REMARK FILENAME="/farm/data/gliu/projects/HR3102A/cns/calc7f1a_hb/refinedPDB_" REMARK ***** CHARMM water box from Charlie Brooks. ******** REMARK * This is a box of 216 3-site water molecules in the experimental REMARK * geometry. It was constructed from an equilibrated REMARK * configuration of TIP3P (3-site water model of Jorgenson) REMARK * waters at 1 atm pressure and a density of 0.0334 molecules/A**-3. REMARK * The box edgelength is 18.856 A. The minimum image periodic REMARK * boundary energy for this configuration using the TIP3P REMARK * potentials is -2150.6833 kcal/mol. REMARK DATE:17-Dec-2009 14:30:09 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 -13.352 6.972 -6.025 1.00 31.14 ATOM 2 CB MET 1 -13.228 5.995 -4.125 1.00 21.23 ATOM 3 HB1 MET 1 -12.924 5.034 -4.523 1.00 37.49 ATOM 4 HB2 MET 1 -13.880 5.827 -3.278 1.00 41.23 ATOM 5 CG MET 1 -11.996 6.731 -3.624 1.00 41.24 ATOM 6 HG1 MET 1 -11.717 6.297 -2.675 1.00 37.49 ATOM 7 HG2 MET 1 -12.222 7.774 -3.474 1.00 33.33 ATOM 8 SD MET 1 -10.598 6.595 -4.756 1.00 14.52 ATOM 9 CE MET 1 -9.262 6.276 -3.607 1.00 12.35 ATOM 10 HE1 MET 1 -9.466 5.366 -3.061 1.00 54.20 ATOM 11 HE2 MET 1 -9.178 7.100 -2.914 1.00 21.41 ATOM 12 HE3 MET 1 -8.336 6.169 -4.152 1.00 34.00 ATOM 13 C MET 1 -15.179 5.921 -5.689 1.00 31.02 ATOM 14 O MET 1 -16.314 6.097 -5.249 1.00 33.05 ATOM 15 N MET 1 -14.476 8.038 -4.658 1.00 42.11 ATOM 16 HT1 MET 1 -13.677 8.677 -4.482 1.00 37.49 ATOM 17 HT2 MET 1 -14.997 7.898 -3.765 1.00 37.49 ATOM 18 HT3 MET 1 -15.115 8.503 -5.340 1.00 37.49 ATOM 19 CA MET 1 -14.009 6.764 -5.192 1.00 62.10 ATOM 20 N GLY 2 -14.894 5.005 -6.609 1.00 73.51 ATOM 21 HN GLY 2 -13.964 4.907 -6.926 1.00 37.49 ATOM 22 CA GLY 2 -15.934 4.149 -7.150 1.00 62.34 ATOM 23 HA1 GLY 2 -16.708 4.767 -7.587 1.00 37.49 ATOM 24 HA2 GLY 2 -16.367 3.566 -6.347 1.00 40.42 ATOM 25 C GLY 2 -15.412 3.206 -8.217 1.00 10.31 ATOM 26 O GLY 2 -15.433 3.529 -9.405 1.00 71.01 ATOM 27 N HIS 3 -14.941 2.038 -7.793 1.00 25.02 ATOM 28 HN HIS 3 -14.935 1.838 -6.827 1.00 37.49 ATOM 29 CA HIS 3 -14.410 1.046 -8.721 1.00 25.33 ATOM 30 HA HIS 3 -14.842 1.222 -9.701 1.00 53.11 ATOM 31 CB HIS 3 -12.888 1.165 -8.812 1.00 50.25 ATOM 32 HB1 HIS 3 -12.421 0.600 -8.014 1.00 37.49 ATOM 33 HB2 HIS 3 -12.609 2.205 -8.710 1.00 12.42 ATOM 34 CG HIS 3 -12.327 0.682 -10.114 1.00 43.24 ATOM 35 ND1 HIS 3 -12.254 1.473 -11.242 1.00 23.41 ATOM 36 HD1 HIS 3 -12.553 2.404 -11.309 1.00 30.01 ATOM 37 CD2 HIS 3 -11.808 -0.518 -10.464 1.00 31.20 ATOM 38 HD2 HIS 3 -11.705 -1.383 -9.824 1.00 2.14 ATOM 39 CE1 HIS 3 -11.716 0.779 -12.229 1.00 71.22 ATOM 40 HE1 HIS 3 -11.535 1.141 -13.230 1.00 34.24 ATOM 41 NE2 HIS 3 -11.436 -0.432 -11.783 1.00 72.51 ATOM 42 HE2 HIS 3 -10.945 -1.118 -12.282 1.00 37.49 ATOM 43 C HIS 3 -14.796 -0.365 -8.287 1.00 24.22 ATOM 44 O HIS 3 -15.210 -0.584 -7.148 1.00 55.11 ATOM 45 N HIS 4 -14.657 -1.319 -9.202 1.00 30.31 ATOM 46 HN HIS 4 -14.369 -1.090 -10.110 1.00 37.49 ATOM 47 CA HIS 4 -14.992 -2.709 -8.914 1.00 24.54 ATOM 48 HA HIS 4 -15.305 -2.782 -7.876 1.00 64.25 ATOM 49 CB HIS 4 -16.145 -3.173 -9.803 1.00 74.51 ATOM 50 HB1 HIS 4 -15.769 -3.459 -10.778 1.00 37.49 ATOM 51 HB2 HIS 4 -16.843 -2.356 -9.926 1.00 52.23 ATOM 52 CG HIS 4 -16.911 -4.330 -9.237 1.00 3.42 ATOM 53 ND1 HIS 4 -17.675 -4.238 -8.093 1.00 31.22 ATOM 54 HD1 HIS 4 -17.794 -3.433 -7.547 1.00 53.13 ATOM 55 CD2 HIS 4 -17.028 -5.608 -9.665 1.00 20.43 ATOM 56 HD2 HIS 4 -16.560 -6.036 -10.540 1.00 13.13 ATOM 57 CE1 HIS 4 -18.228 -5.411 -7.840 1.00 70.25 ATOM 58 HE1 HIS 4 -18.878 -5.637 -7.008 1.00 23.25 ATOM 59 NE2 HIS 4 -17.852 -6.260 -8.780 1.00 5.02 ATOM 60 HE2 HIS 4 -18.195 -7.172 -8.887 1.00 37.49 ATOM 61 C HIS 4 -13.780 -3.614 -9.119 1.00 0.31 ATOM 62 O HIS 4 -13.164 -3.612 -10.185 1.00 54.55 ATOM 63 N HIS 5 -13.442 -4.385 -8.090 1.00 73.34 ATOM 64 HN HIS 5 -13.965 -4.336 -7.254 1.00 37.49 ATOM 65 CA HIS 5 -12.304 -5.295 -8.158 1.00 42.53 ATOM 66 HA HIS 5 -12.330 -5.787 -9.127 1.00 2.14 ATOM 67 CB HIS 5 -10.994 -4.517 -8.022 1.00 53.11 ATOM 68 HB1 HIS 5 -10.775 -4.342 -6.976 1.00 37.49 ATOM 69 HB2 HIS 5 -11.096 -3.561 -8.519 1.00 70.10 ATOM 70 CG HIS 5 -9.817 -5.217 -8.628 1.00 4.54 ATOM 71 ND1 HIS 5 -9.281 -6.376 -8.108 1.00 73.31 ATOM 72 HD1 HIS 5 -9.586 -6.837 -7.301 1.00 34.01 ATOM 73 CD2 HIS 5 -9.071 -4.915 -9.717 1.00 13.25 ATOM 74 HD2 HIS 5 -9.208 -4.067 -10.373 1.00 24.44 ATOM 75 CE1 HIS 5 -8.257 -6.757 -8.850 1.00 43.32 ATOM 76 HE1 HIS 5 -7.646 -7.632 -8.683 1.00 35.12 ATOM 77 NE2 HIS 5 -8.109 -5.887 -9.833 1.00 44.02 ATOM 78 HE2 HIS 5 -7.370 -5.883 -10.477 1.00 37.49 ATOM 79 C HIS 5 -12.393 -6.359 -7.069 1.00 2.23 ATOM 80 O HIS 5 -12.816 -6.079 -5.947 1.00 31.24 ATOM 81 N HIS 6 -11.992 -7.580 -7.407 1.00 21.20 ATOM 82 HN HIS 6 -11.656 -7.750 -8.317 1.00 37.49 ATOM 83 CA HIS 6 -12.027 -8.687 -6.457 1.00 42.33 ATOM 84 HA HIS 6 -12.490 -8.342 -5.536 1.00 72.31 ATOM 85 CB HIS 6 -12.865 -9.838 -7.014 1.00 24.20 ATOM 86 HB1 HIS 6 -12.285 -10.404 -7.732 1.00 37.49 ATOM 87 HB2 HIS 6 -13.734 -9.430 -7.512 1.00 43.32 ATOM 88 CG HIS 6 -13.357 -10.784 -5.962 1.00 13.40 ATOM 89 ND1 HIS 6 -13.030 -12.123 -5.941 1.00 72.00 ATOM 90 HD1 HIS 6 -12.460 -12.583 -6.592 1.00 23.22 ATOM 91 CD2 HIS 6 -14.156 -10.576 -4.889 1.00 73.23 ATOM 92 HD2 HIS 6 -14.600 -9.636 -4.593 1.00 3.32 ATOM 93 CE1 HIS 6 -13.608 -12.699 -4.902 1.00 51.11 ATOM 94 HE1 HIS 6 -13.529 -13.742 -4.633 1.00 4.41 ATOM 95 NE2 HIS 6 -14.297 -11.782 -4.247 1.00 50.22 ATOM 96 HE2 HIS 6 -14.896 -11.958 -3.492 1.00 37.49 ATOM 97 C HIS 6 -10.617 -9.175 -6.140 1.00 65.01 ATOM 98 O HIS 6 -9.962 -9.799 -6.976 1.00 2.20 ATOM 99 N HIS 7 -10.154 -8.886 -4.928 1.00 32.54 ATOM 100 HN HIS 7 -10.733 -8.411 -4.290 1.00 37.49 ATOM 101 CA HIS 7 -8.821 -9.296 -4.500 1.00 71.23 ATOM 102 HA HIS 7 -8.281 -9.699 -5.350 1.00 64.31 ATOM 103 CB HIS 7 -8.041 -8.094 -3.968 1.00 12.23 ATOM 104 HB1 HIS 7 -7.803 -7.441 -4.795 1.00 37.49 ATOM 105 HB2 HIS 7 -7.119 -8.428 -3.510 1.00 25.24 ATOM 106 CG HIS 7 -8.797 -7.291 -2.954 1.00 51.33 ATOM 107 ND1 HIS 7 -9.282 -6.025 -3.207 1.00 3.33 ATOM 108 HD1 HIS 7 -9.186 -5.533 -4.049 1.00 5.03 ATOM 109 CD2 HIS 7 -9.153 -7.581 -1.681 1.00 24.11 ATOM 110 HD2 HIS 7 -8.939 -8.497 -1.149 1.00 64.54 ATOM 111 CE1 HIS 7 -9.901 -5.570 -2.132 1.00 20.31 ATOM 112 HE1 HIS 7 -10.379 -4.606 -2.038 1.00 43.33 ATOM 113 NE2 HIS 7 -9.837 -6.496 -1.192 1.00 13.02 ATOM 114 HE2 HIS 7 -10.294 -6.454 -0.326 1.00 37.49 ATOM 115 C HIS 7 -8.903 -10.379 -3.429 1.00 31.41 ATOM 116 O HIS 7 -9.906 -10.495 -2.724 1.00 11.02 ATOM 117 N HIS 8 -7.842 -11.172 -3.313 1.00 0.43 ATOM 118 HN HIS 8 -7.072 -11.042 -3.917 1.00 37.49 ATOM 119 CA HIS 8 -7.794 -12.246 -2.327 1.00 53.13 ATOM 120 HA HIS 8 -8.358 -11.936 -1.453 1.00 3.14 ATOM 121 CB HIS 8 -8.430 -13.516 -2.895 1.00 3.44 ATOM 122 HB1 HIS 8 -9.470 -13.318 -3.110 1.00 37.49 ATOM 123 HB2 HIS 8 -8.368 -14.310 -2.163 1.00 62.51 ATOM 124 CG HIS 8 -7.785 -13.995 -4.159 1.00 3.24 ATOM 125 ND1 HIS 8 -8.086 -13.477 -5.400 1.00 44.45 ATOM 126 HD1 HIS 8 -8.734 -12.764 -5.581 1.00 33.44 ATOM 127 CD2 HIS 8 -6.848 -14.950 -4.368 1.00 13.42 ATOM 128 HD2 HIS 8 -6.380 -15.565 -3.612 1.00 22.52 ATOM 129 CE1 HIS 8 -7.364 -14.093 -6.319 1.00 44.01 ATOM 130 HE1 HIS 8 -7.390 -13.895 -7.380 1.00 61.34 ATOM 131 NE2 HIS 8 -6.604 -14.991 -5.718 1.00 61.25 ATOM 132 HE2 HIS 8 -5.907 -15.524 -6.155 1.00 37.49 ATOM 133 C HIS 8 -6.357 -12.529 -1.901 1.00 42.12 ATOM 134 O HIS 8 -5.439 -12.498 -2.721 1.00 2.14 ATOM 135 N SER 9 -6.169 -12.804 -0.614 1.00 53.23 ATOM 136 HN SER 9 -6.945 -12.833 -0.004 1.00 37.49 ATOM 137 CA SER 9 -4.843 -13.088 -0.079 1.00 11.43 ATOM 138 HA SER 9 -4.100 -12.648 -0.737 1.00 33.34 ATOM 139 CB SER 9 -4.683 -12.456 1.306 1.00 73.52 ATOM 140 HB1 SER 9 -5.344 -12.945 2.010 1.00 37.49 ATOM 141 HB2 SER 9 -4.936 -11.407 1.249 1.00 5.43 ATOM 142 OG SER 9 -3.350 -12.576 1.770 1.00 22.41 ATOM 143 HG SER 9 -2.804 -11.896 1.366 1.00 0.33 ATOM 144 C SER 9 -4.601 -14.592 0.005 1.00 52.35 ATOM 145 O SER 9 -5.481 -15.352 0.409 1.00 73.33 ATOM 146 N HIS 10 -3.401 -15.014 -0.381 1.00 53.02 ATOM 147 HN HIS 10 -2.736 -14.362 -0.706 1.00 37.49 ATOM 148 CA HIS 10 -3.042 -16.427 -0.350 1.00 62.31 ATOM 149 HA HIS 10 -3.713 -16.954 0.316 1.00 35.02 ATOM 150 CB HIS 10 -3.184 -17.042 -1.743 1.00 20.02 ATOM 151 HB1 HIS 10 -4.231 -17.063 -2.008 1.00 37.49 ATOM 152 HB2 HIS 10 -2.804 -18.055 -1.736 1.00 50.51 ATOM 153 CG HIS 10 -2.459 -16.281 -2.810 1.00 71.42 ATOM 154 ND1 HIS 10 -1.311 -16.745 -3.416 1.00 44.25 ATOM 155 HD1 HIS 10 -0.862 -17.593 -3.218 1.00 70.34 ATOM 156 CD2 HIS 10 -2.727 -15.083 -3.380 1.00 63.33 ATOM 157 HD2 HIS 10 -3.559 -14.434 -3.147 1.00 53.03 ATOM 158 CE1 HIS 10 -0.902 -15.864 -4.312 1.00 51.21 ATOM 159 HE1 HIS 10 -0.029 -15.960 -4.940 1.00 3.33 ATOM 160 NE2 HIS 10 -1.744 -14.846 -4.310 1.00 74.42 ATOM 161 HE2 HIS 10 -1.729 -14.099 -4.945 1.00 37.49 ATOM 162 C HIS 10 -1.615 -16.614 0.158 1.00 34.01 ATOM 163 O HIS 10 -0.705 -16.969 -0.591 1.00 51.20 ATOM 164 N PRO 11 -1.414 -16.369 1.461 1.00 31.24 ATOM 165 CA PRO 11 -0.101 -16.504 2.099 1.00 42.45 ATOM 166 HA PRO 11 0.650 -15.927 1.576 1.00 3.05 ATOM 167 CB PRO 11 -0.321 -15.911 3.493 1.00 64.32 ATOM 168 HB1 PRO 11 -0.047 -14.867 3.486 1.00 37.49 ATOM 169 HB2 PRO 11 0.266 -16.433 4.232 1.00 61.23 ATOM 170 CG PRO 11 -1.778 -16.079 3.750 1.00 33.43 ATOM 171 HG1 PRO 11 -2.123 -15.309 4.424 1.00 37.49 ATOM 172 HG2 PRO 11 -1.967 -17.057 4.168 1.00 52.43 ATOM 173 CD PRO 11 -2.453 -15.943 2.414 1.00 54.24 ATOM 174 HD1 PRO 11 -2.741 -14.918 2.239 1.00 37.49 ATOM 175 HD2 PRO 11 -3.314 -16.592 2.369 1.00 61.25 ATOM 176 C PRO 11 0.347 -17.957 2.202 1.00 22.50 ATOM 177 O PRO 11 -0.475 -18.861 2.343 1.00 71.52 ATOM 178 N ASN 12 1.657 -18.175 2.132 1.00 55.13 ATOM 179 HN ASN 12 2.232 -17.407 2.020 1.00 37.49 ATOM 180 CA ASN 12 2.214 -19.520 2.218 1.00 53.04 ATOM 181 HA ASN 12 1.698 -20.148 1.503 1.00 33.52 ATOM 182 CB ASN 12 3.703 -19.501 1.867 1.00 72.04 ATOM 183 HB1 ASN 12 3.802 -19.357 0.800 1.00 37.49 ATOM 184 HB2 ASN 12 4.171 -20.437 2.131 1.00 32.35 ATOM 185 CG ASN 12 4.447 -18.379 2.565 1.00 21.40 ATOM 186 OD1 ASN 12 5.046 -18.580 3.622 1.00 72.42 ATOM 187 ND2 ASN 12 4.413 -17.190 1.976 1.00 55.22 ATOM 188 HD21 ASN 12 3.930 -17.086 1.125 1.00 33.42 ATOM 189 HD22 ASN 12 4.878 -16.450 2.420 1.00 31.14 ATOM 190 C ASN 12 2.016 -20.102 3.614 1.00 61.53 ATOM 191 O ASN 12 1.425 -19.465 4.484 1.00 33.14 ATOM 192 N GLU 13 2.516 -21.317 3.819 1.00 63.15 ATOM 193 HN GLU 13 2.956 -21.795 3.078 1.00 37.49 ATOM 194 CA GLU 13 2.394 -21.985 5.109 1.00 62.11 ATOM 195 HA GLU 13 1.356 -21.994 5.381 1.00 22.23 ATOM 196 CB GLU 13 2.886 -23.431 5.008 1.00 11.44 ATOM 197 HB1 GLU 13 3.895 -23.426 4.618 1.00 37.49 ATOM 198 HB2 GLU 13 2.247 -23.968 4.322 1.00 71.43 ATOM 199 CG GLU 13 2.887 -24.167 6.338 1.00 43.24 ATOM 200 HG1 GLU 13 1.885 -24.216 6.714 1.00 37.49 ATOM 201 HG2 GLU 13 3.505 -23.632 7.042 1.00 61.03 ATOM 202 CD GLU 13 3.438 -25.575 6.224 1.00 4.10 ATOM 203 OE1 GLU 13 3.431 -26.125 5.103 1.00 62.41 ATOM 204 OE2 GLU 13 3.876 -26.126 7.255 1.00 24.22 ATOM 205 C GLU 13 3.183 -21.242 6.183 1.00 12.42 ATOM 206 O GLU 13 2.704 -21.056 7.302 1.00 64.54 ATOM 207 N GLU 14 4.394 -20.819 5.834 1.00 31.01 ATOM 208 HN GLU 14 4.729 -21.000 4.924 1.00 37.49 ATOM 209 CA GLU 14 5.249 -20.097 6.769 1.00 63.32 ATOM 210 HA GLU 14 5.295 -20.660 7.694 1.00 0.21 ATOM 211 CB GLU 14 6.664 -19.965 6.202 1.00 42.42 ATOM 212 HB1 GLU 14 7.247 -19.307 6.836 1.00 37.49 ATOM 213 HB2 GLU 14 6.598 -19.524 5.220 1.00 43.22 ATOM 214 CG GLU 14 7.393 -21.291 6.067 1.00 72.21 ATOM 215 HG1 GLU 14 8.128 -21.197 5.281 1.00 37.49 ATOM 216 HG2 GLU 14 6.688 -22.068 5.800 1.00 41.45 ATOM 217 CD GLU 14 8.107 -21.697 7.342 1.00 50.34 ATOM 218 OE1 GLU 14 8.782 -20.836 7.944 1.00 40.13 ATOM 219 OE2 GLU 14 7.990 -22.876 7.737 1.00 42.31 ATOM 220 C GLU 14 4.679 -18.715 7.072 1.00 42.54 ATOM 221 O GLU 14 4.895 -18.165 8.151 1.00 23.34 ATOM 222 N ALA 15 3.950 -18.158 6.110 1.00 44.13 ATOM 223 HN ALA 15 3.815 -18.635 5.259 1.00 37.49 ATOM 224 CA ALA 15 3.348 -16.841 6.273 1.00 51.31 ATOM 225 HA ALA 15 4.100 -16.166 6.666 1.00 55.02 ATOM 226 CB ALA 15 2.895 -16.297 4.926 1.00 33.11 ATOM 227 HB1 ALA 15 2.336 -15.380 5.062 1.00 73.03 ATOM 228 HB2 ALA 15 2.276 -17.031 4.435 1.00 30.03 ATOM 229 HB3 ALA 15 3.762 -16.097 4.314 1.00 21.20 ATOM 230 C ALA 15 2.176 -16.890 7.247 1.00 32.12 ATOM 231 O ALA 15 2.063 -16.050 8.140 1.00 22.55 ATOM 232 N ARG 16 1.305 -17.878 7.069 1.00 62.24 ATOM 233 HN ARG 16 1.443 -18.504 6.322 1.00 37.49 ATOM 234 CA ARG 16 0.140 -18.035 7.931 1.00 23.31 ATOM 235 HA ARG 16 -0.371 -17.082 7.990 1.00 73.40 ATOM 236 CB ARG 16 -0.821 -19.070 7.343 1.00 65.21 ATOM 237 HB1 ARG 16 -1.139 -18.726 6.368 1.00 37.49 ATOM 238 HB2 ARG 16 -1.689 -19.150 7.986 1.00 63.13 ATOM 239 CG ARG 16 -0.206 -20.451 7.185 1.00 20.53 ATOM 240 HG1 ARG 16 0.119 -20.818 8.144 1.00 37.49 ATOM 241 HG2 ARG 16 0.622 -20.383 6.523 1.00 21.03 ATOM 242 CD ARG 16 -1.204 -21.443 6.607 1.00 0.52 ATOM 243 HD1 ARG 16 -1.465 -21.109 5.612 1.00 37.49 ATOM 244 HD2 ARG 16 -2.090 -21.458 7.229 1.00 60.42 ATOM 245 NE ARG 16 -0.655 -22.794 6.538 1.00 74.24 ATOM 246 HE ARG 16 0.136 -22.997 7.087 1.00 13.03 ATOM 247 CZ ARG 16 -1.172 -23.759 5.785 1.00 61.21 ATOM 248 NH1 ARG 16 -2.244 -23.522 5.041 1.00 23.41 ATOM 249 HH11 ARG 16 -2.686 -22.629 5.029 1.00 31.30 ATOM 250 HH12 ARG 16 -2.623 -24.257 4.474 1.00 20.53 ATOM 251 NH2 ARG 16 -0.616 -24.964 5.775 1.00 41.13 ATOM 252 HH21 ARG 16 0.186 -25.155 6.334 1.00 63.01 ATOM 253 HH22 ARG 16 -1.002 -25.690 5.203 1.00 33.32 ATOM 254 C ARG 16 0.558 -18.455 9.338 1.00 51.34 ATOM 255 O ARG 16 -0.042 -18.032 10.327 1.00 42.21 ATOM 256 N LEU 17 1.589 -19.289 9.419 1.00 53.40 ATOM 257 HN LEU 17 2.028 -19.605 8.594 1.00 37.49 ATOM 258 CA LEU 17 2.087 -19.766 10.704 1.00 32.23 ATOM 259 HA LEU 17 1.253 -20.171 11.263 1.00 2.33 ATOM 260 CB LEU 17 3.119 -20.875 10.493 1.00 4.13 ATOM 261 HB1 LEU 17 3.798 -20.554 9.713 1.00 37.49 ATOM 262 HB2 LEU 17 2.594 -21.755 10.144 1.00 63.31 ATOM 263 CG LEU 17 3.950 -21.261 11.718 1.00 15.20 ATOM 264 HG LEU 17 4.525 -20.409 12.051 1.00 61.05 ATOM 265 CD1 LEU 17 3.045 -21.693 12.862 1.00 52.24 ATOM 266 HD11 LEU 17 2.377 -22.461 12.519 1.00 14.35 ATOM 267 HD12 LEU 17 2.474 -20.852 13.217 1.00 22.51 ATOM 268 HD13 LEU 17 3.653 -22.069 13.654 1.00 53.30 ATOM 269 CD2 LEU 17 4.934 -22.367 11.368 1.00 44.33 ATOM 270 HD21 LEU 17 5.409 -22.740 12.266 1.00 21.42 ATOM 271 HD22 LEU 17 5.691 -21.970 10.708 1.00 54.30 ATOM 272 HD23 LEU 17 4.422 -23.171 10.871 1.00 11.12 ATOM 273 C LEU 17 2.705 -18.626 11.506 1.00 1.35 ATOM 274 O LEU 17 2.498 -18.520 12.715 1.00 21.35 ATOM 275 N ASP 18 3.463 -17.773 10.825 1.00 32.23 ATOM 276 HN ASP 18 3.610 -17.917 9.860 1.00 37.49 ATOM 277 CA ASP 18 4.109 -16.638 11.474 1.00 51.14 ATOM 278 HA ASP 18 4.841 -17.036 12.164 1.00 43.01 ATOM 279 CB ASP 18 4.809 -15.761 10.435 1.00 40.43 ATOM 280 HB1 ASP 18 4.080 -15.161 9.905 1.00 37.49 ATOM 281 HB2 ASP 18 5.322 -16.394 9.729 1.00 61.00 ATOM 282 CG ASP 18 5.837 -14.835 11.056 1.00 34.32 ATOM 283 OD1 ASP 18 6.205 -15.059 12.228 1.00 23.44 ATOM 284 OD2 ASP 18 6.273 -13.888 10.370 1.00 12.32 ATOM 285 C ASP 18 3.095 -15.810 12.256 1.00 14.33 ATOM 286 O ASP 18 3.414 -15.248 13.304 1.00 2.24 ATOM 287 N ILE 19 1.872 -15.738 11.740 1.00 64.10 ATOM 288 HN ILE 19 1.672 -16.208 10.901 1.00 37.49 ATOM 289 CA ILE 19 0.812 -14.979 12.391 1.00 41.33 ATOM 290 HA ILE 19 1.156 -13.958 12.515 1.00 1.13 ATOM 291 CB ILE 19 -0.470 -14.957 11.537 1.00 2.23 ATOM 292 HB ILE 19 -0.820 -15.968 11.437 1.00 11.14 ATOM 293 CG1 ILE 19 -0.172 -14.397 10.145 1.00 60.54 ATOM 294 HG11 ILE 19 0.647 -14.931 9.701 1.00 37.49 ATOM 295 HG12 ILE 19 0.095 -13.354 10.226 1.00 30.12 ATOM 296 CG2 ILE 19 -1.550 -14.134 12.225 1.00 64.44 ATOM 297 HG21 ILE 19 -1.815 -14.588 13.162 1.00 3.24 ATOM 298 HG22 ILE 19 -2.434 -14.090 11.609 1.00 30.21 ATOM 299 HG23 ILE 19 -1.188 -13.131 12.402 1.00 72.14 ATOM 300 CD1 ILE 19 -1.341 -14.499 9.190 1.00 62.41 ATOM 301 HD11 ILE 19 -1.042 -14.124 8.222 1.00 75.30 ATOM 302 HD12 ILE 19 -2.170 -13.915 9.555 1.00 2.31 ATOM 303 HD13 ILE 19 -1.636 -15.530 9.094 1.00 62.43 ATOM 304 C ILE 19 0.485 -15.556 13.764 1.00 65.12 ATOM 305 O ILE 19 0.342 -14.820 14.741 1.00 53.11 ATOM 306 N LEU 20 0.371 -16.878 13.832 1.00 43.24 ATOM 307 HN LEU 20 0.492 -17.418 13.014 1.00 37.49 ATOM 308 CA LEU 20 0.064 -17.556 15.086 1.00 14.21 ATOM 309 HA LEU 20 -0.828 -17.106 15.505 1.00 3.51 ATOM 310 CB LEU 20 -0.205 -19.040 14.834 1.00 63.52 ATOM 311 HB1 LEU 20 -0.194 -19.549 15.793 1.00 37.49 ATOM 312 HB2 LEU 20 0.624 -19.425 14.253 1.00 42.12 ATOM 313 CG LEU 20 -1.517 -19.374 14.123 1.00 62.10 ATOM 314 HG LEU 20 -2.070 -18.472 13.960 1.00 30.44 ATOM 315 CD1 LEU 20 -1.244 -20.013 12.770 1.00 5.31 ATOM 316 HD11 LEU 20 -0.626 -19.358 12.181 1.00 62.23 ATOM 317 HD12 LEU 20 -2.178 -20.182 12.253 1.00 1.25 ATOM 318 HD13 LEU 20 -0.734 -20.957 12.908 1.00 25.12 ATOM 319 CD2 LEU 20 -2.372 -20.291 14.985 1.00 61.51 ATOM 320 HD21 LEU 20 -1.847 -21.220 15.164 1.00 10.45 ATOM 321 HD22 LEU 20 -3.305 -20.498 14.480 1.00 43.04 ATOM 322 HD23 LEU 20 -2.580 -19.809 15.930 1.00 64.34 ATOM 323 C LEU 20 1.205 -17.396 16.085 1.00 32.25 ATOM 324 O LEU 20 0.982 -17.336 17.295 1.00 71.51 ATOM 325 N LYS 21 2.428 -17.326 15.572 1.00 3.41 ATOM 326 HN LYS 21 2.554 -17.395 14.597 1.00 37.49 ATOM 327 CA LYS 21 3.606 -17.169 16.418 1.00 74.10 ATOM 328 HA LYS 21 3.588 -17.947 17.172 1.00 10.11 ATOM 329 CB LYS 21 4.881 -17.310 15.584 1.00 52.03 ATOM 330 HB1 LYS 21 5.712 -16.869 16.124 1.00 37.49 ATOM 331 HB2 LYS 21 4.752 -16.780 14.653 1.00 30.25 ATOM 332 CG LYS 21 5.245 -18.750 15.267 1.00 34.33 ATOM 333 HG1 LYS 21 4.442 -19.194 14.696 1.00 37.49 ATOM 334 HG2 LYS 21 5.363 -19.286 16.200 1.00 74.11 ATOM 335 CD LYS 21 6.531 -18.837 14.463 1.00 11.20 ATOM 336 HD1 LYS 21 7.226 -18.077 14.801 1.00 37.49 ATOM 337 HD2 LYS 21 6.303 -18.677 13.421 1.00 51.52 ATOM 338 CE LYS 21 7.193 -20.198 14.615 1.00 52.22 ATOM 339 HE1 LYS 21 6.550 -20.948 14.178 1.00 37.49 ATOM 340 HE2 LYS 21 7.330 -20.410 15.667 1.00 44.21 ATOM 341 NZ LYS 21 8.521 -20.247 13.942 1.00 15.03 ATOM 342 HZ1 LYS 21 8.946 -21.188 14.065 1.00 72.54 ATOM 343 HZ2 LYS 21 9.162 -19.537 14.352 1.00 15.43 ATOM 344 HZ3 LYS 21 8.418 -20.058 12.923 1.00 43.22 ATOM 345 C LYS 21 3.593 -15.816 17.123 1.00 64.44 ATOM 346 O LYS 21 3.978 -15.710 18.287 1.00 1.55 ATOM 347 N ILE 22 3.148 -14.787 16.410 1.00 63.11 ATOM 348 HN ILE 22 2.850 -14.930 15.481 1.00 37.49 ATOM 349 CA ILE 22 3.084 -13.442 16.969 1.00 72.53 ATOM 350 HA ILE 22 4.050 -13.207 17.403 1.00 45.03 ATOM 351 CB ILE 22 2.777 -12.395 15.882 1.00 61.21 ATOM 352 HB ILE 22 1.813 -12.632 15.449 1.00 41.03 ATOM 353 CG1 ILE 22 3.846 -12.435 14.788 1.00 23.12 ATOM 354 HG11 ILE 22 4.121 -13.450 14.569 1.00 37.49 ATOM 355 HG12 ILE 22 4.729 -11.908 15.125 1.00 74.53 ATOM 356 CG2 ILE 22 2.690 -11.006 16.495 1.00 43.51 ATOM 357 HG21 ILE 22 3.577 -10.806 17.081 1.00 22.43 ATOM 358 HG22 ILE 22 1.817 -10.934 17.126 1.00 10.11 ATOM 359 HG23 ILE 22 2.611 -10.266 15.710 1.00 73.32 ATOM 360 CD1 ILE 22 3.406 -11.797 13.489 1.00 21.22 ATOM 361 HD11 ILE 22 3.196 -10.751 13.653 1.00 33.30 ATOM 362 HD12 ILE 22 2.516 -12.291 13.128 1.00 74.23 ATOM 363 HD13 ILE 22 4.193 -11.894 12.756 1.00 3.41 ATOM 364 C ILE 22 2.023 -13.351 18.061 1.00 62.24 ATOM 365 O ILE 22 2.259 -12.776 19.124 1.00 70.13 ATOM 366 N HIS 23 0.854 -13.924 17.792 1.00 41.12 ATOM 367 HN HIS 23 0.720 -14.369 16.921 1.00 37.49 ATOM 368 CA HIS 23 -0.243 -13.910 18.753 1.00 51.43 ATOM 369 HA HIS 23 -0.360 -12.897 19.122 1.00 54.14 ATOM 370 CB HIS 23 -1.544 -14.347 18.080 1.00 73.24 ATOM 371 HB1 HIS 23 -2.290 -14.561 18.836 1.00 37.49 ATOM 372 HB2 HIS 23 -1.361 -15.243 17.504 1.00 12.01 ATOM 373 CG HIS 23 -2.121 -13.313 17.162 1.00 32.51 ATOM 374 ND1 HIS 23 -2.512 -12.062 17.589 1.00 2.12 ATOM 375 HD1 HIS 23 -2.456 -11.728 18.508 1.00 25.05 ATOM 376 CD2 HIS 23 -2.371 -13.351 15.832 1.00 12.43 ATOM 377 HD2 HIS 23 -2.194 -14.186 15.175 1.00 3.15 ATOM 378 CE1 HIS 23 -2.979 -11.375 16.562 1.00 2.43 ATOM 379 HE1 HIS 23 -3.357 -10.364 16.598 1.00 1.13 ATOM 380 NE2 HIS 23 -2.904 -12.134 15.484 1.00 11.21 ATOM 381 HE2 HIS 23 -3.268 -11.903 14.604 1.00 37.49 ATOM 382 C HIS 23 0.061 -14.820 19.939 1.00 63.05 ATOM 383 O HIS 23 -0.439 -14.605 21.043 1.00 64.43 ATOM 384 N SER 24 0.883 -15.837 19.702 1.00 64.33 ATOM 385 HN SER 24 1.254 -15.969 18.800 1.00 37.49 ATOM 386 CA SER 24 1.251 -16.783 20.749 1.00 34.10 ATOM 387 HA SER 24 0.370 -17.000 21.342 1.00 31.14 ATOM 388 CB SER 24 1.755 -18.089 20.132 1.00 30.11 ATOM 389 HB1 SER 24 1.084 -18.406 19.353 1.00 37.49 ATOM 390 HB2 SER 24 1.783 -18.834 20.890 1.00 4.23 ATOM 391 OG SER 24 3.055 -17.929 19.591 1.00 31.01 ATOM 392 HG SER 24 3.405 -18.787 19.340 1.00 14.21 ATOM 393 C SER 24 2.320 -16.193 21.663 1.00 30.14 ATOM 394 O SER 24 2.380 -16.510 22.851 1.00 25.43 ATOM 395 N ARG 25 3.162 -15.333 21.100 1.00 11.32 ATOM 396 HN ARG 25 3.085 -15.131 20.139 1.00 37.49 ATOM 397 CA ARG 25 4.230 -14.699 21.863 1.00 2.42 ATOM 398 HA ARG 25 4.921 -15.472 22.174 1.00 25.15 ATOM 399 CB ARG 25 4.966 -13.674 20.997 1.00 34.12 ATOM 400 HB1 ARG 25 5.346 -12.875 21.624 1.00 37.49 ATOM 401 HB2 ARG 25 4.275 -13.252 20.286 1.00 75.20 ATOM 402 CG ARG 25 6.143 -14.256 20.233 1.00 64.22 ATOM 403 HG1 ARG 25 5.807 -15.095 19.648 1.00 37.49 ATOM 404 HG2 ARG 25 6.886 -14.588 20.943 1.00 13.40 ATOM 405 CD ARG 25 6.775 -13.224 19.313 1.00 45.43 ATOM 406 HD1 ARG 25 7.441 -12.603 19.894 1.00 37.49 ATOM 407 HD2 ARG 25 5.988 -12.611 18.889 1.00 42.22 ATOM 408 NE ARG 25 7.530 -13.846 18.228 1.00 3.13 ATOM 409 HE ARG 25 7.779 -14.795 18.325 1.00 31.01 ATOM 410 CZ ARG 25 7.901 -13.202 17.127 1.00 31.11 ATOM 411 NH1 ARG 25 7.588 -11.924 16.966 1.00 42.25 ATOM 412 HH11 ARG 25 7.077 -11.419 17.657 1.00 11.44 ATOM 413 HH12 ARG 25 7.870 -11.449 16.130 1.00 75.02 ATOM 414 NH2 ARG 25 8.586 -13.837 16.185 1.00 62.02 ATOM 415 HH21 ARG 25 8.825 -14.803 16.301 1.00 11.41 ATOM 416 HH22 ARG 25 8.867 -13.353 15.353 1.00 4.25 ATOM 417 C ARG 25 3.677 -14.020 23.113 1.00 31.31 ATOM 418 O ARG 25 4.370 -13.895 24.123 1.00 12.40 ATOM 419 N LYS 26 2.424 -13.584 23.038 1.00 61.13 ATOM 420 HN LYS 26 1.921 -13.667 22.197 1.00 37.49 ATOM 421 CA LYS 26 1.776 -12.919 24.162 1.00 60.12 ATOM 422 HA LYS 26 2.527 -12.379 24.729 1.00 31.24 ATOM 423 CB LYS 26 0.733 -11.920 23.657 1.00 14.32 ATOM 424 HB1 LYS 26 0.140 -11.577 24.499 1.00 37.49 ATOM 425 HB2 LYS 26 0.084 -12.423 22.954 1.00 33.43 ATOM 426 CG LYS 26 1.335 -10.710 22.964 1.00 53.12 ATOM 427 HG1 LYS 26 1.508 -10.960 21.926 1.00 37.49 ATOM 428 HG2 LYS 26 2.275 -10.451 23.436 1.00 31.32 ATOM 429 CD LYS 26 0.410 -9.506 23.039 1.00 21.52 ATOM 430 HD1 LYS 26 0.326 -9.194 24.070 1.00 37.49 ATOM 431 HD2 LYS 26 -0.567 -9.781 22.664 1.00 35.13 ATOM 432 CE LYS 26 0.940 -8.344 22.215 1.00 43.44 ATOM 433 HE1 LYS 26 2.014 -8.272 22.332 1.00 37.49 ATOM 434 HE2 LYS 26 0.484 -7.434 22.576 1.00 33.42 ATOM 435 NZ LYS 26 0.617 -8.496 20.769 1.00 41.10 ATOM 436 HZ1 LYS 26 0.992 -7.686 20.235 1.00 34.31 ATOM 437 HZ2 LYS 26 -0.414 -8.537 20.630 1.00 2.33 ATOM 438 HZ3 LYS 26 1.042 -9.369 20.393 1.00 32.31 ATOM 439 C LYS 26 1.116 -13.935 25.088 1.00 33.40 ATOM 440 O LYS 26 0.965 -13.692 26.285 1.00 51.22 ATOM 441 N MET 27 0.726 -15.075 24.527 1.00 55.15 ATOM 442 HN MET 27 0.837 -15.211 23.567 1.00 37.49 ATOM 443 CA MET 27 0.084 -16.129 25.304 1.00 51.02 ATOM 444 HA MET 27 -0.312 -15.705 26.221 1.00 15.35 ATOM 445 CB MET 27 -1.072 -16.744 24.512 1.00 10.04 ATOM 446 HB1 MET 27 -1.345 -17.697 24.941 1.00 37.49 ATOM 447 HB2 MET 27 -0.744 -16.908 23.495 1.00 70.33 ATOM 448 CG MET 27 -2.312 -15.866 24.467 1.00 33.33 ATOM 449 HG1 MET 27 -2.247 -15.222 23.602 1.00 37.49 ATOM 450 HG2 MET 27 -2.359 -15.259 25.362 1.00 61.45 ATOM 451 SD MET 27 -3.837 -16.823 24.356 1.00 24.23 ATOM 452 CE MET 27 -3.435 -17.947 23.020 1.00 5.45 ATOM 453 HE1 MET 27 -4.327 -18.473 22.712 1.00 24.02 ATOM 454 HE2 MET 27 -2.697 -18.659 23.357 1.00 35.45 ATOM 455 HE3 MET 27 -3.041 -17.388 22.185 1.00 2.25 ATOM 456 C MET 27 1.088 -17.212 25.684 1.00 63.21 ATOM 457 O MET 27 2.276 -17.103 25.383 1.00 22.20 ATOM 458 N ASN 28 0.603 -18.257 26.347 1.00 11.20 ATOM 459 HN ASN 28 -0.351 -18.290 26.588 1.00 37.49 ATOM 460 CA ASN 28 1.459 -19.359 26.769 1.00 61.41 ATOM 461 HA ASN 28 2.499 -19.070 26.644 1.00 3.41 ATOM 462 CB ASN 28 1.218 -19.684 28.244 1.00 34.44 ATOM 463 HB1 ASN 28 1.662 -20.640 28.492 1.00 37.49 ATOM 464 HB2 ASN 28 0.160 -19.726 28.413 1.00 10.12 ATOM 465 CG ASN 28 1.801 -18.635 29.171 1.00 52.34 ATOM 466 OD1 ASN 28 2.628 -17.820 28.761 1.00 53.21 ATOM 467 ND2 ASN 28 1.372 -18.650 30.427 1.00 35.31 ATOM 468 HD21 ASN 28 0.716 -19.323 30.683 1.00 52.31 ATOM 469 HD22 ASN 28 1.734 -17.982 31.047 1.00 34.42 ATOM 470 C ASN 28 1.209 -20.599 25.916 1.00 21.40 ATOM 471 O ASN 28 0.086 -20.848 25.476 1.00 53.41 ATOM 472 N LEU 29 2.263 -21.375 25.687 1.00 73.31 ATOM 473 HN LEU 29 3.143 -21.124 26.054 1.00 37.49 ATOM 474 CA LEU 29 2.158 -22.591 24.887 1.00 3.11 ATOM 475 HA LEU 29 1.116 -22.834 24.761 1.00 40.33 ATOM 476 CB LEU 29 2.772 -22.369 23.504 1.00 42.03 ATOM 477 HB1 LEU 29 2.367 -23.120 22.846 1.00 37.49 ATOM 478 HB2 LEU 29 3.845 -22.522 23.577 1.00 5.25 ATOM 479 CG LEU 29 2.532 -20.996 22.875 1.00 3.23 ATOM 480 HG LEU 29 2.804 -20.224 23.578 1.00 12.42 ATOM 481 CD1 LEU 29 3.402 -20.814 21.641 1.00 73.52 ATOM 482 HD11 LEU 29 4.394 -21.205 21.829 1.00 14.23 ATOM 483 HD12 LEU 29 3.487 -19.767 21.415 1.00 50.12 ATOM 484 HD13 LEU 29 2.969 -21.335 20.796 1.00 5.02 ATOM 485 CD2 LEU 29 1.062 -20.819 22.525 1.00 30.11 ATOM 486 HD21 LEU 29 0.433 -21.342 23.227 1.00 33.55 ATOM 487 HD22 LEU 29 0.873 -21.205 21.536 1.00 55.13 ATOM 488 HD23 LEU 29 0.816 -19.768 22.550 1.00 23.41 ATOM 489 C LEU 29 2.849 -23.760 25.581 1.00 24.31 ATOM 490 O LEU 29 3.891 -23.592 26.216 1.00 22.51 ATOM 491 N THR 30 2.264 -24.947 25.454 1.00 33.02 ATOM 492 HN THR 30 1.430 -25.021 24.932 1.00 37.49 ATOM 493 CA THR 30 2.823 -26.145 26.068 1.00 50.22 ATOM 494 HA THR 30 2.739 -26.042 27.141 1.00 62.12 ATOM 495 CB THR 30 2.050 -27.407 25.642 1.00 64.45 ATOM 496 HB THR 30 1.009 -27.256 25.857 1.00 62.52 ATOM 497 OG1 THR 30 2.518 -28.541 26.381 1.00 63.02 ATOM 498 HG1 THR 30 2.112 -28.549 27.252 1.00 12.20 ATOM 499 CG2 THR 30 2.214 -27.665 24.151 1.00 3.32 ATOM 500 HG21 THR 30 1.807 -26.832 23.603 1.00 13.35 ATOM 501 HG22 THR 30 1.669 -28.560 23.887 1.00 21.14 ATOM 502 HG23 THR 30 3.253 -27.799 23.896 1.00 33.11 ATOM 503 C THR 30 4.293 -26.315 25.702 1.00 0.21 ATOM 504 O THR 30 4.789 -25.678 24.772 1.00 12.25 ATOM 505 N ARG 31 4.985 -27.178 26.438 1.00 2.13 ATOM 506 HN ARG 31 4.529 -27.671 27.162 1.00 37.49 ATOM 507 CA ARG 31 6.400 -27.431 26.191 1.00 14.11 ATOM 508 HA ARG 31 6.878 -26.488 25.936 1.00 72.43 ATOM 509 CB ARG 31 7.066 -27.995 27.447 1.00 32.23 ATOM 510 HB1 ARG 31 8.012 -28.448 27.173 1.00 37.49 ATOM 511 HB2 ARG 31 6.432 -28.763 27.870 1.00 22.23 ATOM 512 CG ARG 31 7.357 -26.945 28.506 1.00 3.43 ATOM 513 HG1 ARG 31 7.680 -26.027 28.031 1.00 37.49 ATOM 514 HG2 ARG 31 8.148 -27.313 29.144 1.00 1.41 ATOM 515 CD ARG 31 6.134 -26.666 29.366 1.00 41.43 ATOM 516 HD1 ARG 31 6.491 -26.405 30.352 1.00 37.49 ATOM 517 HD2 ARG 31 5.515 -27.553 29.436 1.00 74.20 ATOM 518 NE ARG 31 5.334 -25.564 28.837 1.00 35.32 ATOM 519 HE ARG 31 5.463 -25.308 27.901 1.00 72.00 ATOM 520 CZ ARG 31 4.465 -24.872 29.565 1.00 10.44 ATOM 521 NH1 ARG 31 4.286 -25.165 30.846 1.00 3.51 ATOM 522 HH11 ARG 31 4.787 -25.903 31.290 1.00 33.14 ATOM 523 HH12 ARG 31 3.630 -24.633 31.386 1.00 45.44 ATOM 524 NH2 ARG 31 3.773 -23.883 29.013 1.00 64.22 ATOM 525 HH21 ARG 31 3.895 -23.663 28.049 1.00 73.33 ATOM 526 HH22 ARG 31 3.170 -23.328 29.573 1.00 40.35 ATOM 527 C ARG 31 6.583 -28.399 25.026 1.00 21.43 ATOM 528 O ARG 31 6.558 -29.616 25.207 1.00 22.04 ATOM 529 N GLY 32 6.767 -27.850 23.830 1.00 41.15 ATOM 530 HN GLY 32 6.799 -26.871 23.740 1.00 37.49 ATOM 531 CA GLY 32 6.951 -28.679 22.653 1.00 63.11 ATOM 532 HA1 GLY 32 7.116 -29.713 22.932 1.00 37.49 ATOM 533 HA2 GLY 32 7.825 -28.327 22.125 1.00 23.10 ATOM 534 C GLY 32 5.768 -28.615 21.707 1.00 5.32 ATOM 535 O GLY 32 5.419 -29.609 21.071 1.00 23.50 ATOM 536 N ILE 33 5.150 -27.443 21.615 1.00 14.55 ATOM 537 HN ILE 33 5.486 -26.671 22.122 1.00 37.49 ATOM 538 CA ILE 33 3.999 -27.253 20.741 1.00 32.21 ATOM 539 HA ILE 33 3.378 -28.144 20.809 1.00 22.04 ATOM 540 CB ILE 33 3.153 -26.043 21.178 1.00 12.31 ATOM 541 HB ILE 33 3.025 -26.081 22.236 1.00 30.22 ATOM 542 CG1 ILE 33 1.784 -26.076 20.495 1.00 62.12 ATOM 543 HG11 ILE 33 1.271 -26.990 20.761 1.00 37.49 ATOM 544 HG12 ILE 33 1.918 -26.038 19.425 1.00 11.44 ATOM 545 CG2 ILE 33 3.880 -24.745 20.857 1.00 35.23 ATOM 546 HG21 ILE 33 4.898 -24.791 21.219 1.00 21.35 ATOM 547 HG22 ILE 33 3.380 -23.928 21.336 1.00 24.11 ATOM 548 HG23 ILE 33 3.888 -24.569 19.790 1.00 65.24 ATOM 549 CD1 ILE 33 0.891 -24.915 20.874 1.00 63.25 ATOM 550 HD11 ILE 33 1.052 -24.636 21.907 1.00 22.41 ATOM 551 HD12 ILE 33 -0.125 -25.227 20.749 1.00 54.32 ATOM 552 HD13 ILE 33 1.096 -24.072 20.231 1.00 61.40 ATOM 553 C ILE 33 4.435 -27.058 19.293 1.00 71.21 ATOM 554 O ILE 33 5.437 -26.399 19.019 1.00 31.23 ATOM 555 N ASN 34 3.674 -27.635 18.369 1.00 73.13 ATOM 556 HN ASN 34 2.876 -28.145 18.642 1.00 37.49 ATOM 557 CA ASN 34 3.981 -27.524 16.947 1.00 13.23 ATOM 558 HA ASN 34 4.952 -27.049 16.835 1.00 22.21 ATOM 559 CB ASN 34 4.037 -28.912 16.306 1.00 13.11 ATOM 560 HB1 ASN 34 3.070 -29.213 15.942 1.00 37.49 ATOM 561 HB2 ASN 34 4.356 -29.626 17.054 1.00 62.22 ATOM 562 CG ASN 34 5.034 -28.982 15.166 1.00 25.43 ATOM 563 OD1 ASN 34 6.244 -29.038 15.388 1.00 22.01 ATOM 564 ND2 ASN 34 4.530 -28.980 13.938 1.00 62.12 ATOM 565 HD21 ASN 34 3.579 -28.937 13.831 1.00 44.32 ATOM 566 HD22 ASN 34 5.156 -29.023 13.185 1.00 12.44 ATOM 567 C ASN 34 2.944 -26.663 16.233 1.00 54.34 ATOM 568 O ASN 34 1.940 -27.169 15.730 1.00 73.41 ATOM 569 N LEU 35 3.193 -25.359 16.191 1.00 43.43 ATOM 570 HN LEU 35 4.020 -25.013 16.605 1.00 37.49 ATOM 571 CA LEU 35 2.282 -24.426 15.537 1.00 51.22 ATOM 572 HA LEU 35 1.297 -24.579 15.938 1.00 61.51 ATOM 573 CB LEU 35 2.700 -22.984 15.829 1.00 3.23 ATOM 574 HB1 LEU 35 2.016 -22.312 15.324 1.00 37.49 ATOM 575 HB2 LEU 35 3.687 -22.850 15.407 1.00 35.34 ATOM 576 CG LEU 35 2.772 -22.592 17.306 1.00 63.14 ATOM 577 HG LEU 35 3.204 -23.403 17.875 1.00 73.52 ATOM 578 CD1 LEU 35 3.664 -21.374 17.492 1.00 61.51 ATOM 579 HD11 LEU 35 4.657 -21.592 17.123 1.00 15.32 ATOM 580 HD12 LEU 35 3.723 -21.125 18.543 1.00 23.22 ATOM 581 HD13 LEU 35 3.255 -20.534 16.947 1.00 33.34 ATOM 582 CD2 LEU 35 1.379 -22.324 17.855 1.00 53.13 ATOM 583 HD21 LEU 35 0.925 -21.503 17.316 1.00 14.33 ATOM 584 HD22 LEU 35 1.445 -22.072 18.905 1.00 52.22 ATOM 585 HD23 LEU 35 0.768 -23.209 17.740 1.00 74.51 ATOM 586 C LEU 35 2.249 -24.662 14.030 1.00 22.33 ATOM 587 O LEU 35 1.264 -24.346 13.364 1.00 52.14 ATOM 588 N ARG 36 3.332 -25.222 13.501 1.00 70.23 ATOM 589 HN ARG 36 4.105 -25.433 14.072 1.00 37.49 ATOM 590 CA ARG 36 3.427 -25.502 12.073 1.00 33.21 ATOM 591 HA ARG 36 3.260 -24.580 11.542 1.00 74.40 ATOM 592 CB ARG 36 4.816 -26.044 11.729 1.00 55.40 ATOM 593 HB1 ARG 36 4.902 -27.065 12.081 1.00 37.49 ATOM 594 HB2 ARG 36 5.554 -25.438 12.239 1.00 21.50 ATOM 