIP3 178 -7.731 -41.230 10.984 1.00 0.00 WAT1 ATOM 2942 OH2 TIP3 179 -5.395 -38.890 16.882 1.00 0.00 WAT1 ATOM 2943 H1 TIP3 179 -6.136 -39.017 17.509 1.00 0.00 WAT1 ATOM 2944 H2 TIP3 179 -5.612 -39.472 16.131 1.00 0.00 WAT1 ATOM 2945 OH2 TIP3 180 -8.116 -42.335 8.170 1.00 0.00 WAT1 ATOM 2946 H1 TIP3 180 -8.782 -43.002 8.452 1.00 0.00 WAT1 ATOM 2947 H2 TIP3 180 -7.734 -42.008 9.010 1.00 0.00 WAT1 ATOM 2948 OH2 TIP3 181 -7.086 -31.782 11.082 1.00 0.00 WAT1 ATOM 2949 H1 TIP3 181 -7.515 -32.107 11.884 1.00 0.00 WAT1 ATOM 2950 H2 TIP3 181 -6.531 -31.031 11.395 1.00 0.00 WAT1 ATOM 2951 OH2 TIP3 182 -8.851 -35.660 23.611 1.00 0.00 WAT1 ATOM 2952 H1 TIP3 182 -8.966 -36.504 24.104 1.00 0.00 WAT1 ATOM 2953 H2 TIP3 182 -9.220 -35.855 22.715 1.00 0.00 WAT1 ATOM 2954 OH2 TIP3 183 -8.188 -31.942 8.515 1.00 0.00 WAT1 ATOM 2955 H1 TIP3 183 -7.892 -31.959 9.448 1.00 0.00 WAT1 ATOM 2956 H2 TIP3 183 -8.212 -32.877 8.254 1.00 0.00 WAT1 ATOM 2957 OH2 TIP3 184 -4.986 -32.769 9.588 1.00 0.00 WAT1 ATOM 2958 H1 TIP3 184 -5.818 -32.416 9.966 1.00 0.00 WAT1 ATOM 2959 H2 TIP3 184 -4.502 -33.110 10.366 1.00 0.00 WAT1 ATOM 2960 OH2 TIP3 185 -8.118 -44.723 19.567 1.00 0.00 WAT1 ATOM 2961 H1 TIP3 185 -7.652 -45.377 20.120 1.00 0.00 WAT1 ATOM 2962 H2 TIP3 185 -7.883 -44.977 18.648 1.00 0.00 WAT1 ATOM 2963 OH2 TIP3 186 -9.084 -43.544 11.597 1.00 0.00 WAT1 ATOM 2964 H1 TIP3 186 -9.297 -42.590 11.537 1.00 0.00 WAT1 ATOM 2965 H2 TIP3 186 -9.709 -43.888 12.277 1.00 0.00 WAT1 ATOM 2966 OH2 TIP3 187 -8.408 -40.627 23.242 1.00 0.00 WAT1 ATOM 2967 H1 TIP3 187 -9.307 -40.565 23.624 1.00 0.00 WAT1 ATOM 2968 H2 TIP3 187 -8.342 -41.563 22.950 1.00 0.00 WAT1 ATOM 2969 OH2 TIP3 188 -10.251 -40.105 13.850 1.00 0.00 WAT1 ATOM 2970 H1 TIP3 188 -10.875 -40.659 14.387 1.00 0.00 WAT1 ATOM 2971 H2 TIP3 188 -10.143 -39.290 14.380 1.00 0.00 WAT1 ATOM 2972 OH2 TIP3 189 -12.503 -48.547 5.785 1.00 0.00 WAT1 ATOM 2973 H1 TIP3 189 -12.268 -48.109 6.637 1.00 0.00 WAT1 ATOM 2974 H2 TIP3 189 -12.601 -47.801 5.153 1.00 0.00 WAT1 ATOM 2975 OH2 TIP3 190 -9.254 -40.544 17.461 1.00 0.00 WAT1 ATOM 2976 H1 TIP3 190 -8.863 -41.043 16.712 1.00 0.00 WAT1 ATOM 2977 H2 TIP3 190 -9.512 -41.245 18.107 1.00 0.00 WAT1 ATOM 2978 OH2 TIP3 191 -11.583 -47.378 15.317 1.00 0.00 WAT1 ATOM 2979 H1 TIP3 191 -10.633 -47.528 15.286 1.00 0.00 WAT1 ATOM 2980 H2 TIP3 191 -11.838 -47.252 14.378 1.00 0.00 WAT1 ATOM 2981 OH2 TIP3 192 -12.072 -46.743 12.655 1.00 0.00 WAT1 ATOM 2982 H1 TIP3 192 -11.471 -46.947 11.899 1.00 0.00 WAT1 ATOM 2983 H2 TIP3 192 -12.967 -46.857 12.277 1.00 0.00 WAT1 ATOM 2984 OH2 TIP3 193 -8.231 -44.109 14.769 1.00 0.00 WAT1 ATOM 2985 H1 TIP3 193 -8.186 -43.143 14.934 1.00 0.00 WAT1 ATOM 2986 H2 TIP3 193 -9.132 -44.250 14.416 1.00 0.00 WAT1 ATOM 2987 OH2 TIP3 194 -10.637 -47.304 10.433 1.00 0.00 WAT1 ATOM 2988 H1 TIP3 194 -11.041 -47.340 9.544 1.00 0.00 WAT1 ATOM 2989 H2 TIP3 194 -10.028 -48.066 10.453 1.00 0.00 WAT1 ATOM 2990 OH2 TIP3 195 -6.141 -28.097 21.571 1.00 0.00 WAT1 ATOM 2991 H1 TIP3 195 -6.507 -28.479 22.396 1.00 0.00 WAT1 ATOM 2992 H2 TIP3 195 -5.546 -27.374 21.884 1.00 0.00 WAT1 ATOM 2993 OH2 TIP3 196 -11.799 -41.672 15.380 1.00 0.00 WAT1 ATOM 2994 H1 TIP3 196 -11.785 -42.134 16.243 1.00 0.00 WAT1 ATOM 2995 H2 TIP3 196 -12.444 -42.183 14.849 1.00 0.00 WAT1 ATOM 2996 OH2 TIP3 197 -9.539 -40.855 11.309 1.00 0.00 WAT1 ATOM 2997 H1 TIP3 197 -10.256 -40.569 10.731 1.00 0.00 WAT1 ATOM 2998 H2 TIP3 197 -9.799 -40.521 12.201 1.00 0.00 WAT1 ATOM 2999 OH2 TIP3 198 -7.782 -38.823 21.316 1.00 0.00 WAT1 ATOM 3000 H1 TIP3 198 -7.229 -38.180 21.813 1.00 0.00 WAT1 ATOM 3001 H2 TIP3 198 -8.025 -39.501 21.988 1.00 0.00 WAT1 ATOM 3002 OH2 TIP3 199 -6.102 -39.728 14.211 1.00 0.00 WAT1 ATOM 3003 H1 TIP3 199 -5.563 -39.831 13.413 1.00 0.00 WAT1 ATOM 3004 H2 TIP3 199 -6.520 -38.846 14.106 1.00 0.00 WAT1 ATOM 3005 OH2 TIP3 200 -9.477 -36.660 21.131 1.00 0.00 WAT1 ATOM 3006 H1 TIP3 200 -8.985 -37.507 21.152 1.00 0.00 WAT1 ATOM 3007 H2 TIP3 200 -9.779 -36.586 20.218 1.00 0.00 WAT1 ATOM 3008 OH2 TIP3 201 -6.239 -32.454 26.950 1.00 0.00 WAT1 ATOM 3009 H1 TIP3 201 -6.435 -32.955 26.119 1.00 0.00 WAT1 ATOM 3010 H2 TIP3 201 -6.361 -33.125 27.666 1.00 0.00 WAT1 ATOM 3011 OH2 TIP3 202 -5.440 -36.294 16.209 1.00 0.00 WAT1 ATOM 3012 H1 TIP3 202 -5.316 -37.256 16.416 1.00 0.00 WAT1 ATOM 3013 H2 TIP3 202 -4.670 -35.869 16.606 1.00 0.00 WAT1 ATOM 3014 OH2 TIP3 203 -6.762 -34.028 24.816 1.00 0.00 WAT1 ATOM 3015 H1 TIP3 203 -6.016 -34.626 25.018 1.00 0.00 WAT1 ATOM 3016 H2 TIP3 203 -7.434 -34.606 24.419 1.00 0.00 WAT1 ATOM 3017 OH2 TIP3 204 -7.576 -38.770 18.615 1.00 0.00 WAT1 ATOM 3018 H1 TIP3 204 -8.194 -39.469 18.299 1.00 0.00 WAT1 ATOM 3019 H2 TIP3 204 -7.605 -38.850 19.596 1.00 0.00 WAT1 ATOM 3020 OH2 TIP3 205 -4.069 -33.320 12.178 1.00 0.00 WAT1 ATOM 3021 H1 TIP3 205 -4.733 -33.317 12.896 1.00 0.00 WAT1 ATOM 3022 H2 TIP3 205 -3.602 -34.174 12.293 1.00 0.00 WAT1 ATOM 3023 OH2 TIP3 206 -5.016 -39.681 10.999 1.00 0.00 WAT1 ATOM 3024 H1 TIP3 206 -4.101 -39.692 10.680 1.00 0.00 WAT1 ATOM 3025 H2 TIP3 206 -5.408 -38.887 10.576 1.00 0.00 WAT1 ATOM 3026 OH2 TIP3 207 -13.140 -45.212 16.084 1.00 0.00 WAT1 ATOM 3027 H1 TIP3 207 -12.594 -44.673 16.692 1.00 0.00 WAT1 ATOM 3028 H2 TIP3 207 -12.635 -46.046 15.982 1.00 0.00 WAT1 ATOM 3029 OH2 TIP3 208 -13.352 -43.492 14.040 1.00 0.00 WAT1 ATOM 3030 H1 TIP3 208 -13.397 -44.137 14.791 1.00 0.00 WAT1 ATOM 3031 H2 TIP3 208 -14.091 -43.739 13.474 1.00 0.00 WAT1 ATOM 3032 OH2 TIP3 209 -11.950 -43.255 17.673 1.00 0.00 WAT1 ATOM 3033 H1 TIP3 209 -12.609 -43.196 18.373 1.00 0.00 WAT1 ATOM 3034 H2 TIP3 209 -11.095 -43.101 18.135 1.00 0.00 WAT1 ATOM 3035 OH2 TIP3 210 -6.407 -49.232 11.647 1.00 0.00 WAT1 ATOM 3036 H1 TIP3 210 -7.335 -49.490 11.468 1.00 0.00 WAT1 ATOM 3037 H2 TIP3 210 -5.988 -50.055 11.997 1.00 0.00 WAT1 ATOM 3038 OH2 TIP3 211 -14.336 -47.399 11.001 1.00 0.00 WAT1 ATOM 3039 H1 TIP3 211 -14.505 -48.330 11.169 1.00 0.00 WAT1 ATOM 3040 H2 TIP3 211 -14.683 -47.252 10.099 1.00 0.00 WAT1 ATOM 3041 OH2 TIP3 212 -8.907 -31.488 26.650 1.00 0.00 WAT1 ATOM 3042 H1 TIP3 212 -7.998 -31.784 26.839 1.00 0.00 WAT1 ATOM 3043 H2 TIP3 212 -9.362 -32.302 26.351 1.00 0.00 WAT1 ATOM 3044 OH2 TIP3 213 -4.841 -34.028 7.155 1.00 0.00 WAT1 ATOM 3045 H1 TIP3 213 -4.897 -33.674 8.068 1.00 0.00 WAT1 ATOM 3046 H2 TIP3 213 -5.231 -34.921 7.220 1.00 0.00 WAT1 ATOM 3047 OH2 TIP3 214 -10.830 -41.229 24.366 1.00 0.00 WAT1 ATOM 3048 H1 TIP3 214 -11.137 -40.622 25.066 1.00 0.00 WAT1 ATOM 3049 H2 TIP3 214 -10.389 -41.950 24.851 1.00 0.00 WAT1 ATOM 3050 OH2 TIP3 215 -5.986 -36.563 7.045 1.00 0.00 WAT1 ATOM 3051 H1 TIP3 215 -5.719 -37.141 6.301 1.00 0.00 WAT1 ATOM 3052 H2 TIP3 215 -5.826 -37.105 7.838 1.00 0.00 WAT1 ATOM 3053 OH2 TIP3 216 -9.831 -44.284 9.053 1.00 0.00 WAT1 ATOM 3054 H1 TIP3 216 -9.631 -44.277 10.014 1.00 0.00 WAT1 ATOM 3055 H2 TIP3 216 -9.727 -45.226 8.792 1.00 0.00 WAT1 ATOM 3056 OH2 TIP3 217 -8.876 -41.098 5.897 1.00 0.00 WAT1 ATOM 3057 H1 TIP3 217 -8.542 -41.400 6.774 1.00 0.00 WAT1 ATOM 3058 H2 TIP3 217 -9.146 -41.923 5.453 1.00 0.00 WAT1 ATOM 3059 OH2 TIP3 218 -6.517 -36.719 22.423 1.00 0.00 WAT1 ATOM 3060 H1 TIP3 218 -7.213 -36.097 22.698 1.00 0.00 WAT1 ATOM 3061 H2 TIP3 218 -5.991 -36.224 21.784 1.00 0.00 WAT1 ATOM 3062 OH2 TIP3 219 -10.839 -42.363 21.714 1.00 0.00 WAT1 ATOM 3063 H1 TIP3 219 -11.139 -41.862 22.492 1.00 0.00 WAT1 ATOM 3064 H2 TIP3 219 -10.093 -42.903 22.054 1.00 0.00 WAT1 ATOM 3065 OH2 TIP3 220 -9.781 -42.593 19.200 1.00 0.00 WAT1 ATOM 3066 H1 TIP3 220 -9.161 -43.347 19.364 1.00 0.00 WAT1 ATOM 3067 H2 TIP3 220 -10.178 -42.416 20.083 1.00 0.00 WAT1 ATOM 3068 OH2 TIP3 221 -6.452 -45.038 22.899 1.00 0.00 WAT1 ATOM 3069 H1 TIP3 221 -6.412 -45.644 22.125 1.00 0.00 WAT1 ATOM 3070 H2 TIP3 221 -6.839 -45.591 23.615 1.00 0.00 WAT1 ATOM 3071 OH2 TIP3 222 -2.728 -47.820 22.809 1.00 0.00 WAT1 ATOM 3072 H1 TIP3 222 -3.106 -48.699 22.632 1.00 0.00 WAT1 ATOM 3073 H2 TIP3 222 -2.420 -47.516 21.931 1.00 0.00 WAT1 ATOM 3074 OH2 TIP3 223 -4.288 -46.345 19.000 1.00 0.00 WAT1 ATOM 3075 H1 TIP3 223 -4.433 -47.155 18.470 1.00 0.00 WAT1 ATOM 3076 H2 TIP3 223 -3.518 -46.566 19.560 1.00 0.00 WAT1 ATOM 3077 OH2 TIP3 224 -5.112 -29.983 11.855 1.00 0.00 WAT1 ATOM 3078 H1 TIP3 224 -4.344 -30.563 11.770 1.00 0.00 WAT1 ATOM 3079 H2 TIP3 224 -4.933 -29.250 11.223 1.00 0.00 WAT1 ATOM 3080 OH2 TIP3 225 -10.074 -29.432 24.662 1.00 0.00 WAT1 ATOM 3081 H1 TIP3 225 -10.019 -30.161 25.302 1.00 0.00 WAT1 ATOM 3082 H2 TIP3 225 -10.024 -28.625 25.212 1.00 0.00 WAT1 ATOM 3083 OH2 TIP3 226 -8.167 -29.106 27.903 1.00 0.00 WAT1 ATOM 3084 H1 TIP3 226 -8.692 -29.903 27.688 1.00 0.00 WAT1 ATOM 3085 H2 TIP3 226 -7.342 -29.218 27.384 1.00 0.00 WAT1 ATOM 3086 OH2 TIP3 227 -6.414 -46.664 20.712 1.00 0.00 WAT1 ATOM 3087 H1 TIP3 227 -6.318 -47.634 20.755 1.00 0.00 WAT1 ATOM 3088 H2 TIP3 227 -5.706 -46.383 20.092 1.00 0.00 WAT1 ATOM 3089 OH2 TIP3 228 -7.834 -28.156 18.283 1.00 0.00 WAT1 ATOM 3090 H1 TIP3 228 -7.736 -27.364 18.835 1.00 0.00 WAT1 ATOM 3091 H2 TIP3 228 -8.701 -28.525 18.553 1.00 0.00 WAT1 ATOM 3092 OH2 TIP3 229 -10.760 -44.461 13.517 1.00 0.00 WAT1 ATOM 3093 H1 TIP3 229 -11.129 -45.329 13.244 1.00 0.00 WAT1 ATOM 3094 H2 TIP3 229 -11.548 -43.936 13.753 1.00 0.00 WAT1 ATOM 3095 OH2 TIP3 230 -9.080 -49.605 10.880 1.00 0.00 WAT1 ATOM 3096 H1 TIP3 230 -9.870 -50.019 11.289 1.00 0.00 WAT1 ATOM 3097 H2 TIP3 230 -8.863 -50.200 10.137 1.00 0.00 WAT1 ATOM 3098 OH2 TIP3 231 -6.281 -47.410 13.609 1.00 0.00 WAT1 ATOM 3099 H1 TIP3 231 -6.291 -48.181 13.000 1.00 0.00 WAT1 ATOM 3100 H2 TIP3 231 -5.934 -47.767 14.434 1.00 0.00 WAT1 ATOM 3101 OH2 TIP3 232 -15.084 -47.313 8.256 1.00 0.00 WAT1 ATOM 3102 H1 TIP3 232 -15.243 -46.600 7.609 1.00 0.00 WAT1 ATOM 3103 H2 TIP3 232 -15.224 -48.137 7.744 1.00 0.00 WAT1 ATOM 3104 OH2 TIP3 233 -1.748 -31.906 11.398 1.00 0.00 WAT1 ATOM 3105 H1 TIP3 233 -1.706 -31.890 10.432 1.00 0.00 WAT1 ATOM 3106 H2 TIP3 233 -2.557 -32.413 11.599 1.00 0.00 WAT1 ATOM 3107 OH2 TIP3 234 -5.520 -37.716 31.909 1.00 0.00 WAT1 ATOM 3108 H1 TIP3 234 -4.821 -38.031 32.502 1.00 0.00 WAT1 ATOM 3109 H2 TIP3 234 -5.614 -38.436 31.251 1.00 0.00 WAT1 ATOM 3110 OH2 TIP3 235 -3.563 -39.579 32.734 1.00 0.00 WAT1 ATOM 3111 H1 TIP3 235 -4.237 -40.246 32.546 1.00 0.00 WAT1 ATOM 3112 H2 TIP3 235 -2.874 -40.070 33.239 1.00 0.00 WAT1 ATOM 3113 OH2 TIP3 236 -9.249 -40.845 27.326 1.00 0.00 WAT1 ATOM 3114 H1 TIP3 236 -10.027 -40.281 27.148 1.00 0.00 WAT1 ATOM 3115 H2 TIP3 236 -8.591 -40.231 27.709 1.00 0.00 WAT1 ATOM 3116 OH2 TIP3 237 -8.617 -43.333 22.948 1.00 0.00 WAT1 ATOM 3117 H1 TIP3 237 -8.744 -43.381 23.919 1.00 0.00 WAT1 ATOM 3118 H2 TIP3 237 -7.875 -43.950 22.773 1.00 0.00 WAT1 ATOM 3119 OH2 TIP3 238 -2.888 -39.237 29.568 1.00 0.00 WAT1 ATOM 3120 H1 TIP3 238 -2.094 -39.759 29.815 1.00 0.00 WAT1 ATOM 3121 H2 TIP3 238 -3.537 -39.440 30.266 1.00 0.00 WAT1 ATOM 3122 OH2 TIP3 239 -7.200 -38.971 28.056 1.00 0.00 WAT1 ATOM 3123 H1 TIP3 239 -6.587 -39.231 27.334 1.00 0.00 WAT1 ATOM 3124 H2 TIP3 239 -7.110 -38.006 28.107 1.00 0.00 WAT1 ATOM 3125 OH2 TIP3 240 -4.294 -34.980 25.636 1.00 0.00 WAT1 ATOM 3126 H1 TIP3 240 -3.863 -34.216 26.077 1.00 0.00 WAT1 ATOM 3127 H2 TIP3 240 -3.747 -35.139 24.842 1.00 0.00 WAT1 ATOM 3128 OH2 TIP3 241 -6.528 -34.675 28.606 1.00 0.00 WAT1 ATOM 3129 H1 TIP3 241 -5.842 -35.336 28.369 1.00 0.00 WAT1 ATOM 3130 H2 TIP3 241 -6.891 -35.008 29.463 1.00 0.00 WAT1 ATOM 3131 OH2 TIP3 242 -9.001 -37.950 25.172 1.00 0.00 WAT1 ATOM 3132 H1 TIP3 242 -8.659 -37.412 25.930 1.00 0.00 WAT1 ATOM 3133 H2 TIP3 242 -8.306 -38.606 25.013 1.00 0.00 WAT1 ATOM 3134 OH2 TIP3 243 -7.677 -45.961 25.172 1.00 0.00 WAT1 ATOM 3135 H1 TIP3 243 -7.111 -45.357 25.696 1.00 0.00 WAT1 ATOM 3136 H2 TIP3 243 -8.530 -45.926 25.612 1.00 0.00 WAT1 ATOM 3137 OH2 TIP3 244 -8.871 -42.986 25.677 1.00 0.00 WAT1 ATOM 3138 H1 TIP3 244 -8.017 -43.375 25.961 1.00 0.00 WAT1 ATOM 3139 H2 TIP3 244 -9.022 -42.257 26.320 1.00 0.00 WAT1 ATOM 3140 OH2 TIP3 245 -11.201 -39.187 26.231 1.00 0.00 WAT1 ATOM 3141 H1 TIP3 245 -11.934 -38.568 26.314 1.00 0.00 WAT1 ATOM 3142 H2 TIP3 245 -10.493 -38.667 25.788 1.00 0.00 WAT1 ATOM 3143 OH2 TIP3 246 -6.384 -43.898 26.430 1.00 0.00 WAT1 ATOM 3144 H1 TIP3 246 -5.848 -43.515 25.700 1.00 0.00 WAT1 ATOM 3145 H2 TIP3 246 -5.784 -43.882 27.201 1.00 0.00 WAT1 ATOM 3146 OH2 TIP3 247 -7.376 -36.107 30.750 1.00 0.00 WAT1 ATOM 3147 H1 TIP3 247 -6.656 -36.614 31.193 1.00 0.00 WAT1 ATOM 3148 H2 TIP3 247 -8.170 -36.360 31.229 1.00 0.00 WAT1 ATOM 3149 OH2 TIP3 248 -4.909 -36.688 27.668 1.00 0.00 WAT1 ATOM 3150 H1 TIP3 248 -4.024 -36.967 27.970 1.00 0.00 WAT1 ATOM 3151 H2 TIP3 248 -4.730 -36.167 26.860 1.00 0.00 WAT1 ATOM 3152 OH2 TIP3 249 -9.850 -34.023 25.714 1.00 0.00 WAT1 ATOM 3153 H1 TIP3 249 -9.517 -34.393 24.870 1.00 0.00 WAT1 ATOM 3154 H2 TIP3 249 -10.804 -34.150 25.667 1.00 0.00 WAT1 ATOM 3155 OH2 TIP3 250 -3.441 -32.807 27.098 1.00 0.00 WAT1 ATOM 3156 H1 TIP3 250 -3.006 -32.050 27.506 1.00 0.00 WAT1 ATOM 3157 H2 TIP3 250 -4.393 -32.576 27.117 1.00 0.00 WAT1 ATOM 3158 OH2 TIP3 251 -8.301 -36.053 26.963 1.00 0.00 WAT1 ATOM 3159 H1 TIP3 251 -7.670 -35.646 27.586 1.00 0.00 WAT1 ATOM 3160 H2 TIP3 251 -8.862 -35.309 26.677 1.00 0.00 WAT1 ATOM 3161 OH2 TIP3 252 -3.857 -41.112 27.788 1.00 0.00 WAT1 ATOM 3162 H1 TIP3 252 -3.570 -40.432 28.436 1.00 0.00 WAT1 ATOM 3163 H2 TIP3 252 -4.581 -40.681 27.294 1.00 0.00 WAT1 ATOM 3164 OH2 TIP3 253 -2.341 -42.804 30.337 1.00 0.00 WAT1 ATOM 3165 H1 TIP3 253 -2.191 -43.415 31.063 1.00 0.00 WAT1 ATOM 3166 H2 TIP3 253 -3.120 -43.162 29.879 1.00 0.00 WAT1 ATOM 3167 OH2 TIP3 254 -1.913 -41.541 25.952 1.00 0.00 WAT1 ATOM 3168 H1 TIP3 254 -2.555 -41.429 26.686 1.00 0.00 WAT1 ATOM 3169 H2 TIP3 254 -1.036 -41.432 26.381 1.00 0.00 WAT1 ATOM 3170 OH2 TIP3 255 -5.656 -39.850 30.210 1.00 0.00 WAT1 ATOM 3171 H1 TIP3 255 -6.199 -39.515 29.468 1.00 0.00 WAT1 ATOM 3172 H2 TIP3 255 -5.951 -40.783 30.317 1.00 0.00 WAT1 ATOM 3173 OH2 TIP3 256 -5.074 -43.062 24.144 1.00 0.00 WAT1 ATOM 3174 H1 TIP3 256 -4.141 -43.359 24.172 1.00 0.00 WAT1 ATOM 3175 H2 TIP3 256 -5.524 -43.736 23.585 1.00 0.00 WAT1 ATOM 3176 OH2 TIP3 257 -1.264 -40.504 33.839 1.00 0.00 WAT1 ATOM 3177 H1 TIP3 257 -0.928 -39.688 33.421 1.00 0.00 WAT1 ATOM 3178 H2 TIP3 257 -0.539 -40.802 34.395 1.00 0.00 WAT1 ATOM 3179 OH2 TIP3 258 -2.949 -46.408 25.173 1.00 0.00 WAT1 ATOM 3180 H1 TIP3 258 -2.977 -47.002 24.391 1.00 0.00 WAT1 ATOM 3181 H2 TIP3 258 -2.912 -45.515 24.790 1.00 0.00 WAT1 ATOM 3182 OH2 TIP3 259 -1.397 -34.476 28.213 1.00 0.00 WAT1 ATOM 3183 H1 TIP3 259 -2.143 -33.969 27.854 1.00 0.00 WAT1 ATOM 3184 H2 TIP3 259 -1.733 -35.396 28.257 1.00 0.00 WAT1 ATOM 3185 OH2 TIP3 260 -0.476 -26.392 -15.132 1.00 0.00 WAT1 ATOM 3186 H1 TIP3 260 -1.452 -26.509 -15.193 1.00 0.00 WAT1 ATOM 3187 H2 TIP3 260 -0.156 -26.600 -16.034 1.00 0.00 WAT1 ATOM 3188 OH2 TIP3 261 -0.966 -23.706 -12.017 1.00 0.00 WAT1 ATOM 3189 H1 TIP3 261 -1.681 -24.352 -11.898 1.00 0.00 WAT1 ATOM 3190 H2 TIP3 261 -1.435 -22.880 -12.268 1.00 0.00 WAT1 ATOM 3191 OH2 TIP3 262 -4.107 -29.262 -16.106 1.00 0.00 WAT1 ATOM 3192 H1 TIP3 262 -3.595 -29.454 -16.905 1.00 0.00 WAT1 ATOM 3193 H2 TIP3 262 -4.842 -29.914 -16.127 1.00 0.00 WAT1 ATOM 3194 OH2 TIP3 263 -5.288 -14.717 -16.448 1.00 0.00 WAT1 ATOM 3195 H1 TIP3 263 -5.740 -15.399 -15.904 1.00 0.00 WAT1 ATOM 3196 H2 TIP3 263 -5.405 -15.035 -17.371 1.00 0.00 WAT1 ATOM 3197 OH2 TIP3 264 -0.447 -14.162 -15.558 1.00 0.00 WAT1 ATOM 3198 H1 TIP3 264 -0.062 -13.267 -15.463 1.00 0.00 WAT1 ATOM 3199 H2 TIP3 264 -1.326 -14.000 -15.965 1.00 0.00 WAT1 ATOM 3200 OH2 TIP3 265 -9.737 -14.215 -16.486 1.00 0.00 WAT1 ATOM 3201 H1 TIP3 265 -10.685 -13.964 -16.548 1.00 0.00 WAT1 ATOM 3202 H2 TIP3 265 -9.734 -14.988 -15.882 1.00 0.00 WAT1 ATOM 3203 OH2 TIP3 266 -3.205 -23.954 -14.668 1.00 0.00 WAT1 ATOM 3204 H1 TIP3 266 -3.027 -23.329 -15.404 1.00 0.00 WAT1 ATOM 3205 H2 TIP3 266 -3.270 -24.827 -15.105 1.00 0.00 WAT1 ATOM 3206 OH2 TIP3 267 -7.409 -12.978 -15.629 1.00 0.00 WAT1 ATOM 3207 H1 TIP3 267 -8.235 -13.440 -15.873 1.00 0.00 WAT1 ATOM 3208 H2 TIP3 267 -6.706 -13.515 -16.038 1.00 0.00 WAT1 ATOM 3209 OH2 TIP3 268 -2.400 -18.542 -11.631 1.00 0.00 WAT1 ATOM 3210 H1 TIP3 268 -3.248 -18.122 -11.352 1.00 0.00 WAT1 ATOM 3211 H2 TIP3 268 -2.558 -18.810 -12.549 1.00 0.00 WAT1 ATOM 3212 OH2 TIP3 269 -7.887 -13.982 -18.614 1.00 0.00 WAT1 ATOM 3213 H1 TIP3 269 -8.601 -14.287 -18.025 1.00 0.00 WAT1 ATOM 3214 H2 TIP3 269 -7.311 -14.762 -18.718 1.00 0.00 WAT1 ATOM 3215 OH2 TIP3 270 -4.304 -13.803 -13.801 1.00 0.00 WAT1 ATOM 3216 H1 TIP3 270 -4.741 -14.520 -13.288 1.00 0.00 WAT1 ATOM 3217 H2 TIP3 270 -4.471 -14.041 -14.728 1.00 0.00 WAT1 ATOM 3218 OH2 TIP3 271 -3.213 -26.802 -15.119 1.00 0.00 WAT1 ATOM 3219 H1 TIP3 271 -3.580 -27.568 -15.612 1.00 0.00 WAT1 ATOM 3220 H2 TIP3 271 -3.415 -27.007 -14.182 1.00 0.00 WAT1 ATOM 3221 OH2 TIP3 272 -4.692 -14.370 -20.846 1.00 0.00 WAT1 ATOM 3222 H1 TIP3 272 -4.719 -13.396 -20.743 1.00 0.00 WAT1 ATOM 3223 H2 TIP3 272 -4.646 -14.507 -21.797 1.00 0.00 WAT1 ATOM 3224 OH2 TIP3 273 -13.804 -13.619 -14.390 1.00 0.00 WAT1 ATOM 3225 H1 TIP3 273 -14.053 -14.546 -14.363 1.00 0.00 WAT1 ATOM 3226 H2 TIP3 273 -13.266 -13.538 -15.201 1.00 0.00 WAT1 ATOM 3227 OH2 TIP3 274 -5.894 -15.761 -12.726 1.00 0.00 WAT1 ATOM 3228 H1 TIP3 274 -6.610 -15.616 -12.075 1.00 0.00 WAT1 ATOM 3229 H2 TIP3 274 -6.351 -16.114 -13.515 1.00 0.00 WAT1 ATOM 3230 OH2 TIP3 275 -2.455 -21.777 -16.229 1.00 0.00 WAT1 ATOM 3231 H1 TIP3 275 -2.618 -20.831 -16.215 1.00 0.00 WAT1 ATOM 3232 H2 TIP3 275 -1.478 -21.853 -16.193 1.00 0.00 WAT1 ATOM 3233 OH2 TIP3 276 -1.141 -10.479 -17.271 1.00 0.00 WAT1 ATOM 3234 H1 TIP3 276 -1.517 -11.043 -17.980 1.00 0.00 WAT1 ATOM 3235 H2 TIP3 276 -0.429 -11.020 -16.887 1.00 0.00 WAT1 ATOM 3236 OH2 TIP3 277 -2.421 -12.139 -19.148 1.00 0.00 WAT1 ATOM 3237 H1 TIP3 277 -3.291 -11.860 -19.509 1.00 0.00 WAT1 ATOM 3238 H2 TIP3 277 -1.930 -12.439 -19.921 1.00 0.00 WAT1 ATOM 3239 OH2 TIP3 278 -5.841 -15.850 -18.890 1.00 0.00 WAT1 ATOM 3240 H1 TIP3 278 -5.396 -15.321 -19.597 1.00 0.00 WAT1 ATOM 3241 H2 TIP3 278 -5.904 -16.736 -19.264 1.00 0.00 WAT1 ATOM 3242 OH2 TIP3 279 0.222 -21.784 -15.575 1.00 0.00 WAT1 ATOM 3243 H1 TIP3 279 0.352 -22.599 -15.042 1.00 0.00 WAT1 ATOM 3244 H2 TIP3 279 1.067 -21.686 -16.068 1.00 0.00 WAT1 ATOM 3245 OH2 TIP3 280 -3.089 -24.191 -6.667 1.00 0.00 WAT1 ATOM 3246 H1 TIP3 280 -3.634 -24.261 -5.874 1.00 0.00 WAT1 ATOM 3247 H2 TIP3 280 -2.851 -25.128 -6.875 1.00 0.00 WAT1 ATOM 3248 OH2 TIP3 281 0.357 -29.189 -8.787 1.00 0.00 WAT1 ATOM 3249 H1 TIP3 281 -0.317 -29.693 -9.285 1.00 0.00 WAT1 ATOM 3250 H2 TIP3 281 1.024 -29.845 -8.563 1.00 0.00 WAT1 ATOM 3251 OH2 TIP3 282 -3.616 -24.729 -12.066 1.00 0.00 WAT1 ATOM 3252 H1 TIP3 282 -3.585 -25.708 -12.192 1.00 0.00 WAT1 ATOM 3253 H2 TIP3 282 -3.551 -24.369 -12.982 1.00 0.00 WAT1 ATOM 3254 OH2 TIP3 283 -12.390 -13.453 -16.823 1.00 0.00 WAT1 ATOM 3255 H1 TIP3 283 -12.858 -13.785 -17.599 1.00 0.00 WAT1 ATOM 3256 H2 TIP3 283 -12.363 -12.477 -16.958 1.00 0.00 WAT1 ATOM 3257 OH2 TIP3 284 -4.423 -29.953 -12.082 1.00 0.00 WAT1 ATOM 3258 H1 TIP3 284 -5.378 -29.876 -11.883 1.00 0.00 WAT1 ATOM 3259 H2 TIP3 284 -4.364 -30.728 -12.677 1.00 0.00 WAT1 ATOM 3260 OH2 TIP3 285 -7.174 -11.431 -19.064 1.00 0.00 WAT1 ATOM 3261 H1 TIP3 285 -7.302 -12.407 -18.990 1.00 0.00 WAT1 ATOM 3262 H2 TIP3 285 -8.019 -11.062 -18.737 1.00 0.00 WAT1 ATOM 3263 OH2 TIP3 286 -6.089 -10.706 -15.007 1.00 0.00 WAT1 ATOM 3264 H1 TIP3 286 -5.993 -10.254 -15.866 1.00 0.00 WAT1 ATOM 3265 H2 TIP3 286 -6.633 -11.499 -15.214 1.00 0.00 WAT1 ATOM 3266 OH2 TIP3 287 -2.818 -13.392 -16.720 1.00 0.00 WAT1 ATOM 3267 H1 TIP3 287 -2.749 -13.020 -17.626 1.00 0.00 WAT1 ATOM 3268 H2 TIP3 287 -3.679 -13.857 -16.714 1.00 0.00 WAT1 ATOM 3269 OH2 TIP3 288 -4.567 -32.595 -18.461 1.00 0.00 WAT1 ATOM 3270 H1 TIP3 288 -4.152 -31.948 -19.076 1.00 0.00 WAT1 ATOM 3271 H2 TIP3 288 -4.765 -33.379 -19.033 1.00 0.00 WAT1 ATOM 3272 OH2 TIP3 289 -3.424 -30.684 -20.053 1.00 0.00 WAT1 ATOM 3273 H1 TIP3 289 -3.889 -30.433 -20.856 1.00 0.00 WAT1 ATOM 3274 H2 TIP3 289 -2.540 -30.275 -20.148 1.00 0.00 WAT1 ATOM 3275 OH2 TIP3 290 -7.221 -17.478 -5.331 1.00 0.00 WAT1 ATOM 3276 H1 TIP3 290 -6.946 -17.388 -4.384 1.00 0.00 WAT1 ATOM 3277 H2 TIP3 290 -8.186 -17.520 -5.293 1.00 0.00 WAT1 ATOM 3278 OH2 TIP3 291 -4.071 -16.567 0.305 1.00 0.00 WAT1 ATOM 3279 H1 TIP3 291 -4.613 -17.277 -0.097 1.00 0.00 WAT1 ATOM 3280 H2 TIP3 291 -3.157 -16.917 0.270 1.00 0.00 WAT1 ATOM 3281 OH2 TIP3 292 -9.268 -16.616 3.646 1.00 0.00 WAT1 ATOM 3282 H1 TIP3 292 -10.044 -17.180 3.615 1.00 0.00 WAT1 ATOM 3283 H2 TIP3 292 -9.615 -15.720 3.463 1.00 0.00 WAT1 ATOM 3284 OH2 TIP3 293 -1.498 -32.247 -2.332 1.00 0.00 WAT1 ATOM 3285 H1 TIP3 293 -1.419 -31.490 -1.723 1.00 0.00 WAT1 ATOM 3286 H2 TIP3 293 -1.217 -31.889 -3.191 1.00 0.00 WAT1 ATOM 3287 OH2 TIP3 294 -8.574 -28.835 -4.823 1.00 0.00 WAT1 ATOM 3288 H1 TIP3 294 -7.744 -28.316 -4.800 1.00 0.00 WAT1 ATOM 3289 H2 TIP3 294 -8.980 -28.591 -5.680 1.00 0.00 WAT1 ATOM 3290 OH2 TIP3 295 -4.027 -30.739 1.760 1.00 0.00 WAT1 ATOM 3291 H1 TIP3 295 -4.216 -30.398 2.658 1.00 0.00 WAT1 ATOM 3292 H2 TIP3 295 -3.688 -29.953 1.273 1.00 0.00 WAT1 ATOM 3293 OH2 TIP3 296 -6.496 -17.119 -2.740 1.00 0.00 WAT1 ATOM 3294 H1 TIP3 296 -7.093 -16.351 -2.613 1.00 0.00 WAT1 ATOM 3295 H2 TIP3 296 -6.264 -17.398 -1.837 1.00 0.00 WAT1 ATOM 3296 OH2 TIP3 297 -6.243 -27.271 -4.729 1.00 0.00 WAT1 ATOM 3297 H1 TIP3 297 -6.289 -26.893 -3.826 1.00 0.00 WAT1 ATOM 3298 H2 TIP3 297 -5.461 -27.857 -4.704 1.00 0.00 WAT1 ATOM 3299 OH2 TIP3 298 -3.082 -28.452 0.654 1.00 0.00 WAT1 ATOM 3300 H1 TIP3 298 -2.975 -27.653 1.209 1.00 0.00 WAT1 ATOM 3301 H2 TIP3 298 -3.474 -28.113 -0.184 1.00 0.00 WAT1 ATOM 3302 OH2 TIP3 299 -12.002 -31.398 -2.950 1.00 0.00 WAT1 ATOM 3303 H1 TIP3 299 -12.347 -31.892 -2.193 1.00 0.00 WAT1 ATOM 3304 H2 TIP3 299 -12.706 -30.774 -3.168 1.00 0.00 WAT1 ATOM 3305 OH2 TIP3 300 -2.031 -20.588 3.566 1.00 0.00 WAT1 ATOM 3306 H1 TIP3 300 -2.188 -20.427 2.623 1.00 0.00 WAT1 ATOM 3307 H2 TIP3 300 -2.846 -20.266 3.999 1.00 0.00 WAT1 ATOM 3308 OH2 TIP3 301 -3.139 -26.174 2.366 1.00 0.00 WAT1 ATOM 3309 H1 TIP3 301 -2.790 -25.588 3.082 1.00 0.00 WAT1 ATOM 3310 H2 TIP3 301 -4.050 -26.351 2.633 1.00 0.00 WAT1 ATOM 3311 OH2 TIP3 302 -5.221 -23.180 -8.103 1.00 0.00 WAT1 ATOM 3312 H1 TIP3 302 -5.855 -23.633 -7.506 1.00 0.00 WAT1 ATOM 3313 H2 TIP3 302 -4.342 -23.450 -7.757 1.00 0.00 WAT1 ATOM 3314 OH2 TIP3 303 -5.999 -20.452 -8.603 1.00 0.00 WAT1 ATOM 3315 H1 TIP3 303 -5.680 -20.009 -7.791 1.00 0.00 WAT1 ATOM 3316 H2 TIP3 303 -5.798 -21.396 -8.456 1.00 0.00 WAT1 ATOM 3317 OH2 TIP3 304 -8.079 -14.952 -3.466 1.00 0.00 WAT1 ATOM 3318 H1 TIP3 304 -7.610 -14.800 -4.310 1.00 0.00 WAT1 ATOM 3319 H2 TIP3 304 -8.880 -14.397 -3.535 1.00 0.00 WAT1 ATOM 3320 OH2 TIP3 305 -4.220 -29.168 -4.012 1.00 0.00 WAT1 ATOM 3321 H1 TIP3 305 -4.860 -29.902 -3.892 1.00 0.00 WAT1 ATOM 3322 H2 TIP3 305 -4.091 -28.816 -3.107 1.00 0.00 WAT1 ATOM 3323 OH2 TIP3 306 -2.241 -16.301 4.613 1.00 0.00 WAT1 ATOM 3324 H1 TIP3 306 -3.191 -16.257 4.357 1.00 0.00 WAT1 ATOM 3325 H2 TIP3 306 -2.259 -16.504 5.557 1.00 0.00 WAT1 ATOM 3326 OH2 TIP3 307 -10.846 -14.268 6.111 1.00 0.00 WAT1 ATOM 3327 H1 TIP3 307 -9.944 -14.444 6.414 1.00 0.00 WAT1 ATOM 3328 H2 TIP3 307 -11.119 -13.479 6.624 1.00 0.00 WAT1 ATOM 3329 OH2 TIP3 308 -6.647 -14.841 -5.864 1.00 0.00 WAT1 ATOM 3330 H1 TIP3 308 -6.789 -15.809 -5.860 1.00 0.00 WAT1 ATOM 3331 H2 TIP3 308 -7.039 -14.546 -6.708 1.00 0.00 WAT1 ATOM 3332 OH2 TIP3 309 -6.829 -30.754 3.394 1.00 0.00 WAT1 ATOM 3333 H1 TIP3 309 -6.791 -31.501 2.777 1.00 0.00 WAT1 ATOM 3334 H2 TIP3 309 -7.151 -31.150 4.233 1.00 0.00 WAT1 ATOM 3335 OH2 TIP3 310 -7.091 -18.317 -9.887 1.00 0.00 WAT1 ATOM 3336 H1 TIP3 310 -6.674 -19.080 -9.417 1.00 0.00 WAT1 ATOM 3337 H2 TIP3 310 -7.933 -18.667 -10.197 1.00 0.00 WAT1 ATOM 3338 OH2 TIP3 311 -7.356 -28.776 -1.588 1.00 0.00 WAT1 ATOM 3339 H1 TIP3 311 -7.140 -29.316 -0.813 1.00 0.00 WAT1 ATOM 3340 H2 TIP3 311 -8.240 -29.098 -1.865 1.00 0.00 WAT1 ATOM 3341 OH2 TIP3 312 -4.706 -11.938 7.839 1.00 0.00 WAT1 ATOM 3342 H1 TIP3 312 -5.236 -11.484 7.153 1.00 0.00 WAT1 ATOM 3343 H2 TIP3 312 -4.936 -11.470 8.668 1.00 0.00 WAT1 ATOM 3344 OH2 TIP3 313 -1.462 -20.543 0.180 1.00 0.00 WAT1 ATOM 3345 H1 TIP3 313 -1.484 -19.559 0.236 1.00 0.00 WAT1 ATOM 3346 H2 TIP3 313 -2.393 -20.798 0.204 1.00 0.00 WAT1 ATOM 3347 OH2 TIP3 314 -5.676 -25.116 -10.213 1.00 0.00 WAT1 ATOM 3348 H1 TIP3 314 -5.046 -24.902 -10.934 1.00 0.00 WAT1 ATOM 3349 H2 TIP3 314 -5.574 -24.381 -9.582 1.00 0.00 WAT1 ATOM 3350 OH2 TIP3 315 -7.543 -15.558 -10.410 1.00 0.00 WAT1 ATOM 3351 H1 TIP3 315 -7.702 -15.021 -9.602 1.00 0.00 WAT1 ATOM 3352 H2 TIP3 315 -7.367 -16.458 -10.067 1.00 0.00 WAT1 ATOM 3353 OH2 TIP3 316 -7.073 -17.974 4.652 1.00 0.00 WAT1 ATOM 3354 H1 TIP3 316 -7.710 -17.459 4.107 1.00 0.00 WAT1 ATOM 3355 H2 TIP3 316 -7.569 -18.164 5.472 1.00 0.00 WAT1 ATOM 3356 OH2 TIP3 317 0.667 -21.245 2.872 1.00 0.00 WAT1 ATOM 3357 H1 TIP3 317 1.090 -21.502 3.701 1.00 0.00 WAT1 ATOM 3358 H2 TIP3 317 -0.244 -20.993 3.134 1.00 0.00 WAT1 ATOM 3359 OH2 TIP3 318 -5.449 -18.769 -0.608 1.00 0.00 WAT1 ATOM 3360 H1 TIP3 318 -5.038 -19.156 0.197 1.00 0.00 WAT1 ATOM 3361 H2 TIP3 318 -5.717 -19.534 -1.128 1.00 0.00 WAT1 ATOM 3362 OH2 TIP3 319 -12.287 -13.656 -1.919 1.00 0.00 WAT1 ATOM 3363 H1 TIP3 319 -12.012 -14.052 -1.055 1.00 0.00 WAT1 ATOM 3364 H2 TIP3 319 -13.171 -14.013 -2.071 1.00 0.00 WAT1 ATOM 3365 OH2 TIP3 320 -4.034 -19.453 1.671 1.00 0.00 WAT1 ATOM 3366 H1 TIP3 320 -4.412 -19.694 2.547 1.00 0.00 WAT1 ATOM 3367 H2 TIP3 320 -3.700 -18.554 1.800 1.00 0.00 WAT1 ATOM 3368 OH2 TIP3 321 -4.655 -17.293 -10.707 1.00 0.00 WAT1 ATOM 3369 H1 TIP3 321 -5.501 -17.691 -10.417 1.00 0.00 WAT1 ATOM 3370 H2 TIP3 321 -4.923 -16.603 -11.346 1.00 0.00 WAT1 ATOM 3371 OH2 TIP3 322 -7.588 -12.994 1.323 1.00 0.00 WAT1 ATOM 3372 H1 TIP3 322 -6.967 -13.728 1.548 1.00 0.00 WAT1 ATOM 3373 H2 TIP3 322 -8.086 -12.843 2.152 1.00 0.00 WAT1 ATOM 3374 OH2 TIP3 323 -5.208 -18.955 -6.439 1.00 0.00 WAT1 ATOM 3375 H1 TIP3 323 -5.952 -18.345 -6.224 1.00 0.00 WAT1 ATOM 3376 H2 TIP3 323 -5.046 -19.426 -5.613 1.00 0.00 WAT1 ATOM 3377 OH2 TIP3 324 -6.870 -16.576 -15.194 1.00 0.00 WAT1 ATOM 3378 H1 TIP3 324 -6.808 -17.475 -15.538 1.00 0.00 WAT1 ATOM 3379 H2 TIP3 324 -7.836 -16.431 -15.075 1.00 0.00 WAT1 ATOM 3380 OH2 TIP3 325 -8.249 -14.108 -8.052 1.00 0.00 WAT1 ATOM 3381 H1 TIP3 325 -8.483 -13.158 -8.014 1.00 0.00 WAT1 ATOM 3382 H2 TIP3 325 -8.949 -14.547 -7.517 1.00 0.00 WAT1 ATOM 3383 OH2 TIP3 326 -8.328 -29.715 -9.054 1.00 0.00 WAT1 ATOM 3384 H1 TIP3 326 -8.835 -29.138 -8.450 1.00 0.00 WAT1 ATOM 3385 H2 TIP3 326 -8.091 -30.479 -8.510 1.00 0.00 WAT1 ATOM 3386 OH2 TIP3 327 -10.199 -15.011 -6.306 1.00 0.00 WAT1 ATOM 3387 H1 TIP3 327 -11.026 -15.495 -6.370 1.00 0.00 WAT1 ATOM 3388 H2 TIP3 327 -10.283 -14.500 -5.470 1.00 0.00 WAT1 ATOM 3389 OH2 TIP3 328 -4.410 -30.020 4.470 1.00 0.00 WAT1 ATOM 3390 H1 TIP3 328 -4.363 -30.949 4.791 1.00 0.00 WAT1 ATOM 3391 H2 TIP3 328 -5.343 -29.918 4.180 1.00 0.00 WAT1 ATOM 3392 OH2 TIP3 329 -9.268 -14.887 -12.411 1.00 0.00 WAT1 ATOM 3393 H1 TIP3 329 -9.367 -13.918 -12.360 1.00 0.00 WAT1 ATOM 3394 H2 TIP3 329 -8.748 -15.117 -11.611 1.00 0.00 WAT1 ATOM 3395 OH2 TIP3 330 -7.610 -12.529 8.892 1.00 0.00 WAT1 ATOM 3396 H1 TIP3 330 -8.088 -13.333 9.215 1.00 0.00 WAT1 ATOM 3397 H2 TIP3 330 -6.727 -12.602 9.285 1.00 0.00 WAT1 ATOM 3398 OH2 TIP3 331 -9.542 -16.289 -14.665 1.00 0.00 WAT1 ATOM 3399 H1 TIP3 331 -9.479 -15.769 -13.821 1.00 0.00 WAT1 ATOM 3400 H2 TIP3 331 -10.234 -16.937 -14.490 1.00 0.00 WAT1 ATOM 3401 OH2 TIP3 332 -4.952 -16.274 4.345 1.00 0.00 WAT1 ATOM 3402 H1 TIP3 332 -4.824 -16.227 5.319 1.00 0.00 WAT1 ATOM 3403 H2 TIP3 332 -5.687 -16.913 4.237 1.00 0.00 WAT1 ATOM 3404 OH2 TIP3 333 -4.684 -19.677 4.363 1.00 0.00 WAT1 ATOM 3405 H1 TIP3 333 -5.513 -19.179 4.502 1.00 0.00 WAT1 ATOM 3406 H2 TIP3 333 -4.468 -20.035 5.256 1.00 0.00 WAT1 ATOM 3407 OH2 TIP3 334 -1.634 -20.588 -9.992 1.00 0.00 WAT1 ATOM 3408 H1 TIP3 334 -2.224 -21.352 -10.186 1.00 0.00 WAT1 ATOM 3409 H2 TIP3 334 -1.930 -19.892 -10.619 1.00 0.00 WAT1 ATOM 3410 OH2 TIP3 335 -2.782 -24.260 12.310 1.00 0.00 WAT1 ATOM 3411 H1 TIP3 335 -2.684 -23.849 11.440 1.00 0.00 WAT1 ATOM 3412 H2 TIP3 335 -2.795 -23.502 12.933 1.00 0.00 WAT1 ATOM 3413 OH2 TIP3 336 -5.397 -28.115 7.580 1.00 0.00 WAT1 ATOM 3414 H1 TIP3 336 -5.104 -28.994 7.277 1.00 0.00 WAT1 ATOM 3415 H2 TIP3 336 -6.345 -28.251 7.812 1.00 0.00 WAT1 ATOM 3416 OH2 TIP3 337 -10.414 -10.764 -9.988 1.00 0.00 WAT1 ATOM 3417 H1 TIP3 337 -11.341 -10.613 -10.288 1.00 0.00 WAT1 ATOM 3418 H2 TIP3 337 -9.994 -11.218 -10.742 1.00 0.00 WAT1 ATOM 3419 OH2 TIP3 338 -5.718 -14.950 1.971 1.00 0.00 WAT1 ATOM 3420 H1 TIP3 338 -5.086 -15.461 1.431 1.00 0.00 WAT1 ATOM 3421 H2 TIP3 338 -5.493 -15.193 2.891 1.00 0.00 WAT1 ATOM 3422 OH2 TIP3 339 -2.329 -17.900 7.903 1.00 0.00 WAT1 ATOM 3423 H1 TIP3 339 -2.760 -18.692 8.298 1.00 0.00 WAT1 ATOM 3424 H2 TIP3 339 -1.499 -18.248 7.511 1.00 0.00 WAT1 ATOM 3425 OH2 TIP3 340 -1.192 -22.341 -7.443 1.00 0.00 WAT1 ATOM 3426 H1 TIP3 340 -1.838 -22.978 -7.069 1.00 0.00 WAT1 ATOM 3427 H2 TIP3 340 -1.651 -21.960 -8.208 1.00 0.00 WAT1 ATOM 3428 OH2 TIP3 341 -1.547 -17.771 0.312 1.00 0.00 WAT1 ATOM 3429 H1 TIP3 341 -1.153 -17.758 1.219 1.00 0.00 WAT1 ATOM 3430 H2 TIP3 341 -1.214 -16.943 -0.102 1.00 0.00 WAT1 ATOM 3431 OH2 TIP3 342 -6.357 -25.006 -6.352 1.00 0.00 WAT1 ATOM 3432 H1 TIP3 342 -6.262 -25.692 -5.663 1.00 0.00 WAT1 ATOM 3433 H2 TIP3 342 -6.808 -25.471 -7.084 1.00 0.00 WAT1 ATOM 3434 OH2 TIP3 343 -2.121 -24.729 4.457 1.00 0.00 WAT1 ATOM 3435 H1 TIP3 343 -1.904 -23.875 4.891 1.00 0.00 WAT1 ATOM 3436 H2 TIP3 343 -2.571 -25.247 5.162 1.00 0.00 WAT1 ATOM 3437 OH2 TIP3 344 -3.142 -22.815 -9.960 1.00 0.00 WAT1 ATOM 3438 H1 TIP3 344 -4.034 -22.776 -9.577 1.00 0.00 WAT1 ATOM 3439 H2 TIP3 344 -3.258 -23.328 -10.785 1.00 0.00 WAT1 ATOM 3440 OH2 TIP3 345 -9.392 -27.787 -7.276 1.00 0.00 WAT1 ATOM 3441 H1 TIP3 345 -8.633 -27.280 -7.652 1.00 0.00 WAT1 ATOM 3442 H2 TIP3 345 -10.124 -27.160 -7.293 1.00 0.00 WAT1 ATOM 3443 OH2 TIP3 346 -7.247 -26.563 -8.426 1.00 0.00 WAT1 ATOM 3444 H1 TIP3 346 -6.642 -27.325 -8.526 1.00 0.00 WAT1 ATOM 3445 H2 TIP3 346 -6.985 -25.959 -9.151 1.00 0.00 WAT1 ATOM 3446 OH2 TIP3 347 -2.131 -28.974 5.650 1.00 0.00 WAT1 ATOM 3447 H1 TIP3 347 -2.931 -29.322 5.195 1.00 0.00 WAT1 ATOM 3448 H2 TIP3 347 -2.291 -29.167 6.593 1.00 0.00 WAT1 ATOM 3449 OH2 TIP3 348 -6.448 -10.405 6.334 1.00 0.00 WAT1 ATOM 3450 H1 TIP3 348 -6.696 -9.782 7.050 1.00 0.00 WAT1 ATOM 3451 H2 TIP3 348 -7.231 -10.987 6.245 1.00 0.00 WAT1 ATOM 3452 OH2 TIP3 349 -4.403 -32.696 4.862 1.00 0.00 WAT1 ATOM 3453 H1 TIP3 349 -4.560 -33.123 5.738 1.00 0.00 WAT1 ATOM 3454 H2 TIP3 349 -4.847 -33.295 4.223 1.00 0.00 WAT1 ATOM 3455 OH2 TIP3 350 -11.485 -14.661 0.499 1.00 0.00 WAT1 ATOM 3456 H1 TIP3 350 -11.443 -14.433 1.447 1.00 0.00 WAT1 ATOM 3457 H2 TIP3 350 -10.851 -15.378 0.402 1.00 0.00 WAT1 ATOM 3458 OH2 TIP3 351 -11.105 -11.248 -1.350 1.00 0.00 WAT1 ATOM 3459 H1 TIP3 351 -11.569 -12.083 -1.580 1.00 0.00 WAT1 ATOM 3460 H2 TIP3 351 -11.594 -10.907 -0.593 1.00 0.00 WAT1 ATOM 3461 OH2 TIP3 352 -9.439 -30.235 -2.645 1.00 0.00 WAT1 ATOM 3462 H1 TIP3 352 -10.346 -30.569 -2.785 1.00 0.00 WAT1 ATOM 3463 H2 TIP3 352 -9.218 -29.775 -3.493 1.00 0.00 WAT1 ATOM 3464 OH2 TIP3 353 -6.292 -30.809 -3.400 1.00 0.00 WAT1 ATOM 3465 H1 TIP3 353 -7.033 -31.204 -3.921 1.00 0.00 WAT1 ATOM 3466 H2 TIP3 353 -6.707 -30.067 -2.922 1.00 0.00 WAT1 ATOM 3467 OH2 TIP3 354 -7.957 -32.496 -4.688 1.00 0.00 WAT1 ATOM 3468 H1 TIP3 354 -7.615 -33.250 -5.215 1.00 0.00 WAT1 ATOM 3469 H2 TIP3 354 -8.928 -32.586 -4.750 1.00 0.00 WAT1 ATOM 3470 OH2 TIP3 355 -5.270 -27.915 -9.825 1.00 0.00 WAT1 ATOM 3471 H1 TIP3 355 -5.772 -28.436 -10.483 1.00 0.00 WAT1 ATOM 3472 H2 TIP3 355 -5.308 -27.000 -10.163 1.00 0.00 WAT1 ATOM 3473 OH2 TIP3 356 -7.756 -29.072 8.549 1.00 0.00 WAT1 ATOM 3474 H1 TIP3 356 -8.116 -28.731 9.390 1.00 0.00 WAT1 ATOM 3475 H2 TIP3 356 -8.071 -29.993 8.510 1.00 0.00 WAT1 ATOM 3476 OH2 TIP3 357 -3.585 -14.294 8.434 1.00 0.00 WAT1 ATOM 3477 H1 TIP3 357 -4.024 -13.459 8.130 1.00 0.00 WAT1 ATOM 3478 H2 TIP3 357 -2.635 -14.060 8.471 1.00 0.00 WAT1 ATOM 3479 OH2 TIP3 358 -6.819 -16.983 8.304 1.00 0.00 WAT1 ATOM 3480 H1 TIP3 358 -7.507 -17.415 7.759 1.00 0.00 WAT1 ATOM 3481 H2 TIP3 358 -6.055 -16.896 7.699 1.00 0.00 WAT1 ATOM 3482 OH2 TIP3 359 -6.868 -18.938 14.172 1.00 0.00 WAT1 ATOM 3483 H1 TIP3 359 -5.954 -18.835 14.531 1.00 0.00 WAT1 ATOM 3484 H2 TIP3 359 -7.368 -19.339 14.912 1.00 0.00 WAT1 ATOM 3485 OH2 TIP3 360 -7.501 -16.203 14.490 1.00 0.00 WAT1 ATOM 3486 H1 TIP3 360 -7.388 -17.105 14.127 1.00 0.00 WAT1 ATOM 3487 H2 TIP3 360 -6.969 -16.212 15.314 1.00 0.00 WAT1 ATOM 3488 OH2 TIP3 361 -6.180 -23.879 18.939 1.00 0.00 WAT1 ATOM 3489 H1 TIP3 361 -5.760 -24.768 18.906 1.00 0.00 WAT1 ATOM 3490 H2 TIP3 361 -7.110 -24.044 18.668 1.00 0.00 WAT1 ATOM 3491 OH2 TIP3 362 -4.508 -18.552 15.493 1.00 0.00 WAT1 ATOM 3492 H1 TIP3 362 -5.053 -17.934 16.030 1.00 0.00 WAT1 ATOM 3493 H2 TIP3 362 -3.732 -18.734 16.052 1.00 0.00 WAT1 ATOM 3494 OH2 TIP3 363 -10.356 -28.800 19.305 1.00 0.00 WAT1 ATOM 3495 H1 TIP3 363 -10.415 -28.569 20.264 1.00 0.00 WAT1 ATOM 3496 H2 TIP3 363 -10.718 -29.690 19.257 1.00 0.00 WAT1 ATOM 3497 OH2 TIP3 364 -5.105 -26.377 19.390 1.00 0.00 WAT1 ATOM 3498 H1 TIP3 364 -4.814 -26.145 20.299 1.00 0.00 WAT1 ATOM 3499 H2 TIP3 364 -5.406 -27.293 19.467 1.00 0.00 WAT1 ATOM 3500 OH2 TIP3 365 -7.987 -21.666 13.972 1.00 0.00 WAT1 ATOM 3501 H1 TIP3 365 -8.315 -21.333 14.833 1.00 0.00 WAT1 ATOM 3502 H2 TIP3 365 -7.724 -20.865 13.496 1.00 0.00 WAT1 ATOM 3503 OH2 TIP3 366 -3.822 -20.674 6.809 1.00 0.00 WAT1 ATOM 3504 H1 TIP3 366 -3.812 -20.476 7.768 1.00 0.00 WAT1 ATOM 3505 H2 TIP3 366 -3.285 -21.481 6.726 1.00 0.00 WAT1 ATOM 3506 OH2 TIP3 367 -5.230 -19.250 11.740 1.00 0.00 WAT1 ATOM 3507 H1 TIP3 367 -5.896 -19.064 12.426 1.00 0.00 WAT1 ATOM 3508 H2 TIP3 367 -4.514 -18.589 11.917 1.00 0.00 WAT1 ATOM 3509 OH2 TIP3 368 -1.125 -24.227 25.009 1.00 0.00 WAT1 ATOM 3510 H1 TIP3 368 -1.627 -24.723 24.323 1.00 0.00 WAT1 ATOM 3511 H2 TIP3 368 -0.322 -24.771 25.160 1.00 0.00 WAT1 ATOM 3512 OH2 TIP3 369 -5.341 -15.143 18.551 1.00 0.00 WAT1 ATOM 3513 H1 TIP3 369 -6.094 -14.527 18.378 1.00 0.00 WAT1 ATOM 3514 H2 TIP3 369 -5.383 -15.306 19.519 1.00 0.00 WAT1 ATOM 3515 OH2 TIP3 370 -4.952 -21.953 11.928 1.00 0.00 WAT1 ATOM 3516 H1 TIP3 370 -4.231 -21.931 12.587 1.00 0.00 WAT1 ATOM 3517 H2 TIP3 370 -5.092 -21.009 11.698 1.00 0.00 WAT1 ATOM 3518 OH2 TIP3 371 -2.732 -29.311 8.456 1.00 0.00 WAT1 ATOM 3519 H1 TIP3 371 -3.178 -28.678 9.054 1.00 0.00 WAT1 ATOM 3520 H2 TIP3 371 -3.453 -29.910 8.163 1.00 0.00 WAT1 ATOM 3521 OH2 TIP3 372 -2.120 -14.116 11.083 1.00 0.00 WAT1 ATOM 3522 H1 TIP3 372 -1.689 -13.630 10.358 1.00 0.00 WAT1 ATOM 3523 H2 TIP3 372 -1.985 -15.062 10.847 1.00 0.00 WAT1 ATOM 3524 OH2 TIP3 373 -10.561 -28.373 22.010 1.00 0.00 WAT1 ATOM 3525 H1 TIP3 373 -10.178 -27.550 22.367 1.00 0.00 WAT1 ATOM 3526 H2 TIP3 373 -10.659 -28.944 22.792 1.00 0.00 WAT1 ATOM 3527 OH2 TIP3 374 -3.510 -19.814 9.470 1.00 0.00 WAT1 ATOM 3528 H1 TIP3 374 -4.191 -19.614 10.143 1.00 0.00 WAT1 ATOM 3529 H2 TIP3 374 -2.679 -19.890 9.984 1.00 0.00 WAT1 ATOM 3530 OH2 TIP3 375 -6.976 -23.668 12.351 1.00 0.00 WAT1 ATOM 3531 H1 TIP3 375 -7.624 -23.073 12.780 1.00 0.00 WAT1 ATOM 3532 H2 TIP3 375 -6.230 -23.067 12.103 1.00 0.00 WAT1 ATOM 3533 OH2 TIP3 376 -8.090 -23.866 23.364 1.00 0.00 WAT1 ATOM 3534 H1 TIP3 376 -8.142 -23.042 23.889 1.00 0.00 WAT1 ATOM 3535 H2 TIP3 376 -7.395 -23.685 22.700 1.00 0.00 WAT1 ATOM 3536 OH2 TIP3 377 -8.766 -21.647 18.627 1.00 0.00 WAT1 ATOM 3537 H1 TIP3 377 -8.866 -22.620 18.547 1.00 0.00 WAT1 ATOM 3538 H2 TIP3 377 -9.126 -21.445 19.496 1.00 0.00 WAT1 ATOM 3539 OH2 TIP3 378 -5.395 -21.264 19.217 1.00 0.00 WAT1 ATOM 3540 H1 TIP3 378 -5.633 -22.216 19.127 1.00 0.00 WAT1 ATOM 3541 H2 TIP3 378 -6.204 -20.850 19.548 1.00 0.00 WAT1 ATOM 3542 OH2 TIP3 379 -8.838 -24.489 18.696 1.00 0.00 WAT1 ATOM 3543 H1 TIP3 379 -8.595 -25.055 19.462 1.00 0.00 WAT1 ATOM 3544 H2 TIP3 379 -9.600 -24.962 18.289 1.00 0.00 WAT1 ATOM 3545 OH2 TIP3 380 -3.364 -14.906 25.366 1.00 0.00 WAT1 ATOM 3546 H1 TIP3 380 -3.741 -14.286 24.714 1.00 0.00 WAT1 ATOM 3547 H2 TIP3 380 -4.079 -15.562 25.516 1.00 0.00 WAT1 ATOM 3548 OH2 TIP3 381 -11.462 -17.750 11.306 1.00 0.00 WAT1 ATOM 3549 H1 TIP3 381 -11.744 -18.671 11.359 1.00 0.00 WAT1 ATOM 3550 H2 TIP3 381 -12.248 -17.278 10.955 1.00 0.00 WAT1 ATOM 3551 OH2 TIP3 382 -2.341 -19.512 16.941 1.00 0.00 WAT1 ATOM 3552 H1 TIP3 382 -1.698 -18.845 16.628 1.00 0.00 WAT1 ATOM 3553 H2 TIP3 382 -1.803 -20.112 17.498 1.00 0.00 WAT1 ATOM 3554 OH2 TIP3 383 -5.092 -25.600 11.547 1.00 0.00 WAT1 ATOM 3555 H1 TIP3 383 -5.868 -25.103 11.871 1.00 0.00 WAT1 ATOM 3556 H2 TIP3 383 -4.329 -25.098 11.890 1.00 0.00 WAT1 ATOM 3557 OH2 TIP3 384 -2.934 -21.873 13.779 1.00 0.00 WAT1 ATOM 3558 H1 TIP3 384 -2.226 -21.212 13.610 1.00 0.00 WAT1 ATOM 3559 H2 TIP3 384 -3.338 -21.578 14.611 1.00 0.00 WAT1 ATOM 3560 OH2 TIP3 385 -5.502 -15.232 21.279 1.00 0.00 WAT1 ATOM 3561 H1 TIP3 385 -6.424 -14.889 21.365 1.00 0.00 WAT1 ATOM 3562 H2 TIP3 385 -5.460 -15.965 21.933 1.00 0.00 WAT1 ATOM 3563 OH2 TIP3 386 -4.353 -21.379 16.686 1.00 0.00 WAT1 ATOM 3564 H1 TIP3 386 -4.766 -21.276 17.573 1.00 0.00 WAT1 ATOM 3565 H2 TIP3 386 -3.729 -20.626 16.627 1.00 0.00 WAT1 ATOM 3566 OH2 TIP3 387 -14.625 -16.166 13.318 1.00 0.00 WAT1 ATOM 3567 H1 TIP3 387 -14.852 -15.216 13.484 1.00 0.00 WAT1 ATOM 3568 H2 TIP3 387 -15.190 -16.653 13.930 1.00 0.00 WAT1 ATOM 3569 OH2 TIP3 388 -13.847 -16.519 10.727 1.00 0.00 WAT1 ATOM 3570 H1 TIP3 388 -14.160 -16.328 11.642 1.00 0.00 WAT1 ATOM 3571 H2 TIP3 388 -14.643 -16.810 10.262 1.00 0.00 WAT1 ATOM 3572 OH2 TIP3 389 -15.080 -13.541 13.706 1.00 0.00 WAT1 ATOM 3573 H1 TIP3 389 -15.663 -12.783 13.806 1.00 0.00 WAT1 ATOM 3574 H2 TIP3 389 -14.209 -13.149 13.470 1.00 0.00 WAT1 ATOM 3575 OH2 TIP3 390 -6.234 -16.971 16.805 1.00 0.00 WAT1 ATOM 3576 H1 TIP3 390 -7.079 -17.273 17.197 1.00 0.00 WAT1 ATOM 3577 H2 TIP3 390 -5.874 -16.337 17.468 1.00 0.00 WAT1 ATOM 3578 OH2 TIP3 391 -3.207 -18.386 23.253 1.00 0.00 WAT1 ATOM 3579 H1 TIP3 391 -4.055 -17.904 23.153 1.00 0.00 WAT1 ATOM 3580 H2 TIP3 391 -3.163 -18.957 22.457 1.00 0.00 WAT1 ATOM 3581 OH2 TIP3 392 -1.029 -13.234 8.594 1.00 0.00 WAT1 ATOM 3582 H1 TIP3 392 -0.101 -13.046 8.329 1.00 0.00 WAT1 ATOM 3583 H2 TIP3 392 -1.429 -12.339 8.700 1.00 0.00 WAT1 ATOM 3584 OH2 TIP3 393 -10.937 -16.633 7.575 1.00 0.00 WAT1 ATOM 3585 H1 TIP3 393 -11.241 -16.139 8.363 1.00 0.00 WAT1 ATOM 3586 H2 TIP3 393 -11.198 -16.065 6.827 1.00 0.00 WAT1 ATOM 3587 OH2 TIP3 394 -11.974 -14.898 9.497 1.00 0.00 WAT1 ATOM 3588 H1 TIP3 394 -12.356 -13.995 9.447 1.00 0.00 WAT1 ATOM 3589 H2 TIP3 394 -12.665 -15.423 9.951 1.00 0.00 WAT1 ATOM 3590 OH2 TIP3 395 -8.080 -26.340 20.637 1.00 0.00 WAT1 ATOM 3591 H1 TIP3 395 -7.368 -26.952 20.911 1.00 0.00 WAT1 ATOM 3592 H2 TIP3 395 -8.633 -26.252 21.433 1.00 0.00 WAT1 ATOM 3593 OH2 TIP3 396 -4.698 -27.760 13.666 1.00 0.00 WAT1 ATOM 3594 H1 TIP3 396 -5.508 -27.325 13.323 1.00 0.00 WAT1 ATOM 3595 H2 TIP3 396 -4.796 -28.687 13.387 1.00 0.00 WAT1 ATOM 3596 OH2 TIP3 397 -9.220 -14.532 9.660 1.00 0.00 WAT1 ATOM 3597 H1 TIP3 397 -9.021 -15.419 10.015 1.00 0.00 WAT1 ATOM 3598 H2 TIP3 397 -10.196 -14.518 9.594 1.00 0.00 WAT1 ATOM 3599 OH2 TIP3 398 -8.020 -25.289 10.345 1.00 0.00 WAT1 ATOM 3600 H1 TIP3 398 -7.312 -25.136 9.712 1.00 0.00 WAT1 ATOM 3601 H2 TIP3 398 -7.791 -24.719 11.105 1.00 0.00 WAT1 ATOM 3602 OH2 TIP3 399 -5.900 -23.687 21.674 1.00 0.00 WAT1 ATOM 3603 H1 TIP3 399 -6.065 -23.719 20.709 1.00 0.00 WAT1 ATOM 3604 H2 TIP3 399 -5.365 -24.504 21.851 1.00 0.00 WAT1 ATOM 3605 OH2 TIP3 400 -8.802 -27.793 10.881 1.00 0.00 WAT1 ATOM 3606 H1 TIP3 400 -9.761 -27.720 10.887 1.00 0.00 WAT1 ATOM 3607 H2 TIP3 400 -8.494 -26.884 10.642 1.00 0.00 WAT1 ATOM 3608 OH2 TIP3 401 -13.034 -12.355 9.574 1.00 0.00 WAT1 ATOM 3609 H1 TIP3 401 -13.880 -11.892 9.588 1.00 0.00 WAT1 ATOM 3610 H2 TIP3 401 -12.482 -11.870 10.231 1.00 0.00 WAT1 ATOM 3611 OH2 TIP3 402 -8.331 -20.152 16.304 1.00 0.00 WAT1 ATOM 3612 H1 TIP3 402 -8.451 -20.760 17.068 1.00 0.00 WAT1 ATOM 3613 H2 TIP3 402 -8.560 -19.271 16.668 1.00 0.00 WAT1 ATOM 3614 OH2 TIP3 403 -8.643 -12.054 6.419 1.00 0.00 WAT1 ATOM 3615 H1 TIP3 403 -9.587 -11.950 6.656 1.00 0.00 WAT1 ATOM 3616 H2 TIP3 403 -8.213 -12.315 7.267 1.00 0.00 WAT1 ATOM 3617 OH2 TIP3 404 -5.724 -17.246 23.198 1.00 0.00 WAT1 ATOM 3618 H1 TIP3 404 -6.227 -18.096 23.151 1.00 0.00 WAT1 ATOM 3619 H2 TIP3 404 -5.764 -16.998 24.143 1.00 0.00 WAT1 ATOM 3620 OH2 TIP3 405 -4.417 -16.426 7.000 1.00 0.00 WAT1 ATOM 3621 H1 TIP3 405 -4.181 -15.586 7.454 1.00 0.00 WAT1 ATOM 3622 H2 TIP3 405 -3.744 -17.068 7.324 1.00 0.00 WAT1 ATOM 3623 OH2 TIP3 406 -8.813 -18.217 6.872 1.00 0.00 WAT1 ATOM 3624 H1 TIP3 406 -9.215 -19.088 6.965 1.00 0.00 WAT1 ATOM 3625 H2 TIP3 406 -9.551 -17.590 7.068 1.00 0.00 WAT1 ATOM 3626 OH2 TIP3 407 -3.457 -20.139 21.136 1.00 0.00 WAT1 ATOM 3627 H1 TIP3 407 -3.940 -20.392 20.332 1.00 0.00 WAT1 ATOM 3628 H2 TIP3 407 -3.840 -20.714 21.835 1.00 0.00 WAT1 ATOM 3629 OH2 TIP3 408 -4.732 -21.635 23.006 1.00 0.00 WAT1 ATOM 3630 H1 TIP3 408 -4.484 -22.165 23.788 1.00 0.00 WAT1 ATOM 3631 H2 TIP3 408 -5.182 -22.281 22.417 1.00 0.00 WAT1 ATOM 3632 OH2 TIP3 409 -1.624 -22.314 5.808 1.00 0.00 WAT1 ATOM 3633 H1 TIP3 409 -1.167 -21.861 6.552 1.00 0.00 WAT1 ATOM 3634 H2 TIP3 409 -1.669 -21.638 5.107 1.00 0.00 WAT1 ATOM 3635 OH2 TIP3 410 -4.947 -24.450 27.030 1.00 0.00 WAT1 ATOM 3636 H1 TIP3 410 -4.874 -24.141 26.094 1.00 0.00 WAT1 ATOM 3637 H2 TIP3 410 -5.173 -25.404 26.947 1.00 0.00 WAT1 ATOM 3638 OH2 TIP3 411 -2.247 -23.954 27.450 1.00 0.00 WAT1 ATOM 3639 H1 TIP3 411 -1.831 -24.130 26.572 1.00 0.00 WAT1 ATOM 3640 H2 TIP3 411 -3.135 -24.361 27.377 1.00 0.00 WAT1 ATOM 3641 OH2 TIP3 412 -9.163 -26.354 23.376 1.00 0.00 WAT1 ATOM 3642 H1 TIP3 412 -8.855 -25.414 23.365 1.00 0.00 WAT1 ATOM 3643 H2 TIP3 412 -9.363 -26.526 24.314 1.00 0.00 WAT1 ATOM 3644 OH2 TIP3 413 -9.265 -27.167 26.192 1.00 0.00 WAT1 ATOM 3645 H1 TIP3 413 -9.301 -26.305 26.643 1.00 0.00 WAT1 ATOM 3646 H2 TIP3 413 -8.873 -27.766 26.861 1.00 0.00 WAT1 ATOM 3647 OH2 TIP3 414 -11.287 -11.033 11.191 1.00 0.00 WAT1 ATOM 3648 H1 TIP3 414 -10.827 -10.711 12.000 1.00 0.00 WAT1 ATOM 3649 H2 TIP3 414 -10.668 -10.805 10.464 1.00 0.00 WAT1 ATOM 3650 OH2 TIP3 415 -3.192 -17.570 12.138 1.00 0.00 WAT1 ATOM 3651 H1 TIP3 415 -2.606 -17.236 11.431 1.00 0.00 WAT1 ATOM 3652 H2 TIP3 415 -2.720 -17.344 12.965 1.00 0.00 WAT1 ATOM 3653 OH2 TIP3 416 -2.160 -26.859 13.033 1.00 0.00 WAT1 ATOM 3654 H1 TIP3 416 -2.327 -25.935 12.744 1.00 0.00 WAT1 ATOM 3655 H2 TIP3 416 -3.056 -27.212 13.231 1.00 0.00 WAT1 ATOM 3656 OH2 TIP3 417 -3.419 -26.439 6.177 1.00 0.00 WAT1 ATOM 3657 H1 TIP3 417 -2.908 -27.238 5.961 1.00 0.00 WAT1 ATOM 3658 H2 TIP3 417 -4.197 -26.776 6.658 1.00 0.00 WAT1 ATOM 3659 OH2 TIP3 418 -8.866 -17.673 17.413 1.00 0.00 WAT1 ATOM 3660 H1 TIP3 418 -9.339 -17.553 18.244 1.00 0.00 WAT1 ATOM 3661 H2 TIP3 418 -9.326 -17.070 16.785 1.00 0.00 WAT1 ATOM 3662 OH2 TIP3 419 -7.955 -14.112 21.223 1.00 0.00 WAT1 ATOM 3663 H1 TIP3 419 -8.818 -14.441 20.954 1.00 0.00 WAT1 ATOM 3664 H2 TIP3 419 -7.895 -13.226 20.805 1.00 0.00 WAT1 ATOM 3665 OH2 TIP3 420 -4.070 -12.928 20.706 1.00 0.00 WAT1 ATOM 3666 H1 TIP3 420 -4.514 -13.802 20.764 1.00 0.00 WAT1 ATOM 3667 H2 TIP3 420 -4.239 -12.634 19.782 1.00 0.00 WAT1 ATOM 3668 OH2 TIP3 421 -11.816 -15.974 13.528 1.00 0.00 WAT1 ATOM 3669 H1 TIP3 421 -11.540 -16.560 12.800 1.00 0.00 WAT1 ATOM 3670 H2 TIP3 421 -12.787 -16.069 13.557 1.00 0.00 WAT1 ATOM 3671 OH2 TIP3 422 -10.836 -26.273 18.151 1.00 0.00 WAT1 ATOM 3672 H1 TIP3 422 -11.780 -26.330 17.985 1.00 0.00 WAT1 ATOM 3673 H2 TIP3 422 -10.601 -27.154 18.507 1.00 0.00 WAT1 ATOM 3674 OH2 TIP3 423 -7.334 -26.893 13.281 1.00 0.00 WAT1 ATOM 3675 H1 TIP3 423 -7.599 -27.457 14.045 1.00 0.00 WAT1 ATOM 3676 H2 TIP3 423 -7.832 -27.261 12.529 1.00 0.00 WAT1 ATOM 3677 OH2 TIP3 424 -4.450 -27.904 10.182 1.00 0.00 WAT1 ATOM 3678 H1 TIP3 424 -4.671 -27.080 10.676 1.00 0.00 WAT1 ATOM 3679 H2 TIP3 424 -4.908 -27.796 9.321 1.00 0.00 WAT1 ATOM 3680 OH2 TIP3 425 -11.073 -11.988 7.695 1.00 0.00 WAT1 ATOM 3681 H1 TIP3 425 -11.891 -12.118 8.217 1.00 0.00 WAT1 ATOM 3682 H2 TIP3 425 -10.553 -11.345 8.224 1.00 0.00 WAT1 ATOM 3683 OH2 TIP3 426 -7.411 -28.891 23.912 1.00 0.00 WAT1 ATOM 3684 H1 TIP3 426 -8.298 -29.302 23.898 1.00 0.00 WAT1 ATOM 3685 H2 TIP3 426 -7.589 -27.961 24.122 1.00 0.00 WAT1 ATOM 3686 OH2 TIP3 427 -1.744 -17.336 25.336 1.00 0.00 WAT1 ATOM 3687 H1 TIP3 427 -2.256 -17.662 24.567 1.00 0.00 WAT1 ATOM 3688 H2 TIP3 427 -2.064 -16.425 25.463 1.00 0.00 WAT1 ATOM 3689 OH2 TIP3 428 -7.224 -14.759 36.058 1.00 0.00 WAT1 ATOM 3690 H1 TIP3 428 -7.227 -15.330 36.827 1.00 0.00 WAT1 ATOM 3691 H2 TIP3 428 -7.767 -14.012 36.313 1.00 0.00 WAT1 ATOM 3692 OH2 TIP3 429 -6.974 -19.601 26.520 1.00 0.00 WAT1 ATOM 3693 H1 TIP3 429 -6.045 -19.592 26.211 1.00 0.00 WAT1 ATOM 3694 H2 TIP3 429 -7.108 -18.723 26.892 1.00 0.00 WAT1 ATOM 3695 OH2 TIP3 430 -8.169 -21.527 24.954 1.00 0.00 WAT1 ATOM 3696 H1 TIP3 430 -7.787 -20.845 25.554 1.00 0.00 WAT1 ATOM 3697 H2 TIP3 430 -8.704 -22.096 25.553 1.00 0.00 WAT1 ATOM 3698 OH2 TIP3 431 -8.885 -25.254 28.384 1.00 0.00 WAT1 ATOM 3699 H1 TIP3 431 -7.954 -25.094 28.657 1.00 0.00 WAT1 ATOM 3700 H2 TIP3 431 -9.293 -25.648 29.164 1.00 0.00 WAT1 ATOM 3701 OH2 TIP3 432 -9.569 -23.090 26.742 1.00 0.00 WAT1 ATOM 3702 H1 TIP3 432 -9.297 -23.850 27.295 1.00 0.00 WAT1 ATOM 3703 H2 TIP3 432 -10.400 -22.802 27.128 1.00 0.00 WAT1 ATOM 3704 OH2 TIP3 433 -6.061 -29.674 26.234 1.00 0.00 WAT1 ATOM 3705 H1 TIP3 433 -6.009 -30.640 26.380 1.00 0.00 WAT1 ATOM 3706 H2 TIP3 433 -6.422 -29.587 25.325 1.00 0.00 WAT1 ATOM 3707 OH2 TIP3 434 -1.950 -13.900 22.325 1.00 0.00 WAT1 ATOM 3708 H1 TIP3 434 -2.450 -13.401 21.655 1.00 0.00 WAT1 ATOM 3709 H2 TIP3 434 -2.296 -13.578 23.168 1.00 0.00 WAT1 ATOM 3710 OH2 TIP3 435 -6.439 -29.400 29.986 1.00 0.00 WAT1 ATOM 3711 H1 TIP3 435 -6.628 -30.271 30.349 1.00 0.00 WAT1 ATOM 3712 H2 TIP3 435 -7.194 -29.219 29.387 1.00 0.00 WAT1 ATOM 3713 OH2 TIP3 436 -6.287 -24.912 29.375 1.00 0.00 WAT1 ATOM 3714 H1 TIP3 436 -5.819 -25.744 29.607 1.00 0.00 WAT1 ATOM 3715 H2 TIP3 436 -5.798 -24.574 28.593 1.00 0.00 WAT1 ATOM 3716 OH2 TIP3 437 -3.873 -21.707 27.286 1.00 0.00 WAT1 ATOM 3717 H1 TIP3 437 -3.138 -22.347 27.379 1.00 0.00 WAT1 ATOM 3718 H2 TIP3 437 -4.669 -22.263 27.282 1.00 0.00 WAT1 ATOM 3719 OH2 TIP3 438 -4.083 -17.194 28.459 1.00 0.00 WAT1 ATOM 3720 H1 TIP3 438 -3.169 -16.846 28.436 1.00 0.00 WAT1 ATOM 3721 H2 TIP3 438 -3.981 -18.100 28.807 1.00 0.00 WAT1 ATOM 3722 OH2 TIP3 439 -1.469 -16.421 28.376 1.00 0.00 WAT1 ATOM 3723 H1 TIP3 439 -1.392 -15.841 29.165 1.00 0.00 WAT1 ATOM 3724 H2 TIP3 439 -0.845 -16.024 27.729 1.00 0.00 WAT1 ATOM 3725 OH2 TIP3 440 -1.416 -11.489 26.898 1.00 0.00 WAT1 ATOM 3726 H1 TIP3 440 -0.937 -11.983 26.196 1.00 0.00 WAT1 ATOM 3727 H2 TIP3 440 -2.096 -12.129 27.218 1.00 0.00 WAT1 ATOM 3728 OH2 TIP3 441 -4.373 -19.502 25.616 1.00 0.00 WAT1 ATOM 3729 H1 TIP3 441 -3.999 -20.244 26.137 1.00 0.00 WAT1 ATOM 3730 H2 TIP3 441 -3.796 -19.441 24.834 1.00 0.00 WAT1 ATOM 3731 OH2 TIP3 442 -5.132 -16.911 25.965 1.00 0.00 WAT1 ATOM 3732 H1 TIP3 442 -4.818 -17.824 25.782 1.00 0.00 WAT1 ATOM 3733 H2 TIP3 442 -4.969 -16.798 26.930 1.00 0.00 WAT1 ATOM 3734 OH2 TIP3 443 -6.775 -19.777 23.230 1.00 0.00 WAT1 ATOM 3735 H1 TIP3 443 -7.428 -20.280 23.753 1.00 0.00 WAT1 ATOM 3736 H2 TIP3 443 -5.995 -20.365 23.195 1.00 0.00 WAT1 ATOM 3737 OH2 TIP3 444 -5.892 -22.983 31.323 1.00 0.00 WAT1 ATOM 3738 H1 TIP3 444 -6.145 -23.574 30.584 1.00 0.00 WAT1 ATOM 3739 H2 TIP3 444 -5.620 -23.583 32.020 1.00 0.00 WAT1 ATOM 3740 OH2 TIP3 445 -4.814 -27.236 29.679 1.00 0.00 WAT1 ATOM 3741 H1 TIP3 445 -3.878 -27.411 29.922 1.00 0.00 WAT1 ATOM 3742 H2 TIP3 445 -5.293 -28.049 29.963 1.00 0.00 WAT1 ATOM 3743 OH2 TIP3 446 -2.081 -27.875 29.998 1.00 0.00 WAT1 ATOM 3744 H1 TIP3 446 -1.774 -28.635 29.494 1.00 0.00 WAT1 ATOM 3745 H2 TIP3 446 -1.472 -27.842 30.775 1.00 0.00 WAT1 ATOM 3746 OH2 TIP3 447 -5.312 -27.138 27.008 1.00 0.00 WAT1 ATOM 3747 H1 TIP3 447 -5.148 -27.240 27.973 1.00 0.00 WAT1 ATOM 3748 H2 TIP3 447 -5.557 -28.039 26.710 1.00 0.00 WAT1 ATOM 3749 OH2 TIP3 448 -4.678 -23.987 24.427 1.00 0.00 WAT1 ATOM 3750 H1 TIP3 448 -3.973 -24.579 24.054 1.00 0.00 WAT1 ATOM 3751 H2 TIP3 448 -5.457 -24.187 23.891 1.00 0.00 WAT1 ATOM 3752 OH2 TIP3 449 -1.259 -14.357 30.127 1.00 0.00 WAT1 ATOM 3753 H1 TIP3 449 -1.546 -13.908 30.928 1.00 0.00 WAT1 ATOM 3754 H2 TIP3 449 -0.657 -13.713 29.691 1.00 0.00 WAT1 ATOM 3755 OH2 TIP3 450 -0.131 -6.392 -18.427 1.00 0.00 WAT1 ATOM 3756 H1 TIP3 450 0.749 -6.512 -18.796 1.00 0.00 WAT1 ATOM 3757 H2 TIP3 450 -0.350 -5.476 -18.626 1.00 0.00 WAT1 ATOM 3758 OH2 TIP3 451 -4.840 -11.604 -20.474 1.00 0.00 WAT1 ATOM 3759 H1 TIP3 451 -5.684 -11.551 -19.965 1.00 0.00 WAT1 ATOM 3760 H2 TIP3 451 -4.891 -10.864 -21.090 1.00 0.00 WAT1 ATOM 3761 OH2 TIP3 452 -9.435 -7.213 -13.273 1.00 0.00 WAT1 ATOM 3762 H1 TIP3 452 -9.143 -6.791 -12.437 1.00 0.00 WAT1 ATOM 3763 H2 TIP3 452 -8.639 -7.188 -13.843 1.00 0.00 WAT1 ATOM 3764 OH2 TIP3 453 -7.285 -7.389 -14.988 1.00 0.00 WAT1 ATOM 3765 H1 TIP3 453 -7.793 -7.764 -15.737 1.00 0.00 WAT1 ATOM 3766 H2 TIP3 453 -6.443 -7.113 -15.388 1.00 0.00 WAT1 ATOM 3767 OH2 TIP3 454 -11.864 -7.732 -12.115 1.00 0.00 WAT1 ATOM 3768 H1 TIP3 454 -11.044 -7.520 -12.617 1.00 0.00 WAT1 ATOM 3769 H2 TIP3 454 -11.597 -7.649 -11.179 1.00 0.00 WAT1 ATOM 3770 OH2 TIP3 455 -8.959 -6.282 -10.729 1.00 0.00 WAT1 ATOM 3771 H1 TIP3 455 -9.247 -5.360 -10.548 1.00 0.00 WAT1 ATOM 3772 H2 TIP3 455 -9.616 -6.836 -10.246 1.00 0.00 WAT1 ATOM 3773 OH2 TIP3 456 -11.184 -2.132 -11.836 1.00 0.00 WAT1 ATOM 3774 H1 TIP3 456 -10.888 -1.244 -12.065 1.00 0.00 WAT1 ATOM 3775 H2 TIP3 456 -11.815 -2.359 -12.528 1.00 0.00 WAT1 ATOM 3776 OH2 TIP3 457 -6.126 -9.408 -17.504 1.00 0.00 WAT1 ATOM 3777 H1 TIP3 457 -6.266 -10.139 -18.140 1.00 0.00 WAT1 ATOM 3778 H2 TIP3 457 -6.992 -8.948 -17.476 1.00 0.00 WAT1 ATOM 3779 OH2 TIP3 458 -11.410 -8.708 -15.899 1.00 0.00 WAT1 ATOM 3780 H1 TIP3 458 -12.227 -8.476 -15.394 1.00 0.00 WAT1 ATOM 3781 H2 TIP3 458 -10.700 -8.290 -15.397 1.00 0.00 WAT1 ATOM 3782 OH2 TIP3 459 -9.970 -3.785 -10.040 1.00 0.00 WAT1 ATOM 3783 H1 TIP3 459 -9.368 -3.187 -9.541 1.00 0.00 WAT1 ATOM 3784 H2 TIP3 459 -10.380 -3.198 -10.718 1.00 0.00 WAT1 ATOM 3785 OH2 TIP3 460 -8.689 -8.488 -17.123 1.00 0.00 WAT1 ATOM 3786 H1 TIP3 460 -9.026 -9.413 -17.164 1.00 0.00 WAT1 ATOM 3787 H2 TIP3 460 -9.428 -7.955 -17.448 1.00 0.00 WAT1 ATOM 3788 OH2 TIP3 461 -13.468 -8.101 -14.258 1.00 0.00 WAT1 ATOM 3789 H1 TIP3 461 -14.389 -8.025 -13.995 1.00 0.00 WAT1 ATOM 3790 H2 TIP3 461 -12.965 -7.904 -13.436 1.00 0.00 WAT1 ATOM 3791 OH2 TIP3 462 -4.508 -7.696 -16.107 1.00 0.00 WAT1 ATOM 3792 H1 TIP3 462 -3.592 -7.698 -16.463 1.00 0.00 WAT1 ATOM 3793 H2 TIP3 462 -4.999 -8.293 -16.711 1.00 0.00 WAT1 ATOM 3794 OH2 TIP3 463 -11.658 -4.941 -8.285 1.00 0.00 WAT1 ATOM 3795 H1 TIP3 463 -12.459 -4.406 -8.299 1.00 0.00 WAT1 ATOM 3796 H2 TIP3 463 -11.083 -4.532 -8.973 1.00 0.00 WAT1 ATOM 3797 OH2 TIP3 464 -12.212 -10.772 -17.458 1.00 0.00 WAT1 ATOM 3798 H1 TIP3 464 -11.957 -10.069 -16.808 1.00 0.00 WAT1 ATOM 3799 H2 TIP3 464 -12.802 -10.319 -18.072 1.00 0.00 WAT1 ATOM 3800 OH2 TIP3 465 -6.476 -6.931 -9.865 1.00 0.00 WAT1 ATOM 3801 H1 TIP3 465 -7.343 -6.719 -10.283 1.00 0.00 WAT1 ATOM 3802 H2 TIP3 465 -6.458 -6.367 -9.055 1.00 0.00 WAT1 ATOM 3803 OH2 TIP3 466 -12.508 -7.019 -6.663 1.00 0.00 WAT1 ATOM 3804 H1 TIP3 466 -12.866 -7.651 -7.319 1.00 0.00 WAT1 ATOM 3805 H2 TIP3 466 -12.214 -6.258 -7.201 1.00 0.00 WAT1 ATOM 3806 OH2 TIP3 467 -9.473 -11.072 -17.565 1.00 0.00 WAT1 ATOM 3807 H1 TIP3 467 -10.447 -11.041 -17.664 1.00 0.00 WAT1 ATOM 3808 H2 TIP3 467 -9.305 -11.933 -17.150 1.00 0.00 WAT1 ATOM 3809 OH2 TIP3 468 -10.763 -7.994 -9.587 1.00 0.00 WAT1 ATOM 3810 H1 TIP3 468 -10.375 -8.890 -9.611 1.00 0.00 WAT1 ATOM 3811 H2 TIP3 468 -11.596 -8.110 -9.083 1.00 0.00 WAT1 ATOM 3812 OH2 TIP3 469 -4.427 -6.436 -11.593 1.00 0.00 WAT1 ATOM 3813 H1 TIP3 469 -5.231 -6.596 -11.053 1.00 0.00 WAT1 ATOM 3814 H2 TIP3 469 -4.485 -7.111 -12.304 1.00 0.00 WAT1 ATOM 3815 OH2 TIP3 470 -5.111 -8.298 -13.487 1.00 0.00 WAT1 ATOM 3816 H1 TIP3 470 -4.614 -8.173 -14.322 1.00 0.00 WAT1 ATOM 3817 H2 TIP3 470 -6.040 -8.143 -13.743 1.00 0.00 WAT1 ATOM 3818 OH2 TIP3 471 -2.703 -11.150 -15.050 1.00 0.00 WAT1 ATOM 3819 H1 TIP3 471 -2.889 -11.990 -15.510 1.00 0.00 WAT1 ATOM 3820 H2 TIP3 471 -2.325 -10.581 -15.742 1.00 0.00 WAT1 ATOM 3821 OH2 TIP3 472 -14.445 -11.778 -12.445 1.00 0.00 WAT1 ATOM 3822 H1 TIP3 472 -15.383 -11.967 -12.371 1.00 0.00 WAT1 ATOM 3823 H2 TIP3 472 -14.131 -12.390 -13.148 1.00 0.00 WAT1 ATOM 3824 OH2 TIP3 473 -5.036 -9.507 -0.274 1.00 0.00 WAT1 ATOM 3825 H1 TIP3 473 -4.461 -8.739 -0.477 1.00 0.00 WAT1 ATOM 3826 H2 TIP3 473 -5.380 -9.780 -1.151 1.00 0.00 WAT1 ATOM 3827 OH2 TIP3 474 -6.547 -8.950 -5.950 1.00 0.00 WAT1 ATOM 3828 H1 TIP3 474 -6.829 -9.741 -5.437 1.00 0.00 WAT1 ATOM 3829 H2 TIP3 474 -6.136 -8.362 -5.277 1.00 0.00 WAT1 ATOM 3830 OH2 TIP3 475 -1.594 -8.957 0.623 1.00 0.00 WAT1 ATOM 3831 H1 TIP3 475 -2.238 -8.410 0.141 1.00 0.00 WAT1 ATOM 3832 H2 TIP3 475 -1.811 -8.808 1.569 1.00 0.00 WAT1 ATOM 3833 OH2 TIP3 476 -6.525 -10.411 1.937 1.00 0.00 WAT1 ATOM 3834 H1 TIP3 476 -6.728 -11.291 1.573 1.00 0.00 WAT1 ATOM 3835 H2 TIP3 476 -6.096 -9.939 1.193 1.00 0.00 WAT1 ATOM 3836 OH2 TIP3 477 -10.239 -10.720 -3.905 1.00 0.00 WAT1 ATOM 3837 H1 TIP3 477 -10.495 -10.731 -2.958 1.00 0.00 WAT1 ATOM 3838 H2 TIP3 477 -10.517 -9.828 -4.217 1.00 0.00 WAT1 ATOM 3839 OH2 TIP3 478 -8.289 -1.995 -8.775 1.00 0.00 WAT1 ATOM 3840 H1 TIP3 478 -8.063 -1.435 -9.557 1.00 0.00 WAT1 ATOM 3841 H2 TIP3 478 -7.430 -2.397 -8.515 1.00 0.00 WAT1 ATOM 3842 OH2 TIP3 479 -1.923 -5.944 -3.684 1.00 0.00 WAT1 ATOM 3843 H1 TIP3 479 -1.283 -6.388 -3.110 1.00 0.00 WAT1 ATOM 3844 H2 TIP3 479 -1.592 -5.023 -3.750 1.00 0.00 WAT1 ATOM 3845 OH2 TIP3 480 -7.710 -3.712 -4.551 1.00 0.00 WAT1 ATOM 3846 H1 TIP3 480 -8.437 -4.355 -4.413 1.00 0.00 WAT1 ATOM 3847 H2 TIP3 480 -8.160 -2.879 -4.725 1.00 0.00 WAT1 ATOM 3848 OH2 TIP3 481 -5.408 -5.046 -5.129 1.00 0.00 WAT1 ATOM 3849 H1 TIP3 481 -6.123 -4.435 -4.828 1.00 0.00 WAT1 ATOM 3850 H2 TIP3 481 -4.630 -4.454 -5.275 1.00 0.00 WAT1 ATOM 3851 OH2 TIP3 482 -8.727 -12.026 3.608 1.00 0.00 WAT1 ATOM 3852 H1 TIP3 482 -8.201 -11.246 3.361 1.00 0.00 WAT1 ATOM 3853 H2 TIP3 482 -8.643 -12.071 4.585 1.00 0.00 WAT1 ATOM 3854 OH2 TIP3 483 -6.217 1.610 -9.436 1.00 0.00 WAT1 ATOM 3855 H1 TIP3 483 -6.066 2.518 -9.718 1.00 0.00 WAT1 ATOM 3856 H2 TIP3 483 -6.555 1.699 -8.508 1.00 0.00 WAT1 ATOM 3857 OH2 TIP3 484 -9.502 -5.807 -4.571 1.00 0.00 WAT1 ATOM 3858 H1 TIP3 484 -10.153 -6.525 -4.443 1.00 0.00 WAT1 ATOM 3859 H2 TIP3 484 -9.376 -5.775 -5.544 1.00 0.00 WAT1 ATOM 3860 OH2 TIP3 485 -5.650 -10.038 -2.892 1.00 0.00 WAT1 ATOM 3861 H1 TIP3 485 -6.409 -10.318 -3.441 1.00 0.00 WAT1 ATOM 3862 H2 TIP3 485 -5.430 -9.143 -3.223 1.00 0.00 WAT1 ATOM 3863 OH2 TIP3 486 -12.856 -10.082 -11.002 1.00 0.00 WAT1 ATOM 3864 H1 TIP3 486 -12.639 -9.369 -11.635 1.00 0.00 WAT1 ATOM 3865 H2 TIP3 486 -13.411 -10.710 -11.526 1.00 0.00 WAT1 ATOM 3866 OH2 TIP3 487 -10.865 -8.216 -4.907 1.00 0.00 WAT1 ATOM 3867 H1 TIP3 487 -11.632 -7.792 -5.359 1.00 0.00 WAT1 ATOM 3868 H2 TIP3 487 -10.256 -8.446 -5.641 1.00 0.00 WAT1 ATOM 3869 OH2 TIP3 488 -8.360 -11.686 -1.074 1.00 0.00 WAT1 ATOM 3870 H1 TIP3 488 -8.248 -12.169 -0.231 1.00 0.00 WAT1 ATOM 3871 H2 TIP3 488 -9.312 -11.474 -1.104 1.00 0.00 WAT1 ATOM 3872 OH2 TIP3 489 -6.380 -9.375 -8.625 1.00 0.00 WAT1 ATOM 3873 H1 TIP3 489 -6.446 -8.532 -9.122 1.00 0.00 WAT1 ATOM 3874 H2 TIP3 489 -6.483 -9.110 -7.686 1.00 0.00 WAT1 ATOM 3875 OH2 TIP3 490 -8.870 -0.329 -6.643 1.00 0.00 WAT1 ATOM 3876 H1 TIP3 490 -8.672 -0.959 -7.369 1.00 0.00 WAT1 ATOM 3877 H2 TIP3 490 -9.828 -0.327 -6.588 1.00 0.00 WAT1 ATOM 3878 OH2 TIP3 491 -10.632 -14.184 3.332 1.00 0.00 WAT1 ATOM 3879 H1 TIP3 491 -10.939 -14.230 4.263 1.00 0.00 WAT1 ATOM 3880 H2 TIP3 491 -10.059 -13.390 3.310 1.00 0.00 WAT1 ATOM 3881 OH2 TIP3 492 -6.590 -5.555 -7.552 1.00 0.00 WAT1 ATOM 3882 H1 TIP3 492 -7.560 -5.613 -7.393 1.00 0.00 WAT1 ATOM 3883 H2 TIP3 492 -6.202 -5.482 -6.651 1.00 0.00 WAT1 ATOM 3884 OH2 TIP3 493 -9.123 -8.810 -6.954 1.00 0.00 WAT1 ATOM 3885 H1 TIP3 493 -8.224 -8.752 -6.571 