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 14:06:15 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 21.531 -2.924 10.329 1.00 11.32 ATOM 2 CB MET 1 19.861 -1.588 10.291 1.00 2.42 ATOM 3 HB1 MET 1 20.278 -1.033 11.121 1.00 37.22 ATOM 4 HB2 MET 1 19.148 -2.303 10.676 1.00 5.34 ATOM 5 CG MET 1 19.126 -0.616 9.382 1.00 33.21 ATOM 6 HG1 MET 1 18.508 -1.179 8.699 1.00 37.22 ATOM 7 HG2 MET 1 19.838 -0.032 8.821 1.00 64.24 ATOM 8 SD MET 1 18.079 0.533 10.296 1.00 43.33 ATOM 9 CE MET 1 16.618 -0.470 10.554 1.00 64.44 ATOM 10 HE1 MET 1 15.883 0.099 11.103 1.00 54.41 ATOM 11 HE2 MET 1 16.882 -1.353 11.116 1.00 33.15 ATOM 12 HE3 MET 1 16.208 -0.761 9.598 1.00 1.11 ATOM 13 C MET 1 20.455 -3.248 8.517 1.00 74.51 ATOM 14 O MET 1 20.807 -3.129 7.344 1.00 3.34 ATOM 15 N MET 1 21.955 -1.371 9.032 1.00 71.54 ATOM 16 HT1 MET 1 22.225 -0.654 9.740 1.00 37.22 ATOM 17 HT2 MET 1 21.557 -0.888 8.200 1.00 37.22 ATOM 18 HT3 MET 1 22.818 -1.871 8.735 1.00 37.22 ATOM 19 CA MET 1 21.008 -2.325 9.598 1.00 61.33 ATOM 20 N GLY 2 19.585 -4.170 8.920 1.00 22.32 ATOM 21 HN GLY 2 19.345 -4.244 9.870 1.00 37.22 ATOM 22 CA GLY 2 18.998 -5.100 7.974 1.00 72.43 ATOM 23 HA1 GLY 2 18.552 -4.548 7.157 1.00 37.22 ATOM 24 HA2 GLY 2 18.223 -5.660 8.477 1.00 64.43 ATOM 25 C GLY 2 20.014 -6.075 7.412 1.00 34.33 ATOM 26 O GLY 2 20.208 -6.150 6.199 1.00 65.14 ATOM 27 N HIS 3 20.665 -6.824 8.297 1.00 73.01 ATOM 28 HN HIS 3 20.487 -6.704 9.258 1.00 37.22 ATOM 29 CA HIS 3 21.668 -7.799 7.883 1.00 54.24 ATOM 30 HA HIS 3 21.847 -7.693 6.818 1.00 62.45 ATOM 31 CB HIS 3 22.982 -7.557 8.625 1.00 1.41 ATOM 32 HB1 HIS 3 22.893 -7.896 9.649 1.00 37.22 ATOM 33 HB2 HIS 3 23.194 -6.497 8.625 1.00 63.13 ATOM 34 CG HIS 3 24.156 -8.250 8.006 1.00 43.03 ATOM 35 ND1 HIS 3 24.716 -9.396 8.530 1.00 5.43 ATOM 36 HD1 HIS 3 24.415 -9.863 9.337 1.00 24.03 ATOM 37 CD2 HIS 3 24.876 -7.954 6.898 1.00 72.30 ATOM 38 HD2 HIS 3 24.715 -7.116 6.234 1.00 13.12 ATOM 39 CE1 HIS 3 25.731 -9.774 7.773 1.00 12.41 ATOM 40 HE1 HIS 3 26.357 -10.638 7.941 1.00 4.12 ATOM 41 NE2 HIS 3 25.848 -8.916 6.775 1.00 23.04 ATOM 42 HE2 HIS 3 26.460 -9.013 6.016 1.00 37.22 ATOM 43 C HIS 3 21.180 -9.222 8.138 1.00 41.20 ATOM 44 O HIS 3 21.602 -10.164 7.466 1.00 51.52 ATOM 45 N HIS 4 20.290 -9.371 9.114 1.00 71.21 ATOM 46 HN HIS 4 19.987 -8.601 9.637 1.00 37.22 ATOM 47 CA HIS 4 19.745 -10.680 9.458 1.00 2.31 ATOM 48 HA HIS 4 20.254 -11.437 8.867 1.00 42.23 ATOM 49 CB HIS 4 19.979 -10.979 10.939 1.00 34.21 ATOM 50 HB1 HIS 4 19.240 -10.466 11.542 1.00 37.22 ATOM 51 HB2 HIS 4 20.962 -10.626 11.218 1.00 64.31 ATOM 52 CG HIS 4 19.919 -12.438 11.272 1.00 70.32 ATOM 53 ND1 HIS 4 18.868 -13.012 11.957 1.00 44.34 ATOM 54 HD1 HIS 4 18.075 -12.541 12.289 1.00 24.45 ATOM 55 CD2 HIS 4 20.787 -13.443 11.008 1.00 3.32 ATOM 56 HD2 HIS 4 21.727 -13.356 10.481 1.00 12.51 ATOM 57 CE1 HIS 4 19.094 -14.305 12.101 1.00 31.34 ATOM 58 HE1 HIS 4 18.442 -15.008 12.597 1.00 12.01 ATOM 59 NE2 HIS 4 20.252 -14.593 11.534 1.00 13.52 ATOM 60 HE2 HIS 4 20.610 -15.497 11.409 1.00 37.22 ATOM 61 C HIS 4 18.254 -10.748 9.142 1.00 41.30 ATOM 62 O HIS 4 17.527 -9.768 9.313 1.00 25.32 ATOM 63 N HIS 5 17.805 -11.910 8.679 1.00 14.11 ATOM 64 HN HIS 5 18.429 -12.667 8.572 1.00 37.22 ATOM 65 CA HIS 5 16.400 -12.105 8.339 1.00 72.42 ATOM 66 HA HIS 5 15.919 -11.133 8.262 1.00 12.31 ATOM 67 CB HIS 5 16.274 -12.813 6.989 1.00 12.22 ATOM 68 HB1 HIS 5 15.310 -13.304 6.920 1.00 37.22 ATOM 69 HB2 HIS 5 17.053 -13.556 6.900 1.00 74.14 ATOM 70 CG HIS 5 16.388 -11.889 5.816 1.00 62.12 ATOM 71 ND1 HIS 5 17.578 -11.648 5.161 1.00 75.21 ATOM 72 HD1 HIS 5 18.446 -12.042 5.387 1.00 45.24 ATOM 73 CD2 HIS 5 15.453 -11.147 5.179 1.00 53.30 ATOM 74 HD2 HIS 5 14.402 -11.092 5.425 1.00 43.43 ATOM 75 CE1 HIS 5 17.369 -10.796 4.173 1.00 31.21 ATOM 76 HE1 HIS 5 18.118 -10.425 3.490 1.00 32.31 ATOM 77 NE2 HIS 5 16.087 -10.477 