REMARK FILENAME="/farm/data/gliu/projects/HR4527/cns/calc12_modhb/refinedPDB_" REMARK =============================================================== REMARK overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih REMARK energies: -120.359, 61.7537, 109.018, 40.6976, 417.423, -313.76, -438.013, 2.52033, 1.309846E-03 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 6.52151E-03,0.521487,1.22504,41.8154,4.389543E-03,1.599846E-02 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 35, 1 REMARK =============================================================== REMARK DATE:03-Sep-2010 14:08:32 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 12.938 -17.659 8.983 1.00 20.35 ATOM 2 CB MET 1 10.835 -17.954 9.301 1.00 51.44 ATOM 3 HB1 MET 1 9.911 -17.595 8.872 1.00 37.82 ATOM 4 HB2 MET 1 10.877 -17.657 10.339 1.00 50.10 ATOM 5 CG MET 1 10.824 -19.477 9.246 1.00 12.20 ATOM 6 HG1 MET 1 11.748 -19.848 9.668 1.00 37.82 ATOM 7 HG2 MET 1 10.752 -19.787 8.213 1.00 51.35 ATOM 8 SD MET 1 9.444 -20.193 10.159 1.00 74.42 ATOM 9 CE MET 1 8.042 -19.559 9.238 1.00 60.24 ATOM 10 HE1 MET 1 8.072 -18.480 9.231 1.00 10.34 ATOM 11 HE2 MET 1 7.127 -19.888 9.707 1.00 31.52 ATOM 12 HE3 MET 1 8.079 -19.926 8.222 1.00 61.01 ATOM 13 C MET 1 11.970 -17.722 7.069 1.00 20.40 ATOM 14 O MET 1 11.335 -17.060 6.245 1.00 22.24 ATOM 15 N MET 1 11.963 -15.828 8.709 1.00 41.11 ATOM 16 HT1 MET 1 11.062 -15.455 8.343 1.00 37.82 ATOM 17 HT2 MET 1 12.744 -15.382 8.190 1.00 37.82 ATOM 18 HT3 MET 1 12.046 -15.571 9.717 1.00 37.82 ATOM 19 CA MET 1 12.012 -17.308 8.550 1.00 14.14 ATOM 20 N GLY 2 12.658 -18.817 6.737 1.00 42.42 ATOM 21 HN GLY 2 13.227 -19.249 7.414 1.00 37.82 ATOM 22 CA GLY 2 12.592 -19.376 5.389 1.00 63.51 ATOM 23 HA1 GLY 2 11.701 -19.009 4.898 1.00 37.82 ATOM 24 HA2 GLY 2 12.517 -20.451 5.469 1.00 41.15 ATOM 25 C GLY 2 13.804 -19.039 4.523 1.00 60.10 ATOM 26 O GLY 2 14.783 -19.787 4.495 1.00 71.31 ATOM 27 N HIS 3 13.737 -17.914 3.813 1.00 54.02 ATOM 28 HN HIS 3 12.961 -17.326 3.926 1.00 37.82 ATOM 29 CA HIS 3 14.808 -17.518 2.888 1.00 53.12 ATOM 30 HA HIS 3 15.752 -17.810 3.329 1.00 31.12 ATOM 31 CB HIS 3 14.643 -18.243 1.544 1.00 53.22 ATOM 32 HB1 HIS 3 14.686 -19.309 1.712 1.00 37.82 ATOM 33 HB2 HIS 3 15.455 -17.958 0.890 1.00 2.15 ATOM 34 CG HIS 3 13.355 -17.940 0.832 1.00 74.24 ATOM 35 ND1 HIS 3 13.298 -17.247 -0.357 1.00 31.34 ATOM 36 HD1 HIS 3 14.068 -16.904 -0.859 1.00 21.44 ATOM 37 CD2 HIS 3 12.071 -18.253 1.137 1.00 42.42 ATOM 38 HD2 HIS 3 11.733 -18.800 2.008 1.00 74.12 ATOM 39 CE1 HIS 3 12.045 -17.143 -0.749 1.00 63.25 ATOM 40 HE1 HIS 3 11.704 -16.645 -1.644 1.00 52.41 ATOM 41 NE2 HIS 3 11.278 -17.745 0.136 1.00 22.44 ATOM 42 HE2 HIS 3 10.335 -17.979 -0.012 1.00 37.82 ATOM 43 C HIS 3 14.825 -15.999 2.666 1.00 24.21 ATOM 44 O HIS 3 13.828 -15.320 2.904 1.00 22.01 ATOM 45 N HIS 4 15.959 -15.478 2.198 1.00 42.04 ATOM 46 HN HIS 4 16.721 -16.070 2.031 1.00 37.82 ATOM 47 CA HIS 4 16.097 -14.036 1.944 1.00 5.20 ATOM 48 HA HIS 4 15.723 -13.523 2.820 1.00 13.22 ATOM 49 CB HIS 4 17.576 -13.658 1.754 1.00 54.43 ATOM 50 HB1 HIS 4 18.117 -13.905 2.659 1.00 37.82 ATOM 51 HB2 HIS 4 17.649 -12.595 1.583 1.00 34.01 ATOM 52 CG HIS 4 18.254 -14.356 0.610 1.00 2.13 ATOM 53 ND1 HIS 4 18.940 -15.543 0.754 1.00 54.50 ATOM 54 HD1 HIS 4 19.048 -16.044 1.590 1.00 34.42 ATOM 55 CD2 HIS 4 18.365 -14.021 -0.702 1.00 34.02 ATOM 56 HD2 HIS 4 17.947 -13.146 -1.180 1.00 72.21 ATOM 57 CE1 HIS 4 19.439 -15.910 -0.410 1.00 23.24 ATOM 58 HE1 HIS 4 20.028 -16.797 -0.595 1.00 64.02 ATOM 59 NE2 HIS 4 19.105 -15.007 -1.307 1.00 60.20 ATOM 60 HE2 HIS 4 19.408 -15.003 -2.241 1.00 37.82 ATOM 61 C HIS 4 15.263 -13.585 0.727 1.00 14.52 ATOM 62 O HIS 4 15.224 -14.261 -0.303 1.00 51.44 ATOM 63 N HIS 5 14.613 -12.431 0.860 1.00 1.14 ATOM 64 HN HIS 5 14.738 -11.914 1.685 1.00 37.82 ATOM 65 CA HIS 5 13.723 -11.894 -0.177 1.00 11.11 ATOM 66 HA HIS 5 13.447 -12.702 -0.843 1.00 63.30 ATOM 67 CB HIS 5 12.455 -11.339 0.492 1.00 72.30 ATOM 68 HB1 HIS 5 12.736 -10.551 1.178 1.00 37.82 ATOM 69 HB2 HIS 5 11.976 -12.132 1.049 1.00 54.11 ATOM 70 CG HIS 5 11.443 -10.780 -0.460 1.00 75.02 ATOM 71 ND1 HIS 5 11.356 -9.440 -0.770 1.00 42.33 ATOM 72 HD1 HIS 5 11.941 -8.730 -0.422 1.00 13.31 ATOM 73 CD2 HIS 5 10.454 -11.387 -1.156 1.00 61.13 ATOM 74 HD2 HIS 5 10.229 -12.445 -1.160 1.00 14.44 ATOM 75 CE1 HIS 5 10.358 -9.249 -1.609 1.00 53.34 ATOM 76 HE1 HIS 5 10.054 -8.298 -2.020 1.00 33.23 ATOM 77 NE2 HIS 5 9.794 -10.412 -1.860 1.00 52.42 ATOM 78 HE2 HIS 5 8.915 -10.523 -2.280 1.00 37.82 ATOM 79 C HIS 5 14.427 -10.790 -0.988 1.00 63.55 ATOM 80 O HIS 5 14.473 -9.633 -0.563 1.00 50.52 ATOM 81 N HIS 6 14.977 -11.140 -2.155 1.00 70.31 ATOM 82 HN HIS 6 14.875 -12.059 -2.478 1.00 37.82 ATOM 83 CA HIS 6 15.739 -10.169 -2.954 1.00 62.53 ATOM 84 HA HIS 6 15.482 -9.182 -2.594 1.00 14.21 ATOM 85 CB HIS 6 17.246 -10.380 -2.743 1.00 72.42 ATOM 86 HB1 HIS 6 17.567 -11.240 -3.316 1.00 37.82 ATOM 87 HB2 HIS 6 17.435 -10.565 -1.695 1.00 34.41 ATOM 88 CG HIS 6 18.084 -9.204 -3.161 1.00 71.52 ATOM 89 ND1 HIS 6 18.623 -9.065 -4.422 1.00 41.11 ATOM 90 HD1 HIS 6 18.519 -9.697 -5.166 1.00 44.21 ATOM 91 CD2 HIS 6 18.472 -8.102 -2.472 1.00 35.33 ATOM 92 HD2 HIS 6 18.232 -7.870 -1.444 1.00 3.32 ATOM 93 CE1 HIS 6 19.302 -7.940 -4.489 1.00 2.25 ATOM 94 HE1 HIS 6 19.835 -7.575 -5.355 1.00 4.42 ATOM 95 NE2 HIS 6 19.227 -7.337 -3.323 1.00 42.11 ATOM 96 HE2 HIS 6 19.484 -6.404 -3.162 1.00 37.82 ATOM 97 C HIS 6 15.393 -10.228 -4.455 1.00 64.41 ATOM 98 O HIS 6 16.202 -10.671 -5.271 1.00 61.34 ATOM 99 N HIS 7 14.171 -9.812 -4.795 1.00 45.03 ATOM 100 HN HIS 7 13.528 -9.627 -4.075 1.00 37.82 ATOM 101 CA HIS 7 13.741 -9.585 -6.195 1.00 43.24 ATOM 102 HA HIS 7 12.738 -9.186 -6.141 1.00 32.14 ATOM 103 CB HIS 7 14.632 -8.517 -6.848 1.00 15.40 ATOM 104 HB1 HIS 7 15.653 -8.872 -6.861 1.00 37.82 ATOM 105 HB2 HIS 7 14.583 -7.611 -6.263 1.00 52.50 ATOM 106 CG HIS 7 14.246 -8.172 -8.260 1.00 1.04 ATOM 107 ND1 HIS 7 15.107 -8.300 -9.326 1.00 55.53 ATOM 108 HD1 HIS 7 16.027 -8.635 -9.281 1.00 51.35 ATOM 109 CD2 HIS 7 13.088 -7.691 -8.778 1.00 32.12 ATOM 110 HD2 HIS 7 12.185 -7.466 -8.230 1.00 11.11 ATOM 111 CE1 HIS 7 14.504 -7.915 -10.431 1.00 23.22 ATOM 112 HE1 HIS 7 14.943 -7.905 -11.417 1.00 72.43 ATOM 113 NE2 HIS 7 13.279 -7.542 -10.128 1.00 13.12 ATOM 114 HE2 HIS 7 12.667 -7.083 -10.740 1.00 37.82 ATOM 115 C HIS 7 13.690 -10.853 -7.091 1.00 1.25 ATOM 116 O HIS 7 13.040 -10.824 -8.139 1.00 32.25 ATOM 117 N HIS 8 14.368 -11.943 -6.714 1.00 34.04 ATOM 118 HN HIS 8 14.873 -11.927 -5.880 1.00 37.82 ATOM 119 CA HIS 8 14.376 -13.167 -7.539 1.00 44.22 ATOM 120 HA HIS 8 14.850 -12.924 -8.481 1.00 2.54 ATOM 121 CB HIS 8 15.184 -14.280 -6.848 1.00 64.02 ATOM 122 HB1 HIS 8 14.633 -14.635 -5.987 1.00 37.82 ATOM 123 HB2 HIS 8 16.130 -13.878 -6.519 1.00 24.10 ATOM 124 CG HIS 8 15.469 -15.461 -7.733 1.00 43.13 ATOM 125 ND1 HIS 8 14.850 -16.684 -7.587 1.00 34.31 ATOM 126 HD1 HIS 8 14.186 -16.914 -6.900 1.00 52.45 ATOM 127 CD2 HIS 8 16.323 -15.602 -8.778 1.00 73.21 ATOM 128 HD2 HIS 8 16.981 -14.841 -9.176 1.00 25.34 ATOM 129 CE1 HIS 8 15.308 -17.519 -8.500 1.00 52.51 ATOM 130 HE1 HIS 8 14.997 -18.546 -8.628 1.00 11.13 ATOM 131 NE2 HIS 8 16.200 -16.890 -9.235 1.00 42.23 ATOM 132 HE2 HIS 8 16.576 -17.233 -10.076 1.00 37.82 ATOM 133 C HIS 8 12.937 -13.641 -7.819 1.00 42.20 ATOM 134 O HIS 8 12.273 -14.202 -6.942 1.00 53.34 ATOM 135 N SER 9 12.465 -13.412 -9.045 1.00 60.11 ATOM 136 HN SER 9 13.090 -13.111 -9.743 1.00 37.82 ATOM 137 CA SER 9 11.047 -13.609 -9.392 1.00 11.31 ATOM 138 HA SER 9 10.476 -13.585 -8.475 1.00 71.22 ATOM 139 CB SER 9 10.565 -12.463 -10.299 1.00 31.03 ATOM 140 HB1 SER 9 11.113 -12.490 -11.230 1.00 37.82 ATOM 141 HB2 SER 9 10.748 -11.519 -9.806 1.00 23.33 ATOM 142 OG SER 9 9.173 -12.565 -10.585 1.00 40.31 ATOM 143 HG SER 9 9.026 -12.435 -11.533 1.00 11.20 ATOM 144 C SER 9 10.790 -14.956 -10.085 1.00 62.52 ATOM 145 O SER 9 11.709 -15.733 -10.353 1.00 4.23 ATOM 146 N HIS 10 9.519 -15.221 -10.371 1.00 32.24 ATOM 147 HN HIS 10 8.832 -14.561 -10.123 1.00 37.82 ATOM 148 CA HIS 10 9.108 -16.455 -11.039 1.00 72.33 ATOM 149 HA HIS 10 9.795 -17.239 -10.745 1.00 75.14 ATOM 150 CB HIS 10 7.692 -16.834 -10.592 1.00 34.22 ATOM 151 HB1 HIS 10 6.973 -16.248 -11.149 1.00 37.82 ATOM 152 HB2 HIS 10 7.585 -16.614 -9.540 1.00 10.01 ATOM 153 CG HIS 10 7.363 -18.278 -10.785 1.00 72.21 ATOM 154 ND1 HIS 10 6.493 -18.736 -11.745 1.00 73.23 ATOM 155 HD1 HIS 10 6.005 -18.179 -12.392 1.00 51.30 ATOM 156 CD2 HIS 10 7.776 -19.371 -10.107 1.00 42.41 ATOM 157 HD2 HIS 10 8.473 -19.386 -9.281 1.00 62.22 ATOM 158 CE1 HIS 10 6.382 -20.044 -11.648 1.00 10.52 ATOM 159 HE1 HIS 10 5.767 -20.673 -12.274 1.00 12.43 ATOM 160 NE2 HIS 10 7.151 -20.459 -10.661 1.00 51.11 ATOM 161 HE2 HIS 10 7.046 -21.323 -10.208 1.00 37.82 ATOM 162 C HIS 10 9.169 -16.285 -12.568 1.00 75.35 ATOM 163 O HIS 10 8.410 -15.508 -13.147 1.00 32.20 ATOM 164 N MET 11 10.074 -17.019 -13.206 1.00 45.52 ATOM 165 HN MET 11 10.594 -17.672 -12.695 1.00 37.82 ATOM 166 CA MET 11 10.334 -16.879 -14.646 1.00 24.53 ATOM 167 HA MET 11 10.644 -15.859 -14.824 1.00 10.40 ATOM 168 CB MET 11 11.483 -17.813 -15.041 1.00 43.21 ATOM 169 HB1 MET 11 11.179 -18.835 -14.857 1.00 37.82 ATOM 170 HB2 MET 11 12.340 -17.590 -14.422 1.00 65.14 ATOM 171 CG MET 11 11.913 -17.701 -16.496 1.00 13.14 ATOM 172 HG1 MET 11 12.278 -16.700 -16.678 1.00 37.82 ATOM 173 HG2 MET 11 11.057 -17.893 -17.130 1.00 73.22 ATOM 174 SD MET 11 13.215 -18.875 -16.906 1.00 1.24 ATOM 175 CE MET 11 12.387 -20.425 -16.550 1.00 13.14 ATOM 176 HE1 MET 11 12.093 -20.448 -15.510 1.00 62.31 ATOM 177 HE2 MET 11 13.057 -21.245 -16.751 1.00 74.41 ATOM 178 HE3 MET 11 11.510 -20.517 -17.174 1.00 1.01 ATOM 179 C MET 11 9.093 -17.174 -15.517 1.00 2.01 ATOM 180 O MET 11 8.389 -18.168 -15.313 1.00 14.35 ATOM 181 N LEU 12 8.846 -16.298 -16.494 1.00 72.31 ATOM 182 HN LEU 12 9.415 -15.502 -16.567 1.00 37.82 ATOM 183 CA LEU 12 7.754 -16.473 -17.464 1.00 1.30 ATOM 184 HA LEU 12 7.317 -17.450 -17.309 1.00 11.14 ATOM 185 CB LEU 12 6.671 -15.397 -17.246 1.00 12.20 ATOM 186 HB1 LEU 12 5.924 -15.511 -18.019 1.00 37.82 ATOM 187 HB2 LEU 12 7.129 -14.424 -17.359 1.00 51.12 ATOM 188 CG LEU 12 5.959 -15.437 -15.883 1.00 25.15 ATOM 189 HG LEU 12 6.699 -15.347 -15.099 1.00 32.12 ATOM 190 CD1 LEU 12 4.988 -14.266 -15.744 1.00 15.04 ATOM 191 HD11 LEU 12 5.531 -13.335 -15.829 1.00 55.22 ATOM 192 HD12 LEU 12 4.506 -14.311 -14.778 1.00 73.21 ATOM 193 HD13 LEU 12 4.240 -14.318 -16.522 1.00 61.53 ATOM 194 CD2 LEU 12 5.233 -16.767 -15.692 1.00 64.21 ATOM 195 HD21 LEU 12 4.751 -16.779 -14.725 1.00 65.11 ATOM 196 HD22 LEU 12 5.946 -17.580 -15.746 1.00 72.44 ATOM 197 HD23 LEU 12 4.489 -16.890 -16.467 1.00 12.13 ATOM 198 C LEU 12 8.287 -16.397 -18.909 1.00 21.51 ATOM 199 O LEU 12 9.493 -16.481 -19.146 1.00 22.54 ATOM 200 N THR 13 7.378 -16.262 -19.877 1.00 62.13 ATOM 201 HN THR 13 6.431 -16.261 -19.638 1.00 37.82 ATOM 202 CA THR 13 7.766 -16.108 -21.290 1.00 44.32 ATOM 203 HA THR 13 8.830 -15.901 -21.316 1.00 63.34 ATOM 204 CB THR 13 7.513 -17.400 -22.115 1.00 13.11 ATOM 205 HB THR 13 8.182 -18.165 -21.752 1.00 11.32 ATOM 206 OG1 THR 13 7.792 -17.167 -23.502 1.00 24.14 ATOM 207 HG1 THR 13 8.750 -17.166 -23.641 1.00 70.21 ATOM 208 CG2 THR 13 6.083 -17.911 -21.967 1.00 33.52 ATOM 209 HG21 THR 13 5.986 -18.856 -22.479 1.00 35.22 ATOM 210 HG22 THR 13 5.398 -17.198 -22.399 1.00 5.42 ATOM 211 HG23 THR 13 5.854 -18.044 -20.919 1.00 61.10 ATOM 212 C THR 13 7.037 -14.929 -21.947 1.00 12.21 ATOM 213 O THR 13 7.665 -14.019 -22.486 1.00 24.03 ATOM 214 N LYS 14 5.707 -14.944 -21.888 1.00 43.33 ATOM 215 HN LYS 14 5.262 -15.690 -21.448 1.00 37.82 ATOM 216 CA LYS 14 4.890 -13.869 -22.451 1.00 53.01 ATOM 217 HA LYS 14 5.544 -13.157 -22.937 1.00 11.34 ATOM 218 CB LYS 14 3.896 -14.427 -23.481 1.00 1.01 ATOM 219 HB1 LYS 14 3.434 -13.597 -23.998 1.00 37.82 ATOM 220 HB2 LYS 14 3.126 -14.978 -22.957 1.00 31.04 ATOM 221 CG LYS 14 4.509 -15.355 -24.524 1.00 42.41 ATOM 222 HG1 LYS 14 3.737 -15.633 -25.228 1.00 37.82 ATOM 223 HG2 LYS 14 4.873 -16.242 -24.026 1.00 42.31 ATOM 224 CD LYS 14 5.665 -14.712 -25.286 1.00 74.22 ATOM 225 HD1 LYS 14 6.467 -14.499 -24.593 1.00 37.82 ATOM 226 HD2 LYS 14 5.322 -13.790 -25.735 1.00 74.14 ATOM 227 CE LYS 14 6.192 -15.632 -26.385 1.00 3.24 ATOM 228 HE1 LYS 14 7.050 -15.164 -26.849 1.00 37.82 ATOM 229 HE2 LYS 14 5.417 -15.771 -27.125 1.00 2.32 ATOM 230 NZ LYS 14 6.595 -16.964 -25.857 1.00 43.13 ATOM 231 HZ1 LYS 14 7.028 -17.534 -26.612 1.00 50.04 ATOM 232 HZ2 LYS 14 5.761 -17.474 -25.495 1.00 13.10 ATOM 233 HZ3 LYS 14 7.280 -16.853 -25.085 1.00 73.15 ATOM 234 C LYS 14 4.118 -13.157 -21.340 1.00 54.22 ATOM 235 O LYS 14 4.410 -13.331 -20.153 1.00 54.21 ATOM 236 N HIS 15 3.128 -12.363 -21.727 1.00 10.20 ATOM 237 HN HIS 15 2.980 -12.218 -22.686 1.00 37.82 ATOM 238 CA HIS 15 2.275 -11.670 -20.761 1.00 3.22 ATOM 239 HA HIS 15 2.932 -11.095 -20.125 1.00 42.04 ATOM 240 CB HIS 15 1.333 -10.690 -21.478 1.00 23.42 ATOM 241 HB1 HIS 15 1.883 -9.790 -21.716 1.00 37.82 ATOM 242 HB2 HIS 15 0.519 -10.435 -20.814 1.00 31.24 ATOM 243 CG HIS 15 0.734 -11.214 -22.754 1.00 23.43 ATOM 244 ND1 HIS 15 0.872 -10.569 -23.962 1.00 24.21 ATOM 245 HD1 HIS 15 1.382 -9.745 -24.115 1.00 62.01 ATOM 246 CD2 HIS 15 -0.021 -12.311 -23.006 1.00 24.42 ATOM 247 HD2 HIS 15 -0.308 -13.068 -22.291 1.00 33.11 ATOM 248 CE1 HIS 15 0.229 -11.236 -24.896 1.00 15.12 ATOM 249 HE1 HIS 15 0.171 -10.963 -25.939 1.00 2.23 ATOM 250 NE2 HIS 15 -0.324 -12.298 -24.347 1.00 70.42 ATOM 251 HE2 HIS 15 -1.037 -12.826 -24.767 1.00 37.82 ATOM 252 C HIS 15 1.478 -12.642 -19.861 1.00 20.11 ATOM 253 O HIS 15 0.349 -13.020 -20.172 1.00 75.14 ATOM 254 N GLY 16 2.107 -13.074 -18.766 1.00 61.22 ATOM 255 HN GLY 16 3.063 -12.864 -18.658 1.00 37.82 ATOM 256 CA GLY 16 1.417 -13.832 -17.720 1.00 73.43 ATOM 257 HA1 GLY 16 0.489 -13.326 -17.489 1.00 37.82 ATOM 258 HA2 GLY 16 2.040 -13.816 -16.839 1.00 24.15 ATOM 259 C GLY 16 1.097 -15.297 -18.047 1.00 1.43 ATOM 260 O GLY 16 1.093 -16.137 -17.148 1.00 24.31 ATOM 261 N LYS 17 0.835 -15.616 -19.316 1.00 53.20 ATOM 262 HN LYS 17 0.950 -14.935 -20.009 1.00 37.82 ATOM 263 CA LYS 17 0.357 -16.960 -19.702 1.00 34.51 ATOM 264 HA LYS 17 -0.593 -17.102 -19.207 1.00 61.31 ATOM 265 CB LYS 17 0.114 -17.039 -21.219 1.00 70.11 ATOM 266 HB1 LYS 17 -0.072 -18.070 -21.491 1.00 37.82 ATOM 267 HB2 LYS 17 1.003 -16.700 -21.732 1.00 64.02 ATOM 268 CG LYS 17 -1.067 -16.197 -21.704 1.00 74.23 ATOM 269 HG1 LYS 17 -1.207 -16.370 -22.764 1.00 37.82 ATOM 270 HG2 LYS 17 -0.845 -15.153 -21.539 1.00 63.21 ATOM 271 CD LYS 17 -2.365 -16.543 -20.969 1.00 44.34 ATOM 272 HD1 LYS 17 -3.163 -15.934 -21.372 1.00 37.82 ATOM 273 HD2 LYS 17 -2.240 -16.317 -19.920 1.00 30.21 ATOM 274 CE LYS 17 -2.749 -18.018 -21.109 1.00 72.45 ATOM 275 HE1 LYS 17 -3.639 -18.200 -20.525 1.00 37.82 ATOM 276 HE2 LYS 17 -1.943 -18.625 -20.728 1.00 70.11 ATOM 277 NZ LYS 17 -3.013 -18.403 -22.521 1.00 35.41 ATOM 278 HZ1 LYS 17 -2.145 -18.322 -23.084 1.00 5.33 ATOM 279 HZ2 LYS 17 -3.735 -17.780 -22.934 1.00 21.22 ATOM 280 HZ3 LYS 17 -3.353 -19.386 -22.569 1.00 60.02 ATOM 281 C LYS 17 1.283 -18.116 -19.266 1.00 64.45 ATOM 282 O LYS 17 0.849 -19.266 -19.255 1.00 50.33 ATOM 283 N ASN 18 2.541 -17.816 -18.910 1.00 64.21 ATOM 284 HN ASN 18 2.829 -16.884 -18.946 1.00 37.82 ATOM 285 CA ASN 18 3.497 -18.847 -18.444 1.00 71.34 ATOM 286 HA ASN 18 4.385 -18.330 -18.107 1.00 64.10 ATOM 287 CB ASN 18 2.896 -19.620 -17.255 1.00 25.13 ATOM 288 HB1 ASN 18 2.003 -20.135 -17.584 1.00 37.82 ATOM 289 HB2 ASN 18 2.631 -18.918 -16.476 1.00 64.13 ATOM 290 CG ASN 18 3.849 -20.643 -16.668 1.00 55.45 ATOM 291 OD1 ASN 18 3.920 -21.779 -17.122 1.00 4.25 ATOM 292 ND2 ASN 18 4.593 -20.249 -15.655 1.00 23.23 ATOM 293 HD21 ASN 18 4.488 -19.329 -15.333 1.00 22.32 ATOM 294 HD22 ASN 18 5.215 -20.893 -15.267 1.00 65.11 ATOM 295 C ASN 18 3.898 -19.824 -19.578 1.00 32.22 ATOM 296 O ASN 18 3.061 -20.235 -20.381 1.00 40.31 ATOM 297 N PRO 19 5.192 -20.221 -19.656 1.00 40.34 ATOM 298 CA PRO 19 5.680 -21.147 -20.705 1.00 50.14 ATOM 299 HA PRO 19 5.649 -20.675 -21.679 1.00 73.54 ATOM 300 CB PRO 19 7.149 -21.404 -20.313 1.00 43.13 ATOM 301 HB1 PRO 19 7.799 -20.844 -20.971 1.00 37.82 ATOM 302 HB2 PRO 19 7.373 -22.459 -20.398 1.00 12.30 ATOM 303 CG PRO 19 7.273 -20.933 -18.899 1.00 61.04 ATOM 304 HG1 PRO 19 8.278 -20.580 -18.714 1.00 37.82 ATOM 305 HG2 PRO 19 7.027 -21.738 -18.218 1.00 54.43 ATOM 306 CD PRO 19 6.286 -19.809 -18.754 1.00 61.15 ATOM 307 HD1 PRO 19 6.723 -18.875 -19.077 1.00 37.82 ATOM 308 HD2 PRO 19 5.944 -19.735 -17.730 1.00 10.14 ATOM 309 C PRO 19 4.894 -22.472 -20.775 1.00 71.12 ATOM 310 O PRO 19 4.528 -22.929 -21.859 1.00 20.42 ATOM 311 N VAL 20 4.632 -23.078 -19.617 1.00 23.02 ATOM 312 HN VAL 20 4.917 -22.651 -18.781 1.00 37.82 ATOM 313 CA VAL 20 3.921 -24.364 -19.561 1.00 71.22 ATOM 314 HA VAL 20 4.478 -25.070 -20.163 1.00 22.20 ATOM 315 CB VAL 20 3.848 -24.917 -18.111 1.00 73.33 ATOM 316 HB VAL 20 3.312 -24.199 -17.502 1.00 34.30 ATOM 317 CG1 VAL 20 3.079 -26.244 -18.063 1.00 73.23 ATOM 318 HG11 VAL 20 3.032 -26.599 -17.044 1.00 31.52 ATOM 319 HG12 VAL 20 3.580 -26.979 -18.676 1.00 33.33 ATOM 320 HG13 VAL 20 2.073 -26.094 -18.436 1.00 54.03 ATOM 321 CG2 VAL 20 5.252 -25.077 -17.527 1.00 72.20 ATOM 322 HG21 VAL 20 5.830 -25.747 -18.148 1.00 33.51 ATOM 323 HG22 VAL 20 5.185 -25.484 -16.527 1.00 42.24 ATOM 324 HG23 VAL 20 5.739 -24.114 -17.489 1.00 42.24 ATOM 325 C VAL 20 2.497 -24.254 -20.127 1.00 73.40 ATOM 326 O VAL 20 2.062 -25.097 -20.917 1.00 22.14 ATOM 327 N MET 21 1.776 -23.209 -19.725 1.00 73.03 ATOM 328 HN MET 21 2.190 -22.540 -19.139 1.00 37.82 ATOM 329 CA MET 21 0.381 -23.035 -20.143 1.00 23.05 ATOM 330 HA MET 21 -0.083 -24.013 -20.118 1.00 1.14 ATOM 331 CB MET 21 -0.371 -22.127 -19.163 1.00 44.13 ATOM 332 HB1 MET 21 -1.384 -21.998 -19.516 1.00 37.82 ATOM 333 HB2 MET 21 0.116 -21.164 -19.136 1.00 10.10 ATOM 334 CG MET 21 -0.430 -22.677 -17.740 1.00 45.31 ATOM 335 HG1 MET 21 0.562 -22.645 -17.313 1.00 37.82 ATOM 336 HG2 MET 21 -0.769 -23.701 -17.777 1.00 43.20 ATOM 337 SD MET 21 -1.548 -21.748 -16.667 1.00 61.11 ATOM 338 CE MET 21 -0.768 -20.134 -16.655 1.00 14.24 ATOM 339 HE1 MET 21 0.238 -20.221 -16.271 1.00 34.35 ATOM 340 HE2 MET 21 -1.335 -19.463 -16.027 1.00 4.11 ATOM 341 HE3 MET 21 -0.735 -19.743 -17.661 1.00 4.02 ATOM 342 C MET 21 0.263 -22.494 -21.581 1.00 33.33 ATOM 343 O MET 21 -0.770 -22.676 -22.229 1.00 62.04 ATOM 344 N GLU 22 1.303 -21.823 -22.081 1.00 1.13 ATOM 345 HN GLU 22 2.056 -21.593 -21.495 1.00 37.82 ATOM 346 CA GLU 22 1.328 -21.410 -23.493 1.00 73.21 ATOM 347 HA GLU 22 0.342 -21.034 -23.738 1.00 44.03 ATOM 348 CB GLU 22 2.353 -20.295 -23.749 1.00 31.22 ATOM 349 HB1 GLU 22 3.314 -20.600 -23.358 1.00 37.82 ATOM 350 HB2 GLU 22 2.031 -19.400 -23.233 1.00 21.33 ATOM 351 CG GLU 22 2.518 -19.967 -25.235 1.00 22.45 ATOM 352 HG1 GLU 22 1.537 -19.843 -25.673 1.00 37.82 ATOM 353 HG2 GLU 22 3.016 -20.796 -25.719 1.00 0.44 ATOM 354 CD GLU 22 3.326 -18.705 -25.490 1.00 20.41 ATOM 355 OE1 GLU 22 2.716 -17.623 -25.608 1.00 32.13 ATOM 356 OE2 GLU 22 4.570 -18.791 -25.591 1.00 24.45 ATOM 357 C GLU 22 1.623 -22.611 -24.401 1.00 4.12 ATOM 358 O GLU 22 0.877 -22.889 -25.342 1.00 53.44 ATOM 359 N LEU 23 2.707 -23.331 -24.103 1.00 21.10 ATOM 360 HN LEU 23 3.290 -23.034 -23.370 1.00 37.82 ATOM 361 CA LEU 23 3.056 -24.551 -24.841 1.00 14.23 ATOM 362 HA LEU 23 3.302 -24.265 -25.853 1.00 64.00 ATOM 363 CB LEU 23 4.278 -25.224 -24.197 1.00 24.51 ATOM 364 HB1 LEU 23 4.021 -25.484 -23.179 1.00 37.82 ATOM 365 HB2 LEU 23 5.084 -24.502 -24.169 1.00 34.03 ATOM 366 CG LEU 23 4.788 -26.494 -24.905 1.00 72.51 ATOM 367 HG LEU 23 3.974 -27.202 -24.982 1.00 42.11 ATOM 368 CD1 LEU 23 5.265 -26.181 -26.325 1.00 52.41 ATOM 369 HD11 LEU 23 4.447 -25.771 -26.901 1.00 51.43 ATOM 370 HD12 LEU 23 5.615 -27.088 -26.798 1.00 15.22 ATOM 371 HD13 LEU 23 6.072 -25.463 -26.287 1.00 2.42 ATOM 372 CD2 LEU 23 5.902 -27.149 -24.089 1.00 63.43 ATOM 373 HD21 LEU 23 5.526 -27.414 -23.111 1.00 21.03 ATOM 374 HD22 LEU 23 6.728 -26.460 -23.982 1.00 54.11 ATOM 375 HD23 LEU 23 6.242 -28.040 -24.596 1.00 4.15 ATOM 376 C LEU 23 1.865 -25.524 -24.875 1.00 71.12 ATOM 377 O LEU 23 1.635 -26.213 -25.870 1.00 63.15 ATOM 378 N ASN 24 1.103 -25.543 -23.781 1.00 41.11 ATOM 379 HN ASN 24 1.370 -24.991 -23.012 1.00 37.82 ATOM 380 CA ASN 24 -0.111 -26.360 -23.672 1.00 4.35 ATOM 381 HA ASN 24 0.175 -27.401 -23.740 1.00 23.22 ATOM 382 CB ASN 24 -0.767 -26.103 -22.306 1.00 1.01 ATOM 383 HB1 ASN 24 -1.390 -25.222 -22.373 1.00 37.82 ATOM 384 HB2 ASN 24 0.005 -25.932 -21.569 1.00 3.22 ATOM 385 CG ASN 24 -1.626 -27.261 -21.838 1.00 15.14 ATOM 386 OD1 ASN 24 -2.801 -27.363 -22.173 1.00 3.11 ATOM 387 ND2 ASN 24 -1.052 -28.130 -21.029 1.00 55.14 ATOM 388 HD21 ASN 24 -0.119 -27.981 -20.781 1.00 3.34 ATOM 389 HD22 ASN 24 -1.583 -28.888 -20.714 1.00 73.24 ATOM 390 C ASN 24 -1.111 -26.031 -24.801 1.00 2.31 ATOM 391 O ASN 24 -1.810 -26.908 -25.312 1.00 71.13 ATOM 392 N GLU 25 -1.176 -24.752 -25.175 1.00 23.20 ATOM 393 HN GLU 25 -0.603 -24.099 -24.721 1.00 37.82 ATOM 394 CA GLU 25 -2.082 -24.288 -26.236 1.00 10.41 ATOM 395 HA GLU 25 -2.995 -24.864 -26.172 1.00 74.53 ATOM 396 CB GLU 25 -2.413 -22.801 -26.033 1.00 34.35 ATOM 397 HB1 GLU 25 -3.178 -22.514 -26.741 1.00 37.82 ATOM 398 HB2 GLU 25 -1.523 -22.219 -26.224 1.00 64.21 ATOM 399 CG GLU 25 -2.909 -22.467 -24.629 1.00 60.01 ATOM 400 HG1 GLU 25 -2.164 -22.788 -23.916 1.00 37.82 ATOM 401 HG2 GLU 25 -3.828 -23.009 -24.451 1.00 21.31 ATOM 402 CD GLU 25 -3.173 -20.981 -24.419 1.00 44.15 ATOM 403 OE1 GLU 25 -4.168 -20.637 -23.743 1.00 50.35 ATOM 404 OE2 GLU 25 -2.385 -20.148 -24.910 1.00 12.12 ATOM 405 C GLU 25 -1.462 -24.488 -27.629 1.00 42.51 ATOM 406 O GLU 25 -2.171 -24.666 -28.623 1.00 74.25 ATOM 407 N LYS 26 -0.130 -24.451 -27.690 1.00 44.52 ATOM 408 HN LYS 26 0.377 -24.331 -26.858 1.00 37.82 ATOM 409 CA LYS 26 0.601 -24.576 -28.959 1.00 33.03 ATOM 410 HA LYS 26 0.074 -23.995 -29.702 1.00 22.41 ATOM 411 CB LYS 26 2.020 -24.007 -28.803 1.00 42.31 ATOM 412 HB1 LYS 26 2.497 -23.989 -29.774 1.00 37.82 ATOM 413 HB2 LYS 26 2.584 -24.659 -28.152 1.00 53.15 ATOM 414 CG LYS 26 2.073 -22.597 -28.217 1.00 13.23 ATOM 415 HG1 LYS 26 3.110 -22.305 -28.113 1.00 37.82 ATOM 416 HG2 LYS 26 1.610 -22.611 -27.243 1.00 14.44 ATOM 417 CD LYS 26 1.352 -21.561 -29.079 1.00 21.35 ATOM 418 HD1 LYS 26 1.328 -20.621 -28.545 1.00 37.82 ATOM 419 HD2 LYS 26 0.341 -21.897 -29.258 1.00 4.22 ATOM 420 CE LYS 26 2.044 -21.348 -30.422 1.00 34.05 ATOM 421 HE1 LYS 26 2.000 -22.268 -30.989 1.00 37.82 ATOM 422 HE2 LYS 26 3.077 -21.088 -30.245 1.00 32.33 ATOM 423 NZ LYS 26 1.402 -20.265 -31.211 1.00 42.22 ATOM 424 HZ1 LYS 26 1.419 -19.374 -30.678 1.00 43.44 ATOM 425 HZ2 LYS 26 0.415 -20.508 -31.422 1.00 42.32 ATOM 426 HZ3 LYS 26 1.912 -20.125 -32.110 1.00 23.52 ATOM 427 C LYS 26 0.674 -26.040 -29.437 1.00 2.41 ATOM 428 O LYS 26 0.659 -26.311 -30.638 1.00 42.32 ATOM 429 N ARG 27 0.774 -26.974 -28.487 1.00 33.14 ATOM 430 HN ARG 27 0.811 -26.688 -27.547 1.00 37.82 ATOM 431 CA ARG 27 0.829 -28.415 -28.790 1.00 3.01 ATOM 432 HA ARG 27 0.407 -28.566 -29.774 1.00 3.33 ATOM 433 CB ARG 27 2.289 -28.912 -28.786 1.00 71.42 ATOM 434 HB1 ARG 27 2.288 -29.993 -28.818 1.00 37.82 ATOM 435 HB2 ARG 27 2.758 -28.597 -27.864 1.00 42.13 ATOM 436 CG ARG 27 3.142 -28.402 -29.950 1.00 15.30 ATOM 437 HG1 ARG 27 4.172 -28.686 -29.777 1.00 37.82 ATOM 438 HG2 ARG 27 3.070 -27.326 -29.993 1.00 35.40 ATOM 439 CD ARG 27 2.690 -28.978 -31.291 1.00 35.41 ATOM 440 HD1 ARG 27 1.660 -28.697 -31.460 1.00 37.82 ATOM 441 HD2 ARG 27 2.765 -30.056 -31.248 1.00 42.12 ATOM 442 NE ARG 27 3.506 -28.488 -32.408 1.00 14.23 ATOM 443 HE ARG 27 4.104 -27.738 -32.236 1.00 74.03 ATOM 444 CZ ARG 27 3.470 -28.979 -33.618 1.00 33.33 ATOM 445 NH1 ARG 27 2.721 -30.000 -33.895 1.00 23.34 ATOM 446 HH11 ARG 27 2.166 -30.417 -33.183 1.00 63.24 ATOM 447 HH12 ARG 27 2.708 -30.376 -34.821 1.00 11.24 ATOM 448 NH2 ARG 27 4.200 -28.457 -34.550 1.00 11.30 ATOM 449 HH21 ARG 27 4.789 -27.677 -34.345 1.00 61.45 ATOM 450 HH22 ARG 27 4.172 -28.832 -35.475 1.00 64.31 ATOM 451 C ARG 27 0.007 -29.222 -27.768 1.00 45.45 ATOM 452 O ARG 27 0.224 -29.113 -26.562 1.00 24.40 ATOM 453 N ARG 28 -0.930 -30.036 -28.254 1.00 2.01 ATOM 454 HN ARG 28 -1.048 -30.103 -29.225 1.00 37.82 ATOM 455 CA ARG 28 -1.784 -30.840 -27.365 1.00 13.10 ATOM 456 HA ARG 28 -1.958 -30.263 -26.467 1.00 71.11 ATOM 457 CB ARG 28 -3.143 -31.149 -28.022 1.00 21.12 ATOM 458 HB1 ARG 28 -3.710 -31.783 -27.353 1.00 37.82 ATOM 459 HB2 ARG 28 -2.969 -31.690 -28.941 1.00 23.41 ATOM 460 CG ARG 28 -4.000 -29.923 -28.349 1.00 32.22 ATOM 461 HG1 ARG 28 -3.977 -29.247 -27.505 1.00 37.82 ATOM 462 HG2 ARG 28 -5.016 -30.245 -28.522 1.00 71.11 ATOM 463 CD ARG 28 -3.504 -29.184 -29.589 1.00 32.51 ATOM 464 HD1 ARG 28 -3.332 -29.903 -30.377 1.00 37.82 ATOM 465 HD2 ARG 28 -2.574 -28.689 -29.349 1.00 44.32 ATOM 466 NE ARG 28 -4.459 -28.183 -30.058 1.00 52.42 ATOM 467 HE ARG 28 -4.544 -27.359 -29.539 1.00 23.33 ATOM 468 CZ ARG 28 -5.194 -28.322 -31.131 1.00 22.15 ATOM 469 NH1 ARG 28 -5.136 -29.408 -31.834 1.00 23.33 ATOM 470 HH11 ARG 28 -4.535 -30.150 -31.559 1.00 1.13 ATOM 471 HH12 ARG 28 -5.703 -29.498 -32.652 1.00 3.04 ATOM 472 NH2 ARG 28 -5.995 -27.379 -31.496 1.00 43.34 ATOM 473 HH21 ARG 28 -6.059 -26.541 -30.962 1.00 61.10 ATOM 474 HH22 ARG 28 -6.552 -27.494 -32.315 1.00 63.25 ATOM 475 C ARG 28 -1.105 -32.162 -26.972 1.00 32.54 ATOM 476 O ARG 28 -0.275 -32.692 -27.711 1.00 70.33 ATOM 477 N GLY 29 -1.478 -32.693 -25.808 1.00 14.22 ATOM 478 HN GLY 29 -2.133 -32.215 -25.256 1.00 37.82 ATOM 479 CA GLY 29 -0.944 -33.974 -25.349 1.00 53.30 ATOM 480 HA1 GLY 29 -1.075 -34.703 -26.138 1.00 37.82 ATOM 481 HA2 GLY 29 -1.513 -34.294 -24.490 1.00 74.12 ATOM 482 C GLY 29 0.532 -33.929 -24.961 1.00 72.04 ATOM 483 O GLY 29 1.363 -34.611 -25.563 1.00 35.23 ATOM 484 N LEU 30 0.860 -33.141 -23.943 1.00 52.34 ATOM 485 HN LEU 30 0.155 -32.641 -23.485 1.00 37.82 ATOM 486 CA LEU 30 2.247 -33.005 -23.481 1.00 20.35 ATOM 487 HA LEU 30 2.901 -33.290 -24.295 1.00 20.15 ATOM 488 CB LEU 30 2.534 -31.545 -23.105 1.00 61.33 ATOM 489 HB1 LEU 30 3.573 -31.467 -22.818 1.00 37.82 ATOM 490 HB2 LEU 30 1.924 -31.290 -22.249 1.00 0.15 ATOM 491 CG LEU 30 2.263 -30.517 -24.217 1.00 11.10 ATOM 492 HG LEU 30 1.221 -30.572 -24.498 1.00 72.52 ATOM 493 CD1 LEU 30 2.533 -29.098 -23.720 1.00 74.44 ATOM 494 HD11 LEU 30 1.892 -28.883 -22.877 1.00 42.31 ATOM 495 HD12 LEU 30 2.328 -28.393 -24.513 1.00 10.12 ATOM 496 HD13 LEU 30 3.566 -29.008 -23.417 1.00 12.24 ATOM 497 CD2 LEU 30 3.100 -30.829 -25.458 1.00 3.43 ATOM 498 HD21 LEU 30 2.867 -31.824 -25.808 1.00 34.12 ATOM 499 HD22 LEU 30 4.151 -30.771 -25.213 1.00 31.33 ATOM 500 HD23 LEU 30 2.873 -30.113 -26.235 1.00 60.02 ATOM 501 C LEU 30 2.532 -33.920 -22.279 1.00 50.34 ATOM 502 O LEU 30 1.611 -34.405 -21.620 1.00 44.22 ATOM 503 N LYS 31 3.811 -34.142 -21.991 1.00 30.42 ATOM 504 HN LYS 31 4.501 -33.716 -22.543 1.00 37.82 ATOM 505 CA LYS 31 4.215 -35.011 -20.875 1.00 43.13 ATOM 506 HA LYS 31 3.380 -35.083 -20.191 1.00 72.44 ATOM 507 CB LYS 31 4.546 -36.419 -21.401 1.00 34.32 ATOM 508 HB1 LYS 31 5.355 -36.344 -22.114 1.00 37.82 ATOM 509 HB2 LYS 31 3.674 -36.813 -21.906 1.00 52.21 ATOM 510 CG LYS 31 4.957 -37.414 -20.316 1.00 0.14 ATOM 511 HG1 LYS 31 4.165 -37.487 -19.585 1.00 37.82 ATOM 512 HG2 LYS 31 5.858 -37.055 -19.837 1.00 71.23 ATOM 513 CD LYS 31 5.230 -38.799 -20.905 1.00 53.52 ATOM 514 HD1 LYS 31 6.114 -38.744 -21.526 1.00 37.82 ATOM 515 HD2 LYS 31 4.386 -39.095 -21.513 1.00 40.44 ATOM 516 CE LYS 31 5.450 -39.855 -19.826 1.00 10.14 ATOM 517 HE1 LYS 31 5.667 -40.799 -20.306 1.00 37.82 ATOM 518 HE2 LYS 31 4.548 -39.950 -19.241 1.00 51.32 ATOM 519 NZ LYS 31 6.574 -39.504 -18.921 1.00 10.13 ATOM 520 HZ1 LYS 31 7.401 -39.200 -19.476 1.00 43.13 ATOM 521 HZ2 LYS 31 6.843 -40.329 -18.349 1.00 42.33 ATOM 522 HZ3 LYS 31 6.295 -38.735 -18.279 1.00 43.42 ATOM 523 C LYS 31 5.421 -34.432 -20.118 1.00 51.14 ATOM 524 O LYS 31 6.554 -34.521 -20.584 1.00 11.34 ATOM 525 N TYR 32 5.164 -33.826 -18.956 1.00 34.54 ATOM 526 HN TYR 32 4.230 -33.741 -18.662 1.00 37.82 ATOM 527 CA TYR 32 6.231 -33.282 -18.099 1.00 72.01 ATOM 528 HA TYR 32 7.097 -33.092 -18.718 1.00 71.10 ATOM 529 CB TYR 32 5.781 -31.961 -17.443 1.00 33.24 ATOM 530 HB1 TYR 32 6.547 -31.639 -16.750 1.00 37.82 ATOM 531 HB2 TYR 32 4.868 -32.137 -16.892 1.00 34.11 ATOM 532 CG TYR 32 5.517 -30.814 -18.407 1.00 4.41 ATOM 533 CD1 TYR 32 6.397 -29.737 -18.491 1.00 41.34 ATOM 534 HD1 TYR 32 7.281 -29.732 -17.871 1.00 33.15 ATOM 535 CD2 TYR 32 4.385 -30.796 -19.215 1.00 53.12 ATOM 536 HD2 TYR 32 3.689 -31.622 -19.165 1.00 31.53 ATOM 537 CE1 TYR 32 6.154 -28.681 -19.347 1.00 31.02 ATOM 538 HE1 TYR 32 6.851 -27.855 -19.398 1.00 63.34 ATOM 539 CE2 TYR 32 4.139 -29.743 -20.077 1.00 12.00 ATOM 540 HE2 TYR 32 3.254 -29.750 -20.697 1.00 73.24 ATOM 541 CZ TYR 32 5.024 -28.689 -20.138 1.00 55.42 ATOM 542 OH TYR 32 4.776 -27.636 -20.988 1.00 21.30 ATOM 543 HH TYR 32 3.843 -27.409 -20.957 1.00 12.35 ATOM 544 C TYR 32 6.613 -34.285 -16.995 1.00 23.14 ATOM 545 O TYR 32 5.859 -34.480 -16.038 1.00 64.44 ATOM 546 N GLU 33 7.770 -34.932 -17.123 1.00 31.21 ATOM 547 HN GLU 33 8.320 -34.778 -17.923 1.00 37.82 ATOM 548 CA GLU 33 8.233 -35.881 -16.097 1.00 52.35 ATOM 549 HA GLU 33 7.459 -35.950 -15.344 1.00 42.42 ATOM 550 CB GLU 33 8.444 -37.274 -16.700 1.00 61.21 ATOM 551 HB1 GLU 33 7.545 -37.561 -17.228 1.00 37.82 ATOM 552 HB2 GLU 33 8.611 -37.976 -15.897 1.00 2.24 ATOM 553 CG GLU 33 9.615 -37.375 -17.670 1.00 3.41 ATOM 554 HG1 GLU 33 10.517 -37.062 -17.163 1.00 37.82 ATOM 555 HG2 GLU 33 9.430 -36.718 -18.506 1.00 42.13 ATOM 556 CD GLU 33 9.809 -38.793 -18.188 1.00 73.23 ATOM 557 OE1 GLU 33 10.565 -39.567 -17.562 1.00 23.40 ATOM 558 OE2 GLU 33 9.178 -39.154 -19.205 1.00 61.22 ATOM 559 C GLU 33 9.527 -35.412 -15.412 1.00 62.42 ATOM 560 O GLU 33 10.199 -34.498 -15.884 1.00 12.31 ATOM 561 N LEU 34 9.866 -36.058 -14.296 1.00 22.42 ATOM 562 HN LEU 34 9.295 -36.788 -13.985 1.00 37.82 ATOM 563 CA LEU 34 11.071 -35.716 -13.528 1.00 51.35 ATOM 564 HA LEU 34 11.327 -34.688 -13.747 1.00 73.42 ATOM 565 CB LEU 34 10.793 -35.849 -12.020 1.00 3.11 ATOM 566 HB1 LEU 34 10.480 -36.865 -11.823 1.00 37.82 ATOM 567 HB2 LEU 34 9.976 -35.187 -11.768 1.00 11.30 ATOM 568 CG LEU 34 11.985 -35.525 -11.096 1.00 0.41 ATOM 569 HG LEU 34 12.827 -36.138 -11.386 1.00 2.34 ATOM 570 CD1 LEU 34 12.411 -34.064 -11.242 1.00 0.23 ATOM 571 HD11 LEU 34 12.714 -33.877 -12.262 1.00 54.44 ATOM 572 HD12 LEU 34 13.242 -33.863 -10.580 1.00 65.53 ATOM 573 HD13 LEU 34 11.584 -33.416 -10.990 1.00 34.32 ATOM 574 CD2 LEU 34 11.648 -35.851 -9.639 1.00 12.13 ATOM 575 HD21 LEU 34 10.809 -35.250 -9.316 1.00 12.05 ATOM 576 HD22 LEU 34 12.503 -35.638 -9.013 1.00 13.41 ATOM 577 HD23 LEU 34 11.396 -36.898 -9.554 1.00 23.51 ATOM 578 C LEU 34 12.253 -36.616 -13.924 1.00 2.52 ATOM 579 O LEU 34 12.200 -37.839 -13.767 1.00 12.55 ATOM 580 N ILE 35 13.314 -36.001 -14.439 1.00 23.33 ATOM 581 HN ILE 35 13.285 -35.030 -14.555 1.00 37.82 ATOM 582 CA ILE 35 14.518 -36.729 -14.848 1.00 24.32 ATOM 583 HA ILE 35 14.218 -37.719 -15.172 1.00 32.21 ATOM 584 CB ILE 35 15.219 -36.024 -16.038 1.00 24.03 ATOM 585 HB ILE 35 15.527 -35.041 -15.707 1.00 71.10 ATOM 586 CG1 ILE 35 14.248 -35.868 -17.219 1.00 4.20 ATOM 587 HG11 ILE 35 14.764 -35.390 -18.040 1.00 37.82 ATOM 588 HG12 ILE 35 13.417 -35.244 -16.915 1.00 21.14 ATOM 589 CG2 ILE 35 16.472 -36.790 -16.468 1.00 45.23 ATOM 590 HG21 ILE 35 16.941 -36.278 -17.295 1.00 11.34 ATOM 591 HG22 ILE 35 16.201 -37.792 -16.773 1.00 21.42 ATOM 592 HG23 ILE 35 17.166 -36.843 -15.640 1.00 73.01 ATOM 593 CD1 ILE 35 13.683 -37.180 -17.726 1.00 55.32 ATOM 594 HD11 ILE 35 13.098 -37.645 -16.946 1.00 61.12 ATOM 595 HD12 ILE 35 14.493 -37.837 -18.007 1.00 25.05 ATOM 596 HD13 ILE 35 13.055 -36.994 -18.584 1.00 31.42 ATOM 597 C ILE 35 15.518 -36.868 -13.689 1.00 3.20 ATOM 598 O ILE 35 15.941 -37.976 -13.354 1.00 51.01 ATOM 599 N SER 36 15.890 -35.744 -13.074 1.00 30.21 ATOM 600 HN SER 36 15.476 -34.895 -13.342 1.00 37.82 ATOM 601 CA SER 36 16.893 -35.747 -11.995 1.00 33.45 ATOM 602 HA SER 36 16.981 -36.761 -11.628 1.00 13.02 ATOM 603 CB SER 36 18.261 -35.300 -12.530 1.00 11.50 ATOM 604 HB1 SER 36 18.173 -34.312 -12.960 1.00 37.82 ATOM 605 HB2 SER 36 18.590 -35.993 -13.290 1.00 53.42 ATOM 606 OG SER 36 19.239 -35.262 -11.499 1.00 11.41 ATOM 607 HG SER 36 19.997 -35.801 -11.758 1.00 12.11 ATOM 608 C SER 36 16.481 -34.847 -10.825 1.00 1.45 ATOM 609 O SER 36 15.702 -33.908 -10.989 1.00 13.03 ATOM 610 N GLU 37 17.026 -35.140 -9.647 1.00 74.23 ATOM 611 HN GLU 37 17.664 -35.883 -9.597 1.00 37.82 ATOM 612 CA GLU 37 16.722 -34.392 -8.422 1.00 74.01 ATOM 613 HA GLU 37 16.575 -33.354 -8.692 1.00 13.40 ATOM 614 CB GLU 37 15.424 -34.937 -7.789 1.00 20.14 ATOM 615 HB1 GLU 37 15.527 -36.006 -7.664 1.00 37.82 ATOM 616 HB2 GLU 37 14.607 -34.751 -8.472 1.00 45.34 ATOM 617 CG GLU 37 15.050 -34.331 -6.430 1.00 61.45 ATOM 618 HG1 GLU 37 13.978 -34.403 -6.304 1.00 37.82 ATOM 619 HG2 GLU 37 15.335 -33.289 -6.427 1.00 33.33 ATOM 620 CD GLU 37 15.721 -35.022 -5.247 1.00 65.42 ATOM 621 OE1 GLU 37 15.529 -36.249 -5.081 1.00 72.23 ATOM 622 OE2 GLU 37 16.423 -34.344 -4.465 1.00 62.55 ATOM 623 C GLU 37 17.898 -34.485 -7.439 1.00 73.31 ATOM 624 O GLU 37 18.256 -35.575 -6.986 1.00 53.52 ATOM 625 N THR 38 18.511 -33.343 -7.125 1.00 61.42 ATOM 626 HN THR 38 18.189 -32.504 -7.521 1.00 37.82 ATOM 627 CA THR 38 19.659 -33.307 -6.204 1.00 41.33 ATOM 628 HA THR 38 19.629 -34.211 -5.608 1.00 51.14 ATOM 629 CB THR 38 21.016 -33.281 -6.959 1.00 65.14 ATOM 630 HB THR 38 21.806 -33.104 -6.240 1.00 51.41 ATOM 631 OG1 THR 38 21.030 -32.217 -7.926 1.00 61.53 ATOM 632 HG1 THR 38 21.351 -31.408 -7.504 1.00 32.52 ATOM 633 CG2 THR 38 21.291 -34.611 -7.658 1.00 31.43 ATOM 634 HG21 THR 38 22.251 -34.566 -8.153 1.00 61.25 ATOM 635 HG22 THR 38 20.519 -34.799 -8.388 1.00 64.14 ATOM 636 HG23 THR 38 21.300 -35.409 -6.929 1.00 72.25 ATOM 637 C THR 38 19.607 -32.105 -5.253 1.00 50.11 ATOM 638 O THR 38 19.177 -31.010 -5.623 1.00 35.31 ATOM 639 N GLY 39 20.069 -32.327 -4.024 1.00 0.34 ATOM 640 HN GLY 39 20.400 -33.221 -3.798 1.00 37.82 ATOM 641 CA GLY 39 20.100 -31.276 -3.014 1.00 62.45 ATOM 642 HA1 GLY 39 19.091 -31.090 -2.671 1.00 37.82 ATOM 643 HA2 GLY 39 20.490 -30.373 -3.461 1.00 11.43 ATOM 644 C GLY 39 20.971 -31.647 -1.817 1.00 43.22 ATOM 645 O GLY 39 21.952 -32.378 -1.965 1.00 40.04 ATOM 646 N GLY 40 20.629 -31.138 -0.634 1.00 5.34 ATOM 647 HN GLY 40 19.866 -30.522 -0.577 1.00 37.82 ATOM 648 CA GLY 40 21.375 -31.484 0.578 1.00 30.33 ATOM 649 HA1 GLY 40 21.607 -32.541 0.557 1.00 37.82 ATOM 650 HA2 GLY 40 20.749 -31.286 1.435 1.00 41.52 ATOM 651 C GLY 40 22.678 -30.700 0.740 1.00 11.24 ATOM 652 O GLY 40 23.385 -30.854 1.737 1.00 14.04 ATOM 653 N SER 41 23.001 -29.868 -0.245 1.00 34.21 ATOM 654 HN SER 41 22.421 -29.823 -1.033 1.00 37.82 ATOM 655 CA SER 41 24.205 -29.020 -0.200 1.00 51.31 ATOM 656 HA SER 41 24.839 -29.367 0.604 1.00 2.41 ATOM 657 CB SER 41 24.970 -29.128 -1.527 1.00 53.30 ATOM 658 HB1 SER 41 25.266 -30.155 -1.689 1.00 37.82 ATOM 659 HB2 SER 41 25.851 -28.505 -1.487 1.00 63.02 ATOM 660 OG SER 41 24.166 -28.706 -2.621 1.00 35.22 ATOM 661 HG SER 41 24.437 -27.819 -2.896 1.00 35.34 ATOM 662 C SER 41 23.830 -27.555 0.054 