595 CG ARG 36 5.128 -26.019 10.242 1.00 54.54 ATOM 596 HG1 ARG 36 5.009 -25.010 9.874 1.00 37.49 ATOM 597 HG2 ARG 36 4.439 -26.673 9.729 1.00 24.15 ATOM 598 CD ARG 36 6.548 -26.485 9.962 1.00 32.15 ATOM 599 HD1 ARG 36 6.569 -27.565 9.983 1.00 37.49 ATOM 600 HD2 ARG 36 7.200 -26.096 10.736 1.00 14.44 ATOM 601 NE ARG 36 7.029 -26.025 8.663 1.00 64.54 ATOM 602 HE ARG 36 6.364 -25.691 8.016 1.00 63.11 ATOM 603 CZ ARG 36 8.309 -26.038 8.307 1.00 41.13 ATOM 604 NH1 ARG 36 9.231 -26.485 9.149 1.00 55.12 ATOM 605 HH11 ARG 36 8.992 -26.821 10.057 1.00 71.02 ATOM 606 HH12 ARG 36 10.194 -26.487 8.870 1.00 64.32 ATOM 607 NH2 ARG 36 8.669 -25.603 7.106 1.00 63.21 ATOM 608 HH21 ARG 36 7.977 -25.264 6.465 1.00 4.33 ATOM 609 HH22 ARG 36 9.634 -25.611 6.835 1.00 44.20 ATOM 610 C ARG 36 2.358 -26.503 11.643 1.00 1.02 ATOM 611 O ARG 36 1.844 -26.437 10.527 1.00 74.44 ATOM 612 N LYS 37 2.029 -27.430 12.537 1.00 50.51 ATOM 613 HN LYS 37 2.445 -27.417 13.425 1.00 37.49 ATOM 614 CA LYS 37 1.022 -28.444 12.252 1.00 75.30 ATOM 615 HA LYS 37 1.165 -28.796 11.238 1.00 63.32 ATOM 616 CB LYS 37 1.179 -29.631 13.206 1.00 42.24 ATOM 617 HB1 LYS 37 1.131 -29.280 14.217 1.00 37.49 ATOM 618 HB2 LYS 37 2.150 -30.071 13.036 1.00 61.22 ATOM 619 CG LYS 37 0.147 -30.725 12.991 1.00 3.45 ATOM 620 HG1 LYS 37 0.621 -31.680 13.173 1.00 37.49 ATOM 621 HG2 LYS 37 -0.204 -30.696 11.965 1.00 32.10 ATOM 622 CD LYS 37 -1.044 -30.556 13.919 1.00 33.42 ATOM 623 HD1 LYS 37 -1.937 -30.548 13.319 1.00 37.49 ATOM 624 HD2 LYS 37 -0.975 -29.623 14.465 1.00 54.54 ATOM 625 CE LYS 37 -1.139 -31.700 14.917 1.00 34.32 ATOM 626 HE1 LYS 37 -1.738 -31.374 15.755 1.00 37.49 ATOM 627 HE2 LYS 37 -0.149 -31.962 15.268 1.00 3.34 ATOM 628 NZ LYS 37 -1.772 -32.908 14.318 1.00 14.23 ATOM 629 HZ1 LYS 37 -1.214 -33.244 13.505 1.00 2.25 ATOM 630 HZ2 LYS 37 -2.738 -32.689 13.996 1.00 22.30 ATOM 631 HZ3 LYS 37 -1.822 -33.669 15.025 1.00 25.41 ATOM 632 C LYS 37 -0.384 -27.865 12.373 1.00 11.41 ATOM 633 O LYS 37 -1.313 -28.320 11.705 1.00 41.21 ATOM 634 N ILE 38 -0.532 -26.858 13.228 1.00 54.04 ATOM 635 HN ILE 38 0.250 -26.522 13.711 1.00 37.49 ATOM 636 CA ILE 38 -1.824 -26.215 13.433 1.00 34.12 ATOM 637 HA ILE 38 -2.536 -26.977 13.727 1.00 2.32 ATOM 638 CB ILE 38 -1.754 -25.153 14.546 1.00 1.11 ATOM 639 HB ILE 38 -1.137 -24.333 14.204 1.00 35.44 ATOM 640 CG1 ILE 38 -1.126 -25.747 15.809 1.00 51.42 ATOM 641 HG11 ILE 38 -1.115 -24.999 16.589 1.00 37.49 ATOM 642 HG12 ILE 38 -0.121 -26.046 15.605 1.00 15.51 ATOM 643 CG2 ILE 38 -3.142 -24.606 14.845 1.00 43.01 ATOM 644 HG21 ILE 38 -3.500 -24.048 13.994 1.00 32.52 ATOM 645 HG22 ILE 38 -3.098 -23.945 15.694 1.00 2.21 ATOM 646 HG23 ILE 38 -3.827 -25.414 15.054 1.00 54.31 ATOM 647 CD1 ILE 38 -1.864 -26.956 16.339 1.00 2.02 ATOM 648 HD11 ILE 38 -2.927 -26.854 16.208 1.00 20.00 ATOM 649 HD12 ILE 38 -1.656 -27.058 17.391 1.00 12.21 ATOM 650 HD13 ILE 38 -1.522 -27.839 15.820 1.00 51.30 ATOM 651 C ILE 38 -2.322 -25.558 12.150 1.00 70.50 ATOM 652 O ILE 38 -3.468 -25.752 11.746 1.00 71.12 ATOM 653 N ALA 39 -1.451 -24.782 11.513 1.00 75.31 ATOM 654 HN ALA 39 -0.545 -24.664 11.887 1.00 37.49 ATOM 655 CA ALA 39 -1.801 -24.100 10.273 1.00 21.01 ATOM 656 HA ALA 39 -2.685 -23.519 10.450 1.00 43.10 ATOM 657 CB ALA 39 -0.688 -23.147 9.863 1.00 1.03 ATOM 658 HB1 ALA 39 0.176 -23.706 9.529 1.00 12.11 ATOM 659 HB2 ALA 39 -0.411 -22.537 10.710 1.00 51.32 ATOM 660 HB3 ALA 39 -1.037 -22.513 9.070 1.00 35.50 ATOM 661 C ALA 39 -2.082 -25.100 9.157 1.00 44.05 ATOM 662 O ALA 39 -2.887 -24.837 8.264 1.00 44.20 ATOM 663 N GLU 40 -1.412 -26.247 9.213 1.00 3.21 ATOM 664 HN GLU 40 -0.765 -26.399 9.940 1.00 37.49 ATOM 665 CA GLU 40 -1.589 -27.285 8.205 1.00 51.14 ATOM 666 HA GLU 40 -1.374 -26.856 7.238 1.00 12.05 ATOM 667 CB GLU 40 -0.633 -28.450 8.466 1.00 23.24 ATOM 668 HB1 GLU 40 -1.091 -29.375 8.132 1.00 37.49 ATOM 669 HB2 GLU 40 -0.439 -28.525 9.523 1.00 24.22 ATOM 670 CG GLU 40 0.702 -28.314 7.753 1.00 20.31 ATOM 671 HG1 GLU 40 1.202 -27.429 8.118 1.00 37.49 ATOM 672 HG2 GLU 40 0.523 -28.214 6.692 1.00 71.04 ATOM 673 CD GLU 40 1.608 -29.510 7.977 1.00 54.20 ATOM 674 OE1 GLU 40 2.658 -29.592 7.306 1.00 53.42 ATOM 675 OE2 GLU 40 1.267 -30.363 8.822 1.00 34.13 ATOM 676 C GLU 40 -3.030 -27.788 8.190 1.00 64.44 ATOM 677 O GLU 40 -3.477 -28.395 7.215 1.00 13.43 ATOM 678 N LEU 41 -3.750 -27.534 9.276 1.00 12.40 ATOM 679 HN LEU 41 -3.344 -27.095 10.052 1.00 37.49 ATOM 680 CA LEU 41 -5.140 -27.961 9.390 1.00 55.15 ATOM 681 HA LEU 41 -5.306 -28.805 8.730 1.00 53.45 ATOM 682 CB LEU 41 -5.442 -28.407 10.821 1.00 14.53 ATOM 683 HB1 LEU 41 -6.431 -28.847 10.838 1.00 37.49 ATOM 684 HB2 LEU 41 -5.460 -27.517 11.445 1.00 51.02 ATOM 685 CG LEU 41 -4.455 -29.397 11.438 1.00 24.33 ATOM 686 HG LEU 41 -3.451 -29.101 11.198 1.00 41.23 ATOM 687 CD1 LEU 41 -4.583 -29.405 12.954 1.00 64.13 ATOM 688 HD11 LEU 41 -4.318 -28.433 13.343 1.00 11.42 ATOM 689 HD12 LEU 41 -3.927 -30.149 13.376 1.00 50.41 ATOM 690 HD13 LEU 41 -5.603 -29.634 13.232 1.00 72.33 ATOM 691 CD2 LEU 41 -4.677 -30.793 10.875 1.00 35.32 ATOM 692 HD21 LEU 41 -3.956 -31.476 11.303 1.00 55.32 ATOM 693 HD22 LEU 41 -4.554 -30.774 9.801 1.00 24.11 ATOM 694 HD23 LEU 41 -5.676 -31.130 11.115 1.00 50.20 ATOM 695 C LEU 41 -6.090 -26.838 8.983 1.00 20.43 ATOM 696 O LEU 41 -7.238 -26.794 9.424 1.00 52.24 ATOM 697 N MET 42 -5.603 -25.935 8.139 1.00 1.21 ATOM 698 HN MET 42 -4.692 -26.000 7.805 1.00 37.49 ATOM 699 CA MET 42 -6.410 -24.814 7.671 1.00 61.13 ATOM 700 HA MET 42 -7.417 -24.904 8.058 1.00 45.04 ATOM 701 CB MET 42 -5.832 -23.493 8.182 1.00 34.04 ATOM 702 HB1 MET 42 -6.418 -22.673 7.786 1.00 37.49 ATOM 703 HB2 MET 42 -4.816 -23.399 7.826 1.00 3.30 ATOM 704 CG MET 42 -5.830 -23.378 9.698 1.00 2.51 ATOM 705 HG1 MET 42 -5.340 -24.244 10.118 1.00 37.49 ATOM 706 HG2 MET 42 -6.849 -23.343 10.020 1.00 3.11 ATOM 707 SD MET 42 -4.987 -21.894 10.280 1.00 4.22 ATOM 708 CE MET 42 -6.380 -20.814 10.595 1.00 54.35 ATOM 709 HE1 MET 42 -6.084 -20.045 11.285 1.00 21.22 ATOM 710 HE2 MET 42 -7.194 -21.384 11.016 1.00 21.50 ATOM 711 HE3 MET 42 -6.700 -20.362 9.668 1.00 62.10 ATOM 712 C MET 42 -6.481 -24.795 6.147 1.00 13.11 ATOM 713 O MET 42 -5.883 -23.947 5.484 1.00 23.53 ATOM 714 N PRO 43 -7.230 -25.751 5.577 1.00 51.53 ATOM 715 CA PRO 43 -7.397 -25.864 4.125 1.00 72.12 ATOM 716 HA PRO 43 -6.444 -25.903 3.617 1.00 53.44 ATOM 717 CB PRO 43 -8.123 -27.201 3.955 1.00 62.12 ATOM 718 HB1 PRO 43 -7.393 -27.980 3.793 1.00 37.49 ATOM 719 HB2 PRO 43 -8.807 -27.175 3.116 1.00 5.31 ATOM 720 CG PRO 43 -8.840 -27.409 5.244 1.00 72.43 ATOM 721 HG1 PRO 43 -8.964 -28.466 5.429 1.00 37.49 ATOM 722 HG2 PRO 43 -9.801 -26.917 5.213 1.00 44.30 ATOM 723 CD PRO 43 -7.972 -26.793 6.305 1.00 24.44 ATOM 724 HD1 PRO 43 -7.302 -27.535 6.707 1.00 37.49 ATOM 725 HD2 PRO 43 -8.585 -26.369 7.085 1.00 74.41 ATOM 726 C PRO 43 -8.233 -24.727 3.547 1.00 70.22 ATOM 727 O PRO 43 -9.427 -24.886 3.298 1.00 72.24 ATOM 728 N GLY 44 -7.597 -23.579 3.335 1.00 3.14 ATOM 729 HN GLY 44 -6.640 -23.499 3.549 1.00 37.49 ATOM 730 CA GLY 44 -8.298 -22.432 2.788 1.00 63.32 ATOM 731 HA1 GLY 44 -9.179 -22.751 2.244 1.00 37.49 ATOM 732 HA2 GLY 44 -7.637 -21.929 2.096 1.00 22.51 ATOM 733 C GLY 44 -8.717 -21.444 3.858 1.00 41.23 ATOM 734 O GLY 44 -9.864 -21.450 4.303 1.00 53.15 ATOM 735 N ALA 45 -7.784 -20.593 4.273 1.00 33.13 ATOM 736 HN ALA 45 -6.875 -20.644 3.891 1.00 37.49 ATOM 737 CA ALA 45 -8.063 -19.594 5.298 1.00 72.24 ATOM 738 HA ALA 45 -9.123 -19.364 5.291 1.00 31.42 ATOM 739 CB ALA 45 -7.713 -20.138 6.675 1.00 71.44 ATOM 740 HB1 ALA 45 -8.267 -19.603 7.423 1.00 45.21 ATOM 741 HB2 ALA 45 -6.652 -20.026 6.864 1.00 11.40 ATOM 742 HB3 ALA 45 -7.966 -21.181 6.722 1.00 51.21 ATOM 743 C ALA 45 -7.299 -18.302 5.027 1.00 33.51 ATOM 744 O ALA 45 -6.418 -18.259 4.169 1.00 22.50 ATOM 745 N SER 46 -7.644 -17.251 5.764 1.00 24.32 ATOM 746 HN SER 46 -8.362 -17.337 6.415 1.00 37.49 ATOM 747 CA SER 46 -6.993 -15.957 5.600 1.00 1.34 ATOM 748 HA SER 46 -6.135 -16.065 4.948 1.00 53.10 ATOM 749 CB SER 46 -7.959 -14.953 4.967 1.00 23.22 ATOM 750 HB1 SER 46 -8.663 -14.597 5.707 1.00 37.49 ATOM 751 HB2 SER 46 -8.499 -15.432 4.162 1.00 61.23 ATOM 752 OG SER 46 -7.262 -13.837 4.441 1.00 21.02 ATOM 753 HG SER 46 -6.890 -14.062 3.584 1.00 10.25 ATOM 754 C SER 46 -6.496 -15.425 6.941 1.00 10.13 ATOM 755 O SER 46 -6.612 -16.092 7.968 1.00 33.32 ATOM 756 N GLY 47 -5.941 -14.217 6.923 1.00 42.22 ATOM 757 HN GLY 47 -5.854 -13.723 6.077 1.00 37.49 ATOM 758 CA GLY 47 -5.434 -13.615 8.142 1.00 1.40 ATOM 759 HA1 GLY 47 -5.074 -12.622 7.915 1.00 37.49 ATOM 760 HA2 GLY 47 -4.610 -14.208 8.513 1.00 14.44 ATOM 761 C GLY 47 -6.492 -13.515 9.223 1.00 61.40 ATOM 762 O GLY 47 -6.234 -13.830 10.384 1.00 23.13 ATOM 763 N ALA 48 -7.686 -13.075 8.841 1.00 33.01 ATOM 764 HN ALA 48 -7.832 -12.830 7.896 1.00 37.49 ATOM 765 CA ALA 48 -8.787 -12.935 9.786 1.00 30.44 ATOM 766 HA ALA 48 -8.481 -12.245 10.562 1.00 43.23 ATOM 767 CB ALA 48 -10.008 -12.349 9.092 1.00 25.14 ATOM 768 HB1 ALA 48 -10.821 -12.252 9.799 1.00 4.40 ATOM 769 HB2 ALA 48 -10.309 -12.994 8.282 1.00 13.42 ATOM 770 HB3 ALA 48 -9.760 -11.374 8.698 1.00 51.22 ATOM 771 C ALA 48 -9.133 -14.275 10.428 1.00 53.14 ATOM 772 O ALA 48 -9.578 -14.328 11.574 1.00 40.43 ATOM 773 N GLU 49 -8.927 -15.355 9.680 1.00 2.31 ATOM 774 HN GLU 49 -8.563 -15.258 8.772 1.00 37.49 ATOM 775 CA GLU 49 -9.219 -16.694 10.177 1.00 73.12 ATOM 776 HA GLU 49 -10.188 -16.675 10.664 1.00 4.41 ATOM 777 CB GLU 49 -9.266 -17.693 9.018 1.00 11.34 ATOM 778 HB1 GLU 49 -9.220 -18.700 9.417 1.00 37.49 ATOM 779 HB2 GLU 49 -8.415 -17.541 8.387 1.00 72.12 ATOM 780 CG GLU 49 -10.530 -17.595 8.181 1.00 33.12 ATOM 781 HG1 GLU 49 -11.391 -17.646 8.834 1.00 37.49 ATOM 782 HG2 GLU 49 -10.554 -18.427 7.494 1.00 54.11 ATOM 783 CD GLU 49 -10.602 -16.309 7.381 1.00 14.13 ATOM 784 OE1 GLU 49 -11.061 -15.289 7.937 1.00 75.14 ATOM 785 OE2 GLU 49 -10.199 -16.323 6.199 1.00 10.23 ATOM 786 C GLU 49 -8.177 -17.134 11.201 1.00 62.45 ATOM 787 O GLU 49 -8.489 -17.848 12.154 1.00 53.11 ATOM 788 N VAL 50 -6.936 -16.704 10.995 1.00 21.24 ATOM 789 HN VAL 50 -6.745 -16.129 10.220 1.00 37.49 ATOM 790 CA VAL 50 -5.847 -17.053 11.900 1.00 43.33 ATOM 791 HA VAL 50 -5.782 -18.129 11.954 1.00 32.24 ATOM 792 CB VAL 50 -4.498 -16.511 11.389 1.00 13.33 ATOM 793 HB VAL 50 -4.561 -15.433 11.329 1.00 64.22 ATOM 794 CG1 VAL 50 -3.379 -16.868 12.355 1.00 0.55 ATOM 795 HG11 VAL 50 -3.534 -17.869 12.731 1.00 63.04 ATOM 796 HG12 VAL 50 -3.376 -16.171 13.179 1.00 63.53 ATOM 797 HG13 VAL 50 -2.432 -16.827 11.854 1.00 34.24 ATOM 798 CG2 VAL 50 -4.202 -17.046 9.996 1.00 13.04 ATOM 799 HG21 VAL 50 -4.933 -16.683 9.308 1.00 3.21 ATOM 800 HG22 VAL 50 -4.226 -18.126 10.007 1.00 74.52 ATOM 801 HG23 VAL 50 -3.225 -16.718 9.680 1.00 51.43 ATOM 802 C VAL 50 -6.102 -16.511 13.302 1.00 63.13 ATOM 803 O VAL 50 -5.945 -17.224 14.293 1.00 22.11 ATOM 804 N LYS 51 -6.497 -15.245 13.378 1.00 43.20 ATOM 805 HN LYS 51 -6.596 -14.718 12.549 1.00 37.49 ATOM 806 CA LYS 51 -6.776 -14.606 14.658 1.00 11.34 ATOM 807 HA LYS 51 -5.857 -14.588 15.213 1.00 72.43 ATOM 808 CB LYS 51 -7.255 -13.169 14.441 1.00 41.53 ATOM 809 HB1 LYS 51 -8.308 -13.179 14.180 1.00 37.49 ATOM 810 HB2 LYS 51 -6.699 -12.742 13.616 1.00 73.52 ATOM 811 CG LYS 51 -7.050 -12.270 15.648 1.00 13.20 ATOM 812 HG1 LYS 51 -6.043 -11.876 15.626 1.00 37.49 ATOM 813 HG2 LYS 51 -7.190 -12.847 16.554 1.00 72.32 ATOM 814 CD LYS 51 -8.040 -11.117 15.659 1.00 42.21 ATOM 815 HD1 LYS 51 -7.960 -10.600 16.605 1.00 37.49 ATOM 816 HD2 LYS 51 -9.044 -11.505 15.549 1.00 42.33 ATOM 817 CE LYS 51 -7.764 -10.135 14.530 1.00 10.04 ATOM 818 HE1 LYS 51 -8.693 -9.647 14.274 1.00 37.49 ATOM 819 HE2 LYS 51 -7.389 -10.651 13.658 1.00 62.42 ATOM 820 NZ LYS 51 -6.781 -9.091 14.932 1.00 52.45 ATOM 821 HZ1 LYS 51 -7.142 -8.547 15.743 1.00 32.43 ATOM 822 HZ2 LYS 51 -6.615 -8.437 14.141 1.00 41.35 ATOM 823 HZ3 LYS 51 -5.874 -9.530 15.197 1.00 11.42 ATOM 824 C LYS 51 -7.826 -15.389 15.440 1.00 24.41 ATOM 825 O LYS 51 -7.859 -15.346 16.669 1.00 23.11 ATOM 826 N GLY 52 -8.681 -16.107 14.718 1.00 33.04 ATOM 827 HN GLY 52 -8.662 -16.078 13.739 1.00 37.49 ATOM 828 CA GLY 52 -9.719 -16.891 15.362 1.00 70.32 ATOM 829 HA1 GLY 52 -10.436 -17.194 14.613 1.00 37.49 ATOM 830 HA2 GLY 52 -10.227 -16.284 16.101 1.00 62.34 ATOM 831 C GLY 52 -9.172 -18.133 16.038 1.00 12.21 ATOM 832 O GLY 52 -9.695 -18.572 17.063 1.00 41.24 ATOM 833 N VAL 53 -8.117 -18.702 15.463 1.00 35.14 ATOM 834 HN VAL 53 -7.737 -18.309 14.644 1.00 37.49 ATOM 835 CA VAL 53 -7.500 -19.901 16.017 1.00 64.22 ATOM 836 HA VAL 53 -8.276 -20.636 16.175 1.00 70.31 ATOM 837 CB VAL 53 -6.464 -20.498 15.046 1.00 63.03 ATOM 838 HB VAL 53 -5.693 -19.760 14.870 1.00 14.35 ATOM 839 CG1 VAL 53 -5.812 -21.732 15.652 1.00 51.42 ATOM 840 HG11 VAL 53 -5.241 -21.460 16.526 1.00 54.42 ATOM 841 HG12 VAL 53 -5.144 -22.180 14.928 1.00 11.24 ATOM 842 HG13 VAL 53 -6.573 -22.450 15.927 1.00 23.45 ATOM 843 CG2 VAL 53 -7.114 -20.830 13.711 1.00 13.12 ATOM 844 HG21 VAL 53 -7.967 -21.475 13.868 1.00 44.05 ATOM 845 HG22 VAL 53 -6.398 -21.335 13.089 1.00 51.31 ATOM 846 HG23 VAL 53 -7.433 -19.921 13.225 1.00 2.23 ATOM 847 C VAL 53 -6.820 -19.604 17.349 1.00 64.45 ATOM 848 O VAL 53 -7.094 -20.257 18.356 1.00 13.24 ATOM 849 N CYS 54 -5.932 -18.616 17.346 1.00 61.32 ATOM 850 HN CYS 54 -5.751 -18.138 16.502 1.00 37.49 ATOM 851 CA CYS 54 -5.211 -18.232 18.555 1.00 73.45 ATOM 852 HA CYS 54 -4.674 -19.099 18.917 1.00 2.14 ATOM 853 CB CYS 54 -4.204 -17.125 18.243 1.00 65.25 ATOM 854 HB1 CYS 54 -3.532 -17.470 17.471 1.00 37.49 ATOM 855 HB2 CYS 54 -3.633 -16.901 19.133 1.00 1.51 ATOM 856 SG CYS 54 -4.954 -15.584 17.668 1.00 15.24 ATOM 857 HG CYS 54 -4.279 -15.179 16.604 1.00 52.34 ATOM 858 C CYS 54 -6.178 -17.767 19.639 1.00 44.53 ATOM 859 O CYS 54 -5.941 -17.976 20.829 1.00 10.20 ATOM 860 N THR 55 -7.268 -17.132 19.219 1.00 1.45 ATOM 861 HN THR 55 -7.422 -17.002 18.255 1.00 37.49 ATOM 862 CA THR 55 -8.269 -16.633 20.154 1.00 21.11 ATOM 863 HA THR 55 -7.758 -16.145 20.977 1.00 42.21 ATOM 864 CB THR 55 -9.193 -15.597 19.487 1.00 0.55 ATOM 865 HB THR 55 -9.669 -16.057 18.631 1.00 42.02 ATOM 866 OG1 THR 55 -8.427 -14.470 19.046 1.00 73.03 ATOM 867 HG1 THR 55 -8.884 -14.031 18.324 1.00 20.42 ATOM 868 CG2 THR 55 -10.273 -15.134 20.453 1.00 35.45 ATOM 869 HG21 THR 55 -11.029 -15.899 20.552 1.00 30.51 ATOM 870 HG22 THR 55 -10.729 -14.234 20.068 1.00 61.15 ATOM 871 HG23 THR 55 -9.841 -14.925 21.423 1.00 3.55 ATOM 872 C THR 55 -9.118 -17.771 20.709 1.00 22.13 ATOM 873 O THR 55 -9.394 -17.824 21.907 1.00 3.42 ATOM 874 N GLU 56 -9.528 -18.680 19.831 1.00 71.44 ATOM 875 HN GLU 56 -9.280 -18.582 18.881 1.00 37.49 ATOM 876 CA GLU 56 -10.346 -19.818 20.235 1.00 51.31 ATOM 877 HA GLU 56 -11.196 -19.438 20.776 1.00 72.33 ATOM 878 CB GLU 56 -10.825 -20.592 19.005 1.00 33.45 ATOM 879 HB1 GLU 56 -10.950 -21.640 19.255 1.00 37.49 ATOM 880 HB2 GLU 56 -10.089 -20.510 18.232 1.00 43.33 ATOM 881 CG GLU 56 -12.145 -20.089 18.445 1.00 44.23 ATOM 882 HG1 GLU 56 -12.344 -20.604 17.522 1.00 37.49 ATOM 883 HG2 GLU 56 -12.067 -19.028 18.254 1.00 61.32 ATOM 884 CD GLU 56 -13.309 -20.332 19.385 1.00 0.22 ATOM 885 OE1 GLU 56 -13.480 -21.486 19.830 1.00 32.14 ATOM 886 OE2 GLU 56 -14.049 -19.369 19.676 1.00 42.23 ATOM 887 C GLU 56 -9.567 -20.746 21.163 1.00 51.34 ATOM 888 O GLU 56 -10.108 -21.260 22.141 1.00 13.20 ATOM 889 N ALA 57 -8.293 -20.955 20.847 1.00 73.31 ATOM 890 HN ALA 57 -7.916 -20.532 20.039 1.00 37.49 ATOM 891 CA ALA 57 -7.439 -21.820 21.652 1.00 50.41 ATOM 892 HA ALA 57 -7.797 -22.833 21.550 1.00 64.23 ATOM 893 CB ALA 57 -6.008 -21.774 21.138 1.00 42.22 ATOM 894 HB1 ALA 57 -6.002 -21.986 20.079 1.00 50.22 ATOM 895 HB2 ALA 57 -5.419 -22.516 21.652 1.00 64.10 ATOM 896 HB3 ALA 57 -5.586 -20.793 21.310 1.00 72.41 ATOM 897 C ALA 57 -7.488 -21.423 23.123 1.00 5.35 ATOM 898 O ALA 57 -7.528 -22.279 24.006 1.00 2.43 ATOM 899 N GLY 58 -7.483 -20.118 23.381 1.00 64.15 ATOM 900 HN GLY 58 -7.437 -19.466 22.646 1.00 37.49 ATOM 901 CA GLY 58 -7.525 -19.631 24.747 1.00 74.11 ATOM 902 HA1 GLY 58 -7.400 -18.558 24.735 1.00 37.49 ATOM 903 HA2 GLY 58 -6.711 -20.069 25.310 1.00 23.35 ATOM 904 C GLY 58 -8.834 -19.959 25.438 1.00 1.34 ATOM 905 O GLY 58 -8.868 -20.166 26.651 1.00 3.00 ATOM 906 N MET 59 -9.914 -20.004 24.666 1.00 15.11 ATOM 907 HN MET 59 -9.826 -19.830 23.705 1.00 37.49 ATOM 908 CA MET 59 -11.232 -20.308 25.213 1.00 62.14 ATOM 909 HA MET 59 -11.462 -19.569 25.957 1.00 54.24 ATOM 910 CB MET 59 -12.290 -20.258 24.108 1.00 24.24 ATOM 911 HB1 MET 59 -13.261 -20.446 24.547 1.00 37.49 ATOM 912 HB2 MET 59 -12.085 -21.040 23.392 1.00 22.03 ATOM 913 CG MET 59 -12.326 -18.935 23.361 1.00 63.22 ATOM 914 HG1 MET 59 -12.474 -19.146 22.316 1.00 37.49 ATOM 915 HG2 MET 59 -11.398 -18.398 23.485 1.00 61.44 ATOM 916 SD MET 59 -13.674 -17.868 23.903 1.00 52.23 ATOM 917 CE MET 59 -13.307 -17.719 25.650 1.00 74.35 ATOM 918 HE1 MET 59 -13.471 -18.670 26.135 1.00 64.24 ATOM 919 HE2 MET 59 -13.952 -16.974 26.091 1.00 2.14 ATOM 920 HE3 MET 59 -12.276 -17.423 25.777 1.00 11.22 ATOM 921 C MET 59 -11.240 -21.680 25.879 1.00 32.03 ATOM 922 O MET 59 -11.657 -21.819 27.029 1.00 34.33 ATOM 923 N TYR 60 -10.778 -22.690 25.151 1.00 42.35 ATOM 924 HN TYR 60 -10.449 -22.511 24.238 1.00 37.49 ATOM 925 CA TYR 60 -10.735 -24.051 25.671 1.00 61.12 ATOM 926 HA TYR 60 -11.746 -24.353 25.901 1.00 4.03 ATOM 927 CB TYR 60 -10.168 -25.004 24.617 1.00 21.45 ATOM 928 HB1 TYR 60 -10.148 -26.009 25.022 1.00 37.49 ATOM 929 HB2 TYR 60 -9.154 -24.705 24.380 1.00 60.14 ATOM 930 CG TYR 60 -10.969 -25.036 23.336 1.00 71.14 ATOM 931 CD1 TYR 60 -10.520 -24.379 22.196 1.00 21.34 ATOM 932 HD1 TYR 60 -9.586 -23.840 22.232 1.00 52.54 ATOM 933 CD2 TYR 60 -12.175 -25.722 23.264 1.00 53.33 ATOM 934 HD2 TYR 60 -12.542 -26.239 24.140 1.00 24.20 ATOM 935 CE1 TYR 60 -11.249 -24.405 21.023 1.00 2.10 ATOM 936 HE1 TYR 60 -10.883 -23.888 20.150 1.00 73.54 ATOM 937 CE2 TYR 60 -12.910 -25.754 22.094 1.00 0.13 ATOM 938 HE2 TYR 60 -13.845 -26.293 22.058 1.00 12.21 ATOM 939 CZ TYR 60 -12.443 -25.094 20.977 1.00 42.11 ATOM 940 OH TYR 60 -13.172 -25.122 19.811 1.00 74.35 ATOM 941 HH TYR 60 -13.897 -24.495 19.872 1.00 52.34 ATOM 942 C TYR 60 -9.895 -24.122 26.942 1.00 23.22 ATOM 943 O TYR 60 -10.192 -24.894 27.854 1.00 41.24 ATOM 944 N ALA 61 -8.844 -23.310 26.995 1.00 22.43 ATOM 945 HN ALA 61 -8.643 -22.720 26.231 1.00 37.49 ATOM 946 CA ALA 61 -7.961 -23.278 28.155 1.00 72.12 ATOM 947 HA ALA 61 -7.669 -24.294 28.391 1.00 25.43 ATOM 948 CB ALA 61 -6.698 -22.493 27.835 1.00 63.23 ATOM 949 HB1 ALA 61 -6.026 -22.523 28.681 1.00 42.42 ATOM 950 HB2 ALA 61 -6.953 -21.466 27.614 1.00 21.24 ATOM 951 HB3 ALA 61 -6.212 -22.933 26.977 1.00 53.31 ATOM 952 C ALA 61 -8.667 -22.677 29.365 1.00 11.15 ATOM 953 O ALA 61 -8.456 -23.111 30.499 1.00 52.31 ATOM 954 N LEU 62 -9.505 -21.676 29.119 1.00 31.00 ATOM 955 HN LEU 62 -9.626 -21.358 28.193 1.00 37.49 ATOM 956 CA LEU 62 -10.242 -21.014 30.190 1.00 74.22 ATOM 957 HA LEU 62 -9.527 -20.652 30.919 1.00 60.14 ATOM 958 CB LEU 62 -11.034 -19.829 29.634 1.00 61.11 ATOM 959 HB1 LEU 62 -11.891 -19.646 30.275 1.00 37.49 ATOM 960 HB2 LEU 62 -11.411 -20.115 28.663 1.00 40.55 ATOM 961 CG LEU 62 -10.263 -18.517 29.487 1.00 50.22 ATOM 962 HG LEU 62 -9.247 -18.728 29.181 1.00 52.25 ATOM 963 CD1 LEU 62 -10.895 -17.644 28.414 1.00 13.42 ATOM 964 HD11 LEU 62 -11.918 -17.419 28.681 1.00 5.24 ATOM 965 HD12 LEU 62 -10.877 -18.164 27.469 1.00 51.42 ATOM 966 HD13 LEU 62 -10.338 -16.722 28.321 1.00 11.22 ATOM 967 CD2 LEU 62 -10.210 -17.778 30.816 1.00 41.30 ATOM 968 HD21 LEU 62 -11.213 -17.538 31.141 1.00 31.23 ATOM 969 HD22 LEU 62 -9.642 -16.865 30.701 1.00 71.44 ATOM 970 HD23 LEU 62 -9.733 -18.402 31.559 1.00 20.10 ATOM 971 C LEU 62 -11.187 -21.990 30.885 1.00 43.03 ATOM 972 O LEU 62 -11.160 -22.131 32.107 1.00 24.13 ATOM 973 N ARG 63 -12.019 -22.662 30.097 1.00 71.54 ATOM 974 HN ARG 63 -11.992 -22.505 29.122 1.00 37.49 ATOM 975 CA ARG 63 -12.971 -23.626 30.636 1.00 30.00 ATOM 976 HA ARG 63 -13.624 -23.106 31.323 1.00 2.14 ATOM 977 CB ARG 63 -13.817 -24.225 29.510 1.00 4.44 ATOM 978 HB1 ARG 63 -14.298 -23.420 28.973 1.00 37.49 ATOM 979 HB2 ARG 63 -14.580 -24.854 29.951 1.00 42.22 ATOM 980 CG ARG 63 -13.013 -25.046 28.515 1.00 3.35 ATOM 981 HG1 ARG 63 -12.282 -25.655 29.018 1.00 37.49 ATOM 982 HG2 ARG 63 -12.516 -24.368 27.848 1.00 3.41 ATOM 983 CD ARG 63 -13.909 -25.957 27.692 1.00 54.43 ATOM 984 HD1 ARG 63 -13.363 -26.236 26.801 1.00 37.49 ATOM 985 HD2 ARG 63 -14.808 -25.424 27.406 1.00 41.13 ATOM 986 NE ARG 63 -14.280 -27.166 28.422 1.00 12.30 ATOM 987 HE ARG 63 -14.122 -27.184 29.395 1.00 63.41 ATOM 988 CZ ARG 63 -14.821 -28.234 27.848 1.00 73.33 ATOM 989 NH1 ARG 63 -15.053 -28.244 26.542 1.00 1.43 ATOM 990 HH11 ARG 63 -14.833 -27.460 25.966 1.00 14.22 ATOM 991 HH12 ARG 63 -15.459 -29.057 26.119 1.00 34.00 ATOM 992 NH2 ARG 63 -15.131 -29.297 28.579 1.00 13.15 ATOM 993 HH21 ARG 63 -14.958 -29.297 29.566 1.00 41.32 ATOM 994 HH22 ARG 63 -15.540 -30.104 28.147 1.00 25.45 ATOM 995 C ARG 63 -12.250 -24.738 31.391 1.00 23.45 ATOM 996 O ARG 63 -12.818 -25.363 32.286 1.00 11.04 ATOM 997 N GLU 64 -10.995 -24.980 31.024 1.00 52.44 ATOM 998 HN GLU 64 -10.589 -24.481 30.281 1.00 37.49 ATOM 999 CA GLU 64 -10.198 -26.018 31.666 1.00 4.40 ATOM 1000 HA GLU 64 -10.862 -26.736 32.137 1.00 71.25 ATOM 1001 CB GLU 64 -9.343 -26.750 30.629 1.00 33.34 ATOM 1002 HB1 GLU 64 -8.560 -27.300 31.142 1.00 37.49 ATOM 1003 HB2 GLU 64 -8.884 -26.020 29.977 1.00 51.22 ATOM 1004 CG GLU 64 -10.132 -27.724 29.769 1.00 3.42 ATOM 1005 HG1 GLU 64 -10.493 -27.199 28.897 1.00 37.49 ATOM 1006 HG2 GLU 64 -10.975 -28.104 30.332 1.00 2.50 ATOM 1007 CD GLU 64 -9.297 -28.902 29.308 1.00 71.45 ATOM 1008 OE1 GLU 64 -8.255 -28.674 28.658 1.00 33.41 ATOM 1009 OE2 GLU 64 -9.686 -30.053 29.596 1.00 34.44 ATOM 1010 C GLU 64 -9.303 -25.423 32.750 1.00 30.42 ATOM 1011 O GLU 64 -8.491 -26.125 33.353 1.00 21.22 ATOM 1012 N ARG 65 -9.458 -24.126 32.991 1.00 10.34 ATOM 1013 HN ARG 65 -10.112 -23.608 32.512 1.00 37.49 ATOM 1014 CA ARG 65 -8.664 -23.436 34.001 1.00 63.11 ATOM 1015 HA ARG 65 -8.845 -22.377 33.898 1.00 54.44 ATOM 1016 CB ARG 65 -9.086 -23.880 35.403 1.00 45.40 ATOM 1017 HB1 ARG 65 -8.491 -23.341 36.129 1.00 37.49 ATOM 1018 HB2 ARG 65 -8.886 -24.939 35.515 1.00 44.15 ATOM 1019 CG ARG 65 -10.549 -23.610 35.713 1.00 40.14 ATOM 1020 HG1 ARG 65 -10.904 -22.780 35.114 1.00 37.49 ATOM 1021 HG2 ARG 65 -10.638 -23.354 36.759 1.00 62.42 ATOM 1022 CD ARG 65 -11.413 -24.829 35.427 1.00 4.41 ATOM 1023 HD1 ARG 65 -11.023 -25.381 34.595 1.00 37.49 ATOM 1024 HD2 ARG 65 -12.407 -24.485 35.182 1.00 11.14 ATOM 1025 NE ARG 65 -11.503 -25.718 36.582 1.00 13.21 ATOM 1026 HE ARG 65 -10.986 -25.483 37.388 1.00 60.44 ATOM 1027 CZ ARG 65 -12.241 -26.822 36.603 1.00 63.41 ATOM 1028 NH1 ARG 65 -12.947 -27.172 35.537 1.00 54.10 ATOM 1029 HH11 ARG 65 -12.939 -26.620 34.704 1.00 70.31 ATOM 1030 HH12 ARG 65 -13.501 -28.007 35.561 1.00 40.11 ATOM 1031 NH2 ARG 65 -12.272 -27.580 37.692 1.00 62.44 ATOM 1032 HH21 ARG 65 -11.739 -27.322 38.501 1.00 32.21 ATOM 1033 HH22 ARG 65 -12.828 -28.413 37.711 1.00 31.25 ATOM 1034 C ARG 65 -7.175 -23.703 33.798 1.00 73.44 ATOM 1035 O ARG 65 -6.478 -24.122 34.722 1.00 62.14 ATOM 1036 N ARG 66 -6.696 -23.459 32.582 1.00 11.13 ATOM 1037 HN ARG 66 -7.294 -23.114 31.882 1.00 37.49 ATOM 1038 CA ARG 66 -5.291 -23.675 32.257 1.00 14.22 ATOM 1039 HA ARG 66 -4.797 -24.147 33.101 1.00 51.41 ATOM 1040 CB ARG 66 -5.163 -24.594 31.041 1.00 23.34 ATOM 1041 HB1 ARG 66 -4.176 -24.467 30.606 1.00 37.49 ATOM 1042 HB2 ARG 66 -5.905 -24.310 30.307 1.00 62.50 ATOM 1043 CG ARG 66 -5.358 -26.066 31.367 1.00 4.04 ATOM 1044 HG1 ARG 66 -6.415 -26.290 31.334 1.00 37.49 ATOM 1045 HG2 ARG 66 -4.976 -26.272 32.359 1.00 3.32 ATOM 1046 CD ARG 66 -4.628 -26.958 30.375 1.00 0.21 ATOM 1047 HD1 ARG 66 -3.620 -27.092 30.738 1.00 37.49 ATOM 1048 HD2 ARG 66 -4.602 -26.480 29.402 1.00 51.11 ATOM 1049 NE ARG 66 -5.272 -28.261 30.234 1.00 24.24 ATOM 1050 HE ARG 66 -6.212 -28.344 30.519 1.00 42.34 ATOM 1051 CZ ARG 66 -4.662 -29.332 29.738 1.00 53.15 ATOM 1052 NH1 ARG 66 -3.401 -29.255 29.337 1.00 41.44 ATOM 1053 HH11 ARG 66 -2.885 -28.405 29.392 1.00 55.42 ATOM 1054 HH12 ARG 66 -2.950 -30.071 28.968 1.00 50.30 ATOM 1055 NH2 ARG 66 -5.315 -30.483 29.641 1.00 21.35 ATOM 1056 HH21 ARG 66 -6.269 -30.548 29.941 1.00 62.41 ATOM 1057 HH22 ARG 66 -4.857 -31.292 29.267 1.00 23.34 ATOM 1058 C ARG 66 -4.587 -22.349 31.983 1.00 61.42 ATOM 1059 O ARG 66 -5.213 -21.377 31.562 1.00 53.24 ATOM 1060 N VAL 67 -3.280 -22.318 32.225 1.00 32.31 ATOM 1061 HN VAL 67 -2.830 -23.125 32.570 1.00 37.49 ATOM 1062 CA VAL 67 -2.490 -21.113 32.004 1.00 72.13 ATOM 1063 HA VAL 67 -3.156 -20.257 31.954 1.00 31.22 ATOM 1064 CB VAL 67 -1.500 -20.871 33.158 1.00 24.42 ATOM 1065 HB VAL 67 -0.764 -21.665 33.156 1.00 54.55 ATOM 1066 CG1 VAL 67 -0.772 -19.549 32.970 1.00 13.20 ATOM 1067 HG11 VAL 67 -0.320 -19.238 33.904 1.00 2.20 ATOM 1068 HG12 VAL 67 -1.458 -18.783 32.634 1.00 52.12 ATOM 1069 HG13 VAL 67 -0.003 -19.685 32.246 1.00 52.41 ATOM 1070 CG2 VAL 67 -2.223 -20.906 34.496 1.00 23.01 ATOM 1071 HG21 VAL 67 -2.996 -20.150 34.513 1.00 2.33 ATOM 1072 HG22 VAL 67 -1.518 -20.715 35.294 1.00 34.23 ATOM 1073 HG23 VAL 67 -2.669 -21.878 34.646 1.00 33.35 ATOM 1074 C VAL 67 -1.716 -21.197 30.693 1.00 3.42 ATOM 1075 O VAL 67 -1.368 -20.176 30.099 1.00 41.32 ATOM 1076 N HIS 68 -1.449 -22.420 30.247 1.00 45.10 ATOM 1077 HN HIS 68 -1.755 -23.205 30.745 1.00 37.49 ATOM 1078 CA HIS 68 -0.715 -22.637 29.005 1.00 75.41 ATOM 1079 HA HIS 68 -0.432 -21.690 28.593 1.00 4.22 ATOM 1080 CB HIS 68 0.554 -23.447 29.272 1.00 10.42 ATOM 1081 HB1 HIS 68 1.236 -22.825 29.829 1.00 37.49 ATOM 1082 HB2 HIS 68 1.017 -23.731 28.336 1.00 1.42 ATOM 1083 CG HIS 68 0.315 -24.688 30.076 1.00 41.41 ATOM 1084 ND1 HIS 68 0.269 -24.695 31.454 1.00 1.41 ATOM 1085 HD1 HIS 68 0.385 -23.914 32.035 1.00 33.04 ATOM 1086 CD2 HIS 68 0.106 -25.967 29.688 1.00 65.44 ATOM 1087 HD2 HIS 68 0.075 -26.331 28.670 1.00 50.35 ATOM 1088 CE1 HIS 68 0.044 -25.925 31.879 1.00 64.13 ATOM 1089 HE1 HIS 68 -0.043 -26.231 32.911 1.00 33.42 ATOM 1090 NE2 HIS 68 -0.059 -26.717 30.826 1.00 2.34 ATOM 1091 HE2 HIS 68 -0.128 -27.694 30.859 1.00 37.49 ATOM 1092 C HIS 68 -1.586 -23.358 27.979 1.00 3.05 ATOM 1093 O HIS 68 -2.366 -24.245 28.326 1.00 65.31 ATOM 1094 N VAL 69 -1.447 -22.970 26.716 1.00 53.33 ATOM 1095 HN VAL 69 -0.804 -22.264 26.495 1.00 37.49 ATOM 1096 CA VAL 69 -2.220 -23.579 25.640 1.00 54.51 ATOM 1097 HA VAL 69 -3.161 -23.939 26.052 1.00 62.21 ATOM 1098 CB VAL 69 -2.555 -22.554 24.540 1.00 40.23 ATOM 1099 HB VAL 69 -1.629 -22.182 24.122 1.00 11.40 ATOM 1100 CG1 VAL 69 -3.350 -23.211 23.422 1.00 55.30 ATOM 1101 HG11 VAL 69 -4.295 -23.547 23.815 1.00 51.41 ATOM 1102 HG12 VAL 69 -2.813 -24.046 23.010 1.00 33.32 ATOM 1103 HG13 VAL 69 -3.532 -22.487 22.645 1.00 15.52 ATOM 1104 CG2 VAL 69 -3.316 -21.374 25.125 1.00 53.01 ATOM 1105 HG21 VAL 69 -4.239 -21.720 25.569 1.00 51.03 ATOM 1106 HG22 VAL 69 -3.540 -20.662 24.342 1.00 34.20 ATOM 1107 HG23 VAL 69 -2.713 -20.890 25.880 1.00 15.43 ATOM 1108 C VAL 69 -1.468 -24.749 25.017 1.00 60.10 ATOM 1109 O VAL 69 -0.323 -24.608 24.587 1.00 43.13 ATOM 1110 N THR 70 -2.119 -25.907 24.971 1.00 75.11 ATOM 1111 HN THR 70 -3.039 -25.963 25.320 1.00 37.49 ATOM 1112 CA THR 70 -1.513 -27.103 24.401 1.00 25.42 ATOM 1113 HA THR 70 -0.441 -27.025 24.480 1.00 71.24 ATOM 1114 CB THR 70 -1.950 -28.371 25.159 1.00 14.12 ATOM 1115 HB THR 70 -1.337 -29.198 24.832 1.00 2.14 ATOM 1116 OG1 THR 70 -3.322 -28.664 24.872 1.00 71.34 ATOM 1117 HG1 THR 70 -3.894 -28.411 25.603 1.00 74.52 ATOM 1118 CG2 THR 70 -1.768 -28.195 26.659 1.00 2.41 ATOM 1119 HG21 THR 70 -0.746 -27.928 26.878 1.00 45.13 ATOM 1120 HG22 THR 70 -2.007 -29.123 27.156 1.00 13.22 ATOM 1121 HG23 THR 70 -2.428 -27.419 27.017 1.00 64.34 ATOM 1122 C THR 70 -1.874 -27.255 22.928 1.00 35.43 ATOM 1123 O THR 70 -2.820 -26.633 22.445 1.00 1.13 ATOM 1124 N GLN 71 -1.117 -28.087 22.220 1.00 1.23 ATOM 1125 HN GLN 71 -0.370 -28.556 22.665 1.00 37.49 ATOM 1126 CA GLN 71 -1.359 -28.320 20.801 1.00 12.34 ATOM 1127 HA GLN 71 -1.137 -27.405 20.271 1.00 43.00 ATOM 1128 CB GLN 71 -0.443 -29.429 20.281 1.00 1.43 ATOM 1129 HB1 GLN 71 -0.657 -30.339 20.826 1.00 37.49 ATOM 1130 HB2 GLN 71 0.585 -29.150 20.472 1.00 74.12 ATOM 1131 CG GLN 71 -0.616 -29.716 18.799 1.00 54.24 ATOM 1132 HG1 GLN 71 -1.640 -29.564 18.496 1.00 37.49 ATOM 1133 HG2 GLN 71 -0.355 -30.750 18.628 1.00 3.04 ATOM 1134 CD GLN 71 0.277 -28.853 17.929 1.00 73.43 ATOM 1135 OE1 GLN 71 0.685 -27.763 18.328 1.00 45.32 ATOM 1136 NE2 GLN 71 0.585 -29.339 16.732 1.00 51.12 ATOM 1137 HE21 GLN 71 0.246 -30.212 16.474 1.00 11.45 ATOM 1138 HE22 GLN 71 1.128 -28.780 16.151 1.00 72.34 ATOM 1139 C GLN 71 -2.817 -28.690 20.552 1.00 75.11 ATOM 1140 O GLN 71 -3.465 -28.135 19.665 1.00 11.32 ATOM 1141 N GLU 72 -3.327 -29.632 21.340 1.00 50.13 ATOM 1142 HN GLU 72 -2.755 -30.048 22.029 1.00 37.49 ATOM 1143 CA GLU 72 -4.709 -30.077 21.202 1.00 1.52 ATOM 1144 HA GLU 72 -4.802 -30.577 20.255 1.00 73.10 ATOM 1145 CB GLU 72 -5.066 -31.057 22.321 1.00 13.13 ATOM 1146 HB1 GLU 72 -6.140 -31.060 22.471 1.00 37.49 ATOM 1147 HB2 GLU 72 -4.592 -30.725 23.236 1.00 5.14 ATOM 1148 CG GLU 72 -4.639 -32.487 22.037 1.00 74.10 ATOM 1149 HG1 GLU 72 -3.688 -32.481 21.517 1.00 37.49 ATOM 1150 HG2 GLU 72 -5.385 -32.952 21.411 1.00 14.30 ATOM 1151 CD GLU 72 -4.489 -33.313 23.300 1.00 75.23 ATOM 1152 OE1 GLU 72 -5.414 -33.285 24.139 1.00 23.33 ATOM 1153 OE2 GLU 72 -3.449 -33.987 23.449 1.00 42.13 ATOM 1154 C GLU 72 -5.667 -28.889 21.226 1.00 74.32 ATOM 1155 O GLU 72 -6.716 -28.912 20.581 1.00 0.51 ATOM 1156 N ASP 73 -5.300 -27.855 21.974 1.00 42.23 ATOM 1157 HN ASP 73 -4.469 -27.901 22.493 1.00 37.49 ATOM 1158 CA ASP 73 -6.126 -26.658 22.082 1.00 43.22 ATOM 1159 HA ASP 73 -7.152 -26.964 22.246 1.00 21.11 ATOM 1160 CB ASP 73 -5.675 -25.807 23.270 1.00 32.25 ATOM 1161 HB1 ASP 73 -6.364 -24.986 23.406 1.00 37.49 ATOM 1162 HB2 ASP 73 -4.698 -25.423 23.071 1.00 22.45 ATOM 1163 CG ASP 73 -5.613 -26.602 24.560 1.00 2.52 ATOM 1164 OD1 ASP 73 -4.944 -26.141 25.509 1.00 22.23 ATOM 1165 OD2 ASP 73 -6.234 -27.683 24.621 1.00 63.10 ATOM 1166 C ASP 73 -6.061 -25.835 20.799 1.00 73.44 ATOM 1167 O ASP 73 -7.047 -25.219 20.393 1.00 34.55 ATOM 1168 N PHE 74 -4.894 -25.829 20.164 1.00 61.33 ATOM 1169 HN PHE 74 -4.133 -26.320 20.544 1.00 37.49 ATOM 1170 CA PHE 74 -4.700 -25.081 18.927 1.00 0.23 ATOM 1171 HA PHE 74 -5.112 -24.086 19.064 1.00 35.11 ATOM 1172 CB PHE 74 -3.209 -24.971 18.601 1.00 31.20 ATOM 1173 HB1 PHE 74 -3.084 -24.975 17.537 1.00 37.49 ATOM 1174 HB2 PHE 74 -2.680 -25.821 19.011 1.00 41.11 ATOM 1175 CG PHE 74 -2.572 -23.716 19.124 1.00 42.41 ATOM 1176 CD1 PHE 74 -2.068 -23.664 20.414 1.00 53.12 ATOM 1177 HD1 PHE 74 -2.137 -24.536 21.047 1.00 31.53 ATOM 1178 CD2 PHE 74 -2.476 -22.587 18.326 1.00 62.45 ATOM 1179 HD2 PHE 74 -2.865 -22.608 17.320 1.00 13.44 ATOM 1180 CE1 PHE 74 -1.482 -22.510 20.897 1.00 12.55 ATOM 1181 HE1 PHE 74 -1.093 -22.482 21.904 1.00 30.14 ATOM 1182 CE2 PHE 74 -1.890 -21.430 18.804 1.00 72.23 ATOM 1183 HE2 PHE 74 -1.821 -20.557 18.171 1.00 34.23 ATOM 1184 CZ PHE 74 -1.392 -21.392 20.091 1.00 1.31 ATOM 1185 HZ PHE 74 -0.935 -20.489 20.467 1.00 43.41 ATOM 1186 C PHE 74 -5.438 -25.744 17.768 1.00 32.44 ATOM 1187 O PHE 74 -6.255 -25.114 17.098 1.00 70.22 ATOM 1188 N GLU 75 -5.143 -27.020 17.540 1.00 73.34 ATOM 1189 HN GLU 75 -4.460 -27.457 18.102 1.00 37.49 ATOM 1190 CA GLU 75 -5.778 -27.769 16.461 1.00 0.21 ATOM 1191 HA GLU 75 -5.516 -27.295 15.525 1.00 1.03 ATOM 1192 CB GLU 75 -5.269 -29.212 16.443 1.00 4.42 ATOM 1193 HB1 GLU 75 -4.238 -29.202 16.118 1.00 37.49 ATOM 1194 HB2 GLU 75 -5.847 -29.781 15.724 1.00 22.14 ATOM 1195 CG GLU 75 -5.323 -29.893 17.800 1.00 5.13 ATOM 1196 HG1 GLU 75 -5.993 -29.375 18.448 1.00 37.49 ATOM 1197 HG2 GLU 75 -4.334 -29.875 18.226 1.00 1.14 ATOM 1198 CD GLU 75 -5.771 -31.339 17.710 1.00 51.42 ATOM 1199 OE1 GLU 75 -6.796 -31.602 17.047 1.00 61.02 ATOM 1200 OE2 GLU 75 -5.096 -32.207 18.302 1.00 14.45 ATOM 1201 C GLU 75 -7.297 -27.756 16.610 1.00 4.21 ATOM 1202 O GLU 75 -8.028 -27.768 15.620 1.00 21.34 ATOM 1203 N MET 76 -7.763 -27.731 17.854 1.00 20.33 ATOM 1204 HN MET 76 -7.137 -27.716 18.611 1.00 37.49 ATOM 1205 CA MET 76 -9.194 -27.716 18.133 1.00 33.04 ATOM 1206 HA MET 76 -9.650 -28.534 17.589 1.00 42.23 ATOM 1207 CB MET 76 -9.445 -27.892 19.632 1.00 33.32 ATOM 1208 HB1 MET 76 -10.261 -27.246 19.927 1.00 37.49 ATOM 1209 HB2 MET 76 -8.570 -27.587 20.182 1.00 1.31 ATOM 1210 CG MET 76 -9.788 -29.320 20.027 1.00 0.42 ATOM 1211 HG1 MET 76 -8.891 -29.819 20.350 1.00 37.49 ATOM 1212 HG2 MET 76 -10.199 -29.847 19.176 1.00 41.30 ATOM 1213 SD MET 76 -10.996 -29.400 21.364 1.00 44.52 ATOM 1214 CE MET 76 -12.457 -28.775 20.537 1.00 21.34 ATOM 1215 HE1 MET 76 -12.304 -27.746 20.256 1.00 30.33 ATOM 1216 HE2 MET 76 -13.304 -28.843 21.204 1.00 12.11 ATOM 1217 HE3 MET 76 -12.649 -29.365 19.653 1.00 65.43 ATOM 1218 C MET 76 -9.829 -26.416 17.649 1.00 23.12 ATOM 1219 O MET 76 -10.883 -26.428 17.014 1.00 2.03 ATOM 1220 N ALA 77 -9.180 -25.297 17.954 1.00 41.15 ATOM 1221 HN ALA 77 -8.342 -25.349 18.474 1.00 37.49 ATOM 1222 CA ALA 77 -9.680 -23.989 17.548 1.00 72.43 ATOM 1223 HA ALA 77 -10.669 -23.859 17.968 1.00 34.21 ATOM 1224 CB ALA 77 -8.788 -22.888 18.100 1.00 44.00 ATOM 1225 HB1 ALA 77 -7.751 -23.176 17.994 1.00 44.01 ATOM 1226 HB2 ALA 77 -9.012 -22.739 19.143 1.00 44.25 ATOM 1227 HB3 ALA 77 -8.956 -21.973 17.565 1.00 64.41 ATOM 1228 C ALA 77 -9.775 -23.885 16.029 1.00 4.23 ATOM 1229 O ALA 77 -10.675 -23.236 15.496 1.00 30.13 ATOM 1230 N VAL 78 -8.839 -24.527 15.337 1.00 21.01 ATOM 1231 HN VAL 78 -8.146 -25.037 15.815 1.00 37.49 ATOM 1232 CA VAL 78 -8.817 -24.506 13.879 1.00 30.54 ATOM 1233 HA VAL 78 -8.840 -23.472 13.553 1.00 50.34 ATOM 1234 CB VAL 78 -7.535 -25.159 13.328 1.00 12.31 ATOM 1235 HB VAL 78 -7.504 -26.189 13.657 1.00 35.14 ATOM 1236 CG1 VAL 78 -7.541 -25.146 11.807 1.00 33.31 ATOM 1237 HG11 VAL 78 -8.257 -25.867 11.443 1.00 72.42 ATOM 1238 HG12 VAL 78 -6.562 -25.407 11.432 1.00 20.23 ATOM 1239 HG13 VAL 78 -7.815 -24.165 11.457 1.00 62.03 ATOM 1240 CG2 VAL 78 -6.302 -24.451 13.870 1.00 34.54 ATOM 1241 HG21 VAL 78 -6.288 -23.433 13.520 1.00 74.50 ATOM 1242 HG22 VAL 78 -5.424 -24.960 13.511 1.00 3.54 ATOM 1243 HG23 VAL 78 -6.304 -24.462 14.940 1.00 55.35 ATOM 1244 C VAL 78 -10.030 -25.227 13.301 1.00 1.04 ATOM 1245 O VAL 78 -10.711 -24.707 12.419 1.00 52.44 ATOM 1246 N ALA 79 -10.294 -26.428 13.806 1.00 41.21 ATOM 1247 HN ALA 79 -9.708 -26.796 14.511 1.00 37.49 ATOM 1248 CA ALA 79 -11.426 -27.219 13.342 1.00 74.33 ATOM 1249 HA ALA 79 -11.320 -27.369 12.275 1.00 50.34 ATOM 1250 CB ALA 79 -11.424 -28.587 14.009 1.00 2.52 ATOM 1251 HB1 ALA 79 -11.549 -28.472 15.077 1.00 5.33 ATOM 1252 HB2 ALA 79 -10.484 -29.080 13.810 1.00 61.23 ATOM 1253 HB3 ALA 79 -12.233 -29.186 13.614 1.00 72.23 ATOM 1254 C ALA 79 -12.745 -26.501 13.609 1.00 44.34 ATOM 1255 O ALA 79 -13.744 -26.743 12.932 1.00 72.11 ATOM 1256 N LYS 80 -12.741 -25.616 14.600 1.00 45.33 ATOM 1257 HN LYS 80 -11.929 -25.478 15.136 1.00 37.49 ATOM 1258 CA LYS 80 -13.936 -24.861 14.957 1.00 44.43 ATOM 1259 HA LYS 80 -14.800 -25.493 14.809 1.00 64.53 ATOM 1260 CB LYS 80 -13.878 -24.440 16.427 1.00 31.52 ATOM 1261 HB1 LYS 80 -13.019 -23.796 16.565 1.00 37.49 ATOM 1262 HB2 LYS 80 -13.740 -25.320 17.039 1.00 23.00 ATOM 1263 CG LYS 80 -15.110 -23.682 16.892 1.00 65.42 ATOM 1264 HG1 LYS 80 -15.660 -23.278 16.053 1.00 37.49 ATOM 1265 HG2 LYS 80 -14.787 -22.867 17.522 1.00 5.54 ATOM 1266 CD LYS 80 -16.037 -24.570 17.706 1.00 44.45 ATOM 1267 HD1 LYS 80 -16.821 -23.956 18.125 1.00 37.49 ATOM 1268 HD2 LYS 80 -15.481 -25.033 18.509 1.00 51.14 ATOM 1269 CE LYS 80 -16.673 -25.650 16.844 1.00 42.41 ATOM 1270 HE1 LYS 80 -16.720 -25.325 15.813 1.00 37.49 ATOM 1271 HE2 LYS 80 -17.677 -25.821 17.203 1.00 25.33 ATOM 1272 NZ LYS 80 -15.921 -26.933 16.918 1.00 0.11 ATOM 1273 HZ1 LYS 80 -15.723 -27.186 17.910 1.00 23.52 ATOM 1274 HZ2 LYS 80 -15.028 -26.873 16.405 1.00 52.33 ATOM 1275 HZ3 LYS 80 -16.490 -27.694 16.496 1.00 44.50 ATOM 1276 C LYS 80 -14.085 -23.628 14.070 1.00 35.25 ATOM 1277 O LYS 80 -15.130 -23.419 13.453 1.00 45.43 ATOM 1278 N VAL 81 -13.035 -22.816 14.012 1.00 41.25 ATOM 1279 HN VAL 81 -12.218 -23.054 14.509 1.00 37.49 ATOM 1280 CA VAL 81 -13.049 -21.606 13.199 1.00 40.44 ATOM 1281 HA VAL 81 -13.908 -21.012 13.490 1.00 24.32 ATOM 1282 CB VAL 81 -11.780 -20.763 13.424 1.00 25.04 ATOM 1283 HB VAL 81 -10.919 -21.353 13.139 1.00 51.15 ATOM 1284 CG1 VAL 81 -11.807 -19.513 12.558 1.00 61.21 ATOM 1285 HG11 VAL 81 -12.744 -18.990 12.696 1.00 34.44 ATOM 1286 HG12 VAL 81 -11.693 -19.781 11.519 1.00 62.55 ATOM 1287 HG13 VAL 81 -10.992 -18.858 12.838 1.00 23.15 ATOM 1288 CG2 VAL 81 -11.636 -20.399 14.895 1.00 74.55 ATOM 1289 HG21 VAL 81 -11.880 -21.235 15.525 1.00 45.14 ATOM 1290 HG22 VAL 81 -12.292 -19.574 15.140 1.00 43.11 ATOM 1291 HG23 VAL 81 -10.618 -20.111 15.079 1.00 63.23 ATOM 1292 C VAL 81 -13.166 -21.941 11.716 1.00 13.20 ATOM 1293 O VAL 81 -13.684 -21.148 10.929 1.00 23.53 ATOM 1294 N MET 82 -12.682 -23.121 11.342 1.00 55.43 ATOM 1295 HN MET 82 -12.263 -23.717 12.005 1.00 37.49 ATOM 1296 CA MET 82 -12.735 -23.562 9.953 1.00 42.23 ATOM 1297 HA MET 82 -12.797 -22.694 9.308 1.00 21.04 ATOM 1298 CB MET 82 -11.468 -24.340 9.594 1.00 24.55 ATOM 1299 HB1 MET 82 -11.541 -24.676 8.569 1.00 37.49 ATOM 1300 HB2 MET 82 -11.400 -25.209 10.231 1.00 21.33 ATOM 1301 CG MET 82 -10.191 -23.531 9.754 1.00 51.40 ATOM 1302 HG1 MET 82 -9.349 -24.204 9.693 1.00 37.49 ATOM 1303 HG2 MET 82 -10.190 -23.047 10.719 1.00 60.45 ATOM 1304 SD MET 82 -10.006 -22.268 8.480 1.00 22.11 ATOM 1305 CE MET 82 -9.717 -23.285 7.035 1.00 60.44 ATOM 1306 HE1 MET 82 -9.966 -24.314 7.240 1.00 62.32 ATOM 1307 HE2 MET 82 -8.678 -23.222 6.755 1.00 1.40 ATOM 1308 HE3 MET 82 -10.328 -22.927 6.221 1.00 30.03 ATOM 1309 C MET 82 -13.965 -24.428 9.703 1.00 14.13 ATOM 1310 O MET 82 -14.468 -24.498 8.582 1.00 32.23 ATOM 1311 N GLN 83 -14.444 -25.085 10.755 1.00 52.22 ATOM 1312 HN GLN 83 -14.004 -25.017 11.629 1.00 37.49 ATOM 1313 CA GLN 83 -15.615 -25.947 10.648 1.00 54.30 ATOM 1314 HA GLN 83 -15.771 -26.418 11.606 1.00 73.32 ATOM 1315 CB GLN 83 -16.853 -25.119 10.298 1.00 75.41 ATOM 1316 HB1 GLN 83 -17.730 -25.732 10.447 1.00 37.49 ATOM 1317 HB2 GLN 83 -16.804 -24.823 9.257 1.00 54.02 ATOM 1318 CG GLN 83 -17.003 -23.862 11.139 1.00 44.22 ATOM 1319 HG1 GLN 83 -16.126 -23.245 11.006 1.00 37.49 ATOM 1320 HG2 GLN 83 -17.082 -24.149 12.177 1.00 44.53 ATOM 1321 CD GLN 83 -18.221 -23.045 10.756 1.00 44.43 ATOM 1322 OE1 GLN 83 -18.230 -22.368 9.727 1.00 2.53 ATOM 1323 NE2 GLN 83 -19.258 -23.104 11.583 1.00 44.20 ATOM 1324 HE21 GLN 83 -19.197 -23.662 12.391 1.00 35.34 ATOM 1325 HE22 GLN 83 -20.054 -22.582 11.352 1.00 5.04 ATOM 1326 C GLN 83 -15.400 -27.031 9.597 1.00 44.52 ATOM 1327 O GLN 83 -16.209 -27.194 8.683 1.00 25.53 ATOM 1328 N LYS 84 -14.303 -27.769 9.732 1.00 40.52 ATOM 1329 HN LYS 84 -13.681 -27.583 10.476 1.00 37.49 ATOM 1330 CA LYS 84 -13.980 -28.838 8.795 1.00 42.02 ATOM 1331 HA LYS 84 -14.900 -29.203 8.349 1.00 25.42 ATOM 1332 CB LYS 84 -13.061 -28.315 7.689 1.00 40.54 ATOM 1333 HB1 LYS 84 -12.575 -29.154 7.201 1.00 37.49 ATOM 1334 HB2 LYS 84 -12.303 -27.684 8.134 1.00 0.02 ATOM 1335 CG LYS 84 -13.788 -27.512 6.623 1.00 24.03 ATOM 1336 HG1 LYS 84 -14.244 -26.649 7.087 1.00 37.49 ATOM 1337 HG2 LYS 84 -14.557 -28.137 6.188 1.00 3.25 ATOM 1338 CD LYS 84 -12.838 -27.045 5.533 1.00 53.32 ATOM 1339 HD1 LYS 84 -12.162 -27.851 5.274 1.00 37.49 ATOM 1340 HD2 LYS 84 -12.269 -26.204 5.900 1.00 0.22 ATOM 1341 CE LYS 84 -13.592 -26.627 4.279 1.00 22.22 ATOM 1342 HE1 LYS 84 -14.473 -27.244 4.155 1.00 37.49 ATOM 1343 HE2 LYS 84 -12.941 -26.767 3.429 1.00 11.33 ATOM 1344 NZ LYS 84 -14.003 -25.197 4.330 1.00 53.12 ATOM 1345 HZ1 LYS 84 -14.514 -24.944 3.460 1.00 23.13 ATOM 1346 HZ2 LYS 84 -13.167 -24.582 4.415 1.00 65.45 ATOM 1347 HZ3 LYS 84 -14.629 -25.029 5.146 1.00 11.33 ATOM 1348 C LYS 84 -13.314 -30.007 9.513 1.00 64.43 ATOM 1349 O LYS 84 -12.713 -29.836 10.574 1.00 54.12 ATOM 1350 N ASP 85 -13.422 -31.195 8.927 1.00 52.43 ATOM 1351 HN ASP 85 -13.903 -31.269 8.068 1.00 37.49 ATOM 1352 CA ASP 85 -12.828 -32.392 9.509 1.00 21.14 ATOM 1353 HA ASP 85 -12.819 -32.288 10.588 1.00 34.31 ATOM 1354 CB ASP 85 -13.659 -33.625 9.152 1.00 32.34 ATOM 1355 HB1 ASP 85 -13.751 -33.691 8.078 1.00 37.49 ATOM 1356 HB2 ASP 85 -14.642 -33.527 9.588 1.00 22.14 ATOM 1357 CG ASP 85 -13.036 -34.910 9.661 1.00 32.50 ATOM 1358 OD1 ASP 85 -13.244 -35.242 10.847 1.00 4.13 ATOM 1359 OD2 ASP 85 -12.342 -35.585 8.873 1.00 60.34 ATOM 1360 C ASP 85 -11.392 -32.575 9.029 1.00 43.13 ATOM 1361 O ASP 85 -10.459 -32.618 9.831 1.00 60.32 ATOM 1362 N SER 86 -11.222 -32.683 7.715 1.00 41.42 ATOM 1363 HN SER 86 -12.001 -32.637 7.115 1.00 37.49 ATOM 1364 HA SER 86 -9.158 -32.906 7.916 1.00 54.53 ATOM 1365 CB SER 86 -9.842 -34.182 6.350 1.00 71.13 ATOM 1366 HB1 SER 86 -10.086 -34.999 7.014 1.00 37.49 ATOM 1367 HB2 SER 86 -8.846 -34.327 5.956 1.00 10.23 ATOM 1368 OG SER 86 -10.764 -34.179 5.273 1.00 23.33 ATOM 1369 HG SER 86 -11.644 -34.381 5.600 1.00 75.45 ATOM 1370 CA SER 86 -9.900 -32.866 7.127 1.00 1.24 ATOM 1371 C SER 86 -9.549 -31.702 6.206 1.00 42.32 ATOM 1372 OT1 SER 86 -10.336 -31.422 5.274 1.00 37.49 ATOM 1373 OT2 SER 86 -8.489 -31.076 6.421 1.00 37.49 ATOM 1374 OH2 TIP3 1 -19.562 -36.706 5.596 0.00 0.00 WAT1 ATOM 1375 H1 TIP3 1 -19.600 -37.352 6.301 0.00 0.00 WAT1 ATOM 1376 H2 TIP3 1 -19.885 -37.172 4.825 0.00 0.00 WAT1 ATOM 1377 OH2 TIP3 2 -15.856 -33.767 3.898 0.00 0.00 WAT1 ATOM 1378 H1 TIP3 2 -16.297 -34.487 4.348 0.00 0.00 WAT1 ATOM 1379 H2 TIP3 2 -15.869 -33.046 4.528 0.00 0.00 WAT1 ATOM 1380 OH2 TIP3 3 -18.745 -28.662 4.110 0.00 0.00 WAT1 ATOM 1381 H1 TIP3 3 -18.125 -29.339 3.837 0.00 0.00 WAT1 ATOM 1382 H2 TIP3 3 -18.953 -28.880 5.018 0.00 0.00 WAT1 ATOM 1383 OH2 TIP3 4 -12.510 -42.672 6.863 0.00 0.00 WAT1 ATOM 1384 H1 TIP3 4 -12.461 -42.062 7.599 0.00 0.00 WAT1 ATOM 1385 H2 TIP3 4 -12.084 -42.211 6.140 0.00 0.00 WAT1 ATOM 1386 OH2 TIP3 5 -18.032 -39.879 6.330 0.00 0.00 WAT1 ATOM 1387 H1 TIP3 5 -17.889 -40.826 6.350 0.00 0.00 WAT1 ATOM 1388 H2 TIP3 5 -18.138 -39.672 5.401 0.00 0.00 WAT1 ATOM 1389 OH2 TIP3 6 -12.118 -41.194 9.099 0.00 0.00 WAT1 ATOM 1390 H1 TIP3 6 -12.807 -40.536 9.004 0.00 0.00 WAT1 ATOM 1391 H2 TIP3 6 -12.103 -41.391 10.036 0.00 0.00 WAT1 ATOM 1392 OH2 TIP3 7 -17.092 -30.146 2.871 0.00 0.00 WAT1 ATOM 1393 H1 TIP3 7 -16.667 -30.853 2.386 0.00 0.00 WAT1 ATOM 1394 H2 TIP3 7 -16.775 -29.345 2.454 0.00 0.00 WAT1 ATOM 1395 OH2 TIP3 8 -15.933 -32.245 1.380 0.00 0.00 WAT1 ATOM 1396 H1 TIP3 8 -16.190 -32.935 0.768 0.00 0.00 WAT1 ATOM 1397 H2 TIP3 8 -15.862 -32.688 2.225 0.00 0.00 WAT1 ATOM 1398 OH2 TIP3 9 -16.368 -36.507 0.581 0.00 0.00 WAT1 ATOM 1399 H1 TIP3 9 -17.100 -36.279 1.154 0.00 0.00 WAT1 ATOM 1400 H2 TIP3 9 -15.921 -37.221 1.036 0.00 0.00 WAT1 ATOM 1401 OH2 TIP3 10 -16.471 -38.333 9.649 0.00 0.00 WAT1 ATOM 1402 H1 TIP3 10 -16.391 -37.570 10.221 0.00 0.00 WAT1 ATOM 1403 H2 TIP3 10 -17.072 -38.054 8.958 0.00 0.00 WAT1 ATOM 1404 OH2 TIP3 11 -18.047 -31.605 6.831 0.00 0.00 WAT1 ATOM 1405 H1 TIP3 11 -18.288 -30.943 7.479 0.00 0.00 WAT1 ATOM 1406 H2 TIP3 11 -18.245 -32.439 7.256 0.00 0.00 WAT1 ATOM 1407 OH2 TIP3 12 -19.771 -30.608 1.701 0.00 0.00 WAT1 ATOM 1408 H1 TIP3 12 -19.297 -30.313 2.479 0.00 0.00 WAT1 ATOM 1409 H2 TIP3 12 -20.334 -29.870 1.468 0.00 0.00 WAT1 ATOM 1410 OH2 TIP3 13 -20.713 -31.424 10.310 0.00 0.00 WAT1 ATOM 1411 H1 TIP3 13 -20.626 -30.598 10.785 0.00 0.00 WAT1 ATOM 1412 H2 TIP3 13 -21.577 -31.754 10.559 0.00 0.00 WAT1 ATOM 1413 OH2 TIP3 14 -20.299 -27.652 0.116 0.00 0.00 WAT1 ATOM 1414 H1 TIP3 14 -20.374 -27.773 -0.830 0.00 0.00 WAT1 ATOM 1415 H2 TIP3 14 -20.266 -26.702 0.235 0.00 0.00 WAT1 ATOM 1416 OH2 TIP3 15 -17.528 -28.572 -0.132 0.00 0.00 WAT1 ATOM 1417 H1 TIP3 15 -18.463 -28.472 0.047 0.00 0.00 WAT1 ATOM 1418 H2 TIP3 15 -17.248 -29.281 0.446 0.00 0.00 WAT1 ATOM 1419 OH2 TIP3 16 -14.540 -39.505 11.914 0.00 0.00 WAT1 ATOM 1420 H1 TIP3 16 -14.947 -39.024 11.194 0.00 0.00 WAT1 ATOM 1421 H2 TIP3 16 -14.499 -40.410 11.607 0.00 0.00 WAT1 ATOM 1422 OH2 TIP3 17 -16.783 -41.173 10.135 0.00 0.00 WAT1 ATOM 1423 H1 TIP3 17 -17.297 -41.299 10.932 0.00 0.00 WAT1 ATOM 1424 H2 TIP3 17 -16.938 -40.261 9.890 0.00 0.00 WAT1 ATOM 1425 OH2 TIP3 18 -20.046 -38.873 12.219 0.00 0.00 WAT1 ATOM 1426 H1 TIP3 18 -20.609 -39.577 12.539 0.00 0.00 WAT1 ATOM 1427 H2 TIP3 18 -19.220 -38.993 12.686 0.00 0.00 WAT1 ATOM 1428 OH2 TIP3 19 -18.880 -37.964 8.216 0.00 0.00 WAT1 ATOM 1429 H1 TIP3 19 -18.556 -38.595 7.573 0.00 0.00 WAT1 ATOM 1430 H2 TIP3 19 -19.320 -38.499 8.877 0.00 0.00 WAT1 ATOM 1431 OH2 TIP3 20 -20.092 -34.464 10.223 0.00 0.00 WAT1 ATOM 1432 H1 TIP3 20 -20.438 -34.845 11.029 0.00 0.00 WAT1 ATOM 1433 H2 TIP3 20 -20.292 -33.530 10.294 0.00 0.00 WAT1 ATOM 1434 OH2 TIP3 21 -17.842 -32.002 10.173 0.00 0.00 WAT1 ATOM 1435 H1 TIP3 21 -18.743 -31.819 9.905 0.00 0.00 WAT1 ATOM 1436 H2 TIP3 21 -17.808 -31.743 11.094 0.00 0.00 WAT1 ATOM 1437 OH2 TIP3 22 -13.815 -30.971 -0.995 0.00 0.00 WAT1 ATOM 1438 H1 TIP3 22 -14.188 -31.797 -0.685 0.00 0.00 WAT1 ATOM 1439 H2 TIP3 22 -13.538 -31.154 -1.892 0.00 0.00 WAT1 ATOM 1440 OH2 TIP3 23 -16.655 -36.163 6.027 0.00 0.00 WAT1 ATOM 1441 H1 TIP3 23 -17.583 -36.395 6.000 0.00 0.00 WAT1 ATOM 1442 H2 TIP3 23 -16.204 -36.940 5.697 0.00 0.00 WAT1 ATOM 1443 OH2 TIP3 24 -22.170 -30.023 8.051 0.00 0.00 WAT1 ATOM 1444 H1 TIP3 24 -21.807 -29.168 7.818 0.00 0.00 WAT1 ATOM 1445 H2 TIP3 24 -21.638 -30.315 8.792 0.00 0.00 WAT1 ATOM 1446 OH2 TIP3 25 -18.626 -33.924 7.752 0.00 0.00 WAT1 ATOM 1447 H1 TIP3 25 -19.052 -34.151 8.578 0.00 0.00 WAT1 ATOM 1448 H2 TIP3 25 -18.045 -34.662 7.569 0.00 0.00 WAT1 ATOM 1449 OH2 TIP3 26 -11.919 -28.515 -2.973 0.00 0.00 WAT1 ATOM 1450 H1 TIP3 26 -11.176 -27.929 -3.113 0.00 0.00 WAT1 ATOM 1451 H2 TIP3 26 -12.614 -27.947 -2.640 0.00 0.00 WAT1 ATOM 1452 OH2 TIP3 27 -15.557 -34.322 -0.948 0.00 0.00 WAT1 ATOM 1453 H1 TIP3 27 -15.834 -35.050 -0.392 0.00 0.00 WAT1 ATOM 1454 H2 TIP3 27 -14.630 -34.203 -0.742 0.00 0.00 WAT1 ATOM 1455 OH2 TIP3 28 -14.386 -42.125 10.470 0.00 0.00 WAT1 ATOM 1456 H1 TIP3 28 -15.302 -41.862 10.382 0.00 0.00 WAT1 ATOM 1457 H2 TIP3 28 -14.050 -42.128 9.573 0.00 0.00 WAT1 ATOM 1458 OH2 TIP3 29 -15.784 -38.374 4.566 0.00 0.00 WAT1 ATOM 1459 H1 TIP3 29 -16.581 -38.789 4.237 0.00 0.00 WAT1 ATOM 1460 H2 TIP3 29 -15.339 -39.065 5.057 0.00 0.00 WAT1 ATOM 1461 OH2 TIP3 30 -17.809 -31.148 12.765 0.00 0.00 WAT1 ATOM 1462 H1 TIP3 30 -18.160 -32.004 13.008 0.00 0.00 WAT1 ATOM 1463 H2 TIP3 30 -17.083 -31.005 13.372 0.00 0.00 WAT1 ATOM 1464 OH2 TIP3 31 -19.277 -35.957 13.442 0.00 0.00 WAT1 ATOM 1465 H1 TIP3 31 -18.324 -35.873 13.414 0.00 0.00 WAT1 ATOM 1466 H2 TIP3 31 -19.437 -36.668 14.061 0.00 0.00 WAT1 ATOM 1467 OH2 TIP3 32 -17.547 -39.449 14.007 0.00 0.00 WAT1 ATOM 1468 H1 TIP3 32 -17.355 -40.380 13.896 0.00 0.00 WAT1 ATOM 1469 H2 TIP3 32 -16.690 -39.024 13.997 0.00 0.00 WAT1 ATOM 1470 OH2 TIP3 33 -12.666 -34.854 -0.509 0.00 0.00 WAT1 ATOM 1471 H1 TIP3 33 -11.816 -34.433 -0.381 0.00 0.00 WAT1 ATOM 1472 H2 TIP3 33 -12.661 -35.594 0.099 0.00 0.00 WAT1 ATOM 1473 OH2 TIP3 34 -12.272 -36.801 1.315 0.00 0.00 WAT1 ATOM 1474 H1 TIP3 34 -12.998 -37.280 1.713 0.00 0.00 WAT1 ATOM 1475 H2 TIP3 34 -11.691 -36.595 2.047 0.00 0.00 WAT1 ATOM 1476 OH2 TIP3 35 -14.485 -38.280 1.878 0.00 0.00 WAT1 ATOM 1477 H1 TIP3 35 -14.635 -39.225 1.858 0.00 0.00 WAT1 ATOM 1478 H2 TIP3 35 -14.839 -37.999 2.722 0.00 0.00 WAT1 ATOM 1479 OH2 TIP3 36 -14.163 -40.116 5.776 0.00 0.00 WAT1 ATOM 1480 H1 TIP3 36 -13.230 -39.904 5.742 0.00 0.00 WAT1 ATOM 1481 H2 TIP3 36 -14.398 -40.014 6.699 0.00 0.00 WAT1 ATOM 1482 OH2 TIP3 37 -14.134 -39.379 8.552 0.00 0.00 WAT1 ATOM 1483 H1 TIP3 37 -14.977 -39.111 8.918 0.00 0.00 WAT1 ATOM 1484 H2 TIP3 37 -13.691 -38.557 8.341 0.00 0.00 WAT1 ATOM 1485 OH2 TIP3 38 -20.593 -29.075 11.750 0.00 0.00 WAT1 ATOM 1486 H1 TIP3 38 -20.408 -29.409 12.628 0.00 0.00 WAT1 ATOM 1487 H2 TIP3 38 -19.746 -28.766 11.428 0.00 0.00 WAT1 ATOM 1488 OH2 TIP3 39 -20.324 -27.730 7.044 0.00 0.00 WAT1 ATOM 1489 H1 TIP3 39 -20.781 -27.201 6.390 0.00 0.00 WAT1 ATOM 1490 H2 TIP3 39 -20.161 -27.127 7.769 0.00 0.00 WAT1 ATOM 1491 OH2 TIP3 40 -13.263 -28.598 -0.003 0.00 0.00 WAT1 ATOM 1492 H1 TIP3 40 -13.457 -29.346 -0.568 0.00 0.00 WAT1 ATOM 1493 H2 TIP3 40 -13.302 -27.840 -0.587 0.00 0.00 WAT1 ATOM 1494 OH2 TIP3 41 -15.856 -33.767 22.754 0.00 0.00 WAT1 ATOM 1495 H1 TIP3 41 -16.297 -34.487 23.204 0.00 0.00 WAT1 ATOM 1496 H2 TIP3 41 -15.869 -33.046 23.384 0.00 0.00 WAT1 ATOM 1497 OH2 TIP3 42 -18.745 -28.662 22.966 0.00 0.00 WAT1 ATOM 1498 H1 TIP3 42 -18.125 -29.339 22.693 0.00 0.00 WAT1 ATOM 1499 H2 TIP3 42 -18.953 -28.880 23.874 0.00 0.00 WAT1 ATOM 1500 OH2 TIP3 43 -18.698 -33.360 20.076 0.00 0.00 WAT1 ATOM 1501 H1 TIP3 43 -18.994 -33.682 19.225 0.00 0.00 WAT1 ATOM 1502 H2 TIP3 43 -19.022 -32.460 20.118 0.00 0.00 WAT1 ATOM 1503 OH2 TIP3 44 -17.092 -30.146 21.727 0.00 0.00 WAT1 ATOM 1504 H1 TIP3 44 -16.667 -30.853 21.242 0.00 0.00 WAT1 ATOM 1505 H2 TIP3 44 -16.775 -29.345 21.310 0.00 0.00 WAT1 ATOM 1506 OH2 TIP3 45 -15.933 -32.245 20.236 0.00 0.00 WAT1 ATOM 1507 H1 TIP3 45 -16.190 -32.935 19.624 0.00 0.00 WAT1 ATOM 1508 H2 TIP3 45 -15.862 -32.688 21.081 0.00 0.00 WAT1 ATOM 1509 OH2 TIP3 46 -14.247 -33.679 28.713 0.00 0.00 WAT1 ATOM 1510 H1 TIP3 46 -14.107 -34.270 27.974 0.00 0.00 WAT1 ATOM 1511 H2 TIP3 46 -14.079 -32.806 28.357 0.00 0.00 WAT1 ATOM 1512 OH2 TIP3 47 -18.047 -31.605 25.687 0.00 0.00 WAT1 ATOM 1513 H1 TIP3 47 -18.288 -30.943 26.335 0.00 0.00 WAT1 ATOM 1514 H2 TIP3 47 -18.245 -32.439 26.112 0.00 0.00 WAT1 ATOM 1515 OH2 TIP3 48 -17.497 -37.345 17.122 0.00 0.00 WAT1 ATOM 1516 H1 TIP3 48 -16.918 -37.195 17.869 0.00 0.00 WAT1 ATOM 1517 H2 TIP3 48 -17.083 -36.874 16.399 0.00 0.00 WAT1 ATOM 1518 OH2 TIP3 49 -19.771 -30.608 20.557 0.00 0.00 WAT1 ATOM 1519 H1 TIP3 49 -19.297 -30.313 21.335 0.00 0.00 WAT1 ATOM 1520 H2 TIP3 49 -20.334 -29.870 20.324 0.00 0.00 WAT1 ATOM 1521 OH2 TIP3 50 -20.713 -31.424 29.166 0.00 0.00 WAT1 ATOM 1522 H1 TIP3 50 -20.626 -30.598 29.641 0.00 0.00 WAT1 ATOM 1523 H2 TIP3 50 -21.577 -31.754 29.415 0.00 0.00 WAT1 ATOM 1524 OH2 TIP3 51 -20.299 -27.652 18.972 0.00 0.00 WAT1 ATOM 1525 H1 TIP3 51 -20.374 -27.773 18.026 0.00 0.00 WAT1 ATOM 1526 H2 TIP3 51 -20.266 -26.702 19.091 0.00 0.00 WAT1 ATOM 1527 OH2 TIP3 52 -16.020 -36.312 14.752 0.00 0.00 WAT1 ATOM 1528 H1 TIP3 52 -15.978 -36.535 13.822 0.00 0.00 WAT1 ATOM 1529 H2 TIP3 52 -15.171 -35.914 14.942 0.00 0.00 WAT1 ATOM 1530 OH2 TIP3 53 -14.462 -35.515 26.628 0.00 0.00 WAT1 ATOM 1531 H1 TIP3 53 -13.820 -35.058 26.085 0.00 0.00 WAT1 ATOM 1532 H2 TIP3 53 -15.292 -35.402 26.166 0.00 0.00 WAT1 ATOM 1533 OH2 TIP3 54 -20.092 -34.464 29.079 0.00 0.00 WAT1 ATOM 1534 H1 TIP3 54 -20.438 -34.845 29.885 0.00 0.00 WAT1 ATOM 1535 H2 TIP3 54 -20.292 -33.530 29.150 0.00 0.00 WAT1 ATOM 1536 OH2 TIP3 55 -19.486 -33.189 16.867 0.00 0.00 WAT1 ATOM 1537 H1 TIP3 55 -19.781 -32.363 17.249 0.00 0.00 WAT1 ATOM 1538 H2 TIP3 55 -20.189 -33.809 17.063 0.00 0.00 WAT1 ATOM 1539 OH2 TIP3 56 -12.147 -33.957 30.233 0.00 0.00 WAT1 ATOM 1540 H1 TIP3 56 -12.999 -33.719 29.866 0.00 0.00 WAT1 ATOM 1541 H2 TIP3 56 -11.557 -33.974 29.480 0.00 0.00 WAT1 ATOM 1542 OH2 TIP3 57 -16.655 -36.163 24.883 0.00 0.00 WAT1 ATOM 1543 H1 TIP3 57 -17.583 -36.395 24.856 0.00 0.00 WAT1 ATOM 1544 H2 TIP3 57 -16.204 -36.940 24.553 0.00 0.00 WAT1 ATOM 1545 OH2 TIP3 58 -22.170 -30.023 26.907 0.00 0.00 WAT1 ATOM 1546 H1 TIP3 58 -21.807 -29.168 26.674 0.00 0.00 WAT1 ATOM 1547 H2 TIP3 58 -21.638 -30.315 27.648 0.00 0.00 WAT1 ATOM 1548 OH2 TIP3 59 -18.626 -33.924 26.608 0.00 0.00 WAT1 ATOM 1549 H1 TIP3 59 -19.052 -34.151 27.434 0.00 0.00 WAT1 ATOM 1550 H2 TIP3 59 -18.045 -34.662 26.425 0.00 0.00 WAT1 ATOM 1551 OH2 TIP3 60 -16.423 -32.995 15.682 0.00 0.00 WAT1 ATOM 1552 H1 TIP3 60 -16.070 -33.375 16.486 0.00 0.00 WAT1 ATOM 1553 H2 TIP3 60 -17.372 -33.088 15.768 0.00 0.00 WAT1 ATOM 1554 OH2 TIP3 61 -15.557 -34.322 17.908 0.00 0.00 WAT1 ATOM 1555 H1 TIP3 61 -15.834 -35.050 18.464 0.00 0.00 WAT1 ATOM 1556 H2 TIP3 61 -14.630 -34.203 18.114 0.00 0.00 WAT1 ATOM 1557 OH2 TIP3 62 -20.657 -30.615 17.334 0.00 0.00 WAT1 ATOM 1558 H1 TIP3 62 -21.474 -30.118 17.387 0.00 0.00 WAT1 ATOM 1559 H2 TIP3 62 -20.128 -30.140 16.694 0.00 0.00 WAT1 ATOM 1560 OH2 TIP3 63 -23.319 -29.572 17.316 0.00 0.00 WAT1 ATOM 1561 H1 TIP3 63 -23.158 -28.772 16.815 0.00 0.00 WAT1 ATOM 1562 H2 TIP3 63 -23.516 -29.265 18.201 0.00 0.00 WAT1 ATOM 1563 OH2 TIP3 64 -20.294 -30.020 14.267 0.00 0.00 WAT1 ATOM 1564 H1 TIP3 64 -20.938 -30.651 14.589 0.00 0.00 WAT1 ATOM 1565 H2 TIP3 64 -19.532 -30.551 14.035 0.00 0.00 WAT1 ATOM 1566 OH2 TIP3 65 -17.809 -31.148 31.621 0.00 0.00 WAT1 ATOM 1567 H1 TIP3 65 -18.160 -32.004 31.864 0.00 0.00 WAT1 ATOM 1568 H2 TIP3 65 -17.083 -31.005 32.228 0.00 0.00 WAT1 ATOM 1569 OH2 TIP3 66 -15.690 -30.203 14.501 0.00 0.00 WAT1 ATOM 1570 H1 TIP3 66 -15.407 -30.997 14.954 0.00 0.00 WAT1 ATOM 1571 H2 TIP3 66 -14.950 -29.970 13.940 0.00 0.00 WAT1 ATOM 1572 OH2 TIP3 67 -19.383 -33.246 14.094 0.00 0.00 WAT1 ATOM 1573 H1 TIP3 67 -19.651 -33.066 14.995 0.00 0.00 WAT1 ATOM 1574 H2 TIP3 67 -19.589 -34.172 13.963 0.00 0.00 WAT1 ATOM 1575 OH2 TIP3 68 -16.686 -34.751 29.042 0.00 0.00 WAT1 ATOM 1576 H1 TIP3 68 -15.941 -34.163 28.922 0.00 0.00 WAT1 ATOM 1577 H2 TIP3 68 -17.443 -34.169 29.105 0.00 0.00 WAT1 ATOM 1578 OH2 TIP3 69 -16.231 -36.660 30.941 0.00 0.00 WAT1 ATOM 1579 H1 TIP3 69 -16.512 -35.951 30.363 0.00 0.00 WAT1 ATOM 1580 H2 TIP3 69 -15.288 -36.733 30.790 0.00 0.00 WAT1 ATOM 1581 OH2 TIP3 70 -22.617 -27.387 15.928 0.00 0.00 WAT1 ATOM 1582 H1 TIP3 70 -21.684 -27.229 16.072 0.00 0.00 WAT1 ATOM 1583 H2 TIP3 70 -22.881 -26.712 15.303 0.00 0.00 WAT1 ATOM 1584 OH2 TIP3 71 -13.967 -33.111 32.833 0.00 0.00 WAT1 ATOM 1585 H1 TIP3 71 -14.833 -33.216 33.227 0.00 0.00 WAT1 ATOM 1586 H2 TIP3 71 -13.591 -32.352 33.280 0.00 0.00 WAT1 ATOM 1587 OH2 TIP3 72 -12.666 -34.854 18.347 0.00 0.00 WAT1 ATOM 1588 H1 TIP3 72 -11.816 -34.433 18.475 0.00 0.00 WAT1 ATOM 1589 H2 TIP3 72 -12.661 -35.594 18.955 0.00 0.00 WAT1 ATOM 1590 OH2 TIP3 73 -12.272 -36.801 20.171 0.00 0.00 WAT1 ATOM 1591 H1 TIP3 73 -12.998 -37.280 20.569 0.00 0.00 WAT1 ATOM 1592 H2 TIP3 73 -11.691 -36.595 20.903 0.00 0.00 WAT1 ATOM 1593 OH2 TIP3 74 -12.513 -34.016 25.119 0.00 0.00 WAT1 ATOM 1594 H1 TIP3 74 -11.679 -34.394 24.838 0.00 0.00 WAT1 ATOM 1595 H2 TIP3 74 -12.401 -33.073 25.000 0.00 0.00 WAT1 ATOM 1596 OH2 TIP3 75 -12.004 -36.900 16.562 0.00 0.00 WAT1 ATOM 1597 H1 TIP3 75 -12.525 -36.543 15.843 0.00 0.00 WAT1 ATOM 1598 H2 TIP3 75 -12.037 -36.225 17.240 0.00 0.00 WAT1 ATOM 1599 OH2 TIP3 76 -13.655 -39.660 15.113 0.00 0.00 WAT1 ATOM 1600 H1 TIP3 76 -13.558 -38.993 14.433 0.00 0.00 WAT1 ATOM 1601 H2 TIP3 76 -13.795 -40.476 14.631 0.00 0.00 WAT1 ATOM 1602 OH2 TIP3 77 -13.629 -36.310 30.373 0.00 0.00 WAT1 ATOM 1603 H1 TIP3 77 -13.046 -37.044 30.564 0.00 0.00 WAT1 ATOM 1604 H2 TIP3 77 -13.065 -35.538 30.419 0.00 0.00 WAT1 ATOM 1605 OH2 TIP3 78 -14.407 -42.252 14.230 0.00 0.00 WAT1 ATOM 1606 H1 TIP3 78 -13.797 -42.624 14.867 0.00 0.00 WAT1 ATOM 1607 H2 TIP3 78 -15.244 -42.674 14.426 0.00 0.00 WAT1 ATOM 1608 OH2 TIP3 79 -20.593 -29.075 30.606 0.00 0.00 WAT1 ATOM 1609 H1 TIP3 79 -20.408 -29.409 31.484 0.00 0.00 WAT1 ATOM 1610 H2 TIP3 79 -19.746 -28.766 30.284 0.00 0.00 WAT1 ATOM 1611 OH2 TIP3 80 -20.324 -27.730 25.900 0.00 0.00 WAT1 ATOM 1612 H1 TIP3 80 -20.781 -27.201 25.246 0.00 0.00 WAT1 ATOM 1613 H2 TIP3 80 -20.161 -27.127 26.625 0.00 0.00 WAT1 ATOM 1614 OH2 TIP3 81 -19.972 -28.161 16.173 0.00 0.00 WAT1 ATOM 1615 H1 TIP3 81 -19.106 -27.795 15.995 0.00 0.00 WAT1 ATOM 1616 H2 TIP3 81 -20.219 -28.601 15.360 0.00 0.00 WAT1 ATOM 1617 OH2 TIP3 82 -18.745 -28.662 41.822 0.00 0.00 WAT1 ATOM 1618 H1 TIP3 82 -18.125 -29.339 41.549 0.00 0.00 WAT1 ATOM 1619 H2 TIP3 82 -18.953 -28.880 42.730 0.00 0.00 WAT1 ATOM 1620 OH2 TIP3 83 -17.092 -30.146 40.583 0.00 0.00 WAT1 ATOM 1621 H1 TIP3 83 -16.667 -30.853 40.098 0.00 0.00 WAT1 ATOM 1622 H2 TIP3 83 -16.775 -29.345 40.166 0.00 0.00 WAT1 ATOM 1623 OH2 TIP3 84 -15.933 -32.245 39.092 0.00 0.00 WAT1 ATOM 1624 H1 TIP3 84 -16.190 -32.935 38.480 0.00 0.00 WAT1 ATOM 1625 H2 TIP3 84 -15.862 -32.688 39.937 0.00 0.00 WAT1 ATOM 1626 OH2 TIP3 85 -12.609 -31.229 34.168 0.00 0.00 WAT1 ATOM 1627 H1 TIP3 85 -12.536 -30.290 34.338 0.00 0.00 WAT1 ATOM 1628 H2 TIP3 85 -11.704 -31.534 34.111 0.00 0.00 WAT1 ATOM 1629 OH2 TIP3 86 -20.299 -27.652 37.828 0.00 0.00 WAT1 ATOM 1630 H1 TIP3 86 -20.374 -27.773 36.882 0.00 0.00 WAT1 ATOM 1631 H2 TIP3 86 -20.266 -26.702 37.947 0.00 0.00 WAT1 ATOM 1632 OH2 TIP3 87 -17.197 -28.498 34.831 0.00 0.00 WAT1 ATOM 1633 H1 TIP3 87 -16.822 -29.242 34.360 0.00 0.00 WAT1 ATOM 1634 H2 TIP3 87 -17.193 -28.768 35.749 0.00 0.00 WAT1 ATOM 1635 OH2 TIP3 88 -17.528 -28.572 37.580 0.00 0.00 WAT1 ATOM 1636 H1 TIP3 88 -18.463 -28.472 37.759 0.00 0.00 WAT1 ATOM 1637 H2 TIP3 88 -17.248 -29.281 38.158 0.00 0.00 WAT1 ATOM 1638 OH2 TIP3 89 -16.423 -32.995 34.538 0.00 0.00 WAT1 ATOM 1639 H1 TIP3 89 -16.070 -33.375 35.342 0.00 0.00 WAT1 ATOM 1640 H2 TIP3 89 -17.372 -33.088 34.624 0.00 0.00 WAT1 ATOM 1641 OH2 TIP3 90 -15.557 -34.322 36.764 0.00 0.00 WAT1 ATOM 1642 H1 TIP3 90 -15.834 -35.050 37.320 0.00 0.00 WAT1 ATOM 1643 H2 TIP3 90 -14.630 -34.203 36.970 0.00 0.00 WAT1 ATOM 1644 OH2 TIP3 91 -14.697 -29.118 43.900 0.00 0.00 WAT1 ATOM 1645 H1 TIP3 91 -14.853 -28.440 43.243 0.00 0.00 WAT1 ATOM 1646 H2 TIP3 91 -13.765 -29.046 44.103 0.00 0.00 WAT1 ATOM 1647 OH2 TIP3 92 -20.294 -30.020 33.123 0.00 0.00 WAT1 ATOM 1648 H1 TIP3 92 -20.938 -30.651 33.445 0.00 0.00 WAT1 ATOM 1649 H2 TIP3 92 -19.532 -30.551 32.891 0.00 0.00 WAT1 ATOM 1650 OH2 TIP3 93 -15.690 -30.203 33.357 0.00 0.00 WAT1 ATOM 1651 H1 TIP3 93 -15.407 -30.997 33.810 0.00 0.00 WAT1 ATOM 1652 H2 TIP3 93 -14.950 -29.970 32.796 0.00 0.00 WAT1 ATOM 1653 OH2 TIP3 94 -19.383 -33.246 32.950 0.00 0.00 WAT1 ATOM 1654 H1 TIP3 94 -19.651 -33.066 33.851 0.00 0.00 WAT1 ATOM 1655 H2 TIP3 94 -19.589 -34.172 32.819 0.00 0.00 WAT1 ATOM 1656 OH2 TIP3 95 -13.125 -35.723 33.228 0.00 0.00 WAT1 ATOM 1657 H1 TIP3 95 -13.398 -36.148 32.415 0.00 0.00 WAT1 ATOM 1658 H2 TIP3 95 -13.085 -34.792 33.011 0.00 0.00 WAT1 ATOM 1659 OH2 TIP3 96 -11.981 -28.468 44.129 0.00 0.00 WAT1 ATOM 1660 H1 TIP3 96 -12.003 -28.283 45.068 0.00 0.00 WAT1 ATOM 1661 H2 TIP3 96 -11.291 -27.899 43.788 0.00 0.00 WAT1 ATOM 1662 OH2 TIP3 97 -12.666 -34.854 37.203 0.00 0.00 WAT1 ATOM 1663 H1 TIP3 97 -11.816 -34.433 37.331 0.00 0.00 WAT1 ATOM 1664 H2 TIP3 97 -12.661 -35.594 37.811 0.00 0.00 WAT1 ATOM 1665 OH2 TIP3 98 -19.972 -28.161 35.029 0.00 0.00 WAT1 ATOM 1666 H1 TIP3 98 -19.106 -27.795 34.851 0.00 0.00 WAT1 ATOM 1667 H2 TIP3 98 -20.219 -28.601 34.216 0.00 0.00 WAT1 ATOM 1668 OH2 TIP3 99 -18.745 -9.806 -14.746 0.00 0.00 WAT1 ATOM 1669 H1 TIP3 99 -18.125 -10.483 -15.019 0.00 0.00 WAT1 ATOM 1670 H2 TIP3 99 -18.953 -10.024 -13.838 0.00 0.00 WAT1 ATOM 1671 OH2 TIP3 100 -15.344 -13.071 -12.610 0.00 0.00 WAT1 ATOM 1672 H1 TIP3 100 -16.286 -13.013 -12.449 0.00 0.00 WAT1 ATOM 1673 H2 TIP3 100 -15.068 -12.165 -12.747 0.00 0.00 WAT1 ATOM 1674 OH2 TIP3 101 -14.247 -14.823 -8.999 0.00 0.00 WAT1 ATOM 1675 H1 TIP3 101 -14.107 -15.414 -9.738 0.00 0.00 WAT1 ATOM 1676 H2 TIP3 101 -14.079 -13.950 -9.355 0.00 0.00 WAT1 ATOM 1677 OH2 TIP3 102 -18.047 -12.749 -12.025 0.00 0.00 WAT1 ATOM 1678 H1 TIP3 102 -18.288 -12.087 -11.377 0.00 0.00 WAT1 ATOM 1679 H2 TIP3 102 -18.245 -13.583 -11.600 0.00 0.00 WAT1 ATOM 1680 OH2 TIP3 103 -20.713 -12.568 -8.546 0.00 0.00 WAT1 ATOM 1681 H1 TIP3 103 -20.626 -11.742 -8.071 0.00 0.00 WAT1 ATOM 1682 H2 TIP3 103 -21.577 -12.898 -8.297 0.00 0.00 WAT1 ATOM 1683 OH2 TIP3 104 -14.462 -16.659 -11.084 0.00 0.00 WAT1 ATOM 1684 H1 TIP3 104 -13.820 -16.202 -11.627 0.00 0.00 WAT1 ATOM 1685 H2 TIP3 104 -15.292 -16.546 -11.546 0.00 0.00 WAT1 ATOM 1686 OH2 TIP3 105 -17.842 -13.146 -8.683 0.00 0.00 WAT1 ATOM 1687 H1 TIP3 105 -18.743 -12.963 -8.951 0.00 0.00 WAT1 ATOM 1688 H2 TIP3 105 -17.808 -12.887 -7.762 0.00 0.00 WAT1 ATOM 1689 OH2 TIP3 106 -22.170 -11.167 -10.805 0.00 0.00 WAT1 ATOM 1690 H1 TIP3 106 -21.807 -10.312 -11.038 0.00 0.00 WAT1 ATOM 1691 H2 TIP3 106 -21.638 -11.459 -10.064 0.00 0.00 WAT1 ATOM 1692 OH2 TIP3 107 -14.697 -10.262 -12.668 0.00 0.00 WAT1 ATOM 1693 H1 TIP3 107 -14.853 -9.584 -13.325 0.00 0.00 WAT1 ATOM 1694 H2 TIP3 107 -13.765 -10.190 -12.465 0.00 0.00 WAT1 ATOM 1695 OH2 TIP3 108 -16.686 -15.895 -8.670 0.00 0.00 WAT1 ATOM 1696 H1 TIP3 108 -15.941 -15.307 -8.790 0.00 0.00 WAT1 ATOM 1697 H2 TIP3 108 -17.443 -15.313 -8.607 0.00 0.00 WAT1 ATOM 1698 OH2 TIP3 109 -19.277 -17.101 -5.414 0.00 0.00 WAT1 ATOM 1699 H1 TIP3 109 -18.324 -17.017 -5.442 0.00 0.00 WAT1 ATOM 1700 H2 TIP3 109 -19.437 -17.812 -4.795 0.00 0.00 WAT1 ATOM 1701 OH2 TIP3 110 -16.231 -17.804 -6.771 0.00 0.00 WAT1 ATOM 1702 H1 TIP3 110 -16.512 -17.095 -7.349 0.00 0.00 WAT1 ATOM 1703 H2 TIP3 110 -15.288 -17.877 -6.922 0.00 0.00 WAT1 ATOM 1704 OH2 TIP3 111 -11.981 -9.612 -12.439 0.00 0.00 WAT1 ATOM 1705 H1 TIP3 111 -12.003 -9.427 -11.500 0.00 0.00 WAT1 ATOM 1706 H2 TIP3 111 -11.291 -9.043 -12.780 0.00 0.00 WAT1 ATOM 1707 OH2 TIP3 112 -12.513 -15.160 -12.593 0.00 0.00 WAT1 ATOM 1708 H1 TIP3 112 -11.679 -15.538 -12.874 0.00 0.00 WAT1 ATOM 1709 H2 TIP3 112 -12.401 -14.217 -12.712 0.00 0.00 WAT1 ATOM 1710 OH2 TIP3 113 -14.026 -12.282 -10.286 0.00 0.00 WAT1 ATOM 1711 H1 TIP3 113 -14.674 -11.957 -9.661 0.00 0.00 WAT1 ATOM 1712 H2 TIP3 113 -14.544 -12.722 -10.961 0.00 0.00 WAT1 ATOM 1713 OH2 TIP3 114 -13.629 -17.454 -7.339 0.00 0.00 WAT1 ATOM 1714 H1 TIP3 114 -13.046 -18.188 -7.148 0.00 0.00 WAT1 ATOM 1715 H2 TIP3 114 -13.065 -16.682 -7.293 0.00 0.00 WAT1 ATOM 1716 OH2 TIP3 115 -12.132 -19.551 -6.655 0.00 0.00 WAT1 ATOM 1717 H1 TIP3 115 -12.995 -19.930 -6.820 0.00 0.00 WAT1 ATOM 1718 H2 TIP3 115 -11.528 -20.290 -6.729 0.00 0.00 WAT1 ATOM 1719 OH2 TIP3 116 -20.593 -10.219 -7.106 0.00 0.00 WAT1 ATOM 1720 H1 TIP3 116 -20.408 -10.553 -6.228 0.00 0.00 WAT1 ATOM 1721 H2 TIP3 116 -19.746 -9.910 -7.428 0.00 0.00 WAT1 ATOM 1722 OH2 TIP3 117 -25.035 -8.762 -10.988 0.00 0.00 WAT1 ATOM 1723 H1 TIP3 117 -25.900 -8.690 -10.584 0.00 0.00 WAT1 ATOM 1724 H2 TIP3 117 -25.090 -8.215 -11.772 0.00 0.00 WAT1 ATOM 1725 OH2 TIP3 118 -20.324 -8.874 -11.812 0.00 0.00 WAT1 ATOM 1726 H1 TIP3 