1.00 0.00 WAT1 ATOM 3886 H2 TIP3 493 -9.173 -9.718 -7.306 1.00 0.00 WAT1 ATOM 3887 OH2 TIP3 494 -9.382 -11.583 -7.644 1.00 0.00 WAT1 ATOM 3888 H1 TIP3 494 -9.720 -11.295 -8.526 1.00 0.00 WAT1 ATOM 3889 H2 TIP3 494 -10.177 -11.831 -7.157 1.00 0.00 WAT1 ATOM 3890 OH2 TIP3 495 -13.223 -8.808 -8.605 1.00 0.00 WAT1 ATOM 3891 H1 TIP3 495 -13.975 -9.208 -8.111 1.00 0.00 WAT1 ATOM 3892 H2 TIP3 495 -13.217 -9.290 -9.461 1.00 0.00 WAT1 ATOM 3893 OH2 TIP3 496 -2.503 -8.889 3.224 1.00 0.00 WAT1 ATOM 3894 H1 TIP3 496 -2.139 -8.636 4.082 1.00 0.00 WAT1 ATOM 3895 H2 TIP3 496 -3.416 -9.195 3.433 1.00 0.00 WAT1 ATOM 3896 OH2 TIP3 497 -7.827 -7.211 -2.859 1.00 0.00 WAT1 ATOM 3897 H1 TIP3 497 -8.393 -6.635 -3.415 1.00 0.00 WAT1 ATOM 3898 H2 TIP3 497 -8.357 -7.380 -2.075 1.00 0.00 WAT1 ATOM 3899 OH2 TIP3 498 -9.276 -6.028 -7.284 1.00 0.00 WAT1 ATOM 3900 H1 TIP3 498 -10.082 -5.641 -7.685 1.00 0.00 WAT1 ATOM 3901 H2 TIP3 498 -9.382 -6.994 -7.420 1.00 0.00 WAT1 ATOM 3902 OH2 TIP3 499 -7.343 -0.493 -10.807 1.00 0.00 WAT1 ATOM 3903 H1 TIP3 499 -6.984 0.311 -10.372 1.00 0.00 WAT1 ATOM 3904 H2 TIP3 499 -6.742 -0.653 -11.540 1.00 0.00 WAT1 ATOM 3905 OH2 TIP3 500 -2.603 -8.916 6.416 1.00 0.00 WAT1 ATOM 3906 H1 TIP3 500 -3.010 -8.794 7.290 1.00 0.00 WAT1 ATOM 3907 H2 TIP3 500 -3.296 -9.340 5.887 1.00 0.00 WAT1 ATOM 3908 OH2 TIP3 501 -4.587 -0.455 -8.549 1.00 0.00 WAT1 ATOM 3909 H1 TIP3 501 -5.302 -1.079 -8.343 1.00 0.00 WAT1 ATOM 3910 H2 TIP3 501 -5.048 0.328 -8.905 1.00 0.00 WAT1 ATOM 3911 OH2 TIP3 502 -0.241 -1.141 -9.850 1.00 0.00 WAT1 ATOM 3912 H1 TIP3 502 -0.612 -0.831 -9.014 1.00 0.00 WAT1 ATOM 3913 H2 TIP3 502 0.266 -0.392 -10.179 1.00 0.00 WAT1 ATOM 3914 OH2 TIP3 503 -5.406 -7.474 -3.956 1.00 0.00 WAT1 ATOM 3915 H1 TIP3 503 -6.221 -7.336 -3.412 1.00 0.00 WAT1 ATOM 3916 H2 TIP3 503 -5.224 -6.584 -4.340 1.00 0.00 WAT1 ATOM 3917 OH2 TIP3 504 -1.570 -10.600 9.056 1.00 0.00 WAT1 ATOM 3918 H1 TIP3 504 -0.997 -10.266 8.328 1.00 0.00 WAT1 ATOM 3919 H2 TIP3 504 -2.351 -10.010 9.033 1.00 0.00 WAT1 ATOM 3920 OH2 TIP3 505 -4.894 -9.790 4.132 1.00 0.00 WAT1 ATOM 3921 H1 TIP3 505 -5.442 -10.021 3.350 1.00 0.00 WAT1 ATOM 3922 H2 TIP3 505 -5.461 -10.020 4.896 1.00 0.00 WAT1 ATOM 3923 OH2 TIP3 506 -7.602 -11.044 -4.600 1.00 0.00 WAT1 ATOM 3924 H1 TIP3 506 -8.536 -10.890 -4.320 1.00 0.00 WAT1 ATOM 3925 H2 TIP3 506 -7.655 -11.810 -5.187 1.00 0.00 WAT1 ATOM 3926 OH2 TIP3 507 -15.337 -9.815 -7.209 1.00 0.00 WAT1 ATOM 3927 H1 TIP3 507 -15.569 -9.360 -6.392 1.00 0.00 WAT1 ATOM 3928 H2 TIP3 507 -16.054 -10.442 -7.344 1.00 0.00 WAT1 ATOM 3929 OH2 TIP3 508 -10.443 -13.496 -4.004 1.00 0.00 WAT1 ATOM 3930 H1 TIP3 508 -11.078 -13.642 -3.269 1.00 0.00 WAT1 ATOM 3931 H2 TIP3 508 -10.367 -12.519 -4.062 1.00 0.00 WAT1 ATOM 3932 OH2 TIP3 509 -5.524 -10.950 10.264 1.00 0.00 WAT1 ATOM 3933 H1 TIP3 509 -4.825 -10.525 10.802 1.00 0.00 WAT1 ATOM 3934 H2 TIP3 509 -6.295 -11.015 10.882 1.00 0.00 WAT1 ATOM 3935 OH2 TIP3 510 -8.619 -11.614 15.303 1.00 0.00 WAT1 ATOM 3936 H1 TIP3 510 -9.087 -12.291 15.835 1.00 0.00 WAT1 ATOM 3937 H2 TIP3 510 -7.887 -11.318 15.881 1.00 0.00 WAT1 ATOM 3938 OH2 TIP3 511 0.117 -4.574 25.856 1.00 0.00 WAT1 ATOM 3939 H1 TIP3 511 -0.444 -5.285 25.465 1.00 0.00 WAT1 ATOM 3940 H2 TIP3 511 -0.489 -4.070 26.403 1.00 0.00 WAT1 ATOM 3941 OH2 TIP3 512 -6.596 -10.515 16.829 1.00 0.00 WAT1 ATOM 3942 H1 TIP3 512 -5.860 -11.072 17.186 1.00 0.00 WAT1 ATOM 3943 H2 TIP3 512 -6.829 -9.939 17.569 1.00 0.00 WAT1 ATOM 3944 OH2 TIP3 513 -7.805 -11.681 19.911 1.00 0.00 WAT1 ATOM 3945 H1 TIP3 513 -8.558 -11.080 19.938 1.00 0.00 WAT1 ATOM 3946 H2 TIP3 513 -7.022 -11.083 19.906 1.00 0.00 WAT1 ATOM 3947 OH2 TIP3 514 -10.000 -15.935 15.596 1.00 0.00 WAT1 ATOM 3948 H1 TIP3 514 -10.708 -15.957 14.912 1.00 0.00 WAT1 ATOM 3949 H2 TIP3 514 -9.167 -15.919 15.077 1.00 0.00 WAT1 ATOM 3950 OH2 TIP3 515 -7.403 -10.871 12.142 1.00 0.00 WAT1 ATOM 3951 H1 TIP3 515 -8.340 -10.758 12.387 1.00 0.00 WAT1 ATOM 3952 H2 TIP3 515 -6.913 -10.605 12.950 1.00 0.00 WAT1 ATOM 3953 OH2 TIP3 516 -6.924 -9.089 8.720 1.00 0.00 WAT1 ATOM 3954 H1 TIP3 516 -6.506 -8.237 8.949 1.00 0.00 WAT1 ATOM 3955 H2 TIP3 516 -6.426 -9.748 9.246 1.00 0.00 WAT1 ATOM 3956 OH2 TIP3 517 -7.607 -13.686 18.021 1.00 0.00 WAT1 ATOM 3957 H1 TIP3 517 -7.621 -12.916 18.623 1.00 0.00 WAT1 ATOM 3958 H2 TIP3 517 -8.479 -13.656 17.575 1.00 0.00 WAT1 ATOM 3959 OH2 TIP3 518 -9.372 -10.467 9.271 1.00 0.00 WAT1 ATOM 3960 H1 TIP3 518 -8.811 -9.692 9.074 1.00 0.00 WAT1 ATOM 3961 H2 TIP3 518 -8.733 -11.213 9.318 1.00 0.00 WAT1 ATOM 3962 OH2 TIP3 519 -9.865 -10.267 13.360 1.00 0.00 WAT1 ATOM 3963 H1 TIP3 519 -10.043 -9.440 13.823 1.00 0.00 WAT1 ATOM 3964 H2 TIP3 519 -9.470 -10.851 14.057 1.00 0.00 WAT1 ATOM 3965 OH2 TIP3 520 -12.508 -12.470 15.967 1.00 0.00 WAT1 ATOM 3966 H1 TIP3 520 -12.577 -12.403 14.995 1.00 0.00 WAT1 ATOM 3967 H2 TIP3 520 -13.415 -12.386 16.276 1.00 0.00 WAT1 ATOM 3968 OH2 TIP3 521 -9.297 -5.851 28.590 1.00 0.00 WAT1 ATOM 3969 H1 TIP3 521 -9.554 -6.337 29.374 1.00 0.00 WAT1 ATOM 3970 H2 TIP3 521 -8.813 -6.486 28.062 1.00 0.00 WAT1 ATOM 3971 OH2 TIP3 522 -5.800 -9.963 14.181 1.00 0.00 WAT1 ATOM 3972 H1 TIP3 522 -6.259 -10.114 15.033 1.00 0.00 WAT1 ATOM 3973 H2 TIP3 522 -4.878 -9.751 14.445 1.00 0.00 WAT1 ATOM 3974 OH2 TIP3 523 -5.730 -9.903 19.678 1.00 0.00 WAT1 ATOM 3975 H1 TIP3 523 -5.210 -10.512 19.093 1.00 0.00 WAT1 ATOM 3976 H2 TIP3 523 -5.150 -9.773 20.456 1.00 0.00 WAT1 ATOM 3977 OH2 TIP3 524 -1.371 -6.542 24.750 1.00 0.00 WAT1 ATOM 3978 H1 TIP3 524 -1.573 -7.416 25.150 1.00 0.00 WAT1 ATOM 3979 H2 TIP3 524 -1.479 -6.686 23.806 1.00 0.00 WAT1 ATOM 3980 OH2 TIP3 525 -3.731 -10.255 24.085 1.00 0.00 WAT1 ATOM 3981 H1 TIP3 525 -3.876 -11.213 24.144 1.00 0.00 WAT1 ATOM 3982 H2 TIP3 525 -3.720 -10.074 23.120 1.00 0.00 WAT1 ATOM 3983 OH2 TIP3 526 -3.944 -7.954 17.468 1.00 0.00 WAT1 ATOM 3984 H1 TIP3 526 -4.840 -7.995 17.827 1.00 0.00 WAT1 ATOM 3985 H2 TIP3 526 -3.379 -8.289 18.201 1.00 0.00 WAT1 ATOM 3986 OH2 TIP3 527 -4.445 -12.975 23.545 1.00 0.00 WAT1 ATOM 3987 H1 TIP3 527 -5.391 -12.915 23.729 1.00 0.00 WAT1 ATOM 3988 H2 TIP3 527 -4.387 -12.927 22.570 1.00 0.00 WAT1 ATOM 3989 OH2 TIP3 528 -3.635 -8.705 9.213 1.00 0.00 WAT1 ATOM 3990 H1 TIP3 528 -4.217 -7.926 9.141 1.00 0.00 WAT1 ATOM 3991 H2 TIP3 528 -3.655 -8.926 10.164 1.00 0.00 WAT1 ATOM 3992 OH2 TIP3 529 -3.583 -10.238 21.390 1.00 0.00 WAT1 ATOM 3993 H1 TIP3 529 -3.006 -9.687 20.815 1.00 0.00 WAT1 ATOM 3994 H2 TIP3 529 -3.467 -11.145 21.047 1.00 0.00 WAT1 ATOM 3995 OH2 TIP3 530 -10.071 -13.439 16.779 1.00 0.00 WAT1 ATOM 3996 H1 TIP3 530 -10.136 -14.354 16.430 1.00 0.00 WAT1 ATOM 3997 H2 TIP3 530 -10.964 -13.056 16.613 1.00 0.00 WAT1 ATOM 3998 OH2 TIP3 531 -12.564 -12.637 13.165 1.00 0.00 WAT1 ATOM 3999 H1 TIP3 531 -11.968 -13.403 13.137 1.00 0.00 WAT1 ATOM 4000 H2 TIP3 531 -12.183 -12.016 12.511 1.00 0.00 WAT1 ATOM 4001 OH2 TIP3 532 -8.886 -17.039 10.671 1.00 0.00 WAT1 ATOM 4002 H1 TIP3 532 -9.795 -17.306 10.938 1.00 0.00 WAT1 ATOM 4003 H2 TIP3 532 -8.641 -17.676 9.985 1.00 0.00 WAT1 ATOM 4004 OH2 TIP3 533 -5.566 -6.701 9.496 1.00 0.00 WAT1 ATOM 4005 H1 TIP3 533 -5.817 -6.410 10.383 1.00 0.00 WAT1 ATOM 4006 H2 TIP3 533 -5.561 -5.889 8.972 1.00 0.00 WAT1 ATOM 4007 OH2 TIP3 534 -2.861 -13.596 27.735 1.00 0.00 WAT1 ATOM 4008 H1 TIP3 534 -3.050 -14.159 26.955 1.00 0.00 WAT1 ATOM 4009 H2 TIP3 534 -2.620 -14.224 28.430 1.00 0.00 WAT1 ATOM 4010 OH2 TIP3 535 0.390 -12.695 28.600 1.00 0.00 WAT1 ATOM 4011 H1 TIP3 535 1.237 -12.450 28.169 1.00 0.00 WAT1 ATOM 4012 H2 TIP3 535 -0.272 -12.120 28.162 1.00 0.00 WAT1 ATOM 4013 OH2 TIP3 536 5.831 -52.139 -13.555 1.00 0.00 WAT1 ATOM 4014 H1 TIP3 536 6.335 -51.437 -14.028 1.00 0.00 WAT1 ATOM 4015 H2 TIP3 536 6.511 -52.762 -13.268 1.00 0.00 WAT1 ATOM 4016 OH2 TIP3 537 15.070 -49.077 -13.094 1.00 0.00 WAT1 ATOM 4017 H1 TIP3 537 14.835 -48.342 -13.701 1.00 0.00 WAT1 ATOM 4018 H2 TIP3 537 14.583 -48.869 -12.263 1.00 0.00 WAT1 ATOM 4019 OH2 TIP3 538 7.244 -50.135 -14.756 1.00 0.00 WAT1 ATOM 4020 H1 TIP3 538 7.247 -49.538 -13.983 1.00 0.00 WAT1 ATOM 4021 H2 TIP3 538 8.078 -49.922 -15.223 1.00 0.00 WAT1 ATOM 4022 OH2 TIP3 539 9.286 -49.820 -16.760 1.00 0.00 WAT1 ATOM 4023 H1 TIP3 539 8.710 -50.071 -17.513 1.00 0.00 WAT1 ATOM 4024 H2 TIP3 539 9.750 -50.647 -16.521 1.00 0.00 WAT1 ATOM 4025 OH2 TIP3 540 7.423 -49.738 -18.816 1.00 0.00 WAT1 ATOM 4026 H1 TIP3 540 6.748 -49.899 -19.501 1.00 0.00 WAT1 ATOM 4027 H2 TIP3 540 7.692 -48.804 -18.959 1.00 0.00 WAT1 ATOM 4028 OH2 TIP3 541 11.368 -48.114 -17.356 1.00 0.00 WAT1 ATOM 4029 H1 TIP3 541 10.524 -48.607 -17.251 1.00 0.00 WAT1 ATOM 4030 H2 TIP3 541 11.281 -47.671 -18.227 1.00 0.00 WAT1 ATOM 4031 OH2 TIP3 542 2.288 -50.494 -12.697 1.00 0.00 WAT1 ATOM 4032 H1 TIP3 542 2.576 -50.832 -13.572 1.00 0.00 WAT1 ATOM 4033 H2 TIP3 542 2.712 -49.630 -12.627 1.00 0.00 WAT1 ATOM 4034 OH2 TIP3 543 4.481 -51.456 -11.229 1.00 0.00 WAT1 ATOM 4035 H1 TIP3 543 3.551 -51.341 -11.495 1.00 0.00 WAT1 ATOM 4036 H2 TIP3 543 4.935 -51.725 -12.053 1.00 0.00 WAT1 ATOM 4037 OH2 TIP3 544 9.953 -51.381 -13.026 1.00 0.00 WAT1 ATOM 4038 H1 TIP3 544 10.238 -51.627 -13.925 1.00 0.00 WAT1 ATOM 4039 H2 TIP3 544 9.589 -52.209 -12.650 1.00 0.00 WAT1 ATOM 4040 OH2 TIP3 545 14.061 -51.466 -13.867 1.00 0.00 WAT1 ATOM 4041 H1 TIP3 545 14.559 -50.701 -13.502 1.00 0.00 WAT1 ATOM 4042 H2 TIP3 545 13.632 -51.105 -14.664 1.00 0.00 WAT1 ATOM 4043 OH2 TIP3 546 14.110 -53.145 -11.743 1.00 0.00 WAT1 ATOM 4044 H1 TIP3 546 14.048 -52.590 -12.559 1.00 0.00 WAT1 ATOM 4045 H2 TIP3 546 15.006 -53.503 -11.768 1.00 0.00 WAT1 ATOM 4046 OH2 TIP3 547 5.504 -50.298 -16.897 1.00 0.00 WAT1 ATOM 4047 H1 TIP3 547 6.030 -50.202 -16.076 1.00 0.00 WAT1 ATOM 4048 H2 TIP3 547 6.159 -50.160 -17.610 1.00 0.00 WAT1 ATOM 4049 OH2 TIP3 548 6.587 -48.328 -12.602 1.00 0.00 WAT1 ATOM 4050 H1 TIP3 548 5.978 -47.944 -13.266 1.00 0.00 WAT1 ATOM 4051 H2 TIP3 548 7.465 -47.955 -12.843 1.00 0.00 WAT1 ATOM 4052 OH2 TIP3 549 8.799 -47.606 -13.980 1.00 0.00 WAT1 ATOM 4053 H1 TIP3 549 8.462 -47.287 -14.844 1.00 0.00 WAT1 ATOM 4054 H2 TIP3 549 9.765 -47.583 -14.081 1.00 0.00 WAT1 ATOM 4055 OH2 TIP3 550 -1.875 -48.049 -18.282 1.00 0.00 WAT1 ATOM 4056 H1 TIP3 550 -1.508 -47.157 -18.125 1.00 0.00 WAT1 ATOM 4057 H2 TIP3 550 -2.843 -47.899 -18.337 1.00 0.00 WAT1 ATOM 4058 OH2 TIP3 551 3.434 -47.322 -16.987 1.00 0.00 WAT1 ATOM 4059 H1 TIP3 551 2.798 -46.739 -17.447 1.00 0.00 WAT1 ATOM 4060 H2 TIP3 551 2.903 -48.120 -16.763 1.00 0.00 WAT1 ATOM 4061 OH2 TIP3 552 5.128 -47.172 -19.204 1.00 0.00 WAT1 ATOM 4062 H1 TIP3 552 4.700 -47.208 -18.322 1.00 0.00 WAT1 ATOM 4063 H2 TIP3 552 5.012 -48.081 -19.561 1.00 0.00 WAT1 ATOM 4064 OH2 TIP3 553 11.057 -51.737 -15.709 1.00 0.00 WAT1 ATOM 4065 H1 TIP3 553 11.559 -52.490 -16.037 1.00 0.00 WAT1 ATOM 4066 H2 TIP3 553 11.711 -51.000 -15.692 1.00 0.00 WAT1 ATOM 4067 OH2 TIP3 554 12.978 -49.757 -15.818 1.00 0.00 WAT1 ATOM 4068 H1 TIP3 554 12.459 -49.223 -16.458 1.00 0.00 WAT1 ATOM 4069 H2 TIP3 554 13.580 -49.105 -15.407 1.00 0.00 WAT1 ATOM 4070 OH2 TIP3 555 0.663 -48.930 -18.932 1.00 0.00 WAT1 ATOM 4071 H1 TIP3 555 -0.298 -48.754 -18.795 1.00 0.00 WAT1 ATOM 4072 H2 TIP3 555 0.996 -49.145 -18.035 1.00 0.00 WAT1 ATOM 4073 OH2 TIP3 556 1.693 -49.305 -16.343 1.00 0.00 WAT1 ATOM 4074 H1 TIP3 556 0.949 -48.970 -15.785 1.00 0.00 WAT1 ATOM 4075 H2 TIP3 556 2.068 -50.041 -15.826 1.00 0.00 WAT1 ATOM 4076 OH2 TIP3 557 3.592 -51.106 -15.040 1.00 0.00 WAT1 ATOM 4077 H1 TIP3 557 4.091 -50.813 -15.834 1.00 0.00 WAT1 ATOM 4078 H2 TIP3 557 4.213 -51.703 -14.579 1.00 0.00 WAT1 ATOM 4079 OH2 TIP3 558 11.959 -48.253 -12.783 1.00 0.00 WAT1 ATOM 4080 H1 TIP3 558 11.826 -47.705 -13.583 1.00 0.00 WAT1 ATOM 4081 H2 TIP3 558 12.544 -47.707 -12.210 1.00 0.00 WAT1 ATOM 4082 OH2 TIP3 559 11.649 -54.019 -8.029 1.00 0.00 WAT1 ATOM 4083 H1 TIP3 559 12.598 -54.265 -7.945 1.00 0.00 WAT1 ATOM 4084 H2 TIP3 559 11.532 -53.857 -8.980 1.00 0.00 WAT1 ATOM 4085 OH2 TIP3 560 1.513 -60.178 -0.960 1.00 0.00 WAT1 ATOM 4086 H1 TIP3 560 2.402 -60.357 -0.597 1.00 0.00 WAT1 ATOM 4087 H2 TIP3 560 1.079 -59.631 -0.270 1.00 0.00 WAT1 ATOM 4088 OH2 TIP3 561 -2.641 -60.324 -1.422 1.00 0.00 WAT1 ATOM 4089 H1 TIP3 561 -3.210 -60.104 -2.192 1.00 0.00 WAT1 ATOM 4090 H2 TIP3 561 -1.855 -60.763 -1.824 1.00 0.00 WAT1 ATOM 4091 OH2 TIP3 562 10.427 -61.935 3.672 1.00 0.00 WAT1 ATOM 4092 H1 TIP3 562 9.617 -61.438 3.429 1.00 0.00 WAT1 ATOM 4093 H2 TIP3 562 11.128 -61.527 3.126 1.00 0.00 WAT1 ATOM 4094 OH2 TIP3 563 -5.583 -61.229 -8.204 1.00 0.00 WAT1 ATOM 4095 H1 TIP3 563 -6.215 -61.656 -8.784 1.00 0.00 WAT1 ATOM 4096 H2 TIP3 563 -4.732 -61.405 -8.606 1.00 0.00 WAT1 ATOM 4097 OH2 TIP3 564 5.849 -57.569 -4.297 1.00 0.00 WAT1 ATOM 4098 H1 TIP3 564 5.597 -58.191 -3.601 1.00 0.00 WAT1 ATOM 4099 H2 TIP3 564 5.005 -57.369 -4.758 1.00 0.00 WAT1 ATOM 4100 OH2 TIP3 565 15.828 -58.855 1.318 1.00 0.00 WAT1 ATOM 4101 H1 TIP3 565 14.907 -58.504 1.332 1.00 0.00 WAT1 ATOM 4102 H2 TIP3 565 15.780 -59.610 0.698 1.00 0.00 WAT1 ATOM 4103 OH2 TIP3 566 0.334 -55.394 -1.988 1.00 0.00 WAT1 ATOM 4104 H1 TIP3 566 0.689 -56.173 -2.442 1.00 0.00 WAT1 ATOM 4105 H2 TIP3 566 1.125 -54.961 -1.610 1.00 0.00 WAT1 ATOM 4106 OH2 TIP3 567 10.076 -57.813 -6.871 1.00 0.00 WAT1 ATOM 4107 H1 TIP3 567 9.197 -57.535 -6.514 1.00 0.00 WAT1 ATOM 4108 H2 TIP3 567 10.121 -57.391 -7.737 1.00 0.00 WAT1 ATOM 4109 OH2 TIP3 568 10.775 -55.901 -4.950 1.00 0.00 WAT1 ATOM 4110 H1 TIP3 568 10.696 -56.571 -5.655 1.00 0.00 WAT1 ATOM 4111 H2 TIP3 568 9.924 -55.945 -4.490 1.00 0.00 WAT1 ATOM 4112 OH2 TIP3 569 3.385 -56.904 -5.351 1.00 0.00 WAT1 ATOM 4113 H1 TIP3 569 3.278 -55.977 -5.644 1.00 0.00 WAT1 ATOM 4114 H2 TIP3 569 3.036 -56.906 -4.428 1.00 0.00 WAT1 ATOM 4115 OH2 TIP3 570 0.812 -56.055 1.445 1.00 0.00 WAT1 ATOM 4116 H1 TIP3 570 1.616 -55.777 0.928 1.00 0.00 WAT1 ATOM 4117 H2 TIP3 570 0.142 -55.377 1.223 1.00 0.00 WAT1 ATOM 4118 OH2 TIP3 571 6.823 -53.401 -9.166 1.00 0.00 WAT1 ATOM 4119 H1 TIP3 571 6.631 -53.908 -8.346 1.00 0.00 WAT1 ATOM 4120 H2 TIP3 571 5.951 -53.221 -9.543 1.00 0.00 WAT1 ATOM 4121 OH2 TIP3 572 0.821 -56.721 4.113 1.00 0.00 WAT1 ATOM 4122 H1 TIP3 572 1.725 -56.462 4.409 1.00 0.00 WAT1 ATOM 4123 H2 TIP3 572 0.813 -56.509 3.157 1.00 0.00 WAT1 ATOM 4124 OH2 TIP3 573 2.747 -56.838 -2.713 1.00 0.00 WAT1 ATOM 4125 H1 TIP3 573 2.889 -55.912 -2.400 1.00 0.00 WAT1 ATOM 4126 H2 TIP3 573 2.919 -57.378 -1.931 1.00 0.00 WAT1 ATOM 4127 OH2 TIP3 574 13.152 -51.416 -9.826 1.00 0.00 WAT1 ATOM 4128 H1 TIP3 574 13.625 -52.099 -10.343 1.00 0.00 WAT1 ATOM 4129 H2 TIP3 574 13.637 -50.578 -10.031 1.00 0.00 WAT1 ATOM 4130 OH2 TIP3 575 -2.227 -55.985 -0.949 1.00 0.00 WAT1 ATOM 4131 H1 TIP3 575 -1.951 -56.793 -0.484 1.00 0.00 WAT1 ATOM 4132 H2 TIP3 575 -1.393 -55.624 -1.317 1.00 0.00 WAT1 ATOM 4133 OH2 TIP3 576 11.799 -59.087 4.429 1.00 0.00 WAT1 ATOM 4134 H1 TIP3 576 12.205 -59.768 3.860 1.00 0.00 WAT1 ATOM 4135 H2 TIP3 576 11.161 -58.634 3.834 1.00 0.00 WAT1 ATOM 4136 OH2 TIP3 577 12.269 -60.571 2.137 1.00 0.00 WAT1 ATOM 4137 H1 TIP3 577 12.707 -59.731 1.879 1.00 0.00 WAT1 ATOM 4138 H2 TIP3 577 12.133 -61.033 1.287 1.00 0.00 WAT1 ATOM 4139 OH2 TIP3 578 11.719 -54.203 -10.828 1.00 0.00 WAT1 ATOM 4140 H1 TIP3 578 12.024 -55.114 -10.758 1.00 0.00 WAT1 ATOM 4141 H2 TIP3 578 12.483 -53.727 -11.221 1.00 0.00 WAT1 ATOM 4142 OH2 TIP3 579 2.219 -58.744 -7.125 1.00 0.00 WAT1 ATOM 4143 H1 TIP3 579 2.592 -58.139 -6.457 1.00 0.00 WAT1 ATOM 4144 H2 TIP3 579 2.845 -58.714 -7.846 1.00 0.00 WAT1 ATOM 4145 OH2 TIP3 580 11.765 -59.680 -5.729 1.00 0.00 WAT1 ATOM 4146 H1 TIP3 580 11.061 -59.065 -6.028 1.00 0.00 WAT1 ATOM 4147 H2 TIP3 580 12.241 -59.899 -6.532 1.00 0.00 WAT1 ATOM 4148 OH2 TIP3 581 6.365 -59.312 4.638 1.00 0.00 WAT1 ATOM 4149 H1 TIP3 581 6.087 -59.210 5.572 1.00 0.00 WAT1 ATOM 4150 H2 TIP3 581 5.659 -58.846 4.130 1.00 0.00 WAT1 ATOM 4151 OH2 TIP3 582 8.008 -57.733 -1.297 1.00 0.00 WAT1 ATOM 4152 H1 TIP3 582 8.629 -58.366 -0.897 1.00 0.00 WAT1 ATOM 4153 H2 TIP3 582 7.127 -58.030 -0.983 1.00 0.00 WAT1 ATOM 4154 OH2 TIP3 583 2.398 -60.027 2.817 1.00 0.00 WAT1 ATOM 4155 H1 TIP3 583 2.923 -59.266 3.154 1.00 0.00 WAT1 ATOM 4156 H2 TIP3 583 2.732 -60.785 3.325 1.00 0.00 WAT1 ATOM 4157 OH2 TIP3 584 5.499 -58.487 -0.407 1.00 0.00 WAT1 ATOM 4158 H1 TIP3 584 5.336 -57.758 0.228 1.00 0.00 WAT1 ATOM 4159 H2 TIP3 584 4.904 -59.206 -0.104 1.00 0.00 WAT1 ATOM 4160 OH2 TIP3 585 3.839 -60.496 0.530 1.00 0.00 WAT1 ATOM 4161 H1 TIP3 585 3.292 -60.279 1.314 1.00 0.00 WAT1 ATOM 4162 H2 TIP3 585 4.192 -61.392 0.728 1.00 0.00 WAT1 ATOM 4163 OH2 TIP3 586 7.822 -56.629 -5.944 1.00 0.00 WAT1 ATOM 4164 H1 TIP3 586 7.307 -55.867 -6.278 1.00 0.00 WAT1 ATOM 4165 H2 TIP3 586 7.204 -57.079 -5.327 1.00 0.00 WAT1 ATOM 4166 OH2 TIP3 587 9.045 -51.976 -6.066 1.00 0.00 WAT1 ATOM 4167 H1 TIP3 587 8.819 -51.488 -6.880 1.00 0.00 WAT1 ATOM 4168 H2 TIP3 587 8.172 -52.130 -5.637 1.00 0.00 WAT1 ATOM 4169 OH2 TIP3 588 0.516 -58.757 1.163 1.00 0.00 WAT1 ATOM 4170 H1 TIP3 588 0.687 -57.800 1.315 1.00 0.00 WAT1 ATOM 4171 H2 TIP3 588 1.041 -59.209 1.858 1.00 0.00 WAT1 ATOM 4172 OH2 TIP3 589 4.903 -56.501 1.505 1.00 0.00 WAT1 ATOM 4173 H1 TIP3 589 5.060 -55.903 2.279 1.00 0.00 WAT1 ATOM 4174 H2 TIP3 589 4.207 -56.036 0.980 1.00 0.00 WAT1 ATOM 4175 OH2 TIP3 590 15.605 -52.018 -6.262 1.00 0.00 WAT1 ATOM 4176 H1 TIP3 590 16.421 -52.180 -6.780 1.00 0.00 WAT1 ATOM 4177 H2 TIP3 590 15.813 -52.362 -5.387 1.00 0.00 WAT1 ATOM 4178 OH2 TIP3 591 5.241 -53.673 -3.424 1.00 0.00 WAT1 ATOM 4179 H1 TIP3 591 4.433 -53.840 -2.898 1.00 0.00 WAT1 ATOM 4180 H2 TIP3 591 5.908 -54.288 -3.045 1.00 0.00 WAT1 ATOM 4181 OH2 TIP3 592 13.046 -51.490 -7.031 1.00 0.00 WAT1 ATOM 4182 H1 TIP3 592 13.989 -51.658 -6.806 1.00 0.00 WAT1 ATOM 4183 H2 TIP3 592 13.028 -51.521 -8.008 1.00 0.00 WAT1 ATOM 4184 OH2 TIP3 593 16.609 -49.794 -10.931 1.00 0.00 WAT1 ATOM 4185 H1 TIP3 593 15.752 -49.494 -10.556 1.00 0.00 WAT1 ATOM 4186 H2 TIP3 593 16.492 -49.685 -11.893 1.00 0.00 WAT1 ATOM 4187 OH2 TIP3 594 7.532 -50.887 -8.226 1.00 0.00 WAT1 ATOM 4188 H1 TIP3 594 7.263 -51.780 -8.513 1.00 0.00 WAT1 ATOM 4189 H2 TIP3 594 6.843 -50.301 -8.593 1.00 0.00 WAT1 ATOM 4190 OH2 TIP3 595 6.454 -52.237 -5.325 1.00 0.00 WAT1 ATOM 4191 H1 TIP3 595 5.983 -52.653 -4.560 1.00 0.00 WAT1 ATOM 4192 H2 TIP3 595 5.748 -51.735 -5.797 1.00 0.00 WAT1 ATOM 4193 OH2 TIP3 596 3.180 -54.151 -6.190 1.00 0.00 WAT1 ATOM 4194 H1 TIP3 596 2.713 -53.904 -5.361 1.00 0.00 WAT1 ATOM 4195 H2 TIP3 596 2.902 -53.470 -6.825 1.00 0.00 WAT1 ATOM 4196 OH2 TIP3 597 8.451 -60.183 2.961 1.00 0.00 WAT1 ATOM 4197 H1 TIP3 597 7.671 -59.930 3.489 1.00 0.00 WAT1 ATOM 4198 H2 TIP3 597 8.962 -59.346 2.865 1.00 0.00 WAT1 ATOM 4199 OH2 TIP3 598 9.633 -59.491 0.342 1.00 0.00 WAT1 ATOM 4200 H1 TIP3 598 9.848 -58.838 1.043 1.00 0.00 WAT1 ATOM 4201 H2 TIP3 598 9.057 -60.130 0.788 1.00 0.00 WAT1 ATOM 4202 OH2 TIP3 599 4.349 -50.930 -6.533 1.00 0.00 WAT1 ATOM 4203 H1 TIP3 599 3.440 -51.200 -6.776 1.00 0.00 WAT1 ATOM 4204 H2 TIP3 599 4.223 -50.130 -5.990 1.00 0.00 WAT1 ATOM 4205 OH2 TIP3 600 13.662 -58.400 -1.859 1.00 0.00 WAT1 ATOM 4206 H1 TIP3 600 14.157 -59.063 -1.335 1.00 0.00 WAT1 ATOM 4207 H2 TIP3 600 12.999 -58.932 -2.347 1.00 0.00 WAT1 ATOM 4208 OH2 TIP3 601 6.019 -54.558 -6.725 1.00 0.00 WAT1 ATOM 4209 H1 TIP3 601 5.052 -54.586 -6.573 1.00 0.00 WAT1 ATOM 4210 H2 TIP3 601 6.322 -53.806 -6.174 1.00 0.00 WAT1 ATOM 4211 OH2 TIP3 602 -0.814 -56.131 6.133 1.00 0.00 WAT1 ATOM 4212 H1 TIP3 602 -1.691 -56.412 5.799 1.00 0.00 WAT1 ATOM 4213 H2 TIP3 602 -0.197 -56.363 5.397 1.00 0.00 WAT1 ATOM 4214 OH2 TIP3 603 9.003 -53.267 -11.248 1.00 0.00 WAT1 ATOM 4215 H1 TIP3 603 8.361 -53.367 -10.519 1.00 0.00 WAT1 ATOM 4216 H2 TIP3 603 9.813 -53.699 -10.918 1.00 0.00 WAT1 ATOM 4217 OH2 TIP3 604 4.381 -54.282 7.993 1.00 0.00 WAT1 ATOM 4218 H1 TIP3 604 4.803 -53.396 7.993 1.00 0.00 WAT1 ATOM 4219 H2 TIP3 604 5.009 -54.842 7.514 1.00 0.00 WAT1 ATOM 4220 OH2 TIP3 605 7.099 -55.608 -2.790 1.00 0.00 WAT1 ATOM 4221 H1 TIP3 605 7.504 -56.193 -2.117 1.00 0.00 WAT1 ATOM 4222 H2 TIP3 605 6.676 -56.226 -3.414 1.00 0.00 WAT1 ATOM 4223 OH2 TIP3 606 8.588 -57.644 4.976 1.00 0.00 WAT1 ATOM 4224 H1 TIP3 606 7.866 -58.292 4.855 1.00 0.00 WAT1 ATOM 4225 H2 TIP3 606 9.067 -57.655 4.115 1.00 0.00 WAT1 ATOM 4226 OH2 TIP3 607 4.557 -61.513 4.122 1.00 0.00 WAT1 ATOM 4227 H1 TIP3 607 4.448 -61.685 5.085 1.00 0.00 WAT1 ATOM 4228 H2 TIP3 607 5.263 -60.845 4.082 1.00 0.00 WAT1 ATOM 4229 OH2 TIP3 608 4.592 -62.858 1.737 1.00 0.00 WAT1 ATOM 4230 H1 TIP3 608 4.565 -62.432 2.622 1.00 0.00 WAT1 ATOM 4231 H2 TIP3 608 4.961 -63.729 1.905 1.00 0.00 WAT1 ATOM 4232 OH2 TIP3 609 11.743 -60.356 6.870 1.00 0.00 WAT1 ATOM 4233 H1 TIP3 609 11.695 -61.295 6.573 1.00 0.00 WAT1 ATOM 4234 H2 TIP3 609 11.774 -59.842 6.030 1.00 0.00 WAT1 ATOM 4235 OH2 TIP3 610 2.931 -57.536 7.281 1.00 0.00 WAT1 ATOM 4236 H1 TIP3 610 3.116 -56.964 6.487 1.00 0.00 WAT1 ATOM 4237 H2 TIP3 610 1.970 -57.623 7.286 1.00 0.00 WAT1 ATOM 4238 OH2 TIP3 611 4.675 -61.386 6.831 1.00 0.00 WAT1 ATOM 4239 H1 TIP3 611 5.435 -61.656 7.377 1.00 0.00 WAT1 ATOM 4240 H2 TIP3 611 4.573 -60.442 7.023 1.00 0.00 WAT1 ATOM 4241 OH2 TIP3 612 11.329 -62.888 6.025 1.00 0.00 WAT1 ATOM 4242 H1 TIP3 612 11.204 -63.838 5.985 1.00 0.00 WAT1 ATOM 4243 H2 TIP3 612 10.971 -62.562 5.164 1.00 0.00 WAT1 ATOM 4244 OH2 TIP3 613 1.520 -53.509 -4.082 1.00 0.00 WAT1 ATOM 4245 H1 TIP3 613 0.668 -53.867 -3.801 1.00 0.00 WAT1 ATOM 4246 H2 TIP3 613 2.105 -53.644 -3.298 1.00 0.00 WAT1 ATOM 4247 OH2 TIP3 614 13.570 -55.206 -4.946 1.00 0.00 WAT1 ATOM 4248 H1 TIP3 614 14.437 -55.483 -4.582 1.00 0.00 WAT1 ATOM 4249 H2 TIP3 614 12.961 -55.919 -4.688 1.00 0.00 WAT1 ATOM 4250 OH2 TIP3 615 15.808 -58.364 -3.624 1.00 0.00 WAT1 ATOM 4251 H1 TIP3 615 15.055 -58.275 -3.007 1.00 0.00 WAT1 ATOM 4252 H2 TIP3 615 15.973 -57.453 -3.933 1.00 0.00 WAT1 ATOM 4253 OH2 TIP3 616 12.435 -60.484 -3.221 1.00 0.00 WAT1 ATOM 4254 H1 TIP3 616 13.225 -61.044 -3.371 1.00 0.00 WAT1 ATOM 4255 H2 TIP3 616 12.143 -60.228 -4.128 1.00 0.00 WAT1 ATOM 4256 OH2 TIP3 617 -2.138 -58.480 0.525 1.00 0.00 WAT1 ATOM 4257 H1 TIP3 617 -2.317 -59.165 -0.161 1.00 0.00 WAT1 ATOM 4258 H2 TIP3 617 -1.194 -58.624 0.763 1.00 0.00 WAT1 ATOM 4259 OH2 TIP3 618 15.929 -58.979 4.116 1.00 0.00 WAT1 ATOM 4260 H1 TIP3 618 16.839 -59.287 4.297 1.00 0.00 WAT1 ATOM 4261 H2 TIP3 618 15.868 -58.975 3.141 1.00 0.00 WAT1 ATOM 4262 OH2 TIP3 619 11.887 -60.857 -0.583 1.00 0.00 WAT1 ATOM 4263 H1 TIP3 619 11.077 -60.341 -0.374 1.00 0.00 WAT1 ATOM 4264 H2 TIP3 619 11.943 -60.826 -1.565 1.00 0.00 WAT1 ATOM 4265 OH2 TIP3 620 13.267 -58.160 1.211 1.00 0.00 WAT1 ATOM 4266 H1 TIP3 620 12.737 -57.555 1.794 1.00 0.00 WAT1 ATOM 4267 H2 TIP3 620 12.990 -57.924 0.312 1.00 0.00 WAT1 ATOM 4268 OH2 TIP3 621 1.715 -51.643 -7.017 1.00 0.00 WAT1 ATOM 4269 H1 TIP3 621 1.119 -51.106 -7.595 1.00 0.00 WAT1 ATOM 4270 H2 TIP3 621 1.179 -51.832 -6.237 1.00 0.00 WAT1 ATOM 4271 OH2 TIP3 622 5.770 -49.359 -10.011 1.00 0.00 WAT1 ATOM 4272 H1 TIP3 622 5.302 -50.158 -10.340 1.00 0.00 WAT1 ATOM 4273 H2 TIP3 622 6.130 -48.946 -10.820 1.00 0.00 WAT1 ATOM 4274 OH2 TIP3 623 11.527 -57.782 13.699 1.00 0.00 WAT1 ATOM 4275 H1 TIP3 623 11.710 -57.126 12.996 1.00 0.00 WAT1 ATOM 4276 H2 TIP3 623 11.338 -58.596 13.217 1.00 0.00 WAT1 ATOM 4277 OH2 TIP3 624 8.280 -55.036 15.527 1.00 0.00 WAT1 ATOM 4278 H1 TIP3 624 7.626 -55.657 15.918 1.00 0.00 WAT1 ATOM 4279 H2 TIP3 624 9.153 -55.412 15.780 1.00 0.00 WAT1 ATOM 4280 OH2 TIP3 625 11.513 -53.831 13.913 1.00 0.00 WAT1 ATOM 4281 H1 TIP3 625 11.187 -54.535 14.514 1.00 0.00 WAT1 ATOM 4282 H2 TIP3 625 12.316 -53.511 14.337 1.00 0.00 WAT1 ATOM 4283 OH2 TIP3 626 0.989 -58.296 15.821 1.00 0.00 WAT1 ATOM 4284 H1 TIP3 626 0.884 -57.892 16.687 1.00 0.00 WAT1 ATOM 4285 H2 TIP3 626 1.610 -57.699 15.352 1.00 0.00 WAT1 ATOM 4286 OH2 TIP3 627 7.646 -53.050 17.335 1.00 0.00 WAT1 ATOM 4287 H1 TIP3 627 6.784 -52.714 17.024 1.00 0.00 WAT1 ATOM 4288 H2 TIP3 627 7.968 -53.604 16.593 1.00 0.00 WAT1 ATOM 4289 OH2 TIP3 628 6.745 -57.165 12.432 1.00 0.00 WAT1 ATOM 4290 H1 TIP3 628 7.233 -58.009 12.314 1.00 0.00 WAT1 ATOM 4291 H2 TIP3 628 6.477 -56.915 11.520 1.00 0.00 WAT1 ATOM 4292 OH2 TIP3 629 8.984 -55.663 12.898 1.00 0.00 WAT1 ATOM 4293 H1 TIP3 629 8.900 -55.427 13.844 1.00 0.00 WAT1 ATOM 4294 H2 TIP3 629 8.290 -56.340 12.760 1.00 0.00 WAT1 ATOM 4295 OH2 TIP3 630 4.826 -56.283 18.755 1.00 0.00 WAT1 ATOM 4296 H1 TIP3 630 3.920 -55.924 18.651 1.00 0.00 WAT1 ATOM 4297 H2 TIP3 630 5.122 -55.937 19.619 1.00 0.00 WAT1 ATOM 4298 OH2 TIP3 631 4.552 -53.073 19.007 1.00 0.00 WAT1 ATOM 4299 H1 TIP3 631 4.862 -52.714 18.153 1.00 0.00 WAT1 ATOM 4300 H2 TIP3 631 3.894 -53.757 18.752 1.00 0.00 WAT1 ATOM 4301 OH2 TIP3 632 -0.691 -54.150 10.645 1.00 0.00 WAT1 ATOM 4302 H1 TIP3 632 -1.156 -53.349 10.379 1.00 0.00 WAT1 ATOM 4303 H2 TIP3 632 -1.245 -54.515 11.376 1.00 0.00 WAT1 ATOM 4304 OH2 TIP3 633 9.500 -51.965 13.304 1.00 0.00 WAT1 ATOM 4305 H1 TIP3 633 8.717 -52.527 13.156 1.00 0.00 WAT1 ATOM 4306 H2 TIP3 633 10.223 -52.603 13.482 1.00 0.00 WAT1 ATOM 4307 OH2 TIP3 634 11.618 -55.775 11.772 1.00 0.00 WAT1 ATOM 4308 H1 TIP3 634 10.641 -55.769 11.824 1.00 0.00 WAT1 ATOM 4309 H2 TIP3 634 11.883 -54.991 12.285 1.00 0.00 WAT1 ATOM 4310 OH2 TIP3 635 12.390 -55.905 17.863 1.00 0.00 WAT1 ATOM 4311 H1 TIP3 635 13.222 -56.259 18.198 1.00 0.00 WAT1 ATOM 4312 H2 TIP3 635 12.452 -54.933 18.045 1.00 0.00 WAT1 ATOM 4313 OH2 TIP3 636 8.709 -57.901 9.267 1.00 0.00 WAT1 ATOM 4314 H1 TIP3 636 9.037 -58.737 8.874 1.00 0.00 WAT1 ATOM 4315 H2 TIP3 636 8.660 -58.095 10.222 1.00 0.00 WAT1 ATOM 4316 OH2 TIP3 637 9.637 -60.345 8.587 1.00 0.00 WAT1 ATOM 4317 H1 TIP3 637 10.110 -60.623 9.386 1.00 0.00 WAT1 ATOM 4318 H2 TIP3 637 10.325 -60.363 7.882 1.00 0.00 WAT1 ATOM 4319 OH2 TIP3 638 8.478 -59.210 11.732 1.00 0.00 WAT1 ATOM 4320 H1 TIP3 638 9.415 -59.483 11.640 1.00 0.00 WAT1 ATOM 4321 H2 TIP3 638 7.970 -60.042 11.583 1.00 0.00 WAT1 ATOM 4322 OH2 TIP3 639 0.967 -56.132 12.470 1.00 0.00 WAT1 ATOM 4323 H1 TIP3 639 0.228 -56.761 12.387 1.00 0.00 WAT1 ATOM 4324 H2 TIP3 639 1.402 -56.380 13.312 1.00 0.00 WAT1 ATOM 4325 OH2 TIP3 640 5.184 -55.536 14.082 1.00 0.00 WAT1 ATOM 4326 H1 TIP3 640 5.612 -56.155 13.453 1.00 0.00 WAT1 ATOM 4327 H2 TIP3 640 5.593 -55.754 14.944 1.00 0.00 WAT1 ATOM 4328 OH2 TIP3 641 2.997 -51.684 20.762 1.00 0.00 WAT1 ATOM 4329 H1 TIP3 641 2.340 -51.254 20.183 1.00 0.00 WAT1 ATOM 4330 H2 TIP3 641 3.622 -52.109 20.141 1.00 0.00 WAT1 ATOM 4331 OH2 TIP3 642 13.318 -56.650 9.561 1.00 0.00 WAT1 ATOM 4332 H1 TIP3 642 13.641 -55.811 9.161 1.00 0.00 WAT1 ATOM 4333 H2 TIP3 642 12.734 -56.357 10.287 1.00 0.00 WAT1 ATOM 4334 OH2 TIP3 643 7.289 -53.569 12.541 1.00 0.00 WAT1 ATOM 4335 H1 TIP3 643 7.905 -54.325 12.427 1.00 0.00 WAT1 ATOM 4336 H2 TIP3 643 6.568 -53.931 13.083 1.00 0.00 WAT1 ATOM 4337 OH2 TIP3 644 0.593 -53.503 19.842 1.00 0.00 WAT1 ATOM 4338 H1 TIP3 644 0.708 -52.565 19.585 1.00 0.00 WAT1 ATOM 4339 H2 TIP3 644 0.458 -53.469 20.802 1.00 0.00 WAT1 ATOM 4340 OH2 TIP3 645 3.691 -56.679 9.837 1.00 0.00 WAT1 ATOM 4341 H1 TIP3 645 4.665 -56.575 9.802 1.00 0.00 WAT1 ATOM 4342 H2 TIP3 645 3.452 -56.981 8.939 1.00 0.00 WAT1 ATOM 4343 OH2 TIP3 646 -2.043 -55.802 21.413 1.00 0.00 WAT1 ATOM 4344 H1 TIP3 646 -2.002 -55.411 20.519 1.00 0.00 WAT1 ATOM 4345 H2 TIP3 646 -2.167 -56.737 21.256 1.00 0.00 WAT1 ATOM 4346 OH2 TIP3 647 -1.459 -55.591 16.226 1.00 0.00 WAT1 ATOM 4347 H1 TIP3 647 -1.595 -56.179 15.454 1.00 0.00 WAT1 ATOM 4348 H2 TIP3 647 -1.497 -54.684 15.847 1.00 0.00 WAT1 ATOM 4349 OH2 TIP3 648 14.326 -50.867 25.560 1.00 0.00 WAT1 ATOM 4350 H1 TIP3 648 14.284 -51.482 26.297 1.00 0.00 WAT1 ATOM 4351 H2 TIP3 648 14.433 -50.005 25.972 1.00 0.00 WAT1 ATOM 4352 OH2 TIP3 649 11.083 -52.978 5.332 1.00 0.00 WAT1 ATOM 4353 H1 TIP3 649 11.200 -52.351 6.076 1.00 0.00 WAT1 ATOM 4354 H2 TIP3 649 11.181 -52.428 4.540 1.00 0.00 WAT1 ATOM 4355 OH2 TIP3 650 9.566 -49.237 13.591 1.00 0.00 WAT1 ATOM 4356 H1 TIP3 650 10.510 -49.072 13.739 1.00 0.00 WAT1 ATOM 4357 H2 TIP3 650 9.504 -50.218 13.495 1.00 0.00 WAT1 ATOM 4358 OH2 TIP3 651 2.526 -54.810 18.378 1.00 0.00 WAT1 ATOM 4359 H1 TIP3 651 2.087 -54.762 17.502 1.00 0.00 WAT1 ATOM 4360 H2 TIP3 651 1.853 -54.454 19.001 1.00 0.00 WAT1 ATOM 4361 OH2 TIP3 652 6.461 -56.349 9.813 1.00 0.00 WAT1 ATOM 4362 H1 TIP3 652 6.742 -55.442 9.545 1.00 0.00 WAT1 ATOM 4363 