1.00 10.20 ATOM 663 O SER 41 24.538 -26.640 -0.368 1.00 24.13 ATOM 664 N HIS 42 22.729 -27.348 0.777 1.00 34.32 ATOM 665 HN HIS 42 22.294 -28.118 1.204 1.00 37.82 ATOM 666 CA HIS 42 22.148 -26.010 0.972 1.00 35.14 ATOM 667 HA HIS 42 21.269 -26.135 1.588 1.00 45.23 ATOM 668 CB HIS 42 23.137 -25.077 1.700 1.00 40.53 ATOM 669 HB1 HIS 42 23.935 -24.805 1.023 1.00 37.82 ATOM 670 HB2 HIS 42 23.558 -25.599 2.547 1.00 44.24 ATOM 671 CG HIS 42 22.510 -23.810 2.208 1.00 3.14 ATOM 672 ND1 HIS 42 21.735 -23.761 3.348 1.00 42.04 ATOM 673 HD1 HIS 42 21.517 -24.523 3.927 1.00 42.03 ATOM 674 CD2 HIS 42 22.542 -22.544 1.728 1.00 43.22 ATOM 675 HD2 HIS 42 23.055 -22.206 0.837 1.00 32.22 ATOM 676 CE1 HIS 42 21.321 -22.527 3.547 1.00 64.04 ATOM 677 HE1 HIS 42 20.697 -22.193 4.364 1.00 4.21 ATOM 678 NE2 HIS 42 21.796 -21.771 2.579 1.00 34.14 ATOM 679 HE2 HIS 42 21.683 -20.797 2.515 1.00 37.82 ATOM 680 C HIS 42 21.706 -25.414 -0.378 1.00 73.10 ATOM 681 O HIS 42 21.684 -24.197 -0.571 1.00 73.44 ATOM 682 N ASP 43 21.341 -26.295 -1.305 1.00 42.31 ATOM 683 HN ASP 43 21.383 -27.249 -1.089 1.00 37.82 ATOM 684 CA ASP 43 20.872 -25.895 -2.632 1.00 42.34 ATOM 685 HA ASP 43 20.312 -24.975 -2.523 1.00 31.04 ATOM 686 CB ASP 43 22.063 -25.645 -3.565 1.00 34.12 ATOM 687 HB1 ASP 43 22.655 -26.548 -3.629 1.00 37.82 ATOM 688 HB2 ASP 43 22.671 -24.851 -3.154 1.00 34.20 ATOM 689 CG ASP 43 21.628 -25.244 -4.964 1.00 72.24 ATOM 690 OD1 ASP 43 22.053 -25.902 -5.940 1.00 24.33 ATOM 691 OD2 ASP 43 20.842 -24.280 -5.091 1.00 75.21 ATOM 692 C ASP 43 19.942 -26.965 -3.224 1.00 2.34 ATOM 693 O ASP 43 20.014 -28.137 -2.852 1.00 51.10 ATOM 694 N LYS 44 19.073 -26.551 -4.142 1.00 41.31 ATOM 695 HN LYS 44 19.085 -25.607 -4.413 1.00 37.82 ATOM 696 CA LYS 44 18.108 -27.459 -4.774 1.00 74.14 ATOM 697 HA LYS 44 18.319 -28.464 -4.438 1.00 72.31 ATOM 698 CB LYS 44 16.679 -27.081 -4.356 1.00 64.04 ATOM 699 HB1 LYS 44 15.979 -27.645 -4.958 1.00 37.82 ATOM 700 HB2 LYS 44 16.531 -26.028 -4.548 1.00 55.15 ATOM 701 CG LYS 44 16.362 -27.343 -2.884 1.00 52.42 ATOM 702 HG1 LYS 44 15.422 -26.869 -2.640 1.00 37.82 ATOM 703 HG2 LYS 44 17.148 -26.914 -2.277 1.00 33.21 ATOM 704 CD LYS 44 16.259 -28.837 -2.576 1.00 2.43 ATOM 705 HD1 LYS 44 17.205 -29.309 -2.800 1.00 37.82 ATOM 706 HD2 LYS 44 15.485 -29.269 -3.194 1.00 10.34 ATOM 707 CE LYS 44 15.914 -29.083 -1.112 1.00 55.53 ATOM 708 HE1 LYS 44 15.016 -28.534 -0.868 1.00 37.82 ATOM 709 HE2 LYS 44 16.728 -28.728 -0.498 1.00 24.21 ATOM 710 NZ LYS 44 15.689 -30.523 -0.823 1.00 22.35 ATOM 711 HZ1 LYS 44 15.597 -30.671 0.205 1.00 10.11 ATOM 712 HZ2 LYS 44 16.485 -31.093 -1.174 1.00 64.34 ATOM 713 HZ3 LYS 44 14.820 -30.851 -1.286 1.00 51.30 ATOM 714 C LYS 44 18.222 -27.415 -6.304 1.00 62.22 ATOM 715 O LYS 44 18.319 -26.341 -6.902 1.00 73.11 ATOM 716 N ARG 45 18.202 -28.585 -6.934 1.00 10.21 ATOM 717 HN ARG 45 18.180 -29.413 -6.405 1.00 37.82 ATOM 718 CA ARG 45 18.216 -28.670 -8.395 1.00 5.14 ATOM 719 HA ARG 45 17.852 -27.729 -8.783 1.00 74.12 ATOM 720 CB ARG 45 19.637 -28.904 -8.920 1.00 61.04 ATOM 721 HB1 ARG 45 19.993 -29.856 -8.549 1.00 37.82 ATOM 722 HB2 ARG 45 20.282 -28.119 -8.549 1.00 34.31 ATOM 723 CG ARG 45 19.725 -28.918 -10.446 1.00 52.42 ATOM 724 HG1 ARG 45 19.634 -27.903 -10.811 1.00 37.82 ATOM 725 HG2 ARG 45 18.913 -29.514 -10.839 1.00 61.52 ATOM 726 CD ARG 45 21.043 -29.503 -10.932 1.00 52.13 ATOM 727 HD1 ARG 45 21.851 -28.867 -10.599 1.00 37.82 ATOM 728 HD2 ARG 45 21.034 -29.539 -12.012 1.00 22.55 ATOM 729 NE ARG 45 21.251 -30.851 -10.406 1.00 13.23 ATOM 730 HE ARG 45 21.315 -30.947 -9.435 1.00 3.22 ATOM 731 CZ ARG 45 21.337 -31.929 -11.131 1.00 15.23 ATOM 732 NH1 ARG 45 21.314 -31.871 -12.424 1.00 10.43 ATOM 733 HH11 ARG 45 21.236 -30.989 -12.884 1.00 55.55 ATOM 734 HH12 ARG 45 21.375 -32.710 -12.962 1.00 53.12 ATOM 735 NH2 ARG 45 21.461 -33.075 -10.554 1.00 11.15 ATOM 736 HH21 ARG 45 21.488 -33.125 -9.558 1.00 50.11 ATOM 737 HH22 ARG 45 21.526 -33.906 -11.102 1.00 62.42 ATOM 738 C ARG 45 17.296 -29.792 -8.890 1.00 64.00 ATOM 739 O ARG 45 17.473 -30.960 -8.538 1.00 23.45 ATOM 740 N PHE 46 16.311 -29.424 -9.700 1.00 35.21 ATOM 741 HN PHE 46 16.207 -28.475 -9.913 1.00 37.82 ATOM 742 CA PHE 46 15.373 -30.385 -10.287 1.00 40.10 ATOM 743 HA PHE 46 15.676 -31.379 -9.984 1.00 41.32 ATOM 744 CB PHE 46 13.948 -30.120 -9.777 1.00 4.00 ATOM 745 HB1 PHE 46 13.264 -30.793 -10.276 1.00 37.82 ATOM 746 HB2 PHE 46 13.671 -29.100 -10.010 1.00 73.12 ATOM 747 CG PHE 46 13.790 -30.315 -8.288 1.00 12.44 ATOM 748 CD1 PHE 46 13.164 -31.446 -7.784 1.00 14.40 ATOM 749 HD1 PHE 46 12.782 -32.190 -8.468 1.00 22.12 ATOM 750 CD2 PHE 46 14.274 -29.370 -7.393 1.00 75.12 ATOM 751 HD2 PHE 46 14.762 -28.483 -7.770 1.00 24.31 ATOM 752 CE1 PHE 46 13.025 -31.628 -6.420 1.00 14.35 ATOM 753 HE1 PHE 46 12.535 -32.514 -6.042 1.00 55.10 ATOM 754 CE2 PHE 46 14.137 -29.549 -6.031 1.00 71.44 ATOM 755 HE2 PHE 46 14.517 -28.806 -5.346 1.00 11.23 ATOM 756 CZ PHE 46 13.512 -30.679 -5.544 1.00 13.41 ATOM 757 HZ PHE 46 13.406 -30.820 -4.477 1.00 33.11 ATOM 758 C PHE 46 15.405 -30.304 -11.817 1.00 10.31 ATOM 759 O PHE 46 15.305 -29.217 -12.389 1.00 14.04 ATOM 760 N VAL 47 15.564 -31.451 -12.473 1.00 60.24 ATOM 761 HN VAL 47 15.657 -32.282 -11.960 1.00 37.82 ATOM 762 CA VAL 47 15.599 -31.512 -13.939 1.00 4.05 ATOM 763 HA VAL 47 15.632 -30.497 -14.317 1.00 75.30 ATOM 764 CB VAL 47 16.857 -32.265 -14.448 1.00 74.23 ATOM 765 HB VAL 47 16.786 -33.295 -14.120 1.00 65.15 ATOM 766 CG1 VAL 47 16.916 -32.263 -15.976 1.00 50.04 ATOM 767 HG11 VAL 47 16.975 -31.246 -16.337 1.00 32.13 ATOM 768 HG12 VAL 47 16.027 -32.733 -16.373 1.00 5.23 ATOM 769 HG13 VAL 47 17.787 -32.812 -16.304 1.00 51.45 ATOM 770 CG2 VAL 47 18.131 -31.665 -13.852 1.00 55.21 ATOM 771 HG21 VAL 47 18.106 -31.762 -12.776 1.00 54.11 ATOM 772 HG22 VAL 47 18.199 -30.620 -14.116 1.00 60.35 ATOM 773 HG23 VAL 47 18.994 -32.189 -14.240 1.00 11.15 ATOM 774 C VAL 47 14.345 -32.207 -14.488 1.00 72.33 ATOM 775 O VAL 47 14.144 -33.404 -14.272 1.00 45.12 ATOM 776 N MET 48 13.515 -31.454 -15.203 1.00 62.55 ATOM 777 HN MET 48 13.752 -30.518 -15.368 1.00 37.82 ATOM 778 CA MET 48 12.263 -31.977 -15.767 1.00 75.10 ATOM 779 HA MET 48 12.073 -32.950 -15.334 1.00 72.15 ATOM 780 CB MET 48 11.102 -31.034 -15.414 1.00 70.05 ATOM 781 HB1 MET 48 10.188 -31.437 -15.827 1.00 37.82 ATOM 782 HB2 MET 48 11.291 -30.069 -15.862 1.00 71.15 ATOM 783 CG MET 48 10.902 -30.835 -13.915 1.00 2.41 ATOM 784 HG1 MET 48 10.197 -30.029 -13.764 1.00 37.82 ATOM 785 HG2 MET 48 11.849 -30.564 -13.474 1.00 34.13 ATOM 786 SD MET 48 10.284 -32.312 -13.082 1.00 72.23 ATOM 787 CE MET 48 8.635 -32.430 -13.770 1.00 52.31 ATOM 788 HE1 MET 48 8.082 -31.532 -13.538 1.00 30.22 ATOM 789 HE2 MET 48 8.130 -33.282 -13.343 1.00 60.14 ATOM 790 HE3 MET 48 8.701 -32.549 -14.843 1.00 32.21 ATOM 791 C MET 48 12.364 -32.123 -17.294 1.00 71.43 ATOM 792 O MET 48 13.158 -31.438 -17.938 1.00 32.43 ATOM 793 N GLU 49 11.561 -33.015 -17.867 1.00 63.44 ATOM 794 HN GLU 49 10.976 -33.560 -17.299 1.00 37.82 ATOM 795 CA GLU 49 11.527 -33.208 -19.324 1.00 51.31 ATOM 796 HA GLU 49 12.078 -32.394 -19.779 1.00 64.34 ATOM 797 CB GLU 49 12.199 -34.536 -19.711 1.00 31.20 ATOM 798 HB1 GLU 49 11.688 -35.345 -19.206 1.00 37.82 ATOM 799 HB2 GLU 49 13.227 -34.513 -19.381 1.00 62.35 ATOM 800 CG GLU 49 12.186 -34.824 -21.211 1.00 21.05 ATOM 801 HG1 GLU 49 12.602 -33.971 -21.731 1.00 37.82 ATOM 802 HG2 GLU 49 11.162 -34.967 -21.526 1.00 24.24 ATOM 803 CD GLU 49 12.986 -36.066 -21.586 1.00 71.54 ATOM 804 OE1 GLU 49 14.092 -35.922 -22.157 1.00 52.23 ATOM 805 OE2 GLU 49 12.517 -37.188 -21.312 1.00 55.52 ATOM 806 C GLU 49 10.090 -33.177 -19.853 1.00 21.12 ATOM 807 O GLU 49 9.193 -33.797 -19.279 1.00 32.22 ATOM 808 N VAL 50 9.877 -32.445 -20.945 1.00 20.13 ATOM 809 HN VAL 50 10.625 -31.951 -21.337 1.00 37.82 ATOM 810 CA VAL 50 8.560 -32.361 -21.576 1.00 54.31 ATOM 811 HA VAL 50 7.864 -32.912 -20.955 1.00 74.14 ATOM 812 CB VAL 50 8.060 -30.894 -21.668 1.00 53.02 ATOM 813 HB VAL 50 7.978 -30.506 -20.661 1.00 51.54 ATOM 814 CG1 VAL 50 9.049 -30.014 -22.431 1.00 15.44 ATOM 815 HG11 VAL 50 8.694 -28.992 -22.439 1.00 63.14 ATOM 816 HG12 VAL 50 9.140 -30.369 -23.448 1.00 23.03 ATOM 817 HG13 VAL 50 10.016 -30.053 -21.949 1.00 41.54 ATOM 818 CG2 VAL 50 6.671 -30.836 -22.309 1.00 2.41 ATOM 819 HG21 VAL 50 6.342 -29.808 -22.365 1.00 64.25 ATOM 820 HG22 VAL 50 5.970 -31.403 -21.712 1.00 64.33 ATOM 821 HG23 VAL 50 6.713 -31.253 -23.305 1.00 32.10 ATOM 822 C VAL 50 8.563 -32.986 -22.980 1.00 21.33 ATOM 823 O VAL 50 9.383 -32.640 -23.833 1.00 52.01 ATOM 824 N GLU 51 7.651 -33.927 -23.204 1.00 60.03 ATOM 825 HN GLU 51 7.107 -34.245 -22.456 1.00 37.82 ATOM 826 CA GLU 51 7.453 -34.512 -24.530 1.00 24.10 ATOM 827 HA GLU 51 8.415 -34.542 -25.025 1.00 32.44 ATOM 828 CB GLU 51 6.924 -35.950 -24.390 1.00 63.24 ATOM 829 HB1 GLU 51 5.967 -35.921 -23.888 1.00 37.82 ATOM 830 HB2 GLU 51 7.618 -36.509 -23.776 1.00 5.41 ATOM 831 CG GLU 51 6.753 -36.702 -25.712 1.00 15.01 ATOM 832 HG1 GLU 51 6.864 -37.758 -25.524 1.00 37.82 ATOM 833 HG2 GLU 51 7.531 -36.384 -26.392 1.00 64.40 ATOM 834 CD GLU 51 5.405 -36.466 -26.379 1.00 34.43 ATOM 835 OE1 GLU 51 4.399 -37.048 -25.924 1.00 20.21 ATOM 836 OE2 GLU 51 5.347 -35.712 -27.369 1.00 22.44 ATOM 837 C GLU 51 6.501 -33.636 -25.361 1.00 73.30 ATOM 838 O GLU 51 5.336 -33.452 -25.001 1.00 73.32 ATOM 839 N VAL 52 7.015 -33.093 -26.466 1.00 32.32 ATOM 840 HN VAL 52 7.931 -33.324 -26.717 1.00 37.82 ATOM 841 CA VAL 52 6.258 -32.167 -27.319 1.00 42.01 ATOM 842 HA VAL 52 5.242 -32.122 -26.950 1.00 33.40 ATOM 843 CB VAL 52 6.859 -30.738 -27.264 1.00 24.04 ATOM 844 HB VAL 52 7.855 -30.775 -27.688 1.00 33.32 ATOM 845 CG1 VAL 52 6.031 -29.762 -28.095 1.00 2.14 ATOM 846 HG11 VAL 52 6.010 -30.089 -29.125 1.00 72.31 ATOM 847 HG12 VAL 52 6.474 -28.778 -28.041 1.00 30.12 ATOM 848 HG13 VAL 52 5.021 -29.723 -27.711 1.00 74.01 ATOM 849 CG2 VAL 52 6.978 -30.253 -25.824 1.00 13.13 ATOM 850 HG21 VAL 52 5.996 -30.215 -25.372 1.00 33.23 ATOM 851 HG22 VAL 52 7.419 -29.267 -25.810 1.00 22.04 ATOM 852 HG23 VAL 52 7.604 -30.934 -25.264 1.00 52.53 ATOM 853 C VAL 52 6.237 -32.639 -28.783 1.00 21.21 ATOM 854 O VAL 52 7.244 -32.543 -29.492 1.00 31.00 ATOM 855 N ASP 53 5.090 -33.155 -29.221 1.00 55.01 ATOM 856 HN ASP 53 4.336 -33.205 -28.601 1.00 37.82 ATOM 857 CA ASP 53 4.906 -33.645 -30.595 1.00 2.32 ATOM 858 HA ASP 53 3.915 -34.072 -30.655 1.00 71.00 ATOM 859 CB ASP 53 5.000 -32.469 -31.581 1.00 13.12 ATOM 860 HB1 ASP 53 6.041 -32.241 -31.761 1.00 37.82 ATOM 861 HB2 ASP 53 4.522 -31.604 -31.142 1.00 21.42 ATOM 862 CG ASP 53 4.328 -32.765 -32.911 1.00 74.04 ATOM 863 OD1 ASP 53 5.032 -33.069 -33.896 1.00 45.13 ATOM 864 OD2 ASP 53 3.083 -32.691 -32.979 1.00 4.01 ATOM 865 C ASP 53 5.933 -34.751 -30.944 1.00 31.34 ATOM 866 O ASP 53 6.188 -35.048 -32.114 1.00 74.02 ATOM 867 N GLY 54 6.498 -35.379 -29.914 1.00 33.01 ATOM 868 HN GLY 54 6.220 -35.141 -29.004 1.00 37.82 ATOM 869 CA GLY 54 7.501 -36.421 -30.113 1.00 53.34 ATOM 870 HA1 GLY 54 7.517 -36.702 -31.157 1.00 37.82 ATOM 871 HA2 GLY 54 7.219 -37.283 -29.529 1.00 13.43 ATOM 872 C GLY 54 8.904 -35.990 -29.696 1.00 62.11 ATOM 873 O GLY 54 9.772 -36.828 -29.447 1.00 31.20 ATOM 874 N GLN 55 9.125 -34.683 -29.615 1.00 54.35 ATOM 875 HN GLN 55 8.384 -34.069 -29.802 1.00 37.82 ATOM 876 CA GLN 55 10.435 -34.125 -29.252 1.00 13.45 ATOM 877 HA GLN 55 11.197 -34.840 -29.536 1.00 35.41 ATOM 878 CB GLN 55 10.666 -32.819 -30.025 1.00 45.43 ATOM 879 HB1 GLN 55 11.640 -32.427 -29.762 1.00 37.82 ATOM 880 HB2 GLN 55 9.910 -32.103 -29.733 1.00 34.21 ATOM 881 CG GLN 55 10.611 -32.987 -31.544 1.00 74.42 ATOM 882 HG1 GLN 55 9.731 -33.561 -31.800 1.00 37.82 ATOM 883 HG2 GLN 55 11.492 -33.526 -31.863 1.00 4.12 ATOM 884 CD GLN 55 10.559 -31.660 -32.288 1.00 23.34 ATOM 885 OE1 GLN 55 11.583 -31.083 -32.640 1.00 25.25 ATOM 886 NE2 GLN 55 9.361 -31.173 -32.541 1.00 43.10 ATOM 887 HE21 GLN 55 8.581 -31.683 -32.242 1.00 15.10 ATOM 888 HE22 GLN 55 9.303 -30.323 -33.018 1.00 54.32 ATOM 889 C GLN 55 10.524 -33.867 -27.736 1.00 25.11 ATOM 890 O GLN 55 9.702 -33.145 -27.178 1.00 2.42 ATOM 891 N LYS 56 11.519 -34.457 -27.074 1.00 14.31 ATOM 892 HN LYS 56 12.175 -34.988 -27.576 1.00 37.82 ATOM 893 CA LYS 56 11.670 -34.325 -25.614 1.00 32.54 ATOM 894 HA LYS 56 10.701 -34.069 -25.205 1.00 20.44 ATOM 895 CB LYS 56 12.129 -35.654 -24.991 1.00 5.14 ATOM 896 HB1 LYS 56 12.387 -35.478 -23.956 1.00 37.82 ATOM 897 HB2 LYS 56 13.012 -35.992 -25.514 1.00 11.42 ATOM 898 CG LYS 56 11.090 -36.778 -25.037 1.00 14.44 ATOM 899 HG1 LYS 56 10.140 -36.386 -24.695 1.00 37.82 ATOM 900 HG2 LYS 56 11.407 -37.571 -24.375 1.00 22.35 ATOM 901 CD LYS 56 10.911 -37.354 -26.439 1.00 13.41 ATOM 902 HD1 LYS 56 11.868 -37.706 -26.798 1.00 37.82 ATOM 903 HD2 LYS 56 10.544 -36.577 -27.096 1.00 54.35 ATOM 904 CE LYS 56 9.922 -38.516 -26.451 1.00 52.24 ATOM 905 HE1 LYS 56 8.960 -38.158 -26.116 1.00 37.82 ATOM 906 HE2 LYS 56 10.275 -39.282 -25.775 1.00 2.22 ATOM 907 NZ LYS 56 9.770 -39.105 -27.806 1.00 0.53 ATOM 908 HZ1 LYS 56 9.518 -38.371 -28.494 1.00 64.31 ATOM 909 HZ2 LYS 56 9.020 -39.827 -27.803 1.00 23.13 ATOM 910 HZ3 LYS 56 10.662 -39.553 -28.109 1.00 42.02 ATOM 911 C LYS 56 12.664 -33.212 -25.239 1.00 21.53 ATOM 912 O LYS 56 13.831 -33.245 -25.641 1.00 71.32 ATOM 913 N PHE 57 12.199 -32.236 -24.456 1.00 1.01 ATOM 914 HN PHE 57 11.264 -32.274 -24.157 1.00 37.82 ATOM 915 CA PHE 57 13.035 -31.102 -24.032 1.00 51.35 ATOM 916 HA PHE 57 14.008 -31.214 -24.491 1.00 34.33 ATOM 917 CB PHE 57 12.412 -29.784 -24.508 1.00 63.24 ATOM 918 HB1 PHE 57 13.058 -28.964 -24.222 1.00 37.82 ATOM 919 HB2 PHE 57 11.449 -29.654 -24.035 1.00 71.12 ATOM 920 CG PHE 57 12.208 -29.716 -26.001 1.00 32.52 ATOM 921 CD1 PHE 57 10.980 -30.034 -26.565 1.00 61.14 ATOM 922 HD1 PHE 57 10.162 -30.330 -25.923 1.00 35.21 ATOM 923 CD2 PHE 57 13.246 -29.337 -26.841 1.00 41.34 ATOM 924 HD2 PHE 57 14.208 -29.088 -26.415 1.00 2.31 ATOM 925 CE1 PHE 57 10.792 -29.972 -27.932 1.00 43.41 ATOM 926 HE1 PHE 57 9.831 -30.222 -28.358 1.00 21.21 ATOM 927 CE2 PHE 57 13.063 -29.275 -28.208 1.00 4.31 ATOM 928 HE2 PHE 57 13.880 -28.980 -28.850 1.00 62.44 ATOM 929 CZ PHE 57 11.835 -29.593 -28.754 1.00 24.32 ATOM 930 HZ PHE 57 11.689 -29.545 -29.824 1.00 54.12 ATOM 931 C PHE 57 13.214 -31.072 -22.503 1.00 35.34 ATOM 932 O PHE 57 12.240 -31.140 -21.755 1.00 54.24 ATOM 933 N GLN 58 14.462 -30.961 -22.047 1.00 53.25 ATOM 934 HN GLN 58 15.196 -30.878 -22.688 1.00 37.82 ATOM 935 CA GLN 58 14.768 -30.953 -20.606 1.00 32.44 ATOM 936 HA GLN 58 13.880 -31.279 -20.082 1.00 44.23 ATOM 937 CB GLN 58 15.906 -31.936 -20.288 1.00 22.44 ATOM 938 HB1 GLN 58 16.275 -31.735 -19.291 1.00 37.82 ATOM 939 HB2 GLN 58 16.711 -31.781 -20.995 1.00 53.14 ATOM 940 CG GLN 58 15.488 -33.400 -20.353 1.00 42.15 ATOM 941 HG1 GLN 58 15.100 -33.608 -21.340 1.00 37.82 ATOM 942 HG2 GLN 58 14.707 -33.568 -19.623 1.00 44.24 ATOM 943 CD GLN 58 16.628 -34.364 -20.063 1.00 32.10 ATOM 944 OE1 GLN 58 17.567 -34.044 -19.342 1.00 52.33 ATOM 945 NE2 GLN 58 16.550 -35.556 -20.611 1.00 42.21 ATOM 946 HE21 GLN 58 15.768 -35.759 -21.166 1.00 41.12 ATOM 947 HE22 GLN 58 17.273 -36.192 -20.436 1.00 33.55 ATOM 948 C GLN 58 15.141 -29.551 -20.094 1.00 23.01 ATOM 949 O GLN 58 15.718 -28.737 -20.817 1.00 54.51 ATOM 950 N GLY 59 14.808 -29.293 -18.829 1.00 70.31 ATOM 951 HN GLY 59 14.315 -29.973 -18.322 1.00 37.82 ATOM 952 CA GLY 59 15.147 -28.027 -18.184 1.00 42.41 ATOM 953 HA1 GLY 59 14.329 -27.336 -18.320 1.00 37.82 ATOM 954 HA2 GLY 59 16.032 -27.618 -18.651 1.00 22.24 ATOM 955 C GLY 59 15.409 -28.192 -16.687 1.00 10.52 ATOM 956 O GLY 59 14.751 -28.993 -16.021 1.00 73.32 ATOM 957 N ALA 60 16.366 -27.433 -16.151 1.00 41.23 ATOM 958 HN ALA 60 16.818 -26.770 -16.711 1.00 37.82 ATOM 959 CA ALA 60 16.756 -27.562 -14.738 1.00 52.14 ATOM 960 HA ALA 60 16.124 -28.316 -14.285 1.00 74.34 ATOM 961 CB ALA 60 18.201 -28.042 -14.636 1.00 10.14 ATOM 962 HB1 ALA 60 18.861 -27.299 -15.061 1.00 23.23 ATOM 963 HB2 ALA 60 18.313 -28.972 -15.174 1.00 55.00 ATOM 964 HB3 ALA 60 18.458 -28.197 -13.597 1.00 75.44 ATOM 965 C ALA 60 16.580 -26.245 -13.964 1.00 10.41 ATOM 966 O ALA 60 16.982 -25.181 -14.433 1.00 4.51 ATOM 967 N GLY 61 15.981 -26.330 -12.773 1.00 54.11 ATOM 968 HN GLY 61 15.656 -27.204 -12.467 1.00 37.82 ATOM 969 CA GLY 61 15.796 -25.149 -11.923 1.00 73.25 ATOM 970 HA1 GLY 61 14.832 -24.713 -12.140 1.00 37.82 ATOM 971 HA2 GLY 61 16.566 -24.424 -12.150 1.00 60.34 ATOM 972 C GLY 61 15.858 -25.479 -10.431 1.00 61.34 ATOM 973 O GLY 61 15.970 -26.643 -10.055 1.00 24.30 ATOM 974 N SER 62 15.772 -24.456 -9.576 1.00 53.45 ATOM 975 HN SER 62 15.679 -23.547 -9.932 1.00 37.82 ATOM 976 CA SER 62 15.849 -24.648 -8.112 1.00 2.41 ATOM 977 HA SER 62 16.740 -25.224 -7.909 1.00 4.10 ATOM 978 CB SER 62 15.974 -23.293 -7.399 1.00 74.14 ATOM 979 HB1 SER 62 15.970 -23.450 -6.331 1.00 37.82 ATOM 980 HB2 SER 62 15.134 -22.669 -7.672 1.00 71.30 ATOM 981 OG SER 62 17.175 -22.618 -7.757 1.00 63.25 ATOM 982 HG SER 62 17.838 -23.264 -8.039 1.00 50.35 ATOM 983 C SER 62 14.640 -25.417 -7.547 1.00 63.23 ATOM 984 O SER 62 14.611 -25.759 -6.364 1.00 13.43 ATOM 985 N ASN 63 13.640 -25.670 -8.386 1.00 14.50 ATOM 986 HN ASN 63 13.691 -25.323 -9.300 1.00 37.82 ATOM 987 CA ASN 63 12.465 -26.460 -7.994 1.00 34.43 ATOM 988 HA ASN 63 12.817 -27.302 -7.414 1.00 10.05 ATOM 989 CB ASN 63 11.508 -25.630 -7.131 1.00 2.25 ATOM 990 HB1 ASN 63 12.005 -25.365 -6.208 1.00 37.82 ATOM 991 HB2 ASN 63 10.632 -26.221 -6.903 1.00 33.42 ATOM 992 CG ASN 63 11.062 -24.358 -7.819 1.00 1.34 ATOM 993 OD1 ASN 63 10.098 -24.349 -8.576 1.00 62.41 ATOM 994 ND2 ASN 63 11.755 -23.271 -7.556 1.00 24.13 ATOM 995 HD21 ASN 63 12.509 -23.343 -6.938 1.00 12.15 ATOM 996 HD22 ASN 63 11.477 -22.433 -7.981 1.00 13.12 ATOM 997 C ASN 63 11.730 -26.992 -9.231 1.00 31.21 ATOM 998 O ASN 63 11.967 -26.524 -10.346 1.00 0.03 ATOM 999 N LYS 64 10.828 -27.956 -9.028 1.00 13.15 ATOM 1000 HN LYS 64 10.655 -28.262 -8.108 1.00 37.82 ATOM 1001 CA LYS 64 10.090 -28.576 -10.141 1.00 11.41 ATOM 1002 HA LYS 64 10.820 -29.028 -10.800 1.00 72.40 ATOM 1003 CB LYS 64 9.148 -29.675 -9.630 1.00 55.34 ATOM 1004 HB1 LYS 64 8.540 -30.023 -10.455 1.00 37.82 ATOM 1005 HB2 LYS 64 8.500 -29.257 -8.872 1.00 60.02 ATOM 1006 CG LYS 64 9.871 -30.876 -9.032 1.00 54.42 ATOM 1007 HG1 LYS 64 10.440 -30.550 -8.173 1.00 37.82 ATOM 1008 HG2 LYS 64 10.540 -31.288 -9.775 1.00 2.11 ATOM 1009 CD LYS 64 8.889 -31.959 -8.598 1.00 71.13 ATOM 1010 HD1 LYS 64 8.319 -32.280 -9.460 1.00 37.82 ATOM 1011 HD2 LYS 64 8.218 -31.548 -7.857 1.00 22.43 ATOM 1012 CE LYS 64 9.603 -33.165 -8.001 1.00 54.23 ATOM 1013 HE1 LYS 64 10.176 -32.842 -7.143 1.00 37.82 ATOM 1014 HE2 LYS 64 10.272 -33.578 -8.743 1.00 21.10 ATOM 1015 NZ LYS 64 8.650 -34.222 -7.574 1.00 14.04 ATOM 1016 HZ1 LYS 64 8.087 -34.549 -8.384 1.00 11.14 ATOM 1017 HZ2 LYS 64 8.008 -33.853 -6.846 1.00 44.33 ATOM 1018 HZ3 LYS 64 9.168 -35.032 -7.177 1.00 22.43 ATOM 1019 C LYS 64 9.284 -27.550 -10.951 1.00 30.13 ATOM 1020 O LYS 64 9.170 -27.669 -12.168 1.00 52.15 ATOM 1021 N LYS 65 8.728 -26.546 -10.276 1.00 13.44 ATOM 1022 HN LYS 65 8.875 -26.480 -9.307 1.00 37.82 ATOM 1023 CA LYS 65 7.910 -25.531 -10.949 1.00 31.55 ATOM 1024 HA LYS 65 7.126 -26.044 -11.489 1.00 50.11 ATOM 1025 CB LYS 65 7.268 -24.592 -9.915 1.00 71.50 ATOM 1026 HB1 LYS 65 6.572 -23.940 -10.425 1.00 37.82 ATOM 1027 HB2 LYS 65 8.045 -23.986 -9.472 1.00 53.03 ATOM 1028 CG LYS 65 6.513 -25.292 -8.775 1.00 63.12 ATOM 1029 HG1 LYS 65 6.168 -24.536 -8.082 1.00 37.82 ATOM 1030 HG2 LYS 65 7.197 -25.952 -8.263 1.00 21.21 ATOM 1031 CD LYS 65 5.303 -26.111 -9.253 1.00 62.50 ATOM 1032 HD1 LYS 65 4.865 -25.621 -10.113 1.00 37.82 ATOM 1033 HD2 LYS 65 4.572 -26.148 -8.457 1.00 32.35 ATOM 1034 CE LYS 65 5.672 -27.543 -9.635 1.00 34.33 ATOM 1035 HE1 LYS 65 6.145 -28.017 -8.787 1.00 37.82 ATOM 1036 HE2 LYS 65 6.365 -27.518 -10.464 1.00 62.15 ATOM 1037 NZ LYS 65 4.481 -28.341 -10.029 1.00 63.04 ATOM 1038 HZ1 LYS 65 3.802 -28.385 -9.241 1.00 42.02 ATOM 1039 HZ2 LYS 65 4.765 -29.310 -10.275 1.00 43.42 ATOM 1040 HZ3 LYS 65 4.012 -27.908 -10.848 1.00 12.54 ATOM 1041 C LYS 65 8.751 -24.721 -11.953 1.00 71.41 ATOM 1042 O LYS 65 8.408 -24.612 -13.134 1.00 51.33 ATOM 1043 N VAL 66 9.860 -24.163 -11.475 1.00 53.15 ATOM 1044 HN VAL 66 10.067 -24.261 -10.520 1.00 37.82 ATOM 1045 CA VAL 66 10.783 -23.407 -12.330 1.00 40.41 ATOM 1046 HA VAL 66 10.206 -22.650 -12.848 1.00 14.44 ATOM 1047 CB VAL 66 11.866 -22.692 -11.482 1.00 14.41 ATOM 1048 HB VAL 66 12.425 -23.445 -10.939 1.00 72.30 ATOM 1049 CG1 VAL 66 12.844 -21.921 -12.368 1.00 23.52 ATOM 1050 HG11 VAL 66 13.340 -22.606 -13.041 1.00 2.04 ATOM 1051 HG12 VAL 66 13.582 -21.430 -11.751 1.00 63.42 ATOM 1052 HG13 VAL 66 12.305 -21.181 -12.942 1.00 35.52 ATOM 1053 CG2 VAL 66 11.213 -21.755 -10.463 1.00 22.42 ATOM 1054 HG21 VAL 66 10.578 -22.326 -9.800 1.00 23.33 ATOM 1055 HG22 VAL 66 10.619 -21.015 -10.981 1.00 21.13 ATOM 1056 HG23 VAL 66 11.981 -21.260 -9.887 1.00 23.31 ATOM 1057 C VAL 66 11.456 -24.317 -13.376 1.00 53.42 ATOM 1058 O VAL 66 11.714 -23.897 -14.506 1.00 4.22 ATOM 1059 N ALA 67 11.722 -25.567 -12.994 1.00 44.04 ATOM 1060 HN ALA 67 11.509 -25.838 -12.076 1.00 37.82 ATOM 1061 CA ALA 67 12.317 -26.549 -13.908 1.00 53.40 ATOM 1062 HA ALA 67 13.240 -26.130 -14.288 1.00 42.43 ATOM 1063 CB ALA 67 12.651 -27.831 -13.156 1.00 1.30 ATOM 1064 HB1 ALA 67 11.742 -28.273 -12.774 1.00 23.50 ATOM 1065 HB2 ALA 67 13.314 -27.606 -12.332 1.00 32.02 ATOM 1066 HB3 ALA 67 13.136 -28.528 -13.825 1.00 23.21 ATOM 1067 C ALA 67 11.382 -26.845 -15.089 1.00 74.14 ATOM 1068 O ALA 67 11.811 -26.870 -16.244 1.00 44.14 ATOM 1069 N LYS 68 10.099 -27.067 -14.789 1.00 44.22 ATOM 1070 HN LYS 68 9.832 -27.114 -13.847 1.00 37.82 ATOM 1071 CA LYS 68 9.081 -27.248 -15.831 1.00 2.55 ATOM 1072 HA LYS 68 9.379 -28.094 -16.434 1.00 24.34 ATOM 1073 CB LYS 68 7.704 -27.540 -15.210 1.00 34.41 ATOM 1074 HB1 LYS 68 6.958 -27.521 -15.994 1.00 37.82 ATOM 1075 HB2 LYS 68 7.476 -26.765 -14.491 1.00 43.40 ATOM 1076 CG LYS 68 7.619 -28.888 -14.500 1.00 54.03 ATOM 1077 HG1 LYS 68 8.360 -28.915 -13.713 1.00 37.82 ATOM 1078 HG2 LYS 68 7.827 -29.674 -15.212 1.00 12.32 ATOM 1079 CD LYS 68 6.238 -29.131 -13.887 1.00 74.42 ATOM 1080 HD1 LYS 68 6.010 -28.321 -13.207 1.00 37.82 ATOM 1081 HD2 LYS 68 6.257 -30.064 -13.340 1.00 65.24 ATOM 1082 CE LYS 68 5.146 -29.209 -14.950 1.00 22.31 ATOM 1083 HE1 LYS 68 5.420 -29.961 -15.676 1.00 37.82 ATOM 1084 HE2 LYS 68 5.068 -28.249 -15.440 1.00 13.00 ATOM 1085 NZ LYS 68 3.823 -29.560 -14.369 1.00 43.34 ATOM 1086 HZ1 LYS 68 3.477 -28.791 -13.765 1.00 42.41 ATOM 1087 HZ2 LYS 68 3.903 -30.423 -13.797 1.00 10.32 ATOM 1088 HZ3 LYS 68 3.130 -29.733 -15.127 1.00 71.22 ATOM 1089 C LYS 68 8.995 -26.011 -16.734 1.00 3.30 ATOM 1090 O LYS 68 8.755 -26.127 -17.935 1.00 64.31 ATOM 1091 N ALA 69 9.189 -24.828 -16.147 1.00 30.41 ATOM 1092 HN ALA 69 9.289 -24.791 -15.169 1.00 37.82 ATOM 1093 CA ALA 69 9.236 -23.584 -16.919 1.00 43.22 ATOM 1094 HA ALA 69 8.303 -23.500 -17.463 1.00 52.52 ATOM 1095 CB ALA 69 9.345 -22.383 -15.983 1.00 64.44 ATOM 1096 HB1 ALA 69 9.350 -21.472 -16.563 1.00 70.23 ATOM 1097 HB2 ALA 69 10.259 -22.452 -15.411 1.00 43.51 ATOM 1098 HB3 ALA 69 8.500 -22.375 -15.309 1.00 65.05 ATOM 1099 C ALA 69 10.399 -23.595 -17.929 1.00 2.12 ATOM 1100 O ALA 69 10.225 -23.220 -19.089 1.00 71.45 ATOM 1101 N TYR 70 11.584 -24.027 -17.484 1.00 25.53 ATOM 1102 HN TYR 70 11.681 -24.253 -16.533 1.00 37.82 ATOM 1103 CA TYR 70 12.743 -24.167 -18.380 1.00 5.04 ATOM 1104 HA TYR 70 12.901 -23.208 -18.855 1.00 1.34 ATOM 1105 CB TYR 70 14.014 -24.545 -17.596 1.00 72.13 ATOM 1106 HB1 TYR 70 14.742 -24.959 -18.281 1.00 37.82 ATOM 1107 HB2 TYR 70 13.763 -25.294 -16.860 1.00 71.42 ATOM 1108 CG TYR 70 14.672 -23.382 -16.871 1.00 15.44 ATOM 1109 CD1 TYR 70 14.651 -23.286 -15.483 1.00 21.34 ATOM 1110 HD1 TYR 70 14.149 -24.053 -14.909 1.00 1.52 ATOM 1111 CD2 TYR 70 15.326 -22.381 -17.585 1.00 42.31 ATOM 1112 HD2 TYR 70 15.350 -22.436 -18.664 1.00 52.15 ATOM 1113 CE1 TYR 70 15.261 -22.229 -14.831 1.00 13.24 ATOM 1114 HE1 TYR 70 15.235 -22.174 -13.752 1.00 64.51 ATOM 1115 CE2 TYR 70 15.936 -21.322 -16.938 1.00 63.53 ATOM 1116 HE2 TYR 70 16.437 -20.557 -17.513 1.00 63.41 ATOM 1117 CZ TYR 70 15.902 -21.252 -15.562 1.00 42.31 ATOM 1118 OH TYR 70 16.510 -20.199 -14.914 1.00 1.11 ATOM 1119 HH TYR 70 17.121 -20.545 -14.248 1.00 22.04 ATOM 1120 C TYR 70 12.484 -25.211 -19.480 1.00 72.04 ATOM 1121 O TYR 70 12.778 -24.974 -20.649 1.00 12.44 ATOM 1122 N ALA 71 11.935 -26.362 -19.097 1.00 73.03 ATOM 1123 HN ALA 71 11.738 -26.500 -18.148 1.00 37.82 ATOM 1124 CA ALA 71 11.618 -27.429 -20.057 1.00 73.33 ATOM 1125 HA ALA 71 12.538 -27.714 -20.550 1.00 12.22 ATOM 1126 CB ALA 71 11.078 -28.654 -19.323 1.00 13.21 ATOM 1127 HB1 ALA 71 10.895 -29.450 -20.032 1.00 41.42 ATOM 1128 HB2 ALA 71 10.154 -28.399 -18.823 1.00 2.11 ATOM 1129 HB3 ALA 71 11.801 -28.985 -18.592 1.00 14.15 ATOM 1130 C ALA 71 10.618 -26.947 -21.120 1.00 12.11 ATOM 1131 O ALA 71 10.813 -27.163 -22.318 1.00 23.41 ATOM 1132 N ALA 72 9.554 -26.281 -20.673 1.00 34.11 ATOM 1133 HN ALA 72 9.436 -26.167 -19.708 1.00 37.82 ATOM 1134 CA ALA 72 8.553 -25.716 -21.582 1.00 51.04 ATOM 1135 HA ALA 72 8.179 -26.520 -22.201 1.00 14.44 ATOM 1136 CB ALA 72 7.383 -25.148 -20.786 1.00 11.31 ATOM 1137 HB1 ALA 72 7.729 -24.336 -20.163 1.00 1.24 ATOM 1138 HB2 ALA 72 6.960 -25.923 -20.161 1.00 62.44 ATOM 1139 HB3 ALA 72 6.626 -24.784 -21.465 1.00 35.31 ATOM 1140 C ALA 72 9.169 -24.639 -22.489 1.00 72.14 ATOM 1141 O ALA 72 8.903 -24.597 -23.692 1.00 60.34 ATOM 1142 N LEU 73 10.002 -23.774 -21.906 1.00 51.24 ATOM 1143 HN LEU 73 10.126 -23.814 -20.932 1.00 37.82 ATOM 1144 CA LEU 73 10.737 -22.764 -22.676 1.00 35.35 ATOM 1145 HA LEU 73 10.008 -22.150 -23.190 1.00 3.10 ATOM 1146 CB LEU 73 11.569 -21.869 -21.742 1.00 63.54 ATOM 1147 HB1 LEU 73 12.370 -21.424 -22.316 1.00 37.82 ATOM 1148 HB2 LEU 73 12.005 -22.495 -20.976 1.00 71.15 ATOM 1149 CG LEU 73 10.790 -20.739 -21.051 1.00 21.03 ATOM 1150 HG LEU 73 9.971 -21.165 -20.490 1.00 2.25 ATOM 1151 CD1 LEU 73 11.682 -19.979 -20.074 1.00 41.11 ATOM 1152 HD11 LEU 73 12.509 -19.536 -20.608 1.00 61.03 ATOM 1153 HD12 LEU 73 12.060 -20.661 -19.326 1.00 22.34 ATOM 1154 HD13 LEU 73 11.106 -19.201 -19.592 1.00 31.51 ATOM 1155 CD2 LEU 73 10.206 -19.789 -22.091 1.00 24.01 ATOM 1156 HD21 LEU 73 9.466 -20.309 -22.683 1.00 22.22 ATOM 1157 HD22 LEU 73 10.995 -19.431 -22.740 1.00 23.42 ATOM 1158 HD23 LEU 73 9.745 -18.950 -21.594 1.00 13.11 ATOM 1159 C LEU 73 11.646 -23.415 -23.727 1.00 42.53 ATOM 1160 O LEU 73 11.735 -22.940 -24.858 1.00 61.13 ATOM 1161 N ALA 74 12.309 -24.508 -23.351 1.00 72.23 ATOM 1162 HN ALA 74 12.217 -24.828 -22.429 1.00 37.82 ATOM 1163 CA ALA 74 13.172 -25.246 -24.279 1.00 60.14 ATOM 1164 HA ALA 74 13.978 -24.587 -24.577 1.00 50.31 ATOM 1165 CB ALA 74 13.784 -26.457 -23.584 1.00 65.14 ATOM 1166 HB1 ALA 74 13.001 -27.149 -23.311 1.00 41.44 ATOM 1167 HB2 ALA 74 14.306 -26.137 -22.693 1.00 43.50 ATOM 1168 HB3 ALA 74 14.481 -26.945 -24.251 1.00 13.14 ATOM 1169 C ALA 74 12.396 -25.678 -25.534 1.00 12.24 ATOM 1170 O ALA 74 12.931 -25.670 -26.642 1.00 53.11 ATOM 1171 N ALA 75 11.129 -26.047 -25.342 1.00 4.25 ATOM 1172 HN ALA 75 10.782 -26.085 -24.423 1.00 37.82 ATOM 1173 CA ALA 75 10.241 -26.414 -26.451 1.00 30.02 ATOM 1174 HA ALA 75 10.790 -27.070 -27.113 1.00 44.11 ATOM 1175 CB ALA 75 9.034 -27.179 -25.923 1.00 2.14 ATOM 1176 HB1 ALA 75 8.419 -27.501 -26.752 1.00 22.35 ATOM 1177 HB2 ALA 75 8.453 -26.539 -25.273 1.00 12.20 ATOM 1178 HB3 ALA 75 9.369 -28.044 -25.368 1.00 55.25 ATOM 1179 C ALA 75 9.780 -25.182 -27.245 1.00 41.11 ATOM 1180 O ALA 75 9.897 -25.140 -28.469 1.00 2.35 ATOM 1181 N LEU 76 9.258 -24.180 -26.536 1.00 10.00 ATOM 1182 HN LEU 76 9.202 -24.271 -25.560 1.00 37.82 ATOM 1183 CA LEU 76 8.761 -22.949 -27.166 1.00 21.21 ATOM 1184 HA LEU 76 7.940 -23.224 -27.812 1.00 72.32 ATOM 1185 CB LEU 76 8.240 -21.974 -26.101 1.00 51.55 ATOM 1186 HB1 LEU 76 8.092 -21.009 -26.564 1.00 37.82 ATOM 1187 HB2 LEU 76 8.999 -21.872 -25.340 1.00 74.44 ATOM 1188 CG LEU 76 6.925 -22.385 -25.417 1.00 35.23 ATOM 1189 HG LEU 76 7.048 -23.363 -24.973 1.00 33.23 ATOM 1190 CD1 LEU 76 6.566 -21.406 -24.302 1.00 10.42 ATOM 1191 HD11 LEU 76 6.454 -20.411 -24.713 1.00 5.41 ATOM 1192 HD12 LEU 76 7.351 -21.401 -23.560 1.00 61.32 ATOM 1193 HD13 LEU 76 5.638 -21.709 -23.838 1.00 20.52 ATOM 1194 CD2 LEU 76 5.791 -22.472 -26.439 1.00 41.33 ATOM 1195 HD21 LEU 76 4.868 -22.717 -25.933 1.00 12.31 ATOM 1196 HD22 LEU 76 6.017 -23.241 -27.163 1.00 64.30 ATOM 1197 HD23 LEU 76 5.683 -21.522 -26.944 1.00 14.41 ATOM 1198 C LEU 76 9.834 -22.255 -28.020 1.00 2.01 ATOM 1199 O LEU 76 9.612 -21.968 -29.190 1.00 31.41 ATOM 1200 N GLU 77 11.001 -22.006 -27.438 1.00 25.32 ATOM 1201 HN GLU 77 11.141 -22.296 -26.512 1.00 37.82 ATOM 1202 CA GLU 77 12.085 -21.301 -28.140 1.00 33.13 ATOM 1203 HA GLU 77 11.671 -20.392 -28.556 1.00 73.23 ATOM 1204 CB GLU 77 13.186 -20.924 -27.139 1.00 43.33 ATOM 1205 HB1 GLU 77 13.942 -20.341 -27.650 1.00 37.82 ATOM 1206 HB2 GLU 77 13.640 -21.830 -26.760 1.00 1.11 ATOM 1207 CG GLU 77 12.675 -20.111 -25.950 1.00 4.42 ATOM 1208 HG1 GLU 77 13.487 -19.977 -25.249 1.00 37.82 ATOM 1209 HG2 GLU 77 11.881 -20.666 -25.470 1.00 25.30 ATOM 1210 CD GLU 77 12.136 -18.743 -26.342 1.00 72.32 ATOM 1211 OE1 GLU 77 12.891 -17.754 -26.234 1.00 70.52 ATOM 1212 OE2 GLU 77 10.954 -18.641 -26.742 1.00 41.43 ATOM 1213 C GLU 77 12.668 -22.143 -29.291 1.00 41.13 ATOM 1214 O GLU 77 13.397 -21.635 -30.144 1.00 4.25 ATOM 1215 N LYS 78 12.342 -23.433 -29.306 1.00 61.33 ATOM 1216 HN LYS 78 11.769 -23.785 -28.593 1.00 37.82 ATOM 1217 CA LYS 78 12.823 -24.348 -30.347 1.00 31.52 ATOM 1218 HA LYS 78 13.732 -23.933 -30.764 1.00 31.44 ATOM 1219 CB LYS 78 13.147 -25.710 -29.703 1.00 64.35 ATOM 1220 HB1 LYS 78 12.217 -26.195 -29.435 1.00 37.82 ATOM 1221 HB2 LYS 78 13.711 -25.531 -28.799 1.00 35.11 ATOM 1222 CG LYS 78 13.955 -26.678 -30.573 1.00 32.43 ATOM 1223 HG1 LYS 78 14.474 -27.373 -29.925 1.00 37.82 ATOM 1224 HG2 LYS 78 14.680 -26.112 -31.139 1.00 64.04 ATOM 1225 CD LYS 78 13.086 -27.469 -31.550 1.00 32.33 ATOM 1226 HD1 LYS 78 12.638 -26.784 -32.255 1.00 37.82 ATOM 1227 HD2 LYS 78 12.308 -27.978 -30.998 1.00 31.40 ATOM 1228 CE LYS 78 13.902 -28.504 -32.318 1.00 15.33 ATOM 1229 HE1 LYS 78 13.236 -29.068 -32.956 1.00 37.82 ATOM 1230 HE2 LYS 78 14.372 -29.173 -31.612 1.00 24.44 ATOM 1231 NZ LYS 78 14.954 -27.871 -33.156 1.00 44.22 ATOM 1232 HZ1 LYS 78 15.590 -27.302 -32.565 1.00 24.51 ATOM 1233 HZ2 LYS 78 14.520 -27.255 -33.872 1.00 12.35 ATOM 1234 HZ3 LYS 78 15.512 -28.603 -33.641 1.00 41.22 ATOM 1235 C LYS 78 11.785 -24.501 -31.476 1.00 71.25 ATOM 1236 O LYS 78 12.138 -24.611 -32.652 1.00 62.54 ATOM 1237 N LEU 79 10.504 -24.497 -31.109 1.00 0.25 ATOM 1238 HN LEU 79 10.284 -24.359 -30.165 1.00 37.82 ATOM 1239 CA LEU 79 9.414 -24.702 -32.075 1.00 14.32 ATOM 1240 HA LEU 79 9.852 -25.075 -32.992 1.00 62.21 ATOM 1241 CB LEU 79 8.433 -25.757 -31.540 1.00 74.42 ATOM 1242 HB1 LEU 79 7.615 -25.845 -32.242 1.00 37.82 ATOM 1243 HB2 LEU 79 8.037 -25.401 -30.599 1.00 24.34 ATOM 1244 CG LEU 79 9.028 -27.159 -31.316 1.00 35.35 ATOM 1245 HG LEU 79 9.836 -27.086 -30.603 1.00 50.43 ATOM 1246 CD1 LEU 79 7.980 -28.107 -30.734 1.00 21.40 ATOM 1247 HD11 LEU 79 7.136 -28.173 -31.406 1.00 52.24 ATOM 1248 HD12 LEU 79 7.648 -27.733 -29.776 1.00 33.25 ATOM 1249 HD13 LEU 79 8.413 -29.089 -30.603 1.00 54.12 ATOM 1250 CD2 LEU 79 9.601 -27.718 -32.618 1.00 30.54 ATOM 1251 HD21 LEU 79 10.009 -28.704 -32.440 1.00 63.41 ATOM 1252 HD22 LEU 79 10.385 -27.066 -32.975 1.00 24.41 ATOM 1253 HD23 LEU 79 8.819 -27.782 -33.361 1.00 23.32 ATOM 1254 C LEU 79 8.656 -23.401 -32.398 1.00 14.41 ATOM 1255 O LEU 79 8.373 -23.114 -33.563 1.00 30.23 ATOM 1256 N PHE 80 8.335 -22.612 -31.373 1.00 23.40 ATOM 1257 HN PHE 80 8.650 -22.844 -30.478 1.00 37.82 ATOM 1258 CA PHE 80 7.519 -21.395 -31.551 1.00 0.13 ATOM 1259 HA PHE 80 7.303 -21.288 -32.605 1.00 12.52 ATOM 1260 CB PHE 80 6.191 -21.539 -30.788 1.00 25.03 ATOM 1261 HB1 PHE 80 5.533 -20.730 -31.075 1.00 37.82 ATOM 1262 HB2 PHE 80 6.387 -21.469 -29.727 1.00 52.12 ATOM 1263 CG PHE 80 5.467 -22.838 -31.039 1.00 71.45 ATOM 1264 CD1 PHE 80 4.646 -22.988 -32.146 1.00 53.34 ATOM 1265 HD1 PHE 80 4.532 -22.164 -32.835 1.00 14.53 ATOM 1266 CD2 PHE 80 5.605 -23.908 -30.161 1.00 71.13 ATOM 1267 HD2 PHE 80 6.243 -23.806 -29.291 1.00 3.31 ATOM 1268 CE1 PHE 80 3.975 -24.174 -32.374 1.00 40.52 ATOM 1269 HE1 PHE 80 3.339 -24.277 -33.243 1.00 3.55 ATOM 1270 CE2 PHE 80 4.937 -25.096 -30.388 1.00 42.44 ATOM 1271 HE2 PHE 80 5.052 -25.921 -29.699 1.00 14.14 ATOM 1272 CZ PHE 80 4.121 -25.228 -31.496 1.00 2.41 ATOM 1273 HZ PHE 80 3.595 -26.154 -31.673 1.00 12.53 ATOM 1274 C PHE 80 8.240 -20.117 -31.061 1.00 54.32 ATOM 1275 O PHE 80 7.817 -19.504 -30.075 1.00 42.41 ATOM 1276 N PRO 81 9.345 -19.695 -31.713 1.00 0.32 ATOM 1277 CA PRO 81 10.011 -18.432 -31.374 1.00 41.12 ATOM 1278 HA PRO 81 10.010 -18.260 -30.306 1.00 61.12 ATOM 1279 CB PRO 81 11.445 -18.669 -31.856 1.00 62.44 ATOM 1280 HB1 PRO 81 12.028 -19.110 -31.059 1.00 37.82 ATOM 1281 HB2 PRO 81 11.892 -17.730 -32.155 1.00 51.05 ATOM 1282 CG PRO 81 11.312 -19.608 -33.015 1.00 3.40 ATOM 1283 HG1 PRO 81 12.172 -20.261 -33.059 1.00 37.82 ATOM 1284 HG2 PRO 81 11.229 -19.043 -33.933 1.00 13.51 ATOM 1285 CD PRO 81 10.052 -20.418 -32.788 1.00 61.51 ATOM 1286 HD1 PRO 81 10.301 -21.421 -32.474 1.00 37.82 ATOM 1287 HD2 PRO 81 9.453 -20.445 -33.687 1.00 4.01 ATOM 1288 C PRO 81 9.378 -17.218 -32.084 1.00 1.14 ATOM 1289 O PRO 81 9.376 -16.105 -31.548 1.00 21.30 ATOM 1290 N ASP 82 8.840 -17.449 -33.288 1.00 31.24 ATOM 1291 HN ASP 82 8.854 -18.362 -33.639 1.00 37.82 ATOM 1292 CA ASP 82 8.222 -16.394 -34.108 1.00 32.24 ATOM 1293 HA ASP 82 7.861 -16.867 -35.011 1.00 1.20 ATOM 1294 CB ASP 82 7.024 -15.773 -33.364 1.00 14.35 ATOM 1295 HB1 ASP 82 7.391 -15.159 -32.553 1.00 37.82 ATOM 1296 HB2 ASP 82 6.412 -16.565 -32.957 1.00 64.04 ATOM 1297 CG ASP 82 6.151 -14.915 -34.267 1.00 42.30 ATOM 1298 OD1 ASP 82 6.045 -13.694 -34.027 1.00 43.32 ATOM 1299 OD2 ASP 82 5.565 -15.460 -35.227 1.00 73.34 ATOM 1300 C ASP 82 9.255 -15.319 -34.514 1.00 72.54 ATOM 1301 O ASP 82 8.903 -14.222 -34.949 1.00 31.41 ATOM 1302 N THR 83 10.536 -15.666 -34.395 1.00 41.51 ATOM 1303 HN THR 83 10.751 -16.563 -34.067 1.00 37.82 ATOM 1304 CA THR 83 11.640 -14.763 -34.753 1.00 53.44 ATOM 1305 HA THR 83 11.228 -13.778 -34.927 1.00 73.33 ATOM 1306 CB THR 83 12.686 -14.661 -33.612 1.00 5.54 ATOM 1307 HB THR 83 13.489 -14.011 -33.937 1.00 74.24 ATOM 1308 OG1 THR 83 13.231 -15.958 -33.315 1.00 75.21 ATOM 1309 HG1 THR 83 13.905 -16.181 -33.969 1.00 14.31 ATOM 1310 CG2 THR 83 12.069 -14.069 -32.348 1.00 70.52 ATOM 1311 HG21 THR 83 11.688 -13.080 -32.561 1.00 61.21 ATOM 1312 HG22 THR 83 12.821 -14.005 -31.577 1.00 42.31 ATOM 1313 HG23 THR 83 11.260 -14.702 -32.009 1.00 44.30 ATOM 1314 C THR 83 12.355 -15.239 -36.027 1.00 34.40 ATOM 1315 O THR 83 12.410 -16.442 -36.300 1.00 73.45 ATOM 1316 N PRO 84 12.907 -14.306 -36.832 1.00 2.51 ATOM 1317 CA PRO 84 13.682 -14.654 -38.041 1.00 63.03 ATOM 1318 HA PRO 84 13.070 -15.191 -38.754 1.00 32.14 ATOM 1319 CB PRO 84 14.072 -13.283 -38.628 1.00 71.04 ATOM 1320 HB1 PRO 84 13.982 -13.310 -39.705 1.00 37.82 ATOM 1321 HB2 PRO 84 15.092 -13.042 -38.355 1.00 52.25 