4.162 1.00 4.42 ATOM 78 HE2 HIS 5 15.645 -9.938 3.473 1.00 37.22 ATOM 79 C HIS 5 15.687 -12.914 9.419 1.00 55.53 ATOM 80 O HIS 5 16.049 -14.058 9.693 1.00 1.13 ATOM 81 N HIS 6 14.671 -12.310 10.029 1.00 60.53 ATOM 82 HN HIS 6 14.409 -11.415 9.743 1.00 37.22 ATOM 83 CA HIS 6 13.907 -12.974 11.079 1.00 20.30 ATOM 84 HA HIS 6 14.487 -13.800 11.474 1.00 43.41 ATOM 85 CB HIS 6 13.622 -12.002 12.224 1.00 40.31 ATOM 86 HB1 HIS 6 14.550 -11.547 12.539 1.00 37.22 ATOM 87 HB2 HIS 6 13.196 -12.547 13.053 1.00 52.43 ATOM 88 CG HIS 6 12.672 -10.904 11.855 1.00 44.12 ATOM 89 ND1 HIS 6 11.395 -10.810 12.366 1.00 61.33 ATOM 90 HD1 HIS 6 10.986 -11.432 13.004 1.00 4.33 ATOM 91 CD2 HIS 6 12.821 -9.848 11.021 1.00 72.11 ATOM 92 HD2 HIS 6 13.708 -9.589 10.463 1.00 65.23 ATOM 93 CE1 HIS 6 10.798 -9.745 11.861 1.00 62.53 ATOM 94 HE1 HIS 6 9.792 -9.420 12.082 1.00 60.11 ATOM 95 NE2 HIS 6 11.642 -9.144 11.042 1.00 41.20 ATOM 96 HE2 HIS 6 11.424 -8.381 10.466 1.00 37.22 ATOM 97 C HIS 6 12.597 -13.529 10.529 1.00 35.53 ATOM 98 O HIS 6 11.587 -13.576 11.232 1.00 14.14 ATOM 99 N HIS 7 12.620 -13.949 9.268 1.00 12.01 ATOM 100 HN HIS 7 13.451 -13.933 8.755 1.00 37.22 ATOM 101 CA HIS 7 11.433 -14.501 8.624 1.00 2.10 ATOM 102 HA HIS 7 10.556 -14.175 9.162 1.00 20.43 ATOM 103 CB HIS 7 11.346 -14.024 7.174 1.00 14.31 ATOM 104 HB1 HIS 7 10.726 -14.701 6.598 1.00 37.22 ATOM 105 HB2 HIS 7 12.337 -14.008 6.743 1.00 34.23 ATOM 106 CG HIS 7 10.759 -12.653 7.029 1.00 71.41 ATOM 107 ND1 HIS 7 9.777 -12.163 7.863 1.00 11.14 ATOM 108 HD1 HIS 7 9.360 -12.643 8.606 1.00 2.12 ATOM 109 CD2 HIS 7 11.022 -11.667 6.140 1.00 23.20 ATOM 110 HD2 HIS 7 11.743 -11.705 5.336 1.00 25.14 ATOM 111 CE1 HIS 7 9.460 -10.935 7.493 1.00 4.11 ATOM 112 HE1 HIS 7 8.721 -10.304 7.964 1.00 35.31 ATOM 113 NE2 HIS 7 10.202 -10.610 6.450 1.00 62.23 ATOM 114 HE2 HIS 7 10.104 -9.791 5.921 1.00 37.22 ATOM 115 C HIS 7 11.450 -16.026 8.670 1.00 12.20 ATOM 116 O HIS 7 12.438 -16.634 9.082 1.00 21.11 ATOM 117 N HIS 8 10.349 -16.638 8.245 1.00 11.02 ATOM 118 HN HIS 8 9.591 -16.101 7.913 1.00 37.22 ATOM 119 CA HIS 8 10.237 -18.092 8.238 1.00 21.22 ATOM 120 HA HIS 8 11.017 -18.495 8.872 1.00 62.50 ATOM 121 CB HIS 8 8.875 -18.523 8.784 1.00 42.32 ATOM 122 HB1 HIS 8 8.117 -18.451 8.016 1.00 37.22 ATOM 123 HB2 HIS 8 8.603 -17.865 9.598 1.00 70.52 ATOM 124 CG HIS 8 8.861 -19.919 9.326 1.00 4.32 ATOM 125 ND1 HIS 8 7.700 -20.626 9.554 1.00 71.33 ATOM 126 HD1 HIS 8 6.790 -20.300 9.391 1.00 4.43 ATOM 127 CD2 HIS 8 9.876 -20.739 9.685 1.00 23.12 ATOM 128 HD2 HIS 8 10.932 -20.513 9.639 1.00 3.22 ATOM 129 CE1 HIS 8 8.001 -21.821 10.031 1.00 51.22 ATOM 130 HE1 HIS 8 7.293 -22.590 10.301 1.00 75.24 ATOM 131 NE2 HIS 8 9.315 -21.915 10.120 1.00 44.23 ATOM 132 HE2 HIS 8 9.808 -22.729 10.353 1.00 37.22 ATOM 133 C HIS 8 10.432 -18.645 6.830 1.00 60.43 ATOM 134 O HIS 8 9.475 -19.066 6.179 1.00 0.44 ATOM 135 N SER 9 11.677 -18.641 6.365 1.00 61.25 ATOM 136 HN SER 9 12.409 -18.304 6.932 1.00 37.22 ATOM 137 CA SER 9 11.997 -19.138 5.031 1.00 32.24 ATOM 138 HA SER 9 11.079 -19.345 4.494 1.00 52.55 ATOM 139 CB SER 9 12.780 -18.085 4.246 1.00 52.25 ATOM 140 HB1 SER 9 12.690 -18.286 3.189 1.00 37.22 ATOM 141 HB2 SER 9 13.825 -18.103 4.529 1.00 72.24 ATOM 142 OG SER 9 12.285 -16.783 4.505 1.00 0.42 ATOM 143 HG SER 9 11.497 -16.626 3.979 1.00 23.55 ATOM 144 C SER 9 12.802 -20.431 5.112 1.00 22.54 ATOM 145 O SER 9 14.022 -20.429 4.940 1.00 14.14 ATOM 146 N HIS 10 12.111 -21.536 5.376 1.00 61.12 ATOM 147 HN HIS 10 11.137 -21.486 5.507 1.00 37.22 ATOM 148 CA HIS 10 12.761 -22.838 5.479 1.00 11.24 ATOM 149 HA HIS 10 11.997 -23.568 5.711 1.00 10.21 ATOM 150 CB HIS 10 13.438 -23.200 4.157 1.00 31.23 ATOM 151 HB1 HIS 10 14.381 -23.698 4.338 1.00 37.22 ATOM 152 HB2 HIS 10 13.629 -22.316 3.572 1.00 52.23 ATOM 153 CG HIS 10 12.625 -24.121 3.301 1.00 54.15 ATOM 154 ND1 HIS 10 12.115 -23.753 