H2 TIP3 652 7.156 -56.929 9.439 1.00 0.00 WAT1 ATOM 4364 OH2 TIP3 653 8.265 -54.042 19.755 1.00 0.00 WAT1 ATOM 4365 H1 TIP3 653 8.851 -54.814 19.570 1.00 0.00 WAT1 ATOM 4366 H2 TIP3 653 8.008 -53.721 18.856 1.00 0.00 WAT1 ATOM 4367 OH2 TIP3 654 6.929 -60.790 8.347 1.00 0.00 WAT1 ATOM 4368 H1 TIP3 654 7.903 -60.679 8.286 1.00 0.00 WAT1 ATOM 4369 H2 TIP3 654 6.570 -59.929 8.055 1.00 0.00 WAT1 ATOM 4370 OH2 TIP3 655 5.431 -58.627 7.207 1.00 0.00 WAT1 ATOM 4371 H1 TIP3 655 4.496 -58.359 7.355 1.00 0.00 WAT1 ATOM 4372 H2 TIP3 655 5.884 -57.782 6.978 1.00 0.00 WAT1 ATOM 4373 OH2 TIP3 656 14.141 -47.529 23.377 1.00 0.00 WAT1 ATOM 4374 H1 TIP3 656 13.651 -47.250 22.581 1.00 0.00 WAT1 ATOM 4375 H2 TIP3 656 14.334 -46.689 23.843 1.00 0.00 WAT1 ATOM 4376 OH2 TIP3 657 12.553 -53.323 18.536 1.00 0.00 WAT1 ATOM 4377 H1 TIP3 657 13.323 -52.730 18.367 1.00 0.00 WAT1 ATOM 4378 H2 TIP3 657 12.380 -53.229 19.505 1.00 0.00 WAT1 ATOM 4379 OH2 TIP3 658 8.360 -51.234 19.867 1.00 0.00 WAT1 ATOM 4380 H1 TIP3 658 8.034 -52.151 19.868 1.00 0.00 WAT1 ATOM 4381 H2 TIP3 658 8.859 -51.159 20.706 1.00 0.00 WAT1 ATOM 4382 OH2 TIP3 659 7.125 -61.484 11.006 1.00 0.00 WAT1 ATOM 4383 H1 TIP3 659 6.526 -62.214 11.184 1.00 0.00 WAT1 ATOM 4384 H2 TIP3 659 6.997 -61.295 10.051 1.00 0.00 WAT1 ATOM 4385 OH2 TIP3 660 2.513 -56.257 14.732 1.00 0.00 WAT1 ATOM 4386 H1 TIP3 660 2.140 -55.466 15.179 1.00 0.00 WAT1 ATOM 4387 H2 TIP3 660 3.428 -55.994 14.501 1.00 0.00 WAT1 ATOM 4388 OH2 TIP3 661 7.803 -51.819 10.488 1.00 0.00 WAT1 ATOM 4389 H1 TIP3 661 8.266 -51.091 10.920 1.00 0.00 WAT1 ATOM 4390 H2 TIP3 661 7.556 -52.417 11.227 1.00 0.00 WAT1 ATOM 4391 OH2 TIP3 662 14.703 -61.097 8.531 1.00 0.00 WAT1 ATOM 4392 H1 TIP3 662 13.954 -60.563 8.864 1.00 0.00 WAT1 ATOM 4393 H2 TIP3 662 14.332 -61.583 7.787 1.00 0.00 WAT1 ATOM 4394 OH2 TIP3 663 7.641 -54.068 8.897 1.00 0.00 WAT1 ATOM 4395 H1 TIP3 663 7.879 -53.236 9.352 1.00 0.00 WAT1 ATOM 4396 H2 TIP3 663 8.207 -54.081 8.115 1.00 0.00 WAT1 ATOM 4397 OH2 TIP3 664 10.848 -55.954 15.605 1.00 0.00 WAT1 ATOM 4398 H1 TIP3 664 11.461 -56.037 16.366 1.00 0.00 WAT1 ATOM 4399 H2 TIP3 664 11.092 -56.706 15.013 1.00 0.00 WAT1 ATOM 4400 OH2 TIP3 665 4.206 -58.121 3.551 1.00 0.00 WAT1 ATOM 4401 H1 TIP3 665 3.932 -57.381 4.146 1.00 0.00 WAT1 ATOM 4402 H2 TIP3 665 4.499 -57.664 2.730 1.00 0.00 WAT1 ATOM 4403 OH2 TIP3 666 13.886 -51.287 8.488 1.00 0.00 WAT1 ATOM 4404 H1 TIP3 666 14.518 -51.781 7.927 1.00 0.00 WAT1 ATOM 4405 H2 TIP3 666 14.451 -50.631 8.956 1.00 0.00 WAT1 ATOM 4406 OH2 TIP3 667 14.513 -58.380 6.378 1.00 0.00 WAT1 ATOM 4407 H1 TIP3 667 15.171 -58.460 7.091 1.00 0.00 WAT1 ATOM 4408 H2 TIP3 667 14.997 -58.673 5.571 1.00 0.00 WAT1 ATOM 4409 OH2 TIP3 668 1.307 -54.155 16.012 1.00 0.00 WAT1 ATOM 4410 H1 TIP3 668 0.378 -54.137 15.702 1.00 0.00 WAT1 ATOM 4411 H2 TIP3 668 1.498 -53.218 16.229 1.00 0.00 WAT1 ATOM 4412 OH2 TIP3 669 -5.895 -61.025 5.754 1.00 0.00 WAT1 ATOM 4413 H1 TIP3 669 -5.036 -61.349 5.470 1.00 0.00 WAT1 ATOM 4414 H2 TIP3 669 -5.752 -60.074 5.916 1.00 0.00 WAT1 ATOM 4415 OH2 TIP3 670 14.516 -47.407 15.476 1.00 0.00 WAT1 ATOM 4416 H1 TIP3 670 15.140 -46.869 16.015 1.00 0.00 WAT1 ATOM 4417 H2 TIP3 670 14.801 -47.246 14.552 1.00 0.00 WAT1 ATOM 4418 OH2 TIP3 671 -3.371 -50.362 21.711 1.00 0.00 WAT1 ATOM 4419 H1 TIP3 671 -2.400 -50.363 21.527 1.00 0.00 WAT1 ATOM 4420 H2 TIP3 671 -3.563 -51.272 21.960 1.00 0.00 WAT1 ATOM 4421 OH2 TIP3 672 3.936 -51.950 23.262 1.00 0.00 WAT1 ATOM 4422 H1 TIP3 672 3.824 -52.897 23.494 1.00 0.00 WAT1 ATOM 4423 H2 TIP3 672 3.571 -51.882 22.348 1.00 0.00 WAT1 ATOM 4424 OH2 TIP3 673 9.777 -51.273 22.210 1.00 0.00 WAT1 ATOM 4425 H1 TIP3 673 9.213 -50.983 22.967 1.00 0.00 WAT1 ATOM 4426 H2 TIP3 673 10.432 -50.542 22.106 1.00 0.00 WAT1 ATOM 4427 OH2 TIP3 674 5.839 -54.699 20.827 1.00 0.00 WAT1 ATOM 4428 H1 TIP3 674 5.330 -53.981 20.398 1.00 0.00 WAT1 ATOM 4429 H2 TIP3 674 6.755 -54.565 20.505 1.00 0.00 WAT1 ATOM 4430 OH2 TIP3 675 10.301 -57.038 7.057 1.00 0.00 WAT1 ATOM 4431 H1 TIP3 675 9.796 -57.118 7.888 1.00 0.00 WAT1 ATOM 4432 H2 TIP3 675 9.648 -57.261 6.359 1.00 0.00 WAT1 ATOM 4433 OH2 TIP3 676 11.492 -53.188 21.033 1.00 0.00 WAT1 ATOM 4434 H1 TIP3 676 11.329 -53.908 21.655 1.00 0.00 WAT1 ATOM 4435 H2 TIP3 676 10.990 -52.438 21.402 1.00 0.00 WAT1 ATOM 4436 OH2 TIP3 677 6.398 -56.332 6.072 1.00 0.00 WAT1 ATOM 4437 H1 TIP3 677 5.918 -55.910 5.315 1.00 0.00 WAT1 ATOM 4438 H2 TIP3 677 7.284 -56.526 5.712 1.00 0.00 WAT1 ATOM 4439 OH2 TIP3 678 8.926 -53.921 22.528 1.00 0.00 WAT1 ATOM 4440 H1 TIP3 678 8.726 -53.984 21.578 1.00 0.00 WAT1 ATOM 4441 H2 TIP3 678 9.236 -53.006 22.646 1.00 0.00 WAT1 ATOM 4442 OH2 TIP3 679 6.210 -56.575 16.480 1.00 0.00 WAT1 ATOM 4443 H1 TIP3 679 6.111 -57.530 16.402 1.00 0.00 WAT1 ATOM 4444 H2 TIP3 679 5.744 -56.355 17.326 1.00 0.00 WAT1 ATOM 4445 OH2 TIP3 680 9.788 -56.057 18.781 1.00 0.00 WAT1 ATOM 4446 H1 TIP3 680 10.719 -55.945 18.503 1.00 0.00 WAT1 ATOM 4447 H2 TIP3 680 9.555 -56.937 18.473 1.00 0.00 WAT1 ATOM 4448 OH2 TIP3 681 1.271 -54.914 7.781 1.00 0.00 WAT1 ATOM 4449 H1 TIP3 681 2.153 -54.863 7.368 1.00 0.00 WAT1 ATOM 4450 H2 TIP3 681 0.668 -55.107 7.038 1.00 0.00 WAT1 ATOM 4451 OH2 TIP3 682 15.797 -50.201 19.236 1.00 0.00 WAT1 ATOM 4452 H1 TIP3 682 15.841 -49.922 20.156 1.00 0.00 WAT1 ATOM 4453 H2 TIP3 682 16.671 -49.951 18.866 1.00 0.00 WAT1 ATOM 4454 OH2 TIP3 683 11.566 -49.243 21.948 1.00 0.00 WAT1 ATOM 4455 H1 TIP3 683 12.412 -49.691 22.191 1.00 0.00 WAT1 ATOM 4456 H2 TIP3 683 11.850 -48.360 21.628 1.00 0.00 WAT1 ATOM 4457 OH2 TIP3 684 14.003 -54.192 8.556 1.00 0.00 WAT1 ATOM 4458 H1 TIP3 684 13.454 -53.423 8.769 1.00 0.00 WAT1 ATOM 4459 H2 TIP3 684 14.798 -53.807 8.140 1.00 0.00 WAT1 ATOM 4460 OH2 TIP3 685 11.107 -59.979 11.245 1.00 0.00 WAT1 ATOM 4461 H1 TIP3 685 11.589 -60.736 11.596 1.00 0.00 WAT1 ATOM 4462 H2 TIP3 685 11.719 -59.598 10.571 1.00 0.00 WAT1 ATOM 4463 OH2 TIP3 686 14.498 -50.162 15.099 1.00 0.00 WAT1 ATOM 4464 H1 TIP3 686 14.473 -49.202 15.283 1.00 0.00 WAT1 ATOM 4465 H2 TIP3 686 15.460 -50.381 15.124 1.00 0.00 WAT1 ATOM 4466 OH2 TIP3 687 14.299 -51.576 17.488 1.00 0.00 WAT1 ATOM 4467 H1 TIP3 687 14.830 -51.107 18.180 1.00 0.00 WAT1 ATOM 4468 H2 TIP3 687 14.567 -51.144 16.652 1.00 0.00 WAT1 ATOM 4469 OH2 TIP3 688 16.100 -58.754 8.691 1.00 0.00 WAT1 ATOM 4470 H1 TIP3 688 15.775 -59.685 8.694 1.00 0.00 WAT1 ATOM 4471 H2 TIP3 688 15.575 -58.318 9.378 1.00 0.00 WAT1 ATOM 4472 OH2 TIP3 689 12.747 -59.286 9.184 1.00 0.00 WAT1 ATOM 4473 H1 TIP3 689 12.432 -59.436 8.262 1.00 0.00 WAT1 ATOM 4474 H2 TIP3 689 12.957 -58.321 9.212 1.00 0.00 WAT1 ATOM 4475 OH2 TIP3 690 -1.319 -59.531 15.056 1.00 0.00 WAT1 ATOM 4476 H1 TIP3 690 -1.281 -60.449 15.330 1.00 0.00 WAT1 ATOM 4477 H2 TIP3 690 -0.437 -59.166 15.305 1.00 0.00 WAT1 ATOM 4478 OH2 TIP3 691 14.869 -47.355 12.682 1.00 0.00 WAT1 ATOM 4479 H1 TIP3 691 14.975 -48.242 12.312 1.00 0.00 WAT1 ATOM 4480 H2 TIP3 691 13.917 -47.159 12.569 1.00 0.00 WAT1 ATOM 4481 OH2 TIP3 692 1.093 -50.873 18.945 1.00 0.00 WAT1 ATOM 4482 H1 TIP3 692 1.103 -51.235 18.035 1.00 0.00 WAT1 ATOM 4483 H2 TIP3 692 1.425 -49.955 18.833 1.00 0.00 WAT1 ATOM 4484 OH2 TIP3 693 11.926 -48.287 14.919 1.00 0.00 WAT1 ATOM 4485 H1 TIP3 693 12.715 -48.037 15.445 1.00 0.00 WAT1 ATOM 4486 H2 TIP3 693 12.000 -47.737 14.113 1.00 0.00 WAT1 ATOM 4487 OH2 TIP3 694 11.443 -51.104 7.294 1.00 0.00 WAT1 ATOM 4488 H1 TIP3 694 12.334 -51.121 7.710 1.00 0.00 WAT1 ATOM 4489 H2 TIP3 694 10.883 -50.691 7.955 1.00 0.00 WAT1 ATOM 4490 OH2 TIP3 695 13.924 -50.185 22.914 1.00 0.00 WAT1 ATOM 4491 H1 TIP3 695 14.099 -50.648 23.758 1.00 0.00 WAT1 ATOM 4492 H2 TIP3 695 14.170 -49.253 23.099 1.00 0.00 WAT1 ATOM 4493 OH2 TIP3 696 5.926 -53.383 25.718 1.00 0.00 WAT1 ATOM 4494 H1 TIP3 696 6.290 -53.957 25.017 1.00 0.00 WAT1 ATOM 4495 H2 TIP3 696 4.982 -53.330 25.512 1.00 0.00 WAT1 ATOM 4496 OH2 TIP3 697 3.838 -54.550 24.092 1.00 0.00 WAT1 ATOM 4497 H1 TIP3 697 3.403 -55.360 24.367 1.00 0.00 WAT1 ATOM 4498 H2 TIP3 697 4.751 -54.828 23.871 1.00 0.00 WAT1 ATOM 4499 OH2 TIP3 698 9.802 -48.232 23.822 1.00 0.00 WAT1 ATOM 4500 H1 TIP3 698 10.434 -48.649 23.205 1.00 0.00 WAT1 ATOM 4501 H2 TIP3 698 9.190 -48.959 24.067 1.00 0.00 WAT1 ATOM 4502 OH2 TIP3 699 8.142 -50.353 24.210 1.00 0.00 WAT1 ATOM 4503 H1 TIP3 699 8.092 -50.756 25.110 1.00 0.00 WAT1 ATOM 4504 H2 TIP3 699 7.213 -50.076 24.025 1.00 0.00 WAT1 ATOM 4505 OH2 TIP3 700 6.519 -54.950 23.485 1.00 0.00 WAT1 ATOM 4506 H1 TIP3 700 7.468 -54.708 23.423 1.00 0.00 WAT1 ATOM 4507 H2 TIP3 700 6.219 -54.964 22.551 1.00 0.00 WAT1 ATOM 4508 OH2 TIP3 701 5.498 -49.763 23.909 1.00 0.00 WAT1 ATOM 4509 H1 TIP3 701 5.157 -50.636 23.623 1.00 0.00 WAT1 ATOM 4510 H2 TIP3 701 4.712 -49.318 24.280 1.00 0.00 WAT1 ATOM 4511 OH2 TIP3 702 7.602 -51.456 26.638 1.00 0.00 WAT1 ATOM 4512 H1 TIP3 702 7.019 -52.177 26.300 1.00 0.00 WAT1 ATOM 4513 H2 TIP3 702 7.261 -51.272 27.515 1.00 0.00 WAT1 ATOM 4514 OH2 TIP3 703 -0.668 -50.457 21.325 1.00 0.00 WAT1 ATOM 4515 H1 TIP3 703 -0.214 -50.514 20.470 1.00 0.00 WAT1 ATOM 4516 H2 TIP3 703 -0.153 -49.787 21.823 1.00 0.00 WAT1 ATOM 4517 OH2 TIP3 704 7.241 -40.138 -25.696 1.00 0.00 WAT1 ATOM 4518 H1 TIP3 704 6.899 -40.678 -24.954 1.00 0.00 WAT1 ATOM 4519 H2 TIP3 704 8.201 -40.236 -25.634 1.00 0.00 WAT1 ATOM 4520 OH2 TIP3 705 6.073 -39.937 -19.001 1.00 0.00 WAT1 ATOM 4521 H1 TIP3 705 5.738 -40.465 -18.239 1.00 0.00 WAT1 ATOM 4522 H2 TIP3 705 5.456 -40.151 -19.722 1.00 0.00 WAT1 ATOM 4523 OH2 TIP3 706 7.645 -37.323 -17.014 1.00 0.00 WAT1 ATOM 4524 H1 TIP3 706 7.935 -38.073 -16.471 1.00 0.00 WAT1 ATOM 4525 H2 TIP3 706 7.311 -36.669 -16.365 1.00 0.00 WAT1 ATOM 4526 OH2 TIP3 707 4.078 -39.832 -23.733 1.00 0.00 WAT1 ATOM 4527 H1 TIP3 707 4.867 -40.405 -23.701 1.00 0.00 WAT1 ATOM 4528 H2 TIP3 707 4.135 -39.398 -24.613 1.00 0.00 WAT1 ATOM 4529 OH2 TIP3 708 7.257 -33.934 -19.876 1.00 0.00 WAT1 ATOM 4530 H1 TIP3 708 7.460 -34.894 -19.777 1.00 0.00 WAT1 ATOM 4531 H2 TIP3 708 7.733 -33.675 -20.695 1.00 0.00 WAT1 ATOM 4532 OH2 TIP3 709 5.352 -37.234 -19.332 1.00 0.00 WAT1 ATOM 4533 H1 TIP3 709 5.544 -38.163 -19.100 1.00 0.00 WAT1 ATOM 4534 H2 TIP3 709 6.228 -36.861 -19.555 1.00 0.00 WAT1 ATOM 4535 OH2 TIP3 710 10.918 -41.881 -19.508 1.00 0.00 WAT1 ATOM 4536 H1 TIP3 710 10.229 -41.193 -19.374 1.00 0.00 WAT1 ATOM 4537 H2 TIP3 710 11.757 -41.397 -19.437 1.00 0.00 WAT1 ATOM 4538 OH2 TIP3 711 4.955 -37.518 -22.311 1.00 0.00 WAT1 ATOM 4539 H1 TIP3 711 4.817 -37.462 -21.351 1.00 0.00 WAT1 ATOM 4540 H2 TIP3 711 4.433 -38.294 -22.585 1.00 0.00 WAT1 ATOM 4541 OH2 TIP3 712 13.696 -45.390 -19.477 1.00 0.00 WAT1 ATOM 4542 H1 TIP3 712 13.690 -45.335 -18.498 1.00 0.00 WAT1 ATOM 4543 H2 TIP3 712 12.936 -45.972 -19.683 1.00 0.00 WAT1 ATOM 4544 OH2 TIP3 713 11.095 -46.443 -19.593 1.00 0.00 WAT1 ATOM 4545 H1 TIP3 713 10.918 -45.671 -19.011 1.00 0.00 WAT1 ATOM 4546 H2 TIP3 713 10.438 -46.352 -20.311 1.00 0.00 WAT1 ATOM 4547 OH2 TIP3 714 4.722 -49.841 -19.727 1.00 0.00 WAT1 ATOM 4548 H1 TIP3 714 4.547 -50.231 -18.855 1.00 0.00 WAT1 ATOM 4549 H2 TIP3 714 3.904 -50.033 -20.245 1.00 0.00 WAT1 ATOM 4550 OH2 TIP3 715 11.707 -36.031 -20.752 1.00 0.00 WAT1 ATOM 4551 H1 TIP3 715 11.142 -36.815 -20.579 1.00 0.00 WAT1 ATOM 4552 H2 TIP3 715 12.605 -36.364 -20.660 1.00 0.00 WAT1 ATOM 4553 OH2 TIP3 716 9.191 -38.398 -22.915 1.00 0.00 WAT1 ATOM 4554 H1 TIP3 716 9.206 -39.333 -23.215 1.00 0.00 WAT1 ATOM 4555 H2 TIP3 716 8.389 -38.025 -23.335 1.00 0.00 WAT1 ATOM 4556 OH2 TIP3 717 14.539 -42.608 -16.368 1.00 0.00 WAT1 ATOM 4557 H1 TIP3 717 15.041 -42.839 -15.552 1.00 0.00 WAT1 ATOM 4558 H2 TIP3 717 15.127 -42.892 -17.095 1.00 0.00 WAT1 ATOM 4559 OH2 TIP3 718 10.745 -44.022 -14.274 1.00 0.00 WAT1 ATOM 4560 H1 TIP3 718 11.231 -43.192 -14.344 1.00 0.00 WAT1 ATOM 4561 H2 TIP3 718 11.049 -44.406 -13.417 1.00 0.00 WAT1 ATOM 4562 OH2 TIP3 719 6.281 -41.581 -23.534 1.00 0.00 WAT1 ATOM 4563 H1 TIP3 719 6.036 -41.684 -22.587 1.00 0.00 WAT1 ATOM 4564 H2 TIP3 719 5.985 -42.431 -23.950 1.00 0.00 WAT1 ATOM 4565 OH2 TIP3 720 3.244 -40.380 -19.324 1.00 0.00 WAT1 ATOM 4566 H1 TIP3 720 3.620 -41.253 -19.060 1.00 0.00 WAT1 ATOM 4567 H2 TIP3 720 2.859 -40.545 -20.211 1.00 0.00 WAT1 ATOM 4568 OH2 TIP3 721 4.891 -38.868 -26.155 1.00 0.00 WAT1 ATOM 4569 H1 TIP3 721 5.770 -39.311 -26.121 1.00 0.00 WAT1 ATOM 4570 H2 TIP3 721 4.727 -38.741 -27.092 1.00 0.00 WAT1 ATOM 4571 OH2 TIP3 722 4.111 -29.057 -22.979 1.00 0.00 WAT1 ATOM 4572 H1 TIP3 722 4.366 -29.233 -23.893 1.00 0.00 WAT1 ATOM 4573 H2 TIP3 722 4.876 -29.378 -22.448 1.00 0.00 WAT1 ATOM 4574 OH2 TIP3 723 10.789 -44.222 -18.042 1.00 0.00 WAT1 ATOM 4575 H1 TIP3 723 10.807 -43.383 -18.556 1.00 0.00 WAT1 ATOM 4576 H2 TIP3 723 9.962 -44.165 -17.516 1.00 0.00 WAT1 ATOM 4577 OH2 TIP3 724 8.742 -44.106 -16.227 1.00 0.00 WAT1 ATOM 4578 H1 TIP3 724 8.408 -43.184 -16.290 1.00 0.00 WAT1 ATOM 4579 H2 TIP3 724 9.299 -44.104 -15.419 1.00 0.00 WAT1 ATOM 4580 OH2 TIP3 725 5.129 -42.066 -21.100 1.00 0.00 WAT1 ATOM 4581 H1 TIP3 725 4.237 -41.832 -21.445 1.00 0.00 WAT1 ATOM 4582 H2 TIP3 725 4.957 -42.337 -20.167 1.00 0.00 WAT1 ATOM 4583 OH2 TIP3 726 9.069 -41.110 -23.458 1.00 0.00 WAT1 ATOM 4584 H1 TIP3 726 8.148 -41.404 -23.339 1.00 0.00 WAT1 ATOM 4585 H2 TIP3 726 9.603 -41.821 -23.047 1.00 0.00 WAT1 ATOM 4586 OH2 TIP3 727 10.367 -43.110 -21.930 1.00 0.00 WAT1 ATOM 4587 H1 TIP3 727 11.250 -43.522 -22.081 1.00 0.00 WAT1 ATOM 4588 H2 TIP3 727 10.459 -42.667 -21.060 1.00 0.00 WAT1 ATOM 4589 OH2 TIP3 728 -5.818 -43.900 -19.343 1.00 0.00 WAT1 ATOM 4590 H1 TIP3 728 -4.857 -44.099 -19.334 1.00 0.00 WAT1 ATOM 4591 H2 TIP3 728 -5.974 -43.513 -20.237 1.00 0.00 WAT1 ATOM 4592 OH2 TIP3 729 3.752 -45.005 -20.116 1.00 0.00 WAT1 ATOM 4593 H1 TIP3 729 4.355 -45.691 -19.752 1.00 0.00 WAT1 ATOM 4594 H2 TIP3 729 3.916 -44.214 -19.549 1.00 0.00 WAT1 ATOM 4595 OH2 TIP3 730 2.664 -41.200 -21.871 1.00 0.00 WAT1 ATOM 4596 H1 TIP3 730 1.963 -41.764 -22.261 1.00 0.00 WAT1 ATOM 4597 H2 TIP3 730 2.971 -40.642 -22.621 1.00 0.00 WAT1 ATOM 4598 OH2 TIP3 731 5.308 -43.929 -24.432 1.00 0.00 WAT1 ATOM 4599 H1 TIP3 731 5.594 -44.788 -24.753 1.00 0.00 WAT1 ATOM 4600 H2 TIP3 731 4.515 -44.129 -23.880 1.00 0.00 WAT1 ATOM 4601 OH2 TIP3 732 12.834 -44.285 -21.911 1.00 0.00 WAT1 ATOM 4602 H1 TIP3 732 13.544 -44.466 -22.531 1.00 0.00 WAT1 ATOM 4603 H2 TIP3 732 13.172 -44.613 -21.053 1.00 0.00 WAT1 ATOM 4604 OH2 TIP3 733 0.886 -43.060 -22.852 1.00 0.00 WAT1 ATOM 4605 H1 TIP3 733 0.141 -43.150 -22.211 1.00 0.00 WAT1 ATOM 4606 H2 TIP3 733 0.459 -43.106 -23.713 1.00 0.00 WAT1 ATOM 4607 OH2 TIP3 734 16.273 -36.888 -15.274 1.00 0.00 WAT1 ATOM 4608 H1 TIP3 734 16.922 -37.068 -15.975 1.00 0.00 WAT1 ATOM 4609 H2 TIP3 734 15.961 -35.976 -15.469 1.00 0.00 WAT1 ATOM 4610 OH2 TIP3 735 8.827 -40.205 -18.862 1.00 0.00 WAT1 ATOM 4611 H1 TIP3 735 7.907 -39.957 -19.102 1.00 0.00 WAT1 ATOM 4612 H2 TIP3 735 8.721 -40.731 -18.045 1.00 0.00 WAT1 ATOM 4613 OH2 TIP3 736 10.068 -38.185 -20.354 1.00 0.00 WAT1 ATOM 4614 H1 TIP3 736 9.765 -38.359 -21.278 1.00 0.00 WAT1 ATOM 4615 H2 TIP3 736 9.704 -38.933 -19.836 1.00 0.00 WAT1 ATOM 4616 OH2 TIP3 737 7.008 -37.060 -24.014 1.00 0.00 WAT1 ATOM 4617 H1 TIP3 737 6.311 -37.144 -23.319 1.00 0.00 WAT1 ATOM 4618 H2 TIP3 737 6.554 -37.307 -24.830 1.00 0.00 WAT1 ATOM 4619 OH2 TIP3 738 4.968 -32.847 -18.781 1.00 0.00 WAT1 ATOM 4620 H1 TIP3 738 4.704 -33.635 -18.259 1.00 0.00 WAT1 ATOM 4621 H2 TIP3 738 5.764 -33.148 -19.275 1.00 0.00 WAT1 ATOM 4622 OH2 TIP3 739 7.955 -41.509 -16.535 1.00 0.00 WAT1 ATOM 4623 H1 TIP3 739 6.977 -41.540 -16.632 1.00 0.00 WAT1 ATOM 4624 H2 TIP3 739 8.114 -40.732 -15.956 1.00 0.00 WAT1 ATOM 4625 OH2 TIP3 740 6.435 -44.501 -21.326 1.00 0.00 WAT1 ATOM 4626 H1 TIP3 740 5.621 -44.986 -21.514 1.00 0.00 WAT1 ATOM 4627 H2 TIP3 740 6.149 -43.567 -21.284 1.00 0.00 WAT1 ATOM 4628 OH2 TIP3 741 8.980 -45.438 -21.140 1.00 0.00 WAT1 ATOM 4629 H1 TIP3 741 9.513 -44.715 -21.529 1.00 0.00 WAT1 ATOM 4630 H2 TIP3 741 8.049 -45.139 -21.265 1.00 0.00 WAT1 ATOM 4631 OH2 TIP3 742 11.412 -46.720 -14.985 1.00 0.00 WAT1 ATOM 4632 H1 TIP3 742 11.205 -45.767 -15.043 1.00 0.00 WAT1 ATOM 4633 H2 TIP3 742 11.404 -47.028 -15.920 1.00 0.00 WAT1 ATOM 4634 OH2 TIP3 743 14.268 -40.924 -18.585 1.00 0.00 WAT1 ATOM 4635 H1 TIP3 743 14.677 -40.041 -18.452 1.00 0.00 WAT1 ATOM 4636 H2 TIP3 743 14.195 -41.289 -17.683 1.00 0.00 WAT1 ATOM 4637 OH2 TIP3 744 1.631 -46.308 -18.941 1.00 0.00 WAT1 ATOM 4638 H1 TIP3 744 2.274 -45.914 -19.568 1.00 0.00 WAT1 ATOM 4639 H2 TIP3 744 1.477 -47.210 -19.285 1.00 0.00 WAT1 ATOM 4640 OH2 TIP3 745 8.041 -36.496 -19.534 1.00 0.00 WAT1 ATOM 4641 H1 TIP3 745 7.984 -36.790 -18.593 1.00 0.00 WAT1 ATOM 4642 H2 TIP3 745 8.829 -36.961 -19.881 1.00 0.00 WAT1 ATOM 4643 OH2 TIP3 746 3.630 -36.060 -13.514 1.00 0.00 WAT1 ATOM 4644 H1 TIP3 746 3.380 -37.000 -13.474 1.00 0.00 WAT1 ATOM 4645 H2 TIP3 746 4.478 -36.018 -12.997 1.00 0.00 WAT1 ATOM 4646 OH2 TIP3 747 7.663 -46.670 -16.324 1.00 0.00 WAT1 ATOM 4647 H1 TIP3 747 7.931 -45.726 -16.295 1.00 0.00 WAT1 ATOM 4648 H2 TIP3 747 7.808 -46.928 -17.259 1.00 0.00 WAT1 ATOM 4649 OH2 TIP3 748 11.998 -44.826 -11.960 1.00 0.00 WAT1 ATOM 4650 H1 TIP3 748 12.150 -45.675 -11.495 1.00 0.00 WAT1 ATOM 4651 H2 TIP3 748 12.826 -44.337 -11.827 1.00 0.00 WAT1 ATOM 4652 OH2 TIP3 749 5.302 -47.301 -14.875 1.00 0.00 WAT1 ATOM 4653 H1 TIP3 749 4.665 -47.433 -15.608 1.00 0.00 WAT1 ATOM 4654 H2 TIP3 749 6.151 -47.115 -15.331 1.00 0.00 WAT1 ATOM 4655 OH2 TIP3 750 -0.919 -29.503 -20.200 1.00 0.00 WAT1 ATOM 4656 H1 TIP3 750 -0.782 -28.538 -20.305 1.00 0.00 WAT1 ATOM 4657 H2 TIP3 750 -0.151 -29.898 -20.641 1.00 0.00 WAT1 ATOM 4658 OH2 TIP3 751 1.893 -29.089 -21.296 1.00 0.00 WAT1 ATOM 4659 H1 TIP3 751 2.374 -29.710 -20.708 1.00 0.00 WAT1 ATOM 4660 H2 TIP3 751 2.453 -29.044 -22.098 1.00 0.00 WAT1 ATOM 4661 OH2 TIP3 752 20.026 -37.068 -16.129 1.00 0.00 WAT1 ATOM 4662 H1 TIP3 752 19.129 -37.031 -16.514 1.00 0.00 WAT1 ATOM 4663 H2 TIP3 752 20.556 -37.548 -16.804 1.00 0.00 WAT1 ATOM 4664 OH2 TIP3 753 16.962 -35.686 -12.899 1.00 0.00 WAT1 ATOM 4665 H1 TIP3 753 17.657 -36.171 -12.397 1.00 0.00 WAT1 ATOM 4666 H2 TIP3 753 16.712 -36.306 -13.623 1.00 0.00 WAT1 ATOM 4667 OH2 TIP3 754 13.234 -37.968 -9.758 1.00 0.00 WAT1 ATOM 4668 H1 TIP3 754 12.555 -37.293 -9.585 1.00 0.00 WAT1 ATOM 4669 H2 TIP3 754 12.892 -38.770 -9.310 1.00 0.00 WAT1 ATOM 4670 OH2 TIP3 755 13.147 -44.937 -16.808 1.00 0.00 WAT1 ATOM 4671 H1 TIP3 755 12.280 -44.671 -17.181 1.00 0.00 WAT1 ATOM 4672 H2 TIP3 755 13.547 -44.096 -16.508 1.00 0.00 WAT1 ATOM 4673 OH2 TIP3 756 -0.795 -45.522 -18.044 1.00 0.00 WAT1 ATOM 4674 H1 TIP3 756 0.026 -45.777 -18.523 1.00 0.00 WAT1 ATOM 4675 H2 TIP3 756 -0.464 -45.083 -17.235 1.00 0.00 WAT1 ATOM 4676 OH2 TIP3 757 9.129 -35.362 -23.366 1.00 0.00 WAT1 ATOM 4677 H1 TIP3 757 9.722 -36.039 -23.008 1.00 0.00 WAT1 ATOM 4678 H2 TIP3 757 8.359 -35.871 -23.696 1.00 0.00 WAT1 ATOM 4679 OH2 TIP3 758 -4.329 -46.849 -18.208 1.00 0.00 WAT1 ATOM 4680 H1 TIP3 758 -5.257 -46.676 -17.964 1.00 0.00 WAT1 ATOM 4681 H2 TIP3 758 -3.995 -45.981 -18.502 1.00 0.00 WAT1 ATOM 4682 OH2 TIP3 759 3.819 -33.495 -9.244 1.00 0.00 WAT1 ATOM 4683 H1 TIP3 759 4.246 -32.912 -8.610 1.00 0.00 WAT1 ATOM 4684 H2 TIP3 759 4.571 -34.011 -9.638 1.00 0.00 WAT1 ATOM 4685 OH2 TIP3 760 14.182 -47.303 -14.986 1.00 0.00 WAT1 ATOM 4686 H1 TIP3 760 13.275 -46.943 -15.034 1.00 0.00 WAT1 ATOM 4687 H2 TIP3 760 14.717 -46.656 -15.465 1.00 0.00 WAT1 ATOM 4688 OH2 TIP3 761 4.738 -35.182 -17.306 1.00 0.00 WAT1 ATOM 4689 H1 TIP3 761 5.494 -35.325 -16.700 1.00 0.00 WAT1 ATOM 4690 H2 TIP3 761 4.821 -35.901 -17.967 1.00 0.00 WAT1 ATOM 4691 OH2 TIP3 762 8.395 -33.854 -13.804 1.00 0.00 WAT1 ATOM 4692 H1 TIP3 762 7.703 -33.485 -13.217 1.00 0.00 WAT1 ATOM 4693 H2 TIP3 762 9.209 -33.823 -13.262 1.00 0.00 WAT1 ATOM 4694 OH2 TIP3 763 6.675 -35.471 -15.207 1.00 0.00 WAT1 ATOM 4695 H1 TIP3 763 7.379 -34.842 -14.924 1.00 0.00 WAT1 ATOM 4696 H2 TIP3 763 6.186 -35.659 -14.386 1.00 0.00 WAT1 ATOM 4697 OH2 TIP3 764 3.570 -30.653 -19.709 1.00 0.00 WAT1 ATOM 4698 H1 TIP3 764 3.593 -30.395 -18.770 1.00 0.00 WAT1 ATOM 4699 H2 TIP3 764 3.873 -31.587 -19.701 1.00 0.00 WAT1 ATOM 4700 OH2 TIP3 765 4.502 -30.683 -17.056 1.00 0.00 WAT1 ATOM 4701 H1 TIP3 765 4.733 -31.458 -17.612 1.00 0.00 WAT1 ATOM 4702 H2 TIP3 765 4.672 -30.993 -16.139 1.00 0.00 WAT1 ATOM 4703 OH2 TIP3 766 7.859 -47.010 -19.107 1.00 0.00 WAT1 ATOM 4704 H1 TIP3 766 8.301 -46.479 -19.802 1.00 0.00 WAT1 ATOM 4705 H2 TIP3 766 6.901 -46.860 -19.264 1.00 0.00 WAT1 ATOM 4706 OH2 TIP3 767 2.221 -50.213 -20.786 1.00 0.00 WAT1 ATOM 4707 H1 TIP3 767 1.621 -49.780 -20.137 1.00 0.00 WAT1 ATOM 4708 H2 TIP3 767 1.634 -50.520 -21.482 1.00 0.00 WAT1 ATOM 4709 OH2 TIP3 768 3.296 -44.473 -22.728 1.00 0.00 WAT1 ATOM 4710 H1 TIP3 768 2.438 -44.007 -22.783 1.00 0.00 WAT1 ATOM 4711 H2 TIP3 768 3.381 -44.705 -21.780 1.00 0.00 WAT1 ATOM 4712 OH2 TIP3 769 0.008 -44.985 -11.936 1.00 0.00 WAT1 ATOM 4713 H1 TIP3 769 -0.513 -45.294 -12.710 1.00 0.00 WAT1 ATOM 4714 H2 TIP3 769 0.719 -44.451 -12.329 1.00 0.00 WAT1 ATOM 4715 OH2 TIP3 770 0.054 -40.708 -11.121 1.00 0.00 WAT1 ATOM 4716 H1 TIP3 770 0.712 -41.398 -11.002 1.00 0.00 WAT1 ATOM 4717 H2 TIP3 770 -0.480 -41.014 -11.881 1.00 0.00 WAT1 ATOM 4718 OH2 TIP3 771 2.421 -35.050 -11.214 1.00 0.00 WAT1 ATOM 4719 H1 TIP3 771 3.079 -34.516 -10.734 1.00 0.00 WAT1 ATOM 4720 H2 TIP3 771 2.837 -35.227 -12.079 1.00 0.00 WAT1 ATOM 4721 OH2 TIP3 772 0.566 -36.372 -9.787 1.00 0.00 WAT1 ATOM 4722 H1 TIP3 772 1.256 -36.870 -9.341 1.00 0.00 WAT1 ATOM 4723 H2 TIP3 772 1.051 -35.862 -10.480 1.00 0.00 WAT1 ATOM 4724 OH2 TIP3 773 16.175 -38.613 -2.095 1.00 0.00 WAT1 ATOM 4725 H1 TIP3 773 16.066 -37.726 -1.728 1.00 0.00 WAT1 ATOM 4726 H2 TIP3 773 15.507 -39.148 -1.622 1.00 0.00 WAT1 ATOM 4727 OH2 TIP3 774 -2.580 -42.615 -11.006 1.00 0.00 WAT1 ATOM 4728 H1 TIP3 774 -2.230 -42.380 -11.885 1.00 0.00 WAT1 ATOM 4729 H2 TIP3 774 -2.710 -41.768 -10.567 1.00 0.00 WAT1 ATOM 4730 OH2 TIP3 775 -3.588 -33.603 -6.301 1.00 0.00 WAT1 ATOM 4731 H1 TIP3 775 -2.678 -33.258 -6.430 1.00 0.00 WAT1 ATOM 4732 H2 TIP3 775 -4.126 -33.083 -6.911 1.00 0.00 WAT1 ATOM 4733 OH2 TIP3 776 0.989 -33.635 -8.452 1.00 0.00 WAT1 ATOM 4734 H1 TIP3 776 0.701 -34.456 -8.888 1.00 0.00 WAT1 ATOM 4735 H2 TIP3 776 1.900 -33.498 -8.781 1.00 0.00 WAT1 ATOM 4736 OH2 TIP3 777 17.254 -41.922 20.934 1.00 0.00 WAT1 ATOM 4737 H1 TIP3 777 17.682 -41.549 21.738 1.00 0.00 WAT1 ATOM 4738 H2 TIP3 777 16.887 -41.140 20.478 1.00 0.00 WAT1 ATOM 4739 OH2 TIP3 778 14.657 -37.726 20.884 1.00 0.00 WAT1 ATOM 4740 H1 TIP3 778 14.295 -37.536 21.780 1.00 0.00 WAT1 ATOM 4741 H2 TIP3 778 13.864 -37.959 20.353 1.00 0.00 WAT1 ATOM 4742 OH2 TIP3 779 6.856 -45.430 24.508 1.00 0.00 WAT1 ATOM 4743 H1 TIP3 779 7.006 -46.367 24.690 1.00 0.00 WAT1 ATOM 4744 H2 TIP3 779 6.319 -45.429 23.694 1.00 0.00 WAT1 ATOM 4745 OH2 TIP3 780 11.507 -39.278 25.366 1.00 0.00 WAT1 ATOM 4746 H1 TIP3 780 11.211 -38.595 24.695 1.00 0.00 WAT1 ATOM 4747 H2 TIP3 780 10.876 -40.031 25.229 1.00 0.00 WAT1 ATOM 4748 OH2 TIP3 781 12.085 -44.139 19.402 1.00 0.00 WAT1 ATOM 4749 H1 TIP3 781 11.925 -43.869 18.477 1.00 0.00 WAT1 ATOM 4750 H2 TIP3 781 11.314 -43.807 19.887 1.00 0.00 WAT1 ATOM 4751 OH2 TIP3 782 6.275 -32.962 28.416 1.00 0.00 WAT1 ATOM 4752 H1 TIP3 782 5.409 -33.406 28.485 1.00 0.00 WAT1 ATOM 4753 H2 TIP3 782 6.466 -32.676 29.329 1.00 0.00 WAT1 ATOM 4754 OH2 TIP3 783 9.673 -41.191 25.011 1.00 0.00 WAT1 ATOM 4755 H1 TIP3 783 9.143 -40.908 24.236 1.00 0.00 WAT1 ATOM 4756 H2 TIP3 783 9.492 -42.152 25.080 1.00 0.00 WAT1 ATOM 4757 OH2 TIP3 784 9.207 -43.895 24.700 1.00 0.00 WAT1 ATOM 4758 H1 TIP3 784 9.888 -44.605 24.710 1.00 0.00 WAT1 ATOM 4759 H2 TIP3 784 8.355 -44.378 24.719 1.00 0.00 WAT1 ATOM 4760 OH2 TIP3 785 7.566 -35.740 24.102 1.00 0.00 WAT1 ATOM 4761 H1 TIP3 785 8.464 -35.763 23.691 1.00 0.00 WAT1 ATOM 4762 H2 TIP3 785 7.468 -36.611 24.509 1.00 0.00 WAT1 ATOM 4763 OH2 TIP3 786 12.636 -42.789 23.355 1.00 0.00 WAT1 ATOM 4764 H1 TIP3 786 11.700 -42.875 23.084 1.00 0.00 WAT1 ATOM 4765 H2 TIP3 786 13.106 -42.566 22.520 1.00 0.00 WAT1 ATOM 4766 OH2 TIP3 787 14.170 -44.929 24.219 1.00 0.00 WAT1 ATOM 4767 H1 TIP3 787 13.479 -44.251 24.079 1.00 0.00 WAT1 ATOM 4768 H2 TIP3 787 14.972 -44.537 23.810 1.00 0.00 WAT1 ATOM 4769 OH2 TIP3 788 12.373 -46.596 21.419 1.00 0.00 WAT1 ATOM 4770 H1 TIP3 788 12.519 -46.074 20.613 1.00 0.00 WAT1 ATOM 4771 H2 TIP3 788 11.898 -45.991 22.011 1.00 0.00 WAT1 ATOM 4772 OH2 TIP3 789 19.476 -47.820 14.950 1.00 0.00 WAT1 ATOM 4773 H1 TIP3 789 19.385 -48.701 14.532 1.00 0.00 WAT1 ATOM 4774 H2 TIP3 789 19.430 -47.194 14.202 1.00 0.00 WAT1 ATOM 4775 OH2 TIP3 790 19.330 -50.447 14.077 1.00 0.00 WAT1 ATOM 4776 H1 TIP3 790 19.107 -50.863 13.211 1.00 0.00 WAT1 ATOM 4777 H2 TIP3 790 20.175 -50.845 14.320 1.00 0.00 WAT1 ATOM 4778 OH2 TIP3 791 12.155 -46.870 12.580 1.00 0.00 WAT1 ATOM 4779 H1 TIP3 791 11.994 -45.935 12.871 1.00 0.00 WAT1 ATOM 4780 H2 TIP3 791 11.465 -47.032 11.926 1.00 0.00 WAT1 ATOM 4781 OH2 TIP3 792 0.788 -48.433 22.599 1.00 0.00 WAT1 ATOM 4782 H1 TIP3 792 1.135 -47.628 22.150 1.00 0.00 WAT1 ATOM 4783 H2 TIP3 792 0.211 -48.084 23.290 1.00 0.00 WAT1 ATOM 4784 OH2 TIP3 793 -2.057 -47.490 20.156 1.00 0.00 WAT1 ATOM 4785 H1 TIP3 793 -1.446 -46.933 19.639 1.00 0.00 WAT1 ATOM 4786 H2 TIP3 793 -1.972 -48.377 19.746 1.00 0.00 WAT1 ATOM 4787 OH2 TIP3 794 11.061 -45.872 24.301 1.00 0.00 WAT1 ATOM 4788 H1 TIP3 794 10.577 -46.725 24.199 1.00 0.00 WAT1 ATOM 4789 H2 TIP3 794 11.945 -46.134 24.592 1.00 0.00 WAT1 ATOM 4790 OH2 TIP3 795 0.334 -45.047 26.324 1.00 0.00 WAT1 ATOM 4791 H1 TIP3 795 0.338 -45.991 26.132 1.00 0.00 WAT1 ATOM 4792 H2 TIP3 795 0.464 -44.622 25.446 1.00 0.00 WAT1 ATOM 4793 OH2 TIP3 796 -2.144 -37.145 28.035 1.00 0.00 WAT1 ATOM 4794 H1 TIP3 796 -1.190 -37.314 27.868 1.00 0.00 WAT1 ATOM 4795 H2 TIP3 796 -2.422 -37.896 28.610 1.00 0.00 WAT1 ATOM 4796 OH2 TIP3 797 6.693 -36.796 28.192 1.00 0.00 WAT1 ATOM 4797 H1 TIP3 797 6.431 -36.323 29.004 1.00 0.00 WAT1 ATOM 4798 H2 TIP3 797 7.667 -36.733 28.187 1.00 0.00 WAT1 ATOM 4799 OH2 TIP3 798 6.153 -39.273 23.325 1.00 0.00 WAT1 ATOM 4800 H1 TIP3 798 5.232 -39.193 22.977 1.00 0.00 WAT1 ATOM 4801 H2 TIP3 798 6.120 -38.820 24.191 1.00 0.00 WAT1 ATOM 4802 OH2 TIP3 799 8.304 -40.847 22.596 1.00 0.00 WAT1 ATOM 4803 H1 TIP3 799 7.535 -40.322 22.925 1.00 0.00 WAT1 ATOM 4804 H2 TIP3 799 8.231 -40.789 21.626 1.00 0.00 WAT1 ATOM 4805 OH2 TIP3 800 -0.636 -40.816 29.616 1.00 0.00 WAT1 ATOM 4806 H1 TIP3 800 -0.222 -41.041 28.755 1.00 0.00 WAT1 ATOM 4807 H2 TIP3 800 -1.139 -41.626 29.860 1.00 0.00 WAT1 ATOM 4808 OH2 TIP3 801 15.322 -33.294 25.160 1.00 0.00 WAT1 ATOM 4809 H1 TIP3 801 14.494 -33.336 25.678 1.00 0.00 WAT1 ATOM 4810 H2 TIP3 801 15.692 -34.196 25.229 1.00 0.00 WAT1 ATOM 4811 OH2 TIP3 802 8.817 -33.860 27.644 1.00 0.00 WAT1 ATOM 4812 H1 TIP3 802 9.023 -34.811 27.794 1.00 0.00 WAT1 ATOM 4813 H2 TIP3 802 7.879 -33.773 27.917 1.00 0.00 WAT1 ATOM 4814 OH2 TIP3 803 12.734 -33.820 29.206 1.00 0.00 WAT1 ATOM 4815 H1 TIP3 803 12.397 -34.677 29.547 1.00 0.00 WAT1 ATOM 4816 H2 TIP3 803 11.978 -33.201 29.327 1.00 0.00 WAT1 ATOM 4817 OH2 TIP3 804 3.230 -45.584 24.106 1.00 0.00 WAT1 ATOM 4818 H1 TIP3 804 3.671 -45.109 24.838 1.00 0.00 WAT1 ATOM 4819 H2 TIP3 804 3.966 -45.952 23.584 1.00 0.00 WAT1 ATOM 4820 OH2 TIP3 805 0.506 -38.519 30.435 1.00 0.00 WAT1 ATOM 4821 H1 TIP3 805 0.251 -39.441 30.215 1.00 0.00 WAT1 ATOM 4822 H2 TIP3 805 -0.022 -38.310 31.228 1.00 0.00 WAT1 ATOM 4823 OH2 TIP3 806 2.780 -49.638 24.304 1.00 0.00 WAT1 ATOM 4824 H1 TIP3 806 3.031 -50.515 23.953 1.00 0.00 WAT1 ATOM 4825 H2 TIP3 806 2.121 -49.305 23.670 1.00 0.00 WAT1 ATOM 4826 OH2 TIP3 807 -2.462 -43.747 24.399 1.00 0.00 WAT1 ATOM 4827 H1 TIP3 807 -2.328 -42.997 25.024 1.00 0.00 WAT1 ATOM 4828 H2 TIP3 807 -1.556 -44.010 24.149 1.00 0.00 WAT1 ATOM 4829 OH2 TIP3 808 -1.250 -38.040 32.526 1.00 0.00 WAT1 ATOM 4830 H1 TIP3 808 -2.159 -38.408 32.517 1.00 0.00 WAT1 ATOM 4831 H2 TIP3 808 -1.379 -37.087 32.454 1.00 0.00 WAT1 ATOM 4832 OH2 TIP3 809 4.565 -41.831 24.526 1.00 0.00 WAT1 ATOM 4833 H1 TIP3 809 5.041 -42.069 23.704 1.00 0.00 WAT1 ATOM 4834 H2 TIP3 809 4.262 -40.917 24.370 1.00 0.00 WAT1 ATOM 4835 OH2 TIP3 810 5.829 -37.933 25.779 1.00 0.00 WAT1 ATOM 4836 H1 TIP3 810 4.872 -37.900 25.879 1.00 0.00 WAT1 ATOM 4837 H2 TIP3 810 6.172 -37.552 26.616 