REMARK FILENAME="/farm/data/gliu/projects/HR4495E/cns/calc15/refinedPDB_w/res" 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:13-Sep-2010 14:06:14 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 16.053 -13.918 -4.971 1.00 74.24 ATOM 2 CB MET 1 15.115 -12.524 -6.308 1.00 60.02 ATOM 3 HB1 MET 1 15.086 -11.445 -6.407 1.00 38.50 ATOM 4 HB2 MET 1 14.102 -12.899 -6.389 1.00 4.32 ATOM 5 CG MET 1 15.907 -13.113 -7.464 1.00 73.52 ATOM 6 HG1 MET 1 15.251 -13.177 -8.320 1.00 38.50 ATOM 7 HG2 MET 1 16.242 -14.109 -7.201 1.00 32.43 ATOM 8 SD MET 1 17.345 -12.117 -7.901 1.00 34.02 ATOM 9 CE MET 1 17.319 -12.250 -9.687 1.00 13.42 ATOM 10 HE1 MET 1 17.410 -13.288 -9.972 1.00 12.44 ATOM 11 HE2 MET 1 18.144 -11.689 -10.102 1.00 4.22 ATOM 12 HE3 MET 1 16.388 -11.853 -10.064 1.00 62.24 ATOM 13 C MET 1 16.791 -11.965 -4.537 1.00 21.41 ATOM 14 O MET 1 17.963 -12.339 -4.559 1.00 72.40 ATOM 15 N MET 1 14.594 -12.889 -3.939 1.00 73.43 ATOM 16 HT1 MET 1 14.976 -13.095 -2.990 1.00 38.50 ATOM 17 HT2 MET 1 13.883 -13.616 -4.166 1.00 38.50 ATOM 18 HT3 MET 1 14.119 -11.963 -3.913 1.00 38.50 ATOM 19 CA MET 1 15.661 -12.911 -4.933 1.00 3.15 ATOM 20 N GLY 2 16.430 -10.738 -4.175 1.00 44.32 ATOM 21 HN GLY 2 15.477 -10.507 -4.140 1.00 38.50 ATOM 22 CA GLY 2 17.426 -9.758 -3.780 1.00 73.14 ATOM 23 HA1 GLY 2 18.258 -9.788 -4.474 1.00 38.50 ATOM 24 HA2 GLY 2 17.787 -10.007 -2.793 1.00 44.55 ATOM 25 C GLY 2 16.872 -8.347 -3.755 1.00 63.21 ATOM 26 O GLY 2 17.360 -7.494 -3.013 1.00 22.33 ATOM 27 N HIS 3 15.851 -8.099 -4.569 1.00 45.35 ATOM 28 HN HIS 3 15.510 -8.802 -5.164 1.00 38.50 ATOM 29 CA HIS 3 15.232 -6.780 -4.638 1.00 72.13 ATOM 30 HA HIS 3 15.982 -6.035 -4.390 1.00 52.31 ATOM 31 CB HIS 3 14.715 -6.509 -6.052 1.00 20.34 ATOM 32 HB1 HIS 3 13.730 -6.942 -6.177 1.00 38.50 ATOM 33 HB2 HIS 3 15.388 -6.964 -6.766 1.00 43.55 ATOM 34 CG HIS 3 14.630 -5.053 -6.389 1.00 54.32 ATOM 35 ND1 HIS 3 13.462 -4.442 -6.796 1.00 3.41 ATOM 36 HD1 HIS 3 12.593 -4.882 -6.905 1.00 10.30 ATOM 37 CD2 HIS 3 15.575 -4.084 -6.377 1.00 60.11 ATOM 38 HD2 HIS 3 16.614 -4.206 -6.105 1.00 74.42 ATOM 39 CE1 HIS 3 13.694 -3.161 -7.021 1.00 52.40 ATOM 40 HE1 HIS 3 12.965 -2.435 -7.350 1.00 15.25 ATOM 41 NE2 HIS 3 14.968 -2.918 -6.774 1.00 3.22 ATOM 42 HE2 HIS 3 15.426 -2.069 -6.950 1.00 38.50 ATOM 43 C HIS 3 14.088 -6.664 -3.635 1.00 23.21 ATOM 44 O HIS 3 14.036 -5.722 -2.844 1.00 1.13 ATOM 45 N HIS 4 13.173 -7.628 -3.673 1.00 44.25 ATOM 46 HN HIS 4 13.269 -8.367 -4.319 1.00 38.50 ATOM 47 CA HIS 4 12.030 -7.633 -2.767 1.00 63.45 ATOM 48 HA HIS 4 11.958 -6.653 -2.307 1.00 3.42 ATOM 49 CB HIS 4 10.741 -7.909 -3.541 1.00 53.34 ATOM 50 HB1 HIS 4 10.599 -8.976 -3.661 1.00 38.50 ATOM 51 HB2 HIS 4 10.813 -7.455 -4.520 1.00 32.44 ATOM 52 CG HIS 4 9.516 -7.351 -2.883 1.00 45.11 ATOM 53 ND1 HIS 4 8.302 -8.005 -2.875 1.00 4.43 ATOM 54 HD1 HIS 4 8.117 -8.875 -3.286 1.00 71.15 ATOM 55 CD2 HIS 4 9.324 -6.194 -2.207 1.00 20.32 ATOM 56 HD2 HIS 4 10.066 -5.432 -2.017 1.00 34.05 ATOM 57 CE1 HIS 4 7.416 -7.273 -2.223 1.00 73.53 ATOM 58 HE1 HIS 4 6.381 -7.534 -2.057 1.00 72.30 ATOM 59 NE2 HIS 4 8.010 -6.170 -1.807 1.00 44.13 ATOM 60 HE2 HIS 4 7.607 -5.500 -1.216 1.00 38.50 ATOM 61 C HIS 4 12.212 -8.678 -1.670 1.00 51.22 ATOM 62 O HIS 4 12.268 -9.877 -1.944 1.00 23.23 ATOM 63 N HIS 5 12.304 -8.214 -0.428 1.00 33.12 ATOM 64 HN HIS 5 12.242 -7.244 -0.262 1.00 38.50 ATOM 65 CA HIS 5 12.479 -9.108 0.711 1.00 23.40 ATOM 66 HA HIS 5 12.765 -10.090 0.347 1.00 61.31 ATOM 67 CB HIS 5 13.600 -8.600 1.618 1.00 42.31 ATOM 68 HB1 HIS 5 13.730 -9.287 2.444 1.00 38.50 ATOM 69 HB2 HIS 5 13.332 -7.627 2.005 1.00 32.22 ATOM 70 CG HIS 5 14.920 -8.468 0.922 1.00 1.15 ATOM 71 ND1 HIS 5 15.552 -7.258 0.731 1.00 5.42 ATOM 72 HD1 HIS 5 15.215 -6.384 1.020 1.00 24.13 ATOM 73 CD2 HIS 5 15.728 -9.404 0.373 1.00 64.13 ATOM 74 HD2 HIS 5 15.542 -10.467 0.334 1.00 61.42 ATOM 75 CE1 HIS 5 16.692 -7.455 0.092 1.00 11.24 ATOM 76 HE1 HIS 5 17.397 -6.688 -0.193 1.00 1.02 ATOM 77 NE2 HIS 5 16.823 -8.749 -0.137 1.00 34.05 ATOM 78 HE2 HIS 5 17.622 -9.179 -0.507 1.00 38.50 ATOM 79 C HIS 5 11.184 -9.236 1.506 1.00 14.04 ATOM 80 O HIS 5 10.696 -8.261 2.079 1.00 51.32 ATOM 81 N HIS 6 10.630 -10.444 1.537 1.00 22.23 ATOM 82 HN HIS 6 11.055 -11.190 1.053 1.00 38.50 ATOM 83 CA HIS 6 9.391 -10.699 2.263 1.00 74.04 ATOM 84 HA HIS 6 9.171 -9.855 2.905 1.00 64.34 ATOM 85 CB HIS 6 8.230 -10.879 1.284 1.00 61.34 ATOM 86 HB1 HIS 6 8.072 -9.948 0.758 1.00 38.50 ATOM 87 HB2 HIS 6 7.330 -11.130 1.830 1.00 1.35 ATOM 88 CG HIS 6 8.470 -11.946 0.260 1.00 31.54 ATOM 89 ND1 HIS 6 9.330 -11.788 -0.805 1.00 44.43 ATOM 90 HD1 HIS 6 9.858 -10.986 -0.999 1.00 75.33 ATOM 91 CD2 HIS 6 7.957 -13.194 0.145 1.00 2.13 ATOM 92 HD2 HIS 6 7.244 -13.658 0.812 1.00 3.10 ATOM 93 CE1 HIS 6 9.335 -12.890 -1.533 1.00 23.45 ATOM 94 HE1 HIS 6 9.915 -13.053 -2.429 1.00 30.45 ATOM 95 NE2 HIS 6 8.511 -13.760 -0.977 1.00 14.31 ATOM 96 HE2 HIS 6 8.255 -14.623 -1.365 1.00 38.50 ATOM 97 C HIS 6 9.523 -11.935 3.147 1.00 73.54 ATOM 98 O HIS 6 8.732 -12.874 3.041 1.00 2.24 ATOM 99 N HIS 7 10.527 -11.930 4.017 1.00 22.12 ATOM 100 HN HIS 7 11.133 -11.156 4.062 1.00 38.50 ATOM 101 CA HIS 7 10.763 -13.052 4.920 1.00 51.44 ATOM 102 HA HIS 7 11.643 -12.828 5.504 1.00 72.15 ATOM 103 CB HIS 7 9.573 -13.234 5.862 1.00 1.44 ATOM 104 HB1 HIS 7 9.854 -13.923 6.632 1.00 38.50 ATOM 105 HB2 HIS 7 8.728 -13.634 5.321 1.00 5.31 ATOM 106 CG HIS 7 9.133 -11.964 6.523 1.00 13.32 ATOM 107 ND1 HIS 7 8.036 -11.239 6.106 1.00 21.30 ATOM 108 HD1 HIS 7 7.448 -11.470 5.357 1.00 60.44 ATOM 109 CD2 HIS 7 9.647 -11.290 7.579 1.00 61.52 ATOM 110 HD2 HIS 7 10.515 -11.572 8.158 1.00 15.30 ATOM 111 CE1 HIS 7 7.896 -10.175 6.875 1.00 10.43 ATOM 112 HE1 HIS 7 7.123 -9.427 6.783 1.00 21.24 ATOM 113 NE2 HIS 7 8.861 -10.182 7.777 1.00 33.44 ATOM 114 HE2 HIS 7 9.048 -9.458 8.410 1.00 38.50 ATOM 115 C HIS 7 11.007 -14.337 4.136 1.00 63.53 ATOM 116 O HIS 7 10.557 -15.413 4.532 1.00 71.15 ATOM 117 N HIS 8 11.723 -14.219 3.022 1.00 53.14 ATOM 118 HN HIS 8 12.079 -13.336 2.763 1.00 38.50 ATOM 119 CA HIS 8 12.027 -15.372 2.182 1.00 72.11 ATOM 120 HA HIS 8 11.100 -15.887 1.964 1.00 63.50 ATOM 121 CB HIS 8 12.656 -14.918 0.864 1.00 32.52 ATOM 122 HB1 HIS 8 12.008 -14.190 0.397 1.00 38.50 ATOM 123 HB2 HIS 8 12.759 -15.771 0.209 1.00 43.51 ATOM 124 CG HIS 8 14.009 -14.299 1.029 1.00 44.03 ATOM 125 ND1 HIS 8 15.160 -15.039 1.198 1.00 23.33 ATOM 126 HD1 HIS 8 15.212 -16.017 1.228 1.00 44.02 ATOM 127 CD2 HIS 8 14.393 -13.001 1.047 1.00 13.01 ATOM 128 HD2 HIS 8 13.748 -12.140 0.939 1.00 51.24 ATOM 129 CE1 HIS 8 16.193 -14.223 1.316 1.00 73.43 ATOM 130 HE1 HIS 8 17.221 -14.521 1.459 1.00 14.13 ATOM 131 NE2 HIS 8 15.754 -12.981 1.227 1.00 51.21 ATOM 132 HE2 HIS 8 16.282 -12.186 1.447 1.00 38.50 ATOM 133 C HIS 8 12.965 -16.336 2.902 1.00 71.12 ATOM 134 O HIS 8 12.933 -17.543 2.663 1.00 33.33 ATOM 135 N SER 9 13.800 -15.795 3.783 1.00 40.42 ATOM 136 HN SER 9 13.793 -14.821 3.929 1.00 38.50 ATOM 137 CA SER 9 14.750 -16.606 4.534 1.00 25.11 ATOM 138 HA SER 9 15.307 -17.212 3.828 1.00 44.03 ATOM 139 CB SER 9 15.734 -15.710 5.289 1.00 11.30 ATOM 140 HB1 SER 9 15.232 -14.806 5.611 1.00 38.50 ATOM 141 HB2 SER 9 16.552 -15.450 4.634 1.00 41.13 ATOM 142 OG SER 9 16.258 -16.372 6.427 1.00 71.32 ATOM 143 HG SER 9 15.736 -16.150 7.203 1.00 33.44 ATOM 144 C SER 9 14.026 -17.524 5.514 1.00 12.31 ATOM 145 O SER 9 12.961 -17.183 6.030 1.00 72.10 ATOM 146 N HIS 10 14.611 -18.690 5.766 1.00 23.23 ATOM 147 HN HIS 10 15.469 -18.904 5.327 1.00 38.50 ATOM 148 CA HIS 10 14.023 -19.658 6.685 1.00 73.31 ATOM 149 HA HIS 10 12.979 -19.786 6.414 1.00 42.30 ATOM 150 CB HIS 10 14.731 -21.007 6.560 1.00 21.53 ATOM 151 HB1 HIS 10 14.407 -21.663 7.359 1.00 38.50 ATOM 152 HB2 HIS 10 15.797 -20.854 6.638 1.00 24.43 ATOM 153 CG HIS 10 14.463 -21.707 5.263 1.00 30.24 ATOM 154 ND1 HIS 10 13.642 -22.810 5.159 1.00 31.00 ATOM 155 HD1 HIS 10 13.163 -23.239 5.899 1.00 11.54 ATOM 156 CD2 HIS 10 14.911 -21.454 4.012 1.00 44.13 ATOM 157 HD2 HIS 10 15.579 -20.656 3.720 1.00 32.44 ATOM 158 CE1 HIS 10 13.598 -23.206 3.899 1.00 2.05 ATOM 159 HE1 HIS 10 13.034 -24.045 3.520 1.00 54.43 ATOM 160 NE2 HIS 10 14.360 -22.399 3.182 1.00 32.45 ATOM 161 HE2 HIS 10 14.428 -22.407 2.204 1.00 38.50 ATOM 162 C HIS 10 14.103 -19.159 8.125 1.00 73.44 ATOM 163 O HIS 10 15.136 -18.650 8.558 1.00 14.22 ATOM 164 N MET 11 13.006 -19.309 8.860 1.00 74.25 ATOM 165 HN MET 11 12.211 -19.739 8.465 1.00 38.50 ATOM 166 CA MET 11 12.953 -18.874 10.250 1.00 13.04 ATOM 167 HA MET 11 13.657 -18.057 10.384 1.00 31.23 ATOM 168 CB MET 11 11.553 -18.362 10.594 1.00 53.21 ATOM 169 HB1 MET 11 11.492 -18.176 11.660 1.00 38.50 ATOM 170 HB2 MET 11 10.839 -19.131 10.332 1.00 22.34 ATOM 171 CG MET 11 11.182 -17.077 9.872 1.00 13.51 ATOM 172 HG1 MET 11 11.490 -17.155 8.837 1.00 38.50 ATOM 173 HG2 MET 11 11.705 -16.256 10.339 1.00 24.13 ATOM 174 SD MET 11 9.412 -16.736 9.925 1.00 32.21 ATOM 175 CE MET 11 9.205 -15.786 8.421 1.00 75.31 ATOM 176 HE1 MET 11 8.153 -15.687 8.199 1.00 13.14 ATOM 177 HE2 MET 11 9.701 -16.289 7.604 1.00 31.33 ATOM 178 HE3 MET 11 9.637 -14.807 8.559 1.00 12.35 ATOM 179 C MET 11 13.336 -20.012 11.191 1.00 35.11 ATOM 180 O MET 11 12.874 -21.142 11.033 1.00 4.43 ATOM 181 N ASN 12 14.182 -19.706 12.169 1.00 33.23 ATOM 182 HN ASN 12 14.511 -18.779 12.251 1.00 38.50 ATOM 183 CA ASN 12 14.627 -20.704 13.135 1.00 71.52 ATOM 184 HA ASN 12 14.959 -21.580 12.585 1.00 24.04 ATOM 185 CB ASN 12 15.805 -20.166 13.950 1.00 74.30 ATOM 186 HB1 ASN 12 16.035 -20.852 14.757 1.00 38.50 ATOM 187 HB2 ASN 12 15.520 -19.213 14.362 1.00 2.40 ATOM 188 CG ASN 12 17.046 -19.959 13.105 1.00 64.35 ATOM 189 OD1 ASN 12 16.998 -19.311 12.059 1.00 3.22 ATOM 190 ND2 ASN 12 18.167 -20.512 13.555 1.00 41.35 ATOM 191 HD21 ASN 12 18.149 -21.021 14.397 1.00 54.30 ATOM 192 HD22 ASN 12 18.980 -20.389 13.022 1.00 71.01 ATOM 193 C ASN 12 13.488 -21.104 14.068 1.00 23.22 ATOM 194 O ASN 12 13.068 -20.323 14.922 1.00 43.02 ATOM 195 N SER 13 12.994 -22.326 13.900 1.00 74.32 ATOM 196 HN SER 13 13.375 -22.910 13.201 1.00 38.50 ATOM 197 CA SER 13 11.901 -22.829 14.725 1.00 64.33 ATOM 198 HA SER 13 11.055 -22.165 14.606 1.00 72.24 ATOM 199 CB SER 13 11.494 -24.232 14.269 1.00 55.55 ATOM 200 HB1 SER 13 11.002 -24.760 15.078 1.00 38.50 ATOM 201 HB2 SER 13 12.372 -24.785 13.968 1.00 34.52 ATOM 202 OG SER 13 10.599 -24.171 13.171 1.00 43.31 ATOM 203 HG SER 13 9.711 -23.984 13.487 1.00 61.53 ATOM 204 C SER 13 12.301 -22.857 16.197 1.00 70.31 ATOM 205 O SER 13 11.458 -22.722 17.083 1.00 73.22 ATOM 206 N ALA 14 13.594 -23.034 16.449 1.00 12.23 ATOM 207 HN ALA 14 14.227 -23.162 15.705 1.00 38.50 ATOM 208 CA ALA 14 14.107 -23.078 17.813 1.00 52.31 ATOM 209 HA ALA 14 13.491 -23.754 18.389 1.00 2.44 ATOM 210 CB ALA 14 15.529 -23.617 17.824 1.00 24.35 ATOM 211 HB1 ALA 14 16.125 -23.066 17.111 1.00 14.45 ATOM 212 HB2 ALA 14 15.518 -24.661 17.550 1.00 31.03 ATOM 213 HB3 ALA 14 15.962 -23.510 18.808 1.00 25.44 ATOM 214 C ALA 14 14.057 -21.699 18.463 1.00 34.30 ATOM 215 O ALA 14 13.777 -21.576 19.655 1.00 3.40 ATOM 216 N GLU 15 14.329 -20.666 17.672 1.00 65.52 ATOM 217 HN GLU 15 14.563 -20.824 16.727 1.00 38.50 ATOM 218 CA GLU 15 14.317 -19.297 18.172 1.00 35.05 ATOM 219 HA GLU 15 15.078 -19.214 18.938 1.00 34.04 ATOM 220 CB GLU 15 14.625 -18.314 17.041 1.00 13.13 ATOM 221 HB1 GLU 15 14.190 -17.349 17.283 1.00 38.50 ATOM 222 HB2 GLU 15 14.181 -18.670 16.128 1.00 55.44 ATOM 223 CG GLU 15 16.111 -18.114 16.797 1.00 51.13 ATOM 224 HG1 GLU 15 16.476 -18.885 16.150 1.00 38.50 ATOM 225 HG2 GLU 15 16.634 -18.175 17.744 1.00 41.13 ATOM 226 CD GLU 15 16.425 -16.762 16.186 1.00 0.22 ATOM 227 OE1 GLU 15 16.329 -15.748 16.908 1.00 1.41 ATOM 228 OE2 GLU 15 16.767 -16.719 14.986 1.00 42.32 ATOM 229 C GLU 15 12.967 -18.960 18.800 1.00 21.14 ATOM 230 O GLU 15 12.902 -18.443 19.915 1.00 23.23 ATOM 231 N GLN 16 11.893 -19.257 18.076 1.00 43.45 ATOM 232 HN GLN 16 12.018 -19.652 17.184 1.00 38.50 ATOM 233 CA GLN 16 10.546 -18.984 18.561 1.00 54.12 ATOM 234 HA GLN 16 10.507 -17.955 18.896 1.00 62.23 ATOM 235 CB GLN 16 9.528 -19.169 17.434 1.00 32.30 ATOM 236 HB1 GLN 16 9.752 -18.460 16.649 1.00 38.50 ATOM 237 HB2 GLN 16 8.536 -18.964 17.817 1.00 3.10 ATOM 238 CG GLN 16 9.536 -20.564 16.830 1.00 21.31 ATOM 239 HG1 GLN 16 9.362 -21.295 17.601 1.00 38.50 ATOM 240 HG2 GLN 16 10.493 -20.736 16.375 1.00 20.32 ATOM 241 CD GLN 16 8.477 -20.743 15.760 1.00 21.42 ATOM 242 OE1 GLN 16 7.929 -19.769 15.244 1.00 61.13 ATOM 243 NE2 GLN 16 8.183 -21.993 15.421 1.00 22.10 ATOM 244 HE21 GLN 16 8.653 -22.734 15.867 1.00 44.22 ATOM 245 HE22 GLN 16 7.501 -22.129 14.731 1.00 60.01 ATOM 246 C GLN 16 10.195 -19.894 19.734 1.00 52.35 ATOM 247 O GLN 16 9.505 -19.483 20.667 1.00 32.45 ATOM 248 N THR 17 10.674 -21.133 19.679 1.00 2.42 ATOM 249 HN THR 17 11.206 -21.417 18.900 1.00 38.50 ATOM 250 CA THR 17 10.410 -22.101 20.736 1.00 63.34 ATOM 251 HA THR 17 9.340 -22.255 20.791 1.00 20.43 ATOM 252 CB THR 17 11.077 -23.457 20.434 1.00 2.34 ATOM 253 HB THR 17 12.133 -23.306 20.353 1.00 40.03 ATOM 254 OG1 THR 17 10.593 -23.976 19.191 1.00 54.41 ATOM 255 HG1 THR 17 9.635 -24.100 19.217 1.00 55.13 ATOM 256 CG2 THR 17 10.801 -24.455 21.548 1.00 21.15 ATOM 257 HG21 THR 17 11.366 -24.191 22.428 1.00 33.43 ATOM 258 HG22 THR 17 11.097 -25.440 21.220 1.00 1.40 ATOM 259 HG23 THR 17 9.745 -24.463 21.785 1.00 73.31 ATOM 260 C THR 17 10.906 -21.593 22.084 1.00 12.54 ATOM 261 O THR 17 10.195 -21.668 23.087 1.00 40.52 ATOM 262 N VAL 18 12.130 -21.074 22.103 1.00 54.21 ATOM 263 HN VAL 18 12.634 -21.021 21.261 1.00 38.50 ATOM 264 CA VAL 18 12.720 -20.550 23.329 1.00 33.51 ATOM 265 HA VAL 18 12.856 -21.378 24.013 1.00 60.34 ATOM 266 CB VAL 18 14.094 -19.908 23.061 1.00 15.20 ATOM 267 HB VAL 18 13.957 -19.063 22.398 1.00 4.42 ATOM 268 CG1 VAL 18 14.708 -19.400 24.357 1.00 54.14 ATOM 269 HG11 VAL 18 15.785 -19.333 24.267 1.00 54.04 ATOM 270 HG12 VAL 18 14.453 -20.062 25.165 1.00 12.11 ATOM 271 HG13 VAL 18 14.312 -18.418 24.571 1.00 74.43 ATOM 272 CG2 VAL 18 15.021 -20.900 22.375 1.00 14.11 ATOM 273 HG21 VAL 18 15.963 -20.419 22.155 1.00 75.44 ATOM 274 HG22 VAL 18 14.593 -21.252 21.470 1.00 52.01 ATOM 275 HG23 VAL 18 15.199 -21.732 23.035 1.00 32.00 ATOM 276 C VAL 18 11.807 -19.518 23.981 1.00 33.44 ATOM 277 O VAL 18 11.530 -19.586 25.180 1.00 62.03 ATOM 278 N THR 19 11.340 -18.562 23.185 1.00 54.11 ATOM 279 HN THR 19 11.593 -18.560 22.231 1.00 38.50 ATOM 280 CA THR 19 10.458 -17.514 23.684 1.00 32.52 ATOM 281 HA THR 19 10.902 -17.091 24.575 1.00 72.35 ATOM 282 CB THR 19 10.287 -16.384 22.652 1.00 60.34 ATOM 283 HB THR 19 9.794 -16.782 21.774 1.00 43.35 ATOM 284 OG1 THR 19 11.569 -15.872 22.269 1.00 35.42 ATOM 285 HG1 THR 19 11.965 -16.451 21.613 1.00 3.43 ATOM 286 CG2 THR 19 9.434 -15.259 23.217 1.00 11.01 ATOM 287 HG21 THR 19 9.800 -14.972 24.194 1.00 72.33 ATOM 288 HG22 THR 19 8.407 -15.581 23.296 1.00 4.13 ATOM 289 HG23 THR 19 9.488 -14.408 22.555 1.00 71.40 ATOM 290 C THR 19 9.085 -18.074 24.040 1.00 62.34 ATOM 291 O THR 19 8.412 -17.569 24.938 1.00 24.33 ATOM 292 N TRP 20 8.676 -19.120 23.330 1.00 43.41 ATOM 293 HN TRP 20 9.242 -19.470 22.606 1.00 38.50 ATOM 294 CA TRP 20 7.383 -19.749 23.572 1.00 52.42 ATOM 295 HA TRP 20 6.615 -18.995 23.460 1.00 10.13 ATOM 296 CB TRP 20 7.133 -20.858 22.549 1.00 54.23 ATOM 297 HB1 TRP 20 7.947 -21.560 22.580 1.00 38.50 ATOM 298 HB2 TRP 20 7.080 -20.421 21.563 1.00 1.13 ATOM 299 CG TRP 20 5.859 -21.610 22.788 1.00 74.12 ATOM 300 CD1 TRP 20 4.617 -21.077 22.988 1.00 23.13 ATOM 301 HD1 TRP 20 4.403 -20.018 22.998 1.00 24.14 ATOM 302 CD2 TRP 20 5.702 -23.032 22.853 1.00 3.23 ATOM 303 NE1 TRP 20 3.699 -22.082 23.175 1.00 53.15 ATOM 304 HE1 TRP 20 2.741 -21.954 23.342 1.00 62.30 ATOM 305 CE2 TRP 20 4.339 -23.290 23.095 1.00 32.24 ATOM 306 CE3 TRP 20 6.581 -24.112 22.729 1.00 54.51 ATOM 307 HE3 TRP 20 7.634 -23.957 22.543 1.00 2.41 ATOM 308 CZ2 TRP 20 3.837 -24.583 23.216 1.00 33.22 ATOM 309 HZ2 TRP 20 2.790 -24.774 23.401 1.00 12.12 ATOM 310 CZ3 TRP 20 6.081 -25.394 22.849 1.00 33.14 ATOM 311 HZ3 TRP 20 6.740 -26.238 22.762 1.00 74.13 ATOM 312 CH2 TRP 20 4.719 -25.621 23.090 1.00 21.52 ATOM 313 HH2 TRP 20 4.383 -26.625 23.171 1.00 11.34 ATOM 314 C TRP 20 7.310 -20.317 24.985 1.00 73.24 ATOM 315 O TRP 20 6.284 -20.205 25.657 1.00 31.14 ATOM 316 N LEU 21 8.403 -20.927 25.429 1.00 33.34 ATOM 317 HN LEU 21 9.196 -20.993 24.845 1.00 38.50 ATOM 318 CA LEU 21 8.462 -21.514 26.764 1.00 43.42 ATOM 319 HA LEU 21 7.564 -22.091 26.925 1.00 71.30 ATOM 320 CB LEU 21 9.679 -22.433 26.885 1.00 51.05 ATOM 321 HB1 LEU 21 9.735 -22.784 27.907 1.00 38.50 ATOM 322 HB2 LEU 21 10.564 -21.846 26.676 1.00 24.13 ATOM 323 CG LEU 21 9.688 -23.657 25.969 1.00 63.43 ATOM 324 HG LEU 21 9.682 -23.328 24.940 1.00 42.34 ATOM 325 CD1 LEU 21 10.947 -24.481 26.191 1.00 3.15 ATOM 326 HD11 LEU 21 11.818 -23.871 25.995 1.00 2.32 ATOM 327 HD12 LEU 21 10.949 -25.329 25.519 1.00 13.40 ATOM 328 HD13 LEU 21 10.978 -24.833 27.213 1.00 62.13 ATOM 329 CD2 LEU 21 8.446 -24.506 26.200 1.00 42.34 ATOM 330 HD21 LEU 21 7.566 -23.951 25.915 1.00 5.15 ATOM 331 HD22 LEU 21 8.377 -24.781 27.243 1.00 13.03 ATOM 332 HD23 LEU 21 8.506 -25.404 25.598 1.00 44.31 ATOM 333 C LEU 21 8.523 -20.428 27.833 1.00 10.15 ATOM 334 O LEU 21 8.008 -20.602 28.938 1.00 13.12 ATOM 335 N ILE 22 9.154 -19.308 27.497 1.00 54.20 ATOM 336 HN ILE 22 9.555 -19.221 26.601 1.00 38.50 ATOM 337 CA ILE 22 9.278 -18.193 28.428 1.00 41.25 ATOM 338 HA ILE 22 9.563 -18.583 29.392 1.00 3.12 ATOM 339 CB ILE 22 10.357 -17.195 27.969 1.00 45.52 ATOM 340 HB ILE 22 10.058 -16.793 27.009 1.00 32.25 ATOM 341 CG1 ILE 22 11.707 -17.900 27.823 1.00 21.40 ATOM 342 HG11 ILE 22 11.577 -18.866 27.369 1.00 38.50 ATOM 343 HG12 ILE 22 12.150 -18.039 28.800 1.00 73.34 ATOM 344 CG2 ILE 22 10.462 -16.038 28.952 1.00 32.30 ATOM 345 HG21 ILE 22 10.728 -16.413 29.931 1.00 25.22 ATOM 346 HG22 ILE 22 9.523 -15.510 29.012 1.00 52.32 ATOM 347 HG23 ILE 22 11.217 -15.349 28.618 1.00 30.13 ATOM 348 CD1 ILE 22 12.702 -17.134 26.979 1.00 32.34 ATOM 349 HD11 ILE 22 12.497 -17.311 25.936 1.00 43.34 ATOM 350 HD12 ILE 22 13.698 -17.477 27.206 1.00 60.55 ATOM 351 HD13 ILE 22 12.635 -16.076 27.182 1.00 2.24 ATOM 352 C ILE 22 7.952 -17.455 28.582 1.00 25.35 ATOM 353 O ILE 22 7.461 -17.264 29.696 1.00 64.05 ATOM 354 N THR 23 7.375 -17.044 27.458 1.00 43.23 ATOM 355 HN THR 23 7.817 -17.225 26.596 1.00 38.50 ATOM 356 CA THR 23 6.106 -16.328 27.467 1.00 11.15 ATOM 357 HA THR 23 6.256 -15.385 27.975 1.00 14.11 ATOM 358 CB THR 23 5.617 -16.031 26.037 1.00 22.32 ATOM 359 HB THR 23 6.406 -15.522 25.501 1.00 5.03 ATOM 360 OG1 THR 23 4.460 -15.189 26.080 1.00 42.43 ATOM 361 HG1 THR 23 4.730 -14.276 26.206 1.00 61.05 ATOM 362 CG2 THR 23 5.285 -17.320 25.301 1.00 62.25 ATOM 363 HG21 THR 23 5.096 -17.095 24.262 1.00 34.41 ATOM 364 HG22 THR 23 4.407 -17.779 25.728 1.00 30.13 ATOM 365 HG23 THR 23 6.111 -17.988 25.370 1.00 30.41 ATOM 366 C THR 23 5.033 -17.121 28.205 1.00 60.24 ATOM 367 O THR 23 4.130 -16.546 28.815 1.00 64.44 ATOM 368 N LEU 24 5.137 -18.444 28.146 1.00 71.24 ATOM 369 HN LEU 24 5.859 -18.856 27.618 1.00 38.50 ATOM 370 CA LEU 24 4.175 -19.318 28.809 1.00 10.40 ATOM 371 HA LEU 24 3.177 -18.983 28.551 1.00 51.33 ATOM 372 CB LEU 24 4.355 -20.761 28.335 1.00 52.34 ATOM 373 HB1 LEU 24 4.034 -21.435 29.125 1.00 38.50 ATOM 374 HB2 LEU 24 5.416 -20.924 28.181 1.00 42.13 ATOM 375 CG LEU 24 3.613 -21.144 27.054 1.00 54.53 ATOM 376 HG LEU 24 3.625 -20.308 26.367 1.00 41.34 ATOM 377 CD1 LEU 24 4.300 -22.314 26.368 1.00 31.11 ATOM 378 HD11 LEU 24 3.566 -23.020 26.003 1.00 32.02 ATOM 379 HD12 LEU 24 4.964 -22.812 27.055 1.00 60.34 ATOM 380 HD13 LEU 24 4.869 -21.954 25.535 1.00 44.31 ATOM 381 CD2 LEU 24 2.160 -21.480 27.359 1.00 2.12 ATOM 382 HD21 LEU 24 1.643 -21.723 26.441 1.00 32.35 ATOM 383 HD22 LEU 24 1.680 -20.628 27.821 1.00 71.20 ATOM 384 HD23 LEU 24 2.114 -22.326 28.031 1.00 4.22 ATOM 385 C LEU 24 4.329 -19.246 30.325 1.00 42.42 ATOM 386 O LEU 24 3.382 -19.498 31.068 1.00 12.51 ATOM 387 N GLY 25 5.530 -18.898 30.777 1.00 44.43 ATOM 388 HN GLY 25 6.267 -18.740 30.160 1.00 38.50 ATOM 389 CA GLY 25 5.786 -18.796 32.202 1.00 62.44 ATOM 390 HA1 GLY 25 4.909 -18.410 32.708 1.00 38.50 ATOM 391 HA2 GLY 25 6.602 -18.105 32.354 1.00 54.34 ATOM 392 C GLY 25 6.162 -20.129 32.819 1.00 15.23 ATOM 393 O GLY 25 5.769 -20.432 33.946 1.00 10.42 ATOM 394 N VAL 26 6.923 -20.929 32.080 1.00 51.15 ATOM 395 HN VAL 26 7.215 -20.630 31.194 1.00 38.50 ATOM 396 CA VAL 26 7.351 -22.237 32.561 1.00 51.21 ATOM 397 HA VAL 26 6.989 -22.388 33.573 1.00 55.12 ATOM 398 CB VAL 26 6.795 -23.370 31.678 1.00 53.52 ATOM 399 HB VAL 26 7.298 -24.296 31.930 1.00 74.25 ATOM 400 CG1 VAL 26 5.309 -23.569 31.938 1.00 64.31 ATOM 401 HG11 VAL 26 4.781 -22.652 31.723 1.00 33.42 ATOM 402 HG12 VAL 26 5.157 -23.837 32.974 1.00 11.52 ATOM 403 HG13 VAL 26 4.930 -24.360 31.307 1.00 51.24 ATOM 404 CG2 VAL 26 7.052 -23.074 30.208 1.00 51.31 ATOM 405 HG21 VAL 26 6.721 -23.916 29.616 1.00 44.21 ATOM 406 HG22 VAL 26 8.103 -22.919 30.033 1.00 74.35 ATOM 407 HG23 VAL 26 6.499 -22.198 29.908 1.00 35.11 ATOM 408 C VAL 26 8.872 -22.338 32.600 1.00 54.54 ATOM 409 O VAL 26 9.439 -22.997 33.471 1.00 22.24 ATOM 410 N LEU 27 9.527 -21.679 31.650 1.00 72.11 ATOM 411 HN LEU 27 9.041 -21.186 30.958 1.00 38.50 ATOM 412 CA LEU 27 10.984 -21.693 31.575 1.00 74.41 ATOM 413 HA LEU 27 11.376 -22.253 32.417 1.00 13.21 ATOM 414 CB LEU 27 11.441 -22.388 30.291 1.00 41.51 ATOM 415 HB1 LEU 27 10.857 -21.980 29.479 1.00 38.50 ATOM 416 HB2 LEU 27 11.214 -23.425 30.380 1.00 54.40 ATOM 417 CG LEU 27 12.920 -22.234 29.935 1.00 3.11 ATOM 418 HG LEU 27 13.192 -21.198 29.944 1.00 1.15 ATOM 419 CD1 LEU 27 13.791 -22.955 30.952 1.00 65.01 ATOM 420 HD11 LEU 27 13.578 -24.010 30.929 1.00 52.54 ATOM 421 HD12 LEU 27 13.591 -22.569 31.942 1.00 32.34 ATOM 422 HD13 LEU 27 14.833 -22.795 30.713 1.00 13.30 ATOM 423 CD2 LEU 27 13.189 -22.759 28.532 1.00 13.23 ATOM 424 HD21 LEU 27 14.233 -22.622 28.287 1.00 25.13 ATOM 425 HD22 LEU 27 12.583 -22.216 27.820 1.00 33.11 ATOM 426 HD23 LEU 27 12.944 -23.811 28.482 1.00 55.52 ATOM 427 C LEU 27 11.546 -20.276 31.628 1.00 35.34 ATOM 428 O LEU 27 11.141 -19.409 30.855 1.00 65.24 ATOM 429 N GLU 28 12.481 -20.050 32.546 1.00 71.23 ATOM 430 HN GLU 28 12.764 -20.786 33.141 1.00 38.50 ATOM 431 CA GLU 28 13.099 -18.738 32.698 1.00 31.42 ATOM 432 HA GLU 28 12.334 -18.042 33.012 1.00 32.21 ATOM 433 CB GLU 28 14.192 -18.786 33.767 1.00 24.44 ATOM 434 HB1 GLU 28 13.757 -19.140 34.690 1.00 38.50 ATOM 435 HB2 GLU 28 14.571 -17.784 33.921 1.00 34.25 ATOM 436 CG GLU 28 15.355 -19.697 33.409 1.00 35.21 ATOM 437 HG1 GLU 28 15.715 -19.458 32.419 1.00 38.50 ATOM 438 HG2 GLU 28 15.010 -20.719 33.424 1.00 25.24 ATOM 439 CD GLU 28 16.515 -19.570 34.377 1.00 61.33 ATOM 440 OE1 GLU 28 16.374 -20.019 35.534 1.00 71.34 ATOM 441 OE2 GLU 28 17.564 -19.022 33.978 1.00 73.31 ATOM 442 C GLU 28 13.687 -18.257 31.375 1.00 40.20 ATOM 443 O GLU 28 13.855 -19.037 30.438 1.00 41.13 ATOM 444 N SER 29 13.997 -16.966 31.307 1.00 62.12 ATOM 445 HN SER 29 13.856 -16.389 32.095 1.00 38.50 ATOM 446 CA SER 29 14.562 -16.379 30.098 1.00 43.42 ATOM 447 HA SER 29 14.346 -17.038 29.268 1.00 40.54 ATOM 448 CB SER 29 13.915 -15.022 29.814 1.00 10.31 ATOM 449 HB1 SER 29 13.404 -14.661 30.696 1.00 38.50 ATOM 450 HB2 SER 29 13.211 -15.128 29.012 1.00 23.01 ATOM 451 OG SER 29 14.886 -14.063 29.431 1.00 22.42 ATOM 452 HG SER 29 14.481 -13.193 29.396 1.00 21.32 ATOM 453 C SER 29 16.074 -16.217 30.228 1.00 53.52 ATOM 454 O SER 29 16.628 -16.184 31.327 1.00 40.54 ATOM 455 N PRO 30 16.758 -16.113 29.079 1.00 52.13 ATOM 456 CA PRO 30 18.214 -15.952 29.036 1.00 22.03 ATOM 457 HA PRO 30 18.715 -16.724 29.602 1.00 3.20 ATOM 458 CB PRO 30 18.545 -16.109 27.550 1.00 23.21 ATOM 459 HB1 PRO 30 18.788 -17.140 27.367 1.00 38.50 ATOM 460 HB2 PRO 30 19.378 -15.485 27.255 1.00 31.50 ATOM 461 CG PRO 30 17.295 -15.719 26.840 1.00 2.31 ATOM 462 HG1 PRO 30 17.225 -16.220 25.892 1.00 38.50 ATOM 463 HG2 PRO 30 17.275 -14.649 26.698 1.00 43.35 ATOM 464 CD PRO 30 16.162 -16.144 27.732 1.00 21.14 ATOM 465 HD1 PRO 30 15.843 -17.144 27.477 1.00 38.50 ATOM 466 HD2 PRO 30 15.346 -15.456 27.633 1.00 52.12 ATOM 467 C PRO 30 18.661 -14.584 29.540 1.00 43.13 ATOM 468 O PRO 30 17.864 -13.820 30.085 1.00 21.41 ATOM 469 N LYS 31 19.941 -14.279 29.353 1.00 20.12 ATOM 470 HN LYS 31 20.548 -14.943 28.952 1.00 38.50 ATOM 471 CA LYS 31 20.495 -13.002 29.787 1.00 50.14 ATOM 472 HA LYS 31 19.754 -12.468 30.373 1.00 22.23 ATOM 473 CB LYS 31 21.735 -13.229 30.654 1.00 2.51 ATOM 474 HB1 LYS 31 22.323 -12.318 30.678 1.00 38.50 ATOM 475 HB2 LYS 31 22.339 -14.010 30.211 1.00 62.50 ATOM 476 CG LYS 31 21.413 -13.596 32.092 1.00 13.42 ATOM 477 HG1 LYS 31 20.459 -13.164 32.370 1.00 38.50 ATOM 478 HG2 LYS 31 22.180 -13.184 32.733 1.00 52.42 ATOM 479 CD LYS 31 21.339 -15.102 32.280 1.00 10.43 ATOM 480 HD1 LYS 31 20.956 -15.570 31.381 1.00 38.50 ATOM 481 HD2 LYS 31 20.670 -15.313 33.101 1.00 54.34 ATOM 482 CE LYS 31 22.704 -15.691 32.602 1.00 12.54 ATOM 483 HE1 LYS 31 23.452 -15.250 31.955 1.00 38.50 ATOM 484 HE2 LYS 31 22.667 -16.756 32.425 1.00 31.23 ATOM 485 NZ LYS 31 23.088 -15.457 34.022 1.00 13.21 ATOM 486 HZ1 LYS 31 23.148 -14.437 34.220 1.00 22.32 ATOM 487 HZ2 LYS 31 24.015 -15.886 34.213 1.00 22.20 ATOM 488 HZ3 LYS 31 22.386 -15.884 34.662 1.00 44.41 ATOM 489 C LYS 31 20.853 -12.129 28.588 1.00 73.11 ATOM 490 O LYS 31 20.896 -10.903 28.690 1.00 11.02 ATOM 491 N LYS 32 21.107 -12.769 27.451 1.00 2.53 ATOM 492 HN LYS 32 21.100 -13.749 27.421 1.00 38.50 ATOM 493 CA LYS 32 21.458 -12.051 26.231 1.00 24.24 ATOM 494 HA LYS 32 20.999 -11.073 26.254 1.00 41.35 ATOM 495 CB LYS 32 22.977 -11.889 26.130 1.00 72.44 ATOM 496 HB1 LYS 32 23.229 -11.346 25.231 1.00 38.50 ATOM 497 HB2 LYS 32 23.429 -12.870 26.081 1.00 11.22 ATOM 498 CG LYS 32 23.591 -11.154 27.309 1.00 75.44 ATOM 499 HG1 LYS 32 24.666 -11.190 27.205 1.00 38.50 ATOM 500 HG2 LYS 32 23.315 -11.643 28.227 1.00 70.43 ATOM 501 CD LYS 32 23.162 -9.697 27.342 1.00 74.12 ATOM 502 HD1 LYS 32 22.103 -9.606 27.174 1.00 38.50 ATOM 503 HD2 LYS 32 23.689 -9.168 26.563 1.00 72.45 ATOM 504 CE LYS 32 23.499 -9.047 28.675 1.00 35.10 ATOM 505 HE1 LYS 32 23.099 -9.651 29.479 1.00 38.50 ATOM 506 HE2 LYS 32 23.043 -8.069 28.705 1.00 53.01 ATOM 507 NZ LYS 32 24.968 -8.896 28.863 1.00 61.22 ATOM 508 HZ1 LYS 32 25.375 -8.322 28.095 1.00 71.41 ATOM 509 HZ2 LYS 32 25.432 -9.828 28.869 1.00 63.43 ATOM 510 HZ3 LYS 32 25.162 -8.424 29.769 1.00 40.13 ATOM 511 C LYS 32 20.931 -12.781 25.000 1.00 13.21 ATOM 512 O LYS 32 20.192 -13.760 25.114 1.00 2.32 ATOM 513 N THR 33 21.315 -12.299 23.822 1.00 21.02 ATOM 514 HN THR 33 21.869 -11.488 23.782 1.00 38.50 ATOM 515 CA THR 33 20.881 -12.905 22.570 1.00 61.30 ATOM 516 HA THR 33 19.803 -12.797 22.513 1.00 52.53 ATOM 517 CB THR 33 21.502 -12.190 21.355 1.00 74.32 ATOM 518 HB THR 33 22.569 -12.378 21.343 1.00 1.10 ATOM 519 OG1 THR 33 21.282 -10.779 21.452 1.00 11.33 ATOM 520 HG1 THR 33 22.030 -10.362 21.888 1.00 64.03 ATOM 521 CG2 THR 33 20.905 -12.713 20.057 1.00 61.03 ATOM 522 HG21 THR 33 19.825 -12.660 20.101 1.00 64.01 ATOM 523 HG22 THR 33 21.210 -13.736 19.899 1.00 53.24 ATOM 524 HG23 THR 33 21.257 -12.107 19.235 1.00 52.42 ATOM 525 C THR 33 21.250 -14.384 22.518 1.00 14.41 ATOM 526 O THR 33 22.399 -14.755 22.756 1.00 3.20 ATOM 527 N ILE 34 20.268 -15.223 22.205 1.00 10.42 ATOM 528 HN ILE 34 19.367 -14.867 22.014 1.00 38.50 ATOM 529 CA ILE 34 20.491 -16.661 22.120 1.00 12.45 ATOM 530 HA ILE 34 21.106 -16.963 22.962 1.00 11.42 ATOM 531 CB ILE 34 19.164 -17.440 22.185 1.00 63.51 ATOM 532 HB ILE 34 18.549 -17.140 21.348 1.00 1.04 ATOM 533 CG1 ILE 34 18.423 -17.122 23.485 1.00 53.23 ATOM 534 HG11 ILE 34 17.499 -17.684 23.517 1.00 38.50 ATOM 535 HG12 ILE 34 18.193 -16.067 23.514 1.00 43.54 ATOM 536 CG2 ILE 34 19.423 -18.935 22.069 1.00 74.31 ATOM 537 HG21 ILE 34 20.254 -19.226 22.697 1.00 23.15 ATOM 538 HG22 ILE 34 19.647 -19.170 21.048 1.00 74.40 ATOM 539 HG23 ILE 34 18.540 -19.484 22.369 1.00 34.40 ATOM 540 CD1 ILE 34 19.214 -17.456 24.730 1.00 45.34 ATOM 541 HD11 ILE 34 19.630 -16.549 25.136 1.00 41.23 ATOM 542 HD12 ILE 34 20.018 -18.144 24.513 1.00 5.23 ATOM 543 HD13 ILE 34 18.555 -17.904 25.453 1.00 22.34 ATOM 544 C ILE 34 21.222 -17.029 20.834 1.00 50.30 ATOM 545 O ILE 34 20.597 -17.325 19.816 1.00 61.33 ATOM 546 N SER 35 22.550 -17.009 20.888 1.00 31.12 ATOM 547 HN SER 35 22.995 -16.773 21.738 1.00 38.50 ATOM 548 CA SER 35 23.367 -17.339 19.727 1.00 63.05 ATOM 549 HA SER 35 23.001 -16.771 18.880 1.00 74.50 ATOM 550 CB SER 35 24.827 -16.956 19.978 1.00 11.21 ATOM 551 HB1 SER 35 24.870 -15.999 20.480 1.00 38.50 ATOM 552 HB2 SER 35 25.344 -16.888 19.032 1.00 11.01 ATOM 553 OG SER 35 25.478 -17.925 20.781 1.00 35.15 ATOM 554 HG SER 35 25.256 -17.781 21.705 1.00 31.33 ATOM 555 C SER 35 23.269 -18.826 19.398 1.00 44.31 ATOM 556 O SER 35 23.481 -19.236 18.256 1.00 14.44 ATOM 557 N ASP 36 22.948 -19.628 20.407 1.00 52.04 ATOM 558 HN ASP 36 22.787 -19.255 21.302 1.00 38.50 ATOM 559 CA ASP 36 22.820 -21.069 20.226 1.00 24.54 ATOM 560 HA ASP 36 22.872 -21.308 19.173 1.00 64.42 ATOM 561 CB ASP 36 23.974 -21.796 20.921 1.00 54.43 ATOM 562 HB1 ASP 36 24.826 -21.803 20.257 1.00 38.50 ATOM 563 HB2 ASP 36 23.698 -22.819 21.142 1.00 12.14 ATOM 564 CG ASP 36 24.390 -21.119 22.212 1.00 42.02 ATOM 565 OD1 ASP 36 23.736 -21.363 23.248 1.00 44.22 ATOM 566 OD2 ASP 36 25.371 -20.346 22.187 1.00 74.24 ATOM 567 C ASP 36 21.486 -21.569 20.772 1.00 63.53 ATOM 568 O ASP 36 21.415 -22.192 21.831 1.00 20.43 ATOM 569 N PRO 37 20.403 -21.290 20.032 1.00 35.43 ATOM 570 CA PRO 37 19.051 -21.702 20.422 1.00 33.13 ATOM 571 HA PRO 37 18.806 -21.391 21.421 1.00 34.02 ATOM 572 CB PRO 37 18.155 -20.976 19.416 1.00 54.10 ATOM 573 HB1 PRO 37 17.835 -20.036 19.839 1.00 38.50 ATOM 574 HB2 PRO 37 17.286 -21.574 19.170 1.00 23.11 ATOM 575 CG PRO 37 19.022 -20.757 18.225 1.00 4.31 ATOM 576 HG1 PRO 37 18.694 -19.876 17.693 1.00 38.50 ATOM 577 HG2 PRO 37 18.986 -21.618 17.576 1.00 11.21 ATOM 578 CD PRO 37 20.413 -20.552 18.758 1.00 4.25 ATOM 579 HD1 PRO 37 20.607 -19.507 18.916 1.00 38.50 ATOM 580 HD2 PRO 37 21.132 -20.969 18.071 1.00 60.13 ATOM 581 C PRO 37 18.852 -23.211 20.321 1.00 43.42 ATOM 582 O PRO 37 18.261 -23.828 21.206 1.00 60.35 ATOM 583 N GLU 38 19.351 -23.797 19.237 1.00 53.13 ATOM 584 HN GLU 38 19.835 -23.262 18.572 1.00 38.50 ATOM 585 CA GLU 38 19.227 -25.234 19.021 1.00 51.31 ATOM 586 HA GLU 38 18.181 -25.455 18.878 1.00 72.43 ATOM 587 CB GLU 38 20.010 -25.654 17.776 1.00 64.23 ATOM 588 HB1 GLU 38 20.151 -26.728 17.801 1.00 38.50 ATOM 589 HB2 GLU 38 20.980 -25.176 17.798 1.00 21.31 ATOM 590 CG GLU 38 19.327 -25.280 16.471 1.00 2.53 ATOM 591 HG1 GLU 38 19.617 -24.274 16.206 1.00 38.50 ATOM 592 HG2 GLU 38 18.253 -25.321 16.600 1.00 11.44 ATOM 593 CD GLU 38 19.700 -26.206 15.330 1.00 2.13 ATOM 594 OE1 GLU 38 19.843 -27.422 15.575 1.00 4.10 ATOM 595 OE2 GLU 38 19.849 -25.714 14.192 1.00 54.11 ATOM 596 C GLU 38 19.725 -26.011 20.236 1.00 64.24 ATOM 597 O GLU 38 19.156 -27.037 20.607 1.00 52.44 ATOM 598 N GLY 39 20.795 -25.515 20.851 1.00 54.11 ATOM 599 HN GLY 39 21.232 -24.702 20.513 1.00 38.50 ATOM 600 CA GLY 39 21.353 -26.175 22.016 1.00 20.14 ATOM 601 HA1 GLY 39 22.407 -25.946 22.066 1.00 38.50 ATOM 602 HA2 GLY 39 21.239 -27.249 21.925 1.00 32.25 ATOM 603 C GLY 39 20.702 -25.720 23.308 1.00 62.53 ATOM 604 O GLY 39 20.450 -26.528 24.202 1.00 3.13 ATOM 605 N PHE 40 20.430 -24.423 23.407 1.00 64.43 ATOM 606 HN PHE 40 20.666 -23.819 22.664 1.00 38.50 ATOM 607 CA PHE 40 19.807 -23.862 24.600 1.00 43.24 ATOM 608 HA PHE 40 20.482 -24.010 25.431 1.00 30.03 ATOM 609 CB PHE 40 19.568 -22.362 24.418 1.00 51.45 ATOM 610 HB1 PHE 40 19.031 -22.205 23.491 1.00 38.50 ATOM 611 HB2 PHE 40 20.526 -21.862 24.353 1.00 3.32 ATOM 612 CG PHE 40 18.784 -21.739 25.538 1.00 64.33 ATOM 613 CD1 PHE 40 19.417 -21.335 26.702 1.00 3.30 ATOM 614 HD1 PHE 40 20.486 -21.468 26.804 1.00 23.11 ATOM 615 CD2 PHE 40 17.415 -21.559 25.426 1.00 2.53 ATOM 616 HD2 PHE 40 16.907 -21.870 24.523 1.00 2.42 ATOM 617 CE1 PHE 40 18.698 -20.763 27.735 1.00 44.44 ATOM 618 HE1 PHE 40 19.203 -20.453 28.638 1.00 44.23 ATOM 619 CE2 PHE 40 16.691 -20.987 26.455 1.00 2.54 ATOM 620 HE2 PHE 40 15.632 -20.867 26.372 1.00 55.11 ATOM 621 CZ PHE 40 17.334 -20.587 27.611 1.00 70.13 ATOM 622 HZ PHE 40 16.770 -20.140 28.417 1.00 2.31 ATOM 623 C PHE 40 18.489 -24.565 24.907 1.00 75.22 ATOM 624 O PHE 40 18.042 -24.598 26.054 1.00 14.11 ATOM 625 N LEU 41 17.870 -25.126 23.874 1.00 71.42 ATOM 626 HN LEU 41 18.237 -25.035 22.968 1.00 38.50 ATOM 627 CA LEU 41 16.601 -25.829 24.032 1.00 64.54 ATOM 628 HA LEU 41 16.042 -25.347 24.812 1.00 73.10 ATOM 629 CB LEU 41 15.798 -25.770 22.731 1.00 33.14 ATOM 630 HB1 LEU 41 15.102 -26.603 22.702 1.00 38.50 ATOM 631 HB2 LEU 41 16.498 -25.889 21.916 1.00 65.44 ATOM 632 CG LEU 41 15.006 -24.484 22.490 1.00 71.51 ATOM 633 HG LEU 41 15.671 -23.645 22.593 1.00 62.12 ATOM 634 CD1 LEU 41 14.438 -24.464 21.079 1.00 24.21 ATOM 635 HD11 LEU 41 14.050 -23.489 20.879 1.00 51.15 ATOM 636 HD12 LEU 41 13.646 -25.195 20.987 1.00 71.25 ATOM 637 HD13 LEU 41 15.218 -24.692 20.368 1.00 13.31 ATOM 638 CD2 LEU 41 13.892 -24.343 23.517 1.00 71.41 ATOM 639 HD21 LEU 41 14.313 -24.273 24.507 1.00 73.44 ATOM 640 HD22 LEU 41 13.237 -25.201 23.466 1.00 44.04 ATOM 641 HD23 LEU 41 13.322 -23.446 23.312 1.00 32.20 ATOM 642 C LEU 41 16.831 -27.282 24.435 1.00 34.42 ATOM 643 O LEU 41 16.175 -27.795 25.342 1.00 2.21 ATOM 644 N GLN 42 17.766 -27.939 23.757 1.00 61.11 ATOM 645 HN GLN 42 18.251 -27.479 23.031 1.00 38.50 ATOM 646 CA GLN 42 18.082 -29.333 24.046 1.00 4.35 ATOM 647 HA GLN 42 17.219 -29.931 23.789 1.00 53.52 ATOM 648 CB GLN 42 19.273 -29.793 23.204 1.00 60.23 ATOM 649 HB1 GLN 42 20.134 -29.180 23.441 1.00 38.50 ATOM 650 HB2 GLN 42 19.025 -29.651 22.161 1.00 34.13 ATOM 651 CG GLN 42 19.630 -31.257 23.404 1.00 25.13 ATOM 652 HG1 GLN 42 20.060 -31.627 22.484 1.00 38.50 ATOM 653 HG2 GLN 42 18.735 -31.818 23.620 1.00 50.35 ATOM 654 CD GLN 42 20.641 -31.464 24.516 1.00 75.23 ATOM 655 OE1 GLN 42 21.707 -30.850 24.523 1.00 5.51 ATOM 656 NE2 GLN 42 20.309 -32.334 25.463 1.00 12.50 ATOM 657 HE21 GLN 42 19.444 -32.798 25.408 1.00 25.43 ATOM 658 HE22 GLN 42 20.950 -32.481 26.190 1.00 61.43 ATOM 659 C GLN 42 18.389 -29.525 25.528 1.00 15.11 ATOM 660 O GLN 42 17.804 -30.385 26.186 1.00 22.20 ATOM 661 N ALA 43 19.308 -28.718 26.047 1.00 65.13 ATOM 662 HN ALA 43 19.739 -28.044 25.468 1.00 38.50 ATOM 663 CA ALA 43 19.691 -28.798 27.451 1.00 71.50 ATOM 664 HA ALA 43 20.006 -29.811 27.659 1.00 1.52 ATOM 665 CB ALA 43 20.871 -27.880 27.730 1.00 43.11 ATOM 666 HB1 ALA 43 21.691 -28.144 27.078 1.00 74.13 ATOM 667 HB2 ALA 43 21.183 -27.990 28.759 1.00 72.35 ATOM 668 HB3 ALA 43 20.585 -26.853 27.548 1.00 42.11 ATOM 669 C ALA 43 18.518 -28.447 28.360 1.00 22.03 ATOM 670 O ALA 43 18.263 -29.130 29.352 1.00 20.00 ATOM 671 N SER 44 17.808 -27.377 28.016 1.00 24.21 ATOM 672 HN SER 44 18.062 -26.864 27.212 1.00 38.50 ATOM 673 CA SER 44 16.665 -26.933 28.804 1.00 1.54 ATOM 674 HA SER 44 17.002 -26.753 29.816 1.00 65.13 ATOM 675 CB SER 44 16.102 -25.629 28.235 1.00 5.43 ATOM 676 HB1 SER 44 16.900 -24.916 28.114 1.00 38.50 ATOM 677 HB2 SER 44 15.368 -25.231 28.921 1.00 1.03 ATOM 678 OG SER 44 15.478 -25.847 26.982 1.00 13.22 ATOM 679 HG SER 44 14.966 -25.072 26.740 1.00 24.23 ATOM 680 C SER 44 15.576 -28.000 28.832 1.00 72.40 ATOM 681 O SER 44 14.770 -28.058 29.762 1.00 73.04 ATOM 682 N LEU 45 15.558 -28.845 27.806 1.00 11.45 ATOM 683 HN LEU 45 16.202 -28.746 27.070 1.00 38.50 ATOM 684 CA LEU 45 14.568 -29.912 27.711 1.00 1.03 ATOM 685 HA LEU 45 13.697 -29.640 28.296 1.00 1.40 ATOM 686 CB LEU 45 14.129 -30.099 26.258 1.00 62.31 ATOM 687 HB1 LEU 45 13.431 -30.926 26.214 1.00 38.50 ATOM 688 HB2 LEU 45 15.008 -30.372 25.689 1.00 64.41 ATOM 689 CG LEU 45 13.479 -28.886 25.591 1.00 22.25 ATOM 690 HG LEU 45 13.936 -27.980 25.959 1.00 71.22 ATOM 691 CD1 LEU 45 13.681 -28.933 24.085 1.00 43.21 ATOM 692 HD11 LEU 45 14.732 -29.034 23.856 1.00 60.22 ATOM 693 HD12 LEU 45 13.310 -28.020 23.644 1.00 31.23 ATOM 694 HD13 LEU 45 13.144 -29.776 23.671 1.00 33.11 ATOM 695 CD2 LEU 45 11.997 -28.822 25.931 1.00 42.41 ATOM 696 HD21 LEU 45 11.499 -29.697 25.544 1.00 44.21 ATOM 697 HD22 LEU 45 11.562 -27.936 25.489 1.00 50.12 ATOM 698 HD23 LEU 45 11.871 -28.782 27.004 1.00 4.12 ATOM 699 C LEU 45 15.125 -31.222 28.259 1.00 45.10 ATOM 700 O LEU 45 14.376 -32.154 28.551 1.00 64.41 ATOM 701 N LYS 46 16.445 -31.285 28.398 1.00 24.01 ATOM 702 HN LYS 46 16.998 -30.536 28.112 1.00 38.50 ATOM 703 CA LYS 46 17.105 -32.479 28.914 1.00 14.32 ATOM 704 HA LYS 46 16.974 -33.266 28.183 1.00 72.20 ATOM 705 CB LYS 46 18.598 -32.214 29.117 1.00 63.21 ATOM 706 HB1 LYS 46 18.768 -31.791 30.100 1.00 38.50 ATOM 707 HB2 LYS 46 18.926 -31.501 28.375 1.00 61.13 ATOM 708 CG LYS 46 19.462 -33.455 28.967 1.00 54.22 ATOM 709 HG1 LYS 46 19.402 -33.804 27.946 1.00 38.50 ATOM 710 HG2 LYS 46 19.076 -34.208 29.630 1.00 63.14 ATOM 711 CD LYS 46 20.914 -33.169 29.312 1.00 55.13 ATOM 712 HD1 LYS 46 20.989 -32.248 29.879 1.00 38.50 ATOM 713 HD2 LYS 46 21.475 -33.071 28.395 1.00 35.41 ATOM 714 CE LYS 46 21.523 -34.293 30.135 1.00 72.52 ATOM 715 HE1 LYS 46 21.347 -35.227 29.624 1.00 38.50 ATOM 716 HE2 LYS 46 21.056 -34.316 31.107 1.00 52.05 ATOM 717 NZ LYS 46 22.993 -34.125 30.301 1.00 21.40 ATOM 718 HZ1 LYS 46 23.203 -33.228 30.787 1.00 72.34 ATOM 719 HZ2 LYS 46 23.465 -34.123 29.373 1.00 43.45 ATOM 720 HZ3 LYS 46 23.377 -34.909 30.867 1.00 63.32 ATOM 721 C LYS 46 16.473 -32.923 30.230 1.00 62.34 ATOM 722 O LYS 46 15.991 -34.050 30.348 1.00 55.41 ATOM 723 N ASP 47 16.479 -32.032 31.214 1.00 0.33 ATOM 724 HN ASP 47 16.863 -31.143 31.038 1.00 38.50 ATOM 725 CA ASP 47 15.904 -32.332 32.521 1.00 43.53 ATOM 726 HA ASP 47 16.517 -33.076 32.991 1.00 31.24 ATOM 727 CB ASP 47 15.902 -31.080 33.400 1.00 24.21 ATOM 728 HB1 ASP 47 15.721 -31.369 34.425 1.00 38.50 ATOM 729 HB2 ASP 47 15.117 -30.408 33.075 1.00 24.43 ATOM 730 CG ASP 47 17.218 -30.329 33.340 1.00 13.45 ATOM 731 OD1 ASP 47 18.278 -30.988 33.334 1.00 45.03 ATOM 732 OD2 ASP 47 17.186 -29.081 33.300 1.00 63.13 ATOM 733 C ASP 47 14.484 -32.871 32.379 1.00 44.12 ATOM 734 O ASP 47 14.114 -33.851 33.024 1.00 3.43 ATOM 735 N GLY 48 13.692 -32.223 31.530 1.00 45.14 ATOM 736 HN GLY 48 14.026 -31.438 31.041 1.00 38.50 ATOM 737 CA GLY 48 12.322 -32.651 31.319 1.00 31.15 ATOM 738 HA1 GLY 48 12.242 -33.720 31.428 1.00 38.50 ATOM 739 HA2 GLY 48 12.050 -32.390 30.313 1.00 45.32 ATOM 740 C GLY 48 11.350 -31.968 32.261 1.00 2.10 ATOM 741 O GLY 48 10.141 -31.975 32.030 1.00 61.03 ATOM 742 N VAL 49 11.879 -31.377 33.328 1.00 52.42 ATOM 743 HN VAL 49 12.842 -31.349 33.436 1.00 38.50 ATOM 744 CA VAL 49 11.050 -30.686 34.309 1.00 72.24 ATOM 745 HA VAL 49 10.358 -31.407 34.728 1.00 61.43 ATOM 746 CB VAL 49 11.901 -30.107 35.455 1.00 74.25 ATOM 747 HB VAL 49 12.520 -29.311 35.061 1.00 32.10 ATOM 748 CG1 VAL 49 11.009 -29.522 36.539 1.00 52.11 ATOM 749 HG11 VAL 49 10.288 -30.261 36.861 1.00 25.22 ATOM 750 HG12 VAL 49 10.492 -28.664 36.151 1.00 51.33 ATOM 751 HG13 VAL 49 11.611 -29.217 37.385 1.00 65.31 ATOM 752 CG2 VAL 49 12.820 -31.176 36.028 1.00 54.55 ATOM 753 HG21 VAL 49 13.580 -31.429 35.307 1.00 4.55 ATOM 754 HG22 VAL 49 12.247 -32.057 36.265 1.00 63.35 ATOM 755 HG23 VAL 49 13.297 -30.807 36.927 1.00 22.31 ATOM 756 C VAL 49 10.255 -29.558 33.660 1.00 64.10 ATOM 757 O VAL 49 9.149 -29.235 34.093 1.00 42.34 ATOM 758 N VAL 50 10.827 -28.962 32.618 1.00 21.04 ATOM 759 HN VAL 50 11.721 -29.246 32.319 1.00 38.50 ATOM 760 CA VAL 50 10.172 -27.870 31.908 1.00 71.31 ATOM 761 HA VAL 50 9.693 -27.222 32.636 1.00 14.30 ATOM 762 CB VAL 50 11.188 -27.029 31.113 1.00 54.41 ATOM 763 HB VAL 50 11.686 -27.673 30.401 1.00 74.31 ATOM 764 CG1 VAL 50 10.480 -25.925 30.342 1.00 75.24 ATOM 765 HG11 VAL 50 11.218 -25.332 29.823 1.00 53.42 ATOM 766 