2.073 1.00 22.01 ATOM 155 HD1 HIS 10 12.226 -22.878 1.646 1.00 25.43 ATOM 156 CD2 HIS 10 12.235 -25.402 3.500 1.00 54.35 ATOM 157 HD2 HIS 10 12.458 -26.013 4.363 1.00 53.53 ATOM 158 CE1 HIS 10 11.446 -24.767 1.555 1.00 74.11 ATOM 159 HE1 HIS 10 10.940 -24.768 0.601 1.00 12.31 ATOM 160 NE2 HIS 10 11.503 -25.780 2.401 1.00 61.04 ATOM 161 HE2 HIS 10 11.170 -26.684 2.223 1.00 37.22 ATOM 162 C HIS 10 13.787 -22.845 6.609 1.00 51.54 ATOM 163 O HIS 10 14.683 -23.687 6.640 1.00 4.02 ATOM 164 N MET 11 13.649 -21.900 7.533 1.00 52.52 ATOM 165 HN MET 11 12.874 -21.299 7.513 1.00 37.22 ATOM 166 CA MET 11 14.564 -21.798 8.664 1.00 51.44 ATOM 167 HA MET 11 15.576 -21.943 8.299 1.00 32.54 ATOM 168 CB MET 11 14.457 -20.415 9.311 1.00 71.42 ATOM 169 HB1 MET 11 14.696 -20.477 10.365 1.00 37.22 ATOM 170 HB2 MET 11 13.441 -20.057 9.214 1.00 63.24 ATOM 171 CG MET 11 15.379 -19.380 8.688 1.00 2.14 ATOM 172 HG1 MET 11 15.064 -19.209 7.669 1.00 37.22 ATOM 173 HG2 MET 11 16.387 -19.771 8.688 1.00 4.24 ATOM 174 SD MET 11 15.353 -17.807 9.570 1.00 71.12 ATOM 175 CE MET 11 17.106 -17.467 9.707 1.00 0.33 ATOM 176 HE1 MET 11 17.252 -16.531 10.227 1.00 11.35 ATOM 177 HE2 MET 11 17.538 -17.401 8.719 1.00 52.40 ATOM 178 HE3 MET 11 17.585 -18.263 10.258 1.00 73.11 ATOM 179 C MET 11 14.273 -22.880 9.698 1.00 34.20 ATOM 180 O MET 11 13.360 -23.687 9.525 1.00 24.12 ATOM 181 N ASN 12 15.054 -22.891 10.773 1.00 63.01 ATOM 182 HN ASN 12 15.781 -22.228 10.852 1.00 37.22 ATOM 183 CA ASN 12 14.880 -23.876 11.835 1.00 41.53 ATOM 184 HA ASN 12 14.780 -24.853 11.372 1.00 65.53 ATOM 185 CB ASN 12 16.097 -23.876 12.763 1.00 74.45 ATOM 186 HB1 ASN 12 15.802 -24.196 13.756 1.00 37.22 ATOM 187 HB2 ASN 12 16.499 -22.874 12.827 1.00 62.14 ATOM 188 CG ASN 12 17.188 -24.814 12.284 1.00 20.31 ATOM 189 OD1 ASN 12 16.914 -25.932 11.847 1.00 53.25 ATOM 190 ND2 ASN 12 18.434 -24.362 12.366 1.00 61.42 ATOM 191 HD21 ASN 12 18.596 -23.460 12.725 1.00 13.22 ATOM 192 HD22 ASN 12 19.153 -24.954 12.061 1.00 41.13 ATOM 193 C ASN 12 13.614 -23.591 12.638 1.00 63.43 ATOM 194 O ASN 12 13.264 -22.436 12.875 1.00 53.40 ATOM 195 N SER 13 12.933 -24.654 13.054 1.00 71.23 ATOM 196 HN SER 13 13.273 -25.557 12.842 1.00 37.22 ATOM 197 CA SER 13 11.704 -24.520 13.827 1.00 3.45 ATOM 198 HA SER 13 11.072 -23.788 13.339 1.00 2.24 ATOM 199 CB SER 13 10.959 -25.855 13.878 1.00 44.03 ATOM 200 HB1 SER 13 10.396 -25.933 14.798 1.00 37.22 ATOM 201 HB2 SER 13 11.662 -26.669 13.823 1.00 40.01 ATOM 202 OG SER 13 10.054 -25.975 12.794 1.00 22.00 ATOM 203 HG SER 13 9.831 -26.899 12.659 1.00 42.11 ATOM 204 C SER 13 12.004 -24.038 15.244 1.00 62.13 ATOM 205 O SER 13 11.161 -23.419 15.892 1.00 2.11 ATOM 206 N ALA 14 13.212 -24.328 15.717 1.00 12.31 ATOM 207 HN ALA 14 13.857 -24.807 15.153 1.00 37.22 ATOM 208 CA ALA 14 13.625 -23.923 17.055 1.00 20.31 ATOM 209 HA ALA 14 13.038 -24.473 17.759 1.00 14.52 ATOM 210 CB ALA 14 15.090 -24.265 17.281 1.00 44.23 ATOM 211 HB1 ALA 14 15.686 -23.815 16.501 1.00 20.03 ATOM 212 HB2 ALA 14 15.216 -25.337 17.254 1.00 34.33 ATOM 213 HB3 ALA 14 15.416 -23.890 18.242 1.00 10.52 ATOM 214 C ALA 14 13.387 -22.433 17.276 1.00 31.44 ATOM 215 O ALA 14 12.979 -22.015 18.359 1.00 32.43 ATOM 216 N GLU 15 13.645 -21.638 16.243 1.00 5.43 ATOM 217 HN GLU 15 13.988 -22.026 15.403 1.00 37.22 ATOM 218 CA GLU 15 13.460 -20.194 16.327 1.00 2.32 ATOM 219 HA GLU 15 14.161 -19.812 17.058 1.00 11.32 ATOM 220 CB GLU 15 13.729 -19.543 14.969 1.00 44.13 ATOM 221 HB1 GLU 15 13.102 -18.666 14.870 1.00 37.22 ATOM 222 HB2 GLU 15 13.466 -20.242 14.185 1.00 11.12 ATOM 223 CG GLU 15 15.179 -19.133 14.767 1.00 55.13 ATOM 224 HG1 GLU 15 15.713 -19.961 14.326 1.00 37.22 ATOM 225 HG2 GLU 15 15.625 -18.887 15.722 1.00 25.14 ATOM 226 CD GLU 15 15.323 -17.929 13.857 1.00 54.43 ATOM 227 OE1 GLU 15 14.449 -17.038 13.909 1.00 35.04 ATOM 228 OE2 GLU 15 16.308 -17.877 13.092 1.00 