118 -20.781 -8.345 -12.466 0.00 0.00 WAT1 ATOM 1727 H2 TIP3 118 -20.161 -8.271 -11.087 0.00 0.00 WAT1 ATOM 1728 OH2 TIP3 119 -17.997 -9.996 -10.867 0.00 0.00 WAT1 ATOM 1729 H1 TIP3 119 -18.901 -9.831 -11.133 0.00 0.00 WAT1 ATOM 1730 H2 TIP3 119 -17.568 -9.143 -10.933 0.00 0.00 WAT1 ATOM 1731 OH2 TIP3 120 -19.562 -17.850 5.596 0.00 0.00 WAT1 ATOM 1732 H1 TIP3 120 -19.600 -18.496 6.301 0.00 0.00 WAT1 ATOM 1733 H2 TIP3 120 -19.885 -18.316 4.825 0.00 0.00 WAT1 ATOM 1734 OH2 TIP3 121 -15.856 -14.911 3.898 0.00 0.00 WAT1 ATOM 1735 H1 TIP3 121 -16.297 -15.631 4.348 0.00 0.00 WAT1 ATOM 1736 H2 TIP3 121 -15.869 -14.190 4.528 0.00 0.00 WAT1 ATOM 1737 OH2 TIP3 122 -17.155 -22.791 2.003 0.00 0.00 WAT1 ATOM 1738 H1 TIP3 122 -16.509 -23.120 2.628 0.00 0.00 WAT1 ATOM 1739 H2 TIP3 122 -16.645 -22.273 1.380 0.00 0.00 WAT1 ATOM 1740 OH2 TIP3 123 -26.067 -24.004 7.676 0.00 0.00 WAT1 ATOM 1741 H1 TIP3 123 -26.286 -23.474 6.910 0.00 0.00 WAT1 ATOM 1742 H2 TIP3 123 -26.735 -23.777 8.324 0.00 0.00 WAT1 ATOM 1743 OH2 TIP3 124 -18.698 -14.504 1.220 0.00 0.00 WAT1 ATOM 1744 H1 TIP3 124 -18.994 -14.826 0.369 0.00 0.00 WAT1 ATOM 1745 H2 TIP3 124 -19.022 -13.604 1.262 0.00 0.00 WAT1 ATOM 1746 OH2 TIP3 125 -15.344 -13.071 6.246 0.00 0.00 WAT1 ATOM 1747 H1 TIP3 125 -16.286 -13.013 6.407 0.00 0.00 WAT1 ATOM 1748 H2 TIP3 125 -15.068 -12.165 6.109 0.00 0.00 WAT1 ATOM 1749 OH2 TIP3 126 -22.041 -26.698 5.129 0.00 0.00 WAT1 ATOM 1750 H1 TIP3 126 -22.158 -27.647 5.075 0.00 0.00 WAT1 ATOM 1751 H2 TIP3 126 -22.896 -26.366 5.402 0.00 0.00 WAT1 ATOM 1752 OH2 TIP3 127 -17.092 -11.290 2.871 0.00 0.00 WAT1 ATOM 1753 H1 TIP3 127 -16.667 -11.997 2.386 0.00 0.00 WAT1 ATOM 1754 H2 TIP3 127 -16.775 -10.489 2.454 0.00 0.00 WAT1 ATOM 1755 OH2 TIP3 128 -15.933 -13.389 1.380 0.00 0.00 WAT1 ATOM 1756 H1 TIP3 128 -16.190 -14.079 0.768 0.00 0.00 WAT1 ATOM 1757 H2 TIP3 128 -15.862 -13.832 2.225 0.00 0.00 WAT1 ATOM 1758 OH2 TIP3 129 -16.368 -17.651 0.581 0.00 0.00 WAT1 ATOM 1759 H1 TIP3 129 -17.100 -17.423 1.154 0.00 0.00 WAT1 ATOM 1760 H2 TIP3 129 -15.921 -18.365 1.036 0.00 0.00 WAT1 ATOM 1761 OH2 TIP3 130 -18.047 -12.749 6.831 0.00 0.00 WAT1 ATOM 1762 H1 TIP3 130 -18.288 -12.087 7.479 0.00 0.00 WAT1 ATOM 1763 H2 TIP3 130 -18.245 -13.583 7.256 0.00 0.00 WAT1 ATOM 1764 OH2 TIP3 131 -17.497 -18.489 -1.734 0.00 0.00 WAT1 ATOM 1765 H1 TIP3 131 -16.918 -18.339 -0.987 0.00 0.00 WAT1 ATOM 1766 H2 TIP3 131 -17.083 -18.018 -2.457 0.00 0.00 WAT1 ATOM 1767 OH2 TIP3 132 -13.799 -26.739 -1.921 0.00 0.00 WAT1 ATOM 1768 H1 TIP3 132 -14.698 -26.600 -1.626 0.00 0.00 WAT1 ATOM 1769 H2 TIP3 132 -13.547 -25.908 -2.323 0.00 0.00 WAT1 ATOM 1770 OH2 TIP3 133 -20.299 -8.796 0.116 0.00 0.00 WAT1 ATOM 1771 H1 TIP3 133 -20.374 -8.917 -0.830 0.00 0.00 WAT1 ATOM 1772 H2 TIP3 133 -20.266 -7.846 0.235 0.00 0.00 WAT1 ATOM 1773 OH2 TIP3 134 -17.528 -9.716 -0.132 0.00 0.00 WAT1 ATOM 1774 H1 TIP3 134 -18.463 -9.616 0.047 0.00 0.00 WAT1 ATOM 1775 H2 TIP3 134 -17.248 -10.425 0.446 0.00 0.00 WAT1 ATOM 1776 OH2 TIP3 135 -16.020 -17.456 -4.104 0.00 0.00 WAT1 ATOM 1777 H1 TIP3 135 -15.978 -17.679 -5.034 0.00 0.00 WAT1 ATOM 1778 H2 TIP3 135 -15.171 -17.058 -3.914 0.00 0.00 WAT1 ATOM 1779 OH2 TIP3 136 -24.681 -20.829 7.002 0.00 0.00 WAT1 ATOM 1780 H1 TIP3 136 -25.323 -20.870 7.711 0.00 0.00 WAT1 ATOM 1781 H2 TIP3 136 -24.644 -19.903 6.764 0.00 0.00 WAT1 ATOM 1782 OH2 TIP3 137 -18.144 -20.746 3.545 0.00 0.00 WAT1 ATOM 1783 H1 TIP3 137 -18.339 -20.141 2.830 0.00 0.00 WAT1 ATOM 1784 H2 TIP3 137 -17.962 -21.580 3.110 0.00 0.00 WAT1 ATOM 1785 OH2 TIP3 138 -22.102 -23.181 3.000 0.00 0.00 WAT1 ATOM 1786 H1 TIP3 138 -23.013 -23.124 3.289 0.00 0.00 WAT1 ATOM 1787 H2 TIP3 138 -21.597 -23.241 3.811 0.00 0.00 WAT1 ATOM 1788 OH2 TIP3 139 -14.410 -8.274 12.541 0.00 0.00 WAT1 ATOM 1789 H1 TIP3 139 -14.210 -7.850 11.706 0.00 0.00 WAT1 ATOM 1790 H2 TIP3 139 -13.754 -7.931 13.148 0.00 0.00 WAT1 ATOM 1791 OH2 TIP3 140 -20.782 -20.393 4.887 0.00 0.00 WAT1 ATOM 1792 H1 TIP3 140 -20.218 -20.940 4.340 0.00 0.00 WAT1 ATOM 1793 H2 TIP3 140 -20.930 -20.915 5.676 0.00 0.00 WAT1 ATOM 1794 OH2 TIP3 141 -22.156 -22.005 7.301 0.00 0.00 WAT1 ATOM 1795 H1 TIP3 141 -22.991 -21.551 7.411 0.00 0.00 WAT1 ATOM 1796 H2 TIP3 141 -21.632 -21.729 8.053 0.00 0.00 WAT1 ATOM 1797 OH2 TIP3 142 -20.092 -15.608 10.223 0.00 0.00 WAT1 ATOM 1798 H1 TIP3 142 -20.438 -15.989 11.029 0.00 0.00 WAT1 ATOM 1799 H2 TIP3 142 -20.292 -14.674 10.294 0.00 0.00 WAT1 ATOM 1800 OH2 TIP3 143 -16.996 -21.111 -1.154 0.00 0.00 WAT1 ATOM 1801 H1 TIP3 143 -16.104 -21.248 -0.835 0.00 0.00 WAT1 ATOM 1802 H2 TIP3 143 -16.939 -20.320 -1.691 0.00 0.00 WAT1 ATOM 1803 OH2 TIP3 144 -19.486 -14.333 -1.989 0.00 0.00 WAT1 ATOM 1804 H1 TIP3 144 -19.781 -13.507 -1.607 0.00 0.00 WAT1 ATOM 1805 H2 TIP3 144 -20.189 -14.953 -1.793 0.00 0.00 WAT1 ATOM 1806 OH2 TIP3 145 -22.462 -18.519 12.283 0.00 0.00 WAT1 ATOM 1807 H1 TIP3 145 -22.758 -18.685 11.388 0.00 0.00 WAT1 ATOM 1808 H2 TIP3 145 -21.531 -18.739 12.273 0.00 0.00 WAT1 ATOM 1809 OH2 TIP3 146 -17.842 -13.146 10.173 0.00 0.00 WAT1 ATOM 1810 H1 TIP3 146 -18.743 -12.963 9.905 0.00 0.00 WAT1 ATOM 1811 H2 TIP3 146 -17.808 -12.887 11.094 0.00 0.00 WAT1 ATOM 1812 OH2 TIP3 147 -12.111 -20.901 -1.460 0.00 0.00 WAT1 ATOM 1813 H1 TIP3 147 -12.665 -21.297 -2.132 0.00 0.00 WAT1 ATOM 1814 H2 TIP3 147 -12.010 -19.991 -1.737 0.00 0.00 WAT1 ATOM 1815 OH2 TIP3 148 -16.655 -17.307 6.027 0.00 0.00 WAT1 ATOM 1816 H1 TIP3 148 -17.583 -17.539 6.000 0.00 0.00 WAT1 ATOM 1817 H2 TIP3 148 -16.204 -18.084 5.697 0.00 0.00 WAT1 ATOM 1818 OH2 TIP3 149 -18.626 -15.068 7.752 0.00 0.00 WAT1 ATOM 1819 H1 TIP3 149 -19.052 -15.295 8.578 0.00 0.00 WAT1 ATOM 1820 H2 TIP3 149 -18.045 -15.806 7.569 0.00 0.00 WAT1 ATOM 1821 OH2 TIP3 150 -15.967 -10.516 10.221 0.00 0.00 WAT1 ATOM 1822 H1 TIP3 150 -16.569 -11.071 9.726 0.00 0.00 WAT1 ATOM 1823 H2 TIP3 150 -15.686 -9.849 9.595 0.00 0.00 WAT1 ATOM 1824 OH2 TIP3 151 -15.557 -15.466 -0.948 0.00 0.00 WAT1 ATOM 1825 H1 TIP3 151 -15.834 -16.194 -0.392 0.00 0.00 WAT1 ATOM 1826 H2 TIP3 151 -14.630 -15.347 -0.742 0.00 0.00 WAT1 ATOM 1827 OH2 TIP3 152 -18.326 -23.890 -0.385 0.00 0.00 WAT1 ATOM 1828 H1 TIP3 152 -18.106 -23.418 -1.188 0.00 0.00 WAT1 ATOM 1829 H2 TIP3 152 -17.768 -23.495 0.286 0.00 0.00 WAT1 ATOM 1830 OH2 TIP3 153 -20.657 -11.759 -1.522 0.00 0.00 WAT1 ATOM 1831 H1 TIP3 153 -21.474 -11.262 -1.469 0.00 0.00 WAT1 ATOM 1832 H2 TIP3 153 -20.128 -11.284 -2.162 0.00 0.00 WAT1 ATOM 1833 OH2 TIP3 154 -20.242 -25.081 1.388 0.00 0.00 WAT1 ATOM 1834 H1 TIP3 154 -20.589 -24.463 2.033 0.00 0.00 WAT1 ATOM 1835 H2 TIP3 154 -19.584 -24.580 0.907 0.00 0.00 WAT1 ATOM 1836 OH2 TIP3 155 -15.784 -19.518 4.566 0.00 0.00 WAT1 ATOM 1837 H1 TIP3 155 -16.581 -19.933 4.237 0.00 0.00 WAT1 ATOM 1838 H2 TIP3 155 -15.339 -20.209 5.057 0.00 0.00 WAT1 ATOM 1839 OH2 TIP3 156 -14.697 -10.262 6.188 0.00 0.00 WAT1 ATOM 1840 H1 TIP3 156 -14.853 -9.584 5.531 0.00 0.00 WAT1 ATOM 1841 H2 TIP3 156 -13.765 -10.190 6.391 0.00 0.00 WAT1 ATOM 1842 OH2 TIP3 157 -20.294 -11.164 -4.589 0.00 0.00 WAT1 ATOM 1843 H1 TIP3 157 -20.938 -11.795 -4.267 0.00 0.00 WAT1 ATOM 1844 H2 TIP3 157 -19.532 -11.695 -4.821 0.00 0.00 WAT1 ATOM 1845 OH2 TIP3 158 -19.383 -14.390 -4.762 0.00 0.00 WAT1 ATOM 1846 H1 TIP3 158 -19.651 -14.210 -3.861 0.00 0.00 WAT1 ATOM 1847 H2 TIP3 158 -19.589 -15.316 -4.893 0.00 0.00 WAT1 ATOM 1848 OH2 TIP3 159 -16.686 -15.895 10.186 0.00 0.00 WAT1 ATOM 1849 H1 TIP3 159 -15.941 -15.307 10.066 0.00 0.00 WAT1 ATOM 1850 H2 TIP3 159 -17.443 -15.313 10.249 0.00 0.00 WAT1 ATOM 1851 OH2 TIP3 160 -24.297 -19.572 10.164 0.00 0.00 WAT1 ATOM 1852 H1 TIP3 160 -24.915 -18.897 10.445 0.00 0.00 WAT1 ATOM 1853 H2 TIP3 160 -23.953 -19.251 9.331 0.00 0.00 WAT1 ATOM 1854 OH2 TIP3 161 -19.277 -17.101 13.442 0.00 0.00 WAT1 ATOM 1855 H1 TIP3 161 -18.324 -17.017 13.414 0.00 0.00 WAT1 ATOM 1856 H2 TIP3 161 -19.437 -17.812 14.061 0.00 0.00 WAT1 ATOM 1857 OH2 TIP3 162 -13.125 -16.867 -4.484 0.00 0.00 WAT1 ATOM 1858 H1 TIP3 162 -13.398 -17.292 -5.297 0.00 0.00 WAT1 ATOM 1859 H2 TIP3 162 -13.085 -15.936 -4.701 0.00 0.00 WAT1 ATOM 1860 OH2 TIP3 163 -23.957 -22.217 11.247 0.00 0.00 WAT1 ATOM 1861 H1 TIP3 163 -23.807 -22.946 10.644 0.00 0.00 WAT1 ATOM 1862 H2 TIP3 163 -23.955 -21.440 10.688 0.00 0.00 WAT1 ATOM 1863 OH2 TIP3 164 -23.545 -23.847 8.739 0.00 0.00 WAT1 ATOM 1864 H1 TIP3 164 -23.009 -23.396 8.087 0.00 0.00 WAT1 ATOM 1865 H2 TIP3 164 -24.397 -23.955 8.317 0.00 0.00 WAT1 ATOM 1866 OH2 TIP3 165 -21.963 -18.408 8.979 0.00 0.00 WAT1 ATOM 1867 H1 TIP3 165 -21.212 -18.564 8.406 0.00 0.00 WAT1 ATOM 1868 H2 TIP3 165 -22.302 -17.556 8.703 0.00 0.00 WAT1 ATOM 1869 OH2 TIP3 166 -16.231 -17.804 12.085 0.00 0.00 WAT1 ATOM 1870 H1 TIP3 166 -16.512 -17.095 11.507 0.00 0.00 WAT1 ATOM 1871 H2 TIP3 166 -15.288 -17.877 11.934 0.00 0.00 WAT1 ATOM 1872 OH2 TIP3 167 -25.479 -21.019 13.158 0.00 0.00 WAT1 ATOM 1873 H1 TIP3 167 -26.246 -21.551 12.948 0.00 0.00 WAT1 ATOM 1874 H2 TIP3 167 -24.800 -21.329 12.559 0.00 0.00 WAT1 ATOM 1875 OH2 TIP3 168 -22.739 -26.391 9.171 0.00 0.00 WAT1 ATOM 1876 H1 TIP3 168 -22.837 -25.444 9.065 0.00 0.00 WAT1 ATOM 1877 H2 TIP3 168 -23.482 -26.763 8.695 0.00 0.00 WAT1 ATOM 1878 OH2 TIP3 169 -22.517 -27.097 11.842 0.00 0.00 WAT1 ATOM 1879 H1 TIP3 169 -21.805 -27.737 11.828 0.00 0.00 WAT1 ATOM 1880 H2 TIP3 169 -22.618 -26.830 10.928 0.00 0.00 WAT1 ATOM 1881 OH2 TIP3 170 -22.164 -25.414 13.896 0.00 0.00 WAT1 ATOM 1882 H1 TIP3 170 -22.295 -25.890 13.075 0.00 0.00 WAT1 ATOM 1883 H2 TIP3 170 -22.763 -24.670 13.840 0.00 0.00 WAT1 ATOM 1884 OH2 TIP3 171 -22.617 -8.531 -2.928 0.00 0.00 WAT1 ATOM 1885 H1 TIP3 171 -21.684 -8.373 -2.784 0.00 0.00 WAT1 ATOM 1886 H2 TIP3 171 -22.881 -7.856 -3.553 0.00 0.00 WAT1 ATOM 1887 OH2 TIP3 172 -11.981 -9.612 6.417 0.00 0.00 WAT1 ATOM 1888 H1 TIP3 172 -12.003 -9.427 7.356 0.00 0.00 WAT1 ATOM 1889 H2 TIP3 172 -11.291 -9.043 6.076 0.00 0.00 WAT1 ATOM 1890 OH2 TIP3 173 -13.967 -14.255 13.977 0.00 0.00 WAT1 ATOM 1891 H1 TIP3 173 -14.833 -14.360 14.371 0.00 0.00 WAT1 ATOM 1892 H2 TIP3 173 -13.591 -13.496 14.424 0.00 0.00 WAT1 ATOM 1893 OH2 TIP3 174 -12.666 -15.998 -0.509 0.00 0.00 WAT1 ATOM 1894 H1 TIP3 174 -11.816 -15.577 -0.381 0.00 0.00 WAT1 ATOM 1895 H2 TIP3 174 -12.661 -16.738 0.099 0.00 0.00 WAT1 ATOM 1896 OH2 TIP3 175 -12.272 -17.945 1.315 0.00 0.00 WAT1 ATOM 1897 H1 TIP3 175 -12.998 -18.424 1.713 0.00 0.00 WAT1 ATOM 1898 H2 TIP3 175 -11.691 -17.739 2.047 0.00 0.00 WAT1 ATOM 1899 OH2 TIP3 176 -14.026 -12.282 8.570 0.00 0.00 WAT1 ATOM 1900 H1 TIP3 176 -14.674 -11.957 9.195 0.00 0.00 WAT1 ATOM 1901 H2 TIP3 176 -14.544 -12.722 7.895 0.00 0.00 WAT1 ATOM 1902 OH2 TIP3 177 -12.004 -18.044 -2.294 0.00 0.00 WAT1 ATOM 1903 H1 TIP3 177 -12.525 -17.687 -3.013 0.00 0.00 WAT1 ATOM 1904 H2 TIP3 177 -12.037 -17.369 -1.616 0.00 0.00 WAT1 ATOM 1905 OH2 TIP3 178 -14.485 -19.424 1.878 0.00 0.00 WAT1 ATOM 1906 H1 TIP3 178 -14.635 -20.369 1.858 0.00 0.00 WAT1 ATOM 1907 H2 TIP3 178 -14.839 -19.143 2.722 0.00 0.00 WAT1 ATOM 1908 OH2 TIP3 179 -14.775 -21.841 0.340 0.00 0.00 WAT1 ATOM 1909 H1 TIP3 179 -14.495 -22.748 0.465 0.00 0.00 WAT1 ATOM 1910 H2 TIP3 179 -14.016 -21.407 -0.049 0.00 0.00 WAT1 ATOM 1911 OH2 TIP3 180 -14.163 -21.260 5.776 0.00 0.00 WAT1 ATOM 1912 H1 TIP3 180 -13.230 -21.048 5.742 0.00 0.00 WAT1 ATOM 1913 H2 TIP3 180 -14.398 -21.158 6.699 0.00 0.00 WAT1 ATOM 1914 OH2 TIP3 181 -12.295 -24.511 -3.083 0.00 0.00 WAT1 ATOM 1915 H1 TIP3 181 -11.882 -25.232 -3.559 0.00 0.00 WAT1 ATOM 1916 H2 TIP3 181 -11.613 -23.841 -3.025 0.00 0.00 WAT1 ATOM 1917 OH2 TIP3 182 -15.243 -9.522 1.989 0.00 0.00 WAT1 ATOM 1918 H1 TIP3 182 -14.590 -9.869 1.381 0.00 0.00 WAT1 ATOM 1919 H2 TIP3 182 -14.732 -9.033 2.635 0.00 0.00 WAT1 ATOM 1920 OH2 TIP3 183 -15.392 -8.426 8.284 0.00 0.00 WAT1 ATOM 1921 H1 TIP3 183 -15.574 -7.510 8.073 0.00 0.00 WAT1 ATOM 1922 H2 TIP3 183 -15.216 -8.836 7.437 0.00 0.00 WAT1 ATOM 1923 OH2 TIP3 184 -19.900 -24.895 4.397 0.00 0.00 WAT1 ATOM 1924 H1 TIP3 184 -20.575 -25.524 4.652 0.00 0.00 WAT1 ATOM 1925 H2 TIP3 184 -19.336 -25.379 3.794 0.00 0.00 WAT1 ATOM 1926 OH2 TIP3 185 -16.084 -26.278 -0.626 0.00 0.00 WAT1 ATOM 1927 H1 TIP3 185 -16.787 -25.664 -0.836 0.00 0.00 WAT1 ATOM 1928 H2 TIP3 185 -16.529 -27.116 -0.495 0.00 0.00 WAT1 ATOM 1929 OH2 TIP3 186 -19.972 -9.305 -2.683 0.00 0.00 WAT1 ATOM 1930 H1 TIP3 186 -19.106 -8.939 -2.861 0.00 0.00 WAT1 ATOM 1931 H2 TIP3 186 -20.219 -9.745 -3.496 0.00 0.00 WAT1 ATOM 1932 OH2 TIP3 187 -13.263 -9.742 -0.003 0.00 0.00 WAT1 ATOM 1933 H1 TIP3 187 -13.457 -10.490 -0.568 0.00 0.00 WAT1 ATOM 1934 H2 TIP3 187 -13.302 -8.984 -0.587 0.00 0.00 WAT1 ATOM 1935 OH2 TIP3 188 -25.643 -26.396 13.272 0.00 0.00 WAT1 ATOM 1936 H1 TIP3 188 -24.744 -26.670 13.087 0.00 0.00 WAT1 ATOM 1937 H2 TIP3 188 -26.029 -27.139 13.736 0.00 0.00 WAT1 ATOM 1938 OH2 TIP3 189 -14.045 -10.991 12.147 0.00 0.00 WAT1 ATOM 1939 H1 TIP3 189 -14.827 -11.177 11.627 0.00 0.00 WAT1 ATOM 1940 H2 TIP3 189 -14.117 -10.062 12.364 0.00 0.00 WAT1 ATOM 1941 OH2 TIP3 190 -18.495 -17.105 21.033 0.00 0.00 WAT1 ATOM 1942 H1 TIP3 190 -18.406 -16.161 20.901 0.00 0.00 WAT1 ATOM 1943 H2 TIP3 190 -19.134 -17.380 20.375 0.00 0.00 WAT1 ATOM 1944 OH2 TIP3 191 -19.562 -17.850 24.452 0.00 0.00 WAT1 ATOM 1945 H1 TIP3 191 -19.600 -18.496 25.157 0.00 0.00 WAT1 ATOM 1946 H2 TIP3 191 -19.885 -18.316 23.681 0.00 0.00 WAT1 ATOM 1947 OH2 TIP3 192 -21.173 -15.417 24.858 0.00 0.00 WAT1 ATOM 1948 H1 TIP3 192 -20.869 -16.103 24.264 0.00 0.00 WAT1 ATOM 1949 H2 TIP3 192 -20.451 -15.299 25.476 0.00 0.00 WAT1 ATOM 1950 OH2 TIP3 193 -18.032 -21.023 25.186 0.00 0.00 WAT1 ATOM 1951 H1 TIP3 193 -17.889 -21.970 25.206 0.00 0.00 WAT1 ATOM 1952 H2 TIP3 193 -18.138 -20.816 24.257 0.00 0.00 WAT1 ATOM 1953 OH2 TIP3 194 -18.698 -14.504 20.076 0.00 0.00 WAT1 ATOM 1954 H1 TIP3 194 -18.994 -14.826 19.225 0.00 0.00 WAT1 ATOM 1955 H2 TIP3 194 -19.022 -13.604 20.118 0.00 0.00 WAT1 ATOM 1956 OH2 TIP3 195 -15.344 -13.071 25.102 0.00 0.00 WAT1 ATOM 1957 H1 TIP3 195 -16.286 -13.013 25.263 0.00 0.00 WAT1 ATOM 1958 H2 TIP3 195 -15.068 -12.165 24.965 0.00 0.00 WAT1 ATOM 1959 OH2 TIP3 196 -22.041 -26.698 23.985 0.00 0.00 WAT1 ATOM 1960 H1 TIP3 196 -22.158 -27.647 23.931 0.00 0.00 WAT1 ATOM 1961 H2 TIP3 196 -22.896 -26.366 24.258 0.00 0.00 WAT1 ATOM 1962 OH2 TIP3 197 -17.092 -11.290 21.727 0.00 0.00 WAT1 ATOM 1963 H1 TIP3 197 -16.667 -11.997 21.242 0.00 0.00 WAT1 ATOM 1964 H2 TIP3 197 -16.775 -10.489 21.310 0.00 0.00 WAT1 ATOM 1965 OH2 TIP3 198 -15.933 -13.389 20.236 0.00 0.00 WAT1 ATOM 1966 H1 TIP3 198 -16.190 -14.079 19.624 0.00 0.00 WAT1 ATOM 1967 H2 TIP3 198 -15.862 -13.832 21.081 0.00 0.00 WAT1 ATOM 1968 OH2 TIP3 199 -14.247 -14.823 28.713 0.00 0.00 WAT1 ATOM 1969 H1 TIP3 199 -14.107 -15.414 27.974 0.00 0.00 WAT1 ATOM 1970 H2 TIP3 199 -14.079 -13.950 28.357 0.00 0.00 WAT1 ATOM 1971 OH2 TIP3 200 -19.774 -17.861 18.485 0.00 0.00 WAT1 ATOM 1972 H1 TIP3 200 -20.486 -17.326 18.134 0.00 0.00 WAT1 ATOM 1973 H2 TIP3 200 -19.083 -17.805 17.825 0.00 0.00 WAT1 ATOM 1974 OH2 TIP3 201 -19.720 -19.403 15.524 0.00 0.00 WAT1 ATOM 1975 H1 TIP3 201 -19.019 -19.381 16.175 0.00 0.00 WAT1 ATOM 1976 H2 TIP3 201 -19.418 -20.031 14.868 0.00 0.00 WAT1 ATOM 1977 OH2 TIP3 202 -16.471 -19.477 28.505 0.00 0.00 WAT1 ATOM 1978 H1 TIP3 202 -16.391 -18.714 29.077 0.00 0.00 WAT1 ATOM 1979 H2 TIP3 202 -17.072 -19.198 27.814 0.00 0.00 WAT1 ATOM 1980 OH2 TIP3 203 -18.047 -12.749 25.687 0.00 0.00 WAT1 ATOM 1981 H1 TIP3 203 -18.288 -12.087 26.335 0.00 0.00 WAT1 ATOM 1982 H2 TIP3 203 -18.245 -13.583 26.112 0.00 0.00 WAT1 ATOM 1983 OH2 TIP3 204 -17.497 -18.489 17.122 0.00 0.00 WAT1 ATOM 1984 H1 TIP3 204 -16.918 -18.339 17.869 0.00 0.00 WAT1 ATOM 1985 H2 TIP3 204 -17.083 -18.018 16.399 0.00 0.00 WAT1 ATOM 1986 OH2 TIP3 205 -12.609 -12.373 15.312 0.00 0.00 WAT1 ATOM 1987 H1 TIP3 205 -12.536 -11.434 15.482 0.00 0.00 WAT1 ATOM 1988 H2 TIP3 205 -11.704 -12.678 15.255 0.00 0.00 WAT1 ATOM 1989 OH2 TIP3 206 -11.692 -12.142 30.290 0.00 0.00 WAT1 ATOM 1990 H1 TIP3 206 -11.741 -13.097 30.253 0.00 0.00 WAT1 ATOM 1991 H2 TIP3 206 -12.518 -11.874 30.692 0.00 0.00 WAT1 ATOM 1992 OH2 TIP3 207 -20.109 -26.073 28.137 0.00 0.00 WAT1 ATOM 1993 H1 TIP3 207 -19.689 -26.488 28.890 0.00 0.00 WAT1 ATOM 1994 H2 TIP3 207 -21.042 -26.251 28.254 0.00 0.00 WAT1 ATOM 1995 OH2 TIP3 208 -16.020 -17.456 14.752 0.00 0.00 WAT1 ATOM 1996 H1 TIP3 208 -15.978 -17.679 13.822 0.00 0.00 WAT1 ATOM 1997 H2 TIP3 208 -15.171 -17.058 14.942 0.00 0.00 WAT1 ATOM 1998 OH2 TIP3 209 -20.447 -23.580 15.422 0.00 0.00 WAT1 ATOM 1999 H1 TIP3 209 -20.701 -23.561 16.345 0.00 0.00 WAT1 ATOM 2000 H2 TIP3 209 -20.704 -24.452 15.121 0.00 0.00 WAT1 ATOM 2001 OH2 TIP3 210 -19.148 -20.192 19.587 0.00 0.00 WAT1 ATOM 2002 H1 TIP3 210 -19.557 -19.377 19.295 0.00 0.00 WAT1 ATOM 2003 H2 TIP3 210 -18.428 -20.332 18.972 0.00 0.00 WAT1 ATOM 2004 OH2 TIP3 211 -20.046 -20.017 31.075 0.00 0.00 WAT1 ATOM 2005 H1 TIP3 211 -20.609 -20.721 31.395 0.00 0.00 WAT1 ATOM 2006 H2 TIP3 211 -19.220 -20.137 31.542 0.00 0.00 WAT1 ATOM 2007 OH2 TIP3 212 -18.144 -20.746 22.401 0.00 0.00 WAT1 ATOM 2008 H1 TIP3 212 -18.339 -20.141 21.686 0.00 0.00 WAT1 ATOM 2009 H2 TIP3 212 -17.962 -21.580 21.966 0.00 0.00 WAT1 ATOM 2010 OH2 TIP3 213 -23.565 -23.135 14.523 0.00 0.00 WAT1 ATOM 2011 H1 TIP3 213 -23.996 -23.580 15.253 0.00 0.00 WAT1 ATOM 2012 H2 TIP3 213 -24.283 -22.763 14.011 0.00 0.00 WAT1 ATOM 2013 OH2 TIP3 214 -18.880 -19.108 27.072 0.00 0.00 WAT1 ATOM 2014 H1 TIP3 214 -18.556 -19.739 26.429 0.00 0.00 WAT1 ATOM 2015 H2 TIP3 214 -19.320 -19.643 27.733 0.00 0.00 WAT1 ATOM 2016 OH2 TIP3 215 -22.102 -23.181 21.856 0.00 0.00 WAT1 ATOM 2017 H1 TIP3 215 -23.013 -23.124 22.145 0.00 0.00 WAT1 ATOM 2018 H2 TIP3 215 -21.597 -23.241 22.667 0.00 0.00 WAT1 ATOM 2019 OH2 TIP3 216 -17.697 -23.946 25.120 0.00 0.00 WAT1 ATOM 2020 H1 TIP3 216 -18.374 -23.815 25.784 0.00 0.00 WAT1 ATOM 2021 H2 TIP3 216 -18.183 -24.101 24.310 0.00 0.00 WAT1 ATOM 2022 OH2 TIP3 217 -24.947 -20.357 15.906 0.00 0.00 WAT1 ATOM 2023 H1 TIP3 217 -25.489 -20.737 15.215 0.00 0.00 WAT1 ATOM 2024 H2 TIP3 217 -24.113 -20.163 15.477 0.00 0.00 WAT1 ATOM 2025 OH2 TIP3 218 -20.782 -20.393 23.743 0.00 0.00 WAT1 ATOM 2026 H1 TIP3 218 -20.218 -20.940 23.196 0.00 0.00 WAT1 ATOM 2027 H2 TIP3 218 -20.930 -20.915 24.532 0.00 0.00 WAT1 ATOM 2028 OH2 TIP3 219 -20.092 -15.608 29.079 0.00 0.00 WAT1 ATOM 2029 H1 TIP3 219 -20.438 -15.989 29.885 0.00 0.00 WAT1 ATOM 2030 H2 TIP3 219 -20.292 -14.674 29.150 0.00 0.00 WAT1 ATOM 2031 OH2 TIP3 220 -19.486 -14.333 16.867 0.00 0.00 WAT1 ATOM 2032 H1 TIP3 220 -19.781 -13.507 17.249 0.00 0.00 WAT1 ATOM 2033 H2 TIP3 220 -20.189 -14.953 17.063 0.00 0.00 WAT1 ATOM 2034 OH2 TIP3 221 -17.842 -13.146 29.029 0.00 0.00 WAT1 ATOM 2035 H1 TIP3 221 -18.743 -12.963 28.761 0.00 0.00 WAT1 ATOM 2036 H2 TIP3 221 -17.808 -12.887 29.950 0.00 0.00 WAT1 ATOM 2037 OH2 TIP3 222 -13.815 -12.115 17.861 0.00 0.00 WAT1 ATOM 2038 H1 TIP3 222 -14.188 -12.941 18.171 0.00 0.00 WAT1 ATOM 2039 H2 TIP3 222 -13.538 -12.298 16.964 0.00 0.00 WAT1 ATOM 2040 OH2 TIP3 223 -18.626 -15.068 26.608 0.00 0.00 WAT1 ATOM 2041 H1 TIP3 223 -19.052 -15.295 27.434 0.00 0.00 WAT1 ATOM 2042 H2 TIP3 223 -18.045 -15.806 26.425 0.00 0.00 WAT1 ATOM 2043 OH2 TIP3 224 -16.423 -14.139 15.682 0.00 0.00 WAT1 ATOM 2044 H1 TIP3 224 -16.070 -14.519 16.486 0.00 0.00 WAT1 ATOM 2045 H2 TIP3 224 -17.372 -14.232 15.768 0.00 0.00 WAT1 ATOM 2046 OH2 TIP3 225 -11.919 -9.659 15.883 0.00 0.00 WAT1 ATOM 2047 H1 TIP3 225 -11.176 -9.073 15.743 0.00 0.00 WAT1 ATOM 2048 H2 TIP3 225 -12.614 -9.091 16.216 0.00 0.00 WAT1 ATOM 2049 OH2 TIP3 226 -15.557 -15.466 17.908 0.00 0.00 WAT1 ATOM 2050 H1 TIP3 226 -15.834 -16.194 18.464 0.00 0.00 WAT1 ATOM 2051 H2 TIP3 226 -14.630 -15.347 18.114 0.00 0.00 WAT1 ATOM 2052 OH2 TIP3 227 -19.110 -23.542 27.374 0.00 0.00 WAT1 ATOM 2053 H1 TIP3 227 -18.412 -23.468 28.024 0.00 0.00 WAT1 ATOM 2054 H2 TIP3 227 -19.491 -24.406 27.529 0.00 0.00 WAT1 ATOM 2055 OH2 TIP3 228 -21.126 -22.162 19.306 0.00 0.00 WAT1 ATOM 2056 H1 TIP3 228 -20.314 -21.658 19.352 0.00 0.00 WAT1 ATOM 2057 H2 TIP3 228 -21.371 -22.307 20.220 0.00 0.00 WAT1 ATOM 2058 OH2 TIP3 229 -20.590 -21.176 28.491 0.00 0.00 WAT1 ATOM 2059 H1 TIP3 229 -20.471 -20.602 29.248 0.00 0.00 WAT1 ATOM 2060 H2 TIP3 229 -19.935 -21.864 28.606 0.00 0.00 WAT1 ATOM 2061 OH2 TIP3 230 -20.242 -25.081 20.244 0.00 0.00 WAT1 ATOM 2062 H1 TIP3 230 -20.589 -24.463 20.889 0.00 0.00 WAT1 ATOM 2063 H2 TIP3 230 -19.584 -24.580 19.763 0.00 0.00 WAT1 ATOM 2064 OH2 TIP3 231 -24.585 -24.018 16.932 0.00 0.00 WAT1 ATOM 2065 H1 TIP3 231 -24.668 -23.129 17.278 0.00 0.00 WAT1 ATOM 2066 H2 TIP3 231 -23.695 -24.283 17.163 0.00 0.00 WAT1 ATOM 2067 OH2 TIP3 232 -14.697 -10.262 25.044 0.00 0.00 WAT1 ATOM 2068 H1 TIP3 232 -14.853 -9.584 24.387 0.00 0.00 WAT1 ATOM 2069 H2 TIP3 232 -13.765 -10.190 25.247 0.00 0.00 WAT1 ATOM 2070 OH2 TIP3 233 -15.690 -11.347 14.501 0.00 0.00 WAT1 ATOM 2071 H1 TIP3 233 -15.407 -12.141 14.954 0.00 0.00 WAT1 ATOM 2072 H2 TIP3 233 -14.950 -11.114 13.940 0.00 0.00 WAT1 ATOM 2073 OH2 TIP3 234 -16.686 -15.895 29.042 0.00 0.00 WAT1 ATOM 2074 H1 TIP3 234 -15.941 -15.307 28.922 0.00 0.00 WAT1 ATOM 2075 H2 TIP3 234 -17.443 -15.313 29.105 0.00 0.00 WAT1 ATOM 2076 OH2 TIP3 235 -22.515 -19.222 14.927 0.00 0.00 WAT1 ATOM 2077 H1 TIP3 235 -22.695 -19.376 13.999 0.00 0.00 WAT1 ATOM 2078 H2 TIP3 235 -21.564 -19.114 14.971 0.00 0.00 WAT1 ATOM 2079 OH2 TIP3 236 -17.547 -20.593 32.863 0.00 0.00 WAT1 ATOM 2080 H1 TIP3 236 -17.355 -21.524 32.752 0.00 0.00 WAT1 ATOM 2081 H2 TIP3 236 -16.690 -20.168 32.853 0.00 0.00 WAT1 ATOM 2082 OH2 TIP3 237 -16.231 -17.804 30.941 0.00 0.00 WAT1 ATOM 2083 H1 TIP3 237 -16.512 -17.095 30.363 0.00 0.00 WAT1 ATOM 2084 H2 TIP3 237 -15.288 -17.877 30.790 0.00 0.00 WAT1 ATOM 2085 OH2 TIP3 238 -18.759 -22.942 30.666 0.00 0.00 WAT1 ATOM 2086 H1 TIP3 238 -19.707 -22.910 30.798 0.00 0.00 WAT1 ATOM 2087 H2 TIP3 238 -18.447 -23.567 31.320 0.00 0.00 WAT1 ATOM 2088 OH2 TIP3 239 -17.125 -24.308 32.671 0.00 0.00 WAT1 ATOM 2089 H1 TIP3 239 -17.222 -25.260 32.665 0.00 0.00 WAT1 ATOM 2090 H2 TIP3 239 -17.447 -24.039 33.532 0.00 0.00 WAT1 ATOM 2091 OH2 TIP3 240 -22.517 -27.097 30.698 0.00 0.00 WAT1 ATOM 2092 H1 TIP3 240 -21.805 -27.737 30.684 0.00 0.00 WAT1 ATOM 2093 H2 TIP3 240 -22.618 -26.830 29.784 0.00 0.00 WAT1 ATOM 2094 OH2 TIP3 241 -11.981 -9.612 25.273 0.00 0.00 WAT1 ATOM 2095 H1 TIP3 241 -12.003 -9.427 26.212 0.00 0.00 WAT1 ATOM 2096 H2 TIP3 241 -11.291 -9.043 24.932 0.00 0.00 WAT1 ATOM 2097 OH2 TIP3 242 -12.418 -10.045 28.195 0.00 0.00 WAT1 ATOM 2098 H1 TIP3 242 -12.905 -10.780 27.824 0.00 0.00 WAT1 ATOM 2099 H2 TIP3 242 -11.869 -10.438 28.873 0.00 0.00 WAT1 ATOM 2100 OH2 TIP3 243 -13.967 -14.255 32.833 0.00 0.00 WAT1 ATOM 2101 H1 TIP3 243 -14.833 -14.360 33.227 0.00 0.00 WAT1 ATOM 2102 H2 TIP3 243 -13.591 -13.496 33.280 0.00 0.00 WAT1 ATOM 2103 OH2 TIP3 244 -14.026 -12.282 27.426 0.00 0.00 WAT1 ATOM 2104 H1 TIP3 244 -14.674 -11.957 28.051 0.00 0.00 WAT1 ATOM 2105 H2 TIP3 244 -14.544 -12.722 26.751 0.00 0.00 WAT1 ATOM 2106 OH2 TIP3 245 -15.243 -9.522 20.845 0.00 0.00 WAT1 ATOM 2107 H1 TIP3 245 -14.590 -9.869 20.237 0.00 0.00 WAT1 ATOM 2108 H2 TIP3 245 -14.732 -9.033 21.491 0.00 0.00 WAT1 ATOM 2109 OH2 TIP3 246 -19.900 -24.895 23.253 0.00 0.00 WAT1 ATOM 2110 H1 TIP3 246 -20.575 -25.524 23.508 0.00 0.00 WAT1 ATOM 2111 H2 TIP3 246 -19.336 -25.379 22.650 0.00 0.00 WAT1 ATOM 2112 OH2 TIP3 247 -22.994 -26.334 20.888 0.00 0.00 WAT1 ATOM 2113 H1 TIP3 247 -22.120 -25.946 20.858 0.00 0.00 WAT1 ATOM 2114 H2 TIP3 247 -23.130 -26.549 21.811 0.00 0.00 WAT1 ATOM 2115 OH2 TIP3 248 -17.437 -26.304 22.537 0.00 0.00 WAT1 ATOM 2116 H1 TIP3 248 -17.361 -26.209 21.588 0.00 0.00 WAT1 ATOM 2117 H2 TIP3 248 -17.713 -27.212 22.666 0.00 0.00 WAT1 ATOM 2118 OH2 TIP3 249 -21.850 -24.254 17.778 0.00 0.00 WAT1 ATOM 2119 H1 TIP3 249 -21.672 -24.900 18.461 0.00 0.00 WAT1 ATOM 2120 H2 TIP3 249 -21.904 -23.420 18.245 0.00 0.00 WAT1 ATOM 2121 OH2 TIP3 250 -13.263 -9.742 18.853 0.00 0.00 WAT1 ATOM 2122 H1 TIP3 250 -13.457 -10.490 18.288 0.00 0.00 WAT1 ATOM 2123 H2 TIP3 250 -13.302 -8.984 18.269 0.00 0.00 WAT1 ATOM 2124 OH2 TIP3 251 -17.221 -27.064 32.310 0.00 0.00 WAT1 ATOM 2125 H1 TIP3 251 -17.145 -27.490 33.164 0.00 0.00 WAT1 ATOM 2126 H2 TIP3 251 -16.328 -27.050 31.968 0.00 0.00 WAT1 ATOM 2127 OH2 TIP3 252 -14.045 -10.991 31.003 0.00 0.00 WAT1 ATOM 2128 H1 TIP3 252 -14.827 -11.177 30.483 0.00 0.00 WAT1 ATOM 2129 H2 TIP3 252 -14.117 -10.062 31.220 0.00 0.00 WAT1 ATOM 2130 OH2 TIP3 253 -12.510 -23.816 44.575 0.00 0.00 WAT1 ATOM 2131 H1 TIP3 253 -12.461 -23.206 45.311 0.00 0.00 WAT1 ATOM 2132 H2 TIP3 253 -12.084 -23.355 43.852 0.00 0.00 WAT1 ATOM 2133 OH2 TIP3 254 -17.155 -22.791 39.715 0.00 0.00 WAT1 ATOM 2134 H1 TIP3 254 -16.509 -23.120 40.340 0.00 0.00 WAT1 ATOM 2135 H2 TIP3 254 -16.645 -22.273 39.092 0.00 0.00 WAT1 ATOM 2136 OH2 TIP3 255 -15.391 -23.500 41.696 0.00 0.00 WAT1 ATOM 2137 H1 TIP3 255 -15.606 -24.266 42.228 0.00 0.00 WAT1 ATOM 2138 H2 TIP3 255 -14.735 -23.028 42.209 0.00 0.00 WAT1 ATOM 2139 OH2 TIP3 256 -12.609 -12.373 34.168 0.00 0.00 WAT1 ATOM 2140 H1 TIP3 256 -12.536 -11.434 34.338 0.00 0.00 WAT1 ATOM 2141 H2 TIP3 256 -11.704 -12.678 34.111 0.00 0.00 WAT1 ATOM 2142 OH2 TIP3 257 -16.020 -17.456 33.608 0.00 0.00 WAT1 ATOM 2143 H1 TIP3 257 -15.978 -17.679 32.678 0.00 0.00 WAT1 ATOM 2144 H2 TIP3 257 -15.171 -17.058 33.798 0.00 0.00 WAT1 ATOM 2145 OH2 TIP3 258 -17.714 -22.978 34.897 0.00 0.00 WAT1 ATOM 2146 H1 TIP3 258 -18.652 -22.866 34.746 0.00 0.00 WAT1 ATOM 2147 H2 TIP3 258 -17.417 -22.121 35.203 0.00 0.00 WAT1 ATOM 2148 OH2 TIP3 259 -16.996 -21.111 36.558 0.00 0.00 WAT1 ATOM 2149 H1 TIP3 259 -16.104 -21.248 36.877 0.00 0.00 WAT1 ATOM 2150 H2 TIP3 259 -16.939 -20.320 36.021 0.00 0.00 WAT1 ATOM 2151 OH2 TIP3 260 -18.326 -23.890 37.327 0.00 0.00 WAT1 ATOM 2152 H1 TIP3 260 -18.106 -23.418 36.524 0.00 0.00 WAT1 ATOM 2153 H2 TIP3 260 -17.768 -23.495 37.998 0.00 0.00 WAT1 ATOM 2154 OH2 TIP3 261 -12.666 -15.998 37.203 0.00 0.00 WAT1 ATOM 2155 H1 TIP3 261 -11.816 -15.577 37.331 0.00 0.00 WAT1 ATOM 2156 H2 TIP3 261 -12.661 -16.738 37.811 0.00 0.00 WAT1 ATOM 2157 OH2 TIP3 262 -12.272 -17.945 39.027 0.00 0.00 WAT1 ATOM 2158 H1 TIP3 262 -12.998 -18.424 39.425 0.00 0.00 WAT1 ATOM 2159 H2 TIP3 262 -11.691 -17.739 39.759 0.00 0.00 WAT1 ATOM 2160 OH2 TIP3 263 -12.004 -18.044 35.418 0.00 0.00 WAT1 ATOM 2161 H1 TIP3 263 -12.525 -17.687 34.699 0.00 0.00 WAT1 ATOM 2162 H2 TIP3 263 -12.037 -17.369 36.096 0.00 0.00 WAT1 ATOM 2163 OH2 TIP3 264 -14.485 -19.424 39.590 0.00 0.00 WAT1 ATOM 2164 H1 TIP3 264 -14.635 -20.369 39.570 0.00 0.00 WAT1 ATOM 2165 H2 TIP3 264 -14.839 -19.143 40.434 0.00 0.00 WAT1 ATOM 2166 OH2 TIP3 265 -14.775 -21.841 38.052 0.00 0.00 WAT1 ATOM 2167 H1 TIP3 265 -14.495 -22.748 38.177 0.00 0.00 WAT1 ATOM 2168 H2 TIP3 265 -14.016 -21.407 37.663 0.00 0.00 WAT1 ATOM 2169 OH2 TIP3 266 -14.758 -26.788 42.221 0.00 0.00 WAT1 ATOM 2170 H1 TIP3 266 -14.154 -26.240 41.720 0.00 0.00 WAT1 ATOM 2171 H2 TIP3 266 -15.627 -26.468 41.981 0.00 0.00 WAT1 ATOM 2172 OH2 TIP3 267 -17.437 -26.304 41.393 0.00 0.00 WAT1 ATOM 2173 H1 TIP3 267 -17.361 -26.209 40.444 0.00 0.00 WAT1 ATOM 2174 H2 TIP3 267 -17.713 -27.212 41.522 0.00 0.00 WAT1 ATOM 2175 OH2 TIP3 268 -19.562 1.006 -13.260 0.00 0.00 WAT1 ATOM 2176 H1 TIP3 268 -19.600 0.360 -12.555 0.00 0.00 WAT1 ATOM 2177 H2 TIP3 268 -19.885 0.540 -14.031 0.00 0.00 WAT1 ATOM 2178 OH2 TIP3 269 -15.856 3.945 -14.958 0.00 0.00 WAT1 ATOM 2179 H1 TIP3 269 -16.297 3.225 -14.508 0.00 0.00 WAT1 ATOM 2180 H2 TIP3 269 -15.869 4.666 -14.328 0.00 0.00 WAT1 ATOM 2181 OH2 TIP3 270 -21.173 3.439 -12.854 0.00 0.00 WAT1 ATOM 2182 H1 TIP3 270 -20.869 2.753 -13.448 0.00 0.00 WAT1 ATOM 2183 H2 TIP3 270 -20.451 3.557 -12.236 0.00 0.00 WAT1 ATOM 2184 OH2 TIP3 271 -17.155 -3.935 -16.853 0.00 0.00 WAT1 ATOM 2185 H1 TIP3 271 -16.509 -4.264 -16.228 0.00 0.00 WAT1 ATOM 2186 H2 TIP3 271 -16.645 -3.417 -17.476 0.00 0.00 WAT1 ATOM 2187 OH2 TIP3 272 -15.391 -4.644 -14.872 0.00 0.00 WAT1 ATOM 2188 H1 TIP3 272 -15.606 -5.410 -14.340 0.00 0.00 WAT1 ATOM 2189 H2 TIP3 272 -14.735 -4.172 -14.359 0.00 0.00 WAT1 ATOM 2190 OH2 TIP3 273 -22.041 -7.842 -13.727 0.00 0.00 WAT1 ATOM 2191 H1 TIP3 273 -22.158 -8.791 -13.781 0.00 0.00 WAT1 ATOM 2192 H2 TIP3 273 -22.896 -7.510 -13.454 0.00 0.00 WAT1 ATOM 2193 OH2 TIP3 274 -17.092 7.566 -15.985 0.00 0.00 WAT1 ATOM 2194 H1 TIP3 274 -16.667 6.859 -16.470 0.00 0.00 WAT1 ATOM 2195 H2 TIP3 274 -16.775 8.367 -16.402 0.00 0.00 WAT1 ATOM 2196 OH2 TIP3 275 -16.368 1.205 -18.275 0.00 0.00 WAT1 ATOM 2197 H1 TIP3 275 -17.100 1.433 -17.702 0.00 0.00 WAT1 ATOM 2198 H2 TIP3 275 -15.921 0.491 -17.820 0.00 0.00 WAT1 ATOM 2199 OH2 TIP3 276 -18.047 6.107 -12.025 0.00 0.00 WAT1 ATOM 2200 H1 TIP3 276 -18.288 6.769 -11.377 0.00 0.00 WAT1 ATOM 2201 H2 TIP3 276 -18.245 5.273 -11.600 0.00 0.00 WAT1 ATOM 2202 OH2 TIP3 277 -23.476 5.003 -8.042 0.00 0.00 WAT1 ATOM 2203 H1 TIP3 277 -23.788 5.785 -7.586 0.00 0.00 WAT1 ATOM 2204 H2 TIP3 277 -24.126 4.850 -8.728 0.00 0.00 WAT1 ATOM 2205 OH2 TIP3 278 -20.713 6.288 -8.546 0.00 0.00 WAT1 ATOM 2206 H1 TIP3 278 -20.626 7.114 -8.071 0.00 0.00 WAT1 ATOM 2207 H2 TIP3 278 -21.577 5.958 -8.297 0.00 0.00 WAT1 ATOM 2208 OH2 TIP3 279 -20.046 -1.161 -6.637 0.00 0.00 WAT1 ATOM 2209 H1 TIP3 279 -20.609 -1.865 -6.317 0.00 0.00 WAT1 ATOM 2210 H2 TIP3 279 -19.220 -1.281 -6.170 0.00 0.00 WAT1 ATOM 2211 OH2 TIP3 280 -18.144 -1.890 -15.311 0.00 0.00 WAT1 ATOM 2212 H1 TIP3 280 -18.339 -1.285 -16.026 0.00 0.00 WAT1 ATOM 2213 H2 TIP3 280 -17.962 -2.724 -15.746 0.00 0.00 WAT1 ATOM 2214 OH2 TIP3 281 -18.880 -0.252 -10.640 0.00 0.00 WAT1 ATOM 2215 H1 TIP3 281 -18.556 -0.883 -11.283 0.00 0.00 WAT1 ATOM 2216 H2 TIP3 281 -19.320 -0.787 -9.979 0.00 0.00 WAT1 ATOM 2217 OH2 TIP3 282 -20.782 -1.537 -13.969 0.00 0.00 WAT1 ATOM 2218 H1 TIP3 282 -20.218 -2.084 -14.516 0.00 0.00 WAT1 ATOM 2219 H2 TIP3 282 -20.930 -2.059 -13.180 0.00 0.00 WAT1 ATOM 2220 OH2 TIP3 283 -22.156 -3.149 -11.555 0.00 0.00 WAT1 ATOM 2221 H1 TIP3 283 -22.991 -2.695 -11.445 0.00 0.00 WAT1 ATOM 2222 H2 TIP3 283 -21.632 -2.873 -10.803 0.00 0.00 WAT1 ATOM 2223 OH2 TIP3 284 -20.092 3.248 -8.633 0.00 0.00 WAT1 ATOM 2224 H1 TIP3 284 -20.438 2.867 -7.827 0.00 0.00 WAT1 ATOM 2225 H2 TIP3 284 -20.292 4.182 -8.562 0.00 0.00 WAT1 ATOM 2226 OH2 TIP3 285 -22.462 0.337 -6.573 0.00 0.00 WAT1 ATOM 2227 H1 TIP3 285 -22.758 0.171 -7.468 0.00 0.00 WAT1 ATOM 2228 H2 TIP3 285 -21.531 0.117 -6.583 0.00 0.00 WAT1 ATOM 2229 OH2 TIP3 286 -16.655 1.549 -12.829 0.00 0.00 WAT1 ATOM 2230 H1 TIP3 286 -17.583 1.317 -12.856 0.00 0.00 WAT1 ATOM 2231 H2 TIP3 286 -16.204 0.772 -13.159 0.00 0.00 WAT1 ATOM 2232 OH2 TIP3 287 -15.784 -0.662 -14.290 0.00 0.00 WAT1 ATOM 2233 H1 TIP3 287 -16.581 -1.077 -14.619 0.00 0.00 WAT1 ATOM 2234 H2 TIP3 287 -15.339 -1.353 -13.799 0.00 0.00 WAT1 ATOM 2235 OH2 TIP3 288 -14.697 8.594 -12.668 0.00 0.00 WAT1 ATOM 2236 H1 TIP3 288 -14.853 9.272 -13.325 0.00 0.00 WAT1 ATOM 2237 H2 TIP3 288 -13.765 8.666 -12.465 0.00 0.00 WAT1 ATOM 2238 OH2 TIP3 289 -22.421 3.045 -6.053 0.00 0.00 WAT1 ATOM 2239 H1 TIP3 289 -22.749 3.316 -6.911 0.00 0.00 WAT1 ATOM 2240 H2 TIP3 289 -22.269 2.104 -6.141 0.00 0.00 WAT1 ATOM 2241 OH2 TIP3 290 -24.297 -0.716 -8.692 0.00 0.00 WAT1 ATOM 2242 H1 TIP3 290 -24.915 -0.041 -8.411 0.00 0.00 WAT1 ATOM 