ATOM 1322 CG PRO 84 13.107 -12.316 -38.026 1.00 40.13 ATOM 1323 HG1 PRO 84 12.205 -12.278 -38.621 1.00 37.82 ATOM 1324 HG2 PRO 84 13.557 -11.336 -37.964 1.00 50.25 ATOM 1325 CD PRO 84 12.804 -12.846 -36.651 1.00 24.35 ATOM 1326 HD1 PRO 84 11.806 -12.565 -36.346 1.00 37.82 ATOM 1327 HD2 PRO 84 13.535 -12.490 -35.937 1.00 53.40 ATOM 1328 C PRO 84 14.942 -15.488 -37.735 1.00 43.10 ATOM 1329 O PRO 84 15.198 -15.860 -36.588 1.00 61.13 ATOM 1330 N LEU 85 15.734 -15.770 -38.769 1.00 31.22 ATOM 1331 HN LEU 85 15.484 -15.447 -39.662 1.00 37.82 ATOM 1332 CA LEU 85 16.961 -16.563 -38.611 1.00 14.12 ATOM 1333 HA LEU 85 16.674 -17.498 -38.150 1.00 10.43 ATOM 1334 CB LEU 85 17.582 -16.877 -39.991 1.00 20.15 ATOM 1335 HB1 LEU 85 16.979 -17.644 -40.456 1.00 37.82 ATOM 1336 HB2 LEU 85 18.572 -17.281 -39.830 1.00 12.41 ATOM 1337 CG LEU 85 17.700 -15.696 -40.986 1.00 33.24 ATOM 1338 HG LEU 85 16.731 -15.225 -41.080 1.00 2.20 ATOM 1339 CD1 LEU 85 18.682 -14.632 -40.500 1.00 4.14 ATOM 1340 HD11 LEU 85 18.737 -13.835 -41.227 1.00 24.22 ATOM 1341 HD12 LEU 85 19.662 -15.070 -40.371 1.00 25.33 ATOM 1342 HD13 LEU 85 18.341 -14.231 -39.557 1.00 1.20 ATOM 1343 CD2 LEU 85 18.104 -16.201 -42.372 1.00 2.44 ATOM 1344 HD21 LEU 85 17.371 -16.911 -42.725 1.00 61.20 ATOM 1345 HD22 LEU 85 19.071 -16.681 -42.318 1.00 1.41 ATOM 1346 HD23 LEU 85 18.155 -15.369 -43.059 1.00 62.02 ATOM 1347 C LEU 85 17.997 -15.881 -37.691 1.00 62.54 ATOM 1348 O LEU 85 17.973 -14.663 -37.492 1.00 44.43 ATOM 1349 N ALA 86 18.890 -16.687 -37.121 1.00 2.34 ATOM 1350 HN ALA 86 18.788 -17.658 -37.229 1.00 37.82 ATOM 1351 CA ALA 86 20.003 -16.179 -36.312 1.00 33.33 ATOM 1352 HA ALA 86 20.322 -15.235 -36.736 1.00 14.51 ATOM 1353 CB ALA 86 19.545 -15.927 -34.879 1.00 11.40 ATOM 1354 HB1 ALA 86 19.224 -16.857 -34.432 1.00 74.34 ATOM 1355 HB2 ALA 86 18.721 -15.227 -34.881 1.00 61.53 ATOM 1356 HB3 ALA 86 20.363 -15.515 -34.305 1.00 25.32 ATOM 1357 C ALA 86 21.187 -17.157 -36.330 1.00 12.01 ATOM 1358 O ALA 86 21.043 -18.325 -35.970 1.00 45.33 ATOM 1359 N LEU 87 22.356 -16.677 -36.751 1.00 74.54 ATOM 1360 HN LEU 87 22.414 -15.735 -37.019 1.00 37.82 ATOM 1361 CA LEU 87 23.560 -17.518 -36.826 1.00 1.21 ATOM 1362 HA LEU 87 23.292 -18.429 -37.343 1.00 50.35 ATOM 1363 CB LEU 87 24.660 -16.800 -37.624 1.00 72.14 ATOM 1364 HB1 LEU 87 25.532 -17.438 -37.644 1.00 37.82 ATOM 1365 HB2 LEU 87 24.916 -15.889 -37.100 1.00 65.32 ATOM 1366 CG LEU 87 24.297 -16.437 -39.077 1.00 51.55 ATOM 1367 HG LEU 87 23.447 -15.769 -39.069 1.00 2.12 ATOM 1368 CD1 LEU 87 25.455 -15.708 -39.763 1.00 32.35 ATOM 1369 HD11 LEU 87 25.169 -15.441 -40.771 1.00 44.00 ATOM 1370 HD12 LEU 87 26.324 -16.351 -39.796 1.00 61.13 ATOM 1371 HD13 LEU 87 25.694 -14.810 -39.210 1.00 35.31 ATOM 1372 CD2 LEU 87 23.901 -17.688 -39.860 1.00 61.11 ATOM 1373 HD21 LEU 87 23.035 -18.140 -39.399 1.00 72.52 ATOM 1374 HD22 LEU 87 24.719 -18.393 -39.855 1.00 15.32 ATOM 1375 HD23 LEU 87 23.665 -17.418 -40.879 1.00 31.11 ATOM 1376 C LEU 87 24.080 -17.881 -35.426 1.00 22.44 ATOM 1377 O LEU 87 24.662 -18.950 -35.226 1.00 73.02 ATOM 1378 N ASP 88 23.868 -16.978 -34.471 1.00 32.43 ATOM 1379 HN ASP 88 23.410 -16.146 -34.707 1.00 37.82 ATOM 1380 CA ASP 88 24.296 -17.180 -33.083 1.00 4.55 ATOM 1381 HA ASP 88 23.960 -18.161 -32.772 1.00 34.11 ATOM 1382 CB ASP 88 25.828 -17.121 -32.990 1.00 32.02 ATOM 1383 HB1 ASP 88 26.168 -16.175 -33.386 1.00 37.82 ATOM 1384 HB2 ASP 88 26.246 -17.921 -33.585 1.00 51.23 ATOM 1385 CG ASP 88 26.340 -17.267 -31.567 1.00 35.31 ATOM 1386 OD1 ASP 88 26.246 -18.380 -31.011 1.00 65.11 ATOM 1387 OD2 ASP 88 26.856 -16.279 -31.008 1.00 61.01 ATOM 1388 C ASP 88 23.662 -16.125 -32.164 1.00 4.10 ATOM 1389 O ASP 88 24.036 -14.950 -32.198 1.00 3.34 ATOM 1390 N ALA 89 22.692 -16.542 -31.354 1.00 50.00 ATOM 1391 HN ALA 89 22.436 -17.490 -31.362 1.00 37.82 ATOM 1392 CA ALA 89 22.005 -15.622 -30.446 1.00 5.22 ATOM 1393 HA ALA 89 21.973 -14.650 -30.924 1.00 71.31 ATOM 1394 CB ALA 89 20.566 -16.078 -30.216 1.00 63.13 ATOM 1395 HB1 ALA 89 20.056 -16.153 -31.166 1.00 15.32 ATOM 1396 HB2 ALA 89 20.054 -15.361 -29.590 1.00 64.15 ATOM 1397 HB3 ALA 89 20.566 -17.044 -29.732 1.00 62.03 ATOM 1398 C ALA 89 22.756 -15.485 -29.112 1.00 2.24 ATOM 1399 O ALA 89 22.438 -16.163 -28.131 1.00 14.23 ATOM 1400 N ASN 90 23.773 -14.626 -29.095 1.00 31.50 ATOM 1401 HN ASN 90 24.018 -14.168 -29.927 1.00 37.82 ATOM 1402 CA ASN 90 24.546 -14.352 -27.877 1.00 51.31 ATOM 1403 HA ASN 90 24.651 -15.283 -27.335 1.00 21.03 ATOM 1404 CB ASN 90 25.943 -13.836 -28.256 1.00 32.40 ATOM 1405 HB1 ASN 90 25.835 -12.952 -28.872 1.00 37.82 ATOM 1406 HB2 ASN 90 26.457 -14.597 -28.824 1.00 44.02 ATOM 1407 CG ASN 90 26.803 -13.480 -27.054 1.00 12.44 ATOM 1408 OD1 ASN 90 26.635 -14.019 -25.962 1.00 55.11 ATOM 1409 ND2 ASN 90 27.739 -12.575 -27.250 1.00 32.20 ATOM 1410 HD21 ASN 90 27.827 -12.189 -28.145 1.00 13.12 ATOM 1411 HD22 ASN 90 28.309 -12.328 -26.495 1.00 31.04 ATOM 1412 C ASN 90 23.813 -13.336 -26.982 1.00 53.23 ATOM 1413 O ASN 90 23.108 -12.455 -27.478 1.00 52.10 ATOM 1414 N LYS 91 23.986 -13.460 -25.665 1.00 31.30 ATOM 1415 HN LYS 91 24.608 -14.138 -25.333 1.00 37.82 ATOM 1416 HA LYS 91 22.431 -12.179 -25.229 1.00 54.04 ATOM 1417 CB LYS 91 22.756 -13.396 -23.487 1.00 15.44 ATOM 1418 HB1 LYS 91 22.094 -14.167 -23.859 1.00 37.82 ATOM 1419 HB2 LYS 91 22.177 -12.729 -22.864 1.00 34.22 ATOM 1420 CG LYS 91 23.808 -14.072 -22.590 1.00 71.05 ATOM 1421 HG1 LYS 91 23.311 -14.470 -21.713 1.00 37.82 ATOM 1422 HG2 LYS 91 24.524 -13.328 -22.279 1.00 20.33 ATOM 1423 CD LYS 91 24.558 -15.205 -23.285 1.00 24.33 ATOM 1424 HD1 LYS 91 25.082 -14.807 -24.143 1.00 37.82 ATOM 1425 HD2 LYS 91 23.846 -15.950 -23.610 1.00 60.34 ATOM 1426 CE LYS 91 25.570 -15.867 -22.350 1.00 74.10 ATOM 1427 HE1 LYS 91 26.058 -16.670 -22.883 1.00 37.82 ATOM 1428 HE2 LYS 91 25.043 -16.274 -21.500 1.00 33.55 ATOM 1429 NZ LYS 91 26.606 -14.914 -21.862 1.00 52.13 ATOM 1430 HZ1 LYS 91 26.159 -14.106 -21.386 1.00 53.00 ATOM 1431 HZ2 LYS 91 27.177 -14.562 -22.657 1.00 52.15 ATOM 1432 HZ3 LYS 91 27.239 -15.391 -21.185 1.00 63.22 ATOM 1433 CA LYS 91 23.289 -12.585 -24.705 1.00 52.30 ATOM 1434 C LYS 91 24.172 -11.385 -24.270 1.00 21.20 ATOM 1435 OT1 LYS 91 24.923 -11.487 -23.274 1.00 37.82 ATOM 1436 OT2 LYS 91 24.118 -10.334 -24.947 1.00 37.82 ATOM 1437 OH2 TIP3 1 3.692 -35.340 -34.896 1.00 0.00 WAT1 ATOM 1438 H1 TIP3 1 2.743 -35.192 -34.698 1.00 0.00 WAT1 ATOM 1439 H2 TIP3 1 4.147 -34.595 -34.450 1.00 0.00 WAT1 ATOM 1440 OH2 TIP3 2 -2.419 -34.274 -36.768 1.00 0.00 WAT1 ATOM 1441 H1 TIP3 2 -2.433 -35.080 -36.217 1.00 0.00 WAT1 ATOM 1442 H2 TIP3 2 -1.484 -33.975 -36.730 1.00 0.00 WAT1 ATOM 1443 OH2 TIP3 3 0.413 -37.870 -34.492 1.00 0.00 WAT1 ATOM 1444 H1 TIP3 3 -0.031 -37.829 -33.627 1.00 0.00 WAT1 ATOM 1445 H2 TIP3 3 1.273 -38.310 -34.303 1.00 0.00 WAT1 ATOM 1446 OH2 TIP3 4 -4.806 -36.582 -35.097 1.00 0.00 WAT1 ATOM 1447 H1 TIP3 4 -3.830 -36.502 -35.017 1.00 0.00 WAT1 ATOM 1448 H2 TIP3 4 -4.930 -37.295 -35.728 1.00 0.00 WAT1 ATOM 1449 OH2 TIP3 5 -1.339 -36.827 -32.417 1.00 0.00 WAT1 ATOM 1450 H1 TIP3 5 -1.857 -37.067 -31.616 1.00 0.00 WAT1 ATOM 1451 H2 TIP3 5 -0.660 -36.202 -32.081 1.00 0.00 WAT1 ATOM 1452 OH2 TIP3 6 2.608 -32.122 -35.677 1.00 0.00 WAT1 ATOM 1453 H1 TIP3 6 3.137 -32.642 -36.304 1.00 0.00 WAT1 ATOM 1454 H2 TIP3 6 2.923 -32.423 -34.788 1.00 0.00 WAT1 ATOM 1455 OH2 TIP3 7 -2.074 -36.469 -35.062 1.00 0.00 WAT1 ATOM 1456 H1 TIP3 7 -1.925 -36.529 -34.092 1.00 0.00 WAT1 ATOM 1457 H2 TIP3 7 -1.275 -36.867 -35.444 1.00 0.00 WAT1 ATOM 1458 OH2 TIP3 8 -5.768 -30.598 -35.787 1.00 0.00 WAT1 ATOM 1459 H1 TIP3 8 -6.005 -31.311 -35.151 1.00 0.00 WAT1 ATOM 1460 H2 TIP3 8 -5.119 -31.029 -36.394 1.00 0.00 WAT1 ATOM 1461 OH2 TIP3 9 -4.074 -32.154 -37.296 1.00 0.00 WAT1 ATOM 1462 H1 TIP3 9 -4.156 -32.346 -38.233 1.00 0.00 WAT1 ATOM 1463 H2 TIP3 9 -3.494 -32.875 -36.955 1.00 0.00 WAT1 ATOM 1464 OH2 TIP3 10 1.048 -35.198 -34.352 1.00 0.00 WAT1 ATOM 1465 H1 TIP3 10 0.932 -36.158 -34.502 1.00 0.00 WAT1 ATOM 1466 H2 TIP3 10 0.817 -35.071 -33.411 1.00 0.00 WAT1 ATOM 1467 OH2 TIP3 11 0.323 -37.517 -24.408 1.00 0.00 WAT1 ATOM 1468 H1 TIP3 11 0.904 -38.115 -23.920 1.00 0.00 WAT1 ATOM 1469 H2 TIP3 11 0.725 -37.462 -25.294 1.00 0.00 WAT1 ATOM 1470 OH2 TIP3 12 -6.147 -35.970 -24.103 1.00 0.00 WAT1 ATOM 1471 H1 TIP3 12 -5.769 -36.763 -23.668 1.00 0.00 WAT1 ATOM 1472 H2 TIP3 12 -6.233 -35.321 -23.372 1.00 0.00 WAT1 ATOM 1473 OH2 TIP3 13 -6.873 -35.742 -26.698 1.00 0.00 WAT1 ATOM 1474 H1 TIP3 13 -6.701 -35.848 -25.731 1.00 0.00 WAT1 ATOM 1475 H2 TIP3 13 -7.826 -35.858 -26.781 1.00 0.00 WAT1 ATOM 1476 OH2 TIP3 14 -0.624 -35.645 -21.130 1.00 0.00 WAT1 ATOM 1477 H1 TIP3 14 -1.054 -36.032 -21.918 1.00 0.00 WAT1 ATOM 1478 H2 TIP3 14 0.260 -35.359 -21.450 1.00 0.00 WAT1 ATOM 1479 OH2 TIP3 15 -3.676 -36.027 -25.492 1.00 0.00 WAT1 ATOM 1480 H1 TIP3 15 -3.806 -36.170 -26.449 1.00 0.00 WAT1 ATOM 1481 H2 TIP3 15 -4.566 -35.809 -25.161 1.00 0.00 WAT1 ATOM 1482 OH2 TIP3 16 2.480 -39.781 -29.626 1.00 0.00 WAT1 ATOM 1483 H1 TIP3 16 3.013 -39.508 -28.847 1.00 0.00 WAT1 ATOM 1484 H2 TIP3 16 1.698 -39.209 -29.590 1.00 0.00 WAT1 ATOM 1485 OH2 TIP3 17 -1.326 -32.980 -20.986 1.00 0.00 WAT1 ATOM 1486 H1 TIP3 17 -2.132 -33.114 -21.526 1.00 0.00 WAT1 ATOM 1487 H2 TIP3 17 -0.970 -33.884 -20.869 1.00 0.00 WAT1 ATOM 1488 OH2 TIP3 18 0.728 -38.635 -16.736 1.00 0.00 WAT1 ATOM 1489 H1 TIP3 18 -0.095 -39.132 -16.787 1.00 0.00 WAT1 ATOM 1490 H2 TIP3 18 0.585 -37.875 -17.332 1.00 0.00 WAT1 ATOM 1491 OH2 TIP3 19 -4.610 -37.292 -22.268 1.00 0.00 WAT1 ATOM 1492 H1 TIP3 19 -3.658 -37.225 -22.440 1.00 0.00 WAT1 ATOM 1493 H2 TIP3 19 -4.818 -36.496 -21.755 1.00 0.00 WAT1 ATOM 1494 OH2 TIP3 20 -4.445 -34.199 -29.634 1.00 0.00 WAT1 ATOM 1495 H1 TIP3 20 -4.327 -35.074 -29.232 1.00 0.00 WAT1 ATOM 1496 H2 TIP3 20 -4.900 -33.677 -28.935 1.00 0.00 WAT1 ATOM 1497 OH2 TIP3 21 0.753 -35.328 -31.544 1.00 0.00 WAT1 ATOM 1498 H1 TIP3 21 0.962 -34.734 -30.791 1.00 0.00 WAT1 ATOM 1499 H2 TIP3 21 1.574 -35.864 -31.662 1.00 0.00 WAT1 ATOM 1500 OH2 TIP3 22 2.365 -33.273 -17.929 1.00 0.00 WAT1 ATOM 1501 H1 TIP3 22 1.818 -33.822 -17.325 1.00 0.00 WAT1 ATOM 1502 H2 TIP3 22 1.863 -33.261 -18.753 1.00 0.00 WAT1 ATOM 1503 OH2 TIP3 23 0.430 -34.743 -16.668 1.00 0.00 WAT1 ATOM 1504 H1 TIP3 23 -0.460 -34.382 -16.591 1.00 0.00 WAT1 ATOM 1505 H2 TIP3 23 0.346 -35.447 -17.356 1.00 0.00 WAT1 ATOM 1506 OH2 TIP3 24 2.195 -39.932 -22.108 1.00 0.00 WAT1 ATOM 1507 H1 TIP3 24 2.210 -40.875 -22.366 1.00 0.00 WAT1 ATOM 1508 H2 TIP3 24 2.666 -39.479 -22.840 1.00 0.00 WAT1 ATOM 1509 OH2 TIP3 25 -4.582 -36.542 -28.072 1.00 0.00 WAT1 ATOM 1510 H1 TIP3 25 -4.812 -37.426 -28.386 1.00 0.00 WAT1 ATOM 1511 H2 TIP3 25 -5.426 -36.189 -27.707 1.00 0.00 WAT1 ATOM 1512 OH2 TIP3 26 -6.823 -36.275 -18.538 1.00 0.00 WAT1 ATOM 1513 H1 TIP3 26 -7.447 -36.882 -18.124 1.00 0.00 WAT1 ATOM 1514 H2 TIP3 26 -6.832 -36.523 -19.471 1.00 0.00 WAT1 ATOM 1515 OH2 TIP3 27 0.198 -36.561 -18.705 1.00 0.00 WAT1 ATOM 1516 H1 TIP3 27 -0.294 -36.160 -19.458 1.00 0.00 WAT1 ATOM 1517 H2 TIP3 27 0.749 -37.260 -19.132 1.00 0.00 WAT1 ATOM 1518 OH2 TIP3 28 1.364 -33.920 -29.282 1.00 0.00 WAT1 ATOM 1519 H1 TIP3 28 0.681 -33.500 -28.706 1.00 0.00 WAT1 ATOM 1520 H2 TIP3 28 2.117 -34.087 -28.671 1.00 0.00 WAT1 ATOM 1521 OH2 TIP3 29 -9.251 -26.784 -31.609 1.00 0.00 WAT1 ATOM 1522 H1 TIP3 29 -10.086 -26.333 -31.836 1.00 0.00 WAT1 ATOM 1523 H2 TIP3 29 -8.771 -26.836 -32.461 1.00 0.00 WAT1 ATOM 1524 OH2 TIP3 30 -2.315 -37.244 -29.840 1.00 0.00 WAT1 ATOM 1525 H1 TIP3 30 -1.423 -37.360 -29.447 1.00 0.00 WAT1 ATOM 1526 H2 TIP3 30 -2.841 -36.851 -29.129 1.00 0.00 WAT1 ATOM 1527 OH2 TIP3 31 -5.352 -34.046 -17.926 1.00 0.00 WAT1 ATOM 1528 H1 TIP3 31 -5.912 -34.824 -18.152 1.00 0.00 WAT1 ATOM 1529 H2 TIP3 31 -4.804 -34.356 -17.201 1.00 0.00 WAT1 ATOM 1530 OH2 TIP3 32 0.314 -37.286 -28.974 1.00 0.00 WAT1 ATOM 1531 H1 TIP3 32 0.654 -36.562 -29.522 1.00 0.00 WAT1 ATOM 1532 H2 TIP3 32 0.804 -37.201 -28.131 1.00 0.00 WAT1 ATOM 1533 OH2 TIP3 33 -4.478 -33.300 -32.198 1.00 0.00 WAT1 ATOM 1534 H1 TIP3 33 -3.969 -33.996 -32.626 1.00 0.00 WAT1 ATOM 1535 H2 TIP3 33 -4.552 -33.600 -31.260 1.00 0.00 WAT1 ATOM 1536 OH2 TIP3 34 -5.905 -26.942 -26.453 1.00 0.00 WAT1 ATOM 1537 H1 TIP3 34 -5.419 -26.770 -25.620 1.00 0.00 WAT1 ATOM 1538 H2 TIP3 34 -5.457 -26.382 -27.113 1.00 0.00 WAT1 ATOM 1539 OH2 TIP3 35 -6.959 -34.983 -34.702 1.00 0.00 WAT1 ATOM 1540 H1 TIP3 35 -7.494 -35.656 -34.278 1.00 0.00 WAT1 ATOM 1541 H2 TIP3 35 -6.105 -35.437 -34.890 1.00 0.00 WAT1 ATOM 1542 OH2 TIP3 36 1.175 -31.952 -31.245 1.00 0.00 WAT1 ATOM 1543 H1 TIP3 36 1.258 -32.603 -30.517 1.00 0.00 WAT1 ATOM 1544 H2 TIP3 36 1.818 -32.277 -31.930 1.00 0.00 WAT1 ATOM 1545 OH2 TIP3 37 -6.447 -32.448 -33.901 1.00 0.00 WAT1 ATOM 1546 H1 TIP3 37 -5.769 -32.705 -33.232 1.00 0.00 WAT1 ATOM 1547 H2 TIP3 37 -6.742 -33.308 -34.282 1.00 0.00 WAT1 ATOM 1548 OH2 TIP3 38 2.249 -34.972 -14.646 1.00 0.00 WAT1 ATOM 1549 H1 TIP3 38 1.927 -34.326 -14.009 1.00 0.00 WAT1 ATOM 1550 H2 TIP3 38 1.562 -34.976 -15.350 1.00 0.00 WAT1 ATOM 1551 OH2 TIP3 39 1.865 -36.868 -26.745 1.00 0.00 WAT1 ATOM 1552 H1 TIP3 39 1.606 -35.995 -26.374 1.00 0.00 WAT1 ATOM 1553 H2 TIP3 39 2.798 -36.993 -26.429 1.00 0.00 WAT1 ATOM 1554 OH2 TIP3 40 5.692 -39.076 -29.641 1.00 0.00 WAT1 ATOM 1555 H1 TIP3 40 5.163 -39.217 -28.828 1.00 0.00 WAT1 ATOM 1556 H2 TIP3 40 5.053 -38.733 -30.284 1.00 0.00 WAT1 ATOM 1557 OH2 TIP3 41 3.514 -38.963 -24.276 1.00 0.00 WAT1 ATOM 1558 H1 TIP3 41 3.696 -38.134 -24.781 1.00 0.00 WAT1 ATOM 1559 H2 TIP3 41 4.400 -39.387 -24.196 1.00 0.00 WAT1 ATOM 1560 OH2 TIP3 42 1.592 -38.617 -19.753 1.00 0.00 WAT1 ATOM 1561 H1 TIP3 42 1.680 -39.363 -19.153 1.00 0.00 WAT1 ATOM 1562 H2 TIP3 42 1.705 -39.014 -20.647 1.00 0.00 WAT1 ATOM 1563 OH2 TIP3 43 2.997 -42.467 -23.014 1.00 0.00 WAT1 ATOM 1564 H1 TIP3 43 3.620 -42.356 -22.273 1.00 0.00 WAT1 ATOM 1565 H2 TIP3 43 2.926 -43.432 -23.116 1.00 0.00 WAT1 ATOM 1566 OH2 TIP3 44 -6.285 -32.496 -19.958 1.00 0.00 WAT1 ATOM 1567 H1 TIP3 44 -7.060 -32.082 -19.562 1.00 0.00 WAT1 ATOM 1568 H2 TIP3 44 -5.862 -32.982 -19.208 1.00 0.00 WAT1 ATOM 1569 OH2 TIP3 45 -5.752 -34.611 -21.733 1.00 0.00 WAT1 ATOM 1570 H1 TIP3 45 -4.841 -34.328 -21.966 1.00 0.00 WAT1 ATOM 1571 H2 TIP3 45 -6.073 -33.906 -21.139 1.00 0.00 WAT1 ATOM 1572 OH2 TIP3 46 -2.014 -36.487 -23.451 1.00 0.00 WAT1 ATOM 1573 H1 TIP3 46 -2.605 -36.441 -24.244 1.00 0.00 WAT1 ATOM 1574 H2 TIP3 46 -1.207 -36.949 -23.784 1.00 0.00 WAT1 ATOM 1575 OH2 TIP3 47 4.287 -32.117 -13.415 1.00 0.00 WAT1 ATOM 1576 H1 TIP3 47 3.464 -32.239 -12.892 1.00 0.00 WAT1 ATOM 1577 H2 TIP3 47 4.734 -32.985 -13.364 1.00 0.00 WAT1 ATOM 1578 OH2 TIP3 48 5.432 -34.602 -13.363 1.00 0.00 WAT1 ATOM 1579 H1 TIP3 48 5.627 -34.568 -14.321 1.00 0.00 WAT1 ATOM 1580 H2 TIP3 48 4.742 -35.278 -13.285 1.00 0.00 WAT1 ATOM 1581 OH2 TIP3 49 1.879 -31.759 -12.244 1.00 0.00 WAT1 ATOM 1582 H1 TIP3 49 1.487 -31.559 -11.368 1.00 0.00 WAT1 ATOM 1583 H2 TIP3 49 1.459 -31.114 -12.846 1.00 0.00 WAT1 ATOM 1584 OH2 TIP3 50 2.591 -30.851 -16.505 1.00 0.00 WAT1 ATOM 1585 H1 TIP3 50 1.638 -30.678 -16.651 1.00 0.00 WAT1 ATOM 1586 H2 TIP3 50 2.742 -31.721 -16.927 1.00 0.00 WAT1 ATOM 1587 OH2 TIP3 51 4.191 -36.495 -15.716 1.00 0.00 WAT1 ATOM 1588 H1 TIP3 51 3.444 -35.984 -15.316 1.00 0.00 WAT1 ATOM 1589 H2 TIP3 51 4.824 -35.804 -15.996 1.00 0.00 WAT1 ATOM 1590 OH2 TIP3 52 1.272 -33.117 -5.559 1.00 0.00 WAT1 ATOM 1591 H1 TIP3 52 1.581 -32.367 -4.996 1.00 0.00 WAT1 ATOM 1592 H2 TIP3 52 0.681 -33.618 -4.981 1.00 0.00 WAT1 ATOM 1593 OH2 TIP3 53 2.966 -38.910 -15.065 1.00 0.00 WAT1 ATOM 1594 H1 TIP3 53 3.320 -38.039 -15.321 1.00 0.00 WAT1 ATOM 1595 H2 TIP3 53 2.105 -38.963 -15.533 1.00 0.00 WAT1 ATOM 1596 OH2 TIP3 54 -2.344 -31.062 -9.052 1.00 0.00 WAT1 ATOM 1597 H1 TIP3 54 -1.755 -31.313 -8.309 1.00 0.00 WAT1 ATOM 1598 H2 TIP3 54 -3.093 -31.662 -8.976 1.00 0.00 WAT1 ATOM 1599 OH2 TIP3 55 2.074 -27.275 -37.548 1.00 0.00 WAT1 ATOM 1600 H1 TIP3 55 2.455 -28.142 -37.734 1.00 0.00 WAT1 ATOM 1601 H2 TIP3 55 1.926 -26.887 -38.417 1.00 0.00 WAT1 ATOM 1602 OH2 TIP3 56 2.892 -15.475 -35.501 1.00 0.00 WAT1 ATOM 1603 H1 TIP3 56 2.638 -14.549 -35.305 1.00 0.00 WAT1 ATOM 1604 H2 TIP3 56 3.865 -15.503 -35.317 1.00 0.00 WAT1 ATOM 1605 OH2 TIP3 57 -0.379 -23.897 -33.635 1.00 0.00 WAT1 ATOM 1606 H1 TIP3 57 -0.607 -23.434 -32.797 1.00 0.00 WAT1 ATOM 1607 H2 TIP3 57 -1.142 -23.711 -34.227 1.00 0.00 WAT1 ATOM 1608 OH2 TIP3 58 -3.645 -22.690 -32.590 1.00 0.00 WAT1 ATOM 1609 H1 TIP3 58 -4.144 -22.228 -31.884 1.00 0.00 WAT1 ATOM 1610 H2 TIP3 58 -3.635 -23.626 -32.307 1.00 0.00 WAT1 ATOM 1611 OH2 TIP3 59 3.488 -11.411 -38.996 1.00 0.00 WAT1 ATOM 1612 H1 TIP3 59 3.822 -10.671 -38.455 1.00 0.00 WAT1 ATOM 1613 H2 TIP3 59 4.291 -11.782 -39.414 1.00 0.00 WAT1 ATOM 1614 OH2 TIP3 60 2.685 -15.275 -38.221 1.00 0.00 WAT1 ATOM 1615 H1 TIP3 60 2.157 -14.451 -38.148 1.00 0.00 WAT1 ATOM 1616 H2 TIP3 60 2.629 -15.672 -37.322 1.00 0.00 WAT1 ATOM 1617 OH2 TIP3 61 -3.706 -26.174 -35.062 1.00 0.00 WAT1 ATOM 1618 H1 TIP3 61 -2.843 -25.769 -35.235 1.00 0.00 WAT1 ATOM 1619 H2 TIP3 61 -4.348 -25.544 -35.456 1.00 0.00 WAT1 ATOM 1620 OH2 TIP3 62 -3.565 -25.511 -32.368 1.00 0.00 WAT1 ATOM 1621 H1 TIP3 62 -3.691 -25.789 -33.301 1.00 0.00 WAT1 ATOM 1622 H2 TIP3 62 -2.923 -26.163 -32.016 1.00 0.00 WAT1 ATOM 1623 OH2 TIP3 63 -7.822 -24.561 -35.388 1.00 0.00 WAT1 ATOM 1624 H1 TIP3 63 -8.687 -24.325 -35.797 1.00 0.00 WAT1 ATOM 1625 H2 TIP3 63 -8.021 -25.352 -34.855 1.00 0.00 WAT1 ATOM 1626 OH2 TIP3 64 -5.248 -24.139 -36.098 1.00 0.00 WAT1 ATOM 1627 H1 TIP3 64 -5.393 -23.919 -37.025 1.00 0.00 WAT1 ATOM 1628 H2 TIP3 64 -6.163 -24.240 -35.731 1.00 0.00 WAT1 ATOM 1629 OH2 TIP3 65 -5.527 -28.176 -34.473 1.00 0.00 WAT1 ATOM 1630 H1 TIP3 65 -5.445 -28.969 -35.048 1.00 0.00 WAT1 ATOM 1631 H2 TIP3 65 -4.739 -27.634 -34.697 1.00 0.00 WAT1 ATOM 1632 OH2 TIP3 66 -8.360 -29.514 -35.449 1.00 0.00 WAT1 ATOM 1633 H1 TIP3 66 -7.448 -29.783 -35.697 1.00 0.00 WAT1 ATOM 1634 H2 TIP3 66 -8.921 -29.986 -36.073 1.00 0.00 WAT1 ATOM 1635 OH2 TIP3 67 -7.558 -30.204 -32.912 1.00 0.00 WAT1 ATOM 1636 H1 TIP3 67 -8.010 -29.860 -33.705 1.00 0.00 WAT1 ATOM 1637 H2 TIP3 67 -7.265 -31.106 -33.177 1.00 0.00 WAT1 ATOM 1638 OH2 TIP3 68 5.234 -14.315 -37.693 1.00 0.00 WAT1 ATOM 1639 H1 TIP3 68 4.351 -14.682 -37.887 1.00 0.00 WAT1 ATOM 1640 H2 TIP3 68 5.497 -14.756 -36.848 1.00 0.00 WAT1 ATOM 1641 OH2 TIP3 69 -2.739 -23.401 -35.020 1.00 0.00 WAT1 ATOM 1642 H1 TIP3 69 -3.577 -23.535 -35.501 1.00 0.00 WAT1 ATOM 1643 H2 TIP3 69 -3.017 -22.990 -34.171 1.00 0.00 WAT1 ATOM 1644 OH2 TIP3 70 1.894 -22.859 -34.782 1.00 0.00 WAT1 ATOM 1645 H1 TIP3 70 1.051 -23.258 -34.476 1.00 0.00 WAT1 ATOM 1646 H2 TIP3 70 2.510 -23.608 -34.812 1.00 0.00 WAT1 ATOM 1647 OH2 TIP3 71 0.633 -26.376 -33.247 1.00 0.00 WAT1 ATOM 1648 H1 TIP3 71 0.266 -25.495 -33.489 1.00 0.00 WAT1 ATOM 1649 H2 TIP3 71 0.718 -26.339 -32.270 1.00 0.00 WAT1 ATOM 1650 OH2 TIP3 72 0.203 -33.577 -36.307 1.00 0.00 WAT1 ATOM 1651 H1 TIP3 72 0.444 -34.260 -35.644 1.00 0.00 WAT1 ATOM 1652 H2 TIP3 72 0.850 -32.869 -36.158 1.00 0.00 WAT1 ATOM 1653 OH2 TIP3 73 -0.993 -30.390 -31.651 1.00 0.00 WAT1 ATOM 1654 H1 TIP3 73 -0.186 -30.918 -31.443 1.00 0.00 WAT1 ATOM 1655 H2 TIP3 73 -1.405 -30.873 -32.381 1.00 0.00 WAT1 ATOM 1656 OH2 TIP3 74 1.490 -12.790 -37.819 1.00 0.00 WAT1 ATOM 1657 H1 TIP3 74 2.237 -12.283 -38.225 1.00 0.00 WAT1 ATOM 1658 H2 TIP3 74 0.707 -12.453 -38.268 1.00 0.00 WAT1 ATOM 1659 OH2 TIP3 75 -6.270 -16.549 -28.680 1.00 0.00 WAT1 ATOM 1660 H1 TIP3 75 -6.825 -15.952 -29.214 1.00 0.00 WAT1 ATOM 1661 H2 TIP3 75 -5.877 -17.157 -29.328 1.00 0.00 WAT1 ATOM 1662 OH2 TIP3 76 -6.351 -31.282 -25.582 1.00 0.00 WAT1 ATOM 1663 H1 TIP3 76 -6.814 -31.075 -24.764 1.00 0.00 WAT1 ATOM 1664 H2 TIP3 76 -6.678 -30.599 -26.219 1.00 0.00 WAT1 ATOM 1665 OH2 TIP3 77 -7.246 -21.362 -26.046 1.00 0.00 WAT1 ATOM 1666 H1 TIP3 77 -8.185 -21.204 -26.197 1.00 0.00 WAT1 ATOM 1667 H2 TIP3 77 -6.953 -20.584 -25.523 1.00 0.00 WAT1 ATOM 1668 OH2 TIP3 78 -8.132 -14.851 -30.005 1.00 0.00 WAT1 ATOM 1669 H1 TIP3 78 -9.018 -15.228 -29.940 1.00 0.00 WAT1 ATOM 1670 H2 TIP3 78 -8.148 -14.345 -30.828 1.00 0.00 WAT1 ATOM 1671 OH2 TIP3 79 -6.245 -22.405 -23.445 1.00 0.00 WAT1 ATOM 1672 H1 TIP3 79 -6.773 -22.387 -24.260 1.00 0.00 WAT1 ATOM 1673 H2 TIP3 79 -5.526 -21.755 -23.611 1.00 0.00 WAT1 ATOM 1674 OH2 TIP3 80 -3.234 -34.093 -22.639 1.00 0.00 WAT1 ATOM 1675 H1 TIP3 80 -3.453 -33.509 -23.400 1.00 0.00 WAT1 ATOM 1676 H2 TIP3 80 -2.793 -34.866 -23.045 1.00 0.00 WAT1 ATOM 1677 OH2 TIP3 81 -1.972 -17.767 -29.893 1.00 0.00 WAT1 ATOM 1678 H1 TIP3 81 -1.584 -17.520 -29.026 1.00 0.00 WAT1 ATOM 1679 H2 TIP3 81 -1.545 -17.147 -30.528 1.00 0.00 WAT1 ATOM 1680 OH2 TIP3 82 -3.228 -19.003 -27.207 1.00 0.00 WAT1 ATOM 1681 H1 TIP3 82 -3.005 -19.532 -26.401 1.00 0.00 WAT1 ATOM 1682 H2 TIP3 82 -2.364 -18.742 -27.563 1.00 0.00 WAT1 ATOM 1683 OH2 TIP3 83 -4.712 -25.531 -28.604 1.00 0.00 WAT1 ATOM 1684 H1 TIP3 83 -5.220 -24.711 -28.713 1.00 0.00 WAT1 ATOM 1685 H2 TIP3 83 -3.777 -25.244 -28.675 1.00 0.00 WAT1 ATOM 1686 OH2 TIP3 84 -6.086 -24.648 -31.569 1.00 0.00 WAT1 ATOM 1687 H1 TIP3 84 -5.201 -24.904 -31.906 1.00 0.00 WAT1 ATOM 1688 H2 TIP3 84 -6.359 -23.903 -32.152 1.00 0.00 WAT1 ATOM 1689 OH2 TIP3 85 -5.328 -17.494 -26.325 1.00 0.00 WAT1 ATOM 1690 H1 TIP3 85 -4.618 -18.040 -26.730 1.00 0.00 WAT1 ATOM 1691 H2 TIP3 85 -5.760 -17.052 -27.097 1.00 0.00 WAT1 ATOM 1692 OH2 TIP3 86 -6.352 -19.262 -24.480 1.00 0.00 WAT1 ATOM 1693 H1 TIP3 86 -6.136 -18.524 -25.090 1.00 0.00 WAT1 ATOM 1694 H2 TIP3 86 -5.483 -19.693 -24.305 1.00 0.00 WAT1 ATOM 1695 OH2 TIP3 87 -15.259 -21.076 -27.788 1.00 0.00 WAT1 ATOM 1696 H1 TIP3 87 -15.772 -20.373 -27.385 1.00 0.00 WAT1 ATOM 1697 H2 TIP3 87 -15.801 -21.381 -28.516 1.00 0.00 WAT1 ATOM 1698 OH2 TIP3 88 -1.296 -17.707 -24.814 1.00 0.00 WAT1 ATOM 1699 H1 TIP3 88 -2.163 -17.241 -24.835 1.00 0.00 WAT1 ATOM 1700 H2 TIP3 88 -1.532 -18.666 -24.927 1.00 0.00 WAT1 ATOM 1701 OH2 TIP3 89 -0.959 -22.665 -31.233 1.00 0.00 WAT1 ATOM 1702 H1 TIP3 89 -1.540 -23.196 -30.670 1.00 0.00 WAT1 ATOM 1703 H2 TIP3 89 -1.398 -21.790 -31.275 1.00 0.00 WAT1 ATOM 1704 OH2 TIP3 90 -9.091 -13.302 -25.837 1.00 0.00 WAT1 ATOM 1705 H1 TIP3 90 -9.293 -13.933 -25.138 1.00 0.00 WAT1 ATOM 1706 H2 TIP3 90 -9.102 -12.446 -25.396 1.00 0.00 WAT1 ATOM 1707 OH2 TIP3 91 5.537 -18.371 -28.162 1.00 0.00 WAT1 ATOM 1708 H1 TIP3 91 6.324 -18.940 -28.140 1.00 0.00 WAT1 ATOM 1709 H2 TIP3 91 5.030 -18.630 -27.357 1.00 0.00 WAT1 ATOM 1710 OH2 TIP3 92 -6.628 -22.938 -16.625 1.00 0.00 WAT1 ATOM 1711 H1 TIP3 92 -7.285 -22.631 -17.286 1.00 0.00 WAT1 ATOM 1712 H2 TIP3 92 -6.172 -23.680 -17.069 1.00 0.00 WAT1 ATOM 1713 OH2 TIP3 93 -4.810 -31.061 -21.835 1.00 0.00 WAT1 ATOM 1714 H1 TIP3 93 -5.337 -31.593 -21.203 1.00 0.00 WAT1 ATOM 1715 H2 TIP3 93 -4.669 -30.217 -21.375 1.00 0.00 WAT1 ATOM 1716 OH2 TIP3 94 -6.885 -22.280 -32.683 1.00 0.00 WAT1 ATOM 1717 H1 TIP3 94 -6.324 -21.798 -32.040 1.00 0.00 WAT1 ATOM 1718 H2 TIP3 94 -6.675 -21.875 -33.532 1.00 0.00 WAT1 ATOM 1719 OH2 TIP3 95 -8.740 -28.372 -29.429 1.00 0.00 WAT1 ATOM 1720 H1 TIP3 95 -9.624 -28.745 -29.344 1.00 0.00 WAT1 ATOM 1721 H2 TIP3 95 -8.801 -27.789 -30.219 1.00 0.00 WAT1 ATOM 1722 OH2 TIP3 96 -9.368 -23.479 -32.013 1.00 0.00 WAT1 ATOM 1723 H1 TIP3 96 -9.055 -23.548 -31.095 1.00 0.00 WAT1 ATOM 1724 H2 TIP3 96 -8.629 -23.047 -32.483 1.00 0.00 WAT1 ATOM 1725 OH2 TIP3 97 -3.967 -32.040 -24.284 1.00 0.00 WAT1 ATOM 1726 H1 TIP3 97 -4.236 -31.601 -23.443 1.00 0.00 WAT1 ATOM 1727 H2 TIP3 97 -4.707 -31.850 -24.897 1.00 0.00 WAT1 ATOM 1728 OH2 TIP3 98 -8.274 -21.993 -18.672 1.00 0.00 WAT1 ATOM 1729 H1 TIP3 98 -8.604 -21.071 -18.569 1.00 0.00 WAT1 ATOM 1730 H2 TIP3 98 -7.618 -21.931 -19.406 1.00 0.00 WAT1 ATOM 1731 OH2 TIP3 99 -7.965 -27.091 -34.057 1.00 0.00 WAT1 ATOM 1732 H1 TIP3 99 -8.484 -27.747 -34.562 1.00 0.00 WAT1 ATOM 1733 H2 TIP3 99 -7.032 -27.321 -34.267 1.00 0.00 WAT1 ATOM 1734 OH2 TIP3 100 -4.238 -26.565 -24.277 1.00 0.00 WAT1 ATOM 1735 H1 TIP3 100 -3.940 -26.971 -23.440 1.00 0.00 WAT1 ATOM 1736 H2 TIP3 100 -3.472 -26.681 -24.877 1.00 0.00 WAT1 ATOM 1737 OH2 TIP3 101 -11.312 -25.217 -32.688 1.00 0.00 WAT1 ATOM 1738 H1 TIP3 101 -12.130 -24.723 -32.562 1.00 0.00 WAT1 ATOM 1739 H2 TIP3 101 -10.599 -24.544 -32.540 1.00 0.00 WAT1 ATOM 1740 OH2 TIP3 102 -10.337 -24.245 -36.445 1.00 0.00 WAT1 ATOM 1741 H1 TIP3 102 -11.020 -23.820 -36.970 1.00 0.00 WAT1 ATOM 1742 H2 TIP3 102 -10.781 -25.036 -36.068 1.00 0.00 WAT1 ATOM 1743 OH2 TIP3 103 -7.406 -29.156 -27.012 1.00 0.00 WAT1 ATOM 1744 H1 TIP3 103 -7.865 -28.909 -27.835 1.00 0.00 WAT1 ATOM 1745 H2 TIP3 103 -6.894 -28.349 -26.773 1.00 0.00 WAT1 ATOM 1746 OH2 TIP3 104 -8.359 -27.017 -21.219 1.00 0.00 WAT1 ATOM 1747 H1 TIP3 104 -8.672 -27.715 -21.799 1.00 0.00 WAT1 ATOM 1748 H2 TIP3 104 -8.986 -26.276 -21.377 1.00 0.00 WAT1 ATOM 1749 OH2 TIP3 105 -5.136 -21.287 -30.716 1.00 0.00 WAT1 ATOM 1750 H1 TIP3 105 -4.983 -20.356 -30.442 1.00 0.00 WAT1 ATOM 1751 H2 TIP3 105 -5.433 -21.733 -29.889 1.00 0.00 WAT1 ATOM 1752 OH2 TIP3 106 -3.695 -16.550 -24.375 1.00 0.00 WAT1 ATOM 1753 H1 TIP3 106 -3.914 -15.638 -24.078 1.00 0.00 WAT1 ATOM 1754 H2 TIP3 106 -4.360 -16.742 -25.079 1.00 0.00 WAT1 ATOM 1755 OH2 TIP3 107 -10.343 -23.483 -19.723 1.00 0.00 WAT1 ATOM 1756 H1 TIP3 107 -10.941 -23.458 -18.971 1.00 0.00 WAT1 ATOM 1757 H2 TIP3 107 -9.544 -23.004 -19.408 1.00 0.00 WAT1 ATOM 1758 OH2 TIP3 108 3.715 -19.136 -32.116 1.00 0.00 WAT1 ATOM 1759 H1 TIP3 108 3.942 -18.222 -31.918 1.00 0.00 WAT1 ATOM 1760 H2 TIP3 108 4.410 -19.425 -32.749 1.00 0.00 WAT1 ATOM 1761 OH2 TIP3 109 -6.142 -22.560 -28.435 1.00 0.00 WAT1 ATOM 1762 H1 TIP3 109 -6.427 -22.163 -27.587 1.00 0.00 WAT1 ATOM 1763 H2 TIP3 109 -6.923 -23.067 -28.739 1.00 0.00 WAT1 ATOM 1764 OH2 TIP3 110 -6.069 -19.002 -21.584 1.00 0.00 WAT1 ATOM 1765 H1 TIP3 110 -5.987 -18.029 -21.694 1.00 0.00 WAT1 ATOM 1766 H2 TIP3 110 -6.460 -19.299 -22.427 1.00 0.00 WAT1 ATOM 1767 OH2 TIP3 111 -4.530 -18.740 -29.668 1.00 0.00 WAT1 ATOM 1768 H1 TIP3 111 -3.706 -18.290 -29.941 1.00 0.00 WAT1 ATOM 1769 H2 TIP3 111 -4.370 -18.973 -28.735 1.00 0.00 WAT1 ATOM 1770 OH2 TIP3 112 2.876 -14.601 -31.443 1.00 0.00 WAT1 ATOM 1771 H1 TIP3 112 2.217 -14.836 -32.128 1.00 0.00 WAT1 ATOM 1772 H2 TIP3 112 3.372 -13.855 -31.835 1.00 0.00 WAT1 ATOM 1773 OH2 TIP3 113 -1.429 -19.967 -31.396 1.00 0.00 WAT1 ATOM 1774 H1 TIP3 113 -1.956 -19.771 -32.183 1.00 0.00 WAT1 ATOM 1775 H2 TIP3 113 -1.655 -19.242 -30.769 1.00 0.00 WAT1 ATOM 1776 OH2 TIP3 114 -5.044 -24.646 -22.349 1.00 0.00 WAT1 ATOM 1777 H1 TIP3 114 -4.851 -25.230 -23.111 1.00 0.00 WAT1 ATOM 1778 H2 TIP3 114 -5.559 -23.905 -22.739 1.00 0.00 WAT1 ATOM 1779 OH2 TIP3 115 -3.174 -24.022 -20.417 1.00 0.00 WAT1 ATOM 1780 H1 TIP3 115 -3.861 -24.252 -21.079 1.00 0.00 WAT1 ATOM 1781 H2 TIP3 115 -3.145 -23.049 -20.435 1.00 0.00 WAT1 ATOM 1782 OH2 TIP3 116 -7.982 -24.250 -29.701 1.00 0.00 WAT1 ATOM 1783 H1 TIP3 116 -8.514 -25.058 -29.686 1.00 0.00 WAT1 ATOM 1784 H2 TIP3 116 -7.286 -24.434 -30.375 1.00 0.00 WAT1 ATOM 1785 OH2 TIP3 117 -7.153 -15.399 -19.975 1.00 0.00 WAT1 ATOM 1786 H1 TIP3 117 -6.535 -14.816 -19.486 1.00 0.00 WAT1 ATOM 1787 H2 TIP3 117 -7.165 -16.229 -19.452 1.00 0.00 WAT1 ATOM 1788 OH2 TIP3 118 1.099 -15.238 -33.435 1.00 0.00 WAT1 ATOM 1789 H1 TIP3 118 0.996 -14.361 -33.862 1.00 0.00 WAT1 ATOM 1790 H2 TIP3 118 1.621 -15.753 -34.082 1.00 0.00 WAT1 ATOM 1791 OH2 TIP3 119 -2.924 -21.346 -21.348 1.00 0.00 WAT1 ATOM 1792 H1 TIP3 119 -2.151 -21.807 -21.735 1.00 0.00 WAT1 ATOM 1793 H2 TIP3 119 -3.587 -21.349 -22.063 1.00 0.00 WAT1 ATOM 1794 OH2 TIP3 120 -10.203 -25.112 -21.896 1.00 0.00 WAT1 ATOM 1795 H1 TIP3 120 -10.223 -24.524 -21.104 1.00 0.00 WAT1 ATOM 1796 H2 TIP3 120 -10.720 -24.640 -22.551 1.00 0.00 WAT1 ATOM 1797 OH2 TIP3 121 -11.503 -26.368 -35.179 1.00 0.00 WAT1 ATOM 1798 H1 TIP3 121 -11.803 -27.272 -35.056 1.00 0.00 WAT1 ATOM 1799 H2 TIP3 121 -11.405 -26.020 -34.268 1.00 0.00 WAT1 ATOM 1800 OH2 TIP3 122 -5.183 -22.419 -14.382 1.00 0.00 WAT1 ATOM 1801 H1 TIP3 122 -5.885 -22.583 -15.057 1.00 0.00 WAT1 ATOM 1802 H2 TIP3 122 -4.367 -22.715 -14.820 1.00 0.00 WAT1 ATOM 1803 OH2 TIP3 123 1.281 -20.354 -33.897 1.00 0.00 WAT1 ATOM 1804 H1 TIP3 123 1.479 -19.757 -34.629 1.00 0.00 WAT1 ATOM 1805 H2 TIP3 123 1.505 -21.246 -34.247 1.00 0.00 WAT1 ATOM 1806 OH2 TIP3 124 -5.910 -26.266 -20.265 1.00 0.00 WAT1 ATOM 1807 H1 TIP3 124 -5.651 -25.614 -20.952 1.00 0.00 WAT1 ATOM 1808 H2 TIP3 124 -6.828 -26.528 -20.520 1.00 0.00 WAT1 ATOM 1809 OH2 TIP3 125 -6.535 -21.603 -20.734 1.00 0.00 WAT1 ATOM 1810 H1 TIP3 125 -6.291 -20.678 -20.926 1.00 0.00 WAT1 ATOM 1811 H2 TIP3 125 -6.531 -22.036 -21.607 1.00 0.00 WAT1 ATOM 1812 OH2 TIP3 126 -5.081 -24.938 -17.816 1.00 0.00 WAT1 ATOM 1813 H1 TIP3 126 -4.247 -25.387 -18.047 1.00 0.00 WAT1 ATOM 1814 H2 TIP3 126 -5.709 -25.250 -18.493 1.00 0.00 WAT1 ATOM 1815 OH2 TIP3 127 -4.276 -28.522 -20.308 1.00 0.00 WAT1 ATOM 1816 H1 TIP3 127 -3.807 -28.125 -21.069 1.00 0.00 WAT1 ATOM 1817 H2 TIP3 127 -5.010 -27.896 -20.129 1.00 0.00 WAT1 ATOM 1818 OH2 TIP3 128 -0.102 -30.403 -16.555 1.00 0.00 WAT1 ATOM 1819 H1 TIP3 128 -0.469 -30.834 -17.361 1.00 0.00 WAT1 ATOM 1820 H2 TIP3 128 -0.713 -29.674 -16.381 1.00 0.00 WAT1 ATOM 1821 OH2 TIP3 129 -1.622 -27.683 -32.185 1.00 0.00 WAT1 ATOM 1822 H1 TIP3 129 -0.863 -27.312 -32.672 1.00 0.00 WAT1 ATOM 1823 H2 TIP3 129 -1.367 -28.609 -32.015 1.00 0.00 WAT1 ATOM 1824 OH2 TIP3 130 -0.692 -17.270 -27.482 1.00 0.00 WAT1 ATOM 1825 H1 TIP3 130 0.272 -17.138 -27.579 1.00 0.00 WAT1 ATOM 1826 H2 TIP3 130 -0.808 -17.492 -26.533 1.00 0.00 WAT1 ATOM 1827 OH2 TIP3 131 -6.666 -17.899 -18.839 1.00 0.00 WAT1 ATOM 1828 H1 TIP3 131 -6.375 -18.494 -19.552 1.00 0.00 WAT1 ATOM 1829 H2 TIP3 131 -6.034 -18.072 -18.106 1.00 0.00 WAT1 ATOM 1830 OH2 TIP3 132 -5.695 -16.386 -22.041 1.00 0.00 WAT1 ATOM 1831 H1 TIP3 132 -6.308 -15.982 -21.386 1.00 0.00 WAT1 ATOM 1832 H2 TIP3 132 -5.197 -15.625 -22.399 1.00 0.00 WAT1 ATOM 1833 OH2 TIP3 133 -5.696 -33.303 -27.400 1.00 0.00 WAT1 ATOM 1834 H1 TIP3 133 -6.276 -34.043 -27.150 1.00 0.00 WAT1 ATOM 1835 H2 TIP3 133 -5.991 -32.563 -26.833 1.00 0.00 WAT1 ATOM 1836 OH2 TIP3 134 -7.284 -30.676 -30.166 1.00 0.00 WAT1 ATOM 1837 H1 TIP3 134 -7.679 -29.877 -29.785 1.00 0.00 WAT1 ATOM 1838 H2 TIP3 134 -7.421 -30.575 -31.125 1.00 0.00 WAT1 ATOM 1839 OH2 TIP3 135 1.301 -17.693 -29.991 1.00 0.00 WAT1 ATOM 1840 H1 TIP3 135 0.696 -17.084 -30.465 1.00 0.00 WAT1 ATOM 1841 H2 TIP3 135 1.767 -17.121 -29.361 1.00 0.00 WAT1 ATOM 1842 OH2 TIP3 136 -1.387 -31.235 -18.865 1.00 0.00 WAT1 ATOM 1843 H1 TIP3 136 -1.262 -31.880 -19.599 1.00 0.00 WAT1 ATOM 1844 H2 TIP3 136 -2.306 -30.956 -18.952 1.00 0.00 WAT1 ATOM 1845 OH2 TIP3 137 -0.162 -31.470 -7.341 1.00 0.00 WAT1 ATOM 1846 H1 TIP3 137 0.209 -32.205 -6.819 1.00 0.00 WAT1 ATOM 1847 H2 TIP3 137 0.294 -30.670 -6.983 1.00 0.00 WAT1 ATOM 1848 OH2 TIP3 138 1.388 -29.593 -6.223 1.00 0.00 WAT1 ATOM 1849 H1 TIP3 138 1.289 -28.710 -5.799 1.00 0.00 WAT1 ATOM 1850 H2 TIP3 138 1.749 -30.158 -5.508 1.00 0.00 WAT1 ATOM 1851 OH2 TIP3 139 -4.039 -15.074 -12.046 1.00 0.00 WAT1 ATOM 1852 H1 TIP3 139 -3.420 -14.981 -11.279 1.00 0.00 WAT1 ATOM 1853 H2 TIP3 139 -4.604 -15.816 -11.803 1.00 0.00 WAT1 ATOM 1854 OH2 TIP3 140 -6.501 -20.335 -13.162 1.00 0.00 WAT1 ATOM 1855 H1 TIP3 140 -6.043 -21.076 -13.616 1.00 0.00 WAT1 ATOM 1856 H2 TIP3 140 -6.872 -20.737 -12.372 1.00 0.00 WAT1 ATOM 1857 OH2 TIP3 141 -3.252 -23.785 -15.933 1.00 0.00 WAT1 ATOM 1858 H1 TIP3 141 -3.902 -23.955 -16.650 1.00 0.00 WAT1 ATOM 1859 H2 TIP3 141 -2.708 -23.040 -16.273 1.00 0.00 WAT1 ATOM 1860 OH2 TIP3 142 -0.871 -17.942 -7.557 1.00 0.00 WAT1 ATOM 1861 H1 TIP3 142 -0.185 -18.555 -7.272 1.00 0.00 WAT1 ATOM 1862 H2 TIP3 142 -1.382 -18.440 -8.206 1.00 0.00 WAT1 ATOM 1863 OH2 TIP3 143 -3.225 -24.398 -13.241 1.00 0.00 WAT1 ATOM 1864 H1 TIP3 143 -4.180 -24.353 -13.125 1.00 0.00 WAT1 ATOM 1865 H2 TIP3 143 -3.093 -24.264 -14.199 1.00 0.00 WAT1 ATOM 1866 OH2 TIP3 144 1.054 -29.766 -14.087 1.00 0.00 WAT1 ATOM 1867 H1 TIP3 144 0.369 -29.085 -13.925 1.00 0.00 WAT1 ATOM 1868 H2 TIP3 144 0.743 -30.226 -14.893 1.00 0.00 WAT1 ATOM 1869 OH2 TIP3 145 -2.973 -16.496 -17.146 1.00 0.00 WAT1 ATOM 1870 H1 TIP3 145 -2.954 -16.144 -16.230 1.00 0.00 WAT1 ATOM 1871 H2 TIP3 145 -3.632 -17.218 -17.109 1.00 0.00 WAT1 ATOM 1872 OH2 TIP3 146 -4.101 -12.483 -12.937 1.00 0.00 WAT1 ATOM 1873 H1 TIP3 146 -4.173 -13.405 -12.606 1.00 0.00 WAT1 ATOM 1874 H2 TIP3 146 -4.685 -11.979 -12.363 1.00 0.00 WAT1 ATOM 1875 OH2 TIP3 147 -2.820 -26.183 -18.808 1.00 0.00 WAT1 ATOM 1876 H1 TIP3 147 -3.265 -26.894 -19.297 1.00 0.00 WAT1 ATOM 1877 H2 TIP3 147 -2.845 -25.412 -19.428 1.00 0.00 WAT1 ATOM 1878 OH2 TIP3 148 -1.771 -26.268 -16.228 1.00 0.00 WAT1 ATOM 1879 H1 TIP3 148 -2.043 -26.372 -17.165 1.00 0.00 WAT1 ATOM 1880 H2 TIP3 148 -2.174 -25.422 -15.959 1.00 0.00 WAT1 ATOM 1881 OH2 TIP3 149 -6.228 -17.957 -14.404 1.00 0.00 WAT1 ATOM 1882 H1 TIP3 149 -7.082 -17.543 -14.262 1.00 0.00 WAT1 ATOM 1883 H2 TIP3 149 -6.290 -18.811 -13.912 1.00 0.00 WAT1 ATOM 1884 OH2 TIP3 150 1.514 -17.831 -13.131 1.00 0.00 WAT1 ATOM 1885 H1 TIP3 150 1.029 -17.210 -13.719 1.00 0.00 WAT1 ATOM 1886 H2 TIP3 150 0.836 -18.441 -12.823 1.00 0.00 WAT1 ATOM 1887 OH2 TIP3 151 -1.208 -15.224 -7.504 1.00 0.00 WAT1 ATOM 1888 H1 TIP3 151 -1.063 -16.196 -7.473 1.00 0.00 WAT1 ATOM 1889 H2 TIP3 151 -1.437 -14.989 -6.601 1.00 0.00 WAT1 ATOM 1890 OH2 TIP3 152 -9.040 -19.331 -18.492 1.00 0.00 WAT1 ATOM 1891 H1 TIP3 152 -9.775 -18.716 -18.427 1.00 0.00 WAT1 ATOM 1892 H2 TIP3 152 -8.253 -18.759 -18.582 1.00 0.00 WAT1 ATOM 1893 OH2 TIP3 153 -4.918 -18.491 -16.755 1.00 0.00 WAT1 ATOM 1894 H1 TIP3 153 -5.314 -18.181 -15.905 1.00 0.00 WAT1 ATOM 1895 H2 TIP3 153 -4.749 -19.431 -16.606 1.00 0.00 WAT1 ATOM 1896 OH2 TIP3 154 -2.958 -21.702 -12.384 1.00 0.00 WAT1 ATOM 1897 H1 TIP3 154 -2.758 -22.647 -12.478 1.00 0.00 WAT1 ATOM 1898 H2 TIP3 154 -3.743 -21.571 -12.926 1.00 0.00 WAT1 ATOM 1899 OH2 TIP3 155 2.119 -27.061 -9.508 1.00 0.00 WAT1 ATOM 1900 H1 TIP3 155 1.606 -26.731 -8.758 1.00 0.00 WAT1 ATOM 1901 H2 TIP3 155 1.473 -27.101 -10.240 1.00 0.00 WAT1 ATOM 1902 OH2 TIP3 156 0.582 -27.692 -11.772 1.00 0.00 WAT1 ATOM 1903 H1 TIP3 156 0.039 -27.467 -12.559 1.00 0.00 WAT1 ATOM 1904 H2 TIP3 156 -0.038 -28.197 -11.194 1.00 0.00 WAT1 ATOM 1905 OH2 TIP3 157 3.179 -27.447 -12.497 1.00 0.00 WAT1 ATOM 1906 H1 TIP3 157 2.251 -27.682 -12.241 1.00 0.00 WAT1 ATOM 1907 H2 TIP3 157 3.124 -26.508 -12.729 1.00 0.00 WAT1 ATOM 1908 OH2 TIP3 158 -0.989 -27.788 -14.067 1.00 0.00 WAT1 ATOM 1909 H1 TIP3 158 -1.068 -27.183 -14.844 1.00 0.00 WAT1 ATOM 1910 H2 TIP3 158 -1.898 -27.881 -13.754 1.00 0.00 WAT1 ATOM 1911 OH2 TIP3 159 1.497 -27.516 -4.462 1.00 0.00 WAT1 ATOM 1912 H1 TIP3 159 1.872 -27.974 -3.681 1.00 0.00 WAT1 ATOM 1913 H2 TIP3 159 1.178 -26.680 -4.113 1.00 0.00 WAT1 ATOM 1914 OH2 TIP3 160 -1.190 -28.887 -10.124 1.00 0.00 WAT1 ATOM 1915 H1 TIP3 160 -1.684 -29.699 -9.843 1.00 0.00 WAT1 ATOM 1916 H2 TIP3 160 -1.717 -28.160 -9.770 1.00 0.00 WAT1 ATOM 1917 OH2 TIP3 161 -2.197 -14.921 -10.065 1.00 0.00 WAT1 ATOM 1918 H1 TIP3 161 -1.334 -14.867 -10.487 1.00 0.00 WAT1 ATOM 1919 H2 TIP3 161 -1.991 -14.971 -9.106 1.00 0.00 WAT1 ATOM 1920 OH2 TIP3 162 3.022 -29.992 -8.414 1.00 0.00 WAT1 ATOM 1921 H1 TIP3 162 2.353 -30.400 -9.004 1.00 0.00 WAT1 ATOM 1922 H2 