4.41 ATOM 229 C GLU 15 12.049 -19.853 16.796 1.00 13.40 ATOM 230 O GLU 15 11.867 -19.128 17.774 1.00 24.54 ATOM 231 N GLN 16 11.053 -20.379 16.090 1.00 65.31 ATOM 232 HN GLN 16 11.264 -20.959 15.319 1.00 37.22 ATOM 233 CA GLN 16 9.658 -20.130 16.433 1.00 44.41 ATOM 234 HA GLN 16 9.538 -19.072 16.630 1.00 54.10 ATOM 235 CB GLN 16 8.748 -20.514 15.266 1.00 53.25 ATOM 236 HB1 GLN 16 9.076 -19.985 14.383 1.00 37.22 ATOM 237 HB2 GLN 16 7.737 -20.206 15.502 1.00 64.52 ATOM 238 CG GLN 16 8.749 -22.002 14.957 1.00 21.30 ATOM 239 HG1 GLN 16 8.691 -22.576 15.867 1.00 37.22 ATOM 240 HG2 GLN 16 9.664 -22.240 14.442 1.00 44.32 ATOM 241 CD GLN 16 7.593 -22.415 14.068 1.00 34.21 ATOM 242 OE1 GLN 16 7.101 -21.625 13.262 1.00 42.30 ATOM 243 NE2 GLN 16 7.151 -23.659 14.210 1.00 21.55 ATOM 244 HE21 GLN 16 7.581 -24.248 14.871 1.00 43.13 ATOM 245 HE22 GLN 16 6.404 -23.945 13.644 1.00 2.44 ATOM 246 C GLN 16 9.258 -20.906 17.683 1.00 72.22 ATOM 247 O GLN 16 8.347 -20.507 18.410 1.00 24.31 ATOM 248 N THR 17 9.943 -22.019 17.928 1.00 42.25 ATOM 249 HN THR 17 10.647 -22.308 17.306 1.00 37.22 ATOM 250 CA THR 17 9.658 -22.852 19.088 1.00 20.54 ATOM 251 HA THR 17 8.597 -23.073 19.095 1.00 74.14 ATOM 252 CB THR 17 10.425 -24.187 19.024 1.00 54.03 ATOM 253 HB THR 17 11.480 -23.977 19.018 1.00 5.13 ATOM 254 OG1 THR 17 10.081 -24.891 17.825 1.00 25.41 ATOM 255 HG1 THR 17 9.133 -25.076 17.792 1.00 3.25 ATOM 256 CG2 THR 17 10.108 -25.052 20.234 1.00 5.15 ATOM 257 HG21 THR 17 10.410 -26.056 20.014 1.00 42.41 ATOM 258 HG22 THR 17 9.046 -25.035 20.442 1.00 1.12 ATOM 259 HG23 THR 17 10.654 -24.694 21.094 1.00 23.22 ATOM 260 C THR 17 10.020 -22.134 20.383 1.00 33.14 ATOM 261 O THR 17 9.266 -22.170 21.356 1.00 3.04 ATOM 262 N VAL 18 11.177 -21.481 20.389 1.00 4.10 ATOM 263 HN VAL 18 11.724 -21.471 19.573 1.00 37.22 ATOM 264 CA VAL 18 11.638 -20.752 21.565 1.00 42.04 ATOM 265 HA VAL 18 11.764 -21.462 22.373 1.00 44.02 ATOM 266 CB VAL 18 12.993 -20.066 21.305 1.00 73.34 ATOM 267 HB VAL 18 12.874 -19.367 20.488 1.00 64.45 ATOM 268 CG1 VAL 18 13.442 -19.289 22.532 1.00 23.14 ATOM 269 HG11 VAL 18 14.470 -18.972 22.408 1.00 42.31 ATOM 270 HG12 VAL 18 13.367 -19.911 23.414 1.00 52.53 ATOM 271 HG13 VAL 18 12.824 -18.416 22.654 1.00 62.21 ATOM 272 CG2 VAL 18 14.040 -21.093 20.900 1.00 0.31 ATOM 273 HG21 VAL 18 14.289 -21.706 21.753 1.00 52.14 ATOM 274 HG22 VAL 18 14.928 -20.580 20.565 1.00 31.03 ATOM 275 HG23 VAL 18 13.684 -21.711 20.118 1.00 74.02 ATOM 276 C VAL 18 10.622 -19.699 21.992 1.00 73.22 ATOM 277 O VAL 18 10.177 -19.679 23.140 1.00 53.30 ATOM 278 N THR 19 10.257 -18.824 21.060 1.00 74.33 ATOM 279 HN THR 19 10.648 -18.891 20.156 1.00 37.22 ATOM 280 CA THR 19 9.293 -17.767 21.339 1.00 32.41 ATOM 281 HA THR 19 9.704 -17.130 22.109 1.00 22.12 ATOM 282 CB THR 19 9.029 -16.904 20.091 1.00 13.33 ATOM 283 HB THR 19 8.616 -17.533 19.313 1.00 43.02 ATOM 284 OG1 THR 19 10.255 -16.332 19.623 1.00 40.31 ATOM 285 HG1 THR 19 10.182 -16.133 18.686 1.00 34.41 ATOM 286 CG2 THR 19 8.032 -15.797 20.400 1.00 3.45 ATOM 287 HG21 THR 19 8.305 -15.297 21.320 1.00 53.02 ATOM 288 HG22 THR 19 7.040 -16.212 20.495 1.00 74.51 ATOM 289 HG23 THR 19 8.039 -15.080 19.592 1.00 31.51 ATOM 290 C THR 19 7.971 -18.345 21.832 1.00 1.03 ATOM 291 O THR 19 7.295 -17.746 22.668 1.00 11.15 ATOM 292 N TRP 20 7.609 -19.511 21.310 1.00 23.34 ATOM 293 HN TRP 20 8.181 -19.941 20.632 1.00 37.22 ATOM 294 CA TRP 20 6.367 -20.170 21.699 1.00 24.12 ATOM 295 HA TRP 20 5.551 -19.479 21.532 1.00 62.13 ATOM 296 CB TRP 20 6.136 -21.415 20.841 1.00 51.43 ATOM 297 HB1 TRP 20 6.992 -22.060 20.914 1.00 37.22 ATOM 298 HB2 TRP 20 6.008 -21.114 19.812 1.00 51.13 ATOM 299 CG TRP 20 4.924 -22.198 21.245 1.00 21.33 ATOM 300 CD1 TRP 20 3.662 -21.714 21.437 1.00 34.34 ATOM 301 HD1 TRP 20 3.382 -20.678 21.316 1.00 54.24 ATOM 302 CD2 TRP 20 4.861 -23.604 21.509 1.00 25.21 ATOM 303 