2243 H2 TIP3 290 -23.953 -0.395 -9.525 0.00 0.00 WAT1 ATOM 2244 OH2 TIP3 291 -19.277 1.755 -5.414 0.00 0.00 WAT1 ATOM 2245 H1 TIP3 291 -18.324 1.839 -5.442 0.00 0.00 WAT1 ATOM 2246 H2 TIP3 291 -19.437 1.044 -4.795 0.00 0.00 WAT1 ATOM 2247 OH2 TIP3 292 -23.957 -3.361 -7.609 0.00 0.00 WAT1 ATOM 2248 H1 TIP3 292 -23.807 -4.090 -8.212 0.00 0.00 WAT1 ATOM 2249 H2 TIP3 292 -23.955 -2.584 -8.168 0.00 0.00 WAT1 ATOM 2250 OH2 TIP3 293 -23.545 -4.991 -10.117 0.00 0.00 WAT1 ATOM 2251 H1 TIP3 293 -23.009 -4.540 -10.769 0.00 0.00 WAT1 ATOM 2252 H2 TIP3 293 -24.397 -5.099 -10.539 0.00 0.00 WAT1 ATOM 2253 OH2 TIP3 294 -21.963 0.448 -9.877 0.00 0.00 WAT1 ATOM 2254 H1 TIP3 294 -21.212 0.292 -10.450 0.00 0.00 WAT1 ATOM 2255 H2 TIP3 294 -22.302 1.300 -10.153 0.00 0.00 WAT1 ATOM 2256 OH2 TIP3 295 -22.739 -7.535 -9.685 0.00 0.00 WAT1 ATOM 2257 H1 TIP3 295 -22.837 -6.588 -9.791 0.00 0.00 WAT1 ATOM 2258 H2 TIP3 295 -23.482 -7.907 -10.161 0.00 0.00 WAT1 ATOM 2259 OH2 TIP3 296 -21.475 -3.213 -6.122 0.00 0.00 WAT1 ATOM 2260 H1 TIP3 296 -21.711 -3.433 -5.220 0.00 0.00 WAT1 ATOM 2261 H2 TIP3 296 -22.258 -3.420 -6.631 0.00 0.00 WAT1 ATOM 2262 OH2 TIP3 297 -22.517 -8.241 -7.014 0.00 0.00 WAT1 ATOM 2263 H1 TIP3 297 -21.805 -8.881 -7.028 0.00 0.00 WAT1 ATOM 2264 H2 TIP3 297 -22.618 -7.974 -7.928 0.00 0.00 WAT1 ATOM 2265 OH2 TIP3 298 -22.164 -6.558 -4.960 0.00 0.00 WAT1 ATOM 2266 H1 TIP3 298 -22.295 -7.034 -5.781 0.00 0.00 WAT1 ATOM 2267 H2 TIP3 298 -22.763 -5.814 -5.016 0.00 0.00 WAT1 ATOM 2268 OH2 TIP3 299 -11.981 9.244 -12.439 0.00 0.00 WAT1 ATOM 2269 H1 TIP3 299 -12.003 9.429 -11.500 0.00 0.00 WAT1 ATOM 2270 H2 TIP3 299 -11.291 9.813 -12.780 0.00 0.00 WAT1 ATOM 2271 OH2 TIP3 300 -12.418 8.811 -9.517 0.00 0.00 WAT1 ATOM 2272 H1 TIP3 300 -12.905 8.076 -9.888 0.00 0.00 WAT1 ATOM 2273 H2 TIP3 300 -11.869 8.418 -8.839 0.00 0.00 WAT1 ATOM 2274 OH2 TIP3 301 -12.666 2.858 -19.365 0.00 0.00 WAT1 ATOM 2275 H1 TIP3 301 -11.816 3.279 -19.237 0.00 0.00 WAT1 ATOM 2276 H2 TIP3 301 -12.661 2.118 -18.757 0.00 0.00 WAT1 ATOM 2277 OH2 TIP3 302 -12.272 0.911 -17.541 0.00 0.00 WAT1 ATOM 2278 H1 TIP3 302 -12.998 0.432 -17.143 0.00 0.00 WAT1 ATOM 2279 H2 TIP3 302 -11.691 1.117 -16.809 0.00 0.00 WAT1 ATOM 2280 OH2 TIP3 303 -14.485 -0.568 -16.978 0.00 0.00 WAT1 ATOM 2281 H1 TIP3 303 -14.635 -1.513 -16.998 0.00 0.00 WAT1 ATOM 2282 H2 TIP3 303 -14.839 -0.287 -16.134 0.00 0.00 WAT1 ATOM 2283 OH2 TIP3 304 -14.775 -2.985 -18.516 0.00 0.00 WAT1 ATOM 2284 H1 TIP3 304 -14.495 -3.892 -18.391 0.00 0.00 WAT1 ATOM 2285 H2 TIP3 304 -14.016 -2.551 -18.905 0.00 0.00 WAT1 ATOM 2286 OH2 TIP3 305 -20.593 8.637 -7.106 0.00 0.00 WAT1 ATOM 2287 H1 TIP3 305 -20.408 8.303 -6.228 0.00 0.00 WAT1 ATOM 2288 H2 TIP3 305 -19.746 8.946 -7.428 0.00 0.00 WAT1 ATOM 2289 OH2 TIP3 306 -18.248 9.922 -7.862 0.00 0.00 WAT1 ATOM 2290 H1 TIP3 306 -17.571 9.290 -8.102 0.00 0.00 WAT1 ATOM 2291 H2 TIP3 306 -17.926 10.324 -7.054 0.00 0.00 WAT1 ATOM 2292 OH2 TIP3 307 -17.997 8.860 -10.867 0.00 0.00 WAT1 ATOM 2293 H1 TIP3 307 -18.901 9.025 -11.133 0.00 0.00 WAT1 ATOM 2294 H2 TIP3 307 -17.568 9.713 -10.933 0.00 0.00 WAT1 ATOM 2295 OH2 TIP3 308 -15.392 10.430 -10.572 0.00 0.00 WAT1 ATOM 2296 H1 TIP3 308 -15.574 11.346 -10.783 0.00 0.00 WAT1 ATOM 2297 H2 TIP3 308 -15.216 10.020 -11.419 0.00 0.00 WAT1 ATOM 2298 OH2 TIP3 309 -19.900 -6.039 -14.459 0.00 0.00 WAT1 ATOM 2299 H1 TIP3 309 -20.575 -6.668 -14.204 0.00 0.00 WAT1 ATOM 2300 H2 TIP3 309 -19.336 -6.523 -15.062 0.00 0.00 WAT1 ATOM 2301 OH2 TIP3 310 -14.758 -7.932 -14.347 0.00 0.00 WAT1 ATOM 2302 H1 TIP3 310 -14.154 -7.384 -14.848 0.00 0.00 WAT1 ATOM 2303 H2 TIP3 310 -15.627 -7.612 -14.587 0.00 0.00 WAT1 ATOM 2304 OH2 TIP3 311 -13.031 -6.793 -16.013 0.00 0.00 WAT1 ATOM 2305 H1 TIP3 311 -12.419 -7.307 -16.540 0.00 0.00 WAT1 ATOM 2306 H2 TIP3 311 -12.648 -5.915 -15.990 0.00 0.00 WAT1 ATOM 2307 OH2 TIP3 312 -17.437 -7.448 -15.175 0.00 0.00 WAT1 ATOM 2308 H1 TIP3 312 -17.361 -7.353 -16.124 0.00 0.00 WAT1 ATOM 2309 H2 TIP3 312 -17.713 -8.356 -15.046 0.00 0.00 WAT1 ATOM 2310 OH2 TIP3 313 -18.698 4.352 1.220 0.00 0.00 WAT1 ATOM 2311 H1 TIP3 313 -18.994 4.030 0.369 0.00 0.00 WAT1 ATOM 2312 H2 TIP3 313 -19.022 5.252 1.262 0.00 0.00 WAT1 ATOM 2313 OH2 TIP3 314 -15.391 -4.644 3.984 0.00 0.00 WAT1 ATOM 2314 H1 TIP3 314 -15.606 -5.410 4.516 0.00 0.00 WAT1 ATOM 2315 H2 TIP3 314 -14.735 -4.172 4.497 0.00 0.00 WAT1 ATOM 2316 OH2 TIP3 315 -17.092 7.566 2.871 0.00 0.00 WAT1 ATOM 2317 H1 TIP3 315 -16.667 6.859 2.386 0.00 0.00 WAT1 ATOM 2318 H2 TIP3 315 -16.775 8.367 2.454 0.00 0.00 WAT1 ATOM 2319 OH2 TIP3 316 -15.933 5.467 1.380 0.00 0.00 WAT1 ATOM 2320 H1 TIP3 316 -16.190 4.777 0.768 0.00 0.00 WAT1 ATOM 2321 H2 TIP3 316 -15.862 5.024 2.225 0.00 0.00 WAT1 ATOM 2322 OH2 TIP3 317 -19.774 0.995 -0.371 0.00 0.00 WAT1 ATOM 2323 H1 TIP3 317 -20.486 1.530 -0.722 0.00 0.00 WAT1 ATOM 2324 H2 TIP3 317 -19.083 1.051 -1.031 0.00 0.00 WAT1 ATOM 2325 OH2 TIP3 318 -19.720 -0.547 -3.332 0.00 0.00 WAT1 ATOM 2326 H1 TIP3 318 -19.019 -0.525 -2.681 0.00 0.00 WAT1 ATOM 2327 H2 TIP3 318 -19.418 -1.175 -3.988 0.00 0.00 WAT1 ATOM 2328 OH2 TIP3 319 -16.368 1.205 0.581 0.00 0.00 WAT1 ATOM 2329 H1 TIP3 319 -17.100 1.433 1.154 0.00 0.00 WAT1 ATOM 2330 H2 TIP3 319 -15.921 0.491 1.036 0.00 0.00 WAT1 ATOM 2331 OH2 TIP3 320 -17.497 0.367 -1.734 0.00 0.00 WAT1 ATOM 2332 H1 TIP3 320 -16.918 0.517 -0.987 0.00 0.00 WAT1 ATOM 2333 H2 TIP3 320 -17.083 0.838 -2.457 0.00 0.00 WAT1 ATOM 2334 OH2 TIP3 321 -19.771 7.104 1.701 0.00 0.00 WAT1 ATOM 2335 H1 TIP3 321 -19.297 7.399 2.479 0.00 0.00 WAT1 ATOM 2336 H2 TIP3 321 -20.334 7.842 1.468 0.00 0.00 WAT1 ATOM 2337 OH2 TIP3 322 -13.799 -7.883 -1.921 0.00 0.00 WAT1 ATOM 2338 H1 TIP3 322 -14.698 -7.744 -1.626 0.00 0.00 WAT1 ATOM 2339 H2 TIP3 322 -13.547 -7.052 -2.323 0.00 0.00 WAT1 ATOM 2340 OH2 TIP3 323 -20.299 10.060 0.116 0.00 0.00 WAT1 ATOM 2341 H1 TIP3 323 -20.374 9.939 -0.830 0.00 0.00 WAT1 ATOM 2342 H2 TIP3 323 -20.266 11.010 0.235 0.00 0.00 WAT1 ATOM 2343 OH2 TIP3 324 -17.528 9.140 -0.132 0.00 0.00 WAT1 ATOM 2344 H1 TIP3 324 -18.463 9.240 0.047 0.00 0.00 WAT1 ATOM 2345 H2 TIP3 324 -17.248 8.431 0.446 0.00 0.00 WAT1 ATOM 2346 OH2 TIP3 325 -20.447 -4.724 -3.434 0.00 0.00 WAT1 ATOM 2347 H1 TIP3 325 -20.701 -4.705 -2.511 0.00 0.00 WAT1 ATOM 2348 H2 TIP3 325 -20.704 -5.596 -3.735 0.00 0.00 WAT1 ATOM 2349 OH2 TIP3 326 -23.565 -4.279 -4.333 0.00 0.00 WAT1 ATOM 2350 H1 TIP3 326 -23.996 -4.724 -3.603 0.00 0.00 WAT1 ATOM 2351 H2 TIP3 326 -24.283 -3.907 -4.845 0.00 0.00 WAT1 ATOM 2352 OH2 TIP3 327 -21.612 3.064 -1.014 0.00 0.00 WAT1 ATOM 2353 H1 TIP3 327 -22.356 2.557 -1.337 0.00 0.00 WAT1 ATOM 2354 H2 TIP3 327 -21.746 3.113 -0.068 0.00 0.00 WAT1 ATOM 2355 OH2 TIP3 328 -17.714 -4.122 -2.815 0.00 0.00 WAT1 ATOM 2356 H1 TIP3 328 -18.652 -4.010 -2.966 0.00 0.00 WAT1 ATOM 2357 H2 TIP3 328 -17.417 -3.265 -2.509 0.00 0.00 WAT1 ATOM 2358 OH2 TIP3 329 -16.996 -2.255 -1.154 0.00 0.00 WAT1 ATOM 2359 H1 TIP3 329 -16.104 -2.392 -0.835 0.00 0.00 WAT1 ATOM 2360 H2 TIP3 329 -16.939 -1.464 -1.691 0.00 0.00 WAT1 ATOM 2361 OH2 TIP3 330 -19.486 4.523 -1.989 0.00 0.00 WAT1 ATOM 2362 H1 TIP3 330 -19.781 5.349 -1.607 0.00 0.00 WAT1 ATOM 2363 H2 TIP3 330 -20.189 3.903 -1.793 0.00 0.00 WAT1 ATOM 2364 OH2 TIP3 331 -12.111 -2.045 -1.460 0.00 0.00 WAT1 ATOM 2365 H1 TIP3 331 -12.665 -2.441 -2.132 0.00 0.00 WAT1 ATOM 2366 H2 TIP3 331 -12.010 -1.135 -1.737 0.00 0.00 WAT1 ATOM 2367 OH2 TIP3 332 -15.557 3.390 -0.948 0.00 0.00 WAT1 ATOM 2368 H1 TIP3 332 -15.834 2.662 -0.392 0.00 0.00 WAT1 ATOM 2369 H2 TIP3 332 -14.630 3.509 -0.742 0.00 0.00 WAT1 ATOM 2370 OH2 TIP3 333 -22.332 5.829 -4.727 0.00 0.00 WAT1 ATOM 2371 H1 TIP3 333 -22.093 5.081 -5.275 0.00 0.00 WAT1 ATOM 2372 H2 TIP3 333 -22.601 5.441 -3.895 0.00 0.00 WAT1 ATOM 2373 OH2 TIP3 334 -23.395 5.399 -2.271 0.00 0.00 WAT1 ATOM 2374 H1 TIP3 334 -23.248 4.879 -1.481 0.00 0.00 WAT1 ATOM 2375 H2 TIP3 334 -23.398 6.306 -1.965 0.00 0.00 WAT1 ATOM 2376 OH2 TIP3 335 -18.326 -5.034 -0.385 0.00 0.00 WAT1 ATOM 2377 H1 TIP3 335 -18.106 -4.562 -1.188 0.00 0.00 WAT1 ATOM 2378 H2 TIP3 335 -17.768 -4.639 0.286 0.00 0.00 WAT1 ATOM 2379 OH2 TIP3 336 -20.657 7.097 -1.522 0.00 0.00 WAT1 ATOM 2380 H1 TIP3 336 -21.474 7.594 -1.469 0.00 0.00 WAT1 ATOM 2381 H2 TIP3 336 -20.128 7.572 -2.162 0.00 0.00 WAT1 ATOM 2382 OH2 TIP3 337 -20.294 7.692 -4.589 0.00 0.00 WAT1 ATOM 2383 H1 TIP3 337 -20.938 7.061 -4.267 0.00 0.00 WAT1 ATOM 2384 H2 TIP3 337 -19.532 7.161 -4.821 0.00 0.00 WAT1 ATOM 2385 OH2 TIP3 338 -22.515 -0.366 -3.929 0.00 0.00 WAT1 ATOM 2386 H1 TIP3 338 -22.695 -0.520 -4.857 0.00 0.00 WAT1 ATOM 2387 H2 TIP3 338 -21.564 -0.258 -3.885 0.00 0.00 WAT1 ATOM 2388 OH2 TIP3 339 -22.617 10.325 -2.928 0.00 0.00 WAT1 ATOM 2389 H1 TIP3 339 -21.684 10.483 -2.784 0.00 0.00 WAT1 ATOM 2390 H2 TIP3 339 -22.881 11.000 -3.553 0.00 0.00 WAT1 ATOM 2391 OH2 TIP3 340 -12.666 2.858 -0.509 0.00 0.00 WAT1 ATOM 2392 H1 TIP3 340 -11.816 3.279 -0.381 0.00 0.00 WAT1 ATOM 2393 H2 TIP3 340 -12.661 2.118 0.099 0.00 0.00 WAT1 ATOM 2394 OH2 TIP3 341 -12.272 0.911 1.315 0.00 0.00 WAT1 ATOM 2395 H1 TIP3 341 -12.998 0.432 1.713 0.00 0.00 WAT1 ATOM 2396 H2 TIP3 341 -11.691 1.117 2.047 0.00 0.00 WAT1 ATOM 2397 OH2 TIP3 342 -12.004 0.812 -2.294 0.00 0.00 WAT1 ATOM 2398 H1 TIP3 342 -12.525 1.169 -3.013 0.00 0.00 WAT1 ATOM 2399 H2 TIP3 342 -12.037 1.487 -1.616 0.00 0.00 WAT1 ATOM 2400 OH2 TIP3 343 -14.485 -0.568 1.878 0.00 0.00 WAT1 ATOM 2401 H1 TIP3 343 -14.635 -1.513 1.858 0.00 0.00 WAT1 ATOM 2402 H2 TIP3 343 -14.839 -0.287 2.722 0.00 0.00 WAT1 ATOM 2403 OH2 TIP3 344 -14.775 -2.985 0.340 0.00 0.00 WAT1 ATOM 2404 H1 TIP3 344 -14.495 -3.892 0.465 0.00 0.00 WAT1 ATOM 2405 H2 TIP3 344 -14.016 -2.551 -0.049 0.00 0.00 WAT1 ATOM 2406 OH2 TIP3 345 -11.851 -7.687 13.906 0.00 0.00 WAT1 ATOM 2407 H1 TIP3 345 -11.501 -8.341 13.300 0.00 0.00 WAT1 ATOM 2408 H2 TIP3 345 -11.704 -6.850 13.466 0.00 0.00 WAT1 ATOM 2409 OH2 TIP3 346 -14.161 -5.722 0.389 0.00 0.00 WAT1 ATOM 2410 H1 TIP3 346 -13.979 -6.171 1.214 0.00 0.00 WAT1 ATOM 2411 H2 TIP3 346 -14.761 -6.307 -0.075 0.00 0.00 WAT1 ATOM 2412 OH2 TIP3 347 -12.331 -5.578 12.255 0.00 0.00 WAT1 ATOM 2413 H1 TIP3 347 -13.248 -5.307 12.219 0.00 0.00 WAT1 ATOM 2414 H2 TIP3 347 -12.208 -6.113 11.471 0.00 0.00 WAT1 ATOM 2415 OH2 TIP3 348 -15.243 9.334 1.989 0.00 0.00 WAT1 ATOM 2416 H1 TIP3 348 -14.590 8.987 1.381 0.00 0.00 WAT1 ATOM 2417 H2 TIP3 348 -14.732 9.823 2.635 0.00 0.00 WAT1 ATOM 2418 OH2 TIP3 349 -13.330 -7.488 10.074 0.00 0.00 WAT1 ATOM 2419 H1 TIP3 349 -14.143 -7.163 9.686 0.00 0.00 WAT1 ATOM 2420 H2 TIP3 349 -13.097 -8.248 9.541 0.00 0.00 WAT1 ATOM 2421 OH2 TIP3 350 -14.758 -7.932 4.509 0.00 0.00 WAT1 ATOM 2422 H1 TIP3 350 -14.154 -7.384 4.008 0.00 0.00 WAT1 ATOM 2423 H2 TIP3 350 -15.627 -7.612 4.269 0.00 0.00 WAT1 ATOM 2424 OH2 TIP3 351 -13.031 -6.793 2.843 0.00 0.00 WAT1 ATOM 2425 H1 TIP3 351 -12.419 -7.307 2.316 0.00 0.00 WAT1 ATOM 2426 H2 TIP3 351 -12.648 -5.915 2.866 0.00 0.00 WAT1 ATOM 2427 OH2 TIP3 352 -16.084 -7.422 -0.626 0.00 0.00 WAT1 ATOM 2428 H1 TIP3 352 -16.787 -6.808 -0.836 0.00 0.00 WAT1 ATOM 2429 H2 TIP3 352 -16.529 -8.260 -0.495 0.00 0.00 WAT1 ATOM 2430 OH2 TIP3 353 -21.850 -5.398 -1.078 0.00 0.00 WAT1 ATOM 2431 H1 TIP3 353 -21.672 -6.044 -0.395 0.00 0.00 WAT1 ATOM 2432 H2 TIP3 353 -21.904 -4.564 -0.611 0.00 0.00 WAT1 ATOM 2433 OH2 TIP3 354 -19.972 9.551 -2.683 0.00 0.00 WAT1 ATOM 2434 H1 TIP3 354 -19.106 9.917 -2.861 0.00 0.00 WAT1 ATOM 2435 H2 TIP3 354 -20.219 9.111 -3.496 0.00 0.00 WAT1 ATOM 2436 OH2 TIP3 355 -13.263 9.114 -0.003 0.00 0.00 WAT1 ATOM 2437 H1 TIP3 355 -13.457 8.366 -0.568 0.00 0.00 WAT1 ATOM 2438 H2 TIP3 355 -13.302 9.872 -0.587 0.00 0.00 WAT1 ATOM 2439 OH2 TIP3 356 -13.799 -7.883 16.935 0.00 0.00 WAT1 ATOM 2440 H1 TIP3 356 -14.698 -7.744 17.230 0.00 0.00 WAT1 ATOM 2441 H2 TIP3 356 -13.547 -7.052 16.533 0.00 0.00 WAT1 ATOM 2442 OH2 TIP3 357 -12.295 -5.655 15.773 0.00 0.00 WAT1 ATOM 2443 H1 TIP3 357 -11.882 -6.376 15.297 0.00 0.00 WAT1 ATOM 2444 H2 TIP3 357 -11.613 -4.985 15.831 0.00 0.00 WAT1 ATOM 2445 OH2 TIP3 358 -20.109 11.639 -9.575 0.00 0.00 WAT1 ATOM 2446 H1 TIP3 358 -19.689 11.224 -8.822 0.00 0.00 WAT1 ATOM 2447 H2 TIP3 358 -21.042 11.461 -9.458 0.00 0.00 WAT1 ATOM 2448 OH2 TIP3 359 -14.386 14.443 -8.386 0.00 0.00 WAT1 ATOM 2449 H1 TIP3 359 -15.302 14.706 -8.474 0.00 0.00 WAT1 ATOM 2450 H2 TIP3 359 -14.050 14.440 -9.283 0.00 0.00 WAT1 ATOM 2451 OH2 TIP3 360 -17.125 13.404 -5.041 0.00 0.00 WAT1 ATOM 2452 H1 TIP3 360 -17.222 12.452 -5.047 0.00 0.00 WAT1 ATOM 2453 H2 TIP3 360 -17.447 13.673 -4.180 0.00 0.00 WAT1 ATOM 2454 OH2 TIP3 361 -22.517 10.615 -7.014 0.00 0.00 WAT1 ATOM 2455 H1 TIP3 361 -21.805 9.975 -7.028 0.00 0.00 WAT1 ATOM 2456 H2 TIP3 361 -22.618 10.882 -7.928 0.00 0.00 WAT1 ATOM 2457 OH2 TIP3 362 -11.851 11.169 -4.950 0.00 0.00 WAT1 ATOM 2458 H1 TIP3 362 -11.501 10.515 -5.556 0.00 0.00 WAT1 ATOM 2459 H2 TIP3 362 -11.704 12.006 -5.390 0.00 0.00 WAT1 ATOM 2460 OH2 TIP3 363 -12.331 13.278 -6.601 0.00 0.00 WAT1 ATOM 2461 H1 TIP3 363 -13.248 13.549 -6.637 0.00 0.00 WAT1 ATOM 2462 H2 TIP3 363 -12.208 12.743 -7.385 0.00 0.00 WAT1 ATOM 2463 OH2 TIP3 364 -13.330 11.368 -8.782 0.00 0.00 WAT1 ATOM 2464 H1 TIP3 364 -14.143 11.693 -9.170 0.00 0.00 WAT1 ATOM 2465 H2 TIP3 364 -13.097 10.608 -9.315 0.00 0.00 WAT1 ATOM 2466 OH2 TIP3 365 -13.799 10.973 -1.921 0.00 0.00 WAT1 ATOM 2467 H1 TIP3 365 -14.698 11.112 -1.626 0.00 0.00 WAT1 ATOM 2468 H2 TIP3 365 -13.547 11.804 -2.323 0.00 0.00 WAT1 ATOM 2469 OH2 TIP3 366 -17.714 14.734 -2.815 0.00 0.00 WAT1 ATOM 2470 H1 TIP3 366 -18.652 14.846 -2.966 0.00 0.00 WAT1 ATOM 2471 H2 TIP3 366 -17.417 15.591 -2.509 0.00 0.00 WAT1 ATOM 2472 OH2 TIP3 367 -14.407 14.316 -4.626 0.00 0.00 WAT1 ATOM 2473 H1 TIP3 367 -13.797 13.944 -3.989 0.00 0.00 WAT1 ATOM 2474 H2 TIP3 367 -15.244 13.894 -4.430 0.00 0.00 WAT1 ATOM 2475 OH2 TIP3 368 -14.161 13.134 0.389 0.00 0.00 WAT1 ATOM 2476 H1 TIP3 368 -13.979 12.685 1.214 0.00 0.00 WAT1 ATOM 2477 H2 TIP3 368 -14.761 12.549 -0.075 0.00 0.00 WAT1 ATOM 2478 OH2 TIP3 369 -12.295 13.201 -3.083 0.00 0.00 WAT1 ATOM 2479 H1 TIP3 369 -11.882 12.480 -3.559 0.00 0.00 WAT1 ATOM 2480 H2 TIP3 369 -11.613 13.871 -3.025 0.00 0.00 WAT1 ATOM 2481 OH2 TIP3 370 -16.084 11.434 -0.626 0.00 0.00 WAT1 ATOM 2482 H1 TIP3 370 -16.787 12.048 -0.836 0.00 0.00 WAT1 ATOM 2483 H2 TIP3 370 -16.529 10.596 -0.495 0.00 0.00 WAT1 ATOM 2484 OH2 TIP3 371 -0.706 -36.706 5.596 0.00 0.00 WAT1 ATOM 2485 H1 TIP3 371 -0.744 -37.352 6.301 0.00 0.00 WAT1 ATOM 2486 H2 TIP3 371 -1.029 -37.172 4.825 0.00 0.00 WAT1 ATOM 2487 OH2 TIP3 372 3.000 -33.767 3.898 0.00 0.00 WAT1 ATOM 2488 H1 TIP3 372 2.559 -34.487 4.348 0.00 0.00 WAT1 ATOM 2489 H2 TIP3 372 2.987 -33.046 4.528 0.00 0.00 WAT1 ATOM 2490 OH2 TIP3 373 -10.804 -38.981 1.117 0.00 0.00 WAT1 ATOM 2491 H1 TIP3 373 -11.252 -38.135 1.099 0.00 0.00 WAT1 ATOM 2492 H2 TIP3 373 -11.365 -39.561 0.602 0.00 0.00 WAT1 ATOM 2493 OH2 TIP3 374 -2.317 -34.273 6.002 0.00 0.00 WAT1 ATOM 2494 H1 TIP3 374 -2.013 -34.959 5.408 0.00 0.00 WAT1 ATOM 2495 H2 TIP3 374 -1.595 -34.155 6.620 0.00 0.00 WAT1 ATOM 2496 OH2 TIP3 375 -9.401 -39.381 4.364 0.00 0.00 WAT1 ATOM 2497 H1 TIP3 375 -8.747 -39.931 4.796 0.00 0.00 WAT1 ATOM 2498 H2 TIP3 375 -9.377 -39.655 3.448 0.00 0.00 WAT1 ATOM 2499 OH2 TIP3 376 -4.245 -37.831 3.580 0.00 0.00 WAT1 ATOM 2500 H1 TIP3 376 -3.629 -38.357 4.089 0.00 0.00 WAT1 ATOM 2501 H2 TIP3 376 -4.831 -38.471 3.176 0.00 0.00 WAT1 ATOM 2502 OH2 TIP3 377 0.158 -33.360 1.220 0.00 0.00 WAT1 ATOM 2503 H1 TIP3 377 -0.138 -33.682 0.369 0.00 0.00 WAT1 ATOM 2504 H2 TIP3 377 -0.166 -32.460 1.262 0.00 0.00 WAT1 ATOM 2505 OH2 TIP3 378 -4.642 -35.184 7.964 0.00 0.00 WAT1 ATOM 2506 H1 TIP3 378 -5.382 -34.586 8.067 0.00 0.00 WAT1 ATOM 2507 H2 TIP3 378 -3.928 -34.630 7.648 0.00 0.00 WAT1 ATOM 2508 OH2 TIP3 379 -7.617 -40.968 5.629 0.00 0.00 WAT1 ATOM 2509 H1 TIP3 379 -7.004 -40.335 6.002 0.00 0.00 WAT1 ATOM 2510 H2 TIP3 379 -7.105 -41.440 4.972 0.00 0.00 WAT1 ATOM 2511 OH2 TIP3 380 -10.113 -33.549 -0.467 0.00 0.00 WAT1 ATOM 2512 H1 TIP3 380 -10.385 -33.320 -1.356 0.00 0.00 WAT1 ATOM 2513 H2 TIP3 380 -10.068 -32.711 -0.007 0.00 0.00 WAT1 ATOM 2514 OH2 TIP3 381 1.764 -30.146 2.871 0.00 0.00 WAT1 ATOM 2515 H1 TIP3 381 2.189 -30.853 2.386 0.00 0.00 WAT1 ATOM 2516 H2 TIP3 381 2.081 -29.345 2.454 0.00 0.00 WAT1 ATOM 2517 OH2 TIP3 382 2.923 -32.245 1.380 0.00 0.00 WAT1 ATOM 2518 H1 TIP3 382 2.666 -32.935 0.768 0.00 0.00 WAT1 ATOM 2519 H2 TIP3 382 2.994 -32.688 2.225 0.00 0.00 WAT1 ATOM 2520 OH2 TIP3 383 4.609 -33.679 9.857 0.00 0.00 WAT1 ATOM 2521 H1 TIP3 383 4.749 -34.270 9.118 0.00 0.00 WAT1 ATOM 2522 H2 TIP3 383 4.777 -32.806 9.501 0.00 0.00 WAT1 ATOM 2523 OH2 TIP3 384 -5.867 -35.877 2.464 0.00 0.00 WAT1 ATOM 2524 H1 TIP3 384 -6.197 -36.247 1.645 0.00 0.00 WAT1 ATOM 2525 H2 TIP3 384 -5.279 -36.547 2.810 0.00 0.00 WAT1 ATOM 2526 OH2 TIP3 385 -4.500 -32.449 5.145 0.00 0.00 WAT1 ATOM 2527 H1 TIP3 385 -4.595 -33.027 4.388 0.00 0.00 WAT1 ATOM 2528 H2 TIP3 385 -3.771 -32.820 5.641 0.00 0.00 WAT1 ATOM 2529 OH2 TIP3 386 -5.500 -37.108 6.097 0.00 0.00 WAT1 ATOM 2530 H1 TIP3 386 -4.935 -36.987 5.334 0.00 0.00 WAT1 ATOM 2531 H2 TIP3 386 -5.181 -36.471 6.736 0.00 0.00 WAT1 ATOM 2532 OH2 TIP3 387 -7.700 -36.511 10.043 0.00 0.00 WAT1 ATOM 2533 H1 TIP3 387 -7.630 -35.860 10.741 0.00 0.00 WAT1 ATOM 2534 H2 TIP3 387 -8.591 -36.408 9.708 0.00 0.00 WAT1 ATOM 2535 OH2 TIP3 388 -0.915 -30.608 1.701 0.00 0.00 WAT1 ATOM 2536 H1 TIP3 388 -0.441 -30.313 2.479 0.00 0.00 WAT1 ATOM 2537 H2 TIP3 388 -1.478 -29.870 1.468 0.00 0.00 WAT1 ATOM 2538 OH2 TIP3 389 -6.877 -36.807 0.053 0.00 0.00 WAT1 ATOM 2539 H1 TIP3 389 -7.169 -36.039 -0.438 0.00 0.00 WAT1 ATOM 2540 H2 TIP3 389 -7.551 -37.467 -0.110 0.00 0.00 WAT1 ATOM 2541 OH2 TIP3 390 7.164 -30.998 11.434 0.00 0.00 WAT1 ATOM 2542 H1 TIP3 390 7.115 -31.953 11.397 0.00 0.00 WAT1 ATOM 2543 H2 TIP3 390 6.338 -30.730 11.836 0.00 0.00 WAT1 ATOM 2544 OH2 TIP3 391 -1.443 -27.652 0.116 0.00 0.00 WAT1 ATOM 2545 H1 TIP3 391 -1.518 -27.773 -0.830 0.00 0.00 WAT1 ATOM 2546 H2 TIP3 391 -1.410 -26.702 0.235 0.00 0.00 WAT1 ATOM 2547 OH2 TIP3 392 1.328 -28.572 -0.132 0.00 0.00 WAT1 ATOM 2548 H1 TIP3 392 0.393 -28.472 0.047 0.00 0.00 WAT1 ATOM 2549 H2 TIP3 392 1.608 -29.281 0.446 0.00 0.00 WAT1 ATOM 2550 OH2 TIP3 393 -5.825 -39.685 7.002 0.00 0.00 WAT1 ATOM 2551 H1 TIP3 393 -6.467 -39.726 7.711 0.00 0.00 WAT1 ATOM 2552 H2 TIP3 393 -5.788 -38.759 6.764 0.00 0.00 WAT1 ATOM 2553 OH2 TIP3 394 -5.828 -39.464 1.914 0.00 0.00 WAT1 ATOM 2554 H1 TIP3 394 -6.721 -39.805 1.855 0.00 0.00 WAT1 ATOM 2555 H2 TIP3 394 -5.377 -39.841 1.158 0.00 0.00 WAT1 ATOM 2556 OH2 TIP3 395 -1.190 -38.873 12.219 0.00 0.00 WAT1 ATOM 2557 H1 TIP3 395 -1.753 -39.577 12.539 0.00 0.00 WAT1 ATOM 2558 H2 TIP3 395 -0.364 -38.993 12.686 0.00 0.00 WAT1 ATOM 2559 OH2 TIP3 396 -8.075 -39.365 8.869 0.00 0.00 WAT1 ATOM 2560 H1 TIP3 396 -8.113 -38.965 9.737 0.00 0.00 WAT1 ATOM 2561 H2 TIP3 396 -8.566 -40.182 8.959 0.00 0.00 WAT1 ATOM 2562 OH2 TIP3 397 -0.024 -37.964 8.216 0.00 0.00 WAT1 ATOM 2563 H1 TIP3 397 0.300 -38.595 7.573 0.00 0.00 WAT1 ATOM 2564 H2 TIP3 397 -0.464 -38.499 8.877 0.00 0.00 WAT1 ATOM 2565 OH2 TIP3 398 -8.418 -40.408 1.827 0.00 0.00 WAT1 ATOM 2566 H1 TIP3 398 -9.307 -40.308 1.487 0.00 0.00 WAT1 ATOM 2567 H2 TIP3 398 -8.122 -41.250 1.481 0.00 0.00 WAT1 ATOM 2568 OH2 TIP3 399 4.394 -35.515 7.772 0.00 0.00 WAT1 ATOM 2569 H1 TIP3 399 5.036 -35.058 7.229 0.00 0.00 WAT1 ATOM 2570 H2 TIP3 399 3.564 -35.402 7.310 0.00 0.00 WAT1 ATOM 2571 OH2 TIP3 400 -1.236 -34.464 10.223 0.00 0.00 WAT1 ATOM 2572 H1 TIP3 400 -1.582 -34.845 11.029 0.00 0.00 WAT1 ATOM 2573 H2 TIP3 400 -1.436 -33.530 10.294 0.00 0.00 WAT1 ATOM 2574 OH2 TIP3 401 -3.606 -37.375 12.283 0.00 0.00 WAT1 ATOM 2575 H1 TIP3 401 -3.902 -37.541 11.388 0.00 0.00 WAT1 ATOM 2576 H2 TIP3 401 -2.675 -37.595 12.273 0.00 0.00 WAT1 ATOM 2577 OH2 TIP3 402 6.709 -33.957 11.377 0.00 0.00 WAT1 ATOM 2578 H1 TIP3 402 5.857 -33.719 11.010 0.00 0.00 WAT1 ATOM 2579 H2 TIP3 402 7.299 -33.974 10.624 0.00 0.00 WAT1 ATOM 2580 OH2 TIP3 403 5.041 -30.971 -0.995 0.00 0.00 WAT1 ATOM 2581 H1 TIP3 403 4.668 -31.797 -0.685 0.00 0.00 WAT1 ATOM 2582 H2 TIP3 403 5.318 -31.154 -1.892 0.00 0.00 WAT1 ATOM 2583 OH2 TIP3 404 2.201 -36.163 6.027 0.00 0.00 WAT1 ATOM 2584 H1 TIP3 404 1.273 -36.395 6.000 0.00 0.00 WAT1 ATOM 2585 H2 TIP3 404 2.652 -36.940 5.697 0.00 0.00 WAT1 ATOM 2586 OH2 TIP3 405 -5.256 -31.835 2.160 0.00 0.00 WAT1 ATOM 2587 H1 TIP3 405 -4.729 -31.062 1.959 0.00 0.00 WAT1 ATOM 2588 H2 TIP3 405 -6.136 -31.610 1.858 0.00 0.00 WAT1 ATOM 2589 OH2 TIP3 406 -3.829 -34.172 1.736 0.00 0.00 WAT1 ATOM 2590 H1 TIP3 406 -4.070 -33.247 1.778 0.00 0.00 WAT1 ATOM 2591 H2 TIP3 406 -4.569 -34.631 2.132 0.00 0.00 WAT1 ATOM 2592 OH2 TIP3 407 -5.145 -29.150 1.281 0.00 0.00 WAT1 ATOM 2593 H1 TIP3 407 -6.095 -29.045 1.333 0.00 0.00 WAT1 ATOM 2594 H2 TIP3 407 -4.794 -28.330 1.626 0.00 0.00 WAT1 ATOM 2595 OH2 TIP3 408 -8.989 -42.139 9.628 0.00 0.00 WAT1 ATOM 2596 H1 TIP3 408 -9.882 -41.800 9.561 0.00 0.00 WAT1 ATOM 2597 H2 TIP3 408 -9.088 -42.994 10.046 0.00 0.00 WAT1 ATOM 2598 OH2 TIP3 409 -8.086 -35.060 -1.761 0.00 0.00 WAT1 ATOM 2599 H1 TIP3 409 -8.772 -34.708 -1.194 0.00 0.00 WAT1 ATOM 2600 H2 TIP3 409 -7.563 -34.297 -2.007 0.00 0.00 WAT1 ATOM 2601 OH2 TIP3 410 -4.463 -29.572 -1.540 0.00 0.00 WAT1 ATOM 2602 H1 TIP3 410 -4.302 -28.772 -2.041 0.00 0.00 WAT1 ATOM 2603 H2 TIP3 410 -4.660 -29.265 -0.655 0.00 0.00 WAT1 ATOM 2604 OH2 TIP3 411 -9.416 -31.060 1.086 0.00 0.00 WAT1 ATOM 2605 H1 TIP3 411 -10.248 -30.587 1.113 0.00 0.00 WAT1 ATOM 2606 H2 TIP3 411 -8.870 -30.550 0.487 0.00 0.00 WAT1 ATOM 2607 OH2 TIP3 412 2.170 -34.751 10.186 0.00 0.00 WAT1 ATOM 2608 H1 TIP3 412 2.915 -34.163 10.066 0.00 0.00 WAT1 ATOM 2609 H2 TIP3 412 1.413 -34.169 10.249 0.00 0.00 WAT1 ATOM 2610 OH2 TIP3 413 -9.388 -37.437 12.790 0.00 0.00 WAT1 ATOM 2611 H1 TIP3 413 -8.980 -38.294 12.669 0.00 0.00 WAT1 ATOM 2612 H2 TIP3 413 -9.648 -37.422 13.711 0.00 0.00 WAT1 ATOM 2613 OH2 TIP3 414 -5.441 -38.428 10.164 0.00 0.00 WAT1 ATOM 2614 H1 TIP3 414 -6.059 -37.753 10.445 0.00 0.00 WAT1 ATOM 2615 H2 TIP3 414 -5.097 -38.107 9.331 0.00 0.00 WAT1 ATOM 2616 OH2 TIP3 415 -3.107 -37.264 8.979 0.00 0.00 WAT1 ATOM 2617 H1 TIP3 415 -2.356 -37.420 8.406 0.00 0.00 WAT1 ATOM 2618 H2 TIP3 415 -3.446 -36.412 8.703 0.00 0.00 WAT1 ATOM 2619 OH2 TIP3 416 1.309 -39.449 14.007 0.00 0.00 WAT1 ATOM 2620 H1 TIP3 416 1.501 -40.380 13.896 0.00 0.00 WAT1 ATOM 2621 H2 TIP3 416 2.166 -39.024 13.997 0.00 0.00 WAT1 ATOM 2622 OH2 TIP3 417 2.625 -36.660 12.085 0.00 0.00 WAT1 ATOM 2623 H1 TIP3 417 2.344 -35.951 11.507 0.00 0.00 WAT1 ATOM 2624 H2 TIP3 417 3.568 -36.733 11.934 0.00 0.00 WAT1 ATOM 2625 OH2 TIP3 418 4.889 -33.111 13.977 0.00 0.00 WAT1 ATOM 2626 H1 TIP3 418 4.023 -33.216 14.371 0.00 0.00 WAT1 ATOM 2627 H2 TIP3 418 5.265 -32.352 14.424 0.00 0.00 WAT1 ATOM 2628 OH2 TIP3 419 6.343 -34.016 6.263 0.00 0.00 WAT1 ATOM 2629 H1 TIP3 419 7.177 -34.394 5.982 0.00 0.00 WAT1 ATOM 2630 H2 TIP3 419 6.455 -33.073 6.144 0.00 0.00 WAT1 ATOM 2631 OH2 TIP3 420 5.227 -36.310 11.517 0.00 0.00 WAT1 ATOM 2632 H1 TIP3 420 5.810 -37.044 11.708 0.00 0.00 WAT1 ATOM 2633 H2 TIP3 420 5.791 -35.538 11.563 0.00 0.00 WAT1 ATOM 2634 OH2 TIP3 421 -10.996 -40.931 12.029 0.00 0.00 WAT1 ATOM 2635 H1 TIP3 421 -10.077 -41.053 12.265 0.00 0.00 WAT1 ATOM 2636 H2 TIP3 421 -11.446 -41.681 12.418 0.00 0.00 WAT1 ATOM 2637 OH2 TIP3 422 -11.471 -39.620 5.989 0.00 0.00 WAT1 ATOM 2638 H1 TIP3 422 -10.979 -39.841 5.199 0.00 0.00 WAT1 ATOM 2639 H2 TIP3 422 -11.109 -38.779 6.270 0.00 0.00 WAT1 ATOM 2640 OH2 TIP3 423 -9.980 -29.371 -1.080 0.00 0.00 WAT1 ATOM 2641 H1 TIP3 423 -10.665 -29.409 -1.748 0.00 0.00 WAT1 ATOM 2642 H2 TIP3 423 -9.977 -28.458 -0.792 0.00 0.00 WAT1 ATOM 2643 OH2 TIP3 424 5.593 -28.598 -0.003 0.00 0.00 WAT1 ATOM 2644 H1 TIP3 424 5.399 -29.346 -0.568 0.00 0.00 WAT1 ATOM 2645 H2 TIP3 424 5.554 -27.840 -0.587 0.00 0.00 WAT1 ATOM 2646 OH2 TIP3 425 0.361 -35.961 21.033 0.00 0.00 WAT1 ATOM 2647 H1 TIP3 425 0.450 -35.017 20.901 0.00 0.00 WAT1 ATOM 2648 H2 TIP3 425 -0.278 -36.236 20.375 0.00 0.00 WAT1 ATOM 2649 OH2 TIP3 426 -8.338 -37.091 26.045 0.00 0.00 WAT1 ATOM 2650 H1 TIP3 426 -8.296 -37.717 26.769 0.00 0.00 WAT1 ATOM 2651 H2 TIP3 426 -7.635 -36.468 26.227 0.00 0.00 WAT1 ATOM 2652 OH2 TIP3 427 3.000 -33.767 22.754 0.00 0.00 WAT1 ATOM 2653 H1 TIP3 427 2.559 -34.487 23.204 0.00 0.00 WAT1 ATOM 2654 H2 TIP3 427 2.987 -33.046 23.384 0.00 0.00 WAT1 ATOM 2655 OH2 TIP3 428 -10.094 -36.819 22.099 0.00 0.00 WAT1 ATOM 2656 H1 TIP3 428 -9.880 -37.589 22.626 0.00 0.00 WAT1 ATOM 2657 H2 TIP3 428 -9.356 -36.730 21.496 0.00 0.00 WAT1 ATOM 2658 OH2 TIP3 429 0.824 -39.879 25.186 0.00 0.00 WAT1 ATOM 2659 H1 TIP3 429 0.967 -40.826 25.206 0.00 0.00 WAT1 ATOM 2660 H2 TIP3 429 0.718 -39.672 24.257 0.00 0.00 WAT1 ATOM 2661 OH2 TIP3 430 -9.401 -39.381 23.220 0.00 0.00 WAT1 ATOM 2662 H1 TIP3 430 -8.747 -39.931 23.652 0.00 0.00 WAT1 ATOM 2663 H2 TIP3 430 -9.377 -39.655 22.304 0.00 0.00 WAT1 ATOM 2664 OH2 TIP3 431 -4.245 -37.831 22.436 0.00 0.00 WAT1 ATOM 2665 H1 TIP3 431 -3.629 -38.357 22.945 0.00 0.00 WAT1 ATOM 2666 H2 TIP3 431 -4.831 -38.471 22.032 0.00 0.00 WAT1 ATOM 2667 OH2 TIP3 432 -10.113 -33.549 18.389 0.00 0.00 WAT1 ATOM 2668 H1 TIP3 432 -10.385 -33.320 17.500 0.00 0.00 WAT1 ATOM 2669 H2 TIP3 432 -10.068 -32.711 18.849 0.00 0.00 WAT1 ATOM 2670 OH2 TIP3 433 4.609 -33.679 28.713 0.00 0.00 WAT1 ATOM 2671 H1 TIP3 433 4.749 -34.270 27.974 0.00 0.00 WAT1 ATOM 2672 H2 TIP3 433 4.777 -32.806 28.357 0.00 0.00 WAT1 ATOM 2673 OH2 TIP3 434 -0.918 -36.717 18.485 0.00 0.00 WAT1 ATOM 2674 H1 TIP3 434 -1.630 -36.182 18.134 0.00 0.00 WAT1 ATOM 2675 H2 TIP3 434 -0.227 -36.661 17.825 0.00 0.00 WAT1 ATOM 2676 OH2 TIP3 435 -0.864 -38.259 15.524 0.00 0.00 WAT1 ATOM 2677 H1 TIP3 435 -0.163 -38.237 16.175 0.00 0.00 WAT1 ATOM 2678 H2 TIP3 435 -0.562 -38.887 14.868 0.00 0.00 WAT1 ATOM 2679 OH2 TIP3 436 6.451 -37.339 26.779 0.00 0.00 WAT1 ATOM 2680 H1 TIP3 436 5.799 -36.644 26.868 0.00 0.00 WAT1 ATOM 2681 H2 TIP3 436 6.916 -37.129 25.969 0.00 0.00 WAT1 ATOM 2682 OH2 TIP3 437 2.488 -36.507 19.437 0.00 0.00 WAT1 ATOM 2683 H1 TIP3 437 1.756 -36.279 20.010 0.00 0.00 WAT1 ATOM 2684 H2 TIP3 437 2.935 -37.221 19.892 0.00 0.00 WAT1 ATOM 2685 OH2 TIP3 438 1.359 -37.345 17.122 0.00 0.00 WAT1 ATOM 2686 H1 TIP3 438 1.938 -37.195 17.869 0.00 0.00 WAT1 ATOM 2687 H2 TIP3 438 1.773 -36.874 16.399 0.00 0.00 WAT1 ATOM 2688 OH2 TIP3 439 -7.700 -36.511 28.899 0.00 0.00 WAT1 ATOM 2689 H1 TIP3 439 -7.630 -35.860 29.597 0.00 0.00 WAT1 ATOM 2690 H2 TIP3 439 -8.591 -36.408 28.564 0.00 0.00 WAT1 ATOM 2691 OH2 TIP3 440 -6.877 -36.807 18.909 0.00 0.00 WAT1 ATOM 2692 H1 TIP3 440 -7.169 -36.039 18.418 0.00 0.00 WAT1 ATOM 2693 H2 TIP3 440 -7.551 -37.467 18.746 0.00 0.00 WAT1 ATOM 2694 OH2 TIP3 441 -10.784 -34.444 27.724 0.00 0.00 WAT1 ATOM 2695 H1 TIP3 441 -11.285 -34.472 26.909 0.00 0.00 WAT1 ATOM 2696 H2 TIP3 441 -10.778 -35.350 28.034 0.00 0.00 WAT1 ATOM 2697 OH2 TIP3 442 7.164 -30.998 30.290 0.00 0.00 WAT1 ATOM 2698 H1 TIP3 442 7.115 -31.953 30.253 0.00 0.00 WAT1 ATOM 2699 H2 TIP3 442 6.338 -30.730 30.692 0.00 0.00 WAT1 ATOM 2700 OH2 TIP3 443 2.836 -36.312 14.752 0.00 0.00 WAT1 ATOM 2701 H1 TIP3 443 2.878 -36.535 13.822 0.00 0.00 WAT1 ATOM 2702 H2 TIP3 443 3.685 -35.914 14.942 0.00 0.00 WAT1 ATOM 2703 OH2 TIP3 444 -5.825 -39.685 25.858 0.00 0.00 WAT1 ATOM 2704 H1 TIP3 444 -6.467 -39.726 26.567 0.00 0.00 WAT1 ATOM 2705 H2 TIP3 444 -5.788 -38.759 25.620 0.00 0.00 WAT1 ATOM 2706 OH2 TIP3 445 -5.828 -39.464 20.770 0.00 0.00 WAT1 ATOM 2707 H1 TIP3 445 -6.721 -39.805 20.711 0.00 0.00 WAT1 ATOM 2708 H2 TIP3 445 -5.377 -39.841 20.014 0.00 0.00 WAT1 ATOM 2709 OH2 TIP3 446 -0.292 -39.048 19.587 0.00 0.00 WAT1 ATOM 2710 H1 TIP3 446 -0.701 -38.233 19.295 0.00 0.00 WAT1 ATOM 2711 H2 TIP3 446 0.428 -39.188 18.972 0.00 0.00 WAT1 ATOM 2712 OH2 TIP3 447 0.712 -39.602 22.401 0.00 0.00 WAT1 ATOM 2713 H1 TIP3 447 0.517 -38.997 21.686 0.00 0.00 WAT1 ATOM 2714 H2 TIP3 447 0.894 -40.436 21.966 0.00 0.00 WAT1 ATOM 2715 OH2 TIP3 448 -8.075 -39.365 27.725 0.00 0.00 WAT1 ATOM 2716 H1 TIP3 448 -8.113 -38.965 28.593 0.00 0.00 WAT1 ATOM 2717 H2 TIP3 448 -8.566 -40.182 27.815 0.00 0.00 WAT1 ATOM 2718 OH2 TIP3 449 -0.024 -37.964 27.072 0.00 0.00 WAT1 ATOM 2719 H1 TIP3 449 0.300 -38.595 26.429 0.00 0.00 WAT1 ATOM 2720 H2 TIP3 449 -0.464 -38.499 27.733 0.00 0.00 WAT1 ATOM 2721 OH2 TIP3 450 -6.091 -39.213 15.906 0.00 0.00 WAT1 ATOM 2722 H1 TIP3 450 -6.633 -39.593 15.215 0.00 0.00 WAT1 ATOM 2723 H2 TIP3 450 -5.257 -39.019 15.477 0.00 0.00 WAT1 ATOM 2724 OH2 TIP3 451 -7.956 -34.656 31.005 0.00 0.00 WAT1 ATOM 2725 H1 TIP3 451 -7.223 -34.402 31.566 0.00 0.00 WAT1 ATOM 2726 H2 TIP3 451 -8.736 -34.452 31.520 0.00 0.00 WAT1 ATOM 2727 OH2 TIP3 452 -1.926 -39.249 23.743 0.00 0.00 WAT1 ATOM 2728 H1 TIP3 452 -1.362 -39.796 23.196 0.00 0.00 WAT1 ATOM 2729 H2 TIP3 452 -2.074 -39.771 24.532 0.00 0.00 WAT1 ATOM 2730 OH2 TIP3 453 -3.300 -40.861 26.157 0.00 0.00 WAT1 ATOM 2731 H1 TIP3 453 -4.135 -40.407 26.267 0.00 0.00 WAT1 ATOM 2732 H2 TIP3 453 -2.776 -40.585 26.909 0.00 0.00 WAT1 ATOM 2733 OH2 TIP3 454 4.394 -35.515 26.628 0.00 0.00 WAT1 ATOM 2734 H1 TIP3 454 5.036 -35.058 26.085 0.00 0.00 WAT1 ATOM 2735 H2 TIP3 454 3.564 -35.402 26.166 0.00 0.00 WAT1 ATOM 2736 OH2 TIP3 455 -1.236 -34.464 29.079 0.00 0.00 WAT1 ATOM 2737 H1 TIP3 455 -1.582 -34.845 29.885 0.00 0.00 WAT1 ATOM 2738 H2 TIP3 455 -1.436 -33.530 29.150 0.00 0.00 WAT1 ATOM 2739 OH2 TIP3 456 -10.623 -36.892 28.926 0.00 0.00 WAT1 ATOM 2740 H1 TIP3 456 -10.400 -37.310 29.758 0.00 0.00 WAT1 ATOM 2741 H2 TIP3 456 -11.225 -37.505 28.504 0.00 0.00 WAT1 ATOM 2742 OH2 TIP3 457 -3.606 -37.375 31.139 0.00 0.00 WAT1 ATOM 2743 H1 TIP3 457 -3.902 -37.541 30.244 0.00 0.00 WAT1 ATOM 2744 H2 TIP3 457 -2.675 -37.595 31.129 0.00 0.00 WAT1 ATOM 2745 OH2 TIP3 458 1.014 -32.002 29.029 0.00 0.00 WAT1 ATOM 2746 H1 TIP3 458 0.113 -31.819 28.761 0.00 0.00 WAT1 ATOM 2747 H2 TIP3 458 1.048 -31.743 29.950 0.00 0.00 WAT1 ATOM 2748 OH2 TIP3 459 6.709 -33.957 30.233 0.00 0.00 WAT1 ATOM 2749 H1 TIP3 459 5.857 -33.719 29.866 0.00 0.00 WAT1 ATOM 2750 H2 TIP3 459 7.299 -33.974 29.480 0.00 0.00 WAT1 ATOM 2751 OH2 TIP3 460 2.201 -36.163 24.883 0.00 0.00 WAT1 ATOM 2752 H1 TIP3 460 1.273 -36.395 24.856 0.00 0.00 WAT1 ATOM 2753 H2 TIP3 460 2.652 -36.940 24.553 0.00 0.00 WAT1 ATOM 2754 OH2 TIP3 461 -9.501 -36.973 15.603 0.00 0.00 WAT1 ATOM 2755 H1 TIP3 461 -8.885 -36.346 15.982 0.00 0.00 WAT1 ATOM 2756 H2 TIP3 461 -10.363 -36.657 15.874 0.00 0.00 WAT1 ATOM 2757 OH2 TIP3 462 0.230 -33.924 26.608 0.00 0.00 WAT1 ATOM 2758 H1 TIP3 462 -0.196 -34.151 27.434 0.00 0.00 WAT1 ATOM 2759 H2 TIP3 462 0.811 -34.662 26.425 0.00 0.00 WAT1 ATOM 2760 OH2 TIP3 463 3.299 -34.322 17.908 0.00 0.00 WAT1 ATOM 2761 H1 TIP3 463 3.022 -35.050 18.464 0.00 0.00 WAT1 ATOM 2762 H2 TIP3 463 4.226 -34.203 18.114 0.00 0.00 WAT1 ATOM 2763 OH2 TIP3 464 3.072 -38.374 23.422 0.00 0.00 WAT1 ATOM 2764 H1 TIP3 464 2.275 -38.789 23.093 0.00 0.00 WAT1 ATOM 2765 H2 TIP3 464 3.517 -39.065 23.913 0.00 0.00 WAT1 ATOM 2766 OH2 TIP3 465 -9.154 -39.782 15.108 0.00 0.00 WAT1 ATOM 2767 H1 TIP3 465 -9.199 -38.843 15.287 0.00 0.00 WAT1 ATOM 2768 H2 TIP3 465 -10.042 -40.018 14.838 0.00 0.00 WAT1 ATOM 2769 OH2 TIP3 466 1.047 -31.148 31.621 0.00 