1.00 0.00 WAT1 ATOM 4838 OH2 TIP3 811 4.714 -44.133 25.919 1.00 0.00 WAT1 ATOM 4839 H1 TIP3 811 4.722 -43.234 25.508 1.00 0.00 WAT1 ATOM 4840 H2 TIP3 811 5.586 -44.504 25.689 1.00 0.00 WAT1 ATOM 4841 OH2 TIP3 812 6.234 -35.400 30.572 1.00 0.00 WAT1 ATOM 4842 H1 TIP3 812 6.305 -34.438 30.760 1.00 0.00 WAT1 ATOM 4843 H2 TIP3 812 6.631 -35.820 31.342 1.00 0.00 WAT1 ATOM 4844 OH2 TIP3 813 13.988 -37.028 28.342 1.00 0.00 WAT1 ATOM 4845 H1 TIP3 813 13.964 -37.462 27.468 1.00 0.00 WAT1 ATOM 4846 H2 TIP3 813 14.901 -36.693 28.415 1.00 0.00 WAT1 ATOM 4847 OH2 TIP3 814 10.462 -32.290 29.160 1.00 0.00 WAT1 ATOM 4848 H1 TIP3 814 9.899 -32.927 28.667 1.00 0.00 WAT1 ATOM 4849 H2 TIP3 814 9.838 -31.577 29.422 1.00 0.00 WAT1 ATOM 4850 OH2 TIP3 815 12.886 -33.547 26.470 1.00 0.00 WAT1 ATOM 4851 H1 TIP3 815 12.555 -32.622 26.573 1.00 0.00 WAT1 ATOM 4852 H2 TIP3 815 12.923 -33.887 27.387 1.00 0.00 WAT1 ATOM 4853 OH2 TIP3 816 9.465 -36.412 28.451 1.00 0.00 WAT1 ATOM 4854 H1 TIP3 816 9.591 -37.315 28.068 1.00 0.00 WAT1 ATOM 4855 H2 TIP3 816 10.266 -36.275 28.998 1.00 0.00 WAT1 ATOM 4856 OH2 TIP3 817 6.247 -32.673 31.200 1.00 0.00 WAT1 ATOM 4857 H1 TIP3 817 6.718 -32.002 31.709 1.00 0.00 WAT1 ATOM 4858 H2 TIP3 817 5.302 -32.391 31.247 1.00 0.00 WAT1 ATOM 4859 OH2 TIP3 818 0.569 -41.154 27.134 1.00 0.00 WAT1 ATOM 4860 H1 TIP3 818 1.142 -40.406 26.910 1.00 0.00 WAT1 ATOM 4861 H2 TIP3 818 1.182 -41.931 27.135 1.00 0.00 WAT1 ATOM 4862 OH2 TIP3 819 8.583 -30.267 29.176 1.00 0.00 WAT1 ATOM 4863 H1 TIP3 819 7.683 -29.894 29.176 1.00 0.00 WAT1 ATOM 4864 H2 TIP3 819 9.033 -29.802 28.444 1.00 0.00 WAT1 ATOM 4865 OH2 TIP3 820 3.612 -31.985 31.028 1.00 0.00 WAT1 ATOM 4866 H1 TIP3 820 2.786 -31.510 30.882 1.00 0.00 WAT1 ATOM 4867 H2 TIP3 820 3.554 -32.760 30.428 1.00 0.00 WAT1 ATOM 4868 OH2 TIP3 821 2.323 -43.256 27.134 1.00 0.00 WAT1 ATOM 4869 H1 TIP3 821 1.717 -44.014 27.021 1.00 0.00 WAT1 ATOM 4870 H2 TIP3 821 3.206 -43.620 26.923 1.00 0.00 WAT1 ATOM 4871 OH2 TIP3 822 0.566 -37.583 27.906 1.00 0.00 WAT1 ATOM 4872 H1 TIP3 822 0.578 -37.925 28.832 1.00 0.00 WAT1 ATOM 4873 H2 TIP3 822 1.384 -37.957 27.505 1.00 0.00 WAT1 ATOM 4874 OH2 TIP3 823 1.312 -35.009 28.520 1.00 0.00 WAT1 ATOM 4875 H1 TIP3 823 0.406 -34.633 28.593 1.00 0.00 WAT1 ATOM 4876 H2 TIP3 823 1.156 -35.955 28.309 1.00 0.00 WAT1 ATOM 4877 OH2 TIP3 824 2.326 -33.158 26.755 1.00 0.00 WAT1 ATOM 4878 H1 TIP3 824 1.936 -33.771 27.413 1.00 0.00 WAT1 ATOM 4879 H2 TIP3 824 3.060 -33.655 26.377 1.00 0.00 WAT1 ATOM 4880 OH2 TIP3 825 2.887 -38.769 27.098 1.00 0.00 WAT1 ATOM 4881 H1 TIP3 825 3.625 -39.261 27.474 1.00 0.00 WAT1 ATOM 4882 H2 TIP3 825 2.911 -38.999 26.129 1.00 0.00 WAT1 ATOM 4883 OH2 TIP3 826 13.606 -41.007 25.197 1.00 0.00 WAT1 ATOM 4884 H1 TIP3 826 13.287 -41.719 24.595 1.00 0.00 WAT1 ATOM 4885 H2 TIP3 826 12.812 -40.450 25.341 1.00 0.00 WAT1 ATOM 4886 OH2 TIP3 827 2.147 -30.466 26.377 1.00 0.00 WAT1 ATOM 4887 H1 TIP3 827 1.352 -30.127 26.798 1.00 0.00 WAT1 ATOM 4888 H2 TIP3 827 2.105 -31.441 26.525 1.00 0.00 WAT1 ATOM 4889 OH2 TIP3 828 11.872 -36.347 29.885 1.00 0.00 WAT1 ATOM 4890 H1 TIP3 828 11.954 -36.921 30.652 1.00 0.00 WAT1 ATOM 4891 H2 TIP3 828 12.590 -36.653 29.277 1.00 0.00 WAT1 ATOM 4892 OH2 TIP3 829 9.775 -38.882 27.441 1.00 0.00 WAT1 ATOM 4893 H1 TIP3 829 9.077 -39.466 27.114 1.00 0.00 WAT1 ATOM 4894 H2 TIP3 829 10.489 -38.972 26.780 1.00 0.00 WAT1 ATOM 4895 OH2 TIP3 830 10.064 -43.041 22.204 1.00 0.00 WAT1 ATOM 4896 H1 TIP3 830 9.745 -43.478 23.019 1.00 0.00 WAT1 ATOM 4897 H2 TIP3 830 9.547 -42.211 22.167 1.00 0.00 WAT1 ATOM 4898 OH2 TIP3 831 -6.490 -42.434 30.200 1.00 0.00 WAT1 ATOM 4899 H1 TIP3 831 -5.864 -42.985 29.688 1.00 0.00 WAT1 ATOM 4900 H2 TIP3 831 -7.354 -42.671 29.850 1.00 0.00 WAT1 ATOM 4901 OH2 TIP3 832 -4.547 -43.627 28.569 1.00 0.00 WAT1 ATOM 4902 H1 TIP3 832 -4.242 -42.752 28.235 1.00 0.00 WAT1 ATOM 4903 H2 TIP3 832 -3.858 -44.259 28.248 1.00 0.00 WAT1 ATOM 4904 OH2 TIP3 833 3.873 -34.215 29.384 1.00 0.00 WAT1 ATOM 4905 H1 TIP3 833 4.382 -34.948 29.774 1.00 0.00 WAT1 ATOM 4906 H2 TIP3 833 3.010 -34.618 29.147 1.00 0.00 WAT1 ATOM 4907 OH2 TIP3 834 1.699 -45.916 21.857 1.00 0.00 WAT1 ATOM 4908 H1 TIP3 834 2.097 -45.713 22.731 1.00 0.00 WAT1 ATOM 4909 H2 TIP3 834 1.645 -45.044 21.414 1.00 0.00 WAT1 ATOM 4910 OH2 TIP3 835 -2.447 -45.025 27.504 1.00 0.00 WAT1 ATOM 4911 H1 TIP3 835 -1.523 -44.828 27.272 1.00 0.00 WAT1 ATOM 4912 H2 TIP3 835 -2.708 -45.723 26.863 1.00 0.00 WAT1 ATOM 4913 OH2 TIP3 836 7.986 -31.588 26.236 1.00 0.00 WAT1 ATOM 4914 H1 TIP3 836 8.400 -32.398 26.609 1.00 0.00 WAT1 ATOM 4915 H2 TIP3 836 7.100 -31.578 26.630 1.00 0.00 WAT1 ATOM 4916 OH2 TIP3 837 15.438 -33.569 28.896 1.00 0.00 WAT1 ATOM 4917 H1 TIP3 837 14.472 -33.674 29.051 1.00 0.00 WAT1 ATOM 4918 H2 TIP3 837 15.577 -32.617 28.914 1.00 0.00 WAT1 ATOM 4919 OH2 TIP3 838 8.379 -21.916 -21.288 1.00 0.00 WAT1 ATOM 4920 H1 TIP3 838 7.695 -22.184 -21.935 1.00 0.00 WAT1 ATOM 4921 H2 TIP3 838 9.224 -22.197 -21.704 1.00 0.00 WAT1 ATOM 4922 OH2 TIP3 839 0.672 -24.092 -14.136 1.00 0.00 WAT1 ATOM 4923 H1 TIP3 839 0.161 -23.947 -13.306 1.00 0.00 WAT1 ATOM 4924 H2 TIP3 839 0.272 -24.902 -14.523 1.00 0.00 WAT1 ATOM 4925 OH2 TIP3 840 11.906 -19.528 -19.102 1.00 0.00 WAT1 ATOM 4926 H1 TIP3 840 11.559 -18.620 -19.251 1.00 0.00 WAT1 ATOM 4927 H2 TIP3 840 12.602 -19.408 -18.419 1.00 0.00 WAT1 ATOM 4928 OH2 TIP3 841 6.250 -19.751 -17.345 1.00 0.00 WAT1 ATOM 4929 H1 TIP3 841 6.952 -20.184 -16.815 1.00 0.00 WAT1 ATOM 4930 H2 TIP3 841 6.559 -19.839 -18.276 1.00 0.00 WAT1 ATOM 4931 OH2 TIP3 842 12.140 -27.861 -20.747 1.00 0.00 WAT1 ATOM 4932 H1 TIP3 842 13.083 -28.034 -20.567 1.00 0.00 WAT1 ATOM 4933 H2 TIP3 842 11.788 -28.732 -21.017 1.00 0.00 WAT1 ATOM 4934 OH2 TIP3 843 0.381 -27.148 -17.704 1.00 0.00 WAT1 ATOM 4935 H1 TIP3 843 0.052 -26.978 -18.611 1.00 0.00 WAT1 ATOM 4936 H2 TIP3 843 1.354 -27.181 -17.811 1.00 0.00 WAT1 ATOM 4937 OH2 TIP3 844 8.679 -25.513 -23.076 1.00 0.00 WAT1 ATOM 4938 H1 TIP3 844 9.499 -25.658 -22.558 1.00 0.00 WAT1 ATOM 4939 H2 TIP3 844 8.889 -24.754 -23.650 1.00 0.00 WAT1 ATOM 4940 OH2 TIP3 845 2.355 -25.163 -20.196 1.00 0.00 WAT1 ATOM 4941 H1 TIP3 845 2.405 -25.696 -19.380 1.00 0.00 WAT1 ATOM 4942 H2 TIP3 845 2.939 -25.636 -20.823 1.00 0.00 WAT1 ATOM 4943 OH2 TIP3 846 0.032 -30.021 -12.727 1.00 0.00 WAT1 ATOM 4944 H1 TIP3 846 -0.631 -30.132 -13.458 1.00 0.00 WAT1 ATOM 4945 H2 TIP3 846 0.747 -30.623 -12.965 1.00 0.00 WAT1 ATOM 4946 OH2 TIP3 847 7.725 -15.611 -21.768 1.00 0.00 WAT1 ATOM 4947 H1 TIP3 847 7.067 -15.792 -22.446 1.00 0.00 WAT1 ATOM 4948 H2 TIP3 847 7.868 -14.662 -21.821 1.00 0.00 WAT1 ATOM 4949 OH2 TIP3 848 3.690 -19.321 -16.399 1.00 0.00 WAT1 ATOM 4950 H1 TIP3 848 3.239 -20.190 -16.467 1.00 0.00 WAT1 ATOM 4951 H2 TIP3 848 4.576 -19.483 -16.789 1.00 0.00 WAT1 ATOM 4952 OH2 TIP3 849 10.677 -24.036 -18.985 1.00 0.00 WAT1 ATOM 4953 H1 TIP3 849 11.402 -24.294 -18.367 1.00 0.00 WAT1 ATOM 4954 H2 TIP3 849 10.867 -23.103 -19.194 1.00 0.00 WAT1 ATOM 4955 OH2 TIP3 850 2.737 -21.880 -16.670 1.00 0.00 WAT1 ATOM 4956 H1 TIP3 850 3.022 -22.662 -16.145 1.00 0.00 WAT1 ATOM 4957 H2 TIP3 850 2.879 -22.157 -17.607 1.00 0.00 WAT1 ATOM 4958 OH2 TIP3 851 3.836 -16.654 -15.940 1.00 0.00 WAT1 ATOM 4959 H1 TIP3 851 3.820 -17.624 -16.112 1.00 0.00 WAT1 ATOM 4960 H2 TIP3 851 2.894 -16.399 -15.949 1.00 0.00 WAT1 ATOM 4961 OH2 TIP3 852 10.936 -16.960 -19.173 1.00 0.00 WAT1 ATOM 4962 H1 TIP3 852 10.472 -16.935 -18.297 1.00 0.00 WAT1 ATOM 4963 H2 TIP3 852 11.415 -16.126 -19.209 1.00 0.00 WAT1 ATOM 4964 OH2 TIP3 853 8.869 -32.321 -18.356 1.00 0.00 WAT1 ATOM 4965 H1 TIP3 853 8.218 -32.946 -18.747 1.00 0.00 WAT1 ATOM 4966 H2 TIP3 853 9.730 -32.641 -18.685 1.00 0.00 WAT1 ATOM 4967 OH2 TIP3 854 11.453 -19.022 -15.757 1.00 0.00 WAT1 ATOM 4968 H1 TIP3 854 11.152 -19.876 -16.123 1.00 0.00 WAT1 ATOM 4969 H2 TIP3 854 12.357 -18.914 -16.122 1.00 0.00 WAT1 ATOM 4970 OH2 TIP3 855 4.740 -21.031 -24.448 1.00 0.00 WAT1 ATOM 4971 H1 TIP3 855 4.315 -20.867 -25.295 1.00 0.00 WAT1 ATOM 4972 H2 TIP3 855 4.239 -20.468 -23.814 1.00 0.00 WAT1 ATOM 4973 OH2 TIP3 856 10.569 -21.540 -16.455 1.00 0.00 WAT1 ATOM 4974 H1 TIP3 856 10.269 -22.459 -16.278 1.00 0.00 WAT1 ATOM 4975 H2 TIP3 856 10.348 -21.399 -17.406 1.00 0.00 WAT1 ATOM 4976 OH2 TIP3 857 10.737 -22.923 -22.318 1.00 0.00 WAT1 ATOM 4977 H1 TIP3 857 11.415 -22.434 -21.792 1.00 0.00 WAT1 ATOM 4978 H2 TIP3 857 10.873 -23.862 -22.064 1.00 0.00 WAT1 ATOM 4979 OH2 TIP3 858 3.410 -19.616 -22.533 1.00 0.00 WAT1 ATOM 4980 H1 TIP3 858 3.681 -20.182 -21.784 1.00 0.00 WAT1 ATOM 4981 H2 TIP3 858 3.011 -18.847 -22.117 1.00 0.00 WAT1 ATOM 4982 OH2 TIP3 859 8.655 -17.863 -20.474 1.00 0.00 WAT1 ATOM 4983 H1 TIP3 859 9.499 -17.584 -20.068 1.00 0.00 WAT1 ATOM 4984 H2 TIP3 859 8.331 -17.057 -20.930 1.00 0.00 WAT1 ATOM 4985 OH2 TIP3 860 3.249 -22.800 -19.149 1.00 0.00 WAT1 ATOM 4986 H1 TIP3 860 2.809 -23.528 -19.637 1.00 0.00 WAT1 ATOM 4987 H2 TIP3 860 3.680 -22.265 -19.850 1.00 0.00 WAT1 ATOM 4988 OH2 TIP3 861 9.810 -17.007 -16.728 1.00 0.00 WAT1 ATOM 4989 H1 TIP3 861 8.950 -16.953 -16.287 1.00 0.00 WAT1 ATOM 4990 H2 TIP3 861 10.318 -17.650 -16.190 1.00 0.00 WAT1 ATOM 4991 OH2 TIP3 862 4.672 -15.022 -13.900 1.00 0.00 WAT1 ATOM 4992 H1 TIP3 862 5.595 -15.206 -13.679 1.00 0.00 WAT1 ATOM 4993 H2 TIP3 862 4.502 -15.568 -14.697 1.00 0.00 WAT1 ATOM 4994 OH2 TIP3 863 0.921 -21.381 -9.559 1.00 0.00 WAT1 ATOM 4995 H1 TIP3 863 1.583 -20.707 -9.826 1.00 0.00 WAT1 ATOM 4996 H2 TIP3 863 0.061 -21.001 -9.849 1.00 0.00 WAT1 ATOM 4997 OH2 TIP3 864 1.067 -16.388 -15.671 1.00 0.00 WAT1 ATOM 4998 H1 TIP3 864 0.521 -15.569 -15.558 1.00 0.00 WAT1 ATOM 4999 H2 TIP3 864 0.654 -16.844 -16.415 1.00 0.00 WAT1 ATOM 5000 OH2 TIP3 865 -1.102 -19.815 -14.182 1.00 0.00 WAT1 ATOM 5001 H1 TIP3 865 -0.430 -19.169 -13.889 1.00 0.00 WAT1 ATOM 5002 H2 TIP3 865 -0.584 -20.491 -14.675 1.00 0.00 WAT1 ATOM 5003 OH2 TIP3 866 6.648 -17.396 -15.955 1.00 0.00 WAT1 ATOM 5004 H1 TIP3 866 6.565 -18.141 -16.584 1.00 0.00 WAT1 ATOM 5005 H2 TIP3 866 5.783 -16.951 -16.001 1.00 0.00 WAT1 ATOM 5006 OH2 TIP3 867 1.103 -18.234 -13.608 1.00 0.00 WAT1 ATOM 5007 H1 TIP3 867 1.866 -18.773 -13.861 1.00 0.00 WAT1 ATOM 5008 H2 TIP3 867 1.096 -17.507 -14.266 1.00 0.00 WAT1 ATOM 5009 OH2 TIP3 868 3.081 -27.199 -18.509 1.00 0.00 WAT1 ATOM 5010 H1 TIP3 868 3.366 -27.611 -19.341 1.00 0.00 WAT1 ATOM 5011 H2 TIP3 868 3.788 -27.440 -17.868 1.00 0.00 WAT1 ATOM 5012 OH2 TIP3 869 7.593 -31.063 -16.170 1.00 0.00 WAT1 ATOM 5013 H1 TIP3 869 6.903 -31.582 -15.702 1.00 0.00 WAT1 ATOM 5014 H2 TIP3 869 8.019 -31.710 -16.766 1.00 0.00 WAT1 ATOM 5015 OH2 TIP3 870 3.197 -24.110 -15.183 1.00 0.00 WAT1 ATOM 5016 H1 TIP3 870 3.367 -25.063 -15.052 1.00 0.00 WAT1 ATOM 5017 H2 TIP3 870 2.349 -23.954 -14.712 1.00 0.00 WAT1 ATOM 5018 OH2 TIP3 871 0.226 -27.024 -20.473 1.00 0.00 WAT1 ATOM 5019 H1 TIP3 871 0.619 -26.145 -20.626 1.00 0.00 WAT1 ATOM 5020 H2 TIP3 871 0.863 -27.646 -20.889 1.00 0.00 WAT1 ATOM 5021 OH2 TIP3 872 6.517 -22.631 -23.199 1.00 0.00 WAT1 ATOM 5022 H1 TIP3 872 5.907 -22.075 -23.748 1.00 0.00 WAT1 ATOM 5023 H2 TIP3 872 7.300 -22.770 -23.780 1.00 0.00 WAT1 ATOM 5024 OH2 TIP3 873 3.418 -26.832 -14.805 1.00 0.00 WAT1 ATOM 5025 H1 TIP3 873 3.940 -27.282 -15.501 1.00 0.00 WAT1 ATOM 5026 H2 TIP3 873 2.573 -27.300 -14.800 1.00 0.00 WAT1 ATOM 5027 OH2 TIP3 874 4.173 -26.776 -21.413 1.00 0.00 WAT1 ATOM 5028 H1 TIP3 874 4.756 -26.267 -22.025 1.00 0.00 WAT1 ATOM 5029 H2 TIP3 874 4.025 -27.623 -21.882 1.00 0.00 WAT1 ATOM 5030 OH2 TIP3 875 7.297 -28.503 -15.493 1.00 0.00 WAT1 ATOM 5031 H1 TIP3 875 8.053 -28.424 -14.879 1.00 0.00 WAT1 ATOM 5032 H2 TIP3 875 7.300 -29.458 -15.745 1.00 0.00 WAT1 ATOM 5033 OH2 TIP3 876 3.068 -19.770 -10.068 1.00 0.00 WAT1 ATOM 5034 H1 TIP3 876 3.748 -20.375 -10.434 1.00 0.00 WAT1 ATOM 5035 H2 TIP3 876 3.133 -18.967 -10.624 1.00 0.00 WAT1 ATOM 5036 OH2 TIP3 877 8.120 -20.643 -15.475 1.00 0.00 WAT1 ATOM 5037 H1 TIP3 877 9.048 -20.825 -15.711 1.00 0.00 WAT1 ATOM 5038 H2 TIP3 877 8.173 -19.873 -14.865 1.00 0.00 WAT1 ATOM 5039 OH2 TIP3 878 8.992 -23.032 -24.379 1.00 0.00 WAT1 ATOM 5040 H1 TIP3 878 9.353 -22.747 -25.227 1.00 0.00 WAT1 ATOM 5041 H2 TIP3 878 9.726 -22.874 -23.739 1.00 0.00 WAT1 ATOM 5042 OH2 TIP3 879 4.834 -21.409 -20.929 1.00 0.00 WAT1 ATOM 5043 H1 TIP3 879 5.297 -21.768 -21.705 1.00 0.00 WAT1 ATOM 5044 H2 TIP3 879 5.489 -20.798 -20.521 1.00 0.00 WAT1 ATOM 5045 OH2 TIP3 880 -2.570 -21.755 -12.957 1.00 0.00 WAT1 ATOM 5046 H1 TIP3 880 -2.124 -21.022 -13.431 1.00 0.00 WAT1 ATOM 5047 H2 TIP3 880 -2.897 -22.336 -13.669 1.00 0.00 WAT1 ATOM 5048 OH2 TIP3 881 7.253 -17.053 -11.746 1.00 0.00 WAT1 ATOM 5049 H1 TIP3 881 6.553 -16.596 -11.245 1.00 0.00 WAT1 ATOM 5050 H2 TIP3 881 7.933 -17.261 -11.066 1.00 0.00 WAT1 ATOM 5051 OH2 TIP3 882 10.720 -19.620 -13.200 1.00 0.00 WAT1 ATOM 5052 H1 TIP3 882 11.140 -19.339 -14.041 1.00 0.00 WAT1 ATOM 5053 H2 TIP3 882 9.848 -19.183 -13.216 1.00 0.00 WAT1 ATOM 5054 OH2 TIP3 883 6.985 -19.933 -20.005 1.00 0.00 WAT1 ATOM 5055 H1 TIP3 883 7.484 -19.091 -20.151 1.00 0.00 WAT1 ATOM 5056 H2 TIP3 883 7.515 -20.604 -20.481 1.00 0.00 WAT1 ATOM 5057 OH2 TIP3 884 8.236 -18.380 -13.942 1.00 0.00 WAT1 ATOM 5058 H1 TIP3 884 7.677 -17.986 -14.649 1.00 0.00 WAT1 ATOM 5059 H2 TIP3 884 7.935 -17.923 -13.123 1.00 0.00 WAT1 ATOM 5060 OH2 TIP3 885 -0.644 -27.364 -12.529 1.00 0.00 WAT1 ATOM 5061 H1 TIP3 885 -0.473 -27.033 -13.435 1.00 0.00 WAT1 ATOM 5062 H2 TIP3 885 -0.279 -28.273 -12.533 1.00 0.00 WAT1 ATOM 5063 OH2 TIP3 886 8.801 -30.101 -21.628 1.00 0.00 WAT1 ATOM 5064 H1 TIP3 886 8.588 -30.042 -20.676 1.00 0.00 WAT1 ATOM 5065 H2 TIP3 886 8.056 -29.666 -22.061 1.00 0.00 WAT1 ATOM 5066 OH2 TIP3 887 6.023 -25.295 -22.630 1.00 0.00 WAT1 ATOM 5067 H1 TIP3 887 5.974 -24.366 -22.939 1.00 0.00 WAT1 ATOM 5068 H2 TIP3 887 6.936 -25.579 -22.881 1.00 0.00 WAT1 ATOM 5069 OH2 TIP3 888 8.848 -33.100 -21.953 1.00 0.00 WAT1 ATOM 5070 H1 TIP3 888 8.939 -33.851 -22.594 1.00 0.00 WAT1 ATOM 5071 H2 TIP3 888 8.747 -32.318 -22.512 1.00 0.00 WAT1 ATOM 5072 OH2 TIP3 889 5.875 -29.755 -21.031 1.00 0.00 WAT1 ATOM 5073 H1 TIP3 889 5.069 -30.121 -20.617 1.00 0.00 WAT1 ATOM 5074 H2 TIP3 889 6.561 -29.848 -20.338 1.00 0.00 WAT1 ATOM 5075 OH2 TIP3 890 -1.929 -12.656 -12.671 1.00 0.00 WAT1 ATOM 5076 H1 TIP3 890 -1.560 -12.509 -13.550 1.00 0.00 WAT1 ATOM 5077 H2 TIP3 890 -2.679 -13.261 -12.825 1.00 0.00 WAT1 ATOM 5078 OH2 TIP3 891 1.346 -14.311 -10.211 1.00 0.00 WAT1 ATOM 5079 H1 TIP3 891 1.548 -14.474 -11.158 1.00 0.00 WAT1 ATOM 5080 H2 TIP3 891 2.198 -13.992 -9.838 1.00 0.00 WAT1 ATOM 5081 OH2 TIP3 892 8.900 -17.883 -9.749 1.00 0.00 WAT1 ATOM 5082 H1 TIP3 892 8.352 -18.408 -9.133 1.00 0.00 WAT1 ATOM 5083 H2 TIP3 892 9.805 -18.177 -9.568 1.00 0.00 WAT1 ATOM 5084 OH2 TIP3 893 5.001 -28.011 -16.787 1.00 0.00 WAT1 ATOM 5085 H1 TIP3 893 5.866 -28.033 -16.313 1.00 0.00 WAT1 ATOM 5086 H2 TIP3 893 4.778 -28.963 -16.914 1.00 0.00 WAT1 ATOM 5087 OH2 TIP3 894 5.381 -31.990 -14.749 1.00 0.00 WAT1 ATOM 5088 H1 TIP3 894 5.743 -32.231 -13.868 1.00 0.00 WAT1 ATOM 5089 H2 TIP3 894 4.638 -32.626 -14.880 1.00 0.00 WAT1 ATOM 5090 OH2 TIP3 895 6.272 -32.883 -12.287 1.00 0.00 WAT1 ATOM 5091 H1 TIP3 895 6.047 -33.678 -11.735 1.00 0.00 WAT1 ATOM 5092 H2 TIP3 895 6.371 -32.173 -11.641 1.00 0.00 WAT1 ATOM 5093 OH2 TIP3 896 12.229 -19.985 -10.869 1.00 0.00 WAT1 ATOM 5094 H1 TIP3 896 11.609 -19.868 -10.125 1.00 0.00 WAT1 ATOM 5095 H2 TIP3 896 11.683 -19.817 -11.667 1.00 0.00 WAT1 ATOM 5096 OH2 TIP3 897 13.826 -19.232 -17.138 1.00 0.00 WAT1 ATOM 5097 H1 TIP3 897 14.469 -18.491 -17.217 1.00 0.00 WAT1 ATOM 5098 H2 TIP3 897 14.383 -20.003 -16.942 1.00 0.00 WAT1 ATOM 5099 OH2 TIP3 898 12.412 -21.816 -20.495 1.00 0.00 WAT1 ATOM 5100 H1 TIP3 898 13.318 -22.016 -20.240 1.00 0.00 WAT1 ATOM 5101 H2 TIP3 898 12.232 -20.943 -20.079 1.00 0.00 WAT1 ATOM 5102 OH2 TIP3 899 10.811 -25.499 -21.310 1.00 0.00 WAT1 ATOM 5103 H1 TIP3 899 11.306 -26.348 -21.204 1.00 0.00 WAT1 ATOM 5104 H2 TIP3 899 10.808 -25.111 -20.410 1.00 0.00 WAT1 ATOM 5105 OH2 TIP3 900 12.257 -21.928 -14.314 1.00 0.00 WAT1 ATOM 5106 H1 TIP3 900 11.747 -21.713 -15.117 1.00 0.00 WAT1 ATOM 5107 H2 TIP3 900 11.918 -21.313 -13.645 1.00 0.00 WAT1 ATOM 5108 OH2 TIP3 901 14.182 -23.570 -15.282 1.00 0.00 WAT1 ATOM 5109 H1 TIP3 901 13.453 -23.087 -14.830 1.00 0.00 WAT1 ATOM 5110 H2 TIP3 901 14.984 -23.086 -15.014 1.00 0.00 WAT1 ATOM 5111 OH2 TIP3 902 11.471 -30.473 -21.434 1.00 0.00 WAT1 ATOM 5112 H1 TIP3 902 10.513 -30.281 -21.568 1.00 0.00 WAT1 ATOM 5113 H2 TIP3 902 11.584 -31.362 -21.794 1.00 0.00 WAT1 ATOM 5114 OH2 TIP3 903 9.781 -21.340 -18.998 1.00 0.00 WAT1 ATOM 5115 H1 TIP3 903 10.396 -20.599 -19.190 1.00 0.00 WAT1 ATOM 5116 H2 TIP3 903 9.235 -21.413 -19.806 1.00 0.00 WAT1 ATOM 5117 OH2 TIP3 904 -1.289 -29.378 -17.423 1.00 0.00 WAT1 ATOM 5118 H1 TIP3 904 -1.261 -29.631 -18.366 1.00 0.00 WAT1 ATOM 5119 H2 TIP3 904 -0.750 -28.564 -17.381 1.00 0.00 WAT1 ATOM 5120 OH2 TIP3 905 -1.691 -30.116 -14.799 1.00 0.00 WAT1 ATOM 5121 H1 TIP3 905 -2.659 -30.043 -14.814 1.00 0.00 WAT1 ATOM 5122 H2 TIP3 905 -1.427 -29.939 -15.727 1.00 0.00 WAT1 ATOM 5123 OH2 TIP3 906 0.223 -17.860 -11.029 1.00 0.00 WAT1 ATOM 5124 H1 TIP3 906 -0.733 -18.047 -11.131 1.00 0.00 WAT1 ATOM 5125 H2 TIP3 906 0.586 -17.988 -11.931 1.00 0.00 WAT1 ATOM 5126 OH2 TIP3 907 0.704 -11.683 -15.335 1.00 0.00 WAT1 ATOM 5127 H1 TIP3 907 1.647 -11.827 -15.184 1.00 0.00 WAT1 ATOM 5128 H2 TIP3 907 0.482 -10.932 -14.767 1.00 0.00 WAT1 ATOM 5129 OH2 TIP3 908 7.775 -29.929 -19.034 1.00 0.00 WAT1 ATOM 5130 H1 TIP3 908 7.454 -29.609 -18.180 1.00 0.00 WAT1 ATOM 5131 H2 TIP3 908 8.257 -30.760 -18.809 1.00 0.00 WAT1 ATOM 5132 OH2 TIP3 909 13.005 -31.847 -19.488 1.00 0.00 WAT1 ATOM 5133 H1 TIP3 909 12.619 -31.084 -19.947 1.00 0.00 WAT1 ATOM 5134 H2 TIP3 909 12.339 -32.557 -19.609 1.00 0.00 WAT1 ATOM 5135 OH2 TIP3 910 14.731 -28.859 -20.627 1.00 0.00 WAT1 ATOM 5136 H1 TIP3 910 14.563 -29.412 -21.399 1.00 0.00 WAT1 ATOM 5137 H2 TIP3 910 15.498 -28.297 -20.895 1.00 0.00 WAT1 ATOM 5138 OH2 TIP3 911 10.895 -33.457 -20.178 1.00 0.00 WAT1 ATOM 5139 H1 TIP3 911 10.148 -33.337 -20.803 1.00 0.00 WAT1 ATOM 5140 H2 TIP3 911 11.191 -34.385 -20.334 1.00 0.00 WAT1 ATOM 5141 OH2 TIP3 912 -1.360 -30.674 -10.400 1.00 0.00 WAT1 ATOM 5142 H1 TIP3 912 -0.848 -30.342 -11.167 1.00 0.00 WAT1 ATOM 5143 H2 TIP3 912 -1.798 -31.488 -10.745 1.00 0.00 WAT1 ATOM 5144 OH2 TIP3 913 3.536 -33.886 -15.179 1.00 0.00 WAT1 ATOM 5145 H1 TIP3 913 3.787 -34.311 -16.023 1.00 0.00 WAT1 ATOM 5146 H2 TIP3 913 3.447 -34.636 -14.552 1.00 0.00 WAT1 ATOM 5147 OH2 TIP3 914 7.930 -23.831 -7.461 1.00 0.00 WAT1 ATOM 5148 H1 TIP3 914 8.670 -24.300 -7.015 1.00 0.00 WAT1 ATOM 5149 H2 TIP3 914 7.865 -22.981 -6.982 1.00 0.00 WAT1 ATOM 5150 OH2 TIP3 915 6.433 -23.886 1.555 1.00 0.00 WAT1 ATOM 5151 H1 TIP3 915 6.554 -23.907 2.520 1.00 0.00 WAT1 ATOM 5152 H2 TIP3 915 5.868 -23.100 1.399 1.00 0.00 WAT1 ATOM 5153 OH2 TIP3 916 10.719 -17.263 -2.968 1.00 0.00 WAT1 ATOM 5154 H1 TIP3 916 10.587 -16.634 -3.704 1.00 0.00 WAT1 ATOM 5155 H2 TIP3 916 11.702 -17.365 -2.916 1.00 0.00 WAT1 ATOM 5156 OH2 TIP3 917 10.165 -15.543 -5.083 1.00 0.00 WAT1 ATOM 5157 H1 TIP3 917 9.876 -16.390 -5.496 1.00 0.00 WAT1 ATOM 5158 H2 TIP3 917 10.447 -15.001 -5.828 1.00 0.00 WAT1 ATOM 5159 OH2 TIP3 918 -6.393 -26.301 -2.160 1.00 0.00 WAT1 ATOM 5160 H1 TIP3 918 -6.784 -27.174 -1.911 1.00 0.00 WAT1 ATOM 5161 H2 TIP3 918 -6.913 -25.659 -1.663 1.00 0.00 WAT1 ATOM 5162 OH2 TIP3 919 -1.144 -29.830 -0.819 1.00 0.00 WAT1 ATOM 5163 H1 TIP3 919 -1.906 -29.537 -0.283 1.00 0.00 WAT1 ATOM 5164 H2 TIP3 919 -0.373 -29.675 -0.237 1.00 0.00 WAT1 ATOM 5165 OH2 TIP3 920 5.714 -19.894 -5.366 1.00 0.00 WAT1 ATOM 5166 H1 TIP3 920 5.928 -18.937 -5.328 1.00 0.00 WAT1 ATOM 5167 H2 TIP3 920 4.736 -19.920 -5.366 1.00 0.00 WAT1 ATOM 5168 OH2 TIP3 921 0.495 -25.762 -2.637 1.00 0.00 WAT1 ATOM 5169 H1 TIP3 921 -0.235 -26.412 -2.550 1.00 0.00 WAT1 ATOM 5170 H2 TIP3 921 0.785 -25.609 -1.719 1.00 0.00 WAT1 ATOM 5171 OH2 TIP3 922 14.609 -14.643 -0.615 1.00 0.00 WAT1 ATOM 5172 H1 TIP3 922 14.690 -13.793 -1.054 1.00 0.00 WAT1 ATOM 5173 H2 TIP3 922 15.015 -15.278 -1.244 1.00 0.00 WAT1 ATOM 5174 OH2 TIP3 923 9.353 -17.955 -5.942 1.00 0.00 WAT1 ATOM 5175 H1 TIP3 923 9.713 -18.719 -5.436 1.00 0.00 WAT1 ATOM 5176 H2 TIP3 923 9.213 -18.308 -6.836 1.00 0.00 WAT1 ATOM 5177 OH2 TIP3 924 10.140 -20.334 -4.795 1.00 0.00 WAT1 ATOM 5178 H1 TIP3 924 10.804 -20.705 -5.423 1.00 0.00 WAT1 ATOM 5179 H2 TIP3 924 10.526 -20.493 -3.923 1.00 0.00 WAT1 ATOM 5180 OH2 TIP3 925 10.140 -24.962 -6.350 1.00 0.00 WAT1 ATOM 5181 H1 TIP3 925 10.946 -24.583 -6.763 1.00 0.00 WAT1 ATOM 5182 H2 TIP3 925 10.391 -25.083 -5.409 1.00 0.00 WAT1 ATOM 5183 OH2 TIP3 926 9.505 -19.109 0.930 1.00 0.00 WAT1 ATOM 5184 H1 TIP3 926 10.113 -19.361 0.199 1.00 0.00 WAT1 ATOM 5185 H2 TIP3 926 9.186 -18.224 0.680 1.00 0.00 WAT1 ATOM 5186 OH2 TIP3 927 3.404 -19.530 9.915 1.00 0.00 WAT1 ATOM 5187 H1 TIP3 927 3.459 -19.593 10.877 1.00 0.00 WAT1 ATOM 5188 H2 TIP3 927 3.296 -20.470 9.618 1.00 0.00 WAT1 ATOM 5189 OH2 TIP3 928 2.399 -20.190 0.923 1.00 0.00 WAT1 ATOM 5190 H1 TIP3 928 1.782 -20.112 0.172 1.00 0.00 WAT1 ATOM 5191 H2 TIP3 928 1.830 -20.462 1.670 1.00 0.00 WAT1 ATOM 5192 OH2 TIP3 929 6.776 -17.390 -5.226 1.00 0.00 WAT1 ATOM 5193 H1 TIP3 929 7.745 -17.478 -5.349 1.00 0.00 WAT1 ATOM 5194 H2 TIP3 929 6.659 -16.474 -4.897 1.00 0.00 WAT1 ATOM 5195 OH2 TIP3 930 4.370 -12.891 3.524 1.00 0.00 WAT1 ATOM 5196 H1 TIP3 930 3.879 -13.097 4.346 1.00 0.00 WAT1 ATOM 5197 H2 TIP3 930 3.693 -12.888 2.841 1.00 0.00 WAT1 ATOM 5198 OH2 TIP3 931 -0.715 -17.714 2.848 1.00 0.00 WAT1 ATOM 5199 H1 TIP3 931 -1.272 -17.178 3.453 1.00 0.00 WAT1 ATOM 5200 H2 TIP3 931 -0.088 -18.151 3.432 1.00 0.00 WAT1 ATOM 5201 OH2 TIP3 932 14.482 -16.966 4.137 1.00 0.00 WAT1 ATOM 5202 H1 TIP3 932 13.626 -16.780 4.583 1.00 0.00 WAT1 ATOM 5203 H2 TIP3 932 14.424 -16.449 3.295 1.00 0.00 WAT1 ATOM 5204 OH2 TIP3 933 5.333 -17.636 6.525 1.00 0.00 WAT1 ATOM 5205 H1 TIP3 933 6.069 -17.636 5.901 1.00 0.00 WAT1 ATOM 5206 H2 TIP3 933 5.704 -18.052 7.335 1.00 0.00 WAT1 ATOM 5207 OH2 TIP3 934 3.841 -14.035 -8.938 1.00 0.00 WAT1 ATOM 5208 H1 TIP3 934 4.451 -14.680 -9.350 1.00 0.00 WAT1 ATOM 5209 H2 TIP3 934 4.150 -13.969 -8.018 1.00 0.00 WAT1 ATOM 5210 OH2 TIP3 935 8.763 -10.751 -4.382 1.00 0.00 WAT1 ATOM 5211 H1 TIP3 935 9.413 -10.043 -4.430 1.00 0.00 WAT1 ATOM 5212 H2 TIP3 935 8.461 -10.860 -5.288 1.00 0.00 WAT1 ATOM 5213 OH2 TIP3 936 2.851 -23.379 -0.744 1.00 0.00 WAT1 ATOM 5214 H1 TIP3 936 2.683 -24.305 -0.502 1.00 0.00 WAT1 ATOM 5215 H2 TIP3 936 2.025 -22.919 -0.502 1.00 0.00 WAT1 ATOM 5216 OH2 TIP3 937 0.799 -19.891 -1.268 1.00 0.00 WAT1 ATOM 5217 H1 TIP3 937 0.000 -20.211 -0.797 1.00 0.00 WAT1 ATOM 5218 H2 TIP3 937 0.439 -19.421 -2.053 1.00 0.00 WAT1 ATOM 5219 OH2 TIP3 938 2.439 -27.822 -0.737 1.00 0.00 WAT1 ATOM 5220 H1 TIP3 938 1.983 -28.422 -0.126 1.00 0.00 WAT1 ATOM 5221 H2 TIP3 938 2.113 -26.944 -0.494 1.00 0.00 WAT1 ATOM 5222 OH2 TIP3 939 -4.006 -27.612 -1.730 1.00 0.00 WAT1 ATOM 5223 H1 TIP3 939 -4.666 -26.919 -1.933 1.00 0.00 WAT1 ATOM 5224 H2 TIP3 939 -3.175 -27.285 -2.133 1.00 0.00 WAT1 ATOM 5225 OH2 TIP3 940 2.883 -18.742 7.158 1.00 0.00 WAT1 ATOM 5226 H1 TIP3 940 3.689 -18.344 6.770 1.00 0.00 WAT1 ATOM 5227 H2 TIP3 940 3.168 -19.051 8.032 1.00 0.00 WAT1 ATOM 5228 OH2 TIP3 941 0.953 -26.787 -5.117 1.00 0.00 WAT1 ATOM 5229 H1 TIP3 941 0.737 -26.377 -4.248 1.00 0.00 WAT1 ATOM 5230 H2 TIP3 941 0.193 -27.352 -5.307 1.00 0.00 WAT1 ATOM 5231 OH2 TIP3 942 7.541 -19.277 -7.807 1.00 0.00 WAT1 ATOM 5232 H1 TIP3 942 7.612 -20.155 -7.376 1.00 0.00 WAT1 ATOM 5233 H2 TIP3 942 7.048 -18.738 -7.166 1.00 0.00 WAT1 ATOM 5234 OH2 TIP3 943 0.366 -22.769 0.450 1.00 0.00 WAT1 ATOM 5235 H1 TIP3 943 0.579 -22.438 1.345 1.00 0.00 WAT1 ATOM 5236 H2 TIP3 943 -0.356 -22.186 0.152 1.00 0.00 WAT1 ATOM 5237 OH2 TIP3 944 11.288 -19.384 -1.134 1.00 0.00 WAT1 ATOM 5238 H1 TIP3 944 11.076 -18.646 -1.734 1.00 0.00 WAT1 ATOM 5239 H2 TIP3 944 12.232 -19.554 -1.292 1.00 0.00 WAT1 ATOM 5240 OH2 TIP3 945 8.007 -17.553 -2.165 1.00 0.00 WAT1 ATOM 5241 H1 TIP3 945 8.135 -17.142 -1.289 1.00 0.00 WAT1 ATOM 5242 H2 TIP3 945 8.913 -17.631 -2.523 1.00 0.00 WAT1 ATOM 5243 OH2 TIP3 946 10.657 -19.792 -8.525 1.00 0.00 WAT1 ATOM 5244 H1 TIP3 946 11.305 -20.164 -7.888 1.00 0.00 WAT1 ATOM 5245 H2 TIP3 946 9.855 -20.305 -8.369 1.00 0.00 WAT1 ATOM 5246 OH2 TIP3 947 11.874 -16.719 4.880 1.00 0.00 WAT1 ATOM 5247 H1 TIP3 947 11.717 -16.298 5.752 1.00 0.00 WAT1 ATOM 5248 H2 TIP3 947 11.307 -17.515 4.897 1.00 0.00 WAT1 ATOM 5249 OH2 TIP3 948 0.605 -28.954 1.242 1.00 0.00 WAT1 ATOM 5250 H1 TIP3 948 0.205 -28.101 1.510 1.00 0.00 WAT1 ATOM 5251 H2 TIP3 948 0.689 -29.446 2.075 1.00 0.00 WAT1 ATOM 5252 OH2 TIP3 949 11.941 -21.346 -6.583 1.00 0.00 WAT1 ATOM 5253 H1 TIP3 949 11.928 -22.229 -7.001 1.00 0.00 WAT1 ATOM 5254 H2 TIP3 949 12.706 -21.391 -5.961 1.00 0.00 WAT1 ATOM 5255 OH2 TIP3 950 4.864 -18.588 -8.322 1.00 0.00 WAT1 ATOM 5256 H1 TIP3 950 5.672 -19.101 -8.506 1.00 0.00 WAT1 ATOM 5257 H2 TIP3 950 4.169 -19.038 -8.842 1.00 0.00 WAT1 ATOM 5258 OH2 TIP3 951 3.573 -16.874 -6.554 1.00 0.00 WAT1 ATOM 5259 H1 TIP3 951 4.106 -17.475 -7.119 1.00 0.00 WAT1 ATOM 5260 H2 TIP3 951 2.886 -16.520 -7.163 1.00 0.00 WAT1 ATOM 5261 OH2 TIP3 952 1.489 -15.967 -8.014 1.00 0.00 WAT1 ATOM 5262 H1 TIP3 952 1.552 -15.450 -8.844 1.00 0.00 WAT1 ATOM 5263 H2 TIP3 952 1.350 -15.279 -7.315 1.00 0.00 WAT1 ATOM 5264 OH2 TIP3 953 4.509 -26.191 -12.301 1.00 0.00 WAT1 ATOM 5265 H1 TIP3 953 4.023 -26.461 -13.103 1.00 0.00 WAT1 ATOM 5266 H2 TIP3 953 5.442 -26.216 -12.570 1.00 0.00 WAT1 ATOM 5267 OH2 TIP3 954 7.894 -21.406 -6.065 1.00 0.00 WAT1 ATOM 5268 H1 TIP3 954 8.638 -21.123 -5.492 1.00 0.00 WAT1 ATOM 5269 H2 TIP3 954 7.102 -20.994 -5.652 1.00 0.00 WAT1 ATOM 5270 OH2 TIP3 955 13.372 -17.738 -2.850 1.00 0.00 WAT1 ATOM 5271 H1 TIP3 955 13.732 -18.591 -2.544 1.00 0.00 WAT1 ATOM 5272 H2 TIP3 955 14.127 -17.119 -2.774 1.00 0.00 WAT1 ATOM 5273 OH2 TIP3 956 -0.519 -31.227 -4.773 1.00 0.00 WAT1 ATOM 5274 H1 TIP3 956 -0.715 -31.752 -5.580 1.00 0.00 WAT1 ATOM 5275 H2 TIP3 956 0.439 -31.287 -4.677 1.00 0.00 WAT1 ATOM 5276 OH2 TIP3 957 -1.164 -14.141 3.370 1.00 0.00 WAT1 ATOM 5277 H1 TIP3 957 -0.307 -14.013 3.782 1.00 0.00 WAT1 ATOM 5278 H2 TIP3 957 -1.552 -14.902 3.852 1.00 0.00 WAT1 ATOM 5279 OH2 TIP3 958 2.807 -13.694 5.773 1.00 0.00 WAT1 ATOM 5280 H1 TIP3 958 2.053 -14.293 5.868 1.00 0.00 WAT1 ATOM 5281 H2 TIP3 958 3.519 -14.118 6.306 1.00 0.00 WAT1 ATOM 5282 OH2 TIP3 959 5.188 -16.269 -9.894 1.00 0.00 WAT1 ATOM 5283 H1 TIP3 959 5.295 -16.951 -9.209 1.00 0.00 WAT1 ATOM 5284 H2 TIP3 959 4.365 -16.531 -10.363 1.00 0.00 WAT1 ATOM 5285 OH2 TIP3 960 0.218 -18.275 6.918 1.00 0.00 WAT1 ATOM 5286 H1 TIP3 960 1.175 -18.517 6.918 1.00 0.00 WAT1 ATOM 5287 H2 TIP3 960 0.222 -17.294 6.897 1.00 0.00 WAT1 ATOM 5288 OH2 TIP3 961 -0.553 -20.790 7.869 1.00 0.00 WAT1 ATOM 5289 H1 TIP3 961 -0.195 -19.946 7.528 1.00 0.00 WAT1 ATOM 5290 H2 TIP3 961 -0.663 -20.633 8.824 1.00 0.00 WAT1 ATOM 5291 OH2 TIP3 962 4.606 -21.882 0.797 1.00 0.00 WAT1 ATOM 5292 H1 TIP3 962 4.110 -22.495 0.218 1.00 0.00 WAT1 ATOM 5293 H2 TIP3 962 3.977 -21.151 0.961 1.00 0.00 WAT1 ATOM 5294 OH2 TIP3 963 14.638 -21.180 -10.909 1.00 0.00 WAT1 ATOM 5295 H1 TIP3 963 15.221 -20.481 -10.602 1.00 0.00 WAT1 ATOM 5296 H2 TIP3 963 13.751 -20.746 -10.963 1.00 0.00 WAT1 ATOM 5297 OH2 TIP3 964 6.550 -25.724 -0.481 1.00 0.00 WAT1 ATOM 5298 H1 TIP3 964 6.514 -24.978 0.163 1.00 0.00 WAT1 ATOM 5299 H2 TIP3 964 6.764 -26.490 0.062 1.00 0.00 WAT1 ATOM 5300 OH2 TIP3 965 2.844 -17.101 -10.985 1.00 0.00 WAT1 ATOM 5301 H1 TIP3 965 2.725 -16.371 -11.630 1.00 0.00 WAT1 ATOM 5302 H2 TIP3 965 1.929 -17.336 -10.725 1.00 0.00 WAT1 ATOM 5303 OH2 TIP3 966 15.775 -16.457 -2.290 1.00 0.00 WAT1 ATOM 5304 H1 TIP3 966 15.837 -17.100 -1.549 1.00 0.00 WAT1 ATOM 5305 H2 TIP3 966 16.623 -16.569 -2.772 1.00 0.00 WAT1 ATOM 5306 OH2 TIP3 967 13.991 -15.797 1.801 1.00 0.00 WAT1 ATOM 5307 H1 TIP3 967 14.257 -15.342 0.971 1.00 0.00 WAT1 ATOM 5308 H2 TIP3 967 13.018 -15.866 1.732 1.00 0.00 WAT1 ATOM 5309 OH2 TIP3 968 12.228 -17.730 9.110 1.00 0.00 WAT1 ATOM 5310 H1 TIP3 968 12.976 -18.323 8.910 1.00 0.00 WAT1 ATOM 5311 H2 TIP3 968 11.833 -18.113 9.906 1.00 0.00 WAT1 ATOM 5312 OH2 TIP3 969 13.792 -21.948 -4.692 1.00 0.00 WAT1 ATOM 5313 H1 TIP3 969 14.626 -21.610 -4.312 1.00 0.00 WAT1 ATOM 5314 H2 TIP3 969 13.546 -22.688 -4.104 1.00 0.00 WAT1 ATOM 5315 OH2 TIP3 970 14.088 -20.156 -1.661 1.00 0.00 WAT1 ATOM 5316 H1 TIP3 970 14.798 -20.474 -2.260 1.00 0.00 WAT1 ATOM 5317 H2 TIP3 970 13.796 -20.968 -1.192 1.00 0.00 WAT1 ATOM 5318 OH2 TIP3 971 11.458 -19.285 3.366 1.00 0.00 WAT1 ATOM 5319 H1 TIP3 971 11.301 -18.866 2.506 1.00 0.00 WAT1 ATOM 5320 H2 TIP3 971 10.606 -19.703 3.584 1.00 0.00 WAT1 ATOM 5321 OH2 TIP3 972 13.698 -23.534 -9.865 1.00 0.00 WAT1 ATOM 5322 H1 TIP3 972 13.158 -23.864 -10.610 1.00 0.00 WAT1 ATOM 5323 H2 TIP3 972 14.078 -22.688 -10.202 1.00 0.00 WAT1 ATOM 5324 OH2 TIP3 973 10.983 -24.898 -3.754 1.00 0.00 WAT1 ATOM 5325 H1 TIP3 973 11.873 -24.580 -3.484 1.00 0.00 WAT1 ATOM 5326 H2 TIP3 973 10.387 -24.483 -3.127 1.00 0.00 WAT1 ATOM 5327 OH2 TIP3 974 1.049 -25.445 0.087 1.00 0.00 WAT1 ATOM 5328 H1 TIP3 974 0.734 -24.524 0.221 1.00 0.00 WAT1 ATOM 5329 H2 TIP3 974 0.642 -25.944 0.829 1.00 0.00 WAT1 ATOM 5330 OH2 TIP3 975 0.452 -29.674 4.218 1.00 0.00 WAT1 ATOM 5331 H1 TIP3 975 1.005 -28.974 4.582 1.00 0.00 WAT1 ATOM 5332 H2 TIP3 975 -0.445 -29.462 4.541 1.00 0.00 WAT1 ATOM 5333 OH2 TIP3 976 -1.377 -27.738 -2.617 1.00 0.00 WAT1 ATOM 5334 H1 TIP3 976 -1.416 -28.121 -3.517 1.00 0.00 WAT1 ATOM 5335 H2 TIP3 976 -1.179 -28.507 -2.037 1.00 0.00 WAT1 ATOM 5336 OH2 TIP3 977 -0.378 -26.520 2.184 1.00 0.00 WAT1 ATOM 5337 H1 TIP3 977 -0.162 -26.162 3.057 1.00 0.00 WAT1 ATOM 5338 H2 TIP3 977 -1.348 -26.402 2.113 1.00 0.00 WAT1 ATOM 5339 OH2 TIP3 978 -1.730 -28.745 -5.125 1.00 0.00 WAT1 ATOM 5340 H1 TIP3 978 -2.660 -28.939 -4.863 1.00 0.00 WAT1 ATOM 5341 H2 TIP3 978 -1.292 -29.625 -5.119 1.00 0.00 WAT1 ATOM 5342 OH2 TIP3 979 0.310 -15.472 7.166 1.00 0.00 WAT1 ATOM 5343 H1 TIP3 979 -0.323 -14.863 7.580 1.00 0.00 WAT1 ATOM 5344 H2 TIP3 979 1.069 -15.490 7.791 1.00 0.00 WAT1 ATOM 5345 OH2 TIP3 980 5.878 -11.842 -0.496 1.00 0.00 WAT1 ATOM 5346 H1 TIP3 980 6.267 -11.909 0.383 1.00 0.00 WAT1 ATOM 5347 H2 TIP3 980 6.658 -11.892 -1.108 1.00 0.00 WAT1 ATOM 5348 OH2 TIP3 981 8.789 -15.028 2.926 1.00 0.00 WAT1 ATOM 5349 H1 TIP3 981 8.928 -15.302 3.856 1.00 0.00 WAT1 ATOM 5350 H2 TIP3 981 8.215 -14.237 2.995 1.00 0.00 WAT1 ATOM 5351 OH2 TIP3 982 -2.655 -13.805 1.105 1.00 0.00 WAT1 ATOM 5352 H1 TIP3 982 -2.158 -13.908 1.949 1.00 0.00 WAT1 ATOM 5353 H2 TIP3 982 -3.030 -12.895 1.161 1.00 0.00 WAT1 ATOM 5354 OH2 TIP3 983 -0.992 -15.212 -0.446 1.00 0.00 WAT1 ATOM 5355 H1 TIP3 983 -1.618 -14.783 0.181 1.00 0.00 WAT1 ATOM 5356 H2 TIP3 983 -0.375 -14.487 -0.694 1.00 0.00 WAT1 ATOM 5357 OH2 TIP3 984 7.929 -12.104 -2.153 1.00 0.00 WAT1 ATOM 5358 H1 TIP3 984 8.207 -11.536 -2.903 1.00 0.00 WAT1 ATOM 5359 H2 TIP3 984 8.342 -12.970 -2.346 1.00 0.00 WAT1 ATOM 5360 OH2 TIP3 985 8.963 -16.432 0.329 1.00 0.00 WAT1 ATOM 5361 H1 TIP3 985 8.528 -15.939 1.048 1.00 0.00 WAT1 ATOM 5362 H2 TIP3 985 9.912 -16.379 0.550 1.00 0.00 WAT1 ATOM 5363 OH2 TIP3 986 -2.504 -26.835 -7.031 1.00 0.00 WAT1 ATOM 5364 H1 TIP3 986 -2.213 -27.480 -6.356 1.00 0.00 WAT1 ATOM 5365 H2 TIP3 986 -2.652 -27.381 -7.833 1.00 0.00 WAT1 ATOM 5366 OH2 TIP3 987 -1.161 -32.437 -7.207 1.00 0.00 WAT1 ATOM 5367 H1 TIP3 987 -1.473 -31.910 -7.957 1.00 0.00 WAT1 ATOM 5368 H2 TIP3 987 -0.387 -32.933 -7.570 1.00 0.00 WAT1 ATOM 5369 OH2 TIP3 988 -1.397 -13.442 -9.647 1.00 0.00 WAT1 ATOM 5370 H1 TIP3 988 -1.900 -13.466 -10.481 1.00 0.00 WAT1 ATOM 5371 H2 TIP3 988 -0.532 -13.839 -9.877 1.00 0.00 WAT1 ATOM 5372 OH2 TIP3 989 11.231 -16.148 2.239 1.00 0.00 WAT1 ATOM 5373 H1 TIP3 989 11.565 -16.362 3.135 1.00 0.00 WAT1 ATOM 5374 H2 TIP3 989 10.428 -15.617 2.407 1.00 0.00 WAT1 ATOM 5375 OH2 TIP3 990 7.237 -21.133 8.236 1.00 0.00 WAT1 ATOM 5376 H1 TIP3 990 8.095 -20.869 8.630 1.00 0.00 WAT1 ATOM 5377 H2 TIP3 990 6.662 -20.356 8.388 1.00 0.00 WAT1 ATOM 5378 OH2 TIP3 991 12.244 -19.007 17.964 1.00 0.00 WAT1 ATOM 5379 H1 TIP3 991 12.094 -18.072 17.809 1.00 0.00 WAT1 ATOM 5380 H2 TIP3 991 11.373 -19.344 18.270 1.00 0.00 WAT1 ATOM 5381 OH2 TIP3 992 6.299 -18.428 16.974 1.00 0.00 WAT1 ATOM 5382 H1 TIP3 992 6.873 -17.868 17.512 1.00 0.00 WAT1 ATOM 5383 H2 TIP3 992 5.449 -18.405 17.437 1.00 0.00 WAT1 ATOM 5384 OH2 TIP3 993 13.358 -26.174 22.227 1.00 0.00 WAT1 ATOM 5385 H1 TIP3 993 13.688 -25.323 22.605 1.00 0.00 WAT1 ATOM 5386 H2 TIP3 993 14.181 -26.711 22.094 1.00 0.00 WAT1 ATOM 5387 OH2 TIP3 994 7.476 -18.196 11.044 1.00 0.00 WAT1 ATOM 5388 H1 TIP3 994 6.966 -17.550 11.545 1.00 0.00 WAT1 ATOM 5389 H2 TIP3 994 8.276 -18.350 11.600 1.00 0.00 WAT1 ATOM 5390 OH2 TIP3 995 -1.279 -17.139 14.043 1.00 0.00 WAT1 ATOM 5391 H1 TIP3 995 -0.761 -16.433 13.582 1.00 0.00 WAT1 ATOM 5392 H2 TIP3 995 -0.896 -17.169 14.937 1.00 0.00 WAT1 ATOM 5393 OH2 TIP3 996 11.900 -15.082 21.041 1.00 0.00 WAT1 ATOM 5394 H1 TIP3 996 12.169 -14.158 21.040 1.00 0.00 WAT1 ATOM 5395 H2 TIP3 996 12.631 -15.544 20.619 1.00 0.00 WAT1 ATOM 5396 OH2 TIP3 997 11.881 -20.950 20.647 1.00 0.00 WAT1 ATOM 5397 H1 TIP3 997 11.121 -20.684 20.084 1.00 0.00 WAT1 ATOM 5398 H2 TIP3 997 12.596 -21.131 20.008 1.00 0.00 WAT1 ATOM 5399 OH2 TIP3 998 14.764 -22.929 20.254 1.00 0.00 WAT1 ATOM 5400 H1 TIP3 998 14.442 -22.269 19.597 1.00 0.00 WAT1 ATOM 5401 H2 TIP3 998 15.747 -22.899 20.161 1.00 0.00 WAT1 ATOM 5402 OH2 TIP3 999 10.849 -21.563 13.021 1.00 0.00 WAT1 ATOM 5403 H1 TIP3 999 10.749 -22.068 13.860 1.00 0.00 WAT1 ATOM 5404 H2 TIP3 999 10.134 -21.887 12.468 1.00 0.00 WAT1 ATOM 5405 OH2 TIP3 1000 9.313 -23.893 18.873 1.00 0.00 WAT1 ATOM 5406 H1 TIP3 1000 8.910 -23.808 17.984 1.00 0.00 WAT1 ATOM 5407 H2 TIP3 1000 8.754 -23.316 19.441 1.00 0.00 WAT1 ATOM 5408 OH2 TIP3 1001 9.896 -19.904 19.033 1.00 0.00 WAT1 ATOM 5409 H1 TIP3 1001 9.118 -20.405 18.758 1.00 0.00 WAT1 ATOM 5410 H2 TIP3 1001 9.521 -19.091 19.458 1.00 0.00 WAT1 ATOM 5411 OH2 TIP3 1002 9.693 -18.689 12.496 1.00 0.00 WAT1 ATOM 5412 H1 TIP3 1002 10.513 -18.987 12.051 1.00 0.00 WAT1 ATOM 5413 H2 TIP3 1002 9.811 -18.965 13.412 1.00 0.00 WAT1 ATOM 5414 OH2 TIP3 1003 -0.905 -19.706 10.545 1.00 0.00 WAT1 ATOM 5415 H1 TIP3 1003 -0.260 -18.982 10.419 1.00 0.00 WAT1 ATOM 5416 H2 TIP3 1003 -0.936 -19.834 11.513 1.00 0.00 WAT1 ATOM 5417 OH2 TIP3 1004 13.699 -19.443 4.898 1.00 0.00 WAT1 ATOM 5418 H1 TIP3 1004 12.833 -19.457 4.426 1.00 0.00 WAT1 ATOM 5419 H2 TIP3 1004 14.082 -18.571 4.660 1.00 0.00 WAT1 ATOM 5420 OH2 TIP3 1005 6.249 -19.009 21.729 1.00 0.00 WAT1 ATOM 5421 H1 TIP3 1005 5.661 -19.392 22.418 1.00 0.00 WAT1 ATOM 5422 H2 TIP3 1005 5.703 -18.987 20.935 1.00 0.00 WAT1 ATOM 5423 OH2 TIP3 1006 9.150 -15.734 5.653 1.00 0.00 WAT1 ATOM 5424 H1 TIP3 1006 9.192 -16.718 5.633 1.00 0.00 WAT1 ATOM 5425 H2 TIP3 1006 9.856 -15.483 6.283 1.00 0.00 WAT1 ATOM 5426 OH2 TIP3 1007 10.737 -25.571 23.103 1.00 0.00 WAT1 ATOM 5427 H1 TIP3 1007 10.168 -25.001 22.553 1.00 0.00 WAT1 ATOM 5428 H2 TIP3 1007 11.571 -25.641 22.598 1.00 0.00 WAT1 ATOM 5429 OH2 TIP3 1008 13.623 -21.266 18.399 1.00 0.00 WAT1 ATOM 5430 H1 TIP3 1008 13.247 -20.373 18.209 1.00 0.00 WAT1 ATOM 5431 H2 TIP3 1008 13.578 -21.729 17.539 1.00 0.00 WAT1 ATOM 5432 OH2 TIP3 1009 8.866 -17.665 20.133 1.00 0.00 WAT1 ATOM 5433 H1 TIP3 1009 9.059 -17.170 20.948 1.00 0.00 WAT1 ATOM 5434 H2 TIP3 1009 7.991 -17.323 19.846 1.00 0.00 WAT1 ATOM 5435 OH2 TIP3 1010 7.717 -23.431 16.673 1.00 0.00 WAT1 ATOM 5436 H1 TIP3 1010 7.059 -23.594 17.397 1.00 0.00 WAT1 ATOM 5437 H2 TIP3 1010 7.240 -22.879 16.045 1.00 0.00 WAT1 ATOM 5438 OH2 TIP3 1011 5.734 -26.311 14.613 1.00 0.00 WAT1 ATOM 5439 H1 TIP3 1011 5.779 -25.355 14.627 1.00 0.00 WAT1 ATOM 5440 H2 TIP3 1011 5.716 -26.563 15.554 1.00 0.00 WAT1 ATOM 5441 OH2 TIP3 1012 3.172 -22.050 9.068 1.00 0.00 WAT1 ATOM 5442 H1 TIP3 1012 3.695 -22.233 8.250 1.00 0.00 WAT1 ATOM 5443 H2 TIP3 1012 2.373 -22.575 8.959 1.00 0.00 WAT1 ATOM 5444 OH2 TIP3 1013 5.904 -18.859 8.885 1.00 0.00 WAT1 ATOM 5445 H1 TIP3 1013 6.505 -18.559 9.604 1.00 0.00 WAT1 ATOM 5446 H2 TIP3 1013 5.042 -18.988 9.332 1.00 0.00 WAT1 ATOM 5447 OH2 TIP3 1014 6.497 -16.643 19.295 1.00 0.00 WAT1 ATOM 5448 H1 TIP3 1014 6.446 -15.749 19.685 1.00 0.00 WAT1 ATOM 5449 H2 TIP3 1014 5.569 -16.877 19.109 1.00 0.00 WAT1 ATOM 5450 OH2 TIP3 1015 3.483 -13.731 13.278 1.00 0.00 WAT1 ATOM 5451 H1 TIP3 1015 3.675 -14.156 14.120 1.00 0.00 WAT1 ATOM 5452 H2 TIP3 1015 3.804 -12.815 13.393 1.00 0.00 WAT1 ATOM 5453 OH2 TIP3 1016 9.341 -20.007 9.600 1.00 0.00 WAT1 ATOM 5454 H1 TIP3 1016 8.761 -19.346 10.018 1.00 0.00 WAT1 ATOM 5455 H2 TIP3 1016 10.177 -19.948 10.109 1.00 0.00 WAT1 ATOM 5456 OH2 TIP3 1017 11.728 -19.828 11.030 1.00 0.00 WAT1 ATOM 5457 H1 TIP3 1017 11.773 -20.519 11.728 1.00 0.00 WAT1 ATOM 5458 H2 TIP3 1017 12.572 -19.939 10.526 1.00 0.00 WAT1 ATOM 5459 OH2 TIP3 1018 4.637 -15.080 7.241 1.00 0.00 WAT1 ATOM 5460 H1 TIP3 1018 4.761 -16.027 7.014 1.00 0.00 WAT1 ATOM 5461 H2 TIP3 1018 5.470 -14.651 6.927 1.00 0.00 WAT1 ATOM 5462 OH2 TIP3 1019 2.400 -15.548 8.912 1.00 0.00 WAT1 ATOM 5463 H1 TIP3 1019 3.259 -15.320 8.493 1.00 0.00 WAT1 ATOM 5464 H2 TIP3 1019 2.327 -14.922 9.672 1.00 0.00 WAT1 ATOM 5465 OH2 TIP3 1020 -1.037 -19.867 13.464 1.00 0.00 WAT1 ATOM 5466 H1 TIP3 1020 -1.395 -18.956 13.547 1.00 0.00 WAT1 ATOM 5467 H2 TIP3 1020 -0.234 -19.851 13.997 1.00 0.00 WAT1 ATOM 5468 OH2 TIP3 1021 11.335 -15.770 7.415 1.00 0.00 WAT1 ATOM 5469 H1 TIP3 1021 11.582 -15.023 7.970 1.00 0.00 WAT1 ATOM 5470 H2 TIP3 1021 11.589 -16.560 7.952 1.00 0.00 WAT1 ATOM 5471 OH2 TIP3 1022 1.921 -13.933 11.067 1.00 0.00 WAT1 ATOM 5472 H1 TIP3 1022 1.537 -13.037 10.993 1.00 0.00 WAT1 ATOM 5473 H2 TIP3 1022 2.535 -13.870 11.838 1.00 0.00 WAT1 ATOM 5474 OH2 TIP3 1023 13.515 -25.301 19.617 1.00 0.00 WAT1 ATOM 5475 H1 TIP3 1023 13.400 -25.782 20.461 1.00 0.00 WAT1 ATOM 5476 H2 TIP3 1023 14.007 -24.488 19.871 1.00 0.00 WAT1 ATOM 5477 OH2 TIP3 1024 1.113 -17.774 9.932 1.00 0.00 WAT1 ATOM 5478 H1 TIP3 1024 1.818 -18.441 9.843 1.00 0.00 WAT1 ATOM 5479 H2 TIP3 1024 1.516 -16.955 9.566 1.00 0.00 WAT1 ATOM 5480 OH2 TIP3 1025 0.223 -12.828 25.168 1.00 0.00 WAT1 ATOM 5481 H1 TIP3 1025 0.294 -12.493 24.249 1.00 0.00 WAT1 ATOM 5482 H2 TIP3 1025 1.055 -12.535 25.596 1.00 0.00 WAT1 ATOM 5483 OH2 TIP3 1026 9.628 -18.397 5.556 1.00 0.00 WAT1 ATOM 5484 H1 TIP3 1026 9.984 -19.085 6.164 1.00 0.00 WAT1 ATOM 5485 H2 TIP3 1026 9.242 -18.912 4.815 1.00 0.00 WAT1 ATOM 5486 OH2 TIP3 1027 9.954 -16.430 22.421 1.00 0.00 WAT1 ATOM 5487 H1 TIP3 1027 10.620 -15.898 21.928 1.00 0.00 WAT1 ATOM 5488 H2 TIP3 1027 10.338 -17.338 22.437 1.00 0.00 WAT1 ATOM 5489 OH2 TIP3 1028 10.573 -20.489 7.051 1.00 0.00 WAT1 ATOM 5490 H1 TIP3 1028 10.303 -20.377 7.980 1.00 0.00 WAT1 ATOM 5491 H2 TIP3 1028 11.478 -20.858 7.105 1.00 0.00 WAT1 ATOM 5492 OH2 TIP3 1029 8.483 -20.564 21.799 1.00 0.00 WAT1 ATOM 5493 H1 TIP3 1029 7.758 -19.898 21.794 1.00 0.00 WAT1 ATOM 5494 H2 TIP3 1029 8.167 -21.262 21.183 1.00 0.00 WAT1 ATOM 5495 OH2 TIP3 1030 10.725 -19.044 22.328 1.00 0.00 WAT1 ATOM 5496 H1 TIP3 1030 11.360 -19.521 21.759 1.00 0.00 WAT1 ATOM 5497 H2 TIP3 1030 9.872 -19.509 22.170 1.00 0.00 WAT1 ATOM 5498 OH2 TIP3 1031 8.161 -22.039 24.094 1.00 0.00 WAT1 ATOM 5499 H1 TIP3 1031 8.370 -21.404 23.375 1.00 0.00 WAT1 ATOM 5500 H2 TIP3 1031 9.033 -22.326 24.423 1.00 0.00 WAT1 ATOM 5501 OH2 TIP3 1032 10.461 -23.459 24.964 1.00 0.00 WAT1 ATOM 5502 H1 TIP3 1032 11.062 -22.931 24.389 1.00 0.00 WAT1 ATOM 5503 H2 TIP3 1032 10.542 -24.367 24.619 1.00 0.00 WAT1 ATOM 5504 OH2 TIP3 1033 11.938 -22.164 23.122 1.00 0.00 WAT1 ATOM 5505 H1 TIP3 1033 11.857 -21.745 22.234 1.00 0.00 WAT1 ATOM 5506 H2 TIP3 1033 12.728 -22.740 23.042 1.00 0.00 WAT1 ATOM 5507 OH2 TIP3 1034 8.359 -24.153 22.244 1.00 0.00 WAT1 ATOM 5508 H1 TIP3 1034 8.091 -23.449 21.603 1.00 0.00 WAT1 ATOM 5509 H2 TIP3 1034 8.172 -23.756 23.119 1.00 0.00 WAT1 ATOM 5510 OH2 TIP3 1035 9.770 -27.680 24.546 1.00 0.00 WAT1 ATOM 5511 H1 TIP3 1035 8.911 -27.314 24.846 1.00 0.00 WAT1 ATOM 5512 H2 TIP3 1035 10.188 -26.935 24.062 1.00 0.00 WAT1 ATOM 5513 OH2 TIP3 1036 4.823 -30.145 26.037 1.00 0.00 WAT1 ATOM 5514 H1 TIP3 1036 4.985 -30.749 25.302 1.00 0.00 WAT1 ATOM 5515 H2 TIP3 1036 3.850 -30.216 26.198 1.00 0.00 WAT1 ATOM 5516 OH2 TIP3 1037 -1.475 -16.610 10.193 1.00 0.00 WAT1 ATOM 5517 H1 TIP3 1037 -0.538 -16.890 10.228 1.00 0.00 WAT1 ATOM 5518 H2 TIP3 1037 -1.809 -17.002 9.358 1.00 0.00 WAT1 ATOM 5519 OH2 TIP3 1038 13.911 -19.990 9.372 1.00 0.00 WAT1 ATOM 5520 H1 TIP3 1038 13.719 -20.499 8.556 1.00 0.00 WAT1 ATOM 5521 H2 TIP3 1038 14.875 -20.130 9.518 1.00 0.00 WAT1 ATOM 5522 OH2 TIP3 1039 13.198 -22.727 16.027 1.00 0.00 WAT1 ATOM 5523 H1 TIP3 1039 12.812 -23.394 16.635 1.00 0.00 WAT1 ATOM 5524 H2 TIP3 1039 12.446 -22.438 15.489 1.00 0.00 WAT1 ATOM 5525 OH2 TIP3 1040 10.267 -23.219 15.113 1.00 0.00 WAT1 ATOM 5526 H1 TIP3 1040 10.607 -24.137 15.071 1.00 0.00 WAT1 ATOM 5527 H2 TIP3 1040 9.457 -23.290 15.651 1.00 0.00 WAT1 ATOM 5528 OH2 TIP3 1041 14.212 -23.650 22.832 1.00 0.00 WAT1 ATOM 5529 H1 TIP3 1041 14.510 -23.362 21.937 1.00 0.00 WAT1 ATOM 5530 H2 TIP3 1041 14.805 -23.169 23.448 1.00 0.00 WAT1 ATOM 5531 OH2 TIP3 1042 13.641 -27.704 13.959 1.00 0.00 WAT1 ATOM 5532 H1 TIP3 1042 13.431 -26.784 13.766 1.00 0.00 WAT1 ATOM 5533 H2 TIP3 1042 13.318 -27.837 14.872 1.00 0.00 WAT1 ATOM 5534 OH2 TIP3 1043 11.402 -25.748 15.474 1.00 0.00 WAT1 ATOM 5535 H1 TIP3 1043 11.622 -26.673 15.665 1.00 0.00 WAT1 ATOM 5536 H2 TIP3 1043 11.575 -25.282 16.322 1.00 0.00 WAT1 ATOM 5537 OH2 TIP3 1044 11.822 -24.381 17.760 1.00 0.00 WAT1 ATOM 5538 H1 TIP3 1044 11.006 -24.164 18.262 1.00 0.00 WAT1 ATOM 5539 H2 TIP3 1044 12.434 -24.743 18.442 1.00 0.00 WAT1 ATOM 5540 OH2 TIP3 1045 16.991 -31.443 23.919 1.00 0.00 WAT1 ATOM 5541 H1 TIP3 1045 17.684 -32.091 23.747 1.00 0.00 WAT1 ATOM 5542 H2 TIP3 1045 16.299 -31.956 24.388 1.00 0.00 WAT1 ATOM 5543 OH2 TIP3 1046 14.012 -30.194 21.839 1.00 0.00 WAT1 ATOM 5544 H1 TIP3 1046 13.643 -29.652 22.560 1.00 0.00 WAT1 ATOM 5545 H2 TIP3 1046 13.574 -29.852 21.035 1.00 0.00 WAT1 ATOM 5546 OH2 TIP3 1047 6.500 -16.468 22.688 1.00 0.00 WAT1 ATOM 5547 H1 TIP3 1047 6.942 -16.519 23.561 1.00 0.00 WAT1 ATOM 5548 H2 TIP3 1047 6.518 -17.394 22.358 1.00 0.00 WAT1 ATOM 5549 OH2 TIP3 1048 -0.685 -12.441 19.918 1.00 0.00 WAT1 ATOM 5550 H1 TIP3 1048 0.041 -12.920 19.478 1.00 0.00 WAT1 ATOM 5551 H2 TIP3 1048 -1.153 -11.992 19.188 1.00 0.00 WAT1 ATOM 5552 OH2 TIP3 1049 0.401 -12.065 22.477 1.00 0.00 WAT1 ATOM 5553 H1 TIP3 1049 1.001 -11.318 22.262 1.00 0.00 WAT1 ATOM 5554 H2 TIP3 1049 -0.133 -12.183 21.661 1.00 0.00 WAT1 ATOM 5555 OH2 TIP3 1050 4.299 -14.108 20.233 1.00 0.00 WAT1 ATOM 5556 H1 TIP3 1050 4.114 -13.430 19.542 1.00 0.00 WAT1 ATOM 5557 H2 TIP3 1050 5.263 -14.027 20.395 1.00 0.00 WAT1 ATOM 5558 OH2 TIP3 1051 -0.020 -15.275 12.570 1.00 0.00 WAT1 ATOM 5559 H1 TIP3 1051 0.747 -15.006 12.029 1.00 0.00 WAT1 ATOM 5560 H2 TIP3 1051 -0.732 -14.675 12.287 1.00 0.00 WAT1 ATOM 5561 OH2 TIP3 1052 6.878 -14.269 5.944 1.00 0.00 WAT1 ATOM 5562 H1 TIP3 1052 7.704 -14.794 5.992 1.00 0.00 WAT1 ATOM 5563 H2 TIP3 1052 6.965 -13.766 5.115 1.00 0.00 WAT1 ATOM 5564 OH2 TIP3 1053 1.395 -12.207 7.782 1.00 0.00 WAT1 ATOM 5565 H1 TIP3 1053 1.039 -11.374 7.393 1.00 0.00 WAT1 ATOM 5566 H2 TIP3 1053 2.064 -12.504 7.137 1.00 0.00 WAT1 ATOM 5567 OH2 TIP3 1054 9.813 -31.331 24.253 1.00 0.00 WAT1 ATOM 5568 H1 TIP3 1054 9.628 -30.610 23.627 1.00 0.00 WAT1 ATOM 5569 H2 TIP3 1054 9.023 -31.359 24.833 1.00 0.00 WAT1 ATOM 5570 OH2 TIP3 1055 0.681 -20.142 29.982 1.00 0.00 WAT1 ATOM 5571 H1 TIP3 1055 1.346 -19.615 29.485 1.00 0.00 WAT1 ATOM 5572 H2 TIP3 1055 0.707 -19.777 30.871 1.00 0.00 WAT1 ATOM 5573 OH2 TIP3 1056 -4.994 -20.424 31.261 1.00 0.00 WAT1 ATOM 5574 H1 TIP3 1056 -5.556 -19.967 31.891 1.00 0.00 WAT1 ATOM 5575 H2 TIP3 1056 -5.330 -21.349 31.264 1.00 0.00 WAT1 ATOM 5576 OH2 TIP3 1057 -3.310 -19.801 29.246 1.00 0.00 WAT1 ATOM 5577 H1 TIP3 1057 -3.575 -20.450 28.564 1.00 0.00 WAT1 ATOM 5578 H2 TIP3 1057 -3.879 -20.020 30.021 1.00 0.00 WAT1 ATOM 5579 OH2 TIP3 1058 9.359 -22.169 27.155 1.00 0.00 WAT1 ATOM 5580 H1 TIP3 1058 10.120 -21.647 27.466 1.00 0.00 WAT1 ATOM 5581 H2 TIP3 1058 9.731 -22.730 26.445 1.00 0.00 WAT1 ATOM 5582 OH2 TIP3 1059 11.652 -20.514 27.393 1.00 0.00 WAT1 ATOM 5583 H1 TIP3 1059 11.644 -19.692 27.894 1.00 0.00 WAT1 ATOM 5584 H2 TIP3 1059 11.591 -20.223 26.448 1.00 0.00 WAT1 ATOM 5585 OH2 TIP3 1060 11.696 -31.198 26.975 1.00 0.00 WAT1 ATOM 5586 H1 TIP3 1060 11.373 -31.505 27.846 1.00 0.00 WAT1 ATOM 5587 H2 TIP3 1060 11.118 -30.442 26.762 1.00 0.00 WAT1 ATOM 5588 OH2 TIP3 1061 3.140 -22.660 27.354 1.00 0.00 WAT1 ATOM 5589 H1 TIP3 1061 2.504 -22.764 28.098 1.00 0.00 WAT1 ATOM 5590 H2 TIP3 1061 3.282 -23.575 27.033 1.00 0.00 WAT1 ATOM 5591 OH2 TIP3 1062 11.662 -19.946 24.776 1.00 0.00 WAT1 ATOM 5592 H1 TIP3 1062 11.876 -20.776 24.307 1.00 0.00 WAT1 ATOM 5593 H2 TIP3 1062 11.307 -19.366 24.077 1.00 0.00 WAT1 ATOM 5594 OH2 TIP3 1063 7.606 -26.311 25.640 1.00 0.00 WAT1 ATOM 5595 H1 TIP3 1063 7.059 -25.506 25.454 1.00 0.00 WAT1 ATOM 5596 H2 TIP3 1063 8.018 -26.120 26.493 1.00 0.00 WAT1 ATOM 5597 OH2 TIP3 1064 0.964 -25.828 25.796 1.00 0.00 WAT1 ATOM 5598 H1 TIP3 1064 0.506 -26.330 26.509 1.00 0.00 WAT1 ATOM 5599 H2 TIP3 1064 1.259 -26.524 25.164 1.00 0.00 WAT1 ATOM 5600 OH2 TIP3 1065 -0.193 -27.912 31.971 1.00 0.00 WAT1 ATOM 5601 H1 TIP3 1065 -0.028 -27.393 32.764 1.00 0.00 WAT1 ATOM 5602 H2 TIP3 1065 0.623 -28.454 31.865 1.00 0.00 WAT1 ATOM 5603 OH2 TIP3 1066 -0.996 -24.057 29.873 1.00 0.00 WAT1 ATOM 5604 H1 TIP3 1066 -1.244 -24.891 30.281 1.00 0.00 WAT1 ATOM 5605 H2 TIP3 1066 -1.439 -24.077 28.995 1.00 0.00 WAT1 ATOM 5606 OH2 TIP3 1067 1.325 -22.759 29.356 1.00 0.00 WAT1 ATOM 5607 H1 TIP3 1067 1.140 -21.861 29.692 1.00 0.00 WAT1 ATOM 5608 H2 TIP3 1067 0.550 -23.289 29.647 1.00 0.00 WAT1 ATOM 5609 OH2 TIP3 1068 5.960 -24.176 25.613 1.00 0.00 WAT1 ATOM 5610 H1 TIP3 1068 5.051 -24.425 25.885 1.00 0.00 WAT1 ATOM 5611 H2 TIP3 1068 6.070 -23.270 25.954 1.00 0.00 WAT1 ATOM 5612 OH2 TIP3 1069 5.185 -27.463 26.482 1.00 0.00 WAT1 ATOM 5613 H1 TIP3 1069 5.994 -27.170 26.021 1.00 0.00 WAT1 ATOM 5614 H2 TIP3 1069 5.031 -28.373 26.145 1.00 0.00 WAT1 ATOM 5615 OH2 TIP3 1070 2.236 -29.259 31.831 1.00 0.00 WAT1 ATOM 5616 H1 TIP3 1070 2.807 -29.784 32.400 1.00 0.00 WAT1 ATOM 5617 H2 TIP3 1070 2.862 -28.777 31.240 1.00 0.00 WAT1 ATOM 5618 OH2 TIP3 1071 13.703 -22.227 26.547 1.00 0.00 WAT1 ATOM 5619 H1 TIP3 1071 13.360 -23.040 26.929 1.00 0.00 WAT1 ATOM 5620 H2 TIP3 1071 13.084 -21.537 26.860 1.00 0.00 WAT1 ATOM 5621 OH2 TIP3 1072 6.926 -18.765 25.070 1.00 0.00 WAT1 ATOM 5622 H1 TIP3 1072 7.250 -19.329 25.784 1.00 0.00 WAT1 ATOM 5623 H2 TIP3 1072 7.499 -17.971 25.108 1.00 0.00 WAT1 ATOM 5624 OH2 TIP3 1073 2.790 -18.622 28.880 1.00 0.00 WAT1 ATOM 5625 H1 TIP3 1073 3.307 -19.260 28.328 1.00 0.00 WAT1 ATOM 5626 H2 TIP3 1073 3.459 -18.030 29.239 1.00 0.00 WAT1 ATOM 5627 OH2 TIP3 1074 3.539 -25.191 26.427 1.00 0.00 WAT1 ATOM 5628 H1 TIP3 1074 2.596 -25.387 26.224 1.00 0.00 WAT1 ATOM 5629 H2 TIP3 1074 3.953 -26.073 26.523 1.00 0.00 WAT1 ATOM 5630 OH2 TIP3 1075 4.595 -13.557 27.518 1.00 0.00 WAT1 ATOM 5631 H1 TIP3 1075 4.559 -14.263 26.830 1.00 0.00 WAT1 ATOM 5632 H2 TIP3 1075 5.520 -13.516 27.762 1.00 0.00 WAT1 ATOM 5633 OH2 TIP3 1076 4.155 -28.045 30.322 1.00 0.00 WAT1 ATOM 5634 H1 TIP3 1076 4.874 -28.520 29.856 1.00 0.00 WAT1 ATOM 5635 H2 TIP3 1076 4.160 -27.165 29.930 1.00 0.00 WAT1 ATOM 5636 OH2 TIP3 1077 3.348 -17.533 24.511 1.00 0.00 WAT1 ATOM 5637 H1 TIP3 1077 2.674 -17.680 25.216 1.00 0.00 WAT1 ATOM 5638 H2 TIP3 1077 3.764 -18.410 24.388 1.00 0.00 WAT1 ATOM 5639 OH2 TIP3 1078 1.567 -17.584 26.547 1.00 0.00 WAT1 ATOM 5640 H1 TIP3 1078 1.186 -16.701 26.730 1.00 0.00 WAT1 ATOM 5641 H2 TIP3 1078 1.838 -17.914 27.423 1.00 0.00 WAT1 ATOM 5642 OH2 TIP3 1079 4.752 -19.826 23.898 1.00 0.00 WAT1 ATOM 5643 H1 TIP3 1079 5.547 -19.453 24.357 1.00 0.00 WAT1 ATOM 5644 H2 TIP3 1079 4.569 -20.646 24.375 1.00 0.00 WAT1 ATOM 5645 OH2 TIP3 1080 8.408 -16.459 24.695 1.00 0.00 WAT1 ATOM 5646 H1 TIP3 1080 9.004 -16.452 23.910 1.00 0.00 WAT1 ATOM 5647 H2 TIP3 1080 8.652 -15.666 25.183 1.00 0.00 WAT1 ATOM 5648 OH2 TIP3 1081 4.418 -20.285 27.429 1.00 0.00 WAT1 ATOM 5649 H1 TIP3 1081 3.894 -21.121 27.418 1.00 0.00 WAT1 ATOM 5650 H2 TIP3 1081 5.293 -20.554 27.093 1.00 0.00 WAT1 ATOM 5651 OH2 TIP3 1082 6.774 -21.510 26.364 1.00 0.00 WAT1 ATOM 5652 H1 TIP3 1082 7.128 -21.645 25.456 1.00 0.00 WAT1 ATOM 5653 H2 TIP3 1082 7.532 -21.733 26.946 1.00 0.00 WAT1 ATOM 5654 OH2 TIP3 1083 4.705 -15.307 25.481 1.00 0.00 WAT1 ATOM 5655 H1 TIP3 1083 4.589 -14.878 24.614 1.00 0.00 WAT1 ATOM 5656 H2 TIP3 1083 4.310 -16.193 25.358 1.00 0.00 WAT1 ATOM 5657 OH2 TIP3 1084 12.595 -28.440 23.638 1.00 0.00 WAT1 ATOM 5658 H1 TIP3 1084 12.694 -27.604 23.138 1.00 0.00 WAT1 ATOM 5659 H2 TIP3 1084 11.666 -28.439 23.926 1.00 0.00 WAT1 ATOM 5660 OH2 TIP3 1085 17.195 -28.725 23.567 1.00 0.00 WAT1 ATOM 5661 H1 TIP3 1085 16.514 -28.404 24.200 1.00 0.00 WAT1 ATOM 5662 H2 TIP3 1085 17.139 -29.707 23.634 1.00 0.00 WAT1 ATOM 5663 OH2 TIP3 1086 -2.791 -26.744 26.014 1.00 0.00 WAT1 ATOM 5664 H1 TIP3 1086 -3.731 -26.912 26.215 1.00 0.00 WAT1 ATOM 5665 H2 TIP3 1086 -2.798 -26.417 25.082 1.00 0.00 WAT1 ATOM 5666 OH2 TIP3 1087 -0.638 -27.117 27.578 1.00 0.00 WAT1 ATOM 5667 H1 TIP3 1087 -1.009 -27.049 28.467 1.00 0.00 WAT1 ATOM 5668 H2 TIP3 1087 -1.414 -26.984 26.982 1.00 0.00 WAT1 ATOM 5669 OH2 TIP3 1088 9.625 -29.359 26.742 1.00 0.00 WAT1 ATOM 5670 H1 TIP3 1088 8.977 -30.038 26.463 1.00 0.00 WAT1 ATOM 5671 H2 TIP3 1088 9.743 -28.798 25.946 1.00 0.00 WAT1 ATOM 5672 OH2 TIP3 1089 0.367 -15.036 26.982 1.00 0.00 WAT1 ATOM 5673 H1 TIP3 1089 0.528 -14.344 27.651 1.00 0.00 WAT1 ATOM 5674 H2 TIP3 1089 0.208 -14.534 26.158 1.00 0.00 WAT1 ATOM 5675 OH2 TIP3 1090 5.994 -29.162 28.552 1.00 0.00 WAT1 ATOM 5676 H1 TIP3 1090 5.630 -29.913 28.054 1.00 0.00 WAT1 ATOM 5677 H2 TIP3 1090 5.831 -28.393 27.969 1.00 0.00 WAT1 ATOM 5678 OH2 TIP3 1091 -1.937 -5.347 -12.166 1.00 0.00 WAT1 ATOM 5679 H1 TIP3 1091 -1.838 -5.463 -13.139 1.00 0.00 WAT1 ATOM 5680 H2 TIP3 1091 -2.836 -5.687 -11.981 1.00 0.00 WAT1 ATOM 5681 OH2 TIP3 1092 -0.501 -7.202 -10.572 1.00 0.00 WAT1 ATOM 5682 H1 TIP3 1092 -0.811 -6.589 -11.272 1.00 0.00 WAT1 ATOM 5683 H2 TIP3 1092 -0.524 -6.656 -9.752 1.00 0.00 WAT1 ATOM 5684 OH2 TIP3 1093 -2.580 -9.064 -10.535 1.00 0.00 WAT1 ATOM 5685 H1 TIP3 1093 -1.931 -8.364 -10.733 1.00 0.00 WAT1 ATOM 5686 H2 TIP3 1093 -2.049 -9.763 -10.094 1.00 0.00 WAT1 ATOM 5687 OH2 TIP3 1094 -2.313 -6.092 -14.776 1.00 0.00 WAT1 ATOM 5688 H1 TIP3 1094 -3.240 -6.055 -15.037 1.00 0.00 WAT1 ATOM 5689 H2 TIP3 1094 -1.906 -6.689 -15.432 1.00 0.00 WAT1 ATOM 5690 OH2 TIP3 1095 -1.866 -7.838 -16.921 1.00 0.00 WAT1 ATOM 5691 H1 TIP3 1095 -1.603 -8.766 -17.100 1.00 0.00 WAT1 ATOM 5692 H2 TIP3 1095 -1.252 -7.305 -17.478 1.00 0.00 WAT1 ATOM 5693 OH2 TIP3 1096 2.257 -15.015 -12.727 1.00 0.00 WAT1 ATOM 5694 H1 TIP3 1096 1.709 -15.138 -13.512 1.00 0.00 WAT1 ATOM 5695 H2 TIP3 1096 3.174 -14.915 -13.085 1.00 0.00 WAT1 ATOM 5696 OH2 TIP3 1097 -3.207 -3.600 -5.685 1.00 0.00 WAT1 ATOM 5697 H1 TIP3 1097 -2.452 -3.488 -5.076 1.00 0.00 WAT1 ATOM 5698 H2 TIP3 1097 -2.978 -3.038 -6.457 1.00 0.00 WAT1 ATOM 5699 OH2 TIP3 1098 3.288 -12.030 -5.949 1.00 0.00 WAT1 ATOM 5700 H1 TIP3 1098 3.946 -11.344 -5.794 1.00 0.00 WAT1 ATOM 5701 H2 TIP3 1098 3.816 -12.861 -6.014 1.00 0.00 WAT1 ATOM 5702 OH2 TIP3 1099 -1.113 -8.588 -2.828 1.00 0.00 WAT1 ATOM 5703 H1 TIP3 1099 -0.728 -9.321 -2.299 1.00 0.00 WAT1 ATOM 5704 H2 TIP3 1099 -0.519 -8.517 -3.608 1.00 0.00 WAT1 ATOM 5705 OH2 TIP3 1100 3.918 -10.466 -1.825 1.00 0.00 WAT1 ATOM 5706 H1 TIP3 1100 4.180 -9.545 -1.746 1.00 0.00 WAT1 ATOM 5707 H2 TIP3 1100 4.606 -10.957 -1.319 1.00 0.00 WAT1 ATOM 5708 OH2 TIP3 1101 2.642 -12.587 -2.944 1.00 0.00 WAT1 ATOM 5709 H1 TIP3 1101 2.968 -11.709 -2.634 1.00 0.00 WAT1 ATOM 5710 H2 TIP3 1101 2.473 -12.456 -3.892 1.00 0.00 WAT1 ATOM 5711 OH2 TIP3 1102 -7.103 1.763 -6.892 1.00 0.00 WAT1 ATOM 5712 H1 TIP3 1102 -6.956 2.125 -6.014 1.00 0.00 WAT1 ATOM 5713 H2 TIP3 1102 -7.713 1.005 -6.742 1.00 0.00 WAT1 ATOM 5714 OH2 TIP3 1103 6.482 -14.842 -4.051 1.00 0.00 WAT1 ATOM 5715 H1 TIP3 1103 5.876 -14.502 -3.352 1.00 0.00 WAT1 ATOM 5716 H2 TIP3 1103 7.377 -14.711 -3.668 1.00 0.00 WAT1 ATOM 5717 OH2 TIP3 1104 2.262 0.444 -4.385 1.00 0.00 WAT1 ATOM 5718 H1 TIP3 1104 3.204 0.538 -4.205 1.00 0.00 WAT1 ATOM 5719 H2 TIP3 1104 1.886 1.295 -4.132 1.00 0.00 WAT1 ATOM 5720 OH2 TIP3 1105 -2.642 -2.223 -7.960 1.00 0.00 WAT1 ATOM 5721 H1 TIP3 1105 -3.238 -1.449 -8.093 1.00 0.00 WAT1 ATOM 5722 H2 TIP3 1105 -2.406 -2.500 -8.869 1.00 0.00 WAT1 ATOM 5723 OH2 TIP3 1106 0.434 -13.167 -1.438 1.00 0.00 WAT1 ATOM 5724 H1 TIP3 1106 1.242 -13.062 -1.985 1.00 0.00 WAT1 ATOM 5725 H2 TIP3 1106 0.119 -12.247 -1.305 1.00 0.00 WAT1 ATOM 5726 OH2 TIP3 1107 0.191 -8.063 -5.184 1.00 0.00 WAT1 ATOM 5727 H1 TIP3 1107 0.680 -8.720 -5.736 1.00 0.00 WAT1 ATOM 5728 H2 TIP3 1107 0.317 -7.229 -5.648 1.00 0.00 WAT1 ATOM 5729 OH2 TIP3 1108 1.246 -9.197 -9.652 1.00 0.00 WAT1 ATOM 5730 H1 TIP3 1108 0.638 -8.491 -9.971 1.00 0.00 WAT1 ATOM 5731 H2 TIP3 1108 2.000 -9.147 -10.250 1.00 0.00 WAT1 ATOM 5732 OH2 TIP3 1109 -3.488 -5.178 -9.385 1.00 0.00 WAT1 ATOM 5733 H1 TIP3 1109 -3.887 -5.564 -10.193 1.00 0.00 WAT1 ATOM 5734 H2 TIP3 1109 -3.117 -4.322 -9.692 1.00 0.00 WAT1 ATOM 5735 OH2 TIP3 1110 1.424 -14.017 -6.189 1.00 0.00 WAT1 ATOM 5736 H1 TIP3 1110 2.031 -13.258 -6.293 1.00 0.00 WAT1 ATOM 5737 H2 TIP3 1110 0.706 -13.669 -5.626 1.00 0.00 WAT1 ATOM 5738 OH2 TIP3 1111 0.897 -1.850 -5.163 1.00 0.00 WAT1 ATOM 5739 H1 TIP3 1111 1.366 -2.025 -5.983 1.00 0.00 WAT1 ATOM 5740 H2 TIP3 1111 1.322 -1.038 -4.811 1.00 0.00 WAT1 ATOM 5741 OH2 TIP3 1112 -1.955 -3.178 -10.414 1.00 0.00 WAT1 ATOM 5742 H1 TIP3 1112 -1.767 -3.781 -11.167 1.00 0.00 WAT1 ATOM 5743 H2 TIP3 1112 -1.250 -2.495 -10.468 1.00 0.00 WAT1 ATOM 5744 OH2 TIP3 1113 -0.091 -10.459 -1.079 1.00 0.00 WAT1 ATOM 5745 H1 TIP3 1113 -0.705 -10.059 -0.415 1.00 0.00 WAT1 ATOM 5746 H2 TIP3 1113 0.785 -10.194 -0.777 1.00 0.00 WAT1 ATOM 5747 OH2 TIP3 1114 -0.905 -5.499 -8.493 1.00 0.00 WAT1 ATOM 5748 H1 TIP3 1114 -0.581 -4.627 -8.242 1.00 0.00 WAT1 ATOM 5749 H2 TIP3 1114 -1.829 -5.339 -8.770 1.00 0.00 WAT1 ATOM 5750 OH2 TIP3 1115 1.516 -9.706 -6.894 1.00 0.00 WAT1 ATOM 5751 H1 TIP3 1115 1.952 -10.563 -6.761 1.00 0.00 WAT1 ATOM 5752 H2 TIP3 1115 1.500 -9.592 -7.865 1.00 0.00 WAT1 ATOM 5753 OH2 TIP3 1116 -5.803 -3.030 -8.274 1.00 0.00 WAT1 ATOM 5754 H1 TIP3 1116 -6.082 -3.947 -8.068 1.00 0.00 WAT1 ATOM 5755 H2 TIP3 1116 -4.837 -3.074 -8.277 1.00 0.00 WAT1 ATOM 5756 OH2 TIP3 1117 4.844 -13.947 -2.060 1.00 0.00 WAT1 ATOM 5757 H1 TIP3 1117 5.228 -13.288 -1.450 1.00 0.00 WAT1 ATOM 5758 H2 TIP3 1117 3.992 -13.545 -2.338 1.00 0.00 WAT1 ATOM 5759 OH2 TIP3 1118 -1.066 -3.322 -3.969 1.00 0.00 WAT1 ATOM 5760 H1 TIP3 1118 -0.323 -2.884 -4.449 1.00 0.00 WAT1 ATOM 5761 H2 TIP3 1118 -1.247 -2.732 -3.229 1.00 0.00 WAT1 ATOM 5762 OH2 TIP3 1119 -3.281 -7.688 -1.384 1.00 0.00 WAT1 ATOM 5763 H1 TIP3 1119 -2.519 -8.038 -1.898 1.00 0.00 WAT1 ATOM 5764 H2 TIP3 1119 -3.626 -6.972 -1.935 1.00 0.00 WAT1 ATOM 5765 OH2 TIP3 1120 -3.500 -11.233 1.240 1.00 0.00 WAT1 ATOM 5766 H1 TIP3 1120 -2.921 -10.688 1.792 1.00 0.00 WAT1 ATOM 5767 H2 TIP3 1120 -3.995 -10.584 0.699 1.00 0.00 WAT1 ATOM 5768 OH2 TIP3 1121 8.937 -14.559 -2.840 1.00 0.00 WAT1 ATOM 5769 H1 TIP3 1121 9.456 -14.829 -3.629 1.00 0.00 WAT1 ATOM 5770 H2 TIP3 1121 9.300 -15.097 -2.122 1.00 0.00 WAT1 ATOM 5771 OH2 TIP3 1122 4.720 -14.361 -6.156 1.00 0.00 WAT1 ATOM 5772 H1 TIP3 1122 4.341 -15.264 -6.218 1.00 0.00 WAT1 ATOM 5773 H2 TIP3 1122 5.444 -14.451 -5.503 1.00 0.00 WAT1 ATOM 5774 OH2 TIP3 1123 -0.981 -10.798 -9.279 1.00 0.00 WAT1 ATOM 5775 H1 TIP3 1123 -0.065 -10.461 -9.331 1.00 0.00 WAT1 ATOM 5776 H2 TIP3 1123 -0.903 -11.750 -9.510 1.00 0.00 WAT1 ATOM 5777 OH2 TIP3 1124 7.100 -12.866 3.552 1.00 0.00 WAT1 ATOM 5778 H1 TIP3 1124 7.269 -11.931 3.719 1.00 0.00 WAT1 ATOM 5779 H2 TIP3 1124 6.115 -12.924 3.481 1.00 0.00 WAT1 ATOM 5780 OH2 TIP3 1125 -1.623 -6.450 17.127 1.00 0.00 WAT1 ATOM 5781 H1 TIP3 1125 -2.509 -6.865 17.164 1.00 0.00 WAT1 ATOM 5782 H2 TIP3 1125 -1.802 -5.532 16.904 1.00 0.00 WAT1 ATOM 5783 OH2 TIP3 1126 3.902 -8.538 12.016 1.00 0.00 WAT1 ATOM 5784 H1 TIP3 1126 3.024 -8.949 12.181 1.00 0.00 WAT1 ATOM 