HG12 VAL 50 9.927 -25.295 31.023 1.00 44.52 ATOM 767 HG13 VAL 50 9.807 -26.347 29.613 1.00 64.20 ATOM 768 CG2 VAL 50 12.242 -26.448 32.043 1.00 12.13 ATOM 769 HG21 VAL 50 11.778 -25.765 32.741 1.00 10.43 ATOM 770 HG22 VAL 50 12.981 -25.922 31.462 1.00 24.52 ATOM 771 HG23 VAL 50 12.728 -27.244 32.590 1.00 73.11 ATOM 772 C VAL 50 9.107 -28.397 30.953 1.00 72.22 ATOM 773 O VAL 50 8.120 -27.717 30.670 1.00 53.13 ATOM 774 N LEU 51 9.312 -29.613 30.459 1.00 65.11 ATOM 775 HN LEU 51 10.129 -30.104 30.696 1.00 38.50 ATOM 776 CA LEU 51 8.369 -30.233 29.535 1.00 62.21 ATOM 777 HA LEU 51 8.229 -29.563 28.697 1.00 52.21 ATOM 778 CB LEU 51 8.924 -31.565 29.026 1.00 41.54 ATOM 779 HB1 LEU 51 8.107 -32.172 28.701 1.00 38.50 ATOM 780 HB2 LEU 51 9.396 -32.068 29.852 1.00 14.13 ATOM 781 CG LEU 51 9.926 -31.477 27.874 1.00 24.41 ATOM 782 HG LEU 51 10.647 -30.699 28.087 1.00 71.23 ATOM 783 CD1 LEU 51 10.685 -32.787 27.727 1.00 65.01 ATOM 784 HD11 LEU 51 11.436 -32.684 26.955 1.00 33.53 ATOM 785 HD12 LEU 51 9.998 -33.577 27.455 1.00 42.30 ATOM 786 HD13 LEU 51 11.164 -33.041 28.656 1.00 63.31 ATOM 787 CD2 LEU 51 9.217 -31.121 26.576 1.00 64.03 ATOM 788 HD21 LEU 51 9.928 -31.107 25.763 1.00 72.43 ATOM 789 HD22 LEU 51 8.763 -30.146 26.667 1.00 74.23 ATOM 790 HD23 LEU 51 8.455 -31.851 26.368 1.00 62.01 ATOM 791 C LEU 51 7.017 -30.456 30.205 1.00 41.32 ATOM 792 O LEU 51 5.988 -29.985 29.719 1.00 34.32 ATOM 793 N CYS 52 7.028 -31.173 31.323 1.00 73.24 ATOM 794 HN CYS 52 7.887 -31.526 31.660 1.00 38.50 ATOM 795 CA CYS 52 5.802 -31.457 32.061 1.00 51.03 ATOM 796 HA CYS 52 5.175 -32.077 31.434 1.00 22.11 ATOM 797 CB CYS 52 6.124 -32.196 33.361 1.00 41.54 ATOM 798 HB1 CYS 52 5.416 -31.914 34.132 1.00 38.50 ATOM 799 HB2 CYS 52 7.119 -31.932 33.691 1.00 11.12 ATOM 800 SG CYS 52 6.060 -33.997 33.221 1.00 21.23 ATOM 801 HG CYS 52 6.427 -34.325 31.991 1.00 13.31 ATOM 802 C CYS 52 5.042 -30.171 32.367 1.00 12.23 ATOM 803 O CYS 52 3.841 -30.072 32.114 1.00 61.20 ATOM 804 N ARG 53 5.749 -29.188 32.915 1.00 31.04 ATOM 805 HN ARG 53 6.709 -29.328 33.099 1.00 38.50 ATOM 806 CA ARG 53 5.140 -27.909 33.260 1.00 42.24 ATOM 807 HA ARG 53 4.428 -28.082 34.056 1.00 5.44 ATOM 808 CB ARG 53 6.207 -26.927 33.746 1.00 3.43 ATOM 809 HB1 ARG 53 5.762 -25.946 33.862 1.00 38.50 ATOM 810 HB2 ARG 53 6.987 -26.872 33.000 1.00 44.53 ATOM 811 CG ARG 53 6.835 -27.318 35.074 1.00 63.21 ATOM 812 HG1 ARG 53 7.219 -28.320 35.003 1.00 38.50 ATOM 813 HG2 ARG 53 6.076 -27.283 35.839 1.00 42.15 ATOM 814 CD ARG 53 7.965 -26.375 35.455 1.00 2.35 ATOM 815 HD1 ARG 53 7.604 -25.354 35.438 1.00 38.50 ATOM 816 HD2 ARG 53 8.757 -26.482 34.727 1.00 14.43 ATOM 817 NE ARG 53 8.507 -26.676 36.778 1.00 62.34 ATOM 818 HE ARG 53 9.381 -27.110 36.818 1.00 1.32 ATOM 819 CZ ARG 53 7.882 -26.383 37.912 1.00 20.35 ATOM 820 NH1 ARG 53 6.699 -25.785 37.886 1.00 3.32 ATOM 821 HH11 ARG 53 6.253 -25.537 37.032 1.00 3.53 ATOM 822 HH12 ARG 53 6.236 -25.575 38.750 1.00 21.22 ATOM 823 NH2 ARG 53 8.440 -26.690 39.077 1.00 52.32 ATOM 824 HH21 ARG 53 9.333 -27.143 39.104 1.00 61.34 ATOM 825 HH22 ARG 53 7.970 -26.470 39.935 1.00 13.32 ATOM 826 C ARG 53 4.399 -27.320 32.063 1.00 45.34 ATOM 827 O ARG 53 3.287 -26.808 32.198 1.00 71.44 ATOM 828 N LEU 54 5.023 -27.394 30.892 1.00 25.23 ATOM 829 HN LEU 54 5.919 -27.806 30.844 1.00 38.50 ATOM 830 CA LEU 54 4.424 -26.868 29.671 1.00 61.12 ATOM 831 HA LEU 54 4.211 -25.819 29.824 1.00 2.44 ATOM 832 CB LEU 54 5.400 -27.006 28.500 1.00 14.55 ATOM 833 HB1 LEU 54 5.862 -27.977 28.560 1.00 38.50 ATOM 834 HB2 LEU 54 6.173 -26.259 28.622 1.00 43.15 ATOM 835 CG LEU 54 4.797 -26.853 27.103 1.00 23.23 ATOM 836 HG LEU 54 4.020 -27.584 26.964 1.00 41.42 ATOM 837 CD1 LEU 54 4.182 -25.473 26.935 1.00 43.43 ATOM 838 HD11 LEU 54 4.950 -24.741 27.088 1.00 4.42 ATOM 839 HD12 LEU 54 3.395 -25.325 27.657 1.00 63.50 ATOM 840 HD13 LEU 54 3.777 -25.369 25.938 1.00 15.14 ATOM 841 CD2 LEU 54 5.854 -27.102 26.037 1.00 60.21 ATOM 842 HD21 LEU 54 5.424 -26.993 25.069 1.00 61.14 ATOM 843 HD22 LEU 54 6.241 -28.105 26.140 1.00 64.31 ATOM 844 HD23 LEU 54 6.655 -26.401 26.153 1.00 63.12 ATOM 845 C LEU 54 3.120 -27.591 29.349 1.00 64.44 ATOM 846 O LEU 54 2.159 -26.981 28.878 1.00 65.43 ATOM 847 N LEU 55 3.093 -28.894 29.607 1.00 23.11 ATOM 848 HN LEU 55 3.894 -29.335 29.976 1.00 38.50 ATOM 849 CA LEU 55 1.906 -29.701 29.347 1.00 62.21 ATOM 850 HA LEU 55 1.553 -29.477 28.348 1.00 71.32 ATOM 851 CB LEU 55 2.251 -31.190 29.421 1.00 42.30 ATOM 852 HB1 LEU 55 2.793 -31.357 30.341 1.00 38.50 ATOM 853 HB2 LEU 55 2.910 -31.422 28.595 1.00 52.02 ATOM 854 CG LEU 55 1.067 -32.156 29.383 1.00 14.21 ATOM 855 HG LEU 55 0.379 -31.921 30.181 1.00 44.12 ATOM 856 CD1 LEU 55 0.317 -32.030 28.066 1.00 13.41 ATOM 857 HD11 LEU 55 -0.558 -32.665 28.089 1.00 43.25 ATOM 858 HD12 LEU 55 0.950 -32.335 27.267 1.00 21.11 ATOM 859 HD13 LEU 55 0.006 -31.007 27.910 1.00 5.23 ATOM 860 CD2 LEU 55 1.539 -33.587 29.595 1.00 14.11 ATOM 861 HD21 LEU 55 2.519 -33.596 30.035 1.00 71.33 ATOM 862 HD22 LEU 55 1.585 -34.109 28.648 1.00 51.31 ATOM 863 HD23 LEU 55 0.847 -34.095 30.246 1.00 72.33 ATOM 864 C LEU 55 0.797 -29.375 30.342 1.00 51.54 ATOM 865 O LEU 55 -0.385 -29.552 30.048 1.00 64.32 ATOM 866 N GLU 56 1.187 -28.894 31.518 1.00 33.13 ATOM 867 HN GLU 56 2.143 -28.784 31.708 1.00 38.50 ATOM 868 CA GLU 56 0.224 -28.541 32.555 1.00 21.33 ATOM 869 HA GLU 56 -0.567 -29.285 32.555 1.00 33.21 ATOM 870 CB GLU 56 0.902 -28.526 33.927 1.00 14.01 ATOM 871 HB1 GLU 56 0.453 -27.749 34.538 1.00 38.50 ATOM 872 HB2 GLU 56 1.953 -28.301 33.806 1.00 13.33 ATOM 873 CG GLU 56 0.786 -29.842 34.678 1.00 61.03 ATOM 874 HG1 GLU 56 1.547 -30.516 34.314 1.00 38.50 ATOM 875 HG2 GLU 56 -0.191 -30.273 34.499 1.00 54.34 ATOM 876 CD GLU 56 0.961 -29.677 36.175 1.00 62.11 ATOM 877 OE1 GLU 56 0.006 -29.220 36.836 1.00 14.05 ATOM 878 OE2 GLU 56 2.053 -30.004 36.685 1.00 70.42 ATOM 879 C GLU 56 -0.407 -27.181 32.272 1.00 5.11 ATOM 880 O GLU 56 -1.558 -26.932 32.630 1.00 22.00 ATOM 881 N ARG 57 0.357 -26.304 31.628 1.00 74.13 ATOM 882 HN ARG 57 1.279 -26.548 31.378 1.00 38.50 ATOM 883 CA ARG 57 -0.126 -24.968 31.298 1.00 61.52 ATOM 884 HA ARG 57 -0.455 -24.499 32.213 1.00 74.31 ATOM 885 CB ARG 57 0.995 -24.140 30.667 1.00 54.31 ATOM 886 HB1 ARG 57 0.569 -23.328 30.087 1.00 38.50 ATOM 887 HB2 ARG 57 1.565 -24.774 30.002 1.00 50.31 ATOM 888 CG ARG 57 1.956 -23.542 31.682 1.00 74.33 ATOM 889 HG1 ARG 57 2.801 -23.149 31.147 1.00 38.50 ATOM 890 HG2 ARG 57 2.284 -24.310 32.367 1.00 34.15 ATOM 891 CD ARG 57 1.306 -22.414 32.468 1.00 74.43 ATOM 892 HD1 ARG 57 1.888 -22.247 33.363 1.00 38.50 ATOM 893 HD2 ARG 57 0.306 -22.704 32.751 1.00 24.43 ATOM 894 NE ARG 57 1.261 -21.170 31.704 1.00 22.14 ATOM 895 HE ARG 57 1.863 -21.083 30.928 1.00 22.52 ATOM 896 CZ ARG 57 0.461 -20.153 32.003 1.00 0.23 ATOM 897 NH1 ARG 57 -0.357 -20.232 33.044 1.00 43.20 ATOM 898 HH11 ARG 57 -0.391 -21.041 33.624 1.00 41.41 ATOM 899 HH12 ARG 57 -0.959 -19.459 33.258 1.00 53.24 ATOM 900 NH2 ARG 57 0.478 -19.053 31.261 1.00 61.33 ATOM 901 HH21 ARG 57 1.094 -18.986 30.473 1.00 64.05 ATOM 902 HH22 ARG 57 -0.125 -18.284 31.485 1.00 34.43 ATOM 903 C ARG 57 -1.317 -25.040 30.347 1.00 32.21 ATOM 904 O ARG 57 -2.366 -24.447 30.603 1.00 32.41 ATOM 905 N LEU 58 -1.148 -25.769 29.249 1.00 12.03 ATOM 906 HN LEU 58 -0.305 -26.266 29.130 1.00 38.50 ATOM 907 CA LEU 58 -2.209 -25.918 28.259 1.00 32.33 ATOM 908 HA LEU 58 -2.754 -24.983 28.192 1.00 45.41 ATOM 909 CB LEU 58 -1.612 -26.231 26.886 1.00 30.12 ATOM 910 HB1 LEU 58 -2.352 -25.991 26.134 1.00 38.50 ATOM 911 HB2 LEU 58 -1.418 -27.299 26.839 1.00 54.12 ATOM 912 CG LEU 58 -0.313 -25.504 26.538 1.00 41.23 ATOM 913 HG LEU 58 0.402 -25.626 27.334 1.00 32.42 ATOM 914 CD1 LEU 58 0.310 -26.095 25.283 1.00 72.24 ATOM 915 HD11 LEU 58 1.374 -26.202 25.434 1.00 74.12 ATOM 916 HD12 LEU 58 0.140 -25.446 24.434 1.00 24.32 ATOM 917 HD13 LEU 58 -0.114 -27.064 25.073 1.00 31.10 ATOM 918 CD2 LEU 58 -0.567 -24.014 26.358 1.00 33.31 ATOM 919 HD21 LEU 58 0.364 -23.512 26.135 1.00 31.23 ATOM 920 HD22 LEU 58 -0.982 -23.605 27.269 1.00 73.25 ATOM 921 HD23 LEU 58 -1.263 -23.857 25.545 1.00 1.12 ATOM 922 C LEU 58 -3.183 -27.020 28.666 1.00 4.11 ATOM 923 O LEU 58 -4.400 -26.845 28.595 1.00 62.23 ATOM 924 N LEU 59 -2.639 -28.154 29.095 1.00 51.32 ATOM 925 HN LEU 59 -1.659 -28.246 29.132 1.00 38.50 ATOM 926 CA LEU 59 -3.459 -29.284 29.516 1.00 73.10 ATOM 927 HA LEU 59 -4.497 -29.062 29.338 1.00 42.34 ATOM 928 CB LEU 59 -3.089 -30.534 28.716 1.00 73.21 ATOM 929 HB1 LEU 59 -3.514 -31.397 29.214 1.00 38.50 ATOM 930 HB2 LEU 59 -2.016 -30.636 28.726 1.00 42.11 ATOM 931 CG LEU 59 -3.556 -30.562 27.260 1.00 42.20 ATOM 932 HG LEU 59 -3.101 -29.739 26.728 1.00 20.01 ATOM 933 CD1 LEU 59 -3.122 -31.853 26.585 1.00 63.43 ATOM 934 HD11 LEU 59 -3.544 -32.699 27.110 1.00 14.13 ATOM 935 HD12 LEU 59 -2.043 -31.924 26.599 1.00 10.40 ATOM 936 HD13 LEU 59 -3.466 -31.861 25.560 1.00 50.11 ATOM 937 CD2 LEU 59 -5.067 -30.398 27.181 1.00 63.21 ATOM 938 HD21 LEU 59 -5.551 -31.135 27.808 1.00 74.31 ATOM 939 HD22 LEU 59 -5.395 -30.531 26.158 1.00 4.35 ATOM 940 HD23 LEU 59 -5.344 -29.409 27.508 1.00 74.42 ATOM 941 C LEU 59 -3.291 -29.553 31.008 1.00 71.00 ATOM 942 O LEU 59 -2.652 -30.521 31.421 1.00 34.21 ATOM 943 N PRO 60 -3.879 -28.678 31.837 1.00 1.03 ATOM 944 CA PRO 60 -3.810 -28.801 33.296 1.00 35.44 ATOM 945 HA PRO 60 -2.785 -28.875 33.635 1.00 22.11 ATOM 946 CB PRO 60 -4.413 -27.485 33.792 1.00 12.34 ATOM 947 HB1 PRO 60 -3.623 -26.771 33.962 1.00 38.50 ATOM 948 HB2 PRO 60 -4.964 -27.636 34.713 1.00 70.20 ATOM 949 CG PRO 60 -5.308 -27.038 32.688 1.00 5.40 ATOM 950 HG1 PRO 60 -5.392 -25.961 32.696 1.00 38.50 ATOM 951 HG2 PRO 60 -6.282 -27.492 32.798 1.00 50.44 ATOM 952 CD PRO 60 -4.656 -27.501 31.414 1.00 11.14 ATOM 953 HD1 PRO 60 -4.010 -26.726 31.045 1.00 38.50 ATOM 954 HD2 PRO 60 -5.407 -27.759 30.684 1.00 65.45 ATOM 955 C PRO 60 -4.618 -29.986 33.816 1.00 23.04 ATOM 956 O PRO 60 -5.828 -30.063 33.611 1.00 71.15 ATOM 957 N GLY 61 -3.939 -30.908 34.492 1.00 23.13 ATOM 958 HN GLY 61 -2.976 -30.789 34.655 1.00 38.50 ATOM 959 CA GLY 61 -4.610 -32.077 35.032 1.00 44.55 ATOM 960 HA1 GLY 61 -5.686 -31.962 34.982 1.00 38.50 ATOM 961 HA2 GLY 61 -4.329 -32.179 36.069 1.00 55.15 ATOM 962 C GLY 61 -4.225 -33.352 34.308 1.00 51.54 ATOM 963 O GLY 61 -4.928 -34.359 34.393 1.00 63.55 ATOM 964 N THR 62 -3.106 -33.309 33.591 1.00 53.03 ATOM 965 HN THR 62 -2.580 -32.485 33.540 1.00 38.50 ATOM 966 CA THR 62 -2.631 -34.468 32.846 1.00 21.34 ATOM 967 HA THR 62 -3.410 -35.225 32.836 1.00 60.31 ATOM 968 CB THR 62 -2.301 -34.102 31.387 1.00 71.31 ATOM 969 HB THR 62 -1.320 -33.643 31.344 1.00 75.10 ATOM 970 OG1 THR 62 -3.261 -33.164 30.888 1.00 31.32 ATOM 971 HG1 THR 62 -3.041 -32.285 31.197 1.00 65.34 ATOM 972 CG2 THR 62 -2.292 -35.343 30.507 1.00 40.13 ATOM 973 HG21 THR 62 -2.059 -35.060 29.491 1.00 11.40 ATOM 974 HG22 THR 62 -3.264 -35.814 30.533 1.00 72.34 ATOM 975 HG23 THR 62 -1.546 -36.037 30.866 1.00 62.30 ATOM 976 C THR 62 -1.392 -35.071 33.500 1.00 54.05 ATOM 977 O THR 62 -1.108 -36.258 33.336 1.00 54.11 ATOM 978 N ILE 63 -0.659 -34.246 34.240 1.00 72.51 ATOM 979 HN ILE 63 -0.915 -33.306 34.340 1.00 38.50 ATOM 980 CA ILE 63 0.548 -34.700 34.919 1.00 2.21 ATOM 981 HA ILE 63 0.933 -35.574 34.400 1.00 2.44 ATOM 982 CB ILE 63 1.645 -33.619 34.899 1.00 10.21 ATOM 983 HB ILE 63 1.287 -32.756 35.444 1.00 32.04 ATOM 984 CG1 ILE 63 1.954 -33.202 33.460 1.00 42.31 ATOM 985 HG11 ILE 63 2.729 -32.447 33.465 1.00 38.50 ATOM 986 HG12 ILE 63 1.064 -32.788 33.009 1.00 20.20 ATOM 987 CG2 ILE 63 2.901 -34.126 35.591 1.00 64.31 ATOM 988 HG21 ILE 63 2.741 -34.146 36.659 1.00 13.01 ATOM 989 HG22 ILE 63 3.732 -33.466 35.376 1.00 63.41 ATOM 990 HG23 ILE 63 3.142 -35.123 35.250 1.00 75.21 ATOM 991 CD1 ILE 63 2.426 -34.344 32.588 1.00 42.02 ATOM 992 HD11 ILE 63 3.111 -33.960 31.852 1.00 54.24 ATOM 993 HD12 ILE 63 1.579 -34.788 32.093 1.00 24.34 ATOM 994 HD13 ILE 63 2.928 -35.101 33.168 1.00 23.30 ATOM 995 C ILE 63 0.254 -35.083 36.365 1.00 22.25 ATOM 996 O ILE 63 0.019 -34.220 37.210 1.00 34.35 ATOM 997 N GLU 64 0.272 -36.383 36.643 1.00 73.23 ATOM 998 HN GLU 64 0.480 -37.030 35.927 1.00 38.50 ATOM 999 CA GLU 64 0.008 -36.880 37.988 1.00 72.31 ATOM 1000 HA GLU 64 -0.792 -36.292 38.422 1.00 4.21 ATOM 1001 CB GLU 64 -0.438 -38.343 37.937 1.00 74.13 ATOM 1002 HB1 GLU 64 0.335 -38.928 37.459 1.00 38.50 ATOM 1003 HB2 GLU 64 -1.338 -38.401 37.339 1.00 74.44 ATOM 1004 CG GLU 64 -0.715 -38.943 39.305 1.00 75.22 ATOM 1005 HG1 GLU 64 -1.208 -38.205 39.926 1.00 38.50 ATOM 1006 HG2 GLU 64 0.225 -39.220 39.758 1.00 31.13 ATOM 1007 CD GLU 64 -1.600 -40.173 39.234 1.00 1.12 ATOM 1008 OE1 GLU 64 -1.235 -41.202 39.840 1.00 73.22 ATOM 1009 OE2 GLU 64 -2.657 -40.105 38.573 1.00 33.20 ATOM 1010 C GLU 64 1.245 -36.745 38.870 1.00 25.44 ATOM 1011 O GLU 64 1.163 -36.285 40.009 1.00 21.45 ATOM 1012 N LYS 65 2.393 -37.150 38.336 1.00 33.31 ATOM 1013 HN LYS 65 2.401 -37.532 37.427 1.00 38.50 ATOM 1014 CA LYS 65 3.649 -37.075 39.072 1.00 11.15 ATOM 1015 HA LYS 65 3.549 -36.335 39.860 1.00 60.24 ATOM 1016 CB LYS 65 3.974 -38.429 39.708 1.00 55.14 ATOM 1017 HB1 LYS 65 4.205 -39.141 38.928 1.00 38.50 ATOM 1018 HB2 LYS 65 3.094 -38.769 40.239 1.00 62.30 ATOM 1019 CG LYS 65 5.142 -38.381 40.677 1.00 32.51 ATOM 1020 HG1 LYS 65 5.044 -37.499 41.299 1.00 38.50 ATOM 1021 HG2 LYS 65 6.063 -38.313 40.115 1.00 2.02 ATOM 1022 CD LYS 65 5.165 -39.602 41.582 1.00 1.33 ATOM 1023 HD1 LYS 65 4.161 -39.984 41.724 1.00 38.50 ATOM 1024 HD2 LYS 65 5.568 -39.307 42.540 1.00 55.43 ATOM 1025 CE LYS 65 6.046 -40.703 41.011 1.00 12.52 ATOM 1026 HE1 LYS 65 6.475 -41.253 41.835 1.00 38.50 ATOM 1027 HE2 LYS 65 6.846 -40.276 40.420 1.00 15.43 ATOM 1028 NZ LYS 65 5.270 -41.650 40.165 1.00 71.55 ATOM 1029 HZ1 LYS 65 4.500 -42.083 40.717 1.00 33.51 ATOM 1030 HZ2 LYS 65 5.893 -42.406 39.817 1.00 33.12 ATOM 1031 HZ3 LYS 65 4.862 -41.155 39.347 1.00 1.40 ATOM 1032 C LYS 65 4.791 -36.644 38.158 1.00 52.14 ATOM 1033 O LYS 65 4.776 -36.919 36.958 1.00 50.12 ATOM 1034 N VAL 66 5.781 -35.968 38.732 1.00 15.34 ATOM 1035 HN VAL 66 5.732 -35.763 39.697 1.00 38.50 ATOM 1036 CA VAL 66 6.932 -35.501 37.969 1.00 32.10 ATOM 1037 HA VAL 66 7.125 -36.214 37.171 1.00 20.14 ATOM 1038 CB VAL 66 6.666 -34.120 37.341 1.00 5.23 ATOM 1039 HB VAL 66 5.672 -34.123 36.916 1.00 71.24 ATOM 1040 CG1 VAL 66 6.727 -33.031 38.402 1.00 52.25 ATOM 1041 HG11 VAL 66 7.750 -32.738 38.580 1.00 54.52 ATOM 1042 HG12 VAL 66 6.288 -33.382 39.327 1.00 51.52 ATOM 1043 HG13 VAL 66 6.172 -32.172 38.054 1.00 32.44 ATOM 1044 CG2 VAL 66 7.661 -33.843 36.224 1.00 71.02 ATOM 1045 HG21 VAL 66 7.724 -34.695 35.561 1.00 70.21 ATOM 1046 HG22 VAL 66 8.636 -33.631 36.634 1.00 52.43 ATOM 1047 HG23 VAL 66 7.328 -32.984 35.668 1.00 32.45 ATOM 1048 C VAL 66 8.176 -35.418 38.846 1.00 12.03 ATOM 1049 O VAL 66 8.081 -35.367 40.073 1.00 50.01 ATOM 1050 N TYR 67 9.342 -35.404 38.210 1.00 33.30 ATOM 1051 HN TYR 67 9.370 -35.497 37.233 1.00 38.50 ATOM 1052 CA TYR 67 10.606 -35.329 38.933 1.00 71.25 ATOM 1053 HA TYR 67 10.429 -35.466 39.985 1.00 64.11 ATOM 1054 CB TYR 67 11.547 -36.444 38.473 1.00 42.12 ATOM 1055 HB1 TYR 67 12.487 -36.354 39.003 1.00 38.50 ATOM 1056 HB2 TYR 67 11.733 -36.339 37.416 1.00 4.04 ATOM 1057 CG TYR 67 11.012 -37.834 38.733 1.00 3.13 ATOM 1058 CD1 TYR 67 11.254 -38.871 37.841 1.00 22.44 ATOM 1059 HD1 TYR 67 11.826 -38.676 36.955 1.00 24.21 ATOM 1060 CD2 TYR 67 10.266 -38.110 39.872 1.00 13.13 ATOM 1061 HD2 TYR 67 10.066 -37.331 40.589 1.00 44.43 ATOM 1062 CE1 TYR 67 10.767 -40.143 38.075 1.00 13.42 ATOM 1063 HE1 TYR 67 10.966 -40.936 37.370 1.00 51.24 ATOM 1064 CE2 TYR 67 9.776 -39.379 40.115 1.00 15.50 ATOM 1065 HE2 TYR 67 9.197 -39.573 41.006 1.00 50.21 ATOM 1066 CZ TYR 67 10.028 -40.391 39.213 1.00 22.23 ATOM 1067 OH TYR 67 9.542 -41.657 39.451 1.00 41.44 ATOM 1068 HH TYR 67 10.262 -42.240 39.712 1.00 33.12 ATOM 1069 C TYR 67 11.270 -33.971 38.729 1.00 41.04 ATOM 1070 O TYR 67 12.130 -33.795 37.865 1.00 11.11 ATOM 1071 N PRO 68 10.863 -32.986 39.543 1.00 20.32 ATOM 1072 CA PRO 68 11.406 -31.626 39.474 1.00 75.23 ATOM 1073 HA PRO 68 11.340 -31.230 38.483 1.00 14.25 ATOM 1074 CB PRO 68 10.494 -30.832 40.413 1.00 71.32 ATOM 1075 HB1 PRO 68 9.694 -30.387 39.840 1.00 38.50 ATOM 1076 HB2 PRO 68 11.048 -30.053 40.923 1.00 61.24 ATOM 1077 CG PRO 68 9.965 -31.843 41.371 1.00 2.23 ATOM 1078 HG1 PRO 68 8.997 -31.532 41.736 1.00 38.50 ATOM 1079 HG2 PRO 68 10.655 -31.967 42.193 1.00 33.15 ATOM 1080 CD PRO 68 9.842 -33.125 40.595 1.00 1.14 ATOM 1081 HD1 PRO 68 8.862 -33.194 40.177 1.00 38.50 ATOM 1082 HD2 PRO 68 10.046 -33.964 41.240 1.00 21.22 ATOM 1083 C PRO 68 12.853 -31.554 39.949 1.00 35.32 ATOM 1084 O PRO 68 13.573 -30.609 39.631 1.00 10.35 ATOM 1085 N GLU 69 13.271 -32.560 40.712 1.00 51.33 ATOM 1086 HN GLU 69 12.651 -33.275 40.976 1.00 38.50 ATOM 1087 CA GLU 69 14.633 -32.609 41.231 1.00 53.33 ATOM 1088 HA GLU 69 15.256 -31.921 40.674 1.00 11.12 ATOM 1089 CB GLU 69 14.659 -32.176 42.698 1.00 12.11 ATOM 1090 HB1 GLU 69 15.687 -32.164 43.038 1.00 38.50 ATOM 1091 HB2 GLU 69 14.101 -32.892 43.288 1.00 33.11 ATOM 1092 CG GLU 69 14.059 -30.801 42.938 1.00 52.42 ATOM 1093 HG1 GLU 69 12.995 -30.851 42.758 1.00 38.50 ATOM 1094 HG2 GLU 69 14.507 -30.096 42.251 1.00 0.22 ATOM 1095 CD GLU 69 14.288 -30.303 44.352 1.00 53.34 ATOM 1096 OE1 GLU 69 14.470 -29.080 44.527 1.00 44.42 ATOM 1097 OE2 GLU 69 14.284 -31.135 45.282 1.00 25.13 ATOM 1098 C GLU 69 15.218 -34.011 41.092 1.00 34.33 ATOM 1099 O GLU 69 15.381 -34.742 42.069 1.00 22.34 ATOM 1100 N PRO 70 15.540 -34.397 39.849 1.00 61.31 ATOM 1101 CA PRO 70 16.112 -35.714 39.552 1.00 34.20 ATOM 1102 HA PRO 70 15.494 -36.508 39.951 1.00 52.23 ATOM 1103 CB PRO 70 16.091 -35.773 38.023 1.00 64.15 ATOM 1104 HB1 PRO 70 15.181 -36.254 37.698 1.00 38.50 ATOM 1105 HB2 PRO 70 16.944 -36.325 37.646 1.00 21.42 ATOM 1106 CG PRO 70 16.125 -34.348 37.588 1.00 22.42 ATOM 1107 HG1 PRO 70 15.641 -34.245 36.628 1.00 38.50 ATOM 1108 HG2 PRO 70 17.148 -34.005 37.533 1.00 1.33 ATOM 1109 CD PRO 70 15.372 -33.578 38.637 1.00 3.31 ATOM 1110 HD1 PRO 70 14.338 -33.490 38.370 1.00 38.50 ATOM 1111 HD2 PRO 70 15.814 -32.602 38.762 1.00 62.34 ATOM 1112 C PRO 70 17.538 -35.858 40.072 1.00 51.22 ATOM 1113 O PRO 70 18.326 -34.913 40.019 1.00 71.44 ATOM 1114 N ARG 71 17.863 -37.045 40.574 1.00 43.44 ATOM 1115 HN ARG 71 17.182 -37.754 40.624 1.00 38.50 ATOM 1116 CA ARG 71 19.195 -37.311 41.104 1.00 41.23 ATOM 1117 HA ARG 71 19.794 -36.412 41.045 1.00 0.43 ATOM 1118 CB ARG 71 19.107 -37.743 42.568 1.00 21.44 ATOM 1119 HB1 ARG 71 20.104 -37.935 42.943 1.00 38.50 ATOM 1120 HB2 ARG 71 18.528 -38.654 42.630 1.00 32.34 ATOM 1121 CG ARG 71 18.453 -36.710 43.470 1.00 13.15 ATOM 1122 HG1 ARG 71 18.433 -37.092 44.481 1.00 38.50 ATOM 1123 HG2 ARG 71 17.443 -36.536 43.129 1.00 25.33 ATOM 1124 CD ARG 71 19.213 -35.393 43.452 1.00 24.34 ATOM 1125 HD1 ARG 71 18.971 -34.869 42.538 1.00 38.50 ATOM 1126 HD2 ARG 71 20.278 -35.592 43.482 1.00 20.02 ATOM 1127 NE ARG 71 18.869 -34.546 44.591 1.00 32.43 ATOM 1128 HE ARG 71 18.246 -34.908 45.264 1.00 35.43 ATOM 1129 CZ ARG 71 19.350 -33.321 44.768 1.00 0.00 ATOM 1130 NH1 ARG 71 20.191 -32.802 43.885 1.00 44.23 ATOM 1131 HH11 ARG 71 20.478 -33.315 43.077 1.00 22.30 ATOM 1132 HH12 ARG 71 20.549 -31.877 44.026 1.00 24.35 ATOM 1133 NH2 ARG 71 18.989 -32.612 45.830 1.00 2.00 ATOM 1134 HH21 ARG 71 18.353 -32.998 46.501 1.00 51.00 ATOM 1135 HH22 ARG 71 19.351 -31.687 45.966 1.00 31.12 ATOM 1136 C ARG 71 19.901 -38.388 40.285 1.00 35.44 ATOM 1137 O ARG 71 21.122 -38.526 40.344 1.00 44.13 ATOM 1138 N SER 72 19.122 -39.150 39.524 1.00 60.42 ATOM 1139 HN SER 72 18.154 -39.019 39.507 1.00 38.50 ATOM 1140 CA SER 72 19.671 -40.219 38.697 1.00 3.40 ATOM 1141 HA SER 72 20.747 -40.254 38.819 1.00 74.05 ATOM 1142 CB SER 72 19.096 -41.570 39.125 1.00 63.34 ATOM 1143 HB1 SER 72 19.272 -42.316 38.361 1.00 38.50 ATOM 1144 HB2 SER 72 18.032 -41.473 39.286 1.00 51.24 ATOM 1145 OG SER 72 19.696 -42.022 40.326 1.00 32.44 ATOM 1146 HG SER 72 19.290 -41.581 41.077 1.00 74.23 ATOM 1147 C SER 72 19.374 -39.971 37.221 1.00 3.32 ATOM 1148 O SER 72 18.702 -39.003 36.867 1.00 34.11 ATOM 1149 N GLU 73 19.882 -40.853 36.366 1.00 55.34 ATOM 1150 HN GLU 73 20.417 -41.609 36.707 1.00 38.50 ATOM 1151 CA GLU 73 19.671 -40.729 34.928 1.00 64.21 ATOM 1152 HA GLU 73 19.722 -39.678 34.665 1.00 75.30 ATOM 1153 CB GLU 73 20.764 -41.481 34.164 1.00 13.50 ATOM 1154 HB1 GLU 73 20.621 -42.547 34.303 1.00 38.50 ATOM 1155 HB2 GLU 73 21.724 -41.204 34.579 1.00 42.22 ATOM 1156 CG GLU 73 20.790 -41.170 32.677 1.00 72.12 ATOM 1157 HG1 GLU 73 21.482 -40.360 32.535 1.00 38.50 ATOM 1158 HG2 GLU 73 19.808 -40.873 32.334 1.00 12.23 ATOM 1159 CD GLU 73 21.256 -42.348 31.843 1.00 2.32 ATOM 1160 OE1 GLU 73 22.406 -42.313 31.357 1.00 30.14 ATOM 1161 OE2 GLU 73 20.471 -43.304 31.677 1.00 33.41 ATOM 1162 C GLU 73 18.298 -41.264 34.531 1.00 43.42 ATOM 1163 O GLU 73 17.665 -40.752 33.608 1.00 75.32 ATOM 1164 N SER 74 17.846 -42.296 35.235 1.00 75.23 ATOM 1165 HN SER 74 18.400 -42.676 35.957 1.00 38.50 ATOM 1166 CA SER 74 16.550 -42.904 34.954 1.00 50.33 ATOM 1167 HA SER 74 16.531 -43.194 33.912 1.00 23.42 ATOM 1168 CB SER 74 16.351 -44.153 35.814 1.00 4.02 ATOM 1169 HB1 SER 74 16.347 -43.877 36.860 1.00 38.50 ATOM 1170 HB2 SER 74 17.160 -44.845 35.629 1.00 23.34 ATOM 1171 OG SER 74 15.127 -44.795 35.505 1.00 34.45 ATOM 1172 HG SER 74 15.087 -45.642 35.955 1.00 65.51 ATOM 1173 C SER 74 15.419 -41.912 35.208 1.00 74.22 ATOM 1174 O SER 74 14.480 -41.811 34.419 1.00 51.43 ATOM 1175 N GLU 75 15.516 -41.183 36.315 1.00 22.53 ATOM 1176 HN GLU 75 16.287 -41.314 36.917 1.00 38.50 ATOM 1177 CA GLU 75 14.501 -40.201 36.674 1.00 13.52 ATOM 1178 HA GLU 75 13.552 -40.716 36.767 1.00 43.22 ATOM 1179 CB GLU 75 14.847 -39.542 38.011 1.00 13.22 ATOM 1180 HB1 GLU 75 14.263 -38.637 38.125 1.00 38.50 ATOM 1181 HB2 GLU 75 15.895 -39.273 37.997 1.00 22.13 ATOM 1182 CG GLU 75 14.612 -40.442 39.212 1.00 35.23 ATOM 1183 HG1 GLU 75 15.486 -40.399 39.846 1.00 38.50 ATOM 1184 HG2 GLU 75 14.463 -41.464 38.885 1.00 45.53 ATOM 1185 CD GLU 75 13.409 -40.018 40.033 1.00 3.32 ATOM 1186 OE1 GLU 75 12.614 -40.900 40.420 1.00 43.01 ATOM 1187 OE2 GLU 75 13.263 -38.804 40.289 1.00 62.33 ATOM 1188 C GLU 75 14.367 -39.135 35.590 1.00 60.55 ATOM 1189 O GLU 75 13.260 -38.805 35.162 1.00 21.22 ATOM 1190 N CYS 76 15.501 -38.602 35.150 1.00 62.13 ATOM 1191 HN CYS 76 16.358 -38.900 35.539 1.00 38.50 ATOM 1192 CA CYS 76 15.512 -37.573 34.116 1.00 71.22 ATOM 1193 HA CYS 76 15.058 -36.684 34.532 1.00 72.24 ATOM 1194 CB CYS 76 16.948 -37.255 33.699 1.00 44.03 ATOM 1195 HB1 CYS 76 17.365 -38.096 33.161 1.00 38.50 ATOM 1196 HB2 CYS 76 17.538 -37.080 34.587 1.00 11.42 ATOM 1197 SG CYS 76 17.105 -35.792 32.648 1.00 40.02 ATOM 1198 HG CYS 76 15.885 -35.390 32.321 1.00 51.42 ATOM 1199 C CYS 76 14.703 -38.015 32.901 1.00 54.11 ATOM 1200 O CYS 76 13.757 -37.340 32.493 1.00 53.34 ATOM 1201 N LEU 77 15.081 -39.151 32.326 1.00 70.01 ATOM 1202 HN LEU 77 15.845 -39.649 32.704 1.00 38.50 ATOM 1203 CA LEU 77 14.391 -39.683 31.156 1.00 44.15 ATOM 1204 HA LEU 77 14.565 -39.008 30.331 1.00 42.25 ATOM 1205 CB LEU 77 14.948 -41.061 30.794 1.00 43.15 ATOM 1206 HB1 LEU 77 14.371 -41.460 29.966 1.00 38.50 ATOM 1207 HB2 LEU 77 14.787 -41.705 31.652 1.00 33.43 ATOM 1208 CG LEU 77 16.431 -41.110 30.424 1.00 41.44 ATOM 1209 HG LEU 77 16.976 -40.381 31.008 1.00 62.30 ATOM 1210 CD1 LEU 77 17.015 -42.478 30.739 1.00 4.44 ATOM 1211 HD11 LEU 77 16.504 -43.236 30.161 1.00 2.23 ATOM 1212 HD12 LEU 77 16.895 -42.689 31.792 1.00 31.15 ATOM 1213 HD13 LEU 77 18.068 -42.489 30.493 1.00 44.41 ATOM 1214 CD2 LEU 77 16.625 -40.771 28.953 1.00 62.34 ATOM 1215 HD21 LEU 77 16.230 -39.784 28.753 1.00 70.45 ATOM 1216 HD22 LEU 77 16.107 -41.495 28.339 1.00 64.31 ATOM 1217 HD23 LEU 77 17.679 -40.786 28.713 1.00 20.13 ATOM 1218 C LEU 77 12.890 -39.778 31.405 1.00 74.21 ATOM 1219 O LEU 77 12.085 -39.564 30.498 1.00 31.52 ATOM 1220 N SER 78 12.519 -40.098 32.641 1.00 63.44 ATOM 1221 HN SER 78 13.205 -40.283 33.325 1.00 38.50 ATOM 1222 CA SER 78 11.114 -40.223 33.009 1.00 30.43 ATOM 1223 HA SER 78 10.680 -41.015 32.414 1.00 13.42 ATOM 1224 CB SER 78 10.984 -40.590 34.489 1.00 53.11 ATOM 1225 HB1 SER 78 9.991 -40.978 34.666 1.00 38.50 ATOM 1226 HB2 SER 78 11.138 -39.720 35.108 1.00 13.43 ATOM 1227 OG SER 78 11.927 -41.583 34.853 1.00 1.44 ATOM 1228 HG SER 78 11.596 -42.087 35.601 1.00 63.12 ATOM 1229 C SER 78 10.361 -38.927 32.727 1.00 72.14 ATOM 1230 O SER 78 9.268 -38.942 32.162 1.00 70.10 ATOM 1231 N ASN 79 10.955 -37.806 33.124 1.00 34.41 ATOM 1232 HN ASN 79 11.827 -37.856 33.584 1.00 38.50 ATOM 1233 CA ASN 79 10.340 -36.500 32.915 1.00 65.34 ATOM 1234 HA ASN 79 9.447 -36.450 33.523 1.00 21.33 ATOM 1235 CB ASN 79 11.305 -35.388 33.331 1.00 53.44 ATOM 1236 HB1 ASN 79 10.950 -34.455 32.934 1.00 38.50 ATOM 1237 HB2 ASN 79 12.285 -35.588 32.938 1.00 33.40 ATOM 1238 CG ASN 79 11.396 -35.235 34.837 1.00 52.33 ATOM 1239 OD1 ASN 79 10.465 -35.580 35.564 1.00 13.22 ATOM 1240 ND2 ASN 79 12.522 -34.715 35.311 1.00 12.23 ATOM 1241 HD21 ASN 79 13.233 -34.456 34.681 1.00 20.44 ATOM 1242 HD22 ASN 79 12.602 -34.610 36.281 1.00 33.34 ATOM 1243 C ASN 79 9.935 -36.318 31.455 1.00 11.32 ATOM 1244 O ASN 79 8.822 -35.881 31.160 1.00 70.22 ATOM 1245 N ILE 80 10.845 -36.655 30.547 1.00 34.04 ATOM 1246 HN ILE 80 11.714 -37.013 30.845 1.00 38.50 ATOM 1247 CA ILE 80 10.581 -36.530 29.119 1.00 11.03 ATOM 1248 HA ILE 80 10.273 -35.509 28.919 1.00 52.20 ATOM 1249 CB ILE 80 11.842 -36.826 28.286 1.00 51.30 ATOM 1250 HB ILE 80 12.142 -37.836 28.499 1.00 52.41 ATOM 1251 CG1 ILE 80 12.972 -35.871 28.675 1.00 3.30 ATOM 1252 HG11 ILE 80 12.998 -35.738 29.747 1.00 38.50 ATOM 1253 HG12 ILE 80 12.812 -34.907 28.212 1.00 40.22 ATOM 1254 CG2 ILE 80 11.533 -36.713 26.800 1.00 5.24 ATOM 1255 HG21 ILE 80 12.446 -36.580 26.238 1.00 3.32 ATOM 1256 HG22 ILE 80 10.882 -35.868 26.616 1.00 71.04 ATOM 1257 HG23 ILE 80 11.048 -37.616 26.469 1.00 61.22 ATOM 1258 CD1 ILE 80 14.343 -36.356 28.259 1.00 23.34 ATOM 1259 HD11 ILE 80 15.091 -35.661 28.610 1.00 45.15 ATOM 1260 HD12 ILE 80 14.393 -36.423 27.183 1.00 3.34 ATOM 1261 HD13 ILE 80 14.528 -37.329 28.689 1.00 11.31 ATOM 1262 C ILE 80 9.464 -37.471 28.682 1.00 31.50 ATOM 1263 O ILE 80 8.538 -37.068 27.977 1.00 25.13 ATOM 1264 N ARG 81 9.556 -38.728 29.106 1.00 2.43 ATOM 1265 HN ARG 81 10.327 -38.996 29.662 1.00 38.50 ATOM 1266 CA ARG 81 8.553 -39.727 28.759 1.00 0.11 ATOM 1267 HA ARG 81 8.578 -39.880 27.695 1.00 64.21 ATOM 1268 CB ARG 81 8.863 -41.055 29.453 1.00 45.51 ATOM 1269 HB1 ARG 81 8.029 -41.728 29.307 1.00 38.50 ATOM 1270 HB2 ARG 81 8.973 -40.866 30.513 1.00 70.51 ATOM 1271 CG ARG 81 10.140 -41.716 28.959 1.00 12.10 ATOM 1272 HG1 ARG 81 10.744 -41.977 29.814 1.00 38.50 ATOM 1273 HG2 ARG 81 10.693 -41.033 28.327 1.00 13.11 ATOM 1274 CD ARG 81 9.842 -42.980 28.167 1.00 10.43 ATOM 1275 HD1 ARG 81 10.773 -43.421 27.840 1.00 38.50 ATOM 1276 HD2 ARG 81 9.257 -42.709 27.298 1.00 23.31 ATOM 1277 NE ARG 81 9.086 -43.952 28.952 1.00 55.40 ATOM 1278 HE ARG 81 8.133 -44.042 28.753 1.00 5.23 ATOM 1279 CZ ARG 81 9.628 -44.721 29.889 1.00 72.40 ATOM 1280 NH1 ARG 81 10.923 -44.632 30.157 1.00 62.41 ATOM 1281 HH11 ARG 81 11.517 -43.997 29.672 1.00 13.01 ATOM 1282 HH12 ARG 81 11.320 -45.217 30.867 1.00 72.32 ATOM 1283 NH2 ARG 81 8.874 -45.582 30.561 1.00 74.14 ATOM 1284 HH21 ARG 81 7.894 -45.654 30.364 1.00 54.24 ATOM 1285 HH22 ARG 81 9.281 -46.164 31.268 1.00 15.03 ATOM 1286 C ARG 81 7.156 -39.252 29.147 1.00 32.34 ATOM 1287 O ARG 81 6.215 -39.353 28.361 1.00 62.44 ATOM 1288 N GLU 82 7.029 -38.735 30.366 1.00 61.44 ATOM 1289 HN GLU 82 7.818 -38.696 30.956 1.00 38.50 ATOM 1290 CA GLU 82 5.746 -38.247 30.858 1.00 44.11 ATOM 1291 HA GLU 82 5.085 -39.098 30.945 1.00 11.03 ATOM 1292 CB GLU 82 5.920 -37.580 32.224 1.00 52.52 ATOM 1293 HB1 GLU 82 5.590 -36.559 32.165 1.00 38.50 ATOM 1294 HB2 GLU 82 6.963 -37.584 32.509 1.00 32.31 ATOM 1295 CG GLU 82 5.127 -38.249 33.334 1.00 71.25 ATOM 1296 HG1 GLU 82 4.080 -38.243 33.067 1.00 38.50 ATOM 1297 HG2 GLU 82 5.267 -37.689 34.246 1.00 1.10 ATOM 1298 CD GLU 82 5.559 -39.682 33.576 1.00 74.52 ATOM 1299 OE1 GLU 82 6.701 -40.027 33.208 1.00 62.41 ATOM 1300 OE2 GLU 82 4.755 -40.459 34.133 1.00 53.23 ATOM 1301 C GLU 82 5.126 -37.261 29.873 1.00 55.42 ATOM 1302 O GLU 82 3.983 -37.428 29.447 1.00 55.11 ATOM 1303 N PHE 83 5.887 -36.232 29.516 1.00 50.25 ATOM 1304 HN PHE 83 6.796 -36.150 29.895 1.00 38.50 ATOM 1305 CA PHE 83 5.412 -35.217 28.582 1.00 1.01 ATOM 1306 HA PHE 83 4.596 -34.687 29.052 1.00 33.22 ATOM 1307 CB PHE 83 6.531 -34.222 28.265 1.00 73.55 ATOM 1308 HB1 PHE 83 7.418 -34.772 27.978 1.00 38.50 ATOM 1309 HB2 PHE 83 6.747 -33.657 29.161 1.00 50.31 ATOM 1310 CG PHE 83 6.184 -33.262 27.163 1.00 13.45 ATOM 1311 CD1 PHE 83 6.475 -33.565 25.843 1.00 25.45 ATOM 1312 HD1 PHE 83 6.957 -34.503 25.604 1.00 30.42 ATOM 1313 CD2 PHE 83 5.565 -32.055 27.448 1.00 3.14 ATOM 1314 HD2 PHE 83 5.325 -31.812 28.469 1.00 41.41 ATOM 1315 CE1 PHE 83 6.158 -32.683 24.829 1.00 51.44 ATOM 1316 HE1 PHE 83 6.391 -32.932 23.804 1.00 60.22 ATOM 1317 CE2 PHE 83 5.245 -31.168 26.438 1.00 70.24 ATOM 1318 HE2 PHE 83 4.763 -30.231 26.674 1.00 75.32 ATOM 1319 CZ PHE 83 5.541 -31.483 25.126 1.00 72.12 ATOM 1320 HZ PHE 83 5.294 -30.792 24.334 1.00 41.42 ATOM 1321 C PHE 83 4.905 -35.858 27.294 1.00 40.14 ATOM 1322 O PHE 83 3.872 -35.460 26.753 1.00 44.41 ATOM 1323 N LEU 84 5.639 -36.852 26.806 1.00 34.53 ATOM 1324 HN LEU 84 6.446 -37.141 27.293 1.00 38.50 ATOM 1325 CA LEU 84 5.265 -37.550 25.581 1.00 52.44 ATOM 1326 HA LEU 84 5.032 -36.811 24.825 1.00 23.01 ATOM 1327 CB LEU 84 6.430 -38.407 25.082 1.00 12.44 ATOM 1328 HB1 LEU 84 6.165 -38.810 24.113 1.00 38.50 ATOM 1329 HB2 LEU 84 6.533 -39.242 25.770 1.00 4.23 ATOM 1330 CG LEU 84 7.784 -37.704 24.980 1.00 61.14 ATOM 1331 HG LEU 84 7.871 -36.950 25.741 1.00 60.03 ATOM 1332 CD1 LEU 84 8.917 -38.696 25.189 1.00 24.24 ATOM 1333 HD11 LEU 84 8.666 -39.655 24.755 1.00 52.02 ATOM 1334 HD12 LEU 84 9.086 -38.813 26.238 1.00 22.43 ATOM 1335 HD13 LEU 84 9.829 -38.329 24.736 1.00 32.24 ATOM 1336 CD2 LEU 84 7.923 -37.009 23.633 1.00 65.20 ATOM 1337 HD21 LEU 84 7.092 -37.253 22.984 1.00 33.12 ATOM 1338 HD22 LEU 84 8.841 -37.303 23.150 1.00 60.23 ATOM 1339 HD23 LEU 84 7.938 -35.941 23.792 1.00 10.15 ATOM 1340 C LEU 84 4.035 -38.424 25.805 1.00 40.44 ATOM 1341 O LEU 84 3.279 -38.699 24.873 1.00 14.50 ATOM 1342 N ARG 85 3.841 -38.856 27.046 1.00 13.54 ATOM 1343 HN ARG 85 4.489 -38.637 27.743 1.00 38.50 ATOM 1344 CA ARG 85 2.702 -39.697 27.393 1.00 20.40 ATOM 1345 HA ARG 85 2.566 -40.423 26.598 1.00 43.01 ATOM 1346 CB ARG 85 2.967 -40.434 28.708 1.00 54.24 ATOM 1347 HB1 ARG 85 2.551 -39.875 29.538 1.00 38.50 ATOM 1348 HB2 ARG 85 4.039 -40.510 28.850 1.00 73.34 ATOM 1349 CG ARG 85 2.389 -41.839 28.745 1.00 35.15 ATOM 1350 HG1 ARG 85 2.696 -42.373 27.856 1.00 38.50 ATOM 1351 HG2 ARG 85 1.312 -41.774 28.774 1.00 31.42 ATOM 1352 CD ARG 85 2.869 -42.606 29.967 1.00 24.51 ATOM 1353 HD1 ARG 85 2.334 -43.544 30.017 1.00 38.50 ATOM 1354 HD2 ARG 85 2.641 -42.018 30.847 1.00 61.24 ATOM 1355 NE ARG 85 4.303 -42.880 29.912 1.00 31.22 ATOM 1356 HE ARG 85 4.749 -42.828 29.034 1.00 0.30 ATOM 1357 CZ ARG 85 5.031 -43.200 30.976 1.00 62.41 ATOM 1358 NH1 ARG 85 4.463 -43.287 32.171 1.00 61.02 ATOM 1359 HH11 ARG 85 3.489 -43.121 32.302 1.00 40.32 ATOM 1360 HH12 ARG 85 5.024 -43.526 32.967 1.00 14.50 ATOM 1361 NH2 ARG 85 6.331 -43.435 30.846 1.00 73.24 ATOM 1362 HH21 ARG 85 6.758 -43.369 29.952 1.00 24.04 ATOM 1363 HH22 ARG 85 6.884 -43.678 31.645 1.00 51.15 ATOM 1364 C ARG 85 1.428 -38.867 27.511 1.00 55.34 ATOM 1365 O ARG 85 0.342 -39.322 27.153 1.00 62.25 ATOM 1366 N GLY 86 1.568 -37.645 28.016 1.00 51.34 ATOM 1367 HN GLY 86 2.450 -37.324 28.307 1.00 38.50 ATOM 1368 CA GLY 86 0.420 -36.770 28.172 1.00 23.31 ATOM 1369 HA1 GLY 86 0.656 -36.020 28.901 1.00 38.50 ATOM 1370 HA2 GLY 86 -0.426 -37.343 28.534 1.00 52.44 ATOM 1371 C GLY 86 0.028 -36.091 26.875 1.00 2.32 ATOM 1372 O GLY 86 -1.142 -36.101 26.490 1.00 4.01 ATOM 1373 N CYS 87 1.007 -35.497 26.201 1.00 72.31 ATOM 1374 HN CYS 87 1.926 -35.522 26.563 1.00 38.50 ATOM 1375 CA CYS 87 0.757 -34.807 24.940 1.00 4.13 ATOM 1376 HA CYS 87 0.016 -34.038 25.120 1.00 21.31 ATOM 1377 CB CYS 87 2.046 -34.166 24.423 1.00 53.43 ATOM 1378 HB1 CYS 87 2.038 -34.153 23.339 1.00 38.50 ATOM 1379 HB2 CYS 87 2.896 -34.736 24.751 1.00 73.21 ATOM 1380 SG CYS 87 2.287 -32.456 24.961 1.00 63.35 ATOM 1381 HG CYS 87 1.182 -31.780 24.684 1.00 42.41 ATOM 1382 C CYS 87 0.198 -35.767 23.896 1.00 73.20 ATOM 1383 O CYS 87 -0.706 -35.418 23.138 1.00 42.05 ATOM 1384 N GLY 88 0.743 -36.980 23.862 1.00 54.32 ATOM 1385 HN GLY 88 1.473 -37.215 24.477 1.00 38.50 ATOM 1386 CA GLY 88 0.286 -37.971 22.905 1.00 24.35 ATOM 1387 HA1 GLY 88 1.080 -38.686 22.750 1.00 38.50 ATOM 1388 HA2 GLY 88 0.070 -37.492 21.963 1.00 72.12 ATOM 1389 C GLY 88 -0.943 -38.716 23.385 1.00 75.40 ATOM 1390 O GLY 88 -1.456 -39.594 22.691 1.00 41.34 ATOM 1391 N ALA 89 -1.417 -38.368 24.577 1.00 54.24 ATOM 1392 HN ALA 89 -0.981 -37.681 25.098 1.00 38.50 ATOM 1393 CA ALA 89 -2.595 -39.010 25.148 1.00 2.40 ATOM 1394 HA ALA 89 -2.632 -40.040 24.811 1.00 42.42 ATOM 1395 CB ALA 89 -2.501 -39.028 26.667 1.00 71.25 ATOM 1396 HB1 ALA 89 -2.008 -38.143 27.022 1.00 62.12 ATOM 1397 HB2 ALA 89 -1.942 -39.896 26.974 1.00 11.40 ATOM 1398 HB3 ALA 89 -3.491 -39.084 27.103 1.00 4.40 ATOM 1399 C ALA 89 -3.873 -38.307 24.704 1.00 72.14 ATOM 1400 O ALA 89 -4.757 -38.924 24.108 1.00 3.52 ATOM 1401 N SER 90 -3.965 -37.014 24.997 1.00 31.04 ATOM 1402 HN SER 90 -3.216 -36.567 25.460 1.00 38.50 ATOM 1403 CA SER 90 -5.138 -36.229 24.632 1.00 51.42 ATOM 1404 HA SER 90 -6.001 -36.884 24.590 1.00 70.24 ATOM 1405 CB SER 90 -5.405 -35.151 25.685 1.00 60.13 ATOM 1406 HB1 SER 90 -4.568 -34.470 25.736 1.00 38.50 ATOM 1407 HB2 SER 90 -5.538 -35.623 26.647 1.00 2.41 ATOM 1408 OG SER 90 -6.578 -34.418 25.378 1.00 51.21 ATOM 1409 HG SER 90 -6.369 -33.722 24.750 1.00 61.14 ATOM 1410 C SER 90 -4.954 -35.583 23.262 1.00 41.40 ATOM 1411 O SER 90 -5.680 -35.889 22.315 1.00 22.22 ATOM 1412 N LEU 91 -3.978 -34.687 23.164 1.00 11.50 ATOM 1413 HN LEU 91 -3.414 -34.497 23.950 1.00 38.50 ATOM 1414 CA LEU 91 -3.697 -33.996 21.910 1.00 3.23 ATOM 1415 HA LEU 91 -4.601 -33.489 21.595 1.00 61.05 ATOM 1416 CB LEU 91 -2.585 -32.965 22.112 1.00 43.23 ATOM 1417 HB1 LEU 91 -2.021 -32.896 21.191 1.00 38.50 ATOM 1418 HB2 LEU 91 -1.918 -33.339 22.877 1.00 34.12 ATOM 1419 CG LEU 91 -3.037 -31.557 22.500 1.00 51.33 ATOM 1420 HG LEU 91 -3.954 -31.615 23.072 1.00 41.03 ATOM 1421 CD1 LEU 91 -1.992 -30.883 23.375 1.00 14.35 ATOM 1422 HD11 LEU 91 -1.084 -30.731 22.807 1.00 1.13 ATOM 1423 HD12 LEU 91 -1.774 -31.505 24.230 1.00 0.32 ATOM 1424 HD13 LEU 91 -2.366 -29.928 23.714 1.00 50.51 ATOM 1425 CD2 LEU 91 -3.312 -30.723 21.256 1.00 23.24 ATOM 1426 HD21 LEU 91 -3.372 -29.673 21.513 1.00 21.34 ATOM 1427 HD22 LEU 91 -4.253 -31.034 20.826 1.00 72.03 ATOM 1428 HD23 LEU 91 -2.529 -30.874 20.532 1.00 3.32 ATOM 1429 C LEU 91 -3.297 -34.986 20.821 1.00 42.30 ATOM 1430 O LEU 91 -3.640 -34.809 19.652 1.00 64.22 ATOM 1431 N ARG 92 -2.572 -36.028 21.213 1.00 21.22 ATOM 1432 HN ARG 92 -2.306 -36.122 22.154 1.00 38.50 ATOM 1433 CA ARG 92 -2.126 -37.047 20.270 1.00 33.14 ATOM 1434 HA ARG 92 -1.551 -37.773 20.820 1.00 0.43 ATOM 1435 CB ARG 92 -3.330 -37.743 19.632 1.00 0.20 ATOM 1436 HB1 ARG 92 -3.727 -37.124 18.837 1.00 38.50 ATOM 1437 HB2 ARG 92 -4.102 -37.868 20.382 1.00 32.23 ATOM 1438 CG ARG 92 -3.004 -39.106 19.045 1.00 75.51 ATOM 1439 HG1 ARG 92 -2.100 -39.043 18.459 1.00 38.50 ATOM 1440 HG2 ARG 92 -3.822 -39.407 18.406 1.00 21.40 ATOM 1441 CD ARG 92 -2.817 -40.151 20.134 1.00 61.43 ATOM 1442 HD1 ARG 92 -3.434 -39.899 20.989 1.00 38.50 ATOM 1443 HD2 ARG 92 -1.782 -40.153 20.435 1.00 74.44 ATOM 1444 NE ARG 92 -3.188 -41.489 19.679 1.00 41.43 ATOM 1445 HE ARG 92 -4.043 -41.853 19.999 1.00 61.22 ATOM 1446 CZ ARG 92 -2.436 -42.224 18.867 1.00 3.14 ATOM 1447 NH1 ARG 92 -1.278 -41.754 18.425 1.00 64.23 ATOM 1448 HH11 ARG 92 -0.942 -40.855 18.684 1.00 1.34 ATOM 1449 HH12 ARG 92 -0.721 -42.318 17.811 1.00 74.41 ATOM 1450 NH2 ARG 92 -2.841 -43.432 18.498 1.00 54.01 ATOM 1451 HH21 ARG 92 -3.715 -43.794 18.830 1.00 63.52 ATOM 1452 HH22 ARG 92 -2.275 -43.988 17.885 1.00 22.43 ATOM 1453 C ARG 92 -1.244 -36.436 19.186 1.00 54.44 ATOM 1454 O ARG 92 -1.281 -36.858 18.029 1.00 22.53 ATOM 1455 N LEU 93 -0.454 -35.438 19.566 1.00 64.30 ATOM 1456 HN LEU 93 -0.451 -35.158 20.508 1.00 38.50 ATOM 1457 CA LEU 93 0.438 -34.768 18.626 1.00 52.40 ATOM 1458 HA LEU 93 -0.057 -34.706 17.664 1.00 52.12 ATOM 1459 CB LEU 93 0.743 -33.348 19.106 1.00 13.44 ATOM 1460 HB1 LEU 93 -0.203 -32.824 19.151 1.00 38.50 ATOM 1461 HB2 LEU 93 1.345 -32.864 18.361 1.00 53.41 ATOM 1462 CG LEU 93 1.430 -33.233 20.467 1.00 3.33 ATOM 1463 HG LEU 93 1.330 -34.161 21.013 1.00 63.32 ATOM 1464 CD1 LEU 93 2.917 -32.966 20.293 1.00 25.42 ATOM 1465 HD11 LEU 93 3.284 -33.433 19.399 1.00 41.13 ATOM 1466 HD12 LEU 93 3.450 -33.364 21.142 1.00 10.33 ATOM 1467 HD13 LEU 93 3.099 -31.899 20.230 1.00 61.15 ATOM 1468 CD2 LEU 93 0.784 -32.135 21.300 1.00 21.44 ATOM 1469 HD21 LEU 93 -0.228 -32.379 21.486 1.00 35.13 ATOM 1470 HD22 LEU 93 0.835 -31.201 20.768 1.00 63.12 ATOM 1471 HD23 LEU 93 1.305 -32.037 22.239 1.00 51.24 ATOM 1472 C LEU 93 1.737 -35.549 18.455 1.00 13.22 ATOM 1473 O LEU 93 1.903 -36.626 19.026 1.00 3.12 ATOM 1474 N GLU 94 2.654 -34.997 17.667 1.00 2.34 ATOM 1475 HN GLU 94 2.455 -34.151 17.205 1.00 38.50 ATOM 1476 CA GLU 94 3.939 -35.642 17.423 1.00 32.14 ATOM 1477 HA GLU 94 3.754 -36.550 16.865 1.00 74.10 ATOM 1478 CB GLU 94 4.848 -34.725 16.602 1.00 13.03 ATOM 1479 HB1 GLU 94 5.851 -35.140 16.593 1.00 38.50 ATOM 1480 HB2 GLU 94 4.876 -33.753 17.072 1.00 32.53 ATOM 1481 CG GLU 94 4.391 -34.545 15.164 1.00 5.23 ATOM 1482 HG1 GLU 94 3.557 -33.859 15.149 1.00 38.50 ATOM 1483 HG2 GLU 94 4.076 -35.502 14.768 1.00 64.04 ATOM 1484 CD GLU 94 5.487 -33.999 14.269 1.00 72.23 ATOM 1485 OE1 GLU 94 6.577 -34.606 14.228 1.00 44.44 ATOM 1486 OE2 GLU 94 5.252 -32.965 13.609 1.00 64.13 ATOM 1487 C GLU 94 4.622 -36.009 18.738 1.00 52.12 ATOM 1488 O GLU 94 4.294 -35.467 19.794 1.00 20.21 ATOM 1489 N THR 95 5.574 -36.934 18.665 1.00 31.13 ATOM 1490 HN THR 95 5.786 -37.343 17.792 1.00 38.50 ATOM 1491 CA THR 95 6.302 -37.376 19.848 1.00 43.51 ATOM 1492 HA THR 95 6.419 -36.532 20.522 1.00 21.21 ATOM 1493 CB THR 95 5.545 -38.494 20.589 1.00 44.11 ATOM 1494 HB THR 95 6.185 -38.949 21.331 1.00 51.52 ATOM 1495 OG1 THR 95 5.132 -39.504 19.661 1.00 2.54 ATOM 1496 HG1 THR 95 5.870 -40.089 19.472 1.00 41.31 ATOM 1497 CG2 THR 95 4.330 -37.936 21.314 1.00 20.21 ATOM 1498 HG21 THR 95 3.561 -37.692 20.598 1.00 45.41 ATOM 1499 HG22 THR 95 4.603 -37.048 21.869 1.00 1.12 ATOM 1500 HG23 THR 95 3.953 -38.681 22.000 1.00 13.34 ATOM 1501 C THR 95 7.694 -37.876 19.481 1.00 65.40 ATOM 1502 O THR 95 8.085 -37.856 18.314 1.00 51.35 ATOM 1503 N PHE 96 8.440 -38.327 20.485 1.00 73.13 ATOM 1504 HN PHE 96 8.088 -38.316 21.392 1.00 38.50 ATOM 1505 CA PHE 96 9.790 -38.834 20.267 1.00 13.42 ATOM 1506 HA PHE 96 9.771 -39.507 19.419 1.00 23.14 ATOM 1507 CB PHE 96 10.747 -37.680 19.963 1.00 43.31 ATOM 1508 HB1 PHE 96 10.397 -37.167 19.076 1.00 38.50 ATOM 1509 HB2 PHE 96 11.734 -38.076 19.762 1.00 15.15 ATOM 1510 CG PHE 96 10.846 -36.673 21.074 1.00 75.53 ATOM 1511 CD1 PHE 96 9.849 -35.730 21.262 1.00 54.24 ATOM 1512 HD1 PHE 96 8.995 -35.722 20.605 1.00 50.44 ATOM 1513 CD2 PHE 96 11.935 -36.671 21.930 1.00 42.04 ATOM 1514 HD2 PHE 96 12.720 -37.393 21.791 1.00 52.44 ATOM 1515 CE1 PHE 96 9.936 -34.803 22.283 1.00 13.40 ATOM 1516 HE1 PHE 96 9.159 -34.079 22.427 1.00 73.23 ATOM 1517 CE2 PHE 96 12.027 -35.747 22.953 1.00 45.30 ATOM 1518 HE2 PHE 96 12.870 -35.761 23.616 1.00 0.20 ATOM 1519 CZ PHE 96 11.027 -34.811 23.129 1.00 2.51 ATOM 