0.00 WAT1 ATOM 2770 H1 TIP3 466 0.696 -32.004 31.864 0.00 0.00 WAT1 ATOM 2771 H2 TIP3 466 1.773 -31.005 32.228 0.00 0.00 WAT1 ATOM 2772 OH2 TIP3 467 -10.220 -34.637 32.226 0.00 0.00 WAT1 ATOM 2773 H1 TIP3 467 -10.076 -35.539 31.940 0.00 0.00 WAT1 ATOM 2774 H2 TIP3 467 -10.993 -34.351 31.738 0.00 0.00 WAT1 ATOM 2775 OH2 TIP3 468 -3.565 -34.667 31.659 0.00 0.00 WAT1 ATOM 2776 H1 TIP3 468 -3.893 -34.396 30.801 0.00 0.00 WAT1 ATOM 2777 H2 TIP3 468 -3.413 -35.608 31.571 0.00 0.00 WAT1 ATOM 2778 OH2 TIP3 469 2.170 -34.751 29.042 0.00 0.00 WAT1 ATOM 2779 H1 TIP3 469 2.915 -34.163 28.922 0.00 0.00 WAT1 ATOM 2780 H2 TIP3 469 1.413 -34.169 29.105 0.00 0.00 WAT1 ATOM 2781 OH2 TIP3 470 -9.388 -37.437 31.646 0.00 0.00 WAT1 ATOM 2782 H1 TIP3 470 -8.980 -38.294 31.525 0.00 0.00 WAT1 ATOM 2783 H2 TIP3 470 -9.648 -37.422 32.567 0.00 0.00 WAT1 ATOM 2784 OH2 TIP3 471 -4.730 -36.321 16.664 0.00 0.00 WAT1 ATOM 2785 H1 TIP3 471 -5.189 -36.805 17.350 0.00 0.00 WAT1 ATOM 2786 H2 TIP3 471 -4.475 -36.989 16.028 0.00 0.00 WAT1 ATOM 2787 OH2 TIP3 472 -5.441 -38.428 29.020 0.00 0.00 WAT1 ATOM 2788 H1 TIP3 472 -6.059 -37.753 29.301 0.00 0.00 WAT1 ATOM 2789 H2 TIP3 472 -5.097 -38.107 28.187 0.00 0.00 WAT1 ATOM 2790 OH2 TIP3 473 -3.659 -38.078 14.927 0.00 0.00 WAT1 ATOM 2791 H1 TIP3 473 -3.839 -38.232 13.999 0.00 0.00 WAT1 ATOM 2792 H2 TIP3 473 -2.708 -37.970 14.971 0.00 0.00 WAT1 ATOM 2793 OH2 TIP3 474 -0.421 -35.957 32.298 0.00 0.00 WAT1 ATOM 2794 H1 TIP3 474 0.532 -35.873 32.270 0.00 0.00 WAT1 ATOM 2795 H2 TIP3 474 -0.581 -36.668 32.917 0.00 0.00 WAT1 ATOM 2796 OH2 TIP3 475 5.731 -35.723 14.372 0.00 0.00 WAT1 ATOM 2797 H1 TIP3 475 5.458 -36.148 13.559 0.00 0.00 WAT1 ATOM 2798 H2 TIP3 475 5.771 -34.792 14.155 0.00 0.00 WAT1 ATOM 2799 OH2 TIP3 476 -3.107 -37.264 27.835 0.00 0.00 WAT1 ATOM 2800 H1 TIP3 476 -2.356 -37.420 27.262 0.00 0.00 WAT1 ATOM 2801 H2 TIP3 476 -3.446 -36.412 27.559 0.00 0.00 WAT1 ATOM 2802 OH2 TIP3 477 4.889 -33.111 32.833 0.00 0.00 WAT1 ATOM 2803 H1 TIP3 477 4.023 -33.216 33.227 0.00 0.00 WAT1 ATOM 2804 H2 TIP3 477 5.265 -32.352 33.280 0.00 0.00 WAT1 ATOM 2805 OH2 TIP3 478 6.190 -34.854 18.347 0.00 0.00 WAT1 ATOM 2806 H1 TIP3 478 7.040 -34.433 18.475 0.00 0.00 WAT1 ATOM 2807 H2 TIP3 478 6.195 -35.594 18.955 0.00 0.00 WAT1 ATOM 2808 OH2 TIP3 479 6.584 -36.801 20.171 0.00 0.00 WAT1 ATOM 2809 H1 TIP3 479 5.858 -37.280 20.569 0.00 0.00 WAT1 ATOM 2810 H2 TIP3 479 7.165 -36.595 20.903 0.00 0.00 WAT1 ATOM 2811 OH2 TIP3 480 6.343 -34.016 25.119 0.00 0.00 WAT1 ATOM 2812 H1 TIP3 480 7.177 -34.394 24.838 0.00 0.00 WAT1 ATOM 2813 H2 TIP3 480 6.455 -33.073 25.000 0.00 0.00 WAT1 ATOM 2814 OH2 TIP3 481 6.852 -36.900 16.562 0.00 0.00 WAT1 ATOM 2815 H1 TIP3 481 6.331 -36.543 15.843 0.00 0.00 WAT1 ATOM 2816 H2 TIP3 481 6.819 -36.225 17.240 0.00 0.00 WAT1 ATOM 2817 OH2 TIP3 482 -10.594 -36.202 24.744 0.00 0.00 WAT1 ATOM 2818 H1 TIP3 482 -10.410 -36.284 23.809 0.00 0.00 WAT1 ATOM 2819 H2 TIP3 482 -9.745 -36.326 25.168 0.00 0.00 WAT1 ATOM 2820 OH2 TIP3 483 -10.113 -33.549 37.245 0.00 0.00 WAT1 ATOM 2821 H1 TIP3 483 -10.385 -33.320 36.356 0.00 0.00 WAT1 ATOM 2822 H2 TIP3 483 -10.068 -32.711 37.705 0.00 0.00 WAT1 ATOM 2823 OH2 TIP3 484 6.247 -31.229 34.168 0.00 0.00 WAT1 ATOM 2824 H1 TIP3 484 6.320 -30.290 34.338 0.00 0.00 WAT1 ATOM 2825 H2 TIP3 484 7.152 -31.534 34.111 0.00 0.00 WAT1 ATOM 2826 OH2 TIP3 485 -11.033 -31.664 43.464 0.00 0.00 WAT1 ATOM 2827 H1 TIP3 485 -10.087 -31.808 43.445 0.00 0.00 WAT1 ATOM 2828 H2 TIP3 485 -11.146 -30.880 44.001 0.00 0.00 WAT1 ATOM 2829 OH2 TIP3 486 -1.443 -27.652 37.828 0.00 0.00 WAT1 ATOM 2830 H1 TIP3 486 -1.518 -27.773 36.882 0.00 0.00 WAT1 ATOM 2831 H2 TIP3 486 -1.410 -26.702 37.947 0.00 0.00 WAT1 ATOM 2832 OH2 TIP3 487 -7.789 -28.863 39.609 0.00 0.00 WAT1 ATOM 2833 H1 TIP3 487 -7.637 -29.211 40.488 0.00 0.00 WAT1 ATOM 2834 H2 TIP3 487 -8.640 -29.219 39.354 0.00 0.00 WAT1 ATOM 2835 OH2 TIP3 488 1.659 -28.498 34.831 0.00 0.00 WAT1 ATOM 2836 H1 TIP3 488 2.034 -29.242 34.360 0.00 0.00 WAT1 ATOM 2837 H2 TIP3 488 1.663 -28.768 35.749 0.00 0.00 WAT1 ATOM 2838 OH2 TIP3 489 1.328 -28.572 37.580 0.00 0.00 WAT1 ATOM 2839 H1 TIP3 489 0.393 -28.472 37.759 0.00 0.00 WAT1 ATOM 2840 H2 TIP3 489 1.608 -29.281 38.158 0.00 0.00 WAT1 ATOM 2841 OH2 TIP3 490 -0.630 -33.189 35.723 0.00 0.00 WAT1 ATOM 2842 H1 TIP3 490 -0.925 -32.363 36.105 0.00 0.00 WAT1 ATOM 2843 H2 TIP3 490 -1.333 -33.809 35.919 0.00 0.00 WAT1 ATOM 2844 OH2 TIP3 491 -5.145 -29.150 38.993 0.00 0.00 WAT1 ATOM 2845 H1 TIP3 491 -6.095 -29.045 39.045 0.00 0.00 WAT1 ATOM 2846 H2 TIP3 491 -4.794 -28.330 39.338 0.00 0.00 WAT1 ATOM 2847 OH2 TIP3 492 2.433 -32.995 34.538 0.00 0.00 WAT1 ATOM 2848 H1 TIP3 492 2.786 -33.375 35.342 0.00 0.00 WAT1 ATOM 2849 H2 TIP3 492 1.484 -33.088 34.624 0.00 0.00 WAT1 ATOM 2850 OH2 TIP3 493 6.937 -28.515 34.739 0.00 0.00 WAT1 ATOM 2851 H1 TIP3 493 7.680 -27.929 34.599 0.00 0.00 WAT1 ATOM 2852 H2 TIP3 493 6.242 -27.947 35.072 0.00 0.00 WAT1 ATOM 2853 OH2 TIP3 494 -3.476 -31.883 32.985 0.00 0.00 WAT1 ATOM 2854 H1 TIP3 494 -3.237 -32.631 32.437 0.00 0.00 WAT1 ATOM 2855 H2 TIP3 494 -3.745 -32.271 33.817 0.00 0.00 WAT1 ATOM 2856 OH2 TIP3 495 -4.539 -32.313 35.441 0.00 0.00 WAT1 ATOM 2857 H1 TIP3 495 -4.392 -32.833 36.231 0.00 0.00 WAT1 ATOM 2858 H2 TIP3 495 -4.542 -31.406 35.747 0.00 0.00 WAT1 ATOM 2859 OH2 TIP3 496 -1.801 -30.615 36.190 0.00 0.00 WAT1 ATOM 2860 H1 TIP3 496 -2.618 -30.118 36.243 0.00 0.00 WAT1 ATOM 2861 H2 TIP3 496 -1.272 -30.140 35.550 0.00 0.00 WAT1 ATOM 2862 OH2 TIP3 497 -4.463 -29.572 36.172 0.00 0.00 WAT1 ATOM 2863 H1 TIP3 497 -4.302 -28.772 35.671 0.00 0.00 WAT1 ATOM 2864 H2 TIP3 497 -4.660 -29.265 37.057 0.00 0.00 WAT1 ATOM 2865 OH2 TIP3 498 -7.470 -32.446 34.848 0.00 0.00 WAT1 ATOM 2866 H1 TIP3 498 -6.878 -31.747 35.124 0.00 0.00 WAT1 ATOM 2867 H2 TIP3 498 -7.011 -32.879 34.129 0.00 0.00 WAT1 ATOM 2868 OH2 TIP3 499 -9.416 -31.060 38.798 0.00 0.00 WAT1 ATOM 2869 H1 TIP3 499 -10.248 -30.587 38.825 0.00 0.00 WAT1 ATOM 2870 H2 TIP3 499 -8.870 -30.550 38.199 0.00 0.00 WAT1 ATOM 2871 OH2 TIP3 500 -1.438 -30.020 33.123 0.00 0.00 WAT1 ATOM 2872 H1 TIP3 500 -2.082 -30.651 33.445 0.00 0.00 WAT1 ATOM 2873 H2 TIP3 500 -0.676 -30.551 32.891 0.00 0.00 WAT1 ATOM 2874 OH2 TIP3 501 3.166 -30.203 33.357 0.00 0.00 WAT1 ATOM 2875 H1 TIP3 501 3.449 -30.997 33.810 0.00 0.00 WAT1 ATOM 2876 H2 TIP3 501 3.906 -29.970 32.796 0.00 0.00 WAT1 ATOM 2877 OH2 TIP3 502 -5.879 -34.293 33.214 0.00 0.00 WAT1 ATOM 2878 H1 TIP3 502 -5.815 -35.087 33.745 0.00 0.00 WAT1 ATOM 2879 H2 TIP3 502 -5.226 -34.412 32.525 0.00 0.00 WAT1 ATOM 2880 OH2 TIP3 503 -0.527 -33.246 32.950 0.00 0.00 WAT1 ATOM 2881 H1 TIP3 503 -0.795 -33.066 33.851 0.00 0.00 WAT1 ATOM 2882 H2 TIP3 503 -0.733 -34.172 32.819 0.00 0.00 WAT1 ATOM 2883 OH2 TIP3 504 -10.193 -32.751 34.267 0.00 0.00 WAT1 ATOM 2884 H1 TIP3 504 -9.279 -32.672 34.540 0.00 0.00 WAT1 ATOM 2885 H2 TIP3 504 -10.186 -33.438 33.600 0.00 0.00 WAT1 ATOM 2886 OH2 TIP3 505 -10.674 -29.277 41.149 0.00 0.00 WAT1 ATOM 2887 H1 TIP3 505 -11.008 -30.158 41.321 0.00 0.00 WAT1 ATOM 2888 H2 TIP3 505 -10.452 -28.932 42.013 0.00 0.00 WAT1 ATOM 2889 OH2 TIP3 506 -9.231 -28.595 43.461 0.00 0.00 WAT1 ATOM 2890 H1 TIP3 506 -9.250 -29.020 44.318 0.00 0.00 WAT1 ATOM 2891 H2 TIP3 506 -8.426 -28.913 43.052 0.00 0.00 WAT1 ATOM 2892 OH2 TIP3 507 -7.090 -29.885 42.116 0.00 0.00 WAT1 ATOM 2893 H1 TIP3 507 -7.309 -30.801 42.285 0.00 0.00 WAT1 ATOM 2894 H2 TIP3 507 -6.266 -29.745 42.582 0.00 0.00 WAT1 ATOM 2895 OH2 TIP3 508 -1.116 -28.161 35.029 0.00 0.00 WAT1 ATOM 2896 H1 TIP3 508 -0.250 -27.795 34.851 0.00 0.00 WAT1 ATOM 2897 H2 TIP3 508 -1.363 -28.601 34.216 0.00 0.00 WAT1 ATOM 2898 OH2 TIP3 509 5.593 -28.598 37.709 0.00 0.00 WAT1 ATOM 2899 H1 TIP3 509 5.399 -29.346 37.144 0.00 0.00 WAT1 ATOM 2900 H2 TIP3 509 5.554 -27.840 37.125 0.00 0.00 WAT1 ATOM 2901 OH2 TIP3 510 -8.338 -18.235 -11.667 0.00 0.00 WAT1 ATOM 2902 H1 TIP3 510 -8.296 -18.861 -10.943 0.00 0.00 WAT1 ATOM 2903 H2 TIP3 510 -7.635 -17.612 -11.485 0.00 0.00 WAT1 ATOM 2904 OH2 TIP3 511 -7.414 -13.785 -13.132 0.00 0.00 WAT1 ATOM 2905 H1 TIP3 511 -7.784 -14.587 -13.501 0.00 0.00 WAT1 ATOM 2906 H2 TIP3 511 -6.473 -13.954 -13.085 0.00 0.00 WAT1 ATOM 2907 OH2 TIP3 512 -4.642 -16.328 -10.892 0.00 0.00 WAT1 ATOM 2908 H1 TIP3 512 -5.382 -15.730 -10.789 0.00 0.00 WAT1 ATOM 2909 H2 TIP3 512 -3.928 -15.774 -11.208 0.00 0.00 WAT1 ATOM 2910 OH2 TIP3 513 4.609 -14.823 -8.999 0.00 0.00 WAT1 ATOM 2911 H1 TIP3 513 4.749 -15.414 -9.738 0.00 0.00 WAT1 ATOM 2912 H2 TIP3 513 4.777 -13.950 -9.355 0.00 0.00 WAT1 ATOM 2913 OH2 TIP3 514 2.385 -19.477 -9.207 0.00 0.00 WAT1 ATOM 2914 H1 TIP3 514 2.465 -18.714 -8.635 0.00 0.00 WAT1 ATOM 2915 H2 TIP3 514 1.784 -19.198 -9.898 0.00 0.00 WAT1 ATOM 2916 OH2 TIP3 515 -4.500 -13.593 -13.711 0.00 0.00 WAT1 ATOM 2917 H1 TIP3 515 -4.595 -14.171 -14.468 0.00 0.00 WAT1 ATOM 2918 H2 TIP3 515 -3.771 -13.964 -13.215 0.00 0.00 WAT1 ATOM 2919 OH2 TIP3 516 -5.500 -18.252 -12.759 0.00 0.00 WAT1 ATOM 2920 H1 TIP3 516 -4.935 -18.131 -13.522 0.00 0.00 WAT1 ATOM 2921 H2 TIP3 516 -5.181 -17.615 -12.120 0.00 0.00 WAT1 ATOM 2922 OH2 TIP3 517 -7.700 -17.655 -8.813 0.00 0.00 WAT1 ATOM 2923 H1 TIP3 517 -7.630 -17.004 -8.115 0.00 0.00 WAT1 ATOM 2924 H2 TIP3 517 -8.591 -17.552 -9.148 0.00 0.00 WAT1 ATOM 2925 OH2 TIP3 518 -10.784 -15.588 -9.988 0.00 0.00 WAT1 ATOM 2926 H1 TIP3 518 -11.285 -15.616 -10.803 0.00 0.00 WAT1 ATOM 2927 H2 TIP3 518 -10.778 -16.494 -9.678 0.00 0.00 WAT1 ATOM 2928 OH2 TIP3 519 -11.033 -12.808 -13.104 0.00 0.00 WAT1 ATOM 2929 H1 TIP3 519 -10.087 -12.952 -13.123 0.00 0.00 WAT1 ATOM 2930 H2 TIP3 519 -11.146 -12.024 -12.567 0.00 0.00 WAT1 ATOM 2931 OH2 TIP3 520 -1.857 -12.568 -8.546 0.00 0.00 WAT1 ATOM 2932 H1 TIP3 520 -1.770 -11.742 -8.071 0.00 0.00 WAT1 ATOM 2933 H2 TIP3 520 -2.721 -12.898 -8.297 0.00 0.00 WAT1 ATOM 2934 OH2 TIP3 521 4.316 -20.649 -6.942 0.00 0.00 WAT1 ATOM 2935 H1 TIP3 521 3.909 -20.168 -7.662 0.00 0.00 WAT1 ATOM 2936 H2 TIP3 521 4.357 -21.554 -7.249 0.00 0.00 WAT1 ATOM 2937 OH2 TIP3 522 -1.190 -20.017 -6.637 0.00 0.00 WAT1 ATOM 2938 H1 TIP3 522 -1.753 -20.721 -6.317 0.00 0.00 WAT1 ATOM 2939 H2 TIP3 522 -0.364 -20.137 -6.170 0.00 0.00 WAT1 ATOM 2940 OH2 TIP3 523 -8.075 -20.509 -9.987 0.00 0.00 WAT1 ATOM 2941 H1 TIP3 523 -8.113 -20.109 -9.119 0.00 0.00 WAT1 ATOM 2942 H2 TIP3 523 -8.566 -21.326 -9.897 0.00 0.00 WAT1 ATOM 2943 OH2 TIP3 524 -0.024 -19.108 -10.640 0.00 0.00 WAT1 ATOM 2944 H1 TIP3 524 0.300 -19.739 -11.283 0.00 0.00 WAT1 ATOM 2945 H2 TIP3 524 -0.464 -19.643 -9.979 0.00 0.00 WAT1 ATOM 2946 OH2 TIP3 525 -1.236 -15.608 -8.633 0.00 0.00 WAT1 ATOM 2947 H1 TIP3 525 -1.582 -15.989 -7.827 0.00 0.00 WAT1 ATOM 2948 H2 TIP3 525 -1.436 -14.674 -8.562 0.00 0.00 WAT1 ATOM 2949 OH2 TIP3 526 -10.623 -18.036 -8.786 0.00 0.00 WAT1 ATOM 2950 H1 TIP3 526 -10.400 -18.454 -7.954 0.00 0.00 WAT1 ATOM 2951 H2 TIP3 526 -11.225 -18.649 -9.208 0.00 0.00 WAT1 ATOM 2952 OH2 TIP3 527 -3.606 -18.519 -6.573 0.00 0.00 WAT1 ATOM 2953 H1 TIP3 527 -3.902 -18.685 -7.468 0.00 0.00 WAT1 ATOM 2954 H2 TIP3 527 -2.675 -18.739 -6.583 0.00 0.00 WAT1 ATOM 2955 OH2 TIP3 528 1.014 -13.146 -8.683 0.00 0.00 WAT1 ATOM 2956 H1 TIP3 528 0.113 -12.963 -8.951 0.00 0.00 WAT1 ATOM 2957 H2 TIP3 528 1.048 -12.887 -7.762 0.00 0.00 WAT1 ATOM 2958 OH2 TIP3 529 -3.314 -11.167 -10.805 0.00 0.00 WAT1 ATOM 2959 H1 TIP3 529 -2.951 -10.312 -11.038 0.00 0.00 WAT1 ATOM 2960 H2 TIP3 529 -2.782 -11.459 -10.064 0.00 0.00 WAT1 ATOM 2961 OH2 TIP3 530 0.230 -15.068 -11.104 0.00 0.00 WAT1 ATOM 2962 H1 TIP3 530 -0.196 -15.295 -10.278 0.00 0.00 WAT1 ATOM 2963 H2 TIP3 530 0.811 -15.806 -11.287 0.00 0.00 WAT1 ATOM 2964 OH2 TIP3 531 2.889 -10.516 -8.635 0.00 0.00 WAT1 ATOM 2965 H1 TIP3 531 2.287 -11.071 -9.130 0.00 0.00 WAT1 ATOM 2966 H2 TIP3 531 3.170 -9.849 -9.261 0.00 0.00 WAT1 ATOM 2967 OH2 TIP3 532 -9.338 -11.478 -10.793 0.00 0.00 WAT1 ATOM 2968 H1 TIP3 532 -9.121 -12.410 -10.824 0.00 0.00 WAT1 ATOM 2969 H2 TIP3 532 -9.091 -11.204 -9.909 0.00 0.00 WAT1 ATOM 2970 OH2 TIP3 533 -1.734 -21.176 -9.221 0.00 0.00 WAT1 ATOM 2971 H1 TIP3 533 -1.615 -20.602 -8.464 0.00 0.00 WAT1 ATOM 2972 H2 TIP3 533 -1.079 -21.864 -9.106 0.00 0.00 WAT1 ATOM 2973 OH2 TIP3 534 1.047 -12.292 -6.091 0.00 0.00 WAT1 ATOM 2974 H1 TIP3 534 0.696 -13.148 -5.848 0.00 0.00 WAT1 ATOM 2975 H2 TIP3 534 1.773 -12.149 -5.484 0.00 0.00 WAT1 ATOM 2976 OH2 TIP3 535 2.170 -15.895 -8.670 0.00 0.00 WAT1 ATOM 2977 H1 TIP3 535 2.915 -15.307 -8.790 0.00 0.00 WAT1 ATOM 2978 H2 TIP3 535 1.413 -15.313 -8.607 0.00 0.00 WAT1 ATOM 2979 OH2 TIP3 536 -9.388 -18.581 -6.066 0.00 0.00 WAT1 ATOM 2980 H1 TIP3 536 -8.980 -19.438 -6.187 0.00 0.00 WAT1 ATOM 2981 H2 TIP3 536 -9.648 -18.566 -5.145 0.00 0.00 WAT1 ATOM 2982 OH2 TIP3 537 -5.441 -19.572 -8.692 0.00 0.00 WAT1 ATOM 2983 H1 TIP3 537 -6.059 -18.897 -8.411 0.00 0.00 WAT1 ATOM 2984 H2 TIP3 537 -5.097 -19.251 -9.525 0.00 0.00 WAT1 ATOM 2985 OH2 TIP3 538 -5.101 -22.217 -7.609 0.00 0.00 WAT1 ATOM 2986 H1 TIP3 538 -4.951 -22.946 -8.212 0.00 0.00 WAT1 ATOM 2987 H2 TIP3 538 -5.099 -21.440 -8.168 0.00 0.00 WAT1 ATOM 2988 OH2 TIP3 539 -3.107 -18.408 -9.877 0.00 0.00 WAT1 ATOM 2989 H1 TIP3 539 -2.356 -18.564 -10.450 0.00 0.00 WAT1 ATOM 2990 H2 TIP3 539 -3.446 -17.556 -10.153 0.00 0.00 WAT1 ATOM 2991 OH2 TIP3 540 1.309 -20.593 -4.849 0.00 0.00 WAT1 ATOM 2992 H1 TIP3 540 1.501 -21.524 -4.960 0.00 0.00 WAT1 ATOM 2993 H2 TIP3 540 2.166 -20.168 -4.859 0.00 0.00 WAT1 ATOM 2994 OH2 TIP3 541 2.625 -17.804 -6.771 0.00 0.00 WAT1 ATOM 2995 H1 TIP3 541 2.344 -17.095 -7.349 0.00 0.00 WAT1 ATOM 2996 H2 TIP3 541 3.568 -17.877 -6.922 0.00 0.00 WAT1 ATOM 2997 OH2 TIP3 542 -6.623 -21.019 -5.698 0.00 0.00 WAT1 ATOM 2998 H1 TIP3 542 -7.390 -21.551 -5.908 0.00 0.00 WAT1 ATOM 2999 H2 TIP3 542 -5.944 -21.329 -6.297 0.00 0.00 WAT1 ATOM 3000 OH2 TIP3 543 -2.619 -22.069 -6.122 0.00 0.00 WAT1 ATOM 3001 H1 TIP3 543 -2.855 -22.289 -5.220 0.00 0.00 WAT1 ATOM 3002 H2 TIP3 543 -3.402 -22.276 -6.631 0.00 0.00 WAT1 ATOM 3003 OH2 TIP3 544 0.097 -22.942 -7.046 0.00 0.00 WAT1 ATOM 3004 H1 TIP3 544 -0.851 -22.910 -6.914 0.00 0.00 WAT1 ATOM 3005 H2 TIP3 544 0.409 -23.567 -6.392 0.00 0.00 WAT1 ATOM 3006 OH2 TIP3 545 -10.674 -10.421 -15.419 0.00 0.00 WAT1 ATOM 3007 H1 TIP3 545 -11.008 -11.302 -15.247 0.00 0.00 WAT1 ATOM 3008 H2 TIP3 545 -10.452 -10.076 -14.555 0.00 0.00 WAT1 ATOM 3009 OH2 TIP3 546 4.889 -14.255 -4.879 0.00 0.00 WAT1 ATOM 3010 H1 TIP3 546 4.023 -14.360 -4.485 0.00 0.00 WAT1 ATOM 3011 H2 TIP3 546 5.265 -13.496 -4.432 0.00 0.00 WAT1 ATOM 3012 OH2 TIP3 547 5.227 -17.454 -7.339 0.00 0.00 WAT1 ATOM 3013 H1 TIP3 547 5.810 -18.188 -7.148 0.00 0.00 WAT1 ATOM 3014 H2 TIP3 547 5.791 -16.682 -7.293 0.00 0.00 WAT1 ATOM 3015 OH2 TIP3 548 -6.048 -11.618 -10.065 0.00 0.00 WAT1 ATOM 3016 H1 TIP3 548 -6.473 -10.809 -10.348 0.00 0.00 WAT1 ATOM 3017 H2 TIP3 548 -5.143 -11.533 -10.367 0.00 0.00 WAT1 ATOM 3018 OH2 TIP3 549 -1.737 -10.219 -7.106 0.00 0.00 WAT1 ATOM 3019 H1 TIP3 549 -1.552 -10.553 -6.228 0.00 0.00 WAT1 ATOM 3020 H2 TIP3 549 -0.890 -9.910 -7.428 0.00 0.00 WAT1 ATOM 3021 OH2 TIP3 550 0.608 -8.934 -7.862 0.00 0.00 WAT1 ATOM 3022 H1 TIP3 550 1.285 -9.566 -8.102 0.00 0.00 WAT1 ATOM 3023 H2 TIP3 550 0.930 -8.532 -7.054 0.00 0.00 WAT1 ATOM 3024 OH2 TIP3 551 -1.468 -8.874 -11.812 0.00 0.00 WAT1 ATOM 3025 H1 TIP3 551 -1.925 -8.345 -12.466 0.00 0.00 WAT1 ATOM 3026 H2 TIP3 551 -1.305 -8.271 -11.087 0.00 0.00 WAT1 ATOM 3027 OH2 TIP3 552 -9.231 -9.739 -13.107 0.00 0.00 WAT1 ATOM 3028 H1 TIP3 552 -9.250 -10.164 -12.250 0.00 0.00 WAT1 ATOM 3029 H2 TIP3 552 -8.426 -10.057 -13.516 0.00 0.00 WAT1 ATOM 3030 OH2 TIP3 553 -7.090 -11.029 -14.452 0.00 0.00 WAT1 ATOM 3031 H1 TIP3 553 -7.309 -11.945 -14.283 0.00 0.00 WAT1 ATOM 3032 H2 TIP3 553 -6.266 -10.889 -13.986 0.00 0.00 WAT1 ATOM 3033 OH2 TIP3 554 -4.553 -10.559 -13.604 0.00 0.00 WAT1 ATOM 3034 H1 TIP3 554 -4.340 -11.447 -13.891 0.00 0.00 WAT1 ATOM 3035 H2 TIP3 554 -4.488 -10.593 -12.649 0.00 0.00 WAT1 ATOM 3036 OH2 TIP3 555 4.811 -10.991 -6.709 0.00 0.00 WAT1 ATOM 3037 H1 TIP3 555 4.029 -11.177 -7.229 0.00 0.00 WAT1 ATOM 3038 H2 TIP3 555 4.739 -10.062 -6.492 0.00 0.00 WAT1 ATOM 3039 OH2 TIP3 556 0.111 -9.806 4.110 0.00 0.00 WAT1 ATOM 3040 H1 TIP3 556 0.731 -10.483 3.837 0.00 0.00 WAT1 ATOM 3041 H2 TIP3 556 -0.097 -10.024 5.018 0.00 0.00 WAT1 ATOM 3042 OH2 TIP3 557 1.764 -11.290 2.871 0.00 0.00 WAT1 ATOM 3043 H1 TIP3 557 2.189 -11.997 2.386 0.00 0.00 WAT1 ATOM 3044 H2 TIP3 557 2.081 -10.489 2.454 0.00 0.00 WAT1 ATOM 3045 OH2 TIP3 558 2.923 -13.389 1.380 0.00 0.00 WAT1 ATOM 3046 H1 TIP3 558 2.666 -14.079 0.768 0.00 0.00 WAT1 ATOM 3047 H2 TIP3 558 2.994 -13.832 2.225 0.00 0.00 WAT1 ATOM 3048 OH2 TIP3 559 5.057 -26.739 -1.921 0.00 0.00 WAT1 ATOM 3049 H1 TIP3 559 4.158 -26.600 -1.626 0.00 0.00 WAT1 ATOM 3050 H2 TIP3 559 5.309 -25.908 -2.323 0.00 0.00 WAT1 ATOM 3051 OH2 TIP3 560 6.247 -12.373 -3.544 0.00 0.00 WAT1 ATOM 3052 H1 TIP3 560 6.320 -11.434 -3.374 0.00 0.00 WAT1 ATOM 3053 H2 TIP3 560 7.152 -12.678 -3.601 0.00 0.00 WAT1 ATOM 3054 OH2 TIP3 561 -1.443 -8.796 0.116 0.00 0.00 WAT1 ATOM 3055 H1 TIP3 561 -1.518 -8.917 -0.830 0.00 0.00 WAT1 ATOM 3056 H2 TIP3 561 -1.410 -7.846 0.235 0.00 0.00 WAT1 ATOM 3057 OH2 TIP3 562 1.659 -9.642 -2.881 0.00 0.00 WAT1 ATOM 3058 H1 TIP3 562 2.034 -10.386 -3.352 0.00 0.00 WAT1 ATOM 3059 H2 TIP3 562 1.663 -9.912 -1.963 0.00 0.00 WAT1 ATOM 3060 OH2 TIP3 563 1.328 -9.716 -0.132 0.00 0.00 WAT1 ATOM 3061 H1 TIP3 563 0.393 -9.616 0.047 0.00 0.00 WAT1 ATOM 3062 H2 TIP3 563 1.608 -10.425 0.446 0.00 0.00 WAT1 ATOM 3063 OH2 TIP3 564 2.836 -17.456 -4.104 0.00 0.00 WAT1 ATOM 3064 H1 TIP3 564 2.878 -17.679 -5.034 0.00 0.00 WAT1 ATOM 3065 H2 TIP3 564 3.685 -17.058 -3.914 0.00 0.00 WAT1 ATOM 3066 OH2 TIP3 565 -1.591 -23.580 -3.434 0.00 0.00 WAT1 ATOM 3067 H1 TIP3 565 -1.845 -23.561 -2.511 0.00 0.00 WAT1 ATOM 3068 H2 TIP3 565 -1.848 -24.452 -3.735 0.00 0.00 WAT1 ATOM 3069 OH2 TIP3 566 -4.709 -23.135 -4.333 0.00 0.00 WAT1 ATOM 3070 H1 TIP3 566 -5.140 -23.580 -3.603 0.00 0.00 WAT1 ATOM 3071 H2 TIP3 566 -5.427 -22.763 -4.845 0.00 0.00 WAT1 ATOM 3072 OH2 TIP3 567 -10.192 -22.647 -1.857 0.00 0.00 WAT1 ATOM 3073 H1 TIP3 567 -9.718 -22.056 -2.442 0.00 0.00 WAT1 ATOM 3074 H2 TIP3 567 -10.910 -22.116 -1.510 0.00 0.00 WAT1 ATOM 3075 OH2 TIP3 568 -4.765 -21.552 -0.517 0.00 0.00 WAT1 ATOM 3076 H1 TIP3 568 -3.833 -21.423 -0.339 0.00 0.00 WAT1 ATOM 3077 H2 TIP3 568 -4.980 -20.882 -1.166 0.00 0.00 WAT1 ATOM 3078 OH2 TIP3 569 -6.091 -20.357 -2.950 0.00 0.00 WAT1 ATOM 3079 H1 TIP3 569 -6.633 -20.737 -3.641 0.00 0.00 WAT1 ATOM 3080 H2 TIP3 569 -5.257 -20.163 -3.379 0.00 0.00 WAT1 ATOM 3081 OH2 TIP3 570 1.142 -22.978 -2.815 0.00 0.00 WAT1 ATOM 3082 H1 TIP3 570 0.204 -22.866 -2.966 0.00 0.00 WAT1 ATOM 3083 H2 TIP3 570 1.439 -22.121 -2.509 0.00 0.00 WAT1 ATOM 3084 OH2 TIP3 571 6.745 -20.901 -1.460 0.00 0.00 WAT1 ATOM 3085 H1 TIP3 571 6.191 -21.297 -2.132 0.00 0.00 WAT1 ATOM 3086 H2 TIP3 571 6.846 -19.991 -1.737 0.00 0.00 WAT1 ATOM 3087 OH2 TIP3 572 5.041 -12.115 -0.995 0.00 0.00 WAT1 ATOM 3088 H1 TIP3 572 4.668 -12.941 -0.685 0.00 0.00 WAT1 ATOM 3089 H2 TIP3 572 5.318 -12.298 -1.892 0.00 0.00 WAT1 ATOM 3090 OH2 TIP3 573 -9.501 -18.117 -3.253 0.00 0.00 WAT1 ATOM 3091 H1 TIP3 573 -8.885 -17.490 -2.874 0.00 0.00 WAT1 ATOM 3092 H2 TIP3 573 -10.363 -17.801 -2.982 0.00 0.00 WAT1 ATOM 3093 OH2 TIP3 574 0.530 -23.890 -0.385 0.00 0.00 WAT1 ATOM 3094 H1 TIP3 574 0.750 -23.418 -1.188 0.00 0.00 WAT1 ATOM 3095 H2 TIP3 574 1.088 -23.495 0.286 0.00 0.00 WAT1 ATOM 3096 OH2 TIP3 575 -2.270 -22.162 0.450 0.00 0.00 WAT1 ATOM 3097 H1 TIP3 575 -1.458 -21.658 0.496 0.00 0.00 WAT1 ATOM 3098 H2 TIP3 575 -2.515 -22.307 1.364 0.00 0.00 WAT1 ATOM 3099 OH2 TIP3 576 -1.386 -25.081 1.388 0.00 0.00 WAT1 ATOM 3100 H1 TIP3 576 -1.733 -24.463 2.033 0.00 0.00 WAT1 ATOM 3101 H2 TIP3 576 -0.728 -24.580 0.907 0.00 0.00 WAT1 ATOM 3102 OH2 TIP3 577 -5.729 -24.018 -1.924 0.00 0.00 WAT1 ATOM 3103 H1 TIP3 577 -5.812 -23.129 -1.578 0.00 0.00 WAT1 ATOM 3104 H2 TIP3 577 -4.839 -24.283 -1.693 0.00 0.00 WAT1 ATOM 3105 OH2 TIP3 578 -9.154 -20.926 -3.748 0.00 0.00 WAT1 ATOM 3106 H1 TIP3 578 -9.199 -19.987 -3.569 0.00 0.00 WAT1 ATOM 3107 H2 TIP3 578 -10.042 -21.162 -4.018 0.00 0.00 WAT1 ATOM 3108 OH2 TIP3 579 4.159 -10.262 6.188 0.00 0.00 WAT1 ATOM 3109 H1 TIP3 579 4.003 -9.584 5.531 0.00 0.00 WAT1 ATOM 3110 H2 TIP3 579 5.091 -10.190 6.391 0.00 0.00 WAT1 ATOM 3111 OH2 TIP3 580 3.166 -11.347 -4.355 0.00 0.00 WAT1 ATOM 3112 H1 TIP3 580 3.449 -12.141 -3.902 0.00 0.00 WAT1 ATOM 3113 H2 TIP3 580 3.906 -11.114 -4.916 0.00 0.00 WAT1 ATOM 3114 OH2 TIP3 581 5.731 -16.867 -4.484 0.00 0.00 WAT1 ATOM 3115 H1 TIP3 581 5.458 -17.292 -5.297 0.00 0.00 WAT1 ATOM 3116 H2 TIP3 581 5.771 -15.936 -4.701 0.00 0.00 WAT1 ATOM 3117 OH2 TIP3 582 -3.761 -8.531 -2.928 0.00 0.00 WAT1 ATOM 3118 H1 TIP3 582 -2.828 -8.373 -2.784 0.00 0.00 WAT1 ATOM 3119 H2 TIP3 582 -4.025 -7.856 -3.553 0.00 0.00 WAT1 ATOM 3120 OH2 TIP3 583 -10.674 -10.421 3.437 0.00 0.00 WAT1 ATOM 3121 H1 TIP3 583 -11.008 -11.302 3.609 0.00 0.00 WAT1 ATOM 3122 H2 TIP3 583 -10.452 -10.076 4.301 0.00 0.00 WAT1 ATOM 3123 OH2 TIP3 584 6.875 -9.612 6.417 0.00 0.00 WAT1 ATOM 3124 H1 TIP3 584 6.853 -9.427 7.356 0.00 0.00 WAT1 ATOM 3125 H2 TIP3 584 7.565 -9.043 6.076 0.00 0.00 WAT1 ATOM 3126 OH2 TIP3 585 6.852 -18.044 -2.294 0.00 0.00 WAT1 ATOM 3127 H1 TIP3 585 6.331 -17.687 -3.013 0.00 0.00 WAT1 ATOM 3128 H2 TIP3 585 6.819 -17.369 -1.616 0.00 0.00 WAT1 ATOM 3129 OH2 TIP3 586 5.201 -20.804 -3.743 0.00 0.00 WAT1 ATOM 3130 H1 TIP3 586 5.298 -20.137 -4.423 0.00 0.00 WAT1 ATOM 3131 H2 TIP3 586 5.061 -21.620 -4.225 0.00 0.00 WAT1 ATOM 3132 OH2 TIP3 587 4.449 -23.396 -4.626 0.00 0.00 WAT1 ATOM 3133 H1 TIP3 587 5.059 -23.768 -3.989 0.00 0.00 WAT1 ATOM 3134 H2 TIP3 587 3.612 -23.818 -4.430 0.00 0.00 WAT1 ATOM 3135 OH2 TIP3 588 4.695 -24.578 0.389 0.00 0.00 WAT1 ATOM 3136 H1 TIP3 588 4.877 -25.027 1.214 0.00 0.00 WAT1 ATOM 3137 H2 TIP3 588 4.095 -25.163 -0.075 0.00 0.00 WAT1 ATOM 3138 OH2 TIP3 589 6.561 -24.511 -3.083 0.00 0.00 WAT1 ATOM 3139 H1 TIP3 589 6.974 -25.232 -3.559 0.00 0.00 WAT1 ATOM 3140 H2 TIP3 589 7.243 -23.841 -3.025 0.00 0.00 WAT1 ATOM 3141 OH2 TIP3 590 3.613 -9.522 1.989 0.00 0.00 WAT1 ATOM 3142 H1 TIP3 590 4.266 -9.869 1.381 0.00 0.00 WAT1 ATOM 3143 H2 TIP3 590 4.124 -9.033 2.635 0.00 0.00 WAT1 ATOM 3144 OH2 TIP3 591 0.608 -8.934 10.994 0.00 0.00 WAT1 ATOM 3145 H1 TIP3 591 1.285 -9.566 10.754 0.00 0.00 WAT1 ATOM 3146 H2 TIP3 591 0.930 -8.532 11.802 0.00 0.00 WAT1 ATOM 3147 OH2 TIP3 592 -8.646 -8.362 8.838 0.00 0.00 WAT1 ATOM 3148 H1 TIP3 592 -9.366 -7.922 8.387 0.00 0.00 WAT1 ATOM 3149 H2 TIP3 592 -9.012 -8.613 9.687 0.00 0.00 WAT1 ATOM 3150 OH2 TIP3 593 -6.179 -8.762 7.868 0.00 0.00 WAT1 ATOM 3151 H1 TIP3 593 -7.044 -8.690 8.272 0.00 0.00 WAT1 ATOM 3152 H2 TIP3 593 -6.234 -8.215 7.084 0.00 0.00 WAT1 ATOM 3153 OH2 TIP3 594 -1.468 -8.874 7.044 0.00 0.00 WAT1 ATOM 3154 H1 TIP3 594 -1.925 -8.345 6.390 0.00 0.00 WAT1 ATOM 3155 H2 TIP3 594 -1.305 -8.271 7.769 0.00 0.00 WAT1 ATOM 3156 OH2 TIP3 595 0.859 -9.996 7.989 0.00 0.00 WAT1 ATOM 3157 H1 TIP3 595 -0.045 -9.831 7.723 0.00 0.00 WAT1 ATOM 3158 H2 TIP3 595 1.288 -9.143 7.923 0.00 0.00 WAT1 ATOM 3159 OH2 TIP3 596 3.464 -8.426 8.284 0.00 0.00 WAT1 ATOM 3160 H1 TIP3 596 3.282 -7.510 8.073 0.00 0.00 WAT1 ATOM 3161 H2 TIP3 596 3.640 -8.836 7.437 0.00 0.00 WAT1 ATOM 3162 OH2 TIP3 597 -9.231 -9.739 5.749 0.00 0.00 WAT1 ATOM 3163 H1 TIP3 597 -9.250 -10.164 6.606 0.00 0.00 WAT1 ATOM 3164 H2 TIP3 597 -8.426 -10.057 5.340 0.00 0.00 WAT1 ATOM 3165 OH2 TIP3 598 -4.553 -10.559 5.252 0.00 0.00 WAT1 ATOM 3166 H1 TIP3 598 -4.340 -11.447 4.965 0.00 0.00 WAT1 ATOM 3167 H2 TIP3 598 -4.488 -10.593 6.207 0.00 0.00 WAT1 ATOM 3168 OH2 TIP3 599 -9.881 -26.463 -1.978 0.00 0.00 WAT1 ATOM 3169 H1 TIP3 599 -9.442 -25.852 -2.569 0.00 0.00 WAT1 ATOM 3170 H2 TIP3 599 -10.515 -25.925 -1.504 0.00 0.00 WAT1 ATOM 3171 OH2 TIP3 600 2.772 -26.278 -0.626 0.00 0.00 WAT1 ATOM 3172 H1 TIP3 600 2.069 -25.664 -0.836 0.00 0.00 WAT1 ATOM 3173 H2 TIP3 600 2.327 -27.116 -0.495 0.00 0.00 WAT1 ATOM 3174 OH2 TIP3 601 -8.020 -24.547 -3.535 0.00 0.00 WAT1 ATOM 3175 H1 TIP3 601 -7.529 -25.177 -4.063 0.00 0.00 WAT1 ATOM 3176 H2 TIP3 601 -7.397 -24.251 -2.872 0.00 0.00 WAT1 ATOM 3177 OH2 TIP3 602 -2.994 -24.254 -1.078 0.00 0.00 WAT1 ATOM 3178 H1 TIP3 602 -2.816 -24.900 -0.395 0.00 0.00 WAT1 ATOM 3179 H2 TIP3 602 -3.048 -23.420 -0.611 0.00 0.00 WAT1 ATOM 3180 OH2 TIP3 603 -1.116 -9.305 -2.683 0.00 0.00 WAT1 ATOM 3181 H1 TIP3 603 -0.250 -8.939 -2.861 0.00 0.00 WAT1 ATOM 3182 H2 TIP3 603 -1.363 -9.745 -3.496 0.00 0.00 WAT1 ATOM 3183 OH2 TIP3 604 5.593 -9.742 -0.003 0.00 0.00 WAT1 ATOM 3184 H1 TIP3 604 5.399 -10.490 -0.568 0.00 0.00 WAT1 ATOM 3185 H2 TIP3 604 5.554 -8.984 -0.587 0.00 0.00 WAT1 ATOM 3186 OH2 TIP3 605 -7.414 -13.785 24.580 0.00 0.00 WAT1 ATOM 3187 H1 TIP3 605 -7.784 -14.587 24.211 0.00 0.00 WAT1 ATOM 3188 H2 TIP3 605 -6.473 -13.954 24.627 0.00 0.00 WAT1 ATOM 3189 OH2 TIP3 606 -6.234 -14.364 27.607 0.00 0.00 WAT1 ATOM 3190 H1 TIP3 606 -6.240 -13.485 27.229 0.00 0.00 WAT1 ATOM 3191 H2 TIP3 606 -7.088 -14.447 28.032 0.00 0.00 WAT1 ATOM 3192 OH2 TIP3 607 6.451 -18.483 26.779 0.00 0.00 WAT1 ATOM 3193 H1 TIP3 607 5.799 -17.788 26.868 0.00 0.00 WAT1 ATOM 3194 H2 TIP3 607 6.916 -18.273 25.969 0.00 0.00 WAT1 ATOM 3195 OH2 TIP3 608 -4.620 -13.853 29.670 0.00 0.00 WAT1 ATOM 3196 H1 TIP3 608 -4.932 -13.071 30.126 0.00 0.00 WAT1 ATOM 3197 H2 TIP3 608 -5.270 -14.006 28.984 0.00 0.00 WAT1 ATOM 3198 OH2 TIP3 609 -6.381 -11.781 30.434 0.00 0.00 WAT1 ATOM 3199 H1 TIP3 609 -6.373 -11.917 29.486 0.00 0.00 WAT1 ATOM 3200 H2 TIP3 609 -7.297 -11.899 30.686 0.00 0.00 WAT1 ATOM 3201 OH2 TIP3 610 -11.033 -12.808 24.608 0.00 0.00 WAT1 ATOM 3202 H1 TIP3 610 -10.087 -12.952 24.589 0.00 0.00 WAT1 ATOM 3203 H2 TIP3 610 -11.146 -12.024 25.145 0.00 0.00 WAT1 ATOM 3204 OH2 TIP3 611 7.164 -12.142 30.290 0.00 0.00 WAT1 ATOM 3205 H1 TIP3 611 7.115 -13.097 30.253 0.00 0.00 WAT1 ATOM 3206 H2 TIP3 611 6.338 -11.874 30.692 0.00 0.00 WAT1 ATOM 3207 OH2 TIP3 612 -1.857 -12.568 29.166 0.00 0.00 WAT1 ATOM 3208 H1 TIP3 612 -1.770 -11.742 29.641 0.00 0.00 WAT1 ATOM 3209 H2 TIP3 612 -2.721 -12.898 29.415 0.00 0.00 WAT1 ATOM 3210 OH2 TIP3 613 -7.789 -10.007 20.753 0.00 0.00 WAT1 ATOM 3211 H1 TIP3 613 -7.637 -10.355 21.632 0.00 0.00 WAT1 ATOM 3212 H2 TIP3 613 -8.640 -10.363 20.498 0.00 0.00 WAT1 ATOM 3213 OH2 TIP3 614 -8.535 -14.265 28.767 0.00 0.00 WAT1 ATOM 3214 H1 TIP3 614 -8.318 -14.626 29.627 0.00 0.00 WAT1 ATOM 3215 H2 TIP3 614 -9.390 -14.639 28.557 0.00 0.00 WAT1 ATOM 3216 OH2 TIP3 615 -1.236 -15.608 29.079 0.00 0.00 WAT1 ATOM 3217 H1 TIP3 615 -1.582 -15.989 29.885 0.00 0.00 WAT1 ATOM 3218 H2 TIP3 615 -1.436 -14.674 29.150 0.00 0.00 WAT1 ATOM 3219 OH2 TIP3 616 6.709 -15.101 30.233 0.00 0.00 WAT1 ATOM 3220 H1 TIP3 616 5.857 -14.863 29.866 0.00 0.00 WAT1 ATOM 3221 H2 TIP3 616 7.299 -15.118 29.480 0.00 0.00 WAT1 ATOM 3222 OH2 TIP3 617 -5.256 -12.979 21.016 0.00 0.00 WAT1 ATOM 3223 H1 TIP3 617 -4.729 -12.206 20.815 0.00 0.00 WAT1 ATOM 3224 H2 TIP3 617 -6.136 -12.754 20.714 0.00 0.00 WAT1 ATOM 3225 OH2 TIP3 618 -3.314 -11.167 26.907 0.00 0.00 WAT1 ATOM 3226 H1 TIP3 618 -2.951 -10.312 26.674 0.00 0.00 WAT1 ATOM 3227 H2 TIP3 618 -2.782 -11.459 27.648 0.00 0.00 WAT1 ATOM 3228 OH2 TIP3 619 -5.145 -10.294 20.137 0.00 0.00 WAT1 ATOM 3229 H1 TIP3 619 -6.095 -10.189 20.189 0.00 0.00 WAT1 ATOM 3230 H2 TIP3 619 -4.794 -9.474 20.482 0.00 0.00 WAT1 ATOM 3231 OH2 TIP3 620 2.889 -10.516 29.077 0.00 0.00 WAT1 ATOM 3232 H1 TIP3 620 2.287 -11.071 28.582 0.00 0.00 WAT1 ATOM 3233 H2 TIP3 620 3.170 -9.849 28.451 0.00 0.00 WAT1 ATOM 3234 OH2 TIP3 621 -9.338 -11.478 26.919 0.00 0.00 WAT1 ATOM 3235 H1 TIP3 621 -9.121 -12.410 26.888 0.00 0.00 WAT1 ATOM 3236 H2 TIP3 621 -9.091 -11.204 27.803 0.00 0.00 WAT1 ATOM 3237 OH2 TIP3 622 1.047 -12.292 31.621 0.00 0.00 WAT1 ATOM 3238 H1 TIP3 622 0.696 -13.148 31.864 0.00 0.00 WAT1 ATOM 3239 H2 TIP3 622 1.773 -12.149 32.228 0.00 0.00 WAT1 ATOM 3240 OH2 TIP3 623 -3.565 -15.811 31.659 0.00 0.00 WAT1 ATOM 3241 H1 TIP3 623 -3.893 -15.540 30.801 0.00 0.00 WAT1 ATOM 3242 H2 TIP3 623 -3.413 -16.752 31.571 0.00 0.00 WAT1 ATOM 3243 OH2 TIP3 624 -11.544 -8.502 20.488 0.00 0.00 WAT1 ATOM 3244 H1 TIP3 624 -12.191 -8.964 19.955 0.00 0.00 WAT1 ATOM 3245 H2 TIP3 624 -11.189 -9.174 21.071 0.00 0.00 WAT1 ATOM 3246 OH2 TIP3 625 -10.674 -10.421 22.293 0.00 0.00 WAT1 ATOM 3247 H1 TIP3 625 -11.008 -11.302 22.465 0.00 0.00 WAT1 ATOM 3248 H2 TIP3 625 -10.452 -10.076 23.157 0.00 0.00 WAT1 ATOM 3249 OH2 TIP3 626 6.875 -9.612 25.273 0.00 0.00 WAT1 ATOM 3250 H1 TIP3 626 6.853 -9.427 26.212 0.00 0.00 WAT1 ATOM 3251 H2 TIP3 626 7.565 -9.043 24.932 0.00 0.00 WAT1 ATOM 3252 OH2 TIP3 627 6.438 -10.045 28.195 0.00 0.00 WAT1 ATOM 3253 H1 TIP3 627 5.951 -10.780 27.824 0.00 0.00 WAT1 ATOM 3254 H2 TIP3 627 6.987 -10.438 28.873 0.00 0.00 WAT1 ATOM 3255 OH2 TIP3 628 4.889 -14.255 32.833 0.00 0.00 WAT1 ATOM 3256 H1 TIP3 628 4.023 -14.360 33.227 0.00 0.00 WAT1 ATOM 3257 H2 TIP3 628 5.265 -13.496 33.280 0.00 0.00 WAT1 ATOM 3258 OH2 TIP3 629 6.724 -19.551 31.057 0.00 0.00 WAT1 ATOM 3259 H1 TIP3 629 5.861 -19.930 30.892 0.00 0.00 WAT1 ATOM 3260 H2 TIP3 629 7.328 -20.290 30.983 0.00 0.00 WAT1 ATOM 3261 OH2 TIP3 630 -9.002 -12.593 31.388 0.00 0.00 WAT1 ATOM 3262 H1 TIP3 630 -9.823 -12.418 30.928 0.00 0.00 WAT1 ATOM 3263 H2 TIP3 630 -9.254 -12.666 32.309 0.00 0.00 WAT1 ATOM 3264 OH2 TIP3 631 -6.048 -11.618 27.647 0.00 0.00 WAT1 ATOM 3265 H1 TIP3 631 -6.473 -10.809 27.364 0.00 0.00 WAT1 ATOM 3266 H2 TIP3 631 -5.143 -11.533 27.345 0.00 0.00 WAT1 ATOM 3267 OH2 TIP3 632 -1.737 -10.219 30.606 0.00 0.00 WAT1 ATOM 3268 H1 TIP3 632 -1.552 -10.553 31.484 0.00 0.00 WAT1 ATOM 3269 H2 TIP3 632 -0.890 -9.910 30.284 0.00 0.00 WAT1 ATOM 3270 OH2 TIP3 633 0.608 -8.934 29.850 0.00 0.00 WAT1 ATOM 3271 H1 TIP3 633 1.285 -9.566 29.610 0.00 0.00 WAT1 ATOM 3272 H2 TIP3 633 0.930 -8.532 30.658 0.00 0.00 WAT1 ATOM 3273 OH2 TIP3 634 -6.179 -8.762 26.724 0.00 0.00 WAT1 ATOM 3274 H1 TIP3 634 -7.044 -8.690 27.128 0.00 0.00 WAT1 ATOM 3275 H2 TIP3 634 -6.234 -8.215 25.940 0.00 0.00 WAT1 ATOM 3276 OH2 TIP3 635 3.464 -8.426 27.140 0.00 0.00 WAT1 ATOM 3277 H1 TIP3 635 3.282 -7.510 26.929 0.00 0.00 WAT1 ATOM 3278 H2 TIP3 635 3.640 -8.836 26.293 0.00 0.00 WAT1 ATOM 3279 OH2 TIP3 636 -9.231 -9.739 24.605 0.00 0.00 WAT1 ATOM 3280 H1 TIP3 636 -9.250 -10.164 25.462 0.00 0.00 WAT1 ATOM 3281 H2 TIP3 636 -8.426 -10.057 24.196 0.00 0.00 WAT1 ATOM 3282 OH2 TIP3 637 -7.090 -11.029 23.260 0.00 0.00 WAT1 ATOM 3283 H1 TIP3 637 -7.309 -11.945 23.429 0.00 0.00 WAT1 ATOM 3284 H2 TIP3 637 -6.266 -10.889 23.726 0.00 0.00 WAT1 ATOM 3285 OH2 TIP3 638 -4.553 -10.559 24.108 0.00 0.00 WAT1 ATOM 3286 H1 TIP3 638 -4.340 -11.447 23.821 0.00 0.00 WAT1 ATOM 3287 H2 TIP3 638 -4.488 -10.593 25.063 0.00 0.00 WAT1 ATOM 3288 OH2 TIP3 639 4.811 -10.991 31.003 0.00 0.00 WAT1 ATOM 3289 H1 TIP3 639 4.029 -11.177 30.483 0.00 0.00 WAT1 ATOM 3290 H2 TIP3 639 4.739 -10.062 31.220 0.00 0.00 WAT1 ATOM 3291 OH2 TIP3 640 0.361 -17.105 39.889 0.00 0.00 WAT1 ATOM 3292 H1 TIP3 640 0.450 -16.161 39.757 0.00 0.00 WAT1 ATOM 3293 H2 TIP3 640 -0.278 -17.380 39.231 0.00 0.00 WAT1 ATOM 3294 OH2 TIP3 641 -10.804 -20.125 38.829 0.00 0.00 WAT1 ATOM 3295 H1 TIP3 641 -11.252 -19.279 38.811 0.00 