5785 H2 TIP3 1126 3.981 -7.863 12.699 1.00 0.00 WAT1 ATOM 5786 OH2 TIP3 1127 0.167 -8.123 18.316 1.00 0.00 WAT1 ATOM 5787 H1 TIP3 1127 0.649 -7.643 19.035 1.00 0.00 WAT1 ATOM 5788 H2 TIP3 1127 -0.365 -7.420 17.873 1.00 0.00 WAT1 ATOM 5789 OH2 TIP3 1128 1.777 -10.353 18.928 1.00 0.00 WAT1 ATOM 5790 H1 TIP3 1128 1.324 -11.014 18.356 1.00 0.00 WAT1 ATOM 5791 H2 TIP3 1128 1.344 -9.509 18.701 1.00 0.00 WAT1 ATOM 5792 OH2 TIP3 1129 1.477 -6.919 20.360 1.00 0.00 WAT1 ATOM 5793 H1 TIP3 1129 1.443 -7.120 21.323 1.00 0.00 WAT1 ATOM 5794 H2 TIP3 1129 2.108 -6.197 20.294 1.00 0.00 WAT1 ATOM 5795 OH2 TIP3 1130 1.529 -14.191 19.144 1.00 0.00 WAT1 ATOM 5796 H1 TIP3 1130 2.212 -14.294 19.829 1.00 0.00 WAT1 ATOM 5797 H2 TIP3 1130 1.935 -13.582 18.498 1.00 0.00 WAT1 ATOM 5798 OH2 TIP3 1131 0.555 -12.005 17.125 1.00 0.00 WAT1 ATOM 5799 H1 TIP3 1131 0.148 -12.853 16.841 1.00 0.00 WAT1 ATOM 5800 H2 TIP3 1131 0.154 -11.341 16.537 1.00 0.00 WAT1 ATOM 5801 OH2 TIP3 1132 1.769 -7.419 23.014 1.00 0.00 WAT1 ATOM 5802 H1 TIP3 1132 2.043 -6.576 23.447 1.00 0.00 WAT1 ATOM 5803 H2 TIP3 1132 1.463 -7.978 23.760 1.00 0.00 WAT1 ATOM 5804 OH2 TIP3 1133 1.650 -10.027 12.624 1.00 0.00 WAT1 ATOM 5805 H1 TIP3 1133 1.320 -10.504 11.824 1.00 0.00 WAT1 ATOM 5806 H2 TIP3 1133 0.873 -9.961 13.197 1.00 0.00 WAT1 ATOM 5807 OH2 TIP3 1134 1.972 -8.084 7.728 1.00 0.00 WAT1 ATOM 5808 H1 TIP3 1134 2.747 -8.262 8.305 1.00 0.00 WAT1 ATOM 5809 H2 TIP3 1134 1.937 -7.126 7.676 1.00 0.00 WAT1 ATOM 5810 OH2 TIP3 1135 4.063 -11.053 13.421 1.00 0.00 WAT1 ATOM 5811 H1 TIP3 1135 3.126 -10.802 13.267 1.00 0.00 WAT1 ATOM 5812 H2 TIP3 1135 4.563 -10.456 12.842 1.00 0.00 WAT1 ATOM 5813 OH2 TIP3 1136 -3.276 -9.136 14.926 1.00 0.00 WAT1 ATOM 5814 H1 TIP3 1136 -2.362 -9.367 15.200 1.00 0.00 WAT1 ATOM 5815 H2 TIP3 1136 -3.615 -8.601 15.671 1.00 0.00 WAT1 ATOM 5816 OH2 TIP3 1137 -0.888 -9.767 16.203 1.00 0.00 WAT1 ATOM 5817 H1 TIP3 1137 -0.396 -9.125 16.748 1.00 0.00 WAT1 ATOM 5818 H2 TIP3 1137 -1.456 -10.251 16.856 1.00 0.00 WAT1 ATOM 5819 OH2 TIP3 1138 2.338 -5.086 24.387 1.00 0.00 WAT1 ATOM 5820 H1 TIP3 1138 2.967 -4.423 24.681 1.00 0.00 WAT1 ATOM 5821 H2 TIP3 1138 1.530 -4.905 24.922 1.00 0.00 WAT1 ATOM 5822 OH2 TIP3 1139 4.100 -7.901 9.380 1.00 0.00 WAT1 ATOM 5823 H1 TIP3 1139 4.065 -8.163 10.325 1.00 0.00 WAT1 ATOM 5824 H2 TIP3 1139 5.035 -7.784 9.202 1.00 0.00 WAT1 ATOM 5825 OH2 TIP3 1140 3.569 -12.342 18.316 1.00 0.00 WAT1 ATOM 5826 H1 TIP3 1140 3.969 -12.115 17.445 1.00 0.00 WAT1 ATOM 5827 H2 TIP3 1140 3.084 -11.530 18.574 1.00 0.00 WAT1 ATOM 5828 OH2 TIP3 1141 2.148 -10.070 21.735 1.00 0.00 WAT1 ATOM 5829 H1 TIP3 1141 2.139 -10.129 20.755 1.00 0.00 WAT1 ATOM 5830 H2 TIP3 1141 2.131 -9.114 21.916 1.00 0.00 WAT1 ATOM 5831 OH2 TIP3 1142 -1.747 -9.149 25.547 1.00 0.00 WAT1 ATOM 5832 H1 TIP3 1142 -2.511 -9.438 24.993 1.00 0.00 WAT1 ATOM 5833 H2 TIP3 1142 -1.656 -9.867 26.213 1.00 0.00 WAT1 ATOM 5834 OH2 TIP3 1143 6.943 -14.429 20.921 1.00 0.00 WAT1 ATOM 5835 H1 TIP3 1143 6.881 -15.136 21.606 1.00 0.00 WAT1 ATOM 5836 H2 TIP3 1143 7.808 -14.033 21.068 1.00 0.00 WAT1 ATOM 5837 OH2 TIP3 1144 -2.251 -8.884 19.448 1.00 0.00 WAT1 ATOM 5838 H1 TIP3 1144 -1.336 -8.578 19.298 1.00 0.00 WAT1 ATOM 5839 H2 TIP3 1144 -2.302 -9.741 18.947 1.00 0.00 WAT1 ATOM 5840 OH2 TIP3 1145 -4.090 -9.315 11.978 1.00 0.00 WAT1 ATOM 5841 H1 TIP3 1145 -4.881 -9.376 12.548 1.00 0.00 WAT1 ATOM 5842 H2 TIP3 1145 -3.360 -9.183 12.605 1.00 0.00 WAT1 ATOM 5843 OH2 TIP3 1146 0.745 -11.452 10.429 1.00 0.00 WAT1 ATOM 5844 H1 TIP3 1146 -0.141 -11.134 10.159 1.00 0.00 WAT1 ATOM 5845 H2 TIP3 1146 1.184 -11.679 9.581 1.00 0.00 WAT1 ATOM 5846 OH2 TIP3 1147 4.773 -11.617 16.004 1.00 0.00 WAT1 ATOM 5847 H1 TIP3 1147 5.726 -11.525 15.936 1.00 0.00 WAT1 ATOM 5848 H2 TIP3 1147 4.442 -11.347 15.124 1.00 0.00 WAT1 ATOM 5849 OH2 TIP3 1148 0.149 -9.878 7.099 1.00 0.00 WAT1 ATOM 5850 H1 TIP3 1148 -0.466 -9.368 6.543 1.00 0.00 WAT1 ATOM 5851 H2 TIP3 1148 0.858 -9.225 7.337 1.00 0.00 WAT1 ATOM 5852 OH2 TIP3 1149 0.967 -8.964 25.165 1.00 0.00 WAT1 ATOM 5853 H1 TIP3 1149 1.201 -8.708 26.066 1.00 0.00 WAT1 ATOM 5854 H2 TIP3 1149 -0.014 -9.039 25.186 1.00 0.00 WAT1 ATOM 5855 OH2 TIP3 1150 4.175 -14.961 22.818 1.00 0.00 WAT1 ATOM 5856 H1 TIP3 1150 4.985 -15.515 22.789 1.00 0.00 WAT1 ATOM 5857 H2 TIP3 1150 4.126 -14.564 21.922 1.00 0.00 WAT1 ATOM 5858 OH2 TIP3 1151 2.414 -12.149 26.782 1.00 0.00 WAT1 ATOM 5859 H1 TIP3 1151 2.767 -11.660 26.006 1.00 0.00 WAT1 ATOM 5860 H2 TIP3 1151 3.195 -12.642 27.129 1.00 0.00 WAT1 ATOM 5861 OH2 TIP3 1152 2.774 -10.884 24.358 1.00 0.00 WAT1 ATOM 5862 H1 TIP3 1152 2.825 -10.803 23.388 1.00 0.00 WAT1 ATOM 5863 H2 TIP3 1152 2.132 -10.193 24.619 1.00 0.00 WAT1 ATOM 5864 OH2 TIP3 1153 16.266 -43.675 -14.554 1.00 0.00 WAT1 ATOM 5865 H1 TIP3 1153 16.899 -43.859 -15.282 1.00 0.00 WAT1 ATOM 5866 H2 TIP3 1153 16.685 -44.075 -13.764 1.00 0.00 WAT1 ATOM 5867 OH2 TIP3 1154 19.132 -55.028 2.081 1.00 0.00 WAT1 ATOM 5868 H1 TIP3 1154 19.702 -54.863 1.304 1.00 0.00 WAT1 ATOM 5869 H2 TIP3 1154 18.787 -55.938 1.933 1.00 0.00 WAT1 ATOM 5870 OH2 TIP3 1155 20.467 -54.749 -0.389 1.00 0.00 WAT1 ATOM 5871 H1 TIP3 1155 20.234 -55.642 -0.729 1.00 0.00 WAT1 ATOM 5872 H2 TIP3 1155 20.466 -54.186 -1.180 1.00 0.00 WAT1 ATOM 5873 OH2 TIP3 1156 16.948 -60.769 -4.004 1.00 0.00 WAT1 ATOM 5874 H1 TIP3 1156 17.862 -60.582 -4.231 1.00 0.00 WAT1 ATOM 5875 H2 TIP3 1156 16.539 -59.875 -3.894 1.00 0.00 WAT1 ATOM 5876 OH2 TIP3 1157 16.239 -55.743 -4.336 1.00 0.00 WAT1 ATOM 5877 H1 TIP3 1157 16.395 -55.515 -5.280 1.00 0.00 WAT1 ATOM 5878 H2 TIP3 1157 17.139 -55.758 -3.944 1.00 0.00 WAT1 ATOM 5879 OH2 TIP3 1158 14.734 -62.010 -3.110 1.00 0.00 WAT1 ATOM 5880 H1 TIP3 1158 14.793 -62.910 -3.443 1.00 0.00 WAT1 ATOM 5881 H2 TIP3 1158 15.557 -61.574 -3.445 1.00 0.00 WAT1 ATOM 5882 OH2 TIP3 1159 21.326 -58.873 0.275 1.00 0.00 WAT1 ATOM 5883 H1 TIP3 1159 20.701 -59.323 0.873 1.00 0.00 WAT1 ATOM 5884 H2 TIP3 1159 22.011 -58.530 0.866 1.00 0.00 WAT1 ATOM 5885 OH2 TIP3 1160 21.952 -57.806 3.085 1.00 0.00 WAT1 ATOM 5886 H1 TIP3 1160 21.845 -57.509 4.016 1.00 0.00 WAT1 ATOM 5887 H2 TIP3 1160 22.179 -56.983 2.597 1.00 0.00 WAT1 ATOM 5888 OH2 TIP3 1161 14.220 -54.789 -7.582 1.00 0.00 WAT1 ATOM 5889 H1 TIP3 1161 13.975 -54.913 -6.645 1.00 0.00 WAT1 ATOM 5890 H2 TIP3 1161 15.195 -54.872 -7.583 1.00 0.00 WAT1 ATOM 5891 OH2 TIP3 1162 19.049 -56.571 -6.084 1.00 0.00 WAT1 ATOM 5892 H1 TIP3 1162 19.026 -56.430 -5.115 1.00 0.00 WAT1 ATOM 5893 H2 TIP3 1162 19.949 -56.852 -6.261 1.00 0.00 WAT1 ATOM 5894 OH2 TIP3 1163 21.965 -51.431 -2.560 1.00 0.00 WAT1 ATOM 5895 H1 TIP3 1163 21.168 -50.854 -2.442 1.00 0.00 WAT1 ATOM 5896 H2 TIP3 1163 22.558 -50.901 -3.111 1.00 0.00 WAT1 ATOM 5897 OH2 TIP3 1164 18.879 -55.875 -3.414 1.00 0.00 WAT1 ATOM 5898 H1 TIP3 1164 19.150 -56.446 -2.661 1.00 0.00 WAT1 ATOM 5899 H2 TIP3 1164 19.422 -55.061 -3.308 1.00 0.00 WAT1 ATOM 5900 OH2 TIP3 1165 22.243 -55.485 1.650 1.00 0.00 WAT1 ATOM 5901 H1 TIP3 1165 21.749 -55.323 0.826 1.00 0.00 WAT1 ATOM 5902 H2 TIP3 1165 22.377 -54.599 2.024 1.00 0.00 WAT1 ATOM 5903 OH2 TIP3 1166 21.330 -56.643 5.478 1.00 0.00 WAT1 ATOM 5904 H1 TIP3 1166 21.147 -55.736 5.170 1.00 0.00 WAT1 ATOM 5905 H2 TIP3 1166 20.893 -56.695 6.348 1.00 0.00 WAT1 ATOM 5906 OH2 TIP3 1167 20.687 -54.197 4.263 1.00 0.00 WAT1 ATOM 5907 H1 TIP3 1167 21.256 -53.678 3.659 1.00 0.00 WAT1 ATOM 5908 H2 TIP3 1167 20.054 -54.645 3.662 1.00 0.00 WAT1 ATOM 5909 OH2 TIP3 1168 19.360 -51.280 1.992 1.00 0.00 WAT1 ATOM 5910 H1 TIP3 1168 20.304 -51.489 1.913 1.00 0.00 WAT1 ATOM 5911 H2 TIP3 1168 19.198 -50.614 1.280 1.00 0.00 WAT1 ATOM 5912 OH2 TIP3 1169 19.747 -59.274 2.521 1.00 0.00 WAT1 ATOM 5913 H1 TIP3 1169 19.294 -59.536 3.351 1.00 0.00 WAT1 ATOM 5914 H2 TIP3 1169 20.567 -58.819 2.828 1.00 0.00 WAT1 ATOM 5915 OH2 TIP3 1170 20.373 -56.904 8.053 1.00 0.00 WAT1 ATOM 5916 H1 TIP3 1170 20.257 -56.238 8.773 1.00 0.00 WAT1 ATOM 5917 H2 TIP3 1170 21.116 -57.441 8.349 1.00 0.00 WAT1 ATOM 5918 OH2 TIP3 1171 19.617 -57.229 -1.105 1.00 0.00 WAT1 ATOM 5919 H1 TIP3 1171 18.936 -57.343 -0.407 1.00 0.00 WAT1 ATOM 5920 H2 TIP3 1171 20.318 -57.878 -0.859 1.00 0.00 WAT1 ATOM 5921 OH2 TIP3 1172 18.172 -57.469 1.269 1.00 0.00 WAT1 ATOM 5922 H1 TIP3 1172 17.277 -57.879 1.285 1.00 0.00 WAT1 ATOM 5923 H2 TIP3 1172 18.747 -58.139 1.708 1.00 0.00 WAT1 ATOM 5924 OH2 TIP3 1173 20.309 -53.521 -3.248 1.00 0.00 WAT1 ATOM 5925 H1 TIP3 1173 21.017 -52.934 -2.909 1.00 0.00 WAT1 ATOM 5926 H2 TIP3 1173 20.012 -53.078 -4.067 1.00 0.00 WAT1 ATOM 5927 OH2 TIP3 1174 24.037 -50.523 2.194 1.00 0.00 WAT1 ATOM 5928 H1 TIP3 1174 24.982 -50.424 2.032 1.00 0.00 WAT1 ATOM 5929 H2 TIP3 1174 23.663 -50.743 1.315 1.00 0.00 WAT1 ATOM 5930 OH2 TIP3 1175 19.912 -51.464 -5.211 1.00 0.00 WAT1 ATOM 5931 H1 TIP3 1175 20.529 -50.732 -5.052 1.00 0.00 WAT1 ATOM 5932 H2 TIP3 1175 19.115 -51.227 -4.689 1.00 0.00 WAT1 ATOM 5933 OH2 TIP3 1176 18.156 -52.629 -7.126 1.00 0.00 WAT1 ATOM 5934 H1 TIP3 1176 18.327 -52.265 -8.029 1.00 0.00 WAT1 ATOM 5935 H2 TIP3 1176 18.890 -52.275 -6.582 1.00 0.00 WAT1 ATOM 5936 OH2 TIP3 1177 18.460 -51.374 -9.525 1.00 0.00 WAT1 ATOM 5937 H1 TIP3 1177 17.650 -51.086 -9.989 1.00 0.00 WAT1 ATOM 5938 H2 TIP3 1177 19.113 -50.684 -9.745 1.00 0.00 WAT1 ATOM 5939 OH2 TIP3 1178 17.885 -49.039 3.054 1.00 0.00 WAT1 ATOM 5940 H1 TIP3 1178 18.120 -48.749 2.157 1.00 0.00 WAT1 ATOM 5941 H2 TIP3 1178 18.287 -49.918 3.129 1.00 0.00 WAT1 ATOM 5942 OH2 TIP3 1179 20.632 -53.021 6.770 1.00 0.00 WAT1 ATOM 5943 H1 TIP3 1179 20.768 -52.085 6.513 1.00 0.00 WAT1 ATOM 5944 H2 TIP3 1179 20.811 -53.519 5.945 1.00 0.00 WAT1 ATOM 5945 OH2 TIP3 1180 18.099 -54.091 6.441 1.00 0.00 WAT1 ATOM 5946 H1 TIP3 1180 18.150 -55.055 6.518 1.00 0.00 WAT1 ATOM 5947 H2 TIP3 1180 18.974 -53.777 6.757 1.00 0.00 WAT1 ATOM 5948 OH2 TIP3 1181 18.441 -59.815 4.877 1.00 0.00 WAT1 ATOM 5949 H1 TIP3 1181 18.379 -59.109 5.568 1.00 0.00 WAT1 ATOM 5950 H2 TIP3 1181 18.575 -60.625 5.379 1.00 0.00 WAT1 ATOM 5951 OH2 TIP3 1182 16.921 -55.087 -6.909 1.00 0.00 WAT1 ATOM 5952 H1 TIP3 1182 17.666 -55.724 -6.826 1.00 0.00 WAT1 ATOM 5953 H2 TIP3 1182 17.363 -54.220 -7.051 1.00 0.00 WAT1 ATOM 5954 OH2 TIP3 1183 14.708 -60.639 -0.622 1.00 0.00 WAT1 ATOM 5955 H1 TIP3 1183 14.852 -61.200 -1.410 1.00 0.00 WAT1 ATOM 5956 H2 TIP3 1183 13.781 -60.819 -0.369 1.00 0.00 WAT1 ATOM 5957 OH2 TIP3 1184 17.298 -52.992 1.843 1.00 0.00 WAT1 ATOM 5958 H1 TIP3 1184 17.994 -52.306 1.780 1.00 0.00 WAT1 ATOM 5959 H2 TIP3 1184 17.800 -53.827 1.953 1.00 0.00 WAT1 ATOM 5960 OH2 TIP3 1185 22.198 -52.773 2.411 1.00 0.00 WAT1 ATOM 5961 H1 TIP3 1185 22.201 -52.424 1.490 1.00 0.00 WAT1 ATOM 5962 H2 TIP3 1185 22.856 -52.225 2.871 1.00 0.00 WAT1 ATOM 5963 OH2 TIP3 1186 22.339 -51.288 0.137 1.00 0.00 WAT1 ATOM 5964 H1 TIP3 1186 22.322 -51.499 -0.825 1.00 0.00 WAT1 ATOM 5965 H2 TIP3 1186 21.932 -50.395 0.191 1.00 0.00 WAT1 ATOM 5966 OH2 TIP3 1187 18.499 -47.549 -7.874 1.00 0.00 WAT1 ATOM 5967 H1 TIP3 1187 18.503 -48.285 -7.252 1.00 0.00 WAT1 ATOM 5968 H2 TIP3 1187 19.133 -46.903 -7.484 1.00 0.00 WAT1 ATOM 5969 OH2 TIP3 1188 19.164 -48.822 -10.240 1.00 0.00 WAT1 ATOM 5970 H1 TIP3 1188 18.956 -48.324 -9.430 1.00 0.00 WAT1 ATOM 5971 H2 TIP3 1188 18.293 -49.005 -10.639 1.00 0.00 WAT1 ATOM 5972 OH2 TIP3 1189 15.893 -52.635 7.205 1.00 0.00 WAT1 ATOM 5973 H1 TIP3 1189 16.599 -53.246 6.906 1.00 0.00 WAT1 ATOM 5974 H2 TIP3 1189 16.311 -51.748 7.154 1.00 0.00 WAT1 ATOM 5975 OH2 TIP3 1190 17.094 -50.428 15.698 1.00 0.00 WAT1 ATOM 5976 H1 TIP3 1190 17.884 -50.457 15.118 1.00 0.00 WAT1 ATOM 5977 H2 TIP3 1190 17.444 -50.141 16.563 1.00 0.00 WAT1 ATOM 5978 OH2 TIP3 1191 18.152 -58.114 6.954 1.00 0.00 WAT1 ATOM 5979 H1 TIP3 1191 18.897 -57.700 7.436 1.00 0.00 WAT1 ATOM 5980 H2 TIP3 1191 17.487 -58.303 7.652 1.00 0.00 WAT1 ATOM 5981 OH2 TIP3 1192 20.289 -55.211 10.132 1.00 0.00 WAT1 ATOM 5982 H1 TIP3 1192 20.339 -54.251 9.927 1.00 0.00 WAT1 ATOM 5983 H2 TIP3 1192 20.234 -55.243 11.090 1.00 0.00 WAT1 ATOM 5984 OH2 TIP3 1193 20.408 -52.538 9.490 1.00 0.00 WAT1 ATOM 5985 H1 TIP3 1193 20.589 -51.566 9.541 1.00 0.00 WAT1 ATOM 5986 H2 TIP3 1193 20.520 -52.749 8.538 1.00 0.00 WAT1 ATOM 5987 OH2 TIP3 1194 18.296 -51.852 4.733 1.00 0.00 WAT1 ATOM 5988 H1 TIP3 1194 18.214 -52.098 3.798 1.00 0.00 WAT1 ATOM 5989 H2 TIP3 1194 18.173 -52.697 5.216 1.00 0.00 WAT1 ATOM 5990 OH2 TIP3 1195 18.814 -51.645 11.660 1.00 0.00 WAT1 ATOM 5991 H1 TIP3 1195 18.156 -51.160 11.146 1.00 0.00 WAT1 ATOM 5992 H2 TIP3 1195 19.392 -52.049 10.985 1.00 0.00 WAT1 ATOM 5993 OH2 TIP3 1196 16.014 -49.749 9.319 1.00 0.00 WAT1 ATOM 5994 H1 TIP3 1196 16.353 -48.960 9.801 1.00 0.00 WAT1 ATOM 5995 H2 TIP3 1196 16.608 -49.834 8.552 1.00 0.00 WAT1 ATOM 5996 OH2 TIP3 1197 17.228 -50.226 6.765 1.00 0.00 WAT1 ATOM 5997 H1 TIP3 1197 17.127 -49.319 6.402 1.00 0.00 WAT1 ATOM 5998 H2 TIP3 1197 17.707 -50.709 6.063 1.00 0.00 WAT1 ATOM 5999 OH2 TIP3 1198 19.445 -36.526 -19.869 1.00 0.00 WAT1 ATOM 6000 H1 TIP3 1198 18.722 -36.363 -20.491 1.00 0.00 WAT1 ATOM 6001 H2 TIP3 1198 20.003 -35.721 -19.938 1.00 0.00 WAT1 ATOM 6002 OH2 TIP3 1199 21.045 -34.478 -15.859 1.00 0.00 WAT1 ATOM 6003 H1 TIP3 1199 21.073 -34.307 -14.901 1.00 0.00 WAT1 ATOM 6004 H2 TIP3 1199 20.717 -35.398 -15.927 1.00 0.00 WAT1 ATOM 6005 OH2 TIP3 1200 17.728 -36.885 -17.696 1.00 0.00 WAT1 ATOM 6006 H1 TIP3 1200 18.413 -36.929 -18.392 1.00 0.00 WAT1 ATOM 6007 H2 TIP3 1200 17.101 -36.192 -18.026 1.00 0.00 WAT1 ATOM 6008 OH2 TIP3 1201 16.272 -35.042 -19.032 1.00 0.00 WAT1 ATOM 6009 H1 TIP3 1201 15.803 -34.271 -18.658 1.00 0.00 WAT1 ATOM 6010 H2 TIP3 1201 16.898 -34.650 -19.675 1.00 0.00 WAT1 ATOM 6011 OH2 TIP3 1202 20.829 -36.877 -13.521 1.00 0.00 WAT1 ATOM 6012 H1 TIP3 1202 20.187 -37.368 -12.987 1.00 0.00 WAT1 ATOM 6013 H2 TIP3 1202 20.583 -37.085 -14.448 1.00 0.00 WAT1 ATOM 6014 OH2 TIP3 1203 18.232 -33.570 -14.129 1.00 0.00 WAT1 ATOM 6015 H1 TIP3 1203 17.834 -34.363 -13.714 1.00 0.00 WAT1 ATOM 6016 H2 TIP3 1203 19.183 -33.638 -13.905 1.00 0.00 WAT1 ATOM 6017 OH2 TIP3 1204 15.545 -38.652 -17.600 1.00 0.00 WAT1 ATOM 6018 H1 TIP3 1204 15.290 -38.319 -16.728 1.00 0.00 WAT1 ATOM 6019 H2 TIP3 1204 16.326 -38.121 -17.837 1.00 0.00 WAT1 ATOM 6020 OH2 TIP3 1205 17.731 -43.917 -16.886 1.00 0.00 WAT1 ATOM 6021 H1 TIP3 1205 18.566 -43.553 -17.192 1.00 0.00 WAT1 ATOM 6022 H2 TIP3 1205 17.121 -43.789 -17.640 1.00 0.00 WAT1 ATOM 6023 OH2 TIP3 1206 20.804 -34.125 -20.298 1.00 0.00 WAT1 ATOM 6024 H1 TIP3 1206 21.017 -33.679 -19.438 1.00 0.00 WAT1 ATOM 6025 H2 TIP3 1206 21.607 -34.023 -20.820 1.00 0.00 WAT1 ATOM 6026 OH2 TIP3 1207 15.049 -33.628 -12.667 1.00 0.00 WAT1 ATOM 6027 H1 TIP3 1207 15.600 -34.222 -13.207 1.00 0.00 WAT1 ATOM 6028 H2 TIP3 1207 15.366 -32.732 -12.900 1.00 0.00 WAT1 ATOM 6029 OH2 TIP3 1208 17.811 -32.088 -10.832 1.00 0.00 WAT1 ATOM 6030 H1 TIP3 1208 17.827 -32.635 -10.023 1.00 0.00 WAT1 ATOM 6031 H2 TIP3 1208 18.739 -31.928 -11.026 1.00 0.00 WAT1 ATOM 6032 OH2 TIP3 1209 15.684 -39.574 -9.061 1.00 0.00 WAT1 ATOM 6033 H1 TIP3 1209 15.805 -40.375 -9.617 1.00 0.00 WAT1 ATOM 6034 H2 TIP3 1209 14.837 -39.201 -9.364 1.00 0.00 WAT1 ATOM 6035 OH2 TIP3 1210 15.909 -41.896 -10.547 1.00 0.00 WAT1 ATOM 6036 H1 TIP3 1210 16.110 -42.599 -9.891 1.00 0.00 WAT1 ATOM 6037 H2 TIP3 1210 15.321 -42.330 -11.183 1.00 0.00 WAT1 ATOM 6038 OH2 TIP3 1211 17.194 -44.716 -12.175 1.00 0.00 WAT1 ATOM 6039 H1 TIP3 1211 16.257 -44.773 -11.895 1.00 0.00 WAT1 ATOM 6040 H2 TIP3 1211 17.684 -45.181 -11.464 1.00 0.00 WAT1 ATOM 6041 OH2 TIP3 1212 15.262 -32.616 -18.089 1.00 0.00 WAT1 ATOM 6042 H1 TIP3 1212 14.384 -32.456 -18.503 1.00 0.00 WAT1 ATOM 6043 H2 TIP3 1212 15.726 -31.756 -18.183 1.00 0.00 WAT1 ATOM 6044 OH2 TIP3 1213 21.103 -38.177 -18.417 1.00 0.00 WAT1 ATOM 6045 H1 TIP3 1213 21.747 -38.571 -19.010 1.00 0.00 WAT1 ATOM 6046 H2 TIP3 1213 20.514 -37.663 -19.009 1.00 0.00 WAT1 ATOM 6047 OH2 TIP3 1214 18.505 -42.341 -11.568 1.00 0.00 WAT1 ATOM 6048 H1 TIP3 1214 18.212 -43.198 -11.930 1.00 0.00 WAT1 ATOM 6049 H2 TIP3 1214 17.679 -41.899 -11.309 1.00 0.00 WAT1 ATOM 6050 OH2 TIP3 1215 15.694 -43.361 -18.787 1.00 0.00 WAT1 ATOM 6051 H1 TIP3 1215 15.281 -42.519 -19.074 1.00 0.00 WAT1 ATOM 6052 H2 TIP3 1215 15.159 -44.051 -19.221 1.00 0.00 WAT1 ATOM 6053 OH2 TIP3 1216 16.130 -34.225 -15.910 1.00 0.00 WAT1 ATOM 6054 H1 TIP3 1216 15.785 -33.653 -16.625 1.00 0.00 WAT1 ATOM 6055 H2 TIP3 1216 16.931 -33.766 -15.599 1.00 0.00 WAT1 ATOM 6056 OH2 TIP3 1217 20.700 -34.244 -13.059 1.00 0.00 WAT1 ATOM 6057 H1 TIP3 1217 20.685 -34.146 -12.088 1.00 0.00 WAT1 ATOM 6058 H2 TIP3 1217 20.890 -35.203 -13.198 1.00 0.00 WAT1 ATOM 6059 OH2 TIP3 1218 21.491 -32.927 -18.003 1.00 0.00 WAT1 ATOM 6060 H1 TIP3 1218 21.297 -33.541 -17.250 1.00 0.00 WAT1 ATOM 6061 H2 TIP3 1218 21.918 -32.175 -17.586 1.00 0.00 WAT1 ATOM 6062 OH2 TIP3 1219 18.113 -33.801 -20.617 1.00 0.00 WAT1 ATOM 6063 H1 TIP3 1219 17.930 -32.862 -20.727 1.00 0.00 WAT1 ATOM 6064 H2 TIP3 1219 19.089 -33.848 -20.531 1.00 0.00 WAT1 ATOM 6065 OH2 TIP3 1220 14.683 -44.696 -11.006 1.00 0.00 WAT1 ATOM 6066 H1 TIP3 1220 14.218 -45.558 -10.888 1.00 0.00 WAT1 ATOM 6067 H2 TIP3 1220 15.162 -44.564 -10.161 1.00 0.00 WAT1 ATOM 6068 OH2 TIP3 1221 20.944 -42.656 0.300 1.00 0.00 WAT1 ATOM 6069 H1 TIP3 1221 20.358 -42.957 -0.435 1.00 0.00 WAT1 ATOM 6070 H2 TIP3 1221 21.410 -43.469 0.575 1.00 0.00 WAT1 ATOM 6071 OH2 TIP3 1222 18.410 -32.376 -6.087 1.00 0.00 WAT1 ATOM 6072 H1 TIP3 1222 18.930 -33.095 -5.680 1.00 0.00 WAT1 ATOM 6073 H2 TIP3 1222 17.488 -32.562 -5.811 1.00 0.00 WAT1 ATOM 6074 OH2 TIP3 1223 21.242 -40.430 -4.678 1.00 0.00 WAT1 ATOM 6075 H1 TIP3 1223 21.743 -40.224 -3.872 1.00 0.00 WAT1 ATOM 6076 H2 TIP3 1223 20.482 -40.954 -4.356 1.00 0.00 WAT1 ATOM 6077 OH2 TIP3 1224 24.073 -46.358 -0.765 1.00 0.00 WAT1 ATOM 6078 H1 TIP3 1224 23.564 -45.729 -1.323 1.00 0.00 WAT1 ATOM 6079 H2 TIP3 1224 25.004 -46.056 -0.861 1.00 0.00 WAT1 ATOM 6080 OH2 TIP3 1225 20.996 -43.603 -4.617 1.00 0.00 WAT1 ATOM 6081 H1 TIP3 1225 20.550 -43.584 -3.746 1.00 0.00 WAT1 ATOM 6082 H2 TIP3 1225 20.285 -43.412 -5.258 1.00 0.00 WAT1 ATOM 6083 OH2 TIP3 1226 25.680 -43.202 -3.329 1.00 0.00 WAT1 ATOM 6084 H1 TIP3 1226 25.164 -43.308 -4.151 1.00 0.00 WAT1 ATOM 6085 H2 TIP3 1226 25.083 -42.695 -2.738 1.00 0.00 WAT1 ATOM 6086 OH2 TIP3 1227 21.185 -48.869 0.631 1.00 0.00 WAT1 ATOM 6087 H1 TIP3 1227 21.274 -48.761 1.595 1.00 0.00 WAT1 ATOM 6088 H2 TIP3 1227 20.208 -48.857 0.475 1.00 0.00 WAT1 ATOM 6089 OH2 TIP3 1228 22.474 -46.175 -4.649 1.00 0.00 WAT1 ATOM 6090 H1 TIP3 1228 21.751 -45.820 -5.194 1.00 0.00 WAT1 ATOM 6091 H2 TIP3 1228 22.340 -47.141 -4.673 1.00 0.00 WAT1 ATOM 6092 OH2 TIP3 1229 18.056 -39.067 -4.074 1.00 0.00 WAT1 ATOM 6093 H1 TIP3 1229 18.495 -39.871 -3.745 1.00 0.00 WAT1 ATOM 6094 H2 TIP3 1229 17.405 -38.846 -3.370 1.00 0.00 WAT1 ATOM 6095 OH2 TIP3 1230 22.493 -44.727 -2.191 1.00 0.00 WAT1 ATOM 6096 H1 TIP3 1230 22.518 -45.139 -3.083 1.00 0.00 WAT1 ATOM 6097 H2 TIP3 1230 21.567 -44.403 -2.102 1.00 0.00 WAT1 ATOM 6098 OH2 TIP3 1231 22.685 -34.925 1.848 1.00 0.00 WAT1 ATOM 6099 H1 TIP3 1231 22.353 -34.348 1.150 1.00 0.00 WAT1 ATOM 6100 H2 TIP3 1231 21.923 -35.029 2.459 1.00 0.00 WAT1 ATOM 6101 OH2 TIP3 1232 20.893 -35.294 3.872 1.00 0.00 WAT1 ATOM 6102 H1 TIP3 1232 20.467 -34.773 4.586 1.00 0.00 WAT1 ATOM 6103 H2 TIP3 1232 21.176 -36.115 4.313 1.00 0.00 WAT1 ATOM 6104 OH2 TIP3 1233 21.264 -40.768 -1.716 1.00 0.00 WAT1 ATOM 6105 H1 TIP3 1233 21.191 -41.264 -0.875 1.00 0.00 WAT1 ATOM 6106 H2 TIP3 1233 20.362 -40.768 -2.072 1.00 0.00 WAT1 ATOM 6107 OH2 TIP3 1234 18.916 -37.919 -8.799 1.00 0.00 WAT1 ATOM 6108 H1 TIP3 1234 18.265 -37.910 -8.073 1.00 0.00 WAT1 ATOM 6109 H2 TIP3 1234 19.624 -38.505 -8.471 1.00 0.00 WAT1 ATOM 6110 OH2 TIP3 1235 22.767 -32.971 4.834 1.00 0.00 WAT1 ATOM 6111 H1 TIP3 1235 22.467 -32.679 3.945 1.00 0.00 WAT1 ATOM 6112 H2 TIP3 1235 23.107 -33.872 4.685 1.00 0.00 WAT1 ATOM 6113 OH2 TIP3 1236 19.050 -44.789 1.655 1.00 0.00 WAT1 ATOM 6114 H1 TIP3 1236 19.921 -45.171 1.421 1.00 0.00 WAT1 ATOM 6115 H2 TIP3 1236 18.779 -44.297 0.837 1.00 0.00 WAT1 ATOM 6116 OH2 TIP3 1237 20.192 -41.260 2.509 1.00 0.00 WAT1 ATOM 6117 H1 TIP3 1237 20.527 -40.398 2.239 1.00 0.00 WAT1 ATOM 6118 H2 TIP3 1237 20.355 -41.835 1.725 1.00 0.00 WAT1 ATOM 6119 OH2 TIP3 1238 20.295 -45.706 -7.005 1.00 0.00 WAT1 ATOM 6120 H1 TIP3 1238 20.768 -45.644 -7.863 1.00 0.00 WAT1 ATOM 6121 H2 TIP3 1238 19.896 -44.815 -6.887 1.00 0.00 WAT1 ATOM 6122 OH2 TIP3 1239 22.462 -48.389 -1.768 1.00 0.00 WAT1 ATOM 6123 H1 TIP3 1239 21.935 -48.521 -0.955 1.00 0.00 WAT1 ATOM 6124 H2 TIP3 1239 23.148 -47.742 -1.503 1.00 0.00 WAT1 ATOM 6125 OH2 TIP3 1240 23.658 -43.724 -5.192 1.00 0.00 WAT1 ATOM 6126 H1 TIP3 1240 23.719 -44.695 -5.175 1.00 0.00 WAT1 ATOM 6127 H2 TIP3 1240 22.727 -43.544 -4.928 1.00 0.00 WAT1 ATOM 6128 OH2 TIP3 1241 22.387 -43.220 -8.975 1.00 0.00 WAT1 ATOM 6129 H1 TIP3 1241 21.611 -42.691 -9.265 1.00 0.00 WAT1 ATOM 6130 H2 TIP3 1241 22.739 -42.717 -8.215 1.00 0.00 WAT1 ATOM 6131 OH2 TIP3 1242 22.400 -46.539 3.324 1.00 0.00 WAT1 ATOM 6132 H1 TIP3 1242 23.150 -45.935 3.359 1.00 0.00 WAT1 ATOM 6133 H2 TIP3 1242 21.812 -46.236 4.060 1.00 0.00 WAT1 ATOM 6134 OH2 TIP3 1243 24.014 -35.399 4.170 1.00 0.00 WAT1 ATOM 6135 H1 TIP3 1243 23.470 -36.136 4.498 1.00 0.00 WAT1 ATOM 6136 H2 TIP3 1243 23.733 -35.292 3.231 1.00 0.00 WAT1 ATOM 6137 OH2 TIP3 1244 19.055 -41.575 -3.331 1.00 0.00 WAT1 ATOM 6138 H1 TIP3 1244 18.289 -41.964 -3.798 1.00 0.00 WAT1 ATOM 6139 H2 TIP3 1244 19.343 -42.292 -2.712 1.00 0.00 WAT1 ATOM 6140 OH2 TIP3 1245 20.005 -38.955 4.180 1.00 0.00 WAT1 ATOM 6141 H1 TIP3 1245 19.175 -38.450 4.333 1.00 0.00 WAT1 ATOM 6142 H2 TIP3 1245 19.703 -39.829 3.882 1.00 0.00 WAT1 ATOM 6143 OH2 TIP3 1246 20.359 -39.736 -7.229 1.00 0.00 WAT1 ATOM 6144 H1 TIP3 1246 20.641 -39.764 -6.290 1.00 0.00 WAT1 ATOM 6145 H2 TIP3 1246 20.969 -40.349 -7.677 1.00 0.00 WAT1 ATOM 6146 OH2 TIP3 1247 18.002 -41.048 -7.768 1.00 0.00 WAT1 ATOM 6147 H1 TIP3 1247 18.703 -40.423 -7.486 1.00 0.00 WAT1 ATOM 6148 H2 TIP3 1247 17.283 -40.472 -8.087 1.00 0.00 WAT1 ATOM 6149 OH2 TIP3 1248 22.777 -41.616 -6.700 1.00 0.00 WAT1 ATOM 6150 H1 TIP3 1248 22.278 -41.184 -5.982 1.00 0.00 WAT1 ATOM 6151 H2 TIP3 1248 23.316 -42.293 -6.240 1.00 0.00 WAT1 ATOM 6152 OH2 TIP3 1249 17.922 -35.448 -6.690 1.00 0.00 WAT1 ATOM 6153 H1 TIP3 1249 17.749 -36.407 -6.586 1.00 0.00 WAT1 ATOM 6154 H2 TIP3 1249 18.487 -35.222 -5.921 1.00 0.00 WAT1 ATOM 6155 OH2 TIP3 1250 18.386 -33.586 -8.565 1.00 0.00 WAT1 ATOM 6156 H1 TIP3 1250 18.151 -34.388 -8.038 1.00 0.00 WAT1 ATOM 6157 H2 TIP3 1250 18.471 -32.880 -7.888 1.00 0.00 WAT1 ATOM 6158 OH2 TIP3 1251 18.933 -43.366 -6.526 1.00 0.00 WAT1 ATOM 6159 H1 TIP3 1251 18.248 -43.386 -5.828 1.00 0.00 WAT1 ATOM 6160 H2 TIP3 1251 18.668 -42.614 -7.098 1.00 0.00 WAT1 ATOM 6161 OH2 TIP3 1252 20.319 -34.508 -10.282 1.00 0.00 WAT1 ATOM 6162 H1 TIP3 1252 19.617 -34.150 -9.692 1.00 0.00 WAT1 ATOM 6163 H2 TIP3 1252 21.053 -34.699 -9.685 1.00 0.00 WAT1 ATOM 6164 OH2 TIP3 1253 21.186 -45.555 -9.614 1.00 0.00 WAT1 ATOM 6165 H1 TIP3 1253 21.708 -44.732 -9.444 1.00 0.00 WAT1 ATOM 6166 H2 TIP3 1253 21.701 -46.029 -10.276 1.00 0.00 WAT1 ATOM 6167 OH2 TIP3 1254 17.284 -38.082 -6.488 1.00 0.00 WAT1 ATOM 6168 H1 TIP3 1254 16.328 -38.112 -6.255 1.00 0.00 WAT1 ATOM 6169 H2 TIP3 1254 17.729 -38.504 -5.712 1.00 0.00 WAT1 ATOM 6170 OH2 TIP3 1255 20.143 -41.780 -9.477 1.00 0.00 WAT1 ATOM 6171 H1 TIP3 1255 19.383 -41.548 -8.918 1.00 0.00 WAT1 ATOM 6172 H2 TIP3 1255 19.745 -41.957 -10.358 1.00 0.00 WAT1 ATOM 6173 OH2 TIP3 1256 25.944 -33.620 4.951 1.00 0.00 WAT1 ATOM 6174 H1 TIP3 1256 25.745 -33.587 5.895 1.00 0.00 WAT1 ATOM 6175 H2 TIP3 1256 25.349 -34.328 4.606 1.00 0.00 WAT1 ATOM 6176 OH2 TIP3 1257 18.935 -36.723 -11.303 1.00 0.00 WAT1 ATOM 6177 H1 TIP3 1257 19.505 -35.976 -11.032 1.00 0.00 WAT1 ATOM 6178 H2 TIP3 1257 18.937 -37.319 -10.520 1.00 0.00 WAT1 ATOM 6179 OH2 TIP3 1258 22.161 -37.570 5.030 1.00 0.00 WAT1 ATOM 6180 H1 TIP3 1258 22.830 -38.238 5.223 1.00 0.00 WAT1 ATOM 6181 H2 TIP3 1258 21.386 -38.093 4.701 1.00 0.00 WAT1 ATOM 6182 OH2 TIP3 1259 23.647 -42.208 -1.837 1.00 0.00 WAT1 ATOM 6183 H1 TIP3 1259 22.881 -41.605 -1.830 1.00 0.00 WAT1 ATOM 6184 H2 TIP3 1259 23.250 -43.100 -1.846 1.00 0.00 WAT1 ATOM 6185 OH2 TIP3 1260 19.945 -43.607 3.943 1.00 0.00 WAT1 ATOM 6186 H1 TIP3 1260 19.531 -44.077 3.185 1.00 0.00 WAT1 ATOM 6187 H2 TIP3 1260 20.060 -42.693 3.618 1.00 0.00 WAT1 ATOM 6188 OH2 TIP3 1261 21.660 -45.389 0.831 1.00 0.00 WAT1 ATOM 6189 H1 TIP3 1261 21.902 -45.939 1.598 1.00 0.00 WAT1 ATOM 6190 H2 TIP3 1261 22.274 -45.674 0.132 1.00 0.00 WAT1 ATOM 6191 OH2 TIP3 1262 26.381 -45.066 -1.468 1.00 0.00 WAT1 ATOM 6192 H1 TIP3 1262 26.109 -44.448 -2.187 1.00 0.00 WAT1 ATOM 6193 H2 TIP3 1262 27.296 -44.838 -1.299 1.00 0.00 WAT1 ATOM 6194 OH2 TIP3 1263 20.844 -45.692 5.403 1.00 0.00 WAT1 ATOM 6195 H1 TIP3 1263 20.148 -45.872 6.064 1.00 0.00 WAT1 ATOM 6196 H2 TIP3 1263 20.540 -44.865 4.958 1.00 0.00 WAT1 ATOM 6197 OH2 TIP3 1264 21.894 -49.237 3.336 1.00 0.00 WAT1 ATOM 6198 H1 TIP3 1264 22.110 -48.278 3.393 1.00 0.00 WAT1 ATOM 6199 H2 TIP3 1264 22.724 -49.650 3.011 1.00 0.00 WAT1 ATOM 6200 OH2 TIP3 1265 18.764 -46.518 7.101 1.00 0.00 WAT1 ATOM 6201 H1 TIP3 1265 18.105 -46.911 6.487 1.00 0.00 WAT1 ATOM 6202 H2 TIP3 1265 19.350 -47.268 7.332 1.00 0.00 WAT1 ATOM 6203 OH2 TIP3 1266 20.709 -50.628 5.388 1.00 0.00 WAT1 ATOM 6204 H1 TIP3 1266 21.099 -50.164 4.613 1.00 0.00 WAT1 ATOM 6205 H2 TIP3 1266 19.864 -50.991 5.050 1.00 0.00 WAT1 ATOM 6206 OH2 TIP3 1267 14.599 -37.886 -6.089 1.00 0.00 WAT1 ATOM 6207 H1 TIP3 1267 13.897 -38.487 -6.372 1.00 0.00 WAT1 ATOM 6208 H2 TIP3 1267 14.159 -37.290 -5.441 1.00 0.00 WAT1 ATOM 6209 OH2 TIP3 1268 25.565 -29.810 6.536 1.00 0.00 WAT1 ATOM 6210 H1 TIP3 1268 26.075 -29.705 5.707 1.00 0.00 WAT1 ATOM 6211 H2 TIP3 1268 25.754 -28.993 7.039 1.00 0.00 WAT1 ATOM 6212 OH2 TIP3 1269 25.325 -31.588 3.100 1.00 0.00 WAT1 ATOM 6213 H1 TIP3 1269 25.813 -30.861 3.534 1.00 0.00 WAT1 ATOM 6214 H2 TIP3 1269 25.426 -32.340 3.713 1.00 0.00 WAT1 ATOM 6215 OH2 TIP3 1270 22.747 -31.083 0.008 1.00 0.00 WAT1 ATOM 6216 H1 TIP3 1270 22.821 -30.200 -0.406 1.00 0.00 WAT1 ATOM 6217 H2 TIP3 1270 23.675 -31.410 0.041 1.00 0.00 WAT1 ATOM 6218 OH2 TIP3 1271 21.937 -31.734 2.537 1.00 0.00 WAT1 ATOM 6219 H1 TIP3 1271 22.231 -31.504 1.628 1.00 0.00 WAT1 ATOM 6220 H2 TIP3 1271 22.185 -30.953 3.072 1.00 0.00 WAT1 ATOM 6221 OH2 TIP3 1272 16.310 -44.067 -8.905 1.00 0.00 WAT1 ATOM 6222 H1 TIP3 1272 17.168 -44.471 -9.166 1.00 0.00 WAT1 ATOM 6223 H2 TIP3 1272 16.194 -44.334 -7.971 1.00 0.00 WAT1 ATOM 6224 OH2 TIP3 1273 19.806 -49.885 -2.185 1.00 0.00 WAT1 ATOM 6225 H1 TIP3 1273 19.446 -49.192 -2.762 1.00 0.00 WAT1 ATOM 6226 H2 TIP3 1273 19.380 -49.717 -1.316 1.00 0.00 WAT1 ATOM 6227 OH2 TIP3 1274 18.411 -45.592 -9.829 1.00 0.00 WAT1 ATOM 6228 H1 TIP3 1274 18.314 -46.383 -9.263 1.00 0.00 WAT1 ATOM 6229 H2 TIP3 1274 19.383 -45.454 -9.880 1.00 0.00 WAT1 ATOM 6230 OH2 TIP3 1275 21.527 -48.793 -4.323 1.00 0.00 WAT1 ATOM 6231 H1 TIP3 1275 21.887 -48.658 -3.414 1.00 0.00 WAT1 ATOM 6232 H2 TIP3 1275 20.626 -48.422 -4.279 1.00 0.00 WAT1 ATOM 6233 OH2 TIP3 1276 17.073 -47.862 5.357 1.00 0.00 WAT1 ATOM 6234 H1 TIP3 1276 17.430 -48.236 4.515 1.00 0.00 WAT1 ATOM 6235 H2 TIP3 1276 16.254 -47.430 5.093 1.00 0.00 WAT1 ATOM 6236 OH2 TIP3 1277 20.703 -48.476 7.075 1.00 0.00 WAT1 ATOM 6237 H1 TIP3 1277 21.330 -47.898 6.618 1.00 0.00 WAT1 ATOM 6238 H2 TIP3 1277 20.692 -49.296 6.532 1.00 0.00 WAT1 ATOM 6239 OH2 TIP3 1278 17.496 -40.103 16.738 1.00 0.00 WAT1 ATOM 6240 H1 TIP3 1278 17.073 -39.951 17.598 1.00 0.00 WAT1 ATOM 6241 H2 TIP3 1278 17.691 -41.054 16.738 1.00 0.00 WAT1 ATOM 6242 OH2 TIP3 1279 18.369 -35.373 17.976 1.00 0.00 WAT1 ATOM 6243 H1 TIP3 1279 18.232 -36.141 18.566 1.00 0.00 WAT1 ATOM 6244 H2 TIP3 1279 18.285 -34.608 18.556 1.00 0.00 WAT1 ATOM 6245 OH2 TIP3 1280 22.028 -44.229 13.742 1.00 0.00 WAT1 ATOM 6246 H1 TIP3 1280 22.240 -43.650 14.515 1.00 0.00 WAT1 ATOM 6247 H2 TIP3 1280 21.441 -44.908 14.110 1.00 0.00 WAT1 ATOM 6248 OH2 TIP3 1281 19.876 -40.318 14.439 1.00 0.00 WAT1 ATOM 6249 H1 TIP3 1281 19.237 -40.912 13.985 1.00 0.00 WAT1 ATOM 6250 H2 TIP3 1281 19.990 -40.721 15.319 1.00 0.00 WAT1 ATOM 6251 OH2 TIP3 1282 20.304 -44.605 17.176 1.00 0.00 WAT1 ATOM 6252 H1 TIP3 1282 19.658 -44.449 16.453 1.00 0.00 