1520 HZ PHE 96 11.098 -34.088 23.928 1.00 11.41 ATOM 1521 C PHE 96 10.282 -39.610 21.485 1.00 70.31 ATOM 1522 O PHE 96 9.587 -39.705 22.497 1.00 42.41 ATOM 1523 N ASP 97 11.484 -40.165 21.379 1.00 63.24 ATOM 1524 HN ASP 97 11.999 -40.057 20.545 1.00 38.50 ATOM 1525 CA ASP 97 12.071 -40.934 22.470 1.00 10.33 ATOM 1526 HA ASP 97 11.257 -41.369 23.044 1.00 61.25 ATOM 1527 CB ASP 97 12.943 -42.062 21.917 1.00 32.01 ATOM 1528 HB1 ASP 97 13.905 -41.672 21.630 1.00 38.50 ATOM 1529 HB2 ASP 97 12.463 -42.491 21.049 1.00 3.12 ATOM 1530 CG ASP 97 13.164 -43.171 22.927 1.00 5.42 ATOM 1531 OD1 ASP 97 13.952 -44.093 22.632 1.00 64.03 ATOM 1532 OD2 ASP 97 12.549 -43.116 24.013 1.00 64.31 ATOM 1533 C ASP 97 12.899 -40.035 23.383 1.00 22.25 ATOM 1534 O ASP 97 13.663 -39.192 22.914 1.00 14.34 ATOM 1535 N ALA 98 12.742 -40.222 24.690 1.00 53.21 ATOM 1536 HN ALA 98 12.115 -40.917 25.006 1.00 38.50 ATOM 1537 CA ALA 98 13.475 -39.429 25.669 1.00 64.13 ATOM 1538 HA ALA 98 13.219 -38.396 25.521 1.00 61.25 ATOM 1539 CB ALA 98 13.069 -39.825 27.080 1.00 32.33 ATOM 1540 HB1 ALA 98 13.631 -39.245 27.799 1.00 35.12 ATOM 1541 HB2 ALA 98 13.269 -40.876 27.231 1.00 44.53 ATOM 1542 HB3 ALA 98 12.014 -39.638 27.214 1.00 0.53 ATOM 1543 C ALA 98 14.981 -39.587 25.486 1.00 70.23 ATOM 1544 O ALA 98 15.756 -38.704 25.850 1.00 30.23 ATOM 1545 N ASN 99 15.388 -40.719 24.919 1.00 0.52 ATOM 1546 HN ASN 99 14.729 -41.399 24.659 1.00 38.50 ATOM 1547 CA ASN 99 16.802 -40.993 24.689 1.00 12.42 ATOM 1548 HA ASN 99 17.343 -40.785 25.604 1.00 55.04 ATOM 1549 CB ASN 99 17.005 -42.465 24.325 1.00 53.32 ATOM 1550 HB1 ASN 99 18.060 -42.696 24.360 1.00 38.50 ATOM 1551 HB2 ASN 99 16.634 -42.645 23.324 1.00 25.11 ATOM 1552 CG ASN 99 16.273 -43.400 25.268 1.00 54.12 ATOM 1553 OD1 ASN 99 15.180 -43.877 24.962 1.00 15.23 ATOM 1554 ND2 ASN 99 16.874 -43.666 26.422 1.00 73.14 ATOM 1555 HD21 ASN 99 17.748 -43.256 26.613 1.00 73.24 ATOM 1556 HD22 ASN 99 16.417 -44.268 27.045 1.00 71.23 ATOM 1557 C ASN 99 17.355 -40.102 23.581 1.00 4.10 ATOM 1558 O ASN 99 18.534 -39.746 23.587 1.00 70.21 ATOM 1559 N ASP 100 16.497 -39.745 22.632 1.00 32.12 ATOM 1560 HN ASP 100 15.568 -40.070 22.665 1.00 38.50 ATOM 1561 CA ASP 100 16.899 -38.894 21.518 1.00 73.40 ATOM 1562 HA ASP 100 17.806 -39.305 21.087 1.00 5.54 ATOM 1563 CB ASP 100 15.803 -38.863 20.451 1.00 20.23 ATOM 1564 HB1 ASP 100 15.906 -37.970 19.846 1.00 38.50 ATOM 1565 HB2 ASP 100 14.837 -38.854 20.921 1.00 25.01 ATOM 1566 CG ASP 100 15.868 -40.057 19.519 1.00 22.13 ATOM 1567 OD1 ASP 100 16.620 -39.992 18.525 1.00 61.43 ATOM 1568 OD2 ASP 100 15.166 -41.056 19.784 1.00 4.10 ATOM 1569 C ASP 100 17.200 -37.478 21.997 1.00 40.30 ATOM 1570 O ASP 100 18.012 -36.769 21.400 1.00 15.44 ATOM 1571 N LEU 101 16.541 -37.071 23.076 1.00 21.14 ATOM 1572 HN LEU 101 15.898 -37.673 23.517 1.00 38.50 ATOM 1573 CA LEU 101 16.737 -35.738 23.636 1.00 63.14 ATOM 1574 HA LEU 101 17.002 -35.057 22.835 1.00 33.41 ATOM 1575 CB LEU 101 15.444 -35.239 24.282 1.00 73.12 ATOM 1576 HB1 LEU 101 15.007 -36.054 24.844 1.00 38.50 ATOM 1577 HB2 LEU 101 14.770 -34.973 23.484 1.00 23.04 ATOM 1578 CG LEU 101 15.580 -34.034 25.213 1.00 50.44 ATOM 1579 HG LEU 101 16.154 -34.314 26.085 1.00 62.34 ATOM 1580 CD1 LEU 101 16.310 -32.898 24.512 1.00 21.31 ATOM 1581 HD11 LEU 101 15.847 -32.694 23.563 1.00 63.41 ATOM 1582 HD12 LEU 101 17.332 -33.162 24.354 1.00 50.34 ATOM 1583 HD13 LEU 101 16.273 -32.009 25.123 1.00 71.10 ATOM 1584 CD2 LEU 101 14.211 -33.574 25.693 1.00 4.25 ATOM 1585 HD21 LEU 101 14.328 -32.766 26.361 1.00 71.05 ATOM 1586 HD22 LEU 101 13.713 -34.386 26.203 1.00 23.10 ATOM 1587 HD23 LEU 101 13.613 -33.261 24.848 1.00 31.11 ATOM 1588 C LEU 101 17.865 -35.739 24.663 1.00 71.21 ATOM 1589 O LEU 101 18.785 -34.924 24.591 1.00 15.31 ATOM 1590 N TYR 102 17.788 -36.661 25.616 1.00 3.35 ATOM 1591 HN TYR 102 17.024 -37.287 25.622 1.00 38.50 ATOM 1592 CA TYR 102 18.802 -36.768 26.659 1.00 62.12 ATOM 1593 HA TYR 102 18.762 -35.862 27.249 1.00 61.34 ATOM 1594 CB TYR 102 18.513 -37.970 27.559 1.00 14.04 ATOM 1595 HB1 TYR 102 18.744 -38.887 27.027 1.00 38.50 ATOM 1596 HB2 TYR 102 17.460 -37.969 27.809 1.00 54.41 ATOM 1597 CG TYR 102 19.284 -37.952 28.860 1.00 72.02 ATOM 1598 CD1 TYR 102 19.127 -36.913 29.769 1.00 40.23 ATOM 1599 HD1 TYR 102 18.437 -36.117 29.540 1.00 34.03 ATOM 1600 CD2 TYR 102 20.170 -38.973 29.179 1.00 31.41 ATOM 1601 HD2 TYR 102 20.307 -39.791 28.485 1.00 44.43 ATOM 1602 CE1 TYR 102 19.830 -36.892 30.958 1.00 41.32 ATOM 1603 HE1 TYR 102 19.710 -36.073 31.645 1.00 33.30 ATOM 1604 CE2 TYR 102 20.876 -38.961 30.366 1.00 31.34 ATOM 1605 HE2 TYR 102 21.568 -39.756 30.579 1.00 52.20 ATOM 1606 CZ TYR 102 20.703 -37.918 31.252 1.00 32.33 ATOM 1607 OH TYR 102 21.405 -37.902 32.435 1.00 4.14 ATOM 1608 HH TYR 102 22.328 -37.688 32.265 1.00 21.01 ATOM 1609 C TYR 102 20.196 -36.897 26.052 1.00 71.42 ATOM 1610 O TYR 102 21.108 -36.148 26.400 1.00 32.02 ATOM 1611 N GLN 103 20.351 -37.853 25.141 1.00 24.35 ATOM 1612 HN GLN 103 19.578 -38.415 24.894 1.00 38.50 ATOM 1613 CA GLN 103 21.633 -38.082 24.485 1.00 4.54 ATOM 1614 HA GLN 103 22.416 -38.023 25.232 1.00 5.34 ATOM 1615 CB GLN 103 21.664 -39.472 23.849 1.00 22.32 ATOM 1616 HB1 GLN 103 22.575 -39.583 23.272 1.00 38.50 ATOM 1617 HB2 GLN 103 20.825 -39.566 23.190 1.00 73.13 ATOM 1618 CG GLN 103 21.602 -40.605 24.861 1.00 71.54 ATOM 1619 HG1 GLN 103 21.463 -41.534 24.327 1.00 38.50 ATOM 1620 HG2 GLN 103 20.757 -40.443 25.517 1.00 40.53 ATOM 1621 CD GLN 103 22.863 -40.713 25.695 1.00 11.32 ATOM 1622 OE1 GLN 103 23.966 -40.461 25.209 1.00 20.14 ATOM 1623 NE2 GLN 103 22.706 -41.088 26.959 1.00 3.24 ATOM 1624 HE21 GLN 103 21.800 -41.276 27.294 1.00 65.15 ATOM 1625 HE22 GLN 103 23.510 -41.164 27.515 1.00 23.12 ATOM 1626 C GLN 103 21.899 -37.018 23.425 1.00 60.32 ATOM 1627 O GLN 103 23.037 -36.822 23.000 1.00 53.32 ATOM 1628 N GLY 104 20.840 -36.335 23.001 1.00 43.42 ATOM 1629 HN GLY 104 19.949 -36.551 23.322 1.00 38.50 ATOM 1630 CA GLY 104 20.980 -35.300 21.993 1.00 44.12 ATOM 1631 HA1 GLY 104 21.759 -34.609 22.290 1.00 38.50 ATOM 1632 HA2 GLY 104 20.047 -34.760 21.922 1.00 4.42 ATOM 1633 C GLY 104 21.318 -35.863 20.627 1.00 61.43 ATOM 1634 O GLY 104 22.002 -35.217 19.834 1.00 3.32 ATOM 1635 N GLN 105 20.839 -37.072 20.352 1.00 74.12 ATOM 1636 HN GLN 105 20.254 -37.521 21.005 1.00 38.50 ATOM 1637 CA GLN 105 21.096 -37.723 19.073 1.00 42.24 ATOM 1638 HA GLN 105 22.153 -37.639 18.854 1.00 32.13 ATOM 1639 CB GLN 105 20.730 -39.206 19.148 1.00 21.11 ATOM 1640 HB1 GLN 105 21.131 -39.699 18.272 1.00 38.50 ATOM 1641 HB2 GLN 105 19.651 -39.308 19.146 1.00 75.11 ATOM 1642 CG GLN 105 21.260 -39.901 20.392 1.00 42.01 ATOM 1643 HG1 GLN 105 20.529 -39.782 21.174 1.00 38.50 ATOM 1644 HG2 GLN 105 22.191 -39.441 20.700 1.00 70.40 ATOM 1645 CD GLN 105 21.490 -41.384 20.179 1.00 74.32 ATOM 1646 OE1 GLN 105 20.545 -42.174 20.163 1.00 22.34 ATOM 1647 NE2 GLN 105 22.749 -41.771 20.013 1.00 40.14 ATOM 1648 HE21 GLN 105 23.466 -41.097 20.034 1.00 2.11 ATOM 1649 HE22 GLN 105 22.917 -42.726 19.874 1.00 42.22 ATOM 1650 C GLN 105 20.311 -37.050 17.952 1.00 42.44 ATOM 1651 O GLN 105 20.881 -36.640 16.941 1.00 1.23 ATOM 1652 N ASN 106 19.000 -36.939 18.138 1.00 72.54 ATOM 1653 HN ASN 106 18.592 -37.288 18.964 1.00 38.50 ATOM 1654 CA ASN 106 18.136 -36.317 17.141 1.00 2.41 ATOM 1655 HA ASN 106 18.750 -35.883 16.358 1.00 43.42 ATOM 1656 CB ASN 106 17.201 -37.358 16.524 1.00 33.30 ATOM 1657 HB1 ASN 106 16.310 -36.872 16.156 1.00 38.50 ATOM 1658 HB2 ASN 106 16.922 -38.075 17.272 1.00 3.13 ATOM 1659 CG ASN 106 17.838 -38.089 15.358 1.00 53.45 ATOM 1660 OD1 ASN 106 18.739 -37.567 14.702 1.00 43.53 ATOM 1661 ND2 ASN 106 17.370 -39.303 15.094 1.00 61.14 ATOM 1662 HD21 ASN 106 16.647 -39.670 15.652 1.00 24.31 ATOM 1663 HD22 ASN 106 17.769 -39.792 14.344 1.00 4.12 ATOM 1664 C ASN 106 17.319 -35.186 17.759 1.00 23.15 ATOM 1665 O ASN 106 16.248 -35.415 18.320 1.00 35.15 ATOM 1666 N PHE 107 17.833 -33.965 17.652 1.00 21.24 ATOM 1667 HN PHE 107 18.692 -33.842 17.181 1.00 38.50 ATOM 1668 CA PHE 107 17.152 -32.798 18.201 1.00 20.41 ATOM 1669 HA PHE 107 16.801 -33.046 19.195 1.00 22.32 ATOM 1670 CB PHE 107 18.120 -31.617 18.302 1.00 35.30 ATOM 1671 HB1 PHE 107 18.472 -31.361 17.310 1.00 38.50 ATOM 1672 HB2 PHE 107 18.965 -31.913 18.908 1.00 34.03 ATOM 1673 CG PHE 107 17.512 -30.397 18.933 1.00 24.34 ATOM 1674 CD1 PHE 107 16.908 -30.473 20.178 1.00 51.02 ATOM 1675 HD1 PHE 107 16.874 -31.420 20.699 1.00 42.11 ATOM 1676 CD2 PHE 107 17.546 -29.175 18.282 1.00 14.32 ATOM 1677 HD2 PHE 107 18.014 -29.100 17.310 1.00 12.44 ATOM 1678 CE1 PHE 107 16.348 -29.352 20.762 1.00 65.01 ATOM 1679 HE1 PHE 107 15.880 -29.424 21.733 1.00 31.51 ATOM 1680 CE2 PHE 107 16.988 -28.050 18.861 1.00 24.45 ATOM 1681 HE2 PHE 107 17.016 -27.107 18.340 1.00 63.45 ATOM 1682 CZ PHE 107 16.388 -28.139 20.102 1.00 30.42 ATOM 1683 HZ PHE 107 15.945 -27.271 20.542 1.00 62.41 ATOM 1684 C PHE 107 15.952 -32.415 17.341 1.00 55.22 ATOM 1685 O PHE 107 14.993 -31.815 17.826 1.00 63.11 ATOM 1686 N ASN 108 16.013 -32.765 16.060 1.00 34.53 ATOM 1687 HN ASN 108 16.829 -33.192 15.716 1.00 38.50 ATOM 1688 CA ASN 108 14.932 -32.457 15.131 1.00 34.40 ATOM 1689 HA ASN 108 14.888 -31.384 15.015 1.00 44.30 ATOM 1690 CB ASN 108 15.208 -33.092 13.767 1.00 74.25 ATOM 1691 HB1 ASN 108 16.014 -32.550 13.293 1.00 38.50 ATOM 1692 HB2 ASN 108 14.326 -33.021 13.141 1.00 22.52 ATOM 1693 CG ASN 108 15.623 -34.546 13.879 1.00 62.32 ATOM 1694 OD1 ASN 108 16.763 -34.852 14.228 1.00 65.31 ATOM 1695 ND2 ASN 108 14.697 -35.451 13.582 1.00 3.31 ATOM 1696 HD21 ASN 108 13.801 -35.150 13.308 1.00 2.12 ATOM 1697 HD22 ASN 108 14.947 -36.396 13.648 1.00 71.21 ATOM 1698 C ASN 108 13.593 -32.949 15.672 1.00 74.41 ATOM 1699 O ASN 108 12.624 -32.193 15.745 1.00 73.24 ATOM 1700 N LYS 109 13.546 -34.222 16.051 1.00 34.01 ATOM 1701 HN LYS 109 14.371 -34.746 16.053 1.00 38.50 ATOM 1702 CA LYS 109 12.327 -34.817 16.588 1.00 41.55 ATOM 1703 HA LYS 109 11.559 -34.751 15.830 1.00 62.00 ATOM 1704 CB LYS 109 12.561 -36.291 16.926 1.00 14.52 ATOM 1705 HB1 LYS 109 11.603 -36.746 17.142 1.00 38.50 ATOM 1706 HB2 LYS 109 13.190 -36.358 17.806 1.00 42.13 ATOM 1707 CG LYS 109 13.234 -37.072 15.811 1.00 11.41 ATOM 1708 HG1 LYS 109 14.279 -36.823 15.785 1.00 38.50 ATOM 1709 HG2 LYS 109 12.778 -36.809 14.866 1.00 2.11 ATOM 1710 CD LYS 109 13.087 -38.570 16.013 1.00 72.54 ATOM 1711 HD1 LYS 109 13.555 -39.080 15.184 1.00 38.50 ATOM 1712 HD2 LYS 109 12.037 -38.823 16.045 1.00 5.24 ATOM 1713 CE LYS 109 13.745 -39.026 17.306 1.00 74.30 ATOM 1714 HE1 LYS 109 13.259 -38.546 18.143 1.00 38.50 ATOM 1715 HE2 LYS 109 14.789 -38.746 17.288 1.00 45.12 ATOM 1716 NZ LYS 109 13.649 -40.501 17.487 1.00 34.24 ATOM 1717 HZ1 LYS 109 13.460 -40.724 18.485 1.00 31.12 ATOM 1718 HZ2 LYS 109 14.544 -40.952 17.211 1.00 52.10 ATOM 1719 HZ3 LYS 109 12.880 -40.905 16.908 1.00 65.13 ATOM 1720 C LYS 109 11.857 -34.067 17.830 1.00 42.20 ATOM 1721 O LYS 109 10.658 -33.889 18.043 1.00 12.33 ATOM 1722 N VAL 110 12.810 -33.628 18.647 1.00 51.04 ATOM 1723 HN VAL 110 13.751 -33.775 18.408 1.00 38.50 ATOM 1724 CA VAL 110 12.493 -32.895 19.866 1.00 3.15 ATOM 1725 HA VAL 110 11.795 -33.490 20.445 1.00 2.21 ATOM 1726 CB VAL 110 13.752 -32.659 20.722 1.00 20.23 ATOM 1727 HB VAL 110 14.409 -31.978 20.198 1.00 34.22 ATOM 1728 CG1 VAL 110 13.381 -32.025 22.054 1.00 3.21 ATOM 1729 HG11 VAL 110 14.273 -31.855 22.632 1.00 14.14 ATOM 1730 HG12 VAL 110 12.722 -32.683 22.601 1.00 11.40 ATOM 1731 HG13 VAL 110 12.886 -31.079 21.891 1.00 20.12 ATOM 1732 CG2 VAL 110 14.503 -33.965 20.935 1.00 43.30 ATOM 1733 HG21 VAL 110 13.834 -34.718 21.312 1.00 3.23 ATOM 1734 HG22 VAL 110 15.306 -33.814 21.645 1.00 14.33 ATOM 1735 HG23 VAL 110 14.922 -34.296 20.003 1.00 43.11 ATOM 1736 C VAL 110 11.849 -31.550 19.548 1.00 24.21 ATOM 1737 O VAL 110 10.787 -31.218 20.075 1.00 10.44 ATOM 1738 N LEU 111 12.499 -30.780 18.682 1.00 34.00 ATOM 1739 HN LEU 111 13.346 -31.104 18.293 1.00 38.50 ATOM 1740 CA LEU 111 11.989 -29.470 18.292 1.00 42.13 ATOM 1741 HA LEU 111 11.942 -28.856 19.182 1.00 72.04 ATOM 1742 CB LEU 111 12.929 -28.817 17.276 1.00 30.34 ATOM 1743 HB1 LEU 111 12.625 -29.126 16.281 1.00 38.50 ATOM 1744 HB2 LEU 111 13.931 -29.198 17.443 1.00 31.20 ATOM 1745 CG LEU 111 12.994 -27.290 17.307 1.00 1.12 ATOM 1746 HG LEU 111 11.992 -26.891 17.392 1.00 42.20 ATOM 1747 CD1 LEU 111 13.790 -26.814 18.512 1.00 0.24 ATOM 1748 HD11 LEU 111 14.831 -26.721 18.258 1.00 41.12 ATOM 1749 HD12 LEU 111 13.684 -27.509 19.335 1.00 72.40 ATOM 1750 HD13 LEU 111 13.416 -25.852 18.820 1.00 63.41 ATOM 1751 CD2 LEU 111 13.603 -26.756 16.019 1.00 61.02 ATOM 1752 HD21 LEU 111 13.009 -27.080 15.176 1.00 44.35 ATOM 1753 HD22 LEU 111 14.613 -27.128 15.910 1.00 45.24 ATOM 1754 HD23 LEU 111 13.620 -25.675 16.047 1.00 20.10 ATOM 1755 C LEU 111 10.587 -29.584 17.703 1.00 34.23 ATOM 1756 O LEU 111 9.665 -28.888 18.130 1.00 62.14 ATOM 1757 N SER 112 10.432 -30.468 16.723 1.00 71.31 ATOM 1758 HN SER 112 11.211 -30.996 16.424 1.00 38.50 ATOM 1759 CA SER 112 9.142 -30.673 16.075 1.00 72.03 ATOM 1760 HA SER 112 8.897 -29.773 15.530 1.00 11.03 ATOM 1761 CB SER 112 9.221 -31.843 15.092 1.00 32.24 ATOM 1762 HB1 SER 112 8.983 -32.774 15.591 1.00 38.50 ATOM 1763 HB2 SER 112 10.222 -31.906 14.687 1.00 53.55 ATOM 1764 OG SER 112 8.323 -31.663 14.011 1.00 12.12 ATOM 1765 HG SER 112 8.491 -32.329 13.340 1.00 40.13 ATOM 1766 C SER 112 8.050 -30.934 17.108 1.00 61.41 ATOM 1767 O SER 112 6.962 -30.364 17.035 1.00 75.43 ATOM 1768 N SER 113 8.350 -31.801 18.070 1.00 2.33 ATOM 1769 HN SER 113 9.236 -32.237 18.071 1.00 38.50 ATOM 1770 CA SER 113 7.394 -32.142 19.117 1.00 0.32 ATOM 1771 HA SER 113 6.569 -32.667 18.657 1.00 44.11 ATOM 1772 CB SER 113 8.047 -33.056 20.156 1.00 41.23 ATOM 1773 HB1 SER 113 9.097 -32.834 20.240 1.00 38.50 ATOM 1774 HB2 SER 113 7.923 -34.079 19.842 1.00 11.41 ATOM 1775 OG SER 113 7.439 -32.901 21.426 1.00 15.10 ATOM 1776 HG SER 113 7.930 -32.259 21.947 1.00 45.03 ATOM 1777 C SER 113 6.859 -30.884 19.795 1.00 40.10 ATOM 1778 O SER 113 5.682 -30.808 20.149 1.00 55.14 ATOM 1779 N LEU 114 7.732 -29.899 19.973 1.00 2.21 ATOM 1780 HN LEU 114 8.665 -30.012 19.674 1.00 38.50 ATOM 1781 CA LEU 114 7.349 -28.643 20.609 1.00 43.44 ATOM 1782 HA LEU 114 6.678 -28.862 21.430 1.00 65.52 ATOM 1783 CB LEU 114 8.585 -27.931 21.162 1.00 0.02 ATOM 1784 HB1 LEU 114 8.256 -27.072 21.722 1.00 38.50 ATOM 1785 HB2 LEU 114 9.178 -27.583 20.324 1.00 3.52 ATOM 1786 CG LEU 114 9.497 -28.769 22.059 1.00 61.35 ATOM 1787 HG LEU 114 9.945 -29.548 21.473 1.00 31.22 ATOM 1788 CD1 LEU 114 10.616 -27.913 22.631 1.00 31.24 ATOM 1789 HD11 LEU 114 11.239 -27.549 21.828 1.00 43.25 ATOM 1790 HD12 LEU 114 11.209 -28.507 23.301 1.00 75.32 ATOM 1791 HD13 LEU 114 10.197 -27.075 23.171 1.00 13.55 ATOM 1792 CD2 LEU 114 8.695 -29.420 23.176 1.00 10.32 ATOM 1793 HD21 LEU 114 7.972 -30.105 22.758 1.00 35.45 ATOM 1794 HD22 LEU 114 8.182 -28.660 23.748 1.00 30.33 ATOM 1795 HD23 LEU 114 9.362 -29.968 23.830 1.00 54.34 ATOM 1796 C LEU 114 6.623 -27.733 19.623 1.00 44.22 ATOM 1797 O LEU 114 5.558 -27.195 19.926 1.00 24.04 ATOM 1798 N VAL 115 7.206 -27.566 18.440 1.00 60.34 ATOM 1799 HN VAL 115 8.045 -28.041 18.254 1.00 38.50 ATOM 1800 CA VAL 115 6.613 -26.724 17.407 1.00 23.43 ATOM 1801 HA VAL 115 6.634 -25.700 17.758 1.00 11.13 ATOM 1802 CB VAL 115 7.409 -26.806 16.091 1.00 71.30 ATOM 1803 HB VAL 115 7.403 -27.832 15.749 1.00 51.34 ATOM 1804 CG1 VAL 115 6.759 -25.945 15.019 1.00 14.23 ATOM 1805 HG11 VAL 115 7.404 -25.897 14.150 1.00 22.01 ATOM 1806 HG12 VAL 115 6.599 -24.944 15.397 1.00 14.54 ATOM 1807 HG13 VAL 115 5.813 -26.374 14.725 1.00 52.24 ATOM 1808 CG2 VAL 115 8.855 -26.391 16.316 1.00 12.41 ATOM 1809 HG21 VAL 115 9.313 -27.007 17.058 1.00 61.24 ATOM 1810 HG22 VAL 115 8.889 -25.361 16.643 1.00 74.22 ATOM 1811 HG23 VAL 115 9.404 -26.487 15.389 1.00 12.42 ATOM 1812 C VAL 115 5.166 -27.121 17.139 1.00 52.21 ATOM 1813 O VAL 115 4.341 -26.287 16.763 1.00 30.11 ATOM 1814 N THR 116 4.862 -28.400 17.335 1.00 62.21 ATOM 1815 HN THR 116 5.562 -29.040 17.595 1.00 38.50 ATOM 1816 CA THR 116 3.514 -28.908 17.114 1.00 63.43 ATOM 1817 HA THR 116 3.125 -28.466 16.203 1.00 55.52 ATOM 1818 CB THR 116 3.513 -30.439 16.938 1.00 14.33 ATOM 1819 HB THR 116 3.913 -30.893 17.835 1.00 25.20 ATOM 1820 OG1 THR 116 4.337 -30.805 15.826 1.00 34.30 ATOM 1821 HG1 THR 116 5.259 -30.807 16.095 1.00 32.22 ATOM 1822 CG2 THR 116 2.099 -30.957 16.721 1.00 11.02 ATOM 1823 HG21 THR 116 1.522 -30.848 17.626 1.00 41.30 ATOM 1824 HG22 THR 116 2.142 -32.002 16.452 1.00 35.13 ATOM 1825 HG23 THR 116 1.624 -30.404 15.921 1.00 42.13 ATOM 1826 C THR 116 2.591 -28.540 18.269 1.00 1.34 ATOM 1827 O THR 116 1.497 -28.015 18.060 1.00 13.21 ATOM 1828 N LEU 117 3.039 -28.817 19.489 1.00 15.31 ATOM 1829 HN LEU 117 3.923 -29.246 19.593 1.00 38.50 ATOM 1830 CA LEU 117 2.252 -28.513 20.680 1.00 62.12 ATOM 1831 HA LEU 117 1.391 -29.150 20.677 1.00 72.44 ATOM 1832 CB LEU 117 3.068 -28.802 21.941 1.00 0.31 ATOM 1833 HB1 LEU 117 4.020 -28.300 21.843 1.00 38.50 ATOM 1834 HB2 LEU 117 3.249 -29.868 21.978 1.00 41.24 ATOM 1835 CG LEU 117 2.432 -28.374 23.264 1.00 1.13 ATOM 1836 HG LEU 117 2.320 -27.300 23.281 1.00 32.12 ATOM 1837 CD1 LEU 117 1.049 -28.988 23.415 1.00 50.10 ATOM 1838 HD11 LEU 117 1.106 -30.058 23.259 1.00 3.00 ATOM 1839 HD12 LEU 117 0.377 -28.560 22.692 1.00 34.04 ATOM 1840 HD13 LEU 117 0.670 -28.799 24.407 1.00 33.11 ATOM 1841 CD2 LEU 117 3.322 -28.766 24.435 1.00 50.41 ATOM 1842 HD21 LEU 117 3.322 -29.834 24.551 1.00 71.51 ATOM 1843 HD22 LEU 117 2.948 -28.310 25.334 1.00 64.05 ATOM 1844 HD23 LEU 117 4.327 -28.436 24.253 1.00 64.13 ATOM 1845 C LEU 117 1.798 -27.057 20.676 1.00 44.21 ATOM 1846 O LEU 117 0.742 -26.724 21.210 1.00 35.45 ATOM 1847 N ASN 118 2.604 -26.193 20.067 1.00 5.24 ATOM 1848 HN ASN 118 3.460 -26.499 19.690 1.00 38.50 ATOM 1849 CA ASN 118 2.285 -24.772 19.992 1.00 11.12 ATOM 1850 HA ASN 118 1.911 -24.453 20.957 1.00 0.13 ATOM 1851 CB ASN 118 3.541 -23.962 19.665 1.00 40.03 ATOM 1852 HB1 ASN 118 4.031 -24.405 18.810 1.00 38.50 ATOM 1853 HB2 ASN 118 4.211 -23.987 20.506 1.00 64.23 ATOM 1854 CG ASN 118 3.227 -22.515 19.336 1.00 32.22 ATOM 1855 OD1 ASN 118 3.262 -22.109 18.175 1.00 71.15 ATOM 1856 ND2 ASN 118 2.918 -21.730 20.361 1.00 13.42 ATOM 1857 HD21 ASN 118 2.881 -22.113 21.235 1.00 53.35 ATOM 1858 HD22 ASN 118 2.739 -20.784 20.178 1.00 5.12 ATOM 1859 C ASN 118 1.210 -24.511 18.942 1.00 53.13 ATOM 1860 O ASN 118 0.315 -23.690 19.144 1.00 52.24 ATOM 1861 N LYS 119 1.304 -25.216 17.819 1.00 14.23 ATOM 1862 HN LYS 119 2.047 -25.855 17.706 1.00 38.50 ATOM 1863 CA LYS 119 0.339 -25.063 16.737 1.00 60.34 ATOM 1864 HA LYS 119 0.206 -24.004 16.544 1.00 45.43 ATOM 1865 CB LYS 119 0.857 -25.740 15.466 1.00 72.34 ATOM 1866 HB1 LYS 119 0.034 -25.886 14.776 1.00 38.50 ATOM 1867 HB2 LYS 119 1.258 -26.709 15.734 1.00 41.41 ATOM 1868 CG LYS 119 1.927 -24.941 14.743 1.00 4.44 ATOM 1869 HG1 LYS 119 2.493 -24.363 15.464 1.00 38.50 ATOM 1870 HG2 LYS 119 1.454 -24.268 14.045 1.00 74.11 ATOM 1871 CD LYS 119 2.890 -25.847 13.995 1.00 44.31 ATOM 1872 HD1 LYS 119 3.329 -26.551 14.682 1.00 38.50 ATOM 1873 HD2 LYS 119 3.667 -25.243 13.553 1.00 72.44 ATOM 1874 CE LYS 119 2.185 -26.620 12.892 1.00 74.32 ATOM 1875 HE1 LYS 119 1.347 -27.165 13.301 1.00 38.50 ATOM 1876 HE2 LYS 119 2.888 -27.323 12.469 1.00 54.31 ATOM 1877 NZ LYS 119 1.703 -25.723 11.805 1.00 3.34 ATOM 1878 HZ1 LYS 119 1.325 -26.292 11.021 1.00 65.41 ATOM 1879 HZ2 LYS 119 2.482 -25.135 11.442 1.00 61.04 ATOM 1880 HZ3 LYS 119 0.948 -25.102 12.157 1.00 2.32 ATOM 1881 C LYS 119 -1.013 -25.654 17.125 1.00 2.40 ATOM 1882 O LYS 119 -2.042 -24.984 17.038 1.00 51.12 ATOM 1883 N VAL 120 -1.003 -26.911 17.556 1.00 63.25 ATOM 1884 HN VAL 120 -0.146 -27.390 17.601 1.00 38.50 ATOM 1885 CA VAL 120 -2.228 -27.591 17.960 1.00 4.30 ATOM 1886 HA VAL 120 -2.842 -27.728 17.079 1.00 62.44 ATOM 1887 CB VAL 120 -1.928 -28.974 18.567 1.00 61.34 ATOM 1888 HB VAL 120 -2.862 -29.434 18.861 1.00 75.41 ATOM 1889 CG1 VAL 120 -1.269 -29.878 17.536 1.00 73.23 ATOM 1890 HG11 VAL 120 -0.323 -29.462 17.229 1.00 42.03 ATOM 1891 HG12 VAL 120 -1.914 -29.973 16.673 1.00 33.15 ATOM 1892 HG13 VAL 120 -1.107 -30.857 17.966 1.00 64.00 ATOM 1893 CG2 VAL 120 -1.052 -28.835 19.803 1.00 73.32 ATOM 1894 HG21 VAL 120 -1.626 -28.401 20.608 1.00 31.11 ATOM 1895 HG22 VAL 120 -0.226 -28.208 19.584 1.00 3.31 ATOM 1896 HG23 VAL 120 -0.691 -29.805 20.112 1.00 31.24 ATOM 1897 C VAL 120 -3.007 -26.761 18.974 1.00 21.24 ATOM 1898 O VAL 120 -4.235 -26.824 19.033 1.00 34.40 ATOM 1899 N THR 121 -2.285 -25.982 19.773 1.00 4.32 ATOM 1900 HN THR 121 -1.303 -25.991 19.719 1.00 38.50 ATOM 1901 CA THR 121 -2.907 -25.139 20.786 1.00 34.34 ATOM 1902 HA THR 121 -3.831 -25.598 21.102 1.00 4.15 ATOM 1903 CB THR 121 -2.002 -24.985 22.023 1.00 42.01 ATOM 1904 HB THR 121 -2.430 -24.243 22.687 1.00 61.30 ATOM 1905 OG1 THR 121 -0.696 -24.554 21.623 1.00 20.50 ATOM 1906 HG1 THR 121 -0.701 -23.605 21.476 1.00 4.03 ATOM 1907 CG2 THR 121 -1.897 -26.298 22.784 1.00 15.35 ATOM 1908 HG21 THR 121 -2.428 -27.087 22.264 1.00 71.44 ATOM 1909 HG22 THR 121 -2.328 -26.173 23.766 1.00 23.34 ATOM 1910 HG23 THR 121 -0.866 -26.579 22.889 1.00 33.23 ATOM 1911 C THR 121 -3.229 -23.757 20.230 1.00 1.13 ATOM 1912 O THR 121 -4.131 -23.076 20.717 1.00 22.03 ATOM 1913 N ALA 122 -2.486 -23.348 19.207 1.00 24.32 ATOM 1914 HN ALA 122 -1.750 -23.905 18.890 1.00 38.50 ATOM 1915 CA ALA 122 -2.694 -22.048 18.583 1.00 1.41 ATOM 1916 HA ALA 122 -2.616 -21.287 19.349 1.00 64.20 ATOM 1917 CB ALA 122 -1.612 -21.780 17.547 1.00 10.23 ATOM 1918 HB1 ALA 122 -0.648 -21.765 18.030 1.00 12.13 ATOM 1919 HB2 ALA 122 -1.787 -20.822 17.075 1.00 40.15 ATOM 1920 HB3 ALA 122 -1.627 -22.557 16.798 1.00 12.51 ATOM 1921 C ALA 122 -4.075 -21.961 17.943 1.00 51.23 ATOM 1922 O ALA 122 -4.674 -20.887 17.880 1.00 74.20 ATOM 1923 N ASP 123 -4.574 -23.097 17.468 1.00 13.31 ATOM 1924 HN ASP 123 -4.049 -23.928 17.534 1.00 38.50 ATOM 1925 CA ASP 123 -5.886 -23.149 16.832 1.00 3.04 ATOM 1926 HA ASP 123 -5.966 -22.302 16.158 1.00 12.33 ATOM 1927 CB ASP 123 -6.036 -24.442 16.029 1.00 3.12 ATOM 1928 HB1 ASP 123 -6.288 -25.262 16.690 1.00 38.50 ATOM 1929 HB2 ASP 123 -5.097 -24.664 15.541 1.00 54.23 ATOM 1930 CG ASP 123 -7.107 -24.339 14.961 1.00 23.12 ATOM 1931 OD1 ASP 123 -8.303 -24.331 15.319 1.00 13.22 ATOM 1932 OD2 ASP 123 -6.748 -24.266 13.767 1.00 33.13 ATOM 1933 C ASP 123 -6.998 -23.049 17.872 1.00 62.41 ATOM 1934 O ASP 123 -8.087 -22.553 17.584 1.00 73.02 ATOM 1935 N ILE 124 -6.716 -23.525 19.080 1.00 62.20 ATOM 1936 HN ILE 124 -5.823 -23.892 19.257 1.00 38.50 ATOM 1937 CA ILE 124 -7.692 -23.490 20.162 1.00 52.54 ATOM 1938 HA ILE 124 -8.568 -24.044 19.843 1.00 43.52 ATOM 1939 CB ILE 124 -7.141 -24.149 21.439 1.00 32.54 ATOM 1940 HB ILE 124 -6.290 -23.578 21.781 1.00 13.03 ATOM 1941 CG1 ILE 124 -6.693 -25.583 21.147 1.00 53.02 ATOM 1942 HG11 ILE 124 -5.958 -25.585 20.358 1.00 38.50 ATOM 1943 HG12 ILE 124 -7.545 -26.169 20.834 1.00 62.41 ATOM 1944 CG2 ILE 124 -8.191 -24.131 22.540 1.00 33.11 ATOM 1945 HG21 ILE 124 -7.802 -24.603 23.430 1.00 33.22 ATOM 1946 HG22 ILE 124 -9.072 -24.663 22.213 1.00 33.41 ATOM 1947 HG23 ILE 124 -8.459 -23.114 22.782 1.00 33.25 ATOM 1948 CD1 ILE 124 -6.072 -26.277 22.338 1.00 5.14 ATOM 1949 HD11 ILE 124 -6.835 -26.492 23.071 1.00 2.50 ATOM 1950 HD12 ILE 124 -5.315 -25.642 22.779 1.00 31.31 ATOM 1951 HD13 ILE 124 -5.618 -27.202 22.015 1.00 50.04 ATOM 1952 C ILE 124 -8.107 -22.057 20.481 1.00 62.21 ATOM 1953 O ILE 124 -9.253 -21.798 20.845 1.00 22.25 ATOM 1954 N GLY 125 -7.165 -21.129 20.339 1.00 15.34 ATOM 1955 HN GLY 125 -6.256 -21.378 20.063 1.00 38.50 ATOM 1956 CA GLY 125 -7.453 -19.733 20.615 1.00 23.20 ATOM 1957 HA1 GLY 125 -8.328 -19.428 20.055 1.00 38.50 ATOM 1958 HA2 GLY 125 -6.611 -19.137 20.293 1.00 21.41 ATOM 1959 C GLY 125 -7.697 -19.471 22.088 1.00 70.50 ATOM 1960 O GLY 125 -8.796 -19.079 22.483 1.00 60.43 ATOM 1961 N LEU 126 -6.672 -19.690 22.904 1.00 43.21 ATOM 1962 HN LEU 126 -5.816 -20.007 22.527 1.00 38.50 ATOM 1963 HA LEU 126 -7.499 -20.183 24.731 1.00 11.42 ATOM 1964 CB LEU 126 -5.429 -19.720 25.018 1.00 72.12 ATOM 1965 HB1 LEU 126 -5.495 -19.406 26.055 1.00 38.50 ATOM 1966 HB2 LEU 126 -4.703 -19.088 24.522 1.00 35.01 ATOM 1967 CG LEU 126 -4.914 -21.159 24.988 1.00 21.41 ATOM 1968 HG LEU 126 -4.967 -21.533 23.976 1.00 1.40 ATOM 1969 CD1 LEU 126 -3.460 -21.215 25.431 1.00 32.24 ATOM 1970 HD11 LEU 126 -3.373 -20.854 26.447 1.00 5.51 ATOM 1971 HD12 LEU 126 -2.858 -20.598 24.778 1.00 25.22 ATOM 1972 HD13 LEU 126 -3.104 -22.235 25.381 1.00 54.45 ATOM 1973 CD2 LEU 126 -5.776 -22.053 25.868 1.00 53.12 ATOM 1974 HD21 LEU 126 -5.394 -23.064 25.843 1.00 21.51 ATOM 1975 HD22 LEU 126 -6.792 -22.052 25.504 1.00 73.41 ATOM 1976 HD23 LEU 126 -5.759 -21.690 26.887 1.00 14.15 ATOM 1977 CA LEU 126 -6.780 -19.477 24.343 1.00 52.51 ATOM 1978 C LEU 126 -7.267 -18.064 24.649 1.00 40.31 ATOM 1979 OT1 LEU 126 -6.628 -17.098 24.176 1.00 38.50 ATOM 1980 OT2 LEU 126 -8.286 -17.931 25.361 1.00 38.50 ATOM 1981 OH2 TIP3 1 -3.446 -44.258 12.985 0.00 0.00 WAT1 ATOM 1982 H1 TIP3 1 -3.306 -44.849 12.246 0.00 0.00 WAT1 ATOM 1983 H2 TIP3 1 -3.278 -43.385 12.629 0.00 0.00 WAT1 ATOM 1984 OH2 TIP3 2 -3.739 -50.084 15.042 0.00 0.00 WAT1 ATOM 1985 H1 TIP3 2 -4.146 -49.603 14.322 0.00 0.00 WAT1 ATOM 1986 H2 TIP3 2 -3.698 -50.989 14.735 0.00 0.00 WAT1 ATOM 1987 OH2 TIP3 3 -7.041 -42.581 13.301 0.00 0.00 WAT1 ATOM 1988 H1 TIP3 3 -7.942 -42.398 13.033 0.00 0.00 WAT1 ATOM 1989 H2 TIP3 3 -7.007 -42.322 14.222 0.00 0.00 WAT1 ATOM 1990 OH2 TIP3 4 -1.346 -44.536 14.505 0.00 0.00 WAT1 ATOM 1991 H1 TIP3 4 -2.198 -44.298 14.138 0.00 0.00 WAT1 ATOM 1992 H2 TIP3 4 -0.756 -44.553 13.752 0.00 0.00 WAT1 ATOM 1993 OH2 TIP3 5 -5.166 -39.951 13.349 0.00 0.00 WAT1 ATOM 1994 H1 TIP3 5 -5.768 -40.506 12.854 0.00 0.00 WAT1 ATOM 1995 H2 TIP3 5 -4.885 -39.284 12.723 0.00 0.00 WAT1 ATOM 1996 OH2 TIP3 6 -7.008 -41.727 15.893 0.00 0.00 WAT1 ATOM 1997 H1 TIP3 6 -7.359 -42.583 16.136 0.00 0.00 WAT1 ATOM 1998 H2 TIP3 6 -6.282 -41.584 16.500 0.00 0.00 WAT1 ATOM 1999 OH2 TIP3 7 -5.885 -45.330 13.314 0.00 0.00 WAT1 ATOM 2000 H1 TIP3 7 -5.140 -44.742 13.194 0.00 0.00 WAT1 ATOM 2001 H2 TIP3 7 -6.642 -44.748 13.377 0.00 0.00 WAT1 ATOM 2002 OH2 TIP3 8 -8.476 -46.536 16.570 0.00 0.00 WAT1 ATOM 2003 H1 TIP3 8 -7.523 -46.452 16.542 0.00 0.00 WAT1 ATOM 2004 H2 TIP3 8 -8.636 -47.247 17.189 0.00 0.00 WAT1 ATOM 2005 OH2 TIP3 9 -6.746 -50.028 17.135 0.00 0.00 WAT1 ATOM 2006 H1 TIP3 9 -6.554 -50.959 17.024 0.00 0.00 WAT1 ATOM 2007 H2 TIP3 9 -5.889 -49.603 17.125 0.00 0.00 WAT1 ATOM 2008 OH2 TIP3 10 -5.430 -47.239 15.213 0.00 0.00 WAT1 ATOM 2009 H1 TIP3 10 -5.711 -46.530 14.635 0.00 0.00 WAT1 ATOM 2010 H2 TIP3 10 -4.487 -47.312 15.062 0.00 0.00 WAT1 ATOM 2011 OH2 TIP3 11 -1.617 -39.480 12.467 0.00 0.00 WAT1 ATOM 2012 H1 TIP3 11 -2.104 -40.215 12.096 0.00 0.00 WAT1 ATOM 2013 H2 TIP3 11 -1.068 -39.873 13.145 0.00 0.00 WAT1 ATOM 2014 OH2 TIP3 12 -3.225 -41.717 11.698 0.00 0.00 WAT1 ATOM 2015 H1 TIP3 12 -3.873 -41.392 12.323 0.00 0.00 WAT1 ATOM 2016 H2 TIP3 12 -3.743 -42.157 11.023 0.00 0.00 WAT1 ATOM 2017 OH2 TIP3 13 -2.828 -46.889 14.645 0.00 0.00 WAT1 ATOM 2018 H1 TIP3 13 -2.245 -47.623 14.836 0.00 0.00 WAT1 ATOM 2019 H2 TIP3 13 -2.264 -46.117 14.691 0.00 0.00 WAT1 ATOM 2020 OH2 TIP3 14 -1.331 -48.986 15.329 0.00 0.00 WAT1 ATOM 2021 H1 TIP3 14 -2.194 -49.365 15.164 0.00 0.00 WAT1 ATOM 2022 H2 TIP3 14 -0.727 -49.725 15.255 0.00 0.00 WAT1 ATOM 2023 OH2 TIP3 15 -9.792 -39.654 14.878 0.00 0.00 WAT1 ATOM 2024 H1 TIP3 15 -9.607 -39.988 15.756 0.00 0.00 WAT1 ATOM 2025 H2 TIP3 15 -8.945 -39.345 14.556 0.00 0.00 WAT1 ATOM 2026 OH2 TIP3 16 -7.447 -38.369 14.122 0.00 0.00 WAT1 ATOM 2027 H1 TIP3 16 -6.770 -39.001 13.882 0.00 0.00 WAT1 ATOM 2028 H2 TIP3 16 -7.125 -37.967 14.930 0.00 0.00 WAT1 ATOM 2029 OH2 TIP3 17 -4.591 -37.861 11.412 0.00 0.00 WAT1 ATOM 2030 H1 TIP3 17 -4.773 -36.945 11.201 0.00 0.00 WAT1 ATOM 2031 H2 TIP3 17 -4.415 -38.271 10.565 0.00 0.00 WAT1 ATOM 2032 OH2 TIP3 18 -5.055 -44.346 25.882 0.00 0.00 WAT1 ATOM 2033 H1 TIP3 18 -5.496 -45.066 26.332 0.00 0.00 WAT1 ATOM 2034 H2 TIP3 18 -5.068 -43.625 26.512 0.00 0.00 WAT1 ATOM 2035 OH2 TIP3 19 -7.897 -43.939 23.204 0.00 0.00 WAT1 ATOM 2036 H1 TIP3 19 -8.193 -44.261 22.353 0.00 0.00 WAT1 ATOM 2037 H2 TIP3 19 -8.221 -43.039 23.246 0.00 0.00 WAT1 ATOM 2038 OH2 TIP3 20 -4.543 -42.506 28.230 0.00 0.00 WAT1 ATOM 2039 H1 TIP3 20 -5.485 -42.448 28.391 0.00 0.00 WAT1 ATOM 2040 H2 TIP3 20 -4.267 -41.600 28.093 0.00 0.00 WAT1 ATOM 2041 OH2 TIP3 21 -3.446 -44.258 31.841 0.00 0.00 WAT1 ATOM 2042 H1 TIP3 21 -3.306 -44.849 31.102 0.00 0.00 WAT1 ATOM 2043 H2 TIP3 21 -3.278 -43.385 31.485 0.00 0.00 WAT1 ATOM 2044 OH2 TIP3 22 -8.973 -47.296 21.613 0.00 0.00 WAT1 ATOM 2045 H1 TIP3 22 -9.685 -46.761 21.262 0.00 0.00 WAT1 ATOM 2046 H2 TIP3 22 -8.282 -47.240 20.953 0.00 0.00 WAT1 ATOM 2047 OH2 TIP3 23 -1.604 -47.918 29.907 0.00 0.00 WAT1 ATOM 2048 H1 TIP3 23 -2.256 -47.223 29.996 0.00 0.00 WAT1 ATOM 2049 H2 TIP3 23 -1.139 -47.708 29.097 0.00 0.00 WAT1 ATOM 2050 OH2 TIP3 24 -5.567 -47.086 22.565 0.00 0.00 WAT1 ATOM 2051 H1 TIP3 24 -6.299 -46.858 23.138 0.00 0.00 WAT1 ATOM 2052 H2 TIP3 24 -5.120 -47.800 23.020 0.00 0.00 WAT1 ATOM 2053 OH2 TIP3 25 -7.246 -42.184 28.815 0.00 0.00 WAT1 ATOM 2054 H1 TIP3 25 -7.487 -41.522 29.463 0.00 0.00 WAT1 ATOM 2055 H2 TIP3 25 -7.444 -43.018 29.240 0.00 0.00 WAT1 ATOM 2056 OH2 TIP3 26 -6.696 -47.924 20.250 0.00 0.00 WAT1 ATOM 2057 H1 TIP3 26 -6.117 -47.774 20.997 0.00 0.00 WAT1 ATOM 2058 H2 TIP3 26 -6.282 -47.453 19.527 0.00 0.00 WAT1 ATOM 2059 OH2 TIP3 27 -8.970 -41.187 23.685 0.00 0.00 WAT1 ATOM 2060 H1 TIP3 27 -8.496 -40.892 24.463 0.00 0.00 WAT1 ATOM 2061 H2 TIP3 27 -9.533 -40.449 23.452 0.00 0.00 WAT1 ATOM 2062 OH2 TIP3 28 -0.891 -41.577 33.418 0.00 0.00 WAT1 ATOM 2063 H1 TIP3 28 -0.940 -42.532 33.381 0.00 0.00 WAT1 ATOM 2064 H2 TIP3 28 -1.717 -41.309 33.820 0.00 0.00 WAT1 ATOM 2065 OH2 TIP3 29 -9.498 -38.231 22.100 0.00 0.00 WAT1 ATOM 2066 H1 TIP3 29 -9.573 -38.352 21.154 0.00 0.00 WAT1 ATOM 2067 H2 TIP3 29 -9.465 -37.281 22.219 0.00 0.00 WAT1 ATOM 2068 OH2 TIP3 30 -5.219 -46.891 17.880 0.00 0.00 WAT1 ATOM 2069 H1 TIP3 30 -5.177 -47.114 16.950 0.00 0.00 WAT1 ATOM 2070 H2 TIP3 30 -4.370 -46.493 18.070 0.00 0.00 WAT1 ATOM 2071 OH2 TIP3 31 -3.661 -46.094 29.756 0.00 0.00 WAT1 ATOM 2072 H1 TIP3 31 -3.019 -45.637 29.213 0.00 0.00 WAT1 ATOM 2073 H2 TIP3 31 -4.491 -45.981 29.294 0.00 0.00 WAT1 ATOM 2074 OH2 TIP3 32 -8.685 -43.768 19.995 0.00 0.00 WAT1 ATOM 2075 H1 TIP3 32 -8.980 -42.942 20.377 0.00 0.00 WAT1 ATOM 2076 H2 TIP3 32 -9.388 -44.388 20.191 0.00 0.00 WAT1 ATOM 2077 OH2 TIP3 33 -7.041 -42.581 32.157 0.00 0.00 WAT1 ATOM 2078 H1 TIP3 33 -7.942 -42.398 31.889 0.00 0.00 WAT1 ATOM 2079 H2 TIP3 33 -7.007 -42.322 33.078 0.00 0.00 WAT1 ATOM 2080 OH2 TIP3 34 -1.310 -50.336 20.524 0.00 0.00 WAT1 ATOM 2081 H1 TIP3 34 -1.864 -50.732 19.852 0.00 0.00 WAT1 ATOM 2082 H2 TIP3 34 -1.209 -49.426 20.247 0.00 0.00 WAT1 ATOM 2083 OH2 TIP3 35 -1.346 -44.536 33.361 0.00 0.00 WAT1 ATOM 2084 H1 TIP3 35 -2.198 -44.298 32.994 0.00 0.00 WAT1 ATOM 2085 H2 TIP3 35 -0.756 -44.553 32.608 0.00 0.00 WAT1 ATOM 2086 OH2 TIP3 36 -5.166 -39.951 32.205 0.00 0.00 WAT1 ATOM 2087 H1 TIP3 36 -5.768 -40.506 31.710 0.00 0.00 WAT1 ATOM 2088 H2 TIP3 36 -4.885 -39.284 31.579 0.00 0.00 WAT1 ATOM 2089 OH2 TIP3 37 -9.856 -41.194 20.462 0.00 0.00 WAT1 ATOM 2090 H1 TIP3 37 -10.673 -40.697 20.515 0.00 0.00 WAT1 ATOM 2091 H2 TIP3 37 -9.327 -40.719 19.822 0.00 0.00 WAT1 ATOM 2092 OH2 TIP3 38 -9.493 -40.599 17.395 0.00 0.00 WAT1 ATOM 2093 H1 TIP3 38 -10.137 -41.230 17.717 0.00 0.00 WAT1 ATOM 2094 H2 TIP3 38 -8.731 -41.130 17.163 0.00 0.00 WAT1 ATOM 2095 OH2 TIP3 39 -7.008 -41.727 34.749 0.00 0.00 WAT1 ATOM 2096 H1 TIP3 39 -7.359 -42.583 34.992 0.00 0.00 WAT1 ATOM 2097 H2 TIP3 39 -6.282 -41.584 35.356 0.00 0.00 WAT1 ATOM 2098 OH2 TIP3 40 -8.582 -43.825 17.222 0.00 0.00 WAT1 ATOM 2099 H1 TIP3 40 -8.850 -43.645 18.123 0.00 0.00 WAT1 ATOM 2100 H2 TIP3 40 -8.788 -44.751 17.091 0.00 0.00 WAT1 ATOM 2101 OH2 TIP3 41 -11.816 -37.966 19.056 0.00 0.00 WAT1 ATOM 2102 H1 TIP3 41 -10.883 -37.808 19.200 0.00 0.00 WAT1 ATOM 2103 H2 TIP3 41 -12.080 -37.291 18.431 0.00 0.00 WAT1 ATOM 2104 OH2 TIP3 42 -3.166 -43.690 35.961 0.00 0.00 WAT1 ATOM 2105 H1 TIP3 42 -4.032 -43.795 36.355 0.00 0.00 WAT1 ATOM 2106 H2 TIP3 42 -2.790 -42.931 36.408 0.00 0.00 WAT1 ATOM 2107 OH2 TIP3 43 -1.471 -47.380 23.299 0.00 0.00 WAT1 ATOM 2108 H1 TIP3 43 -2.197 -47.859 23.697 0.00 0.00 WAT1 ATOM 2109 H2 TIP3 43 -0.890 -47.174 24.031 0.00 0.00 WAT1 ATOM 2110 OH2 TIP3 44 -1.712 -44.595 28.247 0.00 0.00 WAT1 ATOM 2111 H1 TIP3 44 -0.878 -44.973 27.966 0.00 0.00 WAT1 ATOM 2112 H2 TIP3 44 -1.600 -43.652 28.128 0.00 0.00 WAT1 ATOM 2113 OH2 TIP3 45 -3.225 -41.717 30.554 0.00 0.00 WAT1 ATOM 2114 H1 TIP3 45 -3.873 -41.392 31.179 0.00 0.00 WAT1 ATOM 2115 H2 TIP3 45 -3.743 -42.157 29.879 0.00 0.00 WAT1 ATOM 2116 OH2 TIP3 46 -1.203 -47.479 19.690 0.00 0.00 WAT1 ATOM 2117 H1 TIP3 46 -1.724 -47.122 18.971 0.00 0.00 WAT1 ATOM 2118 H2 TIP3 46 -1.236 -46.804 20.368 0.00 0.00 WAT1 ATOM 2119 OH2 TIP3 47 -2.854 -50.239 18.241 0.00 0.00 WAT1 ATOM 2120 H1 TIP3 47 -2.757 -49.572 17.561 0.00 0.00 WAT1 ATOM 2121 H2 TIP3 47 -2.994 -51.055 17.759 0.00 0.00 WAT1 ATOM 2122 OH2 TIP3 48 -3.684 -48.859 23.862 0.00 0.00 WAT1 ATOM 2123 H1 TIP3 48 -3.834 -49.804 23.842 0.00 0.00 WAT1 ATOM 2124 H2 TIP3 48 -4.038 -48.578 24.706 0.00 0.00 WAT1 ATOM 2125 OH2 TIP3 49 -2.828 -46.889 33.501 0.00 0.00 WAT1 ATOM 2126 H1 TIP3 49 -2.245 -47.623 33.692 0.00 0.00 WAT1 ATOM 2127 H2 TIP3 49 -2.264 -46.117 33.547 0.00 0.00 WAT1 ATOM 2128 OH2 TIP3 50 -9.792 -39.654 33.734 0.00 0.00 WAT1 ATOM 2129 H1 TIP3 50 -9.607 -39.988 34.612 0.00 0.00 WAT1 ATOM 2130 H2 TIP3 50 -8.945 -39.345 33.412 0.00 0.00 WAT1 ATOM 2131 OH2 TIP3 51 -7.447 -38.369 32.978 0.00 0.00 WAT1 ATOM 2132 H1 TIP3 51 -6.770 -39.001 32.738 0.00 0.00 WAT1 ATOM 2133 H2 TIP3 51 -7.125 -37.967 33.786 0.00 0.00 WAT1 ATOM 2134 OH2 TIP3 52 -9.523 -38.309 29.028 0.00 0.00 WAT1 ATOM 2135 H1 TIP3 52 -9.980 -37.780 28.374 0.00 0.00 WAT1 ATOM 2136 H2 TIP3 52 -9.360 -37.706 29.753 0.00 0.00 WAT1 ATOM 2137 OH2 TIP3 53 -7.196 -39.431 29.973 0.00 0.00 WAT1 ATOM 2138 H1 TIP3 53 -8.100 -39.266 29.707 0.00 0.00 WAT1 ATOM 2139 H2 TIP3 53 -6.767 -38.578 29.907 0.00 0.00 WAT1 ATOM 2140 OH2 TIP3 54 -9.171 -38.740 19.301 0.00 0.00 WAT1 ATOM 2141 H1 TIP3 54 -8.305 -38.374 19.123 0.00 0.00 WAT1 ATOM 2142 H2 TIP3 54 -9.418 -39.180 18.488 0.00 0.00 WAT1 ATOM 2143 OH2 TIP3 55 -3.244 -40.426 34.131 0.00 0.00 WAT1 ATOM 2144 H1 TIP3 55 -4.026 -40.612 33.611 0.00 0.00 WAT1 ATOM 2145 H2 TIP3 55 -3.316 -39.497 34.348 0.00 0.00 WAT1 ATOM 2146 OH2 TIP3 56 -5.055 -44.346 44.738 0.00 0.00 WAT1 ATOM 2147 H1 TIP3 56 -5.496 -45.066 45.188 0.00 0.00 WAT1 ATOM 2148 H2 TIP3 56 -5.068 -43.625 45.368 0.00 0.00 WAT1 ATOM 2149 OH2 TIP3 57 -7.897 -43.939 42.060 0.00 0.00 WAT1 ATOM 2150 H1 TIP3 57 -8.193 -44.261 41.209 0.00 0.00 WAT1 ATOM 2151 H2 TIP3 57 -8.221 -43.039 42.102 0.00 0.00 WAT1 ATOM 2152 OH2 TIP3 58 -6.291 -40.725 43.711 0.00 0.00 WAT1 ATOM 2153 H1 TIP3 58 -5.866 -41.432 43.226 0.00 0.00 WAT1 ATOM 2154 H2 TIP3 58 -5.974 -39.924 43.294 0.00 0.00 WAT1 ATOM 2155 OH2 TIP3 59 -5.132 -42.824 42.220 0.00 0.00 WAT1 ATOM 2156 H1 TIP3 59 -5.389 -43.514 41.608 0.00 0.00 WAT1 ATOM 2157 H2 TIP3 59 -5.061 -43.267 43.065 0.00 0.00 WAT1 ATOM 2158 OH2 TIP3 60 -5.567 -47.086 41.421 0.00 0.00 WAT1 ATOM 2159 H1 TIP3 60 -6.299 -46.858 41.994 0.00 0.00 WAT1 ATOM 2160 H2 TIP3 60 -5.120 -47.800 41.876 0.00 0.00 WAT1 ATOM 2161 OH2 TIP3 61 -8.970 -41.187 42.541 0.00 0.00 WAT1 ATOM 2162 H1 TIP3 61 -8.496 -40.892 43.319 0.00 0.00 WAT1 ATOM 2163 H2 TIP3 61 -9.533 -40.449 42.308 0.00 0.00 WAT1 ATOM 2164 OH2 TIP3 62 -9.498 -38.231 40.956 0.00 0.00 WAT1 ATOM 2165 H1 TIP3 62 -9.573 -38.352 40.010 0.00 0.00 WAT1 ATOM 2166 H2 TIP3 62 -9.465 -37.281 41.075 0.00 0.00 WAT1 ATOM 2167 OH2 TIP3 63 -6.727 -39.151 40.708 0.00 0.00 WAT1 ATOM 2168 H1 TIP3 63 -7.662 -39.051 40.887 0.00 0.00 WAT1 ATOM 2169 H2 TIP3 63 -6.447 -39.860 41.286 0.00 0.00 WAT1 ATOM 2170 OH2 TIP3 64 -5.219 -46.891 36.736 0.00 0.00 WAT1 ATOM 2171 H1 TIP3 64 -5.177 -47.114 35.806 0.00 0.00 WAT1 ATOM 2172 H2 TIP3 64 -4.370 -46.493 36.926 0.00 0.00 WAT1 ATOM 2173 OH2 TIP3 65 -8.685 -43.768 38.851 0.00 0.00 WAT1 ATOM 2174 H1 TIP3 65 -8.980 -42.942 39.233 0.00 0.00 WAT1 ATOM 2175 H2 TIP3 65 -9.388 -44.388 39.047 0.00 0.00 WAT1 ATOM 2176 OH2 TIP3 66 -5.622 -43.574 37.666 0.00 0.00 WAT1 ATOM 2177 H1 TIP3 66 -5.269 -43.954 38.470 0.00 0.00 WAT1 ATOM 2178 H2 TIP3 66 -6.571 -43.667 37.752 0.00 0.00 WAT1 ATOM 2179 OH2 TIP3 67 -4.756 -44.901 39.892 0.00 0.00 WAT1 ATOM 2180 H1 TIP3 67 -5.033 -45.629 40.448 0.00 0.00 WAT1 ATOM 2181 H2 TIP3 67 -3.829 -44.782 40.098 0.00 0.00 WAT1 ATOM 2182 OH2 TIP3 68 -9.856 -41.194 39.318 0.00 0.00 WAT1 ATOM 2183 H1 TIP3 68 -10.673 -40.697 39.371 0.00 0.00 WAT1 ATOM 2184 H2 TIP3 68 -9.327 -40.719 38.678 0.00 0.00 WAT1 ATOM 2185 OH2 TIP3 69 -3.896 -39.697 47.028 0.00 0.00 WAT1 ATOM 2186 H1 TIP3 69 -4.052 -39.019 46.371 0.00 0.00 WAT1 ATOM 2187 H2 TIP3 69 -2.964 -39.625 47.231 0.00 0.00 WAT1 ATOM 2188 OH2 TIP3 70 -9.493 -40.599 36.251 0.00 0.00 WAT1 ATOM 2189 H1 TIP3 70 -10.137 -41.230 36.573 0.00 0.00 WAT1 ATOM 2190 H2 TIP3 70 -8.731 -41.130 36.019 0.00 0.00 WAT1 ATOM 2191 OH2 TIP3 71 -8.582 -43.825 36.078 0.00 0.00 WAT1 ATOM 2192 H1 TIP3 71 -8.850 -43.645 36.979 0.00 0.00 WAT1 ATOM 2193 H2 TIP3 71 -8.788 -44.751 35.947 0.00 0.00 WAT1 ATOM 2194 OH2 TIP3 72 -2.324 -46.302 36.356 0.00 0.00 WAT1 ATOM 2195 H1 TIP3 72 -2.597 -46.727 35.543 0.00 0.00 WAT1 ATOM 2196 H2 TIP3 72 -2.284 -45.371 36.139 0.00 0.00 WAT1 ATOM 2197 OH2 TIP3 73 -1.180 -39.047 47.257 0.00 0.00 WAT1 ATOM 2198 H1 TIP3 73 -1.202 -38.862 48.196 0.00 0.00 WAT1 ATOM 2199 H2 TIP3 73 -0.490 -38.478 46.916 0.00 0.00 WAT1 ATOM 2200 OH2 TIP3 74 -1.865 -45.433 40.331 0.00 0.00 WAT1 ATOM 2201 H1 TIP3 74 -1.015 -45.012 40.459 0.00 0.00 WAT1 ATOM 2202 H2 TIP3 74 -1.860 -46.173 40.939 0.00 0.00 WAT1 ATOM 2203 OH2 TIP3 75 -1.471 -47.380 42.155 0.00 0.00 WAT1 ATOM 2204 H1 TIP3 75 -2.197 -47.859 42.553 0.00 0.00 WAT1 ATOM 2205 H2 TIP3 75 -0.890 -47.174 42.887 0.00 0.00 WAT1 ATOM 2206 OH2 TIP3 76 -1.203 -47.479 38.546 0.00 0.00 WAT1 ATOM 2207 H1 TIP3 76 -1.724 -47.122 37.827 0.00 0.00 WAT1 ATOM 2208 H2 TIP3 76 -1.236 -46.804 39.224 0.00 0.00 WAT1 ATOM 2209 OH2 TIP3 77 -4.442 -38.957 42.829 0.00 0.00 WAT1 ATOM 2210 H1 TIP3 77 -3.789 -39.304 42.221 0.00 0.00 WAT1 ATOM 2211 H2 TIP3 77 -3.931 -38.468 43.475 0.00 0.00 WAT1 ATOM 2212 OH2 TIP3 78 -9.171 -38.740 38.157 0.00 0.00 WAT1 ATOM 2213 H1 TIP3 78 -8.305 -38.374 37.979 0.00 0.00 WAT1 ATOM 2214 H2 TIP3 78 -9.418 -39.180 37.344 0.00 0.00 WAT1 ATOM 2215 OH2 TIP3 79 -8.761 -28.429 8.724 0.00 0.00 WAT1 ATOM 2216 H1 TIP3 79 -8.799 -29.075 9.429 0.00 0.00 WAT1 ATOM 2217 H2 TIP3 79 -9.084 -28.895 7.953 0.00 0.00 WAT1 ATOM 2218 OH2 TIP3 80 -5.055 -25.490 7.026 0.00 0.00 WAT1 ATOM 2219 H1 TIP3 80 -5.496 -26.210 7.476 0.00 0.00 WAT1 ATOM 2220 H2 TIP3 80 -5.068 -24.769 7.656 0.00 0.00 WAT1 ATOM 2221 OH2 TIP3 81 -7.944 -20.385 7.238 0.00 0.00 WAT1 ATOM 2222 H1 TIP3 81 -7.324 -21.062 6.965 0.00 0.00 WAT1 ATOM 2223 H2 TIP3 81 -8.152 -20.603 8.146 0.00 0.00 WAT1 ATOM 2224 OH2 TIP3 82 -10.372 -25.996 9.130 0.00 0.00 WAT1 ATOM 2225 H1 TIP3 82 -10.068 -26.682 8.536 0.00 0.00 WAT1 ATOM 2226 H2 TIP3 82 -9.650 -25.878 9.748 0.00 0.00 WAT1 ATOM 2227 OH2 TIP3 83 -1.709 -34.395 9.991 0.00 0.00 WAT1 ATOM 2228 H1 TIP3 83 -1.660 -33.785 10.727 0.00 0.00 WAT1 ATOM 2229 H2 TIP3 83 -1.283 -33.934 9.268 0.00 0.00 WAT1 ATOM 2230 OH2 TIP3 84 -1.317 -32.917 12.227 0.00 0.00 WAT1 ATOM 2231 H1 TIP3 84 -2.006 -32.259 12.132 0.00 0.00 WAT1 ATOM 2232 H2 TIP3 84 -1.302 -33.114 13.164 0.00 0.00 WAT1 ATOM 2233 OH2 TIP3 85 -12.697 -26.907 11.092 0.00 0.00 WAT1 ATOM 2234 