NE1 TRP 20 2.818 -22.735 21.805 1.00 52.31 ATOM 304 HE1 TRP 20 1.862 -22.640 22.000 1.00 42.02 ATOM 305 CE2 TRP 20 3.529 -23.904 21.855 1.00 23.11 ATOM 306 CE3 TRP 20 5.800 -24.639 21.485 1.00 42.03 ATOM 307 HE3 TRP 20 6.831 -24.451 21.226 1.00 74.42 ATOM 308 CZ2 TRP 20 3.116 -25.195 22.175 1.00 42.33 ATOM 309 HZ2 TRP 20 2.095 -25.417 22.432 1.00 72.54 ATOM 310 CZ3 TRP 20 5.389 -25.919 21.803 1.00 73.35 ATOM 311 HZ3 TRP 20 6.095 -26.729 21.794 1.00 43.24 ATOM 312 CH2 TRP 20 4.056 -26.189 22.143 1.00 43.50 ATOM 313 HH2 TRP 20 3.791 -27.186 22.384 1.00 33.22 ATOM 314 C TRP 20 6.393 -20.553 23.175 1.00 41.12 ATOM 315 O TRP 20 5.401 -20.389 23.886 1.00 1.13 ATOM 316 N LEU 21 7.532 -21.063 23.629 1.00 23.13 ATOM 317 HN LEU 21 8.294 -21.177 23.012 1.00 37.22 ATOM 318 CA LEU 21 7.687 -21.469 25.022 1.00 71.20 ATOM 319 HA LEU 21 6.837 -22.076 25.298 1.00 43.34 ATOM 320 CB LEU 21 8.966 -22.290 25.195 1.00 10.05 ATOM 321 HB1 LEU 21 9.066 -22.539 26.244 1.00 37.22 ATOM 322 HB2 LEU 21 9.805 -21.669 24.910 1.00 73.12 ATOM 323 CG LEU 21 9.042 -23.591 24.396 1.00 31.43 ATOM 324 HG LEU 21 8.988 -23.366 23.347 1.00 72.01 ATOM 325 CD1 LEU 21 10.362 -24.301 24.656 1.00 52.12 ATOM 326 HD11 LEU 21 11.182 -23.653 24.379 1.00 61.22 ATOM 327 HD12 LEU 21 10.410 -25.206 24.066 1.00 1.01 ATOM 328 HD13 LEU 21 10.442 -24.552 25.705 1.00 23.21 ATOM 329 CD2 LEU 21 7.870 -24.498 24.742 1.00 72.43 ATOM 330 HD21 LEU 21 6.943 -24.027 24.452 1.00 62.11 ATOM 331 HD22 LEU 21 7.859 -24.695 25.805 1.00 50.04 ATOM 332 HD23 LEU 21 7.972 -25.432 24.207 1.00 31.43 ATOM 333 C LEU 21 7.720 -20.254 25.943 1.00 1.21 ATOM 334 O LEU 21 7.331 -20.335 27.109 1.00 64.44 ATOM 335 N ILE 22 8.185 -19.128 25.412 1.00 54.01 ATOM 336 HN ILE 22 8.494 -19.116 24.477 1.00 37.22 ATOM 337 CA ILE 22 8.265 -17.895 26.185 1.00 20.25 ATOM 338 HA ILE 22 8.601 -18.136 27.183 1.00 61.30 ATOM 339 CB ILE 22 9.268 -16.905 25.564 1.00 32.12 ATOM 340 HB ILE 22 8.921 -16.653 24.570 1.00 71.01 ATOM 341 CG1 ILE 22 10.655 -17.543 25.468 1.00 21.22 ATOM 342 HG11 ILE 22 10.574 -18.560 25.127 1.00 37.22 ATOM 343 HG12 ILE 22 11.121 -17.545 26.444 1.00 65.11 ATOM 344 CG2 ILE 22 9.324 -15.624 26.383 1.00 55.01 ATOM 345 HG21 ILE 22 9.626 -15.851 27.396 1.00 42.44 ATOM 346 HG22 ILE 22 8.358 -15.144 26.395 1.00 61.43 ATOM 347 HG23 ILE 22 10.035 -14.945 25.944 1.00 21.12 ATOM 348 CD1 ILE 22 11.587 -16.823 24.520 1.00 44.43 ATOM 349 HD11 ILE 22 11.509 -15.757 24.652 1.00 72.40 ATOM 350 HD12 ILE 22 11.328 -17.075 23.506 1.00 31.30 ATOM 351 HD13 ILE 22 12.603 -17.133 24.715 1.00 51.24 ATOM 352 C ILE 22 6.901 -17.222 26.290 1.00 51.33 ATOM 353 O ILE 22 6.424 -16.925 27.386 1.00 41.23 ATOM 354 N THR 23 6.275 -16.984 25.141 1.00 10.11 ATOM 355 HN THR 23 6.707 -17.243 24.294 1.00 37.22 ATOM 356 CA THR 23 4.965 -16.346 25.102 1.00 21.23 ATOM 357 HA THR 23 5.064 -15.348 25.507 1.00 32.24 ATOM 358 CB THR 23 4.440 -16.229 23.659 1.00 40.30 ATOM 359 HB THR 23 5.198 -15.753 23.054 1.00 11.51 ATOM 360 OG1 THR 23 3.251 -15.431 23.634 1.00 43.34 ATOM 361 HG1 THR 23 3.487 -14.500 23.652 1.00 35.32 ATOM 362 CG2 THR 23 4.147 -17.603 23.076 1.00 11.12 ATOM 363 HG21 THR 23 3.969 -17.507 22.015 1.00 45.52 ATOM 364 HG22 THR 23 3.271 -18.026 23.543 1.00 51.22 ATOM 365 HG23 THR 23 4.987 -18.244 23.235 1.00 12.51 ATOM 366 C THR 23 3.952 -17.120 25.938 1.00 11.11 ATOM 367 O THR 23 2.977 -16.552 26.433 1.00 72.44 ATOM 368 N LEU 24 4.188 -18.418 26.093 1.00 2.13 ATOM 369 HN LEU 24 4.953 -18.837 25.640 1.00 37.22 ATOM 370 CA LEU 24 3.296 -19.270 26.871 1.00 33.41 ATOM 371 HA LEU 24 2.273 -19.019 26.614 1.00 64.23 ATOM 372 CB LEU 24 3.546 -20.742 26.539 1.00 63.34 ATOM 373 HB1 LEU 24 3.248 -21.351 27.388 1.00 37.22 ATOM 374 HB2 LEU 24 4.614 -20.870 26.404 1.00 25.11 ATOM 375 CG LEU 24 2.833 -21.281 25.298 1.00 41.11 ATOM 376 HG LEU 24 2.918 -20.561 24.496 1.00 41.35 ATOM 377 CD1 LEU 24 3.480 -22.575 24.830 1.00 30.42 ATOM 378 HD11 LEU 24 2.735 -23.248 24.423 1.00 34.23 ATOM 379 HD12 LEU 24 3.973 -23.052 25.660 1.00 21.01 ATOM 380 HD13 LEU 24 4.207 -22.360 24.068 1.00 53.44 ATOM 381 CD2 LEU 24 1.354 -21.495 25.584 1.00 52.33 ATOM 382 HD21 LEU 24 0.861 -21.859 24.693 1.00 40.13 ATOM 383 HD22 LEU 24 0.902 -20.560 25.881 1.00 63.22 ATOM 384 HD23 LEU 24 1.236 -22.219 26.379 1.00 43.45 ATOM 385 C LEU 24 3.485 -19.036 28.366 1.00 14.34 ATOM 386 O LEU 24 2.573 -19.263 29.161 1.00 42.22 ATOM 387 N GLY 25 4.675 -18.577 28.743 1.00 73.22 ATOM 388 HN GLY 25 5.385 -18.441 28.090 1.00 37.22 ATOM 389 CA GLY 25 4.961 -18.317 30.141 1.00 30.25 ATOM 390 HA1 GLY 25 4.075 -17.934 30.634 1.00 37.22 ATOM 391 HA2 GLY 25 5.736 -17.567 30.198 1.00 61.00 ATOM 392 C GLY 25 5.435 -19.555 30.876 1.00 33.43 ATOM 393 O GLY 25 5.126 -19.744 32.053 1.00 72.31 ATOM 394 N VAL 26 6.186 -20.403 30.181 1.00 62.22 ATOM 395 HN VAL 26 6.417 -20.191 29.254 1.00 37.22 ATOM 396 CA VAL 26 6.703 -21.631 30.774 1.00 0.43 ATOM 397 HA VAL 26 6.376 -21.701 31.807 1.00 33.30 ATOM 398 CB VAL 26 6.191 -22.875 30.025 1.00 22.20 ATOM 399 HB VAL 26 6.753 -23.742 30.352 1.00 51.14 ATOM 400 CG1 VAL 26 4.727 -23.129 30.348 1.00 14.54 ATOM 401 HG11 VAL 26 4.616 -23.302 31.409 1.00 34.33 ATOM 402 HG12 VAL 26 4.378 -23.997 29.807 1.00 55.03 ATOM 403 HG13 VAL 26 4.143 -22.267 30.063 1.00 44.24 ATOM 404 CG2 VAL 26 6.395 -22.715 28.526 1.00 31.30 ATOM 405 HG21 VAL 26 6.097 -23.628 28.030 1.00 32.02 ATOM 406 HG22 VAL 26 7.432 -22.524 28.306 1.00 64.41 ATOM 407 HG23 VAL 26 5.788 -21.903 28.156 1.00 41.02 ATOM 408 C VAL 26 8.228 -21.642 30.774 1.00 55.34 ATOM 409 O VAL 26 8.856 -22.186 31.683 1.00 51.23 ATOM 410 N LEU 27 8.817 -21.037 29.748 1.00 25.33 ATOM 411 HN LEU 27 8.285 -20.640 29.029 1.00 37.22 ATOM 412 CA LEU 27 10.270 -20.976 29.629 1.00 61.53 ATOM 413 HA LEU 27 10.713 -21.428 30.509 1.00 44.14 ATOM 414 CB LEU 27 10.734 -21.765 28.403 1.00 61.12 ATOM 415 HB1 LEU 27 10.224 -21.354 27.543 1.00 37.22 ATOM 416 HB2 LEU 27 10.419 -22.784 28.524 1.00 55.03 ATOM 417 CG LEU 27 12.236 -21.742 28.119 1.00 24.21 ATOM 418 HG LEU 27 12.565 -20.721 27.999 1.00 41.50 ATOM 419 CD1 LEU 27 13.008 -22.349 29.281 1.00 43.42 ATOM 420 HD11 LEU 27 12.694 -23.365 29.429 1.00 3.34 ATOM 421 HD12 LEU 27 12.826 -21.780 30.181 1.00 35.33 ATOM 422 HD13 LEU 27 14.067 -22.331 29.061 1.00 15.25 ATOM 423 CD2 LEU 27 12.546 -22.482 26.826 1.00 24.42 ATOM 424 HD21 LEU 27 13.608 -22.437 26.627 1.00 60.23 ATOM 425 HD22 LEU 27 12.012 -22.020 26.007 1.00 24.55 ATOM 426 HD23 LEU 27 12.242 -23.516 26.915 1.00 61.12 ATOM 427 C LEU 27 10.748 -19.531 29.529 1.00 62.52 ATOM 428 O LEU 27 10.310 -18.782 28.657 1.00 14.12 ATOM 429 N GLU 28 11.651 -19.149 30.426 1.00 4.02 ATOM 430 HN GLU 28 11.965 -19.795 31.103 1.00 37.22 ATOM 431 CA GLU 28 12.190 -17.794 30.437 1.00 12.13 ATOM 432 HA GLU 28 11.379 -17.116 30.664 1.00 15.00 ATOM 433 CB GLU 28 13.265 -17.657 31.517 1.00 23.41 ATOM 434 HB1 GLU 28 12.864 -18.026 32.451 1.00 37.22 ATOM 435 HB2 GLU 28 13.514 -16.612 31.630 1.00 73.51 ATOM 436 CG GLU 28 14.541 -18.421 31.205 1.00 4.10 ATOM 437 HG1 GLU 28 15.001 -17.999 30.324 1.00 37.22 ATOM 438 HG2 GLU 28 14.294 -19.456 31.019 1.00 24.21 ATOM 439 CD GLU 28 15.549 -18.360 32.336 1.00 3.33 ATOM 440 OE1 GLU 28 15.882 -19.426 32.894 1.00 72.41 ATOM 441 OE2 GLU 28 16.006 -17.244 32.664 1.00 73.23 ATOM 442 C GLU 28 12.772 -17.429 29.075 1.00 41.41 ATOM 443 O GLU 28 13.100 -18.303 28.273 1.00 34.31 ATOM 444 N SER 29 12.898 -16.130 28.820 1.00 35.04 ATOM 445 HN SER 29 12.636 -15.473 29.508 1.00 37.22 ATOM 446 CA SER 29 13.436 -15.648 27.554 1.00 51.21 ATOM 447 HA SER 29 13.268 -16.410 26.803 1.00 44.10 ATOM 448 CB SER 29 12.708 -14.375 27.118 1.00 73.05 ATOM 449 HB1 SER 29 12.121 -13.981 27.938 1.00 37.22 ATOM 450 HB2 SER 29 12.059 -14.604 26.296 1.00 2.12 ATOM 451 OG SER 29 