WAT1 ATOM 6253 H2 TIP3 1282 20.649 -43.729 17.376 1.00 0.00 WAT1 ATOM 6254 OH2 TIP3 1283 22.938 -38.181 18.543 1.00 0.00 WAT1 ATOM 6255 H1 TIP3 1283 22.873 -37.609 19.334 1.00 0.00 WAT1 ATOM 6256 H2 TIP3 1283 23.737 -37.888 18.102 1.00 0.00 WAT1 ATOM 6257 OH2 TIP3 1284 22.813 -36.356 20.648 1.00 0.00 WAT1 ATOM 6258 H1 TIP3 1284 22.375 -35.472 20.549 1.00 0.00 WAT1 ATOM 6259 H2 TIP3 1284 22.616 -36.614 21.554 1.00 0.00 WAT1 ATOM 6260 OH2 TIP3 1285 21.194 -38.497 12.779 1.00 0.00 WAT1 ATOM 6261 H1 TIP3 1285 20.913 -38.969 13.591 1.00 0.00 WAT1 ATOM 6262 H2 TIP3 1285 20.722 -38.968 12.060 1.00 0.00 WAT1 ATOM 6263 OH2 TIP3 1286 24.607 -34.782 15.958 1.00 0.00 WAT1 ATOM 6264 H1 TIP3 1286 23.717 -34.916 15.576 1.00 0.00 WAT1 ATOM 6265 H2 TIP3 1286 24.520 -35.083 16.885 1.00 0.00 WAT1 ATOM 6266 OH2 TIP3 1287 22.400 -42.384 15.728 1.00 0.00 WAT1 ATOM 6267 H1 TIP3 1287 21.598 -41.993 16.136 1.00 0.00 WAT1 ATOM 6268 H2 TIP3 1287 23.126 -42.024 16.245 1.00 0.00 WAT1 ATOM 6269 OH2 TIP3 1288 16.183 -39.848 19.434 1.00 0.00 WAT1 ATOM 6270 H1 TIP3 1288 15.566 -39.293 19.958 1.00 0.00 WAT1 ATOM 6271 H2 TIP3 1288 15.610 -40.549 19.051 1.00 0.00 WAT1 ATOM 6272 OH2 TIP3 1289 29.671 -36.118 11.756 1.00 0.00 WAT1 ATOM 6273 H1 TIP3 1289 30.437 -35.548 11.837 1.00 0.00 WAT1 ATOM 6274 H2 TIP3 1289 29.902 -36.901 12.257 1.00 0.00 WAT1 ATOM 6275 OH2 TIP3 1290 19.432 -32.938 21.576 1.00 0.00 WAT1 ATOM 6276 H1 TIP3 1290 18.607 -32.866 21.045 1.00 0.00 WAT1 ATOM 6277 H2 TIP3 1290 19.173 -33.497 22.335 1.00 0.00 WAT1 ATOM 6278 OH2 TIP3 1291 19.147 -36.643 12.867 1.00 0.00 WAT1 ATOM 6279 H1 TIP3 1291 20.005 -37.091 12.753 1.00 0.00 WAT1 ATOM 6280 H2 TIP3 1291 19.382 -35.765 13.253 1.00 0.00 WAT1 ATOM 6281 OH2 TIP3 1292 13.512 -37.121 23.319 1.00 0.00 WAT1 ATOM 6282 H1 TIP3 1292 12.531 -37.249 23.332 1.00 0.00 WAT1 ATOM 6283 H2 TIP3 1292 13.798 -37.412 24.199 1.00 0.00 WAT1 ATOM 6284 OH2 TIP3 1293 22.247 -29.266 11.724 1.00 0.00 WAT1 ATOM 6285 H1 TIP3 1293 23.174 -29.560 11.856 1.00 0.00 WAT1 ATOM 6286 H2 TIP3 1293 21.714 -30.044 11.966 1.00 0.00 WAT1 ATOM 6287 OH2 TIP3 1294 18.146 -37.810 19.263 1.00 0.00 WAT1 ATOM 6288 H1 TIP3 1294 18.947 -38.160 18.820 1.00 0.00 WAT1 ATOM 6289 H2 TIP3 1294 17.562 -38.589 19.352 1.00 0.00 WAT1 ATOM 6290 OH2 TIP3 1295 18.234 -49.535 18.091 1.00 0.00 WAT1 ATOM 6291 H1 TIP3 1295 18.448 -48.578 17.976 1.00 0.00 WAT1 ATOM 6292 H2 TIP3 1295 19.094 -49.970 18.078 1.00 0.00 WAT1 ATOM 6293 OH2 TIP3 1296 20.178 -41.383 17.005 1.00 0.00 WAT1 ATOM 6294 H1 TIP3 1296 19.453 -41.773 17.547 1.00 0.00 WAT1 ATOM 6295 H2 TIP3 1296 20.234 -40.449 17.316 1.00 0.00 WAT1 ATOM 6296 OH2 TIP3 1297 16.855 -47.551 10.684 1.00 0.00 WAT1 ATOM 6297 H1 TIP3 1297 17.557 -46.902 10.467 1.00 0.00 WAT1 ATOM 6298 H2 TIP3 1297 16.376 -47.145 11.426 1.00 0.00 WAT1 ATOM 6299 OH2 TIP3 1298 18.075 -42.515 18.353 1.00 0.00 WAT1 ATOM 6300 H1 TIP3 1298 17.899 -42.431 19.315 1.00 0.00 WAT1 ATOM 6301 H2 TIP3 1298 17.604 -43.318 18.097 1.00 0.00 WAT1 ATOM 6302 OH2 TIP3 1299 22.477 -45.418 11.237 1.00 0.00 WAT1 ATOM 6303 H1 TIP3 1299 22.389 -45.039 12.136 1.00 0.00 WAT1 ATOM 6304 H2 TIP3 1299 23.007 -44.774 10.760 1.00 0.00 WAT1 ATOM 6305 OH2 TIP3 1300 21.345 -42.107 12.160 1.00 0.00 WAT1 ATOM 6306 H1 TIP3 1300 21.680 -41.348 12.656 1.00 0.00 WAT1 ATOM 6307 H2 TIP3 1300 21.620 -42.884 12.696 1.00 0.00 WAT1 ATOM 6308 OH2 TIP3 1301 19.087 -43.564 11.544 1.00 0.00 WAT1 ATOM 6309 H1 TIP3 1301 18.520 -43.076 12.193 1.00 0.00 WAT1 ATOM 6310 H2 TIP3 1301 19.936 -43.080 11.560 1.00 0.00 WAT1 ATOM 6311 OH2 TIP3 1302 20.561 -38.689 17.789 1.00 0.00 WAT1 ATOM 6312 H1 TIP3 1302 20.490 -37.939 17.164 1.00 0.00 WAT1 ATOM 6313 H2 TIP3 1302 21.496 -38.622 18.130 1.00 0.00 WAT1 ATOM 6314 OH2 TIP3 1303 18.496 -44.407 15.137 1.00 0.00 WAT1 ATOM 6315 H1 TIP3 1303 18.253 -43.584 14.639 1.00 0.00 WAT1 ATOM 6316 H2 TIP3 1303 18.760 -45.037 14.436 1.00 0.00 WAT1 ATOM 6317 OH2 TIP3 1304 19.980 -38.309 9.207 1.00 0.00 WAT1 ATOM 6318 H1 TIP3 1304 19.419 -37.624 9.586 1.00 0.00 WAT1 ATOM 6319 H2 TIP3 1304 19.860 -39.076 9.809 1.00 0.00 WAT1 ATOM 6320 OH2 TIP3 1305 17.994 -40.853 23.330 1.00 0.00 WAT1 ATOM 6321 H1 TIP3 1305 17.391 -41.065 24.075 1.00 0.00 WAT1 ATOM 6322 H2 TIP3 1305 18.554 -40.151 23.672 1.00 0.00 WAT1 ATOM 6323 OH2 TIP3 1306 22.767 -36.259 12.109 1.00 0.00 WAT1 ATOM 6324 H1 TIP3 1306 22.582 -35.714 12.904 1.00 0.00 WAT1 ATOM 6325 H2 TIP3 1306 22.319 -37.111 12.294 1.00 0.00 WAT1 ATOM 6326 OH2 TIP3 1307 24.459 -35.220 18.703 1.00 0.00 WAT1 ATOM 6327 H1 TIP3 1307 24.564 -34.339 19.078 1.00 0.00 WAT1 ATOM 6328 H2 TIP3 1307 23.871 -35.678 19.333 1.00 0.00 WAT1 ATOM 6329 OH2 TIP3 1308 16.583 -45.886 16.604 1.00 0.00 WAT1 ATOM 6330 H1 TIP3 1308 17.070 -45.288 16.007 1.00 0.00 WAT1 ATOM 6331 H2 TIP3 1308 17.285 -46.398 17.047 1.00 0.00 WAT1 ATOM 6332 OH2 TIP3 1309 16.860 -35.988 21.039 1.00 0.00 WAT1 ATOM 6333 H1 TIP3 1309 16.016 -36.489 21.068 1.00 0.00 WAT1 ATOM 6334 H2 TIP3 1309 17.468 -36.584 20.560 1.00 0.00 WAT1 ATOM 6335 OH2 TIP3 1310 23.004 -35.221 9.464 1.00 0.00 WAT1 ATOM 6336 H1 TIP3 1310 22.488 -35.762 8.823 1.00 0.00 WAT1 ATOM 6337 H2 TIP3 1310 22.841 -35.652 10.325 1.00 0.00 WAT1 ATOM 6338 OH2 TIP3 1311 24.978 -34.566 11.853 1.00 0.00 WAT1 ATOM 6339 H1 TIP3 1311 25.645 -35.020 11.324 1.00 0.00 WAT1 ATOM 6340 H2 TIP3 1311 24.239 -35.211 11.913 1.00 0.00 WAT1 ATOM 6341 OH2 TIP3 1312 25.203 -32.940 14.073 1.00 0.00 WAT1 ATOM 6342 H1 TIP3 1312 25.134 -33.674 14.728 1.00 0.00 WAT1 ATOM 6343 H2 TIP3 1312 25.243 -33.401 13.210 1.00 0.00 WAT1 ATOM 6344 OH2 TIP3 1313 20.050 -36.438 16.102 1.00 0.00 WAT1 ATOM 6345 H1 TIP3 1313 20.120 -35.770 15.389 1.00 0.00 WAT1 ATOM 6346 H2 TIP3 1313 19.510 -35.992 16.788 1.00 0.00 WAT1 ATOM 6347 OH2 TIP3 1314 20.647 -47.440 10.950 1.00 0.00 WAT1 ATOM 6348 H1 TIP3 1314 19.988 -46.915 10.446 1.00 0.00 WAT1 ATOM 6349 H2 TIP3 1314 21.443 -46.863 10.977 1.00 0.00 WAT1 ATOM 6350 OH2 TIP3 1315 18.779 -45.758 9.889 1.00 0.00 WAT1 ATOM 6351 H1 TIP3 1315 18.803 -44.840 10.241 1.00 0.00 WAT1 ATOM 6352 H2 TIP3 1315 18.702 -45.645 8.920 1.00 0.00 WAT1 ATOM 6353 OH2 TIP3 1316 19.041 -47.020 17.455 1.00 0.00 WAT1 ATOM 6354 H1 TIP3 1316 19.261 -47.337 16.542 1.00 0.00 WAT1 ATOM 6355 H2 TIP3 1316 19.576 -46.203 17.557 1.00 0.00 WAT1 ATOM 6356 OH2 TIP3 1317 16.910 -33.227 20.582 1.00 0.00 WAT1 ATOM 6357 H1 TIP3 1317 16.260 -32.818 21.165 1.00 0.00 WAT1 ATOM 6358 H2 TIP3 1317 16.777 -34.188 20.710 1.00 0.00 WAT1 ATOM 6359 OH2 TIP3 1318 23.660 -32.798 8.507 1.00 0.00 WAT1 ATOM 6360 H1 TIP3 1318 23.772 -32.415 9.400 1.00 0.00 WAT1 ATOM 6361 H2 TIP3 1318 23.457 -33.748 8.682 1.00 0.00 WAT1 ATOM 6362 OH2 TIP3 1319 14.019 -38.220 25.830 1.00 0.00 WAT1 ATOM 6363 H1 TIP3 1319 14.446 -39.082 25.676 1.00 0.00 WAT1 ATOM 6364 H2 TIP3 1319 13.055 -38.425 25.791 1.00 0.00 WAT1 ATOM 6365 OH2 TIP3 1320 21.645 -36.743 7.706 1.00 0.00 WAT1 ATOM 6366 H1 TIP3 1320 21.728 -37.068 6.796 1.00 0.00 WAT1 ATOM 6367 H2 TIP3 1320 21.071 -37.407 8.151 1.00 0.00 WAT1 ATOM 6368 OH2 TIP3 1321 16.244 -41.587 25.308 1.00 0.00 WAT1 ATOM 6369 H1 TIP3 1321 16.286 -42.054 26.150 1.00 0.00 WAT1 ATOM 6370 H2 TIP3 1321 15.286 -41.363 25.206 1.00 0.00 WAT1 ATOM 6371 OH2 TIP3 1322 19.587 -40.110 11.243 1.00 0.00 WAT1 ATOM 6372 H1 TIP3 1322 18.714 -40.222 11.703 1.00 0.00 WAT1 ATOM 6373 H2 TIP3 1322 20.045 -40.956 11.392 1.00 0.00 WAT1 ATOM 6374 OH2 TIP3 1323 13.880 -42.581 20.923 1.00 0.00 WAT1 ATOM 6375 H1 TIP3 1323 13.407 -43.171 20.306 1.00 0.00 WAT1 ATOM 6376 H2 TIP3 1323 14.762 -42.966 20.992 1.00 0.00 WAT1 ATOM 6377 OH2 TIP3 1324 16.140 -43.408 23.062 1.00 0.00 WAT1 ATOM 6378 H1 TIP3 1324 16.304 -42.764 23.772 1.00 0.00 WAT1 ATOM 6379 H2 TIP3 1324 16.644 -43.061 22.304 1.00 0.00 WAT1 ATOM 6380 OH2 TIP3 1325 17.851 -34.574 23.297 1.00 0.00 WAT1 ATOM 6381 H1 TIP3 1325 17.559 -35.135 22.553 1.00 0.00 WAT1 ATOM 6382 H2 TIP3 1325 17.388 -34.944 24.070 1.00 0.00 WAT1 ATOM 6383 OH2 TIP3 1326 21.787 -33.893 20.377 1.00 0.00 WAT1 ATOM 6384 H1 TIP3 1326 20.977 -33.487 20.746 1.00 0.00 WAT1 ATOM 6385 H2 TIP3 1326 22.186 -33.182 19.831 1.00 0.00 WAT1 ATOM 6386 OH2 TIP3 1327 16.049 -29.547 19.994 1.00 0.00 WAT1 ATOM 6387 H1 TIP3 1327 15.604 -30.207 20.556 1.00 0.00 WAT1 ATOM 6388 H2 TIP3 1327 15.912 -28.703 20.475 1.00 0.00 WAT1 ATOM 6389 OH2 TIP3 1328 18.667 -29.490 19.093 1.00 0.00 WAT1 ATOM 6390 H1 TIP3 1328 17.734 -29.660 19.344 1.00 0.00 WAT1 ATOM 6391 H2 TIP3 1328 18.829 -28.567 19.388 1.00 0.00 WAT1 ATOM 6392 OH2 TIP3 1329 23.047 -31.935 18.803 1.00 0.00 WAT1 ATOM 6393 H1 TIP3 1329 22.832 -31.001 18.987 1.00 0.00 WAT1 ATOM 6394 H2 TIP3 1329 23.219 -31.955 17.846 1.00 0.00 WAT1 ATOM 6395 OH2 TIP3 1330 24.386 -31.608 16.303 1.00 0.00 WAT1 ATOM 6396 H1 TIP3 1330 24.560 -32.020 15.424 1.00 0.00 WAT1 ATOM 6397 H2 TIP3 1330 25.067 -31.985 16.875 1.00 0.00 WAT1 ATOM 6398 OH2 TIP3 1331 22.332 -51.675 16.363 1.00 0.00 WAT1 ATOM 6399 H1 TIP3 1331 22.952 -51.989 15.702 1.00 0.00 WAT1 ATOM 6400 H2 TIP3 1331 22.869 -51.531 17.145 1.00 0.00 WAT1 ATOM 6401 OH2 TIP3 1332 19.528 -45.868 13.005 1.00 0.00 WAT1 ATOM 6402 H1 TIP3 1332 19.894 -46.521 12.374 1.00 0.00 WAT1 ATOM 6403 H2 TIP3 1332 19.319 -45.089 12.445 1.00 0.00 WAT1 ATOM 6404 OH2 TIP3 1333 20.666 -49.819 9.490 1.00 0.00 WAT1 ATOM 6405 H1 TIP3 1333 20.665 -49.109 10.164 1.00 0.00 WAT1 ATOM 6406 H2 TIP3 1333 20.663 -49.336 8.640 1.00 0.00 WAT1 ATOM 6407 OH2 TIP3 1334 24.863 -29.958 12.348 1.00 0.00 WAT1 ATOM 6408 H1 TIP3 1334 25.314 -30.362 13.101 1.00 0.00 WAT1 ATOM 6409 H2 TIP3 1334 24.688 -30.712 11.744 1.00 0.00 WAT1 ATOM 6410 OH2 TIP3 1335 16.239 -35.878 25.459 1.00 0.00 WAT1 ATOM 6411 H1 TIP3 1335 15.549 -36.554 25.369 1.00 0.00 WAT1 ATOM 6412 H2 TIP3 1335 16.473 -35.900 26.413 1.00 0.00 WAT1 ATOM 6413 OH2 TIP3 1336 16.568 -35.910 28.211 1.00 0.00 WAT1 ATOM 6414 H1 TIP3 1336 17.350 -35.994 28.766 1.00 0.00 WAT1 ATOM 6415 H2 TIP3 1336 16.189 -35.029 28.461 1.00 0.00 WAT1 ATOM 6416 OH2 TIP3 1337 19.749 -28.256 22.409 1.00 0.00 WAT1 ATOM 6417 H1 TIP3 1337 18.941 -28.439 22.931 1.00 0.00 WAT1 ATOM 6418 H2 TIP3 1337 20.065 -29.138 22.137 1.00 0.00 WAT1 ATOM 6419 OH2 TIP3 1338 19.016 -27.798 -19.690 1.00 0.00 WAT1 ATOM 6420 H1 TIP3 1338 19.916 -28.126 -19.768 1.00 0.00 WAT1 ATOM 6421 H2 TIP3 1338 19.008 -27.325 -18.823 1.00 0.00 WAT1 ATOM 6422 OH2 TIP3 1339 16.159 -17.902 -17.308 1.00 0.00 WAT1 ATOM 6423 H1 TIP3 1339 16.987 -17.436 -17.440 1.00 0.00 WAT1 ATOM 6424 H2 TIP3 1339 16.428 -18.812 -17.063 1.00 0.00 WAT1 ATOM 6425 OH2 TIP3 1340 19.143 -26.647 -17.254 1.00 0.00 WAT1 ATOM 6426 H1 TIP3 1340 18.276 -26.763 -16.796 1.00 0.00 WAT1 ATOM 6427 H2 TIP3 1340 19.653 -26.101 -16.654 1.00 0.00 WAT1 ATOM 6428 OH2 TIP3 1341 16.366 -20.581 -16.676 1.00 0.00 WAT1 ATOM 6429 H1 TIP3 1341 16.916 -21.273 -17.056 1.00 0.00 WAT1 ATOM 6430 H2 TIP3 1341 16.184 -20.894 -15.760 1.00 0.00 WAT1 ATOM 6431 OH2 TIP3 1342 16.827 -27.000 -15.915 1.00 0.00 WAT1 ATOM 6432 H1 TIP3 1342 16.721 -27.957 -15.694 1.00 0.00 WAT1 ATOM 6433 H2 TIP3 1342 16.128 -26.567 -15.418 1.00 0.00 WAT1 ATOM 6434 OH2 TIP3 1343 15.994 -21.700 -14.210 1.00 0.00 WAT1 ATOM 6435 H1 TIP3 1343 16.923 -21.665 -13.877 1.00 0.00 WAT1 ATOM 6436 H2 TIP3 1343 15.454 -21.512 -13.426 1.00 0.00 WAT1 ATOM 6437 OH2 TIP3 1344 18.572 -21.444 -13.372 1.00 0.00 WAT1 ATOM 6438 H1 TIP3 1344 19.031 -20.604 -13.307 1.00 0.00 WAT1 ATOM 6439 H2 TIP3 1344 19.232 -22.103 -13.062 1.00 0.00 WAT1 ATOM 6440 OH2 TIP3 1345 16.953 -27.559 -21.440 1.00 0.00 WAT1 ATOM 6441 H1 TIP3 1345 17.337 -27.060 -22.165 1.00 0.00 WAT1 ATOM 6442 H2 TIP3 1345 17.684 -27.632 -20.784 1.00 0.00 WAT1 ATOM 6443 OH2 TIP3 1346 12.865 -24.601 -17.471 1.00 0.00 WAT1 ATOM 6444 H1 TIP3 1346 13.583 -25.102 -17.871 1.00 0.00 WAT1 ATOM 6445 H2 TIP3 1346 13.270 -24.205 -16.665 1.00 0.00 WAT1 ATOM 6446 OH2 TIP3 1347 16.256 -30.097 -18.587 1.00 0.00 WAT1 ATOM 6447 H1 TIP3 1347 15.584 -29.729 -19.196 1.00 0.00 WAT1 ATOM 6448 H2 TIP3 1347 17.010 -29.499 -18.679 1.00 0.00 WAT1 ATOM 6449 OH2 TIP3 1348 16.361 -29.585 -15.291 1.00 0.00 WAT1 ATOM 6450 H1 TIP3 1348 16.211 -30.147 -16.061 1.00 0.00 WAT1 ATOM 6451 H2 TIP3 1348 16.436 -30.216 -14.541 1.00 0.00 WAT1 ATOM 6452 OH2 TIP3 1349 16.703 -31.512 -13.309 1.00 0.00 WAT1 ATOM 6453 H1 TIP3 1349 17.002 -31.515 -12.374 1.00 0.00 WAT1 ATOM 6454 H2 TIP3 1349 17.292 -32.166 -13.747 1.00 0.00 WAT1 ATOM 6455 OH2 TIP3 1350 16.349 -23.142 -0.012 1.00 0.00 WAT1 ATOM 6456 H1 TIP3 1350 17.122 -23.070 0.581 1.00 0.00 WAT1 ATOM 6457 H2 TIP3 1350 16.738 -23.319 -0.893 1.00 0.00 WAT1 ATOM 6458 OH2 TIP3 1351 22.383 -21.402 0.518 1.00 0.00 WAT1 ATOM 6459 H1 TIP3 1351 22.981 -21.028 -0.138 1.00 0.00 WAT1 ATOM 6460 H2 TIP3 1351 21.797 -20.646 0.769 1.00 0.00 WAT1 ATOM 6461 OH2 TIP3 1352 16.085 -21.289 -3.249 1.00 0.00 WAT1 ATOM 6462 H1 TIP3 1352 16.819 -20.699 -3.457 1.00 0.00 WAT1 ATOM 6463 H2 TIP3 1352 16.517 -22.142 -3.025 1.00 0.00 WAT1 ATOM 6464 OH2 TIP3 1353 17.115 -23.823 -2.573 1.00 0.00 WAT1 ATOM 6465 H1 TIP3 1353 17.805 -24.491 -2.386 1.00 0.00 WAT1 ATOM 6466 H2 TIP3 1353 16.377 -24.348 -2.956 1.00 0.00 WAT1 ATOM 6467 OH2 TIP3 1354 18.351 -30.494 -3.973 1.00 0.00 WAT1 ATOM 6468 H1 TIP3 1354 17.398 -30.346 -4.142 1.00 0.00 WAT1 ATOM 6469 H2 TIP3 1354 18.673 -30.914 -4.791 1.00 0.00 WAT1 ATOM 6470 OH2 TIP3 1355 18.773 -26.020 -2.196 1.00 0.00 WAT1 ATOM 6471 H1 TIP3 1355 19.297 -26.511 -1.543 1.00 0.00 WAT1 ATOM 6472 H2 TIP3 1355 18.193 -26.703 -2.600 1.00 0.00 WAT1 ATOM 6473 OH2 TIP3 1356 19.505 -27.501 4.674 1.00 0.00 WAT1 ATOM 6474 H1 TIP3 1356 18.861 -28.219 4.795 1.00 0.00 WAT1 ATOM 6475 H2 TIP3 1356 19.985 -27.750 3.855 1.00 0.00 WAT1 ATOM 6476 OH2 TIP3 1357 20.955 -26.251 0.641 1.00 0.00 WAT1 ATOM 6477 H1 TIP3 1357 20.845 -25.279 0.680 1.00 0.00 WAT1 ATOM 6478 H2 TIP3 1357 21.892 -26.400 0.926 1.00 0.00 WAT1 ATOM 6479 OH2 TIP3 1358 20.743 -19.296 1.026 1.00 0.00 WAT1 ATOM 6480 H1 TIP3 1358 20.452 -18.624 1.670 1.00 0.00 WAT1 ATOM 6481 H2 TIP3 1358 20.107 -19.205 0.292 1.00 0.00 WAT1 ATOM 6482 OH2 TIP3 1359 19.389 -34.549 -4.538 1.00 0.00 WAT1 ATOM 6483 H1 TIP3 1359 20.130 -34.885 -4.016 1.00 0.00 WAT1 ATOM 6484 H2 TIP3 1359 18.807 -34.120 -3.874 1.00 0.00 WAT1 ATOM 6485 OH2 TIP3 1360 20.635 -23.529 0.176 1.00 0.00 WAT1 ATOM 6486 H1 TIP3 1360 20.630 -23.593 -0.803 1.00 0.00 WAT1 ATOM 6487 H2 TIP3 1360 21.259 -22.795 0.363 1.00 0.00 WAT1 ATOM 6488 OH2 TIP3 1361 23.352 -24.968 4.679 1.00 0.00 WAT1 ATOM 6489 H1 TIP3 1361 23.157 -24.451 3.867 1.00 0.00 WAT1 ATOM 6490 H2 TIP3 1361 24.001 -24.423 5.158 1.00 0.00 WAT1 ATOM 6491 OH2 TIP3 1362 18.312 -17.276 -3.038 1.00 0.00 WAT1 ATOM 6492 H1 TIP3 1362 18.545 -17.648 -2.162 1.00 0.00 WAT1 ATOM 6493 H2 TIP3 1362 19.158 -17.067 -3.440 1.00 0.00 WAT1 ATOM 6494 OH2 TIP3 1363 15.845 -18.339 -0.315 1.00 0.00 WAT1 ATOM 6495 H1 TIP3 1363 15.825 -18.237 0.658 1.00 0.00 WAT1 ATOM 6496 H2 TIP3 1363 15.145 -18.993 -0.503 1.00 0.00 WAT1 ATOM 6497 OH2 TIP3 1364 20.477 -28.449 2.299 1.00 0.00 WAT1 ATOM 6498 H1 TIP3 1364 20.628 -27.755 1.620 1.00 0.00 WAT1 ATOM 6499 H2 TIP3 1364 20.141 -29.205 1.795 1.00 0.00 WAT1 ATOM 6500 OH2 TIP3 1365 25.310 -31.805 0.412 1.00 0.00 WAT1 ATOM 6501 H1 TIP3 1365 25.250 -31.712 1.393 1.00 0.00 WAT1 ATOM 6502 H2 TIP3 1365 26.102 -32.329 0.275 1.00 0.00 WAT1 ATOM 6503 OH2 TIP3 1366 22.043 -26.338 -1.918 1.00 0.00 WAT1 ATOM 6504 H1 TIP3 1366 21.709 -26.336 -1.001 1.00 0.00 WAT1 ATOM 6505 H2 TIP3 1366 21.842 -25.446 -2.247 1.00 0.00 WAT1 ATOM 6506 OH2 TIP3 1367 26.663 -25.875 6.211 1.00 0.00 WAT1 ATOM 6507 H1 TIP3 1367 26.043 -25.136 6.331 1.00 0.00 WAT1 ATOM 6508 H2 TIP3 1367 26.429 -26.505 6.929 1.00 0.00 WAT1 ATOM 6509 OH2 TIP3 1368 18.561 -23.265 1.938 1.00 0.00 WAT1 ATOM 6510 H1 TIP3 1368 19.275 -23.429 1.284 1.00 0.00 WAT1 ATOM 6511 H2 TIP3 1368 19.020 -22.826 2.679 1.00 0.00 WAT1 ATOM 6512 OH2 TIP3 1369 12.454 -23.974 -7.437 1.00 0.00 WAT1 ATOM 6513 H1 TIP3 1369 13.227 -24.198 -6.895 1.00 0.00 WAT1 ATOM 6514 H2 TIP3 1369 12.829 -23.799 -8.329 1.00 0.00 WAT1 ATOM 6515 OH2 TIP3 1370 15.397 -25.783 -3.349 1.00 0.00 WAT1 ATOM 6516 H1 TIP3 1370 15.924 -26.578 -3.146 1.00 0.00 WAT1 ATOM 6517 H2 TIP3 1370 15.070 -25.943 -4.268 1.00 0.00 WAT1 ATOM 6518 OH2 TIP3 1371 17.138 -28.080 -3.205 1.00 0.00 WAT1 ATOM 6519 H1 TIP3 1371 17.898 -28.692 -3.231 1.00 0.00 WAT1 ATOM 6520 H2 TIP3 1371 16.408 -28.602 -3.595 1.00 0.00 WAT1 ATOM 6521 OH2 TIP3 1372 16.625 -20.558 9.513 1.00 0.00 WAT1 ATOM 6522 H1 TIP3 1372 17.345 -20.579 10.146 1.00 0.00 WAT1 ATOM 6523 H2 TIP3 1372 17.075 -20.615 8.638 1.00 0.00 WAT1 ATOM 6524 OH2 TIP3 1373 15.638 -30.167 -4.366 1.00 0.00 WAT1 ATOM 6525 H1 TIP3 1373 15.648 -31.110 -4.634 1.00 0.00 WAT1 ATOM 6526 H2 TIP3 1373 14.680 -29.953 -4.295 1.00 0.00 WAT1 ATOM 6527 OH2 TIP3 1374 23.323 -28.650 -1.202 1.00 0.00 WAT1 ATOM 6528 H1 TIP3 1374 23.996 -28.871 -1.854 1.00 0.00 WAT1 ATOM 6529 H2 TIP3 1374 22.843 -27.887 -1.601 1.00 0.00 WAT1 ATOM 6530 OH2 TIP3 1375 20.561 -23.991 -2.533 1.00 0.00 WAT1 ATOM 6531 H1 TIP3 1375 20.407 -23.558 -3.380 1.00 0.00 WAT1 ATOM 6532 H2 TIP3 1375 19.886 -24.704 -2.500 1.00 0.00 WAT1 ATOM 6533 OH2 TIP3 1376 25.355 -22.366 4.044 1.00 0.00 WAT1 ATOM 6534 H1 TIP3 1376 26.231 -21.976 3.962 1.00 0.00 WAT1 ATOM 6535 H2 TIP3 1376 25.327 -22.704 4.959 1.00 0.00 WAT1 ATOM 6536 OH2 TIP3 1377 15.203 -25.205 -8.288 1.00 0.00 WAT1 ATOM 6537 H1 TIP3 1377 16.053 -25.282 -8.732 1.00 0.00 WAT1 ATOM 6538 H2 TIP3 1377 14.691 -24.586 -8.855 1.00 0.00 WAT1 ATOM 6539 OH2 TIP3 1378 18.585 -18.316 -0.505 1.00 0.00 WAT1 ATOM 6540 H1 TIP3 1378 18.734 -17.821 0.329 1.00 0.00 WAT1 ATOM 6541 H2 TIP3 1378 17.613 -18.461 -0.525 1.00 0.00 WAT1 ATOM 6542 OH2 TIP3 1379 25.786 -27.784 2.385 1.00 0.00 WAT1 ATOM 6543 H1 TIP3 1379 26.550 -27.312 2.774 1.00 0.00 WAT1 ATOM 6544 H2 TIP3 1379 26.004 -28.723 2.503 1.00 0.00 WAT1 ATOM 6545 OH2 TIP3 1380 23.527 -26.997 1.033 1.00 0.00 WAT1 ATOM 6546 H1 TIP3 1380 24.345 -27.162 1.548 1.00 0.00 WAT1 ATOM 6547 H2 TIP3 1380 23.568 -27.651 0.309 1.00 0.00 WAT1 ATOM 6548 OH2 TIP3 1381 14.670 -26.383 -5.892 1.00 0.00 WAT1 ATOM 6549 H1 TIP3 1381 14.878 -25.913 -6.731 1.00 0.00 WAT1 ATOM 6550 H2 TIP3 1381 14.755 -27.314 -6.117 1.00 0.00 WAT1 ATOM 6551 OH2 TIP3 1382 16.397 -18.114 2.479 1.00 0.00 WAT1 ATOM 6552 H1 TIP3 1382 16.070 -19.045 2.535 1.00 0.00 WAT1 ATOM 6553 H2 TIP3 1382 15.765 -17.609 3.030 1.00 0.00 WAT1 ATOM 6554 OH2 TIP3 1383 20.604 -22.106 3.544 1.00 0.00 WAT1 ATOM 6555 H1 TIP3 1383 21.441 -22.562 3.299 1.00 0.00 WAT1 ATOM 6556 H2 TIP3 1383 20.735 -21.196 3.246 1.00 0.00 WAT1 ATOM 6557 OH2 TIP3 1384 24.062 -27.596 4.530 1.00 0.00 WAT1 ATOM 6558 H1 TIP3 1384 23.851 -26.644 4.598 1.00 0.00 WAT1 ATOM 6559 H2 TIP3 1384 24.714 -27.644 3.805 1.00 0.00 WAT1 ATOM 6560 OH2 TIP3 1385 21.616 -26.074 6.476 1.00 0.00 WAT1 ATOM 6561 H1 TIP3 1385 20.929 -26.583 6.011 1.00 0.00 WAT1 ATOM 6562 H2 TIP3 1385 22.214 -25.768 5.759 1.00 0.00 WAT1 ATOM 6563 OH2 TIP3 1386 22.271 -29.531 4.111 1.00 0.00 WAT1 ATOM 6564 H1 TIP3 1386 22.975 -28.863 4.298 1.00 0.00 WAT1 ATOM 6565 H2 TIP3 1386 21.672 -29.074 3.487 1.00 0.00 WAT1 ATOM 6566 OH2 TIP3 1387 23.050 -23.029 2.728 1.00 0.00 WAT1 ATOM 6567 H1 TIP3 1387 22.966 -22.569 1.869 1.00 0.00 WAT1 ATOM 6568 H2 TIP3 1387 23.934 -22.753 3.063 1.00 0.00 WAT1 ATOM 6569 OH2 TIP3 1388 25.897 -27.612 8.214 1.00 0.00 WAT1 ATOM 6570 H1 TIP3 1388 24.948 -27.371 8.344 1.00 0.00 WAT1 ATOM 6571 H2 TIP3 1388 26.166 -27.978 9.065 1.00 0.00 WAT1 ATOM 6572 OH2 TIP3 1389 27.863 -27.058 4.088 1.00 0.00 WAT1 ATOM 6573 H1 TIP3 1389 27.377 -26.646 4.844 1.00 0.00 WAT1 ATOM 6574 H2 TIP3 1389 28.726 -26.633 4.105 1.00 0.00 WAT1 ATOM 6575 OH2 TIP3 1390 26.990 -29.690 4.178 1.00 0.00 WAT1 ATOM 6576 H1 TIP3 1390 27.521 -28.867 4.165 1.00 0.00 WAT1 ATOM 6577 H2 TIP3 1390 27.659 -30.411 4.249 1.00 0.00 WAT1 ATOM 6578 OH2 TIP3 1391 13.718 -22.519 -0.319 1.00 0.00 WAT1 ATOM 6579 H1 TIP3 1391 13.364 -22.283 0.555 1.00 0.00 WAT1 ATOM 6580 H2 TIP3 1391 14.673 -22.707 -0.149 1.00 0.00 WAT1 ATOM 6581 OH2 TIP3 1392 13.369 -23.930 -2.779 1.00 0.00 WAT1 ATOM 6582 H1 TIP3 1392 14.076 -24.610 -2.813 1.00 0.00 WAT1 ATOM 6583 H2 TIP3 1392 13.452 -23.540 -1.884 1.00 0.00 WAT1 ATOM 6584 OH2 TIP3 1393 18.954 -17.351 2.041 1.00 0.00 WAT1 ATOM 6585 H1 TIP3 1393 18.062 -17.719 2.252 1.00 0.00 WAT1 ATOM 6586 H2 TIP3 1393 18.960 -16.489 2.470 1.00 0.00 WAT1 ATOM 6587 OH2 TIP3 1394 15.956 -32.892 -4.853 1.00 0.00 WAT1 ATOM 6588 H1 TIP3 1394 15.196 -33.482 -4.762 1.00 0.00 WAT1 ATOM 6589 H2 TIP3 1394 16.484 -33.052 -4.035 1.00 0.00 WAT1 ATOM 6590 OH2 TIP3 1395 17.823 -33.031 -2.879 1.00 0.00 WAT1 ATOM 6591 H1 TIP3 1395 18.102 -32.098 -2.983 1.00 0.00 WAT1 ATOM 6592 H2 TIP3 1395 18.279 -33.326 -2.064 1.00 0.00 WAT1 ATOM 6593 OH2 TIP3 1396 20.618 -23.017 -12.479 1.00 0.00 WAT1 ATOM 6594 H1 TIP3 1396 21.548 -22.960 -12.720 1.00 0.00 WAT1 ATOM 6595 H2 TIP3 1396 20.576 -23.756 -11.865 1.00 0.00 WAT1 ATOM 6596 OH2 TIP3 1397 28.216 -32.114 4.353 1.00 0.00 WAT1 ATOM 6597 H1 TIP3 1397 27.440 -32.662 4.601 1.00 0.00 WAT1 ATOM 6598 H2 TIP3 1397 28.896 -32.755 4.133 1.00 0.00 WAT1 ATOM 6599 OH2 TIP3 1398 19.770 -22.845 18.722 1.00 0.00 WAT1 ATOM 6600 H1 TIP3 1398 19.855 -23.681 18.221 1.00 0.00 WAT1 ATOM 6601 H2 TIP3 1398 20.559 -22.336 18.467 1.00 0.00 WAT1 ATOM 6602 OH2 TIP3 1399 16.188 -28.728 17.318 1.00 0.00 WAT1 ATOM 6603 H1 TIP3 1399 16.064 -29.159 18.187 1.00 0.00 WAT1 ATOM 6604 H2 TIP3 1399 15.834 -27.823 17.449 1.00 0.00 WAT1 ATOM 6605 OH2 TIP3 1400 15.965 -23.115 15.174 1.00 0.00 WAT1 ATOM 6606 H1 TIP3 1400 14.999 -23.196 15.309 1.00 0.00 WAT1 ATOM 6607 H2 TIP3 1400 16.213 -22.354 15.713 1.00 0.00 WAT1 ATOM 6608 OH2 TIP3 1401 22.410 -20.071 15.961 1.00 0.00 WAT1 ATOM 6609 H1 TIP3 1401 22.026 -19.258 16.296 1.00 0.00 WAT1 ATOM 6610 H2 TIP3 1401 22.337 -20.699 16.711 1.00 0.00 WAT1 ATOM 6611 OH2 TIP3 1402 13.371 -21.261 6.984 1.00 0.00 WAT1 ATOM 6612 H1 TIP3 1402 14.032 -21.965 6.855 1.00 0.00 WAT1 ATOM 6613 H2 TIP3 1402 13.529 -20.641 6.239 1.00 0.00 WAT1 ATOM 6614 OH2 TIP3 1403 22.727 -29.459 16.309 1.00 0.00 WAT1 ATOM 6615 H1 TIP3 1403 23.371 -30.189 16.178 1.00 0.00 WAT1 ATOM 6616 H2 TIP3 1403 22.745 -29.300 17.275 1.00 0.00 WAT1 ATOM 6617 OH2 TIP3 1404 23.306 -23.712 16.008 1.00 0.00 WAT1 ATOM 6618 H1 TIP3 1404 23.593 -23.075 15.313 1.00 0.00 WAT1 ATOM 6619 H2 TIP3 1404 22.681 -24.309 15.538 1.00 0.00 WAT1 ATOM 6620 OH2 TIP3 1405 22.334 -22.011 17.932 1.00 0.00 WAT1 ATOM 6621 H1 TIP3 1405 22.602 -22.663 17.245 1.00 0.00 WAT1 ATOM 6622 H2 TIP3 1405 22.761 -22.329 18.737 1.00 0.00 WAT1 ATOM 6623 OH2 TIP3 1406 23.749 -21.681 14.201 1.00 0.00 WAT1 ATOM 6624 H1 TIP3 1406 24.315 -21.107 13.680 1.00 0.00 WAT1 ATOM 6625 H2 TIP3 1406 23.223 -21.061 14.756 1.00 0.00 WAT1 ATOM 6626 OH2 TIP3 1407 22.392 -34.442 14.211 1.00 0.00 WAT1 ATOM 6627 H1 TIP3 1407 22.649 -33.545 13.939 1.00 0.00 WAT1 ATOM 6628 H2 TIP3 1407 21.403 -34.398 14.277 1.00 0.00 WAT1 ATOM 6629 OH2 TIP3 1408 23.319 -26.869 8.578 1.00 0.00 WAT1 ATOM 6630 H1 TIP3 1408 22.714 -26.694 7.829 1.00 0.00 WAT1 ATOM 6631 H2 TIP3 1408 23.024 -26.243 9.271 1.00 0.00 WAT1 ATOM 6632 OH2 TIP3 1409 20.160 -25.079 17.085 1.00 0.00 WAT1 ATOM 6633 H1 TIP3 1409 19.212 -25.131 16.809 1.00 0.00 WAT1 ATOM 6634 H2 TIP3 1409 20.656 -25.227 16.255 1.00 0.00 WAT1 ATOM 6635 OH2 TIP3 1410 21.650 -25.431 14.684 1.00 0.00 WAT1 ATOM 6636 H1 TIP3 1410 20.901 -25.417 14.050 1.00 0.00 WAT1 ATOM 6637 H2 TIP3 1410 22.323 -25.997 14.240 1.00 0.00 WAT1 ATOM 6638 OH2 TIP3 1411 17.541 -25.142 16.301 1.00 0.00 WAT1 ATOM 6639 H1 TIP3 1411 16.881 -25.649 16.811 1.00 0.00 WAT1 ATOM 6640 H2 TIP3 1411 17.019 -24.443 15.868 1.00 0.00 WAT1 ATOM 6641 OH2 TIP3 1412 23.130 -27.163 13.219 1.00 0.00 WAT1 ATOM 6642 H1 TIP3 1412 22.677 -27.807 12.635 1.00 0.00 WAT1 ATOM 6643 H2 TIP3 1412 24.062 -27.405 13.154 1.00 0.00 WAT1 ATOM 6644 OH2 TIP3 1413 19.760 -25.774 12.748 1.00 0.00 WAT1 ATOM 6645 H1 TIP3 1413 19.057 -25.132 13.003 1.00 0.00 WAT1 ATOM 6646 H2 TIP3 1413 19.753 -25.755 11.772 1.00 0.00 WAT1 ATOM 6647 OH2 TIP3 1414 19.616 -25.488 9.953 1.00 0.00 WAT1 ATOM 6648 H1 TIP3 1414 18.837 -25.253 9.418 1.00 0.00 WAT1 ATOM 6649 H2 TIP3 1414 19.666 -26.471 9.894 1.00 0.00 WAT1 ATOM 6650 OH2 TIP3 1415 24.007 -24.918 18.354 1.00 0.00 WAT1 ATOM 6651 H1 TIP3 1415 23.851 -24.520 17.469 1.00 0.00 WAT1 ATOM 6652 H2 TIP3 1415 24.962 -24.978 18.421 1.00 0.00 WAT1 ATOM 6653 OH2 TIP3 1416 17.892 -23.795 13.190 1.00 0.00 WAT1 ATOM 6654 H1 TIP3 1416 17.906 -22.992 12.662 1.00 0.00 WAT1 ATOM 6655 H2 TIP3 1416 17.187 -23.638 13.849 1.00 0.00 WAT1 ATOM 6656 OH2 TIP3 1417 15.649 -22.036 24.606 1.00 0.00 WAT1 ATOM 6657 H1 TIP3 1417 15.772 -21.080 24.594 1.00 0.00 WAT1 ATOM 6658 H2 TIP3 1417 15.019 -22.185 25.352 1.00 0.00 WAT1 ATOM 6659 OH2 TIP3 1418 15.551 -26.165 17.965 1.00 0.00 WAT1 ATOM 6660 H1 TIP3 1418 14.671 -25.935 18.322 1.00 0.00 WAT1 ATOM 6661 H2 TIP3 1418 16.162 -26.004 18.720 1.00 0.00 WAT1 ATOM 6662 OH2 TIP3 1419 18.180 -20.690 7.289 1.00 0.00 WAT1 ATOM 6663 H1 TIP3 1419 17.738 -20.223 6.550 1.00 0.00 WAT1 ATOM 6664 H2 TIP3 1419 19.084 -20.870 6.954 1.00 0.00 WAT1 ATOM 6665 OH2 TIP3 1420 22.268 -24.924 10.252 1.00 0.00 WAT1 ATOM 6666 H1 TIP3 1420 21.291 -25.029 10.178 1.00 0.00 WAT1 ATOM 6667 H2 TIP3 1420 22.423 -24.816 11.199 1.00 0.00 WAT1 ATOM 6668 OH2 TIP3 1421 22.239 -31.647 13.416 1.00 0.00 WAT1 ATOM 6669 H1 TIP3 1421 22.328 -31.114 14.216 1.00 0.00 WAT1 ATOM 6670 H2 TIP3 1421 21.288 -31.950 13.434 1.00 0.00 WAT1 ATOM 6671 OH2 TIP3 1422 20.118 -28.150 10.335 1.00 0.00 WAT1 ATOM 6672 H1 TIP3 1422 21.049 -28.296 10.591 1.00 0.00 WAT1 ATOM 6673 H2 TIP3 1422 19.652 -28.934 10.693 1.00 0.00 WAT1 ATOM 6674 OH2 TIP3 1423 20.722 -21.478 6.358 1.00 0.00 WAT1 ATOM 6675 H1 TIP3 1423 21.333 -22.065 6.827 1.00 0.00 WAT1 ATOM 6676 H2 TIP3 1423 20.748 -21.789 5.437 1.00 0.00 WAT1 ATOM 6677 OH2 TIP3 1424 22.563 -23.749 7.771 1.00 0.00 WAT1 ATOM 6678 H1 TIP3 1424 22.031 -24.449 7.343 1.00 0.00 WAT1 ATOM 6679 H2 TIP3 1424 22.504 -23.958 8.728 1.00 0.00 WAT1 ATOM 6680 OH2 TIP3 1425 25.016 -23.578 6.576 1.00 0.00 WAT1 ATOM 6681 H1 TIP3 1425 25.577 -23.179 7.252 1.00 0.00 WAT1 ATOM 6682 H2 TIP3 1425 24.120 -23.611 6.997 1.00 0.00 WAT1 ATOM 6683 OH2 TIP3 1426 19.406 -27.026 20.048 1.00 0.00 WAT1 ATOM 6684 H1 TIP3 1426 20.288 -26.770 19.703 1.00 0.00 WAT1 ATOM 6685 H2 TIP3 1426 19.588 -27.336 20.968 1.00 0.00 WAT1 ATOM 6686 OH2 TIP3 1427 21.791 -26.484 18.812 1.00 0.00 WAT1 ATOM 6687 H1 TIP3 1427 22.623 -25.959 18.827 1.00 0.00 WAT1 ATOM 6688 H2 TIP3 1427 21.213 -25.994 18.185 1.00 0.00 WAT1 ATOM 6689 OH2 TIP3 1428 22.168 -29.226 18.994 1.00 0.00 WAT1 ATOM 6690 H1 TIP3 1428 21.646 -29.563 19.755 1.00 0.00 WAT1 ATOM 6691 H2 TIP3 1428 22.086 -28.247 19.063 1.00 0.00 WAT1 ATOM 6692 OH2 TIP3 1429 17.090 -25.636 20.138 1.00 0.00 WAT1 ATOM 6693 H1 TIP3 1429 17.974 -26.063 20.051 1.00 0.00 WAT1 ATOM 6694 H2 TIP3 1429 17.288 -24.674 20.152 1.00 0.00 WAT1 ATOM 6695 OH2 TIP3 1430 16.468 -19.346 5.530 1.00 0.00 WAT1 ATOM 6696 H1 TIP3 1430 16.533 -18.402 5.350 1.00 0.00 WAT1 ATOM 6697 H2 TIP3 1430 15.520 -19.541 5.442 1.00 0.00 WAT1 ATOM 6698 OH2 TIP3 1431 17.478 -22.935 20.175 1.00 0.00 WAT1 ATOM 6699 H1 TIP3 1431 17.752 -22.816 21.113 1.00 0.00 WAT1 ATOM 6700 H2 TIP3 1431 18.304 -22.770 19.658 1.00 0.00 WAT1 ATOM 6701 OH2 TIP3 1432 17.757 -23.026 22.908 1.00 0.00 WAT1 ATOM 6702 H1 TIP3 1432 17.109 -22.665 23.542 1.00 0.00 WAT1 ATOM 6703 H2 TIP3 1432 18.235 -23.692 23.412 1.00 0.00 WAT1 ATOM 6704 OH2 TIP3 1433 23.817 -32.171 11.203 1.00 0.00 WAT1 ATOM 6705 H1 TIP3 1433 24.202 -33.064 11.348 1.00 0.00 WAT1 ATOM 6706 H2 TIP3 1433 23.181 -32.063 11.946 1.00 0.00 WAT1 ATOM 6707 OH2 TIP3 1434 19.351 -30.464 11.609 1.00 0.00 WAT1 ATOM 6708 H1 TIP3 1434 18.743 -30.926 11.016 1.00 0.00 WAT1 ATOM 6709 H2 TIP3 1434 19.478 -31.098 12.364 1.00 0.00 WAT1 ATOM 6710 OH2 TIP3 1435 15.712 -27.385 21.676 1.00 0.00 WAT1 ATOM 6711 H1 TIP3 1435 16.312 -27.781 22.349 1.00 0.00 WAT1 ATOM 6712 H2 TIP3 1435 16.266 -26.709 21.225 1.00 0.00 WAT1 ATOM 6713 OH2 TIP3 1436 20.490 -30.485 20.876 1.00 0.00 WAT1 ATOM 6714 H1 TIP3 1436 19.779 -30.286 20.229 1.00 0.00 WAT1 ATOM 6715 H2 TIP3 1436 20.247 -31.365 21.234 1.00 0.00 WAT1 ATOM 6716 OH2 TIP3 1437 14.989 -27.954 25.040 1.00 0.00 WAT1 ATOM 6717 H1 TIP3 1437 14.201 -28.237 24.535 1.00 0.00 WAT1 ATOM 6718 H2 TIP3 1437 14.691 -27.940 25.952 1.00 0.00 WAT1 END