H1 TIP3 85 -13.437 -26.309 11.195 0.00 0.00 WAT1 ATOM 2235 H2 TIP3 85 -11.983 -26.353 10.776 0.00 0.00 WAT1 ATOM 2236 OH2 TIP3 86 -14.289 -24.943 11.879 0.00 0.00 WAT1 ATOM 2237 H1 TIP3 86 -14.295 -24.064 11.501 0.00 0.00 WAT1 ATOM 2238 H2 TIP3 86 -15.143 -25.026 12.304 0.00 0.00 WAT1 ATOM 2239 OH2 TIP3 87 -4.543 -23.650 9.374 0.00 0.00 WAT1 ATOM 2240 H1 TIP3 87 -5.485 -23.592 9.535 0.00 0.00 WAT1 ATOM 2241 H2 TIP3 87 -4.267 -22.744 9.237 0.00 0.00 WAT1 ATOM 2242 OH2 TIP3 88 -4.243 -35.364 10.791 0.00 0.00 WAT1 ATOM 2243 H1 TIP3 88 -4.979 -34.753 10.753 0.00 0.00 WAT1 ATOM 2244 H2 TIP3 88 -3.559 -34.949 10.265 0.00 0.00 WAT1 ATOM 2245 OH2 TIP3 89 -1.604 -29.062 11.051 0.00 0.00 WAT1 ATOM 2246 H1 TIP3 89 -2.256 -28.367 11.140 0.00 0.00 WAT1 ATOM 2247 H2 TIP3 89 -1.139 -28.852 10.241 0.00 0.00 WAT1 ATOM 2248 OH2 TIP3 90 -5.670 -30.056 12.777 0.00 0.00 WAT1 ATOM 2249 H1 TIP3 90 -5.590 -29.293 13.349 0.00 0.00 WAT1 ATOM 2250 H2 TIP3 90 -6.271 -29.777 12.086 0.00 0.00 WAT1 ATOM 2251 OH2 TIP3 91 -12.555 -24.172 8.273 0.00 0.00 WAT1 ATOM 2252 H1 TIP3 91 -12.650 -24.750 7.516 0.00 0.00 WAT1 ATOM 2253 H2 TIP3 91 -11.826 -24.543 8.769 0.00 0.00 WAT1 ATOM 2254 OH2 TIP3 92 -12.675 -24.432 13.942 0.00 0.00 WAT1 ATOM 2255 H1 TIP3 92 -12.987 -23.650 14.398 0.00 0.00 WAT1 ATOM 2256 H2 TIP3 92 -13.325 -24.585 13.256 0.00 0.00 WAT1 ATOM 2257 OH2 TIP3 93 -14.436 -22.360 14.706 0.00 0.00 WAT1 ATOM 2258 H1 TIP3 93 -14.428 -22.496 13.758 0.00 0.00 WAT1 ATOM 2259 H2 TIP3 93 -15.352 -22.478 14.958 0.00 0.00 WAT1 ATOM 2260 OH2 TIP3 94 -5.982 -32.896 13.263 0.00 0.00 WAT1 ATOM 2261 H1 TIP3 94 -6.496 -33.022 14.060 0.00 0.00 WAT1 ATOM 2262 H2 TIP3 94 -6.137 -31.984 13.018 0.00 0.00 WAT1 ATOM 2263 OH2 TIP3 95 -9.245 -30.596 15.347 0.00 0.00 WAT1 ATOM 2264 H1 TIP3 95 -9.808 -31.300 15.667 0.00 0.00 WAT1 ATOM 2265 H2 TIP3 95 -8.419 -30.716 15.814 0.00 0.00 WAT1 ATOM 2266 OH2 TIP3 96 -8.079 -29.687 11.344 0.00 0.00 WAT1 ATOM 2267 H1 TIP3 96 -7.755 -30.318 10.701 0.00 0.00 WAT1 ATOM 2268 H2 TIP3 96 -8.519 -30.222 12.005 0.00 0.00 WAT1 ATOM 2269 OH2 TIP3 97 -16.011 -26.379 15.277 0.00 0.00 WAT1 ATOM 2270 H1 TIP3 97 -15.278 -26.125 15.838 0.00 0.00 WAT1 ATOM 2271 H2 TIP3 97 -16.791 -26.175 15.792 0.00 0.00 WAT1 ATOM 2272 OH2 TIP3 98 -3.661 -27.238 10.900 0.00 0.00 WAT1 ATOM 2273 H1 TIP3 98 -3.019 -26.781 10.357 0.00 0.00 WAT1 ATOM 2274 H2 TIP3 98 -4.491 -27.125 10.438 0.00 0.00 WAT1 ATOM 2275 OH2 TIP3 99 -11.661 -29.098 15.411 0.00 0.00 WAT1 ATOM 2276 H1 TIP3 99 -11.957 -29.264 14.516 0.00 0.00 WAT1 ATOM 2277 H2 TIP3 99 -10.730 -29.318 15.401 0.00 0.00 WAT1 ATOM 2278 OH2 TIP3 100 -5.854 -27.886 9.155 0.00 0.00 WAT1 ATOM 2279 H1 TIP3 100 -6.782 -28.118 9.128 0.00 0.00 WAT1 ATOM 2280 H2 TIP3 100 -5.403 -28.663 8.825 0.00 0.00 WAT1 ATOM 2281 OH2 TIP3 101 -11.369 -21.746 11.179 0.00 0.00 WAT1 ATOM 2282 H1 TIP3 101 -11.006 -20.891 10.946 0.00 0.00 WAT1 ATOM 2283 H2 TIP3 101 -10.837 -22.038 11.920 0.00 0.00 WAT1 ATOM 2284 OH2 TIP3 102 -9.789 -31.755 12.763 0.00 0.00 WAT1 ATOM 2285 H1 TIP3 102 -9.670 -31.181 13.520 0.00 0.00 WAT1 ATOM 2286 H2 TIP3 102 -9.134 -32.443 12.878 0.00 0.00 WAT1 ATOM 2287 OH2 TIP3 103 -3.585 -33.848 13.598 0.00 0.00 WAT1 ATOM 2288 H1 TIP3 103 -4.501 -33.585 13.510 0.00 0.00 WAT1 ATOM 2289 H2 TIP3 103 -3.249 -33.851 12.701 0.00 0.00 WAT1 ATOM 2290 OH2 TIP3 104 -3.896 -20.841 9.316 0.00 0.00 WAT1 ATOM 2291 H1 TIP3 104 -4.052 -20.163 8.659 0.00 0.00 WAT1 ATOM 2292 H2 TIP3 104 -2.964 -20.769 9.519 0.00 0.00 WAT1 ATOM 2293 OH2 TIP3 105 -13.585 -21.251 17.164 0.00 0.00 WAT1 ATOM 2294 H1 TIP3 105 -12.817 -21.710 17.505 0.00 0.00 WAT1 ATOM 2295 H2 TIP3 105 -13.606 -21.477 16.234 0.00 0.00 WAT1 ATOM 2296 OH2 TIP3 106 -11.162 -28.987 12.107 0.00 0.00 WAT1 ATOM 2297 H1 TIP3 106 -10.411 -29.143 11.534 0.00 0.00 WAT1 ATOM 2298 H2 TIP3 106 -11.501 -28.135 11.831 0.00 0.00 WAT1 ATOM 2299 OH2 TIP3 107 -6.746 -31.172 17.135 0.00 0.00 WAT1 ATOM 2300 H1 TIP3 107 -6.554 -32.103 17.024 0.00 0.00 WAT1 ATOM 2301 H2 TIP3 107 -5.889 -30.747 17.125 0.00 0.00 WAT1 ATOM 2302 OH2 TIP3 108 -5.430 -28.383 15.213 0.00 0.00 WAT1 ATOM 2303 H1 TIP3 108 -5.711 -27.674 14.635 0.00 0.00 WAT1 ATOM 2304 H2 TIP3 108 -4.487 -28.456 15.062 0.00 0.00 WAT1 ATOM 2305 OH2 TIP3 109 -7.958 -33.521 14.938 0.00 0.00 WAT1 ATOM 2306 H1 TIP3 109 -8.906 -33.489 15.070 0.00 0.00 WAT1 ATOM 2307 H2 TIP3 109 -7.646 -34.146 15.592 0.00 0.00 WAT1 ATOM 2308 OH2 TIP3 110 -11.363 -35.993 17.024 0.00 0.00 WAT1 ATOM 2309 H1 TIP3 110 -11.494 -36.469 16.203 0.00 0.00 WAT1 ATOM 2310 H2 TIP3 110 -11.962 -35.249 16.968 0.00 0.00 WAT1 ATOM 2311 OH2 TIP3 111 -1.180 -20.191 9.545 0.00 0.00 WAT1 ATOM 2312 H1 TIP3 111 -1.202 -20.006 10.484 0.00 0.00 WAT1 ATOM 2313 H2 TIP3 111 -0.490 -19.622 9.204 0.00 0.00 WAT1 ATOM 2314 OH2 TIP3 112 -1.617 -20.624 12.467 0.00 0.00 WAT1 ATOM 2315 H1 TIP3 112 -2.104 -21.359 12.096 0.00 0.00 WAT1 ATOM 2316 H2 TIP3 112 -1.068 -21.017 13.145 0.00 0.00 WAT1 ATOM 2317 OH2 TIP3 113 -1.712 -25.739 9.391 0.00 0.00 WAT1 ATOM 2318 H1 TIP3 113 -0.878 -26.117 9.110 0.00 0.00 WAT1 ATOM 2319 H2 TIP3 113 -1.600 -24.796 9.272 0.00 0.00 WAT1 ATOM 2320 OH2 TIP3 114 -3.225 -22.861 11.698 0.00 0.00 WAT1 ATOM 2321 H1 TIP3 114 -3.873 -22.536 12.323 0.00 0.00 WAT1 ATOM 2322 H2 TIP3 114 -3.743 -23.301 11.023 0.00 0.00 WAT1 ATOM 2323 OH2 TIP3 115 -3.333 -31.102 11.680 0.00 0.00 WAT1 ATOM 2324 H1 TIP3 115 -4.176 -30.834 12.046 0.00 0.00 WAT1 ATOM 2325 H2 TIP3 115 -2.890 -30.280 11.469 0.00 0.00 WAT1 ATOM 2326 OH2 TIP3 116 -14.103 -22.197 11.919 0.00 0.00 WAT1 ATOM 2327 H1 TIP3 116 -14.528 -21.388 11.636 0.00 0.00 WAT1 ATOM 2328 H2 TIP3 116 -13.198 -22.112 11.617 0.00 0.00 WAT1 ATOM 2329 OH2 TIP3 117 -7.447 -19.513 14.122 0.00 0.00 WAT1 ATOM 2330 H1 TIP3 117 -6.770 -20.145 13.882 0.00 0.00 WAT1 ATOM 2331 H2 TIP3 117 -7.125 -19.111 14.930 0.00 0.00 WAT1 ATOM 2332 OH2 TIP3 118 -2.529 -36.923 13.202 0.00 0.00 WAT1 ATOM 2333 H1 TIP3 118 -3.342 -36.598 12.814 0.00 0.00 WAT1 ATOM 2334 H2 TIP3 118 -2.296 -37.683 12.669 0.00 0.00 WAT1 ATOM 2335 OH2 TIP3 119 -9.523 -19.453 10.172 0.00 0.00 WAT1 ATOM 2336 H1 TIP3 119 -9.980 -18.924 9.518 0.00 0.00 WAT1 ATOM 2337 H2 TIP3 119 -9.360 -18.850 10.897 0.00 0.00 WAT1 ATOM 2338 OH2 TIP3 120 -7.196 -20.575 11.117 0.00 0.00 WAT1 ATOM 2339 H1 TIP3 120 -8.100 -20.410 10.851 0.00 0.00 WAT1 ATOM 2340 H2 TIP3 120 -6.767 -19.722 11.051 0.00 0.00 WAT1 ATOM 2341 OH2 TIP3 121 -4.591 -19.005 11.412 0.00 0.00 WAT1 ATOM 2342 H1 TIP3 121 -4.773 -18.089 11.201 0.00 0.00 WAT1 ATOM 2343 H2 TIP3 121 -4.415 -19.415 10.565 0.00 0.00 WAT1 ATOM 2344 OH2 TIP3 122 -6.420 -37.643 16.582 0.00 0.00 WAT1 ATOM 2345 H1 TIP3 122 -6.344 -38.069 17.436 0.00 0.00 WAT1 ATOM 2346 H2 TIP3 122 -5.527 -37.629 16.240 0.00 0.00 WAT1 ATOM 2347 OH2 TIP3 123 -8.761 -28.429 27.580 0.00 0.00 WAT1 ATOM 2348 H1 TIP3 123 -8.799 -29.075 28.285 0.00 0.00 WAT1 ATOM 2349 H2 TIP3 123 -9.084 -28.895 26.809 0.00 0.00 WAT1 ATOM 2350 OH2 TIP3 124 -10.372 -25.996 27.986 0.00 0.00 WAT1 ATOM 2351 H1 TIP3 124 -10.068 -26.682 27.392 0.00 0.00 WAT1 ATOM 2352 H2 TIP3 124 -9.650 -25.878 28.604 0.00 0.00 WAT1 ATOM 2353 OH2 TIP3 125 -14.076 -33.501 25.586 0.00 0.00 WAT1 ATOM 2354 H1 TIP3 125 -14.033 -32.641 25.168 0.00 0.00 WAT1 ATOM 2355 H2 TIP3 125 -14.534 -34.053 24.953 0.00 0.00 WAT1 ATOM 2356 OH2 TIP3 126 -12.300 -29.554 25.564 0.00 0.00 WAT1 ATOM 2357 H1 TIP3 126 -11.684 -30.080 26.073 0.00 0.00 WAT1 ATOM 2358 H2 TIP3 126 -12.886 -30.194 25.160 0.00 0.00 WAT1 ATOM 2359 OH2 TIP3 127 -12.697 -26.907 29.948 0.00 0.00 WAT1 ATOM 2360 H1 TIP3 127 -13.437 -26.309 30.051 0.00 0.00 WAT1 ATOM 2361 H2 TIP3 127 -11.983 -26.353 29.632 0.00 0.00 WAT1 ATOM 2362 OH2 TIP3 128 -11.240 -37.277 27.113 0.00 0.00 WAT1 ATOM 2363 H1 TIP3 128 -11.357 -38.226 27.059 0.00 0.00 WAT1 ATOM 2364 H2 TIP3 128 -12.095 -36.945 27.386 0.00 0.00 WAT1 ATOM 2365 OH2 TIP3 129 -8.919 -29.982 18.652 0.00 0.00 WAT1 ATOM 2366 H1 TIP3 129 -8.218 -29.960 19.303 0.00 0.00 WAT1 ATOM 2367 H2 TIP3 129 -8.617 -30.610 17.996 0.00 0.00 WAT1 ATOM 2368 OH2 TIP3 130 -13.922 -27.600 24.448 0.00 0.00 WAT1 ATOM 2369 H1 TIP3 130 -14.252 -27.970 23.629 0.00 0.00 WAT1 ATOM 2370 H2 TIP3 130 -13.334 -28.270 24.794 0.00 0.00 WAT1 ATOM 2371 OH2 TIP3 131 -12.555 -24.172 27.129 0.00 0.00 WAT1 ATOM 2372 H1 TIP3 131 -12.650 -24.750 26.372 0.00 0.00 WAT1 ATOM 2373 H2 TIP3 131 -11.826 -24.543 27.625 0.00 0.00 WAT1 ATOM 2374 OH2 TIP3 132 -12.675 -24.432 32.798 0.00 0.00 WAT1 ATOM 2375 H1 TIP3 132 -12.987 -23.650 33.254 0.00 0.00 WAT1 ATOM 2376 H2 TIP3 132 -13.325 -24.585 32.112 0.00 0.00 WAT1 ATOM 2377 OH2 TIP3 133 -9.912 -23.147 32.294 0.00 0.00 WAT1 ATOM 2378 H1 TIP3 133 -9.825 -22.321 32.769 0.00 0.00 WAT1 ATOM 2379 H2 TIP3 133 -10.776 -23.477 32.543 0.00 0.00 WAT1 ATOM 2380 OH2 TIP3 134 -15.844 -20.586 23.881 0.00 0.00 WAT1 ATOM 2381 H1 TIP3 134 -15.692 -20.934 24.760 0.00 0.00 WAT1 ATOM 2382 H2 TIP3 134 -16.695 -20.942 23.626 0.00 0.00 WAT1 ATOM 2383 OH2 TIP3 135 -9.308 -36.652 31.265 0.00 0.00 WAT1 ATOM 2384 H1 TIP3 135 -8.888 -37.067 32.018 0.00 0.00 WAT1 ATOM 2385 H2 TIP3 135 -10.241 -36.830 31.382 0.00 0.00 WAT1 ATOM 2386 OH2 TIP3 136 -9.646 -34.159 18.550 0.00 0.00 WAT1 ATOM 2387 H1 TIP3 136 -9.900 -34.140 19.473 0.00 0.00 WAT1 ATOM 2388 H2 TIP3 136 -9.903 -35.031 18.249 0.00 0.00 WAT1 ATOM 2389 OH2 TIP3 137 -8.347 -30.771 22.715 0.00 0.00 WAT1 ATOM 2390 H1 TIP3 137 -8.756 -29.956 22.423 0.00 0.00 WAT1 ATOM 2391 H2 TIP3 137 -7.627 -30.911 22.100 0.00 0.00 WAT1 ATOM 2392 OH2 TIP3 138 -8.079 -29.687 30.200 0.00 0.00 WAT1 ATOM 2393 H1 TIP3 138 -7.755 -30.318 29.557 0.00 0.00 WAT1 ATOM 2394 H2 TIP3 138 -8.519 -30.222 30.861 0.00 0.00 WAT1 ATOM 2395 OH2 TIP3 139 -11.301 -33.760 24.984 0.00 0.00 WAT1 ATOM 2396 H1 TIP3 139 -12.212 -33.703 25.273 0.00 0.00 WAT1 ATOM 2397 H2 TIP3 139 -10.796 -33.820 25.795 0.00 0.00 WAT1 ATOM 2398 OH2 TIP3 140 -12.820 -32.131 21.467 0.00 0.00 WAT1 ATOM 2399 H1 TIP3 140 -11.888 -32.002 21.645 0.00 0.00 WAT1 ATOM 2400 H2 TIP3 140 -13.035 -31.461 20.818 0.00 0.00 WAT1 ATOM 2401 OH2 TIP3 141 -9.981 -30.972 26.871 0.00 0.00 WAT1 ATOM 2402 H1 TIP3 141 -9.417 -31.519 26.324 0.00 0.00 WAT1 ATOM 2403 H2 TIP3 141 -10.129 -31.494 27.660 0.00 0.00 WAT1 ATOM 2404 OH2 TIP3 142 -11.355 -32.584 29.285 0.00 0.00 WAT1 ATOM 2405 H1 TIP3 142 -12.190 -32.130 29.395 0.00 0.00 WAT1 ATOM 2406 H2 TIP3 142 -10.831 -32.308 30.037 0.00 0.00 WAT1 ATOM 2407 OH2 TIP3 143 -9.291 -26.187 32.207 0.00 0.00 WAT1 ATOM 2408 H1 TIP3 143 -9.637 -26.568 33.013 0.00 0.00 WAT1 ATOM 2409 H2 TIP3 143 -9.491 -25.253 32.278 0.00 0.00 WAT1 ATOM 2410 OH2 TIP3 144 -11.661 -29.098 34.267 0.00 0.00 WAT1 ATOM 2411 H1 TIP3 144 -11.957 -29.264 33.372 0.00 0.00 WAT1 ATOM 2412 H2 TIP3 144 -10.730 -29.318 34.257 0.00 0.00 WAT1 ATOM 2413 OH2 TIP3 145 -13.311 -23.558 24.144 0.00 0.00 WAT1 ATOM 2414 H1 TIP3 145 -12.784 -22.785 23.943 0.00 0.00 WAT1 ATOM 2415 H2 TIP3 145 -14.191 -23.333 23.842 0.00 0.00 WAT1 ATOM 2416 OH2 TIP3 146 -11.884 -25.895 23.720 0.00 0.00 WAT1 ATOM 2417 H1 TIP3 146 -12.125 -24.970 23.762 0.00 0.00 WAT1 ATOM 2418 H2 TIP3 146 -12.624 -26.354 24.116 0.00 0.00 WAT1 ATOM 2419 OH2 TIP3 147 -11.369 -21.746 30.035 0.00 0.00 WAT1 ATOM 2420 H1 TIP3 147 -11.006 -20.891 29.802 0.00 0.00 WAT1 ATOM 2421 H2 TIP3 147 -10.837 -22.038 30.776 0.00 0.00 WAT1 ATOM 2422 OH2 TIP3 148 -13.200 -20.873 23.265 0.00 0.00 WAT1 ATOM 2423 H1 TIP3 148 -14.150 -20.768 23.317 0.00 0.00 WAT1 ATOM 2424 H2 TIP3 148 -12.849 -20.053 23.610 0.00 0.00 WAT1 ATOM 2425 OH2 TIP3 149 -5.166 -21.095 32.205 0.00 0.00 WAT1 ATOM 2426 H1 TIP3 149 -5.768 -21.650 31.710 0.00 0.00 WAT1 ATOM 2427 H2 TIP3 149 -4.885 -20.428 31.579 0.00 0.00 WAT1 ATOM 2428 OH2 TIP3 150 -12.594 -24.036 19.713 0.00 0.00 WAT1 ATOM 2429 H1 TIP3 150 -12.447 -24.556 20.503 0.00 0.00 WAT1 ATOM 2430 H2 TIP3 150 -12.597 -23.129 20.019 0.00 0.00 WAT1 ATOM 2431 OH2 TIP3 151 -8.309 -34.121 30.502 0.00 0.00 WAT1 ATOM 2432 H1 TIP3 151 -7.611 -34.047 31.152 0.00 0.00 WAT1 ATOM 2433 H2 TIP3 151 -8.690 -34.985 30.657 0.00 0.00 WAT1 ATOM 2434 OH2 TIP3 152 -10.325 -32.741 22.434 0.00 0.00 WAT1 ATOM 2435 H1 TIP3 152 -9.513 -32.237 22.480 0.00 0.00 WAT1 ATOM 2436 H2 TIP3 152 -10.570 -32.886 23.348 0.00 0.00 WAT1 ATOM 2437 OH2 TIP3 153 -9.789 -31.755 31.619 0.00 0.00 WAT1 ATOM 2438 H1 TIP3 153 -9.670 -31.181 32.376 0.00 0.00 WAT1 ATOM 2439 H2 TIP3 153 -9.134 -32.443 31.734 0.00 0.00 WAT1 ATOM 2440 OH2 TIP3 154 -15.525 -24.169 19.120 0.00 0.00 WAT1 ATOM 2441 H1 TIP3 154 -14.933 -23.470 19.396 0.00 0.00 WAT1 ATOM 2442 H2 TIP3 154 -15.066 -24.602 18.401 0.00 0.00 WAT1 ATOM 2443 OH2 TIP3 155 -7.008 -22.871 34.749 0.00 0.00 WAT1 ATOM 2444 H1 TIP3 155 -7.359 -23.727 34.992 0.00 0.00 WAT1 ATOM 2445 H2 TIP3 155 -6.282 -22.728 35.356 0.00 0.00 WAT1 ATOM 2446 OH2 TIP3 156 -13.934 -26.016 17.486 0.00 0.00 WAT1 ATOM 2447 H1 TIP3 156 -13.870 -26.810 18.017 0.00 0.00 WAT1 ATOM 2448 H2 TIP3 156 -13.281 -26.135 16.797 0.00 0.00 WAT1 ATOM 2449 OH2 TIP3 157 -11.620 -26.390 34.787 0.00 0.00 WAT1 ATOM 2450 H1 TIP3 157 -11.948 -26.119 33.929 0.00 0.00 WAT1 ATOM 2451 H2 TIP3 157 -11.468 -27.331 34.699 0.00 0.00 WAT1 ATOM 2452 OH2 TIP3 158 -12.785 -28.044 19.792 0.00 0.00 WAT1 ATOM 2453 H1 TIP3 158 -13.244 -28.528 20.478 0.00 0.00 WAT1 ATOM 2454 H2 TIP3 158 -12.530 -28.712 19.156 0.00 0.00 WAT1 ATOM 2455 OH2 TIP3 159 -13.496 -30.151 32.148 0.00 0.00 WAT1 ATOM 2456 H1 TIP3 159 -14.114 -29.476 32.429 0.00 0.00 WAT1 ATOM 2457 H2 TIP3 159 -13.152 -29.830 31.315 0.00 0.00 WAT1 ATOM 2458 OH2 TIP3 160 -11.714 -29.801 18.055 0.00 0.00 WAT1 ATOM 2459 H1 TIP3 160 -11.894 -29.955 17.127 0.00 0.00 WAT1 ATOM 2460 H2 TIP3 160 -10.763 -29.693 18.099 0.00 0.00 WAT1 ATOM 2461 OH2 TIP3 161 -13.156 -32.796 33.231 0.00 0.00 WAT1 ATOM 2462 H1 TIP3 161 -13.006 -33.525 32.628 0.00 0.00 WAT1 ATOM 2463 H2 TIP3 161 -13.154 -32.019 32.672 0.00 0.00 WAT1 ATOM 2464 OH2 TIP3 162 -11.162 -28.987 30.963 0.00 0.00 WAT1 ATOM 2465 H1 TIP3 162 -10.411 -29.143 30.390 0.00 0.00 WAT1 ATOM 2466 H2 TIP3 162 -11.501 -28.135 30.687 0.00 0.00 WAT1 ATOM 2467 OH2 TIP3 163 -10.674 -32.648 34.718 0.00 0.00 WAT1 ATOM 2468 H1 TIP3 163 -10.910 -32.868 35.620 0.00 0.00 WAT1 ATOM 2469 H2 TIP3 163 -11.457 -32.855 34.209 0.00 0.00 WAT1 ATOM 2470 OH2 TIP3 164 -11.716 -37.676 33.826 0.00 0.00 WAT1 ATOM 2471 H1 TIP3 164 -11.004 -38.316 33.812 0.00 0.00 WAT1 ATOM 2472 H2 TIP3 164 -11.817 -37.409 32.912 0.00 0.00 WAT1 ATOM 2473 OH2 TIP3 165 -11.363 -35.993 35.880 0.00 0.00 WAT1 ATOM 2474 H1 TIP3 165 -11.494 -36.469 35.059 0.00 0.00 WAT1 ATOM 2475 H2 TIP3 165 -11.962 -35.249 35.824 0.00 0.00 WAT1 ATOM 2476 OH2 TIP3 166 -11.816 -19.110 19.056 0.00 0.00 WAT1 ATOM 2477 H1 TIP3 166 -10.883 -18.952 19.200 0.00 0.00 WAT1 ATOM 2478 H2 TIP3 166 -12.080 -18.435 18.431 0.00 0.00 WAT1 ATOM 2479 OH2 TIP3 167 -9.792 -20.798 33.734 0.00 0.00 WAT1 ATOM 2480 H1 TIP3 167 -9.607 -21.132 34.612 0.00 0.00 WAT1 ATOM 2481 H2 TIP3 167 -8.945 -20.489 33.412 0.00 0.00 WAT1 ATOM 2482 OH2 TIP3 168 -7.447 -19.513 32.978 0.00 0.00 WAT1 ATOM 2483 H1 TIP3 168 -6.770 -20.145 32.738 0.00 0.00 WAT1 ATOM 2484 H2 TIP3 168 -7.125 -19.111 33.786 0.00 0.00 WAT1 ATOM 2485 OH2 TIP3 169 -14.234 -19.341 29.852 0.00 0.00 WAT1 ATOM 2486 H1 TIP3 169 -15.099 -19.269 30.256 0.00 0.00 WAT1 ATOM 2487 H2 TIP3 169 -14.289 -18.794 29.068 0.00 0.00 WAT1 ATOM 2488 OH2 TIP3 170 -9.523 -19.453 29.028 0.00 0.00 WAT1 ATOM 2489 H1 TIP3 170 -9.980 -18.924 28.374 0.00 0.00 WAT1 ATOM 2490 H2 TIP3 170 -9.360 -18.850 29.753 0.00 0.00 WAT1 ATOM 2491 OH2 TIP3 171 -7.196 -20.575 29.973 0.00 0.00 WAT1 ATOM 2492 H1 TIP3 171 -8.100 -20.410 29.707 0.00 0.00 WAT1 ATOM 2493 H2 TIP3 171 -6.767 -19.722 29.907 0.00 0.00 WAT1 ATOM 2494 OH2 TIP3 172 -4.591 -19.005 30.268 0.00 0.00 WAT1 ATOM 2495 H1 TIP3 172 -4.773 -18.089 30.057 0.00 0.00 WAT1 ATOM 2496 H2 TIP3 172 -4.415 -19.415 29.421 0.00 0.00 WAT1 ATOM 2497 OH2 TIP3 173 -15.145 -21.608 26.388 0.00 0.00 WAT1 ATOM 2498 H1 TIP3 173 -15.364 -22.524 26.557 0.00 0.00 WAT1 ATOM 2499 H2 TIP3 173 -14.321 -21.468 26.854 0.00 0.00 WAT1 ATOM 2500 OH2 TIP3 174 -12.608 -21.138 27.236 0.00 0.00 WAT1 ATOM 2501 H1 TIP3 174 -12.395 -22.026 26.949 0.00 0.00 WAT1 ATOM 2502 H2 TIP3 174 -12.543 -21.172 28.191 0.00 0.00 WAT1 ATOM 2503 OH2 TIP3 175 -12.193 -36.913 24.016 0.00 0.00 WAT1 ATOM 2504 H1 TIP3 175 -11.319 -36.525 23.986 0.00 0.00 WAT1 ATOM 2505 H2 TIP3 175 -12.329 -37.128 24.939 0.00 0.00 WAT1 ATOM 2506 OH2 TIP3 176 -11.049 -34.833 20.906 0.00 0.00 WAT1 ATOM 2507 H1 TIP3 176 -10.871 -35.479 21.589 0.00 0.00 WAT1 ATOM 2508 H2 TIP3 176 -11.103 -33.999 21.373 0.00 0.00 WAT1 ATOM 2509 OH2 TIP3 177 -16.217 -20.174 17.929 0.00 0.00 WAT1 ATOM 2510 H1 TIP3 177 -16.485 -19.887 18.802 0.00 0.00 WAT1 ATOM 2511 H2 TIP3 177 -15.446 -20.720 18.081 0.00 0.00 WAT1 ATOM 2512 OH2 TIP3 178 -4.590 -34.079 44.824 0.00 0.00 WAT1 ATOM 2513 H1 TIP3 178 -4.805 -34.845 45.356 0.00 0.00 WAT1 ATOM 2514 H2 TIP3 178 -3.934 -33.607 45.337 0.00 0.00 WAT1 ATOM 2515 OH2 TIP3 179 -8.973 -28.440 40.469 0.00 0.00 WAT1 ATOM 2516 H1 TIP3 179 -9.685 -27.905 40.118 0.00 0.00 WAT1 ATOM 2517 H2 TIP3 179 -8.282 -28.384 39.809 0.00 0.00 WAT1 ATOM 2518 OH2 TIP3 180 -8.919 -29.982 37.508 0.00 0.00 WAT1 ATOM 2519 H1 TIP3 180 -8.218 -29.960 38.159 0.00 0.00 WAT1 ATOM 2520 H2 TIP3 180 -8.617 -30.610 36.852 0.00 0.00 WAT1 ATOM 2521 OH2 TIP3 181 -5.567 -28.230 41.421 0.00 0.00 WAT1 ATOM 2522 H1 TIP3 181 -6.299 -28.002 41.994 0.00 0.00 WAT1 ATOM 2523 H2 TIP3 181 -5.120 -28.944 41.876 0.00 0.00 WAT1 ATOM 2524 OH2 TIP3 182 -6.696 -29.068 39.106 0.00 0.00 WAT1 ATOM 2525 H1 TIP3 182 -6.117 -28.918 39.853 0.00 0.00 WAT1 ATOM 2526 H2 TIP3 182 -6.282 -28.597 38.383 0.00 0.00 WAT1 ATOM 2527 OH2 TIP3 183 -1.808 -22.952 37.296 0.00 0.00 WAT1 ATOM 2528 H1 TIP3 183 -1.735 -22.013 37.466 0.00 0.00 WAT1 ATOM 2529 H2 TIP3 183 -0.903 -23.257 37.239 0.00 0.00 WAT1 ATOM 2530 OH2 TIP3 184 -6.396 -20.221 37.959 0.00 0.00 WAT1 ATOM 2531 H1 TIP3 184 -6.021 -20.965 37.488 0.00 0.00 WAT1 ATOM 2532 H2 TIP3 184 -6.392 -20.491 38.877 0.00 0.00 WAT1 ATOM 2533 OH2 TIP3 185 -9.646 -34.159 37.406 0.00 0.00 WAT1 ATOM 2534 H1 TIP3 185 -9.900 -34.140 38.329 0.00 0.00 WAT1 ATOM 2535 H2 TIP3 185 -9.903 -35.031 37.105 0.00 0.00 WAT1 ATOM 2536 OH2 TIP3 186 -8.347 -30.771 41.571 0.00 0.00 WAT1 ATOM 2537 H1 TIP3 186 -8.756 -29.956 41.279 0.00 0.00 WAT1 ATOM 2538 H2 TIP3 186 -7.627 -30.911 40.956 0.00 0.00 WAT1 ATOM 2539 OH2 TIP3 187 -6.913 -33.557 38.025 0.00 0.00 WAT1 ATOM 2540 H1 TIP3 187 -7.851 -33.445 37.874 0.00 0.00 WAT1 ATOM 2541 H2 TIP3 187 -6.616 -32.700 38.331 0.00 0.00 WAT1 ATOM 2542 OH2 TIP3 188 -6.195 -31.690 39.686 0.00 0.00 WAT1 ATOM 2543 H1 TIP3 188 -5.303 -31.827 40.005 0.00 0.00 WAT1 ATOM 2544 H2 TIP3 188 -6.138 -30.899 39.149 0.00 0.00 WAT1 ATOM 2545 OH2 TIP3 189 -8.685 -24.912 38.851 0.00 0.00 WAT1 ATOM 2546 H1 TIP3 189 -8.980 -24.086 39.233 0.00 0.00 WAT1 ATOM 2547 H2 TIP3 189 -9.388 -25.532 39.047 0.00 0.00 WAT1 ATOM 2548 OH2 TIP3 190 -3.014 -22.694 39.845 0.00 0.00 WAT1 ATOM 2549 H1 TIP3 190 -3.387 -23.520 40.155 0.00 0.00 WAT1 ATOM 2550 H2 TIP3 190 -2.737 -22.877 38.948 0.00 0.00 WAT1 ATOM 2551 OH2 TIP3 191 -5.622 -24.718 37.666 0.00 0.00 WAT1 ATOM 2552 H1 TIP3 191 -5.269 -25.098 38.470 0.00 0.00 WAT1 ATOM 2553 H2 TIP3 191 -6.571 -24.811 37.752 0.00 0.00 WAT1 ATOM 2554 OH2 TIP3 192 -1.118 -20.238 37.867 0.00 0.00 WAT1 ATOM 2555 H1 TIP3 192 -0.375 -19.652 37.727 0.00 0.00 WAT1 ATOM 2556 H2 TIP3 192 -1.813 -19.670 38.200 0.00 0.00 WAT1 ATOM 2557 OH2 TIP3 193 -4.756 -26.045 39.892 0.00 0.00 WAT1 ATOM 2558 H1 TIP3 193 -5.033 -26.773 40.448 0.00 0.00 WAT1 ATOM 2559 H2 TIP3 193 -3.829 -25.926 40.098 0.00 0.00 WAT1 ATOM 2560 OH2 TIP3 194 -11.531 -23.606 36.113 0.00 0.00 WAT1 ATOM 2561 H1 TIP3 194 -11.292 -24.354 35.565 0.00 0.00 WAT1 ATOM 2562 H2 TIP3 194 -11.800 -23.994 36.945 0.00 0.00 WAT1 ATOM 2563 OH2 TIP3 195 -7.525 -34.469 40.455 0.00 0.00 WAT1 ATOM 2564 H1 TIP3 195 -7.305 -33.997 39.652 0.00 0.00 WAT1 ATOM 2565 H2 TIP3 195 -6.967 -34.074 41.126 0.00 0.00 WAT1 ATOM 2566 OH2 TIP3 196 -9.493 -21.743 36.251 0.00 0.00 WAT1 ATOM 2567 H1 TIP3 196 -10.137 -22.374 36.573 0.00 0.00 WAT1 ATOM 2568 H2 TIP3 196 -8.731 -22.274 36.019 0.00 0.00 WAT1 ATOM 2569 OH2 TIP3 197 -4.889 -21.926 36.485 0.00 0.00 WAT1 ATOM 2570 H1 TIP3 197 -4.606 -22.720 36.938 0.00 0.00 WAT1 ATOM 2571 H2 TIP3 197 -4.149 -21.693 35.924 0.00 0.00 WAT1 ATOM 2572 OH2 TIP3 198 -8.582 -24.969 36.078 0.00 0.00 WAT1 ATOM 2573 H1 TIP3 198 -8.850 -24.789 36.979 0.00 0.00 WAT1 ATOM 2574 H2 TIP3 198 -8.788 -25.895 35.947 0.00 0.00 WAT1 ATOM 2575 OH2 TIP3 199 -11.714 -29.801 36.911 0.00 0.00 WAT1 ATOM 2576 H1 TIP3 199 -11.894 -29.955 35.983 0.00 0.00 WAT1 ATOM 2577 H2 TIP3 199 -10.763 -29.693 36.955 0.00 0.00 WAT1 ATOM 2578 OH2 TIP3 200 -1.865 -26.577 40.331 0.00 0.00 WAT1 ATOM 2579 H1 TIP3 200 -1.015 -26.156 40.459 0.00 0.00 WAT1 ATOM 2580 H2 TIP3 200 -1.860 -27.317 40.939 0.00 0.00 WAT1 ATOM 2581 OH2 TIP3 201 -1.471 -28.524 42.155 0.00 0.00 WAT1 ATOM 2582 H1 TIP3 201 -2.197 -29.003 42.553 0.00 0.00 WAT1 ATOM 2583 H2 TIP3 201 -0.890 -28.318 42.887 0.00 0.00 WAT1 ATOM 2584 OH2 TIP3 202 -3.684 -30.003 42.718 0.00 0.00 WAT1 ATOM 2585 H1 TIP3 202 -3.834 -30.948 42.698 0.00 0.00 WAT1 ATOM 2586 H2 TIP3 202 -4.038 -29.722 43.562 0.00 0.00 WAT1 ATOM 2587 OH2 TIP3 203 -3.974 -32.420 41.180 0.00 0.00 WAT1 ATOM 2588 H1 TIP3 203 -3.694 -33.327 41.305 0.00 0.00 WAT1 ATOM 2589 H2 TIP3 203 -3.215 -31.986 40.791 0.00 0.00 WAT1 ATOM 2590 OH2 TIP3 204 -3.360 -35.157 41.229 0.00 0.00 WAT1 ATOM 2591 H1 TIP3 204 -3.178 -35.606 42.054 0.00 0.00 WAT1 ATOM 2592 H2 TIP3 204 -3.960 -35.742 40.765 0.00 0.00 WAT1 ATOM 2593 OH2 TIP3 205 -3.957 -37.367 45.349 0.00 0.00 WAT1 ATOM 2594 H1 TIP3 205 -3.353 -36.819 44.848 0.00 0.00 WAT1 ATOM 2595 H2 TIP3 205 -4.826 -37.047 45.109 0.00 0.00 WAT1 ATOM 2596 OH2 TIP3 206 -2.230 -36.228 43.683 0.00 0.00 WAT1 ATOM 2597 H1 TIP3 206 -1.618 -36.742 43.156 0.00 0.00 WAT1 ATOM 2598 H2 TIP3 206 -1.847 -35.350 43.706 0.00 0.00 WAT1 ATOM 2599 OH2 TIP3 207 -6.636 -36.883 44.521 0.00 0.00 WAT1 ATOM 2600 H1 TIP3 207 -6.560 -36.788 43.572 0.00 0.00 WAT1 ATOM 2601 H2 TIP3 207 -6.912 -37.791 44.650 0.00 0.00 WAT1 ATOM 2602 OH2 TIP3 208 -5.283 -36.857 40.214 0.00 0.00 WAT1 ATOM 2603 H1 TIP3 208 -5.986 -36.243 40.004 0.00 0.00 WAT1 ATOM 2604 H2 TIP3 208 -5.728 -37.695 40.345 0.00 0.00 WAT1 ATOM 2605 OH2 TIP3 209 -9.308 -17.796 12.409 0.00 0.00 WAT1 ATOM 2606 H1 TIP3 209 -8.888 -18.211 13.162 0.00 0.00 WAT1 ATOM 2607 H2 TIP3 209 -10.241 -17.974 12.526 0.00 0.00 WAT1 ATOM 2608 OH2 TIP3 210 -3.585 -14.992 13.598 0.00 0.00 WAT1 ATOM 2609 H1 TIP3 210 -4.501 -14.729 13.510 0.00 0.00 WAT1 ATOM 2610 H2 TIP3 210 -3.249 -14.995 12.701 0.00 0.00 WAT1 ATOM 2611 OH2 TIP3 211 -11.938 -18.114 12.299 0.00 0.00 WAT1 ATOM 2612 H1 TIP3 211 -12.036 -17.167 12.193 0.00 0.00 WAT1 ATOM 2613 H2 TIP3 211 -12.681 -18.486 11.823 0.00 0.00 WAT1 ATOM 2614 OH2 TIP3 212 -7.958 -14.665 14.938 0.00 0.00 WAT1 ATOM 2615 H1 TIP3 212 -8.906 -14.633 15.070 0.00 0.00 WAT1 ATOM 2616 H2 TIP3 212 -7.646 -15.290 15.592 0.00 0.00 WAT1 ATOM 2617 OH2 TIP3 213 -6.324 -16.031 16.943 0.00 0.00 WAT1 ATOM 2618 H1 TIP3 213 -6.421 -16.983 16.937 0.00 0.00 WAT1 ATOM 2619 H2 TIP3 213 -6.646 -15.762 17.804 0.00 0.00 WAT1 ATOM 2620 OH2 TIP3 214 -11.716 -18.820 14.970 0.00 0.00 WAT1 ATOM 2621 H1 TIP3 214 -11.004 -19.460 14.956 0.00 0.00 WAT1 ATOM 2622 H2 TIP3 214 -11.817 -18.553 14.056 0.00 0.00 WAT1 ATOM 2623 OH2 TIP3 215 -11.363 -17.137 17.024 0.00 0.00 WAT1 ATOM 2624 H1 TIP3 215 -11.494 -17.613 16.203 0.00 0.00 WAT1 ATOM 2625 H2 TIP3 215 -11.962 -16.393 16.968 0.00 0.00 WAT1 ATOM 2626 OH2 TIP3 216 -1.530 -16.157 15.383 0.00 0.00 WAT1 ATOM 2627 H1 TIP3 216 -2.447 -15.886 15.347 0.00 0.00 WAT1 ATOM 2628 H2 TIP3 216 -1.407 -16.692 14.599 0.00 0.00 WAT1 ATOM 2629 OH2 TIP3 217 -2.529 -18.067 13.202 0.00 0.00 WAT1 ATOM 2630 H1 TIP3 217 -3.342 -17.742 12.814 0.00 0.00 WAT1 ATOM 2631 H2 TIP3 217 -2.296 -18.827 12.669 0.00 0.00 WAT1 ATOM 2632 OH2 TIP3 218 -1.709 -15.539 28.847 0.00 0.00 WAT1 ATOM 2633 H1 TIP3 218 -1.660 -14.929 29.583 0.00 0.00 WAT1 ATOM 2634 H2 TIP3 218 -1.283 -15.078 28.124 0.00 0.00 WAT1 ATOM 2635 OH2 TIP3 219 -7.231 -12.746 28.314 0.00 0.00 WAT1 ATOM 2636 H1 TIP3 219 -7.088 -13.693 28.334 0.00 0.00 WAT1 ATOM 2637 H2 TIP3 219 -7.337 -12.539 27.385 0.00 0.00 WAT1 ATOM 2638 OH2 TIP3 220 -14.076 -14.645 25.586 0.00 0.00 WAT1 ATOM 2639 H1 TIP3 220 -14.033 -13.785 25.168 0.00 0.00 WAT1 ATOM 2640 H2 TIP3 220 -14.534 -15.197 24.953 0.00 0.00 WAT1 ATOM 2641 OH2 TIP3 221 -1.317 -14.061 31.083 0.00 0.00 WAT1 ATOM 2642 H1 TIP3 221 -2.006 -13.403 30.988 0.00 0.00 WAT1 ATOM 2643 H2 TIP3 221 -1.302 -14.258 32.020 0.00 0.00 WAT1 ATOM 2644 OH2 TIP3 222 -4.243 -16.508 29.647 0.00 0.00 WAT1 ATOM 2645 H1 TIP3 222 -4.979 -15.897 29.609 0.00 0.00 WAT1 ATOM 2646 H2 TIP3 222 -3.559 -16.093 29.121 0.00 0.00 WAT1 ATOM 2647 OH2 TIP3 223 -5.567 -9.374 22.565 0.00 0.00 WAT1 ATOM 2648 H1 TIP3 223 -6.299 -9.146 23.138 0.00 0.00 WAT1 ATOM 2649 H2 TIP3 223 -5.120 -10.088 23.020 0.00 0.00 WAT1 ATOM 2650 OH2 TIP3 224 -6.696 -10.212 20.250 0.00 0.00 WAT1 ATOM 2651 H1 TIP3 224 -6.117 -10.062 20.997 0.00 0.00 WAT1 ATOM 2652 H2 TIP3 224 -6.282 -9.741 19.527 0.00 0.00 WAT1 ATOM 2653 OH2 TIP3 225 -13.971 -17.518 27.891 0.00 0.00 WAT1 ATOM 2654 H1 TIP3 225 -14.832 -17.605 27.483 0.00 0.00 WAT1 ATOM 2655 H2 TIP3 225 -13.993 -16.662 28.318 0.00 0.00 WAT1 ATOM 2656 OH2 TIP3 226 -9.308 -17.796 31.265 0.00 0.00 WAT1 ATOM 2657 H1 TIP3 226 -8.888 -18.211 32.018 0.00 0.00 WAT1 ATOM 2658 H2 TIP3 226 -10.241 -17.974 31.382 0.00 0.00 WAT1 ATOM 2659 OH2 TIP3 227 -9.646 -15.303 18.550 0.00 0.00 WAT1 ATOM 2660 H1 TIP3 227 -9.900 -15.284 19.473 0.00 0.00 WAT1 ATOM 2661 H2 TIP3 227 -9.903 -16.175 18.249 0.00 0.00 WAT1 ATOM 2662 OH2 TIP3 228 -8.347 -11.915 22.715 0.00 0.00 WAT1 ATOM 2663 H1 TIP3 228 -8.756 -11.100 22.423 0.00 0.00 WAT1 ATOM 2664 H2 TIP3 228 -7.627 -12.055 22.100 0.00 0.00 WAT1 ATOM 2665 OH2 TIP3 229 -7.343 -12.469 25.529 0.00 0.00 WAT1 ATOM 2666 H1 TIP3 229 -7.538 -11.864 24.814 0.00 0.00 WAT1 ATOM 2667 H2 TIP3 229 -7.161 -13.303 25.094 0.00 0.00 WAT1 ATOM 2668 OH2 TIP3 230 -12.764 -14.858 17.651 0.00 0.00 WAT1 ATOM 2669 H1 TIP3 230 -13.195 -15.303 18.381 0.00 0.00 WAT1 ATOM 2670 H2 TIP3 230 -13.482 -14.486 17.139 0.00 0.00 WAT1 ATOM 2671 OH2 TIP3 231 -11.301 -14.904 24.984 0.00 0.00 WAT1 ATOM 2672 H1 TIP3 231 -12.212 -14.847 25.273 0.00 0.00 WAT1 ATOM 2673 H2 TIP3 231 -10.796 -14.964 25.795 0.00 0.00 WAT1 ATOM 2674 OH2 TIP3 232 -12.820 -13.275 21.467 0.00 0.00 WAT1 ATOM 2675 H1 TIP3 232 -11.888 -13.146 21.645 0.00 0.00 WAT1 ATOM 2676 H2 TIP3 232 -13.035 -12.605 20.818 0.00 0.00 WAT1 ATOM 2677 OH2 TIP3 233 -9.981 -12.116 26.871 0.00 0.00 WAT1 ATOM 2678 H1 TIP3 233 -9.417 -12.663 26.324 0.00 0.00 WAT1 ATOM 2679 H2 TIP3 233 -10.129 -12.638 27.660 0.00 0.00 WAT1 ATOM 2680 OH2 TIP3 234 -14.979 -15.980 23.289 0.00 0.00 WAT1 ATOM 2681 H1 TIP3 234 -15.296 -16.882 23.254 0.00 0.00 WAT1 ATOM 2682 H2 TIP3 234 -14.198 -15.978 22.737 0.00 0.00 WAT1 ATOM 2683 OH2 TIP3 235 -11.355 -13.728 29.285 0.00 0.00 WAT1 ATOM 2684 H1 TIP3 235 -12.190 -13.274 29.395 0.00 0.00 WAT1 ATOM 2685 H2 TIP3 235 -10.831 -13.452 30.037 0.00 0.00 WAT1 ATOM 2686 OH2 TIP3 236 -6.913 -14.701 19.169 0.00 0.00 WAT1 ATOM 2687 H1 TIP3 236 -7.851 -14.589 19.018 0.00 0.00 WAT1 ATOM 2688 H2 TIP3 236 -6.616 -13.844 19.475 0.00 0.00 WAT1 ATOM 2689 OH2 TIP3 237 -6.195 -12.834 20.830 0.00 0.00 WAT1 ATOM 2690 H1 TIP3 237 -5.303 -12.971 21.149 0.00 0.00 WAT1 ATOM 2691 H2 TIP3 237 -6.138 -12.043 20.293 0.00 0.00 WAT1 ATOM 2692 OH2 TIP3 238 -1.310 -12.624 20.524 0.00 0.00 WAT1 ATOM 2693 H1 TIP3 238 -1.864 -13.020 19.852 0.00 0.00 WAT1 ATOM 2694 H2 TIP3 238 -1.209 -11.714 20.247 0.00 0.00 WAT1 ATOM 2695 OH2 TIP3 239 -8.309 -15.265 30.502 0.00 0.00 WAT1 ATOM 2696 H1 TIP3 239 -7.611 -15.191 31.152 0.00 0.00 WAT1 ATOM 2697 H2 TIP3 239 -8.690 -16.129 30.657 0.00 0.00 WAT1 ATOM 2698 OH2 TIP3 240 -10.325 -13.885 22.434 0.00 0.00 WAT1 ATOM 2699 H1 TIP3 240 -9.513 -13.381 22.480 0.00 0.00 WAT1 ATOM 2700 H2 TIP3 240 -10.570 -14.030 23.348 0.00 0.00 WAT1 ATOM 2701 OH2 TIP3 241 -13.784 -15.741 20.060 0.00 0.00 WAT1 ATOM 2702 H1 TIP3 241 -13.867 -14.852 20.406 0.00 0.00 WAT1 ATOM 2703 H2 TIP3 241 -12.894 -16.006 20.291 0.00 0.00 WAT1 ATOM 2704 OH2 TIP3 242 -3.585 -14.992 32.454 0.00 0.00 WAT1 ATOM 2705 H1 TIP3 242 -4.501 -14.729 32.366 0.00 0.00 WAT1 ATOM 2706 H2 TIP3 242 -3.249 -14.995 31.557 0.00 0.00 WAT1 ATOM 2707 OH2 TIP3 243 -4.983 -11.241 26.550 0.00 0.00 WAT1 ATOM 2708 H1 TIP3 243 -5.780 -11.656 26.221 0.00 0.00 WAT1 ATOM 2709 H2 TIP3 243 -4.538 -11.932 27.041 0.00 0.00 WAT1 ATOM 2710 OH2 TIP3 244 -12.744 -15.570 30.723 0.00 0.00 WAT1 ATOM 2711 H1 TIP3 244 -12.208 -15.119 30.071 0.00 0.00 WAT1 ATOM 2712 H2 TIP3 244 -13.596 -15.678 30.301 0.00 0.00 WAT1 ATOM 2713 OH2 TIP3 245 -11.938 -18.114 31.155 0.00 0.00 WAT1 ATOM 2714 H1 TIP3 245 -12.036 -17.167 31.049 0.00 0.00 WAT1 ATOM 2715 H2 TIP3 245 -12.681 -18.486 30.679 0.00 0.00 WAT1 ATOM 2716 OH2 TIP3 246 -6.324 -16.031 35.799 0.00 0.00 WAT1 ATOM 2717 H1 TIP3 246 -6.421 -16.983 35.793 0.00 0.00 WAT1 ATOM 2718 H2 TIP3 246 -6.646 -15.762 36.660 0.00 0.00 WAT1 ATOM 2719 OH2 TIP3 247 -3.684 -11.147 23.862 0.00 0.00 WAT1 ATOM 2720 H1 TIP3 247 -3.834 -12.092 23.842 0.00 0.00 WAT1 ATOM 2721 H2 TIP3 247 -4.038 -10.866 24.706 0.00 0.00 WAT1 ATOM 2722 OH2 TIP3 248 -3.606 -15.119 17.358 0.00 0.00 WAT1 ATOM 2723 H1 TIP3 248 -2.996 -15.491 17.995 0.00 0.00 WAT1 ATOM 2724 H2 TIP3 248 -4.443 -15.541 17.554 0.00 0.00 WAT1 ATOM 2725 OH2 TIP3 249 -3.974 -13.564 22.324 0.00 0.00 WAT1 ATOM 2726 H1 TIP3 249 -3.694 -14.471 22.449 0.00 0.00 WAT1 ATOM 2727 H2 TIP3 249 -3.215 -13.130 21.935 0.00 0.00 WAT1 ATOM 2728 OH2 TIP3 250 -3.362 -12.983 27.760 0.00 0.00 WAT1 ATOM 2729 H1 TIP3 250 -2.429 -12.771 27.726 0.00 0.00 WAT1 ATOM 2730 H2 TIP3 250 -3.597 -12.881 28.683 0.00 0.00 WAT1 ATOM 2731 OH2 TIP3 251 -3.333 -12.246 30.536 0.00 0.00 WAT1 ATOM 2732 H1 TIP3 251 -4.176 -11.978 30.902 0.00 0.00 WAT1 ATOM 2733 H2 TIP3 251 -2.890 -11.424 30.325 0.00 0.00 WAT1 ATOM 2734 OH2 TIP3 252 -1.530 -16.157 34.239 0.00 0.00 WAT1 ATOM 2735 H1 TIP3 252 -2.447 -15.886 34.203 0.00 0.00 WAT1 ATOM 2736 H2 TIP3 252 -1.407 -16.692 33.455 0.00 0.00 WAT1 ATOM 2737 OH2 TIP3 253 -1.494 -16.234 18.901 0.00 0.00 WAT1 ATOM 2738 H1 TIP3 253 -1.081 -16.955 18.425 0.00 0.00 WAT1 ATOM 2739 H2 TIP3 253 -0.812 -15.564 18.959 0.00 0.00 WAT1 ATOM 2740 OH2 TIP3 254 -11.049 -15.977 20.906 0.00 0.00 WAT1 ATOM 2741 H1 TIP3 254 -10.871 -16.623 21.589 0.00 0.00 WAT1 ATOM 2742 H2 TIP3 254 -11.103 -15.143 21.373 0.00 0.00 WAT1 ATOM 2743 OH2 TIP3 255 -6.420 -18.787 35.438 0.00 0.00 WAT1 ATOM 2744 H1 TIP3 255 -6.344 -19.213 36.292 0.00 0.00 WAT1 ATOM 2745 H2 TIP3 255 -5.527 -18.773 35.096 0.00 0.00 WAT1 ATOM 2746 OH2 TIP3 256 -2.998 -18.462 38.919 0.00 0.00 WAT1 ATOM 2747 H1 TIP3 256 -3.897 -18.323 39.214 0.00 0.00 WAT1 ATOM 2748 H2 TIP3 256 -2.746 -17.631 38.517 0.00 0.00 WAT1 ATOM 2749 OH2 TIP3 257 -3.606 -15.119 36.214 0.00 0.00 WAT1 ATOM 2750 H1 TIP3 257 -2.996 -15.491 36.851 0.00 0.00 WAT1 ATOM 2751 H2 TIP3 257 -4.443 -15.541 36.410 0.00 0.00 WAT1 ATOM 2752 OH2 TIP3 258 -1.494 -16.234 37.757 0.00 0.00 WAT1 ATOM 2753 H1 TIP3 258 -1.081 -16.955 37.281 0.00 0.00 WAT1 ATOM 2754 H2 TIP3 258 -0.812 -15.564 37.815 0.00 0.00 WAT1 ATOM 2755 OH2 TIP3 259 14.313 -42.506 9.374 0.00 0.00 WAT1 ATOM 2756 H1 TIP3 259 13.371 -42.448 9.535 0.00 0.00 WAT1 ATOM 2757 H2 TIP3 259 14.589 -41.600 9.237 0.00 0.00 WAT1 ATOM 2758 OH2 TIP3 260 15.410 -44.258 12.985 0.00 0.00 WAT1 ATOM 2759 H1 TIP3 260 15.550 -44.849 12.246 0.00 0.00 WAT1 ATOM 2760 H2 TIP3 260 15.578 -43.385 12.629 0.00 0.00 WAT1 ATOM 2761 OH2 TIP3 261 11.610 -42.184 9.959 0.00 0.00 WAT1 ATOM 2762 H1 TIP3 261 11.369 -41.522 10.607 0.00 0.00 WAT1 ATOM 2763 H2 TIP3 261 11.412 -43.018 10.384 0.00 0.00 WAT1 ATOM 2764 OH2 TIP3 262 6.181 -43.288 13.942 0.00 0.00 WAT1 ATOM 2765 H1 TIP3 262 5.869 -42.506 14.398 0.00 0.00 WAT1 ATOM 2766 H2 TIP3 262 5.531 -43.441 13.256 0.00 0.00 WAT1 ATOM 2767 OH2 TIP3 263 4.420 -41.216 14.706 0.00 0.00 WAT1 ATOM 2768 H1 TIP3 263 4.428 -41.352 13.758 0.00 0.00 WAT1 ATOM 2769 H2 TIP3 263 3.504 -41.334 14.958 0.00 0.00 WAT1 ATOM 2770 OH2 TIP3 264 0.017 -45.023 11.996 0.00 0.00 WAT1 ATOM 2771 H1 TIP3 264 -0.484 -45.051 11.181 0.00 0.00 WAT1 ATOM 2772 H2 TIP3 264 0.023 -45.929 12.306 0.00 0.00 WAT1 ATOM 2773 OH2 TIP3 265 8.944 -42.003 13.438 0.00 0.00 WAT1 ATOM 2774 H1 TIP3 265 9.031 -41.177 13.913 0.00 0.00 WAT1 ATOM 2775 H2 TIP3 265 8.080 -42.333 13.687 0.00 0.00 WAT1 ATOM 2776 OH2 TIP3 266 2.266 -43.700 13.039 0.00 0.00 WAT1 ATOM 2777 H1 TIP3 266 2.483 -44.061 13.899 0.00 0.00 WAT1 ATOM 2778 H2 TIP3 266 1.411 -44.074 12.829 0.00 0.00 WAT1 ATOM 2779 OH2 TIP3 267 2.845 -45.235 15.277 0.00 0.00 WAT1 ATOM 2780 H1 TIP3 267 3.578 -44.981 15.838 0.00 0.00 WAT1 ATOM 2781 H2 TIP3 267 2.065 -45.031 15.792 0.00 0.00 WAT1 ATOM 2782 OH2 TIP3 268 9.565 -45.043 13.351 0.00 0.00 WAT1 ATOM 2783 H1 TIP3 268 9.219 -45.424 14.157 0.00 0.00 WAT1 ATOM 2784 H2 TIP3 268 9.365 -44.109 13.422 0.00 0.00 WAT1 ATOM 2785 OH2 TIP3 269 0.178 -47.471 13.198 0.00 0.00 WAT1 ATOM 2786 H1 TIP3 269 0.401 -47.889 14.030 0.00 0.00 WAT1 ATOM 2787 H2 TIP3 269 -0.424 -48.084 12.776 0.00 0.00 WAT1 ATOM 2788 OH2 TIP3 270 11.815 -42.581 13.301 0.00 0.00 WAT1 ATOM 2789 H1 TIP3 270 10.914 -42.398 13.033 0.00 0.00 WAT1 ATOM 2790 H2 TIP3 270 11.849 -42.322 14.222 0.00 0.00 WAT1 ATOM 2791 OH2 TIP3 271 17.510 -44.536 14.505 0.00 0.00 WAT1 ATOM 2792 H1 TIP3 271 16.658 -44.298 14.138 0.00 0.00 WAT1 ATOM 2793 H2 TIP3 271 18.100 -44.553 13.752 0.00 0.00 WAT1 ATOM 2794 OH2 TIP3 272 7.487 -40.602 11.179 0.00 0.00 WAT1 ATOM 2795 H1 TIP3 272 7.850 -39.747 10.946 0.00 0.00 WAT1 ATOM 2796 H2 TIP3 272 8.019 -40.894 11.920 0.00 0.00 WAT1 ATOM 2797 OH2 TIP3 273 1.463 -40.913 11.191 0.00 0.00 WAT1 ATOM 2798 H1 TIP3 273 1.680 -41.845 11.160 0.00 0.00 WAT1 ATOM 2799 H2 TIP3 273 1.710 -40.639 12.075 0.00 0.00 WAT1 ATOM 2800 OH2 TIP3 274 14.960 -39.697 9.316 0.00 0.00 WAT1 ATOM 2801 H1 TIP3 274 14.804 -39.019 8.659 0.00 0.00 WAT1 ATOM 2802 H2 TIP3 274 15.892 -39.625 9.519 0.00 0.00 WAT1 ATOM 2803 OH2 TIP3 275 0.581 -45.216 16.498 0.00 0.00 WAT1 ATOM 2804 H1 TIP3 275 0.725 -46.118 16.212 0.00 0.00 WAT1 ATOM 2805 H2 TIP3 275 -0.192 -44.930 16.010 0.00 0.00 WAT1 ATOM 2806 OH2 TIP3 276 7.236 -45.246 15.931 0.00 0.00 WAT1 ATOM 2807 H1 TIP3 276 6.908 -44.975 15.073 0.00 0.00 WAT1 ATOM 2808 H2 TIP3 276 7.388 -46.187 15.843 0.00 0.00 WAT1 ATOM 2809 OH2 TIP3 277 12.971 -45.330 13.314 0.00 0.00 WAT1 ATOM 2810 H1 TIP3 277 13.716 -44.742 13.194 0.00 0.00 WAT1 ATOM 2811 H2 TIP3 277 12.214 -44.748 13.377 0.00 0.00 WAT1 ATOM 2812 OH2 TIP3 278 1.413 -48.016 15.918 0.00 0.00 WAT1 ATOM 2813 H1 TIP3 278 1.821 -48.873 15.797 0.00 0.00 WAT1 ATOM 2814 H2 TIP3 278 1.153 -48.001 16.839 0.00 0.00 WAT1 ATOM 2815 OH2 TIP3 279 10.380 -46.536 16.570 0.00 0.00 WAT1 ATOM 2816 H1 TIP3 279 11.333 -46.452 16.542 0.00 0.00 WAT1 ATOM 2817 H2 TIP3 279 10.220 -47.247 17.189 0.00 0.00 WAT1 ATOM 2818 OH2 TIP3 280 13.426 -47.239 15.213 0.00 0.00 WAT1 ATOM 2819 H1 TIP3 280 13.145 -46.530 14.635 0.00 0.00 WAT1 ATOM 2820 H2 TIP3 280 14.369 -47.312 15.062 0.00 0.00 WAT1 ATOM 2821 OH2 TIP3 281 17.676 -39.047 9.545 0.00 0.00 WAT1 ATOM 2822 H1 TIP3 281 17.654 -38.862 10.484 0.00 0.00 WAT1 ATOM 2823 H2 TIP3 281 18.366 -38.478 9.204 0.00 0.00 WAT1 ATOM 2824 OH2 TIP3 282 17.144 -44.595 9.391 0.00 0.00 WAT1 ATOM 2825 H1 TIP3 282 17.978 -44.973 9.110 0.00 0.00 WAT1 ATOM 2826 H2 TIP3 282 17.256 -43.652 9.272 0.00 0.00 WAT1 ATOM 2827 OH2 TIP3 283 15.631 -41.717 11.698 0.00 0.00 WAT1 ATOM 2828 H1 TIP3 283 14.983 -41.392 12.323 0.00 0.00 WAT1 ATOM 2829 H2 TIP3 283 15.113 -42.157 11.023 0.00 0.00 WAT1 ATOM 2830 OH2 TIP3 284 16.028 -46.889 14.645 0.00 0.00 WAT1 ATOM 2831 H1 TIP3 284 16.611 -47.623 14.836 0.00 0.00 WAT1 ATOM 2832 H2 TIP3 284 16.592 -46.117 14.691 0.00 0.00 WAT1 ATOM 2833 OH2 TIP3 285 1.799 -42.028 15.660 0.00 0.00 WAT1 ATOM 2834 H1 TIP3 285 0.978 -41.853 15.200 0.00 0.00 WAT1 ATOM 2835 H2 TIP3 285 1.547 -42.101 16.581 0.00 0.00 WAT1 ATOM 2836 OH2 TIP3 286 4.753 -41.053 11.919 0.00 0.00 WAT1 ATOM 2837 H1 TIP3 286 4.328 -40.244 11.636 0.00 0.00 WAT1 ATOM 2838 H2 TIP3 286 5.658 -40.968 11.617 0.00 0.00 WAT1 ATOM 2839 OH2 TIP3 287 2.155 -37.797 11.966 0.00 0.00 WAT1 ATOM 2840 H1 TIP3 287 1.435 -37.357 11.515 0.00 0.00 WAT1 ATOM 2841 H2 TIP3 287 1.789 -38.048 12.815 0.00 0.00 WAT1 ATOM 2842 OH2 TIP3 288 4.622 -38.197 10.996 0.00 0.00 WAT1 ATOM 2843 H1 TIP3 288 3.757 -38.125 11.400 0.00 0.00 WAT1 ATOM 2844 H2 TIP3 288 4.567 -37.650 10.212 0.00 0.00 WAT1 ATOM 2845 OH2 TIP3 289 9.333 -38.309 10.172 0.00 0.00 WAT1 ATOM 2846 H1 TIP3 289 8.876 -37.780 9.518 0.00 0.00 WAT1 ATOM 2847 H2 TIP3 289 9.496 -37.706 10.897 0.00 0.00 WAT1 ATOM 2848 OH2 TIP3 290 11.660 -39.431 11.117 0.00 0.00 WAT1 ATOM 2849 H1 TIP3 290 10.756 -39.266 10.851 0.00 0.00 WAT1 ATOM 2850 H2 TIP3 290 12.089 -38.578 11.051 0.00 0.00 WAT1 ATOM 2851 OH2 TIP3 291 6.248 -39.994 8.380 0.00 0.00 WAT1 ATOM 2852 H1 TIP3 291 6.461 -40.882 8.093 0.00 0.00 WAT1 ATOM 2853 H2 TIP3 291 6.313 -40.028 9.335 0.00 0.00 WAT1 ATOM 2854 OH2 TIP3 292 2.463 -47.670 29.173 0.00 0.00 WAT1 ATOM 2855 H1 TIP3 292 2.505 -48.296 29.897 0.00 0.00 WAT1 ATOM 2856 H2 TIP3 292 3.166 -47.047 29.355 0.00 0.00 WAT1 ATOM 2857 OH2 TIP3 293 0.707 -47.398 25.227 0.00 0.00 WAT1 ATOM 2858 H1 TIP3 293 0.921 -48.168 25.754 0.00 0.00 WAT1 ATOM 2859 H2 TIP3 293 1.445 -47.309 24.624 0.00 0.00 WAT1 ATOM 2860 OH2 TIP3 294 11.625 -50.458 28.314 0.00 0.00 WAT1 ATOM 2861 H1 TIP3 294 11.768 -51.405 28.334 0.00 0.00 WAT1 ATOM 2862 H2 TIP3 294 11.519 -50.251 27.385 0.00 0.00 WAT1 ATOM 2863 OH2 TIP3 295 6.556 -48.410 25.564 0.00 0.00 WAT1 ATOM 2864 H1 TIP3 295 7.172 -48.936 26.073 0.00 0.00 WAT1 ATOM 2865 H2 TIP3 295 5.970 -49.050 25.160 0.00 0.00 WAT1 ATOM 2866 OH2 TIP3 296 0.688 -44.128 21.517 0.00 0.00 WAT1 ATOM 2867 H1 TIP3 296 0.416 -43.899 20.628 0.00 0.00 WAT1 ATOM 2868 H2 TIP3 296 0.733 -43.290 21.977 0.00 0.00 WAT1 ATOM 2869 OH2 TIP3 297 9.883 -47.296 21.613 0.00 0.00 WAT1 ATOM 2870 H1 TIP3 297 9.171 -46.761 21.262 0.00 0.00 WAT1 ATOM 2871 H2 TIP3 297 10.574 -47.240 20.953 0.00 0.00 WAT1 ATOM 2872 OH2 TIP3 298 9.937 -48.838 18.652 0.00 0.00 WAT1 ATOM 2873 H1 TIP3 298 10.638 -48.816 19.303 0.00 0.00 WAT1 ATOM 2874 H2 TIP3 298 10.239 -49.466 17.996 0.00 0.00 WAT1 ATOM 2875 OH2 TIP3 299 17.252 -47.918 29.907 0.00 0.00 WAT1 ATOM 2876 H1 TIP3 299 16.600 -47.223 29.996 0.00 0.00 WAT1 ATOM 2877 H2 TIP3 299 17.717 -47.708 29.097 0.00 0.00 WAT1 ATOM 2878 OH2 TIP3 300 13.186 -48.912 31.633 0.00 0.00 WAT1 ATOM 2879 H1 TIP3 300 13.266 -48.149 32.205 0.00 0.00 WAT1 ATOM 2880 H2 TIP3 300 12.585 -48.633 30.942 0.00 0.00 WAT1 ATOM 2881 OH2 TIP3 301 4.934 -46.456 24.448 0.00 0.00 WAT1 ATOM 2882 H1 TIP3 301 4.604 -46.826 23.629 0.00 0.00 WAT1 ATOM 2883 H2 TIP3 301 5.522 -47.126 24.794 0.00 0.00 WAT1 ATOM 2884 OH2 TIP3 302 5.301 -47.687 28.081 0.00 0.00 WAT1 ATOM 2885 H1 TIP3 302 5.866 -47.566 27.318 0.00 0.00 WAT1 ATOM 2886 H2 TIP3 302 5.620 -47.050 28.720 0.00 0.00 WAT1 ATOM 2887 OH2 TIP3 303 12.160 -47.924 20.250 0.00 0.00 WAT1 ATOM 2888 H1 TIP3 303 12.739 -47.774 20.997 0.00 0.00 WAT1 ATOM 2889 H2 TIP3 303 12.574 -47.453 19.527 0.00 0.00 WAT1 ATOM 2890 OH2 TIP3 304 3.101 -47.090 32.027 0.00 0.00 WAT1 ATOM 2891 H1 TIP3 304 3.171 -46.439 32.725 0.00 0.00 WAT1 ATOM 2892 H2 TIP3 304 2.210 -46.987 31.692 0.00 0.00 WAT1 ATOM 2893 OH2 TIP3 305 15.117 -50.084 33.898 0.00 0.00 WAT1 ATOM 2894 H1 TIP3 305 14.710 -49.603 33.178 0.00 0.00 WAT1 ATOM 2895 H2 TIP3 305 15.158 -50.989 33.591 0.00 0.00 WAT1 ATOM 2896 OH2 TIP3 306 12.874 -51.752 32.119 0.00 0.00 WAT1 ATOM 2897 H1 TIP3 306 12.360 -51.878 32.916 0.00 0.00 WAT1 ATOM 2898 H2 TIP3 306 12.719 -50.840 31.874 0.00 0.00 WAT1 ATOM 2899 OH2 TIP3 307 13.637 -46.891 17.880 0.00 0.00 WAT1 ATOM 2900 H1 TIP3 307 13.679 -47.114 16.950 0.00 