0.00 WAT1 ATOM 3296 H2 TIP3 641 -11.365 -20.705 38.314 0.00 0.00 WAT1 ATOM 3297 OH2 TIP3 642 -10.094 -17.963 40.955 0.00 0.00 WAT1 ATOM 3298 H1 TIP3 642 -9.880 -18.733 41.482 0.00 0.00 WAT1 ATOM 3299 H2 TIP3 642 -9.356 -17.874 40.352 0.00 0.00 WAT1 ATOM 3300 OH2 TIP3 643 -6.021 -22.922 41.314 0.00 0.00 WAT1 ATOM 3301 H1 TIP3 643 -5.978 -22.062 40.896 0.00 0.00 WAT1 ATOM 3302 H2 TIP3 643 -6.479 -23.474 40.681 0.00 0.00 WAT1 ATOM 3303 OH2 TIP3 644 1.701 -22.791 39.715 0.00 0.00 WAT1 ATOM 3304 H1 TIP3 644 2.347 -23.120 40.340 0.00 0.00 WAT1 ATOM 3305 H2 TIP3 644 2.211 -22.273 39.092 0.00 0.00 WAT1 ATOM 3306 OH2 TIP3 645 -9.401 -20.525 42.076 0.00 0.00 WAT1 ATOM 3307 H1 TIP3 645 -8.747 -21.075 42.508 0.00 0.00 WAT1 ATOM 3308 H2 TIP3 645 -9.377 -20.799 41.160 0.00 0.00 WAT1 ATOM 3309 OH2 TIP3 646 -4.245 -18.975 41.292 0.00 0.00 WAT1 ATOM 3310 H1 TIP3 646 -3.629 -19.501 41.801 0.00 0.00 WAT1 ATOM 3311 H2 TIP3 646 -4.831 -19.615 40.888 0.00 0.00 WAT1 ATOM 3312 OH2 TIP3 647 0.158 -14.504 38.932 0.00 0.00 WAT1 ATOM 3313 H1 TIP3 647 -0.138 -14.826 38.081 0.00 0.00 WAT1 ATOM 3314 H2 TIP3 647 -0.166 -13.604 38.974 0.00 0.00 WAT1 ATOM 3315 OH2 TIP3 648 -10.113 -14.693 37.245 0.00 0.00 WAT1 ATOM 3316 H1 TIP3 648 -10.385 -14.464 36.356 0.00 0.00 WAT1 ATOM 3317 H2 TIP3 648 -10.068 -13.855 37.705 0.00 0.00 WAT1 ATOM 3318 OH2 TIP3 649 -0.918 -17.861 37.341 0.00 0.00 WAT1 ATOM 3319 H1 TIP3 649 -1.630 -17.326 36.990 0.00 0.00 WAT1 ATOM 3320 H2 TIP3 649 -0.227 -17.805 36.681 0.00 0.00 WAT1 ATOM 3321 OH2 TIP3 650 2.488 -17.651 38.293 0.00 0.00 WAT1 ATOM 3322 H1 TIP3 650 1.756 -17.423 38.866 0.00 0.00 WAT1 ATOM 3323 H2 TIP3 650 2.935 -18.365 38.748 0.00 0.00 WAT1 ATOM 3324 OH2 TIP3 651 -5.867 -17.021 40.176 0.00 0.00 WAT1 ATOM 3325 H1 TIP3 651 -6.197 -17.391 39.357 0.00 0.00 WAT1 ATOM 3326 H2 TIP3 651 -5.279 -17.691 40.522 0.00 0.00 WAT1 ATOM 3327 OH2 TIP3 652 5.057 -26.739 35.791 0.00 0.00 WAT1 ATOM 3328 H1 TIP3 652 4.158 -26.600 36.086 0.00 0.00 WAT1 ATOM 3329 H2 TIP3 652 5.309 -25.908 35.389 0.00 0.00 WAT1 ATOM 3330 OH2 TIP3 653 -6.877 -17.951 37.765 0.00 0.00 WAT1 ATOM 3331 H1 TIP3 653 -7.169 -17.183 37.274 0.00 0.00 WAT1 ATOM 3332 H2 TIP3 653 -7.551 -18.611 37.602 0.00 0.00 WAT1 ATOM 3333 OH2 TIP3 654 -5.828 -20.608 39.626 0.00 0.00 WAT1 ATOM 3334 H1 TIP3 654 -6.721 -20.949 39.567 0.00 0.00 WAT1 ATOM 3335 H2 TIP3 654 -5.377 -20.985 38.870 0.00 0.00 WAT1 ATOM 3336 OH2 TIP3 655 -0.292 -20.192 38.443 0.00 0.00 WAT1 ATOM 3337 H1 TIP3 655 -0.701 -19.377 38.151 0.00 0.00 WAT1 ATOM 3338 H2 TIP3 655 0.428 -20.332 37.828 0.00 0.00 WAT1 ATOM 3339 OH2 TIP3 656 0.712 -20.746 41.257 0.00 0.00 WAT1 ATOM 3340 H1 TIP3 656 0.517 -20.141 40.542 0.00 0.00 WAT1 ATOM 3341 H2 TIP3 656 0.894 -21.580 40.822 0.00 0.00 WAT1 ATOM 3342 OH2 TIP3 657 -11.467 -23.393 40.431 0.00 0.00 WAT1 ATOM 3343 H1 TIP3 657 -10.836 -23.422 41.151 0.00 0.00 WAT1 ATOM 3344 H2 TIP3 657 -11.017 -23.818 39.701 0.00 0.00 WAT1 ATOM 3345 OH2 TIP3 658 -3.246 -23.181 40.712 0.00 0.00 WAT1 ATOM 3346 H1 TIP3 658 -4.157 -23.124 41.001 0.00 0.00 WAT1 ATOM 3347 H2 TIP3 658 -2.741 -23.241 41.523 0.00 0.00 WAT1 ATOM 3348 OH2 TIP3 659 -8.418 -21.552 39.539 0.00 0.00 WAT1 ATOM 3349 H1 TIP3 659 -9.307 -21.452 39.199 0.00 0.00 WAT1 ATOM 3350 H2 TIP3 659 -8.122 -22.394 39.193 0.00 0.00 WAT1 ATOM 3351 OH2 TIP3 660 -6.924 -24.257 39.017 0.00 0.00 WAT1 ATOM 3352 H1 TIP3 660 -7.241 -25.159 38.982 0.00 0.00 WAT1 ATOM 3353 H2 TIP3 660 -6.143 -24.255 38.465 0.00 0.00 WAT1 ATOM 3354 OH2 TIP3 661 -2.756 -15.792 36.698 0.00 0.00 WAT1 ATOM 3355 H1 TIP3 661 -3.500 -16.299 36.375 0.00 0.00 WAT1 ATOM 3356 H2 TIP3 661 -2.890 -15.743 37.644 0.00 0.00 WAT1 ATOM 3357 OH2 TIP3 662 1.860 -21.111 36.558 0.00 0.00 WAT1 ATOM 3358 H1 TIP3 662 2.752 -21.248 36.877 0.00 0.00 WAT1 ATOM 3359 H2 TIP3 662 1.917 -20.320 36.021 0.00 0.00 WAT1 ATOM 3360 OH2 TIP3 663 -0.630 -14.333 35.723 0.00 0.00 WAT1 ATOM 3361 H1 TIP3 663 -0.925 -13.507 36.105 0.00 0.00 WAT1 ATOM 3362 H2 TIP3 663 -1.333 -14.953 35.919 0.00 0.00 WAT1 ATOM 3363 OH2 TIP3 664 6.745 -20.901 36.252 0.00 0.00 WAT1 ATOM 3364 H1 TIP3 664 6.191 -21.297 35.580 0.00 0.00 WAT1 ATOM 3365 H2 TIP3 664 6.846 -19.991 35.975 0.00 0.00 WAT1 ATOM 3366 OH2 TIP3 665 -3.829 -15.316 39.448 0.00 0.00 WAT1 ATOM 3367 H1 TIP3 665 -4.070 -14.391 39.490 0.00 0.00 WAT1 ATOM 3368 H2 TIP3 665 -4.569 -15.775 39.844 0.00 0.00 WAT1 ATOM 3369 OH2 TIP3 666 2.433 -14.139 34.538 0.00 0.00 WAT1 ATOM 3370 H1 TIP3 666 2.786 -14.519 35.342 0.00 0.00 WAT1 ATOM 3371 H2 TIP3 666 1.484 -14.232 34.624 0.00 0.00 WAT1 ATOM 3372 OH2 TIP3 667 3.299 -15.466 36.764 0.00 0.00 WAT1 ATOM 3373 H1 TIP3 667 3.022 -16.194 37.320 0.00 0.00 WAT1 ATOM 3374 H2 TIP3 667 4.226 -15.347 36.970 0.00 0.00 WAT1 ATOM 3375 OH2 TIP3 668 -3.476 -13.027 32.985 0.00 0.00 WAT1 ATOM 3376 H1 TIP3 668 -3.237 -13.775 32.437 0.00 0.00 WAT1 ATOM 3377 H2 TIP3 668 -3.745 -13.415 33.817 0.00 0.00 WAT1 ATOM 3378 OH2 TIP3 669 -4.539 -13.457 35.441 0.00 0.00 WAT1 ATOM 3379 H1 TIP3 669 -4.392 -13.977 36.231 0.00 0.00 WAT1 ATOM 3380 H2 TIP3 669 -4.542 -12.550 35.747 0.00 0.00 WAT1 ATOM 3381 OH2 TIP3 670 -8.086 -16.204 35.951 0.00 0.00 WAT1 ATOM 3382 H1 TIP3 670 -8.772 -15.852 36.518 0.00 0.00 WAT1 ATOM 3383 H2 TIP3 670 -7.563 -15.441 35.705 0.00 0.00 WAT1 ATOM 3384 OH2 TIP3 671 0.530 -23.890 37.327 0.00 0.00 WAT1 ATOM 3385 H1 TIP3 671 0.750 -23.418 36.524 0.00 0.00 WAT1 ATOM 3386 H2 TIP3 671 1.088 -23.495 37.998 0.00 0.00 WAT1 ATOM 3387 OH2 TIP3 672 -1.386 -25.081 39.100 0.00 0.00 WAT1 ATOM 3388 H1 TIP3 672 -1.733 -24.463 39.745 0.00 0.00 WAT1 ATOM 3389 H2 TIP3 672 -0.728 -24.580 38.619 0.00 0.00 WAT1 ATOM 3390 OH2 TIP3 673 -7.470 -13.590 34.848 0.00 0.00 WAT1 ATOM 3391 H1 TIP3 673 -6.878 -12.891 35.124 0.00 0.00 WAT1 ATOM 3392 H2 TIP3 673 -7.011 -14.023 34.129 0.00 0.00 WAT1 ATOM 3393 OH2 TIP3 674 -8.346 -26.144 42.637 0.00 0.00 WAT1 ATOM 3394 H1 TIP3 674 -8.575 -26.085 41.710 0.00 0.00 WAT1 ATOM 3395 H2 TIP3 674 -8.789 -26.936 42.944 0.00 0.00 WAT1 ATOM 3396 OH2 TIP3 675 -1.438 -11.164 33.123 0.00 0.00 WAT1 ATOM 3397 H1 TIP3 675 -2.082 -11.795 33.445 0.00 0.00 WAT1 ATOM 3398 H2 TIP3 675 -0.676 -11.695 32.891 0.00 0.00 WAT1 ATOM 3399 OH2 TIP3 676 3.166 -11.347 33.357 0.00 0.00 WAT1 ATOM 3400 H1 TIP3 676 3.449 -12.141 33.810 0.00 0.00 WAT1 ATOM 3401 H2 TIP3 676 3.906 -11.114 32.796 0.00 0.00 WAT1 ATOM 3402 OH2 TIP3 677 -5.879 -15.437 33.214 0.00 0.00 WAT1 ATOM 3403 H1 TIP3 677 -5.815 -16.231 33.745 0.00 0.00 WAT1 ATOM 3404 H2 TIP3 677 -5.226 -15.556 32.525 0.00 0.00 WAT1 ATOM 3405 OH2 TIP3 678 -0.527 -14.390 32.950 0.00 0.00 WAT1 ATOM 3406 H1 TIP3 678 -0.795 -14.210 33.851 0.00 0.00 WAT1 ATOM 3407 H2 TIP3 678 -0.733 -15.316 32.819 0.00 0.00 WAT1 ATOM 3408 OH2 TIP3 679 -4.730 -17.465 35.520 0.00 0.00 WAT1 ATOM 3409 H1 TIP3 679 -5.189 -17.949 36.206 0.00 0.00 WAT1 ATOM 3410 H2 TIP3 679 -4.475 -18.133 34.884 0.00 0.00 WAT1 ATOM 3411 OH2 TIP3 680 5.731 -16.867 33.228 0.00 0.00 WAT1 ATOM 3412 H1 TIP3 680 5.458 -17.292 32.415 0.00 0.00 WAT1 ATOM 3413 H2 TIP3 680 5.771 -15.936 33.011 0.00 0.00 WAT1 ATOM 3414 OH2 TIP3 681 -10.193 -13.895 34.267 0.00 0.00 WAT1 ATOM 3415 H1 TIP3 681 -9.279 -13.816 34.540 0.00 0.00 WAT1 ATOM 3416 H2 TIP3 681 -10.186 -14.582 33.600 0.00 0.00 WAT1 ATOM 3417 OH2 TIP3 682 6.852 -18.044 35.418 0.00 0.00 WAT1 ATOM 3418 H1 TIP3 682 6.331 -17.687 34.699 0.00 0.00 WAT1 ATOM 3419 H2 TIP3 682 6.819 -17.369 36.096 0.00 0.00 WAT1 ATOM 3420 OH2 TIP3 683 5.201 -20.804 33.969 0.00 0.00 WAT1 ATOM 3421 H1 TIP3 683 5.298 -20.137 33.289 0.00 0.00 WAT1 ATOM 3422 H2 TIP3 683 5.061 -21.620 33.487 0.00 0.00 WAT1 ATOM 3423 OH2 TIP3 684 4.081 -21.841 38.052 0.00 0.00 WAT1 ATOM 3424 H1 TIP3 684 4.361 -22.748 38.177 0.00 0.00 WAT1 ATOM 3425 H2 TIP3 684 4.840 -21.407 37.663 0.00 0.00 WAT1 ATOM 3426 OH2 TIP3 685 4.695 -24.578 38.101 0.00 0.00 WAT1 ATOM 3427 H1 TIP3 685 4.877 -25.027 38.926 0.00 0.00 WAT1 ATOM 3428 H2 TIP3 685 4.095 -25.163 37.637 0.00 0.00 WAT1 ATOM 3429 OH2 TIP3 686 -9.775 -23.763 42.632 0.00 0.00 WAT1 ATOM 3430 H1 TIP3 686 -9.330 -24.555 42.934 0.00 0.00 WAT1 ATOM 3431 H2 TIP3 686 -9.309 -23.047 43.063 0.00 0.00 WAT1 ATOM 3432 OH2 TIP3 687 6.561 -24.511 34.629 0.00 0.00 WAT1 ATOM 3433 H1 TIP3 687 6.974 -25.232 34.153 0.00 0.00 WAT1 ATOM 3434 H2 TIP3 687 7.243 -23.841 34.687 0.00 0.00 WAT1 ATOM 3435 OH2 TIP3 688 -8.718 -26.261 39.931 0.00 0.00 WAT1 ATOM 3436 H1 TIP3 688 -9.495 -26.495 39.423 0.00 0.00 WAT1 ATOM 3437 H2 TIP3 688 -8.187 -27.058 39.939 0.00 0.00 WAT1 ATOM 3438 OH2 TIP3 689 -4.138 -26.334 39.744 0.00 0.00 WAT1 ATOM 3439 H1 TIP3 689 -3.264 -25.946 39.714 0.00 0.00 WAT1 ATOM 3440 H2 TIP3 689 -4.274 -26.549 40.667 0.00 0.00 WAT1 ATOM 3441 OH2 TIP3 690 2.772 -26.278 37.086 0.00 0.00 WAT1 ATOM 3442 H1 TIP3 690 2.069 -25.664 36.876 0.00 0.00 WAT1 ATOM 3443 H2 TIP3 690 2.327 -27.116 37.217 0.00 0.00 WAT1 ATOM 3444 OH2 TIP3 691 -7.414 5.071 -13.132 0.00 0.00 WAT1 ATOM 3445 H1 TIP3 691 -7.784 4.269 -13.501 0.00 0.00 WAT1 ATOM 3446 H2 TIP3 691 -6.473 4.902 -13.085 0.00 0.00 WAT1 ATOM 3447 OH2 TIP3 692 -10.804 -1.269 -17.739 0.00 0.00 WAT1 ATOM 3448 H1 TIP3 692 -11.252 -0.423 -17.757 0.00 0.00 WAT1 ATOM 3449 H2 TIP3 692 -11.365 -1.849 -18.254 0.00 0.00 WAT1 ATOM 3450 OH2 TIP3 693 -6.021 -4.066 -15.254 0.00 0.00 WAT1 ATOM 3451 H1 TIP3 693 -5.978 -3.206 -15.672 0.00 0.00 WAT1 ATOM 3452 H2 TIP3 693 -6.479 -4.618 -15.887 0.00 0.00 WAT1 ATOM 3453 OH2 TIP3 694 -4.642 2.528 -10.892 0.00 0.00 WAT1 ATOM 3454 H1 TIP3 694 -5.382 3.126 -10.789 0.00 0.00 WAT1 ATOM 3455 H2 TIP3 694 -3.928 3.082 -11.208 0.00 0.00 WAT1 ATOM 3456 OH2 TIP3 695 -7.617 -3.256 -13.227 0.00 0.00 WAT1 ATOM 3457 H1 TIP3 695 -7.004 -2.623 -12.854 0.00 0.00 WAT1 ATOM 3458 H2 TIP3 695 -7.105 -3.728 -13.884 0.00 0.00 WAT1 ATOM 3459 OH2 TIP3 696 -6.234 4.492 -10.105 0.00 0.00 WAT1 ATOM 3460 H1 TIP3 696 -6.240 5.371 -10.483 0.00 0.00 WAT1 ATOM 3461 H2 TIP3 696 -7.088 4.409 -9.680 0.00 0.00 WAT1 ATOM 3462 OH2 TIP3 697 -3.185 -7.842 -13.727 0.00 0.00 WAT1 ATOM 3463 H1 TIP3 697 -3.302 -8.791 -13.781 0.00 0.00 WAT1 ATOM 3464 H2 TIP3 697 -4.040 -7.510 -13.454 0.00 0.00 WAT1 ATOM 3465 OH2 TIP3 698 -5.867 1.835 -16.392 0.00 0.00 WAT1 ATOM 3466 H1 TIP3 698 -6.197 1.465 -17.211 0.00 0.00 WAT1 ATOM 3467 H2 TIP3 698 -5.279 1.165 -16.046 0.00 0.00 WAT1 ATOM 3468 OH2 TIP3 699 -5.500 0.604 -12.759 0.00 0.00 WAT1 ATOM 3469 H1 TIP3 699 -4.935 0.725 -13.522 0.00 0.00 WAT1 ATOM 3470 H2 TIP3 699 -5.181 1.241 -12.120 0.00 0.00 WAT1 ATOM 3471 OH2 TIP3 700 -4.620 5.003 -8.042 0.00 0.00 WAT1 ATOM 3472 H1 TIP3 700 -4.932 5.785 -7.586 0.00 0.00 WAT1 ATOM 3473 H2 TIP3 700 -5.270 4.850 -8.728 0.00 0.00 WAT1 ATOM 3474 OH2 TIP3 701 -7.700 1.201 -8.813 0.00 0.00 WAT1 ATOM 3475 H1 TIP3 701 -7.630 1.852 -8.115 0.00 0.00 WAT1 ATOM 3476 H2 TIP3 701 -8.591 1.304 -9.148 0.00 0.00 WAT1 ATOM 3477 OH2 TIP3 702 -6.381 7.075 -7.278 0.00 0.00 WAT1 ATOM 3478 H1 TIP3 702 -6.373 6.939 -8.226 0.00 0.00 WAT1 ATOM 3479 H2 TIP3 702 -7.297 6.957 -7.026 0.00 0.00 WAT1 ATOM 3480 OH2 TIP3 703 -11.033 6.048 -13.104 0.00 0.00 WAT1 ATOM 3481 H1 TIP3 703 -10.087 5.904 -13.123 0.00 0.00 WAT1 ATOM 3482 H2 TIP3 703 -11.146 6.832 -12.567 0.00 0.00 WAT1 ATOM 3483 OH2 TIP3 704 -8.535 4.591 -8.945 0.00 0.00 WAT1 ATOM 3484 H1 TIP3 704 -8.318 4.230 -8.085 0.00 0.00 WAT1 ATOM 3485 H2 TIP3 704 -9.390 4.217 -9.155 0.00 0.00 WAT1 ATOM 3486 OH2 TIP3 705 -1.253 -7.217 -9.575 0.00 0.00 WAT1 ATOM 3487 H1 TIP3 705 -0.833 -7.632 -8.822 0.00 0.00 WAT1 ATOM 3488 H2 TIP3 705 -2.186 -7.395 -9.458 0.00 0.00 WAT1 ATOM 3489 OH2 TIP3 706 -5.825 -1.973 -11.854 0.00 0.00 WAT1 ATOM 3490 H1 TIP3 706 -6.467 -2.014 -11.145 0.00 0.00 WAT1 ATOM 3491 H2 TIP3 706 -5.788 -1.047 -12.092 0.00 0.00 WAT1 ATOM 3492 OH2 TIP3 707 -5.828 -1.752 -16.942 0.00 0.00 WAT1 ATOM 3493 H1 TIP3 707 -6.721 -2.093 -17.001 0.00 0.00 WAT1 ATOM 3494 H2 TIP3 707 -5.377 -2.129 -17.698 0.00 0.00 WAT1 ATOM 3495 OH2 TIP3 708 -11.467 -4.537 -16.137 0.00 0.00 WAT1 ATOM 3496 H1 TIP3 708 -10.836 -4.566 -15.417 0.00 0.00 WAT1 ATOM 3497 H2 TIP3 708 -11.017 -4.962 -16.867 0.00 0.00 WAT1 ATOM 3498 OH2 TIP3 709 -3.246 -4.325 -15.856 0.00 0.00 WAT1 ATOM 3499 H1 TIP3 709 -4.157 -4.268 -15.567 0.00 0.00 WAT1 ATOM 3500 H2 TIP3 709 -2.741 -4.385 -15.045 0.00 0.00 WAT1 ATOM 3501 OH2 TIP3 710 -8.418 -2.696 -17.029 0.00 0.00 WAT1 ATOM 3502 H1 TIP3 710 -9.307 -2.596 -17.369 0.00 0.00 WAT1 ATOM 3503 H2 TIP3 710 -8.122 -3.538 -17.375 0.00 0.00 WAT1 ATOM 3504 OH2 TIP3 711 -7.956 3.056 -6.707 0.00 0.00 WAT1 ATOM 3505 H1 TIP3 711 -7.223 3.310 -6.146 0.00 0.00 WAT1 ATOM 3506 H2 TIP3 711 -8.736 3.260 -6.192 0.00 0.00 WAT1 ATOM 3507 OH2 TIP3 712 -6.924 -5.401 -17.551 0.00 0.00 WAT1 ATOM 3508 H1 TIP3 712 -7.241 -6.303 -17.586 0.00 0.00 WAT1 ATOM 3509 H2 TIP3 712 -6.143 -5.399 -18.103 0.00 0.00 WAT1 ATOM 3510 OH2 TIP3 713 -3.300 -3.149 -11.555 0.00 0.00 WAT1 ATOM 3511 H1 TIP3 713 -4.135 -2.695 -11.445 0.00 0.00 WAT1 ATOM 3512 H2 TIP3 713 -2.776 -2.873 -10.803 0.00 0.00 WAT1 ATOM 3513 OH2 TIP3 714 -7.631 2.359 -14.101 0.00 0.00 WAT1 ATOM 3514 H1 TIP3 714 -6.886 2.357 -14.702 0.00 0.00 WAT1 ATOM 3515 H2 TIP3 714 -7.553 1.535 -13.619 0.00 0.00 WAT1 ATOM 3516 OH2 TIP3 715 -9.338 7.378 -10.793 0.00 0.00 WAT1 ATOM 3517 H1 TIP3 715 -9.121 6.446 -10.824 0.00 0.00 WAT1 ATOM 3518 H2 TIP3 715 -9.091 7.652 -9.909 0.00 0.00 WAT1 ATOM 3519 OH2 TIP3 716 -0.254 -4.686 -10.338 0.00 0.00 WAT1 ATOM 3520 H1 TIP3 716 0.444 -4.612 -9.688 0.00 0.00 WAT1 ATOM 3521 H2 TIP3 716 -0.635 -5.550 -10.183 0.00 0.00 WAT1 ATOM 3522 OH2 TIP3 717 -1.734 -2.320 -9.221 0.00 0.00 WAT1 ATOM 3523 H1 TIP3 717 -1.615 -1.746 -8.464 0.00 0.00 WAT1 ATOM 3524 H2 TIP3 717 -1.079 -3.008 -9.106 0.00 0.00 WAT1 ATOM 3525 OH2 TIP3 718 -8.346 -7.288 -13.931 0.00 0.00 WAT1 ATOM 3526 H1 TIP3 718 -8.575 -7.229 -14.858 0.00 0.00 WAT1 ATOM 3527 H2 TIP3 718 -8.789 -8.080 -13.624 0.00 0.00 WAT1 ATOM 3528 OH2 TIP3 719 -5.530 8.184 -4.820 0.00 0.00 WAT1 ATOM 3529 H1 TIP3 719 -4.762 7.725 -4.479 0.00 0.00 WAT1 ATOM 3530 H2 TIP3 719 -5.551 7.958 -5.750 0.00 0.00 WAT1 ATOM 3531 OH2 TIP3 720 -3.565 3.045 -6.053 0.00 0.00 WAT1 ATOM 3532 H1 TIP3 720 -3.893 3.316 -6.911 0.00 0.00 WAT1 ATOM 3533 H2 TIP3 720 -3.413 2.104 -6.141 0.00 0.00 WAT1 ATOM 3534 OH2 TIP3 721 -9.388 0.275 -6.066 0.00 0.00 WAT1 ATOM 3535 H1 TIP3 721 -8.980 -0.582 -6.187 0.00 0.00 WAT1 ATOM 3536 H2 TIP3 721 -9.648 0.290 -5.145 0.00 0.00 WAT1 ATOM 3537 OH2 TIP3 722 -5.441 -0.716 -8.692 0.00 0.00 WAT1 ATOM 3538 H1 TIP3 722 -6.059 -0.041 -8.411 0.00 0.00 WAT1 ATOM 3539 H2 TIP3 722 -5.097 -0.395 -9.525 0.00 0.00 WAT1 ATOM 3540 OH2 TIP3 723 -5.101 -3.361 -7.609 0.00 0.00 WAT1 ATOM 3541 H1 TIP3 723 -4.951 -4.090 -8.212 0.00 0.00 WAT1 ATOM 3542 H2 TIP3 723 -5.099 -2.584 -8.168 0.00 0.00 WAT1 ATOM 3543 OH2 TIP3 724 -6.623 -2.163 -5.698 0.00 0.00 WAT1 ATOM 3544 H1 TIP3 724 -7.390 -2.695 -5.908 0.00 0.00 WAT1 ATOM 3545 H2 TIP3 724 -5.944 -2.473 -6.297 0.00 0.00 WAT1 ATOM 3546 OH2 TIP3 725 -3.883 -7.535 -9.685 0.00 0.00 WAT1 ATOM 3547 H1 TIP3 725 -3.981 -6.588 -9.791 0.00 0.00 WAT1 ATOM 3548 H2 TIP3 725 -4.626 -7.907 -10.161 0.00 0.00 WAT1 ATOM 3549 OH2 TIP3 726 -2.619 -3.213 -6.122 0.00 0.00 WAT1 ATOM 3550 H1 TIP3 726 -2.855 -3.433 -5.220 0.00 0.00 WAT1 ATOM 3551 H2 TIP3 726 -3.402 -3.420 -6.631 0.00 0.00 WAT1 ATOM 3552 OH2 TIP3 727 -3.661 -8.241 -7.014 0.00 0.00 WAT1 ATOM 3553 H1 TIP3 727 -2.949 -8.881 -7.028 0.00 0.00 WAT1 ATOM 3554 H2 TIP3 727 -3.762 -7.974 -7.928 0.00 0.00 WAT1 ATOM 3555 OH2 TIP3 728 -3.308 -6.558 -4.960 0.00 0.00 WAT1 ATOM 3556 H1 TIP3 728 -3.439 -7.034 -5.781 0.00 0.00 WAT1 ATOM 3557 H2 TIP3 728 -3.907 -5.814 -5.016 0.00 0.00 WAT1 ATOM 3558 OH2 TIP3 729 -9.775 -4.907 -13.936 0.00 0.00 WAT1 ATOM 3559 H1 TIP3 729 -9.330 -5.699 -13.634 0.00 0.00 WAT1 ATOM 3560 H2 TIP3 729 -9.309 -4.191 -13.505 0.00 0.00 WAT1 ATOM 3561 OH2 TIP3 730 -6.048 7.238 -10.065 0.00 0.00 WAT1 ATOM 3562 H1 TIP3 730 -6.473 8.047 -10.348 0.00 0.00 WAT1 ATOM 3563 H2 TIP3 730 -5.143 7.323 -10.367 0.00 0.00 WAT1 ATOM 3564 OH2 TIP3 731 -8.646 10.494 -10.018 0.00 0.00 WAT1 ATOM 3565 H1 TIP3 731 -9.366 10.934 -10.469 0.00 0.00 WAT1 ATOM 3566 H2 TIP3 731 -9.012 10.243 -9.169 0.00 0.00 WAT1 ATOM 3567 OH2 TIP3 732 -8.718 -7.405 -16.637 0.00 0.00 WAT1 ATOM 3568 H1 TIP3 732 -9.495 -7.639 -17.145 0.00 0.00 WAT1 ATOM 3569 H2 TIP3 732 -8.187 -8.202 -16.629 0.00 0.00 WAT1 ATOM 3570 OH2 TIP3 733 1.635 -8.208 -5.402 0.00 0.00 WAT1 ATOM 3571 H1 TIP3 733 1.711 -8.634 -4.548 0.00 0.00 WAT1 ATOM 3572 H2 TIP3 733 2.528 -8.194 -5.744 0.00 0.00 WAT1 ATOM 3573 OH2 TIP3 734 -10.804 -1.269 1.117 0.00 0.00 WAT1 ATOM 3574 H1 TIP3 734 -11.252 -0.423 1.099 0.00 0.00 WAT1 ATOM 3575 H2 TIP3 734 -11.365 -1.849 0.602 0.00 0.00 WAT1 ATOM 3576 OH2 TIP3 735 -6.021 -4.066 3.602 0.00 0.00 WAT1 ATOM 3577 H1 TIP3 735 -5.978 -3.206 3.184 0.00 0.00 WAT1 ATOM 3578 H2 TIP3 735 -6.479 -4.618 2.969 0.00 0.00 WAT1 ATOM 3579 OH2 TIP3 736 -9.401 -1.669 4.364 0.00 0.00 WAT1 ATOM 3580 H1 TIP3 736 -8.747 -2.219 4.796 0.00 0.00 WAT1 ATOM 3581 H2 TIP3 736 -9.377 -1.943 3.448 0.00 0.00 WAT1 ATOM 3582 OH2 TIP3 737 -7.211 -5.148 7.676 0.00 0.00 WAT1 ATOM 3583 H1 TIP3 737 -7.430 -4.618 6.910 0.00 0.00 WAT1 ATOM 3584 H2 TIP3 737 -7.879 -4.921 8.324 0.00 0.00 WAT1 ATOM 3585 OH2 TIP3 738 -7.617 -3.256 5.629 0.00 0.00 WAT1 ATOM 3586 H1 TIP3 738 -7.004 -2.623 6.002 0.00 0.00 WAT1 ATOM 3587 H2 TIP3 738 -7.105 -3.728 4.972 0.00 0.00 WAT1 ATOM 3588 OH2 TIP3 739 -3.185 -7.842 5.129 0.00 0.00 WAT1 ATOM 3589 H1 TIP3 739 -3.302 -8.791 5.075 0.00 0.00 WAT1 ATOM 3590 H2 TIP3 739 -4.040 -7.510 5.402 0.00 0.00 WAT1 ATOM 3591 OH2 TIP3 740 -6.877 0.905 0.053 0.00 0.00 WAT1 ATOM 3592 H1 TIP3 740 -7.169 1.673 -0.438 0.00 0.00 WAT1 ATOM 3593 H2 TIP3 740 -7.551 0.245 -0.110 0.00 0.00 WAT1 ATOM 3594 OH2 TIP3 741 -7.789 8.849 1.897 0.00 0.00 WAT1 ATOM 3595 H1 TIP3 741 -7.637 8.501 2.776 0.00 0.00 WAT1 ATOM 3596 H2 TIP3 741 -8.640 8.493 1.642 0.00 0.00 WAT1 ATOM 3597 OH2 TIP3 742 -5.916 -6.939 5.907 0.00 0.00 WAT1 ATOM 3598 H1 TIP3 742 -6.777 -7.026 5.499 0.00 0.00 WAT1 ATOM 3599 H2 TIP3 742 -5.938 -6.083 6.334 0.00 0.00 WAT1 ATOM 3600 OH2 TIP3 743 -1.253 -7.217 9.281 0.00 0.00 WAT1 ATOM 3601 H1 TIP3 743 -0.833 -7.632 10.034 0.00 0.00 WAT1 ATOM 3602 H2 TIP3 743 -2.186 -7.395 9.398 0.00 0.00 WAT1 ATOM 3603 OH2 TIP3 744 -1.591 -4.724 -3.434 0.00 0.00 WAT1 ATOM 3604 H1 TIP3 744 -1.845 -4.705 -2.511 0.00 0.00 WAT1 ATOM 3605 H2 TIP3 744 -1.848 -5.596 -3.735 0.00 0.00 WAT1 ATOM 3606 OH2 TIP3 745 -5.828 -1.752 1.914 0.00 0.00 WAT1 ATOM 3607 H1 TIP3 745 -6.721 -2.093 1.855 0.00 0.00 WAT1 ATOM 3608 H2 TIP3 745 -5.377 -2.129 1.158 0.00 0.00 WAT1 ATOM 3609 OH2 TIP3 746 -4.709 -4.279 -4.333 0.00 0.00 WAT1 ATOM 3610 H1 TIP3 746 -5.140 -4.724 -3.603 0.00 0.00 WAT1 ATOM 3611 H2 TIP3 746 -5.427 -3.907 -4.845 0.00 0.00 WAT1 ATOM 3612 OH2 TIP3 747 -11.467 -4.537 2.719 0.00 0.00 WAT1 ATOM 3613 H1 TIP3 747 -10.836 -4.566 3.439 0.00 0.00 WAT1 ATOM 3614 H2 TIP3 747 -11.017 -4.962 1.989 0.00 0.00 WAT1 ATOM 3615 OH2 TIP3 748 -8.418 -2.696 1.827 0.00 0.00 WAT1 ATOM 3616 H1 TIP3 748 -9.307 -2.596 1.487 0.00 0.00 WAT1 ATOM 3617 H2 TIP3 748 -8.122 -3.538 1.481 0.00 0.00 WAT1 ATOM 3618 OH2 TIP3 749 -4.765 -2.696 -0.517 0.00 0.00 WAT1 ATOM 3619 H1 TIP3 749 -3.833 -2.567 -0.339 0.00 0.00 WAT1 ATOM 3620 H2 TIP3 749 -4.980 -2.026 -1.166 0.00 0.00 WAT1 ATOM 3621 OH2 TIP3 750 -6.091 -1.501 -2.950 0.00 0.00 WAT1 ATOM 3622 H1 TIP3 750 -6.633 -1.881 -3.641 0.00 0.00 WAT1 ATOM 3623 H2 TIP3 750 -5.257 -1.307 -3.379 0.00 0.00 WAT1 ATOM 3624 OH2 TIP3 751 -2.756 3.064 -1.014 0.00 0.00 WAT1 ATOM 3625 H1 TIP3 751 -3.500 2.557 -1.337 0.00 0.00 WAT1 ATOM 3626 H2 TIP3 751 -2.890 3.113 -0.068 0.00 0.00 WAT1 ATOM 3627 OH2 TIP3 752 -5.256 5.877 2.160 0.00 0.00 WAT1 ATOM 3628 H1 TIP3 752 -4.729 6.650 1.959 0.00 0.00 WAT1 ATOM 3629 H2 TIP3 752 -6.136 6.102 1.858 0.00 0.00 WAT1 ATOM 3630 OH2 TIP3 753 -9.501 0.739 -3.253 0.00 0.00 WAT1 ATOM 3631 H1 TIP3 753 -8.885 1.366 -2.874 0.00 0.00 WAT1 ATOM 3632 H2 TIP3 753 -10.363 1.055 -2.982 0.00 0.00 WAT1 ATOM 3633 OH2 TIP3 754 -5.145 8.562 1.281 0.00 0.00 WAT1 ATOM 3634 H1 TIP3 754 -6.095 8.667 1.333 0.00 0.00 WAT1 ATOM 3635 H2 TIP3 754 -4.794 9.382 1.626 0.00 0.00 WAT1 ATOM 3636 OH2 TIP3 755 -8.989 -4.427 9.628 0.00 0.00 WAT1 ATOM 3637 H1 TIP3 755 -9.882 -4.088 9.561 0.00 0.00 WAT1 ATOM 3638 H2 TIP3 755 -9.088 -5.282 10.046 0.00 0.00 WAT1 ATOM 3639 OH2 TIP3 756 -3.476 5.829 -4.727 0.00 0.00 WAT1 ATOM 3640 H1 TIP3 756 -3.237 5.081 -5.275 0.00 0.00 WAT1 ATOM 3641 H2 TIP3 756 -3.745 5.441 -3.895 0.00 0.00 WAT1 ATOM 3642 OH2 TIP3 757 -4.539 5.399 -2.271 0.00 0.00 WAT1 ATOM 3643 H1 TIP3 757 -4.392 4.879 -1.481 0.00 0.00 WAT1 ATOM 3644 H2 TIP3 757 -4.542 6.306 -1.965 0.00 0.00 WAT1 ATOM 3645 OH2 TIP3 758 -8.086 2.652 -1.761 0.00 0.00 WAT1 ATOM 3646 H1 TIP3 758 -8.772 3.004 -1.194 0.00 0.00 WAT1 ATOM 3647 H2 TIP3 758 -7.563 3.415 -2.007 0.00 0.00 WAT1 ATOM 3648 OH2 TIP3 759 -1.801 7.097 -1.522 0.00 0.00 WAT1 ATOM 3649 H1 TIP3 759 -2.618 7.594 -1.469 0.00 0.00 WAT1 ATOM 3650 H2 TIP3 759 -1.272 7.572 -2.162 0.00 0.00 WAT1 ATOM 3651 OH2 TIP3 760 -1.386 -6.225 1.388 0.00 0.00 WAT1 ATOM 3652 H1 TIP3 760 -1.733 -5.607 2.033 0.00 0.00 WAT1 ATOM 3653 H2 TIP3 760 -0.728 -5.724 0.907 0.00 0.00 WAT1 ATOM 3654 OH2 TIP3 761 -4.463 8.140 -1.540 0.00 0.00 WAT1 ATOM 3655 H1 TIP3 761 -4.302 8.940 -2.041 0.00 0.00 WAT1 ATOM 3656 H2 TIP3 761 -4.660 8.447 -0.655 0.00 0.00 WAT1 ATOM 3657 OH2 TIP3 762 -8.346 -7.288 4.925 0.00 0.00 WAT1 ATOM 3658 H1 TIP3 762 -8.575 -7.229 3.998 0.00 0.00 WAT1 ATOM 3659 H2 TIP3 762 -8.789 -8.080 5.232 0.00 0.00 WAT1 ATOM 3660 OH2 TIP3 763 -9.416 6.652 1.086 0.00 0.00 WAT1 ATOM 3661 H1 TIP3 763 -10.248 7.125 1.113 0.00 0.00 WAT1 ATOM 3662 H2 TIP3 763 -8.870 7.162 0.487 0.00 0.00 WAT1 ATOM 3663 OH2 TIP3 764 -5.879 3.419 -4.498 0.00 0.00 WAT1 ATOM 3664 H1 TIP3 764 -5.815 2.625 -3.967 0.00 0.00 WAT1 ATOM 3665 H2 TIP3 764 -5.226 3.300 -5.187 0.00 0.00 WAT1 ATOM 3666 OH2 TIP3 765 -4.730 1.391 -2.192 0.00 0.00 WAT1 ATOM 3667 H1 TIP3 765 -5.189 0.907 -1.506 0.00 0.00 WAT1 ATOM 3668 H2 TIP3 765 -4.475 0.723 -2.828 0.00 0.00 WAT1 ATOM 3669 OH2 TIP3 766 -5.101 -3.361 11.247 0.00 0.00 WAT1 ATOM 3670 H1 TIP3 766 -4.951 -4.090 10.644 0.00 0.00 WAT1 ATOM 3671 H2 TIP3 766 -5.099 -2.584 10.688 0.00 0.00 WAT1 ATOM 3672 OH2 TIP3 767 -4.689 -4.991 8.739 0.00 0.00 WAT1 ATOM 3673 H1 TIP3 767 -4.153 -4.540 8.087 0.00 0.00 WAT1 ATOM 3674 H2 TIP3 767 -5.541 -5.099 8.317 0.00 0.00 WAT1 ATOM 3675 OH2 TIP3 768 -6.623 -2.163 13.158 0.00 0.00 WAT1 ATOM 3676 H1 TIP3 768 -7.390 -2.695 12.948 0.00 0.00 WAT1 ATOM 3677 H2 TIP3 768 -5.944 -2.473 12.559 0.00 0.00 WAT1 ATOM 3678 OH2 TIP3 769 -3.883 -7.535 9.171 0.00 0.00 WAT1 ATOM 3679 H1 TIP3 769 -3.981 -6.588 9.065 0.00 0.00 WAT1 ATOM 3680 H2 TIP3 769 -4.626 -7.907 8.695 0.00 0.00 WAT1 ATOM 3681 OH2 TIP3 770 -2.619 -3.213 12.734 0.00 0.00 WAT1 ATOM 3682 H1 TIP3 770 -2.855 -3.433 13.636 0.00 0.00 WAT1 ATOM 3683 H2 TIP3 770 -3.402 -3.420 12.225 0.00 0.00 WAT1 ATOM 3684 OH2 TIP3 771 1.731 -5.452 13.815 0.00 0.00 WAT1 ATOM 3685 H1 TIP3 771 1.634 -6.404 13.809 0.00 0.00 WAT1 ATOM 3686 H2 TIP3 771 1.409 -5.183 14.676 0.00 0.00 WAT1 ATOM 3687 OH2 TIP3 772 -8.442 -4.242 12.863 0.00 0.00 WAT1 ATOM 3688 H1 TIP3 772 -8.231 -4.949 12.252 0.00 0.00 WAT1 ATOM 3689 H2 TIP3 772 -8.554 -4.680 13.707 0.00 0.00 WAT1 ATOM 3690 OH2 TIP3 773 -3.661 -8.241 11.842 0.00 0.00 WAT1 ATOM 3691 H1 TIP3 773 -2.949 -8.881 11.828 0.00 0.00 WAT1 ATOM 3692 H2 TIP3 773 -3.762 -7.974 10.928 0.00 0.00 WAT1 ATOM 3693 OH2 TIP3 774 -3.308 -6.558 13.896 0.00 0.00 WAT1 ATOM 3694 H1 TIP3 774 -3.439 -7.034 13.075 0.00 0.00 WAT1 ATOM 3695 H2 TIP3 774 -3.907 -5.814 13.840 0.00 0.00 WAT1 ATOM 3696 OH2 TIP3 775 -3.761 10.325 -2.928 0.00 0.00 WAT1 ATOM 3697 H1 TIP3 775 -2.828 10.483 -2.784 0.00 0.00 WAT1 ATOM 3698 H2 TIP3 775 -4.025 11.000 -3.553 0.00 0.00 WAT1 ATOM 3699 OH2 TIP3 776 -11.544 10.354 1.632 0.00 0.00 WAT1 ATOM 3700 H1 TIP3 776 -12.191 9.892 1.099 0.00 0.00 WAT1 ATOM 3701 H2 TIP3 776 -11.189 9.682 2.215 0.00 0.00 WAT1 ATOM 3702 OH2 TIP3 777 -10.674 8.435 3.437 0.00 0.00 WAT1 ATOM 3703 H1 TIP3 777 -11.008 7.554 3.609 0.00 0.00 WAT1 ATOM 3704 H2 TIP3 777 -10.452 8.780 4.301 0.00 0.00 WAT1 ATOM 3705 OH2 TIP3 778 -10.996 -3.219 12.029 0.00 0.00 WAT1 ATOM 3706 H1 TIP3 778 -10.077 -3.341 12.265 0.00 0.00 WAT1 ATOM 3707 H2 TIP3 778 -11.446 -3.969 12.418 0.00 0.00 WAT1 ATOM 3708 OH2 TIP3 779 7.005 -7.687 13.906 0.00 0.00 WAT1 ATOM 3709 H1 TIP3 779 7.355 -8.341 13.300 0.00 0.00 WAT1 ATOM 3710 H2 TIP3 779 7.152 -6.850 13.466 0.00 0.00 WAT1 ATOM 3711 OH2 TIP3 780 -9.775 -4.907 4.920 0.00 0.00 WAT1 ATOM 3712 H1 TIP3 780 -9.330 -5.699 5.222 0.00 0.00 WAT1 ATOM 3713 H2 TIP3 780 -9.309 -4.191 5.351 0.00 0.00 WAT1 ATOM 3714 OH2 TIP3 781 6.525 -5.578 12.255 0.00 0.00 WAT1 ATOM 3715 H1 TIP3 781 5.608 -5.307 12.219 0.00 0.00 WAT1 ATOM 3716 H2 TIP3 781 6.648 -6.113 11.471 0.00 0.00 WAT1 ATOM 3717 OH2 TIP3 782 -11.194 -6.912 8.388 0.00 0.00 WAT1 ATOM 3718 H1 TIP3 782 -11.859 -7.158 9.031 0.00 0.00 WAT1 ATOM 3719 H2 TIP3 782 -11.637 -6.290 7.811 0.00 0.00 WAT1 ATOM 3720 OH2 TIP3 783 5.526 -7.488 10.074 0.00 0.00 WAT1 ATOM 3721 H1 TIP3 783 4.713 -7.163 9.686 0.00 0.00 WAT1 ATOM 3722 H2 TIP3 783 5.759 -8.248 9.541 0.00 0.00 WAT1 ATOM 3723 OH2 TIP3 784 -1.044 -6.039 4.397 0.00 0.00 WAT1 ATOM 3724 H1 TIP3 784 -1.719 -6.668 4.652 0.00 0.00 WAT1 ATOM 3725 H2 TIP3 784 -0.480 -6.523 3.794 0.00 0.00 WAT1 ATOM 3726 OH2 TIP3 785 -4.138 -7.478 2.032 0.00 0.00 WAT1 ATOM 3727 H1 TIP3 785 -3.264 -7.090 2.002 0.00 0.00 WAT1 ATOM 3728 H2 TIP3 785 -4.274 -7.693 2.955 0.00 0.00 WAT1 ATOM 3729 OH2 TIP3 786 1.419 -7.448 3.681 0.00 0.00 WAT1 ATOM 3730 H1 TIP3 786 1.495 -7.353 2.732 0.00 0.00 WAT1 ATOM 3731 H2 TIP3 786 1.143 -8.356 3.810 0.00 0.00 WAT1 ATOM 3732 OH2 TIP3 787 -2.994 -5.398 -1.078 0.00 0.00 WAT1 ATOM 3733 H1 TIP3 787 -2.816 -6.044 -0.395 0.00 0.00 WAT1 ATOM 3734 H2 TIP3 787 -3.048 -4.564 -0.611 0.00 0.00 WAT1 ATOM 3735 OH2 TIP3 788 -8.760 -6.891 11.736 0.00 0.00 WAT1 ATOM 3736 H1 TIP3 788 -9.126 -7.656 12.179 0.00 0.00 WAT1 ATOM 3737 H2 TIP3 788 -7.847 -6.862 12.023 0.00 0.00 WAT1 ATOM 3738 OH2 TIP3 789 1.635 -8.208 13.454 0.00 0.00 WAT1 ATOM 3739 H1 TIP3 789 1.711 -8.634 14.308 0.00 0.00 WAT1 ATOM 3740 H2 TIP3 789 2.528 -8.194 13.112 0.00 0.00 WAT1 ATOM 3741 OH2 TIP3 790 6.346 -4.960 25.719 0.00 0.00 WAT1 ATOM 3742 H1 TIP3 790 6.395 -4.350 26.455 0.00 0.00 WAT1 ATOM 3743 H2 TIP3 790 6.772 -4.499 24.996 0.00 0.00 WAT1 ATOM 3744 OH2 TIP3 791 0.824 -2.167 25.186 0.00 0.00 WAT1 ATOM 3745 H1 TIP3 791 0.967 -3.114 25.206 0.00 0.00 WAT1 ATOM 3746 H2 TIP3 791 0.718 -1.960 24.257 0.00 0.00 WAT1 ATOM 3747 OH2 TIP3 792 1.701 -3.935 20.859 0.00 0.00 WAT1 ATOM 3748 H1 TIP3 792 2.347 -4.264 21.484 0.00 0.00 WAT1 ATOM 3749 H2 TIP3 792 2.211 -3.417 20.236 0.00 0.00 WAT1 ATOM 3750 OH2 TIP3 793 3.465 -4.644 22.840 0.00 0.00 WAT1 ATOM 3751 H1 TIP3 793 3.250 -5.410 23.372 0.00 0.00 WAT1 ATOM 3752 H2 TIP3 793 4.121 -4.172 23.353 0.00 0.00 WAT1 ATOM 3753 OH2 TIP3 794 3.812 -5.929 26.519 0.00 0.00 WAT1 ATOM 3754 H1 TIP3 794 3.076 -5.318 26.481 0.00 0.00 WAT1 ATOM 3755 H2 TIP3 794 4.496 -5.514 25.993 0.00 0.00 WAT1 ATOM 3756 OH2 TIP3 795 -3.185 -7.842 23.985 0.00 0.00 WAT1 ATOM 3757 H1 TIP3 795 -3.302 -8.791 23.931 0.00 0.00 WAT1 ATOM 3758 H2 TIP3 795 -4.040 -7.510 24.258 0.00 0.00 WAT1 ATOM 3759 OH2 TIP3 796 -5.916 -6.939 24.763 0.00 0.00 WAT1 ATOM 3760 H1 TIP3 796 -6.777 -7.026 24.355 0.00 0.00 WAT1 ATOM 3761 H2 TIP3 796 -5.938 -6.083 25.190 0.00 0.00 WAT1 ATOM 3762 OH2 TIP3 797 -1.253 -7.217 28.137 0.00 0.00 WAT1 ATOM 3763 H1 TIP3 797 -0.833 -7.632 28.890 0.00 0.00 WAT1 ATOM 3764 H2 TIP3 797 -2.186 -7.395 28.254 0.00 0.00 WAT1 ATOM 3765 OH2 TIP3 798 -1.591 -4.724 15.422 0.00 0.00 WAT1 ATOM 3766 H1 TIP3 798 -1.845 -4.705 16.345 0.00 0.00 WAT1 ATOM 3767 H2 TIP3 798 -1.848 -5.596 15.121 0.00 0.00 WAT1 ATOM 3768 OH2 TIP3 799 -0.292 -1.336 19.587 0.00 0.00 WAT1 ATOM 3769 H1 TIP3 799 -0.701 -0.521 19.295 0.00 0.00 WAT1 ATOM 3770 H2 TIP3 799 0.428 -1.476 18.972 0.00 0.00 WAT1 ATOM 3771 OH2 TIP3 800 0.712 -1.890 22.401 0.00 0.00 WAT1 ATOM 3772 H1 TIP3 800 0.517 -1.285 21.686 0.00 0.00 WAT1 ATOM 3773 H2 TIP3 800 0.894 -2.724 21.966 0.00 0.00 WAT1 ATOM 3774 OH2 TIP3 801 -4.709 -4.279 14.523 0.00 0.00 WAT1 ATOM 3775 H1 TIP3 801 -5.140 -4.724 15.253 0.00 0.00 WAT1 ATOM 3776 H2 TIP3 801 -5.427 -3.907 14.011 0.00 0.00 WAT1 ATOM 3777 OH2 TIP3 802 -10.192 -3.791 16.999 0.00 0.00 WAT1 ATOM 3778 H1 TIP3 802 -9.718 -3.200 16.414 0.00 0.00 WAT1 ATOM 3779 H2 TIP3 802 -10.910 -3.260 17.346 0.00 0.00 WAT1 ATOM 3780 OH2 TIP3 803 -3.246 -4.325 21.856 0.00 0.00 WAT1 ATOM 3781 H1 TIP3 803 -4.157 -4.268 22.145 0.00 0.00 WAT1 ATOM 3782 H2 TIP3 803 -2.741 -4.385 22.667 0.00 0.00 WAT1 ATOM 3783 OH2 TIP3 804 -4.765 -2.696 18.339 0.00 0.00 WAT1 ATOM 3784 H1 TIP3 804 -3.833 -2.567 18.517 0.00 0.00 WAT1 ATOM 3785 H2 TIP3 804 -4.980 -2.026 17.690 0.00 0.00 WAT1 ATOM 3786 OH2 TIP3 805 1.159 -5.090 25.120 0.00 0.00 WAT1 ATOM 3787 H1 TIP3 805 0.482 -4.959 25.784 0.00 0.00 WAT1 ATOM 3788 H2 TIP3 805 0.673 -5.245 24.310 0.00 0.00 WAT1 ATOM 3789 OH2 TIP3 806 -6.091 -1.501 15.906 0.00 0.00 WAT1 ATOM 3790 H1 TIP3 806 -6.633 -1.881 15.215 0.00 0.00 WAT1 ATOM 3791 H2 TIP3 806 -5.257 -1.307 15.477 0.00 0.00 WAT1 ATOM 3792 OH2 TIP3 807 -1.926 -1.537 23.743 0.00 0.00 WAT1 ATOM 3793 H1 TIP3 807 -1.362 -2.084 23.196 0.00 0.00 WAT1 ATOM 3794 H2 TIP3 807 -2.074 -2.059 24.532 0.00 0.00 WAT1 ATOM 3795 OH2 TIP3 808 -6.924 -5.401 20.161 0.00 0.00 WAT1 ATOM 3796 H1 TIP3 808 -7.241 -6.303 20.126 0.00 0.00 WAT1 ATOM 3797 H2 TIP3 808 -6.143 -5.399 19.609 0.00 0.00 WAT1 ATOM 3798 OH2 TIP3 809 -3.300 -3.149 26.157 0.00 0.00 WAT1 ATOM 3799 H1 TIP3 809 -4.135 -2.695 26.267 0.00 0.00 WAT1 ATOM 3800 H2 TIP3 809 -2.776 -2.873 26.909 0.00 0.00 WAT1 ATOM 3801 OH2 TIP3 810 1.142 -4.122 16.041 0.00 0.00 WAT1 ATOM 3802 H1 TIP3 810 0.204 -4.010 15.890 0.00 0.00 WAT1 ATOM 3803 H2 TIP3 810 1.439 -3.265 16.347 0.00 0.00 WAT1 ATOM 3804 OH2 TIP3 811 1.860 -2.255 17.702 0.00 0.00 WAT1 ATOM 3805 H1 TIP3 811 2.752 -2.392 18.021 0.00 0.00 WAT1 ATOM 3806 H2 TIP3 811 1.917 -1.464 17.165 0.00 0.00 WAT1 ATOM 3807 OH2 TIP3 812 -0.254 -4.686 27.374 0.00 0.00 WAT1 ATOM 3808 H1 TIP3 812 0.444 -4.612 28.024 0.00 0.00 WAT1 ATOM 3809 H2 TIP3 812 -0.635 -5.550 27.529 0.00 0.00 WAT1 ATOM 3810 OH2 TIP3 813 0.530 -5.034 18.471 0.00 0.00 WAT1 ATOM 3811 H1 TIP3 813 0.750 -4.562 17.668 0.00 0.00 WAT1 ATOM 3812 H2 TIP3 813 1.088 -4.639 19.142 0.00 0.00 WAT1 ATOM 3813 OH2 TIP3 814 -2.270 -3.306 19.306 0.00 0.00 WAT1 ATOM 3814 H1 TIP3 814 -1.458 -2.802 19.352 0.00 0.00 WAT1 ATOM 3815 H2 TIP3 814 -2.515 -3.451 20.220 0.00 0.00 WAT1 ATOM 3816 OH2 TIP3 815 -5.729 -5.162 16.932 0.00 0.00 WAT1 ATOM 3817 H1 TIP3 815 -5.812 -4.273 17.278 0.00 0.00 WAT1 ATOM 3818 H2 TIP3 815 -4.839 -5.427 17.163 0.00 0.00 WAT1 ATOM 3819 OH2 TIP3 816 -9.154 -2.070 15.108 0.00 0.00 WAT1 ATOM 3820 H1 TIP3 816 -9.199 -1.131 15.287 0.00 0.00 WAT1 ATOM 3821 H2 TIP3 816 -10.042 -2.306 14.838 0.00 0.00 WAT1 ATOM 3822 OH2 TIP3 817 -3.883 -7.535 28.027 0.00 0.00 WAT1 ATOM 3823 H1 TIP3 817 -3.981 -6.588 27.921 0.00 0.00 WAT1 ATOM 3824 H2 TIP3 817 -4.626 -7.907 27.551 0.00 0.00 WAT1 ATOM 3825 OH2 TIP3 818 4.449 -4.540 14.230 0.00 0.00 WAT1 ATOM 3826 H1 TIP3 818 5.059 -4.912 14.867 0.00 0.00 WAT1 ATOM 3827 H2 TIP3 