13.626 -13.381 26.696 1.00 72.44 ATOM 452 HG SER 29 13.873 -12.828 27.443 1.00 4.13 ATOM 453 C SER 29 14.933 -15.377 27.668 1.00 0.00 ATOM 454 O SER 29 15.479 -15.213 28.759 1.00 31.24 ATOM 455 N PRO 30 15.614 -15.329 26.514 1.00 43.44 ATOM 456 CA PRO 30 17.057 -15.077 26.456 1.00 24.40 ATOM 457 HA PRO 30 17.605 -15.763 27.087 1.00 71.31 ATOM 458 CB PRO 30 17.405 -15.340 24.989 1.00 71.43 ATOM 459 HB1 PRO 30 17.719 -16.362 24.892 1.00 37.22 ATOM 460 HB2 PRO 30 18.196 -14.688 24.642 1.00 74.35 ATOM 461 CG PRO 30 16.135 -15.095 24.249 1.00 44.12 ATOM 462 HG1 PRO 30 16.107 -15.679 23.347 1.00 37.22 ATOM 463 HG2 PRO 30 16.046 -14.044 24.016 1.00 32.24 ATOM 464 CD PRO 30 15.028 -15.515 25.176 1.00 42.34 ATOM 465 HD1 PRO 30 14.773 -16.552 25.008 1.00 37.22 ATOM 466 HD2 PRO 30 14.171 -14.891 25.018 1.00 74.51 ATOM 467 C PRO 30 17.412 -13.645 26.839 1.00 42.31 ATOM 468 O PRO 30 16.563 -12.888 27.309 1.00 35.04 ATOM 469 N LYS 31 18.673 -13.277 26.634 1.00 34.42 ATOM 470 HN LYS 31 19.324 -13.935 26.299 1.00 37.22 ATOM 471 CA LYS 31 19.141 -11.934 26.956 1.00 74.50 ATOM 472 HA LYS 31 18.347 -11.384 27.450 1.00 75.12 ATOM 473 CB LYS 31 20.346 -12.004 27.896 1.00 11.15 ATOM 474 HB1 LYS 31 20.862 -11.050 27.880 1.00 37.22 ATOM 475 HB2 LYS 31 21.029 -12.764 27.541 1.00 2.21 ATOM 476 CG LYS 31 19.974 -12.291 29.341 1.00 4.10 ATOM 477 HG1 LYS 31 19.008 -11.855 29.564 1.00 37.22 ATOM 478 HG2 LYS 31 20.723 -11.835 29.976 1.00 22.41 ATOM 479 CD LYS 31 19.919 -13.784 29.616 1.00 23.24 ATOM 480 HD1 LYS 31 20.658 -14.299 29.014 1.00 37.22 ATOM 481 HD2 LYS 31 18.934 -14.148 29.365 1.00 53.33 ATOM 482 CE LYS 31 20.195 -14.092 31.080 1.00 15.54 ATOM 483 HE1 LYS 31 19.679 -13.372 31.703 1.00 37.22 ATOM 484 HE2 LYS 31 21.258 -14.020 31.255 1.00 4.22 ATOM 485 NZ LYS 31 19.737 -15.458 31.456 1.00 53.11 ATOM 486 HZ1 LYS 31 19.941 -15.636 32.460 1.00 43.22 ATOM 487 HZ2 LYS 31 20.229 -16.176 30.885 1.00 53.41 ATOM 488 HZ3 LYS 31 18.711 -15.551 31.302 1.00 15.35 ATOM 489 C LYS 31 19.514 -11.170 25.690 1.00 71.33 ATOM 490 O LYS 31 19.463 -9.941 25.656 1.00 14.42 ATOM 491 N LYS 32 19.888 -11.906 24.649 1.00 62.32 ATOM 492 HN LYS 32 19.955 -12.880 24.729 1.00 37.22 ATOM 493 CA LYS 32 20.268 -11.299 23.379 1.00 75.04 ATOM 494 HA LYS 32 19.762 -10.346 23.278 1.00 61.14 ATOM 495 CB LYS 32 21.779 -11.060 23.335 1.00 35.01 ATOM 496 HB1 LYS 32 22.039 -10.567 22.411 1.00 37.22 ATOM 497 HB2 LYS 32 22.284 -12.017 23.377 1.00 21.04 ATOM 498 CG LYS 32 22.291 -10.199 24.477 1.00 63.15 ATOM 499 HG1 LYS 32 21.970 -10.623 25.413 1.00 37.22 ATOM 500 HG2 LYS 32 21.889 -9.201 24.381 1.00 0.43 ATOM 501 CD LYS 32 23.810 -10.144 24.495 1.00 34.20 ATOM 502 HD1 LYS 32 24.216 -11.112 24.225 1.00 37.22 ATOM 503 HD2 LYS 32 24.134 -9.892 25.495 1.00 64.14 ATOM 504 CE LYS 32 24.341 -9.098 23.527 1.00 24.13 ATOM 505 HE1 LYS 32 23.693 -9.033 22.662 1.00 37.22 ATOM 506 HE2 LYS 32 25.327 -9.400 23.207 1.00 64.54 ATOM 507 NZ LYS 32 24.440 -7.755 24.162 1.00 1.41 ATOM 508 HZ1 LYS 32 23.503 -7.438 24.487 1.00 45.42 ATOM 509 HZ2 LYS 32 24.805 -7.064 23.476 1.00 1.33 ATOM 510 HZ3 LYS 32 25.087 -7.787 24.978 1.00 64.44 ATOM 511 C LYS 32 19.848 -12.181 22.207 1.00 52.10 ATOM 512 O LYS 32 19.163 -13.188 22.388 1.00 20.43 ATOM 513 N THR 33 20.264 -11.797 21.004 1.00 14.20 ATOM 514 HN THR 33 20.777 -10.964 20.906 1.00 37.22 ATOM 515 CA THR 33 19.931 -12.553 19.803 1.00 1.51 ATOM 516 HA THR 33 18.848 -12.622 19.753 1.00 61.34 ATOM 517 CB THR 33 20.435 -11.840 18.534 1.00 71.24 ATOM 518 HB THR 33 21.470 -12.111 18.355 1.00 30.14 ATOM 519 OG1 THR 33 20.360 -10.421 18.706 1.00 51.30 ATOM 520 HG1 THR 33 21.227 -10.073 18.934 1.00 3.23 ATOM 521 CG2 THR 33 19.615 -12.253 17.320 1.00 4.23 ATOM 522 HG21 THR 33 18.578 -11.990 17.476 1.00 12.32 ATOM 523 HG22 THR 33 19.698 -13.320 17.172 1.00 72.21 ATOM 524 HG23 THR 33 19.987 -11.740 16.445 1.00 4.45 ATOM 525 C