0.00 WAT1 ATOM 2901 H2 TIP3 307 14.486 -46.493 18.070 0.00 0.00 WAT1 ATOM 2902 OH2 TIP3 308 4.976 -50.264 28.986 0.00 0.00 WAT1 ATOM 2903 H1 TIP3 308 4.334 -50.305 29.695 0.00 0.00 WAT1 ATOM 2904 H2 TIP3 308 5.013 -49.338 28.748 0.00 0.00 WAT1 ATOM 2905 OH2 TIP3 309 10.509 -49.627 22.715 0.00 0.00 WAT1 ATOM 2906 H1 TIP3 309 10.100 -48.812 22.423 0.00 0.00 WAT1 ATOM 2907 H2 TIP3 309 11.229 -49.767 22.100 0.00 0.00 WAT1 ATOM 2908 OH2 TIP3 310 9.611 -49.452 34.203 0.00 0.00 WAT1 ATOM 2909 H1 TIP3 310 9.048 -50.156 34.523 0.00 0.00 WAT1 ATOM 2910 H2 TIP3 310 10.437 -49.572 34.670 0.00 0.00 WAT1 ATOM 2911 OH2 TIP3 311 11.513 -50.181 25.529 0.00 0.00 WAT1 ATOM 2912 H1 TIP3 311 11.318 -49.576 24.814 0.00 0.00 WAT1 ATOM 2913 H2 TIP3 311 11.695 -51.015 25.094 0.00 0.00 WAT1 ATOM 2914 OH2 TIP3 312 2.726 -49.944 30.853 0.00 0.00 WAT1 ATOM 2915 H1 TIP3 312 2.688 -49.544 31.721 0.00 0.00 WAT1 ATOM 2916 H2 TIP3 312 2.235 -50.761 30.943 0.00 0.00 WAT1 ATOM 2917 OH2 TIP3 313 8.875 -49.828 26.871 0.00 0.00 WAT1 ATOM 2918 H1 TIP3 313 9.439 -50.375 26.324 0.00 0.00 WAT1 ATOM 2919 H2 TIP3 313 8.727 -50.350 27.660 0.00 0.00 WAT1 ATOM 2920 OH2 TIP3 314 7.501 -51.440 29.285 0.00 0.00 WAT1 ATOM 2921 H1 TIP3 314 6.666 -50.986 29.395 0.00 0.00 WAT1 ATOM 2922 H2 TIP3 314 8.025 -51.164 30.037 0.00 0.00 WAT1 ATOM 2923 OH2 TIP3 315 8.045 -45.227 20.970 0.00 0.00 WAT1 ATOM 2924 H1 TIP3 315 7.301 -45.734 20.647 0.00 0.00 WAT1 ATOM 2925 H2 TIP3 315 7.911 -45.178 21.916 0.00 0.00 WAT1 ATOM 2926 OH2 TIP3 316 15.195 -46.094 29.756 0.00 0.00 WAT1 ATOM 2927 H1 TIP3 316 15.837 -45.637 29.213 0.00 0.00 WAT1 ATOM 2928 H2 TIP3 316 14.365 -45.981 29.294 0.00 0.00 WAT1 ATOM 2929 OH2 TIP3 317 12.661 -50.546 20.830 0.00 0.00 WAT1 ATOM 2930 H1 TIP3 317 13.553 -50.683 21.149 0.00 0.00 WAT1 ATOM 2931 H2 TIP3 317 12.718 -49.755 20.293 0.00 0.00 WAT1 ATOM 2932 OH2 TIP3 318 3.170 -45.932 26.739 0.00 0.00 WAT1 ATOM 2933 H1 TIP3 318 3.915 -45.934 26.138 0.00 0.00 WAT1 ATOM 2934 H2 TIP3 318 3.248 -46.756 27.221 0.00 0.00 WAT1 ATOM 2935 OH2 TIP3 319 0.178 -47.471 32.054 0.00 0.00 WAT1 ATOM 2936 H1 TIP3 319 0.401 -47.889 32.886 0.00 0.00 WAT1 ATOM 2937 H2 TIP3 319 -0.424 -48.084 31.632 0.00 0.00 WAT1 ATOM 2938 OH2 TIP3 320 7.195 -47.954 34.267 0.00 0.00 WAT1 ATOM 2939 H1 TIP3 320 6.899 -48.120 33.372 0.00 0.00 WAT1 ATOM 2940 H2 TIP3 320 8.126 -48.174 34.257 0.00 0.00 WAT1 ATOM 2941 OH2 TIP3 321 17.546 -50.336 20.524 0.00 0.00 WAT1 ATOM 2942 H1 TIP3 321 16.992 -50.732 19.852 0.00 0.00 WAT1 ATOM 2943 H2 TIP3 321 17.647 -49.426 20.247 0.00 0.00 WAT1 ATOM 2944 OH2 TIP3 322 5.545 -42.414 24.144 0.00 0.00 WAT1 ATOM 2945 H1 TIP3 322 6.072 -41.641 23.943 0.00 0.00 WAT1 ATOM 2946 H2 TIP3 322 4.665 -42.189 23.842 0.00 0.00 WAT1 ATOM 2947 OH2 TIP3 323 1.300 -47.552 18.731 0.00 0.00 WAT1 ATOM 2948 H1 TIP3 323 1.916 -46.925 19.110 0.00 0.00 WAT1 ATOM 2949 H2 TIP3 323 0.438 -47.236 19.002 0.00 0.00 WAT1 ATOM 2950 OH2 TIP3 324 6.972 -44.751 23.720 0.00 0.00 WAT1 ATOM 2951 H1 TIP3 324 6.731 -43.826 23.762 0.00 0.00 WAT1 ATOM 2952 H2 TIP3 324 6.232 -45.210 24.116 0.00 0.00 WAT1 ATOM 2953 OH2 TIP3 325 7.325 -42.462 17.257 0.00 0.00 WAT1 ATOM 2954 H1 TIP3 325 7.564 -43.210 16.709 0.00 0.00 WAT1 ATOM 2955 H2 TIP3 325 7.056 -42.850 18.089 0.00 0.00 WAT1 ATOM 2956 OH2 TIP3 326 2.715 -45.639 20.223 0.00 0.00 WAT1 ATOM 2957 H1 TIP3 326 2.029 -45.287 20.790 0.00 0.00 WAT1 ATOM 2958 H2 TIP3 326 3.238 -44.876 19.977 0.00 0.00 WAT1 ATOM 2959 OH2 TIP3 327 10.547 -52.977 30.502 0.00 0.00 WAT1 ATOM 2960 H1 TIP3 327 11.245 -52.903 31.152 0.00 0.00 WAT1 ATOM 2961 H2 TIP3 327 10.166 -53.841 30.657 0.00 0.00 WAT1 ATOM 2962 OH2 TIP3 328 9.067 -50.611 31.619 0.00 0.00 WAT1 ATOM 2963 H1 TIP3 328 9.186 -50.037 32.376 0.00 0.00 WAT1 ATOM 2964 H2 TIP3 328 9.722 -51.299 31.734 0.00 0.00 WAT1 ATOM 2965 OH2 TIP3 329 13.873 -48.953 26.550 0.00 0.00 WAT1 ATOM 2966 H1 TIP3 329 13.076 -49.368 26.221 0.00 0.00 WAT1 ATOM 2967 H2 TIP3 329 14.318 -49.644 27.041 0.00 0.00 WAT1 ATOM 2968 OH2 TIP3 330 0.581 -45.216 35.354 0.00 0.00 WAT1 ATOM 2969 H1 TIP3 330 0.725 -46.118 35.068 0.00 0.00 WAT1 ATOM 2970 H2 TIP3 330 -0.192 -44.930 34.866 0.00 0.00 WAT1 ATOM 2971 OH2 TIP3 331 4.922 -44.872 17.486 0.00 0.00 WAT1 ATOM 2972 H1 TIP3 331 4.986 -45.666 18.017 0.00 0.00 WAT1 ATOM 2973 H2 TIP3 331 5.575 -44.991 16.797 0.00 0.00 WAT1 ATOM 2974 OH2 TIP3 332 7.236 -45.246 34.787 0.00 0.00 WAT1 ATOM 2975 H1 TIP3 332 6.908 -44.975 33.929 0.00 0.00 WAT1 ATOM 2976 H2 TIP3 332 7.388 -46.187 34.699 0.00 0.00 WAT1 ATOM 2977 OH2 TIP3 333 10.274 -43.825 17.222 0.00 0.00 WAT1 ATOM 2978 H1 TIP3 333 10.006 -43.645 18.123 0.00 0.00 WAT1 ATOM 2979 H2 TIP3 333 10.068 -44.751 17.091 0.00 0.00 WAT1 ATOM 2980 OH2 TIP3 334 1.413 -48.016 34.774 0.00 0.00 WAT1 ATOM 2981 H1 TIP3 334 1.821 -48.873 34.653 0.00 0.00 WAT1 ATOM 2982 H2 TIP3 334 1.153 -48.001 35.695 0.00 0.00 WAT1 ATOM 2983 OH2 TIP3 335 6.071 -46.900 19.792 0.00 0.00 WAT1 ATOM 2984 H1 TIP3 335 5.612 -47.384 20.478 0.00 0.00 WAT1 ATOM 2985 H2 TIP3 335 6.326 -47.568 19.156 0.00 0.00 WAT1 ATOM 2986 OH2 TIP3 336 5.360 -49.007 32.148 0.00 0.00 WAT1 ATOM 2987 H1 TIP3 336 4.742 -48.332 32.429 0.00 0.00 WAT1 ATOM 2988 H2 TIP3 336 5.704 -48.686 31.315 0.00 0.00 WAT1 ATOM 2989 OH2 TIP3 337 10.380 -46.536 35.426 0.00 0.00 WAT1 ATOM 2990 H1 TIP3 337 11.333 -46.452 35.398 0.00 0.00 WAT1 ATOM 2991 H2 TIP3 337 10.220 -47.247 36.045 0.00 0.00 WAT1 ATOM 2992 OH2 TIP3 338 16.532 -46.302 17.500 0.00 0.00 WAT1 ATOM 2993 H1 TIP3 338 16.259 -46.727 16.687 0.00 0.00 WAT1 ATOM 2994 H2 TIP3 338 16.572 -45.371 17.283 0.00 0.00 WAT1 ATOM 2995 OH2 TIP3 339 5.700 -51.652 33.231 0.00 0.00 WAT1 ATOM 2996 H1 TIP3 339 5.850 -52.381 32.628 0.00 0.00 WAT1 ATOM 2997 H2 TIP3 339 5.702 -50.875 32.672 0.00 0.00 WAT1 ATOM 2998 OH2 TIP3 340 12.110 -50.028 35.991 0.00 0.00 WAT1 ATOM 2999 H1 TIP3 340 12.302 -50.959 35.880 0.00 0.00 WAT1 ATOM 3000 H2 TIP3 340 12.967 -49.603 35.981 0.00 0.00 WAT1 ATOM 3001 OH2 TIP3 341 4.178 -50.454 35.142 0.00 0.00 WAT1 ATOM 3002 H1 TIP3 341 3.411 -50.986 34.932 0.00 0.00 WAT1 ATOM 3003 H2 TIP3 341 4.857 -50.764 34.543 0.00 0.00 WAT1 ATOM 3004 OH2 TIP3 342 8.182 -51.504 34.718 0.00 0.00 WAT1 ATOM 3005 H1 TIP3 342 7.946 -51.724 35.620 0.00 0.00 WAT1 ATOM 3006 H2 TIP3 342 7.399 -51.711 34.209 0.00 0.00 WAT1 ATOM 3007 OH2 TIP3 343 10.898 -52.377 33.794 0.00 0.00 WAT1 ATOM 3008 H1 TIP3 343 9.950 -52.345 33.926 0.00 0.00 WAT1 ATOM 3009 H2 TIP3 343 11.210 -53.002 34.448 0.00 0.00 WAT1 ATOM 3010 OH2 TIP3 344 17.385 -47.380 23.299 0.00 0.00 WAT1 ATOM 3011 H1 TIP3 344 16.659 -47.859 23.697 0.00 0.00 WAT1 ATOM 3012 H2 TIP3 344 17.966 -47.174 24.031 0.00 0.00 WAT1 ATOM 3013 OH2 TIP3 345 17.653 -47.479 19.690 0.00 0.00 WAT1 ATOM 3014 H1 TIP3 345 17.132 -47.122 18.971 0.00 0.00 WAT1 ATOM 3015 H2 TIP3 345 17.620 -46.804 20.368 0.00 0.00 WAT1 ATOM 3016 OH2 TIP3 346 16.002 -50.239 18.241 0.00 0.00 WAT1 ATOM 3017 H1 TIP3 346 16.099 -49.572 17.561 0.00 0.00 WAT1 ATOM 3018 H2 TIP3 346 15.862 -51.055 17.759 0.00 0.00 WAT1 ATOM 3019 OH2 TIP3 347 15.172 -48.859 23.862 0.00 0.00 WAT1 ATOM 3020 H1 TIP3 347 15.022 -49.804 23.842 0.00 0.00 WAT1 ATOM 3021 H2 TIP3 347 14.818 -48.578 24.706 0.00 0.00 WAT1 ATOM 3022 OH2 TIP3 348 0.207 -46.781 27.872 0.00 0.00 WAT1 ATOM 3023 H1 TIP3 348 0.391 -46.863 26.937 0.00 0.00 WAT1 ATOM 3024 H2 TIP3 348 1.056 -46.905 28.296 0.00 0.00 WAT1 ATOM 3025 OH2 TIP3 349 17.525 -48.986 34.185 0.00 0.00 WAT1 ATOM 3026 H1 TIP3 349 16.662 -49.365 34.020 0.00 0.00 WAT1 ATOM 3027 H2 TIP3 349 18.129 -49.725 34.111 0.00 0.00 WAT1 ATOM 3028 OH2 TIP3 350 14.882 -51.276 22.324 0.00 0.00 WAT1 ATOM 3029 H1 TIP3 350 15.162 -52.183 22.449 0.00 0.00 WAT1 ATOM 3030 H2 TIP3 350 15.641 -50.842 21.935 0.00 0.00 WAT1 ATOM 3031 OH2 TIP3 351 15.494 -50.695 27.760 0.00 0.00 WAT1 ATOM 3032 H1 TIP3 351 16.427 -50.483 27.726 0.00 0.00 WAT1 ATOM 3033 H2 TIP3 351 15.259 -50.593 28.683 0.00 0.00 WAT1 ATOM 3034 OH2 TIP3 352 15.523 -49.958 30.536 0.00 0.00 WAT1 ATOM 3035 H1 TIP3 352 14.680 -49.690 30.902 0.00 0.00 WAT1 ATOM 3036 H2 TIP3 352 15.966 -49.136 30.325 0.00 0.00 WAT1 ATOM 3037 OH2 TIP3 353 11.162 -46.540 43.017 0.00 0.00 WAT1 ATOM 3038 H1 TIP3 353 11.251 -45.596 42.885 0.00 0.00 WAT1 ATOM 3039 H2 TIP3 353 10.523 -46.815 42.359 0.00 0.00 WAT1 ATOM 3040 OH2 TIP3 354 13.801 -44.346 44.738 0.00 0.00 WAT1 ATOM 3041 H1 TIP3 354 13.360 -45.066 45.188 0.00 0.00 WAT1 ATOM 3042 H2 TIP3 354 13.788 -43.625 45.368 0.00 0.00 WAT1 ATOM 3043 OH2 TIP3 355 3.387 -43.220 46.564 0.00 0.00 WAT1 ATOM 3044 H1 TIP3 355 3.017 -44.022 46.195 0.00 0.00 WAT1 ATOM 3045 H2 TIP3 355 4.328 -43.389 46.611 0.00 0.00 WAT1 ATOM 3046 OH2 TIP3 356 0.707 -47.398 44.083 0.00 0.00 WAT1 ATOM 3047 H1 TIP3 356 0.921 -48.168 44.610 0.00 0.00 WAT1 ATOM 3048 H2 TIP3 356 1.445 -47.309 43.480 0.00 0.00 WAT1 ATOM 3049 OH2 TIP3 357 10.912 -39.241 44.950 0.00 0.00 WAT1 ATOM 3050 H1 TIP3 357 11.532 -39.918 44.677 0.00 0.00 WAT1 ATOM 3051 H2 TIP3 357 10.704 -39.459 45.858 0.00 0.00 WAT1 ATOM 3052 OH2 TIP3 358 8.484 -44.852 46.842 0.00 0.00 WAT1 ATOM 3053 H1 TIP3 358 8.788 -45.538 46.248 0.00 0.00 WAT1 ATOM 3054 H2 TIP3 358 9.206 -44.734 47.460 0.00 0.00 WAT1 ATOM 3055 OH2 TIP3 359 14.313 -42.506 47.086 0.00 0.00 WAT1 ATOM 3056 H1 TIP3 359 13.371 -42.448 47.247 0.00 0.00 WAT1 ATOM 3057 H2 TIP3 359 14.589 -41.600 46.949 0.00 0.00 WAT1 ATOM 3058 OH2 TIP3 360 9.883 -47.296 40.469 0.00 0.00 WAT1 ATOM 3059 H1 TIP3 360 9.171 -46.761 40.118 0.00 0.00 WAT1 ATOM 3060 H2 TIP3 360 10.574 -47.240 39.809 0.00 0.00 WAT1 ATOM 3061 OH2 TIP3 361 9.937 -48.838 37.508 0.00 0.00 WAT1 ATOM 3062 H1 TIP3 361 10.638 -48.816 38.159 0.00 0.00 WAT1 ATOM 3063 H2 TIP3 361 10.239 -49.466 36.852 0.00 0.00 WAT1 ATOM 3064 OH2 TIP3 362 13.289 -47.086 41.421 0.00 0.00 WAT1 ATOM 3065 H1 TIP3 362 12.557 -46.858 41.994 0.00 0.00 WAT1 ATOM 3066 H2 TIP3 362 13.736 -47.800 41.876 0.00 0.00 WAT1 ATOM 3067 OH2 TIP3 363 4.934 -46.456 43.304 0.00 0.00 WAT1 ATOM 3068 H1 TIP3 363 4.604 -46.826 42.485 0.00 0.00 WAT1 ATOM 3069 H2 TIP3 363 5.522 -47.126 43.650 0.00 0.00 WAT1 ATOM 3070 OH2 TIP3 364 6.301 -43.028 45.985 0.00 0.00 WAT1 ATOM 3071 H1 TIP3 364 6.206 -43.606 45.228 0.00 0.00 WAT1 ATOM 3072 H2 TIP3 364 7.030 -43.399 46.481 0.00 0.00 WAT1 ATOM 3073 OH2 TIP3 365 11.610 -42.184 47.671 0.00 0.00 WAT1 ATOM 3074 H1 TIP3 365 11.369 -41.522 48.319 0.00 0.00 WAT1 ATOM 3075 H2 TIP3 365 11.412 -43.018 48.096 0.00 0.00 WAT1 ATOM 3076 OH2 TIP3 366 12.160 -47.924 39.106 0.00 0.00 WAT1 ATOM 3077 H1 TIP3 366 12.739 -47.774 39.853 0.00 0.00 WAT1 ATOM 3078 H2 TIP3 366 12.574 -47.453 38.383 0.00 0.00 WAT1 ATOM 3079 OH2 TIP3 367 3.924 -47.386 40.893 0.00 0.00 WAT1 ATOM 3080 H1 TIP3 367 3.632 -46.618 40.402 0.00 0.00 WAT1 ATOM 3081 H2 TIP3 367 3.250 -48.046 40.730 0.00 0.00 WAT1 ATOM 3082 OH2 TIP3 368 -0.232 -42.243 46.592 0.00 0.00 WAT1 ATOM 3083 H1 TIP3 368 0.714 -42.387 46.573 0.00 0.00 WAT1 ATOM 3084 H2 TIP3 368 -0.345 -41.459 47.129 0.00 0.00 WAT1 ATOM 3085 OH2 TIP3 369 12.661 -50.546 39.686 0.00 0.00 WAT1 ATOM 3086 H1 TIP3 369 13.553 -50.683 40.005 0.00 0.00 WAT1 ATOM 3087 H2 TIP3 369 12.718 -49.755 39.149 0.00 0.00 WAT1 ATOM 3088 OH2 TIP3 370 3.170 -45.932 45.595 0.00 0.00 WAT1 ATOM 3089 H1 TIP3 370 3.915 -45.934 44.994 0.00 0.00 WAT1 ATOM 3090 H2 TIP3 370 3.248 -46.756 46.077 0.00 0.00 WAT1 ATOM 3091 OH2 TIP3 371 17.546 -50.336 39.380 0.00 0.00 WAT1 ATOM 3092 H1 TIP3 371 16.992 -50.732 38.708 0.00 0.00 WAT1 ATOM 3093 H2 TIP3 371 17.647 -49.426 39.103 0.00 0.00 WAT1 ATOM 3094 OH2 TIP3 372 1.300 -47.552 37.587 0.00 0.00 WAT1 ATOM 3095 H1 TIP3 372 1.916 -46.925 37.966 0.00 0.00 WAT1 ATOM 3096 H2 TIP3 372 0.438 -47.236 37.858 0.00 0.00 WAT1 ATOM 3097 OH2 TIP3 373 6.972 -44.751 42.576 0.00 0.00 WAT1 ATOM 3098 H1 TIP3 373 6.731 -43.826 42.618 0.00 0.00 WAT1 ATOM 3099 H2 TIP3 373 6.232 -45.210 42.972 0.00 0.00 WAT1 ATOM 3100 OH2 TIP3 374 7.487 -40.602 48.891 0.00 0.00 WAT1 ATOM 3101 H1 TIP3 374 7.850 -39.747 48.658 0.00 0.00 WAT1 ATOM 3102 H2 TIP3 374 8.019 -40.894 49.632 0.00 0.00 WAT1 ATOM 3103 OH2 TIP3 375 14.100 -44.901 39.892 0.00 0.00 WAT1 ATOM 3104 H1 TIP3 375 13.823 -45.629 40.448 0.00 0.00 WAT1 ATOM 3105 H2 TIP3 375 15.027 -44.782 40.098 0.00 0.00 WAT1 ATOM 3106 OH2 TIP3 376 2.715 -45.639 39.079 0.00 0.00 WAT1 ATOM 3107 H1 TIP3 376 2.029 -45.287 39.646 0.00 0.00 WAT1 ATOM 3108 H2 TIP3 376 3.238 -44.876 38.833 0.00 0.00 WAT1 ATOM 3109 OH2 TIP3 377 14.960 -39.697 47.028 0.00 0.00 WAT1 ATOM 3110 H1 TIP3 377 14.804 -39.019 46.371 0.00 0.00 WAT1 ATOM 3111 H2 TIP3 377 15.892 -39.625 47.231 0.00 0.00 WAT1 ATOM 3112 OH2 TIP3 378 4.922 -44.872 36.342 0.00 0.00 WAT1 ATOM 3113 H1 TIP3 378 4.986 -45.666 36.873 0.00 0.00 WAT1 ATOM 3114 H2 TIP3 378 5.575 -44.991 35.653 0.00 0.00 WAT1 ATOM 3115 OH2 TIP3 379 6.071 -46.900 38.648 0.00 0.00 WAT1 ATOM 3116 H1 TIP3 379 5.612 -47.384 39.334 0.00 0.00 WAT1 ATOM 3117 H2 TIP3 379 6.326 -47.568 38.012 0.00 0.00 WAT1 ATOM 3118 OH2 TIP3 380 7.142 -48.657 36.911 0.00 0.00 WAT1 ATOM 3119 H1 TIP3 380 6.962 -48.811 35.983 0.00 0.00 WAT1 ATOM 3120 H2 TIP3 380 8.093 -48.549 36.955 0.00 0.00 WAT1 ATOM 3121 OH2 TIP3 381 0.127 -39.856 44.277 0.00 0.00 WAT1 ATOM 3122 H1 TIP3 381 -0.207 -40.737 44.449 0.00 0.00 WAT1 ATOM 3123 H2 TIP3 381 0.349 -39.511 45.141 0.00 0.00 WAT1 ATOM 3124 OH2 TIP3 382 17.676 -39.047 47.257 0.00 0.00 WAT1 ATOM 3125 H1 TIP3 382 17.654 -38.862 48.196 0.00 0.00 WAT1 ATOM 3126 H2 TIP3 382 18.366 -38.478 46.916 0.00 0.00 WAT1 ATOM 3127 OH2 TIP3 383 17.239 -39.480 50.179 0.00 0.00 WAT1 ATOM 3128 H1 TIP3 383 16.752 -40.215 49.808 0.00 0.00 WAT1 ATOM 3129 H2 TIP3 383 17.788 -39.873 50.857 0.00 0.00 WAT1 ATOM 3130 OH2 TIP3 384 16.991 -45.433 40.331 0.00 0.00 WAT1 ATOM 3131 H1 TIP3 384 17.841 -45.012 40.459 0.00 0.00 WAT1 ATOM 3132 H2 TIP3 384 16.996 -46.173 40.939 0.00 0.00 WAT1 ATOM 3133 OH2 TIP3 385 17.385 -47.380 42.155 0.00 0.00 WAT1 ATOM 3134 H1 TIP3 385 16.659 -47.859 42.553 0.00 0.00 WAT1 ATOM 3135 H2 TIP3 385 17.966 -47.174 42.887 0.00 0.00 WAT1 ATOM 3136 OH2 TIP3 386 17.144 -44.595 47.103 0.00 0.00 WAT1 ATOM 3137 H1 TIP3 386 17.978 -44.973 46.822 0.00 0.00 WAT1 ATOM 3138 H2 TIP3 386 17.256 -43.652 46.984 0.00 0.00 WAT1 ATOM 3139 OH2 TIP3 387 17.653 -47.479 38.546 0.00 0.00 WAT1 ATOM 3140 H1 TIP3 387 17.132 -47.122 37.827 0.00 0.00 WAT1 ATOM 3141 H2 TIP3 387 17.620 -46.804 39.224 0.00 0.00 WAT1 ATOM 3142 OH2 TIP3 388 16.002 -50.239 37.097 0.00 0.00 WAT1 ATOM 3143 H1 TIP3 388 16.099 -49.572 36.417 0.00 0.00 WAT1 ATOM 3144 H2 TIP3 388 15.862 -51.055 36.615 0.00 0.00 WAT1 ATOM 3145 OH2 TIP3 389 4.622 -38.197 48.708 0.00 0.00 WAT1 ATOM 3146 H1 TIP3 389 3.757 -38.125 49.112 0.00 0.00 WAT1 ATOM 3147 H2 TIP3 389 4.567 -37.650 47.924 0.00 0.00 WAT1 ATOM 3148 OH2 TIP3 390 9.333 -38.309 47.884 0.00 0.00 WAT1 ATOM 3149 H1 TIP3 390 8.876 -37.780 47.230 0.00 0.00 WAT1 ATOM 3150 H2 TIP3 390 9.496 -37.706 48.609 0.00 0.00 WAT1 ATOM 3151 OH2 TIP3 391 14.265 -37.861 49.124 0.00 0.00 WAT1 ATOM 3152 H1 TIP3 391 14.083 -36.945 48.913 0.00 0.00 WAT1 ATOM 3153 H2 TIP3 391 14.441 -38.271 48.277 0.00 0.00 WAT1 ATOM 3154 OH2 TIP3 392 1.570 -39.174 46.589 0.00 0.00 WAT1 ATOM 3155 H1 TIP3 392 1.551 -39.599 47.446 0.00 0.00 WAT1 ATOM 3156 H2 TIP3 392 2.375 -39.492 46.180 0.00 0.00 WAT1 ATOM 3157 OH2 TIP3 393 3.711 -40.464 45.244 0.00 0.00 WAT1 ATOM 3158 H1 TIP3 393 3.492 -41.380 45.413 0.00 0.00 WAT1 ATOM 3159 H2 TIP3 393 4.535 -40.324 45.710 0.00 0.00 WAT1 ATOM 3160 OH2 TIP3 394 6.248 -39.994 46.092 0.00 0.00 WAT1 ATOM 3161 H1 TIP3 394 6.461 -40.882 45.805 0.00 0.00 WAT1 ATOM 3162 H2 TIP3 394 6.313 -40.028 47.047 0.00 0.00 WAT1 ATOM 3163 OH2 TIP3 395 15.247 -18.853 -3.187 0.00 0.00 WAT1 ATOM 3164 H1 TIP3 395 15.447 -18.429 -4.022 0.00 0.00 WAT1 ATOM 3165 H2 TIP3 395 15.903 -18.510 -2.580 0.00 0.00 WAT1 ATOM 3166 OH2 TIP3 396 11.848 -22.871 -2.963 0.00 0.00 WAT1 ATOM 3167 H1 TIP3 396 11.497 -23.727 -2.720 0.00 0.00 WAT1 ATOM 3168 H2 TIP3 396 12.574 -22.728 -2.356 0.00 0.00 WAT1 ATOM 3169 OH2 TIP3 397 17.676 -20.191 -9.311 0.00 0.00 WAT1 ATOM 3170 H1 TIP3 397 17.654 -20.006 -8.372 0.00 0.00 WAT1 ATOM 3171 H2 TIP3 397 18.366 -19.622 -9.652 0.00 0.00 WAT1 ATOM 3172 OH2 TIP3 398 17.239 -20.624 -6.389 0.00 0.00 WAT1 ATOM 3173 H1 TIP3 398 16.752 -21.359 -6.760 0.00 0.00 WAT1 ATOM 3174 H2 TIP3 398 17.788 -21.017 -5.711 0.00 0.00 WAT1 ATOM 3175 OH2 TIP3 399 15.690 -24.834 -1.751 0.00 0.00 WAT1 ATOM 3176 H1 TIP3 399 14.824 -24.939 -1.357 0.00 0.00 WAT1 ATOM 3177 H2 TIP3 399 16.066 -24.075 -1.304 0.00 0.00 WAT1 ATOM 3178 OH2 TIP3 400 9.064 -20.798 -3.978 0.00 0.00 WAT1 ATOM 3179 H1 TIP3 400 9.249 -21.132 -3.100 0.00 0.00 WAT1 ATOM 3180 H2 TIP3 400 9.911 -20.489 -4.300 0.00 0.00 WAT1 ATOM 3181 OH2 TIP3 401 11.409 -19.513 -4.734 0.00 0.00 WAT1 ATOM 3182 H1 TIP3 401 12.086 -20.145 -4.974 0.00 0.00 WAT1 ATOM 3183 H2 TIP3 401 11.731 -19.111 -3.926 0.00 0.00 WAT1 ATOM 3184 OH2 TIP3 402 14.265 -19.005 -7.444 0.00 0.00 WAT1 ATOM 3185 H1 TIP3 402 14.083 -18.089 -7.655 0.00 0.00 WAT1 ATOM 3186 H2 TIP3 402 14.441 -19.415 -8.291 0.00 0.00 WAT1 ATOM 3187 OH2 TIP3 403 15.612 -21.570 -3.581 0.00 0.00 WAT1 ATOM 3188 H1 TIP3 403 14.830 -21.756 -4.101 0.00 0.00 WAT1 ATOM 3189 H2 TIP3 403 15.540 -20.641 -3.364 0.00 0.00 WAT1 ATOM 3190 OH2 TIP3 404 11.162 -27.684 5.305 0.00 0.00 WAT1 ATOM 3191 H1 TIP3 404 11.251 -26.740 5.173 0.00 0.00 WAT1 ATOM 3192 H2 TIP3 404 10.523 -27.959 4.647 0.00 0.00 WAT1 ATOM 3193 OH2 TIP3 405 10.095 -28.429 8.724 0.00 0.00 WAT1 ATOM 3194 H1 TIP3 405 10.057 -29.075 9.429 0.00 0.00 WAT1 ATOM 3195 H2 TIP3 405 9.772 -28.895 7.953 0.00 0.00 WAT1 ATOM 3196 OH2 TIP3 406 0.707 -28.542 6.371 0.00 0.00 WAT1 ATOM 3197 H1 TIP3 406 0.921 -29.312 6.898 0.00 0.00 WAT1 ATOM 3198 H2 TIP3 406 1.445 -28.453 5.768 0.00 0.00 WAT1 ATOM 3199 OH2 TIP3 407 8.484 -25.996 9.130 0.00 0.00 WAT1 ATOM 3200 H1 TIP3 407 8.788 -26.682 8.536 0.00 0.00 WAT1 ATOM 3201 H2 TIP3 407 9.206 -25.878 9.748 0.00 0.00 WAT1 ATOM 3202 OH2 TIP3 408 17.147 -34.395 9.991 0.00 0.00 WAT1 ATOM 3203 H1 TIP3 408 17.196 -33.785 10.727 0.00 0.00 WAT1 ATOM 3204 H2 TIP3 408 17.573 -33.934 9.268 0.00 0.00 WAT1 ATOM 3205 OH2 TIP3 409 11.625 -31.602 9.458 0.00 0.00 WAT1 ATOM 3206 H1 TIP3 409 11.768 -32.549 9.478 0.00 0.00 WAT1 ATOM 3207 H2 TIP3 409 11.519 -31.395 8.529 0.00 0.00 WAT1 ATOM 3208 OH2 TIP3 410 4.780 -33.501 6.730 0.00 0.00 WAT1 ATOM 3209 H1 TIP3 410 4.823 -32.641 6.312 0.00 0.00 WAT1 ATOM 3210 H2 TIP3 410 4.322 -34.053 6.097 0.00 0.00 WAT1 ATOM 3211 OH2 TIP3 411 1.400 -31.104 7.492 0.00 0.00 WAT1 ATOM 3212 H1 TIP3 411 2.054 -31.654 7.924 0.00 0.00 WAT1 ATOM 3213 H2 TIP3 411 1.424 -31.378 6.576 0.00 0.00 WAT1 ATOM 3214 OH2 TIP3 412 6.556 -29.554 6.708 0.00 0.00 WAT1 ATOM 3215 H1 TIP3 412 7.172 -30.080 7.217 0.00 0.00 WAT1 ATOM 3216 H2 TIP3 412 5.970 -30.194 6.304 0.00 0.00 WAT1 ATOM 3217 OH2 TIP3 413 6.159 -26.907 11.092 0.00 0.00 WAT1 ATOM 3218 H1 TIP3 413 5.419 -26.309 11.195 0.00 0.00 WAT1 ATOM 3219 H2 TIP3 413 6.873 -26.353 10.776 0.00 0.00 WAT1 ATOM 3220 OH2 TIP3 414 14.266 -34.079 7.112 0.00 0.00 WAT1 ATOM 3221 H1 TIP3 414 14.051 -34.845 7.644 0.00 0.00 WAT1 ATOM 3222 H2 TIP3 414 14.922 -33.607 7.625 0.00 0.00 WAT1 ATOM 3223 OH2 TIP3 415 3.184 -32.691 8.757 0.00 0.00 WAT1 ATOM 3224 H1 TIP3 415 3.797 -32.058 9.130 0.00 0.00 WAT1 ATOM 3225 H2 TIP3 415 3.696 -33.163 8.100 0.00 0.00 WAT1 ATOM 3226 OH2 TIP3 416 7.616 -37.277 8.257 0.00 0.00 WAT1 ATOM 3227 H1 TIP3 416 7.499 -38.226 8.203 0.00 0.00 WAT1 ATOM 3228 H2 TIP3 416 6.761 -36.945 8.530 0.00 0.00 WAT1 ATOM 3229 OH2 TIP3 417 9.883 -28.440 2.757 0.00 0.00 WAT1 ATOM 3230 H1 TIP3 417 9.171 -27.905 2.406 0.00 0.00 WAT1 ATOM 3231 H2 TIP3 417 10.574 -28.384 2.097 0.00 0.00 WAT1 ATOM 3232 OH2 TIP3 418 17.252 -29.062 11.051 0.00 0.00 WAT1 ATOM 3233 H1 TIP3 418 16.600 -28.367 11.140 0.00 0.00 WAT1 ATOM 3234 H2 TIP3 418 17.717 -28.852 10.241 0.00 0.00 WAT1 ATOM 3235 OH2 TIP3 419 13.289 -28.230 3.709 0.00 0.00 WAT1 ATOM 3236 H1 TIP3 419 12.557 -28.002 4.282 0.00 0.00 WAT1 ATOM 3237 H2 TIP3 419 13.736 -28.944 4.164 0.00 0.00 WAT1 ATOM 3238 OH2 TIP3 420 4.934 -27.600 5.592 0.00 0.00 WAT1 ATOM 3239 H1 TIP3 420 4.604 -27.970 4.773 0.00 0.00 WAT1 ATOM 3240 H2 TIP3 420 5.522 -28.270 5.938 0.00 0.00 WAT1 ATOM 3241 OH2 TIP3 421 6.301 -24.172 8.273 0.00 0.00 WAT1 ATOM 3242 H1 TIP3 421 6.206 -24.750 7.516 0.00 0.00 WAT1 ATOM 3243 H2 TIP3 421 7.030 -24.543 8.769 0.00 0.00 WAT1 ATOM 3244 OH2 TIP3 422 5.301 -28.831 9.225 0.00 0.00 WAT1 ATOM 3245 H1 TIP3 422 5.866 -28.710 8.462 0.00 0.00 WAT1 ATOM 3246 H2 TIP3 422 5.620 -28.194 9.864 0.00 0.00 WAT1 ATOM 3247 OH2 TIP3 423 12.160 -29.068 1.394 0.00 0.00 WAT1 ATOM 3248 H1 TIP3 423 12.739 -28.918 2.141 0.00 0.00 WAT1 ATOM 3249 H2 TIP3 423 12.574 -28.597 0.671 0.00 0.00 WAT1 ATOM 3250 OH2 TIP3 424 17.048 -22.952 -0.416 0.00 0.00 WAT1 ATOM 3251 H1 TIP3 424 17.121 -22.013 -0.246 0.00 0.00 WAT1 ATOM 3252 H2 TIP3 424 17.953 -23.257 -0.473 0.00 0.00 WAT1 ATOM 3253 OH2 TIP3 425 -0.232 -23.387 8.880 0.00 0.00 WAT1 ATOM 3254 H1 TIP3 425 0.714 -23.531 8.861 0.00 0.00 WAT1 ATOM 3255 H2 TIP3 425 -0.345 -22.603 9.417 0.00 0.00 WAT1 ATOM 3256 OH2 TIP3 426 9.358 -19.375 3.244 0.00 0.00 WAT1 ATOM 3257 H1 TIP3 426 9.283 -19.496 2.298 0.00 0.00 WAT1 ATOM 3258 H2 TIP3 426 9.391 -18.425 3.363 0.00 0.00 WAT1 ATOM 3259 OH2 TIP3 427 4.885 -36.374 9.035 0.00 0.00 WAT1 ATOM 3260 H1 TIP3 427 4.024 -36.461 8.627 0.00 0.00 WAT1 ATOM 3261 H2 TIP3 427 4.863 -35.518 9.462 0.00 0.00 WAT1 ATOM 3262 OH2 TIP3 428 9.548 -36.652 12.409 0.00 0.00 WAT1 ATOM 3263 H1 TIP3 428 9.968 -37.067 13.162 0.00 0.00 WAT1 ATOM 3264 H2 TIP3 428 8.615 -36.830 12.526 0.00 0.00 WAT1 ATOM 3265 OH2 TIP3 429 13.637 -28.035 -0.976 0.00 0.00 WAT1 ATOM 3266 H1 TIP3 429 13.679 -28.258 -1.906 0.00 0.00 WAT1 ATOM 3267 H2 TIP3 429 14.486 -27.637 -0.786 0.00 0.00 WAT1 ATOM 3268 OH2 TIP3 430 10.777 -29.687 11.344 0.00 0.00 WAT1 ATOM 3269 H1 TIP3 430 11.101 -30.318 10.701 0.00 0.00 WAT1 ATOM 3270 H2 TIP3 430 10.337 -30.222 12.005 0.00 0.00 WAT1 ATOM 3271 OH2 TIP3 431 7.555 -33.760 6.128 0.00 0.00 WAT1 ATOM 3272 H1 TIP3 431 6.644 -33.703 6.417 0.00 0.00 WAT1 ATOM 3273 H2 TIP3 431 8.060 -33.820 6.939 0.00 0.00 WAT1 ATOM 3274 OH2 TIP3 432 11.960 -34.525 9.392 0.00 0.00 WAT1 ATOM 3275 H1 TIP3 432 11.283 -34.394 10.056 0.00 0.00 WAT1 ATOM 3276 H2 TIP3 432 11.474 -34.680 8.582 0.00 0.00 WAT1 ATOM 3277 OH2 TIP3 433 8.875 -30.972 8.015 0.00 0.00 WAT1 ATOM 3278 H1 TIP3 433 9.439 -31.519 7.468 0.00 0.00 WAT1 ATOM 3279 H2 TIP3 433 8.727 -31.494 8.804 0.00 0.00 WAT1 ATOM 3280 OH2 TIP3 434 8.045 -26.371 2.114 0.00 0.00 WAT1 ATOM 3281 H1 TIP3 434 7.301 -26.878 1.791 0.00 0.00 WAT1 ATOM 3282 H2 TIP3 434 7.911 -26.322 3.060 0.00 0.00 WAT1 ATOM 3283 OH2 TIP3 435 15.195 -27.238 10.900 0.00 0.00 WAT1 ATOM 3284 H1 TIP3 435 15.837 -26.781 10.357 0.00 0.00 WAT1 ATOM 3285 H2 TIP3 435 14.365 -27.125 10.438 0.00 0.00 WAT1 ATOM 3286 OH2 TIP3 436 3.170 -27.076 7.883 0.00 0.00 WAT1 ATOM 3287 H1 TIP3 436 3.915 -27.078 7.282 0.00 0.00 WAT1 ATOM 3288 H2 TIP3 436 3.248 -27.900 8.365 0.00 0.00 WAT1 ATOM 3289 OH2 TIP3 437 10.171 -24.912 1.139 0.00 0.00 WAT1 ATOM 3290 H1 TIP3 437 9.876 -24.086 1.521 0.00 0.00 WAT1 ATOM 3291 H2 TIP3 437 9.468 -25.532 1.335 0.00 0.00 WAT1 ATOM 3292 OH2 TIP3 438 13.002 -27.886 9.155 0.00 0.00 WAT1 ATOM 3293 H1 TIP3 438 12.074 -28.118 9.128 0.00 0.00 WAT1 ATOM 3294 H2 TIP3 438 13.453 -28.663 8.825 0.00 0.00 WAT1 ATOM 3295 OH2 TIP3 439 5.545 -23.558 5.288 0.00 0.00 WAT1 ATOM 3296 H1 TIP3 439 6.072 -22.785 5.087 0.00 0.00 WAT1 ATOM 3297 H2 TIP3 439 4.665 -23.333 4.986 0.00 0.00 WAT1 ATOM 3298 OH2 TIP3 440 6.972 -25.895 4.864 0.00 0.00 WAT1 ATOM 3299 H1 TIP3 440 6.731 -24.970 4.906 0.00 0.00 WAT1 ATOM 3300 H2 TIP3 440 6.232 -26.354 5.260 0.00 0.00 WAT1 ATOM 3301 OH2 TIP3 441 7.487 -21.746 11.179 0.00 0.00 WAT1 ATOM 3302 H1 TIP3 441 7.850 -20.891 10.946 0.00 0.00 WAT1 ATOM 3303 H2 TIP3 441 8.019 -22.038 11.920 0.00 0.00 WAT1 ATOM 3304 OH2 TIP3 442 5.656 -20.873 4.409 0.00 0.00 WAT1 ATOM 3305 H1 TIP3 442 4.706 -20.768 4.461 0.00 0.00 WAT1 ATOM 3306 H2 TIP3 442 6.007 -20.053 4.754 0.00 0.00 WAT1 ATOM 3307 OH2 TIP3 443 13.234 -24.718 -0.046 0.00 0.00 WAT1 ATOM 3308 H1 TIP3 443 13.587 -25.098 0.758 0.00 0.00 WAT1 ATOM 3309 H2 TIP3 443 12.285 -24.811 0.040 0.00 0.00 WAT1 ATOM 3310 OH2 TIP3 444 17.738 -20.238 0.155 0.00 0.00 WAT1 ATOM 3311 H1 TIP3 444 18.481 -19.652 0.015 0.00 0.00 WAT1 ATOM 3312 H2 TIP3 444 17.043 -19.670 0.488 0.00 0.00 WAT1 ATOM 3313 OH2 TIP3 445 6.262 -24.036 0.857 0.00 0.00 WAT1 ATOM 3314 H1 TIP3 445 6.409 -24.556 1.647 0.00 0.00 WAT1 ATOM 3315 H2 TIP3 445 6.259 -23.129 1.163 0.00 0.00 WAT1 ATOM 3316 OH2 TIP3 446 10.547 -34.121 11.646 0.00 0.00 WAT1 ATOM 3317 H1 TIP3 446 11.245 -34.047 12.296 0.00 0.00 WAT1 ATOM 3318 H2 TIP3 446 10.166 -34.985 11.801 0.00 0.00 WAT1 ATOM 3319 OH2 TIP3 447 9.000 -22.338 1.606 0.00 0.00 WAT1 ATOM 3320 H1 TIP3 447 8.183 -21.841 1.659 0.00 0.00 WAT1 ATOM 3321 H2 TIP3 447 9.529 -21.863 0.966 0.00 0.00 WAT1 ATOM 3322 OH2 TIP3 448 6.338 -21.295 1.588 0.00 0.00 WAT1 ATOM 3323 H1 TIP3 448 6.499 -20.495 1.087 0.00 0.00 WAT1 ATOM 3324 H2 TIP3 448 6.141 -20.988 2.473 0.00 0.00 WAT1 ATOM 3325 OH2 TIP3 449 13.873 -30.097 7.694 0.00 0.00 WAT1 ATOM 3326 H1 TIP3 449 13.076 -30.512 7.365 0.00 0.00 WAT1 ATOM 3327 H2 TIP3 449 14.318 -30.788 8.185 0.00 0.00 WAT1 ATOM 3328 OH2 TIP3 450 2.455 -36.723 8.053 0.00 0.00 WAT1 ATOM 3329 H1 TIP3 450 2.226 -36.664 7.126 0.00 0.00 WAT1 ATOM 3330 H2 TIP3 450 2.012 -37.515 8.360 0.00 0.00 WAT1 ATOM 3331 OH2 TIP3 451 9.363 -21.743 -1.461 0.00 0.00 WAT1 ATOM 3332 H1 TIP3 451 8.719 -22.374 -1.139 0.00 0.00 WAT1 ATOM 3333 H2 TIP3 451 10.125 -22.274 -1.693 0.00 0.00 WAT1 ATOM 3334 OH2 TIP3 452 13.967 -21.926 -1.227 0.00 0.00 WAT1 ATOM 3335 H1 TIP3 452 14.250 -22.720 -0.774 0.00 0.00 WAT1 ATOM 3336 H2 TIP3 452 14.707 -21.693 -1.788 0.00 0.00 WAT1 ATOM 3337 OH2 TIP3 453 10.274 -24.969 -1.634 0.00 0.00 WAT1 ATOM 3338 H1 TIP3 453 10.006 -24.789 -0.733 0.00 0.00 WAT1 ATOM 3339 H2 TIP3 453 10.068 -25.895 -1.765 0.00 0.00 WAT1 ATOM 3340 OH2 TIP3 454 16.532 -27.446 -1.356 0.00 0.00 WAT1 ATOM 3341 H1 TIP3 454 16.259 -27.871 -2.169 0.00 0.00 WAT1 ATOM 3342 H2 TIP3 454 16.572 -26.515 -1.573 0.00 0.00 WAT1 ATOM 3343 OH2 TIP3 455 7.040 -19.110 0.200 0.00 0.00 WAT1 ATOM 3344 H1 TIP3 455 7.973 -18.952 0.344 0.00 0.00 WAT1 ATOM 3345 H2 TIP3 455 6.776 -18.435 -0.425 0.00 0.00 WAT1 ATOM 3346 OH2 TIP3 456 0.127 -21.000 6.565 0.00 0.00 WAT1 ATOM 3347 H1 TIP3 456 -0.207 -21.881 6.737 0.00 0.00 WAT1 ATOM 3348 H2 TIP3 456 0.349 -20.655 7.429 0.00 0.00 WAT1 ATOM 3349 OH2 TIP3 457 16.991 -26.577 2.619 0.00 0.00 WAT1 ATOM 3350 H1 TIP3 457 17.841 -26.156 2.747 0.00 0.00 WAT1 ATOM 3351 H2 TIP3 457 16.996 -27.317 3.227 0.00 0.00 WAT1 ATOM 3352 OH2 TIP3 458 17.385 -28.524 4.443 0.00 0.00 WAT1 ATOM 3353 H1 TIP3 458 16.659 -29.003 4.841 0.00 0.00 WAT1 ATOM 3354 H2 TIP3 458 17.966 -28.318 5.175 0.00 0.00 WAT1 ATOM 3355 OH2 TIP3 459 17.144 -25.739 9.391 0.00 0.00 WAT1 ATOM 3356 H1 TIP3 459 17.978 -26.117 9.110 0.00 0.00 WAT1 ATOM 3357 H2 TIP3 459 17.256 -24.796 9.272 0.00 0.00 WAT1 ATOM 3358 OH2 TIP3 460 17.653 -28.623 0.834 0.00 0.00 WAT1 ATOM 3359 H1 TIP3 460 17.132 -28.266 0.115 0.00 0.00 WAT1 ATOM 3360 H2 TIP3 460 17.620 -27.948 1.512 0.00 0.00 WAT1 ATOM 3361 OH2 TIP3 461 15.172 -30.003 5.006 0.00 0.00 WAT1 ATOM 3362 H1 TIP3 461 15.022 -30.948 4.986 0.00 0.00 WAT1 ATOM 3363 H2 TIP3 461 14.818 -29.722 5.850 0.00 0.00 WAT1 ATOM 3364 OH2 TIP3 462 15.494 -31.839 8.904 0.00 0.00 WAT1 ATOM 3365 H1 TIP3 462 16.427 -31.627 8.870 0.00 0.00 WAT1 ATOM 3366 H2 TIP3 462 15.259 -31.737 9.827 0.00 0.00 WAT1 ATOM 3367 OH2 TIP3 463 1.026 -34.342 8.048 0.00 0.00 WAT1 ATOM 3368 H1 TIP3 463 1.471 -35.134 8.350 0.00 0.00 WAT1 ATOM 3369 H2 TIP3 463 1.492 -33.626 8.479 0.00 0.00 WAT1 ATOM 3370 OH2 TIP3 464 -0.670 -31.343 9.117 0.00 0.00 WAT1 ATOM 3371 H1 TIP3 464 -0.178 -31.564 8.327 0.00 0.00 WAT1 ATOM 3372 H2 TIP3 464 -0.308 -30.502 9.398 0.00 0.00 WAT1 ATOM 3373 OH2 TIP3 465 -0.393 -36.347 11.516 0.00 0.00 WAT1 ATOM 3374 H1 TIP3 465 -1.058 -36.593 12.159 0.00 0.00 WAT1 ATOM 3375 H2 TIP3 465 -0.836 -35.725 10.939 0.00 0.00 WAT1 ATOM 3376 OH2 TIP3 466 4.753 -22.197 11.919 0.00 0.00 WAT1 ATOM 3377 H1 TIP3 466 4.328 -21.388 11.636 0.00 0.00 WAT1 ATOM 3378 H2 TIP3 466 5.658 -22.112 11.617 0.00 0.00 WAT1 ATOM 3379 OH2 TIP3 467 2.155 -18.941 11.966 0.00 0.00 WAT1 ATOM 3380 H1 TIP3 467 1.435 -18.501 11.515 0.00 0.00 WAT1 ATOM 3381 H2 TIP3 467 1.789 -19.192 12.815 0.00 0.00 WAT1 ATOM 3382 OH2 TIP3 468 4.622 -19.341 10.996 0.00 0.00 WAT1 ATOM 3383 H1 TIP3 468 3.757 -19.269 11.400 0.00 0.00 WAT1 ATOM 3384 H2 TIP3 468 4.567 -18.794 10.212 0.00 0.00 WAT1 ATOM 3385 OH2 TIP3 469 1.570 -20.318 8.877 0.00 0.00 WAT1 ATOM 3386 H1 TIP3 469 1.551 -20.743 9.734 0.00 0.00 WAT1 ATOM 3387 H2 TIP3 469 2.375 -20.636 8.468 0.00 0.00 WAT1 ATOM 3388 OH2 TIP3 470 3.711 -21.608 7.532 0.00 0.00 WAT1 ATOM 3389 H1 TIP3 470 3.492 -22.524 7.701 0.00 0.00 WAT1 ATOM 3390 H2 TIP3 470 4.535 -21.468 7.998 0.00 0.00 WAT1 ATOM 3391 OH2 TIP3 471 6.248 -21.138 8.380 0.00 0.00 WAT1 ATOM 3392 H1 TIP3 471 6.461 -22.026 8.093 0.00 0.00 WAT1 ATOM 3393 H2 TIP3 471 6.313 -21.172 9.335 0.00 0.00 WAT1 ATOM 3394 OH2 TIP3 472 9.757 -35.474 7.525 0.00 0.00 WAT1 ATOM 3395 H1 TIP3 472 9.082 -36.103 7.780 0.00 0.00 WAT1 ATOM 3396 H2 TIP3 472 10.321 -35.958 6.922 0.00 0.00 WAT1 ATOM 3397 OH2 TIP3 473 14.899 -37.367 7.637 0.00 0.00 WAT1 ATOM 3398 H1 TIP3 473 15.503 -36.819 7.136 0.00 0.00 WAT1 ATOM 3399 H2 TIP3 473 14.030 -37.047 7.397 0.00 0.00 WAT1 ATOM 3400 OH2 TIP3 474 16.626 -36.228 5.971 0.00 0.00 WAT1 ATOM 3401 H1 TIP3 474 17.238 -36.742 5.444 0.00 0.00 WAT1 ATOM 3402 H2 TIP3 474 17.009 -35.350 5.994 0.00 0.00 WAT1 ATOM 3403 OH2 TIP3 475 12.220 -36.883 6.809 0.00 0.00 WAT1 ATOM 3404 H1 TIP3 475 12.296 -36.788 5.860 0.00 0.00 WAT1 ATOM 3405 H2 TIP3 475 11.944 -37.791 6.938 0.00 0.00 WAT1 ATOM 3406 OH2 TIP3 476 9.685 -19.884 0.445 0.00 0.00 WAT1 ATOM 3407 H1 TIP3 476 10.551 -19.518 0.267 0.00 0.00 WAT1 ATOM 3408 H2 TIP3 476 9.438 -20.324 -0.368 0.00 0.00 WAT1 ATOM 3409 OH2 TIP3 477 15.690 -24.834 35.961 0.00 0.00 WAT1 ATOM 3410 H1 TIP3 477 14.824 -24.939 36.355 0.00 0.00 WAT1 ATOM 3411 H2 TIP3 477 16.066 -24.075 36.408 0.00 0.00 WAT1 ATOM 3412 OH2 TIP3 478 10.095 -28.429 46.436 0.00 0.00 WAT1 ATOM 3413 H1 TIP3 478 10.057 -29.075 47.141 0.00 0.00 WAT1 ATOM 3414 H2 TIP3 478 9.772 -28.895 45.665 0.00 0.00 WAT1 ATOM 3415 OH2 TIP3 479 -0.003 -30.704 41.957 0.00 0.00 WAT1 ATOM 3416 H1 TIP3 479 -0.451 -29.858 41.939 0.00 0.00 WAT1 ATOM 3417 H2 TIP3 479 -0.564 -31.284 41.442 0.00 0.00 WAT1 ATOM 3418 OH2 TIP3 480 0.707 -28.542 44.083 0.00 0.00 WAT1 ATOM 3419 H1 TIP3 480 0.921 -29.312 44.610 0.00 0.00 WAT1 ATOM 3420 H2 TIP3 480 1.445 -28.453 43.480 0.00 0.00 WAT1 ATOM 3421 OH2 TIP3 481 8.484 -25.996 46.842 0.00 0.00 WAT1 ATOM 3422 H1 TIP3 481 8.788 -26.682 46.248 0.00 0.00 WAT1 ATOM 3423 H2 TIP3 481 9.206 -25.878 47.460 0.00 0.00 WAT1 ATOM 3424 OH2 TIP3 482 4.780 -33.501 44.442 0.00 0.00 WAT1 ATOM 3425 H1 TIP3 482 4.823 -32.641 44.024 0.00 0.00 WAT1 ATOM 3426 H2 TIP3 482 4.322 -34.053 43.809 0.00 0.00 WAT1 ATOM 3427 OH2 TIP3 483 1.400 -31.104 45.204 0.00 0.00 WAT1 ATOM 3428 H1 TIP3 483 2.054 -31.654 45.636 0.00 0.00 WAT1 ATOM 3429 H2 TIP3 483 1.424 -31.378 44.288 0.00 0.00 WAT1 ATOM 3430 OH2 TIP3 484 6.556 -29.554 44.420 0.00 0.00 WAT1 ATOM 3431 H1 TIP3 484 7.172 -30.080 44.929 0.00 0.00 WAT1 ATOM 3432 H2 TIP3 484 5.970 -30.194 44.016 0.00 0.00 WAT1 ATOM 3433 OH2 TIP3 485 17.539 -32.917 49.939 0.00 0.00 WAT1 ATOM 3434 H1 TIP3 485 16.850 -32.259 49.844 0.00 0.00 WAT1 ATOM 3435 H2 TIP3 485 17.554 -33.114 50.876 0.00 0.00 WAT1 ATOM 3436 OH2 TIP3 486 10.959 -25.083 42.060 0.00 0.00 WAT1 ATOM 3437 H1 TIP3 486 10.663 -25.405 41.209 0.00 0.00 WAT1 ATOM 3438 H2 TIP3 486 10.635 -24.183 42.102 0.00 0.00 WAT1 ATOM 3439 OH2 TIP3 487 3.184 -32.691 46.469 0.00 0.00 WAT1 ATOM 3440 H1 TIP3 487 3.797 -32.058 46.842 0.00 0.00 WAT1 ATOM 3441 H2 TIP3 487 3.696 -33.163 45.812 0.00 0.00 WAT1 ATOM 3442 OH2 TIP3 488 0.688 -25.272 40.373 0.00 0.00 WAT1 ATOM 3443 H1 TIP3 488 0.416 -25.043 39.484 0.00 0.00 WAT1 ATOM 3444 H2 TIP3 488 0.733 -24.434 40.833 0.00 0.00 WAT1 ATOM 3445 OH2 TIP3 489 14.313 -23.650 47.086 0.00 0.00 WAT1 ATOM 3446 H1 TIP3 489 13.371 -23.592 47.247 0.00 0.00 WAT1 ATOM 3447 H2 TIP3 489 14.589 -22.744 46.949 0.00 0.00 WAT1 ATOM 3448 OH2 TIP3 490 14.613 -35.364 48.503 0.00 0.00 WAT1 ATOM 3449 H1 TIP3 490 13.877 -34.753 48.465 0.00 0.00 WAT1 ATOM 3450 H2 TIP3 490 15.297 -34.949 47.977 0.00 0.00 WAT1 ATOM 3451 OH2 TIP3 491 7.616 -37.277 45.969 0.00 0.00 WAT1 ATOM 3452 H1 TIP3 491 7.499 -38.226 45.915 0.00 0.00 WAT1 ATOM 3453 H2 TIP3 491 6.761 -36.945 46.242 0.00 0.00 WAT1 ATOM 3454 OH2 TIP3 492 12.565 -21.869 43.711 0.00 0.00 WAT1 ATOM 3455 H1 TIP3 492 12.990 -22.576 43.226 0.00 0.00 WAT1 ATOM 3456 H2 TIP3 492 12.882 -21.068 43.294 0.00 0.00 WAT1 ATOM 3457 OH2 TIP3 493 13.724 -23.968 42.220 0.00 0.00 WAT1 ATOM 3458 H1 TIP3 493 13.467 -24.658 41.608 0.00 0.00 WAT1 ATOM 3459 H2 TIP3 493 13.795 -24.411 43.065 0.00 0.00 WAT1 ATOM 3460 OH2 TIP3 494 15.410 -25.402 50.697 0.00 0.00 WAT1 ATOM 3461 H1 TIP3 494 15.550 -25.993 49.958 0.00 0.00 WAT1 ATOM 3462 H2 TIP3 494 15.578 -24.529 50.341 0.00 0.00 WAT1 ATOM 3463 OH2 TIP3 495 17.252 -29.062 48.763 0.00 0.00 WAT1 ATOM 3464 H1 TIP3 495 16.600 -28.367 48.852 0.00 0.00 WAT1 ATOM 3465 H2 TIP3 495 17.717 -28.852 47.953 0.00 0.00 WAT1 ATOM 3466 OH2 TIP3 496 13.186 -30.056 50.489 0.00 0.00 WAT1 ATOM 3467 H1 TIP3 496 13.266 -29.293 51.061 0.00 0.00 WAT1 ATOM 3468 H2 TIP3 496 12.585 -29.777 49.798 0.00 0.00 WAT1 ATOM 3469 OH2 TIP3 497 4.934 -27.600 43.304 0.00 0.00 WAT1 ATOM 3470 H1 TIP3 497 4.604 -27.970 42.485 0.00 0.00 WAT1 ATOM 3471 H2 TIP3 497 5.522 -28.270 43.650 0.00 0.00 WAT1 ATOM 3472 OH2 TIP3 498 6.301 -24.172 45.985 0.00 0.00 WAT1 ATOM 3473 H1 TIP3 498 6.206 -24.750 45.228 0.00 0.00 WAT1 ATOM 3474 H2 TIP3 498 7.030 -24.543 46.481 0.00 0.00 WAT1 ATOM 3475 OH2 TIP3 499 5.301 -28.831 46.937 0.00 0.00 WAT1 ATOM 3476 H1 TIP3 499 5.866 -28.710 46.174 0.00 0.00 WAT1 ATOM 3477 H2 TIP3 499 5.620 -28.194 47.576 0.00 0.00 WAT1 ATOM 3478 OH2 TIP3 500 11.610 -23.328 47.671 0.00 0.00 WAT1 ATOM 3479 H1 TIP3 500 11.369 -22.666 48.319 0.00 0.00 WAT1 ATOM 3480 H2 TIP3 500 11.412 -24.162 48.096 0.00 0.00 WAT1 ATOM 3481 OH2 TIP3 501 9.886 -22.331 42.541 0.00 0.00 WAT1 ATOM 3482 H1 TIP3 501 10.360 -22.036 43.319 0.00 0.00 WAT1 ATOM 3483 H2 TIP3 501 9.323 -21.593 42.308 0.00 0.00 WAT1 ATOM 3484 OH2 TIP3 502 3.924 -28.530 40.893 0.00 0.00 WAT1 ATOM 3485 H1 TIP3 502 3.632 -27.762 40.402 0.00 0.00 WAT1 ATOM 3486 H2 TIP3 502 3.250 -29.190 40.730 0.00 0.00 WAT1 ATOM 3487 OH2 TIP3 503 9.358 -19.375 40.956 0.00 0.00 WAT1 ATOM 3488 H1 TIP3 503 9.283 -19.496 40.010 0.00 0.00 WAT1 ATOM 3489 H2 TIP3 503 9.391 -18.425 41.075 0.00 0.00 WAT1 ATOM 3490 OH2 TIP3 504 12.460 -20.221 37.959 0.00 0.00 WAT1 ATOM 3491 H1 TIP3 504 12.835 -20.965 37.488 0.00 0.00 WAT1 ATOM 3492 H2 TIP3 504 12.464 -20.491 38.877 0.00 0.00 WAT1 ATOM 3493 OH2 TIP3 505 12.129 -20.295 40.708 0.00 0.00 WAT1 ATOM 3494 H1 TIP3 505 11.194 -20.195 40.887 0.00 0.00 WAT1 ATOM 3495 H2 TIP3 505 12.409 -21.004 41.286 0.00 0.00 WAT1 ATOM 3496 OH2 TIP3 506 15.117 -31.228 52.754 0.00 0.00 WAT1 ATOM 3497 H1 TIP3 506 14.710 -30.747 52.034 0.00 0.00 WAT1 ATOM 3498 H2 TIP3 506 15.158 -32.133 52.447 0.00 0.00 WAT1 ATOM 3499 OH2 TIP3 507 4.885 -36.374 46.747 0.00 0.00 WAT1 ATOM 3500 H1 TIP3 507 4.024 -36.461 46.339 0.00 0.00 WAT1 ATOM 3501 H2 TIP3 507 4.863 -35.518 47.174 0.00 0.00 WAT1 ATOM 3502 OH2 TIP3 508 12.874 -32.896 50.975 0.00 0.00 WAT1 ATOM 3503 H1 TIP3 508 12.360 -33.022 51.772 0.00 0.00 WAT1 ATOM 3504 H2 TIP3 508 12.719 -31.984 50.730 0.00 0.00 WAT1 ATOM 3505 OH2 TIP3 509 4.973 -31.187 42.754 0.00 0.00 WAT1 ATOM 3506 H1 TIP3 509 4.080 -31.528 42.695 0.00 0.00 WAT1 ATOM 3507 H2 TIP3 509 5.424 -31.564 41.998 0.00 0.00 WAT1 ATOM 3508 OH2 TIP3 510 -0.666 -33.972 43.559 0.00 0.00 WAT1 ATOM 3509 H1 TIP3 510 -0.035 -34.001 44.279 0.00 0.00 WAT1 ATOM 3510 H2 TIP3 510 -0.216 -34.397 42.829 0.00 0.00 WAT1 ATOM 3511 OH2 TIP3 511 10.777 -29.687 49.056 0.00 0.00 WAT1 ATOM 3512 H1 TIP3 511 11.101 -30.318 48.413 0.00 0.00 WAT1 ATOM 3513 H2 TIP3 511 10.337 -30.222 49.717 0.00 0.00 WAT1 ATOM 3514 OH2 TIP3 512 2.383 -32.131 42.667 0.00 0.00 WAT1 ATOM 3515 H1 TIP3 512 1.494 -32.031 42.327 0.00 0.00 WAT1 ATOM 3516 H2 TIP3 512 2.679 -32.973 42.321 0.00 0.00 WAT1 ATOM 3517 OH2 TIP3 513 11.960 -34.525 47.104 0.00 0.00 WAT1 ATOM 3518 H1 TIP3 513 11.283 -34.394 47.768 0.00 0.00 WAT1 ATOM 3519 H2 TIP3 513 11.474 -34.680 46.294 0.00 0.00 WAT1 ATOM 3520 OH2 TIP3 514 8.875 -30.972 45.727 0.00 0.00 WAT1 ATOM 3521 H1 TIP3 514 9.439 -31.519 45.180 0.00 0.00 WAT1 ATOM 3522 H2 TIP3 514 8.727 -31.494 46.516 0.00 0.00 WAT1 ATOM 3523 OH2 TIP3 515 7.501 -32.584 48.141 0.00 0.00 WAT1 ATOM 3524 H1 TIP3 515 6.666 -32.130 48.251 0.00 0.00 WAT1 ATOM 3525 H2 TIP3 515 8.025 -32.308 48.893 0.00 0.00 WAT1 ATOM 3526 OH2 TIP3 516 15.195 -27.238 48.612 0.00 0.00 WAT1 ATOM 3527 H1 TIP3 516 15.837 -26.781 48.069 0.00 0.00 WAT1 ATOM 3528 H2 TIP3 516 14.365 -27.125 48.150 0.00 0.00 WAT1 ATOM 3529 OH2 TIP3 517 15.842 -22.694 39.845 0.00 0.00 WAT1 ATOM 3530 H1 TIP3 517 15.469 -23.520 40.155 0.00 0.00 WAT1 ATOM 3531 H2 TIP3 517 16.119 -22.877 38.948 0.00 0.00 WAT1 ATOM 3532 OH2 TIP3 518 5.545 -23.558 43.000 0.00 0.00 WAT1 ATOM 3533 H1 TIP3 518 6.072 -22.785 42.799 0.00 0.00 WAT1 ATOM 3534 H2 TIP3 518 4.665 -23.333 42.698 0.00 0.00 WAT1 ATOM 3535 OH2 TIP3 519 5.656 -20.873 42.121 0.00 0.00 WAT1 ATOM 3536 H1 TIP3 519 4.706 -20.768 42.173 0.00 0.00 WAT1 ATOM 3537 H2 TIP3 519 6.007 -20.053 42.466 0.00 0.00 WAT1 ATOM 3538 OH2 TIP3 520 11.031 -25.647 48.592 0.00 0.00 WAT1 ATOM 3539 H1 TIP3 520 10.605 -25.874 49.418 0.00 0.00 WAT1 ATOM 3540 H2 TIP3 520 11.612 -26.385 48.409 0.00 0.00 WAT1 ATOM 3541 OH2 TIP3 521 13.234 -24.718 37.666 0.00 0.00 WAT1 ATOM 3542 H1 TIP3 521 13.587 -25.098 38.470 0.00 0.00 WAT1 ATOM 3543 H2 TIP3 521 12.285 -24.811 37.752 0.00 0.00 WAT1 ATOM 3544 OH2 TIP3 522 14.100 -26.045 39.892 0.00 0.00 WAT1 ATOM 3545 H1 TIP3 522 13.823 -26.773 40.448 0.00 0.00 WAT1 ATOM 3546 H2 TIP3 522 15.027 -25.926 40.098 0.00 0.00 WAT1 ATOM 3547 OH2 TIP3 523 2.715 -26.783 39.079 0.00 0.00 WAT1 ATOM 3548 H1 TIP3 523 2.029 -26.431 39.646 0.00 0.00 WAT1 ATOM 3549 H2 TIP3 523 3.238 -26.020 38.833 0.00 0.00 WAT1 ATOM 3550 OH2 TIP3 524 10.547 -34.121 49.358 0.00 0.00 WAT1 ATOM 3551 H1 TIP3 524 11.245 -34.047 50.008 0.00 0.00 WAT1 ATOM 3552 H2 TIP3 524 10.166 -34.985 49.513 0.00 0.00 WAT1 ATOM 3553 OH2 TIP3 525 9.000 -22.338 39.318 0.00 0.00 WAT1 ATOM 3554 H1 TIP3 525 8.183 -21.841 39.371 0.00 0.00 WAT1 ATOM 3555 H2 TIP3 525 9.529 -21.863 38.678 0.00 0.00 WAT1 ATOM 3556 OH2 TIP3 526 9.067 -31.755 50.475 0.00 0.00 WAT1 ATOM 3557 H1 TIP3 526 9.186 -31.181 51.232 0.00 0.00 WAT1 ATOM 3558 H2 TIP3 526 9.722 -32.443 50.590 0.00 0.00 WAT1 ATOM 3559 OH2 TIP3 527 6.338 -21.295 39.300 0.00 0.00 WAT1 ATOM 3560 H1 TIP3 527 6.499 -20.495 38.799 0.00 0.00 WAT1 ATOM 3561 H2 TIP3 527 6.141 -20.988 40.185 0.00 0.00 WAT1 ATOM 3562 OH2 TIP3 528 15.271 -33.848 51.310 0.00 0.00 WAT1 ATOM 3563 H1 TIP3 528 14.355 -33.585 51.222 0.00 0.00 WAT1 ATOM 3564 H2 TIP3 528 15.607 -33.851 50.413 0.00 0.00 WAT1 ATOM 3565 OH2 TIP3 529 2.455 -36.723 45.765 0.00 0.00 WAT1 ATOM 3566 H1 TIP3 529 2.226 -36.664 44.838 0.00 0.00 WAT1 ATOM 3567 H2 TIP3 529 2.012 -37.515 46.072 0.00 0.00 WAT1 ATOM 3568 OH2 TIP3 530 1.385 -22.783 41.926 0.00 0.00 WAT1 ATOM 3569 H1 TIP3 530 0.553 -22.310 41.953 0.00 0.00 WAT1 ATOM 3570 H2 TIP3 530 1.931 -22.273 41.327 0.00 0.00 WAT1 ATOM 3571 OH2 TIP3 531 12.971 -26.474 51.026 0.00 0.00 WAT1 ATOM 3572 H1 TIP3 531 13.716 -25.886 50.906 0.00 0.00 WAT1 ATOM 3573 H2 TIP3 531 12.214 -25.892 51.089 0.00 0.00 WAT1 ATOM 3574 OH2 TIP3 532 7.040 -19.110 37.912 0.00 0.00 WAT1 ATOM 3575 H1 TIP3 532 7.973 -18.952 38.056 0.00 0.00 WAT1 ATOM 3576 H2 TIP3 532 6.776 -18.435 37.287 