818 3.612 -4.962 14.426 0.00 0.00 WAT1 ATOM 3828 OH2 TIP3 819 4.081 -2.985 19.196 0.00 0.00 WAT1 ATOM 3829 H1 TIP3 819 4.361 -3.892 19.321 0.00 0.00 WAT1 ATOM 3830 H2 TIP3 819 4.840 -2.551 18.807 0.00 0.00 WAT1 ATOM 3831 OH2 TIP3 820 4.693 -2.404 24.632 0.00 0.00 WAT1 ATOM 3832 H1 TIP3 820 5.626 -2.192 24.598 0.00 0.00 WAT1 ATOM 3833 H2 TIP3 820 4.458 -2.302 25.555 0.00 0.00 WAT1 ATOM 3834 OH2 TIP3 821 4.695 -5.722 19.245 0.00 0.00 WAT1 ATOM 3835 H1 TIP3 821 4.877 -6.171 20.070 0.00 0.00 WAT1 ATOM 3836 H2 TIP3 821 4.095 -6.307 18.781 0.00 0.00 WAT1 ATOM 3837 OH2 TIP3 822 6.561 -5.655 15.773 0.00 0.00 WAT1 ATOM 3838 H1 TIP3 822 6.974 -6.376 15.297 0.00 0.00 WAT1 ATOM 3839 H2 TIP3 822 7.243 -4.985 15.831 0.00 0.00 WAT1 ATOM 3840 OH2 TIP3 823 -11.158 -5.650 18.900 0.00 0.00 WAT1 ATOM 3841 H1 TIP3 823 -12.083 -5.441 18.770 0.00 0.00 WAT1 ATOM 3842 H2 TIP3 823 -10.704 -5.166 18.210 0.00 0.00 WAT1 ATOM 3843 OH2 TIP3 824 5.526 -7.488 28.930 0.00 0.00 WAT1 ATOM 3844 H1 TIP3 824 4.713 -7.163 28.542 0.00 0.00 WAT1 ATOM 3845 H2 TIP3 824 5.759 -8.248 28.397 0.00 0.00 WAT1 ATOM 3846 OH2 TIP3 825 5.825 -6.793 21.699 0.00 0.00 WAT1 ATOM 3847 H1 TIP3 825 6.437 -7.307 21.172 0.00 0.00 WAT1 ATOM 3848 H2 TIP3 825 6.208 -5.915 21.722 0.00 0.00 WAT1 ATOM 3849 OH2 TIP3 826 -8.718 -7.405 21.075 0.00 0.00 WAT1 ATOM 3850 H1 TIP3 826 -9.495 -7.639 20.567 0.00 0.00 WAT1 ATOM 3851 H2 TIP3 826 -8.187 -8.202 21.083 0.00 0.00 WAT1 ATOM 3852 OH2 TIP3 827 -4.138 -7.478 20.888 0.00 0.00 WAT1 ATOM 3853 H1 TIP3 827 -3.264 -7.090 20.858 0.00 0.00 WAT1 ATOM 3854 H2 TIP3 827 -4.274 -7.693 21.811 0.00 0.00 WAT1 ATOM 3855 OH2 TIP3 828 -2.994 -5.398 17.778 0.00 0.00 WAT1 ATOM 3856 H1 TIP3 828 -2.816 -6.044 18.461 0.00 0.00 WAT1 ATOM 3857 H2 TIP3 828 -3.048 -4.564 18.245 0.00 0.00 WAT1 ATOM 3858 OH2 TIP3 829 -3.661 10.615 -7.014 0.00 0.00 WAT1 ATOM 3859 H1 TIP3 829 -2.949 9.975 -7.028 0.00 0.00 WAT1 ATOM 3860 H2 TIP3 829 -3.762 10.882 -7.928 0.00 0.00 WAT1 ATOM 3861 OH2 TIP3 830 -11.194 11.944 -10.468 0.00 0.00 WAT1 ATOM 3862 H1 TIP3 830 -11.859 11.698 -9.825 0.00 0.00 WAT1 ATOM 3863 H2 TIP3 830 -11.637 12.566 -11.045 0.00 0.00 WAT1 ATOM 3864 OH2 TIP3 831 -8.760 11.965 -7.120 0.00 0.00 WAT1 ATOM 3865 H1 TIP3 831 -9.126 11.200 -6.677 0.00 0.00 WAT1 ATOM 3866 H2 TIP3 831 -7.847 11.994 -6.833 0.00 0.00 WAT1 ATOM 3867 OH2 TIP3 832 -6.787 11.316 -5.584 0.00 0.00 WAT1 ATOM 3868 H1 TIP3 832 -5.888 11.042 -5.769 0.00 0.00 WAT1 ATOM 3869 H2 TIP3 832 -7.173 10.573 -5.120 0.00 0.00 WAT1 ATOM 3870 OH2 TIP3 833 -11.158 13.206 0.044 0.00 0.00 WAT1 ATOM 3871 H1 TIP3 833 -12.083 13.415 -0.086 0.00 0.00 WAT1 ATOM 3872 H2 TIP3 833 -10.704 13.690 -0.646 0.00 0.00 WAT1 ATOM 3873 OH2 TIP3 834 -8.718 11.451 2.219 0.00 0.00 WAT1 ATOM 3874 H1 TIP3 834 -9.495 11.217 1.711 0.00 0.00 WAT1 ATOM 3875 H2 TIP3 834 -8.187 10.654 2.227 0.00 0.00 WAT1 ATOM 3876 OH2 TIP3 835 -9.881 11.249 -1.978 0.00 0.00 WAT1 ATOM 3877 H1 TIP3 835 -9.442 11.860 -2.569 0.00 0.00 WAT1 ATOM 3878 H2 TIP3 835 -10.515 11.787 -1.504 0.00 0.00 WAT1 ATOM 3879 OH2 TIP3 836 -8.020 13.165 -3.535 0.00 0.00 WAT1 ATOM 3880 H1 TIP3 836 -7.529 12.535 -4.063 0.00 0.00 WAT1 ATOM 3881 H2 TIP3 836 -7.397 13.461 -2.872 0.00 0.00 WAT1 ATOM 3882 OH2 TIP3 837 11.442 -32.641 5.724 0.00 0.00 WAT1 ATOM 3883 H1 TIP3 837 11.072 -33.443 5.355 0.00 0.00 WAT1 ATOM 3884 H2 TIP3 837 12.383 -32.810 5.771 0.00 0.00 WAT1 ATOM 3885 OH2 TIP3 838 12.622 -33.220 8.751 0.00 0.00 WAT1 ATOM 3886 H1 TIP3 838 12.616 -32.341 8.373 0.00 0.00 WAT1 ATOM 3887 H2 TIP3 838 11.768 -33.303 9.176 0.00 0.00 WAT1 ATOM 3888 OH2 TIP3 839 12.475 -30.637 11.578 0.00 0.00 WAT1 ATOM 3889 H1 TIP3 839 12.483 -30.773 10.630 0.00 0.00 WAT1 ATOM 3890 H2 TIP3 839 11.559 -30.755 11.830 0.00 0.00 WAT1 ATOM 3891 OH2 TIP3 840 8.072 -34.444 8.868 0.00 0.00 WAT1 ATOM 3892 H1 TIP3 840 7.571 -34.472 8.053 0.00 0.00 WAT1 ATOM 3893 H2 TIP3 840 8.078 -35.350 9.178 0.00 0.00 WAT1 ATOM 3894 OH2 TIP3 841 7.823 -31.664 5.752 0.00 0.00 WAT1 ATOM 3895 H1 TIP3 841 8.769 -31.808 5.733 0.00 0.00 WAT1 ATOM 3896 H2 TIP3 841 7.710 -30.880 6.289 0.00 0.00 WAT1 ATOM 3897 OH2 TIP3 842 11.067 -28.863 1.897 0.00 0.00 WAT1 ATOM 3898 H1 TIP3 842 11.219 -29.211 2.776 0.00 0.00 WAT1 ATOM 3899 H2 TIP3 842 10.216 -29.219 1.642 0.00 0.00 WAT1 ATOM 3900 OH2 TIP3 843 10.321 -33.121 9.911 0.00 0.00 WAT1 ATOM 3901 H1 TIP3 843 10.538 -33.482 10.771 0.00 0.00 WAT1 ATOM 3902 H2 TIP3 843 9.466 -33.495 9.701 0.00 0.00 WAT1 ATOM 3903 OH2 TIP3 844 10.900 -34.656 12.149 0.00 0.00 WAT1 ATOM 3904 H1 TIP3 844 11.633 -34.402 12.710 0.00 0.00 WAT1 ATOM 3905 H2 TIP3 844 10.120 -34.452 12.664 0.00 0.00 WAT1 ATOM 3906 OH2 TIP3 845 15.542 -30.023 8.051 0.00 0.00 WAT1 ATOM 3907 H1 TIP3 845 15.905 -29.168 7.818 0.00 0.00 WAT1 ATOM 3908 H2 TIP3 845 16.074 -30.315 8.792 0.00 0.00 WAT1 ATOM 3909 OH2 TIP3 846 9.518 -30.334 8.063 0.00 0.00 WAT1 ATOM 3910 H1 TIP3 846 9.735 -31.266 8.032 0.00 0.00 WAT1 ATOM 3911 H2 TIP3 846 9.765 -30.060 8.947 0.00 0.00 WAT1 ATOM 3912 OH2 TIP3 847 13.326 -29.528 14.036 0.00 0.00 WAT1 ATOM 3913 H1 TIP3 847 14.094 -29.987 14.377 0.00 0.00 WAT1 ATOM 3914 H2 TIP3 847 13.305 -29.754 13.106 0.00 0.00 WAT1 ATOM 3915 OH2 TIP3 848 8.636 -34.637 13.370 0.00 0.00 WAT1 ATOM 3916 H1 TIP3 848 8.780 -35.539 13.084 0.00 0.00 WAT1 ATOM 3917 H2 TIP3 848 7.863 -34.351 12.882 0.00 0.00 WAT1 ATOM 3918 OH2 TIP3 849 7.312 -27.358 1.632 0.00 0.00 WAT1 ATOM 3919 H1 TIP3 849 6.665 -27.820 1.099 0.00 0.00 WAT1 ATOM 3920 H2 TIP3 849 7.667 -28.030 2.215 0.00 0.00 WAT1 ATOM 3921 OH2 TIP3 850 8.182 -29.277 3.437 0.00 0.00 WAT1 ATOM 3922 H1 TIP3 850 7.848 -30.158 3.609 0.00 0.00 WAT1 ATOM 3923 H2 TIP3 850 8.404 -28.932 4.301 0.00 0.00 WAT1 ATOM 3924 OH2 TIP3 851 9.854 -31.449 12.532 0.00 0.00 WAT1 ATOM 3925 H1 TIP3 851 9.033 -31.274 12.072 0.00 0.00 WAT1 ATOM 3926 H2 TIP3 851 9.602 -31.522 13.453 0.00 0.00 WAT1 ATOM 3927 OH2 TIP3 852 12.808 -30.474 8.791 0.00 0.00 WAT1 ATOM 3928 H1 TIP3 852 12.383 -29.665 8.508 0.00 0.00 WAT1 ATOM 3929 H2 TIP3 852 13.713 -30.389 8.489 0.00 0.00 WAT1 ATOM 3930 OH2 TIP3 853 11.766 -29.885 4.404 0.00 0.00 WAT1 ATOM 3931 H1 TIP3 853 11.547 -30.801 4.573 0.00 0.00 WAT1 ATOM 3932 H2 TIP3 853 12.590 -29.745 4.870 0.00 0.00 WAT1 ATOM 3933 OH2 TIP3 854 14.303 -29.415 5.252 0.00 0.00 WAT1 ATOM 3934 H1 TIP3 854 14.516 -30.303 4.965 0.00 0.00 WAT1 ATOM 3935 H2 TIP3 854 14.368 -29.449 6.207 0.00 0.00 WAT1 ATOM 3936 OH2 TIP3 855 11.442 -32.641 24.580 0.00 0.00 WAT1 ATOM 3937 H1 TIP3 855 11.072 -33.443 24.211 0.00 0.00 WAT1 ATOM 3938 H2 TIP3 855 12.383 -32.810 24.627 0.00 0.00 WAT1 ATOM 3939 OH2 TIP3 856 12.622 -33.220 27.607 0.00 0.00 WAT1 ATOM 3940 H1 TIP3 856 12.616 -32.341 27.229 0.00 0.00 WAT1 ATOM 3941 H2 TIP3 856 11.768 -33.303 28.032 0.00 0.00 WAT1 ATOM 3942 OH2 TIP3 857 8.743 -33.549 18.389 0.00 0.00 WAT1 ATOM 3943 H1 TIP3 857 8.471 -33.320 17.500 0.00 0.00 WAT1 ATOM 3944 H2 TIP3 857 8.788 -32.711 18.849 0.00 0.00 WAT1 ATOM 3945 OH2 TIP3 858 12.475 -30.637 30.434 0.00 0.00 WAT1 ATOM 3946 H1 TIP3 858 12.483 -30.773 29.486 0.00 0.00 WAT1 ATOM 3947 H2 TIP3 858 11.559 -30.755 30.686 0.00 0.00 WAT1 ATOM 3948 OH2 TIP3 859 8.072 -34.444 27.724 0.00 0.00 WAT1 ATOM 3949 H1 TIP3 859 7.571 -34.472 26.909 0.00 0.00 WAT1 ATOM 3950 H2 TIP3 859 8.078 -35.350 28.034 0.00 0.00 WAT1 ATOM 3951 OH2 TIP3 860 11.067 -28.863 20.753 0.00 0.00 WAT1 ATOM 3952 H1 TIP3 860 11.219 -29.211 21.632 0.00 0.00 WAT1 ATOM 3953 H2 TIP3 860 10.216 -29.219 20.498 0.00 0.00 WAT1 ATOM 3954 OH2 TIP3 861 10.321 -33.121 28.767 0.00 0.00 WAT1 ATOM 3955 H1 TIP3 861 10.538 -33.482 29.627 0.00 0.00 WAT1 ATOM 3956 H2 TIP3 861 9.466 -33.495 28.557 0.00 0.00 WAT1 ATOM 3957 OH2 TIP3 862 11.225 -35.353 23.611 0.00 0.00 WAT1 ATOM 3958 H1 TIP3 862 11.970 -35.355 23.010 0.00 0.00 WAT1 ATOM 3959 H2 TIP3 862 11.303 -36.177 24.093 0.00 0.00 WAT1 ATOM 3960 OH2 TIP3 863 13.600 -31.835 21.016 0.00 0.00 WAT1 ATOM 3961 H1 TIP3 863 14.127 -31.062 20.815 0.00 0.00 WAT1 ATOM 3962 H2 TIP3 863 12.720 -31.610 20.714 0.00 0.00 WAT1 ATOM 3963 OH2 TIP3 864 13.711 -29.150 20.137 0.00 0.00 WAT1 ATOM 3964 H1 TIP3 864 12.761 -29.045 20.189 0.00 0.00 WAT1 ATOM 3965 H2 TIP3 864 14.062 -28.330 20.482 0.00 0.00 WAT1 ATOM 3966 OH2 TIP3 865 10.770 -35.060 17.095 0.00 0.00 WAT1 ATOM 3967 H1 TIP3 865 10.084 -34.708 17.662 0.00 0.00 WAT1 ATOM 3968 H2 TIP3 865 11.293 -34.297 16.849 0.00 0.00 WAT1 ATOM 3969 OH2 TIP3 866 11.386 -32.446 15.992 0.00 0.00 WAT1 ATOM 3970 H1 TIP3 866 11.978 -31.747 16.268 0.00 0.00 WAT1 ATOM 3971 H2 TIP3 866 11.845 -32.879 15.273 0.00 0.00 WAT1 ATOM 3972 OH2 TIP3 867 9.440 -31.060 19.942 0.00 0.00 WAT1 ATOM 3973 H1 TIP3 867 8.608 -30.587 19.969 0.00 0.00 WAT1 ATOM 3974 H2 TIP3 867 9.986 -30.550 19.343 0.00 0.00 WAT1 ATOM 3975 OH2 TIP3 868 13.326 -29.528 32.892 0.00 0.00 WAT1 ATOM 3976 H1 TIP3 868 14.094 -29.987 33.233 0.00 0.00 WAT1 ATOM 3977 H2 TIP3 868 13.305 -29.754 31.962 0.00 0.00 WAT1 ATOM 3978 OH2 TIP3 869 8.663 -32.751 15.411 0.00 0.00 WAT1 ATOM 3979 H1 TIP3 869 9.577 -32.672 15.684 0.00 0.00 WAT1 ATOM 3980 H2 TIP3 869 8.670 -33.438 14.744 0.00 0.00 WAT1 ATOM 3981 OH2 TIP3 870 8.262 -36.202 24.744 0.00 0.00 WAT1 ATOM 3982 H1 TIP3 870 8.446 -36.284 23.809 0.00 0.00 WAT1 ATOM 3983 H2 TIP3 870 9.111 -36.326 25.168 0.00 0.00 WAT1 ATOM 3984 OH2 TIP3 871 9.854 -31.449 31.388 0.00 0.00 WAT1 ATOM 3985 H1 TIP3 871 9.033 -31.274 30.928 0.00 0.00 WAT1 ATOM 3986 H2 TIP3 871 9.602 -31.522 32.309 0.00 0.00 WAT1 ATOM 3987 OH2 TIP3 872 12.808 -30.474 27.647 0.00 0.00 WAT1 ATOM 3988 H1 TIP3 872 12.383 -29.665 27.364 0.00 0.00 WAT1 ATOM 3989 H2 TIP3 872 13.713 -30.389 27.345 0.00 0.00 WAT1 ATOM 3990 OH2 TIP3 873 12.677 -27.618 26.724 0.00 0.00 WAT1 ATOM 3991 H1 TIP3 873 11.812 -27.546 27.128 0.00 0.00 WAT1 ATOM 3992 H2 TIP3 873 12.622 -27.071 25.940 0.00 0.00 WAT1 ATOM 3993 OH2 TIP3 874 11.766 -29.885 23.260 0.00 0.00 WAT1 ATOM 3994 H1 TIP3 874 11.547 -30.801 23.429 0.00 0.00 WAT1 ATOM 3995 H2 TIP3 874 12.590 -29.745 23.726 0.00 0.00 WAT1 ATOM 3996 OH2 TIP3 875 14.303 -29.415 24.108 0.00 0.00 WAT1 ATOM 3997 H1 TIP3 875 14.516 -30.303 23.821 0.00 0.00 WAT1 ATOM 3998 H2 TIP3 875 14.368 -29.449 25.063 0.00 0.00 WAT1 ATOM 3999 OH2 TIP3 876 10.694 -28.451 14.801 0.00 0.00 WAT1 ATOM 4000 H1 TIP3 876 10.426 -28.164 15.674 0.00 0.00 WAT1 ATOM 4001 H2 TIP3 876 11.465 -28.997 14.953 0.00 0.00 WAT1 ATOM 4002 OH2 TIP3 877 10.694 -28.451 33.657 0.00 0.00 WAT1 ATOM 4003 H1 TIP3 877 10.426 -28.164 34.530 0.00 0.00 WAT1 ATOM 4004 H2 TIP3 877 11.465 -28.997 33.809 0.00 0.00 WAT1 ATOM 4005 OH2 TIP3 878 11.442 -13.785 5.724 0.00 0.00 WAT1 ATOM 4006 H1 TIP3 878 11.072 -14.587 5.355 0.00 0.00 WAT1 ATOM 4007 H2 TIP3 878 12.383 -13.954 5.771 0.00 0.00 WAT1 ATOM 4008 OH2 TIP3 879 8.052 -20.125 1.117 0.00 0.00 WAT1 ATOM 4009 H1 TIP3 879 7.604 -19.279 1.099 0.00 0.00 WAT1 ATOM 4010 H2 TIP3 879 7.491 -20.705 0.602 0.00 0.00 WAT1 ATOM 4011 OH2 TIP3 880 12.835 -22.922 3.602 0.00 0.00 WAT1 ATOM 4012 H1 TIP3 880 12.878 -22.062 3.184 0.00 0.00 WAT1 ATOM 4013 H2 TIP3 880 12.377 -23.474 2.969 0.00 0.00 WAT1 ATOM 4014 OH2 TIP3 881 14.611 -18.975 3.580 0.00 0.00 WAT1 ATOM 4015 H1 TIP3 881 15.227 -19.501 4.089 0.00 0.00 WAT1 ATOM 4016 H2 TIP3 881 14.025 -19.615 3.176 0.00 0.00 WAT1 ATOM 4017 OH2 TIP3 882 14.214 -16.328 7.964 0.00 0.00 WAT1 ATOM 4018 H1 TIP3 882 13.474 -15.730 8.067 0.00 0.00 WAT1 ATOM 4019 H2 TIP3 882 14.928 -15.774 7.648 0.00 0.00 WAT1 ATOM 4020 OH2 TIP3 883 12.622 -14.364 8.751 0.00 0.00 WAT1 ATOM 4021 H1 TIP3 883 12.616 -13.485 8.373 0.00 0.00 WAT1 ATOM 4022 H2 TIP3 883 11.768 -14.447 9.176 0.00 0.00 WAT1 ATOM 4023 OH2 TIP3 884 8.743 -14.693 -0.467 0.00 0.00 WAT1 ATOM 4024 H1 TIP3 884 8.471 -14.464 -1.356 0.00 0.00 WAT1 ATOM 4025 H2 TIP3 884 8.788 -13.855 -0.007 0.00 0.00 WAT1 ATOM 4026 OH2 TIP3 885 15.671 -26.698 5.129 0.00 0.00 WAT1 ATOM 4027 H1 TIP3 885 15.554 -27.647 5.075 0.00 0.00 WAT1 ATOM 4028 H2 TIP3 885 14.816 -26.366 5.402 0.00 0.00 WAT1 ATOM 4029 OH2 TIP3 886 12.989 -17.021 2.464 0.00 0.00 WAT1 ATOM 4030 H1 TIP3 886 12.659 -17.391 1.645 0.00 0.00 WAT1 ATOM 4031 H2 TIP3 886 13.577 -17.691 2.810 0.00 0.00 WAT1 ATOM 4032 OH2 TIP3 887 13.356 -18.252 6.097 0.00 0.00 WAT1 ATOM 4033 H1 TIP3 887 13.921 -18.131 5.334 0.00 0.00 WAT1 ATOM 4034 H2 TIP3 887 13.675 -17.615 6.736 0.00 0.00 WAT1 ATOM 4035 OH2 TIP3 888 14.236 -13.853 10.814 0.00 0.00 WAT1 ATOM 4036 H1 TIP3 888 13.924 -13.071 11.270 0.00 0.00 WAT1 ATOM 4037 H2 TIP3 888 13.586 -14.006 10.128 0.00 0.00 WAT1 ATOM 4038 OH2 TIP3 889 11.156 -17.655 10.043 0.00 0.00 WAT1 ATOM 4039 H1 TIP3 889 11.226 -17.004 10.741 0.00 0.00 WAT1 ATOM 4040 H2 TIP3 889 10.265 -17.552 9.708 0.00 0.00 WAT1 ATOM 4041 OH2 TIP3 890 12.475 -11.781 11.578 0.00 0.00 WAT1 ATOM 4042 H1 TIP3 890 12.483 -11.917 10.630 0.00 0.00 WAT1 ATOM 4043 H2 TIP3 890 11.559 -11.899 11.830 0.00 0.00 WAT1 ATOM 4044 OH2 TIP3 891 11.979 -17.951 0.053 0.00 0.00 WAT1 ATOM 4045 H1 TIP3 891 11.687 -17.183 -0.438 0.00 0.00 WAT1 ATOM 4046 H2 TIP3 891 11.305 -18.611 -0.110 0.00 0.00 WAT1 ATOM 4047 OH2 TIP3 892 7.823 -12.808 5.752 0.00 0.00 WAT1 ATOM 4048 H1 TIP3 892 8.769 -12.952 5.733 0.00 0.00 WAT1 ATOM 4049 H2 TIP3 892 7.710 -12.024 6.289 0.00 0.00 WAT1 ATOM 4050 OH2 TIP3 893 10.321 -14.265 9.911 0.00 0.00 WAT1 ATOM 4051 H1 TIP3 893 10.538 -14.626 10.771 0.00 0.00 WAT1 ATOM 4052 H2 TIP3 893 9.466 -14.639 9.701 0.00 0.00 WAT1 ATOM 4053 OH2 TIP3 894 12.940 -25.795 5.907 0.00 0.00 WAT1 ATOM 4054 H1 TIP3 894 12.079 -25.882 5.499 0.00 0.00 WAT1 ATOM 4055 H2 TIP3 894 12.918 -24.939 6.334 0.00 0.00 WAT1 ATOM 4056 OH2 TIP3 895 13.031 -20.829 7.002 0.00 0.00 WAT1 ATOM 4057 H1 TIP3 895 12.389 -20.870 7.711 0.00 0.00 WAT1 ATOM 4058 H2 TIP3 895 13.068 -19.903 6.764 0.00 0.00 WAT1 ATOM 4059 OH2 TIP3 896 13.028 -20.608 1.914 0.00 0.00 WAT1 ATOM 4060 H1 TIP3 896 12.135 -20.949 1.855 0.00 0.00 WAT1 ATOM 4061 H2 TIP3 896 13.479 -20.985 1.158 0.00 0.00 WAT1 ATOM 4062 OH2 TIP3 897 8.664 -22.647 -1.857 0.00 0.00 WAT1 ATOM 4063 H1 TIP3 897 9.138 -22.056 -2.442 0.00 0.00 WAT1 ATOM 4064 H2 TIP3 897 7.946 -22.116 -1.510 0.00 0.00 WAT1 ATOM 4065 OH2 TIP3 898 10.438 -21.552 1.827 0.00 0.00 WAT1 ATOM 4066 H1 TIP3 898 9.549 -21.452 1.487 0.00 0.00 WAT1 ATOM 4067 H2 TIP3 898 10.734 -22.394 1.481 0.00 0.00 WAT1 ATOM 4068 OH2 TIP3 899 10.900 -15.800 12.149 0.00 0.00 WAT1 ATOM 4069 H1 TIP3 899 11.633 -15.546 12.710 0.00 0.00 WAT1 ATOM 4070 H2 TIP3 899 10.120 -15.596 12.664 0.00 0.00 WAT1 ATOM 4071 OH2 TIP3 900 11.932 -24.257 1.305 0.00 0.00 WAT1 ATOM 4072 H1 TIP3 900 11.615 -25.159 1.270 0.00 0.00 WAT1 ATOM 4073 H2 TIP3 900 12.713 -24.255 0.753 0.00 0.00 WAT1 ATOM 4074 OH2 TIP3 901 15.556 -22.005 7.301 0.00 0.00 WAT1 ATOM 4075 H1 TIP3 901 14.721 -21.551 7.411 0.00 0.00 WAT1 ATOM 4076 H2 TIP3 901 16.080 -21.729 8.053 0.00 0.00 WAT1 ATOM 4077 OH2 TIP3 902 11.225 -16.497 4.755 0.00 0.00 WAT1 ATOM 4078 H1 TIP3 902 11.970 -16.499 4.154 0.00 0.00 WAT1 ATOM 4079 H2 TIP3 902 11.303 -17.321 5.237 0.00 0.00 WAT1 ATOM 4080 OH2 TIP3 903 15.250 -18.519 12.283 0.00 0.00 WAT1 ATOM 4081 H1 TIP3 903 14.954 -18.685 11.388 0.00 0.00 WAT1 ATOM 4082 H2 TIP3 903 16.181 -18.739 12.273 0.00 0.00 WAT1 ATOM 4083 OH2 TIP3 904 9.355 -18.117 -3.253 0.00 0.00 WAT1 ATOM 4084 H1 TIP3 904 9.971 -17.490 -2.874 0.00 0.00 WAT1 ATOM 4085 H2 TIP3 904 8.493 -17.801 -2.982 0.00 0.00 WAT1 ATOM 4086 OH2 TIP3 905 9.518 -11.478 8.063 0.00 0.00 WAT1 ATOM 4087 H1 TIP3 905 9.735 -12.410 8.032 0.00 0.00 WAT1 ATOM 4088 H2 TIP3 905 9.765 -11.204 8.947 0.00 0.00 WAT1 ATOM 4089 OH2 TIP3 906 10.770 -16.204 -1.761 0.00 0.00 WAT1 ATOM 4090 H1 TIP3 906 10.084 -15.852 -1.194 0.00 0.00 WAT1 ATOM 4091 H2 TIP3 906 11.293 -15.441 -2.007 0.00 0.00 WAT1 ATOM 4092 OH2 TIP3 907 9.440 -12.204 1.086 0.00 0.00 WAT1 ATOM 4093 H1 TIP3 907 8.608 -11.731 1.113 0.00 0.00 WAT1 ATOM 4094 H2 TIP3 907 9.986 -11.694 0.487 0.00 0.00 WAT1 ATOM 4095 OH2 TIP3 908 8.729 -9.591 12.416 0.00 0.00 WAT1 ATOM 4096 H1 TIP3 908 9.269 -9.808 13.175 0.00 0.00 WAT1 ATOM 4097 H2 TIP3 908 8.248 -10.397 12.226 0.00 0.00 WAT1 ATOM 4098 OH2 TIP3 909 13.326 -10.672 14.036 0.00 0.00 WAT1 ATOM 4099 H1 TIP3 909 14.094 -11.131 14.377 0.00 0.00 WAT1 ATOM 4100 H2 TIP3 909 13.305 -10.898 13.106 0.00 0.00 WAT1 ATOM 4101 OH2 TIP3 910 15.291 -15.811 12.803 0.00 0.00 WAT1 ATOM 4102 H1 TIP3 910 14.963 -15.540 11.945 0.00 0.00 WAT1 ATOM 4103 H2 TIP3 910 15.443 -16.752 12.715 0.00 0.00 WAT1 ATOM 4104 OH2 TIP3 911 13.415 -19.572 10.164 0.00 0.00 WAT1 ATOM 4105 H1 TIP3 911 12.797 -18.897 10.445 0.00 0.00 WAT1 ATOM 4106 H2 TIP3 911 13.759 -19.251 9.331 0.00 0.00 WAT1 ATOM 4107 OH2 TIP3 912 13.755 -22.217 11.247 0.00 0.00 WAT1 ATOM 4108 H1 TIP3 912 13.905 -22.946 10.644 0.00 0.00 WAT1 ATOM 4109 H2 TIP3 912 13.757 -21.440 10.688 0.00 0.00 WAT1 ATOM 4110 OH2 TIP3 913 14.167 -23.847 8.739 0.00 0.00 WAT1 ATOM 4111 H1 TIP3 913 14.703 -23.396 8.087 0.00 0.00 WAT1 ATOM 4112 H2 TIP3 913 13.315 -23.955 8.317 0.00 0.00 WAT1 ATOM 4113 OH2 TIP3 914 15.749 -18.408 8.979 0.00 0.00 WAT1 ATOM 4114 H1 TIP3 914 16.500 -18.564 8.406 0.00 0.00 WAT1 ATOM 4115 H2 TIP3 914 15.410 -17.556 8.703 0.00 0.00 WAT1 ATOM 4116 OH2 TIP3 915 14.973 -26.391 9.171 0.00 0.00 WAT1 ATOM 4117 H1 TIP3 915 14.875 -25.444 9.065 0.00 0.00 WAT1 ATOM 4118 H2 TIP3 915 14.230 -26.763 8.695 0.00 0.00 WAT1 ATOM 4119 OH2 TIP3 916 15.195 -27.097 11.842 0.00 0.00 WAT1 ATOM 4120 H1 TIP3 916 15.907 -27.737 11.828 0.00 0.00 WAT1 ATOM 4121 H2 TIP3 916 15.094 -26.830 10.928 0.00 0.00 WAT1 ATOM 4122 OH2 TIP3 917 15.548 -25.414 13.896 0.00 0.00 WAT1 ATOM 4123 H1 TIP3 917 15.417 -25.890 13.075 0.00 0.00 WAT1 ATOM 4124 H2 TIP3 917 14.949 -24.670 13.840 0.00 0.00 WAT1 ATOM 4125 OH2 TIP3 918 8.663 -13.895 -3.445 0.00 0.00 WAT1 ATOM 4126 H1 TIP3 918 9.577 -13.816 -3.172 0.00 0.00 WAT1 ATOM 4127 H2 TIP3 918 8.670 -14.582 -4.112 0.00 0.00 WAT1 ATOM 4128 OH2 TIP3 919 8.182 -10.421 3.437 0.00 0.00 WAT1 ATOM 4129 H1 TIP3 919 7.848 -11.302 3.609 0.00 0.00 WAT1 ATOM 4130 H2 TIP3 919 8.404 -10.076 4.301 0.00 0.00 WAT1 ATOM 4131 OH2 TIP3 920 7.698 -24.506 0.044 0.00 0.00 WAT1 ATOM 4132 H1 TIP3 920 6.773 -24.297 -0.086 0.00 0.00 WAT1 ATOM 4133 H2 TIP3 920 8.152 -24.022 -0.646 0.00 0.00 WAT1 ATOM 4134 OH2 TIP3 921 9.854 -12.593 12.532 0.00 0.00 WAT1 ATOM 4135 H1 TIP3 921 9.033 -12.418 12.072 0.00 0.00 WAT1 ATOM 4136 H2 TIP3 921 9.602 -12.666 13.453 0.00 0.00 WAT1 ATOM 4137 OH2 TIP3 922 12.808 -11.618 8.791 0.00 0.00 WAT1 ATOM 4138 H1 TIP3 922 12.383 -10.809 8.508 0.00 0.00 WAT1 ATOM 4139 H2 TIP3 922 13.713 -11.533 8.489 0.00 0.00 WAT1 ATOM 4140 OH2 TIP3 923 10.210 -8.362 8.838 0.00 0.00 WAT1 ATOM 4141 H1 TIP3 923 9.490 -7.922 8.387 0.00 0.00 WAT1 ATOM 4142 H2 TIP3 923 9.844 -8.613 9.687 0.00 0.00 WAT1 ATOM 4143 OH2 TIP3 924 9.625 -9.739 5.749 0.00 0.00 WAT1 ATOM 4144 H1 TIP3 924 9.606 -10.164 6.606 0.00 0.00 WAT1 ATOM 4145 H2 TIP3 924 10.430 -10.057 5.340 0.00 0.00 WAT1 ATOM 4146 OH2 TIP3 925 10.138 -26.261 2.219 0.00 0.00 WAT1 ATOM 4147 H1 TIP3 925 9.361 -26.495 1.711 0.00 0.00 WAT1 ATOM 4148 H2 TIP3 925 10.669 -27.058 2.227 0.00 0.00 WAT1 ATOM 4149 OH2 TIP3 926 14.718 -26.334 2.032 0.00 0.00 WAT1 ATOM 4150 H1 TIP3 926 15.592 -25.946 2.002 0.00 0.00 WAT1 ATOM 4151 H2 TIP3 926 14.582 -26.549 2.955 0.00 0.00 WAT1 ATOM 4152 OH2 TIP3 927 12.069 -26.396 13.272 0.00 0.00 WAT1 ATOM 4153 H1 TIP3 927 12.968 -26.670 13.087 0.00 0.00 WAT1 ATOM 4154 H2 TIP3 927 11.683 -27.139 13.736 0.00 0.00 WAT1 ATOM 4155 OH2 TIP3 928 10.518 -18.235 26.045 0.00 0.00 WAT1 ATOM 4156 H1 TIP3 928 10.560 -18.861 26.769 0.00 0.00 WAT1 ATOM 4157 H2 TIP3 928 11.221 -17.612 26.227 0.00 0.00 WAT1 ATOM 4158 OH2 TIP3 929 11.442 -13.785 24.580 0.00 0.00 WAT1 ATOM 4159 H1 TIP3 929 11.072 -14.587 24.211 0.00 0.00 WAT1 ATOM 4160 H2 TIP3 929 12.383 -13.954 24.627 0.00 0.00 WAT1 ATOM 4161 OH2 TIP3 930 8.052 -20.125 19.973 0.00 0.00 WAT1 ATOM 4162 H1 TIP3 930 7.604 -19.279 19.955 0.00 0.00 WAT1 ATOM 4163 H2 TIP3 930 7.491 -20.705 19.458 0.00 0.00 WAT1 ATOM 4164 OH2 TIP3 931 8.762 -17.963 22.099 0.00 0.00 WAT1 ATOM 4165 H1 TIP3 931 8.976 -18.733 22.626 0.00 0.00 WAT1 ATOM 4166 H2 TIP3 931 9.500 -17.874 21.496 0.00 0.00 WAT1 ATOM 4167 OH2 TIP3 932 12.835 -22.922 22.458 0.00 0.00 WAT1 ATOM 4168 H1 TIP3 932 12.878 -22.062 22.040 0.00 0.00 WAT1 ATOM 4169 H2 TIP3 932 12.377 -23.474 21.825 0.00 0.00 WAT1 ATOM 4170 OH2 TIP3 933 9.455 -20.525 23.220 0.00 0.00 WAT1 ATOM 4171 H1 TIP3 933 10.109 -21.075 23.652 0.00 0.00 WAT1 ATOM 4172 H2 TIP3 933 9.479 -20.799 22.304 0.00 0.00 WAT1 ATOM 4173 OH2 TIP3 934 11.645 -24.004 26.532 0.00 0.00 WAT1 ATOM 4174 H1 TIP3 934 11.426 -23.474 25.766 0.00 0.00 WAT1 ATOM 4175 H2 TIP3 934 10.977 -23.777 27.180 0.00 0.00 WAT1 ATOM 4176 OH2 TIP3 935 11.239 -22.112 24.485 0.00 0.00 WAT1 ATOM 4177 H1 TIP3 935 11.852 -21.479 24.858 0.00 0.00 WAT1 ATOM 4178 H2 TIP3 935 11.751 -22.584 23.828 0.00 0.00 WAT1 ATOM 4179 OH2 TIP3 936 12.989 -17.021 21.320 0.00 0.00 WAT1 ATOM 4180 H1 TIP3 936 12.659 -17.391 20.501 0.00 0.00 WAT1 ATOM 4181 H2 TIP3 936 13.577 -17.691 21.666 0.00 0.00 WAT1 ATOM 4182 OH2 TIP3 937 11.979 -17.951 18.909 0.00 0.00 WAT1 ATOM 4183 H1 TIP3 937 11.687 -17.183 18.418 0.00 0.00 WAT1 ATOM 4184 H2 TIP3 937 11.305 -18.611 18.746 0.00 0.00 WAT1 ATOM 4185 OH2 TIP3 938 8.072 -15.588 27.724 0.00 0.00 WAT1 ATOM 4186 H1 TIP3 938 7.571 -15.616 26.909 0.00 0.00 WAT1 ATOM 4187 H2 TIP3 938 8.078 -16.494 28.034 0.00 0.00 WAT1 ATOM 4188 OH2 TIP3 939 11.067 -10.007 20.753 0.00 0.00 WAT1 ATOM 4189 H1 TIP3 939 11.219 -10.355 21.632 0.00 0.00 WAT1 ATOM 4190 H2 TIP3 939 10.216 -10.363 20.498 0.00 0.00 WAT1 ATOM 4191 OH2 TIP3 940 10.321 -14.265 28.767 0.00 0.00 WAT1 ATOM 4192 H1 TIP3 940 10.538 -14.626 29.627 0.00 0.00 WAT1 ATOM 4193 H2 TIP3 940 9.466 -14.639 28.557 0.00 0.00 WAT1 ATOM 4194 OH2 TIP3 941 12.940 -25.795 24.763 0.00 0.00 WAT1 ATOM 4195 H1 TIP3 941 12.079 -25.882 24.355 0.00 0.00 WAT1 ATOM 4196 H2 TIP3 941 12.918 -24.939 25.190 0.00 0.00 WAT1 ATOM 4197 OH2 TIP3 942 10.781 -20.509 27.725 0.00 0.00 WAT1 ATOM 4198 H1 TIP3 942 10.743 -20.109 28.593 0.00 0.00 WAT1 ATOM 4199 H2 TIP3 942 10.290 -21.326 27.815 0.00 0.00 WAT1 ATOM 4200 OH2 TIP3 943 14.147 -23.135 14.523 0.00 0.00 WAT1 ATOM 4201 H1 TIP3 943 13.716 -23.580 15.253 0.00 0.00 WAT1 ATOM 4202 H2 TIP3 943 13.429 -22.763 14.011 0.00 0.00 WAT1 ATOM 4203 OH2 TIP3 944 10.438 -21.552 20.683 0.00 0.00 WAT1 ATOM 4204 H1 TIP3 944 9.549 -21.452 20.343 0.00 0.00 WAT1 ATOM 4205 H2 TIP3 944 10.734 -22.394 20.337 0.00 0.00 WAT1 ATOM 4206 OH2 TIP3 945 14.091 -21.552 18.339 0.00 0.00 WAT1 ATOM 4207 H1 TIP3 945 15.023 -21.423 18.517 0.00 0.00 WAT1 ATOM 4208 H2 TIP3 945 13.876 -20.882 17.690 0.00 0.00 WAT1 ATOM 4209 OH2 TIP3 946 12.765 -20.357 15.906 0.00 0.00 WAT1 ATOM 4210 H1 TIP3 946 12.223 -20.737 15.215 0.00 0.00 WAT1 ATOM 4211 H2 TIP3 946 13.599 -20.163 15.477 0.00 0.00 WAT1 ATOM 4212 OH2 TIP3 947 11.932 -24.257 20.161 0.00 0.00 WAT1 ATOM 4213 H1 TIP3 947 11.615 -25.159 20.126 0.00 0.00 WAT1 ATOM 4214 H2 TIP3 947 12.713 -24.255 19.609 0.00 0.00 WAT1 ATOM 4215 OH2 TIP3 948 16.100 -15.792 17.842 0.00 0.00 WAT1 ATOM 4216 H1 TIP3 948 15.356 -16.299 17.519 0.00 0.00 WAT1 ATOM 4217 H2 TIP3 948 15.966 -15.743 18.788 0.00 0.00 WAT1 ATOM 4218 OH2 TIP3 949 11.225 -16.497 23.611 0.00 0.00 WAT1 ATOM 4219 H1 TIP3 949 11.970 -16.499 23.010 0.00 0.00 WAT1 ATOM 4220 H2 TIP3 949 11.303 -17.321 24.093 0.00 0.00 WAT1 ATOM 4221 OH2 TIP3 950 8.233 -18.036 28.926 0.00 0.00 WAT1 ATOM 4222 H1 TIP3 950 8.456 -18.454 29.758 0.00 0.00 WAT1 ATOM 4223 H2 TIP3 950 7.631 -18.649 28.504 0.00 0.00 WAT1 ATOM 4224 OH2 TIP3 951 13.600 -12.979 21.016 0.00 0.00 WAT1 ATOM 4225 H1 TIP3 951 14.127 -12.206 20.815 0.00 0.00 WAT1 ATOM 4226 H2 TIP3 951 12.720 -12.754 20.714 0.00 0.00 WAT1 ATOM 4227 OH2 TIP3 952 15.027 -15.316 20.592 0.00 0.00 WAT1 ATOM 4228 H1 TIP3 952 14.786 -14.391 20.634 0.00 0.00 WAT1 ATOM 4229 H2 TIP3 952 14.287 -15.775 20.988 0.00 0.00 WAT1 ATOM 4230 OH2 TIP3 953 13.711 -10.294 20.137 0.00 0.00 WAT1 ATOM 4231 H1 TIP3 953 12.761 -10.189 20.189 0.00 0.00 WAT1 ATOM 4232 H2 TIP3 953 14.062 -9.474 20.482 0.00 0.00 WAT1 ATOM 4233 OH2 TIP3 954 9.867 -23.283 28.484 0.00 0.00 WAT1 ATOM 4234 H1 TIP3 954 8.974 -22.944 28.417 0.00 0.00 WAT1 ATOM 4235 H2 TIP3 954 9.768 -24.138 28.902 0.00 0.00 WAT1 ATOM 4236 OH2 TIP3 955 9.518 -11.478 26.919 0.00 0.00 WAT1 ATOM 4237 H1 TIP3 955 9.735 -12.410 26.888 0.00 0.00 WAT1 ATOM 4238 H2 TIP3 955 9.765 -11.204 27.803 0.00 0.00 WAT1 ATOM 4239 OH2 TIP3 956 15.380 -13.027 14.129 0.00 0.00 WAT1 ATOM 4240 H1 TIP3 956 15.619 -13.775 13.581 0.00 0.00 WAT1 ATOM 4241 H2 TIP3 956 15.111 -13.415 14.961 0.00 0.00 WAT1 ATOM 4242 OH2 TIP3 957 14.317 -13.457 16.585 0.00 0.00 WAT1 ATOM 4243 H1 TIP3 957 14.464 -13.977 17.375 0.00 0.00 WAT1 ATOM 4244 H2 TIP3 957 14.314 -12.550 16.891 0.00 0.00 WAT1 ATOM 4245 OH2 TIP3 958 14.393 -10.716 17.316 0.00 0.00 WAT1 ATOM 4246 H1 TIP3 958 14.554 -9.916 16.815 0.00 0.00 WAT1 ATOM 4247 H2 TIP3 958 14.196 -10.409 18.201 0.00 0.00 WAT1 ATOM 4248 OH2 TIP3 959 13.127 -24.018 16.932 0.00 0.00 WAT1 ATOM 4249 H1 TIP3 959 13.044 -23.129 17.278 0.00 0.00 WAT1 ATOM 4250 H2 TIP3 959 14.017 -24.283 17.163 0.00 0.00 WAT1 ATOM 4251 OH2 TIP3 960 10.510 -26.144 23.781 0.00 0.00 WAT1 ATOM 4252 H1 TIP3 960 10.281 -26.085 22.854 0.00 0.00 WAT1 ATOM 4253 H2 TIP3 960 10.067 -26.936 24.088 0.00 0.00 WAT1 ATOM 4254 OH2 TIP3 961 8.636 -15.781 32.226 0.00 0.00 WAT1 ATOM 4255 H1 TIP3 961 8.780 -16.683 31.940 0.00 0.00 WAT1 ATOM 4256 H2 TIP3 961 7.863 -15.495 31.738 0.00 0.00 WAT1 ATOM 4257 OH2 TIP3 962 12.977 -15.437 14.358 0.00 0.00 WAT1 ATOM 4258 H1 TIP3 962 13.041 -16.231 14.889 0.00 0.00 WAT1 ATOM 4259 H2 TIP3 962 13.630 -15.556 13.669 0.00 0.00 WAT1 ATOM 4260 OH2 TIP3 963 9.468 -18.581 31.646 0.00 0.00 WAT1 ATOM 4261 H1 TIP3 963 9.876 -19.438 31.525 0.00 0.00 WAT1 ATOM 4262 H2 TIP3 963 9.208 -18.566 32.567 0.00 0.00 WAT1 ATOM 4263 OH2 TIP3 964 14.126 -17.465 16.664 0.00 0.00 WAT1 ATOM 4264 H1 TIP3 964 13.667 -17.949 17.350 0.00 0.00 WAT1 ATOM 4265 H2 TIP3 964 14.381 -18.133 16.028 0.00 0.00 WAT1 ATOM 4266 OH2 TIP3 965 15.197 -19.222 14.927 0.00 0.00 WAT1 ATOM 4267 H1 TIP3 965 15.017 -19.376 13.999 0.00 0.00 WAT1 ATOM 4268 H2 TIP3 965 16.148 -19.114 14.971 0.00 0.00 WAT1 ATOM 4269 OH2 TIP3 966 14.167 -23.847 27.595 0.00 0.00 WAT1 ATOM 4270 H1 TIP3 966 14.703 -23.396 26.943 0.00 0.00 WAT1 ATOM 4271 H2 TIP3 966 13.315 -23.955 27.173 0.00 0.00 WAT1 ATOM 4272 OH2 TIP3 967 14.973 -26.391 28.027 0.00 0.00 WAT1 ATOM 4273 H1 TIP3 967 14.875 -25.444 27.921 0.00 0.00 WAT1 ATOM 4274 H2 TIP3 967 14.230 -26.763 27.551 0.00 0.00 WAT1 ATOM 4275 OH2 TIP3 968 10.414 -23.098 31.719 0.00 0.00 WAT1 ATOM 4276 H1 TIP3 968 10.625 -23.805 31.108 0.00 0.00 WAT1 ATOM 4277 H2 TIP3 968 10.302 -23.536 32.563 0.00 0.00 WAT1 ATOM 4278 OH2 TIP3 969 7.312 -8.502 20.488 0.00 0.00 WAT1 ATOM 4279 H1 TIP3 969 6.665 -8.964 19.955 0.00 0.00 WAT1 ATOM 4280 H2 TIP3 969 7.667 -9.174 21.071 0.00 0.00 WAT1 ATOM 4281 OH2 TIP3 970 8.182 -10.421 22.293 0.00 0.00 WAT1 ATOM 4282 H1 TIP3 970 7.848 -11.302 22.465 0.00 0.00 WAT1 ATOM 4283 H2 TIP3 970 8.404 -10.076 23.157 0.00 0.00 WAT1 ATOM 4284 OH2 TIP3 971 8.262 -17.346 24.744 0.00 0.00 WAT1 ATOM 4285 H1 TIP3 971 8.446 -17.428 23.809 0.00 0.00 WAT1 ATOM 4286 H2 TIP3 971 9.111 -17.470 25.168 0.00 0.00 WAT1 ATOM 4287 OH2 TIP3 972 7.860 -22.075 30.885 0.00 0.00 WAT1 ATOM 4288 H1 TIP3 972 8.779 -22.197 31.121 0.00 0.00 WAT1 ATOM 4289 H2 TIP3 972 7.410 -22.825 31.274 0.00 0.00 WAT1 ATOM 4290 OH2 TIP3 973 9.081 -23.763 23.776 0.00 0.00 WAT1 ATOM 4291 H1 TIP3 973 9.526 -24.555 24.078 0.00 0.00 WAT1 ATOM 4292 H2 TIP3 973 9.547 -23.047 24.207 0.00 0.00 WAT1 ATOM 4293 OH2 TIP3 974 7.385 -20.764 24.845 0.00 0.00 WAT1 ATOM 4294 H1 TIP3 974 7.877 -20.985 24.055 0.00 0.00 WAT1 ATOM 4295 H2 TIP3 974 7.747 -19.923 25.126 0.00 0.00 WAT1 ATOM 4296 OH2 TIP3 975 9.625 -9.739 24.605 0.00 0.00 WAT1 ATOM 4297 H1 TIP3 975 9.606 -10.164 25.462 0.00 0.00 WAT1 ATOM 4298 H2 TIP3 975 10.430 -10.057 24.196 0.00 0.00 WAT1 ATOM 4299 OH2 TIP3 976 11.766 -11.029 23.260 0.00 0.00 WAT1 ATOM 4300 H1 TIP3 976 11.547 -11.945 23.429 0.00 0.00 WAT1 ATOM 4301 H2 TIP3 976 12.590 -10.889 23.726 0.00 0.00 WAT1 ATOM 4302 OH2 TIP3 977 10.138 -26.261 21.075 0.00 0.00 WAT1 ATOM 4303 H1 TIP3 977 9.361 -26.495 20.567 0.00 0.00 WAT1 ATOM 4304 H2 TIP3 977 10.669 -27.058 21.083 0.00 0.00 WAT1 ATOM 4305 OH2 TIP3 978 8.975 -26.463 16.878 0.00 0.00 WAT1 ATOM 4306 H1 TIP3 978 9.414 -25.852 16.287 0.00 0.00 WAT1 ATOM 4307 H2 TIP3 978 8.341 -25.925 17.352 0.00 0.00 WAT1 ATOM 4308 OH2 TIP3 979 10.836 -24.547 15.321 0.00 0.00 WAT1 ATOM 4309 H1 TIP3 979 11.327 -25.177 14.793 0.00 0.00 WAT1 ATOM 4310 H2 TIP3 979 11.459 -24.251 15.984 0.00 0.00 WAT1 ATOM 4311 OH2 TIP3 980 12.069 -26.396 32.128 0.00 0.00 WAT1 ATOM 4312 H1 TIP3 980 12.968 -26.670 31.943 0.00 0.00 WAT1 ATOM 4313 H2 TIP3 980 11.683 -27.139 32.592 0.00 0.00 WAT1 ATOM 4314 OH2 TIP3 981 10.694 -9.595 14.801 0.00 0.00 WAT1 ATOM 4315 H1 TIP3 981 10.426 -9.308 15.674 0.00 0.00 WAT1 ATOM 4316 H2 TIP3 981 11.465 -10.141 14.953 0.00 0.00 WAT1 ATOM 4317 OH2 TIP3 982 8.664 -22.647 35.855 0.00 0.00 WAT1 ATOM 4318 H1 TIP3 982 9.138 -22.056 35.270 0.00 0.00 WAT1 ATOM 4319 H2 TIP3 982 7.946 -22.116 36.202 0.00 0.00 WAT1 ATOM 4320 OH2 TIP3 983 9.702 -20.926 33.964 0.00 0.00 WAT1 ATOM 4321 H1 TIP3 983 9.657 -19.987 34.143 0.00 0.00 WAT1 ATOM 4322 H2 TIP3 983 8.814 -21.162 33.694 0.00 0.00 WAT1 ATOM 4323 OH2 TIP3 984 7.698 -24.506 37.756 0.00 0.00 WAT1 ATOM 4324 H1 TIP3 984 6.773 -24.297 37.626 0.00 0.00 WAT1 ATOM 4325 H2 TIP3 984 8.152 -24.022 37.066 0.00 0.00 WAT1 ATOM 4326 OH2 TIP3 985 8.975 -26.463 35.734 0.00 0.00 WAT1 ATOM 4327 H1 TIP3 985 9.414 -25.852 35.143 0.00 0.00 WAT1 ATOM 4328 H2 TIP3 985 8.341 -25.925 36.208 0.00 0.00 WAT1 ATOM 4329 OH2 TIP3 986 10.836 -24.547 34.177 0.00 0.00 WAT1 ATOM 4330 H1 TIP3 986 11.327 -25.177 33.649 0.00 0.00 WAT1 ATOM 4331 H2 TIP3 986 11.459 -24.251 34.840 0.00 0.00 WAT1 ATOM 4332 OH2 TIP3 987 7.662 -6.912 8.388 0.00 0.00 WAT1 ATOM 4333 H1 TIP3 987 6.997 -7.158 9.031 0.00 0.00 WAT1 ATOM 4334 H2 TIP3 987 7.219 -6.290 7.811 0.00 0.00 WAT1 ATOM 4335 OH2 TIP3 988 10.096 -6.891 11.736 0.00 0.00 WAT1 ATOM 4336 H1 TIP3 988 9.730 -7.656 12.179 0.00 0.00 WAT1 ATOM 4337 H2 TIP3 988 11.009 -6.862 12.023 0.00 0.00 WAT1 ATOM 4338 OH2 TIP3 989 12.069 -7.540 13.272 0.00 0.00 WAT1 ATOM 4339 H1 TIP3 989 12.968 -7.814 13.087 0.00 0.00 WAT1 ATOM 4340 H2 TIP3 989 11.683 -8.283 13.736 0.00 0.00 WAT1 ATOM 4341 OH2 TIP3 990 7.389 -4.537 21.575 0.00 0.00 WAT1 ATOM 4342 H1 TIP3 990 8.020 -4.566 22.295 0.00 0.00 WAT1 ATOM 4343 H2 TIP3 990 7.839 -4.962 20.845 0.00 0.00 WAT1 ATOM 4344 OH2 TIP3 991 7.698 -5.650 18.900 0.00 0.00 WAT1 ATOM 4345 H1 TIP3 991 6.773 -5.441 18.770 0.00 0.00 WAT1 ATOM 4346 H2 TIP3 991 8.152 -5.166 18.210 0.00 0.00 WAT1 ATOM 4347 OH2 TIP3 992 10.138 -7.405 21.075 0.00 0.00 WAT1 ATOM 4348 H1 TIP3 992 9.361 -7.639 20.567 0.00 0.00 WAT1 ATOM 4349 H2 TIP3 992 10.669 -8.202 21.083 0.00 0.00 WAT1 ATOM 4350 OH2 TIP3 993 8.975 -7.607 16.878 0.00 0.00 WAT1 ATOM 4351 H1 TIP3 993 9.414 -6.996 16.287 0.00 0.00 WAT1 ATOM 4352 H2 TIP3 993 8.341 -7.069 17.352 0.00 0.00 WAT1 ATOM 4353 OH2 TIP3 994 10.836 -5.691 15.321 0.00 0.00 WAT1 ATOM 4354 H1 TIP3 994 11.327 -6.321 14.793 0.00 0.00 WAT1 ATOM 4355 H2 TIP3 994 11.459 -5.395 15.984 0.00 0.00 WAT1 END