TIP3 162 2.519 -29.783 -7.595 1.00 0.00 WAT1 ATOM 1923 OH2 TIP3 163 -2.708 -15.350 -14.614 1.00 0.00 WAT1 ATOM 1924 H1 TIP3 163 -2.436 -14.408 -14.626 1.00 0.00 WAT1 ATOM 1925 H2 TIP3 163 -3.256 -15.427 -13.808 1.00 0.00 WAT1 ATOM 1926 OH2 TIP3 164 2.810 -13.190 -12.376 1.00 0.00 WAT1 ATOM 1927 H1 TIP3 164 3.039 -12.339 -12.810 1.00 0.00 WAT1 ATOM 1928 H2 TIP3 164 1.958 -13.451 -12.803 1.00 0.00 WAT1 ATOM 1929 OH2 TIP3 165 0.491 -10.997 -31.805 1.00 0.00 WAT1 ATOM 1930 H1 TIP3 165 0.816 -10.254 -31.244 1.00 0.00 WAT1 ATOM 1931 H2 TIP3 165 0.954 -10.871 -32.657 1.00 0.00 WAT1 ATOM 1932 OH2 TIP3 166 2.071 -10.541 -34.073 1.00 0.00 WAT1 ATOM 1933 H1 TIP3 166 1.964 -9.790 -34.687 1.00 0.00 WAT1 ATOM 1934 H2 TIP3 166 3.021 -10.515 -33.835 1.00 0.00 WAT1 ATOM 1935 OH2 TIP3 167 4.677 -9.712 -37.143 1.00 0.00 WAT1 ATOM 1936 H1 TIP3 167 4.842 -10.564 -36.661 1.00 0.00 WAT1 ATOM 1937 H2 TIP3 167 3.967 -9.277 -36.623 1.00 0.00 WAT1 ATOM 1938 OH2 TIP3 168 -3.190 -8.651 -23.121 1.00 0.00 WAT1 ATOM 1939 H1 TIP3 168 -3.903 -9.311 -23.177 1.00 0.00 WAT1 ATOM 1940 H2 TIP3 168 -2.815 -8.629 -24.026 1.00 0.00 WAT1 ATOM 1941 OH2 TIP3 169 -2.500 -9.097 -25.810 1.00 0.00 WAT1 ATOM 1942 H1 TIP3 169 -2.139 -9.557 -26.587 1.00 0.00 WAT1 ATOM 1943 H2 TIP3 169 -3.422 -9.438 -25.738 1.00 0.00 WAT1 ATOM 1944 OH2 TIP3 170 0.139 -2.781 -21.260 1.00 0.00 WAT1 ATOM 1945 H1 TIP3 170 0.372 -1.960 -21.704 1.00 0.00 WAT1 ATOM 1946 H2 TIP3 170 1.000 -3.163 -20.990 1.00 0.00 WAT1 ATOM 1947 OH2 TIP3 171 -3.228 -6.887 -21.045 1.00 0.00 WAT1 ATOM 1948 H1 TIP3 171 -2.505 -6.232 -21.152 1.00 0.00 WAT1 ATOM 1949 H2 TIP3 171 -3.199 -7.415 -21.880 1.00 0.00 WAT1 ATOM 1950 OH2 TIP3 172 -0.476 -16.093 -31.407 1.00 0.00 WAT1 ATOM 1951 H1 TIP3 172 0.089 -15.891 -32.191 1.00 0.00 WAT1 ATOM 1952 H2 TIP3 172 -1.018 -15.276 -31.290 1.00 0.00 WAT1 ATOM 1953 OH2 TIP3 173 -1.783 -9.976 -20.844 1.00 0.00 WAT1 ATOM 1954 H1 TIP3 173 -1.243 -9.175 -21.043 1.00 0.00 WAT1 ATOM 1955 H2 TIP3 173 -2.683 -9.727 -21.124 1.00 0.00 WAT1 ATOM 1956 OH2 TIP3 174 -6.367 -13.045 -21.606 1.00 0.00 WAT1 ATOM 1957 H1 TIP3 174 -7.175 -13.555 -21.452 1.00 0.00 WAT1 ATOM 1958 H2 TIP3 174 -5.897 -13.082 -20.745 1.00 0.00 WAT1 ATOM 1959 OH2 TIP3 175 -2.462 -12.782 -26.186 1.00 0.00 WAT1 ATOM 1960 H1 TIP3 175 -3.444 -12.819 -26.247 1.00 0.00 WAT1 ATOM 1961 H2 TIP3 175 -2.154 -13.489 -26.803 1.00 0.00 WAT1 ATOM 1962 OH2 TIP3 176 -4.545 -9.295 -20.436 1.00 0.00 WAT1 ATOM 1963 H1 TIP3 176 -4.294 -9.393 -19.496 1.00 0.00 WAT1 ATOM 1964 H2 TIP3 176 -4.349 -8.359 -20.638 1.00 0.00 WAT1 ATOM 1965 OH2 TIP3 177 -4.838 -10.370 -25.307 1.00 0.00 WAT1 ATOM 1966 H1 TIP3 177 -5.088 -10.501 -24.367 1.00 0.00 WAT1 ATOM 1967 H2 TIP3 177 -5.018 -11.236 -25.723 1.00 0.00 WAT1 ATOM 1968 OH2 TIP3 178 -3.103 -6.431 -18.352 1.00 0.00 WAT1 ATOM 1969 H1 TIP3 178 -3.536 -5.583 -18.201 1.00 0.00 WAT1 ATOM 1970 H2 TIP3 178 -3.188 -6.576 -19.323 1.00 0.00 WAT1 ATOM 1971 OH2 TIP3 179 -5.204 -10.734 -22.628 1.00 0.00 WAT1 ATOM 1972 H1 TIP3 179 -5.079 -10.215 -21.800 1.00 0.00 WAT1 ATOM 1973 H2 TIP3 179 -5.706 -11.521 -22.341 1.00 0.00 WAT1 ATOM 1974 OH2 TIP3 180 -5.297 -13.565 -19.096 1.00 0.00 WAT1 ATOM 1975 H1 TIP3 180 -4.359 -13.850 -19.008 1.00 0.00 WAT1 ATOM 1976 H2 TIP3 180 -5.390 -12.861 -18.443 1.00 0.00 WAT1 ATOM 1977 OH2 TIP3 181 -1.313 -10.782 -27.734 1.00 0.00 WAT1 ATOM 1978 H1 TIP3 181 -1.811 -11.459 -27.228 1.00 0.00 WAT1 ATOM 1979 H2 TIP3 181 -0.850 -11.297 -28.429 1.00 0.00 WAT1 ATOM 1980 OH2 TIP3 182 -0.534 -6.703 -17.377 1.00 0.00 WAT1 ATOM 1981 H1 TIP3 182 -1.481 -6.727 -17.629 1.00 0.00 WAT1 ATOM 1982 H2 TIP3 182 -0.256 -5.785 -17.587 1.00 0.00 WAT1 ATOM 1983 OH2 TIP3 183 -1.055 -5.221 -20.833 1.00 0.00 WAT1 ATOM 1984 H1 TIP3 183 -0.804 -4.386 -21.282 1.00 0.00 WAT1 ATOM 1985 H2 TIP3 183 -0.749 -5.092 -19.914 1.00 0.00 WAT1 ATOM 1986 OH2 TIP3 184 -2.559 -11.765 -17.010 1.00 0.00 WAT1 ATOM 1987 H1 TIP3 184 -3.271 -11.111 -17.110 1.00 0.00 WAT1 ATOM 1988 H2 TIP3 184 -1.773 -11.316 -17.395 1.00 0.00 WAT1 ATOM 1989 OH2 TIP3 185 -2.598 -12.903 -21.108 1.00 0.00 WAT1 ATOM 1990 H1 TIP3 185 -2.484 -13.332 -20.235 1.00 0.00 WAT1 ATOM 1991 H2 TIP3 185 -2.403 -11.964 -20.938 1.00 0.00 WAT1 ATOM 1992 OH2 TIP3 186 -0.095 -7.805 -20.935 1.00 0.00 WAT1 ATOM 1993 H1 TIP3 186 0.610 -7.689 -20.269 1.00 0.00 WAT1 ATOM 1994 H2 TIP3 186 -0.407 -6.896 -21.114 1.00 0.00 WAT1 ATOM 1995 OH2 TIP3 187 1.649 -7.608 -18.785 1.00 0.00 WAT1 ATOM 1996 H1 TIP3 187 1.861 -8.491 -18.402 1.00 0.00 WAT1 ATOM 1997 H2 TIP3 187 0.903 -7.283 -18.234 1.00 0.00 WAT1 ATOM 1998 OH2 TIP3 188 -1.123 -14.519 -27.763 1.00 0.00 WAT1 ATOM 1999 H1 TIP3 188 -0.604 -14.145 -28.493 1.00 0.00 WAT1 ATOM 2000 H2 TIP3 188 -0.970 -15.479 -27.825 1.00 0.00 WAT1 ATOM 2001 OH2 TIP3 189 1.634 -13.054 -35.059 1.00 0.00 WAT1 ATOM 2002 H1 TIP3 189 1.566 -12.876 -36.021 1.00 0.00 WAT1 ATOM 2003 H2 TIP3 189 1.753 -12.164 -34.657 1.00 0.00 WAT1 ATOM 2004 OH2 TIP3 190 -7.363 -13.056 -27.972 1.00 0.00 WAT1 ATOM 2005 H1 TIP3 190 -8.093 -13.157 -27.326 1.00 0.00 WAT1 ATOM 2006 H2 TIP3 190 -7.584 -13.682 -28.682 1.00 0.00 WAT1 ATOM 2007 OH2 TIP3 191 -4.227 -14.220 -22.939 1.00 0.00 WAT1 ATOM 2008 H1 TIP3 191 -3.516 -13.809 -22.395 1.00 0.00 WAT1 ATOM 2009 H2 TIP3 191 -4.993 -13.625 -22.809 1.00 0.00 WAT1 ATOM 2010 OH2 TIP3 192 0.867 -15.863 -24.725 1.00 0.00 WAT1 ATOM 2011 H1 TIP3 192 1.628 -16.471 -24.907 1.00 0.00 WAT1 ATOM 2012 H2 TIP3 192 0.105 -16.464 -24.627 1.00 0.00 WAT1 ATOM 2013 OH2 TIP3 193 -5.214 -12.905 -26.321 1.00 0.00 WAT1 ATOM 2014 H1 TIP3 193 -5.858 -12.765 -27.057 1.00 0.00 WAT1 ATOM 2015 H2 TIP3 193 -5.497 -13.733 -25.921 1.00 0.00 WAT1 ATOM 2016 OH2 TIP3 194 -2.701 -14.162 -18.545 1.00 0.00 WAT1 ATOM 2017 H1 TIP3 194 -2.504 -13.528 -17.826 1.00 0.00 WAT1 ATOM 2018 H2 TIP3 194 -2.702 -15.043 -18.098 1.00 0.00 WAT1 ATOM 2019 OH2 TIP3 195 0.005 -16.187 -14.723 1.00 0.00 WAT1 ATOM 2020 H1 TIP3 195 -0.969 -16.100 -14.782 1.00 0.00 WAT1 ATOM 2021 H2 TIP3 195 0.296 -16.281 -15.657 1.00 0.00 WAT1 ATOM 2022 OH2 TIP3 196 -3.368 -9.154 -17.934 1.00 0.00 WAT1 ATOM 2023 H1 TIP3 196 -2.417 -9.372 -18.008 1.00 0.00 WAT1 ATOM 2024 H2 TIP3 196 -3.386 -8.175 -17.905 1.00 0.00 WAT1 ATOM 2025 OH2 TIP3 197 3.556 -6.806 -16.350 1.00 0.00 WAT1 ATOM 2026 H1 TIP3 197 2.781 -7.331 -16.033 1.00 0.00 WAT1 ATOM 2027 H2 TIP3 197 3.218 -6.333 -17.119 1.00 0.00 WAT1 ATOM 2028 OH2 TIP3 198 -0.796 -10.147 -18.272 1.00 0.00 WAT1 ATOM 2029 H1 TIP3 198 0.177 -10.076 -18.221 1.00 0.00 WAT1 ATOM 2030 H2 TIP3 198 -0.994 -10.101 -19.233 1.00 0.00 WAT1 ATOM 2031 OH2 TIP3 199 1.261 -8.082 -15.680 1.00 0.00 WAT1 ATOM 2032 H1 TIP3 199 0.450 -7.705 -16.073 1.00 0.00 WAT1 ATOM 2033 H2 TIP3 199 1.021 -9.002 -15.468 1.00 0.00 WAT1 ATOM 2034 OH2 TIP3 200 1.326 -10.885 -15.335 1.00 0.00 WAT1 ATOM 2035 H1 TIP3 200 2.071 -10.814 -14.700 1.00 0.00 WAT1 ATOM 2036 H2 TIP3 200 0.809 -11.637 -15.008 1.00 0.00 WAT1 ATOM 2037 OH2 TIP3 201 -1.920 -12.722 -14.535 1.00 0.00 WAT1 ATOM 2038 H1 TIP3 201 -2.143 -12.294 -15.392 1.00 0.00 WAT1 ATOM 2039 H2 TIP3 201 -2.649 -12.443 -13.930 1.00 0.00 WAT1 ATOM 2040 OH2 TIP3 202 6.192 -35.161 -41.679 1.00 0.00 WAT1 ATOM 2041 H1 TIP3 202 6.146 -34.244 -41.350 1.00 0.00 WAT1 ATOM 2042 H2 TIP3 202 7.144 -35.400 -41.590 1.00 0.00 WAT1 ATOM 2043 OH2 TIP3 203 7.773 -37.840 -34.721 1.00 0.00 WAT1 ATOM 2044 H1 TIP3 203 7.730 -38.427 -33.939 1.00 0.00 WAT1 ATOM 2045 H2 TIP3 203 6.845 -37.792 -35.035 1.00 0.00 WAT1 ATOM 2046 OH2 TIP3 204 7.607 -33.920 -34.090 1.00 0.00 WAT1 ATOM 2047 H1 TIP3 204 7.459 -34.520 -33.342 1.00 0.00 WAT1 ATOM 2048 H2 TIP3 204 6.741 -33.466 -34.196 1.00 0.00 WAT1 ATOM 2049 OH2 TIP3 205 8.943 -34.836 -38.503 1.00 0.00 WAT1 ATOM 2050 H1 TIP3 205 9.111 -35.280 -37.642 1.00 0.00 WAT1 ATOM 2051 H2 TIP3 205 8.009 -34.536 -38.434 1.00 0.00 WAT1 ATOM 2052 OH2 TIP3 206 4.426 -36.963 -40.691 1.00 0.00 WAT1 ATOM 2053 H1 TIP3 206 4.200 -37.531 -41.431 1.00 0.00 WAT1 ATOM 2054 H2 TIP3 206 5.063 -36.313 -41.073 1.00 0.00 WAT1 ATOM 2055 OH2 TIP3 207 16.826 -32.804 -35.385 1.00 0.00 WAT1 ATOM 2056 H1 TIP3 207 16.562 -33.670 -35.026 1.00 0.00 WAT1 ATOM 2057 H2 TIP3 207 16.045 -32.512 -35.907 1.00 0.00 WAT1 ATOM 2058 OH2 TIP3 208 3.761 -40.610 -31.948 1.00 0.00 WAT1 ATOM 2059 H1 TIP3 208 3.219 -40.366 -31.169 1.00 0.00 WAT1 ATOM 2060 H2 TIP3 208 3.404 -40.057 -32.671 1.00 0.00 WAT1 ATOM 2061 OH2 TIP3 209 8.765 -35.765 -41.056 1.00 0.00 WAT1 ATOM 2062 H1 TIP3 209 9.414 -36.465 -41.152 1.00 0.00 WAT1 ATOM 2063 H2 TIP3 209 8.922 -35.413 -40.151 1.00 0.00 WAT1 ATOM 2064 OH2 TIP3 210 12.058 -29.710 -34.955 1.00 0.00 WAT1 ATOM 2065 H1 TIP3 210 11.939 -30.288 -34.174 1.00 0.00 WAT1 ATOM 2066 H2 TIP3 210 11.286 -29.917 -35.527 1.00 0.00 WAT1 ATOM 2067 OH2 TIP3 211 4.721 -36.361 -38.056 1.00 0.00 WAT1 ATOM 2068 H1 TIP3 211 3.818 -36.153 -37.785 1.00 0.00 WAT1 ATOM 2069 H2 TIP3 211 4.624 -36.693 -38.980 1.00 0.00 WAT1 ATOM 2070 OH2 TIP3 212 11.763 -36.923 -31.314 1.00 0.00 WAT1 ATOM 2071 H1 TIP3 212 12.447 -36.292 -30.983 1.00 0.00 WAT1 ATOM 2072 H2 TIP3 212 11.037 -36.847 -30.669 1.00 0.00 WAT1 ATOM 2073 OH2 TIP3 213 2.983 -38.705 -33.883 1.00 0.00 WAT1 ATOM 2074 H1 TIP3 213 3.028 -38.031 -33.180 1.00 0.00 WAT1 ATOM 2075 H2 TIP3 213 3.750 -38.502 -34.458 1.00 0.00 WAT1 ATOM 2076 OH2 TIP3 214 8.980 -35.530 -35.849 1.00 0.00 WAT1 ATOM 2077 H1 TIP3 214 8.700 -36.410 -35.519 1.00 0.00 WAT1 ATOM 2078 H2 TIP3 214 8.477 -34.898 -35.290 1.00 0.00 WAT1 ATOM 2079 OH2 TIP3 215 11.337 -40.111 -34.827 1.00 0.00 WAT1 ATOM 2080 H1 TIP3 215 11.811 -39.598 -34.130 1.00 0.00 WAT1 ATOM 2081 H2 TIP3 215 10.473 -39.680 -34.891 1.00 0.00 WAT1 ATOM 2082 OH2 TIP3 216 5.087 -37.578 -35.520 1.00 0.00 WAT1 ATOM 2083 H1 TIP3 216 4.664 -36.756 -35.175 1.00 0.00 WAT1 ATOM 2084 H2 TIP3 216 5.119 -37.438 -36.484 1.00 0.00 WAT1 ATOM 2085 OH2 TIP3 217 5.785 -32.682 -40.499 1.00 0.00 WAT1 ATOM 2086 H1 TIP3 217 5.115 -32.272 -41.055 1.00 0.00 WAT1 ATOM 2087 H2 TIP3 217 6.121 -31.944 -39.942 1.00 0.00 WAT1 ATOM 2088 OH2 TIP3 218 6.350 -34.128 -38.183 1.00 0.00 WAT1 ATOM 2089 H1 TIP3 218 5.862 -34.976 -38.075 1.00 0.00 WAT1 ATOM 2090 H2 TIP3 218 6.057 -33.791 -39.055 1.00 0.00 WAT1 ATOM 2091 OH2 TIP3 219 9.971 -32.836 -36.891 1.00 0.00 WAT1 ATOM 2092 H1 TIP3 219 9.741 -33.393 -37.659 1.00 0.00 WAT1 ATOM 2093 H2 TIP3 219 9.881 -33.434 -36.134 1.00 0.00 WAT1 ATOM 2094 OH2 TIP3 220 5.350 -32.276 -36.444 1.00 0.00 WAT1 ATOM 2095 H1 TIP3 220 5.783 -33.041 -36.880 1.00 0.00 WAT1 ATOM 2096 H2 TIP3 220 5.239 -32.566 -35.502 1.00 0.00 WAT1 ATOM 2097 OH2 TIP3 221 6.665 -30.712 -38.779 1.00 0.00 WAT1 ATOM 2098 H1 TIP3 221 6.707 -31.195 -37.935 1.00 0.00 WAT1 ATOM 2099 H2 TIP3 221 7.458 -30.140 -38.770 1.00 0.00 WAT1 ATOM 2100 OH2 TIP3 222 15.505 -35.134 -34.304 1.00 0.00 WAT1 ATOM 2101 H1 TIP3 222 14.651 -34.793 -34.591 1.00 0.00 WAT1 ATOM 2102 H2 TIP3 222 15.449 -36.097 -34.486 1.00 0.00 WAT1 ATOM 2103 OH2 TIP3 223 16.387 -41.174 -17.309 1.00 0.00 WAT1 ATOM 2104 H1 TIP3 223 15.835 -41.520 -18.037 1.00 0.00 WAT1 ATOM 2105 H2 TIP3 223 17.125 -41.819 -17.231 1.00 0.00 WAT1 ATOM 2106 OH2 TIP3 224 6.082 -39.919 -24.357 1.00 0.00 WAT1 ATOM 2107 H1 TIP3 224 6.396 -40.164 -25.251 1.00 0.00 WAT1 ATOM 2108 H2 TIP3 224 6.885 -39.671 -23.884 1.00 0.00 WAT1 ATOM 2109 OH2 TIP3 225 14.625 -39.252 -28.295 1.00 0.00 WAT1 ATOM 2110 H1 TIP3 225 14.659 -39.986 -27.642 1.00 0.00 WAT1 ATOM 2111 H2 TIP3 225 15.032 -38.507 -27.836 1.00 0.00 WAT1 ATOM 2112 OH2 TIP3 226 3.970 -42.082 -28.428 1.00 0.00 WAT1 ATOM 2113 H1 TIP3 226 3.672 -41.975 -27.506 1.00 0.00 WAT1 ATOM 2114 H2 TIP3 226 3.351 -41.539 -28.942 1.00 0.00 WAT1 ATOM 2115 OH2 TIP3 227 14.690 -44.133 -22.954 1.00 0.00 WAT1 ATOM 2116 H1 TIP3 227 13.861 -44.401 -22.501 1.00 0.00 WAT1 ATOM 2117 H2 TIP3 227 15.027 -43.388 -22.416 1.00 0.00 WAT1 ATOM 2118 OH2 TIP3 228 11.235 -44.744 -28.543 1.00 0.00 WAT1 ATOM 2119 H1 TIP3 228 10.697 -45.429 -28.946 1.00 0.00 WAT1 ATOM 2120 H2 TIP3 228 11.400 -44.107 -29.274 1.00 0.00 WAT1 ATOM 2121 OH2 TIP3 229 3.218 -41.309 -25.741 1.00 0.00 WAT1 ATOM 2122 H1 TIP3 229 3.030 -40.488 -25.247 1.00 0.00 WAT1 ATOM 2123 H2 TIP3 229 3.253 -41.992 -25.051 1.00 0.00 WAT1 ATOM 2124 OH2 TIP3 230 7.397 -40.629 -26.878 1.00 0.00 WAT1 ATOM 2125 H1 TIP3 230 7.059 -41.178 -27.620 1.00 0.00 WAT1 ATOM 2126 H2 TIP3 230 7.997 -41.238 -26.382 1.00 0.00 WAT1 ATOM 2127 OH2 TIP3 231 3.208 -34.071 -27.299 1.00 0.00 WAT1 ATOM 2128 H1 TIP3 231 4.000 -34.642 -27.142 1.00 0.00 WAT1 ATOM 2129 H2 TIP3 231 2.715 -34.110 -26.458 1.00 0.00 WAT1 ATOM 2130 OH2 TIP3 232 12.074 -38.688 -29.182 1.00 0.00 WAT1 ATOM 2131 H1 TIP3 232 12.967 -39.014 -28.957 1.00 0.00 WAT1 ATOM 2132 H2 TIP3 232 12.163 -38.363 -30.093 1.00 0.00 WAT1 ATOM 2133 OH2 TIP3 233 11.857 -42.426 -33.251 1.00 0.00 WAT1 ATOM 2134 H1 TIP3 233 12.823 -42.508 -33.374 1.00 0.00 WAT1 ATOM 2135 H2 TIP3 233 11.595 -41.728 -33.877 1.00 0.00 WAT1 ATOM 2136 OH2 TIP3 234 17.056 -44.430 -20.904 1.00 0.00 WAT1 ATOM 2137 H1 TIP3 234 16.662 -43.547 -21.031 1.00 0.00 WAT1 ATOM 2138 H2 TIP3 234 16.721 -44.946 -21.647 1.00 0.00 WAT1 ATOM 2139 OH2 TIP3 235 14.344 -42.357 -30.791 1.00 0.00 WAT1 ATOM 2140 H1 TIP3 235 15.049 -42.538 -30.129 1.00 0.00 WAT1 ATOM 2141 H2 TIP3 235 14.710 -42.687 -31.633 1.00 0.00 WAT1 ATOM 2142 OH2 TIP3 236 15.710 -42.058 -21.410 1.00 0.00 WAT1 ATOM 2143 H1 TIP3 236 16.374 -41.323 -21.388 1.00 0.00 WAT1 ATOM 2144 H2 TIP3 236 15.141 -41.886 -20.625 1.00 0.00 WAT1 ATOM 2145 OH2 TIP3 237 8.244 -39.897 -29.834 1.00 0.00 WAT1 ATOM 2146 H1 TIP3 237 7.310 -39.583 -29.751 1.00 0.00 WAT1 ATOM 2147 H2 TIP3 237 8.181 -40.857 -29.690 1.00 0.00 WAT1 ATOM 2148 OH2 TIP3 238 8.756 -39.256 -21.841 1.00 0.00 WAT1 ATOM 2149 H1 TIP3 238 9.597 -39.015 -22.296 1.00 0.00 WAT1 ATOM 2150 H2 TIP3 238 8.966 -39.137 -20.883 1.00 0.00 WAT1 ATOM 2151 OH2 TIP3 239 14.674 -42.517 -33.647 1.00 0.00 WAT1 ATOM 2152 H1 TIP3 239 15.048 -41.603 -33.632 1.00 0.00 WAT1 ATOM 2153 H2 TIP3 239 15.145 -42.951 -34.364 1.00 0.00 WAT1 ATOM 2154 OH2 TIP3 240 6.160 -41.778 -31.858 1.00 0.00 WAT1 ATOM 2155 H1 TIP3 240 5.271 -41.342 -31.799 1.00 0.00 WAT1 ATOM 2156 H2 TIP3 240 5.997 -42.573 -32.375 1.00 0.00 WAT1 ATOM 2157 OH2 TIP3 241 18.875 -44.607 -18.830 1.00 0.00 WAT1 ATOM 2158 H1 TIP3 241 18.309 -44.187 -18.171 1.00 0.00 WAT1 ATOM 2159 H2 TIP3 241 18.315 -44.648 -19.637 1.00 0.00 WAT1 ATOM 2160 OH2 TIP3 242 15.726 -40.025 -33.448 1.00 0.00 WAT1 ATOM 2161 H1 TIP3 242 15.636 -39.203 -33.964 1.00 0.00 WAT1 ATOM 2162 H2 TIP3 242 15.447 -39.772 -32.546 1.00 0.00 WAT1 ATOM 2163 OH2 TIP3 243 9.395 -41.830 -22.682 1.00 0.00 WAT1 ATOM 2164 H1 TIP3 243 8.727 -42.352 -22.190 1.00 0.00 WAT1 ATOM 2165 H2 TIP3 243 9.171 -40.898 -22.473 1.00 0.00 WAT1 ATOM 2166 OH2 TIP3 244 9.252 -41.925 -25.430 1.00 0.00 WAT1 ATOM 2167 H1 TIP3 244 9.333 -41.937 -24.456 1.00 0.00 WAT1 ATOM 2168 H2 TIP3 244 10.014 -42.461 -25.740 1.00 0.00 WAT1 ATOM 2169 OH2 TIP3 245 14.414 -39.646 -31.038 1.00 0.00 WAT1 ATOM 2170 H1 TIP3 245 14.659 -39.390 -30.127 1.00 0.00 WAT1 ATOM 2171 H2 TIP3 245 14.255 -40.615 -30.977 1.00 0.00 WAT1 ATOM 2172 OH2 TIP3 246 11.757 -44.020 -19.098 1.00 0.00 WAT1 ATOM 2173 H1 TIP3 246 11.622 -43.047 -19.172 1.00 0.00 WAT1 ATOM 2174 H2 TIP3 246 12.113 -44.142 -18.213 1.00 0.00 WAT1 ATOM 2175 OH2 TIP3 247 14.164 -43.774 -25.612 1.00 0.00 WAT1 ATOM 2176 H1 TIP3 247 14.568 -44.535 -26.044 1.00 0.00 WAT1 ATOM 2177 H2 TIP3 247 14.364 -43.906 -24.654 1.00 0.00 WAT1 ATOM 2178 OH2 TIP3 248 7.591 -42.952 -20.885 1.00 0.00 WAT1 ATOM 2179 H1 TIP3 248 7.922 -42.515 -20.078 1.00 0.00 WAT1 ATOM 2180 H2 TIP3 248 7.625 -43.915 -20.666 1.00 0.00 WAT1 ATOM 2181 OH2 TIP3 249 14.269 -41.393 -19.177 1.00 0.00 WAT1 ATOM 2182 H1 TIP3 249 14.322 -40.483 -19.566 1.00 0.00 WAT1 ATOM 2183 H2 TIP3 249 13.311 -41.576 -19.145 1.00 0.00 WAT1 ATOM 2184 OH2 TIP3 250 11.502 -43.305 -26.265 1.00 0.00 WAT1 ATOM 2185 H1 TIP3 250 11.369 -43.967 -26.985 1.00 0.00 WAT1 ATOM 2186 H2 TIP3 250 12.410 -43.483 -25.942 1.00 0.00 WAT1 ATOM 2187 OH2 TIP3 251 6.620 -42.109 -29.158 1.00 0.00 WAT1 ATOM 2188 H1 TIP3 251 5.693 -42.239 -28.855 1.00 0.00 WAT1 ATOM 2189 H2 TIP3 251 6.537 -42.010 -30.130 1.00 0.00 WAT1 ATOM 2190 OH2 TIP3 252 11.285 -39.128 -22.671 1.00 0.00 WAT1 ATOM 2191 H1 TIP3 252 11.908 -39.868 -22.621 1.00 0.00 WAT1 ATOM 2192 H2 TIP3 252 11.740 -38.391 -22.178 1.00 0.00 WAT1 ATOM 2193 OH2 TIP3 253 12.198 -41.839 -22.657 1.00 0.00 WAT1 ATOM 2194 H1 TIP3 253 11.230 -41.804 -22.813 1.00 0.00 WAT1 ATOM 2195 H2 TIP3 253 12.352 -42.751 -22.342 1.00 0.00 WAT1 ATOM 2196 OH2 TIP3 254 15.587 -38.066 -22.829 1.00 0.00 WAT1 ATOM 2197 H1 TIP3 254 15.066 -38.755 -23.292 1.00 0.00 WAT1 ATOM 2198 H2 TIP3 254 14.923 -37.351 -22.633 1.00 0.00 WAT1 ATOM 2199 OH2 TIP3 255 11.693 -42.902 -30.534 1.00 0.00 WAT1 ATOM 2200 H1 TIP3 255 12.659 -42.718 -30.520 1.00 0.00 WAT1 ATOM 2201 H2 TIP3 255 11.450 -42.799 -31.481 1.00 0.00 WAT1 ATOM 2202 OH2 TIP3 256 18.760 -37.792 -20.163 1.00 0.00 WAT1 ATOM 2203 H1 TIP3 256 19.638 -37.503 -19.868 1.00 0.00 WAT1 ATOM 2204 H2 TIP3 256 18.738 -37.555 -21.122 1.00 0.00 WAT1 ATOM 2205 OH2 TIP3 257 16.404 -33.949 -29.029 1.00 0.00 WAT1 ATOM 2206 H1 TIP3 257 16.290 -32.967 -28.978 1.00 0.00 WAT1 ATOM 2207 H2 TIP3 257 16.334 -34.145 -29.990 1.00 0.00 WAT1 ATOM 2208 OH2 TIP3 258 14.494 -40.567 -23.594 1.00 0.00 WAT1 ATOM 2209 H1 TIP3 258 13.600 -40.928 -23.406 1.00 0.00 WAT1 ATOM 2210 H2 TIP3 258 15.071 -41.033 -22.964 1.00 0.00 WAT1 ATOM 2211 OH2 TIP3 259 14.692 -37.784 -34.817 1.00 0.00 WAT1 ATOM 2212 H1 TIP3 259 14.500 -38.373 -35.577 1.00 0.00 WAT1 ATOM 2213 H2 TIP3 259 13.965 -37.970 -34.186 1.00 0.00 WAT1 ATOM 2214 OH2 TIP3 260 15.922 -34.223 -31.693 1.00 0.00 WAT1 ATOM 2215 H1 TIP3 260 15.830 -34.630 -32.580 1.00 0.00 WAT1 ATOM 2216 H2 TIP3 260 16.516 -33.452 -31.846 1.00 0.00 WAT1 ATOM 2217 OH2 TIP3 261 3.783 -45.118 -22.439 1.00 0.00 WAT1 ATOM 2218 H1 TIP3 261 3.991 -45.749 -23.135 1.00 0.00 WAT1 ATOM 2219 H2 TIP3 261 3.529 -45.683 -21.670 1.00 0.00 WAT1 ATOM 2220 OH2 TIP3 262 14.425 -35.061 -27.569 1.00 0.00 WAT1 ATOM 2221 H1 TIP3 262 14.312 -34.433 -26.833 1.00 0.00 WAT1 ATOM 2222 H2 TIP3 262 15.228 -34.740 -28.035 1.00 0.00 WAT1 ATOM 2223 OH2 TIP3 263 3.459 -36.699 -29.060 1.00 0.00 WAT1 ATOM 2224 H1 TIP3 263 4.267 -36.376 -28.598 1.00 0.00 WAT1 ATOM 2225 H2 TIP3 263 2.832 -36.870 -28.339 1.00 0.00 WAT1 ATOM 2226 OH2 TIP3 264 10.953 -41.438 -28.294 1.00 0.00 WAT1 ATOM 2227 H1 TIP3 264 11.148 -41.876 -29.148 1.00 0.00 WAT1 ATOM 2228 H2 TIP3 264 11.205 -42.098 -27.623 1.00 0.00 WAT1 ATOM 2229 OH2 TIP3 265 12.265 -44.470 -21.728 1.00 0.00 WAT1 ATOM 2230 H1 TIP3 265 11.478 -44.955 -22.003 1.00 0.00 WAT1 ATOM 2231 H2 TIP3 265 12.165 -44.385 -20.751 1.00 0.00 WAT1 ATOM 2232 OH2 TIP3 266 14.879 -41.229 -26.324 1.00 0.00 WAT1 ATOM 2233 H1 TIP3 266 14.492 -42.121 -26.173 1.00 0.00 WAT1 ATOM 2234 H2 TIP3 266 14.856 -40.811 -25.438 1.00 0.00 WAT1 ATOM 2235 OH2 TIP3 267 13.703 -35.387 -30.232 1.00 0.00 WAT1 ATOM 2236 H1 TIP3 267 14.030 -35.332 -29.314 1.00 0.00 WAT1 ATOM 2237 H2 TIP3 267 14.432 -35.012 -30.769 1.00 0.00 WAT1 ATOM 2238 OH2 TIP3 268 5.373 -37.632 -32.333 1.00 0.00 WAT1 ATOM 2239 H1 TIP3 268 5.823 -36.779 -32.486 1.00 0.00 WAT1 ATOM 2240 H2 TIP3 268 6.090 -38.297 -32.399 1.00 0.00 WAT1 ATOM 2241 OH2 TIP3 269 13.578 -39.826 -36.396 1.00 0.00 WAT1 ATOM 2242 H1 TIP3 269 13.537 -40.527 -37.052 1.00 0.00 WAT1 ATOM 2243 H2 TIP3 269 12.772 -39.956 -35.854 1.00 0.00 WAT1 ATOM 2244 OH2 TIP3 270 7.475 -39.403 -32.432 1.00 0.00 WAT1 ATOM 2245 H1 TIP3 270 7.014 -40.270 -32.397 1.00 0.00 WAT1 ATOM 2246 H2 TIP3 270 8.069 -39.424 -31.655 1.00 0.00 WAT1 ATOM 2247 OH2 TIP3 271 11.483 -41.350 -19.348 1.00 0.00 WAT1 ATOM 2248 H1 TIP3 271 11.349 -40.896 -20.195 1.00 0.00 WAT1 ATOM 2249 H2 TIP3 271 11.214 -40.673 -18.670 1.00 0.00 WAT1 ATOM 2250 OH2 TIP3 272 12.800 -38.687 -33.036 1.00 0.00 WAT1 ATOM 2251 H1 TIP3 272 13.381 -39.101 -32.360 1.00 0.00 WAT1 ATOM 2252 H2 TIP3 272 12.316 -37.987 -32.536 1.00 0.00 WAT1 ATOM 2253 OH2 TIP3 273 8.433 -41.695 -18.472 1.00 0.00 WAT1 ATOM 2254 H1 TIP3 273 9.142 -42.273 -18.149 1.00 0.00 WAT1 ATOM 2255 H2 TIP3 273 8.899 -40.843 -18.676 1.00 0.00 WAT1 ATOM 2256 OH2 TIP3 274 14.342 -40.234 -15.744 1.00 0.00 WAT1 ATOM 2257 H1 TIP3 274 13.721 -39.898 -16.400 1.00 0.00 WAT1 ATOM 2258 H2 TIP3 274 15.123 -40.511 -16.273 1.00 0.00 WAT1 ATOM 2259 OH2 TIP3 275 14.215 -39.086 -20.512 1.00 0.00 WAT1 ATOM 2260 H1 TIP3 275 13.509 -38.397 -20.623 1.00 0.00 WAT1 ATOM 2261 H2 TIP3 275 14.910 -38.807 -21.121 1.00 0.00 WAT1 ATOM 2262 OH2 TIP3 276 6.616 -43.409 -13.051 1.00 0.00 WAT1 ATOM 2263 H1 TIP3 276 5.678 -43.626 -13.001 1.00 0.00 WAT1 ATOM 2264 H2 TIP3 276 6.808 -43.402 -13.998 1.00 0.00 WAT1 ATOM 2265 OH2 TIP3 277 7.385 -45.506 -20.019 1.00 0.00 WAT1 ATOM 2266 H1 TIP3 277 7.646 -46.428 -19.948 1.00 0.00 WAT1 ATOM 2267 H2 TIP3 277 6.551 -45.452 -19.509 1.00 0.00 WAT1 ATOM 2268 OH2 TIP3 278 5.032 -44.792 -18.775 1.00 0.00 WAT1 ATOM 2269 H1 TIP3 278 4.815 -44.060 -19.389 1.00 0.00 WAT1 ATOM 2270 H2 TIP3 278 5.469 -44.345 -18.015 1.00 0.00 WAT1 ATOM 2271 OH2 TIP3 279 2.914 -36.912 -31.662 1.00 0.00 WAT1 ATOM 2272 H1 TIP3 279 3.012 -36.877 -30.681 1.00 0.00 WAT1 ATOM 2273 H2 TIP3 279 3.833 -37.064 -31.982 1.00 0.00 WAT1 ATOM 2274 OH2 TIP3 280 15.747 -34.456 -23.746 1.00 0.00 WAT1 ATOM 2275 H1 TIP3 280 15.128 -34.005 -24.334 1.00 0.00 WAT1 ATOM 2276 H2 TIP3 280 15.169 -35.023 -23.176 1.00 0.00 WAT1 ATOM 2277 OH2 TIP3 281 16.045 -42.416 -28.633 1.00 0.00 WAT1 ATOM 2278 H1 TIP3 281 15.604 -42.023 -27.856 1.00 0.00 WAT1 ATOM 2279 H2 TIP3 281 16.981 -42.337 -28.438 1.00 0.00 WAT1 ATOM 2280 OH2 TIP3 282 4.049 -39.269 -27.463 1.00 0.00 WAT1 ATOM 2281 H1 TIP3 282 3.944 -40.035 -26.865 1.00 0.00 WAT1 ATOM 2282 H2 TIP3 282 4.265 -38.521 -26.861 1.00 0.00 WAT1 ATOM 2283 OH2 TIP3 283 18.368 -39.293 -17.770 1.00 0.00 WAT1 ATOM 2284 H1 TIP3 283 17.602 -39.898 -17.747 1.00 0.00 WAT1 ATOM 2285 H2 TIP3 283 18.305 -38.856 -18.638 1.00 0.00 WAT1 ATOM 2286 OH2 TIP3 284 18.643 -42.645 -16.520 1.00 0.00 WAT1 ATOM 2287 H1 TIP3 284 18.910 -42.235 -15.678 1.00 0.00 WAT1 ATOM 2288 H2 TIP3 284 19.484 -42.979 -16.893 1.00 0.00 WAT1 ATOM 2289 OH2 TIP3 285 3.441 -46.559 -20.152 1.00 0.00 WAT1 ATOM 2290 H1 TIP3 285 3.969 -45.994 -19.548 1.00 0.00 WAT1 ATOM 2291 H2 TIP3 285 3.074 -47.238 -19.580 1.00 0.00 WAT1 ATOM 2292 OH2 TIP3 286 4.839 -43.062 -20.970 1.00 0.00 WAT1 ATOM 2293 H1 TIP3 286 4.552 -43.835 -21.509 1.00 0.00 WAT1 ATOM 2294 H2 TIP3 286 5.798 -42.983 -21.158 1.00 0.00 WAT1 ATOM 2295 OH2 TIP3 287 18.886 -30.656 -29.865 1.00 0.00 WAT1 ATOM 2296 H1 TIP3 287 18.129 -30.153 -29.508 1.00 0.00 WAT1 ATOM 2297 H2 TIP3 287 19.217 -31.171 -29.094 1.00 0.00 WAT1 ATOM 2298 OH2 TIP3 288 15.500 -41.087 -9.086 1.00 0.00 WAT1 ATOM 2299 H1 TIP3 288 15.193 -41.814 -8.524 1.00 0.00 WAT1 ATOM 2300 H2 TIP3 288 14.732 -40.897 -9.667 1.00 0.00 WAT1 ATOM 2301 OH2 TIP3 289 12.049 -37.863 -5.916 1.00 0.00 WAT1 ATOM 2302 H1 TIP3 289 11.315 -38.124 -6.513 1.00 0.00 WAT1 ATOM 2303 H2 TIP3 289 12.710 -38.573 -6.029 1.00 0.00 WAT1 ATOM 2304 OH2 TIP3 290 7.701 -35.746 -9.746 1.00 0.00 WAT1 ATOM 2305 H1 TIP3 290 8.251 -36.541 -9.917 1.00 0.00 WAT1 ATOM 2306 H2 TIP3 290 6.776 -36.065 -9.875 1.00 0.00 WAT1 ATOM 2307 OH2 TIP3 291 13.218 -36.543 -3.733 1.00 0.00 WAT1 ATOM 2308 H1 TIP3 291 12.646 -37.105 -4.294 1.00 0.00 WAT1 ATOM 2309 H2 TIP3 291 14.060 -36.476 -4.247 1.00 0.00 WAT1 ATOM 2310 OH2 TIP3 292 9.186 -41.280 -3.945 1.00 0.00 WAT1 ATOM 2311 H1 TIP3 292 9.216 -42.260 -4.085 1.00 0.00 WAT1 ATOM 2312 H2 TIP3 292 8.694 -41.176 -3.126 1.00 0.00 WAT1 ATOM 2313 OH2 TIP3 293 9.365 -43.932 -4.476 1.00 0.00 WAT1 ATOM 2314 H1 TIP3 293 9.107 -44.854 -4.569 1.00 0.00 WAT1 ATOM 2315 H2 TIP3 293 10.036 -43.796 -5.179 1.00 0.00 WAT1 ATOM 2316 OH2 TIP3 294 3.900 -37.929 -3.601 1.00 0.00 WAT1 ATOM 2317 H1 TIP3 294 3.419 -37.987 -2.769 1.00 0.00 WAT1 ATOM 2318 H2 TIP3 294 4.267 -38.810 -3.727 1.00 0.00 WAT1 ATOM 2319 OH2 TIP3 295 9.017 -36.433 -6.008 1.00 0.00 WAT1 ATOM 2320 H1 TIP3 295 9.150 -37.352 -6.318 1.00 0.00 WAT1 ATOM 2321 H2 TIP3 295 8.669 -36.532 -5.097 1.00 0.00 WAT1 ATOM 2322 OH2 TIP3 296 4.114 -38.619 -12.447 1.00 0.00 WAT1 ATOM 2323 H1 TIP3 296 3.847 -38.759 -13.380 1.00 0.00 WAT1 ATOM 2324 H2 TIP3 296 3.316 -38.818 -11.945 1.00 0.00 WAT1 ATOM 2325 OH2 TIP3 297 18.604 -35.560 -3.406 1.00 0.00 WAT1 ATOM 2326 H1 TIP3 297 17.910 -35.072 -3.920 1.00 0.00 WAT1 ATOM 2327 H2 TIP3 297 18.262 -36.471 -3.360 1.00 0.00 WAT1 ATOM 2328 OH2 TIP3 298 13.243 -40.610 -10.616 1.00 0.00 WAT1 ATOM 2329 H1 TIP3 298 12.351 -40.286 -10.841 1.00 0.00 WAT1 ATOM 2330 H2 TIP3 298 13.732 -40.571 -11.471 1.00 0.00 WAT1 ATOM 2331 OH2 TIP3 299 14.528 -40.266 -13.013 1.00 0.00 WAT1 ATOM 2332 H1 TIP3 299 15.020 -39.426 -12.946 1.00 0.00 WAT1 ATOM 2333 H2 TIP3 299 14.318 -40.341 -13.972 1.00 0.00 WAT1 ATOM 2334 OH2 TIP3 300 16.427 -40.597 -5.305 1.00 0.00 WAT1 ATOM 2335 H1 TIP3 300 17.017 -40.722 -6.082 1.00 0.00 WAT1 ATOM 2336 H2 TIP3 300 16.661 -41.349 -4.707 1.00 0.00 WAT1 ATOM 2337 OH2 TIP3 301 16.669 -38.652 -9.714 1.00 0.00 WAT1 ATOM 2338 H1 TIP3 301 16.395 -38.229 -8.878 1.00 0.00 WAT1 ATOM 2339 H2 TIP3 301 16.271 -39.540 -9.671 1.00 0.00 WAT1 ATOM 2340 OH2 TIP3 302 13.851 -40.026 -6.077 1.00 0.00 WAT1 ATOM 2341 H1 TIP3 302 14.732 -40.303 -5.732 1.00 0.00 WAT1 ATOM 2342 H2 TIP3 302 13.209 -40.425 -5.443 1.00 0.00 WAT1 ATOM 2343 OH2 TIP3 303 8.700 -42.748 -7.903 1.00 0.00 WAT1 ATOM 2344 H1 TIP3 303 8.588 -43.122 -8.796 1.00 0.00 WAT1 ATOM 2345 H2 TIP3 303 9.519 -43.153 -7.572 1.00 0.00 WAT1 ATOM 2346 OH2 TIP3 304 11.390 -35.008 -6.009 1.00 0.00 WAT1 ATOM 2347 H1 TIP3 304 12.232 -35.489 -6.001 1.00 0.00 WAT1 ATOM 2348 H2 TIP3 304 10.717 -35.708 -5.891 1.00 0.00 WAT1 ATOM 2349 OH2 TIP3 305 19.049 -38.469 -11.045 1.00 0.00 WAT1 ATOM 2350 H1 TIP3 305 18.208 -38.533 -10.541 1.00 0.00 WAT1 ATOM 2351 H2 TIP3 305 18.819 -38.799 -11.939 1.00 0.00 WAT1 ATOM 2352 OH2 TIP3 306 8.110 -43.094 -10.714 1.00 0.00 WAT1 ATOM 2353 H1 TIP3 306 8.952 -42.849 -11.109 1.00 0.00 WAT1 ATOM 2354 H2 TIP3 306 7.531 -43.291 -11.486 1.00 0.00 WAT1 ATOM 2355 OH2 TIP3 307 2.001 -35.007 -7.678 1.00 0.00 WAT1 ATOM 2356 H1 TIP3 307 1.670 -34.349 -7.047 1.00 0.00 WAT1 ATOM 2357 H2 TIP3 307 2.462 -35.666 -7.117 1.00 0.00 WAT1 ATOM 2358 OH2 TIP3 308 10.746 -36.362 -2.118 1.00 0.00 WAT1 ATOM 2359 H1 TIP3 308 11.484 -36.976 -2.251 1.00 0.00 WAT1 ATOM 2360 H2 TIP3 308 11.169 -35.480 -2.110 1.00 0.00 WAT1 ATOM 2361 OH2 TIP3 309 12.820 -41.750 -8.067 1.00 0.00 WAT1 ATOM 2362 H1 TIP3 309 13.168 -41.043 -7.488 1.00 0.00 WAT1 ATOM 2363 H2 TIP3 309 12.841 -41.359 -8.961 1.00 0.00 WAT1 ATOM 2364 OH2 TIP3 310 11.210 -43.054 -6.322 1.00 0.00 WAT1 ATOM 2365 H1 TIP3 310 11.781 -42.803 -7.081 1.00 0.00 WAT1 ATOM 2366 H2 TIP3 310 11.493 -42.448 -5.606 1.00 0.00 WAT1 ATOM 2367 OH2 TIP3 311 9.925 -38.533 -7.535 1.00 0.00 WAT1 ATOM 2368 H1 TIP3 311 9.384 -39.294 -7.215 1.00 0.00 WAT1 ATOM 2369 H2 TIP3 311 9.620 -38.394 -8.453 1.00 0.00 WAT1 ATOM 2370 OH2 TIP3 312 7.420 -39.273 -14.312 1.00 0.00 WAT1 ATOM 2371 H1 TIP3 312 7.266 -39.310 -13.345 1.00 0.00 WAT1 ATOM 2372 H2 TIP3 312 8.367 -39.491 -14.414 1.00 0.00 WAT1 ATOM 2373 OH2 TIP3 313 15.857 -38.131 -7.052 1.00 0.00 WAT1 ATOM 2374 H1 TIP3 313 15.713 -37.382 -6.424 1.00 0.00 WAT1 ATOM 2375 H2 TIP3 313 15.155 -38.768 -6.826 1.00 0.00 WAT1 ATOM 2376 OH2 TIP3 314 10.839 -32.952 -4.264 1.00 0.00 WAT1 ATOM 2377 H1 TIP3 314 11.360 -33.248 -3.482 1.00 0.00 WAT1 ATOM 2378 H2 TIP3 314 11.108 -33.576 -4.976 1.00 0.00 WAT1 ATOM 2379 OH2 TIP3 315 17.080 -41.759 -13.531 1.00 0.00 WAT1 ATOM 2380 H1 TIP3 315 16.398 -41.772 -12.843 1.00 0.00 WAT1 ATOM 2381 H2 TIP3 315 16.592 -41.917 -14.351 1.00 0.00 WAT1 ATOM 2382 OH2 TIP3 316 6.805 -40.970 -9.524 1.00 0.00 WAT1 ATOM 2383 H1 TIP3 316 7.112 -41.017 -8.607 1.00 0.00 WAT1 ATOM 2384 H2 TIP3 316 7.159 -41.787 -9.933 1.00 0.00 WAT1 ATOM 2385 OH2 TIP3 317 15.428 -35.530 -2.112 1.00 0.00 WAT1 ATOM 2386 H1 TIP3 317 15.776 -35.094 -2.923 1.00 0.00 WAT1 ATOM 2387 H2 TIP3 317 14.707 -36.095 -2.439 1.00 0.00 WAT1 ATOM 2388 OH2 TIP3 318 22.038 -41.466 -16.142 1.00 0.00 WAT1 ATOM 2389 H1 TIP3 318 21.401 -41.520 -15.403 1.00 0.00 WAT1 ATOM 2390 H2 TIP3 318 21.792 -42.210 -16.721 1.00 0.00 WAT1 ATOM 2391 OH2 TIP3 319 21.199 -36.266 -4.157 1.00 0.00 WAT1 ATOM 2392 H1 TIP3 319 21.711 -35.425 -4.211 1.00 0.00 WAT1 ATOM 2393 H2 TIP3 319 20.270 -35.977 -4.032 1.00 0.00 WAT1 ATOM 2394 OH2 TIP3 320 4.631 -41.175 -16.593 1.00 0.00 WAT1 ATOM 2395 H1 TIP3 320 3.803 -41.229 -16.097 1.00 0.00 WAT1 ATOM 2396 H2 TIP3 320 4.934 -40.255 -16.448 1.00 0.00 WAT1 ATOM 2397 OH2 TIP3 321 8.934 -38.207 -10.187 1.00 0.00 WAT1 ATOM 2398 H1 TIP3 321 9.672 -38.608 -10.689 1.00 0.00 WAT1 ATOM 2399 H2 TIP3 321 8.130 -38.579 -10.610 1.00 0.00 WAT1 ATOM 2400 OH2 TIP3 322 8.250 -33.659 -4.813 1.00 0.00 WAT1 ATOM 2401 H1 TIP3 322 8.199 -34.484 -4.284 1.00 0.00 WAT1 ATOM 2402 H2 TIP3 322 9.098 -33.251 -4.535 1.00 0.00 WAT1 ATOM 2403 OH2 TIP3 323 4.972 -37.732 -7.653 1.00 0.00 WAT1 ATOM 2404 H1 TIP3 323 5.032 -37.357 -8.556 1.00 0.00 WAT1 ATOM 2405 H2 TIP3 323 5.344 -38.618 -7.741 1.00 0.00 WAT1 ATOM 2406 OH2 TIP3 324 6.692 -39.184 -11.574 1.00 0.00 WAT1 ATOM 2407 H1 TIP3 324 5.775 -39.036 -11.893 1.00 0.00 WAT1 ATOM 2408 H2 TIP3 324 6.592 -39.853 -10.855 1.00 0.00 WAT1 ATOM 2409 OH2 TIP3 325 11.910 -41.085 -4.426 1.00 0.00 WAT1 ATOM 2410 H1 TIP3 325 10.953 -40.983 -4.233 1.00 0.00 WAT1 ATOM 2411 H2 TIP3 325 12.349 -40.909 -3.559 1.00 0.00 WAT1 ATOM 2412 OH2 TIP3 326 6.435 -43.173 -17.076 1.00 0.00 WAT1 ATOM 2413 H1 TIP3 326 7.172 -42.663 -17.446 1.00 0.00 WAT1 ATOM 2414 H2 TIP3 326 5.767 -42.493 -16.836 1.00 0.00 WAT1 ATOM 2415 OH2 TIP3 327 5.141 -36.705 -10.232 1.00 0.00 WAT1 ATOM 2416 H1 TIP3 327 4.923 -37.260 -10.999 1.00 0.00 WAT1 ATOM 2417 H2 TIP3 327 4.421 -36.027 -10.214 1.00 0.00 WAT1 ATOM 2418 OH2 TIP3 328 16.538 -32.765 0.491 1.00 0.00 WAT1 ATOM 2419 H1 TIP3 328 17.278 -33.305 0.145 1.00 0.00 WAT1 ATOM 2420 H2 TIP3 328 16.761 -32.628 1.438 1.00 0.00 WAT1 ATOM 2421 OH2 TIP3 329 17.022 -38.174 -3.836 1.00 0.00 WAT1 ATOM 2422 H1 TIP3 329 16.526 -37.470 -4.325 1.00 0.00 WAT1 ATOM 2423 H2 TIP3 329 16.895 -38.979 -4.383 1.00 0.00 WAT1 ATOM 2424 OH2 TIP3 330 10.903 -39.444 -11.925 1.00 0.00 WAT1 ATOM 2425 H1 TIP3 330 10.458 -39.881 -12.669 1.00 0.00 WAT1 ATOM 2426 H2 TIP3 330 11.526 -38.827 -12.354 1.00 0.00 WAT1 ATOM 2427 OH2 TIP3 331 10.246 -39.546 -14.827 1.00 0.00 WAT1 ATOM 2428 H1 TIP3 331 10.330 -39.691 -15.804 1.00 0.00 WAT1 ATOM 2429 H2 TIP3 331 11.037 -39.025 -14.600 1.00 0.00 WAT1 ATOM 2430 OH2 TIP3 332 18.173 -39.269 -13.508 1.00 0.00 WAT1 ATOM 2431 H1 TIP3 332 17.857 -40.196 -13.510 1.00 0.00 WAT1 ATOM 2432 H2 TIP3 332 17.351 -38.736 -13.554 1.00 0.00 WAT1 ATOM 2433 OH2 TIP3 333 8.368 -40.456 -6.475 1.00 0.00 WAT1 ATOM 2434 H1 TIP3 333 8.637 -40.645 -5.553 1.00 0.00 WAT1 ATOM 2435 H2 TIP3 333 8.456 -41.322 -6.931 1.00 0.00 WAT1 ATOM 2436 OH2 TIP3 334 13.097 -40.460 -2.058 1.00 0.00 WAT1 ATOM 2437 H1 TIP3 334 13.818 -39.790 -2.014 1.00 0.00 WAT1 ATOM 2438 H2 TIP3 334 13.157 -40.924 -1.219 1.00 0.00 WAT1 ATOM 2439 OH2 TIP3 335 5.703 -38.692 -16.435 1.00 0.00 WAT1 ATOM 2440 H1 TIP3 335 6.271 -38.870 -15.645 1.00 0.00 WAT1 ATOM 2441 H2 TIP3 335 5.131 -37.944 -16.154 1.00 0.00 WAT1 ATOM 2442 OH2 TIP3 336 0.841 -30.850 -9.874 1.00 0.00 WAT1 ATOM 2443 H1 TIP3 336 0.199 -30.142 -10.076 1.00 0.00 WAT1 ATOM 2444 H2 TIP3 336 0.438 -31.325 -9.117 1.00 0.00 WAT1 ATOM 2445 OH2 TIP3 337 3.059 -34.966 -10.181 1.00 0.00 WAT1 ATOM 2446 H1 TIP3 337 2.699 -35.017 -9.263 1.00 0.00 WAT1 ATOM 2447 H2 TIP3 337 2.415 -34.434 -10.655 1.00 0.00 WAT1 ATOM 2448 OH2 TIP3 338 16.684 -36.918 -0.157 1.00 0.00 WAT1 ATOM 2449 H1 TIP3 338 16.282 -36.281 -0.797 1.00 0.00 WAT1 ATOM 2450 H2 TIP3 338 16.668 -36.442 0.696 1.00 0.00 WAT1 ATOM 2451 OH2 TIP3 339 20.157 -41.696 -14.103 1.00 0.00 WAT1 ATOM 2452 H1 TIP3 339 19.366 -41.842 -13.567 1.00 0.00 WAT1 ATOM 2453 H2 TIP3 339 20.774 -41.224 -13.496 1.00 0.00 WAT1 ATOM 2454 OH2 TIP3 340 17.900 -40.803 -7.616 1.00 0.00 WAT1 ATOM 2455 H1 TIP3 340 17.174 -40.885 -8.262 1.00 0.00 WAT1 ATOM 2456 H2 TIP3 340 18.160 -39.859 -7.663 1.00 0.00 WAT1 ATOM 2457 OH2 TIP3 341 19.870 -38.656 -15.586 1.00 0.00 WAT1 ATOM 2458 H1 TIP3 341 19.379 -38.986 -16.378 1.00 0.00 WAT1 ATOM 2459 H2 TIP3 341 19.347 -38.991 -14.823 1.00 0.00 WAT1 ATOM 2460 OH2 TIP3 342 21.036 -43.794 -17.382 1.00 0.00 WAT1 ATOM 2461 H1 TIP3 342 20.421 -44.178 -18.050 1.00 0.00 WAT1 ATOM 2462 H2 TIP3 342 21.688 -44.486 -17.237 1.00 0.00 WAT1 ATOM 2463 OH2 TIP3 343 17.209 -42.729 -3.832 1.00 0.00 WAT1 ATOM 2464 H1 TIP3 343 16.774 -43.569 -3.667 1.00 0.00 WAT1 ATOM 2465 H2 TIP3 343 18.063 -42.802 -3.348 1.00 0.00 WAT1 ATOM 2466 OH2 TIP3 344 15.210 -38.755 -1.736 1.00 0.00 WAT1 ATOM 2467 H1 TIP3 344 15.792 -38.605 -2.503 1.00 0.00 WAT1 ATOM 2468 H2 TIP3 344 15.606 -38.214 -1.029 1.00 0.00 WAT1 ATOM 2469 OH2 TIP3 345 19.476 -43.064 -2.352 1.00 0.00 WAT1 ATOM 2470 H1 TIP3 345 19.535 -42.281 -1.758 1.00 0.00 WAT1 ATOM 2471 H2 TIP3 345 20.252 -43.583 -2.135 1.00 0.00 WAT1 ATOM 2472 OH2 TIP3 346 8.370 -36.015 -3.352 1.00 0.00 WAT1 ATOM 2473 H1 TIP3 346 7.712 -36.218 -2.680 1.00 0.00 WAT1 ATOM 2474 H2 TIP3 346 9.235 -36.202 -2.906 1.00 0.00 WAT1 ATOM 2475 OH2 TIP3 347 12.416 -34.205 -2.447 1.00 0.00 WAT1 ATOM 2476 H1 TIP3 347 12.878 -34.938 -2.904 1.00 0.00 WAT1 ATOM 2477 H2 TIP3 347 13.128 -33.737 -1.960 1.00 0.00 WAT1 ATOM 2478 OH2 TIP3 348 2.295 -31.049 -4.074 1.00 0.00 WAT1 ATOM 2479 H1 TIP3 348 2.143 -30.328 -3.426 1.00 0.00 WAT1 ATOM 2480 H2 TIP3 348 3.187 -31.390 -3.843 1.00 0.00 WAT1 ATOM 2481 OH2 TIP3 349 3.510 -36.398 -5.828 1.00 0.00 WAT1 ATOM 2482 H1 TIP3 349 3.569 -36.909 -4.990 1.00 0.00 WAT1 ATOM 2483 H2 TIP3 349 4.076 -36.908 -6.459 1.00 0.00 WAT1 ATOM 2484 OH2 TIP3 350 4.011 -33.755 -5.579 1.00 0.00 WAT1 ATOM 2485 H1 TIP3 350 3.086 -33.464 -5.688 1.00 0.00 WAT1 ATOM 2486 H2 TIP3 350 3.964 -34.735 -5.673 1.00 0.00 WAT1 ATOM 2487 OH2 TIP3 351 6.657 -33.463 -11.123 1.00 0.00 WAT1 ATOM 2488 H1 TIP3 351 7.130 -34.197 -10.693 1.00 0.00 WAT1 ATOM 2489 H2 TIP3 351 6.259 -33.872 -11.919 1.00 0.00 WAT1 ATOM 2490 OH2 TIP3 352 16.675 -35.836 2.465 1.00 0.00 WAT1 ATOM 2491 H1 TIP3 352 16.293 -35.225 3.130 1.00 0.00 WAT1 ATOM 2492 H2 TIP3 352 16.514 -36.712 2.834 1.00 0.00 WAT1 ATOM 2493 OH2 TIP3 353 18.546 -34.074 -0.970 1.00 0.00 WAT1 ATOM 2494 H1 TIP3 353 19.323 -34.352 -0.443 1.00 0.00 WAT1 ATOM 2495 H2 TIP3 353 18.560 -34.671 -1.746 1.00 0.00 WAT1 ATOM 2496 OH2 TIP3 354 15.857 -34.678 4.901 1.00 0.00 WAT1 ATOM 2497 H1 TIP3 354 15.530 -35.137 5.680 1.00 0.00 WAT1 ATOM 2498 H2 TIP3 354 16.833 -34.627 5.045 1.00 0.00 WAT1 ATOM 2499 OH2 TIP3 355 20.787 -35.219 0.365 1.00 0.00 WAT1 ATOM 2500 H1 TIP3 355 20.992 -35.866 -0.347 1.00 0.00 WAT1 ATOM 2501 H2 TIP3 355 21.620 -35.156 0.870 1.00 0.00 WAT1 ATOM 2502 OH2 TIP3 356 16.063 -21.532 -39.747 1.00 0.00 WAT1 ATOM 2503 H1 TIP3 356 16.619 -21.212 -40.492 1.00 0.00 WAT1 ATOM 2504 H2 TIP3 356 15.209 -21.095 -39.886 1.00 0.00 WAT1 ATOM 2505 OH2 TIP3 357 14.945 -14.074 -43.555 1.00 0.00 WAT1 ATOM 2506 H1 TIP3 357 15.096 -13.154 -43.862 1.00 0.00 WAT1 ATOM 2507 H2 TIP3 357 15.394 -14.626 -44.224 1.00 0.00 WAT1 ATOM 2508 OH2 TIP3 358 18.426 -26.369 -38.482 1.00 0.00 WAT1 ATOM 2509 H1 TIP3 358 18.071 -26.819 -39.275 1.00 0.00 WAT1 ATOM 