0.00 0.00 WAT1 ATOM 3577 OH2 TIP3 533 0.608 -24.474 37.395 0.00 0.00 WAT1 ATOM 3578 H1 TIP3 533 1.522 -24.395 37.668 0.00 0.00 WAT1 ATOM 3579 H2 TIP3 533 0.615 -25.161 36.728 0.00 0.00 WAT1 ATOM 3580 OH2 TIP3 534 16.991 -26.577 40.331 0.00 0.00 WAT1 ATOM 3581 H1 TIP3 534 17.841 -26.156 40.459 0.00 0.00 WAT1 ATOM 3582 H2 TIP3 534 16.996 -27.317 40.939 0.00 0.00 WAT1 ATOM 3583 OH2 TIP3 535 17.144 -25.739 47.103 0.00 0.00 WAT1 ATOM 3584 H1 TIP3 535 17.978 -26.117 46.822 0.00 0.00 WAT1 ATOM 3585 H2 TIP3 535 17.256 -24.796 46.984 0.00 0.00 WAT1 ATOM 3586 OH2 TIP3 536 15.631 -22.861 49.410 0.00 0.00 WAT1 ATOM 3587 H1 TIP3 536 14.983 -22.536 50.035 0.00 0.00 WAT1 ATOM 3588 H2 TIP3 536 15.113 -23.301 48.735 0.00 0.00 WAT1 ATOM 3589 OH2 TIP3 537 17.653 -28.623 38.546 0.00 0.00 WAT1 ATOM 3590 H1 TIP3 537 17.132 -28.266 37.827 0.00 0.00 WAT1 ATOM 3591 H2 TIP3 537 17.620 -27.948 39.224 0.00 0.00 WAT1 ATOM 3592 OH2 TIP3 538 16.028 -28.033 52.357 0.00 0.00 WAT1 ATOM 3593 H1 TIP3 538 16.611 -28.767 52.548 0.00 0.00 WAT1 ATOM 3594 H2 TIP3 538 16.592 -27.261 52.403 0.00 0.00 WAT1 ATOM 3595 OH2 TIP3 539 17.525 -30.130 53.041 0.00 0.00 WAT1 ATOM 3596 H1 TIP3 539 16.662 -30.509 52.876 0.00 0.00 WAT1 ATOM 3597 H2 TIP3 539 18.129 -30.869 52.967 0.00 0.00 WAT1 ATOM 3598 OH2 TIP3 540 15.523 -31.102 49.392 0.00 0.00 WAT1 ATOM 3599 H1 TIP3 540 14.680 -30.834 49.758 0.00 0.00 WAT1 ATOM 3600 H2 TIP3 540 15.966 -30.280 49.181 0.00 0.00 WAT1 ATOM 3601 OH2 TIP3 541 1.026 -34.342 45.760 0.00 0.00 WAT1 ATOM 3602 H1 TIP3 541 1.471 -35.134 46.062 0.00 0.00 WAT1 ATOM 3603 H2 TIP3 541 1.492 -33.626 46.191 0.00 0.00 WAT1 ATOM 3604 OH2 TIP3 542 17.326 -35.013 53.095 0.00 0.00 WAT1 ATOM 3605 H1 TIP3 542 16.409 -34.742 53.059 0.00 0.00 WAT1 ATOM 3606 H2 TIP3 542 17.449 -35.548 52.311 0.00 0.00 WAT1 ATOM 3607 OH2 TIP3 543 14.414 -20.101 42.829 0.00 0.00 WAT1 ATOM 3608 H1 TIP3 543 15.067 -20.448 42.221 0.00 0.00 WAT1 ATOM 3609 H2 TIP3 543 14.925 -19.612 43.475 0.00 0.00 WAT1 ATOM 3610 OH2 TIP3 544 16.327 -36.923 50.914 0.00 0.00 WAT1 ATOM 3611 H1 TIP3 544 15.514 -36.598 50.526 0.00 0.00 WAT1 ATOM 3612 H2 TIP3 544 16.560 -37.683 50.381 0.00 0.00 WAT1 ATOM 3613 OH2 TIP3 545 9.757 -35.474 45.237 0.00 0.00 WAT1 ATOM 3614 H1 TIP3 545 9.082 -36.103 45.492 0.00 0.00 WAT1 ATOM 3615 H2 TIP3 545 10.321 -35.958 44.634 0.00 0.00 WAT1 ATOM 3616 OH2 TIP3 546 14.899 -37.367 45.349 0.00 0.00 WAT1 ATOM 3617 H1 TIP3 546 15.503 -36.819 44.848 0.00 0.00 WAT1 ATOM 3618 H2 TIP3 546 14.030 -37.047 45.109 0.00 0.00 WAT1 ATOM 3619 OH2 TIP3 547 12.220 -36.883 44.521 0.00 0.00 WAT1 ATOM 3620 H1 TIP3 547 12.296 -36.788 43.572 0.00 0.00 WAT1 ATOM 3621 H2 TIP3 547 11.944 -37.791 44.650 0.00 0.00 WAT1 ATOM 3622 OH2 TIP3 548 0.821 -21.094 39.760 0.00 0.00 WAT1 ATOM 3623 H1 TIP3 548 0.136 -21.132 39.092 0.00 0.00 WAT1 ATOM 3624 H2 TIP3 548 0.824 -20.181 40.048 0.00 0.00 WAT1 ATOM 3625 OH2 TIP3 549 9.685 -19.884 38.157 0.00 0.00 WAT1 ATOM 3626 H1 TIP3 549 10.551 -19.518 37.979 0.00 0.00 WAT1 ATOM 3627 H2 TIP3 549 9.438 -20.324 37.344 0.00 0.00 WAT1 ATOM 3628 OH2 TIP3 550 16.394 -20.321 40.837 0.00 0.00 WAT1 ATOM 3629 H1 TIP3 550 16.200 -21.069 40.272 0.00 0.00 WAT1 ATOM 3630 H2 TIP3 550 16.355 -19.563 40.253 0.00 0.00 WAT1 ATOM 3631 OH2 TIP3 551 2.639 -20.174 36.785 0.00 0.00 WAT1 ATOM 3632 H1 TIP3 551 2.371 -19.887 37.658 0.00 0.00 WAT1 ATOM 3633 H2 TIP3 551 3.410 -20.720 36.937 0.00 0.00 WAT1 ATOM 3634 OH2 TIP3 552 10.095 -9.573 -10.132 0.00 0.00 WAT1 ATOM 3635 H1 TIP3 552 10.057 -10.219 -9.427 0.00 0.00 WAT1 ATOM 3636 H2 TIP3 552 9.772 -10.039 -10.903 0.00 0.00 WAT1 ATOM 3637 OH2 TIP3 553 13.801 -6.634 -11.830 0.00 0.00 WAT1 ATOM 3638 H1 TIP3 553 13.360 -7.354 -11.380 0.00 0.00 WAT1 ATOM 3639 H2 TIP3 553 13.788 -5.913 -11.200 0.00 0.00 WAT1 ATOM 3640 OH2 TIP3 554 10.912 -1.529 -11.618 0.00 0.00 WAT1 ATOM 3641 H1 TIP3 554 11.532 -2.206 -11.891 0.00 0.00 WAT1 ATOM 3642 H2 TIP3 554 10.704 -1.747 -10.710 0.00 0.00 WAT1 ATOM 3643 OH2 TIP3 555 8.484 -7.140 -9.726 0.00 0.00 WAT1 ATOM 3644 H1 TIP3 555 8.788 -7.826 -10.320 0.00 0.00 WAT1 ATOM 3645 H2 TIP3 555 9.206 -7.022 -9.108 0.00 0.00 WAT1 ATOM 3646 OH2 TIP3 556 11.625 -12.746 -9.398 0.00 0.00 WAT1 ATOM 3647 H1 TIP3 556 11.768 -13.693 -9.378 0.00 0.00 WAT1 ATOM 3648 H2 TIP3 556 11.519 -12.539 -10.327 0.00 0.00 WAT1 ATOM 3649 OH2 TIP3 557 12.502 -14.514 -13.725 0.00 0.00 WAT1 ATOM 3650 H1 TIP3 557 13.148 -14.843 -13.100 0.00 0.00 WAT1 ATOM 3651 H2 TIP3 557 13.012 -13.996 -14.348 0.00 0.00 WAT1 ATOM 3652 OH2 TIP3 558 6.159 -8.051 -7.764 0.00 0.00 WAT1 ATOM 3653 H1 TIP3 558 5.419 -7.453 -7.661 0.00 0.00 WAT1 ATOM 3654 H2 TIP3 558 6.873 -7.497 -8.080 0.00 0.00 WAT1 ATOM 3655 OH2 TIP3 559 14.266 -15.223 -11.744 0.00 0.00 WAT1 ATOM 3656 H1 TIP3 559 14.051 -15.989 -11.212 0.00 0.00 WAT1 ATOM 3657 H2 TIP3 559 14.922 -14.751 -11.231 0.00 0.00 WAT1 ATOM 3658 OH2 TIP3 560 4.567 -6.087 -6.977 0.00 0.00 WAT1 ATOM 3659 H1 TIP3 560 4.561 -5.208 -7.355 0.00 0.00 WAT1 ATOM 3660 H2 TIP3 560 3.713 -6.170 -6.552 0.00 0.00 WAT1 ATOM 3661 OH2 TIP3 561 12.565 -3.013 -12.857 0.00 0.00 WAT1 ATOM 3662 H1 TIP3 561 12.990 -3.720 -13.342 0.00 0.00 WAT1 ATOM 3663 H2 TIP3 561 12.882 -2.212 -13.274 0.00 0.00 WAT1 ATOM 3664 OH2 TIP3 562 13.724 -5.112 -14.348 0.00 0.00 WAT1 ATOM 3665 H1 TIP3 562 13.467 -5.802 -14.960 0.00 0.00 WAT1 ATOM 3666 H2 TIP3 562 13.795 -5.555 -13.503 0.00 0.00 WAT1 ATOM 3667 OH2 TIP3 563 13.289 -9.374 -15.147 0.00 0.00 WAT1 ATOM 3668 H1 TIP3 563 12.557 -9.146 -14.574 0.00 0.00 WAT1 ATOM 3669 H2 TIP3 563 13.736 -10.088 -14.692 0.00 0.00 WAT1 ATOM 3670 OH2 TIP3 564 5.301 -9.975 -9.631 0.00 0.00 WAT1 ATOM 3671 H1 TIP3 564 5.866 -9.854 -10.394 0.00 0.00 WAT1 ATOM 3672 H2 TIP3 564 5.620 -9.338 -8.992 0.00 0.00 WAT1 ATOM 3673 OH2 TIP3 565 3.101 -9.378 -5.685 0.00 0.00 WAT1 ATOM 3674 H1 TIP3 565 3.171 -8.727 -4.987 0.00 0.00 WAT1 ATOM 3675 H2 TIP3 565 2.210 -9.275 -6.020 0.00 0.00 WAT1 ATOM 3676 OH2 TIP3 566 9.886 -3.475 -14.027 0.00 0.00 WAT1 ATOM 3677 H1 TIP3 566 10.360 -3.180 -13.249 0.00 0.00 WAT1 ATOM 3678 H2 TIP3 566 9.323 -2.737 -14.260 0.00 0.00 WAT1 ATOM 3679 OH2 TIP3 567 4.420 -3.504 -4.150 0.00 0.00 WAT1 ATOM 3680 H1 TIP3 567 4.428 -3.640 -5.098 0.00 0.00 WAT1 ATOM 3681 H2 TIP3 567 3.504 -3.622 -3.898 0.00 0.00 WAT1 ATOM 3682 OH2 TIP3 568 2.266 -5.988 -5.817 0.00 0.00 WAT1 ATOM 3683 H1 TIP3 568 2.483 -6.349 -4.957 0.00 0.00 WAT1 ATOM 3684 H2 TIP3 568 1.411 -6.362 -6.027 0.00 0.00 WAT1 ATOM 3685 OH2 TIP3 569 9.548 -17.796 -6.447 0.00 0.00 WAT1 ATOM 3686 H1 TIP3 569 9.968 -18.211 -5.694 0.00 0.00 WAT1 ATOM 3687 H2 TIP3 569 8.615 -17.974 -6.330 0.00 0.00 WAT1 ATOM 3688 OH2 TIP3 570 11.513 -12.469 -12.183 0.00 0.00 WAT1 ATOM 3689 H1 TIP3 570 11.318 -11.864 -12.898 0.00 0.00 WAT1 ATOM 3690 H2 TIP3 570 11.695 -13.303 -12.618 0.00 0.00 WAT1 ATOM 3691 OH2 TIP3 571 10.777 -10.831 -7.512 0.00 0.00 WAT1 ATOM 3692 H1 TIP3 571 11.101 -11.462 -8.155 0.00 0.00 WAT1 ATOM 3693 H2 TIP3 571 10.337 -11.366 -6.851 0.00 0.00 WAT1 ATOM 3694 OH2 TIP3 572 11.960 -15.669 -9.464 0.00 0.00 WAT1 ATOM 3695 H1 TIP3 572 11.283 -15.538 -8.800 0.00 0.00 WAT1 ATOM 3696 H2 TIP3 572 11.474 -15.824 -10.274 0.00 0.00 WAT1 ATOM 3697 OH2 TIP3 573 15.247 0.003 -3.187 0.00 0.00 WAT1 ATOM 3698 H1 TIP3 573 15.447 0.427 -4.022 0.00 0.00 WAT1 ATOM 3699 H2 TIP3 573 15.903 0.346 -2.580 0.00 0.00 WAT1 ATOM 3700 OH2 TIP3 574 2.845 -7.523 -3.579 0.00 0.00 WAT1 ATOM 3701 H1 TIP3 574 3.578 -7.269 -3.018 0.00 0.00 WAT1 ATOM 3702 H2 TIP3 574 2.065 -7.319 -3.064 0.00 0.00 WAT1 ATOM 3703 OH2 TIP3 575 8.875 -12.116 -10.841 0.00 0.00 WAT1 ATOM 3704 H1 TIP3 575 9.439 -12.663 -11.388 0.00 0.00 WAT1 ATOM 3705 H2 TIP3 575 8.727 -12.638 -10.052 0.00 0.00 WAT1 ATOM 3706 OH2 TIP3 576 7.501 -13.728 -8.427 0.00 0.00 WAT1 ATOM 3707 H1 TIP3 576 6.666 -13.274 -8.317 0.00 0.00 WAT1 ATOM 3708 H2 TIP3 576 8.025 -13.452 -7.675 0.00 0.00 WAT1 ATOM 3709 OH2 TIP3 577 17.546 -12.624 -17.188 0.00 0.00 WAT1 ATOM 3710 H1 TIP3 577 16.992 -13.020 -17.860 0.00 0.00 WAT1 ATOM 3711 H2 TIP3 577 17.647 -11.714 -17.465 0.00 0.00 WAT1 ATOM 3712 OH2 TIP3 578 13.002 -9.030 -9.701 0.00 0.00 WAT1 ATOM 3713 H1 TIP3 578 12.074 -9.262 -9.728 0.00 0.00 WAT1 ATOM 3714 H2 TIP3 578 13.453 -9.807 -10.031 0.00 0.00 WAT1 ATOM 3715 OH2 TIP3 579 7.487 -2.890 -7.677 0.00 0.00 WAT1 ATOM 3716 H1 TIP3 579 7.850 -2.035 -7.910 0.00 0.00 WAT1 ATOM 3717 H2 TIP3 579 8.019 -3.182 -6.936 0.00 0.00 WAT1 ATOM 3718 OH2 TIP3 580 10.547 -15.265 -7.210 0.00 0.00 WAT1 ATOM 3719 H1 TIP3 580 11.245 -15.191 -6.560 0.00 0.00 WAT1 ATOM 3720 H2 TIP3 580 10.166 -16.129 -7.055 0.00 0.00 WAT1 ATOM 3721 OH2 TIP3 581 9.067 -12.899 -6.093 0.00 0.00 WAT1 ATOM 3722 H1 TIP3 581 9.186 -12.325 -5.336 0.00 0.00 WAT1 ATOM 3723 H2 TIP3 581 9.722 -13.587 -5.978 0.00 0.00 WAT1 ATOM 3724 OH2 TIP3 582 5.271 -2.395 -1.692 0.00 0.00 WAT1 ATOM 3725 H1 TIP3 582 6.039 -2.854 -1.351 0.00 0.00 WAT1 ATOM 3726 H2 TIP3 582 5.250 -2.621 -2.622 0.00 0.00 WAT1 ATOM 3727 OH2 TIP3 583 0.581 -7.504 -2.358 0.00 0.00 WAT1 ATOM 3728 H1 TIP3 583 0.725 -8.406 -2.644 0.00 0.00 WAT1 ATOM 3729 H2 TIP3 583 -0.192 -7.218 -2.846 0.00 0.00 WAT1 ATOM 3730 OH2 TIP3 584 1.413 -10.304 -2.938 0.00 0.00 WAT1 ATOM 3731 H1 TIP3 584 1.821 -11.161 -3.059 0.00 0.00 WAT1 ATOM 3732 H2 TIP3 584 1.153 -10.289 -2.017 0.00 0.00 WAT1 ATOM 3733 OH2 TIP3 585 5.360 -11.295 -5.564 0.00 0.00 WAT1 ATOM 3734 H1 TIP3 585 4.742 -10.620 -5.283 0.00 0.00 WAT1 ATOM 3735 H2 TIP3 585 5.704 -10.974 -6.397 0.00 0.00 WAT1 ATOM 3736 OH2 TIP3 586 5.700 -13.940 -4.481 0.00 0.00 WAT1 ATOM 3737 H1 TIP3 586 5.850 -14.669 -5.084 0.00 0.00 WAT1 ATOM 3738 H2 TIP3 586 5.702 -13.163 -5.040 0.00 0.00 WAT1 ATOM 3739 OH2 TIP3 587 6.112 -15.570 -6.989 0.00 0.00 WAT1 ATOM 3740 H1 TIP3 587 6.648 -15.119 -7.641 0.00 0.00 WAT1 ATOM 3741 H2 TIP3 587 5.260 -15.678 -7.411 0.00 0.00 WAT1 ATOM 3742 OH2 TIP3 588 7.694 -10.131 -6.749 0.00 0.00 WAT1 ATOM 3743 H1 TIP3 588 8.445 -10.287 -7.322 0.00 0.00 WAT1 ATOM 3744 H2 TIP3 588 7.355 -9.279 -7.025 0.00 0.00 WAT1 ATOM 3745 OH2 TIP3 589 4.178 -12.742 -2.570 0.00 0.00 WAT1 ATOM 3746 H1 TIP3 589 3.411 -13.274 -2.780 0.00 0.00 WAT1 ATOM 3747 H2 TIP3 589 4.857 -13.052 -3.169 0.00 0.00 WAT1 ATOM 3748 OH2 TIP3 590 6.918 -18.114 -6.557 0.00 0.00 WAT1 ATOM 3749 H1 TIP3 590 6.820 -17.167 -6.663 0.00 0.00 WAT1 ATOM 3750 H2 TIP3 590 6.175 -18.486 -7.033 0.00 0.00 WAT1 ATOM 3751 OH2 TIP3 591 2.359 -14.821 -2.865 0.00 0.00 WAT1 ATOM 3752 H1 TIP3 591 2.570 -15.528 -3.476 0.00 0.00 WAT1 ATOM 3753 H2 TIP3 591 2.247 -15.259 -2.021 0.00 0.00 WAT1 ATOM 3754 OH2 TIP3 592 7.140 -18.820 -3.886 0.00 0.00 WAT1 ATOM 3755 H1 TIP3 592 7.852 -19.460 -3.900 0.00 0.00 WAT1 ATOM 3756 H2 TIP3 592 7.039 -18.553 -4.800 0.00 0.00 WAT1 ATOM 3757 OH2 TIP3 593 17.676 -1.335 -9.311 0.00 0.00 WAT1 ATOM 3758 H1 TIP3 593 17.654 -1.150 -8.372 0.00 0.00 WAT1 ATOM 3759 H2 TIP3 593 18.366 -0.766 -9.652 0.00 0.00 WAT1 ATOM 3760 OH2 TIP3 594 16.991 -7.721 -16.237 0.00 0.00 WAT1 ATOM 3761 H1 TIP3 594 17.841 -7.300 -16.109 0.00 0.00 WAT1 ATOM 3762 H2 TIP3 594 16.996 -8.461 -15.629 0.00 0.00 WAT1 ATOM 3763 OH2 TIP3 595 17.385 -9.668 -14.413 0.00 0.00 WAT1 ATOM 3764 H1 TIP3 595 16.659 -10.147 -14.015 0.00 0.00 WAT1 ATOM 3765 H2 TIP3 595 17.966 -9.462 -13.681 0.00 0.00 WAT1 ATOM 3766 OH2 TIP3 596 17.144 -6.883 -9.465 0.00 0.00 WAT1 ATOM 3767 H1 TIP3 596 17.978 -7.261 -9.746 0.00 0.00 WAT1 ATOM 3768 H2 TIP3 596 17.256 -5.940 -9.584 0.00 0.00 WAT1 ATOM 3769 OH2 TIP3 597 15.172 -11.147 -13.850 0.00 0.00 WAT1 ATOM 3770 H1 TIP3 597 15.022 -12.092 -13.870 0.00 0.00 WAT1 ATOM 3771 H2 TIP3 597 14.818 -10.866 -13.006 0.00 0.00 WAT1 ATOM 3772 OH2 TIP3 598 14.882 -13.564 -15.388 0.00 0.00 WAT1 ATOM 3773 H1 TIP3 598 15.162 -14.471 -15.263 0.00 0.00 WAT1 ATOM 3774 H2 TIP3 598 15.641 -13.130 -15.777 0.00 0.00 WAT1 ATOM 3775 OH2 TIP3 599 17.806 -18.266 -1.822 0.00 0.00 WAT1 ATOM 3776 H1 TIP3 599 18.156 -18.920 -2.428 0.00 0.00 WAT1 ATOM 3777 H2 TIP3 599 17.953 -17.429 -2.262 0.00 0.00 WAT1 ATOM 3778 OH2 TIP3 600 15.496 -16.301 -15.339 0.00 0.00 WAT1 ATOM 3779 H1 TIP3 600 15.678 -16.750 -14.514 0.00 0.00 WAT1 ATOM 3780 H2 TIP3 600 14.896 -16.886 -15.803 0.00 0.00 WAT1 ATOM 3781 OH2 TIP3 601 14.414 -1.245 -13.739 0.00 0.00 WAT1 ATOM 3782 H1 TIP3 601 15.067 -1.592 -14.347 0.00 0.00 WAT1 ATOM 3783 H2 TIP3 601 14.925 -0.756 -13.093 0.00 0.00 WAT1 ATOM 3784 OH2 TIP3 602 1.799 -4.316 -3.196 0.00 0.00 WAT1 ATOM 3785 H1 TIP3 602 0.978 -4.141 -3.656 0.00 0.00 WAT1 ATOM 3786 H2 TIP3 602 1.547 -4.389 -2.275 0.00 0.00 WAT1 ATOM 3787 OH2 TIP3 603 4.753 -3.341 -6.937 0.00 0.00 WAT1 ATOM 3788 H1 TIP3 603 4.328 -2.532 -7.220 0.00 0.00 WAT1 ATOM 3789 H2 TIP3 603 5.658 -3.256 -7.239 0.00 0.00 WAT1 ATOM 3790 OH2 TIP3 604 9.064 -1.942 -3.978 0.00 0.00 WAT1 ATOM 3791 H1 TIP3 604 9.249 -2.276 -3.100 0.00 0.00 WAT1 ATOM 3792 H2 TIP3 604 9.911 -1.633 -4.300 0.00 0.00 WAT1 ATOM 3793 OH2 TIP3 605 11.409 -0.657 -4.734 0.00 0.00 WAT1 ATOM 3794 H1 TIP3 605 12.086 -1.289 -4.974 0.00 0.00 WAT1 ATOM 3795 H2 TIP3 605 11.731 -0.255 -3.926 0.00 0.00 WAT1 ATOM 3796 OH2 TIP3 606 16.327 -18.067 -5.654 0.00 0.00 WAT1 ATOM 3797 H1 TIP3 606 15.514 -17.742 -6.042 0.00 0.00 WAT1 ATOM 3798 H2 TIP3 606 16.560 -18.827 -6.187 0.00 0.00 WAT1 ATOM 3799 OH2 TIP3 607 9.333 -0.597 -8.684 0.00 0.00 WAT1 ATOM 3800 H1 TIP3 607 8.876 -0.068 -9.338 0.00 0.00 WAT1 ATOM 3801 H2 TIP3 607 9.496 0.006 -7.959 0.00 0.00 WAT1 ATOM 3802 OH2 TIP3 608 14.899 -18.511 -11.219 0.00 0.00 WAT1 ATOM 3803 H1 TIP3 608 15.503 -17.963 -11.720 0.00 0.00 WAT1 ATOM 3804 H2 TIP3 608 14.030 -18.191 -11.459 0.00 0.00 WAT1 ATOM 3805 OH2 TIP3 609 16.626 -17.372 -12.885 0.00 0.00 WAT1 ATOM 3806 H1 TIP3 609 17.238 -17.886 -13.412 0.00 0.00 WAT1 ATOM 3807 H2 TIP3 609 17.009 -16.494 -12.862 0.00 0.00 WAT1 ATOM 3808 OH2 TIP3 610 12.220 -18.027 -12.047 0.00 0.00 WAT1 ATOM 3809 H1 TIP3 610 12.296 -17.932 -12.996 0.00 0.00 WAT1 ATOM 3810 H2 TIP3 610 11.944 -18.935 -11.918 0.00 0.00 WAT1 ATOM 3811 OH2 TIP3 611 4.014 -18.119 -2.456 0.00 0.00 WAT1 ATOM 3812 H1 TIP3 611 4.913 -18.393 -2.641 0.00 0.00 WAT1 ATOM 3813 H2 TIP3 611 3.628 -18.862 -1.992 0.00 0.00 WAT1 ATOM 3814 OH2 TIP3 612 12.436 -18.787 -2.274 0.00 0.00 WAT1 ATOM 3815 H1 TIP3 612 12.512 -19.213 -1.420 0.00 0.00 WAT1 ATOM 3816 H2 TIP3 612 13.329 -18.773 -2.616 0.00 0.00 WAT1 ATOM 3817 OH2 TIP3 613 2.463 -9.958 10.317 0.00 0.00 WAT1 ATOM 3818 H1 TIP3 613 2.505 -10.584 11.041 0.00 0.00 WAT1 ATOM 3819 H2 TIP3 613 3.166 -9.335 10.499 0.00 0.00 WAT1 ATOM 3820 OH2 TIP3 614 13.801 -6.634 7.026 0.00 0.00 WAT1 ATOM 3821 H1 TIP3 614 13.360 -7.354 7.476 0.00 0.00 WAT1 ATOM 3822 H2 TIP3 614 13.788 -5.913 7.656 0.00 0.00 WAT1 ATOM 3823 OH2 TIP3 615 3.387 -5.508 8.852 0.00 0.00 WAT1 ATOM 3824 H1 TIP3 615 3.017 -6.310 8.483 0.00 0.00 WAT1 ATOM 3825 H2 TIP3 615 4.328 -5.677 8.899 0.00 0.00 WAT1 ATOM 3826 OH2 TIP3 616 0.707 -9.686 6.371 0.00 0.00 WAT1 ATOM 3827 H1 TIP3 616 0.921 -10.456 6.898 0.00 0.00 WAT1 ATOM 3828 H2 TIP3 616 1.445 -9.597 5.768 0.00 0.00 WAT1 ATOM 3829 OH2 TIP3 617 4.780 -14.645 6.730 0.00 0.00 WAT1 ATOM 3830 H1 TIP3 617 4.823 -13.785 6.312 0.00 0.00 WAT1 ATOM 3831 H2 TIP3 617 4.322 -15.197 6.097 0.00 0.00 WAT1 ATOM 3832 OH2 TIP3 618 1.400 -12.248 7.492 0.00 0.00 WAT1 ATOM 3833 H1 TIP3 618 2.054 -12.798 7.924 0.00 0.00 WAT1 ATOM 3834 H2 TIP3 618 1.424 -12.522 6.576 0.00 0.00 WAT1 ATOM 3835 OH2 TIP3 619 3.590 -15.727 10.804 0.00 0.00 WAT1 ATOM 3836 H1 TIP3 619 3.371 -15.197 10.038 0.00 0.00 WAT1 ATOM 3837 H2 TIP3 619 2.922 -15.500 11.452 0.00 0.00 WAT1 ATOM 3838 OH2 TIP3 620 6.159 -8.051 11.092 0.00 0.00 WAT1 ATOM 3839 H1 TIP3 620 5.419 -7.453 11.195 0.00 0.00 WAT1 ATOM 3840 H2 TIP3 620 6.873 -7.497 10.776 0.00 0.00 WAT1 ATOM 3841 OH2 TIP3 621 3.184 -13.835 8.757 0.00 0.00 WAT1 ATOM 3842 H1 TIP3 621 3.797 -13.202 9.130 0.00 0.00 WAT1 ATOM 3843 H2 TIP3 621 3.696 -14.307 8.100 0.00 0.00 WAT1 ATOM 3844 OH2 TIP3 622 4.567 -6.087 11.879 0.00 0.00 WAT1 ATOM 3845 H1 TIP3 622 4.561 -5.208 11.501 0.00 0.00 WAT1 ATOM 3846 H2 TIP3 622 3.713 -6.170 12.304 0.00 0.00 WAT1 ATOM 3847 OH2 TIP3 623 14.313 -4.794 9.374 0.00 0.00 WAT1 ATOM 3848 H1 TIP3 623 13.371 -4.736 9.535 0.00 0.00 WAT1 ATOM 3849 H2 TIP3 623 14.589 -3.888 9.237 0.00 0.00 WAT1 ATOM 3850 OH2 TIP3 624 12.565 -3.013 5.999 0.00 0.00 WAT1 ATOM 3851 H1 TIP3 624 12.990 -3.720 5.514 0.00 0.00 WAT1 ATOM 3852 H2 TIP3 624 12.882 -2.212 5.582 0.00 0.00 WAT1 ATOM 3853 OH2 TIP3 625 13.724 -5.112 4.508 0.00 0.00 WAT1 ATOM 3854 H1 TIP3 625 13.467 -5.802 3.896 0.00 0.00 WAT1 ATOM 3855 H2 TIP3 625 13.795 -5.555 5.353 0.00 0.00 WAT1 ATOM 3856 OH2 TIP3 626 17.252 -10.206 11.051 0.00 0.00 WAT1 ATOM 3857 H1 TIP3 626 16.600 -9.511 11.140 0.00 0.00 WAT1 ATOM 3858 H2 TIP3 626 17.717 -9.996 10.241 0.00 0.00 WAT1 ATOM 3859 OH2 TIP3 627 13.186 -11.200 12.777 0.00 0.00 WAT1 ATOM 3860 H1 TIP3 627 13.266 -10.437 13.349 0.00 0.00 WAT1 ATOM 3861 H2 TIP3 627 12.585 -10.921 12.086 0.00 0.00 WAT1 ATOM 3862 OH2 TIP3 628 6.301 -5.316 8.273 0.00 0.00 WAT1 ATOM 3863 H1 TIP3 628 6.206 -5.894 7.516 0.00 0.00 WAT1 ATOM 3864 H2 TIP3 628 7.030 -5.687 8.769 0.00 0.00 WAT1 ATOM 3865 OH2 TIP3 629 11.610 -4.472 9.959 0.00 0.00 WAT1 ATOM 3866 H1 TIP3 629 11.369 -3.810 10.607 0.00 0.00 WAT1 ATOM 3867 H2 TIP3 629 11.412 -5.306 10.384 0.00 0.00 WAT1 ATOM 3868 OH2 TIP3 630 3.101 -9.378 13.171 0.00 0.00 WAT1 ATOM 3869 H1 TIP3 630 3.171 -8.727 13.869 0.00 0.00 WAT1 ATOM 3870 H2 TIP3 630 2.210 -9.275 12.836 0.00 0.00 WAT1 ATOM 3871 OH2 TIP3 631 9.886 -3.475 4.829 0.00 0.00 WAT1 ATOM 3872 H1 TIP3 631 10.360 -3.180 5.607 0.00 0.00 WAT1 ATOM 3873 H2 TIP3 631 9.323 -2.737 4.596 0.00 0.00 WAT1 ATOM 3874 OH2 TIP3 632 3.924 -9.674 3.181 0.00 0.00 WAT1 ATOM 3875 H1 TIP3 632 3.632 -8.906 2.690 0.00 0.00 WAT1 ATOM 3876 H2 TIP3 632 3.250 -10.334 3.018 0.00 0.00 WAT1 ATOM 3877 OH2 TIP3 633 9.358 -0.519 3.244 0.00 0.00 WAT1 ATOM 3878 H1 TIP3 633 9.283 -0.640 2.298 0.00 0.00 WAT1 ATOM 3879 H2 TIP3 633 9.391 0.431 3.363 0.00 0.00 WAT1 ATOM 3880 OH2 TIP3 634 12.460 -1.365 0.247 0.00 0.00 WAT1 ATOM 3881 H1 TIP3 634 12.835 -2.109 -0.224 0.00 0.00 WAT1 ATOM 3882 H2 TIP3 634 12.464 -1.635 1.165 0.00 0.00 WAT1 ATOM 3883 OH2 TIP3 635 12.129 -1.439 2.996 0.00 0.00 WAT1 ATOM 3884 H1 TIP3 635 11.194 -1.339 3.175 0.00 0.00 WAT1 ATOM 3885 H2 TIP3 635 12.409 -2.148 3.574 0.00 0.00 WAT1 ATOM 3886 OH2 TIP3 636 15.117 -12.372 15.042 0.00 0.00 WAT1 ATOM 3887 H1 TIP3 636 14.710 -11.891 14.322 0.00 0.00 WAT1 ATOM 3888 H2 TIP3 636 15.158 -13.277 14.735 0.00 0.00 WAT1 ATOM 3889 OH2 TIP3 637 4.885 -17.518 9.035 0.00 0.00 WAT1 ATOM 3890 H1 TIP3 637 4.024 -17.605 8.627 0.00 0.00 WAT1 ATOM 3891 H2 TIP3 637 4.863 -16.662 9.462 0.00 0.00 WAT1 ATOM 3892 OH2 TIP3 638 12.874 -14.040 13.263 0.00 0.00 WAT1 ATOM 3893 H1 TIP3 638 12.360 -14.166 14.060 0.00 0.00 WAT1 ATOM 3894 H2 TIP3 638 12.719 -13.128 13.018 0.00 0.00 WAT1 ATOM 3895 OH2 TIP3 639 4.976 -12.552 10.130 0.00 0.00 WAT1 ATOM 3896 H1 TIP3 639 4.334 -12.593 10.839 0.00 0.00 WAT1 ATOM 3897 H2 TIP3 639 5.013 -11.626 9.892 0.00 0.00 WAT1 ATOM 3898 OH2 TIP3 640 9.611 -11.740 15.347 0.00 0.00 WAT1 ATOM 3899 H1 TIP3 640 9.048 -12.444 15.667 0.00 0.00 WAT1 ATOM 3900 H2 TIP3 640 10.437 -11.860 15.814 0.00 0.00 WAT1 ATOM 3901 OH2 TIP3 641 2.726 -12.232 11.997 0.00 0.00 WAT1 ATOM 3902 H1 TIP3 641 2.688 -11.832 12.865 0.00 0.00 WAT1 ATOM 3903 H2 TIP3 641 2.235 -13.049 12.087 0.00 0.00 WAT1 ATOM 3904 OH2 TIP3 642 0.609 -14.370 1.271 0.00 0.00 WAT1 ATOM 3905 H1 TIP3 642 1.083 -13.779 0.686 0.00 0.00 WAT1 ATOM 3906 H2 TIP3 642 -0.109 -13.839 1.618 0.00 0.00 WAT1 ATOM 3907 OH2 TIP3 643 2.383 -13.275 4.955 0.00 0.00 WAT1 ATOM 3908 H1 TIP3 643 1.494 -13.175 4.615 0.00 0.00 WAT1 ATOM 3909 H2 TIP3 643 2.679 -14.117 4.609 0.00 0.00 WAT1 ATOM 3910 OH2 TIP3 644 3.877 -15.980 4.433 0.00 0.00 WAT1 ATOM 3911 H1 TIP3 644 3.560 -16.882 4.398 0.00 0.00 WAT1 ATOM 3912 H2 TIP3 644 4.658 -15.978 3.881 0.00 0.00 WAT1 ATOM 3913 OH2 TIP3 645 15.195 -8.382 10.900 0.00 0.00 WAT1 ATOM 3914 H1 TIP3 645 15.837 -7.925 10.357 0.00 0.00 WAT1 ATOM 3915 H2 TIP3 645 14.365 -8.269 10.438 0.00 0.00 WAT1 ATOM 3916 OH2 TIP3 646 9.565 -7.331 13.351 0.00 0.00 WAT1 ATOM 3917 H1 TIP3 646 9.219 -7.712 14.157 0.00 0.00 WAT1 ATOM 3918 H2 TIP3 646 9.365 -6.397 13.422 0.00 0.00 WAT1 ATOM 3919 OH2 TIP3 647 3.170 -8.220 7.883 0.00 0.00 WAT1 ATOM 3920 H1 TIP3 647 3.915 -8.222 7.282 0.00 0.00 WAT1 ATOM 3921 H2 TIP3 647 3.248 -9.044 8.365 0.00 0.00 WAT1 ATOM 3922 OH2 TIP3 648 7.195 -10.242 15.411 0.00 0.00 WAT1 ATOM 3923 H1 TIP3 648 6.899 -10.408 14.516 0.00 0.00 WAT1 ATOM 3924 H2 TIP3 648 8.126 -10.462 15.401 0.00 0.00 WAT1 ATOM 3925 OH2 TIP3 649 13.002 -9.030 9.155 0.00 0.00 WAT1 ATOM 3926 H1 TIP3 649 12.074 -9.262 9.128 0.00 0.00 WAT1 ATOM 3927 H2 TIP3 649 13.453 -9.807 8.825 0.00 0.00 WAT1 ATOM 3928 OH2 TIP3 650 5.545 -4.702 5.288 0.00 0.00 WAT1 ATOM 3929 H1 TIP3 650 6.072 -3.929 5.087 0.00 0.00 WAT1 ATOM 3930 H2 TIP3 650 4.665 -4.477 4.986 0.00 0.00 WAT1 ATOM 3931 OH2 TIP3 651 1.300 -9.840 -0.125 0.00 0.00 WAT1 ATOM 3932 H1 TIP3 651 1.916 -9.213 0.254 0.00 0.00 WAT1 ATOM 3933 H2 TIP3 651 0.438 -9.524 0.146 0.00 0.00 WAT1 ATOM 3934 OH2 TIP3 652 5.656 -2.017 4.409 0.00 0.00 WAT1 ATOM 3935 H1 TIP3 652 4.706 -1.912 4.461 0.00 0.00 WAT1 ATOM 3936 H2 TIP3 652 6.007 -1.197 4.754 0.00 0.00 WAT1 ATOM 3937 OH2 TIP3 653 11.031 -6.791 10.880 0.00 0.00 WAT1 ATOM 3938 H1 TIP3 653 10.605 -7.018 11.706 0.00 0.00 WAT1 ATOM 3939 H2 TIP3 653 11.612 -7.529 10.697 0.00 0.00 WAT1 ATOM 3940 OH2 TIP3 654 17.738 -1.382 0.155 0.00 0.00 WAT1 ATOM 3941 H1 TIP3 654 18.481 -0.796 0.015 0.00 0.00 WAT1 ATOM 3942 H2 TIP3 654 17.043 -0.814 0.488 0.00 0.00 WAT1 ATOM 3943 OH2 TIP3 655 2.715 -7.927 1.367 0.00 0.00 WAT1 ATOM 3944 H1 TIP3 655 2.029 -7.575 1.934 0.00 0.00 WAT1 ATOM 3945 H2 TIP3 655 3.238 -7.164 1.121 0.00 0.00 WAT1 ATOM 3946 OH2 TIP3 656 9.000 -3.482 1.606 0.00 0.00 WAT1 ATOM 3947 H1 TIP3 656 8.183 -2.985 1.659 0.00 0.00 WAT1 ATOM 3948 H2 TIP3 656 9.529 -3.007 0.966 0.00 0.00 WAT1 ATOM 3949 OH2 TIP3 657 9.067 -12.899 12.763 0.00 0.00 WAT1 ATOM 3950 H1 TIP3 657 9.186 -12.325 13.520 0.00 0.00 WAT1 ATOM 3951 H2 TIP3 657 9.722 -13.587 12.878 0.00 0.00 WAT1 ATOM 3952 OH2 TIP3 658 6.338 -2.439 1.588 0.00 0.00 WAT1 ATOM 3953 H1 TIP3 658 6.499 -1.639 1.087 0.00 0.00 WAT1 ATOM 3954 H2 TIP3 658 6.141 -2.132 2.473 0.00 0.00 WAT1 ATOM 3955 OH2 TIP3 659 13.873 -11.241 7.694 0.00 0.00 WAT1 ATOM 3956 H1 TIP3 659 13.076 -11.656 7.365 0.00 0.00 WAT1 ATOM 3957 H2 TIP3 659 14.318 -11.932 8.185 0.00 0.00 WAT1 ATOM 3958 OH2 TIP3 660 3.331 -5.313 0.264 0.00 0.00 WAT1 ATOM 3959 H1 TIP3 660 3.923 -4.614 0.540 0.00 0.00 WAT1 ATOM 3960 H2 TIP3 660 3.790 -5.746 -0.455 0.00 0.00 WAT1 ATOM 3961 OH2 TIP3 661 1.647 -12.649 -0.620 0.00 0.00 WAT1 ATOM 3962 H1 TIP3 661 1.602 -11.710 -0.441 0.00 0.00 WAT1 ATOM 3963 H2 TIP3 661 0.759 -12.885 -0.890 0.00 0.00 WAT1 ATOM 3964 OH2 TIP3 662 2.455 -17.867 8.053 0.00 0.00 WAT1 ATOM 3965 H1 TIP3 662 2.226 -17.808 7.126 0.00 0.00 WAT1 ATOM 3966 H2 TIP3 662 2.012 -18.659 8.360 0.00 0.00 WAT1 ATOM 3967 OH2 TIP3 663 12.971 -7.618 13.314 0.00 0.00 WAT1 ATOM 3968 H1 TIP3 663 13.716 -7.030 13.194 0.00 0.00 WAT1 ATOM 3969 H2 TIP3 663 12.214 -7.036 13.377 0.00 0.00 WAT1 ATOM 3970 OH2 TIP3 664 5.360 -11.295 13.292 0.00 0.00 WAT1 ATOM 3971 H1 TIP3 664 4.742 -10.620 13.573 0.00 0.00 WAT1 ATOM 3972 H2 TIP3 664 5.704 -10.974 12.459 0.00 0.00 WAT1 ATOM 3973 OH2 TIP3 665 5.700 -13.940 14.375 0.00 0.00 WAT1 ATOM 3974 H1 TIP3 665 5.850 -14.669 13.772 0.00 0.00 WAT1 ATOM 3975 H2 TIP3 665 5.702 -13.163 13.816 0.00 0.00 WAT1 ATOM 3976 OH2 TIP3 666 6.112 -15.570 11.867 0.00 0.00 WAT1 ATOM 3977 H1 TIP3 666 6.648 -15.119 11.215 0.00 0.00 WAT1 ATOM 3978 H2 TIP3 666 5.260 -15.678 11.445 0.00 0.00 WAT1 ATOM 3979 OH2 TIP3 667 7.694 -10.131 12.107 0.00 0.00 WAT1 ATOM 3980 H1 TIP3 667 8.445 -10.287 11.534 0.00 0.00 WAT1 ATOM 3981 H2 TIP3 667 7.355 -9.279 11.831 0.00 0.00 WAT1 ATOM 3982 OH2 TIP3 668 12.110 -12.316 17.135 0.00 0.00 WAT1 ATOM 3983 H1 TIP3 668 12.302 -13.247 17.024 0.00 0.00 WAT1 ATOM 3984 H2 TIP3 668 12.967 -11.891 17.125 0.00 0.00 WAT1 ATOM 3985 OH2 TIP3 669 13.426 -9.527 15.213 0.00 0.00 WAT1 ATOM 3986 H1 TIP3 669 13.145 -8.818 14.635 0.00 0.00 WAT1 ATOM 3987 H2 TIP3 669 14.369 -9.600 15.062 0.00 0.00 WAT1 ATOM 3988 OH2 TIP3 670 8.182 -13.792 15.862 0.00 0.00 WAT1 ATOM 3989 H1 TIP3 670 7.946 -14.012 16.764 0.00 0.00 WAT1 ATOM 3990 H2 TIP3 670 7.399 -13.999 15.353 0.00 0.00 WAT1 ATOM 3991 OH2 TIP3 671 10.898 -14.665 14.938 0.00 0.00 WAT1 ATOM 3992 H1 TIP3 671 9.950 -14.633 15.070 0.00 0.00 WAT1 ATOM 3993 H2 TIP3 671 11.210 -15.290 15.592 0.00 0.00 WAT1 ATOM 3994 OH2 TIP3 672 2.359 -14.821 15.991 0.00 0.00 WAT1 ATOM 3995 H1 TIP3 672 2.570 -15.528 15.380 0.00 0.00 WAT1 ATOM 3996 H2 TIP3 672 2.247 -15.259 16.835 0.00 0.00 WAT1 ATOM 3997 OH2 TIP3 673 7.040 -0.254 0.200 0.00 0.00 WAT1 ATOM 3998 H1 TIP3 673 7.973 -0.096 0.344 0.00 0.00 WAT1 ATOM 3999 H2 TIP3 673 6.776 0.421 -0.425 0.00 0.00 WAT1 ATOM 4000 OH2 TIP3 674 0.608 -5.618 -0.317 0.00 0.00 WAT1 ATOM 4001 H1 TIP3 674 1.522 -5.539 -0.044 0.00 0.00 WAT1 ATOM 4002 H2 TIP3 674 0.615 -6.305 -0.984 0.00 0.00 WAT1 ATOM 4003 OH2 TIP3 675 17.385 -9.668 4.443 0.00 0.00 WAT1 ATOM 4004 H1 TIP3 675 16.659 -10.147 4.841 0.00 0.00 WAT1 ATOM 4005 H2 TIP3 675 17.966 -9.462 5.175 0.00 0.00 WAT1 ATOM 4006 OH2 TIP3 676 15.172 -11.147 5.006 0.00 0.00 WAT1 ATOM 4007 H1 TIP3 676 15.022 -12.092 4.986 0.00 0.00 WAT1 ATOM 4008 H2 TIP3 676 14.818 -10.866 5.850 0.00 0.00 WAT1 ATOM 4009 OH2 TIP3 677 16.028 -9.177 14.645 0.00 0.00 WAT1 ATOM 4010 H1 TIP3 677 16.611 -9.911 14.836 0.00 0.00 WAT1 ATOM 4011 H2 TIP3 677 16.592 -8.405 14.691 0.00 0.00 WAT1 ATOM 4012 OH2 TIP3 678 17.525 -11.274 15.329 0.00 0.00 WAT1 ATOM 4013 H1 TIP3 678 16.662 -11.653 15.164 0.00 0.00 WAT1 ATOM 4014 H2 TIP3 678 18.129 -12.013 15.255 0.00 0.00 WAT1 ATOM 4015 OH2 TIP3 679 15.494 -12.983 8.904 0.00 0.00 WAT1 ATOM 4016 H1 TIP3 679 16.427 -12.771 8.870 0.00 0.00 WAT1 ATOM 4017 H2 TIP3 679 15.259 -12.881 9.827 0.00 0.00 WAT1 ATOM 4018 OH2 TIP3 680 15.523 -12.246 11.680 0.00 0.00 WAT1 ATOM 4019 H1 TIP3 680 14.680 -11.978 12.046 0.00 0.00 WAT1 ATOM 4020 H2 TIP3 680 15.966 -11.424 11.469 0.00 0.00 WAT1 ATOM 4021 OH2 TIP3 681 14.414 -1.245 5.117 0.00 0.00 WAT1 ATOM 4022 H1 TIP3 681 15.067 -1.592 4.509 0.00 0.00 WAT1 ATOM 4023 H2 TIP3 681 14.925 -0.756 5.763 0.00 0.00 WAT1 ATOM 4024 OH2 TIP3 682 -0.393 -17.491 11.516 0.00 0.00 WAT1 ATOM 4025 H1 TIP3 682 -1.058 -17.737 12.159 0.00 0.00 WAT1 ATOM 4026 H2 TIP3 682 -0.836 -16.869 10.939 0.00 0.00 WAT1 ATOM 4027 OH2 TIP3 683 6.663 -18.057 5.160 0.00 0.00 WAT1 ATOM 4028 H1 TIP3 683 7.537 -17.669 5.130 0.00 0.00 WAT1 ATOM 4029 H2 TIP3 683 6.527 -18.272 6.083 0.00 0.00 WAT1 ATOM 4030 OH2 TIP3 684 2.781 -16.270 -0.407 0.00 0.00 WAT1 ATOM 4031 H1 TIP3 684 3.272 -16.900 -0.935 0.00 0.00 WAT1 ATOM 4032 H2 TIP3 684 3.404 -15.974 0.256 0.00 0.00 WAT1 ATOM 4033 OH2 TIP3 685 9.685 -1.028 0.445 0.00 0.00 WAT1 ATOM 4034 H1 TIP3 685 10.551 -0.662 0.267 0.00 0.00 WAT1 ATOM 4035 H2 TIP3 685 9.438 -1.468 -0.368 0.00 0.00 WAT1 ATOM 4036 OH2 TIP3 686 16.394 -1.465 3.125 0.00 0.00 WAT1 ATOM 4037 H1 TIP3 686 16.200 -2.213 2.560 0.00 0.00 WAT1 ATOM 4038 H2 TIP3 686 16.355 -0.707 2.541 0.00 0.00 WAT1 ATOM 4039 OH2 TIP3 687 2.041 -17.470 14.864 0.00 0.00 WAT1 ATOM 4040 H1 TIP3 687 1.675 -18.235 15.307 0.00 0.00 WAT1 ATOM 4041 H2 TIP3 687 2.954 -17.441 15.151 0.00 0.00 WAT1 ATOM 4042 OH2 TIP3 688 4.014 -18.119 16.400 0.00 0.00 WAT1 ATOM 4043 H1 TIP3 688 4.913 -18.393 16.215 0.00 0.00 WAT1 ATOM 4044 H2 TIP3 688 3.628 -18.862 16.864 0.00 0.00 WAT1 ATOM 4045 OH2 TIP3 689 2.639 -1.318 -0.927 0.00 0.00 WAT1 ATOM 4046 H1 TIP3 689 2.371 -1.031 -0.054 0.00 0.00 WAT1 ATOM 4047 H2 TIP3 689 3.410 -1.864 -0.775 0.00 0.00 WAT1 ATOM 4048 OH2 TIP3 690 11.162 -8.828 24.161 0.00 0.00 WAT1 ATOM 4049 H1 TIP3 690 11.251 -7.884 24.029 0.00 0.00 WAT1 ATOM 4050 H2 TIP3 690 10.523 -9.103 23.503 0.00 0.00 WAT1 ATOM 4051 OH2 TIP3 691 10.095 -9.573 27.580 0.00 0.00 WAT1 ATOM 4052 H1 TIP3 691 10.057 -10.219 28.285 0.00 0.00 WAT1 ATOM 4053 H2 TIP3 691 9.772 -10.039 26.809 0.00 0.00 WAT1 ATOM 4054 OH2 TIP3 692 2.463 -9.958 29.173 0.00 0.00 WAT1 ATOM 4055 H1 TIP3 692 2.505 -10.584 29.897 0.00 0.00 WAT1 ATOM 4056 H2 TIP3 692 3.166 -9.335 29.355 0.00 0.00 WAT1 ATOM 4057 OH2 TIP3 693 -0.003 -11.848 23.101 0.00 0.00 WAT1 ATOM 4058 H1 TIP3 693 -0.451 -11.002 23.083 0.00 0.00 WAT1 ATOM 4059 H2 TIP3 693 -0.564 -12.428 22.586 0.00 0.00 WAT1 ATOM 4060 OH2 TIP3 694 0.707 -9.686 25.227 0.00 0.00 WAT1 ATOM 4061 H1 TIP3 694 0.921 -10.456 25.754 0.00 0.00 WAT1 ATOM 4062 H2 TIP3 694 1.445 -9.597 24.624 0.00 0.00 WAT1 ATOM 4063 OH2 TIP3 695 1.400 -12.248 26.348 0.00 0.00 WAT1 ATOM 4064 H1 TIP3 695 2.054 -12.798 26.780 0.00 0.00 WAT1 ATOM 4065 H2 TIP3 695 1.424 -12.522 25.432 0.00 0.00 WAT1 ATOM 4066 OH2 TIP3 696 6.556 -10.698 25.564 0.00 0.00 WAT1 ATOM 4067 H1 TIP3 696 7.172 -11.224 26.073 0.00 0.00 WAT1 ATOM 4068 H2 TIP3 696 5.970 -11.338 25.160 0.00 0.00 WAT1 ATOM 4069 OH2 TIP3 697 15.410 -6.546 31.841 0.00 0.00 WAT1 ATOM 4070 H1 TIP3 697 15.550 -7.137 31.102 0.00 0.00 WAT1 ATOM 4071 H2 TIP3 697 15.578 -5.673 31.485 0.00 0.00 WAT1 ATOM 4072 OH2 TIP3 698 9.883 -9.584 21.613 0.00 0.00 WAT1 ATOM 4073 H1 TIP3 698 9.171 -9.049 21.262 0.00 0.00 WAT1 ATOM 4074 H2 TIP3 698 10.574 -9.528 20.953 0.00 0.00 WAT1 ATOM 4075 OH2 TIP3 699 9.937 -11.126 18.652 0.00 0.00 WAT1 ATOM 4076 H1 TIP3 699 10.638 -11.104 19.303 0.00 0.00 WAT1 ATOM 4077 H2 TIP3 699 10.239 -11.754 17.996 0.00 0.00 WAT1 ATOM 4078 OH2 TIP3 700 13.289 -9.374 22.565 0.00 0.00 WAT1 ATOM 4079 H1 TIP3 700 12.557 -9.146 23.138 0.00 0.00 WAT1 ATOM 4080 H2 TIP3 700 13.736 -10.088 23.020 0.00 0.00 WAT1 ATOM 4081 OH2 TIP3 701 4.934 -8.744 24.448 0.00 0.00 WAT1 ATOM 4082 H1 TIP3 701 4.604 -9.114 23.629 0.00 0.00 WAT1 ATOM 4083 H2 TIP3 701 5.522 -9.414 24.794 0.00 0.00 WAT1 ATOM 4084 OH2 TIP3 702 5.301 -9.975 28.081 0.00 0.00 WAT1 ATOM 4085 H1 TIP3 702 5.866 -9.854 27.318 0.00 0.00 WAT1 ATOM 4086 H2 TIP3 702 5.620 -9.338 28.720 0.00 0.00 WAT1 ATOM 4087 OH2 TIP3 703 12.160 -10.212 20.250 0.00 0.00 WAT1 ATOM 4088 H1 TIP3 703 12.739 -10.062 20.997 0.00 0.00 WAT1 ATOM 4089 H2 TIP3 703 12.574 -9.741 19.527 0.00 0.00 WAT1 ATOM 4090 OH2 TIP3 704 3.101 -9.378 32.027 0.00 0.00 WAT1 ATOM 4091 H1 TIP3 704 3.171 -8.727 32.725 0.00 0.00 WAT1 ATOM 4092 H2 TIP3 704 2.210 -9.275 31.692 0.00 0.00 WAT1 ATOM 4093 OH2 TIP3 705 3.924 -9.674 22.037 0.00 0.00 WAT1 ATOM 4094 H1 TIP3 705 3.632 -8.906 21.546 0.00 0.00 WAT1 ATOM 4095 H2 TIP3 705 3.250 -10.334 21.874 0.00 0.00 WAT1 ATOM 4096 OH2 TIP3 706 15.117 -12.372 33.898 0.00 0.00 WAT1 ATOM 4097 H1 TIP3 706 14.710 -11.891 33.178 0.00 0.00 WAT1 ATOM 4098 H2 TIP3 706 15.158 -13.277 33.591 0.00 0.00 WAT1 ATOM 4099 OH2 TIP3 707 13.637 -9.179 17.880 0.00 0.00 WAT1 ATOM 4100 H1 TIP3 707 13.679 -9.402 16.950 0.00 0.00 WAT1 ATOM 4101 H2 TIP3 707 14.486 -8.781 18.070 0.00 0.00 WAT1 ATOM 4102 OH2 TIP3 708 9.611 -11.740 34.203 0.00 0.00 WAT1 ATOM 4103 H1 TIP3 708 9.048 -12.444 34.523 0.00 0.00 WAT1 ATOM 4104 H2 TIP3 708 10.437 -11.860 34.670 0.00 0.00 WAT1 ATOM 4105 OH2 TIP3 709 11.513 -12.469 25.529 0.00 0.00 WAT1 ATOM 4106 H1 TIP3 709 11.318 -11.864 24.814 0.00 0.00 WAT1 ATOM 4107 H2 TIP3 709 11.695 -13.303 25.094 0.00 0.00 WAT1 ATOM 4108 OH2 TIP3 710 2.726 -12.232 30.853 0.00 0.00 WAT1 ATOM 4109 H1 TIP3 710 2.688 -11.832 31.721 0.00 0.00 WAT1 ATOM 4110 H2 TIP3 710 2.235 -13.049 30.943 0.00 0.00 WAT1 ATOM 4111 OH2 TIP3 711 6.092 -14.858 17.651 0.00 0.00 WAT1 ATOM 4112 H1 TIP3 711 5.661 -15.303 18.381 0.00 0.00 WAT1 ATOM 4113 H2 TIP3 711 5.374 -14.486 17.139 0.00 0.00 WAT1 ATOM 4114 OH2 TIP3 712 -0.666 -15.116 24.703 0.00 0.00 WAT1 ATOM 4115 H1 TIP3 712 -0.035 -15.145 25.423 0.00 0.00 WAT1 ATOM 4116 H2 TIP3 712 -0.216 -15.541 23.973 0.00 0.00 WAT1 ATOM 4117 OH2 TIP3 713 0.609 -14.370 20.127 0.00 0.00 WAT1 ATOM 4118 H1 TIP3 713 1.083 -13.779 19.542 0.00 0.00 WAT1 ATOM 4119 H2 TIP3 713 -0.109 -13.839 20.474 0.00 0.00 WAT1 ATOM 4120 OH2 TIP3 714 10.777 -10.831 30.200 0.00 0.00 WAT1 ATOM 4121 H1 TIP3 714 11.101 -11.462 29.557 0.00 0.00 WAT1 ATOM 4122 H2 TIP3 714 10.337 -11.366 30.861 0.00 0.00 WAT1 ATOM 4123 OH2 TIP3 715 6.036 -13.275 21.467 0.00 0.00 WAT1 ATOM 4124 H1 TIP3 715 6.968 -13.146 21.645 0.00 0.00 WAT1 ATOM 4125 H2 TIP3 715 5.821 -12.605 20.818 0.00 0.00 WAT1 ATOM 4126 OH2 TIP3 716 4.710 -12.080 19.034 0.00 0.00 WAT1 ATOM 4127 H1 TIP3 716 4.168 -12.460 18.343 0.00 0.00 WAT1 ATOM 4128 H2 TIP3 716 5.544 -11.886 18.605 0.00 0.00 WAT1 ATOM 4129 OH2 TIP3 717 8.875 -12.116 26.871 0.00 0.00 WAT1 ATOM 4130 H1 TIP3 717 9.439 -12.663 26.324 0.00 0.00 WAT1 ATOM 4131 H2 TIP3 717 8.727 -12.638 27.660 0.00 0.00 WAT1 ATOM 4132 OH2 TIP3 718 15.195 -8.382 29.756 0.00 0.00 WAT1 ATOM 4133 H1 TIP3 718 15.837 -7.925 29.213 0.00 0.00 WAT1 ATOM 4134 H2 TIP3 718 14.365 -8.269 29.294 0.00 0.00 WAT1 ATOM 4135 OH2 TIP3 719 3.170 -8.220 26.739 0.00 0.00 WAT1 ATOM 4136 H1 TIP3 719 3.915 -8.222 26.138 0.00 0.00 WAT1 ATOM 4137 H2 TIP3 719 3.248 -9.044 27.221 0.00 0.00 WAT1 ATOM 4138 OH2 TIP3 720 17.510 -6.824 33.361 0.00 0.00 WAT1 ATOM 4139 H1 TIP3 720 16.658 -6.586 32.994 0.00 0.00 WAT1 ATOM 4140 H2 TIP3 720 18.100 -6.841 32.608 0.00 0.00 WAT1 ATOM 4141 OH2 TIP3 721 13.002 -9.030 28.011 0.00 0.00 WAT1 ATOM 4142 H1 TIP3 721 12.074 -9.262 27.984 0.00 0.00 WAT1 ATOM 4143 H2 TIP3 721 13.453 -9.807 27.681 0.00 0.00 WAT1 ATOM 4144 OH2 TIP3 722 9.067 -12.899 31.619 0.00 0.00 WAT1 ATOM 4145 H1 TIP3 722 9.186 -12.325 32.376 0.00 0.00 WAT1 ATOM 4146 H2 TIP3 722 9.722 -13.587 31.734 0.00 0.00 WAT1 ATOM 4147 OH2 TIP3 723 5.072 -15.741 20.060 0.00 0.00 WAT1 ATOM 4148 H1 TIP3 723 4.989 -14.852 20.406 0.00 0.00 WAT1 ATOM 4149 H2 TIP3 723 5.962 -16.006 20.291 0.00 0.00 WAT1 ATOM 4150 OH2 TIP3 724 13.873 -11.241 26.550 0.00 0.00 WAT1 ATOM 4151 H1 TIP3 724 13.076 -11.656 26.221 0.00 0.00 WAT1 ATOM 4152 H2 TIP3 724 14.318 -11.932 27.041 0.00 0.00 WAT1 ATOM 4153 OH2 TIP3 725 12.971 -7.618 32.170 0.00 0.00 WAT1 ATOM 4154 H1 TIP3 725 13.716 -7.030 32.050 0.00 0.00 WAT1 ATOM 4155 H2 TIP3 725 12.214 -7.036 32.233 0.00 0.00 WAT1 ATOM 4156 OH2 TIP3 726 6.071 -9.188 19.792 0.00 0.00 WAT1 ATOM 4157 H1 TIP3 726 5.612 -9.672 20.478 0.00 0.00 WAT1 ATOM 4158 H2 TIP3 726 6.326 -9.856 19.156 0.00 0.00 WAT1 ATOM 4159 OH2 TIP3 727 5.360 -11.295 32.148 0.00 0.00 WAT1 ATOM 4160 H1 TIP3 727 4.742 -10.620 32.429 0.00 0.00 WAT1 ATOM 4161 H2 TIP3 727 5.704 -10.974 31.315 0.00 0.00 WAT1 ATOM 4162 OH2 TIP3 728 7.142 -10.945 18.055 0.00 0.00 WAT1 ATOM 4163 H1 TIP3 728 6.962 -11.099 17.127 0.00 0.00 WAT1 ATOM 4164 H2 TIP3 728 8.093 -10.837 18.099 0.00 0.00 WAT1 ATOM 4165 OH2 TIP3 729 16.532 -8.590 17.500 0.00 0.00 WAT1 ATOM 4166 H1 TIP3 729 16.259 -9.015 16.687 0.00 0.00 WAT1 ATOM 4167 H2 TIP3 729 16.572 -7.659 17.283 0.00 0.00 WAT1 ATOM 4168 OH2 TIP3 730 5.700 -13.940 33.231 0.00 0.00 WAT1 ATOM 4169 H1 TIP3 730 5.850 -14.669 32.628 0.00 0.00 WAT1 ATOM 4170 H2 TIP3 730 5.702 -13.163 32.672 0.00 0.00 WAT1 ATOM 4171 OH2 TIP3 731 7.694 -10.131 30.963 0.00 0.00 WAT1 ATOM 4172 H1 TIP3 731 8.445 -10.287 30.390 0.00 0.00 WAT1 ATOM 4173 H2 TIP3 731 7.355 -9.279 30.687 0.00 0.00 WAT1 ATOM 4174 OH2 TIP3 732 12.110 -12.316 35.991 0.00 0.00 WAT1 ATOM 4175 H1 TIP3 732 12.302 -13.247 35.880 0.00 0.00 WAT1 ATOM 4176 H2 TIP3 732 12.967 -11.891 35.981 0.00 0.00 WAT1 ATOM 4177 OH2 TIP3 733 13.426 -9.527 34.069 0.00 0.00 WAT1 ATOM 4178 H1 TIP3 733 13.145 -8.818 33.491 0.00 0.00 WAT1 ATOM 4179 H2 TIP3 733 14.369 -9.600 33.918 0.00 0.00 WAT1 ATOM 4180 OH2 TIP3 734 4.178 -12.742 35.142 0.00 0.00 WAT1 ATOM 4181 H1 TIP3 734 3.411 -13.274 34.932 0.00 0.00 WAT1 ATOM 4182 H2 TIP3 734 4.857 -13.052 34.543 0.00 0.00 WAT1 ATOM 4183 OH2 TIP3 735 8.182 -13.792 34.718 0.00 0.00 WAT1 ATOM 4184 H1 TIP3 735 7.946 -14.012 35.620 0.00 0.00 WAT1 ATOM 4185 H2 TIP3 735 7.399 -13.999 34.209 0.00 0.00 WAT1 ATOM 4186 OH2 TIP3 736 10.898 -14.665 33.794 0.00 0.00 WAT1 ATOM 4187 H1 TIP3 736 9.950 -14.633 33.926 0.00 0.00 WAT1 ATOM 4188 H2 TIP3 736 11.210 -15.290 34.448 0.00 0.00 WAT1 ATOM 4189 OH2 TIP3 737 2.359 -14.821 34.847 0.00 0.00 WAT1 ATOM 4190 H1 TIP3 737 2.570 -15.528 34.236 0.00 0.00 WAT1 ATOM 4191 H2 TIP3 737 2.247 -15.259 35.691 0.00 0.00 WAT1 ATOM 4192 OH2 TIP3 738 7.493 -17.137 35.880 0.00 0.00 WAT1 ATOM 4193 H1 TIP3 738 7.362 -17.613 35.059 0.00 0.00 WAT1 ATOM 4194 H2 TIP3 738 6.894 -16.393 35.824 0.00 0.00 WAT1 ATOM 4195 OH2 TIP3 739 16.991 -7.721 21.475 0.00 0.00 WAT1 ATOM 4196 H1 TIP3 739 17.841 -7.300 21.603 0.00 0.00 WAT1 ATOM 4197 H2 TIP3 739 16.996 -8.461 22.083 0.00 0.00 WAT1 ATOM 4198 OH2 TIP3 740 17.385 -9.668 23.299 0.00 0.00 WAT1 ATOM 4199 H1 TIP3 740 16.659 -10.147 23.697 0.00 0.00 WAT1 ATOM 4200 H2 TIP3 740 17.966 -9.462 24.031 0.00 0.00 WAT1 ATOM 4201 OH2 TIP3 741 17.144 -6.883 28.247 0.00 0.00 WAT1 ATOM 4202 H1 TIP3 741 17.978 -7.261 27.966 0.00 0.00 WAT1 ATOM 4203 H2 TIP3 741 17.256 -5.940 28.128 0.00 0.00 WAT1 ATOM 4204 OH2 TIP3 742 17.653 -9.767 19.690 0.00 0.00 WAT1 ATOM 4205 H1 TIP3 742 17.132 -9.410 18.971 0.00 0.00 WAT1 ATOM 4206 H2 TIP3 742 17.620 -9.092 20.368 0.00 0.00 WAT1 ATOM 4207 OH2 TIP3 743 15.172 -11.147 23.862 0.00 0.00 WAT1 ATOM 4208 H1 TIP3 743 15.022 -12.092 23.842 0.00 0.00 WAT1 ATOM 4209 H2 TIP3 743 14.818 -10.866 24.706 0.00 0.00 WAT1 ATOM 4210 OH2 TIP3 744 0.207 -9.069 27.872 0.00 0.00 WAT1 ATOM 4211 H1 TIP3 744 0.391 -9.151 26.937 0.00 0.00 WAT1 ATOM 4212 H2 TIP3 744 1.056 -9.193 28.296 0.00 0.00 WAT1 ATOM 4213 OH2 TIP3 745 16.028 -9.177 33.501 0.00 0.00 WAT1 ATOM 4214 H1 TIP3 745 16.611 -9.911 33.692 0.00 0.00 WAT1 ATOM 4215 H2 TIP3 745 16.592 -8.405 33.547 0.00 0.00 WAT1 ATOM 4216 OH2 TIP3 746 17.525 -11.274 34.185 0.00 0.00 WAT1 ATOM 4217 H1 TIP3 746 16.662 -11.653 34.020 0.00 0.00 WAT1 ATOM 4218 H2 TIP3 746 18.129 -12.013 34.111 0.00 0.00 WAT1 ATOM 4219 OH2 TIP3 747 14.882 -13.564 22.324 0.00 0.00 WAT1 ATOM 4220 H1 TIP3 747 15.162 -14.471 22.449 0.00 0.00 WAT1 ATOM 4221 H2 TIP3 747 15.641 -13.130 21.935 0.00 0.00 WAT1 ATOM 4222 OH2 TIP3 748 -0.195 -13.798 34.013 0.00 0.00 WAT1 ATOM 4223 H1 TIP3 748 0.724 -13.920 34.249 0.00 0.00 WAT1 ATOM 4224 H2 TIP3 748 -0.645 -14.548 34.402 0.00 0.00 WAT1 ATOM 4225 OH2 TIP3 749 -0.670 -12.487 27.973 0.00 0.00 WAT1 ATOM 4226 H1 TIP3 749 -0.178 -12.708 27.183 0.00 0.00 WAT1 ATOM 4227 H2 TIP3 749 -0.308 -11.646 28.254 0.00 0.00 WAT1 ATOM 4228 OH2 TIP3 750 -0.357 -16.229 22.028 0.00 0.00 WAT1 ATOM 4229 H1 TIP3 750 -1.282 -16.020 21.898 0.00 0.00 WAT1 ATOM 4230 H2 TIP3 750 0.097 -15.745 21.338 0.00 0.00 WAT1 ATOM 4231 OH2 TIP3 751 0.920 -18.186 20.006 0.00 0.00 WAT1 ATOM 4232 H1 TIP3 751 1.359 -17.575 19.415 0.00 0.00 WAT1 ATOM 4233 H2 TIP3 751 0.286 -17.648 20.480 0.00 0.00 WAT1 ATOM 4234 OH2 TIP3 752 2.781 -16.270 18.449 0.00 0.00 WAT1 ATOM 4235 H1 TIP3 752 3.272 -16.900 17.921 0.00 0.00 WAT1 ATOM 4236 H2 TIP3 752 3.404 -15.974 19.112 0.00 0.00 WAT1 ATOM 4237 OH2 TIP3 753 9.210 -15.303 37.406 0.00 0.00 WAT1 ATOM 4238 H1 TIP3 753 8.956 -15.284 38.329 0.00 0.00 WAT1 ATOM 4239 H2 TIP3 753 8.953 -16.175 37.105 0.00 0.00 WAT1 ATOM 4240 OH2 TIP3 754 6.092 -14.858 36.507 0.00 0.00 WAT1 ATOM 4241 H1 TIP3 754 5.661 -15.303 37.237 0.00 0.00 WAT1 ATOM 4242 H2 TIP3 754 5.374 -14.486 35.995 0.00 0.00 WAT1 ATOM 4243 OH2 TIP3 755 11.943 -14.701 38.025 0.00 0.00 WAT1 ATOM 4244 H1 TIP3 755 11.005 -14.589 37.874 0.00 0.00 WAT1 ATOM 4245 H2 TIP3 755 12.240 -13.844 38.331 0.00 0.00 WAT1 ATOM 4246 OH2 TIP3 756 11.331 -15.613 40.455 0.00 0.00 WAT1 ATOM 4247 H1 TIP3 756 11.551 -15.141 39.652 0.00 0.00 WAT1 ATOM 4248 H2 TIP3 756 11.889 -15.218 41.126 0.00 0.00 WAT1 ATOM 4249 OH2 TIP3 757 5.072 -15.741 38.916 0.00 0.00 WAT1 ATOM 4250 H1 TIP3 757 4.989 -14.852 39.262 0.00 0.00 WAT1 ATOM 4251 H2 TIP3 757 5.962 -16.006 39.147 0.00 0.00 WAT1 ATOM 4252 OH2 TIP3 758 16.002 -12.527 37.097 0.00 0.00 WAT1 ATOM 4253 H1 TIP3 758 16.099 -11.860 36.417 0.00 0.00 WAT1 ATOM 4254 H2 TIP3 758 15.862 -13.343 36.615 0.00 0.00 WAT1 ATOM 4255 OH2 TIP3 759 15.250 -15.119 