2510 H2 TIP3 358 18.538 -27.088 -37.829 1.00 0.00 WAT1 ATOM 2511 OH2 TIP3 359 8.990 -29.066 -39.075 1.00 0.00 WAT1 ATOM 2512 H1 TIP3 359 9.205 -28.105 -38.997 1.00 0.00 WAT1 ATOM 2513 H2 TIP3 359 9.283 -29.301 -39.962 1.00 0.00 WAT1 ATOM 2514 OH2 TIP3 360 10.689 -19.711 -38.158 1.00 0.00 WAT1 ATOM 2515 H1 TIP3 360 10.103 -19.086 -38.644 1.00 0.00 WAT1 ATOM 2516 H2 TIP3 360 10.074 -20.374 -37.794 1.00 0.00 WAT1 ATOM 2517 OH2 TIP3 361 8.455 -21.201 -36.998 1.00 0.00 WAT1 ATOM 2518 H1 TIP3 361 7.624 -21.186 -36.483 1.00 0.00 WAT1 ATOM 2519 H2 TIP3 361 8.990 -21.902 -36.565 1.00 0.00 WAT1 ATOM 2520 OH2 TIP3 362 15.087 -17.510 -42.882 1.00 0.00 WAT1 ATOM 2521 H1 TIP3 362 14.817 -16.778 -42.293 1.00 0.00 WAT1 ATOM 2522 H2 TIP3 362 14.672 -18.298 -42.487 1.00 0.00 WAT1 ATOM 2523 OH2 TIP3 363 15.963 -16.100 -47.852 1.00 0.00 WAT1 ATOM 2524 H1 TIP3 363 16.690 -16.737 -47.886 1.00 0.00 WAT1 ATOM 2525 H2 TIP3 363 15.784 -15.997 -46.898 1.00 0.00 WAT1 ATOM 2526 OH2 TIP3 364 18.165 -17.607 -46.138 1.00 0.00 WAT1 ATOM 2527 H1 TIP3 364 18.584 -18.157 -45.440 1.00 0.00 WAT1 ATOM 2528 H2 TIP3 364 18.921 -17.272 -46.661 1.00 0.00 WAT1 ATOM 2529 OH2 TIP3 365 20.599 -20.897 -36.311 1.00 0.00 WAT1 ATOM 2530 H1 TIP3 365 21.224 -21.112 -35.587 1.00 0.00 WAT1 ATOM 2531 H2 TIP3 365 20.597 -19.919 -36.336 1.00 0.00 WAT1 ATOM 2532 OH2 TIP3 366 18.119 -25.161 -42.508 1.00 0.00 WAT1 ATOM 2533 H1 TIP3 366 18.105 -24.451 -43.156 1.00 0.00 WAT1 ATOM 2534 H2 TIP3 366 18.512 -24.746 -41.703 1.00 0.00 WAT1 ATOM 2535 OH2 TIP3 367 15.133 -26.076 -39.960 1.00 0.00 WAT1 ATOM 2536 H1 TIP3 367 15.976 -26.541 -40.162 1.00 0.00 WAT1 ATOM 2537 H2 TIP3 367 14.695 -26.000 -40.815 1.00 0.00 WAT1 ATOM 2538 OH2 TIP3 368 14.165 -19.847 -41.601 1.00 0.00 WAT1 ATOM 2539 H1 TIP3 368 13.497 -20.390 -42.038 1.00 0.00 WAT1 ATOM 2540 H2 TIP3 368 13.841 -19.771 -40.670 1.00 0.00 WAT1 ATOM 2541 OH2 TIP3 369 8.670 -21.509 -39.700 1.00 0.00 WAT1 ATOM 2542 H1 TIP3 369 8.483 -21.445 -38.740 1.00 0.00 WAT1 ATOM 2543 H2 TIP3 369 8.721 -20.590 -39.992 1.00 0.00 WAT1 ATOM 2544 OH2 TIP3 370 6.462 -22.081 -35.081 1.00 0.00 WAT1 ATOM 2545 H1 TIP3 370 7.101 -22.546 -34.505 1.00 0.00 WAT1 ATOM 2546 H2 TIP3 370 5.791 -22.766 -35.291 1.00 0.00 WAT1 ATOM 2547 OH2 TIP3 371 15.632 -14.110 -49.640 1.00 0.00 WAT1 ATOM 2548 H1 TIP3 371 15.796 -14.842 -48.993 1.00 0.00 WAT1 ATOM 2549 H2 TIP3 371 14.684 -14.141 -49.794 1.00 0.00 WAT1 ATOM 2550 OH2 TIP3 372 15.670 -25.080 -33.057 1.00 0.00 WAT1 ATOM 2551 H1 TIP3 372 15.514 -24.205 -32.638 1.00 0.00 WAT1 ATOM 2552 H2 TIP3 372 15.623 -24.896 -34.016 1.00 0.00 WAT1 ATOM 2553 OH2 TIP3 373 3.850 -19.462 -37.404 1.00 0.00 WAT1 ATOM 2554 H1 TIP3 373 4.142 -19.095 -38.244 1.00 0.00 WAT1 ATOM 2555 H2 TIP3 373 4.405 -19.002 -36.739 1.00 0.00 WAT1 ATOM 2556 OH2 TIP3 374 14.145 -29.188 -36.743 1.00 0.00 WAT1 ATOM 2557 H1 TIP3 374 13.441 -29.359 -36.079 1.00 0.00 WAT1 ATOM 2558 H2 TIP3 374 13.773 -28.477 -37.308 1.00 0.00 WAT1 ATOM 2559 OH2 TIP3 375 13.350 -26.814 -37.939 1.00 0.00 WAT1 ATOM 2560 H1 TIP3 375 12.653 -26.131 -38.006 1.00 0.00 WAT1 ATOM 2561 H2 TIP3 375 14.015 -26.542 -38.607 1.00 0.00 WAT1 ATOM 2562 OH2 TIP3 376 3.467 -22.185 -37.038 1.00 0.00 WAT1 ATOM 2563 H1 TIP3 376 2.725 -22.196 -36.408 1.00 0.00 WAT1 ATOM 2564 H2 TIP3 376 3.618 -21.232 -37.215 1.00 0.00 WAT1 ATOM 2565 OH2 TIP3 377 10.483 -18.181 -35.876 1.00 0.00 WAT1 ATOM 2566 H1 TIP3 377 10.524 -18.809 -36.618 1.00 0.00 WAT1 ATOM 2567 H2 TIP3 377 11.202 -17.543 -36.066 1.00 0.00 WAT1 ATOM 2568 OH2 TIP3 378 5.754 -17.992 -36.122 1.00 0.00 WAT1 ATOM 2569 H1 TIP3 378 6.024 -17.802 -37.043 1.00 0.00 WAT1 ATOM 2570 H2 TIP3 378 5.687 -17.098 -35.705 1.00 0.00 WAT1 ATOM 2571 OH2 TIP3 379 15.614 -23.846 -38.336 1.00 0.00 WAT1 ATOM 2572 H1 TIP3 379 15.544 -24.599 -38.953 1.00 0.00 WAT1 ATOM 2573 H2 TIP3 379 15.848 -23.086 -38.909 1.00 0.00 WAT1 ATOM 2574 OH2 TIP3 380 8.669 -18.235 -39.286 1.00 0.00 WAT1 ATOM 2575 H1 TIP3 380 7.722 -18.357 -39.107 1.00 0.00 WAT1 ATOM 2576 H2 TIP3 380 8.790 -17.267 -39.259 1.00 0.00 WAT1 ATOM 2577 OH2 TIP3 381 4.594 -24.145 -35.584 1.00 0.00 WAT1 ATOM 2578 H1 TIP3 381 3.882 -24.827 -35.576 1.00 0.00 WAT1 ATOM 2579 H2 TIP3 381 4.298 -23.500 -36.269 1.00 0.00 WAT1 ATOM 2580 OH2 TIP3 382 8.473 -13.163 -37.335 1.00 0.00 WAT1 ATOM 2581 H1 TIP3 382 8.589 -13.583 -36.456 1.00 0.00 WAT1 ATOM 2582 H2 TIP3 382 8.330 -12.222 -37.129 1.00 0.00 WAT1 ATOM 2583 OH2 TIP3 383 13.337 -20.069 -39.024 1.00 0.00 WAT1 ATOM 2584 H1 TIP3 383 13.822 -20.018 -38.189 1.00 0.00 WAT1 ATOM 2585 H2 TIP3 383 12.393 -19.976 -38.759 1.00 0.00 WAT1 ATOM 2586 OH2 TIP3 384 9.733 -26.437 -38.874 1.00 0.00 WAT1 ATOM 2587 H1 TIP3 384 10.456 -25.886 -38.505 1.00 0.00 WAT1 ATOM 2588 H2 TIP3 384 9.132 -25.783 -39.299 1.00 0.00 WAT1 ATOM 2589 OH2 TIP3 385 4.129 -16.030 -40.422 1.00 0.00 WAT1 ATOM 2590 H1 TIP3 385 3.533 -16.524 -40.996 1.00 0.00 WAT1 ATOM 2591 H2 TIP3 385 3.546 -15.700 -39.697 1.00 0.00 WAT1 ATOM 2592 OH2 TIP3 386 11.500 -24.748 -37.660 1.00 0.00 WAT1 ATOM 2593 H1 TIP3 386 10.976 -23.954 -37.842 1.00 0.00 WAT1 ATOM 2594 H2 TIP3 386 11.894 -24.574 -36.775 1.00 0.00 WAT1 ATOM 2595 OH2 TIP3 387 12.507 -24.061 -35.214 1.00 0.00 WAT1 ATOM 2596 H1 TIP3 387 13.463 -24.190 -35.394 1.00 0.00 WAT1 ATOM 2597 H2 TIP3 387 12.386 -24.425 -34.307 1.00 0.00 WAT1 ATOM 2598 OH2 TIP3 388 15.938 -27.293 -35.678 1.00 0.00 WAT1 ATOM 2599 H1 TIP3 388 15.576 -26.404 -35.862 1.00 0.00 WAT1 ATOM 2600 H2 TIP3 388 15.315 -27.905 -36.127 1.00 0.00 WAT1 ATOM 2601 OH2 TIP3 389 5.674 -19.705 -33.958 1.00 0.00 WAT1 ATOM 2602 H1 TIP3 389 5.892 -20.564 -34.379 1.00 0.00 WAT1 ATOM 2603 H2 TIP3 389 5.712 -19.062 -34.697 1.00 0.00 WAT1 ATOM 2604 OH2 TIP3 390 16.508 -20.667 -37.071 1.00 0.00 WAT1 ATOM 2605 H1 TIP3 390 16.484 -21.094 -37.948 1.00 0.00 WAT1 ATOM 2606 H2 TIP3 390 16.265 -21.374 -36.453 1.00 0.00 WAT1 ATOM 2607 OH2 TIP3 391 8.293 -24.259 -39.731 1.00 0.00 WAT1 ATOM 2608 H1 TIP3 391 8.595 -23.339 -39.895 1.00 0.00 WAT1 ATOM 2609 H2 TIP3 391 7.355 -24.164 -39.532 1.00 0.00 WAT1 ATOM 2610 OH2 TIP3 392 8.412 -25.577 -35.285 1.00 0.00 WAT1 ATOM 2611 H1 TIP3 392 9.066 -26.274 -35.508 1.00 0.00 WAT1 ATOM 2612 H2 TIP3 392 8.814 -24.761 -35.621 1.00 0.00 WAT1 ATOM 2613 OH2 TIP3 393 10.161 -27.421 -36.258 1.00 0.00 WAT1 ATOM 2614 H1 TIP3 393 9.990 -27.126 -37.171 1.00 0.00 WAT1 ATOM 2615 H2 TIP3 393 10.065 -28.394 -36.299 1.00 0.00 WAT1 ATOM 2616 OH2 TIP3 394 9.928 -23.090 -35.695 1.00 0.00 WAT1 ATOM 2617 H1 TIP3 394 9.472 -23.069 -34.828 1.00 0.00 WAT1 ATOM 2618 H2 TIP3 394 10.859 -23.308 -35.472 1.00 0.00 WAT1 ATOM 2619 OH2 TIP3 395 15.188 -24.469 -35.761 1.00 0.00 WAT1 ATOM 2620 H1 TIP3 395 15.318 -24.337 -36.733 1.00 0.00 WAT1 ATOM 2621 H2 TIP3 395 15.512 -23.623 -35.364 1.00 0.00 WAT1 ATOM 2622 OH2 TIP3 396 5.907 -26.219 -34.322 1.00 0.00 WAT1 ATOM 2623 H1 TIP3 396 5.465 -25.422 -34.679 1.00 0.00 WAT1 ATOM 2624 H2 TIP3 396 6.844 -26.115 -34.604 1.00 0.00 WAT1 ATOM 2625 OH2 TIP3 397 9.985 -30.131 -36.713 1.00 0.00 WAT1 ATOM 2626 H1 TIP3 397 9.624 -29.866 -37.584 1.00 0.00 WAT1 ATOM 2627 H2 TIP3 397 9.950 -31.119 -36.729 1.00 0.00 WAT1 ATOM 2628 OH2 TIP3 398 13.017 -27.056 -35.050 1.00 0.00 WAT1 ATOM 2629 H1 TIP3 398 12.336 -27.753 -34.989 1.00 0.00 WAT1 ATOM 2630 H2 TIP3 398 12.944 -26.735 -35.964 1.00 0.00 WAT1 ATOM 2631 OH2 TIP3 399 17.685 -18.537 -32.309 1.00 0.00 WAT1 ATOM 2632 H1 TIP3 399 18.017 -19.405 -31.985 1.00 0.00 WAT1 ATOM 2633 H2 TIP3 399 17.930 -18.526 -33.245 1.00 0.00 WAT1 ATOM 2634 OH2 TIP3 400 19.071 -24.214 -40.152 1.00 0.00 WAT1 ATOM 2635 H1 TIP3 400 18.864 -24.936 -39.526 1.00 0.00 WAT1 ATOM 2636 H2 TIP3 400 19.481 -23.524 -39.589 1.00 0.00 WAT1 ATOM 2637 OH2 TIP3 401 18.679 -22.387 -35.054 1.00 0.00 WAT1 ATOM 2638 H1 TIP3 401 18.572 -23.275 -35.476 1.00 0.00 WAT1 ATOM 2639 H2 TIP3 401 19.265 -21.899 -35.670 1.00 0.00 WAT1 ATOM 2640 OH2 TIP3 402 18.503 -28.028 -36.167 1.00 0.00 WAT1 ATOM 2641 H1 TIP3 402 17.560 -27.819 -35.972 1.00 0.00 WAT1 ATOM 2642 H2 TIP3 402 18.565 -29.004 -36.025 1.00 0.00 WAT1 ATOM 2643 OH2 TIP3 403 17.429 -27.256 -40.911 1.00 0.00 WAT1 ATOM 2644 H1 TIP3 403 17.726 -28.067 -41.339 1.00 0.00 WAT1 ATOM 2645 H2 TIP3 403 17.694 -26.541 -41.539 1.00 0.00 WAT1 ATOM 2646 OH2 TIP3 404 2.472 -25.790 -35.274 1.00 0.00 WAT1 ATOM 2647 H1 TIP3 404 2.289 -26.323 -36.080 1.00 0.00 WAT1 ATOM 2648 H2 TIP3 404 1.846 -26.144 -34.609 1.00 0.00 WAT1 ATOM 2649 OH2 TIP3 405 20.035 -31.333 -33.347 1.00 0.00 WAT1 ATOM 2650 H1 TIP3 405 20.817 -31.861 -33.154 1.00 0.00 WAT1 ATOM 2651 H2 TIP3 405 20.173 -30.499 -32.832 1.00 0.00 WAT1 ATOM 2652 OH2 TIP3 406 14.698 -31.900 -36.841 1.00 0.00 WAT1 ATOM 2653 H1 TIP3 406 13.926 -32.178 -37.342 1.00 0.00 WAT1 ATOM 2654 H2 TIP3 406 14.635 -30.921 -36.826 1.00 0.00 WAT1 ATOM 2655 OH2 TIP3 407 16.184 -16.096 -45.071 1.00 0.00 WAT1 ATOM 2656 H1 TIP3 407 15.758 -16.631 -44.366 1.00 0.00 WAT1 ATOM 2657 H2 TIP3 407 16.902 -16.682 -45.413 1.00 0.00 WAT1 ATOM 2658 OH2 TIP3 408 4.499 -29.770 -37.050 1.00 0.00 WAT1 ATOM 2659 H1 TIP3 408 5.059 -29.689 -37.837 1.00 0.00 WAT1 ATOM 2660 H2 TIP3 408 4.658 -30.694 -36.742 1.00 0.00 WAT1 ATOM 2661 OH2 TIP3 409 6.049 -17.241 -38.793 1.00 0.00 WAT1 ATOM 2662 H1 TIP3 409 5.346 -16.850 -39.346 1.00 0.00 WAT1 ATOM 2663 H2 TIP3 409 6.751 -16.552 -38.778 1.00 0.00 WAT1 ATOM 2664 OH2 TIP3 410 18.374 -24.916 -36.058 1.00 0.00 WAT1 ATOM 2665 H1 TIP3 410 18.278 -25.757 -35.596 1.00 0.00 WAT1 ATOM 2666 H2 TIP3 410 18.381 -25.162 -37.003 1.00 0.00 WAT1 ATOM 2667 OH2 TIP3 411 6.416 -14.670 -41.258 1.00 0.00 WAT1 ATOM 2668 H1 TIP3 411 6.507 -14.855 -42.198 1.00 0.00 WAT1 ATOM 2669 H2 TIP3 411 5.597 -15.143 -40.996 1.00 0.00 WAT1 ATOM 2670 OH2 TIP3 412 5.915 -12.524 -39.634 1.00 0.00 WAT1 ATOM 2671 H1 TIP3 412 6.217 -13.086 -40.376 1.00 0.00 WAT1 ATOM 2672 H2 TIP3 412 5.795 -13.158 -38.890 1.00 0.00 WAT1 ATOM 2673 OH2 TIP3 413 10.976 -12.140 -41.656 1.00 0.00 WAT1 ATOM 2674 H1 TIP3 413 10.578 -12.108 -40.757 1.00 0.00 WAT1 ATOM 2675 H2 TIP3 413 10.612 -11.351 -42.104 1.00 0.00 WAT1 ATOM 2676 OH2 TIP3 414 8.075 -15.410 -39.090 1.00 0.00 WAT1 ATOM 2677 H1 TIP3 414 8.230 -14.678 -38.455 1.00 0.00 WAT1 ATOM 2678 H2 TIP3 414 7.702 -14.967 -39.878 1.00 0.00 WAT1 ATOM 2679 OH2 TIP3 415 19.803 -15.843 -49.870 1.00 0.00 WAT1 ATOM 2680 H1 TIP3 415 20.445 -15.858 -50.582 1.00 0.00 WAT1 ATOM 2681 H2 TIP3 415 19.010 -15.420 -50.272 1.00 0.00 WAT1 ATOM 2682 OH2 TIP3 416 13.398 -16.850 -23.735 1.00 0.00 WAT1 ATOM 2683 H1 TIP3 416 12.923 -17.466 -23.166 1.00 0.00 WAT1 ATOM 2684 H2 TIP3 416 13.164 -17.141 -24.652 1.00 0.00 WAT1 ATOM 2685 OH2 TIP3 417 18.604 -22.874 -24.228 1.00 0.00 WAT1 ATOM 2686 H1 TIP3 417 19.389 -23.040 -23.697 1.00 0.00 WAT1 ATOM 2687 H2 TIP3 417 18.179 -23.760 -24.308 1.00 0.00 WAT1 ATOM 2688 OH2 TIP3 418 17.698 -32.111 -31.974 1.00 0.00 WAT1 ATOM 2689 H1 TIP3 418 18.457 -32.035 -32.584 1.00 0.00 WAT1 ATOM 2690 H2 TIP3 418 18.012 -31.683 -31.151 1.00 0.00 WAT1 ATOM 2691 OH2 TIP3 419 17.627 -17.875 -17.791 1.00 0.00 WAT1 ATOM 2692 H1 TIP3 419 17.727 -18.575 -18.473 1.00 0.00 WAT1 ATOM 2693 H2 TIP3 419 17.138 -18.309 -17.077 1.00 0.00 WAT1 ATOM 2694 OH2 TIP3 420 17.537 -11.949 -17.193 1.00 0.00 WAT1 ATOM 2695 H1 TIP3 420 17.583 -12.333 -18.091 1.00 0.00 WAT1 ATOM 2696 H2 TIP3 420 18.445 -12.070 -16.835 1.00 0.00 WAT1 ATOM 2697 OH2 TIP3 421 15.993 -19.327 -25.184 1.00 0.00 WAT1 ATOM 2698 H1 TIP3 421 16.528 -18.536 -24.931 1.00 0.00 WAT1 ATOM 2699 H2 TIP3 421 15.134 -18.962 -25.436 1.00 0.00 WAT1 ATOM 2700 OH2 TIP3 422 17.133 -26.815 -31.501 1.00 0.00 WAT1 ATOM 2701 H1 TIP3 422 16.799 -26.005 -31.938 1.00 0.00 WAT1 ATOM 2702 H2 TIP3 422 18.107 -26.694 -31.483 1.00 0.00 WAT1 ATOM 2703 OH2 TIP3 423 14.587 -16.084 -30.053 1.00 0.00 WAT1 ATOM 2704 H1 TIP3 423 14.093 -16.361 -30.840 1.00 0.00 WAT1 ATOM 2705 H2 TIP3 423 15.401 -16.644 -30.069 1.00 0.00 WAT1 ATOM 2706 OH2 TIP3 424 1.810 -15.990 -27.482 1.00 0.00 WAT1 ATOM 2707 H1 TIP3 424 2.328 -16.666 -26.967 1.00 0.00 WAT1 ATOM 2708 H2 TIP3 424 1.354 -15.475 -26.792 1.00 0.00 WAT1 ATOM 2709 OH2 TIP3 425 15.263 -15.662 -25.498 1.00 0.00 WAT1 ATOM 2710 H1 TIP3 425 14.654 -15.973 -24.797 1.00 0.00 WAT1 ATOM 2711 H2 TIP3 425 14.673 -15.430 -26.239 1.00 0.00 WAT1 ATOM 2712 OH2 TIP3 426 16.022 -22.263 -34.492 1.00 0.00 WAT1 ATOM 2713 H1 TIP3 426 16.996 -22.152 -34.517 1.00 0.00 WAT1 ATOM 2714 H2 TIP3 426 15.784 -22.075 -33.561 1.00 0.00 WAT1 ATOM 2715 OH2 TIP3 427 2.398 -13.768 -28.962 1.00 0.00 WAT1 ATOM 2716 H1 TIP3 427 2.271 -14.586 -28.436 1.00 0.00 WAT1 ATOM 2717 H2 TIP3 427 2.608 -14.098 -29.872 1.00 0.00 WAT1 ATOM 2718 OH2 TIP3 428 18.503 -16.038 -22.167 1.00 0.00 WAT1 ATOM 2719 H1 TIP3 428 17.957 -16.037 -21.349 1.00 0.00 WAT1 ATOM 2720 H2 TIP3 428 18.925 -15.157 -22.171 1.00 0.00 WAT1 ATOM 2721 OH2 TIP3 429 17.009 -15.845 -19.860 1.00 0.00 WAT1 ATOM 2722 H1 TIP3 429 16.955 -16.499 -19.138 1.00 0.00 WAT1 ATOM 2723 H2 TIP3 429 16.117 -15.876 -20.285 1.00 0.00 WAT1 ATOM 2724 OH2 TIP3 430 18.288 -21.073 -31.272 1.00 0.00 WAT1 ATOM 2725 H1 TIP3 430 17.920 -21.551 -30.503 1.00 0.00 WAT1 ATOM 2726 H2 TIP3 430 18.892 -21.720 -31.687 1.00 0.00 WAT1 ATOM 2727 OH2 TIP3 431 17.086 -22.605 -29.328 1.00 0.00 WAT1 ATOM 2728 H1 TIP3 431 16.870 -21.857 -28.723 1.00 0.00 WAT1 ATOM 2729 H2 TIP3 431 17.540 -23.248 -28.748 1.00 0.00 WAT1 ATOM 2730 OH2 TIP3 432 17.307 -17.086 -24.401 1.00 0.00 WAT1 ATOM 2731 H1 TIP3 432 16.701 -16.403 -24.752 1.00 0.00 WAT1 ATOM 2732 H2 TIP3 432 17.751 -16.649 -23.645 1.00 0.00 WAT1 ATOM 2733 OH2 TIP3 433 14.857 -15.682 -21.540 1.00 0.00 WAT1 ATOM 2734 H1 TIP3 433 14.655 -16.302 -22.259 1.00 0.00 WAT1 ATOM 2735 H2 TIP3 433 14.221 -14.952 -21.673 1.00 0.00 WAT1 ATOM 2736 OH2 TIP3 434 15.406 -22.597 -31.709 1.00 0.00 WAT1 ATOM 2737 H1 TIP3 434 14.650 -22.164 -31.261 1.00 0.00 WAT1 ATOM 2738 H2 TIP3 434 16.115 -22.586 -31.035 1.00 0.00 WAT1 ATOM 2739 OH2 TIP3 435 15.601 -25.205 -26.473 1.00 0.00 WAT1 ATOM 2740 H1 TIP3 435 15.921 -24.423 -26.953 1.00 0.00 WAT1 ATOM 2741 H2 TIP3 435 14.639 -25.223 -26.654 1.00 0.00 WAT1 ATOM 2742 OH2 TIP3 436 16.048 -31.306 -28.607 1.00 0.00 WAT1 ATOM 2743 H1 TIP3 436 16.115 -30.419 -29.024 1.00 0.00 WAT1 ATOM 2744 H2 TIP3 436 15.998 -31.118 -27.654 1.00 0.00 WAT1 ATOM 2745 OH2 TIP3 437 16.525 -30.123 -33.542 1.00 0.00 WAT1 ATOM 2746 H1 TIP3 437 17.105 -30.258 -34.315 1.00 0.00 WAT1 ATOM 2747 H2 TIP3 437 16.735 -30.878 -32.955 1.00 0.00 WAT1 ATOM 2748 OH2 TIP3 438 18.736 -13.389 -26.914 1.00 0.00 WAT1 ATOM 2749 H1 TIP3 438 18.488 -14.299 -27.192 1.00 0.00 WAT1 ATOM 2750 H2 TIP3 438 17.894 -12.991 -26.630 1.00 0.00 WAT1 ATOM 2751 OH2 TIP3 439 10.701 -16.273 -28.250 1.00 0.00 WAT1 ATOM 2752 H1 TIP3 439 11.626 -15.983 -28.258 1.00 0.00 WAT1 ATOM 2753 H2 TIP3 439 10.723 -17.128 -27.765 1.00 0.00 WAT1 ATOM 2754 OH2 TIP3 440 12.709 -12.063 -19.443 1.00 0.00 WAT1 ATOM 2755 H1 TIP3 440 13.640 -12.300 -19.605 1.00 0.00 WAT1 ATOM 2756 H2 TIP3 440 12.234 -12.919 -19.487 1.00 0.00 WAT1 ATOM 2757 OH2 TIP3 441 12.797 -13.987 -22.267 1.00 0.00 WAT1 ATOM 2758 H1 TIP3 441 12.413 -14.658 -22.855 1.00 0.00 WAT1 ATOM 2759 H2 TIP3 441 12.243 -14.027 -21.463 1.00 0.00 WAT1 ATOM 2760 OH2 TIP3 442 17.045 -29.328 -24.731 1.00 0.00 WAT1 ATOM 2761 H1 TIP3 442 16.553 -30.081 -25.133 1.00 0.00 WAT1 ATOM 2762 H2 TIP3 442 17.973 -29.584 -24.812 1.00 0.00 WAT1 ATOM 2763 OH2 TIP3 443 15.897 -31.526 -25.825 1.00 0.00 WAT1 ATOM 2764 H1 TIP3 443 16.559 -32.233 -26.017 1.00 0.00 WAT1 ATOM 2765 H2 TIP3 443 15.044 -32.002 -25.808 1.00 0.00 WAT1 ATOM 2766 OH2 TIP3 444 17.543 -15.810 -27.583 1.00 0.00 WAT1 ATOM 2767 H1 TIP3 444 16.764 -15.956 -27.023 1.00 0.00 WAT1 ATOM 2768 H2 TIP3 444 17.290 -16.183 -28.452 1.00 0.00 WAT1 ATOM 2769 OH2 TIP3 445 7.667 -21.782 -5.535 1.00 0.00 WAT1 ATOM 2770 H1 TIP3 445 7.074 -22.119 -4.853 1.00 0.00 WAT1 ATOM 2771 H2 TIP3 445 8.570 -21.971 -5.183 1.00 0.00 WAT1 ATOM 2772 OH2 TIP3 446 8.671 -19.261 -5.988 1.00 0.00 WAT1 ATOM 2773 H1 TIP3 446 8.158 -20.067 -5.778 1.00 0.00 WAT1 ATOM 2774 H2 TIP3 446 8.022 -18.673 -6.437 1.00 0.00 WAT1 ATOM 2775 OH2 TIP3 447 4.834 -32.019 -3.625 1.00 0.00 WAT1 ATOM 2776 H1 TIP3 447 4.718 -32.771 -4.245 1.00 0.00 WAT1 ATOM 2777 H2 TIP3 447 5.460 -31.418 -4.091 1.00 0.00 WAT1 ATOM 2778 OH2 TIP3 448 12.700 -19.001 -7.587 1.00 0.00 WAT1 ATOM 2779 H1 TIP3 448 12.022 -19.695 -7.449 1.00 0.00 WAT1 ATOM 2780 H2 TIP3 448 12.225 -18.166 -7.395 1.00 0.00 WAT1 ATOM 2781 OH2 TIP3 449 5.661 -30.231 -7.496 1.00 0.00 WAT1 ATOM 2782 H1 TIP3 449 5.973 -31.153 -7.392 1.00 0.00 WAT1 ATOM 2783 H2 TIP3 449 4.741 -30.322 -7.805 1.00 0.00 WAT1 ATOM 2784 OH2 TIP3 450 10.699 -20.760 -7.006 1.00 0.00 WAT1 ATOM 2785 H1 TIP3 450 10.021 -20.091 -6.774 1.00 0.00 WAT1 ATOM 2786 H2 TIP3 450 10.700 -21.367 -6.242 1.00 0.00 WAT1 ATOM 2787 OH2 TIP3 451 19.374 -22.750 0.142 1.00 0.00 WAT1 ATOM 2788 H1 TIP3 451 19.897 -22.380 -0.604 1.00 0.00 WAT1 ATOM 2789 H2 TIP3 451 19.323 -23.701 -0.054 1.00 0.00 WAT1 ATOM 2790 OH2 TIP3 452 14.418 -17.370 -4.908 1.00 0.00 WAT1 ATOM 2791 H1 TIP3 452 14.267 -17.685 -4.001 1.00 0.00 WAT1 ATOM 2792 H2 TIP3 452 15.326 -17.678 -5.117 1.00 0.00 WAT1 ATOM 2793 OH2 TIP3 453 8.847 -25.175 -4.789 1.00 0.00 WAT1 ATOM 2794 H1 TIP3 453 8.919 -24.425 -5.388 1.00 0.00 WAT1 ATOM 2795 H2 TIP3 453 9.520 -24.996 -4.100 1.00 0.00 WAT1 ATOM 2796 OH2 TIP3 454 13.369 -20.717 -3.417 1.00 0.00 WAT1 ATOM 2797 H1 TIP3 454 13.668 -20.723 -4.356 1.00 0.00 WAT1 ATOM 2798 H2 TIP3 454 12.465 -20.358 -3.458 1.00 0.00 WAT1 ATOM 2799 OH2 TIP3 455 20.239 -19.093 -11.884 1.00 0.00 WAT1 ATOM 2800 H1 TIP3 455 20.768 -18.487 -11.318 1.00 0.00 WAT1 ATOM 2801 H2 TIP3 455 20.789 -19.201 -12.691 1.00 0.00 WAT1 ATOM 2802 OH2 TIP3 456 7.012 -17.566 -7.334 1.00 0.00 WAT1 ATOM 2803 H1 TIP3 456 6.223 -17.083 -7.660 1.00 0.00 WAT1 ATOM 2804 H2 TIP3 456 7.630 -16.854 -7.064 1.00 0.00 WAT1 ATOM 2805 OH2 TIP3 457 18.660 -25.640 0.759 1.00 0.00 WAT1 ATOM 2806 H1 TIP3 457 19.141 -25.835 1.591 1.00 0.00 WAT1 ATOM 2807 H2 TIP3 457 17.820 -25.255 1.062 1.00 0.00 WAT1 ATOM 2808 OH2 TIP3 458 9.080 -19.036 -1.218 1.00 0.00 WAT1 ATOM 2809 H1 TIP3 458 8.317 -19.497 -0.800 1.00 0.00 WAT1 ATOM 2810 H2 TIP3 458 9.510 -19.724 -1.750 1.00 0.00 WAT1 ATOM 2811 OH2 TIP3 459 12.685 -28.579 -3.078 1.00 0.00 WAT1 ATOM 2812 H1 TIP3 459 12.710 -27.703 -3.478 1.00 0.00 WAT1 ATOM 2813 H2 TIP3 459 12.025 -29.065 -3.599 1.00 0.00 WAT1 ATOM 2814 OH2 TIP3 460 7.686 -27.666 -4.510 1.00 0.00 WAT1 ATOM 2815 H1 TIP3 460 7.002 -27.541 -3.834 1.00 0.00 WAT1 ATOM 2816 H2 TIP3 460 8.105 -26.778 -4.593 1.00 0.00 WAT1 ATOM 2817 OH2 TIP3 461 11.652 -23.835 -0.016 1.00 0.00 WAT1 ATOM 2818 H1 TIP3 461 12.516 -24.257 -0.218 1.00 0.00 WAT1 ATOM 2819 H2 TIP3 461 11.542 -23.973 0.941 1.00 0.00 WAT1 ATOM 2820 OH2 TIP3 462 10.149 -22.096 -4.505 1.00 0.00 WAT1 ATOM 2821 H1 TIP3 462 10.492 -21.281 -4.086 1.00 0.00 WAT1 ATOM 2822 H2 TIP3 462 10.488 -22.824 -3.933 1.00 0.00 WAT1 ATOM 2823 OH2 TIP3 463 10.912 -24.312 -3.034 1.00 0.00 WAT1 ATOM 2824 H1 TIP3 463 10.966 -24.385 -2.066 1.00 0.00 WAT1 ATOM 2825 H2 TIP3 463 11.718 -24.781 -3.356 1.00 0.00 WAT1 ATOM 2826 OH2 TIP3 464 7.202 -20.327 0.306 1.00 0.00 WAT1 ATOM 2827 H1 TIP3 464 6.267 -20.570 0.383 1.00 0.00 WAT1 ATOM 2828 H2 TIP3 464 7.366 -19.759 1.090 1.00 0.00 WAT1 ATOM 2829 OH2 TIP3 465 9.740 -28.567 -6.251 1.00 0.00 WAT1 ATOM 2830 H1 TIP3 465 8.976 -28.203 -5.765 1.00 0.00 WAT1 ATOM 2831 H2 TIP3 465 10.152 -29.187 -5.610 1.00 0.00 WAT1 ATOM 2832 OH2 TIP3 466 19.089 -22.483 -4.035 1.00 0.00 WAT1 ATOM 2833 H1 TIP3 466 19.577 -22.218 -3.229 1.00 0.00 WAT1 ATOM 2834 H2 TIP3 466 19.678 -23.150 -4.463 1.00 0.00 WAT1 ATOM 2835 OH2 TIP3 467 14.848 -18.542 -2.327 1.00 0.00 WAT1 ATOM 2836 H1 TIP3 467 15.767 -18.892 -2.390 1.00 0.00 WAT1 ATOM 2837 H2 TIP3 467 14.285 -19.328 -2.479 1.00 0.00 WAT1 ATOM 2838 OH2 TIP3 468 6.646 -21.566 -8.122 1.00 0.00 WAT1 ATOM 2839 H1 TIP3 468 5.893 -21.077 -7.771 1.00 0.00 WAT1 ATOM 2840 H2 TIP3 468 7.188 -21.769 -7.329 1.00 0.00 WAT1 ATOM 2841 OH2 TIP3 469 11.627 -21.190 -0.789 1.00 0.00 WAT1 ATOM 2842 H1 TIP3 469 12.597 -21.025 -0.793 1.00 0.00 WAT1 ATOM 2843 H2 TIP3 469 11.553 -22.167 -0.718 1.00 0.00 WAT1 ATOM 2844 OH2 TIP3 470 20.627 -21.473 -1.977 1.00 0.00 WAT1 ATOM 2845 H1 TIP3 470 21.334 -21.487 -2.660 1.00 0.00 WAT1 ATOM 2846 H2 TIP3 470 20.636 -20.550 -1.644 1.00 0.00 WAT1 ATOM 2847 OH2 TIP3 471 14.668 -18.559 -13.869 1.00 0.00 WAT1 ATOM 2848 H1 TIP3 471 15.397 -19.155 -14.146 1.00 0.00 WAT1 ATOM 2849 H2 TIP3 471 14.191 -18.382 -14.688 1.00 0.00 WAT1 ATOM 2850 OH2 TIP3 472 16.914 -18.332 -5.492 1.00 0.00 WAT1 ATOM 2851 H1 TIP3 472 17.676 -17.924 -5.062 1.00 0.00 WAT1 ATOM 2852 H2 TIP3 472 17.159 -19.284 -5.562 1.00 0.00 WAT1 ATOM 2853 OH2 TIP3 473 21.944 -17.255 -10.664 1.00 0.00 WAT1 ATOM 2854 H1 TIP3 473 22.786 -17.125 -10.222 1.00 0.00 WAT1 ATOM 2855 H2 TIP3 473 21.846 -16.461 -11.230 1.00 0.00 WAT1 ATOM 2856 OH2 TIP3 474 6.313 -15.429 1.409 1.00 0.00 WAT1 ATOM 2857 H1 TIP3 474 6.411 -15.758 2.322 1.00 0.00 WAT1 ATOM 2858 H2 TIP3 474 5.379 -15.541 1.218 1.00 0.00 WAT1 ATOM 2859 OH2 TIP3 475 13.246 -25.348 -4.011 1.00 0.00 WAT1 ATOM 2860 H1 TIP3 475 13.798 -24.670 -3.569 1.00 0.00 WAT1 ATOM 2861 H2 TIP3 475 13.783 -25.633 -4.775 1.00 0.00 WAT1 ATOM 2862 OH2 TIP3 476 6.357 -32.802 -6.558 1.00 0.00 WAT1 ATOM 2863 H1 TIP3 476 5.477 -33.181 -6.333 1.00 0.00 WAT1 ATOM 2864 H2 TIP3 476 6.886 -32.922 -5.739 1.00 0.00 WAT1 ATOM 2865 OH2 TIP3 477 4.188 -17.569 -12.674 1.00 0.00 WAT1 ATOM 2866 H1 TIP3 477 3.214 -17.669 -12.797 1.00 0.00 WAT1 ATOM 2867 H2 TIP3 477 4.318 -16.601 -12.568 1.00 0.00 WAT1 ATOM 2868 OH2 TIP3 478 6.724 -16.246 4.088 1.00 0.00 WAT1 ATOM 2869 H1 TIP3 478 7.319 -15.498 4.312 1.00 0.00 WAT1 ATOM 2870 H2 TIP3 478 7.325 -16.971 3.864 1.00 0.00 WAT1 ATOM 2871 OH2 TIP3 479 14.574 -23.190 -2.731 1.00 0.00 WAT1 ATOM 2872 H1 TIP3 479 14.059 -22.358 -2.833 1.00 0.00 WAT1 ATOM 2873 H2 TIP3 479 15.481 -22.932 -2.943 1.00 0.00 WAT1 ATOM 2874 OH2 TIP3 480 5.038 -31.108 -1.069 1.00 0.00 WAT1 ATOM 2875 H1 TIP3 480 4.935 -31.554 -1.938 1.00 0.00 WAT1 ATOM 2876 H2 TIP3 480 5.218 -31.825 -0.454 1.00 0.00 WAT1 ATOM 2877 OH2 TIP3 481 14.263 -20.646 -5.985 1.00 0.00 WAT1 ATOM 2878 H1 TIP3 481 15.184 -20.348 -5.987 1.00 0.00 WAT1 ATOM 2879 H2 TIP3 481 13.799 -20.006 -6.568 1.00 0.00 WAT1 ATOM 2880 OH2 TIP3 482 14.225 -24.690 -0.204 1.00 0.00 WAT1 ATOM 2881 H1 TIP3 482 14.569 -24.082 0.475 1.00 0.00 WAT1 ATOM 2882 H2 TIP3 482 14.528 -24.304 -1.047 1.00 0.00 WAT1 ATOM 2883 OH2 TIP3 483 14.322 -20.964 -0.301 1.00 0.00 WAT1 ATOM 2884 H1 TIP3 483 14.400 -21.531 0.499 1.00 0.00 WAT1 ATOM 2885 H2 TIP3 483 15.222 -20.920 -0.650 1.00 0.00 WAT1 ATOM 2886 OH2 TIP3 484 10.520 -30.187 -4.177 1.00 0.00 WAT1 ATOM 2887 H1 TIP3 484 10.081 -30.064 -3.326 1.00 0.00 WAT1 ATOM 2888 H2 TIP3 484 10.685 -31.155 -4.226 1.00 0.00 WAT1 ATOM 2889 OH2 TIP3 485 12.069 -27.507 3.713 1.00 0.00 WAT1 ATOM 2890 H1 TIP3 485 11.385 -27.435 4.386 1.00 0.00 WAT1 ATOM 2891 H2 TIP3 485 12.537 -28.339 3.939 1.00 0.00 WAT1 ATOM 2892 OH2 TIP3 486 13.614 -27.398 1.293 1.00 0.00 WAT1 ATOM 2893 H1 TIP3 486 13.012 -27.238 2.046 1.00 0.00 WAT1 ATOM 2894 H2 TIP3 486 13.682 -26.535 0.851 1.00 0.00 WAT1 ATOM 2895 OH2 TIP3 487 15.388 -29.380 1.924 1.00 0.00 WAT1 ATOM 2896 H1 TIP3 487 14.693 -28.763 1.601 1.00 0.00 WAT1 ATOM 2897 H2 TIP3 487 15.642 -29.010 2.789 1.00 0.00 WAT1 ATOM 2898 OH2 TIP3 488 14.074 -32.797 -0.725 1.00 0.00 WAT1 ATOM 2899 H1 TIP3 488 14.987 -33.055 -0.476 1.00 0.00 WAT1 ATOM 2900 H2 TIP3 488 13.542 -33.050 0.038 1.00 0.00 WAT1 ATOM 2901 OH2 TIP3 489 14.648 -32.145 4.170 1.00 0.00 WAT1 ATOM 2902 H1 TIP3 489 15.470 -31.930 3.684 1.00 0.00 WAT1 ATOM 2903 H2 TIP3 489 14.812 -33.038 4.522 1.00 0.00 WAT1 ATOM 2904 OH2 TIP3 490 3.638 -13.820 -9.837 1.00 0.00 WAT1 ATOM 2905 H1 TIP3 490 3.308 -13.563 -10.732 1.00 0.00 WAT1 ATOM 2906 H2 TIP3 490 2.835 -13.920 -9.311 1.00 0.00 WAT1 ATOM 2907 OH2 TIP3 491 4.846 -11.337 -9.400 1.00 0.00 WAT1 ATOM 2908 H1 TIP3 491 4.555 -12.264 -9.517 1.00 0.00 WAT1 ATOM 2909 H2 TIP3 491 5.810 -11.408 -9.211 1.00 0.00 WAT1 ATOM 2910 OH2 TIP3 492 17.946 -12.510 -5.862 1.00 0.00 WAT1 ATOM 2911 H1 TIP3 492 17.339 -11.757 -5.745 1.00 0.00 WAT1 ATOM 2912 H2 TIP3 492 18.806 -12.182 -5.513 1.00 0.00 WAT1 ATOM 2913 OH2 TIP3 493 17.460 -20.976 -5.594 1.00 0.00 WAT1 ATOM 2914 H1 TIP3 493 18.086 -21.518 -5.057 1.00 0.00 WAT1 ATOM 2915 H2 TIP3 493 17.377 -21.476 -6.436 1.00 0.00 WAT1 ATOM 2916 OH2 TIP3 494 6.298 -30.033 -4.867 1.00 0.00 WAT1 ATOM 2917 H1 TIP3 494 6.053 -30.037 -5.819 1.00 0.00 WAT1 ATOM 2918 H2 TIP3 494 6.999 -29.351 -4.807 1.00 0.00 WAT1 ATOM 2919 OH2 TIP3 495 18.067 -22.299 2.440 1.00 0.00 WAT1 ATOM 2920 H1 TIP3 495 17.686 -23.163 2.716 1.00 0.00 WAT1 ATOM 2921 H2 TIP3 495 18.515 -22.499 1.585 1.00 0.00 WAT1 ATOM 2922 OH2 TIP3 496 5.262 -28.812 -2.611 1.00 0.00 WAT1 ATOM 2923 H1 TIP3 496 5.373 -29.491 -1.911 1.00 0.00 WAT1 ATOM 2924 H2 TIP3 496 5.554 -29.261 -3.427 1.00 0.00 WAT1 ATOM 2925 OH2 TIP3 497 2.554 -28.896 -2.303 1.00 0.00 WAT1 ATOM 2926 H1 TIP3 497 2.459 -28.946 -1.343 1.00 0.00 WAT1 ATOM 2927 H2 TIP3 497 3.521 -28.749 -2.440 1.00 0.00 WAT1 ATOM 2928 OH2 TIP3 498 7.421 -19.286 5.288 1.00 0.00 WAT1 ATOM 2929 H1 TIP3 498 6.687 -19.838 4.919 1.00 0.00 WAT1 ATOM 2930 H2 TIP3 498 6.970 -18.652 5.876 1.00 0.00 WAT1 ATOM 2931 OH2 TIP3 499 10.733 -19.385 -4.054 1.00 0.00 WAT1 ATOM 2932 H1 TIP3 499 11.073 -18.477 -3.943 1.00 0.00 WAT1 ATOM 2933 H2 TIP3 499 9.989 -19.282 -4.684 1.00 0.00 WAT1 ATOM 2934 OH2 TIP3 500 12.057 -13.800 -4.300 1.00 0.00 WAT1 ATOM 2935 H1 TIP3 500 11.376 -13.099 -4.207 1.00 0.00 WAT1 ATOM 2936 H2 TIP3 500 12.159 -13.905 -5.267 1.00 0.00 WAT1 ATOM 2937 OH2 TIP3 501 11.248 -16.499 -4.031 1.00 0.00 WAT1 ATOM 2938 H1 TIP3 501 11.651 -15.609 -3.956 1.00 0.00 WAT1 ATOM 2939 H2 TIP3 501 10.463 -16.458 -3.431 1.00 0.00 WAT1 ATOM 2940 OH2 TIP3 502 9.172 -16.515 -2.350 1.00 0.00 WAT1 ATOM 2941 H1 TIP3 502 8.875 -15.903 -1.634 1.00 0.00 WAT1 ATOM 2942 H2 TIP3 502 8.942 -17.403 -2.012 1.00 0.00 WAT1 ATOM 2943 OH2 TIP3 503 8.848 -15.712 -6.433 1.00 0.00 WAT1 ATOM 2944 H1 TIP3 503 8.777 -15.855 -5.477 1.00 0.00 WAT1 ATOM 2945 H2 TIP3 503 9.718 -16.096 -6.668 1.00 0.00 WAT1 ATOM 2946 OH2 TIP3 504 11.447 -16.694 -6.739 1.00 0.00 WAT1 ATOM 2947 H1 TIP3 504 11.489 -16.760 -5.755 1.00 0.00 WAT1 ATOM 2948 H2 TIP3 504 11.765 -15.789 -6.931 1.00 0.00 WAT1 ATOM 2949 OH2 TIP3 505 5.287 -31.035 -10.592 1.00 0.00 WAT1 ATOM 2950 H1 TIP3 505 4.559 -31.579 -10.264 1.00 0.00 WAT1 ATOM 2951 H2 TIP3 505 5.976 -31.690 -10.840 1.00 0.00 WAT1 ATOM 2952 OH2 TIP3 506 14.612 -14.055 -10.954 1.00 0.00 WAT1 ATOM 2953 H1 TIP3 506 14.609 -14.954 -11.338 1.00 0.00 WAT1 ATOM 2954 H2 TIP3 506 15.509 -13.710 -11.157 1.00 0.00 WAT1 ATOM 2955 OH2 TIP3 507 16.924 -32.361 -2.509 1.00 0.00 WAT1 ATOM 2956 H1 TIP3 507 16.668 -32.872 -3.310 1.00 0.00 WAT1 ATOM 2957 H2 TIP3 507 17.486 -32.978 -2.005 1.00 0.00 WAT1 ATOM 2958 OH2 TIP3 508 10.595 -23.893 10.411 1.00 0.00 WAT1 ATOM 2959 H1 TIP3 508 11.136 -24.708 10.313 1.00 0.00 WAT1 ATOM 2960 H2 TIP3 508 10.514 -23.776 11.386 1.00 0.00 WAT1 ATOM 2961 OH2 TIP3 509 12.096 -26.173 10.193 1.00 0.00 WAT1 ATOM 2962 H1 TIP3 509 12.477 -26.568 10.986 1.00 0.00 WAT1 ATOM 2963 H2 TIP3 509 11.601 -26.914 9.768 1.00 0.00 WAT1 ATOM 2964 OH2 TIP3 510 8.161 -21.773 13.064 1.00 0.00 WAT1 ATOM 2965 H1 TIP3 510 7.641 -20.953 12.927 1.00 0.00 WAT1 ATOM 2966 H2 TIP3 510 7.524 -22.495 12.870 1.00 0.00 WAT1 ATOM 2967 OH2 TIP3 511 14.615 -19.232 8.901 1.00 0.00 WAT1 ATOM 2968 H1 TIP3 511 15.418 -19.525 8.410 1.00 0.00 WAT1 ATOM 2969 H2 TIP3 511 14.742 -19.593 9.801 1.00 0.00 WAT1 ATOM 2970 OH2 TIP3 512 5.115 -18.279 10.933 1.00 0.00 WAT1 ATOM 2971 H1 TIP3 512 5.806 -18.694 11.488 1.00 0.00 WAT1 ATOM 2972 H2 TIP3 512 4.461 -17.964 11.567 1.00 0.00 WAT1 ATOM 2973 OH2 TIP3 513 4.491 -25.117 13.657 1.00 0.00 WAT1 ATOM 2974 H1 TIP3 513 3.678 -25.611 13.524 1.00 0.00 WAT1 ATOM 2975 H2 TIP3 513 5.000 -25.660 14.290 1.00 0.00 WAT1 ATOM 2976 OH2 TIP3 514 12.486 -16.242 11.574 1.00 0.00 WAT1 ATOM 2977 H1 TIP3 514 12.983 -15.575 12.057 1.00 0.00 WAT1 ATOM 2978 H2 TIP3 514 12.273 -16.921 12.255 1.00 0.00 WAT1 ATOM 2979 OH2 TIP3 515 4.100 -27.804 10.985 1.00 0.00 WAT1 ATOM 2980 H1 TIP3 515 3.528 -27.252 10.441 1.00 0.00 WAT1 ATOM 2981 H2 TIP3 515 4.313 -28.573 10.407 1.00 0.00 WAT1 ATOM 2982 OH2 TIP3 516 4.079 -28.384 13.647 1.00 0.00 WAT1 ATOM 2983 H1 TIP3 516 3.585 -29.208 13.648 1.00 0.00 WAT1 ATOM 2984 H2 TIP3 516 4.131 -28.136 12.695 1.00 0.00 WAT1 ATOM 2985 OH2 TIP3 517 5.412 -21.397 20.470 1.00 0.00 WAT1 ATOM 2986 H1 TIP3 517 4.710 -21.429 19.812 1.00 0.00 WAT1 ATOM 2987 H2 TIP3 517 5.215 -22.128 21.064 1.00 0.00 WAT1 ATOM 2988 OH2 TIP3 518 5.301 -18.385 14.714 1.00 0.00 WAT1 ATOM 2989 H1 TIP3 518 4.492 -17.853 14.511 1.00 0.00 WAT1 ATOM 2990 H2 TIP3 518 5.040 -18.935 15.461 1.00 0.00 WAT1 ATOM 2991 OH2 TIP3 519 2.336 -19.392 6.358 1.00 0.00 WAT1 ATOM 2992 H1 TIP3 519 3.032 -19.110 6.996 1.00 0.00 WAT1 ATOM 2993 H2 TIP3 519 1.514 -19.125 6.776 1.00 0.00 WAT1 ATOM 2994 OH2 TIP3 520 15.000 -20.373 11.458 1.00 0.00 WAT1 ATOM 2995 H1 TIP3 520 15.275 -19.908 12.257 1.00 0.00 WAT1 ATOM 2996 H2 TIP3 520 14.154 -20.804 11.710 1.00 0.00 WAT1 ATOM 2997 OH2 TIP3 521 13.097 -13.704 9.836 1.00 0.00 WAT1 ATOM 2998 H1 TIP3 521 13.905 -13.217 9.595 1.00 0.00 WAT1 ATOM 2999 H2 TIP3 521 12.625 -13.106 10.447 1.00 0.00 WAT1 ATOM 3000 OH2 TIP3 522 16.832 -20.014 7.554 1.00 0.00 WAT1 ATOM 3001 H1 TIP3 522 17.393 -19.524 6.921 1.00 0.00 WAT1 ATOM 3002 H2 TIP3 522 17.393 -20.757 7.842 1.00 0.00 WAT1 ATOM 3003 OH2 TIP3 523 11.545 -24.049 6.518 1.00 0.00 WAT1 ATOM 3004 H1 TIP3 523 11.861 -23.240 6.101 1.00 0.00 WAT1 ATOM 3005 H2 TIP3 523 10.704 -23.787 6.943 1.00 0.00 WAT1 ATOM 3006 OH2 TIP3 524 12.100 -24.269 2.851 1.00 0.00 WAT1 ATOM 3007 H1 TIP3 524 11.732 -23.471 3.303 1.00 0.00 WAT1 ATOM 3008 H2 TIP3 524 11.598 -25.007 3.228 1.00 0.00 WAT1 ATOM 3009 OH2 TIP3 525 15.295 -22.613 4.492 1.00 0.00 WAT1 ATOM 3010 H1 TIP3 525 15.025 -21.776 4.901 1.00 0.00 WAT1 ATOM 3011 H2 TIP3 525 16.116 -22.863 4.974 1.00 0.00 WAT1 ATOM 3012 OH2 TIP3 526 10.373 -20.238 12.743 1.00 0.00 WAT1 ATOM 3013 H1 TIP3 526 9.678 -20.782 13.172 1.00 0.00 WAT1 ATOM 3014 H2 TIP3 526 10.052 -20.132 11.823 1.00 0.00 WAT1 ATOM 3015 OH2 TIP3 527 12.007 -18.152 13.543 1.00 0.00 WAT1 ATOM 3016 H1 TIP3 527 12.125 -18.244 14.512 1.00 0.00 WAT1 ATOM 3017 H2 TIP3 527 11.430 -18.904 13.300 1.00 0.00 WAT1 ATOM 3018 OH2 TIP3 528 11.754 -19.045 19.004 1.00 0.00 WAT1 ATOM 3019 H1 TIP3 528 12.279 -19.632 19.561 1.00 0.00 WAT1 ATOM 3020 H2 TIP3 528 11.773 -18.196 19.466 1.00 0.00 WAT1 ATOM 3021 OH2 TIP3 529 14.342 -22.654 1.875 1.00 0.00 WAT1 ATOM 3022 H1 TIP3 529 13.535 -23.111 2.177 1.00 0.00 WAT1 ATOM 3023 H2 TIP3 529 14.885 -22.570 2.690 1.00 0.00 WAT1 ATOM 3024 OH2 TIP3 530 17.123 -31.879 3.022 1.00 0.00 WAT1 ATOM 3025 H1 TIP3 530 17.275 -30.930 2.867 1.00 0.00 WAT1 ATOM 3026 H2 TIP3 530 17.935 -32.177 3.474 1.00 0.00 WAT1 ATOM 3027 OH2 TIP3 531 4.190 -20.944 1.571 1.00 0.00 WAT1 ATOM 3028 H1 TIP3 531 3.559 -21.158 0.881 1.00 0.00 WAT1 ATOM 3029 H2 TIP3 531 3.639 -20.840 2.376 1.00 0.00 WAT1 ATOM 3030 OH2 TIP3 532 18.128 -17.788 2.331 1.00 0.00 WAT1 ATOM 3031 H1 TIP3 532 18.399 -17.239 3.107 1.00 0.00 WAT1 ATOM 3032 H2 TIP3 532 17.723 -18.593 2.738 1.00 0.00 WAT1 ATOM 3033 OH2 TIP3 533 9.007 -19.175 18.262 1.00 0.00 WAT1 ATOM 3034 H1 TIP3 533 8.448 -19.327 19.057 1.00 0.00 WAT1 ATOM 3035 H2 TIP3 533 9.917 -19.280 18.587 1.00 0.00 WAT1 ATOM 3036 OH2 TIP3 534 6.058 -17.069 6.675 1.00 0.00 WAT1 ATOM 3037 H1 TIP3 534 5.895 -16.242 7.173 1.00 0.00 WAT1 ATOM 3038 H2 TIP3 534 6.072 -16.784 5.739 1.00 0.00 WAT1 ATOM 3039 OH2 TIP3 535 13.354 -29.770 4.756 1.00 0.00 WAT1 ATOM 3040 H1 TIP3 535 13.095 -30.100 5.624 1.00 0.00 WAT1 ATOM 3041 H2 TIP3 535 13.747 -30.558 4.311 1.00 0.00 WAT1 ATOM 3042 OH2 TIP3 536 8.043 -25.275 14.787 1.00 0.00 WAT1 ATOM 3043 H1 TIP3 536 7.363 -25.979 14.774 1.00 0.00 WAT1 ATOM 3044 H2 TIP3 536 8.222 -25.138 15.743 1.00 0.00 WAT1 ATOM 3045 OH2 TIP3 537 6.797 -27.088 9.859 1.00 0.00 WAT1 ATOM 3046 H1 TIP3 537 6.077 -27.103 10.508 1.00 0.00 WAT1 ATOM 3047 H2 TIP3 537 7.195 -26.193 9.962 1.00 0.00 WAT1 ATOM 3048 OH2 TIP3 538 8.322 -28.274 7.965 1.00 0.00 WAT1 ATOM 3049 H1 TIP3 538 7.920 -27.897 7.178 1.00 0.00 WAT1 ATOM 3050 H2 TIP3 538 7.799 -27.890 8.710 1.00 0.00 WAT1 ATOM 3051 OH2 TIP3 539 10.777 -28.336 9.184 1.00 0.00 WAT1 ATOM 3052 H1 TIP3 539 9.932 -28.243 8.688 1.00 0.00 WAT1 ATOM 3053 H2 TIP3 539 10.800 -29.263 9.435 1.00 0.00 WAT1 ATOM 3054 OH2 TIP3 540 10.081 -23.773 13.131 1.00 0.00 WAT1 ATOM 3055 H1 TIP3 540 9.485 -22.997 13.142 1.00 0.00 WAT1 ATOM 3056 H2 TIP3 540 9.649 -24.410 13.728 1.00 0.00 WAT1 ATOM 3057 OH2 TIP3 541 5.865 -26.993 15.155 1.00 0.00 WAT1 ATOM 3058 H1 TIP3 541 5.295 -27.599 14.623 1.00 0.00 WAT1 ATOM 3059 H2 TIP3 541 5.884 -27.395 16.030 1.00 0.00 WAT1 ATOM 3060 OH2 TIP3 542 4.820 -29.772 9.256 1.00 0.00 WAT1 ATOM 3061 H1 TIP3 542 5.766 -29.599 9.164 1.00 0.00 WAT1 ATOM 3062 H2 TIP3 542 4.660 -30.534 8.689 1.00 0.00 WAT1 ATOM 3063 OH2 TIP3 543 9.350 -23.049 7.933 1.00 0.00 WAT1 ATOM 3064 H1 TIP3 543 9.847 -23.039 8.775 1.00 0.00 WAT1 ATOM 3065 H2 TIP3 543 8.506 -23.468 8.165 1.00 0.00 WAT1 ATOM 3066 OH2 TIP3 544 5.564 -20.748 3.992 1.00 0.00 WAT1 ATOM 3067 H1 TIP3 544 4.644 -20.858 4.292 1.00 0.00 WAT1 ATOM 3068 H2 TIP3 544 5.510 -20.857 3.027 1.00 0.00 WAT1 ATOM 3069 OH2 TIP3 545 7.906 -24.570 10.169 1.00 0.00 WAT1 ATOM 3070 H1 TIP3 545 7.488 -24.315 11.021 1.00 0.00 WAT1 ATOM 3071 H2 TIP3 545 8.847 -24.339 10.287 1.00 0.00 WAT1 ATOM 3072 OH2 TIP3 546 15.357 -27.904 4.315 1.00 0.00 WAT1 ATOM 3073 H1 TIP3 546 14.625 -28.499 4.579 1.00 0.00 WAT1 ATOM 3074 H2 TIP3 546 14.929 -27.022 4.223 1.00 0.00 WAT1 ATOM 3075 OH2 TIP3 547 7.538 -19.630 20.507 1.00 0.00 WAT1 ATOM 3076 H1 TIP3 547 6.799 -20.275 20.457 1.00 0.00 WAT1 ATOM 3077 H2 TIP3 547 7.363 -19.133 21.310 1.00 0.00 WAT1 ATOM 3078 OH2 TIP3 548 14.531 -25.283 3.879 1.00 0.00 WAT1 ATOM 3079 H1 TIP3 548 13.638 -25.118 3.527 1.00 0.00 WAT1 ATOM 3080 H2 TIP3 548 14.750 -24.464 4.364 1.00 0.00 WAT1 ATOM 3081 OH2 TIP3 549 7.017 -19.234 12.799 1.00 0.00 WAT1 ATOM 3082 H1 TIP3 549 6.416 -19.019 13.549 1.00 0.00 WAT1 ATOM 3083 H2 TIP3 549 7.780 -18.656 12.934 1.00 0.00 WAT1 ATOM 3084 OH2 TIP3 550 17.495 -23.528 5.892 1.00 0.00 WAT1 ATOM 3085 H1 TIP3 550 16.999 -24.247 6.343 1.00 0.00 WAT1 ATOM 3086 H2 TIP3 550 18.392 -23.901 5.761 1.00 0.00 WAT1 ATOM 3087 OH2 TIP3 551 18.925 -15.922 4.018 1.00 0.00 WAT1 ATOM 3088 H1 TIP3 551 18.534 -15.683 4.878 1.00 0.00 WAT1 ATOM 3089 H2 TIP3 551 19.892 -15.932 4.194 1.00 0.00 WAT1 ATOM 3090 OH2 TIP3 552 13.121 -22.377 9.465 1.00 0.00 WAT1 ATOM 3091 H1 TIP3 552 12.434 -23.021 9.260 1.00 0.00 WAT1 ATOM 3092 H2 TIP3 552 12.936 -22.117 10.390 1.00 0.00 WAT1 ATOM 3093 OH2 TIP3 553 9.176 -17.992 15.842 1.00 0.00 WAT1 ATOM 3094 H1 TIP3 553 10.059 -18.347 15.635 1.00 0.00 WAT1 ATOM 3095 H2 TIP3 553 8.930 -18.443 16.686 1.00 0.00 WAT1 ATOM 3096 OH2 TIP3 554 12.641 -21.645 12.106 1.00 0.00 WAT1 ATOM 3097 H1 TIP3 554 11.874 -21.078 12.341 1.00 0.00 WAT1 ATOM 3098 H2 TIP3 554 12.565 -22.402 12.703 1.00 0.00 WAT1 ATOM 3099 OH2 TIP3 555 2.759 -20.831 4.036 1.00 0.00 WAT1 ATOM 3100 H1 TIP3 555 2.669 -20.202 4.792 1.00 0.00 WAT1 ATOM 3101 H2 TIP3 555 2.042 -21.459 4.169 1.00 0.00 WAT1 ATOM 3102 OH2 TIP3 556 13.532 -25.432 7.858 1.00 0.00 WAT1 ATOM 3103 H1 TIP3 556 12.837 -25.001 7.317 1.00 0.00 WAT1 ATOM 3104 H2 TIP3 556 13.081 -25.652 8.695 1.00 0.00 WAT1 ATOM 3105 OH2 TIP3 557 15.922 -22.355 9.716 1.00 0.00 WAT1 ATOM 3106 H1 TIP3 557 15.018 -22.513 9.373 1.00 0.00 WAT1 ATOM 3107 H2 TIP3 557 15.802 -21.643 10.375 1.00 0.00 WAT1 ATOM 3108 OH2 TIP3 558 8.146 -19.098 2.574 1.00 0.00 WAT1 ATOM 3109 H1 TIP3 558 7.876 -19.272 3.498 1.00 0.00 WAT1 ATOM 3110 H2 TIP3 558 8.934 -19.650 2.447 1.00 0.00 WAT1 ATOM 3111 OH2 TIP3 559 4.103 -18.395 8.248 1.00 0.00 WAT1 ATOM 3112 H1 TIP3 559 4.818 -17.969 7.737 1.00 0.00 WAT1 ATOM 3113 H2 TIP3 559 4.463 -18.458 9.157 1.00 0.00 WAT1 ATOM 3114 OH2 TIP3 560 11.129 -21.891 3.758 1.00 0.00 WAT1 ATOM 3115 H1 TIP3 560 10.540 -21.624 4.503 1.00 0.00 WAT1 ATOM 3116 H2 TIP3 560 10.706 -21.498 2.966 1.00 0.00 WAT1 ATOM 3117 OH2 TIP3 561 9.517 -21.125 5.795 1.00 0.00 WAT1 ATOM 3118 H1 TIP3 561 9.327 -21.703 6.561 1.00 0.00 WAT1 ATOM 3119 H2 TIP3 561 8.731 -20.542 5.733 1.00 0.00 WAT1 ATOM 3120 OH2 TIP3 562 10.067 -20.842 1.429 1.00 0.00 WAT1 ATOM 3121 H1 TIP3 562 10.678 -20.950 0.664 1.00 0.00 WAT1 ATOM 3122 H2 TIP3 562 9.200 -21.103 1.075 1.00 0.00 WAT1 ATOM 3123 OH2 TIP3 563 17.330 -19.992 3.599 1.00 0.00 WAT1 ATOM 3124 H1 TIP3 563 17.517 -20.896 3.242 1.00 0.00 WAT1 ATOM 3125 H2 TIP3 563 16.439 -20.074 3.998 1.00 0.00 WAT1 ATOM 3126 OH2 TIP3 564 8.283 -25.259 17.526 1.00 0.00 WAT1 ATOM 3127 H1 TIP3 564 8.230 -24.420 17.997 1.00 0.00 WAT1 ATOM 3128 H2 TIP3 564 8.644 -25.874 18.171 1.00 0.00 WAT1 ATOM 3129 OH2 TIP3 565 18.501 -18.795 5.769 1.00 0.00 WAT1 ATOM 3130 H1 TIP3 565 19.482 -18.786 5.812 1.00 0.00 WAT1 ATOM 3131 H2 TIP3 565 18.297 -19.313 4.963 1.00 0.00 WAT1 ATOM 3132 OH2 TIP3 566 16.225 -25.516 7.259 1.00 0.00 WAT1 ATOM 3133 H1 TIP3 566 16.488 -25.473 8.184 1.00 0.00 WAT1 ATOM 3134 H2 TIP3 566 15.237 -25.537 7.294 1.00 0.00 WAT1 ATOM 3135 OH2 TIP3 567 17.051 -24.856 2.878 1.00 0.00 WAT1 ATOM 3136 H1 TIP3 567 17.512 -25.412 3.536 1.00 0.00 WAT1 ATOM 3137 H2 TIP3 567 16.102 -25.036 3.041 1.00 0.00 WAT1 ATOM 3138 OH2 TIP3 568 6.794 -24.073 12.654 1.00 0.00 WAT1 ATOM 3139 H1 TIP3 568 7.305 -24.517 13.365 1.00 0.00 WAT1 ATOM 3140 H2 TIP3 568 5.857 -24.306 12.855 1.00 0.00 WAT1 ATOM 3141 OH2 TIP3 569 19.164 -28.807 0.576 1.00 0.00 WAT1 ATOM 3142 H1 TIP3 569 18.984 -29.093 1.502 1.00 0.00 WAT1 ATOM 3143 H2 TIP3 569 18.849 -27.889 0.544 1.00 0.00 WAT1 ATOM 3144 OH2 TIP3 570 19.767 -26.358 3.173 1.00 0.00 WAT1 ATOM 3145 H1 TIP3 570 20.405 -27.099 3.221 1.00 0.00 WAT1 ATOM 3146 H2 TIP3 570 19.127 -26.545 3.894 1.00 0.00 WAT1 ATOM 3147 OH2 TIP3 571 18.382 -16.317 6.811 1.00 0.00 WAT1 ATOM 3148 H1 TIP3 571 19.090 -16.389 7.488 1.00 0.00 WAT1 ATOM 3149 H2 TIP3 571 18.304 -17.233 6.454 1.00 0.00 WAT1 ATOM 3150 OH2 TIP3 572 3.128 -16.896 14.165 1.00 0.00 WAT1 ATOM 3151 H1 TIP3 572 2.689 -16.198 14.658 1.00 0.00 WAT1 ATOM 3152 H2 TIP3 572 2.685 -16.884 13.286 1.00 0.00 WAT1 ATOM 3153 OH2 TIP3 573 1.962 -16.722 11.718 1.00 0.00 WAT1 ATOM 3154 H1 TIP3 573 1.283 -17.291 11.338 1.00 0.00 WAT1 ATOM 3155 H2 TIP3 573 2.096 -16.035 11.054 1.00 0.00 WAT1 ATOM 3156 OH2 TIP3 574 10.810 -15.876 16.728 1.00 0.00 WAT1 ATOM 3157 H1 TIP3 574 10.586 -15.028 16.328 1.00 0.00 WAT1 ATOM 3158 H2 TIP3 574 10.069 -16.460 16.481 1.00 0.00 WAT1 ATOM 3159 OH2 TIP3 575 11.941 -18.365 16.300 1.00 0.00 WAT1 ATOM 3160 H1 TIP3 575 11.842 -17.407 16.482 1.00 0.00 WAT1 ATOM 3161 H2 TIP3 575 11.935 -18.778 17.186 1.00 0.00 WAT1 ATOM 3162 OH2 TIP3 576 5.287 -14.599 7.780 1.00 0.00 WAT1 ATOM 3163 H1 TIP3 576 5.014 -14.237 8.657 1.00 0.00 WAT1 ATOM 3164 H2 TIP3 576 4.552 -14.379 7.197 1.00 0.00 WAT1 ATOM 3165 OH2 TIP3 577 7.271 -16.367 14.814 1.00 0.00 WAT1 ATOM 3166 H1 TIP3 577 6.506 -16.965 14.748 1.00 0.00 WAT1 ATOM 3167 H2 TIP3 577 7.990 -16.938 15.169 1.00 0.00 WAT1 ATOM 3168 OH2 TIP3 578 20.612 -16.725 8.350 1.00 0.00 WAT1 ATOM 3169 H1 TIP3 578 20.728 -17.247 9.152 1.00 0.00 WAT1 ATOM 3170 H2 TIP3 578 20.874 -17.336 7.624 1.00 0.00 WAT1 ATOM 3171 OH2 TIP3 579 8.202 -14.020 4.876 1.00 0.00 WAT1 ATOM 3172 H1 TIP3 579 8.435 -13.490 4.078 1.00 0.00 WAT1 ATOM 3173 H2 TIP3 579 7.528 -13.490 5.318 1.00 0.00 WAT1 ATOM 3174 OH2 TIP3 580 13.880 -9.553 -40.477 1.00 0.00 WAT1 ATOM 3175 H1 TIP3 580 13.673 -10.020 -41.314 1.00 0.00 WAT1 ATOM 3176 H2 TIP3 580 13.053 -9.070 -40.265 1.00 0.00 WAT1 ATOM 3177 OH2 TIP3 581 17.321 -9.788 -43.487 1.00 0.00 WAT1 ATOM 3178 H1 TIP3 581 18.176 -10.234 -43.306 1.00 0.00 WAT1 ATOM 3179 H2 TIP3 581 17.070 -9.403 -42.624 1.00 0.00 WAT1 ATOM 3180 OH2 TIP3 582 18.838 -11.209 -39.923 1.00 0.00 WAT1 ATOM 3181 H1 TIP3 582 18.945 -10.465 -39.294 1.00 0.00 WAT1 ATOM 3182 H2 TIP3 582 19.400 -11.915 -39.548 1.00 0.00 WAT1 ATOM 3183 OH2 TIP3 583 15.275 -11.430 -44.248 1.00 0.00 WAT1 ATOM 3184 H1 TIP3 583 14.431 -11.129 -43.845 1.00 0.00 WAT1 ATOM 3185 H2 TIP3 583 15.951 -10.825 -43.868 1.00 0.00 WAT1 ATOM 3186 OH2 TIP3 584 6.612 -9.928 -39.123 1.00 0.00 WAT1 ATOM 3187 H1 TIP3 584 6.459 -10.870 -39.352 1.00 0.00 WAT1 ATOM 3188 H2 TIP3 584 5.919 -9.726 -38.468 1.00 0.00 WAT1 ATOM 3189 OH2 TIP3 585 17.757 -7.492 -39.317 1.00 0.00 WAT1 ATOM 3190 H1 TIP3 585 17.268 -6.675 -39.441 1.00 0.00 WAT1 ATOM 3191 H2 TIP3 585 17.381 -8.103 -39.988 1.00 0.00 WAT1 ATOM 3192 OH2 TIP3 586 12.992 -11.038 -33.962 1.00 0.00 WAT1 ATOM 3193 H1 TIP3 586 13.305 -10.115 -34.024 1.00 0.00 WAT1 ATOM 3194 H2 TIP3 586 12.018 -10.965 -34.016 1.00 0.00 WAT1 ATOM 3195 OH2 TIP3 587 16.043 -10.264 -36.399 1.00 0.00 WAT1 ATOM 3196 H1 TIP3 587 15.817 -10.708 -35.554 1.00 0.00 WAT1 ATOM 3197 H2 TIP3 587 16.785 -10.792 -36.750 1.00 0.00 WAT1 ATOM 3198 OH2 TIP3 588 11.505 -8.579 -37.123 1.00 0.00 WAT1 ATOM 3199 H1 TIP3 588 12.467 -8.711 -37.309 1.00 0.00 WAT1 ATOM 3200 H2 TIP3 588 11.490 -8.196 -36.214 1.00 0.00 WAT1 ATOM 3201 OH2 TIP3 589 14.086 -8.930 -37.767 1.00 0.00 WAT1 ATOM 3202 H1 TIP3 589 14.219 -9.213 -38.691 1.00 0.00 WAT1 ATOM 3203 H2 TIP3 589 14.817 -9.363 -37.275 1.00 0.00 WAT1 ATOM 3204 OH2 TIP3 590 13.006 -10.712 -42.816 1.00 0.00 WAT1 ATOM 3205 H1 TIP3 590 12.558 -11.510 -42.461 1.00 0.00 WAT1 ATOM 3206 H2 TIP3 590 12.272 -10.106 -43.020 1.00 0.00 WAT1 ATOM 3207 OH2 TIP3 591 11.033 -6.986 -42.196 1.00 0.00 WAT1 ATOM 3208 H1 TIP3 591 11.402 -6.102 -42.175 1.00 0.00 WAT1 ATOM 3209 H2 TIP3 591 11.224 -7.349 -41.302 1.00 0.00 WAT1 ATOM 3210 OH2 TIP3 592 4.405 -7.589 -33.832 1.00 0.00 WAT1 ATOM 3211 H1 TIP3 592 4.543 -8.539 -33.633 1.00 0.00 WAT1 ATOM 3212 H2 TIP3 592 5.249 -7.175 -33.587 1.00 0.00 WAT1 ATOM 3213 OH2 TIP3 593 11.375 -8.325 -39.843 1.00 0.00 WAT1 ATOM 3214 H1 TIP3 593 10.467 -8.665 -39.999 1.00 0.00 WAT1 ATOM 3215 H2 TIP3 593 11.446 -8.276 -38.864 1.00 0.00 WAT1 ATOM 3216 OH2 TIP3 594 22.164 -12.717 -45.619 1.00 0.00 WAT1 ATOM 3217 H1 TIP3 594 21.806 -13.577 -45.327 1.00 0.00 WAT1 ATOM 3218 H2 TIP3 594 21.362 -12.152 -45.728 1.00 0.00 WAT1 ATOM 3219 OH2 TIP3 595 7.023 -8.848 -35.793 1.00 0.00 WAT1 ATOM 3220 H1 TIP3 595 6.263 -9.011 -36.378 1.00 0.00 WAT1 ATOM 3221 H2 TIP3 595 7.753 -9.345 -36.205 1.00 0.00 WAT1 ATOM 3222 OH2 TIP3 596 8.698 -8.798 -40.392 1.00 0.00 WAT1 ATOM 3223 H1 TIP3 596 8.257 -7.978 -40.635 1.00 0.00 WAT1 ATOM 3224 H2 TIP3 596 8.009 -9.301 -39.889 1.00 0.00 WAT1 ATOM 3225 OH2 TIP3 597 9.390 -10.282 -36.681 1.00 0.00 WAT1 ATOM 3226 H1 TIP3 597 10.030 -9.598 -36.979 1.00 0.00 WAT1 ATOM 3227 H2 TIP3 597 9.674 -10.486 -35.768 1.00 0.00 WAT1 ATOM 3228 OH2 TIP3 598 11.933 -7.772 -34.557 1.00 0.00 WAT1 ATOM 3229 H1 TIP3 598 11.600 -7.789 -33.635 1.00 0.00 WAT1 ATOM 3230 H2 TIP3 598 12.893 -7.941 -34.465 1.00 0.00 WAT1 ATOM 3231 OH2 TIP3 599 7.613 -11.550 -33.749 1.00 0.00 WAT1 ATOM 3232 H1 TIP3 599 7.793 -11.733 -32.808 1.00 0.00 WAT1 ATOM 3233 H2 TIP3 599 7.172 -12.370 -34.069 1.00 0.00 WAT1 ATOM 3234 OH2 TIP3 600 9.892 -11.761 -39.188 1.00 0.00 WAT1 ATOM 3235 H1 TIP3 600 9.771 -10.982 -38.623 1.00 0.00 WAT1 ATOM 3236 H2 TIP3 600 9.457 -12.481 -38.693 1.00 0.00 WAT1 ATOM 3237 OH2 TIP3 601 10.184 -10.763 -33.977 1.00 0.00 WAT1 ATOM 3238 H1 TIP3 601 10.182 -10.270 -33.138 1.00 0.00 WAT1 ATOM 3239 H2 TIP3 601 9.277 -11.138 -34.033 1.00 0.00 WAT1 ATOM 3240 OH2 TIP3 602 5.288 -12.097 -36.098 1.00 0.00 WAT1 ATOM 3241 H1 TIP3 602 5.509 -12.612 -35.289 1.00 0.00 WAT1 ATOM 3242 H2 TIP3 602 5.297 -12.764 -36.810 1.00 0.00 WAT1 ATOM 3243 OH2 TIP3 603 15.687 -11.667 -34.101 1.00 0.00 WAT1 ATOM 3244 H1 TIP3 603 15.824 -12.627 -34.279 1.00 0.00 WAT1 ATOM 3245 H2 TIP3 603 14.742 -11.603 -33.843 1.00 0.00 WAT1 ATOM 3246 OH2 TIP3 604 19.820 -11.404 -45.425 1.00 0.00 WAT1 ATOM 3247 H1 TIP3 604 19.641 -11.371 -44.466 1.00 0.00 WAT1 ATOM 3248 H2 TIP3 604 18.935 -11.446 -45.832 1.00 0.00 WAT1 ATOM 3249 OH2 TIP3 605 16.644 -9.477 -40.838 1.00 0.00 WAT1 ATOM 3250 H1 TIP3 605 17.067 -10.296 -40.511 1.00 0.00 WAT1 ATOM 3251 H2 TIP3 605 15.692 -9.592 -40.626 1.00 0.00 WAT1 ATOM 3252 OH2 TIP3 606 18.984 -9.398 -37.862 1.00 0.00 WAT1 ATOM 3253 H1 TIP3 606 18.850 -9.158 -36.940 1.00 0.00 WAT1 ATOM 3254 H2 TIP3 606 18.594 -8.645 -38.366 1.00 0.00 WAT1 ATOM 3255 OH2 TIP3 607 4.801 -10.295 -33.629 1.00 0.00 WAT1 ATOM 3256 H1 TIP3 607 5.652 -10.401 -34.097 1.00 0.00 WAT1 ATOM 3257 H2 TIP3 607 4.767 -11.063 -33.023 1.00 0.00 WAT1 ATOM 3258 OH2 TIP3 608 17.175 -10.930 -46.202 1.00 0.00 WAT1 ATOM 3259 H1 TIP3 608 16.425 -11.270 -45.672 1.00 0.00 WAT1 ATOM 3260 H2 TIP3 608 17.397 -10.086 -45.779 1.00 0.00 WAT1 ATOM 3261 OH2 TIP3 609 2.662 -8.385 -35.721 1.00 0.00 WAT1 ATOM 3262 H1 TIP3 609 2.222 -7.625 -36.113 1.00 0.00 WAT1 ATOM 3263 H2 TIP3 609 3.243 -7.994 -35.022 1.00 0.00 WAT1 ATOM 3264 OH2 TIP3 610 10.308 -9.597 -42.514 1.00 0.00 WAT1 ATOM 3265 H1 TIP3 610 10.542 -8.663 -42.694 1.00 0.00 WAT1 ATOM 3266 H2 TIP3 610 9.624 -9.538 -41.817 1.00 0.00 WAT1 ATOM 3267 OH2 TIP3 611 14.130 -15.370 -41.360 1.00 0.00 WAT1 ATOM 3268 H1 TIP3 611 14.468 -14.809 -42.105 1.00 0.00 WAT1 ATOM 3269 H2 TIP3 611 13.175 -15.241 -41.385 1.00 0.00 WAT1 ATOM 3270 OH2 TIP3 612 17.790 -14.623 -51.271 1.00 0.00 WAT1 ATOM 3271 H1 TIP3 612 17.626 -14.016 -51.995 1.00 0.00 WAT1 ATOM 3272 H2 TIP3 612 17.062 -14.445 -50.640 1.00 0.00 WAT1 ATOM 3273 OH2 TIP3 613 4.597 -12.541 -32.114 1.00 0.00 WAT1 ATOM 3274 H1 TIP3 613 5.094 -12.793 -31.307 1.00 0.00 WAT1 ATOM 3275 H2 TIP3 613 5.088 -12.995 -32.850 1.00 0.00 WAT1 ATOM 3276 OH2 TIP3 614 6.921 -5.819 -23.078 1.00 0.00 WAT1 ATOM 3277 H1 TIP3 614 7.041 -5.677 -24.027 1.00 0.00 WAT1 ATOM 3278 H2 TIP3 614 7.047 -4.925 -22.685 1.00 0.00 WAT1 ATOM 3279 OH2 TIP3 615 20.001 -9.915 -23.303 1.00 0.00 WAT1 ATOM 3280 H1 TIP3 615 19.279 -9.252 -23.265 1.00 0.00 WAT1 ATOM 3281 H2 TIP3 615 19.570 -10.722 -23.660 1.00 0.00 WAT1 ATOM 3282 OH2 TIP3 616 7.560 -11.269 -25.820 1.00 0.00 WAT1 ATOM 3283 H1 TIP3 616 7.622 -11.246 -26.800 1.00 0.00 WAT1 ATOM 3284 H2 TIP3 616 8.047 -12.088 -25.573 1.00 0.00 WAT1 ATOM 3285 OH2 TIP3 617 13.537 -7.718 -30.126 1.00 0.00 WAT1 ATOM 3286 H1 TIP3 617 13.742 -6.924 -30.630 1.00 0.00 WAT1 ATOM 3287 H2 TIP3 617 14.085 -8.417 -30.548 1.00 0.00 WAT1 ATOM 3288 OH2 TIP3 618 0.166 -8.440 -27.732 1.00 0.00 WAT1 ATOM 3289 H1 TIP3 618 -0.406 -7.770 -27.342 1.00 0.00 WAT1 ATOM 3290 H2 TIP3 618 -0.395 -9.240 -27.776 1.00 0.00 WAT1 ATOM 3291 OH2 TIP3 619 18.951 -6.218 -25.086 1.00 0.00 WAT1 ATOM 3292 H1 TIP3 619 19.755 -6.156 -25.649 1.00 0.00 WAT1 ATOM 3293 H2 TIP3 619 18.829 -5.322 -24.757 1.00 0.00 WAT1 ATOM 3294 OH2 TIP3 620 4.534 -11.298 -18.337 1.00 0.00 WAT1 ATOM 3295 H1 TIP3 620 4.838 -11.914 -19.022 1.00 0.00 WAT1 ATOM 3296 H2 TIP3 620 5.302 -10.696 -18.201 1.00 0.00 WAT1 ATOM 3297 OH2 TIP3 621 7.915 -8.317 -22.204 1.00 0.00 WAT1 ATOM 3298 H1 TIP3 621 7.579 -7.481 -22.585 1.00 0.00 WAT1 ATOM 3299 H2 TIP3 621 8.427 -8.726 -22.944 1.00 0.00 WAT1 ATOM 3300 OH2 TIP3 622 15.347 -12.130 -20.916 1.00 0.00 WAT1 ATOM 3301 H1 TIP3 622 15.361 -12.565 -21.786 1.00 0.00 WAT1 ATOM 3302 H2 TIP3 622 14.841 -11.307 -21.075 1.00 0.00 WAT1 ATOM 3303 OH2 TIP3 623 8.308 -18.551 -27.596 1.00 0.00 WAT1 ATOM 3304 H1 TIP3 623 8.322 -18.894 -28.512 1.00 0.00 WAT1 ATOM 3305 H2 TIP3 623 9.236 -18.669 -27.281 1.00 0.00 WAT1 ATOM 3306 OH2 TIP3 624 11.294 -8.066 -31.912 1.00 0.00 WAT1 ATOM 3307 H1 TIP3 624 10.613 -8.695 -31.610 1.00 0.00 WAT1 ATOM 3308 H2 TIP3 624 11.897 -7.982 -31.151 1.00 0.00 WAT1 ATOM 3309 OH2 TIP3 625 18.155 -7.873 -23.103 1.00 0.00 WAT1 ATOM 3310 H1 TIP3 625 18.514 -7.323 -23.843 1.00 0.00 WAT1 ATOM 3311 H2 TIP3 625 17.198 -7.846 -23.234 1.00 0.00 WAT1 ATOM 3312 OH2 TIP3 626 2.360 -4.105 -20.178 1.00 0.00 WAT1 ATOM 3313 H1 TIP3 626 3.093 -3.481 -20.384 1.00 0.00 WAT1 ATOM 3314 H2 TIP3 626 2.768 -4.992 -20.287 1.00 0.00 WAT1 ATOM 3315 OH2 TIP3 627 15.720 -13.593 -29.929 1.00 0.00 WAT1 ATOM 3316 H1 TIP3 627 15.232 -14.440 -29.965 1.00 0.00 WAT1 ATOM 3317 H2 TIP3 627 16.480 -13.734 -30.503 1.00 0.00 WAT1 ATOM 3318 OH2 TIP3 628 9.647 -11.663 -18.984 1.00 0.00 WAT1 ATOM 3319 H1 TIP3 628 9.067 -11.395 -19.725 1.00 0.00 WAT1 ATOM 3320 H2 TIP3 628 10.498 -11.249 -19.185 1.00 0.00 WAT1 ATOM 3321 OH2 TIP3 629 7.330 -3.292 -21.984 1.00 0.00 WAT1 ATOM 3322 H1 TIP3 629 8.000 -2.608 -22.091 1.00 0.00 WAT1 ATOM 3323 H2 TIP3 629 7.195 -3.349 -21.014 1.00 0.00 WAT1 ATOM 3324 OH2 TIP3 630 11.523 -9.262 -26.266 1.00 0.00 WAT1 ATOM 3325 H1 TIP3 630 12.136 -8.627 -26.697 1.00 0.00 WAT1 ATOM 3326 H2 TIP3 630 12.108 -9.839 -25.755 1.00 0.00 WAT1 ATOM 3327 OH2 TIP3 631 4.512 -7.284 -22.930 1.00 0.00 WAT1 ATOM 3328 H1 TIP3 631 4.052 -6.978 -22.125 1.00 0.00 WAT1 ATOM 3329 H2 TIP3 631 5.304 -6.718 -22.982 1.00 0.00 WAT1 ATOM 3330 OH2 TIP3 632 9.502 -10.065 -31.189 1.00 0.00 WAT1 ATOM 3331 H1 TIP3 632 9.193 -10.994 -31.166 1.00 0.00 WAT1 ATOM 3332 H2 TIP3 632 9.778 -9.881 -30.257 1.00 0.00 WAT1 ATOM 3333 OH2 TIP3 633 -1.749 -13.737 -31.131 1.00 0.00 WAT1 ATOM 3334 H1 TIP3 633 -2.227 -13.071 -31.636 1.00 0.00 WAT1 ATOM 3335 H2 TIP3 633 -1.173 -13.218 -30.536 1.00 0.00 WAT1 ATOM 3336 OH2 TIP3 634 1.519 -9.292 -30.011 1.00 0.00 WAT1 ATOM 3337 H1 TIP3 634 2.484 -9.291 -29.889 1.00 0.00 WAT1 ATOM 3338 H2 TIP3 634 1.172 -8.864 -29.200 1.00 0.00 WAT1 ATOM 3339 OH2 TIP3 635 9.094 -13.555 -25.914 1.00 0.00 WAT1 ATOM 3340 H1 TIP3 635 9.957 -13.913 -25.639 1.00 0.00 WAT1 ATOM 3341 H2 TIP3 635 8.960 -13.920 -26.810 1.00 0.00 WAT1 ATOM 3342 OH2 TIP3 636 8.085 -11.761 -28.451 1.00 0.00 WAT1 ATOM 3343 H1 TIP3 636 8.369 -12.701 -28.501 1.00 0.00 WAT1 ATOM 3344 H2 TIP3 636 7.584 -11.622 -29.268 1.00 0.00 WAT1 ATOM 3345 OH2 TIP3 637 14.638 -12.372 -23.727 1.00 0.00 WAT1 ATOM 3346 H1 TIP3 637 14.294 -11.481 -23.932 1.00 0.00 WAT1 ATOM 3347 H2 TIP3 637 13.907 -12.806 -23.241 1.00 0.00 WAT1 ATOM 3348 OH2 TIP3 638 6.734 -9.382 -31.186 1.00 0.00 WAT1 ATOM 3349 H1 TIP3 638 7.691 -9.540 -31.115 1.00 0.00 WAT1 ATOM 3350 H2 TIP3 638 6.655 -8.748 -31.927 1.00 0.00 WAT1 ATOM 3351 OH2 TIP3 639 6.017 -13.402 -29.937 1.00 0.00 WAT1 ATOM 3352 H1 TIP3 639 5.996 -14.368 -29.759 1.00 0.00 WAT1 ATOM 3353 H2 TIP3 639 5.514 -13.007 -29.189 1.00 0.00 WAT1 ATOM 3354 OH2 TIP3 640 6.777 -9.740 -18.608 1.00 0.00 WAT1 ATOM 3355 H1 TIP3 640 6.577 -8.859 -18.976 1.00 0.00 WAT1 ATOM 3356 H2 TIP3 640 7.220 -10.210 -19.344 1.00 0.00 WAT1 ATOM 3357 OH2 TIP3 641 16.320 -14.098 -35.043 1.00 0.00 WAT1 ATOM 3358 H1 TIP3 641 17.011 -13.835 -35.666 1.00 0.00 WAT1 ATOM 3359 H2 TIP3 641 15.936 -14.905 -35.441 1.00 0.00 WAT1 ATOM 3360 OH2 TIP3 642 14.478 -8.664 -33.995 1.00 0.00 WAT1 ATOM 3361 H1 TIP3 642 15.249 -8.795 -34.564 1.00 0.00 WAT1 ATOM 3362 H2 TIP3 642 14.788 -8.935 -33.100 1.00 0.00 WAT1 ATOM 3363 OH2 TIP3 643 3.611 -6.596 -20.351 1.00 0.00 WAT1 ATOM 3364 H1 TIP3 643 4.425 -7.084 -20.125 1.00 0.00 WAT1 ATOM 3365 H2 TIP3 643 2.915 -7.015 -19.793 1.00 0.00 WAT1 ATOM 3366 OH2 TIP3 644 17.761 -9.856 -30.547 1.00 0.00 WAT1 ATOM 3367 H1 TIP3 644 18.593 -10.125 -30.975 1.00 0.00 WAT1 ATOM 3368 H2 TIP3 644 17.927 -9.990 -29.594 1.00 0.00 WAT1 ATOM 3369 OH2 TIP3 645 13.284 -10.439 -21.639 1.00 0.00 WAT1 ATOM 3370 H1 TIP3 645 12.834 -10.868 -20.886 1.00 0.00 WAT1 ATOM 3371 H2 TIP3 645 12.624 -9.841 -22.001 1.00 0.00 WAT1 ATOM 3372 OH2 TIP3 646 14.367 -9.938 -25.346 1.00 0.00 WAT1 ATOM 3373 H1 TIP3 646 15.283 -10.204 -25.526 1.00 0.00 WAT1 ATOM 3374 H2 TIP3 646 14.201 -9.212 -25.983 1.00 0.00 WAT1 ATOM 3375 OH2 TIP3 647 9.959 -9.729 -28.537 1.00 0.00 WAT1 ATOM 3376 H1 TIP3 647 10.463 -9.545 -27.719 1.00 0.00 WAT1 ATOM 3377 H2 TIP3 647 9.312 -10.412 -28.272 1.00 0.00 WAT1 ATOM 3378 OH2 TIP3 648 16.868 -9.281 -17.639 1.00 0.00 WAT1 ATOM 3379 H1 TIP3 648 17.019 -10.237 -17.484 1.00 0.00 WAT1 ATOM 3380 H2 TIP3 648 17.465 -9.068 -18.390 1.00 0.00 WAT1 ATOM 3381 OH2 TIP3 649 8.645 -14.505 -28.519 1.00 0.00 WAT1 ATOM 3382 H1 TIP3 649 9.429 -15.108 -28.524 1.00 0.00 WAT1 ATOM 3383 H2 TIP3 649 7.941 -15.033 -28.937 1.00 0.00 WAT1 ATOM 3384 OH2 TIP3 650 9.121 -9.416 -24.390 1.00 0.00 WAT1 ATOM 3385 H1 TIP3 650 9.824 -9.249 -25.041 1.00 0.00 WAT1 ATOM 3386 H2 TIP3 650 8.502 -10.017 -24.856 1.00 0.00 WAT1 ATOM 3387 OH2 TIP3 651 4.282 -10.262 -30.258 1.00 0.00 WAT1 ATOM 3388 H1 TIP3 651 4.052 -10.738 -31.071 1.00 0.00 WAT1 ATOM 3389 H2 TIP3 651 5.147 -9.838 -30.467 1.00 0.00 WAT1 ATOM 3390 OH2 TIP3 652 0.201 -4.322 -18.529 1.00 0.00 WAT1 ATOM 3391 H1 TIP3 652 1.050 -4.310 -19.030 1.00 0.00 WAT1 ATOM 3392 H2 TIP3 652 -0.098 -3.404 -18.555 1.00 0.00 WAT1 ATOM 3393 OH2 TIP3 653 6.679 -3.390 -19.281 1.00 0.00 WAT1 ATOM 3394 H1 TIP3 653 6.992 -2.743 -18.637 1.00 0.00 WAT1 ATOM 3395 H2 TIP3 653 6.516 -4.204 -18.742 1.00 0.00 WAT1 ATOM 3396 OH2 TIP3 654 7.191 -7.695 -33.350 1.00 0.00 WAT1 ATOM 3397 H1 TIP3 654 8.062 -7.281 -33.335 1.00 0.00 WAT1 ATOM 3398 H2 TIP3 654 7.149 -8.136 -34.235 1.00 0.00 WAT1 ATOM 3399 OH2 TIP3 655 7.866 -10.806 -20.968 1.00 0.00 WAT1 ATOM 3400 H1 TIP3 655 7.878 -9.951 -21.452 1.00 0.00 WAT1 ATOM 3401 H2 TIP3 655 7.858 -11.475 -21.670 1.00 0.00 WAT1 ATOM 3402 OH2 TIP3 656 11.377 -14.520 -19.631 1.00 0.00 WAT1 ATOM 3403 H1 TIP3 656 11.003 -15.416 -19.723 1.00 0.00 WAT1 ATOM 3404 H2 TIP3 656 10.994 -14.194 -18.791 1.00 0.00 WAT1 ATOM 3405 OH2 TIP3 657 13.458 -8.055 -13.834 1.00 0.00 WAT1 ATOM 3406 H1 TIP3 657 12.494 -8.226 -13.840 1.00 0.00 WAT1 ATOM 3407 H2 TIP3 657 13.799 -8.602 -14.574 1.00 0.00 WAT1 ATOM 3408 OH2 TIP3 658 6.329 -7.391 -20.099 1.00 0.00 WAT1 ATOM 3409 H1 TIP3 658 6.571 -6.467 -20.244 1.00 0.00 WAT1 ATOM 3410 H2 TIP3 658 6.812 -7.877 -20.803 1.00 0.00 WAT1 ATOM 3411 OH2 TIP3 659 10.767 -8.934 -14.012 1.00 0.00 WAT1 ATOM 3412 H1 TIP3 659 10.447 -9.354 -14.837 1.00 0.00 WAT1 ATOM 3413 H2 TIP3 659 10.018 -8.375 -13.729 1.00 0.00 WAT1 ATOM 3414 OH2 TIP3 660 12.008 -10.313 -17.325 1.00 0.00 WAT1 ATOM 3415 H1 TIP3 660 12.354 -10.938 -17.988 1.00 0.00 WAT1 ATOM 3416 H2 TIP3 660 12.788 -10.080 -16.786 1.00 0.00 WAT1 ATOM 3417 OH2 TIP3 661 14.367 -16.731 -11.701 1.00 0.00 WAT1 ATOM 3418 H1 TIP3 661 13.426 -16.724 -11.480 1.00 0.00 WAT1 ATOM 3419 H2 TIP3 661 14.446 -17.400 -12.412 1.00 0.00 WAT1 ATOM 3420 OH2 TIP3 662 10.092 -13.706 -17.240 1.00 0.00 WAT1 ATOM 3421 H1 TIP3 662 10.047 -13.282 -16.352 1.00 0.00 WAT1 ATOM 3422 H2 TIP3 662 9.805 -12.993 -17.856 1.00 0.00 WAT1 ATOM 3423 OH2 TIP3 663 22.565 -8.558 -30.517 1.00 0.00 WAT1 ATOM 3424 H1 TIP3 663 22.203 -7.948 -29.839 1.00 0.00 WAT1 ATOM 3425 H2 TIP3 663 22.261 -9.438 -30.234 1.00 0.00 WAT1 ATOM 3426 OH2 TIP3 664 4.522 -2.644 -20.880 1.00 0.00 WAT1 ATOM 3427 H1 TIP3 664 5.219 -2.870 -20.235 1.00 0.00 WAT1 ATOM 3428 H2 TIP3 664 4.996 -2.538 -21.713 1.00 0.00 WAT1 ATOM 3429 OH2 TIP3 665 18.105 -12.134 -36.822 1.00 0.00 WAT1 ATOM 3430 H1 TIP3 665 18.804 -11.658 -37.310 1.00 0.00 WAT1 ATOM 3431 H2 TIP3 665 18.149 -13.048 -37.179 1.00 0.00 WAT1 ATOM 3432 OH2 TIP3 666 15.163 -9.488 -31.457 1.00 0.00 WAT1 ATOM 3433 H1 TIP3 666 14.716 -10.246 -31.010 1.00 0.00 WAT1 ATOM 3434 H2 TIP3 666 16.106 -9.575 -31.186 1.00 0.00 WAT1 ATOM 3435 OH2 TIP3 667 13.800 -8.046 -27.358 1.00 0.00 WAT1 ATOM 3436 H1 TIP3 667 14.774 -7.937 -27.302 1.00 0.00 WAT1 ATOM 3437 H2 TIP3 667 13.599 -7.907 -28.310 1.00 0.00 WAT1 ATOM 3438 OH2 TIP3 668 21.184 -12.327 -18.948 1.00 0.00 WAT1 ATOM 3439 H1 TIP3 668 21.073 -13.211 -19.352 1.00 0.00 WAT1 ATOM 3440 H2 TIP3 668 20.971 -11.697 -19.678 1.00 0.00 WAT1 ATOM 3441 OH2 TIP3 669 14.098 -11.416 -29.869 1.00 0.00 WAT1 ATOM 3442 H1 TIP3 669 13.520 -11.605 -29.126 1.00 0.00 WAT1 ATOM 3443 H2 TIP3 669 14.728 -12.173 -29.885 1.00 0.00 WAT1 ATOM 3444 OH2 TIP3 670 4.808 -11.358 -25.538 1.00 0.00 WAT1 ATOM 3445 H1 TIP3 670 4.619 -11.576 -26.475 1.00 0.00 WAT1 ATOM 3446 H2 TIP3 670 5.786 -11.288 -25.505 1.00 0.00 WAT1 ATOM 3447 OH2 TIP3 671 3.406 -9.591 -23.967 1.00 0.00 WAT1 ATOM 3448 H1 TIP3 671 3.908 -8.788 -23.697 1.00 0.00 WAT1 ATOM 3449 H2 TIP3 671 4.019 -10.069 -24.568 1.00 0.00 WAT1 ATOM 3450 OH2 TIP3 672 18.702 -9.160 -19.776 1.00 0.00 WAT1 ATOM 3451 H1 TIP3 672 19.568 -9.574 -19.941 1.00 0.00 WAT1 ATOM 3452 H2 TIP3 672 18.439 -8.814 -20.634 1.00 0.00 WAT1 ATOM 3453 OH2 TIP3 673 18.436 -11.284 -34.174 1.00 0.00 WAT1 ATOM 3454 H1 TIP3 673 18.462 -11.657 -35.075 1.00 0.00 WAT1 ATOM 3455 H2 TIP3 673 17.487 -11.319 -33.931 1.00 0.00 WAT1 ATOM 3456 OH2 TIP3 674 0.081 -12.428 -29.539 1.00 0.00 WAT1 ATOM 3457 H1 TIP3 674 0.220 -11.872 -30.347 1.00 0.00 WAT1 ATOM 3458 H2 TIP3 674 0.980 -12.762 -29.323 1.00 0.00 WAT1 ATOM 3459 OH2 TIP3 675 17.618 -13.177 -19.772 1.00 0.00 WAT1 ATOM 3460 H1 TIP3 675 16.819 -12.731 -20.134 1.00 0.00 WAT1 ATOM 3461 H2 TIP3 675 17.362 -14.125 -19.725 1.00 0.00 WAT1 ATOM 3462 OH2 TIP3 676 11.768 -14.540 -25.648 1.00 0.00 WAT1 ATOM 3463 H1 TIP3 676 12.253 -13.734 -25.435 1.00 0.00 WAT1 ATOM 3464 H2 TIP3 676 12.268 -14.929 -26.398 1.00 0.00 WAT1 ATOM 3465 OH2 TIP3 677 10.260 -16.770 -24.830 1.00 0.00 WAT1 ATOM 3466 H1 TIP3 677 10.794 -16.002 -25.110 1.00 0.00 WAT1 ATOM 3467 H2 TIP3 677 10.476 -17.468 -25.494 1.00 0.00 WAT1 ATOM 3468 OH2 TIP3 678 16.810 -11.711 -25.500 1.00 0.00 WAT1 ATOM 3469 H1 TIP3 678 17.568 -11.825 -24.887 1.00 0.00 WAT1 ATOM 3470 H2 TIP3 678 16.049 -12.086 -25.010 1.00 0.00 WAT1 ATOM 3471 OH2 TIP3 679 4.342 -12.044 -28.196 1.00 0.00 WAT1 ATOM 3472 H1 TIP3 679 3.556 -12.600 -28.397 1.00 0.00 WAT1 ATOM 3473 H2 TIP3 679 4.275 -11.295 -28.836 1.00 0.00 WAT1 ATOM 3474 OH2 TIP3 680 6.566 -16.133 -29.612 1.00 0.00 WAT1 ATOM 3475 H1 TIP3 680 6.128 -16.899 -29.177 1.00 0.00 WAT1 ATOM 3476 H2 TIP3 680 7.111 -16.535 -30.304 1.00 0.00 WAT1 ATOM 3477 OH2 TIP3 681 13.431 -15.595 -27.612 1.00 0.00 WAT1 ATOM 3478 H1 TIP3 681 13.874 -15.777 -28.472 1.00 0.00 WAT1 ATOM 3479 H2 TIP3 681 13.300 -16.498 -27.209 1.00 0.00 WAT1 ATOM 3480 OH2 TIP3 682 8.275 -12.619 -31.298 1.00 0.00 WAT1 ATOM 3481 H1 TIP3 682 7.450 -12.977 -30.902 1.00 0.00 WAT1 ATOM 3482 H2 TIP3 682 8.809 -13.408 -31.487 1.00 0.00 WAT1 ATOM 3483 OH2 TIP3 683 10.521 -5.961 -7.389 1.00 0.00 WAT1 ATOM 3484 H1 TIP3 683 11.401 -5.521 -7.466 1.00 0.00 WAT1 ATOM 3485 H2 TIP3 683 9.888 -5.250 -7.542 1.00 0.00 WAT1 ATOM 3486 OH2 TIP3 684 12.662 -7.940 -3.160 1.00 0.00 WAT1 ATOM 3487 H1 TIP3 684 12.822 -7.076 -2.727 1.00 0.00 WAT1 ATOM 3488 H2 TIP3 684 12.005 -7.737 -3.862 1.00 0.00 WAT1 ATOM 3489 OH2 TIP3 685 6.884 -7.223 -1.950 1.00 0.00 WAT1 ATOM 3490 H1 TIP3 685 6.468 -7.940 -2.481 1.00 0.00 WAT1 ATOM 3491 H2 TIP3 685 6.243 -6.502 -1.987 1.00 0.00 WAT1 ATOM 3492 OH2 TIP3 686 15.410 -5.133 -6.284 1.00 0.00 WAT1 ATOM 3493 H1 TIP3 686 16.225 -4.603 -6.152 1.00 0.00 WAT1 ATOM 3494 H2 TIP3 686 15.102 -5.327 -5.369 1.00 0.00 WAT1 ATOM 3495 OH2 TIP3 687 12.692 -5.328 -2.050 1.00 0.00 WAT1 ATOM 3496 H1 TIP3 687 11.758 -5.046 -1.928 1.00 0.00 WAT1 ATOM 3497 H2 TIP3 687 13.162 -4.896 -1.322 1.00 0.00 WAT1 ATOM 3498 OH2 TIP3 688 9.704 -8.490 -8.501 1.00 0.00 WAT1 ATOM 3499 H1 TIP3 688 9.684 -8.300 -9.464 1.00 0.00 WAT1 ATOM 3500 H2 TIP3 688 9.853 -7.618 -8.092 1.00 0.00 WAT1 ATOM 3501 OH2 TIP3 689 4.624 -8.059 -5.725 1.00 0.00 WAT1 ATOM 3502 H1 TIP3 689 4.277 -8.634 -6.444 1.00 0.00 WAT1 ATOM 3503 H2 TIP3 689 4.504 -7.167 -6.061 1.00 0.00 WAT1 ATOM 3504 OH2 TIP3 690 10.716 -7.357 -4.997 1.00 0.00 WAT1 ATOM 3505 H1 TIP3 690 10.152 -6.915 -4.313 1.00 0.00 WAT1 ATOM 3506 H2 TIP3 690 10.616 -6.792 -5.791 1.00 0.00 WAT1 ATOM 3507 OH2 TIP3 691 10.082 -11.907 -4.473 1.00 0.00 WAT1 ATOM 3508 H1 TIP3 691 9.300 -12.340 -4.832 1.00 0.00 WAT1 ATOM 3509 H2 TIP3 691 10.203 -11.114 -5.052 1.00 0.00 WAT1 ATOM 3510 OH2 TIP3 692 14.151 -1.055 -3.417 1.00 0.00 WAT1 ATOM 3511 H1 TIP3 692 13.215 -1.246 -3.546 1.00 0.00 WAT1 ATOM 3512 H2 TIP3 692 14.537 -1.152 -4.294 1.00 0.00 WAT1 ATOM 3513 OH2 TIP3 693 10.263 -4.400 -1.197 1.00 0.00 WAT1 ATOM 3514 H1 TIP3 693 10.199 -4.887 -0.343 1.00 0.00 WAT1 ATOM 3515 H2 TIP3 693 10.745 -3.574 -0.964 1.00 0.00 WAT1 ATOM 3516 OH2 TIP3 694 10.222 -9.794 -6.113 1.00 0.00 WAT1 ATOM 3517 H1 TIP3 694 10.345 -8.943 -5.639 1.00 0.00 WAT1 ATOM 3518 H2 TIP3 694 10.027 -9.524 -7.037 1.00 0.00 WAT1 ATOM 3519 OH2 TIP3 695 13.020 -4.768 -7.727 1.00 0.00 WAT1 ATOM 3520 H1 TIP3 695 13.427 -4.593 -8.604 1.00 0.00 WAT1 ATOM 3521 H2 TIP3 695 13.782 -4.782 -7.113 1.00 0.00 WAT1 ATOM 3522 OH2 TIP3 696 17.642 -1.705 -1.238 1.00 0.00 WAT1 ATOM 3523 H1 TIP3 696 17.350 -2.308 -1.954 1.00 0.00 WAT1 ATOM 3524 H2 TIP3 696 18.584 -1.523 -1.450 1.00 0.00 WAT1 ATOM 3525 OH2 TIP3 697 11.697 -5.484 -11.508 1.00 0.00 WAT1 ATOM 3526 H1 TIP3 697 11.585 -4.696 -10.961 1.00 0.00 WAT1 ATOM 3527 H2 TIP3 697 12.325 -5.201 -12.207 1.00 0.00 WAT1 ATOM 3528 OH2 TIP3 698 14.492 -9.618 -15.939 1.00 0.00 WAT1 ATOM 3529 H1 TIP3 698 15.111 -10.097 -15.336 1.00 0.00 WAT1 ATOM 3530 H2 TIP3 698 15.058 -9.341 -16.681 1.00 0.00 WAT1 ATOM 3531 OH2 TIP3 699 9.311 -6.283 -2.964 1.00 0.00 WAT1 ATOM 3532 H1 TIP3 699 8.442 -6.538 -2.601 1.00 0.00 WAT1 ATOM 3533 H2 TIP3 699 9.593 -5.526 -2.402 1.00 0.00 WAT1 ATOM 3534 OH2 TIP3 700 13.873 -4.435 -12.897 1.00 0.00 WAT1 ATOM 3535 H1 TIP3 700 14.557 -5.123 -13.068 1.00 0.00 WAT1 ATOM 3536 H2 TIP3 700 13.946 -3.838 -13.650 1.00 0.00 WAT1 ATOM 3537 OH2 TIP3 701 6.629 -8.471 2.489 1.00 0.00 WAT1 ATOM 3538 H1 TIP3 701 5.886 -8.089 2.969 1.00 0.00 WAT1 ATOM 3539 H2 TIP3 701 7.353 -8.515 3.162 1.00 0.00 WAT1 ATOM 3540 OH2 TIP3 702 17.290 -13.395 -11.119 1.00 0.00 WAT1 ATOM 3541 H1 TIP3 702 17.509 -13.062 -10.229 1.00 0.00 WAT1 ATOM 3542 H2 TIP3 702 18.060 -13.946 -11.356 1.00 0.00 WAT1 ATOM 3543 OH2 TIP3 703 15.654 -6.525 -13.228 1.00 0.00 WAT1 ATOM 3544 H1 TIP3 703 14.861 -7.083 -13.413 1.00 0.00 WAT1 ATOM 3545 H2 TIP3 703 16.343 -6.892 -13.822 1.00 0.00 WAT1 ATOM 3546 OH2 TIP3 704 7.522 -13.058 -13.118 1.00 0.00 WAT1 ATOM 3547 H1 TIP3 704 6.565 -13.171 -13.039 1.00 0.00 WAT1 ATOM 3548 H2 TIP3 704 7.865 -13.977 -13.181 1.00 0.00 WAT1 ATOM 3549 OH2 TIP3 705 9.779 -7.466 -11.087 1.00 0.00 WAT1 ATOM 3550 H1 TIP3 705 10.414 -6.763 -11.328 1.00 0.00 WAT1 ATOM 3551 H2 TIP3 705 9.185 -7.526 -11.862 1.00 0.00 WAT1 ATOM 3552 OH2 TIP3 706 14.305 -11.062 -10.456 1.00 0.00 WAT1 ATOM 3553 H1 TIP3 706 13.734 -11.060 -11.255 1.00 0.00 WAT1 ATOM 3554 H2 TIP3 706 13.677 -10.988 -9.713 1.00 0.00 WAT1 ATOM 3555 OH2 TIP3 707 15.342 -7.242 -1.648 1.00 0.00 WAT1 ATOM 3556 H1 TIP3 707 14.853 -8.041 -1.390 1.00 0.00 WAT1 ATOM 3557 H2 TIP3 707 15.705 -6.901 -0.800 1.00 0.00 WAT1 ATOM 3558 OH2 TIP3 708 8.219 -7.973 0.354 1.00 0.00 WAT1 ATOM 3559 H1 TIP3 708 7.733 -7.715 -0.460 1.00 0.00 WAT1 ATOM 3560 H2 TIP3 708 7.518 -8.044 1.040 1.00 0.00 WAT1 ATOM 3561 OH2 TIP3 709 9.416 -9.946 -16.306 1.00 0.00 WAT1 ATOM 3562 H1 TIP3 709 10.257 -10.049 -16.810 1.00 0.00 WAT1 ATOM 3563 H2 TIP3 709 8.728 -9.931 -16.992 1.00 0.00 WAT1 ATOM 3564 OH2 TIP3 710 3.473 -10.792 -13.564 1.00 0.00 WAT1 ATOM 3565 H1 TIP3 710 4.292 -10.587 -14.032 1.00 0.00 WAT1 ATOM 3566 H2 TIP3 710 3.530 -10.259 -12.732 1.00 0.00 WAT1 ATOM 3567 OH2 TIP3 711 3.885 -9.532 -11.201 1.00 0.00 WAT1 ATOM 3568 H1 TIP3 711 4.278 -10.186 -10.582 1.00 0.00 WAT1 ATOM 3569 H2 TIP3 711 3.965 -8.692 -10.739 1.00 0.00 WAT1 ATOM 3570 OH2 TIP3 712 12.359 -10.816 -12.496 1.00 0.00 WAT1 ATOM 3571 H1 TIP3 712 12.300 -11.517 -13.154 1.00 0.00 WAT1 ATOM 3572 H2 TIP3 712 11.821 -10.092 -12.872 1.00 0.00 WAT1 ATOM 3573 OH2 TIP3 713 8.449 -7.326 -13.566 1.00 0.00 WAT1 ATOM 3574 H1 TIP3 713 7.658 -7.667 -14.011 1.00 0.00 WAT1 ATOM 3575 H2 TIP3 713 8.512 -6.413 -13.869 1.00 0.00 WAT1 ATOM 3576 OH2 TIP3 714 7.573 -11.386 -8.875 1.00 0.00 WAT1 ATOM 3577 H1 TIP3 714 8.160 -11.752 -9.578 1.00 0.00 WAT1 ATOM 3578 H2 TIP3 714 8.022 -10.575 -8.591 1.00 0.00 WAT1 ATOM 3579 OH2 TIP3 715 16.854 -3.612 -3.154 1.00 0.00 WAT1 ATOM 3580 H1 TIP3 715 17.350 -3.680 -3.993 1.00 0.00 WAT1 ATOM 3581 H2 TIP3 715 16.033 -4.120 -3.324 1.00 0.00 WAT1 ATOM 3582 OH2 TIP3 716 9.531 -12.348 -14.939 1.00 0.00 WAT1 ATOM 3583 H1 TIP3 716 8.779 -12.473 -14.328 1.00 0.00 WAT1 ATOM 3584 H2 TIP3 716 9.381 -11.462 -15.328 1.00 0.00 WAT1 ATOM 3585 OH2 TIP3 717 12.055 -2.398 -0.493 1.00 0.00 WAT1 ATOM 3586 H1 TIP3 717 11.642 -1.627 -0.040 1.00 0.00 WAT1 ATOM 3587 H2 TIP3 717 13.007 -2.191 -0.491 1.00 0.00 WAT1 ATOM 3588 OH2 TIP3 718 11.242 -7.611 3.024 1.00 0.00 WAT1 ATOM 3589 H1 TIP3 718 11.880 -7.748 2.292 1.00 0.00 WAT1 ATOM 3590 H2 TIP3 718 11.767 -7.793 3.832 1.00 0.00 WAT1 ATOM 3591 OH2 TIP3 719 19.642 -3.377 1.928 1.00 0.00 WAT1 ATOM 3592 H1 TIP3 719 18.946 -2.695 1.849 1.00 0.00 WAT1 ATOM 3593 H2 TIP3 719 20.462 -2.897 1.735 1.00 0.00 WAT1 ATOM 3594 OH2 TIP3 720 14.860 -5.485 -3.672 1.00 0.00 WAT1 ATOM 3595 H1 TIP3 720 13.976 -5.244 -3.319 1.00 0.00 WAT1 ATOM 3596 H2 TIP3 720 15.181 -6.175 -3.046 1.00 0.00 WAT1 ATOM 3597 OH2 TIP3 721 6.260 -5.542 -17.681 1.00 0.00 WAT1 ATOM 3598 H1 TIP3 721 5.970 -6.396 -18.034 1.00 0.00 WAT1 ATOM 3599 H2 TIP3 721 6.242 -5.666 -16.712 1.00 0.00 WAT1 ATOM 3600 OH2 TIP3 722 14.853 -1.818 -0.899 1.00 0.00 WAT1 ATOM 3601 H1 TIP3 722 15.784 -1.537 -0.842 1.00 0.00 WAT1 ATOM 3602 H2 TIP3 722 14.563 -1.499 -1.783 1.00 0.00 WAT1 ATOM 3603 OH2 TIP3 723 5.557 -9.162 -3.423 1.00 0.00 WAT1 ATOM 3604 H1 TIP3 723 4.907 -9.897 -3.374 1.00 0.00 WAT1 ATOM 3605 H2 TIP3 723 5.323 -8.696 -4.263 1.00 0.00 WAT1 ATOM 3606 OH2 TIP3 724 14.336 -4.457 -10.139 1.00 0.00 WAT1 ATOM 3607 H1 TIP3 724 14.071 -4.226 -11.050 1.00 0.00 WAT1 ATOM 3608 H2 TIP3 724 15.292 -4.656 -10.215 1.00 0.00 WAT1 ATOM 3609 OH2 TIP3 725 4.953 -14.943 -12.208 1.00 0.00 WAT1 ATOM 3610 H1 TIP3 725 4.987 -14.844 -11.247 1.00 0.00 WAT1 ATOM 3611 H2 TIP3 725 4.219 -14.358 -12.481 1.00 0.00 WAT1 ATOM 3612 OH2 TIP3 726 5.797 -6.277 -14.958 1.00 0.00 WAT1 ATOM 3613 H1 TIP3 726 5.399 -5.777 -14.239 1.00 0.00 WAT1 ATOM 3614 H2 TIP3 726 5.022 -6.630 -15.460 1.00 0.00 WAT1 ATOM 3615 OH2 TIP3 727 5.313 -15.696 -8.514 1.00 0.00 WAT1 ATOM 3616 H1 TIP3 727 6.103 -15.111 -8.490 1.00 0.00 WAT1 ATOM 3617 H2 TIP3 727 4.614 -15.133 -8.885 1.00 0.00 WAT1 ATOM 3618 OH2 TIP3 728 18.183 -1.043 1.395 1.00 0.00 WAT1 ATOM 3619 H1 TIP3 728 17.898 -1.278 0.483 1.00 0.00 WAT1 ATOM 3620 H2 TIP3 728 17.468 -0.490 1.731 1.00 0.00 WAT1 ATOM 3621 OH2 TIP3 729 9.534 -9.908 1.911 1.00 0.00 WAT1 ATOM 3622 H1 TIP3 729 9.126 -9.327 1.243 1.00 0.00 WAT1 ATOM 3623 H2 TIP3 729 9.606 -9.344 2.702 1.00 0.00 WAT1 ATOM 3624 OH2 TIP3 730 11.025 -0.209 0.801 1.00 0.00 WAT1 ATOM 3625 H1 TIP3 730 11.207 0.733 0.821 1.00 0.00 WAT1 ATOM 3626 H2 TIP3 730 10.289 -0.324 1.442 1.00 0.00 WAT1 ATOM 3627 OH2 TIP3 731 20.566 -6.593 -17.128 1.00 0.00 WAT1 ATOM 3628 H1 TIP3 731 20.023 -6.035 -17.692 1.00 0.00 WAT1 ATOM 3629 H2 TIP3 731 21.337 -6.822 -17.688 1.00 0.00 WAT1 ATOM 3630 OH2 TIP3 732 10.297 -13.754 1.538 1.00 0.00 WAT1 ATOM 3631 H1 TIP3 732 11.043 -13.623 2.158 1.00 0.00 WAT1 ATOM 3632 H2 TIP3 732 9.563 -13.240 1.940 1.00 0.00 WAT1 ATOM 3633 OH2 TIP3 733 10.102 -6.067 0.946 1.00 0.00 WAT1 ATOM 3634 H1 TIP3 733 10.465 -6.373 1.795 1.00 0.00 WAT1 ATOM 3635 H2 TIP3 733 9.421 -6.731 0.724 1.00 0.00 WAT1 ATOM 3636 OH2 TIP3 734 12.737 -8.456 5.181 1.00 0.00 WAT1 ATOM 3637 H1 TIP3 734 13.083 -9.327 4.876 1.00 0.00 WAT1 ATOM 3638 H2 TIP3 734 13.497 -8.038 5.609 1.00 0.00 WAT1 ATOM 3639 OH2 TIP3 735 16.090 -4.333 -0.497 1.00 0.00 WAT1 ATOM 3640 H1 TIP3 735 15.519 -3.549 -0.387 1.00 0.00 WAT1 ATOM 3641 H2 TIP3 735 16.502 -4.205 -1.368 1.00 0.00 WAT1 ATOM 3642 OH2 TIP3 736 6.546 -10.960 1.189 1.00 0.00 WAT1 ATOM 3643 H1 TIP3 736 6.727 -10.741 0.260 1.00 0.00 WAT1 ATOM 3644 H2 TIP3 736 6.479 -10.093 1.632 1.00 0.00 WAT1 ATOM 3645 OH2 TIP3 737 6.938 -10.806 -1.686 1.00 0.00 WAT1 ATOM 3646 H1 TIP3 737 6.478 -10.196 -2.303 1.00 0.00 WAT1 ATOM 3647 H2 TIP3 737 6.377 -11.593 -1.668 1.00 0.00 WAT1 ATOM 3648 OH2 TIP3 738 10.041 -14.855 6.815 1.00 0.00 WAT1 ATOM 3649 H1 TIP3 738 9.379 -14.467 6.207 1.00 0.00 WAT1 ATOM 3650 H2 TIP3 738 10.378 -15.631 6.333 1.00 0.00 WAT1 ATOM 3651 OH2 TIP3 739 18.263 -4.299 -8.490 1.00 0.00 WAT1 ATOM 3652 H1 TIP3 739 18.980 -4.538 -9.111 1.00 0.00 WAT1 ATOM 3653 H2 TIP3 739 17.538 -4.016 -9.068 1.00 0.00 WAT1 ATOM 3654 OH2 TIP3 740 20.346 -1.332 -1.692 1.00 0.00 WAT1 ATOM 3655 H1 TIP3 740 20.972 -2.081 -1.820 1.00 0.00 WAT1 ATOM 3656 H2 TIP3 740 20.652 -0.661 -2.316 1.00 0.00 WAT1 ATOM 3657 OH2 TIP3 741 19.986 -8.213 -14.992 1.00 0.00 WAT1 ATOM 3658 H1 TIP3 741 19.024 -8.102 -14.890 1.00 0.00 WAT1 ATOM 3659 H2 TIP3 741 20.218 -7.611 -15.735 1.00 0.00 WAT1 ATOM 3660 OH2 TIP3 742 17.170 -8.092 -15.035 1.00 0.00 WAT1 ATOM 3661 H1 TIP3 742 16.952 -9.005 -14.758 1.00 0.00 WAT1 ATOM 3662 H2 TIP3 742 17.115 -8.124 -16.011 1.00 0.00 WAT1 ATOM 3663 OH2 TIP3 743 19.803 -5.103 -1.487 1.00 0.00 WAT1 ATOM 3664 H1 TIP3 743 19.443 -4.745 -0.664 1.00 0.00 WAT1 ATOM 3665 H2 TIP3 743 20.729 -5.329 -1.266 1.00 0.00 WAT1 ATOM 3666 OH2 TIP3 744 16.503 -10.816 -14.735 1.00 0.00 WAT1 ATOM 3667 H1 TIP3 744 16.834 -11.283 -13.959 1.00 0.00 WAT1 ATOM 3668 H2 TIP3 744 16.690 -11.425 -15.481 1.00 0.00 WAT1 ATOM 3669 OH2 TIP3 745 3.570 -9.434 -7.868 1.00 0.00 WAT1 ATOM 3670 H1 TIP3 745 4.083 -10.147 -8.302 1.00 0.00 WAT1 ATOM 3671 H2 TIP3 745 2.686 -9.522 -8.237 1.00 0.00 WAT1 ATOM 3672 OH2 TIP3 746 21.807 -15.016 -12.316 1.00 0.00 WAT1 ATOM 3673 H1 TIP3 746 21.641 -15.527 -13.134 1.00 0.00 WAT1 ATOM 3674 H2 TIP3 746 22.051 -14.119 -12.642 1.00 0.00 WAT1 ATOM 3675 OH2 TIP3 747 0.543 -13.651 -13.808 1.00 0.00 WAT1 ATOM 3676 H1 TIP3 747 -0.349 -13.273 -13.974 1.00 0.00 WAT1 ATOM 3677 H2 TIP3 747 0.450 -14.598 -14.056 1.00 0.00 WAT1 ATOM 3678 OH2 TIP3 748 7.481 -14.120 -8.388 1.00 0.00 WAT1 ATOM 3679 H1 TIP3 748 7.529 -13.141 -8.378 1.00 0.00 WAT1 ATOM 3680 H2 TIP3 748 8.047 -14.399 -7.640 1.00 0.00 WAT1 ATOM 3681 OH2 TIP3 749 2.019 -10.113 -17.873 1.00 0.00 WAT1 ATOM 3682 H1 TIP3 749 2.927 -10.467 -17.986 1.00 0.00 WAT1 ATOM 3683 H2 TIP3 749 1.776 -10.368 -16.954 1.00 0.00 WAT1 ATOM 3684 OH2 TIP3 750 3.882 -11.326 -3.189 1.00 0.00 WAT1 ATOM 3685 H1 TIP3 750 3.113 -11.238 -2.616 1.00 0.00 WAT1 ATOM 3686 H2 TIP3 750 3.637 -12.019 -3.813 1.00 0.00 WAT1 ATOM 3687 OH2 TIP3 751 8.580 -15.122 -0.120 1.00 0.00 WAT1 ATOM 3688 H1 TIP3 751 9.200 -14.649 0.473 1.00 0.00 WAT1 ATOM 3689 H2 TIP3 751 7.747 -15.183 0.402 1.00 0.00 WAT1 ATOM 3690 OH2 TIP3 752 9.990 -12.242 13.897 1.00 0.00 WAT1 ATOM 3691 H1 TIP3 752 10.025 -11.566 14.578 1.00 0.00 WAT1 ATOM 3692 H2 TIP3 752 9.383 -12.924 14.267 1.00 0.00 WAT1 ATOM 3693 OH2 TIP3 753 9.000 -0.286 2.657 1.00 0.00 WAT1 ATOM 3694 H1 TIP3 753 8.072 -0.051 2.568 1.00 0.00 WAT1 ATOM 3695 H2 TIP3 753 9.057 -0.709 3.520 1.00 0.00 WAT1 ATOM 