36.214 0.00 0.00 WAT1 ATOM 4256 H1 TIP3 759 15.860 -15.491 36.851 0.00 0.00 WAT1 ATOM 4257 H2 TIP3 759 14.413 -15.541 36.410 0.00 0.00 WAT1 ATOM 4258 OH2 TIP3 760 15.496 -16.301 41.229 0.00 0.00 WAT1 ATOM 4259 H1 TIP3 760 15.678 -16.750 42.054 0.00 0.00 WAT1 ATOM 4260 H2 TIP3 760 14.896 -16.886 40.765 0.00 0.00 WAT1 ATOM 4261 OH2 TIP3 761 17.362 -16.234 37.757 0.00 0.00 WAT1 ATOM 4262 H1 TIP3 761 17.775 -16.955 37.281 0.00 0.00 WAT1 ATOM 4263 H2 TIP3 761 18.044 -15.564 37.815 0.00 0.00 WAT1 ATOM 4264 OH2 TIP3 762 0.920 -18.186 38.862 0.00 0.00 WAT1 ATOM 4265 H1 TIP3 762 1.359 -17.575 38.271 0.00 0.00 WAT1 ATOM 4266 H2 TIP3 762 0.286 -17.648 39.336 0.00 0.00 WAT1 ATOM 4267 OH2 TIP3 763 13.573 -18.001 40.214 0.00 0.00 WAT1 ATOM 4268 H1 TIP3 763 12.870 -17.387 40.004 0.00 0.00 WAT1 ATOM 4269 H2 TIP3 763 13.128 -18.839 40.345 0.00 0.00 WAT1 ATOM 4270 OH2 TIP3 764 2.781 -16.270 37.305 0.00 0.00 WAT1 ATOM 4271 H1 TIP3 764 3.272 -16.900 36.777 0.00 0.00 WAT1 ATOM 4272 H2 TIP3 764 3.404 -15.974 37.968 0.00 0.00 WAT1 ATOM 4273 OH2 TIP3 765 7.807 -15.977 39.762 0.00 0.00 WAT1 ATOM 4274 H1 TIP3 765 7.985 -16.623 40.445 0.00 0.00 WAT1 ATOM 4275 H2 TIP3 765 7.753 -15.143 40.229 0.00 0.00 WAT1 ATOM 4276 OH2 TIP3 766 17.147 3.317 -8.865 0.00 0.00 WAT1 ATOM 4277 H1 TIP3 766 17.196 3.927 -8.129 0.00 0.00 WAT1 ATOM 4278 H2 TIP3 766 17.573 3.778 -9.588 0.00 0.00 WAT1 ATOM 4279 OH2 TIP3 767 14.613 2.348 -8.065 0.00 0.00 WAT1 ATOM 4280 H1 TIP3 767 13.877 2.959 -8.103 0.00 0.00 WAT1 ATOM 4281 H2 TIP3 767 15.297 2.763 -8.591 0.00 0.00 WAT1 ATOM 4282 OH2 TIP3 768 7.616 0.435 -10.599 0.00 0.00 WAT1 ATOM 4283 H1 TIP3 768 7.499 -0.514 -10.653 0.00 0.00 WAT1 ATOM 4284 H2 TIP3 768 6.761 0.767 -10.326 0.00 0.00 WAT1 ATOM 4285 OH2 TIP3 769 9.548 1.060 -6.447 0.00 0.00 WAT1 ATOM 4286 H1 TIP3 769 9.968 0.645 -5.694 0.00 0.00 WAT1 ATOM 4287 H2 TIP3 769 8.615 0.882 -6.330 0.00 0.00 WAT1 ATOM 4288 OH2 TIP3 770 11.960 3.187 -9.464 0.00 0.00 WAT1 ATOM 4289 H1 TIP3 770 11.283 3.318 -8.800 0.00 0.00 WAT1 ATOM 4290 H2 TIP3 770 11.474 3.032 -10.274 0.00 0.00 WAT1 ATOM 4291 OH2 TIP3 771 10.547 3.591 -7.210 0.00 0.00 WAT1 ATOM 4292 H1 TIP3 771 11.245 3.665 -6.560 0.00 0.00 WAT1 ATOM 4293 H2 TIP3 771 10.166 2.727 -7.055 0.00 0.00 WAT1 ATOM 4294 OH2 TIP3 772 15.271 3.864 -5.258 0.00 0.00 WAT1 ATOM 4295 H1 TIP3 772 14.355 4.127 -5.346 0.00 0.00 WAT1 ATOM 4296 H2 TIP3 772 15.607 3.861 -6.155 0.00 0.00 WAT1 ATOM 4297 OH2 TIP3 773 6.918 0.742 -6.557 0.00 0.00 WAT1 ATOM 4298 H1 TIP3 773 6.820 1.689 -6.663 0.00 0.00 WAT1 ATOM 4299 H2 TIP3 773 6.175 0.370 -7.033 0.00 0.00 WAT1 ATOM 4300 OH2 TIP3 774 12.532 2.825 -1.913 0.00 0.00 WAT1 ATOM 4301 H1 TIP3 774 12.435 1.873 -1.919 0.00 0.00 WAT1 ATOM 4302 H2 TIP3 774 12.210 3.094 -1.052 0.00 0.00 WAT1 ATOM 4303 OH2 TIP3 775 7.140 0.036 -3.886 0.00 0.00 WAT1 ATOM 4304 H1 TIP3 775 7.852 -0.604 -3.900 0.00 0.00 WAT1 ATOM 4305 H2 TIP3 775 7.039 0.303 -4.800 0.00 0.00 WAT1 ATOM 4306 OH2 TIP3 776 7.493 1.719 -1.832 0.00 0.00 WAT1 ATOM 4307 H1 TIP3 776 7.362 1.243 -2.653 0.00 0.00 WAT1 ATOM 4308 H2 TIP3 776 6.894 2.463 -1.888 0.00 0.00 WAT1 ATOM 4309 OH2 TIP3 777 17.806 0.590 -1.822 0.00 0.00 WAT1 ATOM 4310 H1 TIP3 777 18.156 -0.064 -2.428 0.00 0.00 WAT1 ATOM 4311 H2 TIP3 777 17.953 1.427 -2.262 0.00 0.00 WAT1 ATOM 4312 OH2 TIP3 778 17.326 2.699 -3.473 0.00 0.00 WAT1 ATOM 4313 H1 TIP3 778 16.409 2.970 -3.509 0.00 0.00 WAT1 ATOM 4314 H2 TIP3 778 17.449 2.164 -4.257 0.00 0.00 WAT1 ATOM 4315 OH2 TIP3 779 16.327 0.789 -5.654 0.00 0.00 WAT1 ATOM 4316 H1 TIP3 779 15.514 1.114 -6.042 0.00 0.00 WAT1 ATOM 4317 H2 TIP3 779 16.560 0.029 -6.187 0.00 0.00 WAT1 ATOM 4318 OH2 TIP3 780 9.757 2.238 -11.331 0.00 0.00 WAT1 ATOM 4319 H1 TIP3 780 9.082 1.609 -11.076 0.00 0.00 WAT1 ATOM 4320 H2 TIP3 780 10.321 1.754 -11.934 0.00 0.00 WAT1 ATOM 4321 OH2 TIP3 781 14.899 0.345 -11.219 0.00 0.00 WAT1 ATOM 4322 H1 TIP3 781 15.503 0.893 -11.720 0.00 0.00 WAT1 ATOM 4323 H2 TIP3 781 14.030 0.665 -11.459 0.00 0.00 WAT1 ATOM 4324 OH2 TIP3 782 16.626 1.484 -12.885 0.00 0.00 WAT1 ATOM 4325 H1 TIP3 782 17.238 0.970 -13.412 0.00 0.00 WAT1 ATOM 4326 H2 TIP3 782 17.009 2.362 -12.862 0.00 0.00 WAT1 ATOM 4327 OH2 TIP3 783 12.220 0.829 -12.047 0.00 0.00 WAT1 ATOM 4328 H1 TIP3 783 12.296 0.924 -12.996 0.00 0.00 WAT1 ATOM 4329 H2 TIP3 783 11.944 -0.079 -11.918 0.00 0.00 WAT1 ATOM 4330 OH2 TIP3 784 12.436 0.069 -2.274 0.00 0.00 WAT1 ATOM 4331 H1 TIP3 784 12.512 -0.357 -1.420 0.00 0.00 WAT1 ATOM 4332 H2 TIP3 784 13.329 0.083 -2.616 0.00 0.00 WAT1 ATOM 4333 OH2 TIP3 785 15.858 0.394 1.207 0.00 0.00 WAT1 ATOM 4334 H1 TIP3 785 14.959 0.533 1.502 0.00 0.00 WAT1 ATOM 4335 H2 TIP3 785 16.110 1.225 0.805 0.00 0.00 WAT1 ATOM 4336 OH2 TIP3 786 25.037 -43.288 13.942 0.00 0.00 WAT1 ATOM 4337 H1 TIP3 786 24.725 -42.506 14.398 0.00 0.00 WAT1 ATOM 4338 H2 TIP3 786 24.387 -43.441 13.256 0.00 0.00 WAT1 ATOM 4339 OH2 TIP3 787 23.276 -41.216 14.706 0.00 0.00 WAT1 ATOM 4340 H1 TIP3 787 23.284 -41.352 13.758 0.00 0.00 WAT1 ATOM 4341 H2 TIP3 787 22.360 -41.334 14.958 0.00 0.00 WAT1 ATOM 4342 OH2 TIP3 788 18.873 -45.023 11.996 0.00 0.00 WAT1 ATOM 4343 H1 TIP3 788 18.372 -45.051 11.181 0.00 0.00 WAT1 ATOM 4344 H2 TIP3 788 18.879 -45.929 12.306 0.00 0.00 WAT1 ATOM 4345 OH2 TIP3 789 18.624 -42.243 8.880 0.00 0.00 WAT1 ATOM 4346 H1 TIP3 789 19.570 -42.387 8.861 0.00 0.00 WAT1 ATOM 4347 H2 TIP3 789 18.511 -41.459 9.417 0.00 0.00 WAT1 ATOM 4348 OH2 TIP3 790 21.122 -43.700 13.039 0.00 0.00 WAT1 ATOM 4349 H1 TIP3 790 21.339 -44.061 13.899 0.00 0.00 WAT1 ATOM 4350 H2 TIP3 790 20.267 -44.074 12.829 0.00 0.00 WAT1 ATOM 4351 OH2 TIP3 791 21.701 -45.235 15.277 0.00 0.00 WAT1 ATOM 4352 H1 TIP3 791 22.434 -44.981 15.838 0.00 0.00 WAT1 ATOM 4353 H2 TIP3 791 20.921 -45.031 15.792 0.00 0.00 WAT1 ATOM 4354 OH2 TIP3 792 20.319 -40.913 11.191 0.00 0.00 WAT1 ATOM 4355 H1 TIP3 792 20.536 -41.845 11.160 0.00 0.00 WAT1 ATOM 4356 H2 TIP3 792 20.566 -40.639 12.075 0.00 0.00 WAT1 ATOM 4357 OH2 TIP3 793 19.437 -45.216 16.498 0.00 0.00 WAT1 ATOM 4358 H1 TIP3 793 19.581 -46.118 16.212 0.00 0.00 WAT1 ATOM 4359 H2 TIP3 793 18.664 -44.930 16.010 0.00 0.00 WAT1 ATOM 4360 OH2 TIP3 794 26.092 -45.246 15.931 0.00 0.00 WAT1 ATOM 4361 H1 TIP3 794 25.764 -44.975 15.073 0.00 0.00 WAT1 ATOM 4362 H2 TIP3 794 26.244 -46.187 15.843 0.00 0.00 WAT1 ATOM 4363 OH2 TIP3 795 20.269 -48.016 15.918 0.00 0.00 WAT1 ATOM 4364 H1 TIP3 795 20.677 -48.873 15.797 0.00 0.00 WAT1 ATOM 4365 H2 TIP3 795 20.009 -48.001 16.839 0.00 0.00 WAT1 ATOM 4366 OH2 TIP3 796 20.655 -42.028 15.660 0.00 0.00 WAT1 ATOM 4367 H1 TIP3 796 19.834 -41.853 15.200 0.00 0.00 WAT1 ATOM 4368 H2 TIP3 796 20.403 -42.101 16.581 0.00 0.00 WAT1 ATOM 4369 OH2 TIP3 797 23.609 -41.053 11.919 0.00 0.00 WAT1 ATOM 4370 H1 TIP3 797 23.184 -40.244 11.636 0.00 0.00 WAT1 ATOM 4371 H2 TIP3 797 24.514 -40.968 11.617 0.00 0.00 WAT1 ATOM 4372 OH2 TIP3 798 27.920 -39.654 14.878 0.00 0.00 WAT1 ATOM 4373 H1 TIP3 798 28.105 -39.988 15.756 0.00 0.00 WAT1 ATOM 4374 H2 TIP3 798 28.767 -39.345 14.556 0.00 0.00 WAT1 ATOM 4375 OH2 TIP3 799 23.478 -38.197 10.996 0.00 0.00 WAT1 ATOM 4376 H1 TIP3 799 22.613 -38.125 11.400 0.00 0.00 WAT1 ATOM 4377 H2 TIP3 799 23.423 -37.650 10.212 0.00 0.00 WAT1 ATOM 4378 OH2 TIP3 800 20.426 -39.174 8.877 0.00 0.00 WAT1 ATOM 4379 H1 TIP3 800 20.407 -39.599 9.734 0.00 0.00 WAT1 ATOM 4380 H2 TIP3 800 21.231 -39.492 8.468 0.00 0.00 WAT1 ATOM 4381 OH2 TIP3 801 21.319 -47.670 29.173 0.00 0.00 WAT1 ATOM 4382 H1 TIP3 801 21.361 -48.296 29.897 0.00 0.00 WAT1 ATOM 4383 H2 TIP3 801 22.022 -47.047 29.355 0.00 0.00 WAT1 ATOM 4384 OH2 TIP3 802 18.853 -49.560 23.101 0.00 0.00 WAT1 ATOM 4385 H1 TIP3 802 18.405 -48.714 23.083 0.00 0.00 WAT1 ATOM 4386 H2 TIP3 802 18.292 -50.140 22.586 0.00 0.00 WAT1 ATOM 4387 OH2 TIP3 803 19.563 -47.398 25.227 0.00 0.00 WAT1 ATOM 4388 H1 TIP3 803 19.777 -48.168 25.754 0.00 0.00 WAT1 ATOM 4389 H2 TIP3 803 20.301 -47.309 24.624 0.00 0.00 WAT1 ATOM 4390 OH2 TIP3 804 29.768 -39.241 26.094 0.00 0.00 WAT1 ATOM 4391 H1 TIP3 804 30.388 -39.918 25.821 0.00 0.00 WAT1 ATOM 4392 H2 TIP3 804 29.560 -39.459 27.002 0.00 0.00 WAT1 ATOM 4393 OH2 TIP3 805 27.340 -44.852 27.986 0.00 0.00 WAT1 ATOM 4394 H1 TIP3 805 27.644 -45.538 27.392 0.00 0.00 WAT1 ATOM 4395 H2 TIP3 805 28.062 -44.734 28.604 0.00 0.00 WAT1 ATOM 4396 OH2 TIP3 806 20.256 -49.960 26.348 0.00 0.00 WAT1 ATOM 4397 H1 TIP3 806 20.910 -50.510 26.780 0.00 0.00 WAT1 ATOM 4398 H2 TIP3 806 20.280 -50.234 25.432 0.00 0.00 WAT1 ATOM 4399 OH2 TIP3 807 25.412 -48.410 25.564 0.00 0.00 WAT1 ATOM 4400 H1 TIP3 807 26.028 -48.936 26.073 0.00 0.00 WAT1 ATOM 4401 H2 TIP3 807 24.826 -49.050 25.160 0.00 0.00 WAT1 ATOM 4402 OH2 TIP3 808 29.815 -43.939 23.204 0.00 0.00 WAT1 ATOM 4403 H1 TIP3 808 29.519 -44.261 22.353 0.00 0.00 WAT1 ATOM 4404 H2 TIP3 808 29.491 -43.039 23.246 0.00 0.00 WAT1 ATOM 4405 OH2 TIP3 809 25.015 -45.763 29.948 0.00 0.00 WAT1 ATOM 4406 H1 TIP3 809 24.275 -45.165 30.051 0.00 0.00 WAT1 ATOM 4407 H2 TIP3 809 25.729 -45.209 29.632 0.00 0.00 WAT1 ATOM 4408 OH2 TIP3 810 31.421 -40.725 24.855 0.00 0.00 WAT1 ATOM 4409 H1 TIP3 810 31.846 -41.432 24.370 0.00 0.00 WAT1 ATOM 4410 H2 TIP3 810 31.738 -39.924 24.438 0.00 0.00 WAT1 ATOM 4411 OH2 TIP3 811 23.790 -46.456 24.448 0.00 0.00 WAT1 ATOM 4412 H1 TIP3 811 23.460 -46.826 23.629 0.00 0.00 WAT1 ATOM 4413 H2 TIP3 811 24.378 -47.126 24.794 0.00 0.00 WAT1 ATOM 4414 OH2 TIP3 812 24.157 -47.687 28.081 0.00 0.00 WAT1 ATOM 4415 H1 TIP3 812 24.722 -47.566 27.318 0.00 0.00 WAT1 ATOM 4416 H2 TIP3 812 24.476 -47.050 28.720 0.00 0.00 WAT1 ATOM 4417 OH2 TIP3 813 30.466 -42.184 28.815 0.00 0.00 WAT1 ATOM 4418 H1 TIP3 813 30.225 -41.522 29.463 0.00 0.00 WAT1 ATOM 4419 H2 TIP3 813 30.268 -43.018 29.240 0.00 0.00 WAT1 ATOM 4420 OH2 TIP3 814 21.957 -47.090 32.027 0.00 0.00 WAT1 ATOM 4421 H1 TIP3 814 22.027 -46.439 32.725 0.00 0.00 WAT1 ATOM 4422 H2 TIP3 814 21.066 -46.987 31.692 0.00 0.00 WAT1 ATOM 4423 OH2 TIP3 815 28.742 -41.187 23.685 0.00 0.00 WAT1 ATOM 4424 H1 TIP3 815 29.216 -40.892 24.463 0.00 0.00 WAT1 ATOM 4425 H2 TIP3 815 28.179 -40.449 23.452 0.00 0.00 WAT1 ATOM 4426 OH2 TIP3 816 22.780 -47.386 22.037 0.00 0.00 WAT1 ATOM 4427 H1 TIP3 816 22.488 -46.618 21.546 0.00 0.00 WAT1 ATOM 4428 H2 TIP3 816 22.106 -48.046 21.874 0.00 0.00 WAT1 ATOM 4429 OH2 TIP3 817 27.800 -42.003 32.294 0.00 0.00 WAT1 ATOM 4430 H1 TIP3 817 27.887 -41.177 32.769 0.00 0.00 WAT1 ATOM 4431 H2 TIP3 817 26.936 -42.333 32.543 0.00 0.00 WAT1 ATOM 4432 OH2 TIP3 818 28.214 -38.231 22.100 0.00 0.00 WAT1 ATOM 4433 H1 TIP3 818 28.139 -38.352 21.154 0.00 0.00 WAT1 ATOM 4434 H2 TIP3 818 28.247 -37.281 22.219 0.00 0.00 WAT1 ATOM 4435 OH2 TIP3 819 30.985 -39.151 21.852 0.00 0.00 WAT1 ATOM 4436 H1 TIP3 819 30.050 -39.051 22.031 0.00 0.00 WAT1 ATOM 4437 H2 TIP3 819 31.265 -39.860 22.430 0.00 0.00 WAT1 ATOM 4438 OH2 TIP3 820 21.582 -49.944 30.853 0.00 0.00 WAT1 ATOM 4439 H1 TIP3 820 21.544 -49.544 31.721 0.00 0.00 WAT1 ATOM 4440 H2 TIP3 820 21.091 -50.761 30.943 0.00 0.00 WAT1 ATOM 4441 OH2 TIP3 821 26.901 -45.227 20.970 0.00 0.00 WAT1 ATOM 4442 H1 TIP3 821 26.157 -45.734 20.647 0.00 0.00 WAT1 ATOM 4443 H2 TIP3 821 26.767 -45.178 21.916 0.00 0.00 WAT1 ATOM 4444 OH2 TIP3 822 28.421 -45.043 32.207 0.00 0.00 WAT1 ATOM 4445 H1 TIP3 822 28.075 -45.424 33.013 0.00 0.00 WAT1 ATOM 4446 H2 TIP3 822 28.221 -44.109 32.278 0.00 0.00 WAT1 ATOM 4447 OH2 TIP3 823 22.026 -45.932 26.739 0.00 0.00 WAT1 ATOM 4448 H1 TIP3 823 22.771 -45.934 26.138 0.00 0.00 WAT1 ATOM 4449 H2 TIP3 823 22.104 -46.756 27.221 0.00 0.00 WAT1 ATOM 4450 OH2 TIP3 824 29.027 -43.768 19.995 0.00 0.00 WAT1 ATOM 4451 H1 TIP3 824 28.732 -42.942 20.377 0.00 0.00 WAT1 ATOM 4452 H2 TIP3 824 28.324 -44.388 20.191 0.00 0.00 WAT1 ATOM 4453 OH2 TIP3 825 19.034 -47.471 32.054 0.00 0.00 WAT1 ATOM 4454 H1 TIP3 825 19.257 -47.889 32.886 0.00 0.00 WAT1 ATOM 4455 H2 TIP3 825 18.432 -48.084 31.632 0.00 0.00 WAT1 ATOM 4456 OH2 TIP3 826 26.051 -47.954 34.267 0.00 0.00 WAT1 ATOM 4457 H1 TIP3 826 25.755 -48.120 33.372 0.00 0.00 WAT1 ATOM 4458 H2 TIP3 826 26.982 -48.174 34.257 0.00 0.00 WAT1 ATOM 4459 OH2 TIP3 827 20.156 -47.552 18.731 0.00 0.00 WAT1 ATOM 4460 H1 TIP3 827 20.772 -46.925 19.110 0.00 0.00 WAT1 ATOM 4461 H2 TIP3 827 19.294 -47.236 19.002 0.00 0.00 WAT1 ATOM 4462 OH2 TIP3 828 25.828 -44.751 23.720 0.00 0.00 WAT1 ATOM 4463 H1 TIP3 828 25.587 -43.826 23.762 0.00 0.00 WAT1 ATOM 4464 H2 TIP3 828 25.088 -45.210 24.116 0.00 0.00 WAT1 ATOM 4465 OH2 TIP3 829 26.343 -40.602 30.035 0.00 0.00 WAT1 ATOM 4466 H1 TIP3 829 26.706 -39.747 29.802 0.00 0.00 WAT1 ATOM 4467 H2 TIP3 829 26.875 -40.894 30.776 0.00 0.00 WAT1 ATOM 4468 OH2 TIP3 830 29.887 -44.503 29.736 0.00 0.00 WAT1 ATOM 4469 H1 TIP3 830 29.461 -44.730 30.562 0.00 0.00 WAT1 ATOM 4470 H2 TIP3 830 30.468 -45.241 29.553 0.00 0.00 WAT1 ATOM 4471 OH2 TIP3 831 26.181 -42.462 17.257 0.00 0.00 WAT1 ATOM 4472 H1 TIP3 831 26.420 -43.210 16.709 0.00 0.00 WAT1 ATOM 4473 H2 TIP3 831 25.912 -42.850 18.089 0.00 0.00 WAT1 ATOM 4474 OH2 TIP3 832 27.856 -41.194 20.462 0.00 0.00 WAT1 ATOM 4475 H1 TIP3 832 27.039 -40.697 20.515 0.00 0.00 WAT1 ATOM 4476 H2 TIP3 832 28.385 -40.719 19.822 0.00 0.00 WAT1 ATOM 4477 OH2 TIP3 833 24.127 -40.107 36.020 0.00 0.00 WAT1 ATOM 4478 H1 TIP3 833 24.895 -40.566 36.361 0.00 0.00 WAT1 ATOM 4479 H2 TIP3 833 24.106 -40.333 35.090 0.00 0.00 WAT1 ATOM 4480 OH2 TIP3 834 28.219 -40.599 17.395 0.00 0.00 WAT1 ATOM 4481 H1 TIP3 834 27.575 -41.230 17.717 0.00 0.00 WAT1 ATOM 4482 H2 TIP3 834 28.981 -41.130 17.163 0.00 0.00 WAT1 ATOM 4483 OH2 TIP3 835 23.778 -44.872 17.486 0.00 0.00 WAT1 ATOM 4484 H1 TIP3 835 23.842 -45.666 18.017 0.00 0.00 WAT1 ATOM 4485 H2 TIP3 835 24.431 -44.991 16.797 0.00 0.00 WAT1 ATOM 4486 OH2 TIP3 836 26.092 -45.246 34.787 0.00 0.00 WAT1 ATOM 4487 H1 TIP3 836 25.764 -44.975 33.929 0.00 0.00 WAT1 ATOM 4488 H2 TIP3 836 26.244 -46.187 34.699 0.00 0.00 WAT1 ATOM 4489 OH2 TIP3 837 29.130 -43.825 17.222 0.00 0.00 WAT1 ATOM 4490 H1 TIP3 837 28.862 -43.645 18.123 0.00 0.00 WAT1 ATOM 4491 H2 TIP3 837 28.924 -44.751 17.091 0.00 0.00 WAT1 ATOM 4492 OH2 TIP3 838 20.269 -48.016 34.774 0.00 0.00 WAT1 ATOM 4493 H1 TIP3 838 20.677 -48.873 34.653 0.00 0.00 WAT1 ATOM 4494 H2 TIP3 838 20.009 -48.001 35.695 0.00 0.00 WAT1 ATOM 4495 OH2 TIP3 839 24.927 -46.900 19.792 0.00 0.00 WAT1 ATOM 4496 H1 TIP3 839 24.468 -47.384 20.478 0.00 0.00 WAT1 ATOM 4497 H2 TIP3 839 25.182 -47.568 19.156 0.00 0.00 WAT1 ATOM 4498 OH2 TIP3 840 24.216 -49.007 32.148 0.00 0.00 WAT1 ATOM 4499 H1 TIP3 840 23.598 -48.332 32.429 0.00 0.00 WAT1 ATOM 4500 H2 TIP3 840 24.560 -48.686 31.315 0.00 0.00 WAT1 ATOM 4501 OH2 TIP3 841 25.998 -48.657 18.055 0.00 0.00 WAT1 ATOM 4502 H1 TIP3 841 25.818 -48.811 17.127 0.00 0.00 WAT1 ATOM 4503 H2 TIP3 841 26.949 -48.549 18.099 0.00 0.00 WAT1 ATOM 4504 OH2 TIP3 842 26.550 -47.843 30.963 0.00 0.00 WAT1 ATOM 4505 H1 TIP3 842 27.301 -47.999 30.390 0.00 0.00 WAT1 ATOM 4506 H2 TIP3 842 26.211 -46.991 30.687 0.00 0.00 WAT1 ATOM 4507 OH2 TIP3 843 25.896 -37.966 19.056 0.00 0.00 WAT1 ATOM 4508 H1 TIP3 843 26.829 -37.808 19.200 0.00 0.00 WAT1 ATOM 4509 H2 TIP3 843 25.632 -37.291 18.431 0.00 0.00 WAT1 ATOM 4510 OH2 TIP3 844 19.063 -46.781 27.872 0.00 0.00 WAT1 ATOM 4511 H1 TIP3 844 19.247 -46.863 26.937 0.00 0.00 WAT1 ATOM 4512 H2 TIP3 844 19.912 -46.905 28.296 0.00 0.00 WAT1 ATOM 4513 OH2 TIP3 845 18.661 -51.510 34.013 0.00 0.00 WAT1 ATOM 4514 H1 TIP3 845 19.580 -51.632 34.249 0.00 0.00 WAT1 ATOM 4515 H2 TIP3 845 18.211 -52.260 34.402 0.00 0.00 WAT1 ATOM 4516 OH2 TIP3 846 18.186 -50.199 27.973 0.00 0.00 WAT1 ATOM 4517 H1 TIP3 846 18.678 -50.420 27.183 0.00 0.00 WAT1 ATOM 4518 H2 TIP3 846 18.548 -49.358 28.254 0.00 0.00 WAT1 ATOM 4519 OH2 TIP3 847 27.920 -39.654 33.734 0.00 0.00 WAT1 ATOM 4520 H1 TIP3 847 28.105 -39.988 34.612 0.00 0.00 WAT1 ATOM 4521 H2 TIP3 847 28.767 -39.345 33.412 0.00 0.00 WAT1 ATOM 4522 OH2 TIP3 848 28.189 -38.309 29.028 0.00 0.00 WAT1 ATOM 4523 H1 TIP3 848 27.732 -37.780 28.374 0.00 0.00 WAT1 ATOM 4524 H2 TIP3 848 28.352 -37.706 29.753 0.00 0.00 WAT1 ATOM 4525 OH2 TIP3 849 28.541 -38.740 19.301 0.00 0.00 WAT1 ATOM 4526 H1 TIP3 849 29.407 -38.374 19.123 0.00 0.00 WAT1 ATOM 4527 H2 TIP3 849 28.294 -39.180 18.488 0.00 0.00 WAT1 ATOM 4528 OH2 TIP3 850 22.243 -43.220 46.564 0.00 0.00 WAT1 ATOM 4529 H1 TIP3 850 21.873 -44.022 46.195 0.00 0.00 WAT1 ATOM 4530 H2 TIP3 850 23.184 -43.389 46.611 0.00 0.00 WAT1 ATOM 4531 OH2 TIP3 851 18.853 -49.560 41.957 0.00 0.00 WAT1 ATOM 4532 H1 TIP3 851 18.405 -48.714 41.939 0.00 0.00 WAT1 ATOM 4533 H2 TIP3 851 18.292 -50.140 41.442 0.00 0.00 WAT1 ATOM 4534 OH2 TIP3 852 19.563 -47.398 44.083 0.00 0.00 WAT1 ATOM 4535 H1 TIP3 852 19.777 -48.168 44.610 0.00 0.00 WAT1 ATOM 4536 H2 TIP3 852 20.301 -47.309 43.480 0.00 0.00 WAT1 ATOM 4537 OH2 TIP3 853 23.790 -46.456 43.304 0.00 0.00 WAT1 ATOM 4538 H1 TIP3 853 23.460 -46.826 42.485 0.00 0.00 WAT1 ATOM 4539 H2 TIP3 853 24.378 -47.126 43.650 0.00 0.00 WAT1 ATOM 4540 OH2 TIP3 854 25.157 -43.028 45.985 0.00 0.00 WAT1 ATOM 4541 H1 TIP3 854 25.062 -43.606 45.228 0.00 0.00 WAT1 ATOM 4542 H2 TIP3 854 25.886 -43.399 46.481 0.00 0.00 WAT1 ATOM 4543 OH2 TIP3 855 22.780 -47.386 40.893 0.00 0.00 WAT1 ATOM 4544 H1 TIP3 855 22.488 -46.618 40.402 0.00 0.00 WAT1 ATOM 4545 H2 TIP3 855 22.106 -48.046 40.730 0.00 0.00 WAT1 ATOM 4546 OH2 TIP3 856 18.624 -42.243 46.592 0.00 0.00 WAT1 ATOM 4547 H1 TIP3 856 19.570 -42.387 46.573 0.00 0.00 WAT1 ATOM 4548 H2 TIP3 856 18.511 -41.459 47.129 0.00 0.00 WAT1 ATOM 4549 OH2 TIP3 857 28.214 -38.231 40.956 0.00 0.00 WAT1 ATOM 4550 H1 TIP3 857 28.139 -38.352 40.010 0.00 0.00 WAT1 ATOM 4551 H2 TIP3 857 28.247 -37.281 41.075 0.00 0.00 WAT1 ATOM 4552 OH2 TIP3 858 26.901 -45.227 39.826 0.00 0.00 WAT1 ATOM 4553 H1 TIP3 858 26.157 -45.734 39.503 0.00 0.00 WAT1 ATOM 4554 H2 TIP3 858 26.767 -45.178 40.772 0.00 0.00 WAT1 ATOM 4555 OH2 TIP3 859 22.026 -45.932 45.595 0.00 0.00 WAT1 ATOM 4556 H1 TIP3 859 22.771 -45.934 44.994 0.00 0.00 WAT1 ATOM 4557 H2 TIP3 859 22.104 -46.756 46.077 0.00 0.00 WAT1 ATOM 4558 OH2 TIP3 860 24.401 -42.414 43.000 0.00 0.00 WAT1 ATOM 4559 H1 TIP3 860 24.928 -41.641 42.799 0.00 0.00 WAT1 ATOM 4560 H2 TIP3 860 23.521 -42.189 42.698 0.00 0.00 WAT1 ATOM 4561 OH2 TIP3 861 20.156 -47.552 37.587 0.00 0.00 WAT1 ATOM 4562 H1 TIP3 861 20.772 -46.925 37.966 0.00 0.00 WAT1 ATOM 4563 H2 TIP3 861 19.294 -47.236 37.858 0.00 0.00 WAT1 ATOM 4564 OH2 TIP3 862 25.828 -44.751 42.576 0.00 0.00 WAT1 ATOM 4565 H1 TIP3 862 25.587 -43.826 42.618 0.00 0.00 WAT1 ATOM 4566 H2 TIP3 862 25.088 -45.210 42.972 0.00 0.00 WAT1 ATOM 4567 OH2 TIP3 863 24.512 -39.729 42.121 0.00 0.00 WAT1 ATOM 4568 H1 TIP3 863 23.562 -39.624 42.173 0.00 0.00 WAT1 ATOM 4569 H2 TIP3 863 24.863 -38.909 42.466 0.00 0.00 WAT1 ATOM 4570 OH2 TIP3 864 20.319 -40.913 48.903 0.00 0.00 WAT1 ATOM 4571 H1 TIP3 864 20.536 -41.845 48.872 0.00 0.00 WAT1 ATOM 4572 H2 TIP3 864 20.566 -40.639 49.787 0.00 0.00 WAT1 ATOM 4573 OH2 TIP3 865 26.181 -42.462 36.113 0.00 0.00 WAT1 ATOM 4574 H1 TIP3 865 26.420 -43.210 35.565 0.00 0.00 WAT1 ATOM 4575 H2 TIP3 865 25.912 -42.850 36.945 0.00 0.00 WAT1 ATOM 4576 OH2 TIP3 866 25.118 -42.892 38.569 0.00 0.00 WAT1 ATOM 4577 H1 TIP3 866 25.265 -43.412 39.359 0.00 0.00 WAT1 ATOM 4578 H2 TIP3 866 25.115 -41.985 38.875 0.00 0.00 WAT1 ATOM 4579 OH2 TIP3 867 21.571 -45.639 39.079 0.00 0.00 WAT1 ATOM 4580 H1 TIP3 867 20.885 -45.287 39.646 0.00 0.00 WAT1 ATOM 4581 H2 TIP3 867 22.094 -44.876 38.833 0.00 0.00 WAT1 ATOM 4582 OH2 TIP3 868 27.856 -41.194 39.318 0.00 0.00 WAT1 ATOM 4583 H1 TIP3 868 27.039 -40.697 39.371 0.00 0.00 WAT1 ATOM 4584 H2 TIP3 868 28.385 -40.719 38.678 0.00 0.00 WAT1 ATOM 4585 OH2 TIP3 869 25.194 -40.151 39.300 0.00 0.00 WAT1 ATOM 4586 H1 TIP3 869 25.355 -39.351 38.799 0.00 0.00 WAT1 ATOM 4587 H2 TIP3 869 24.997 -39.844 40.185 0.00 0.00 WAT1 ATOM 4588 OH2 TIP3 870 20.503 -50.361 37.092 0.00 0.00 WAT1 ATOM 4589 H1 TIP3 870 20.458 -49.422 37.271 0.00 0.00 WAT1 ATOM 4590 H2 TIP3 870 19.615 -50.597 36.822 0.00 0.00 WAT1 ATOM 4591 OH2 TIP3 871 28.219 -40.599 36.251 0.00 0.00 WAT1 ATOM 4592 H1 TIP3 871 27.575 -41.230 36.573 0.00 0.00 WAT1 ATOM 4593 H2 TIP3 871 28.981 -41.130 36.019 0.00 0.00 WAT1 ATOM 4594 OH2 TIP3 872 23.778 -44.872 36.342 0.00 0.00 WAT1 ATOM 4595 H1 TIP3 872 23.842 -45.666 36.873 0.00 0.00 WAT1 ATOM 4596 H2 TIP3 872 24.431 -44.991 35.653 0.00 0.00 WAT1 ATOM 4597 OH2 TIP3 873 24.927 -46.900 38.648 0.00 0.00 WAT1 ATOM 4598 H1 TIP3 873 24.468 -47.384 39.334 0.00 0.00 WAT1 ATOM 4599 H2 TIP3 873 25.182 -47.568 38.012 0.00 0.00 WAT1 ATOM 4600 OH2 TIP3 874 25.896 -37.966 37.912 0.00 0.00 WAT1 ATOM 4601 H1 TIP3 874 26.829 -37.808 38.056 0.00 0.00 WAT1 ATOM 4602 H2 TIP3 874 25.632 -37.291 37.287 0.00 0.00 WAT1 ATOM 4603 OH2 TIP3 875 21.011 -37.797 49.678 0.00 0.00 WAT1 ATOM 4604 H1 TIP3 875 20.291 -37.357 49.227 0.00 0.00 WAT1 ATOM 4605 H2 TIP3 875 20.645 -38.048 50.527 0.00 0.00 WAT1 ATOM 4606 OH2 TIP3 876 23.478 -38.197 48.708 0.00 0.00 WAT1 ATOM 4607 H1 TIP3 876 22.613 -38.125 49.112 0.00 0.00 WAT1 ATOM 4608 H2 TIP3 876 23.423 -37.650 47.924 0.00 0.00 WAT1 ATOM 4609 OH2 TIP3 877 20.426 -39.174 46.589 0.00 0.00 WAT1 ATOM 4610 H1 TIP3 877 20.407 -39.599 47.446 0.00 0.00 WAT1 ATOM 4611 H2 TIP3 877 21.231 -39.492 46.180 0.00 0.00 WAT1 ATOM 4612 OH2 TIP3 878 22.567 -40.464 45.244 0.00 0.00 WAT1 ATOM 4613 H1 TIP3 878 22.348 -41.380 45.413 0.00 0.00 WAT1 ATOM 4614 H2 TIP3 878 23.391 -40.324 45.710 0.00 0.00 WAT1 ATOM 4615 OH2 TIP3 879 25.104 -39.994 46.092 0.00 0.00 WAT1 ATOM 4616 H1 TIP3 879 25.317 -40.882 45.805 0.00 0.00 WAT1 ATOM 4617 H2 TIP3 879 25.169 -40.028 47.047 0.00 0.00 WAT1 ATOM 4618 OH2 TIP3 880 28.541 -38.740 38.157 0.00 0.00 WAT1 ATOM 4619 H1 TIP3 880 29.407 -38.374 37.979 0.00 0.00 WAT1 ATOM 4620 H2 TIP3 880 28.294 -39.180 37.344 0.00 0.00 WAT1 ATOM 4621 OH2 TIP3 881 21.011 -18.941 -6.890 0.00 0.00 WAT1 ATOM 4622 H1 TIP3 881 20.291 -18.501 -7.341 0.00 0.00 WAT1 ATOM 4623 H2 TIP3 881 20.645 -19.192 -6.041 0.00 0.00 WAT1 ATOM 4624 OH2 TIP3 882 21.319 -28.814 10.317 0.00 0.00 WAT1 ATOM 4625 H1 TIP3 882 21.361 -29.440 11.041 0.00 0.00 WAT1 ATOM 4626 H2 TIP3 882 22.022 -28.191 10.499 0.00 0.00 WAT1 ATOM 4627 OH2 TIP3 883 22.243 -24.364 8.852 0.00 0.00 WAT1 ATOM 4628 H1 TIP3 883 21.873 -25.166 8.483 0.00 0.00 WAT1 ATOM 4629 H2 TIP3 883 23.184 -24.533 8.899 0.00 0.00 WAT1 ATOM 4630 OH2 TIP3 884 22.446 -34.583 10.804 0.00 0.00 WAT1 ATOM 4631 H1 TIP3 884 22.227 -34.053 10.038 0.00 0.00 WAT1 ATOM 4632 H2 TIP3 884 21.778 -34.356 11.452 0.00 0.00 WAT1 ATOM 4633 OH2 TIP3 885 25.015 -26.907 11.092 0.00 0.00 WAT1 ATOM 4634 H1 TIP3 885 24.275 -26.309 11.195 0.00 0.00 WAT1 ATOM 4635 H2 TIP3 885 25.729 -26.353 10.776 0.00 0.00 WAT1 ATOM 4636 OH2 TIP3 886 22.040 -32.691 8.757 0.00 0.00 WAT1 ATOM 4637 H1 TIP3 886 22.653 -32.058 9.130 0.00 0.00 WAT1 ATOM 4638 H2 TIP3 886 22.552 -33.163 8.100 0.00 0.00 WAT1 ATOM 4639 OH2 TIP3 887 23.423 -24.943 11.879 0.00 0.00 WAT1 ATOM 4640 H1 TIP3 887 23.417 -24.064 11.501 0.00 0.00 WAT1 ATOM 4641 H2 TIP3 887 22.569 -25.026 12.304 0.00 0.00 WAT1 ATOM 4642 OH2 TIP3 888 19.544 -25.272 2.661 0.00 0.00 WAT1 ATOM 4643 H1 TIP3 888 19.272 -25.043 1.772 0.00 0.00 WAT1 ATOM 4644 H2 TIP3 888 19.589 -24.434 3.121 0.00 0.00 WAT1 ATOM 4645 OH2 TIP3 889 24.157 -28.831 9.225 0.00 0.00 WAT1 ATOM 4646 H1 TIP3 889 24.722 -28.710 8.462 0.00 0.00 WAT1 ATOM 4647 H2 TIP3 889 24.476 -28.194 9.864 0.00 0.00 WAT1 ATOM 4648 OH2 TIP3 890 25.037 -24.432 13.942 0.00 0.00 WAT1 ATOM 4649 H1 TIP3 890 24.725 -23.650 14.398 0.00 0.00 WAT1 ATOM 4650 H2 TIP3 890 24.387 -24.585 13.256 0.00 0.00 WAT1 ATOM 4651 OH2 TIP3 891 23.276 -22.360 14.706 0.00 0.00 WAT1 ATOM 4652 H1 TIP3 891 23.284 -22.496 13.758 0.00 0.00 WAT1 ATOM 4653 H2 TIP3 891 22.360 -22.478 14.958 0.00 0.00 WAT1 ATOM 4654 OH2 TIP3 892 18.624 -23.387 8.880 0.00 0.00 WAT1 ATOM 4655 H1 TIP3 892 19.570 -23.531 8.861 0.00 0.00 WAT1 ATOM 4656 H2 TIP3 892 18.511 -22.603 9.417 0.00 0.00 WAT1 ATOM 4657 OH2 TIP3 893 27.800 -23.147 13.438 0.00 0.00 WAT1 ATOM 4658 H1 TIP3 893 27.887 -22.321 13.913 0.00 0.00 WAT1 ATOM 4659 H2 TIP3 893 26.936 -23.477 13.687 0.00 0.00 WAT1 ATOM 4660 OH2 TIP3 894 21.868 -20.586 5.025 0.00 0.00 WAT1 ATOM 4661 H1 TIP3 894 22.020 -20.934 5.904 0.00 0.00 WAT1 ATOM 4662 H2 TIP3 894 21.017 -20.942 4.770 0.00 0.00 WAT1 ATOM 4663 OH2 TIP3 895 23.741 -36.374 9.035 0.00 0.00 WAT1 ATOM 4664 H1 TIP3 895 22.880 -36.461 8.627 0.00 0.00 WAT1 ATOM 4665 H2 TIP3 895 23.719 -35.518 9.462 0.00 0.00 WAT1 ATOM 4666 OH2 TIP3 896 23.832 -31.408 10.130 0.00 0.00 WAT1 ATOM 4667 H1 TIP3 896 23.190 -31.449 10.839 0.00 0.00 WAT1 ATOM 4668 H2 TIP3 896 23.869 -30.482 9.892 0.00 0.00 WAT1 ATOM 4669 OH2 TIP3 897 21.582 -31.088 11.997 0.00 0.00 WAT1 ATOM 4670 H1 TIP3 897 21.544 -30.688 12.865 0.00 0.00 WAT1 ATOM 4671 H2 TIP3 897 21.091 -31.905 12.087 0.00 0.00 WAT1 ATOM 4672 OH2 TIP3 898 22.026 -27.076 7.883 0.00 0.00 WAT1 ATOM 4673 H1 TIP3 898 22.771 -27.078 7.282 0.00 0.00 WAT1 ATOM 4674 H2 TIP3 898 22.104 -27.900 8.365 0.00 0.00 WAT1 ATOM 4675 OH2 TIP3 899 26.051 -29.098 15.411 0.00 0.00 WAT1 ATOM 4676 H1 TIP3 899 25.755 -29.264 14.516 0.00 0.00 WAT1 ATOM 4677 H2 TIP3 899 26.982 -29.318 15.401 0.00 0.00 WAT1 ATOM 4678 OH2 TIP3 900 20.668 -33.862 12.756 0.00 0.00 WAT1 ATOM 4679 H1 TIP3 900 19.775 -33.523 12.689 0.00 0.00 WAT1 ATOM 4680 H2 TIP3 900 20.569 -34.717 13.174 0.00 0.00 WAT1 ATOM 4681 OH2 TIP3 901 21.311 -36.723 8.053 0.00 0.00 WAT1 ATOM 4682 H1 TIP3 901 21.082 -36.664 7.126 0.00 0.00 WAT1 ATOM 4683 H2 TIP3 901 20.868 -37.515 8.360 0.00 0.00 WAT1 ATOM 4684 OH2 TIP3 902 20.241 -22.783 4.214 0.00 0.00 WAT1 ATOM 4685 H1 TIP3 902 19.409 -22.310 4.241 0.00 0.00 WAT1 ATOM 4686 H2 TIP3 902 20.787 -22.273 3.615 0.00 0.00 WAT1 ATOM 4687 OH2 TIP3 903 26.092 -26.390 15.931 0.00 0.00 WAT1 ATOM 4688 H1 TIP3 903 25.764 -26.119 15.073 0.00 0.00 WAT1 ATOM 4689 H2 TIP3 903 26.244 -27.331 15.843 0.00 0.00 WAT1 ATOM 4690 OH2 TIP3 904 24.216 -30.151 13.292 0.00 0.00 WAT1 ATOM 4691 H1 TIP3 904 23.598 -29.476 13.573 0.00 0.00 WAT1 ATOM 4692 H2 TIP3 904 24.560 -29.830 12.459 0.00 0.00 WAT1 ATOM 4693 OH2 TIP3 905 24.556 -32.796 14.375 0.00 0.00 WAT1 ATOM 4694 H1 TIP3 905 24.706 -33.525 13.772 0.00 0.00 WAT1 ATOM 4695 H2 TIP3 905 24.558 -32.019 13.816 0.00 0.00 WAT1 ATOM 4696 OH2 TIP3 906 24.968 -34.426 11.867 0.00 0.00 WAT1 ATOM 4697 H1 TIP3 906 25.504 -33.975 11.215 0.00 0.00 WAT1 ATOM 4698 H2 TIP3 906 24.116 -34.534 11.445 0.00 0.00 WAT1 ATOM 4699 OH2 TIP3 907 26.550 -28.987 12.107 0.00 0.00 WAT1 ATOM 4700 H1 TIP3 907 27.301 -29.143 11.534 0.00 0.00 WAT1 ATOM 4701 H2 TIP3 907 26.211 -28.135 11.831 0.00 0.00 WAT1 ATOM 4702 OH2 TIP3 908 23.034 -31.598 16.286 0.00 0.00 WAT1 ATOM 4703 H1 TIP3 908 22.267 -32.130 16.076 0.00 0.00 WAT1 ATOM 4704 H2 TIP3 908 23.713 -31.908 15.687 0.00 0.00 WAT1 ATOM 4705 OH2 TIP3 909 25.774 -36.970 12.299 0.00 0.00 WAT1 ATOM 4706 H1 TIP3 909 25.676 -36.023 12.193 0.00 0.00 WAT1 ATOM 4707 H2 TIP3 909 25.031 -37.342 11.823 0.00 0.00 WAT1 ATOM 4708 OH2 TIP3 910 27.038 -32.648 15.862 0.00 0.00 WAT1 ATOM 4709 H1 TIP3 910 26.802 -32.868 16.764 0.00 0.00 WAT1 ATOM 4710 H2 TIP3 910 26.255 -32.855 15.353 0.00 0.00 WAT1 ATOM 4711 OH2 TIP3 911 25.996 -37.676 14.970 0.00 0.00 WAT1 ATOM 4712 H1 TIP3 911 26.708 -38.316 14.956 0.00 0.00 WAT1 ATOM 4713 H2 TIP3 911 25.895 -37.409 14.056 0.00 0.00 WAT1 ATOM 4714 OH2 TIP3 912 26.349 -35.993 17.024 0.00 0.00 WAT1 ATOM 4715 H1 TIP3 912 26.218 -36.469 16.203 0.00 0.00 WAT1 ATOM 4716 H2 TIP3 912 25.750 -35.249 16.968 0.00 0.00 WAT1 ATOM 4717 OH2 TIP3 913 19.464 -24.474 -0.317 0.00 0.00 WAT1 ATOM 4718 H1 TIP3 913 20.378 -24.395 -0.044 0.00 0.00 WAT1 ATOM 4719 H2 TIP3 913 19.471 -25.161 -0.984 0.00 0.00 WAT1 ATOM 4720 OH2 TIP3 914 18.983 -21.000 6.565 0.00 0.00 WAT1 ATOM 4721 H1 TIP3 914 18.649 -21.881 6.737 0.00 0.00 WAT1 ATOM 4722 H2 TIP3 914 19.205 -20.655 7.429 0.00 0.00 WAT1 ATOM 4723 OH2 TIP3 915 19.063 -27.925 9.016 0.00 0.00 WAT1 ATOM 4724 H1 TIP3 915 19.247 -28.007 8.081 0.00 0.00 WAT1 ATOM 4725 H2 TIP3 915 19.912 -28.049 9.440 0.00 0.00 WAT1 ATOM 4726 OH2 TIP3 916 19.882 -34.342 8.048 0.00 0.00 WAT1 ATOM 4727 H1 TIP3 916 20.327 -35.134 8.350 0.00 0.00 WAT1 ATOM 4728 H2 TIP3 916 20.348 -33.626 8.479 0.00 0.00 WAT1 ATOM 4729 OH2 TIP3 917 18.186 -31.343 9.117 0.00 0.00 WAT1 ATOM 4730 H1 TIP3 917 18.678 -31.564 8.327 0.00 0.00 WAT1 ATOM 4731 H2 TIP3 917 18.548 -30.502 9.398 0.00 0.00 WAT1 ATOM 4732 OH2 TIP3 918 23.609 -22.197 11.919 0.00 0.00 WAT1 ATOM 4733 H1 TIP3 918 23.184 -21.388 11.636 0.00 0.00 WAT1 ATOM 4734 H2 TIP3 918 24.514 -22.112 11.617 0.00 0.00 WAT1 ATOM 4735 OH2 TIP3 919 27.920 -20.798 14.878 0.00 0.00 WAT1 ATOM 4736 H1 TIP3 919 28.105 -21.132 15.756 0.00 0.00 WAT1 ATOM 4737 H2 TIP3 919 28.767 -20.489 14.556 0.00 0.00 WAT1 ATOM 4738 OH2 TIP3 920 30.265 -19.513 14.122 0.00 0.00 WAT1 ATOM 4739 H1 TIP3 920 30.942 -20.145 13.882 0.00 0.00 WAT1 ATOM 4740 H2 TIP3 920 30.587 -19.111 14.930 0.00 0.00 WAT1 ATOM 4741 OH2 TIP3 921 23.478 -19.341 10.996 0.00 0.00 WAT1 ATOM 4742 H1 TIP3 921 22.613 -19.269 11.400 0.00 0.00 WAT1 ATOM 4743 H2 TIP3 921 23.423 -18.794 10.212 0.00 0.00 WAT1 ATOM 4744 OH2 TIP3 922 20.426 -20.318 8.877 0.00 0.00 WAT1 ATOM 4745 H1 TIP3 922 20.407 -20.743 9.734 0.00 0.00 WAT1 ATOM 4746 H2 TIP3 922 21.231 -20.636 8.468 0.00 0.00 WAT1 ATOM 4747 OH2 TIP3 923 22.567 -21.608 7.532 0.00 0.00 WAT1 ATOM 4748 H1 TIP3 923 22.348 -22.524 7.701 0.00 0.00 WAT1 ATOM 4749 H2 TIP3 923 23.391 -21.468 7.998 0.00 0.00 WAT1 ATOM 4750 OH2 TIP3 924 19.677 -21.094 2.048 0.00 0.00 WAT1 ATOM 4751 H1 TIP3 924 18.992 -21.132 1.380 0.00 0.00 WAT1 ATOM 4752 H2 TIP3 924 19.680 -20.181 2.336 0.00 0.00 WAT1 ATOM 4753 OH2 TIP3 925 29.768 -20.385 26.094 0.00 0.00 WAT1 ATOM 4754 H1 TIP3 925 30.388 -21.062 25.821 0.00 0.00 WAT1 ATOM 4755 H2 TIP3 925 29.560 -20.603 27.002 0.00 0.00 WAT1 ATOM 4756 OH2 TIP3 926 27.340 -25.996 27.986 0.00 0.00 WAT1 ATOM 4757 H1 TIP3 926 27.644 -26.682 27.392 0.00 0.00 WAT1 ATOM 4758 H2 TIP3 926 28.062 -25.878 28.604 0.00 0.00 WAT1 ATOM 4759 OH2 TIP3 927 25.412 -29.554 25.564 0.00 0.00 WAT1 ATOM 4760 H1 TIP3 927 26.028 -30.080 26.073 0.00 0.00 WAT1 ATOM 4761 H2 TIP3 927 24.826 -30.194 25.160 0.00 0.00 WAT1 ATOM 4762 OH2 TIP3 928 29.815 -25.083 23.204 0.00 0.00 WAT1 ATOM 4763 H1 TIP3 928 29.519 -25.405 22.353 0.00 0.00 WAT1 ATOM 4764 H2 TIP3 928 29.491 -24.183 23.246 0.00 0.00 WAT1 ATOM 4765 OH2 TIP3 929 25.015 -26.907 29.948 0.00 0.00 WAT1 ATOM 4766 H1 TIP3 929 24.275 -26.309 30.051 0.00 0.00 WAT1 ATOM 4767 H2 TIP3 929 25.729 -26.353 29.632 0.00 0.00 WAT1 ATOM 4768 OH2 TIP3 930 23.423 -24.943 30.735 0.00 0.00 WAT1 ATOM 4769 H1 TIP3 930 23.417 -24.064 30.357 0.00 0.00 WAT1 ATOM 4770 H2 TIP3 930 22.569 -25.026 31.160 0.00 0.00 WAT1 ATOM 4771 OH2 TIP3 931 26.472 -37.277 27.113 0.00 0.00 WAT1 ATOM 4772 H1 TIP3 931 26.355 -38.226 27.059 0.00 0.00 WAT1 ATOM 4773 H2 TIP3 931 25.617 -36.945 27.386 0.00 0.00 WAT1 ATOM 4774 OH2 TIP3 932 31.421 -21.869 24.855 0.00 0.00 WAT1 ATOM 4775 H1 TIP3 932 31.846 -22.576 24.370 0.00 0.00 WAT1 ATOM 4776 H2 TIP3 932 31.738 -21.068 24.438 0.00 0.00 WAT1 ATOM 4777 OH2 TIP3 933 28.739 -28.440 21.613 0.00 0.00 WAT1 ATOM 4778 H1 TIP3 933 28.027 -27.905 21.262 0.00 0.00 WAT1 ATOM 4779 H2 TIP3 933 29.430 -28.384 20.953 0.00 0.00 WAT1 ATOM 4780 OH2 TIP3 934 25.157 -24.172 27.129 0.00 0.00 WAT1 ATOM 4781 H1 TIP3 934 25.062 -24.750 26.372 0.00 0.00 WAT1 ATOM 4782 H2 TIP3 934 25.886 -24.543 27.625 0.00 0.00 WAT1 ATOM 4783 OH2 TIP3 935 25.037 -24.432 32.798 0.00 0.00 WAT1 ATOM 4784 H1 TIP3 935 24.725 -23.650 33.254 0.00 0.00 WAT1 ATOM 4785 H2 TIP3 935 24.387 -24.585 32.112 0.00 0.00 WAT1 ATOM 4786 OH2 TIP3 936 21.957 -28.234 32.027 0.00 0.00 WAT1 ATOM 4787 H1 TIP3 936 22.027 -27.583 32.725 0.00 0.00 WAT1 ATOM 4788 H2 TIP3 936 21.066 -28.131 31.692 0.00 0.00 WAT1 ATOM 4789 OH2 TIP3 937 28.742 -22.331 23.685 0.00 0.00 WAT1 ATOM 4790 H1 TIP3 937 29.216 -22.036 24.463 0.00 0.00 WAT1 ATOM 4791 H2 TIP3 937 28.179 -21.593 23.452 0.00 0.00 WAT1 ATOM 4792 OH2 TIP3 938 23.276 -22.360 33.562 0.00 0.00 WAT1 ATOM 4793 H1 TIP3 938 23.284 -22.496 32.614 0.00 0.00 WAT1 ATOM 4794 H2 TIP3 938 22.360 -22.478 33.814 0.00 0.00 WAT1 ATOM 4795 OH2 TIP3 939 31.316 -20.221 19.103 0.00 0.00 WAT1 ATOM 4796 H1 TIP3 939 31.691 -20.965 18.632 0.00 0.00 WAT1 ATOM 4797 H2 TIP3 939 31.320 -20.491 20.021 0.00 0.00 WAT1 ATOM 4798 OH2 TIP3 940 30.985 -20.295 21.852 0.00 0.00 WAT1 ATOM 4799 H1 TIP3 940 30.050 -20.195 22.031 0.00 0.00 WAT1 ATOM 4800 H2 TIP3 940 31.265 -21.004 22.430 0.00 0.00 WAT1 ATOM 4801 OH2 TIP3 941 21.122 -24.844 31.895 0.00 0.00 WAT1 ATOM 4802 H1 TIP3 941 21.339 -25.205 32.755 0.00 0.00 WAT1 ATOM 4803 H2 TIP3 941 20.267 -25.218 31.685 0.00 0.00 WAT1 ATOM 4804 OH2 TIP3 942 28.404 -36.652 31.265 0.00 0.00 WAT1 ATOM 4805 H1 TIP3 942 28.824 -37.067 32.018 0.00 0.00 WAT1 ATOM 4806 H2 TIP3 942 27.471 -36.830 31.382 0.00 0.00 WAT1 ATOM 4807 OH2 TIP3 943 28.066 -34.159 18.550 0.00 0.00 WAT1 ATOM 4808 H1 TIP3 943 27.812 -34.140 19.473 0.00 0.00 WAT1 ATOM 4809 H2 TIP3 943 27.809 -35.031 18.249 0.00 0.00 WAT1 ATOM 4810 OH2 TIP3 944 29.365 -30.771 22.715 0.00 0.00 WAT1 ATOM 4811 H1 TIP3 944 28.956 -29.956 22.423 0.00 0.00 WAT1 ATOM 4812 H2 TIP3 944 30.085 -30.911 22.100 0.00 0.00 WAT1 ATOM 4813 OH2 TIP3 945 28.467 -30.596 34.203 0.00 0.00 WAT1 ATOM 4814 H1 TIP3 945 27.904 -31.300 34.523 0.00 0.00 WAT1 ATOM 4815 H2 TIP3 945 29.293 -30.716 34.670 0.00 0.00 WAT1 ATOM 4816 OH2 TIP3 946 29.633 -29.687 30.200 0.00 0.00 WAT1 ATOM 4817 H1 TIP3 946 29.957 -30.318 29.557 0.00 0.00 WAT1 ATOM 4818 H2 TIP3 946 29.193 -30.222 30.861 0.00 0.00 WAT1 ATOM 4819 OH2 TIP3 947 26.411 -33.760 24.984 0.00 0.00 WAT1 ATOM 4820 H1 TIP3 947 25.500 -33.703 25.273 0.00 0.00 WAT1 ATOM 4821 H2 TIP3 947 26.916 -33.820 25.795 0.00 0.00 WAT1 ATOM 4822 OH2 TIP3 948 24.892 -32.131 21.467 0.00 0.00 WAT1 ATOM 4823 H1 TIP3 948 25.824 -32.002 21.645 0.00 0.00 WAT1 ATOM 4824 H2 TIP3 948 24.677 -31.461 20.818 0.00 0.00 WAT1 ATOM 4825 OH2 TIP3 949 23.566 -30.936 19.034 0.00 0.00 WAT1 ATOM 4826 H1 TIP3 949 23.024 -31.316 18.343 0.00 0.00 WAT1 ATOM 4827 H2 TIP3 949 24.400 -30.742 18.605 0.00 0.00 WAT1 ATOM 4828 OH2 TIP3 950 21.701 -26.379 34.133 0.00 0.00 WAT1 ATOM 4829 H1 TIP3 950 22.434 -26.125 34.694 0.00 0.00 WAT1 ATOM 4830 H2 TIP3 950 20.921 -26.175 34.648 0.00 0.00 WAT1 ATOM 4831 OH2 TIP3 951 27.731 -30.972 26.871 0.00 0.00 WAT1 ATOM 4832 H1 TIP3 951 28.295 -31.519 26.324 0.00 0.00 WAT1 ATOM 4833 H2 TIP3 951 27.583 -31.494 27.660 0.00 0.00 WAT1 ATOM 4834 OH2 TIP3 952 26.901 -26.371 20.970 0.00 0.00 WAT1 ATOM 4835 H1 TIP3 952 26.157 -26.878 20.647 0.00 0.00 WAT1 ATOM 4836 H2 TIP3 952 26.767 -26.322 21.916 0.00 0.00 WAT1 ATOM 4837 OH2 TIP3 953 29.027 -24.912 19.995 0.00 0.00 WAT1 ATOM 4838 H1 TIP3 953 28.732 -24.086 20.377 0.00 0.00 WAT1 ATOM 4839 H2 TIP3 953 28.324 -25.532 20.191 0.00 0.00 WAT1 ATOM 4840 OH2 TIP3 954 26.051 -29.098 34.267 0.00 0.00 WAT1 ATOM 4841 H1 TIP3 954 25.755 -29.264 33.372 0.00 0.00 WAT1 ATOM 4842 H2 TIP3 954 26.982 -29.318 34.257 0.00 0.00 WAT1 ATOM 4843 OH2 TIP3 955 25.828 -25.895 23.720 0.00 0.00 WAT1 ATOM 4844 H1 TIP3 955 25.587 -24.970 23.762 0.00 0.00 WAT1 ATOM 4845 H2 TIP3 955 25.088 -26.354 24.116 0.00 0.00 WAT1 ATOM 4846 OH2 TIP3 956 26.343 -21.746 30.035 0.00 0.00 WAT1 ATOM 4847 H1 TIP3 956 26.706 -20.891 29.802 0.00 0.00 WAT1 ATOM 4848 H2 TIP3 956 26.875 -22.038 30.776 0.00 0.00 WAT1 ATOM 4849 OH2 TIP3 957 26.181 -23.606 17.257 0.00 0.00 WAT1 ATOM 4850 H1 TIP3 957 26.420 -24.354 16.709 0.00 0.00 WAT1 ATOM 4851 H2 TIP3 957 25.912 -23.994 18.089 0.00 0.00 WAT1 ATOM 4852 OH2 TIP3 958 29.403 -34.121 30.502 0.00 0.00 WAT1 ATOM 4853 H1 TIP3 958 30.101 -34.047 31.152 0.00 0.00 WAT1 ATOM 4854 H2 TIP3 958 29.022 -34.985 30.657 0.00 0.00 WAT1 ATOM 4855 OH2 TIP3 959 30.187 -34.469 21.599 0.00 0.00 WAT1 ATOM 4856 H1 TIP3 959 30.407 -33.997 20.796 0.00 0.00 WAT1 ATOM 4857 H2 TIP3 959 30.745 -34.074 22.270 0.00 0.00 WAT1 ATOM 4858 OH2 TIP3 960 27.387 -32.741 22.434 0.00 0.00 WAT1 ATOM 4859 H1 TIP3 960 28.199 -32.237 22.480 0.00 0.00 WAT1 ATOM 4860 H2 TIP3 960 27.142 -32.886 23.348 0.00 0.00 WAT1 ATOM 4861 OH2 TIP3 961 27.923 -31.755 31.619 0.00 0.00 WAT1 ATOM 4862 H1 TIP3 961 28.042 -31.181 32.376 0.00 0.00 WAT1 ATOM 4863 H2 TIP3 961 28.578 -32.443 31.734 0.00 0.00 WAT1 ATOM 4864 OH2 TIP3 962 28.271 -35.660 23.372 0.00 0.00 WAT1 ATOM 4865 H1 TIP3 962 27.924 -35.042 24.017 0.00 0.00 WAT1 ATOM 4866 H2 TIP3 962 28.929 -35.159 22.891 0.00 0.00 WAT1 ATOM 4867 OH2 TIP3 963 24.127 -21.251 36.020 0.00 0.00 WAT1 ATOM 4868 H1 TIP3 963 24.895 -21.710 36.361 0.00 0.00 WAT1 ATOM 4869 H2 TIP3 963 24.106 -21.477 35.090 0.00 0.00 WAT1 ATOM 4870 OH2 TIP3 964 28.219 -21.743 17.395 0.00 0.00 WAT1 ATOM 4871 H1 TIP3 964 27.575 -22.374 17.717 0.00 0.00 WAT1 ATOM 4872 H2 TIP3 964 28.981 -22.274 17.163 0.00 0.00 WAT1 ATOM 4873 OH2 TIP3 965 19.437 -26.360 35.354 0.00 0.00 WAT1 ATOM 4874 H1 TIP3 965 19.581 -27.262 35.068 0.00 0.00 WAT1 ATOM 4875 H2 TIP3 965 18.664 -26.074 34.866 0.00 0.00 WAT1 ATOM 4876 OH2 TIP3 966 29.130 -24.969 17.222 0.00 0.00 WAT1 ATOM 4877 H1 TIP3 966 28.862 -24.789 18.123 0.00 0.00 WAT1 ATOM 4878 H2 TIP3 966 28.924 -25.895 17.091 0.00 0.00 WAT1 ATOM 4879 OH2 TIP3 967 24.927 -28.044 19.792 0.00 0.00 WAT1 ATOM 4880 H1 TIP3 967 24.468 -28.528 20.478 0.00 0.00 WAT1 ATOM 4881 H2 TIP3 967 25.182 -28.712 19.156 0.00 0.00 WAT1 ATOM 4882 OH2 TIP3 968 24.216 -30.151 32.148 0.00 0.00 WAT1 ATOM 4883 H1 TIP3 968 23.598 -29.476 32.429 0.00 0.00 WAT1 ATOM 4884 H2 TIP3 968 24.560 -29.830 31.315 0.00 0.00 WAT1 ATOM 4885 OH2 TIP3 969 25.998 -29.801 18.055 0.00 0.00 WAT1 ATOM 4886 H1 TIP3 969 25.818 -29.955 17.127 0.00 0.00 WAT1 ATOM 4887 H2 TIP3 969 26.949 -29.693 18.099 0.00 0.00 WAT1 ATOM 4888 OH2 TIP3 970 26.550 -28.987 30.963 0.00 0.00 WAT1 ATOM 4889 H1 TIP3 970 27.301 -29.143 30.390 0.00 0.00 WAT1 ATOM 4890 H2 TIP3 970 26.211 -28.135 30.687 0.00 0.00 WAT1 ATOM 4891 OH2 TIP3 971 23.034 -31.598 35.142 0.00 0.00 WAT1 ATOM 4892 H1 TIP3 971 22.267 -32.130 34.932 0.00 0.00 WAT1 ATOM 4893 H2 TIP3 971 23.713 -31.908 34.543 0.00 0.00 WAT1 ATOM 4894 OH2 TIP3 972 25.774 -36.970 31.155 0.00 0.00 WAT1 ATOM 4895 H1 TIP3 972 25.676 -36.023 31.049 0.00 0.00 WAT1 ATOM 4896 H2 TIP3 972 25.031 -37.342 30.679 0.00 0.00 WAT1 ATOM 4897 OH2 TIP3 973 27.038 -32.648 34.718 0.00 0.00 WAT1 ATOM 4898 H1 TIP3 973 26.802 -32.868 35.620 0.00 0.00 WAT1 ATOM 4899 H2 TIP3 973 26.255 -32.855 34.209 0.00 0.00 WAT1 ATOM 4900 OH2 TIP3 974 29.754 -33.521 33.794 0.00 0.00 WAT1 ATOM 4901 H1 TIP3 974 28.806 -33.489 33.926 0.00 0.00 WAT1 ATOM 4902 H2 TIP3 974 30.066 -34.146 34.448 0.00 0.00 WAT1 ATOM 4903 OH2 TIP3 975 21.215 -33.677 34.847 0.00 0.00 WAT1 ATOM 4904 H1 TIP3 975 21.426 -34.384 34.236 0.00 0.00 WAT1 ATOM 4905 H2 TIP3 975 21.103 -34.115 35.691 0.00 0.00 WAT1 ATOM 4906 OH2 TIP3 976 25.996 -37.676 33.826 0.00 0.00 WAT1 ATOM 4907 H1 TIP3 976 26.708 -38.316 33.812 0.00 0.00 WAT1 ATOM 4908 H2 TIP3 976 25.895 -37.409 32.912 0.00 0.00 WAT1 ATOM 4909 OH2 TIP3 977 26.349 -35.993 35.880 0.00 0.00 WAT1 ATOM 4910 H1 TIP3 977 26.218 -36.469 35.059 0.00 0.00 WAT1 ATOM 4911 H2 TIP3 977 25.750 -35.249 35.824 0.00 0.00 WAT1 ATOM 4912 OH2 TIP3 978 20.655 -23.172 34.516 0.00 0.00 WAT1 ATOM 4913 H1 TIP3 978 19.834 -22.997 34.056 0.00 0.00 WAT1 ATOM 4914 H2 TIP3 978 20.403 -23.245 35.437 0.00 0.00 WAT1 ATOM 4915 OH2 TIP3 979 23.609 -22.197 30.775 0.00 0.00 WAT1 ATOM 4916 H1 TIP3 979 23.184 -21.388 30.492 0.00 0.00 WAT1 ATOM 4917 H2 TIP3 979 24.514 -22.112 30.473 0.00 0.00 WAT1 ATOM 4918 OH2 TIP3 980 27.920 -20.798 33.734 0.00 0.00 WAT1 ATOM 4919 H1 TIP3 980 28.105 -21.132 34.612 0.00 0.00 WAT1 ATOM 4920 H2 TIP3 980 28.767 -20.489 33.412 0.00 0.00 WAT1 ATOM 4921 OH2 TIP3 981 21.011 -18.941 30.822 0.00 0.00 WAT1 ATOM 4922 H1 TIP3 981 20.291 -18.501 30.371 0.00 0.00 WAT1 ATOM 4923 H2 TIP3 981 20.645 -19.192 31.671 0.00 0.00 WAT1 ATOM 4924 OH2 TIP3 982 23.478 -19.341 29.852 0.00 0.00 WAT1 ATOM 4925 H1 TIP3 982 22.613 -19.269 30.256 0.00 0.00 WAT1 ATOM 4926 H2 TIP3 982 23.423 -18.794 29.068 0.00 0.00 WAT1 ATOM 4927 OH2 TIP3 983 28.189 -19.453 29.028 0.00 0.00 WAT1 ATOM 4928 H1 TIP3 983 27.732 -18.924 28.374 0.00 0.00 WAT1 ATOM 4929 H2 TIP3 983 28.352 -18.850 29.753 0.00 0.00 WAT1 ATOM 4930 OH2 TIP3 984 25.104 -21.138 27.236 0.00 0.00 WAT1 ATOM 4931 H1 TIP3 984 25.317 -22.026 26.949 0.00 0.00 WAT1 ATOM 4932 H2 TIP3 984 25.169 -21.172 28.191 0.00 0.00 WAT1 ATOM 4933 OH2 TIP3 985 28.613 -35.474 26.381 0.00 0.00 WAT1 ATOM 4934 H1 TIP3 985 27.938 -36.103 26.636 0.00 0.00 WAT1 ATOM 4935 H2 TIP3 985 29.177 -35.958 25.778 0.00 0.00 WAT1 ATOM 4936 OH2 TIP3 986 31.076 -36.883 25.665 0.00 0.00 WAT1 ATOM 4937 H1 TIP3 986 31.152 -36.788 24.716 0.00 0.00 WAT1 ATOM 4938 H2 TIP3 986 30.800 -37.791 25.794 0.00 0.00 WAT1 ATOM 4939 OH2 TIP3 987 26.663 -34.833 20.906 0.00 0.00 WAT1 ATOM 4940 H1 TIP3 987 26.841 -35.479 21.589 0.00 0.00 WAT1 ATOM 4941 H2 TIP3 987 26.609 -33.999 21.373 0.00 0.00 WAT1 ATOM 4942 OH2 TIP3 988 21.319 -28.814 48.029 0.00 0.00 WAT1 ATOM 4943 H1 TIP3 988 21.361 -29.440 48.753 0.00 0.00 WAT1 ATOM 4944 H2 TIP3 988 22.022 -28.191 48.211 0.00 0.00 WAT1 ATOM 4945 OH2 TIP3 989 19.563 -28.542 44.083 0.00 0.00 WAT1 ATOM 4946 H1 TIP3 989 19.777 -29.312 44.610 0.00 0.00 WAT1 ATOM 4947 H2 TIP3 989 20.301 -28.453 43.480 0.00 0.00 WAT1 ATOM 4948 OH2 TIP3 990 25.412 -29.554 44.420 0.00 0.00 WAT1 ATOM 4949 H1 TIP3 990 26.028 -30.080 44.929 0.00 0.00 WAT1 ATOM 4950 H2 TIP3 990 24.826 -30.194 44.016 0.00 0.00 WAT1 ATOM 4951 OH2 TIP3 991 22.446 -34.583 48.516 0.00 0.00 WAT1 ATOM 4952 H1 TIP3 991 22.227 -34.053 47.750 0.00 0.00 WAT1 ATOM 4953 H2 TIP3 991 21.778 -34.356 49.164 0.00 0.00 WAT1 ATOM 4954 OH2 TIP3 992 19.544 -25.272 40.373 0.00 0.00 WAT1 ATOM 4955 H1 TIP3 992 19.272 -25.043 39.484 0.00 0.00 WAT1 ATOM 4956 H2 TIP3 992 19.589 -24.434 40.833 0.00 0.00 WAT1 ATOM 4957 OH2 TIP3 993 26.472 -37.277 45.969 0.00 0.00 WAT1 ATOM 4958 H1 TIP3 993 26.355 -38.226 45.915 0.00 0.00 WAT1 ATOM 4959 H2 TIP3 993 25.617 -36.945 46.242 0.00 0.00 WAT1 ATOM 4960 OH2 TIP3 994 23.790 -27.600 43.304 0.00 0.00 WAT1 ATOM 4961 H1 TIP3 994 23.460 -27.970 42.485 0.00 0.00 WAT1 ATOM 4962 H2 TIP3 994 24.378 -28.270 43.650 0.00 0.00 WAT1 ATOM 4963 OH2 TIP3 995 24.157 -28.831 46.937 0.00 0.00 WAT1 ATOM 4964 H1 TIP3 995 24.722 -28.710 46.174 0.00 0.00 WAT1 ATOM 4965 H2 TIP3 995 24.476 -28.194 47.576 0.00 0.00 WAT1 ATOM 4966 OH2 TIP3 996 21.957 -28.234 50.883 0.00 0.00 WAT1 ATOM 4967 H1 TIP3 996 22.027 -27.583 51.581 0.00 0.00 WAT1 ATOM 4968 H2 TIP3 996 21.066 -28.131 50.548 0.00 0.00 WAT1 ATOM 4969 OH2 TIP3 997 22.780 -28.530 40.893 0.00 0.00 WAT1 ATOM 4970 H1 TIP3 997 22.488 -27.762 40.402 0.00 0.00 WAT1 ATOM 4971 H2 TIP3 997 22.106 -29.190 40.730 0.00 0.00 WAT1 ATOM 4972 OH2 TIP3 998 18.873 -26.167 49.708 0.00 0.00 WAT1 ATOM 4973 H1 TIP3 998 18.372 -26.195 48.893 0.00 0.00 WAT1 ATOM 4974 H2 TIP3 998 18.879 -27.073 50.018 0.00 0.00 WAT1 ATOM 4975 OH2 TIP3 999 18.624 -23.387 46.592 0.00 0.00 WAT1 ATOM 4976 H1 TIP3 999 19.570 -23.531 46.573 0.00 0.00 WAT1 ATOM 4977 H2 TIP3 999 18.511 -22.603 47.129 0.00 0.00 WAT1 ATOM 4978 OH2 TIP3 1000 23.741 -36.374 46.747 0.00 0.00 WAT1 ATOM 4979 H1 TIP3 1000 22.880 -36.461 46.339 0.00 0.00 WAT1 ATOM 4980 H2 TIP3 1000 23.719 -35.518 47.174 0.00 0.00 WAT1 ATOM 4981 OH2 TIP3 1001 23.832 -31.408 47.842 0.00 0.00 WAT1 ATOM 4982 H1 TIP3 1001 23.190 -31.449 48.551 0.00 0.00 WAT1 ATOM 4983 H2 TIP3 1001 23.869 -30.482 47.604 0.00 0.00 WAT1 ATOM 4984 OH2 TIP3 1002 23.829 -31.187 42.754 0.00 0.00 WAT1 ATOM 4985 H1 TIP3 1002 22.936 -31.528 42.695 0.00 0.00 WAT1 ATOM 4986 H2 TIP3 1002 24.280 -31.564 41.998 0.00 0.00 WAT1 ATOM 4987 OH2 TIP3 1003 21.582 -31.088 49.709 0.00 0.00 WAT1 ATOM 4988 H1 TIP3 1003 21.544 -30.688 50.577 0.00 0.00 WAT1 ATOM 4989 H2 TIP3 1003 21.091 -31.905 49.799 0.00 0.00 WAT1 ATOM 4990 OH2 TIP3 1004 24.948 -33.714 36.507 0.00 0.00 WAT1 ATOM 4991 H1 TIP3 1004 24.517 -34.159 37.237 0.00 0.00 WAT1 ATOM 4992 H2 TIP3 1004 24.230 -33.342 35.995 0.00 0.00 WAT1 ATOM 4993 OH2 TIP3 1005 26.411 -33.760 43.840 0.00 0.00 WAT1 ATOM 4994 H1 TIP3 1005 25.500 -33.703 44.129 0.00 0.00 WAT1 ATOM 4995 H2 TIP3 1005 26.916 -33.820 44.651 0.00 0.00 WAT1 ATOM 4996 OH2 TIP3 1006 24.892 -32.131 40.323 0.00 0.00 WAT1 ATOM 4997 H1 TIP3 1006 25.824 -32.002 40.501 0.00 0.00 WAT1 ATOM 4998 H2 TIP3 1006 24.677 -31.461 39.674 0.00 0.00 WAT1 ATOM 4999 OH2 TIP3 1007 23.566 -30.936 37.890 0.00 0.00 WAT1 ATOM 5000 H1 TIP3 1007 23.024 -31.316 37.199 0.00 0.00 WAT1 ATOM 5001 H2 TIP3 1007 24.400 -30.742 37.461 0.00 0.00 WAT1 ATOM 5002 OH2 TIP3 1008 27.731 -30.972 45.727 0.00 0.00 WAT1 ATOM 5003 H1 TIP3 1008 28.295 -31.519 45.180 0.00 0.00 WAT1 ATOM 5004 H2 TIP3 1008 27.583 -31.494 46.516 0.00 0.00 WAT1 ATOM 5005 OH2 TIP3 1009 26.357 -32.584 48.141 0.00 0.00 WAT1 ATOM 5006 H1 TIP3 1009 25.522 -32.130 48.251 0.00 0.00 WAT1 ATOM 5007 H2 TIP3 1009 26.881 -32.308 48.893 0.00 0.00 WAT1 ATOM 5008 OH2 TIP3 1010 22.026 -27.076 45.595 0.00 0.00 WAT1 ATOM 5009 H1 TIP3 1010 22.771 -27.078 44.994 0.00 0.00 WAT1 ATOM 5010 H2 TIP3 1010 22.104 -27.900 46.077 0.00 0.00 WAT1 ATOM 5011 OH2 TIP3 1011 19.034 -28.615 50.910 0.00 0.00 WAT1 ATOM 5012 H1 TIP3 1011 19.257 -29.033 51.742 0.00 0.00 WAT1 ATOM 5013 H2 TIP3 1011 18.432 -29.228 50.488 0.00 0.00 WAT1 ATOM 5014 OH2 TIP3 1012 20.156 -28.696 37.587 0.00 0.00 WAT1 ATOM 5015 H1 TIP3 1012 20.772 -28.069 37.966 0.00 0.00 WAT1 ATOM 5016 H2 TIP3 1012 19.294 -28.380 37.858 0.00 0.00 WAT1 ATOM 5017 OH2 TIP3 1013 20.668 -33.862 50.468 0.00 0.00 WAT1 ATOM 5018 H1 TIP3 1013 19.775 -33.523 50.401 0.00 0.00 WAT1 ATOM 5019 H2 TIP3 1013 20.569 -34.717 50.886 0.00 0.00 WAT1 ATOM 5020 OH2 TIP3 1014 21.571 -26.783 39.079 0.00 0.00 WAT1 ATOM 5021 H1 TIP3 1014 20.885 -26.431 39.646 0.00 0.00 WAT1 ATOM 5022 H2 TIP3 1014 22.094 -26.020 38.833 0.00 0.00 WAT1 ATOM 5023 OH2 TIP3 1015 27.387 -32.741 41.290 0.00 0.00 WAT1 ATOM 5024 H1 TIP3 1015 28.199 -32.237 41.336 0.00 0.00 WAT1 ATOM 5025 H2 TIP3 1015 27.142 -32.886 42.204 0.00 0.00 WAT1 ATOM 5026 OH2 TIP3 1016 28.271 -35.660 42.228 0.00 0.00 WAT1 ATOM 5027 H1 TIP3 1016 27.924 -35.042 42.873 0.00 0.00 WAT1 ATOM 5028 H2 TIP3 1016 28.929 -35.159 41.747 0.00 0.00 WAT1 ATOM 5029 OH2 TIP3 1017 23.928 -34.597 38.916 0.00 0.00 WAT1 ATOM 5030 H1 TIP3 1017 23.845 -33.708 39.262 0.00 0.00 WAT1 ATOM 5031 H2 TIP3 1017 24.818 -34.862 39.147 0.00 0.00 WAT1 ATOM 5032 OH2 TIP3 1018 22.187 -24.169 37.976 0.00 0.00 WAT1 ATOM 5033 H1 TIP3 1018 22.779 -23.470 38.252 0.00 0.00 WAT1 ATOM 5034 H2 TIP3 1018 22.646 -24.602 37.257 0.00 0.00 WAT1 ATOM 5035 OH2 TIP3 1019 20.503 -31.505 37.092 0.00 0.00 WAT1 ATOM 5036 H1 TIP3 1019 20.458 -30.566 37.271 0.00 0.00 WAT1 ATOM 5037 H2 TIP3 1019 19.615 -31.741 36.822 0.00 0.00 WAT1 ATOM 5038 OH2 TIP3 1020 20.241 -22.783 41.926 0.00 0.00 WAT1 ATOM 5039 H1 TIP3 1020 19.409 -22.310 41.953 0.00 0.00 WAT1 ATOM 5040 H2 TIP3 1020 20.787 -22.273 41.327 0.00 0.00 WAT1 ATOM 5041 OH2 TIP3 1021 23.778 -26.016 36.342 0.00 0.00 WAT1 ATOM 5042 H1 TIP3 1021 23.842 -26.810 36.873 0.00 0.00 WAT1 ATOM 5043 H2 TIP3 1021 24.431 -26.135 35.653 0.00 0.00 WAT1 ATOM 5044 OH2 TIP3 1022 24.216 -30.151 51.004 0.00 0.00 WAT1 ATOM 5045 H1 TIP3 1022 23.598 -29.476 51.285 0.00 0.00 WAT1 ATOM 5046 H2 TIP3 1022 24.560 -29.830 50.171 0.00 0.00 WAT1 ATOM 5047 OH2 TIP3 1023 24.968 -34.426 49.579 0.00 0.00 WAT1 ATOM 5048 H1 TIP3 1023 25.504 -33.975 48.927 0.00 0.00 WAT1 ATOM 5049 H2 TIP3 1023 24.116 -34.534 49.157 0.00 0.00 WAT1 ATOM 5050 OH2 TIP3 1024 25.896 -19.110 37.912 0.00 0.00 WAT1 ATOM 5051 H1 TIP3 1024 26.829 -18.952 38.056 0.00 0.00 WAT1 ATOM 5052 H2 TIP3 1024 25.632 -18.435 37.287 0.00 0.00 WAT1 ATOM 5053 OH2 TIP3 1025 19.464 -24.474 37.395 0.00 0.00 WAT1 ATOM 5054 H1 TIP3 1025 20.378 -24.395 37.668 0.00 0.00 WAT1 ATOM 5055 H2 TIP3 1025 19.471 -25.161 36.728 0.00 0.00 WAT1 ATOM 5056 OH2 TIP3 1026 18.113 -19.081 42.472 0.00 0.00 WAT1 ATOM 5057 H1 TIP3 1026 17.466 -19.543 41.939 0.00 0.00 WAT1 ATOM 5058 H2 TIP3 1026 18.468 -19.753 43.055 0.00 0.00 WAT1 ATOM 5059 OH2 TIP3 1027 19.063 -27.925 46.728 0.00 0.00 WAT1 ATOM 5060 H1 TIP3 1027 19.247 -28.007 45.793 0.00 0.00 WAT1 ATOM 5061 H2 TIP3 1027 19.912 -28.049 47.152 0.00 0.00 WAT1 ATOM 5062 OH2 TIP3 1028 18.661 -32.654 52.869 0.00 0.00 WAT1 ATOM 5063 H1 TIP3 1028 19.580 -32.776 53.105 0.00 0.00 WAT1 ATOM 5064 H2 TIP3 1028 18.211 -33.404 53.258 0.00 0.00 WAT1 ATOM 5065 OH2 TIP3 1029 18.463 -36.347 49.228 0.00 0.00 WAT1 ATOM 5066 H1 TIP3 1029 17.798 -36.593 49.871 0.00 0.00 WAT1 ATOM 5067 H2 TIP3 1029 18.020 -35.725 48.651 0.00 0.00 WAT1 ATOM 5068 OH2 TIP3 1030 25.519 -36.913 42.872 0.00 0.00 WAT1 ATOM 5069 H1 TIP3 1030 26.393 -36.525 42.842 0.00 0.00 WAT1 ATOM 5070 H2 TIP3 1030 25.383 -37.128 43.795 0.00 0.00 WAT1 ATOM 5071 OH2 TIP3 1031 19.677 -21.094 39.760 0.00 0.00 WAT1 ATOM 5072 H1 TIP3 1031 18.992 -21.132 39.092 0.00 0.00 WAT1 ATOM 5073 H2 TIP3 1031 19.680 -20.181 40.048 0.00 0.00 WAT1 ATOM 5074 OH2 TIP3 1032 21.637 -35.126 37.305 0.00 0.00 WAT1 ATOM 5075 H1 TIP3 1032 22.128 -35.756 36.777 0.00 0.00 WAT1 ATOM 5076 H2 TIP3 1032 22.260 -34.830 37.968 0.00 0.00 WAT1 ATOM 5077 OH2 TIP3 1033 26.663 -34.833 39.762 0.00 0.00 WAT1 ATOM 5078 H1 TIP3 1033 26.841 -35.479 40.445 0.00 0.00 WAT1 ATOM 5079 H2 TIP3 1033 26.609 -33.999 40.229 0.00 0.00 WAT1 ATOM 5080 OH2 TIP3 1034 20.897 -36.326 52.576 0.00 0.00 WAT1 ATOM 5081 H1 TIP3 1034 20.531 -37.091 53.019 0.00 0.00 WAT1 ATOM 5082 H2 TIP3 1034 21.810 -36.297 52.863 0.00 0.00 WAT1 ATOM 5083 OH2 TIP3 1035 21.495 -20.174 36.785 0.00 0.00 WAT1 ATOM 5084 H1 TIP3 1035 21.227 -19.887 37.658 0.00 0.00 WAT1 ATOM 5085 H2 TIP3 1035 22.266 -20.720 36.937 0.00 0.00 WAT1 ATOM 5086 OH2 TIP3 1036 21.319 -9.958 -8.539 0.00 0.00 WAT1 ATOM 5087 H1 TIP3 1036 21.361 -10.584 -7.815 0.00 0.00 WAT1 ATOM 5088 H2 TIP3 1036 22.022 -9.335 -8.357 0.00 0.00 WAT1 ATOM 5089 OH2 TIP3 1037 22.243 -5.508 -10.004 0.00 0.00 WAT1 ATOM 5090 H1 TIP3 1037 21.873 -6.310 -10.373 0.00 0.00 WAT1 ATOM 5091 H2 TIP3 1037 23.184 -5.677 -9.957 0.00 0.00 WAT1 ATOM 5092 OH2 TIP3 1038 18.853 -11.848 -14.611 0.00 0.00 WAT1 ATOM 5093 H1 TIP3 1038 18.405 -11.002 -14.629 0.00 0.00 WAT1 ATOM 5094 H2 TIP3 1038 18.292 -12.428 -15.126 0.00 0.00 WAT1 ATOM 5095 OH2 TIP3 1039 19.563 -9.686 -12.485 0.00 0.00 WAT1 ATOM 5096 H1 TIP3 1039 19.777 -10.456 -11.958 0.00 0.00 WAT1 ATOM 5097 H2 TIP3 1039 20.301 -9.597 -13.088 0.00 0.00 WAT1 ATOM 5098 OH2 TIP3 1040 23.636 -14.645 -12.126 0.00 0.00 WAT1 ATOM 5099 H1 TIP3 1040 23.679 -13.785 -12.544 0.00 0.00 WAT1 ATOM 5100 H2 TIP3 1040 23.178 -15.197 -12.759 0.00 0.00 WAT1 ATOM 5101 OH2 TIP3 1041 22.446 -15.727 -8.052 0.00 0.00 WAT1 ATOM 5102 H1 TIP3 1041 22.227 -15.197 -8.818 0.00 0.00 WAT1 ATOM 5103 H2 TIP3 1041 21.778 -15.500 -7.404 0.00 0.00 WAT1 ATOM 5104 OH2 TIP3 1042 22.040 -13.835 -10.099 0.00 0.00 WAT1 ATOM 5105 H1 TIP3 1042 22.653 -13.202 -9.726 0.00 0.00 WAT1 ATOM 5106 H2 TIP3 1042 22.552 -14.307 -10.756 0.00 0.00 WAT1 ATOM 5107 OH2 TIP3 1043 23.423 -6.087 -6.977 0.00 0.00 WAT1 ATOM 5108 H1 TIP3 1043 23.417 -5.208 -7.355 0.00 0.00 WAT1 ATOM 5109 H2 TIP3 1043 22.569 -6.170 -6.552 0.00 0.00 WAT1 ATOM 5110 OH2 TIP3 1044 24.157 -9.975 -9.631 0.00 0.00 WAT1 ATOM 5111 H1 TIP3 1044 24.722 -9.854 -10.394 0.00 0.00 WAT1 ATOM 5112 H2 TIP3 1044 24.476 -9.338 -8.992 0.00 0.00 WAT1 ATOM 5113 OH2 TIP3 1045 21.957 -9.378 -5.685 0.00 0.00 WAT1 ATOM 5114 H1 TIP3 1045 22.027 -8.727 -4.987 0.00 0.00 WAT1 ATOM 5115 H2 TIP3 1045 21.066 -9.275 -6.020 0.00 0.00 WAT1 ATOM 5116 OH2 TIP3 1046 23.276 -3.504 -4.150 0.00 0.00 WAT1 ATOM 5117 H1 TIP3 1046 23.284 -3.640 -5.098 0.00 0.00 WAT1 ATOM 5118 H2 TIP3 1046 22.360 -3.622 -3.898 0.00 0.00 WAT1 ATOM 5119 OH2 TIP3 1047 18.624 -4.531 -9.976 0.00 0.00 WAT1 ATOM 5120 H1 TIP3 1047 19.570 -4.675 -9.995 0.00 0.00 WAT1 ATOM 5121 H2 TIP3 1047 18.511 -3.747 -9.439 0.00 0.00 WAT1 ATOM 5122 OH2 TIP3 1048 21.122 -5.988 -5.817 0.00 0.00 WAT1 ATOM 5123 H1 TIP3 1048 21.339 -6.349 -4.957 0.00 0.00 WAT1 ATOM 5124 H2 TIP3 1048 20.267 -6.362 -6.027 0.00 0.00 WAT1 ATOM 5125 OH2 TIP3 1049 23.832 -12.552 -8.726 0.00 0.00 WAT1 ATOM 5126 H1 TIP3 1049 23.190 -12.593 -8.017 0.00 0.00 WAT1 ATOM 5127 H2 TIP3 1049 23.869 -11.626 -8.964 0.00 0.00 WAT1 ATOM 5128 OH2 TIP3 1050 23.829 -12.331 -13.814 0.00 0.00 WAT1 ATOM 5129 H1 TIP3 1050 22.936 -12.672 -13.873 0.00 0.00 WAT1 ATOM 5130 H2 TIP3 1050 24.280 -12.708 -14.570 0.00 0.00 WAT1 ATOM 5131 OH2 TIP3 1051 21.582 -12.232 -6.859 0.00 0.00 WAT1 ATOM 5132 H1 TIP3 1051 21.544 -11.832 -5.991 0.00 0.00 WAT1 ATOM 5133 H2 TIP3 1051 21.091 -13.049 -6.769 0.00 0.00 WAT1 ATOM 5134 OH2 TIP3 1052 18.190 -15.116 -13.009 0.00 0.00 WAT1 ATOM 5135 H1 TIP3 1052 18.821 -15.145 -12.289 0.00 0.00 WAT1 ATOM 5136 H2 TIP3 1052 18.640 -15.541 -13.739 0.00 0.00 WAT1 ATOM 5137 OH2 TIP3 1053 21.239 -13.275 -13.901 0.00 0.00 WAT1 ATOM 5138 H1 TIP3 1053 20.350 -13.175 -14.241 0.00 0.00 WAT1 ATOM 5139 H2 TIP3 1053 21.535 -14.117 -14.247 0.00 0.00 WAT1 ATOM 5140 OH2 TIP3 1054 21.701 -7.523 -3.579 0.00 0.00 WAT1 ATOM 5141 H1 TIP3 1054 22.434 -7.269 -3.018 0.00 0.00 WAT1 ATOM 5142 H2 TIP3 1054 20.921 -7.319 -3.064 0.00 0.00 WAT1 ATOM 5143 OH2 TIP3 1055 22.026 -8.220 -10.973 0.00 0.00 WAT1 ATOM 5144 H1 TIP3 1055 22.771 -8.222 -11.574 0.00 0.00 WAT1 ATOM 5145 H2 TIP3 1055 22.104 -9.044 -10.491 0.00 0.00 WAT1 ATOM 5146 OH2 TIP3 1056 20.668 -15.006 -6.100 0.00 0.00 WAT1 ATOM 5147 H1 TIP3 1056 19.775 -14.667 -6.167 0.00 0.00 WAT1 ATOM 5148 H2 TIP3 1056 20.569 -15.861 -5.682 0.00 0.00 WAT1 ATOM 5149 OH2 TIP3 1057 20.319 -3.201 -7.665 0.00 0.00 WAT1 ATOM 5150 H1 TIP3 1057 20.536 -4.133 -7.696 0.00 0.00 WAT1 ATOM 5151 H2 TIP3 1057 20.566 -2.927 -6.781 0.00 0.00 WAT1 ATOM 5152 OH2 TIP3 1058 21.311 -17.867 -10.803 0.00 0.00 WAT1 ATOM 5153 H1 TIP3 1058 21.082 -17.808 -11.730 0.00 0.00 WAT1 ATOM 5154 H2 TIP3 1058 20.868 -18.659 -10.496 0.00 0.00 WAT1 ATOM 5155 OH2 TIP3 1059 19.530 -1.314 -3.312 0.00 0.00 WAT1 ATOM 5156 H1 TIP3 1059 20.070 -1.531 -2.553 0.00 0.00 WAT1 ATOM 5157 H2 TIP3 1059 19.049 -2.120 -3.502 0.00 0.00 WAT1 ATOM 5158 OH2 TIP3 1060 24.216 -11.295 -5.564 0.00 0.00 WAT1 ATOM 5159 H1 TIP3 1060 23.598 -10.620 -5.283 0.00 0.00 WAT1 ATOM 5160 H2 TIP3 1060 24.560 -10.974 -6.397 0.00 0.00 WAT1 ATOM 5161 OH2 TIP3 1061 24.556 -13.940 -4.481 0.00 0.00 WAT1 ATOM 5162 H1 TIP3 1061 24.706 -14.669 -5.084 0.00 0.00 WAT1 ATOM 5163 H2 TIP3 1061 24.558 -13.163 -5.040 0.00 0.00 WAT1 ATOM 5164 OH2 TIP3 1062 23.034 -12.742 -2.570 0.00 0.00 WAT1 ATOM 5165 H1 TIP3 1062 22.267 -13.274 -2.780 0.00 0.00 WAT1 ATOM 5166 H2 TIP3 1062 23.713 -13.052 -3.169 0.00 0.00 WAT1 ATOM 5167 OH2 TIP3 1063 21.215 -14.821 -2.865 0.00 0.00 WAT1 ATOM 5168 H1 TIP3 1063 21.426 -15.528 -3.476 0.00 0.00 WAT1 ATOM 5169 H2 TIP3 1063 21.103 -15.259 -2.021 0.00 0.00 WAT1 ATOM 5170 OH2 TIP3 1064 18.983 -2.144 -12.291 0.00 0.00 WAT1 ATOM 5171 H1 TIP3 1064 18.649 -3.025 -12.119 0.00 0.00 WAT1 ATOM 5172 H2 TIP3 1064 19.205 -1.799 -11.427 0.00 0.00 WAT1 ATOM 5173 OH2 TIP3 1065 19.882 -15.486 -10.808 0.00 0.00 WAT1 ATOM 5174 H1 TIP3 1065 20.327 -16.278 -10.506 0.00 0.00 WAT1 ATOM 5175 H2 TIP3 1065 20.348 -14.770 -10.377 0.00 0.00 WAT1 ATOM 5176 OH2 TIP3 1066 18.499 -16.229 -15.684 0.00 0.00 WAT1 ATOM 5177 H1 TIP3 1066 17.574 -16.020 -15.814 0.00 0.00 WAT1 ATOM 5178 H2 TIP3 1066 18.953 -15.745 -16.374 0.00 0.00 WAT1 ATOM 5179 OH2 TIP3 1067 18.463 -17.491 -7.340 0.00 0.00 WAT1 ATOM 5180 H1 TIP3 1067 17.798 -17.737 -6.697 0.00 0.00 WAT1 ATOM 5181 H2 TIP3 1067 18.020 -16.869 -7.917 0.00 0.00 WAT1 ATOM 5182 OH2 TIP3 1068 20.655 -4.316 -3.196 0.00 0.00 WAT1 ATOM 5183 H1 TIP3 1068 19.834 -4.141 -3.656 0.00 0.00 WAT1 ATOM 5184 H2 TIP3 1068 20.403 -4.389 -2.275 0.00 0.00 WAT1 ATOM 5185 OH2 TIP3 1069 21.011 -0.085 -6.890 0.00 0.00 WAT1 ATOM 5186 H1 TIP3 1069 20.291 0.355 -7.341 0.00 0.00 WAT1 ATOM 5187 H2 TIP3 1069 20.645 -0.336 -6.041 0.00 0.00 WAT1 ATOM 5188 OH2 TIP3 1070 20.426 -1.462 -9.979 0.00 0.00 WAT1 ATOM 5189 H1 TIP3 1070 20.407 -1.887 -9.122 0.00 0.00 WAT1 ATOM 5190 H2 TIP3 1070 21.231 -1.780 -10.388 0.00 0.00 WAT1 ATOM 5191 OH2 TIP3 1071 20.939 -17.984 -13.509 0.00 0.00 WAT1 ATOM 5192 H1 TIP3 1071 20.162 -18.218 -14.017 0.00 0.00 WAT1 ATOM 5193 H2 TIP3 1071 21.470 -18.781 -13.501 0.00 0.00 WAT1 ATOM 5194 OH2 TIP3 1072 20.897 -17.470 -3.992 0.00 0.00 WAT1 ATOM 5195 H1 TIP3 1072 20.531 -18.235 -3.549 0.00 0.00 WAT1 ATOM 5196 H2 TIP3 1072 21.810 -17.441 -3.705 0.00 0.00 WAT1 ATOM 5197 OH2 TIP3 1073 22.870 -18.119 -2.456 0.00 0.00 WAT1 ATOM 5198 H1 TIP3 1073 23.769 -18.393 -2.641 0.00 0.00 WAT1 ATOM 5199 H2 TIP3 1073 22.484 -18.862 -1.992 0.00 0.00 WAT1 ATOM 5200 OH2 TIP3 1074 18.853 -11.848 4.245 0.00 0.00 WAT1 ATOM 5201 H1 TIP3 1074 18.405 -11.002 4.227 0.00 0.00 WAT1 ATOM 5202 H2 TIP3 1074 18.292 -12.428 3.730 0.00 0.00 WAT1 ATOM 5203 OH2 TIP3 1075 19.563 -9.686 6.371 0.00 0.00 WAT1 ATOM 5204 H1 TIP3 1075 19.777 -10.456 6.898 0.00 0.00 WAT1 ATOM 5205 H2 TIP3 1075 20.301 -9.597 5.768 0.00 0.00 WAT1 ATOM 5206 OH2 TIP3 1076 23.636 -14.645 6.730 0.00 0.00 WAT1 ATOM 5207 H1 TIP3 1076 23.679 -13.785 6.312 0.00 0.00 WAT1 ATOM 5208 H2 TIP3 1076 23.178 -15.197 6.097 0.00 0.00 WAT1 ATOM 5209 OH2 TIP3 1077 20.256 -12.248 7.492 0.00 0.00 WAT1 ATOM 5210 H1 TIP3 1077 20.910 -12.798 7.924 0.00 0.00 WAT1 ATOM 5211 H2 TIP3 1077 20.280 -12.522 6.576 0.00 0.00 WAT1 ATOM 5212 OH2 TIP3 1078 22.446 -15.727 10.804 0.00 0.00 WAT1 ATOM 5213 H1 TIP3 1078 22.227 -15.197 10.038 0.00 0.00 WAT1 ATOM 5214 H2 TIP3 1078 21.778 -15.500 11.452 0.00 0.00 WAT1 ATOM 5215 OH2 TIP3 1079 22.040 -13.835 8.757 0.00 0.00 WAT1 ATOM 5216 H1 TIP3 1079 22.653 -13.202 9.130 0.00 0.00 WAT1 ATOM 5217 H2 TIP3 1079 22.552 -14.307 8.100 0.00 0.00 WAT1 ATOM 5218 OH2 TIP3 1080 21.957 -9.378 13.171 0.00 0.00 WAT1 ATOM 5219 H1 TIP3 1080 22.027 -8.727 13.869 0.00 0.00 WAT1 ATOM 5220 H2 TIP3 1080 21.066 -9.275 12.836 0.00 0.00 WAT1 ATOM 5221 OH2 TIP3 1081 22.780 -9.674 3.181 0.00 0.00 WAT1 ATOM 5222 H1 TIP3 1081 22.488 -8.906 2.690 0.00 0.00 WAT1 ATOM 5223 H2 TIP3 1081 22.106 -10.334 3.018 0.00 0.00 WAT1 ATOM 5224 OH2 TIP3 1082 23.741 -17.518 9.035 0.00 0.00 WAT1 ATOM 5225 H1 TIP3 1082 22.880 -17.605 8.627 0.00 0.00 WAT1 ATOM 5226 H2 TIP3 1082 23.719 -16.662 9.462 0.00 0.00 WAT1 ATOM 5227 OH2 TIP3 1083 28.404 -17.796 12.409 0.00 0.00 WAT1 ATOM 5228 H1 TIP3 1083 28.824 -18.211 13.162 0.00 0.00 WAT1 ATOM 5229 H2 TIP3 1083 27.471 -17.974 12.526 0.00 0.00 WAT1 ATOM 5230 OH2 TIP3 1084 28.467 -11.740 15.347 0.00 0.00 WAT1 ATOM 5231 H1 TIP3 1084 27.904 -12.444 15.667 0.00 0.00 WAT1 ATOM 5232 H2 TIP3 1084 29.293 -11.860 15.814 0.00 0.00 WAT1 ATOM 5233 OH2 TIP3 1085 21.582 -12.232 11.997 0.00 0.00 WAT1 ATOM 5234 H1 TIP3 1085 21.544 -11.832 12.865 0.00 0.00 WAT1 ATOM 5235 H2 TIP3 1085 21.091 -13.049 12.087 0.00 0.00 WAT1 ATOM 5236 OH2 TIP3 1086 21.239 -13.275 4.955 0.00 0.00 WAT1 ATOM 5237 H1 TIP3 1086 20.350 -13.175 4.615 0.00 0.00 WAT1 ATOM 5238 H2 TIP3 1086 21.535 -14.117 4.609 0.00 0.00 WAT1 ATOM 5239 OH2 TIP3 1087 23.566 -12.080 0.178 0.00 0.00 WAT1 ATOM 5240 H1 TIP3 1087 23.024 -12.460 -0.513 0.00 0.00 WAT1 ATOM 5241 H2 TIP3 1087 24.400 -11.886 -0.251 0.00 0.00 WAT1 ATOM 5242 OH2 TIP3 1088 21.701 -7.523 15.277 0.00 0.00 WAT1 ATOM 5243 H1 TIP3 1088 22.434 -7.269 15.838 0.00 0.00 WAT1 ATOM 5244 H2 TIP3 1088 20.921 -7.319 15.792 0.00 0.00 WAT1 ATOM 5245 OH2 TIP3 1089 22.733 -15.980 4.433 0.00 0.00 WAT1 ATOM 5246 H1 TIP3 1089 22.416 -16.882 4.398 0.00 0.00 WAT1 ATOM 5247 H2 TIP3 1089 23.514 -15.978 3.881 0.00 0.00 WAT1 ATOM 5248 OH2 TIP3 1090 19.034 -9.759 13.198 0.00 0.00 WAT1 ATOM 5249 H1 TIP3 1090 19.257 -10.177 14.030 0.00 0.00 WAT1 ATOM 5250 H2 TIP3 1090 18.432 -10.372 12.776 0.00 0.00 WAT1 ATOM 5251 OH2 TIP3 1091 26.051 -10.242 15.411 0.00 0.00 WAT1 ATOM 5252 H1 TIP3 1091 25.755 -10.408 14.516 0.00 0.00 WAT1 ATOM 5253 H2 TIP3 1091 26.982 -10.462 15.401 0.00 0.00 WAT1 ATOM 5254 OH2 TIP3 1092 20.668 -15.006 12.756 0.00 0.00 WAT1 ATOM 5255 H1 TIP3 1092 19.775 -14.667 12.689 0.00 0.00 WAT1 ATOM 5256 H2 TIP3 1092 20.569 -15.861 13.174 0.00 0.00 WAT1 ATOM 5257 OH2 TIP3 1093 21.571 -7.927 1.367 0.00 0.00 WAT1 ATOM 5258 H1 TIP3 1093 20.885 -7.575 1.934 0.00 0.00 WAT1 ATOM 5259 H2 TIP3 1093 22.094 -7.164 1.121 0.00 0.00 WAT1 ATOM 5260 OH2 TIP3 1094 23.928 -15.741 1.204 0.00 0.00 WAT1 ATOM 5261 H1 TIP3 1094 23.845 -14.852 1.550 0.00 0.00 WAT1 ATOM 5262 H2 TIP3 1094 24.818 -16.006 1.435 0.00 0.00 WAT1 ATOM 5263 OH2 TIP3 1095 22.187 -5.313 0.264 0.00 0.00 WAT1 ATOM 5264 H1 TIP3 1095 22.779 -4.614 0.540 0.00 0.00 WAT1 ATOM 5265 H2 TIP3 1095 22.646 -5.746 -0.455 0.00 0.00 WAT1 ATOM 5266 OH2 TIP3 1096 20.503 -12.649 -0.620 0.00 0.00 WAT1 ATOM 5267 H1 TIP3 1096 20.458 -11.710 -0.441 0.00 0.00 WAT1 ATOM 5268 H2 TIP3 1096 19.615 -12.885 -0.890 0.00 0.00 WAT1 ATOM 5269 OH2 TIP3 1097 21.311 -17.867 8.053 0.00 0.00 WAT1 ATOM 5270 H1 TIP3 1097 21.082 -17.808 7.126 0.00 0.00 WAT1 ATOM 5271 H2 TIP3 1097 20.868 -18.659 8.360 0.00 0.00 WAT1 ATOM 5272 OH2 TIP3 1098 20.241 -3.927 4.214 0.00 0.00 WAT1 ATOM 5273 H1 TIP3 1098 19.409 -3.454 4.241 0.00 0.00 WAT1 ATOM 5274 H2 TIP3 1098 20.787 -3.417 3.615 0.00 0.00 WAT1 ATOM 5275 OH2 TIP3 1099 19.437 -7.504 16.498 0.00 0.00 WAT1 ATOM 5276 H1 TIP3 1099 19.581 -8.406 16.212 0.00 0.00 WAT1 ATOM 5277 H2 TIP3 1099 18.664 -7.218 16.010 0.00 0.00 WAT1 ATOM 5278 OH2 TIP3 1100 23.778 -7.160 -1.370 0.00 0.00 WAT1 ATOM 5279 H1 TIP3 1100 23.842 -7.954 -0.839 0.00 0.00 WAT1 ATOM 5280 H2 TIP3 1100 24.431 -7.279 -2.059 0.00 0.00 WAT1 ATOM 5281 OH2 TIP3 1101 20.269 -10.304 15.918 0.00 0.00 WAT1 ATOM 5282 H1 TIP3 1101 20.677 -11.161 15.797 0.00 0.00 WAT1 ATOM 5283 H2 TIP3 1101 20.009 -10.289 16.839 0.00 0.00 WAT1 ATOM 5284 OH2 TIP3 1102 24.216 -11.295 13.292 0.00 0.00 WAT1 ATOM 5285 H1 TIP3 1102 23.598 -10.620 13.573 0.00 0.00 WAT1 ATOM 5286 H2 TIP3 1102 24.560 -10.974 12.459 0.00 0.00 WAT1 ATOM 5287 OH2 TIP3 1103 24.556 -13.940 14.375 0.00 0.00 WAT1 ATOM 5288 H1 TIP3 1103 24.706 -14.669 13.772 0.00 0.00 WAT1 ATOM 5289 H2 TIP3 1103 24.558 -13.163 13.816 0.00 0.00 WAT1 ATOM 5290 OH2 TIP3 1104 24.968 -15.570 11.867 0.00 0.00 WAT1 ATOM 5291 H1 TIP3 1104 25.504 -15.119 11.215 0.00 0.00 WAT1 ATOM 5292 H2 TIP3 1104 24.116 -15.678 11.445 0.00 0.00 WAT1 ATOM 5293 OH2 TIP3 1105 23.034 -12.742 16.286 0.00 0.00 WAT1 ATOM 5294 H1 TIP3 1105 22.267 -13.274 16.076 0.00 0.00 WAT1 ATOM 5295 H2 TIP3 1105 23.713 -13.052 15.687 0.00 0.00 WAT1 ATOM 5296 OH2 TIP3 1106 25.774 -18.114 12.299 0.00 0.00 WAT1 ATOM 5297 H1 TIP3 1106 25.676 -17.167 12.193 0.00 0.00 WAT1 ATOM 5298 H2 TIP3 1106 25.031 -18.486 11.823 0.00 0.00 WAT1 ATOM 5299 OH2 TIP3 1107 27.038 -13.792 15.862 0.00 0.00 WAT1 ATOM 5300 H1 TIP3 1107 26.802 -14.012 16.764 0.00 0.00 WAT1 ATOM 5301 H2 TIP3 1107 26.255 -13.999 15.353 0.00 0.00 WAT1 ATOM 5302 OH2 TIP3 1108 29.754 -14.665 14.938 0.00 0.00 WAT1 ATOM 5303 H1 TIP3 1108 28.806 -14.633 15.070 0.00 0.00 WAT1 ATOM 5304 H2 TIP3 1108 30.066 -15.290 15.592 0.00 0.00 WAT1 ATOM 5305 OH2 TIP3 1109 31.388 -16.031 16.943 0.00 0.00 WAT1 ATOM 5306 H1 TIP3 1109 31.291 -16.983 16.937 0.00 0.00 WAT1 ATOM 5307 H2 TIP3 1109 31.066 -15.762 17.804 0.00 0.00 WAT1 ATOM 5308 OH2 TIP3 1110 21.215 -14.821 15.991 0.00 0.00 WAT1 ATOM 5309 H1 TIP3 1110 21.426 -15.528 15.380 0.00 0.00 WAT1 ATOM 5310 H2 TIP3 1110 21.103 -15.259 16.835 0.00 0.00 WAT1 ATOM 5311 OH2 TIP3 1111 25.996 -18.820 14.970 0.00 0.00 WAT1 ATOM 5312 H1 TIP3 1111 26.708 -19.460 14.956 0.00 0.00 WAT1 ATOM 5313 H2 TIP3 1111 25.895 -18.553 14.056 0.00 0.00 WAT1 ATOM 5314 OH2 TIP3 1112 19.882 -15.486 8.048 0.00 0.00 WAT1 ATOM 5315 H1 TIP3 1112 20.327 -16.278 8.350 0.00 0.00 WAT1 ATOM 5316 H2 TIP3 1112 20.348 -14.770 8.479 0.00 0.00 WAT1 ATOM 5317 OH2 TIP3 1113 18.186 -12.487 9.117 0.00 0.00 WAT1 ATOM 5318 H1 TIP3 1113 18.678 -12.708 8.327 0.00 0.00 WAT1 ATOM 5319 H2 TIP3 1113 18.548 -11.646 9.398 0.00 0.00 WAT1 ATOM 5320 OH2 TIP3 1114 20.939 -17.984 5.347 0.00 0.00 WAT1 ATOM 5321 H1 TIP3 1114 20.162 -18.218 4.839 0.00 0.00 WAT1 ATOM 5322 H2 TIP3 1114 21.470 -18.781 5.355 0.00 0.00 WAT1 ATOM 5323 OH2 TIP3 1115 19.776 -18.186 1.150 0.00 0.00 WAT1 ATOM 5324 H1 TIP3 1115 20.215 -17.575 0.559 0.00 0.00 WAT1 ATOM 5325 H2 TIP3 1115 19.142 -17.648 1.624 0.00 0.00 WAT1 ATOM 5326 OH2 TIP3 1116 19.677 -2.238 2.048 0.00 0.00 WAT1 ATOM 5327 H1 TIP3 1116 18.992 -2.276 1.380 0.00 0.00 WAT1 ATOM 5328 H2 TIP3 1116 19.680 -1.325 2.336 0.00 0.00 WAT1 ATOM 5329 OH2 TIP3 1117 21.637 -16.270 -0.407 0.00 0.00 WAT1 ATOM 5330 H1 TIP3 1117 22.128 -16.900 -0.935 0.00 0.00 WAT1 ATOM 5331 H2 TIP3 1117 22.260 -15.974 0.256 0.00 0.00 WAT1 ATOM 5332 OH2 TIP3 1118 20.897 -17.470 14.864 0.00 0.00 WAT1 ATOM 5333 H1 TIP3 1118 20.531 -18.235 15.307 0.00 0.00 WAT1 ATOM 5334 H2 TIP3 1118 21.810 -17.441 15.151 0.00 0.00 WAT1 ATOM 5335 OH2 TIP3 1119 21.495 -1.318 -0.927 0.00 0.00 WAT1 ATOM 5336 H1 TIP3 1119 21.227 -1.031 -0.054 0.00 0.00 WAT1 ATOM 5337 H2 TIP3 1119 22.266 -1.864 -0.775 0.00 0.00 WAT1 ATOM 5338 OH2 TIP3 1120 31.292 -18.787 16.582 0.00 0.00 WAT1 ATOM 5339 H1 TIP3 1120 31.368 -19.213 17.436 0.00 0.00 WAT1 ATOM 5340 H2 TIP3 1120 32.185 -18.773 16.240 0.00 0.00 WAT1 ATOM 5341 OH2 TIP3 1121 30.018 -8.828 24.161 0.00 0.00 WAT1 ATOM 5342 H1 TIP3 1121 30.107 -7.884 24.029 0.00 0.00 WAT1 ATOM 5343 H2 TIP3 1121 29.379 -9.103 23.503 0.00 0.00 WAT1 ATOM 5344 OH2 TIP3 1122 28.951 -9.573 27.580 0.00 0.00 WAT1 ATOM 5345 H1 TIP3 1122 28.913 -10.219 28.285 0.00 0.00 WAT1 ATOM 5346 H2 TIP3 1122 28.628 -10.039 26.809 0.00 0.00 WAT1 ATOM 5347 OH2 TIP3 1123 30.481 -12.746 28.314 0.00 0.00 WAT1 ATOM 5348 H1 TIP3 1123 30.624 -13.693 28.334 0.00 0.00 WAT1 ATOM 5349 H2 TIP3 1123 30.375 -12.539 27.385 0.00 0.00 WAT1 ATOM 5350 OH2 TIP3 1124 31.358 -14.514 23.987 0.00 0.00 WAT1 ATOM 5351 H1 TIP3 1124 32.004 -14.843 24.612 0.00 0.00 WAT1 ATOM 5352 H2 TIP3 1124 31.868 -13.996 23.364 0.00 0.00 WAT1 ATOM 5353 OH2 TIP3 1125 29.815 -6.227 23.204 0.00 0.00 WAT1 ATOM 5354 H1 TIP3 1125 29.519 -6.549 22.353 0.00 0.00 WAT1 ATOM 5355 H2 TIP3 1125 29.491 -5.327 23.246 0.00 0.00 WAT1 ATOM 5356 OH2 TIP3 1126 19.544 -6.416 21.517 0.00 0.00 WAT1 ATOM 5357 H1 TIP3 1126 19.272 -6.187 20.628 0.00 0.00 WAT1 ATOM 5358 H2 TIP3 1126 19.589 -5.578 21.977 0.00 0.00 WAT1 ATOM 5359 OH2 TIP3 1127 26.472 -18.421 27.113 0.00 0.00 WAT1 ATOM 5360 H1 TIP3 1127 26.355 -19.370 27.059 0.00 0.00 WAT1 ATOM 5361 H2 TIP3 1127 25.617 -18.089 27.386 0.00 0.00 WAT1 ATOM 5362 OH2 TIP3 1128 28.739 -9.584 21.613 0.00 0.00 WAT1 ATOM 5363 H1 TIP3 1128 28.027 -9.049 21.262 0.00 0.00 WAT1 ATOM 5364 H2 TIP3 1128 29.430 -9.528 20.953 0.00 0.00 WAT1 ATOM 5365 OH2 TIP3 1129 28.793 -11.126 18.652 0.00 0.00 WAT1 ATOM 5366 H1 TIP3 1129 29.494 -11.104 19.303 0.00 0.00 WAT1 ATOM 5367 H2 TIP3 1129 29.095 -11.754 17.996 0.00 0.00 WAT1 ATOM 5368 OH2 TIP3 1130 32.042 -11.200 31.633 0.00 0.00 WAT1 ATOM 5369 H1 TIP3 1130 32.122 -10.437 32.205 0.00 0.00 WAT1 ATOM 5370 H2 TIP3 1130 31.441 -10.921 30.942 0.00 0.00 WAT1 ATOM 5371 OH2 TIP3 1131 30.466 -4.472 28.815 0.00 0.00 WAT1 ATOM 5372 H1 TIP3 1131 30.225 -3.810 29.463 0.00 0.00 WAT1 ATOM 5373 H2 TIP3 1131 30.268 -5.306 29.240 0.00 0.00 WAT1 ATOM 5374 OH2 TIP3 1132 25.037 -5.576 32.798 0.00 0.00 WAT1 ATOM 5375 H1 TIP3 1132 24.725 -4.794 33.254 0.00 0.00 WAT1 ATOM 5376 H2 TIP3 1132 24.387 -5.729 32.112 0.00 0.00 WAT1 ATOM 5377 OH2 TIP3 1133 23.276 -3.504 33.562 0.00 0.00 WAT1 ATOM 5378 H1 TIP3 1133 23.284 -3.640 32.614 0.00 0.00 WAT1 ATOM 5379 H2 TIP3 1133 22.360 -3.622 33.814 0.00 0.00 WAT1 ATOM 5380 OH2 TIP3 1134 18.873 -7.311 30.852 0.00 0.00 WAT1 ATOM 5381 H1 TIP3 1134 18.372 -7.339 30.037 0.00 0.00 WAT1 ATOM 5382 H2 TIP3 1134 18.879 -8.217 31.162 0.00 0.00 WAT1 ATOM 5383 OH2 TIP3 1135 18.624 -4.531 27.736 0.00 0.00 WAT1 ATOM 5384 H1 TIP3 1135 19.570 -4.675 27.717 0.00 0.00 WAT1 ATOM 5385 H2 TIP3 1135 18.511 -3.747 28.273 0.00 0.00 WAT1 ATOM 5386 OH2 TIP3 1136 27.800 -4.291 32.294 0.00 0.00 WAT1 ATOM 5387 H1 TIP3 1136 27.887 -3.465 32.769 0.00 0.00 WAT1 ATOM 5388 H2 TIP3 1136 26.936 -4.621 32.543 0.00 0.00 WAT1 ATOM 5389 OH2 TIP3 1137 21.122 -5.988 31.895 0.00 0.00 WAT1 ATOM 5390 H1 TIP3 1137 21.339 -6.349 32.755 0.00 0.00 WAT1 ATOM 5391 H2 TIP3 1137 20.267 -6.362 31.685 0.00 0.00 WAT1 ATOM 5392 OH2 TIP3 1138 23.741 -17.518 27.891 0.00 0.00 WAT1 ATOM 5393 H1 TIP3 1138 22.880 -17.605 27.483 0.00 0.00 WAT1 ATOM 5394 H2 TIP3 1138 23.719 -16.662 28.318 0.00 0.00 WAT1 ATOM 5395 OH2 TIP3 1139 28.404 -17.796 31.265 0.00 0.00 WAT1 ATOM 5396 H1 TIP3 1139 28.824 -18.211 32.018 0.00 0.00 WAT1 ATOM 5397 H2 TIP3 1139 27.471 -17.974 31.382 0.00 0.00 WAT1 ATOM 5398 OH2 TIP3 1140 29.365 -11.915 22.715 0.00 0.00 WAT1 ATOM 5399 H1 TIP3 1140 28.956 -11.100 22.423 0.00 0.00 WAT1 ATOM 5400 H2 TIP3 1140 30.085 -12.055 22.100 0.00 0.00 WAT1 ATOM 5401 OH2 TIP3 1141 28.467 -11.740 34.203 0.00 0.00 WAT1 ATOM 5402 H1 TIP3 1141 27.904 -12.444 34.523 0.00 0.00 WAT1 ATOM 5403 H2 TIP3 1141 29.293 -11.860 34.670 0.00 0.00 WAT1 ATOM 5404 OH2 TIP3 1142 30.369 -12.469 25.529 0.00 0.00 WAT1 ATOM 5405 H1 TIP3 1142 30.174 -11.864 24.814 0.00 0.00 WAT1 ATOM 5406 H2 TIP3 1142 30.551 -13.303 25.094 0.00 0.00 WAT1 ATOM 5407 OH2 TIP3 1143 29.633 -10.831 30.200 0.00 0.00 WAT1 ATOM 5408 H1 TIP3 1143 29.957 -11.462 29.557 0.00 0.00 WAT1 ATOM 5409 H2 TIP3 1143 29.193 -11.366 30.861 0.00 0.00 WAT1 ATOM 5410 OH2 TIP3 1144 26.411 -14.904 24.984 0.00 0.00 WAT1 ATOM 5411 H1 TIP3 1144 25.500 -14.847 25.273 0.00 0.00 WAT1 ATOM 5412 H2 TIP3 1144 26.916 -14.964 25.795 0.00 0.00 WAT1 ATOM 5413 OH2 TIP3 1145 21.701 -7.523 34.133 0.00 0.00 WAT1 ATOM 5414 H1 TIP3 1145 22.434 -7.269 34.694 0.00 0.00 WAT1 ATOM 5415 H2 TIP3 1145 20.921 -7.319 34.648 0.00 0.00 WAT1 ATOM 5416 OH2 TIP3 1146 27.731 -12.116 26.871 0.00 0.00 WAT1 ATOM 5417 H1 TIP3 1146 28.295 -12.663 26.324 0.00 0.00 WAT1 ATOM 5418 H2 TIP3 1146 27.583 -12.638 27.660 0.00 0.00 WAT1 ATOM 5419 OH2 TIP3 1147 26.357 -13.728 29.285 0.00 0.00 WAT1 ATOM 5420 H1 TIP3 1147 25.522 -13.274 29.395 0.00 0.00 WAT1 ATOM 5421 H2 TIP3 1147 26.881 -13.452 30.037 0.00 0.00 WAT1 ATOM 5422 OH2 TIP3 1148 26.901 -7.515 20.970 0.00 0.00 WAT1 ATOM 5423 H1 TIP3 1148 26.157 -8.022 20.647 0.00 0.00 WAT1 ATOM 5424 H2 TIP3 1148 26.767 -7.466 21.916 0.00 0.00 WAT1 ATOM 5425 OH2 TIP3 1149 30.799 -14.701 19.169 0.00 0.00 WAT1 ATOM 5426 H1 TIP3 1149 29.861 -14.589 19.018 0.00 0.00 WAT1 ATOM 5427 H2 TIP3 1149 31.096 -13.844 19.475 0.00 0.00 WAT1 ATOM 5428 OH2 TIP3 1150 28.421 -7.331 32.207 0.00 0.00 WAT1 ATOM 5429 H1 TIP3 1150 28.075 -7.712 33.013 0.00 0.00 WAT1 ATOM 5430 H2 TIP3 1150 28.221 -6.397 32.278 0.00 0.00 WAT1 ATOM 5431 OH2 TIP3 1151 31.517 -12.834 20.830 0.00 0.00 WAT1 ATOM 5432 H1 TIP3 1151 32.409 -12.971 21.149 0.00 0.00 WAT1 ATOM 5433 H2 TIP3 1151 31.574 -12.043 20.293 0.00 0.00 WAT1 ATOM 5434 OH2 TIP3 1152 19.034 -9.759 32.054 0.00 0.00 WAT1 ATOM 5435 H1 TIP3 1152 19.257 -10.177 32.886 0.00 0.00 WAT1 ATOM 5436 H2 TIP3 1152 18.432 -10.372 31.632 0.00 0.00 WAT1 ATOM 5437 OH2 TIP3 1153 26.051 -10.242 34.267 0.00 0.00 WAT1 ATOM 5438 H1 TIP3 1153 25.755 -10.408 33.372 0.00 0.00 WAT1 ATOM 5439 H2 TIP3 1153 26.982 -10.462 34.257 0.00 0.00 WAT1 ATOM 5440 OH2 TIP3 1154 30.671 -4.869 32.157 0.00 0.00 WAT1 ATOM 5441 H1 TIP3 1154 29.770 -4.686 31.889 0.00 0.00 WAT1 ATOM 5442 H2 TIP3 1154 30.705 -4.610 33.078 0.00 0.00 WAT1 ATOM 5443 OH2 TIP3 1155 31.858 -9.030 28.011 0.00 0.00 WAT1 ATOM 5444 H1 TIP3 1155 30.930 -9.262 27.984 0.00 0.00 WAT1 ATOM 5445 H2 TIP3 1155 32.309 -9.807 27.681 0.00 0.00 WAT1 ATOM 5446 OH2 TIP3 1156 24.401 -4.702 24.144 0.00 0.00 WAT1 ATOM 5447 H1 TIP3 1156 24.928 -3.929 23.943 0.00 0.00 WAT1 ATOM 5448 H2 TIP3 1156 23.521 -4.477 23.842 0.00 0.00 WAT1 ATOM 5449 OH2 TIP3 1157 25.828 -7.039 23.720 0.00 0.00 WAT1 ATOM 5450 H1 TIP3 1157 25.587 -6.114 23.762 0.00 0.00 WAT1 ATOM 5451 H2 TIP3 1157 25.088 -7.498 24.116 0.00 0.00 WAT1 ATOM 5452 OH2 TIP3 1158 26.343 -2.890 30.035 0.00 0.00 WAT1 ATOM 5453 H1 TIP3 1158 26.706 -2.035 29.802 0.00 0.00 WAT1 ATOM 5454 H2 TIP3 1158 26.875 -3.182 30.776 0.00 0.00 WAT1 ATOM 5455 OH2 TIP3 1159 29.887 -6.791 29.736 0.00 0.00 WAT1 ATOM 5456 H1 TIP3 1159 29.461 -7.018 30.562 0.00 0.00 WAT1 ATOM 5457 H2 TIP3 1159 30.468 -7.529 29.553 0.00 0.00 WAT1 ATOM 5458 OH2 TIP3 1160 20.319 -3.201 30.047 0.00 0.00 WAT1 ATOM 5459 H1 TIP3 1160 20.536 -4.133 30.016 0.00 0.00 WAT1 ATOM 5460 H2 TIP3 1160 20.566 -2.927 30.931 0.00 0.00 WAT1 ATOM 5461 OH2 TIP3 1161 25.118 -5.180 19.713 0.00 0.00 WAT1 ATOM 5462 H1 TIP3 1161 25.265 -5.700 20.503 0.00 0.00 WAT1 ATOM 5463 H2 TIP3 1161 25.115 -4.273 20.019 0.00 0.00 WAT1 ATOM 5464 OH2 TIP3 1162 29.403 -15.265 30.502 0.00 0.00 WAT1 ATOM 5465 H1 TIP3 1162 30.101 -15.191 31.152 0.00 0.00 WAT1 ATOM 5466 H2 TIP3 1162 29.022 -16.129 30.657 0.00 0.00 WAT1 ATOM 5467 OH2 TIP3 1163 30.187 -15.613 21.599 0.00 0.00 WAT1 ATOM 5468 H1 TIP3 1163 30.407 -15.141 20.796 0.00 0.00 WAT1 ATOM 5469 H2 TIP3 1163 30.745 -15.218 22.270 0.00 0.00 WAT1 ATOM 5470 OH2 TIP3 1164 27.387 -13.885 22.434 0.00 0.00 WAT1 ATOM 5471 H1 TIP3 1164 28.199 -13.381 22.480 0.00 0.00 WAT1 ATOM 5472 H2 TIP3 1164 27.142 -14.030 23.348 0.00 0.00 WAT1 ATOM 5473 OH2 TIP3 1165 27.923 -12.899 31.619 0.00 0.00 WAT1 ATOM 5474 H1 TIP3 1165 28.042 -12.325 32.376 0.00 0.00 WAT1 ATOM 5475 H2 TIP3 1165 28.578 -13.587 31.734 0.00 0.00 WAT1 ATOM 5476 OH2 TIP3 1166 22.187 -5.313 19.120 0.00 0.00 WAT1 ATOM 5477 H1 TIP3 1166 22.779 -4.614 19.396 0.00 0.00 WAT1 ATOM 5478 H2 TIP3 1166 22.646 -5.746 18.401 0.00 0.00 WAT1 ATOM 5479 OH2 TIP3 1167 20.241 -3.927 23.070 0.00 0.00 WAT1 ATOM 5480 H1 TIP3 1167 19.409 -3.454 23.097 0.00 0.00 WAT1 ATOM 5481 H2 TIP3 1167 20.787 -3.417 22.471 0.00 0.00 WAT1 ATOM 5482 OH2 TIP3 1168 19.437 -7.504 35.354 0.00 0.00 WAT1 ATOM 5483 H1 TIP3 1168 19.581 -8.406 35.068 0.00 0.00 WAT1 ATOM 5484 H2 TIP3 1168 18.664 -7.218 34.866 0.00 0.00 WAT1 ATOM 5485 OH2 TIP3 1169 23.778 -7.160 17.486 0.00 0.00 WAT1 ATOM 5486 H1 TIP3 1169 23.842 -7.954 18.017 0.00 0.00 WAT1 ATOM 5487 H2 TIP3 1169 24.431 -7.279 16.797 0.00 0.00 WAT1 ATOM 5488 OH2 TIP3 1170 26.092 -7.534 34.787 0.00 0.00 WAT1 ATOM 5489 H1 TIP3 1170 25.764 -7.263 33.929 0.00 0.00 WAT1 ATOM 5490 H2 TIP3 1170 26.244 -8.475 34.699 0.00 0.00 WAT1 ATOM 5491 OH2 TIP3 1171 31.827 -7.618 32.170 0.00 0.00 WAT1 ATOM 5492 H1 TIP3 1171 32.572 -7.030 32.050 0.00 0.00 WAT1 ATOM 5493 H2 TIP3 1171 31.070 -7.036 32.233 0.00 0.00 WAT1 ATOM 5494 OH2 TIP3 1172 20.269 -10.304 34.774 0.00 0.00 WAT1 ATOM 5495 H1 TIP3 1172 20.677 -11.161 34.653 0.00 0.00 WAT1 ATOM 5496 H2 TIP3 1172 20.009 -10.289 35.695 0.00 0.00 WAT1 ATOM 5497 OH2 TIP3 1173 24.927 -9.188 19.792 0.00 0.00 WAT1 ATOM 5498 H1 TIP3 1173 24.468 -9.672 20.478 0.00 0.00 WAT1 ATOM 5499 H2 TIP3 1173 25.182 -9.856 19.156 0.00 0.00 WAT1 ATOM 5500 OH2 TIP3 1174 25.998 -10.945 18.055 0.00 0.00 WAT1 ATOM 5501 H1 TIP3 1174 25.818 -11.099 17.127 0.00 0.00 WAT1 ATOM 5502 H2 TIP3 1174 26.949 -10.837 18.099 0.00 0.00 WAT1 ATOM 5503 OH2 TIP3 1175 29.236 -8.824 35.426 0.00 0.00 WAT1 ATOM 5504 H1 TIP3 1175 30.189 -8.740 35.398 0.00 0.00 WAT1 ATOM 5505 H2 TIP3 1175 29.076 -9.535 36.045 0.00 0.00 WAT1 ATOM 5506 OH2 TIP3 1176 25.774 -18.114 31.155 0.00 0.00 WAT1 ATOM 5507 H1 TIP3 1176 25.676 -17.167 31.049 0.00 0.00 WAT1 ATOM 5508 H2 TIP3 1176 25.031 -18.486 30.679 0.00 0.00 WAT1 ATOM 5509 OH2 TIP3 1177 27.038 -13.792 34.718 0.00 0.00 WAT1 ATOM 5510 H1 TIP3 1177 26.802 -14.012 35.620 0.00 0.00 WAT1 ATOM 5511 H2 TIP3 1177 26.255 -13.999 34.209 0.00 0.00 WAT1 ATOM 5512 OH2 TIP3 1178 29.754 -14.665 33.794 0.00 0.00 WAT1 ATOM 5513 H1 TIP3 1178 28.806 -14.633 33.926 0.00 0.00 WAT1 ATOM 5514 H2 TIP3 1178 30.066 -15.290 34.448 0.00 0.00 WAT1 ATOM 5515 OH2 TIP3 1179 25.996 -18.820 33.826 0.00 0.00 WAT1 ATOM 5516 H1 TIP3 1179 26.708 -19.460 33.812 0.00 0.00 WAT1 ATOM 5517 H2 TIP3 1179 25.895 -18.553 32.912 0.00 0.00 WAT1 ATOM 5518 OH2 TIP3 1180 26.349 -17.137 35.880 0.00 0.00 WAT1 ATOM 5519 H1 TIP3 1180 26.218 -17.613 35.059 0.00 0.00 WAT1 ATOM 5520 H2 TIP3 1180 25.750 -16.393 35.824 0.00 0.00 WAT1 ATOM 5521 OH2 TIP3 1181 19.464 -5.618 18.539 0.00 0.00 WAT1 ATOM 5522 H1 TIP3 1181 20.378 -5.539 18.812 0.00 0.00 WAT1 ATOM 5523 H2 TIP3 1181 19.471 -6.305 17.872 0.00 0.00 WAT1 ATOM 5524 OH2 TIP3 1182 23.609 -3.341 30.775 0.00 0.00 WAT1 ATOM 5525 H1 TIP3 1182 23.184 -2.532 30.492 0.00 0.00 WAT1 ATOM 5526 H2 TIP3 1182 24.514 -3.256 30.473 0.00 0.00 WAT1 ATOM 5527 OH2 TIP3 1183 22.567 -2.752 26.388 0.00 0.00 WAT1 ATOM 5528 H1 TIP3 1183 22.348 -3.668 26.557 0.00 0.00 WAT1 ATOM 5529 H2 TIP3 1183 23.391 -2.612 26.854 0.00 0.00 WAT1 ATOM 5530 OH2 TIP3 1184 25.104 -2.282 27.236 0.00 0.00 WAT1 ATOM 5531 H1 TIP3 1184 25.317 -3.170 26.949 0.00 0.00 WAT1 ATOM 5532 H2 TIP3 1184 25.169 -2.316 28.191 0.00 0.00 WAT1 ATOM 5533 OH2 TIP3 1185 28.613 -16.618 26.381 0.00 0.00 WAT1 ATOM 5534 H1 TIP3 1185 27.938 -17.247 26.636 0.00 0.00 WAT1 ATOM 5535 H2 TIP3 1185 29.177 -17.102 25.778 0.00 0.00 WAT1 ATOM 5536 OH2 TIP3 1186 31.076 -18.027 25.665 0.00 0.00 WAT1 ATOM 5537 H1 TIP3 1186 31.152 -17.932 24.716 0.00 0.00 WAT1 ATOM 5538 H2 TIP3 1186 30.800 -18.935 25.794 0.00 0.00 WAT1 ATOM 5539 OH2 TIP3 1187 32.429 -18.001 21.358 0.00 0.00 WAT1 ATOM 5540 H1 TIP3 1187 31.726 -17.387 21.148 0.00 0.00 WAT1 ATOM 5541 H2 TIP3 1187 31.984 -18.839 21.489 0.00 0.00 WAT1 ATOM 5542 OH2 TIP3 1188 28.793 -11.126 37.508 0.00 0.00 WAT1 ATOM 5543 H1 TIP3 1188 29.494 -11.104 38.159 0.00 0.00 WAT1 ATOM 5544 H2 TIP3 1188 29.095 -11.754 36.852 0.00 0.00 WAT1 ATOM 5545 OH2 TIP3 1189 28.066 -15.303 37.406 0.00 0.00 WAT1 ATOM 5546 H1 TIP3 1189 27.812 -15.284 38.329 0.00 0.00 WAT1 ATOM 5547 H2 TIP3 1189 27.809 -16.175 37.105 0.00 0.00 WAT1 ATOM 5548 OH2 TIP3 1190 19.465 -14.370 38.983 0.00 0.00 WAT1 ATOM 5549 H1 TIP3 1190 19.939 -13.779 38.398 0.00 0.00 WAT1 ATOM 5550 H2 TIP3 1190 18.747 -13.839 39.330 0.00 0.00 WAT1 ATOM 5551 OH2 TIP3 1191 24.892 -13.275 40.323 0.00 0.00 WAT1 ATOM 5552 H1 TIP3 1191 25.824 -13.146 40.501 0.00 0.00 WAT1 ATOM 5553 H2 TIP3 1191 24.677 -12.605 39.674 0.00 0.00 WAT1 ATOM 5554 OH2 TIP3 1192 23.566 -12.080 37.890 0.00 0.00 WAT1 ATOM 5555 H1 TIP3 1192 23.024 -12.460 37.199 0.00 0.00 WAT1 ATOM 5556 H2 TIP3 1192 24.400 -11.886 37.461 0.00 0.00 WAT1 ATOM 5557 OH2 TIP3 1193 20.156 -9.840 37.587 0.00 0.00 WAT1 ATOM 5558 H1 TIP3 1193 20.772 -9.213 37.966 0.00 0.00 WAT1 ATOM 5559 H2 TIP3 1193 19.294 -9.524 37.858 0.00 0.00 WAT1 ATOM 5560 OH2 TIP3 1194 23.928 -15.741 38.916 0.00 0.00 WAT1 ATOM 5561 H1 TIP3 1194 23.845 -14.852 39.262 0.00 0.00 WAT1 ATOM 5562 H2 TIP3 1194 24.818 -16.006 39.147 0.00 0.00 WAT1 ATOM 5563 OH2 TIP3 1195 20.503 -12.649 37.092 0.00 0.00 WAT1 ATOM 5564 H1 TIP3 1195 20.458 -11.710 37.271 0.00 0.00 WAT1 ATOM 5565 H2 TIP3 1195 19.615 -12.885 36.822 0.00 0.00 WAT1 ATOM 5566 OH2 TIP3 1196 23.778 -7.160 36.342 0.00 0.00 WAT1 ATOM 5567 H1 TIP3 1196 23.842 -7.954 36.873 0.00 0.00 WAT1 ATOM 5568 H2 TIP3 1196 24.431 -7.279 35.653 0.00 0.00 WAT1 ATOM 5569 OH2 TIP3 1197 25.998 -10.945 36.911 0.00 0.00 WAT1 ATOM 5570 H1 TIP3 1197 25.818 -11.099 35.983 0.00 0.00 WAT1 ATOM 5571 H2 TIP3 1197 26.949 -10.837 36.955 0.00 0.00 WAT1 ATOM 5572 OH2 TIP3 1198 18.499 -16.229 40.884 0.00 0.00 WAT1 ATOM 5573 H1 TIP3 1198 17.574 -16.020 40.754 0.00 0.00 WAT1 ATOM 5574 H2 TIP3 1198 18.953 -15.745 40.194 0.00 0.00 WAT1 ATOM 5575 OH2 TIP3 1199 19.776 -18.186 38.862 0.00 0.00 WAT1 ATOM 5576 H1 TIP3 1199 20.215 -17.575 38.271 0.00 0.00 WAT1 ATOM 5577 H2 TIP3 1199 19.142 -17.648 39.336 0.00 0.00 WAT1 ATOM 5578 OH2 TIP3 1200 26.663 -15.977 39.762 0.00 0.00 WAT1 ATOM 5579 H1 TIP3 1200 26.841 -16.623 40.445 0.00 0.00 WAT1 ATOM 5580 H2 TIP3 1200 26.609 -15.143 40.229 0.00 0.00 WAT1 ATOM 5581 OH2 TIP3 1201 18.463 1.365 -7.340 0.00 0.00 WAT1 ATOM 5582 H1 TIP3 1201 17.798 1.119 -6.697 0.00 0.00 WAT1 ATOM 5583 H2 TIP3 1201 18.020 1.987 -7.917 0.00 0.00 WAT1 ATOM 5584 OH2 TIP3 1202 20.897 1.386 -3.992 0.00 0.00 WAT1 ATOM 5585 H1 TIP3 1202 20.531 0.621 -3.549 0.00 0.00 WAT1 ATOM 5586 H2 TIP3 1202 21.810 1.415 -3.705 0.00 0.00 WAT1 END