3696 OH2 TIP3 754 13.271 -7.921 1.113 1.00 0.00 WAT1 ATOM 3697 H1 TIP3 754 13.828 -7.171 1.377 1.00 0.00 WAT1 ATOM 3698 H2 TIP3 754 13.901 -8.557 0.725 1.00 0.00 WAT1 ATOM 3699 OH2 TIP3 755 12.240 -13.299 3.441 1.00 0.00 WAT1 ATOM 3700 H1 TIP3 755 12.840 -14.073 3.381 1.00 0.00 WAT1 ATOM 3701 H2 TIP3 755 11.944 -13.294 4.370 1.00 0.00 WAT1 ATOM 3702 OH2 TIP3 756 8.408 -12.261 2.758 1.00 0.00 WAT1 ATOM 3703 H1 TIP3 756 8.920 -11.440 2.587 1.00 0.00 WAT1 ATOM 3704 H2 TIP3 756 7.559 -12.107 2.288 1.00 0.00 WAT1 ATOM 3705 OH2 TIP3 757 9.604 -11.977 7.921 1.00 0.00 WAT1 ATOM 3706 H1 TIP3 757 8.716 -12.246 8.241 1.00 0.00 WAT1 ATOM 3707 H2 TIP3 757 9.469 -11.083 7.568 1.00 0.00 WAT1 ATOM 3708 OH2 TIP3 758 7.444 -13.293 9.019 1.00 0.00 WAT1 ATOM 3709 H1 TIP3 758 6.954 -13.936 8.470 1.00 0.00 WAT1 ATOM 3710 H2 TIP3 758 8.120 -13.833 9.479 1.00 0.00 WAT1 ATOM 3711 OH2 TIP3 759 15.766 -10.858 2.990 1.00 0.00 WAT1 ATOM 3712 H1 TIP3 759 15.120 -10.701 3.703 1.00 0.00 WAT1 ATOM 3713 H2 TIP3 759 16.623 -10.604 3.382 1.00 0.00 WAT1 ATOM 3714 OH2 TIP3 760 18.178 -10.251 4.253 1.00 0.00 WAT1 ATOM 3715 H1 TIP3 760 18.849 -9.547 4.099 1.00 0.00 WAT1 ATOM 3716 H2 TIP3 760 17.558 -9.850 4.905 1.00 0.00 WAT1 ATOM 3717 OH2 TIP3 761 17.561 -7.827 8.361 1.00 0.00 WAT1 ATOM 3718 H1 TIP3 761 17.949 -7.297 7.643 1.00 0.00 WAT1 ATOM 3719 H2 TIP3 761 17.739 -7.316 9.156 1.00 0.00 WAT1 ATOM 3720 OH2 TIP3 762 15.802 -15.444 5.864 1.00 0.00 WAT1 ATOM 3721 H1 TIP3 762 16.353 -16.180 6.171 1.00 0.00 WAT1 ATOM 3722 H2 TIP3 762 16.300 -14.649 6.130 1.00 0.00 WAT1 ATOM 3723 OH2 TIP3 763 11.731 -12.401 6.177 1.00 0.00 WAT1 ATOM 3724 H1 TIP3 763 12.336 -13.107 6.493 1.00 0.00 WAT1 ATOM 3725 H2 TIP3 763 10.967 -12.449 6.795 1.00 0.00 WAT1 ATOM 3726 OH2 TIP3 764 13.568 -14.340 6.886 1.00 0.00 WAT1 ATOM 3727 H1 TIP3 764 14.267 -14.788 6.356 1.00 0.00 WAT1 ATOM 3728 H2 TIP3 764 14.072 -13.758 7.499 1.00 0.00 WAT1 ATOM 3729 OH2 TIP3 765 10.395 -9.873 5.879 1.00 0.00 WAT1 ATOM 3730 H1 TIP3 765 11.161 -9.272 5.789 1.00 0.00 WAT1 ATOM 3731 H2 TIP3 765 10.781 -10.763 5.796 1.00 0.00 WAT1 ATOM 3732 OH2 TIP3 766 8.794 -8.410 4.168 1.00 0.00 WAT1 ATOM 3733 H1 TIP3 766 9.146 -8.975 4.891 1.00 0.00 WAT1 ATOM 3734 H2 TIP3 766 9.526 -7.798 3.967 1.00 0.00 WAT1 ATOM 3735 OH2 TIP3 767 16.287 -6.712 0.832 1.00 0.00 WAT1 ATOM 3736 H1 TIP3 767 16.319 -5.761 0.578 1.00 0.00 WAT1 ATOM 3737 H2 TIP3 767 17.185 -6.903 1.158 1.00 0.00 WAT1 ATOM 3738 OH2 TIP3 768 19.821 -11.251 2.178 1.00 0.00 WAT1 ATOM 3739 H1 TIP3 768 19.111 -10.889 2.742 1.00 0.00 WAT1 ATOM 3740 H2 TIP3 768 20.569 -11.360 2.780 1.00 0.00 WAT1 ATOM 3741 OH2 TIP3 769 16.563 -8.799 5.951 1.00 0.00 WAT1 ATOM 3742 H1 TIP3 769 16.665 -8.800 6.921 1.00 0.00 WAT1 ATOM 3743 H2 TIP3 769 17.009 -7.971 5.669 1.00 0.00 WAT1 ATOM 3744 OH2 TIP3 770 15.327 -12.735 8.319 1.00 0.00 WAT1 ATOM 3745 H1 TIP3 770 15.525 -11.793 8.299 1.00 0.00 WAT1 ATOM 3746 H2 TIP3 770 16.170 -13.162 8.034 1.00 0.00 WAT1 ATOM 3747 OH2 TIP3 771 21.701 -13.227 4.307 1.00 0.00 WAT1 ATOM 3748 H1 TIP3 771 22.124 -12.817 5.093 1.00 0.00 WAT1 ATOM 3749 H2 TIP3 771 22.445 -13.376 3.684 1.00 0.00 WAT1 ATOM 3750 OH2 TIP3 772 11.157 -12.322 11.421 1.00 0.00 WAT1 ATOM 3751 H1 TIP3 772 10.910 -11.418 11.199 1.00 0.00 WAT1 ATOM 3752 H2 TIP3 772 10.835 -12.436 12.349 1.00 0.00 WAT1 ATOM 3753 OH2 TIP3 773 4.909 -13.181 10.091 1.00 0.00 WAT1 ATOM 3754 H1 TIP3 773 5.853 -12.981 9.922 1.00 0.00 WAT1 ATOM 3755 H2 TIP3 773 4.737 -12.795 10.955 1.00 0.00 WAT1 ATOM 3756 OH2 TIP3 774 9.990 -14.188 9.718 1.00 0.00 WAT1 ATOM 3757 H1 TIP3 774 10.398 -13.684 10.452 1.00 0.00 WAT1 ATOM 3758 H2 TIP3 774 10.033 -13.576 8.958 1.00 0.00 WAT1 ATOM 3759 OH2 TIP3 775 8.304 -13.886 15.310 1.00 0.00 WAT1 ATOM 3760 H1 TIP3 775 7.962 -14.731 14.931 1.00 0.00 WAT1 ATOM 3761 H2 TIP3 775 7.802 -13.777 16.122 1.00 0.00 WAT1 ATOM 3762 OH2 TIP3 776 17.587 -13.748 7.160 1.00 0.00 WAT1 ATOM 3763 H1 TIP3 776 18.134 -13.299 6.470 1.00 0.00 WAT1 ATOM 3764 H2 TIP3 776 17.926 -14.670 7.171 1.00 0.00 WAT1 ATOM 3765 OH2 TIP3 777 13.386 -10.994 4.494 1.00 0.00 WAT1 ATOM 3766 H1 TIP3 777 12.985 -11.416 5.281 1.00 0.00 WAT1 ATOM 3767 H2 TIP3 777 13.065 -11.535 3.751 1.00 0.00 WAT1 ATOM 3768 OH2 TIP3 778 21.005 -32.326 -16.830 1.00 0.00 WAT1 ATOM 3769 H1 TIP3 778 21.905 -31.934 -16.738 1.00 0.00 WAT1 ATOM 3770 H2 TIP3 778 20.870 -32.794 -15.977 1.00 0.00 WAT1 ATOM 3771 OH2 TIP3 779 18.219 -37.093 -22.720 1.00 0.00 WAT1 ATOM 3772 H1 TIP3 779 17.310 -37.342 -22.981 1.00 0.00 WAT1 ATOM 3773 H2 TIP3 779 18.407 -36.289 -23.242 1.00 0.00 WAT1 ATOM 3774 OH2 TIP3 780 18.520 -34.599 -23.933 1.00 0.00 WAT1 ATOM 3775 H1 TIP3 780 18.871 -34.247 -23.077 1.00 0.00 WAT1 ATOM 3776 H2 TIP3 780 17.545 -34.475 -23.860 1.00 0.00 WAT1 ATOM 3777 OH2 TIP3 781 25.123 -35.753 -19.147 1.00 0.00 WAT1 ATOM 3778 H1 TIP3 781 24.572 -35.974 -18.368 1.00 0.00 WAT1 ATOM 3779 H2 TIP3 781 26.025 -35.894 -18.847 1.00 0.00 WAT1 ATOM 3780 OH2 TIP3 782 17.169 -39.805 -21.350 1.00 0.00 WAT1 ATOM 3781 H1 TIP3 782 17.821 -39.292 -20.841 1.00 0.00 WAT1 ATOM 3782 H2 TIP3 782 16.781 -39.153 -21.965 1.00 0.00 WAT1 ATOM 3783 OH2 TIP3 783 23.805 -32.513 -21.751 1.00 0.00 WAT1 ATOM 3784 H1 TIP3 783 24.541 -32.580 -22.364 1.00 0.00 WAT1 ATOM 3785 H2 TIP3 783 23.588 -33.451 -21.533 1.00 0.00 WAT1 ATOM 3786 OH2 TIP3 784 19.235 -34.626 -17.361 1.00 0.00 WAT1 ATOM 3787 H1 TIP3 784 19.585 -33.728 -17.243 1.00 0.00 WAT1 ATOM 3788 H2 TIP3 784 18.530 -34.519 -18.038 1.00 0.00 WAT1 ATOM 3789 OH2 TIP3 785 23.925 -34.218 -15.344 1.00 0.00 WAT1 ATOM 3790 H1 TIP3 785 23.890 -35.016 -15.919 1.00 0.00 WAT1 ATOM 3791 H2 TIP3 785 24.793 -34.281 -14.894 1.00 0.00 WAT1 ATOM 3792 OH2 TIP3 786 20.165 -35.987 -15.154 1.00 0.00 WAT1 ATOM 3793 H1 TIP3 786 19.735 -35.626 -15.956 1.00 0.00 WAT1 ATOM 3794 H2 TIP3 786 20.086 -36.961 -15.258 1.00 0.00 WAT1 ATOM 3795 OH2 TIP3 787 19.590 -32.109 -27.564 1.00 0.00 WAT1 ATOM 3796 H1 TIP3 787 18.751 -32.474 -27.233 1.00 0.00 WAT1 ATOM 3797 H2 TIP3 787 20.271 -32.643 -27.115 1.00 0.00 WAT1 ATOM 3798 OH2 TIP3 788 17.477 -33.569 -26.532 1.00 0.00 WAT1 ATOM 3799 H1 TIP3 788 17.935 -34.292 -26.072 1.00 0.00 WAT1 ATOM 3800 H2 TIP3 788 17.277 -33.934 -27.423 1.00 0.00 WAT1 ATOM 3801 OH2 TIP3 789 19.409 -33.797 -21.480 1.00 0.00 WAT1 ATOM 3802 H1 TIP3 789 18.740 -33.902 -20.782 1.00 0.00 WAT1 ATOM 3803 H2 TIP3 789 20.221 -33.562 -20.993 1.00 0.00 WAT1 ATOM 3804 OH2 TIP3 790 23.449 -35.153 -21.212 1.00 0.00 WAT1 ATOM 3805 H1 TIP3 790 22.767 -35.819 -21.082 1.00 0.00 WAT1 ATOM 3806 H2 TIP3 790 24.114 -35.349 -20.512 1.00 0.00 WAT1 ATOM 3807 OH2 TIP3 791 20.930 -29.864 -18.187 1.00 0.00 WAT1 ATOM 3808 H1 TIP3 791 20.715 -30.713 -17.762 1.00 0.00 WAT1 ATOM 3809 H2 TIP3 791 21.412 -30.118 -19.002 1.00 0.00 WAT1 ATOM 3810 OH2 TIP3 792 21.235 -33.135 -19.490 1.00 0.00 WAT1 ATOM 3811 H1 TIP3 792 21.659 -32.350 -19.893 1.00 0.00 WAT1 ATOM 3812 H2 TIP3 792 21.187 -32.915 -18.539 1.00 0.00 WAT1 ATOM 3813 OH2 TIP3 793 20.596 -34.124 -25.744 1.00 0.00 WAT1 ATOM 3814 H1 TIP3 793 21.310 -34.677 -25.415 1.00 0.00 WAT1 ATOM 3815 H2 TIP3 793 19.883 -34.235 -25.083 1.00 0.00 WAT1 ATOM 3816 OH2 TIP3 794 22.388 -37.813 -8.217 1.00 0.00 WAT1 ATOM 3817 H1 TIP3 794 23.323 -37.981 -8.455 1.00 0.00 WAT1 ATOM 3818 H2 TIP3 794 22.350 -37.992 -7.258 1.00 0.00 WAT1 ATOM 3819 OH2 TIP3 795 21.855 -40.343 -12.316 1.00 0.00 WAT1 ATOM 3820 H1 TIP3 795 22.814 -40.331 -12.529 1.00 0.00 WAT1 ATOM 3821 H2 TIP3 795 21.685 -39.460 -11.942 1.00 0.00 WAT1 ATOM 3822 OH2 TIP3 796 23.005 -40.507 -9.623 1.00 0.00 WAT1 ATOM 3823 H1 TIP3 796 22.261 -40.545 -8.984 1.00 0.00 WAT1 ATOM 3824 H2 TIP3 796 22.591 -40.700 -10.477 1.00 0.00 WAT1 ATOM 3825 OH2 TIP3 797 22.280 -35.409 -11.850 1.00 0.00 WAT1 ATOM 3826 H1 TIP3 797 22.199 -36.307 -11.452 1.00 0.00 WAT1 ATOM 3827 H2 TIP3 797 23.219 -35.173 -11.721 1.00 0.00 WAT1 ATOM 3828 OH2 TIP3 798 24.838 -38.500 -9.269 1.00 0.00 WAT1 ATOM 3829 H1 TIP3 798 24.900 -38.036 -10.135 1.00 0.00 WAT1 ATOM 3830 H2 TIP3 798 24.322 -39.316 -9.469 1.00 0.00 WAT1 ATOM 3831 OH2 TIP3 799 26.021 -33.154 0.226 1.00 0.00 WAT1 ATOM 3832 H1 TIP3 799 25.351 -32.602 0.650 1.00 0.00 WAT1 ATOM 3833 H2 TIP3 799 25.504 -33.757 -0.349 1.00 0.00 WAT1 ATOM 3834 OH2 TIP3 800 24.058 -34.428 -1.275 1.00 0.00 WAT1 ATOM 3835 H1 TIP3 800 24.304 -33.738 -1.934 1.00 0.00 WAT1 ATOM 3836 H2 TIP3 800 23.436 -34.999 -1.755 1.00 0.00 WAT1 ATOM 3837 OH2 TIP3 801 20.655 -40.408 -8.161 1.00 0.00 WAT1 ATOM 3838 H1 TIP3 801 19.832 -40.874 -7.930 1.00 0.00 WAT1 ATOM 3839 H2 TIP3 801 20.404 -39.472 -8.170 1.00 0.00 WAT1 ATOM 3840 OH2 TIP3 802 27.843 -31.445 -0.966 1.00 0.00 WAT1 ATOM 3841 H1 TIP3 802 27.246 -32.110 -0.560 1.00 0.00 WAT1 ATOM 3842 H2 TIP3 802 27.678 -30.625 -0.444 1.00 0.00 WAT1 ATOM 3843 OH2 TIP3 803 22.231 -38.408 -5.518 1.00 0.00 WAT1 ATOM 3844 H1 TIP3 803 21.519 -39.061 -5.515 1.00 0.00 WAT1 ATOM 3845 H2 TIP3 803 21.853 -37.636 -5.038 1.00 0.00 WAT1 ATOM 3846 OH2 TIP3 804 19.591 -40.921 -0.675 1.00 0.00 WAT1 ATOM 3847 H1 TIP3 804 19.262 -40.925 0.227 1.00 0.00 WAT1 ATOM 3848 H2 TIP3 804 19.257 -40.074 -1.050 1.00 0.00 WAT1 ATOM 3849 OH2 TIP3 805 21.651 -37.862 -10.874 1.00 0.00 WAT1 ATOM 3850 H1 TIP3 805 20.690 -38.090 -10.884 1.00 0.00 WAT1 ATOM 3851 H2 TIP3 805 21.901 -37.930 -9.925 1.00 0.00 WAT1 ATOM 3852 OH2 TIP3 806 25.075 -36.994 -11.517 1.00 0.00 WAT1 ATOM 3853 H1 TIP3 806 24.628 -37.097 -12.383 1.00 0.00 WAT1 ATOM 3854 H2 TIP3 806 25.215 -36.034 -11.436 1.00 0.00 WAT1 ATOM 3855 OH2 TIP3 807 22.583 -38.763 -15.928 1.00 0.00 WAT1 ATOM 3856 H1 TIP3 807 21.608 -38.677 -15.825 1.00 0.00 WAT1 ATOM 3857 H2 TIP3 807 22.719 -39.729 -16.056 1.00 0.00 WAT1 ATOM 3858 OH2 TIP3 808 24.996 -32.535 -3.192 1.00 0.00 WAT1 ATOM 3859 H1 TIP3 808 25.918 -32.248 -3.293 1.00 0.00 WAT1 ATOM 3860 H2 TIP3 808 24.481 -31.861 -3.693 1.00 0.00 WAT1 ATOM 3861 OH2 TIP3 809 24.629 -31.522 -10.934 1.00 0.00 WAT1 ATOM 3862 H1 TIP3 809 24.672 -31.309 -9.980 1.00 0.00 WAT1 ATOM 3863 H2 TIP3 809 24.153 -30.758 -11.331 1.00 0.00 WAT1 ATOM 3864 OH2 TIP3 810 21.302 -35.825 -18.808 1.00 0.00 WAT1 ATOM 3865 H1 TIP3 810 21.453 -34.967 -19.256 1.00 0.00 WAT1 ATOM 3866 H2 TIP3 810 20.549 -35.650 -18.213 1.00 0.00 WAT1 ATOM 3867 OH2 TIP3 811 24.515 -39.730 -12.626 1.00 0.00 WAT1 ATOM 3868 H1 TIP3 811 24.292 -38.918 -13.116 1.00 0.00 WAT1 ATOM 3869 H2 TIP3 811 25.204 -39.453 -12.011 1.00 0.00 WAT1 ATOM 3870 OH2 TIP3 812 24.823 -34.217 -11.602 1.00 0.00 WAT1 ATOM 3871 H1 TIP3 812 25.315 -34.133 -12.447 1.00 0.00 WAT1 ATOM 3872 H2 TIP3 812 24.663 -33.284 -11.326 1.00 0.00 WAT1 ATOM 3873 OH2 TIP3 813 23.410 -36.379 -17.061 1.00 0.00 WAT1 ATOM 3874 H1 TIP3 813 22.656 -36.228 -17.671 1.00 0.00 WAT1 ATOM 3875 H2 TIP3 813 23.229 -37.266 -16.677 1.00 0.00 WAT1 ATOM 3876 OH2 TIP3 814 22.300 -35.562 3.770 1.00 0.00 WAT1 ATOM 3877 H1 TIP3 814 22.199 -36.512 3.872 1.00 0.00 WAT1 ATOM 3878 H2 TIP3 814 22.776 -35.460 2.921 1.00 0.00 WAT1 ATOM 3879 OH2 TIP3 815 18.523 -38.529 -1.471 1.00 0.00 WAT1 ATOM 3880 H1 TIP3 815 17.934 -37.962 -0.929 1.00 0.00 WAT1 ATOM 3881 H2 TIP3 815 18.110 -38.522 -2.357 1.00 0.00 WAT1 ATOM 3882 OH2 TIP3 816 26.244 -33.599 -13.963 1.00 0.00 WAT1 ATOM 3883 H1 TIP3 816 26.387 -32.758 -13.477 1.00 0.00 WAT1 ATOM 3884 H2 TIP3 816 26.723 -33.463 -14.811 1.00 0.00 WAT1 ATOM 3885 OH2 TIP3 817 23.578 -37.363 -13.782 1.00 0.00 WAT1 ATOM 3886 H1 TIP3 817 23.286 -37.870 -14.575 1.00 0.00 WAT1 ATOM 3887 H2 TIP3 817 22.810 -36.814 -13.557 1.00 0.00 WAT1 ATOM 3888 OH2 TIP3 818 18.616 -38.161 -7.289 1.00 0.00 WAT1 ATOM 3889 H1 TIP3 818 18.895 -37.233 -7.184 1.00 0.00 WAT1 ATOM 3890 H2 TIP3 818 17.657 -38.139 -7.101 1.00 0.00 WAT1 ATOM 3891 OH2 TIP3 819 21.667 -36.975 -1.546 1.00 0.00 WAT1 ATOM 3892 H1 TIP3 819 21.289 -37.856 -1.425 1.00 0.00 WAT1 ATOM 3893 H2 TIP3 819 21.587 -36.812 -2.510 1.00 0.00 WAT1 ATOM 3894 OH2 TIP3 820 22.614 -33.965 -3.944 1.00 0.00 WAT1 ATOM 3895 H1 TIP3 820 22.485 -33.303 -3.229 1.00 0.00 WAT1 ATOM 3896 H2 TIP3 820 23.512 -33.787 -4.269 1.00 0.00 WAT1 ATOM 3897 OH2 TIP3 821 29.956 -35.147 2.673 1.00 0.00 WAT1 ATOM 3898 H1 TIP3 821 30.797 -34.697 2.826 1.00 0.00 WAT1 ATOM 3899 H2 TIP3 821 30.208 -36.023 2.362 1.00 0.00 WAT1 ATOM 3900 OH2 TIP3 822 25.890 -32.655 6.296 1.00 0.00 WAT1 ATOM 3901 H1 TIP3 822 26.332 -33.535 6.337 1.00 0.00 WAT1 ATOM 3902 H2 TIP3 822 25.980 -32.390 5.368 1.00 0.00 WAT1 ATOM 3903 OH2 TIP3 823 30.522 -28.987 2.106 1.00 0.00 WAT1 ATOM 3904 H1 TIP3 823 31.479 -28.901 2.135 1.00 0.00 WAT1 ATOM 3905 H2 TIP3 823 30.372 -29.859 1.671 1.00 0.00 WAT1 ATOM 3906 OH2 TIP3 824 25.100 -34.022 -8.721 1.00 0.00 WAT1 ATOM 3907 H1 TIP3 824 25.051 -34.301 -9.650 1.00 0.00 WAT1 ATOM 3908 H2 TIP3 824 25.341 -34.847 -8.235 1.00 0.00 WAT1 ATOM 3909 OH2 TIP3 825 24.992 -38.432 -5.947 1.00 0.00 WAT1 ATOM 3910 H1 TIP3 825 25.074 -39.162 -6.570 1.00 0.00 WAT1 ATOM 3911 H2 TIP3 825 24.055 -38.458 -5.668 1.00 0.00 WAT1 ATOM 3912 OH2 TIP3 826 28.174 -33.133 2.056 1.00 0.00 WAT1 ATOM 3913 H1 TIP3 826 27.482 -33.424 1.428 1.00 0.00 WAT1 ATOM 3914 H2 TIP3 826 28.657 -33.959 2.286 1.00 0.00 WAT1 ATOM 3915 OH2 TIP3 827 23.199 -32.097 5.979 1.00 0.00 WAT1 ATOM 3916 H1 TIP3 827 24.010 -32.497 6.354 1.00 0.00 WAT1 ATOM 3917 H2 TIP3 827 23.013 -31.346 6.562 1.00 0.00 WAT1 ATOM 3918 OH2 TIP3 828 21.125 -33.841 5.527 1.00 0.00 WAT1 ATOM 3919 H1 TIP3 828 21.842 -33.222 5.776 1.00 0.00 WAT1 ATOM 3920 H2 TIP3 828 21.571 -34.503 4.949 1.00 0.00 WAT1 ATOM 3921 OH2 TIP3 829 25.019 -30.590 7.885 1.00 0.00 WAT1 ATOM 3922 H1 TIP3 829 25.272 -30.823 8.784 1.00 0.00 WAT1 ATOM 3923 H2 TIP3 829 25.457 -31.271 7.328 1.00 0.00 WAT1 ATOM 3924 OH2 TIP3 830 18.575 -34.843 5.086 1.00 0.00 WAT1 ATOM 3925 H1 TIP3 830 18.818 -34.775 4.144 1.00 0.00 WAT1 ATOM 3926 H2 TIP3 830 19.385 -34.562 5.560 1.00 0.00 WAT1 ATOM 3927 OH2 TIP3 831 19.083 -34.464 2.383 1.00 0.00 WAT1 ATOM 3928 H1 TIP3 831 19.684 -34.798 1.683 1.00 0.00 WAT1 ATOM 3929 H2 TIP3 831 18.247 -34.956 2.236 1.00 0.00 WAT1 ATOM 3930 OH2 TIP3 832 24.504 -21.216 -39.059 1.00 0.00 WAT1 ATOM 3931 H1 TIP3 832 23.633 -21.615 -39.257 1.00 0.00 WAT1 ATOM 3932 H2 TIP3 832 24.800 -20.862 -39.923 1.00 0.00 WAT1 ATOM 3933 OH2 TIP3 833 28.000 -17.237 -42.238 1.00 0.00 WAT1 ATOM 3934 H1 TIP3 833 27.535 -16.393 -42.415 1.00 0.00 WAT1 ATOM 3935 H2 TIP3 833 28.922 -16.964 -42.042 1.00 0.00 WAT1 ATOM 3936 OH2 TIP3 834 27.353 -19.074 -40.312 1.00 0.00 WAT1 ATOM 3937 H1 TIP3 834 27.630 -18.411 -40.987 1.00 0.00 WAT1 ATOM 3938 H2 TIP3 834 26.532 -19.450 -40.679 1.00 0.00 WAT1 ATOM 3939 OH2 TIP3 835 25.906 -18.709 -43.544 1.00 0.00 WAT1 ATOM 3940 H1 TIP3 835 25.791 -18.886 -44.510 1.00 0.00 WAT1 ATOM 3941 H2 TIP3 835 26.778 -18.274 -43.480 1.00 0.00 WAT1 ATOM 3942 OH2 TIP3 836 27.006 -22.621 -41.174 1.00 0.00 WAT1 ATOM 3943 H1 TIP3 836 27.425 -23.482 -41.265 1.00 0.00 WAT1 ATOM 3944 H2 TIP3 836 27.290 -22.308 -40.293 1.00 0.00 WAT1 ATOM 3945 OH2 TIP3 837 24.318 -21.508 -36.232 1.00 0.00 WAT1 ATOM 3946 H1 TIP3 837 24.730 -20.689 -35.892 1.00 0.00 WAT1 ATOM 3947 H2 TIP3 837 24.387 -21.425 -37.205 1.00 0.00 WAT1 ATOM 3948 OH2 TIP3 838 20.476 -22.745 -38.291 1.00 0.00 WAT1 ATOM 3949 H1 TIP3 838 20.423 -21.988 -37.668 1.00 0.00 WAT1 ATOM 3950 H2 TIP3 838 20.860 -23.475 -37.745 1.00 0.00 WAT1 ATOM 3951 OH2 TIP3 839 22.634 -19.986 -41.951 1.00 0.00 WAT1 ATOM 3952 H1 TIP3 839 22.262 -20.691 -41.383 1.00 0.00 WAT1 ATOM 3953 H2 TIP3 839 23.599 -20.114 -41.883 1.00 0.00 WAT1 ATOM 3954 OH2 TIP3 840 29.970 -19.156 -36.462 1.00 0.00 WAT1 ATOM 3955 H1 TIP3 840 30.100 -18.827 -37.381 1.00 0.00 WAT1 ATOM 3956 H2 TIP3 840 30.873 -19.274 -36.119 1.00 0.00 WAT1 ATOM 3957 OH2 TIP3 841 19.562 -18.875 -44.150 1.00 0.00 WAT1 ATOM 3958 H1 TIP3 841 19.626 -19.781 -43.834 1.00 0.00 WAT1 ATOM 3959 H2 TIP3 841 20.416 -18.470 -43.891 1.00 0.00 WAT1 ATOM 3960 OH2 TIP3 842 27.711 -17.744 -35.820 1.00 0.00 WAT1 ATOM 3961 H1 TIP3 842 27.102 -18.478 -35.625 1.00 0.00 WAT1 ATOM 3962 H2 TIP3 842 28.578 -18.188 -35.966 1.00 0.00 WAT1 ATOM 3963 OH2 TIP3 843 25.343 -20.519 -41.609 1.00 0.00 WAT1 ATOM 3964 H1 TIP3 843 25.551 -19.989 -42.417 1.00 0.00 WAT1 ATOM 3965 H2 TIP3 843 25.914 -21.321 -41.692 1.00 0.00 WAT1 ATOM 3966 OH2 TIP3 844 21.595 -24.574 -36.629 1.00 0.00 WAT1 ATOM 3967 H1 TIP3 844 22.266 -24.348 -35.957 1.00 0.00 WAT1 ATOM 3968 H2 TIP3 844 21.234 -25.428 -36.327 1.00 0.00 WAT1 ATOM 3969 OH2 TIP3 845 27.733 -20.736 -36.010 1.00 0.00 WAT1 ATOM 3970 H1 TIP3 845 27.555 -21.144 -36.883 1.00 0.00 WAT1 ATOM 3971 H2 TIP3 845 28.620 -20.334 -36.114 1.00 0.00 WAT1 ATOM 3972 OH2 TIP3 846 25.165 -19.169 -46.124 1.00 0.00 WAT1 ATOM 3973 H1 TIP3 846 25.092 -19.802 -46.842 1.00 0.00 WAT1 ATOM 3974 H2 TIP3 846 24.358 -18.611 -46.213 1.00 0.00 WAT1 ATOM 3975 OH2 TIP3 847 22.755 -17.816 -46.256 1.00 0.00 WAT1 ATOM 3976 H1 TIP3 847 22.470 -17.862 -45.324 1.00 0.00 WAT1 ATOM 3977 H2 TIP3 847 22.000 -17.398 -46.717 1.00 0.00 WAT1 ATOM 3978 OH2 TIP3 848 22.073 -17.861 -43.559 1.00 0.00 WAT1 ATOM 3979 H1 TIP3 848 22.284 -18.635 -42.981 1.00 0.00 WAT1 ATOM 3980 H2 TIP3 848 22.787 -17.218 -43.366 1.00 0.00 WAT1 ATOM 3981 OH2 TIP3 849 31.587 -19.355 -33.951 1.00 0.00 WAT1 ATOM 3982 H1 TIP3 849 30.750 -18.882 -33.806 1.00 0.00 WAT1 ATOM 3983 H2 TIP3 849 31.583 -20.056 -33.269 1.00 0.00 WAT1 ATOM 3984 OH2 TIP3 850 18.132 -19.194 -35.444 1.00 0.00 WAT1 ATOM 3985 H1 TIP3 850 18.461 -19.926 -34.907 1.00 0.00 WAT1 ATOM 3986 H2 TIP3 850 17.443 -19.604 -36.013 1.00 0.00 WAT1 ATOM 3987 OH2 TIP3 851 28.146 -19.932 -32.082 1.00 0.00 WAT1 ATOM 3988 H1 TIP3 851 27.411 -19.431 -31.643 1.00 0.00 WAT1 ATOM 3989 H2 TIP3 851 28.664 -19.234 -32.539 1.00 0.00 WAT1 ATOM 3990 OH2 TIP3 852 22.492 -21.007 -34.267 1.00 0.00 WAT1 ATOM 3991 H1 TIP3 852 23.103 -21.186 -35.013 1.00 0.00 WAT1 ATOM 3992 H2 TIP3 852 23.037 -21.159 -33.476 1.00 0.00 WAT1 ATOM 3993 OH2 TIP3 853 23.462 -23.839 -34.675 1.00 0.00 WAT1 ATOM 3994 H1 TIP3 853 23.797 -23.434 -33.848 1.00 0.00 WAT1 ATOM 3995 H2 TIP3 853 23.898 -23.324 -35.380 1.00 0.00 WAT1 ATOM 3996 OH2 TIP3 854 30.730 -20.941 -31.789 1.00 0.00 WAT1 ATOM 3997 H1 TIP3 854 30.558 -21.901 -31.881 1.00 0.00 WAT1 ATOM 3998 H2 TIP3 854 29.839 -20.546 -31.771 1.00 0.00 WAT1 ATOM 3999 OH2 TIP3 855 27.236 -21.328 -38.686 1.00 0.00 WAT1 ATOM 4000 H1 TIP3 855 26.258 -21.389 -38.706 1.00 0.00 WAT1 ATOM 4001 H2 TIP3 855 27.433 -20.484 -39.142 1.00 0.00 WAT1 ATOM 4002 OH2 TIP3 856 20.438 -16.489 -47.294 1.00 0.00 WAT1 ATOM 4003 H1 TIP3 856 20.227 -16.379 -48.251 1.00 0.00 WAT1 ATOM 4004 H2 TIP3 856 20.315 -15.601 -46.923 1.00 0.00 WAT1 ATOM 4005 OH2 TIP3 857 16.913 -20.133 -41.996 1.00 0.00 WAT1 ATOM 4006 H1 TIP3 857 17.263 -19.414 -42.534 1.00 0.00 WAT1 ATOM 4007 H2 TIP3 857 15.951 -19.969 -41.975 1.00 0.00 WAT1 ATOM 4008 OH2 TIP3 858 22.152 -22.140 -40.305 1.00 0.00 WAT1 ATOM 4009 H1 TIP3 858 22.100 -22.959 -40.814 1.00 0.00 WAT1 ATOM 4010 H2 TIP3 858 21.507 -22.275 -39.571 1.00 0.00 WAT1 ATOM 4011 OH2 TIP3 859 18.465 -30.656 -35.483 1.00 0.00 WAT1 ATOM 4012 H1 TIP3 859 19.133 -30.928 -34.816 1.00 0.00 WAT1 ATOM 4013 H2 TIP3 859 17.922 -31.470 -35.621 1.00 0.00 WAT1 ATOM 4014 OH2 TIP3 860 28.471 -15.820 -37.666 1.00 0.00 WAT1 ATOM 4015 H1 TIP3 860 28.997 -15.243 -37.074 1.00 0.00 WAT1 ATOM 4016 H2 TIP3 860 28.016 -16.435 -37.056 1.00 0.00 WAT1 ATOM 4017 OH2 TIP3 861 30.466 -16.501 -41.054 1.00 0.00 WAT1 ATOM 4018 H1 TIP3 861 31.036 -15.808 -40.645 1.00 0.00 WAT1 ATOM 4019 H2 TIP3 861 30.363 -17.168 -40.350 1.00 0.00 WAT1 ATOM 4020 OH2 TIP3 862 29.933 -12.271 -40.463 1.00 0.00 WAT1 ATOM 4021 H1 TIP3 862 29.624 -11.380 -40.749 1.00 0.00 WAT1 ATOM 4022 H2 TIP3 862 29.352 -12.488 -39.701 1.00 0.00 WAT1 ATOM 4023 OH2 TIP3 863 31.644 -14.347 -39.901 1.00 0.00 WAT1 ATOM 4024 H1 TIP3 863 31.140 -13.542 -40.150 1.00 0.00 WAT1 ATOM 4025 H2 TIP3 863 32.168 -14.072 -39.144 1.00 0.00 WAT1 ATOM 4026 OH2 TIP3 864 24.432 -16.363 -43.169 1.00 0.00 WAT1 ATOM 4027 H1 TIP3 864 24.841 -17.246 -43.274 1.00 0.00 WAT1 ATOM 4028 H2 TIP3 864 25.199 -15.760 -43.054 1.00 0.00 WAT1 ATOM 4029 OH2 TIP3 865 21.292 -18.516 -27.799 1.00 0.00 WAT1 ATOM 4030 H1 TIP3 865 21.697 -17.624 -27.893 1.00 0.00 WAT1 ATOM 4031 H2 TIP3 865 21.593 -18.822 -26.936 1.00 0.00 WAT1 ATOM 4032 OH2 TIP3 866 19.861 -26.382 -31.340 1.00 0.00 WAT1 ATOM 4033 H1 TIP3 866 20.438 -25.978 -32.026 1.00 0.00 WAT1 ATOM 4034 H2 TIP3 866 20.053 -25.875 -30.542 1.00 0.00 WAT1 ATOM 4035 OH2 TIP3 867 27.216 -17.714 -26.882 1.00 0.00 WAT1 ATOM 4036 H1 TIP3 867 26.401 -17.684 -27.431 1.00 0.00 WAT1 ATOM 4037 H2 TIP3 867 27.750 -18.436 -27.288 1.00 0.00 WAT1 ATOM 4038 OH2 TIP3 868 28.585 -19.654 -28.226 1.00 0.00 WAT1 ATOM 4039 H1 TIP3 868 29.547 -19.839 -28.348 1.00 0.00 WAT1 ATOM 4040 H2 TIP3 868 28.145 -20.437 -28.611 1.00 0.00 WAT1 ATOM 4041 OH2 TIP3 869 27.532 -17.999 -24.159 1.00 0.00 WAT1 ATOM 4042 H1 TIP3 869 28.075 -17.223 -23.915 1.00 0.00 WAT1 ATOM 4043 H2 TIP3 869 27.457 -17.939 -25.141 1.00 0.00 WAT1 ATOM 4044 OH2 TIP3 870 25.422 -19.462 -23.285 1.00 0.00 WAT1 ATOM 4045 H1 TIP3 870 26.146 -18.897 -23.640 1.00 0.00 WAT1 ATOM 4046 H2 TIP3 870 25.271 -20.114 -23.976 1.00 0.00 WAT1 ATOM 4047 OH2 TIP3 871 16.967 -17.369 -29.948 1.00 0.00 WAT1 ATOM 4048 H1 TIP3 871 17.475 -17.983 -29.378 1.00 0.00 WAT1 ATOM 4049 H2 TIP3 871 17.153 -17.689 -30.867 1.00 0.00 WAT1 ATOM 4050 OH2 TIP3 872 31.679 -17.271 -29.222 1.00 0.00 WAT1 ATOM 4051 H1 TIP3 872 30.752 -17.341 -29.535 1.00 0.00 WAT1 ATOM 4052 H2 TIP3 872 31.652 -16.542 -28.568 1.00 0.00 WAT1 ATOM 4053 OH2 TIP3 873 31.108 -20.014 -29.181 1.00 0.00 WAT1 ATOM 4054 H1 TIP3 873 31.182 -20.386 -30.081 1.00 0.00 WAT1 ATOM 4055 H2 TIP3 873 31.578 -19.160 -29.234 1.00 0.00 WAT1 ATOM 4056 OH2 TIP3 874 29.040 -23.113 -32.014 1.00 0.00 WAT1 ATOM 4057 H1 TIP3 874 28.566 -23.114 -31.168 1.00 0.00 WAT1 ATOM 4058 H2 TIP3 874 28.339 -23.032 -32.680 1.00 0.00 WAT1 ATOM 4059 OH2 TIP3 875 22.629 -19.234 -30.103 1.00 0.00 WAT1 ATOM 4060 H1 TIP3 875 22.264 -20.025 -30.570 1.00 0.00 WAT1 ATOM 4061 H2 TIP3 875 22.024 -19.107 -29.344 1.00 0.00 WAT1 ATOM 4062 OH2 TIP3 876 25.079 -17.958 -28.604 1.00 0.00 WAT1 ATOM 4063 H1 TIP3 876 25.631 -17.992 -29.419 1.00 0.00 WAT1 ATOM 4064 H2 TIP3 876 24.182 -18.119 -28.923 1.00 0.00 WAT1 ATOM 4065 OH2 TIP3 877 31.950 -12.620 -20.300 1.00 0.00 WAT1 ATOM 4066 H1 TIP3 877 31.162 -13.059 -20.649 1.00 0.00 WAT1 ATOM 4067 H2 TIP3 877 31.809 -11.674 -20.507 1.00 0.00 WAT1 ATOM 4068 OH2 TIP3 878 24.412 -18.566 -20.864 1.00 0.00 WAT1 ATOM 4069 H1 TIP3 878 23.450 -18.757 -20.770 1.00 0.00 WAT1 ATOM 4070 H2 TIP3 878 24.648 -18.951 -21.733 1.00 0.00 WAT1 ATOM 4071 OH2 TIP3 879 29.533 -14.587 -30.490 1.00 0.00 WAT1 ATOM 4072 H1 TIP3 879 28.956 -13.800 -30.608 1.00 0.00 WAT1 ATOM 4073 H2 TIP3 879 28.908 -15.333 -30.451 1.00 0.00 WAT1 ATOM 4074 OH2 TIP3 880 22.695 -16.204 -18.068 1.00 0.00 WAT1 ATOM 4075 H1 TIP3 880 22.027 -16.847 -17.755 1.00 0.00 WAT1 ATOM 4076 H2 TIP3 880 22.629 -15.462 -17.428 1.00 0.00 WAT1 ATOM 4077 OH2 TIP3 881 21.333 -25.150 -33.356 1.00 0.00 WAT1 ATOM 4078 H1 TIP3 881 21.097 -25.795 -34.060 1.00 0.00 WAT1 ATOM 4079 H2 TIP3 881 22.128 -24.697 -33.706 1.00 0.00 WAT1 ATOM 4080 OH2 TIP3 882 18.045 -19.783 -19.757 1.00 0.00 WAT1 ATOM 4081 H1 TIP3 882 18.522 -19.325 -20.490 1.00 0.00 WAT1 ATOM 4082 H2 TIP3 882 17.491 -20.433 -20.209 1.00 0.00 WAT1 ATOM 4083 OH2 TIP3 883 19.272 -18.695 -21.929 1.00 0.00 WAT1 ATOM 4084 H1 TIP3 883 18.758 -19.241 -22.570 1.00 0.00 WAT1 ATOM 4085 H2 TIP3 883 19.045 -17.769 -22.166 1.00 0.00 WAT1 ATOM 4086 OH2 TIP3 884 27.904 -16.856 -20.121 1.00 0.00 WAT1 ATOM 4087 H1 TIP3 884 27.114 -16.861 -19.545 1.00 0.00 WAT1 ATOM 4088 H2 TIP3 884 27.909 -17.753 -20.531 1.00 0.00 WAT1 ATOM 4089 OH2 TIP3 885 29.744 -13.926 -36.029 1.00 0.00 WAT1 ATOM 4090 H1 TIP3 885 29.087 -14.210 -35.357 1.00 0.00 WAT1 ATOM 4091 H2 TIP3 885 30.603 -13.934 -35.542 1.00 0.00 WAT1 ATOM 4092 OH2 TIP3 886 31.989 -13.935 -31.679 1.00 0.00 WAT1 ATOM 4093 H1 TIP3 886 31.117 -14.132 -31.278 1.00 0.00 WAT1 ATOM 4094 H2 TIP3 886 32.542 -14.708 -31.443 1.00 0.00 WAT1 ATOM 4095 OH2 TIP3 887 21.707 -19.080 -20.638 1.00 0.00 WAT1 ATOM 4096 H1 TIP3 887 21.370 -19.517 -19.837 1.00 0.00 WAT1 ATOM 4097 H2 TIP3 887 20.907 -18.938 -21.188 1.00 0.00 WAT1 ATOM 4098 OH2 TIP3 888 16.623 -27.679 -26.994 1.00 0.00 WAT1 ATOM 4099 H1 TIP3 888 16.274 -26.789 -26.778 1.00 0.00 WAT1 ATOM 4100 H2 TIP3 888 16.740 -28.108 -26.127 1.00 0.00 WAT1 ATOM 4101 OH2 TIP3 889 20.305 -29.182 -31.722 1.00 0.00 WAT1 ATOM 4102 H1 TIP3 889 19.859 -29.644 -30.977 1.00 0.00 WAT1 ATOM 4103 H2 TIP3 889 20.146 -28.236 -31.546 1.00 0.00 WAT1 ATOM 4104 OH2 TIP3 890 24.415 -22.311 -32.547 1.00 0.00 WAT1 ATOM 4105 H1 TIP3 890 24.579 -21.811 -31.715 1.00 0.00 WAT1 ATOM 4106 H2 TIP3 890 25.283 -22.282 -33.013 1.00 0.00 WAT1 ATOM 4107 OH2 TIP3 891 20.324 -20.114 -18.183 1.00 0.00 WAT1 ATOM 4108 H1 TIP3 891 20.144 -20.644 -17.376 1.00 0.00 WAT1 ATOM 4109 H2 TIP3 891 19.486 -20.157 -18.689 1.00 0.00 WAT1 ATOM 4110 OH2 TIP3 892 27.555 -21.660 -29.927 1.00 0.00 WAT1 ATOM 4111 H1 TIP3 892 27.877 -21.119 -30.669 1.00 0.00 WAT1 ATOM 4112 H2 TIP3 892 26.586 -21.525 -29.936 1.00 0.00 WAT1 ATOM 4113 OH2 TIP3 893 18.554 -18.442 -27.959 1.00 0.00 WAT1 ATOM 4114 H1 TIP3 893 18.454 -17.590 -27.499 1.00 0.00 WAT1 ATOM 4115 H2 TIP3 893 19.526 -18.570 -28.017 1.00 0.00 WAT1 ATOM 4116 OH2 TIP3 894 29.007 -17.449 -29.876 1.00 0.00 WAT1 ATOM 4117 H1 TIP3 894 28.791 -18.183 -29.263 1.00 0.00 WAT1 ATOM 4118 H2 TIP3 894 28.121 -17.090 -30.142 1.00 0.00 WAT1 ATOM 4119 OH2 TIP3 895 17.665 -20.447 -23.320 1.00 0.00 WAT1 ATOM 4120 H1 TIP3 895 17.997 -21.301 -23.668 1.00 0.00 WAT1 ATOM 4121 H2 TIP3 895 16.992 -20.167 -23.976 1.00 0.00 WAT1 ATOM 4122 OH2 TIP3 896 30.215 -15.236 -20.230 1.00 0.00 WAT1 ATOM 4123 H1 TIP3 896 30.910 -15.399 -19.569 1.00 0.00 WAT1 ATOM 4124 H2 TIP3 896 29.603 -15.992 -20.130 1.00 0.00 WAT1 ATOM 4125 OH2 TIP3 897 19.913 -22.861 -32.612 1.00 0.00 WAT1 ATOM 4126 H1 TIP3 897 19.470 -22.575 -33.442 1.00 0.00 WAT1 ATOM 4127 H2 TIP3 897 20.334 -23.710 -32.849 1.00 0.00 WAT1 ATOM 4128 OH2 TIP3 898 24.989 -20.685 -30.419 1.00 0.00 WAT1 ATOM 4129 H1 TIP3 898 25.488 -19.851 -30.599 1.00 0.00 WAT1 ATOM 4130 H2 TIP3 898 24.104 -20.373 -30.144 1.00 0.00 WAT1 ATOM 4131 OH2 TIP3 899 32.158 -16.751 -33.304 1.00 0.00 WAT1 ATOM 4132 H1 TIP3 899 32.343 -17.667 -33.595 1.00 0.00 WAT1 ATOM 4133 H2 TIP3 899 32.748 -16.620 -32.527 1.00 0.00 WAT1 ATOM 4134 OH2 TIP3 900 21.800 -28.092 -16.351 1.00 0.00 WAT1 ATOM 4135 H1 TIP3 900 21.500 -28.697 -17.074 1.00 0.00 WAT1 ATOM 4136 H2 TIP3 900 21.373 -27.251 -16.555 1.00 0.00 WAT1 ATOM 4137 OH2 TIP3 901 20.482 -19.274 -33.509 1.00 0.00 WAT1 ATOM 4138 H1 TIP3 901 20.529 -18.854 -34.381 1.00 0.00 WAT1 ATOM 4139 H2 TIP3 901 21.179 -19.953 -33.534 1.00 0.00 WAT1 ATOM 4140 OH2 TIP3 902 20.891 -26.972 -35.366 1.00 0.00 WAT1 ATOM 4141 H1 TIP3 902 21.463 -27.749 -35.361 1.00 0.00 WAT1 ATOM 4142 H2 TIP3 902 20.019 -27.319 -35.667 1.00 0.00 WAT1 ATOM 4143 OH2 TIP3 903 30.768 -14.974 -28.024 1.00 0.00 WAT1 ATOM 4144 H1 TIP3 903 31.058 -14.057 -27.813 1.00 0.00 WAT1 ATOM 4145 H2 TIP3 903 30.360 -14.891 -28.911 1.00 0.00 WAT1 ATOM 4146 OH2 TIP3 904 17.024 -27.377 -22.795 1.00 0.00 WAT1 ATOM 4147 H1 TIP3 904 16.571 -27.734 -22.006 1.00 0.00 WAT1 ATOM 4148 H2 TIP3 904 16.978 -28.106 -23.447 1.00 0.00 WAT1 ATOM 4149 OH2 TIP3 905 20.164 -12.266 -16.432 1.00 0.00 WAT1 ATOM 4150 H1 TIP3 905 20.654 -11.586 -15.916 1.00 0.00 WAT1 ATOM 4151 H2 TIP3 905 20.548 -12.204 -17.337 1.00 0.00 WAT1 ATOM 4152 OH2 TIP3 906 25.219 -16.569 -19.164 1.00 0.00 WAT1 ATOM 4153 H1 TIP3 906 25.004 -17.355 -19.718 1.00 0.00 WAT1 ATOM 4154 H2 TIP3 906 24.383 -16.386 -18.683 1.00 0.00 WAT1 ATOM 4155 OH2 TIP3 907 27.834 -15.253 -34.629 1.00 0.00 WAT1 ATOM 4156 H1 TIP3 907 27.806 -16.199 -34.896 1.00 0.00 WAT1 ATOM 4157 H2 TIP3 907 27.749 -15.277 -33.663 1.00 0.00 WAT1 ATOM 4158 OH2 TIP3 908 22.959 -22.296 -15.831 1.00 0.00 WAT1 ATOM 4159 H1 TIP3 908 23.167 -21.911 -16.688 1.00 0.00 WAT1 ATOM 4160 H2 TIP3 908 23.738 -22.855 -15.622 1.00 0.00 WAT1 ATOM 4161 OH2 TIP3 909 29.609 -17.678 -32.702 1.00 0.00 WAT1 ATOM 4162 H1 TIP3 909 29.397 -17.447 -31.775 1.00 0.00 WAT1 ATOM 4163 H2 TIP3 909 30.404 -17.140 -32.906 1.00 0.00 WAT1 ATOM 4164 OH2 TIP3 910 24.491 -27.941 -15.739 1.00 0.00 WAT1 ATOM 4165 H1 TIP3 910 24.870 -27.305 -16.390 1.00 0.00 WAT1 ATOM 4166 H2 TIP3 910 23.556 -28.038 -16.018 1.00 0.00 WAT1 ATOM 4167 OH2 TIP3 911 21.991 -21.580 -31.265 1.00 0.00 WAT1 ATOM 4168 H1 TIP3 911 21.155 -21.890 -31.670 1.00 0.00 WAT1 ATOM 4169 H2 TIP3 911 22.669 -22.152 -31.655 1.00 0.00 WAT1 ATOM 4170 OH2 TIP3 912 26.905 -21.871 -33.621 1.00 0.00 WAT1 ATOM 4171 H1 TIP3 912 27.080 -21.605 -34.551 1.00 0.00 WAT1 ATOM 4172 H2 TIP3 912 27.352 -21.181 -33.090 1.00 0.00 WAT1 ATOM 4173 OH2 TIP3 913 25.194 -23.817 -15.384 1.00 0.00 WAT1 ATOM 4174 H1 TIP3 913 25.873 -23.434 -14.819 1.00 0.00 WAT1 ATOM 4175 H2 TIP3 913 24.838 -24.576 -14.851 1.00 0.00 WAT1 ATOM 4176 OH2 TIP3 914 21.850 -29.992 -14.366 1.00 0.00 WAT1 ATOM 4177 H1 TIP3 914 22.371 -30.637 -14.897 1.00 0.00 WAT1 ATOM 4178 H2 TIP3 914 21.723 -29.233 -14.975 1.00 0.00 WAT1 ATOM 4179 OH2 TIP3 915 27.278 -32.418 -16.220 1.00 0.00 WAT1 ATOM 4180 H1 TIP3 915 26.777 -31.613 -15.961 1.00 0.00 WAT1 ATOM 4181 H2 TIP3 915 27.757 -32.153 -17.009 1.00 0.00 WAT1 ATOM 4182 OH2 TIP3 916 17.028 -20.686 -27.389 1.00 0.00 WAT1 ATOM 4183 H1 TIP3 916 16.617 -20.348 -26.571 1.00 0.00 WAT1 ATOM 4184 H2 TIP3 916 17.614 -19.957 -27.679 1.00 0.00 WAT1 ATOM 4185 OH2 TIP3 917 18.062 -23.780 -27.030 1.00 0.00 WAT1 ATOM 4186 H1 TIP3 917 18.138 -22.967 -26.504 1.00 0.00 WAT1 ATOM 4187 H2 TIP3 917 18.159 -24.495 -26.379 1.00 0.00 WAT1 ATOM 4188 OH2 TIP3 918 17.640 -25.375 -24.610 1.00 0.00 WAT1 ATOM 4189 H1 TIP3 918 16.799 -25.412 -25.108 1.00 0.00 WAT1 ATOM 4190 H2 TIP3 918 17.523 -26.037 -23.890 1.00 0.00 WAT1 ATOM 4191 OH2 TIP3 919 16.680 -28.795 -29.455 1.00 0.00 WAT1 ATOM 4192 H1 TIP3 919 16.671 -28.326 -28.586 1.00 0.00 WAT1 ATOM 4193 H2 TIP3 919 16.812 -28.081 -30.110 1.00 0.00 WAT1 ATOM 4194 OH2 TIP3 920 31.883 -14.229 -34.425 1.00 0.00 WAT1 ATOM 4195 H1 TIP3 920 31.979 -13.776 -33.566 1.00 0.00 WAT1 ATOM 4196 H2 TIP3 920 32.043 -15.170 -34.212 1.00 0.00 WAT1 ATOM 4197 OH2 TIP3 921 22.186 -30.760 -20.496 1.00 0.00 WAT1 ATOM 4198 H1 TIP3 921 21.824 -30.269 -21.242 1.00 0.00 WAT1 ATOM 4199 H2 TIP3 921 22.913 -31.299 -20.894 1.00 0.00 WAT1 ATOM 4200 OH2 TIP3 922 20.425 -17.557 -17.177 1.00 0.00 WAT1 ATOM 4201 H1 TIP3 922 20.548 -18.471 -17.517 1.00 0.00 WAT1 ATOM 4202 H2 TIP3 922 19.466 -17.397 -17.278 1.00 0.00 WAT1 ATOM 4203 OH2 TIP3 923 25.802 -12.256 -20.840 1.00 0.00 WAT1 ATOM 4204 H1 TIP3 923 26.704 -11.878 -20.803 1.00 0.00 WAT1 ATOM 4205 H2 TIP3 923 25.454 -11.962 -21.714 1.00 0.00 WAT1 ATOM 4206 OH2 TIP3 924 30.076 -13.783 -17.223 1.00 0.00 WAT1 ATOM 4207 H1 TIP3 924 29.997 -14.388 -16.483 1.00 0.00 WAT1 ATOM 4208 H2 TIP3 924 30.950 -13.990 -17.612 1.00 0.00 WAT1 ATOM 4209 OH2 TIP3 925 29.119 -15.859 -25.992 1.00 0.00 WAT1 ATOM 4210 H1 TIP3 925 29.726 -15.576 -26.709 1.00 0.00 WAT1 ATOM 4211 H2 TIP3 925 28.431 -16.380 -26.453 1.00 0.00 WAT1 ATOM 4212 OH2 TIP3 926 32.421 -14.580 -18.459 1.00 0.00 WAT1 ATOM 4213 H1 TIP3 926 33.365 -14.695 -18.310 1.00 0.00 WAT1 ATOM 4214 H2 TIP3 926 32.368 -13.848 -19.120 1.00 0.00 WAT1 ATOM 4215 OH2 TIP3 927 21.392 -33.709 -14.483 1.00 0.00 WAT1 ATOM 4216 H1 TIP3 927 20.934 -34.577 -14.574 1.00 0.00 WAT1 ATOM 4217 H2 TIP3 927 22.332 -33.913 -14.687 1.00 0.00 WAT1 ATOM 4218 OH2 TIP3 928 23.468 -31.574 -15.904 1.00 0.00 WAT1 ATOM 4219 H1 TIP3 928 24.328 -31.104 -15.864 1.00 0.00 WAT1 ATOM 4220 H2 TIP3 928 23.701 -32.513 -15.723 1.00 0.00 WAT1 ATOM 4221 OH2 TIP3 929 26.754 -24.023 -5.549 1.00 0.00 WAT1 ATOM 4222 H1 TIP3 929 27.434 -24.419 -6.103 1.00 0.00 WAT1 ATOM 4223 H2 TIP3 929 25.994 -24.644 -5.622 1.00 0.00 WAT1 ATOM 4224 OH2 TIP3 930 21.663 -22.387 -6.759 1.00 0.00 WAT1 ATOM 4225 H1 TIP3 930 21.294 -23.072 -6.140 1.00 0.00 WAT1 ATOM 4226 H2 TIP3 930 21.886 -22.894 -7.560 1.00 0.00 WAT1 ATOM 4227 OH2 TIP3 931 29.232 -21.476 -2.697 1.00 0.00 WAT1 ATOM 4228 H1 TIP3 931 28.561 -22.199 -2.692 1.00 0.00 WAT1 ATOM 4229 H2 TIP3 931 29.242 -21.175 -3.611 1.00 0.00 WAT1 ATOM 4230 OH2 TIP3 932 24.750 -25.770 -5.985 1.00 0.00 WAT1 ATOM 4231 H1 TIP3 932 24.995 -26.164 -5.117 1.00 0.00 WAT1 ATOM 4232 H2 TIP3 932 23.765 -25.861 -6.020 1.00 0.00 WAT1 ATOM 4233 OH2 TIP3 933 24.872 -22.432 -3.924 1.00 0.00 WAT1 ATOM 4234 H1 TIP3 933 25.202 -22.808 -4.754 1.00 0.00 WAT1 ATOM 4235 H2 TIP3 933 25.663 -22.395 -3.352 1.00 0.00 WAT1 ATOM 4236 OH2 TIP3 934 28.101 -18.724 0.174 1.00 0.00 WAT1 ATOM 4237 H1 TIP3 934 28.866 -18.826 -0.443 1.00 0.00 WAT1 ATOM 4238 H2 TIP3 934 28.300 -17.919 0.665 1.00 0.00 WAT1 ATOM 4239 OH2 TIP3 935 18.712 -21.118 -13.041 1.00 0.00 WAT1 ATOM 4240 H1 TIP3 935 19.221 -20.436 -12.557 1.00 0.00 WAT1 ATOM 4241 H2 TIP3 935 18.794 -21.918 -12.480 1.00 0.00 WAT1 ATOM 4242 OH2 TIP3 936 25.796 -36.433 -7.688 1.00 0.00 WAT1 ATOM 4243 H1 TIP3 936 25.639 -37.127 -8.358 1.00 0.00 WAT1 ATOM 4244 H2 TIP3 936 25.675 -36.899 -6.838 1.00 0.00 WAT1 ATOM 4245 OH2 TIP3 937 19.225 -24.639 -8.779 1.00 0.00 WAT1 ATOM 4246 H1 TIP3 937 18.933 -25.299 -8.115 1.00 0.00 WAT1 ATOM 4247 H2 TIP3 937 20.202 -24.603 -8.665 1.00 0.00 WAT1 ATOM 4248 OH2 TIP3 938 30.240 -19.341 -1.346 1.00 0.00 WAT1 ATOM 4249 H1 TIP3 938 29.942 -20.135 -1.841 1.00 0.00 WAT1 ATOM 4250 H2 TIP3 938 31.192 -19.323 -1.478 1.00 0.00 WAT1 ATOM 4251 OH2 TIP3 939 25.527 -16.177 -0.334 1.00 0.00 WAT1 ATOM 4252 H1 TIP3 939 25.575 -17.109 -0.061 1.00 0.00 WAT1 ATOM 4253 H2 TIP3 939 25.226 -16.217 -1.261 1.00 0.00 WAT1 ATOM 4254 OH2 TIP3 940 22.979 -17.798 -0.446 1.00 0.00 WAT1 ATOM 4255 H1 TIP3 940 23.215 -17.219 -1.205 1.00 0.00 WAT1 ATOM 4256 H2 TIP3 940 23.789 -18.341 -0.302 1.00 0.00 WAT1 ATOM 4257 OH2 TIP3 941 19.178 -23.390 -11.337 1.00 0.00 WAT1 ATOM 4258 H1 TIP3 941 19.908 -23.903 -11.720 1.00 0.00 WAT1 ATOM 4259 H2 TIP3 941 19.105 -23.728 -10.421 1.00 0.00 WAT1 ATOM 4260 OH2 TIP3 942 22.286 -21.405 -4.190 1.00 0.00 WAT1 ATOM 4261 H1 TIP3 942 23.216 -21.672 -4.021 1.00 0.00 WAT1 ATOM 4262 H2 TIP3 942 22.088 -21.787 -5.070 1.00 0.00 WAT1 ATOM 4263 OH2 TIP3 943 20.529 -19.267 -4.964 1.00 0.00 WAT1 ATOM 4264 H1 TIP3 943 20.965 -20.002 -4.491 1.00 0.00 WAT1 ATOM 4265 H2 TIP3 943 20.368 -19.626 -5.862 1.00 0.00 WAT1 ATOM 4266 OH2 TIP3 944 17.313 -19.761 -2.507 1.00 0.00 WAT1 ATOM 4267 H1 TIP3 944 17.452 -20.296 -3.304 1.00 0.00 WAT1 ATOM 4268 H2 TIP3 944 18.194 -19.687 -2.116 1.00 0.00 WAT1 ATOM 4269 OH2 TIP3 945 29.956 -31.375 0.931 1.00 0.00 WAT1 ATOM 4270 H1 TIP3 945 29.546 -31.395 0.051 1.00 0.00 WAT1 ATOM 4271 H2 TIP3 945 29.458 -32.045 1.440 1.00 0.00 WAT1 ATOM 4272 OH2 TIP3 946 22.137 -28.637 -5.882 1.00 0.00 WAT1 ATOM 4273 H1 TIP3 946 21.246 -28.812 -5.556 1.00 0.00 WAT1 ATOM 4274 H2 TIP3 946 22.171 -27.652 -5.971 1.00 0.00 WAT1 ATOM 4275 OH2 TIP3 947 26.722 -25.412 -1.121 1.00 0.00 WAT1 ATOM 4276 H1 TIP3 947 27.288 -25.564 -0.346 1.00 0.00 WAT1 ATOM 4277 H2 TIP3 947 25.825 -25.665 -0.812 1.00 0.00 WAT1 ATOM 4278 OH2 TIP3 948 25.855 -30.269 -15.354 1.00 0.00 WAT1 ATOM 4279 H1 TIP3 948 26.057 -30.385 -14.400 1.00 0.00 WAT1 ATOM 4280 H2 TIP3 948 25.482 -29.358 -15.412 1.00 0.00 WAT1 ATOM 4281 OH2 TIP3 949 27.313 -23.364 -2.898 1.00 0.00 WAT1 ATOM 4282 H1 TIP3 949 27.184 -23.778 -3.777 1.00 0.00 WAT1 ATOM 4283 H2 TIP3 949 27.139 -24.093 -2.260 1.00 0.00 WAT1 ATOM 4284 OH2 TIP3 950 24.650 -24.353 -8.310 1.00 0.00 WAT1 ATOM 4285 H1 TIP3 950 24.760 -24.943 -7.531 1.00 0.00 WAT1 ATOM 4286 H2 TIP3 950 25.423 -23.784 -8.286 1.00 0.00 WAT1 ATOM 4287 OH2 TIP3 951 22.715 -26.708 -11.878 1.00 0.00 WAT1 ATOM 4288 H1 TIP3 951 22.832 -26.272 -11.023 1.00 0.00 WAT1 ATOM 4289 H2 TIP3 951 21.892 -26.307 -12.241 1.00 0.00 WAT1 ATOM 4290 OH2 TIP3 952 24.357 -25.895 -13.929 1.00 0.00 WAT1 ATOM 4291 H1 TIP3 952 23.804 -26.153 -13.166 1.00 0.00 WAT1 ATOM 4292 H2 TIP3 952 24.444 -26.720 -14.453 1.00 0.00 WAT1 ATOM 4293 OH2 TIP3 953 25.757 -26.409 -3.547 1.00 0.00 WAT1 ATOM 4294 H1 TIP3 953 26.430 -27.111 -3.721 1.00 0.00 WAT1 ATOM 4295 H2 TIP3 953 26.075 -25.973 -2.734 1.00 0.00 WAT1 ATOM 4296 OH2 TIP3 954 23.682 -30.462 -4.440 1.00 0.00 WAT1 ATOM 4297 H1 TIP3 954 23.881 -29.824 -3.717 1.00 0.00 WAT1 ATOM 4298 H2 TIP3 954 23.199 -29.928 -5.098 1.00 0.00 WAT1 ATOM 4299 OH2 TIP3 955 28.106 -21.536 0.032 1.00 0.00 WAT1 ATOM 4300 H1 TIP3 955 28.645 -21.640 -0.768 1.00 0.00 WAT1 ATOM 4301 H2 TIP3 955 28.151 -20.580 0.229 1.00 0.00 WAT1 ATOM 4302 OH2 TIP3 956 25.429 -21.725 0.373 1.00 0.00 WAT1 ATOM 4303 H1 TIP3 956 25.001 -22.319 -0.288 1.00 0.00 WAT1 ATOM 4304 H2 TIP3 956 26.396 -21.825 0.197 1.00 0.00 WAT1 ATOM 4305 OH2 TIP3 957 20.633 -19.996 -7.624 1.00 0.00 WAT1 ATOM 4306 H1 TIP3 957 21.076 -20.826 -7.330 1.00 0.00 WAT1 ATOM 4307 H2 TIP3 957 20.311 -20.203 -8.509 1.00 0.00 WAT1 ATOM 4308 OH2 TIP3 958 20.850 -23.900 -15.103 1.00 0.00 WAT1 ATOM 4309 H1 TIP3 958 20.205 -23.227 -15.378 1.00 0.00 WAT1 ATOM 4310 H2 TIP3 958 21.716 -23.488 -15.302 1.00 0.00 WAT1 ATOM 4311 OH2 TIP3 959 21.932 -24.672 -8.368 1.00 0.00 WAT1 ATOM 4312 H1 TIP3 959 22.895 -24.555 -8.522 1.00 0.00 WAT1 ATOM 4313 H2 TIP3 959 21.886 -25.161 -7.506 1.00 0.00 WAT1 ATOM 4314 OH2 TIP3 960 22.389 -17.258 -4.673 1.00 0.00 WAT1 ATOM 4315 H1 TIP3 960 22.366 -17.023 -5.614 1.00 0.00 WAT1 ATOM 4316 H2 TIP3 960 21.865 -18.086 -4.622 1.00 0.00 WAT1 ATOM 4317 OH2 TIP3 961 27.727 -19.163 -21.564 1.00 0.00 WAT1 ATOM 4318 H1 TIP3 961 26.860 -19.585 -21.642 1.00 0.00 WAT1 ATOM 4319 H2 TIP3 961 27.960 -18.926 -22.479 1.00 0.00 WAT1 ATOM 4320 OH2 TIP3 962 21.850 -19.089 -14.168 1.00 0.00 WAT1 ATOM 4321 H1 TIP3 962 21.779 -18.123 -14.333 1.00 0.00 WAT1 ATOM 4322 H2 TIP3 962 22.683 -19.339 -14.581 1.00 0.00 WAT1 ATOM 4323 OH2 TIP3 963 27.725 -31.185 -3.664 1.00 0.00 WAT1 ATOM 4324 H1 TIP3 963 28.347 -31.813 -4.047 1.00 0.00 WAT1 ATOM 4325 H2 TIP3 963 27.852 -31.281 -2.691 1.00 0.00 WAT1 ATOM 4326 OH2 TIP3 964 25.399 -25.870 -17.271 1.00 0.00 WAT1 ATOM 4327 H1 TIP3 964 26.033 -25.609 -17.943 1.00 0.00 WAT1 ATOM 4328 H2 TIP3 964 25.302 -25.075 -16.710 1.00 0.00 WAT1 ATOM 4329 OH2 TIP3 965 27.587 -28.387 -3.826 1.00 0.00 WAT1 ATOM 4330 H1 TIP3 965 27.463 -29.353 -3.942 1.00 0.00 WAT1 ATOM 4331 H2 TIP3 965 28.504 -28.298 -3.556 1.00 0.00 WAT1 ATOM 4332 OH2 TIP3 966 23.811 -29.349 -12.489 1.00 0.00 WAT1 ATOM 4333 H1 TIP3 966 23.597 -28.429 -12.248 1.00 0.00 WAT1 ATOM 4334 H2 TIP3 966 23.209 -29.546 -13.232 1.00 0.00 WAT1 ATOM 4335 OH2 TIP3 967 20.434 -25.432 -12.898 1.00 0.00 WAT1 ATOM 4336 H1 TIP3 967 19.472 -25.457 -12.965 1.00 0.00 WAT1 ATOM 4337 H2 TIP3 967 20.716 -24.931 -13.701 1.00 0.00 WAT1 ATOM 4338 OH2 TIP3 968 17.588 -18.296 -11.414 1.00 0.00 WAT1 ATOM 4339 H1 TIP3 968 17.260 -18.228 -12.317 1.00 0.00 WAT1 ATOM 4340 H2 TIP3 968 18.518 -18.586 -11.518 1.00 0.00 WAT1 ATOM 4341 OH2 TIP3 969 23.108 -16.973 2.268 1.00 0.00 WAT1 ATOM 4342 H1 TIP3 969 23.374 -17.856 2.614 1.00 0.00 WAT1 ATOM 4343 H2 TIP3 969 23.009 -17.120 1.304 1.00 0.00 WAT1 ATOM 4344 OH2 TIP3 970 28.133 -11.871 -17.598 1.00 0.00 WAT1 ATOM 4345 H1 TIP3 970 27.670 -12.512 -18.156 1.00 0.00 WAT1 ATOM 4346 H2 TIP3 970 28.937 -12.347 -17.310 1.00 0.00 WAT1 ATOM 4347 OH2 TIP3 971 25.380 -19.014 -0.013 1.00 0.00 WAT1 ATOM 4348 H1 TIP3 971 26.359 -18.922 -0.016 1.00 0.00 WAT1 ATOM 4349 H2 TIP3 971 25.235 -19.976 0.118 1.00 0.00 WAT1 ATOM 4350 OH2 TIP3 972 24.046 -23.242 -1.378 1.00 0.00 WAT1 ATOM 4351 H1 TIP3 972 24.127 -23.078 -2.336 1.00 0.00 WAT1 ATOM 4352 H2 TIP3 972 23.125 -23.547 -1.264 1.00 0.00 WAT1 ATOM 4353 OH2 TIP3 973 27.177 -26.295 1.849 1.00 0.00 WAT1 ATOM 4354 H1 TIP3 973 27.671 -26.844 2.492 1.00 0.00 WAT1 ATOM 4355 H2 TIP3 973 26.315 -26.718 1.792 1.00 0.00 WAT1 ATOM 4356 OH2 TIP3 974 27.508 -29.354 0.731 1.00 0.00 WAT1 ATOM 4357 H1 TIP3 974 27.493 -29.833 1.586 1.00 0.00 WAT1 ATOM 4358 H2 TIP3 974 28.150 -28.645 0.869 1.00 0.00 WAT1 ATOM 4359 OH2 TIP3 975 23.416 -35.583 1.213 1.00 0.00 WAT1 ATOM 4360 H1 TIP3 975 23.785 -36.454 1.024 1.00 0.00 WAT1 ATOM 4361 H2 TIP3 975 23.671 -35.043 0.434 1.00 0.00 WAT1 ATOM 4362 OH2 TIP3 976 24.802 -31.525 3.801 1.00 0.00 WAT1 ATOM 4363 H1 TIP3 976 24.139 -31.831 4.458 1.00 0.00 WAT1 ATOM 4364 H2 TIP3 976 24.277 -31.383 2.980 1.00 0.00 WAT1 ATOM 4365 OH2 TIP3 977 27.874 -13.836 -19.619 1.00 0.00 WAT1 ATOM 4366 H1 TIP3 977 28.685 -14.347 -19.437 1.00 0.00 WAT1 ATOM 4367 H2 TIP3 977 28.189 -13.083 -20.165 1.00 0.00 WAT1 ATOM 4368 OH2 TIP3 978 19.891 -21.250 -15.604 1.00 0.00 WAT1 ATOM 4369 H1 TIP3 978 19.325 -21.196 -14.806 1.00 0.00 WAT1 ATOM 4370 H2 TIP3 978 20.759 -20.942 -15.298 1.00 0.00 WAT1 ATOM 4371 OH2 TIP3 979 19.674 -14.691 -10.564 1.00 0.00 WAT1 ATOM 4372 H1 TIP3 979 20.420 -14.773 -11.189 1.00 0.00 WAT1 ATOM 4373 H2 TIP3 979 20.095 -14.695 -9.686 1.00 0.00 WAT1 ATOM 4374 OH2 TIP3 980 20.696 -17.168 -7.007 1.00 0.00 WAT1 ATOM 4375 H1 TIP3 980 20.314 -17.514 -6.185 1.00 0.00 WAT1 ATOM 4376 H2 TIP3 980 20.773 -17.955 -7.579 1.00 0.00 WAT1 ATOM 4377 OH2 TIP3 981 20.579 -19.016 -0.845 1.00 0.00 WAT1 ATOM 4378 H1 TIP3 981 20.445 -19.331 0.071 1.00 0.00 WAT1 ATOM 4379 H2 TIP3 981 21.458 -18.574 -0.819 1.00 0.00 WAT1 ATOM 4380 OH2 TIP3 982 23.753 -16.222 -2.565 1.00 0.00 WAT1 ATOM 4381 H1 TIP3 982 23.430 -15.303 -2.636 1.00 0.00 WAT1 ATOM 4382 H2 TIP3 982 23.411 -16.660 -3.378 1.00 0.00 WAT1 ATOM 4383 OH2 TIP3 983 20.203 -15.671 -3.893 1.00 0.00 WAT1 ATOM 4384 H1 TIP3 983 20.880 -16.366 -3.978 1.00 0.00 WAT1 ATOM 4385 H2 TIP3 983 20.552 -14.936 -4.435 1.00 0.00 WAT1 ATOM 4386 OH2 TIP3 984 22.701 -13.560 -2.496 1.00 0.00 WAT1 ATOM 4387 H1 TIP3 984 23.047 -13.784 -1.596 1.00 0.00 WAT1 ATOM 4388 H2 TIP3 984 22.651 -12.598 -2.494 1.00 0.00 WAT1 ATOM 4389 OH2 TIP3 985 20.368 -14.544 -7.812 1.00 0.00 WAT1 ATOM 4390 H1 TIP3 985 20.734 -14.134 -7.013 1.00 0.00 WAT1 ATOM 4391 H2 TIP3 985 20.434 -15.509 -7.634 1.00 0.00 WAT1 ATOM 4392 OH2 TIP3 986 25.149 -31.364 -8.172 1.00 0.00 WAT1 ATOM 4393 H1 TIP3 986 25.116 -32.343 -8.322 1.00 0.00 WAT1 ATOM 4394 H2 TIP3 986 25.762 -31.260 -7.436 1.00 0.00 WAT1 ATOM 4395 OH2 TIP3 987 22.747 -30.067 -8.092 1.00 0.00 WAT1 ATOM 4396 H1 TIP3 987 23.663 -30.414 -8.080 1.00 0.00 WAT1 ATOM 4397 H2 TIP3 987 22.718 -29.437 -7.343 1.00 0.00 WAT1 ATOM 4398 OH2 TIP3 988 26.540 -31.126 -12.809 1.00 0.00 WAT1 ATOM 4399 H1 TIP3 988 27.276 -30.745 -12.320 1.00 0.00 WAT1 ATOM 4400 H2 TIP3 988 25.814 -31.184 -12.146 1.00 0.00 WAT1 ATOM 4401 OH2 TIP3 989 21.543 -16.437 -14.872 1.00 0.00 WAT1 ATOM 4402 H1 TIP3 989 21.841 -15.593 -15.280 1.00 0.00 WAT1 ATOM 4403 H2 TIP3 989 21.007 -16.861 -15.575 1.00 0.00 WAT1 ATOM 4404 OH2 TIP3 990 17.711 -26.710 4.956 1.00 0.00 WAT1 ATOM 4405 H1 TIP3 990 16.968 -27.293 4.676 1.00 0.00 WAT1 ATOM 4406 H2 TIP3 990 17.425 -26.367 5.822 1.00 0.00 WAT1 ATOM 4407 OH2 TIP3 991 20.193 -24.294 6.153 1.00 0.00 WAT1 ATOM 4408 H1 TIP3 991 20.577 -25.149 6.433 1.00 0.00 WAT1 ATOM 4409 H2 TIP3 991 20.352 -23.707 6.913 1.00 0.00 WAT1 ATOM 4410 OH2 TIP3 992 21.178 -18.197 6.094 1.00 0.00 WAT1 ATOM 4411 H1 TIP3 992 22.000 -18.736 6.084 1.00 0.00 WAT1 ATOM 4412 H2 TIP3 992 21.385 -17.432 5.509 1.00 0.00 WAT1 ATOM 4413 OH2 TIP3 993 28.322 -28.255 3.518 1.00 0.00 WAT1 ATOM 4414 H1 TIP3 993 28.016 -29.188 3.562 1.00 0.00 WAT1 ATOM 4415 H2 TIP3 993 29.228 -28.323 3.134 1.00 0.00 WAT1 ATOM 4416 OH2 TIP3 994 23.352 -24.299 8.489 1.00 0.00 WAT1 ATOM 4417 H1 TIP3 994 22.522 -23.772 8.508 1.00 0.00 WAT1 ATOM 4418 H2 TIP3 994 23.855 -23.973 9.243 1.00 0.00 WAT1 ATOM 4419 OH2 TIP3 995 24.748 -24.806 6.078 1.00 0.00 WAT1 ATOM 4420 H1 TIP3 995 24.466 -24.765 7.015 1.00 0.00 WAT1 ATOM 4421 H2 TIP3 995 25.439 -25.490 6.063 1.00 0.00 WAT1 ATOM 4422 OH2 TIP3 996 27.326 -30.774 3.112 1.00 0.00 WAT1 ATOM 4423 H1 TIP3 996 27.756 -31.617 2.844 1.00 0.00 WAT1 ATOM 4424 H2 TIP3 996 26.427 -31.045 3.396 1.00 0.00 WAT1 ATOM 4425 OH2 TIP3 997 20.765 -23.255 8.747 1.00 0.00 WAT1 ATOM 4426 H1 TIP3 997 19.982 -22.667 8.628 1.00 0.00 WAT1 ATOM 4427 H2 TIP3 997 20.498 -23.861 9.447 1.00 0.00 WAT1 ATOM 4428 OH2 TIP3 998 21.859 -28.167 3.453 1.00 0.00 WAT1 ATOM 4429 H1 TIP3 998 22.127 -27.332 3.898 1.00 0.00 WAT1 ATOM 4430 H2 TIP3 998 22.547 -28.803 3.724 1.00 0.00 WAT1 ATOM 4431 OH2 TIP3 999 22.614 -25.983 4.833 1.00 0.00 WAT1 ATOM 4432 H1 TIP3 999 23.464 -25.560 5.077 1.00 0.00 WAT1 ATOM 4433 H2 TIP3 999 22.206 -26.207 5.697 1.00 0.00 WAT1 ATOM 4434 OH2 TIP3 1000 21.782 -26.277 7.362 1.00 0.00 WAT1 ATOM 4435 H1 TIP3 1000 22.357 -25.703 7.909 1.00 0.00 WAT1 ATOM 4436 H2 TIP3 1000 22.177 -27.175 7.459 1.00 0.00 WAT1 ATOM 4437 OH2 TIP3 1001 26.415 -27.455 5.365 1.00 0.00 WAT1 ATOM 4438 H1 TIP3 1001 26.786 -27.763 6.200 1.00 0.00 WAT1 ATOM 4439 H2 TIP3 1001 27.151 -27.561 4.723 1.00 0.00 WAT1 ATOM 4440 OH2 TIP3 1002 23.278 -28.570 7.154 1.00 0.00 WAT1 ATOM 4441 H1 TIP3 1002 23.878 -29.204 7.598 1.00 0.00 WAT1 ATOM 4442 H2 TIP3 1002 23.495 -28.664 6.206 1.00 0.00 WAT1 ATOM 4443 OH2 TIP3 1003 24.069 -22.161 5.427 1.00 0.00 WAT1 ATOM 4444 H1 TIP3 1003 24.564 -22.041 4.588 1.00 0.00 WAT1 ATOM 4445 H2 TIP3 1003 24.293 -23.072 5.705 1.00 0.00 WAT1 ATOM 4446 OH2 TIP3 1004 23.602 -19.519 3.269 1.00 0.00 WAT1 ATOM 4447 H1 TIP3 1004 24.312 -20.176 3.123 1.00 0.00 WAT1 ATOM 4448 H2 TIP3 1004 23.533 -19.456 4.243 1.00 0.00 WAT1 ATOM 4449 OH2 TIP3 1005 23.546 -19.593 6.058 1.00 0.00 WAT1 ATOM 4450 H1 TIP3 1005 23.660 -20.569 5.946 1.00 0.00 WAT1 ATOM 4451 H2 TIP3 1005 24.272 -19.338 6.640 1.00 0.00 WAT1 ATOM 4452 OH2 TIP3 1006 24.228 -28.945 4.599 1.00 0.00 WAT1 ATOM 4453 H1 TIP3 1006 24.990 -28.357 4.797 1.00 0.00 WAT1 ATOM 4454 H2 TIP3 1006 24.638 -29.796 4.355 1.00 0.00 WAT1 ATOM 4455 OH2 TIP3 1007 18.248 -22.291 8.264 1.00 0.00 WAT1 ATOM 4456 H1 TIP3 1007 17.468 -22.380 8.864 1.00 0.00 WAT1 ATOM 4457 H2 TIP3 1007 17.926 -22.633 7.403 1.00 0.00 WAT1 ATOM 4458 OH2 TIP3 1008 25.383 -21.732 3.077 1.00 0.00 WAT1 ATOM 4459 H1 TIP3 1008 26.133 -22.357 3.213 1.00 0.00 WAT1 ATOM 4460 H2 TIP3 1008 25.348 -21.622 2.099 1.00 0.00 WAT1 ATOM 4461 OH2 TIP3 1009 27.353 -23.584 2.649 1.00 0.00 WAT1 ATOM 4462 H1 TIP3 1009 27.983 -23.173 2.041 1.00 0.00 WAT1 ATOM 4463 H2 TIP3 1009 27.369 -24.531 2.407 1.00 0.00 WAT1 ATOM 4464 OH2 TIP3 1010 19.980 -19.814 1.719 1.00 0.00 WAT1 ATOM 4465 H1 TIP3 1010 19.395 -19.062 1.929 1.00 0.00 WAT1 ATOM 4466 H2 TIP3 1010 19.383 -20.581 1.698 1.00 0.00 WAT1 ATOM 4467 OH2 TIP3 1011 20.951 -13.967 7.884 1.00 0.00 WAT1 ATOM 4468 H1 TIP3 1011 20.028 -13.685 7.920 1.00 0.00 WAT1 ATOM 4469 H2 TIP3 1011 20.919 -14.919 8.106 1.00 0.00 WAT1 ATOM 4470 OH2 TIP3 1012 18.905 -29.650 3.200 1.00 0.00 WAT1 ATOM 4471 H1 TIP3 1012 19.008 -29.101 3.988 1.00 0.00 WAT1 ATOM 4472 H2 TIP3 1012 19.396 -30.475 3.416 1.00 0.00 WAT1 ATOM 4473 OH2 TIP3 1013 19.820 -32.193 3.715 1.00 0.00 WAT1 ATOM 4474 H1 TIP3 1013 19.697 -32.968 3.124 1.00 0.00 WAT1 ATOM 4475 H2 TIP3 1013 20.289 -32.562 4.492 1.00 0.00 WAT1 ATOM 4476 OH2 TIP3 1014 22.673 -12.229 6.707 1.00 0.00 WAT1 ATOM 4477 H1 TIP3 1014 23.443 -12.193 7.288 1.00 0.00 WAT1 ATOM 4478 H2 TIP3 1014 22.057 -12.857 7.161 1.00 0.00 WAT1 ATOM 4479 OH2 TIP3 1015 27.073 -35.116 6.027 1.00 0.00 WAT1 ATOM 4480 H1 TIP3 1015 27.056 -35.919 6.561 1.00 0.00 WAT1 ATOM 4481 H2 TIP3 1015 27.711 -35.305 5.330 1.00 0.00 WAT1 ATOM 4482 OH2 TIP3 1016 21.614 -16.068 4.414 1.00 0.00 WAT1 ATOM 4483 H1 TIP3 1016 21.758 -15.105 4.511 1.00 0.00 WAT1 ATOM 4484 H2 TIP3 1016 22.181 -16.321 3.652 1.00 0.00 WAT1 ATOM 4485 OH2 TIP3 1017 24.800 -13.282 -45.144 1.00 0.00 WAT1 ATOM 4486 H1 TIP3 1017 24.855 -14.210 -45.390 1.00 0.00 WAT1 ATOM 4487 H2 TIP3 1017 23.884 -13.023 -45.385 1.00 0.00 WAT1 ATOM 4488 OH2 TIP3 1018 23.289 -10.444 -44.343 1.00 0.00 WAT1 ATOM 4489 H1 TIP3 1018 22.854 -10.755 -43.524 1.00 0.00 WAT1 ATOM 4490 H2 TIP3 1018 23.006 -11.085 -45.017 1.00 0.00 WAT1 ATOM 4491 OH2 TIP3 1019 26.204 -9.548 -42.092 1.00 0.00 WAT1 ATOM 4492 H1 TIP3 1019 25.784 -8.970 -42.772 1.00 0.00 WAT1 ATOM 4493 H2 TIP3 1019 25.462 -9.850 -41.549 1.00 0.00 WAT1 ATOM 4494 OH2 TIP3 1020 24.717 -8.194 -43.947 1.00 0.00 WAT1 ATOM 4495 H1 TIP3 1020 24.436 -7.577 -44.626 1.00 0.00 WAT1 ATOM 4496 H2 TIP3 1020 24.201 -9.015 -44.137 1.00 0.00 WAT1 ATOM 4497 OH2 TIP3 1021 29.318 -14.267 -42.290 1.00 0.00 WAT1 ATOM 4498 H1 TIP3 1021 29.894 -14.984 -41.969 1.00 0.00 WAT1 ATOM 4499 H2 TIP3 1021 29.579 -13.491 -41.753 1.00 0.00 WAT1 ATOM 4500 OH2 TIP3 1022 25.714 -12.281 -42.808 1.00 0.00 WAT1 ATOM 4501 H1 TIP3 1022 25.352 -12.513 -43.699 1.00 0.00 WAT1 ATOM 4502 H2 TIP3 1022 26.120 -11.405 -42.937 1.00 0.00 WAT1 ATOM 4503 OH2 TIP3 1023 28.494 -13.138 -38.322 1.00 0.00 WAT1 ATOM 4504 H1 TIP3 1023 29.032 -13.120 -37.499 1.00 0.00 WAT1 ATOM 4505 H2 TIP3 1023 28.358 -14.091 -38.494 1.00 0.00 WAT1 ATOM 4506 OH2 TIP3 1024 18.508 -14.488 -45.871 1.00 0.00 WAT1 ATOM 4507 H1 TIP3 1024 18.269 -13.956 -46.669 1.00 0.00 WAT1 ATOM 4508 H2 TIP3 1024 17.660 -14.851 -45.567 1.00 0.00 WAT1 ATOM 4509 OH2 TIP3 1025 28.723 -9.873 -40.991 1.00 0.00 WAT1 ATOM 4510 H1 TIP3 1025 27.845 -9.852 -41.431 1.00 0.00 WAT1 ATOM 4511 H2 TIP3 1025 28.948 -8.949 -40.872 1.00 0.00 WAT1 ATOM 4512 OH2 TIP3 1026 24.537 -11.762 -40.425 1.00 0.00 WAT1 ATOM 4513 H1 TIP3 1026 24.961 -12.073 -41.259 1.00 0.00 WAT1 ATOM 4514 H2 TIP3 1026 25.116 -12.119 -39.714 1.00 0.00 WAT1 ATOM 4515 OH2 TIP3 1027 22.530 -14.322 -42.683 1.00 0.00 WAT1 ATOM 4516 H1 TIP3 1027 21.859 -14.568 -43.355 1.00 0.00 WAT1 ATOM 4517 H2 TIP3 1027 23.248 -14.966 -42.817 1.00 0.00 WAT1 ATOM 4518 OH2 TIP3 1028 23.027 -11.439 -38.150 1.00 0.00 WAT1 ATOM 4519 H1 TIP3 1028 23.593 -10.791 -37.713 1.00 0.00 WAT1 ATOM 4520 H2 TIP3 1028 23.447 -11.565 -39.031 1.00 0.00 WAT1 ATOM 4521 OH2 TIP3 1029 25.831 -12.580 -38.099 1.00 0.00 WAT1 ATOM 4522 H1 TIP3 1029 26.799 -12.630 -38.255 1.00 0.00 WAT1 ATOM 4523 H2 TIP3 1029 25.713 -12.973 -37.218 1.00 0.00 WAT1 ATOM 4524 OH2 TIP3 1030 29.468 -8.495 -30.471 1.00 0.00 WAT1 ATOM 4525 H1 TIP3 1030 29.850 -7.726 -30.961 1.00 0.00 WAT1 ATOM 4526 H2 TIP3 1030 28.542 -8.222 -30.285 1.00 0.00 WAT1 ATOM 4527 OH2 TIP3 1031 23.030 -13.813 -36.700 1.00 0.00 WAT1 ATOM 4528 H1 TIP3 1031 23.881 -13.799 -36.212 1.00 0.00 WAT1 ATOM 4529 H2 TIP3 1031 23.052 -12.994 -37.237 1.00 0.00 WAT1 ATOM 4530 OH2 TIP3 1032 25.531 -13.833 -35.452 1.00 0.00 WAT1 ATOM 4531 H1 TIP3 1032 25.529 -13.401 -34.571 1.00 0.00 WAT1 ATOM 4532 H2 TIP3 1032 26.345 -14.374 -35.445 1.00 0.00 WAT1 ATOM 4533 OH2 TIP3 1033 25.797 -13.071 -32.748 1.00 0.00 WAT1 ATOM 4534 H1 TIP3 1033 25.402 -12.307 -32.274 1.00 0.00 WAT1 ATOM 4535 H2 TIP3 1033 25.237 -13.832 -32.482 1.00 0.00 WAT1 ATOM 4536 OH2 TIP3 1034 20.591 -12.604 -38.175 1.00 0.00 WAT1 ATOM 4537 H1 TIP3 1034 21.369 -12.008 -38.259 1.00 0.00 WAT1 ATOM 4538 H2 TIP3 1034 20.906 -13.322 -37.615 1.00 0.00 WAT1 ATOM 4539 OH2 TIP3 1035 22.246 -11.674 -42.090 1.00 0.00 WAT1 ATOM 4540 H1 TIP3 1035 22.305 -12.633 -42.320 1.00 0.00 WAT1 ATOM 4541 H2 TIP3 1035 22.943 -11.551 -41.419 1.00 0.00 WAT1 ATOM 4542 OH2 TIP3 1036 19.546 -11.159 -42.629 1.00 0.00 WAT1 ATOM 4543 H1 TIP3 1036 19.216 -11.194 -41.707 1.00 0.00 WAT1 ATOM 4544 H2 TIP3 1036 20.514 -11.289 -42.538 1.00 0.00 WAT1 ATOM 4545 OH2 TIP3 1037 17.564 -13.026 -47.926 1.00 0.00 WAT1 ATOM 4546 H1 TIP3 1037 17.398 -12.161 -47.499 1.00 0.00 WAT1 ATOM 4547 H2 TIP3 1037 16.846 -13.118 -48.576 1.00 0.00 WAT1 ATOM 4548 OH2 TIP3 1038 20.861 -15.031 -44.690 1.00 0.00 WAT1 ATOM 4549 H1 TIP3 1038 19.980 -14.698 -44.993 1.00 0.00 WAT1 ATOM 4550 H2 TIP3 1038 20.749 -15.991 -44.653 1.00 0.00 WAT1 ATOM 4551 OH2 TIP3 1039 26.747 -14.821 -42.868 1.00 0.00 WAT1 ATOM 4552 H1 TIP3 1039 27.705 -14.595 -42.787 1.00 0.00 WAT1 ATOM 4553 H2 TIP3 1039 26.297 -13.950 -42.813 1.00 0.00 WAT1 ATOM 4554 OH2 TIP3 1040 29.507 -18.002 -38.921 1.00 0.00 WAT1 ATOM 4555 H1 TIP3 1040 29.132 -17.156 -38.585 1.00 0.00 WAT1 ATOM 4556 H2 TIP3 1040 28.754 -18.433 -39.376 1.00 0.00 WAT1 ATOM 4557 OH2 TIP3 1041 23.446 -6.680 -25.563 1.00 0.00 WAT1 ATOM 4558 H1 TIP3 1041 23.023 -7.384 -25.020 1.00 0.00 WAT1 ATOM 4559 H2 TIP3 1041 23.863 -7.162 -26.300 1.00 0.00 WAT1 ATOM 4560 OH2 TIP3 1042 26.103 -4.468 -22.029 1.00 0.00 WAT1 ATOM 4561 H1 TIP3 1042 26.834 -3.874 -22.245 1.00 0.00 WAT1 ATOM 4562 H2 TIP3 1042 25.895 -4.912 -22.881 1.00 0.00 WAT1 ATOM 4563 OH2 TIP3 1043 16.555 -8.138 -27.023 1.00 0.00 WAT1 ATOM 4564 H1 TIP3 1043 17.086 -8.861 -27.418 1.00 0.00 WAT1 ATOM 4565 H2 TIP3 1043 17.214 -7.492 -26.737 1.00 0.00 WAT1 ATOM 4566 OH2 TIP3 1044 21.998 -6.503 -28.774 1.00 0.00 WAT1 ATOM 4567 H1 TIP3 1044 21.546 -6.168 -27.971 1.00 0.00 WAT1 ATOM 4568 H2 TIP3 1044 22.146 -5.700 -29.317 1.00 0.00 WAT1 ATOM 4569 OH2 TIP3 1045 21.631 -4.049 -20.580 1.00 0.00 WAT1 ATOM 4570 H1 TIP3 1045 20.872 -4.627 -20.802 1.00 0.00 WAT1 ATOM 4571 H2 TIP3 1045 21.403 -3.201 -20.969 1.00 0.00 WAT1 ATOM 4572 OH2 TIP3 1046 31.462 -7.494 -25.834 1.00 0.00 WAT1 ATOM 4573 H1 TIP3 1046 31.262 -8.079 -26.593 1.00 0.00 WAT1 ATOM 4574 H2 TIP3 1046 31.301 -8.052 -25.050 1.00 0.00 WAT1 ATOM 4575 OH2 TIP3 1047 32.083 -5.091 -29.660 1.00 0.00 WAT1 ATOM 4576 H1 TIP3 1047 31.777 -5.079 -28.724 1.00 0.00 WAT1 ATOM 4577 H2 TIP3 1047 33.009 -4.844 -29.606 1.00 0.00 WAT1 ATOM 4578 OH2 TIP3 1048 21.218 -5.363 -26.362 1.00 0.00 WAT1 ATOM 4579 H1 TIP3 1048 22.029 -5.779 -25.987 1.00 0.00 WAT1 ATOM 4580 H2 TIP3 1048 21.424 -4.400 -26.360 1.00 0.00 WAT1 ATOM 4581 OH2 TIP3 1049 28.327 -4.884 -24.083 1.00 0.00 WAT1 ATOM 4582 H1 TIP3 1049 27.438 -5.202 -24.354 1.00 0.00 WAT1 ATOM 4583 H2 TIP3 1049 28.821 -4.836 -24.907 1.00 0.00 WAT1 ATOM 4584 OH2 TIP3 1050 31.689 -5.032 -26.943 1.00 0.00 WAT1 ATOM 4585 H1 TIP3 1050 31.640 -5.949 -26.583 1.00 0.00 WAT1 ATOM 4586 H2 TIP3 1050 31.691 -4.475 -26.161 1.00 0.00 WAT1 ATOM 4587 OH2 TIP3 1051 31.271 -9.880 -20.663 1.00 0.00 WAT1 ATOM 4588 H1 TIP3 1051 31.482 -9.589 -19.767 1.00 0.00 WAT1 ATOM 4589 H2 TIP3 1051 30.337 -9.602 -20.792 1.00 0.00 WAT1 ATOM 4590 OH2 TIP3 1052 22.436 -2.928 -26.400 1.00 0.00 WAT1 ATOM 4591 H1 TIP3 1052 22.781 -2.035 -26.347 1.00 0.00 WAT1 ATOM 4592 H2 TIP3 1052 23.164 -3.445 -26.818 1.00 0.00 WAT1 ATOM 4593 OH2 TIP3 1053 19.696 -5.820 -21.628 1.00 0.00 WAT1 ATOM 4594 H1 TIP3 1053 20.532 -6.338 -21.622 1.00 0.00 WAT1 ATOM 4595 H2 TIP3 1053 19.043 -6.432 -21.995 1.00 0.00 WAT1 ATOM 4596 OH2 TIP3 1054 24.516 -7.359 -28.137 1.00 0.00 WAT1 ATOM 4597 H1 TIP3 1054 24.407 -8.330 -28.018 1.00 0.00 WAT1 ATOM 4598 H2 TIP3 1054 23.645 -7.066 -28.482 1.00 0.00 WAT1 ATOM 4599 OH2 TIP3 1055 28.819 -15.656 -23.347 1.00 0.00 WAT1 ATOM 4600 H1 TIP3 1055 29.006 -15.576 -24.319 1.00 0.00 WAT1 ATOM 4601 H2 TIP3 1055 29.695 -15.639 -22.935 1.00 0.00 WAT1 ATOM 4602 OH2 TIP3 1056 30.896 -9.245 -23.615 1.00 0.00 WAT1 ATOM 4603 H1 TIP3 1056 31.123 -9.274 -22.668 1.00 0.00 WAT1 ATOM 4604 H2 TIP3 1056 31.150 -10.116 -23.947 1.00 0.00 WAT1 ATOM 4605 OH2 TIP3 1057 27.907 -12.427 -30.868 1.00 0.00 WAT1 ATOM 4606 H1 TIP3 1057 27.372 -11.808 -30.333 1.00 0.00 WAT1 ATOM 4607 H2 TIP3 1057 27.319 -12.671 -31.612 1.00 0.00 WAT1 ATOM 4608 OH2 TIP3 1058 26.833 -7.918 -29.853 1.00 0.00 WAT1 ATOM 4609 H1 TIP3 1058 26.234 -7.890 -30.629 1.00 0.00 WAT1 ATOM 4610 H2 TIP3 1058 26.311 -7.510 -29.137 1.00 0.00 WAT1 ATOM 4611 OH2 TIP3 1059 30.472 -6.218 -31.534 1.00 0.00 WAT1 ATOM 4612 H1 TIP3 1059 30.459 -5.533 -32.205 1.00 0.00 WAT1 ATOM 4613 H2 TIP3 1059 31.050 -5.850 -30.825 1.00 0.00 WAT1 ATOM 4614 OH2 TIP3 1060 22.288 -8.575 -23.978 1.00 0.00 WAT1 ATOM 4615 H1 TIP3 1060 21.461 -9.075 -23.800 1.00 0.00 WAT1 ATOM 4616 H2 TIP3 1060 22.921 -9.261 -24.291 1.00 0.00 WAT1 ATOM 4617 OH2 TIP3 1061 24.920 -8.363 -31.766 1.00 0.00 WAT1 ATOM 4618 H1 TIP3 1061 24.031 -8.340 -31.331 1.00 0.00 WAT1 ATOM 4619 H2 TIP3 1061 25.071 -9.309 -31.937 1.00 0.00 WAT1 ATOM 4620 OH2 TIP3 1062 19.047 -12.382 -24.086 1.00 0.00 WAT1 ATOM 4621 H1 TIP3 1062 19.281 -12.850 -23.248 1.00 0.00 WAT1 ATOM 4622 H2 TIP3 1062 19.329 -12.992 -24.787 1.00 0.00 WAT1 ATOM 4623 OH2 TIP3 1063 22.075 -11.324 -30.521 1.00 0.00 WAT1 ATOM 4624 H1 TIP3 1063 21.416 -11.081 -31.209 1.00 0.00 WAT1 ATOM 4625 H2 TIP3 1063 21.529 -11.560 -29.743 1.00 0.00 WAT1 ATOM 4626 OH2 TIP3 1064 25.794 -5.876 -24.358 1.00 0.00 WAT1 ATOM 4627 H1 TIP3 1064 25.846 -6.804 -24.038 1.00 0.00 WAT1 ATOM 4628 H2 TIP3 1064 24.957 -5.851 -24.868 1.00 0.00 WAT1 ATOM 4629 OH2 TIP3 1065 20.609 -11.839 -28.227 1.00 0.00 WAT1 ATOM 4630 H1 TIP3 1065 21.461 -12.065 -27.804 1.00 0.00 WAT1 ATOM 4631 H2 TIP3 1065 19.973 -12.484 -27.846 1.00 0.00 WAT1 ATOM 4632 OH2 TIP3 1066 23.616 -9.852 -27.592 1.00 0.00 WAT1 ATOM 4633 H1 TIP3 1066 23.765 -9.922 -26.625 1.00 0.00 WAT1 ATOM 4634 H2 TIP3 1066 23.342 -10.748 -27.851 1.00 0.00 WAT1 ATOM 4635 OH2 TIP3 1067 28.156 -9.241 -24.423 1.00 0.00 WAT1 ATOM 4636 H1 TIP3 1067 28.963 -9.048 -23.907 1.00 0.00 WAT1 ATOM 4637 H2 TIP3 1067 27.425 -8.909 -23.859 1.00 0.00 WAT1 ATOM 4638 OH2 TIP3 1068 24.200 -5.753 -32.305 1.00 0.00 WAT1 ATOM 4639 H1 TIP3 1068 24.181 -5.714 -33.265 1.00 0.00 WAT1 ATOM 4640 H2 TIP3 1068 24.573 -6.639 -32.108 1.00 0.00 WAT1 ATOM 4641 OH2 TIP3 1069 30.394 -11.068 -30.329 1.00 0.00 WAT1 ATOM 4642 H1 TIP3 1069 30.102 -10.145 -30.494 1.00 0.00 WAT1 ATOM 4643 H2 TIP3 1069 29.656 -11.612 -30.660 1.00 0.00 WAT1 ATOM 4644 OH2 TIP3 1070 33.112 -11.799 -30.456 1.00 0.00 WAT1 ATOM 4645 H1 TIP3 1070 32.276 -11.315 -30.350 1.00 0.00 WAT1 ATOM 4646 H2 TIP3 1070 32.892 -12.507 -31.095 1.00 0.00 WAT1 ATOM 4647 OH2 TIP3 1071 23.008 -4.377 -30.256 1.00 0.00 WAT1 ATOM 4648 H1 TIP3 1071 23.436 -4.885 -30.988 1.00 0.00 WAT1 ATOM 4649 H2 TIP3 1071 22.780 -3.532 -30.659 1.00 0.00 WAT1 ATOM 4650 OH2 TIP3 1072 28.018 -6.602 -21.938 1.00 0.00 WAT1 ATOM 4651 H1 TIP3 1072 27.294 -6.068 -21.577 1.00 0.00 WAT1 ATOM 4652 H2 TIP3 1072 28.379 -6.053 -22.662 1.00 0.00 WAT1 ATOM 4653 OH2 TIP3 1073 24.207 -4.482 -27.775 1.00 0.00 WAT1 ATOM 4654 H1 TIP3 1073 24.559 -5.385 -27.707 1.00 0.00 WAT1 ATOM 4655 H2 TIP3 1073 23.905 -4.412 -28.703 1.00 0.00 WAT1 ATOM 4656 OH2 TIP3 1074 27.256 -12.844 -23.632 1.00 0.00 WAT1 ATOM 4657 H1 TIP3 1074 27.245 -13.224 -24.536 1.00 0.00 WAT1 ATOM 4658 H2 TIP3 1074 26.494 -12.218 -23.625 1.00 0.00 WAT1 ATOM 4659 OH2 TIP3 1075 30.925 -8.898 -28.173 1.00 0.00 WAT1 ATOM 4660 H1 TIP3 1075 30.327 -8.633 -28.907 1.00 0.00 WAT1 ATOM 4661 H2 TIP3 1075 31.735 -9.174 -28.621 1.00 0.00 WAT1 ATOM 4662 OH2 TIP3 1076 26.427 -10.014 -26.445 1.00 0.00 WAT1 ATOM 4663 H1 TIP3 1076 25.610 -10.148 -25.924 1.00 0.00 WAT1 ATOM 4664 H2 TIP3 1076 27.065 -9.650 -25.800 1.00 0.00 WAT1 ATOM 4665 OH2 TIP3 1077 25.612 -8.524 -23.451 1.00 0.00 WAT1 ATOM 4666 H1 TIP3 1077 25.186 -8.516 -22.581 1.00 0.00 WAT1 ATOM 4667 H2 TIP3 1077 25.129 -9.225 -23.946 1.00 0.00 WAT1 ATOM 4668 OH2 TIP3 1078 24.812 -11.150 -31.081 1.00 0.00 WAT1 ATOM 4669 H1 TIP3 1078 23.853 -11.164 -30.862 1.00 0.00 WAT1 ATOM 4670 H2 TIP3 1078 25.249 -10.929 -30.232 1.00 0.00 WAT1 ATOM 4671 OH2 TIP3 1079 20.057 -10.398 -32.164 1.00 0.00 WAT1 ATOM 4672 H1 TIP3 1079 20.186 -9.512 -32.521 1.00 0.00 WAT1 ATOM 4673 H2 TIP3 1079 19.520 -10.859 -32.854 1.00 0.00 WAT1 ATOM 4674 OH2 TIP3 1080 22.641 -7.190 -18.852 1.00 0.00 WAT1 ATOM 4675 H1 TIP3 1080 22.202 -7.551 -19.645 1.00 0.00 WAT1 ATOM 4676 H2 TIP3 1080 23.272 -6.531 -19.213 1.00 0.00 WAT1 ATOM 4677 OH2 TIP3 1081 23.781 -9.914 -21.282 1.00 0.00 WAT1 ATOM 4678 H1 TIP3 1081 24.043 -10.281 -20.413 1.00 0.00 WAT1 ATOM 4679 H2 TIP3 1081 24.236 -10.487 -21.932 1.00 0.00 WAT1 ATOM 4680 OH2 TIP3 1082 23.976 -5.501 -20.589 1.00 0.00 WAT1 ATOM 4681 H1 TIP3 1082 24.727 -5.045 -21.027 1.00 0.00 WAT1 ATOM 4682 H2 TIP3 1082 23.265 -4.822 -20.560 1.00 0.00 WAT1 ATOM 4683 OH2 TIP3 1083 23.604 -9.060 -17.034 1.00 0.00 WAT1 ATOM 4684 H1 TIP3 1083 23.701 -9.804 -17.668 1.00 0.00 WAT1 ATOM 4685 H2 TIP3 1083 23.192 -8.346 -17.568 1.00 0.00 WAT1 ATOM 4686 OH2 TIP3 1084 28.485 -11.817 -21.330 1.00 0.00 WAT1 ATOM 4687 H1 TIP3 1084 28.642 -10.845 -21.311 1.00 0.00 WAT1 ATOM 4688 H2 TIP3 1084 28.360 -12.023 -22.279 1.00 0.00 WAT1 ATOM 4689 OH2 TIP3 1085 28.700 -9.094 -21.065 1.00 0.00 WAT1 ATOM 4690 H1 TIP3 1085 28.452 -9.087 -20.105 1.00 0.00 WAT1 ATOM 4691 H2 TIP3 1085 28.444 -8.195 -21.384 1.00 0.00 WAT1 ATOM 4692 OH2 TIP3 1086 23.666 -11.191 -18.752 1.00 0.00 WAT1 ATOM 4693 H1 TIP3 1086 24.241 -11.974 -18.642 1.00 0.00 WAT1 ATOM 4694 H2 TIP3 1086 22.756 -11.562 -18.749 1.00 0.00 WAT1 ATOM 4695 OH2 TIP3 1087 28.232 -9.250 -18.430 1.00 0.00 WAT1 ATOM 4696 H1 TIP3 1087 28.228 -10.151 -18.035 1.00 0.00 WAT1 ATOM 4697 H2 TIP3 1087 27.562 -8.757 -17.907 1.00 0.00 WAT1 ATOM 4698 OH2 TIP3 1088 22.027 -7.186 -21.600 1.00 0.00 WAT1 ATOM 4699 H1 TIP3 1088 22.240 -7.726 -22.391 1.00 0.00 WAT1 ATOM 4700 H2 TIP3 1088 22.845 -6.674 -21.433 1.00 0.00 WAT1 ATOM 4701 OH2 TIP3 1089 21.077 -10.413 -20.878 1.00 0.00 WAT1 ATOM 4702 H1 TIP3 1089 22.015 -10.130 -20.967 1.00 0.00 WAT1 ATOM 4703 H2 TIP3 1089 20.695 -10.246 -21.767 1.00 0.00 WAT1 ATOM 4704 OH2 TIP3 1090 34.313 -14.064 -29.369 1.00 0.00 WAT1 ATOM 4705 H1 TIP3 1090 34.623 -13.841 -28.488 1.00 0.00 WAT1 ATOM 4706 H2 TIP3 1090 33.981 -13.213 -29.729 1.00 0.00 WAT1 ATOM 4707 OH2 TIP3 1091 18.198 -10.299 -27.739 1.00 0.00 WAT1 ATOM 4708 H1 TIP3 1091 19.075 -10.721 -27.835 1.00 0.00 WAT1 ATOM 4709 H2 TIP3 1091 17.735 -10.853 -27.082 1.00 0.00 WAT1 ATOM 4710 OH2 TIP3 1092 19.603 -13.570 -21.692 1.00 0.00 WAT1 ATOM 4711 H1 TIP3 1092 20.262 -14.054 -21.149 1.00 0.00 WAT1 ATOM 4712 H2 TIP3 1092 18.950 -13.239 -21.035 1.00 0.00 WAT1 ATOM 4713 OH2 TIP3 1093 29.718 -10.538 -26.334 1.00 0.00 WAT1 ATOM 4714 H1 TIP3 1093 30.030 -9.855 -26.965 1.00 0.00 WAT1 ATOM 4715 H2 TIP3 1093 29.167 -10.042 -25.696 1.00 0.00 WAT1 ATOM 4716 OH2 TIP3 1094 33.459 -16.159 -30.947 1.00 0.00 WAT1 ATOM 4717 H1 TIP3 1094 32.954 -16.694 -30.297 1.00 0.00 WAT1 ATOM 4718 H2 TIP3 1094 33.969 -15.526 -30.390 1.00 0.00 WAT1 ATOM 4719 OH2 TIP3 1095 31.059 -12.296 -27.927 1.00 0.00 WAT1 ATOM 4720 H1 TIP3 1095 30.919 -11.873 -28.798 1.00 0.00 WAT1 ATOM 4721 H2 TIP3 1095 30.621 -11.691 -27.293 1.00 0.00 WAT1 ATOM 4722 OH2 TIP3 1096 26.672 -10.565 -29.110 1.00 0.00 WAT1 ATOM 4723 H1 TIP3 1096 26.857 -9.655 -29.429 1.00 0.00 WAT1 ATOM 4724 H2 TIP3 1096 26.550 -10.455 -28.135 1.00 0.00 WAT1 ATOM 4725 OH2 TIP3 1097 20.975 -15.012 -19.854 1.00 0.00 WAT1 ATOM 4726 H1 TIP3 1097 20.255 -15.587 -19.556 1.00 0.00 WAT1 ATOM 4727 H2 TIP3 1097 21.779 -15.420 -19.466 1.00 0.00 WAT1 ATOM 4728 OH2 TIP3 1098 25.265 -13.430 -18.371 1.00 0.00 WAT1 ATOM 4729 H1 TIP3 1098 25.627 -13.068 -19.210 1.00 0.00 WAT1 ATOM 4730 H2 TIP3 1098 25.678 -14.307 -18.297 1.00 0.00 WAT1 ATOM 4731 OH2 TIP3 1099 22.903 -4.463 -4.427 1.00 0.00 WAT1 ATOM 4732 H1 TIP3 1099 23.349 -5.262 -4.076 1.00 0.00 WAT1 ATOM 4733 H2 TIP3 1099 23.301 -4.339 -5.317 1.00 0.00 WAT1 ATOM 4734 OH2 TIP3 1100 17.293 -6.739 -7.569 1.00 0.00 WAT1 ATOM 4735 H1 TIP3 1100 16.556 -6.311 -7.091 1.00 0.00 WAT1 ATOM 4736 H2 TIP3 1100 17.798 -5.989 -7.939 1.00 0.00 WAT1 ATOM 4737 OH2 TIP3 1101 24.493 -9.397 -6.769 1.00 0.00 WAT1 ATOM 4738 H1 TIP3 1101 24.888 -8.515 -6.967 1.00 0.00 WAT1 ATOM 4739 H2 TIP3 1101 24.709 -9.933 -7.540 1.00 0.00 WAT1 ATOM 4740 OH2 TIP3 1102 16.760 -10.556 -9.272 1.00 0.00 WAT1 ATOM 4741 H1 TIP3 1102 17.328 -11.355 -9.193 1.00 0.00 WAT1 ATOM 4742 H2 TIP3 1102 15.991 -10.860 -9.808 1.00 0.00 WAT1 ATOM 4743 OH2 TIP3 1103 20.262 -11.433 -5.005 1.00 0.00 WAT1 ATOM 4744 H1 TIP3 1103 20.866 -10.678 -5.190 1.00 0.00 WAT1 ATOM 4745 H2 TIP3 1103 20.839 -12.221 -5.066 1.00 0.00 WAT1 ATOM 4746 OH2 TIP3 1104 22.073 -9.421 -5.374 1.00 0.00 WAT1 ATOM 4747 H1 TIP3 1104 22.635 -9.247 -4.603 1.00 0.00 WAT1 ATOM 4748 H2 TIP3 1104 22.699 -9.450 -6.120 1.00 0.00 WAT1 ATOM 4749 OH2 TIP3 1105 19.660 -5.250 -10.696 1.00 0.00 WAT1 ATOM 4750 H1 TIP3 1105 20.174 -6.066 -10.662 1.00 0.00 WAT1 ATOM 4751 H2 TIP3 1105 20.212 -4.641 -11.239 1.00 0.00 WAT1 ATOM 4752 OH2 TIP3 1106 24.957 -1.541 -9.650 1.00 0.00 WAT1 ATOM 4753 H1 TIP3 1106 25.572 -1.439 -10.383 1.00 0.00 WAT1 ATOM 4754 H2 TIP3 1106 25.155 -0.800 -9.067 1.00 0.00 WAT1 ATOM 4755 OH2 TIP3 1107 24.237 -1.417 -1.282 1.00 0.00 WAT1 ATOM 4756 H1 TIP3 1107 24.430 -0.523 -1.627 1.00 0.00 WAT1 ATOM 4757 H2 TIP3 1107 24.131 -1.278 -0.324 1.00 0.00 WAT1 ATOM 4758 OH2 TIP3 1108 17.969 -4.213 -5.717 1.00 0.00 WAT1 ATOM 4759 H1 TIP3 1108 18.829 -4.411 -5.280 1.00 0.00 WAT1 ATOM 4760 H2 TIP3 1108 18.207 -4.068 -6.659 1.00 0.00 WAT1 ATOM 4761 OH2 TIP3 1109 20.918 -0.935 0.990 1.00 0.00 WAT1 ATOM 4762 H1 TIP3 1109 20.781 -1.023 0.025 1.00 0.00 WAT1 ATOM 4763 H2 TIP3 1109 20.019 -0.777 1.342 1.00 0.00 WAT1 ATOM 4764 OH2 TIP3 1110 24.275 1.325 -1.018 1.00 0.00 WAT1 ATOM 4765 H1 TIP3 1110 24.013 0.926 -0.163 1.00 0.00 WAT1 ATOM 4766 H2 TIP3 1110 24.451 2.244 -0.806 1.00 0.00 WAT1 ATOM 4767 OH2 TIP3 1111 21.806 -13.753 -5.087 1.00 0.00 WAT1 ATOM 4768 H1 TIP3 1111 22.109 -13.753 -4.151 1.00 0.00 WAT1 ATOM 4769 H2 TIP3 1111 22.646 -13.745 -5.606 1.00 0.00 WAT1 ATOM 4770 OH2 TIP3 1112 24.262 -4.529 -6.779 1.00 0.00 WAT1 ATOM 4771 H1 TIP3 1112 24.450 -5.404 -7.159 1.00 0.00 WAT1 ATOM 4772 H2 TIP3 1112 23.809 -4.044 -7.510 1.00 0.00 WAT1 ATOM 4773 OH2 TIP3 1113 25.756 -6.992 -7.065 1.00 0.00 WAT1 ATOM 4774 H1 TIP3 1113 26.477 -6.785 -7.672 1.00 0.00 WAT1 ATOM 4775 H2 TIP3 1113 26.015 -6.553 -6.226 1.00 0.00 WAT1 ATOM 4776 OH2 TIP3 1114 26.201 -7.929 -17.138 1.00 0.00 WAT1 ATOM 4777 H1 TIP3 1114 25.348 -8.353 -16.925 1.00 0.00 WAT1 ATOM 4778 H2 TIP3 1114 25.975 -7.012 -17.303 1.00 0.00 WAT1 ATOM 4779 OH2 TIP3 1115 22.492 -12.587 -13.543 1.00 0.00 WAT1 ATOM 4780 H1 TIP3 1115 23.224 -12.670 -14.178 1.00 0.00 WAT1 ATOM 4781 H2 TIP3 1115 21.995 -11.808 -13.858 1.00 0.00 WAT1 ATOM 4782 OH2 TIP3 1116 16.874 -5.192 -10.939 1.00 0.00 WAT1 ATOM 4783 H1 TIP3 1116 17.852 -5.265 -10.929 1.00 0.00 WAT1 ATOM 4784 H2 TIP3 1116 16.609 -5.643 -11.763 1.00 0.00 WAT1 ATOM 4785 OH2 TIP3 1117 23.547 -0.239 1.173 1.00 0.00 WAT1 ATOM 4786 H1 TIP3 1117 22.586 -0.462 1.145 1.00 0.00 WAT1 ATOM 4787 H2 TIP3 1117 23.786 -0.347 2.099 1.00 0.00 WAT1 ATOM 4788 OH2 TIP3 1118 18.151 -12.783 -8.571 1.00 0.00 WAT1 ATOM 4789 H1 TIP3 1118 18.954 -13.333 -8.653 1.00 0.00 WAT1 ATOM 4790 H2 TIP3 1118 18.046 -12.662 -7.602 1.00 0.00 WAT1 ATOM 4791 OH2 TIP3 1119 24.534 -9.241 -3.999 1.00 0.00 WAT1 ATOM 4792 H1 TIP3 1119 24.671 -9.384 -4.962 1.00 0.00 WAT1 ATOM 4793 H2 TIP3 1119 25.005 -9.972 -3.582 1.00 0.00 WAT1 ATOM 4794 OH2 TIP3 1120 23.102 -3.416 -8.980 1.00 0.00 WAT1 ATOM 4795 H1 TIP3 1120 23.769 -2.739 -9.237 1.00 0.00 WAT1 ATOM 4796 H2 TIP3 1120 22.465 -3.405 -9.703 1.00 0.00 WAT1 ATOM 4797 OH2 TIP3 1121 21.252 -3.636 -12.227 1.00 0.00 WAT1 ATOM 4798 H1 TIP3 1121 20.870 -2.827 -12.589 1.00 0.00 WAT1 ATOM 4799 H2 TIP3 1121 21.857 -3.942 -12.914 1.00 0.00 WAT1 ATOM 4800 OH2 TIP3 1122 21.678 -10.348 -15.167 1.00 0.00 WAT1 ATOM 4801 H1 TIP3 1122 22.379 -9.913 -15.687 1.00 0.00 WAT1 ATOM 4802 H2 TIP3 1122 21.042 -9.619 -14.970 1.00 0.00 WAT1 ATOM 4803 OH2 TIP3 1123 24.293 -13.793 -6.142 1.00 0.00 WAT1 ATOM 4804 H1 TIP3 1123 25.070 -14.301 -5.892 1.00 0.00 WAT1 ATOM 4805 H2 TIP3 1123 24.541 -13.378 -6.995 1.00 0.00 WAT1 ATOM 4806 OH2 TIP3 1124 19.328 -5.686 3.397 1.00 0.00 WAT1 ATOM 4807 H1 TIP3 1124 19.151 -6.280 2.641 1.00 0.00 WAT1 ATOM 4808 H2 TIP3 1124 19.478 -4.808 2.979 1.00 0.00 WAT1 ATOM 4809 OH2 TIP3 1125 19.093 -7.580 1.433 1.00 0.00 WAT1 ATOM 4810 H1 TIP3 1125 19.761 -7.759 0.745 1.00 0.00 WAT1 ATOM 4811 H2 TIP3 1125 19.385 -8.124 2.193 1.00 0.00 WAT1 ATOM 4812 OH2 TIP3 1126 22.366 -3.164 -2.098 1.00 0.00 WAT1 ATOM 4813 H1 TIP3 1126 23.104 -2.569 -1.810 1.00 0.00 WAT1 ATOM 4814 H2 TIP3 1126 22.621 -3.439 -3.006 1.00 0.00 WAT1 ATOM 4815 OH2 TIP3 1127 24.262 -6.596 -3.347 1.00 0.00 WAT1 ATOM 4816 H1 TIP3 1127 24.326 -7.566 -3.504 1.00 0.00 WAT1 ATOM 4817 H2 TIP3 1127 25.084 -6.238 -3.741 1.00 0.00 WAT1 ATOM 4818 OH2 TIP3 1128 26.133 -5.262 -4.926 1.00 0.00 WAT1 ATOM 4819 H1 TIP3 1128 26.672 -4.599 -4.476 1.00 0.00 WAT1 ATOM 4820 H2 TIP3 1128 25.506 -4.735 -5.472 1.00 0.00 WAT1 ATOM 4821 OH2 TIP3 1129 22.437 -5.895 -1.389 1.00 0.00 WAT1 ATOM 4822 H1 TIP3 1129 22.549 -4.923 -1.447 1.00 0.00 WAT1 ATOM 4823 H2 TIP3 1129 23.131 -6.250 -1.988 1.00 0.00 WAT1 ATOM 4824 OH2 TIP3 1130 21.345 -8.175 -0.154 1.00 0.00 WAT1 ATOM 4825 H1 TIP3 1130 21.674 -7.435 -0.708 1.00 0.00 WAT1 ATOM 4826 H2 TIP3 1130 21.971 -8.213 0.582 1.00 0.00 WAT1 ATOM 4827 OH2 TIP3 1131 20.183 -4.710 -4.205 1.00 0.00 WAT1 ATOM 4828 H1 TIP3 1131 21.137 -4.567 -4.396 1.00 0.00 WAT1 ATOM 4829 H2 TIP3 1131 20.092 -4.481 -3.258 1.00 0.00 WAT1 ATOM 4830 OH2 TIP3 1132 18.047 -9.310 -7.160 1.00 0.00 WAT1 ATOM 4831 H1 TIP3 1132 17.718 -9.805 -7.936 1.00 0.00 WAT1 ATOM 4832 H2 TIP3 1132 17.832 -8.371 -7.364 1.00 0.00 WAT1 ATOM 4833 OH2 TIP3 1133 24.856 -12.875 -8.661 1.00 0.00 WAT1 ATOM 4834 H1 TIP3 1133 24.048 -13.080 -9.150 1.00 0.00 WAT1 ATOM 4835 H2 TIP3 1133 25.549 -12.884 -9.331 1.00 0.00 WAT1 ATOM 4836 OH2 TIP3 1134 22.101 -14.214 -16.300 1.00 0.00 WAT1 ATOM 4837 H1 TIP3 1134 22.829 -13.570 -16.148 1.00 0.00 WAT1 ATOM 4838 H2 TIP3 1134 21.293 -13.658 -16.316 1.00 0.00 WAT1 ATOM 4839 OH2 TIP3 1135 24.166 -12.487 -15.910 1.00 0.00 WAT1 ATOM 4840 H1 TIP3 1135 24.367 -11.540 -15.921 1.00 0.00 WAT1 ATOM 4841 H2 TIP3 1135 24.671 -12.847 -16.669 1.00 0.00 WAT1 ATOM 4842 OH2 TIP3 1136 19.806 -10.608 -0.493 1.00 0.00 WAT1 ATOM 4843 H1 TIP3 1136 20.404 -9.841 -0.492 1.00 0.00 WAT1 ATOM 4844 H2 TIP3 1136 19.768 -10.883 0.448 1.00 0.00 WAT1 ATOM 4845 OH2 TIP3 1137 23.710 -14.297 2.716 1.00 0.00 WAT1 ATOM 4846 H1 TIP3 1137 23.564 -15.252 2.533 1.00 0.00 WAT1 ATOM 4847 H2 TIP3 1137 24.650 -14.237 2.926 1.00 0.00 WAT1 ATOM 4848 OH2 TIP3 1138 20.196 -8.504 3.853 1.00 0.00 WAT1 ATOM 4849 H1 TIP3 1138 20.158 -7.566 4.109 1.00 0.00 WAT1 ATOM 4850 H2 TIP3 1138 20.769 -8.919 4.540 1.00 0.00 WAT1 ATOM 4851 OH2 TIP3 1139 17.849 -4.541 7.465 1.00 0.00 WAT1 ATOM 4852 H1 TIP3 1139 17.030 -4.055 7.609 1.00 0.00 WAT1 ATOM 4853 H2 TIP3 1139 18.541 -3.927 7.739 1.00 0.00 WAT1 ATOM 4854 OH2 TIP3 1140 18.160 -6.582 5.728 1.00 0.00 WAT1 ATOM 4855 H1 TIP3 1140 18.059 -5.779 6.286 1.00 0.00 WAT1 ATOM 4856 H2 TIP3 1140 18.527 -6.240 4.882 1.00 0.00 WAT1 ATOM 4857 OH2 TIP3 1141 21.403 -9.841 5.937 1.00 0.00 WAT1 ATOM 4858 H1 TIP3 1141 20.954 -9.654 6.768 1.00 0.00 WAT1 ATOM 4859 H2 TIP3 1141 21.902 -10.664 6.115 1.00 0.00 WAT1 ATOM 4860 OH2 TIP3 1142 19.139 -12.698 5.248 1.00 0.00 WAT1 ATOM 4861 H1 TIP3 1142 19.988 -12.894 4.798 1.00 0.00 WAT1 ATOM 4862 H2 TIP3 1142 18.864 -11.833 4.881 1.00 0.00 WAT1 ATOM 4863 OH2 TIP3 1143 23.684 -14.183 -0.078 1.00 0.00 WAT1 ATOM 4864 H1 TIP3 1143 24.400 -14.858 -0.108 1.00 0.00 WAT1 ATOM 4865 H2 TIP3 1143 23.574 -13.996 0.871 1.00 0.00 WAT1 END