THR 33 20.525 -13.956 19.854 1.00 10.43 ATOM 526 O THR 33 21.691 -14.133 20.208 1.00 31.51 ATOM 527 N ILE 34 19.717 -14.948 19.499 1.00 73.43 ATOM 528 HN ILE 34 18.794 -14.749 19.215 1.00 37.22 ATOM 529 CA ILE 34 20.164 -16.336 19.503 1.00 41.43 ATOM 530 HA ILE 34 21.074 -16.409 20.095 1.00 51.24 ATOM 531 CB ILE 34 19.118 -17.263 20.149 1.00 53.31 ATOM 532 HB ILE 34 18.221 -17.240 19.544 1.00 33.03 ATOM 533 CG1 ILE 34 18.779 -16.779 21.560 1.00 34.45 ATOM 534 HG11 ILE 34 18.505 -15.733 21.530 1.00 37.22 ATOM 535 HG12 ILE 34 19.641 -16.898 22.200 1.00 31.25 ATOM 536 CG2 ILE 34 19.628 -18.696 20.182 1.00 0.51 ATOM 537 HG21 ILE 34 20.537 -18.745 20.766 1.00 54.40 ATOM 538 HG22 ILE 34 19.828 -19.044 19.180 1.00 42.20 ATOM 539 HG23 ILE 34 18.889 -19.343 20.623 1.00 74.11 ATOM 540 CD1 ILE 34 17.625 -17.525 22.194 1.00 71.23 ATOM 541 HD11 ILE 34 16.701 -17.219 21.726 1.00 2.31 ATOM 542 HD12 ILE 34 17.586 -17.302 23.234 1.00 55.12 ATOM 543 HD13 ILE 34 17.746 -18.588 22.077 1.00 43.03 ATOM 544 C ILE 34 20.454 -16.824 18.087 1.00 4.25 ATOM 545 O ILE 34 19.560 -16.880 17.244 1.00 70.24 ATOM 546 N SER 35 21.711 -17.177 17.835 1.00 34.44 ATOM 547 HN SER 35 22.385 -17.128 18.555 1.00 37.22 ATOM 548 CA SER 35 22.120 -17.660 16.521 1.00 10.55 ATOM 549 HA SER 35 21.484 -17.209 15.768 1.00 14.13 ATOM 550 CB SER 35 23.567 -17.254 16.234 1.00 31.22 ATOM 551 HB1 SER 35 24.252 -17.987 16.641 1.00 37.22 ATOM 552 HB2 SER 35 23.767 -16.294 16.691 1.00 50.41 ATOM 553 OG SER 35 23.797 -17.138 14.841 1.00 70.13 ATOM 554 HG SER 35 23.464 -16.293 14.527 1.00 71.33 ATOM 555 C SER 35 21.977 -19.176 16.430 1.00 10.33 ATOM 556 O SER 35 21.785 -19.728 15.347 1.00 61.20 ATOM 557 N ASP 36 22.072 -19.842 17.575 1.00 31.35 ATOM 558 HN ASP 36 22.209 -19.356 18.417 1.00 37.22 ATOM 559 CA ASP 36 21.952 -21.295 17.627 1.00 44.21 ATOM 560 HA ASP 36 21.758 -21.679 16.634 1.00 23.14 ATOM 561 CB ASP 36 23.262 -21.919 18.112 1.00 51.24 ATOM 562 HB1 ASP 36 23.949 -21.970 17.279 1.00 37.22 ATOM 563 HB2 ASP 36 23.086 -22.922 18.480 1.00 22.23 ATOM 564 CG ASP 36 23.916 -21.109 19.214 1.00 33.42 ATOM 565 OD1 ASP 36 23.189 -20.637 20.113 1.00 43.40 ATOM 566 OD2 ASP 36 25.154 -20.948 19.178 1.00 53.11 ATOM 567 C ASP 36 20.806 -21.714 18.542 1.00 53.43 ATOM 568 O ASP 36 21.012 -22.204 19.652 1.00 1.41 ATOM 569 N PRO 37 19.567 -21.516 18.067 1.00 71.03 ATOM 570 CA PRO 37 18.363 -21.866 18.826 1.00 12.21 ATOM 571 HA PRO 37 18.370 -21.419 19.810 1.00 31.42 ATOM 572 CB PRO 37 17.230 -21.258 17.995 1.00 62.33 ATOM 573 HB1 PRO 37 17.004 -20.271 18.369 1.00 37.22 ATOM 574 HB2 PRO 37 16.340 -21.874 18.046 1.00 35.34 ATOM 575 CG PRO 37 17.771 -21.192 16.608 1.00 5.13 ATOM 576 HG1 PRO 37 17.301 -20.383 16.068 1.00 37.22 ATOM 577 HG2 PRO 37 17.600 -22.131 16.102 1.00 14.41 ATOM 578 CD PRO 37 19.246 -20.936 16.751 1.00 24.55 ATOM 579 HD1 PRO 37 19.435 -19.876 16.740 1.00 37.22 ATOM 580 HD2 PRO 37 19.786 -21.430 15.959 1.00 31.11 ATOM 581 C PRO 37 18.178 -23.374 18.957 1.00 13.31 ATOM 582 O PRO 37 17.574 -23.852 19.916 1.00 31.44 ATOM 583 N GLU 38 18.702 -24.116 17.987 1.00 73.21 ATOM 584 HN GLU 38 19.161 -23.681 17.232 1.00 37.22 ATOM 585 CA GLU 38 18.593 -25.570 17.995 1.00 30.33 ATOM 586 HA GLU 38 17.541 -25.826 17.985 1.00 40.51 ATOM 587 CB GLU 38 19.269 -26.162 16.757 1.00 44.33 ATOM 588 HB1 GLU 38 19.510 -27.203 16.949 1.00 37.22 ATOM 589 HB2 GLU 38 20.187 -25.623 16.567 1.00 5.41 ATOM 590 CG GLU 38 18.412 -26.094 15.504 1.00 32.22 ATOM 591 HG1 GLU 38 18.543 -25.124 15.048 1.00 37.22 ATOM 592 HG2 GLU 38 17.371 -26.228 15.771 1.00 45.32 ATOM 593 CD GLU 38 18.779 -27.158 14.488 1.00 42.44 ATOM 594 OE1 GLU 38 18.182 -28.254 14.534 1.00 11.53 ATOM 595 OE2 GLU 38 19.663 -26.895 13.646 1.00 4.41 ATOM 596 C GLU 38 19.219 -26.155 19.258 1.00 33.41 ATOM 597 O GLU 38 18.736 -27.149 19.800 1.00 2.11 ATOM 598 N GLY 39 20.298 -25.531 19.721 1.00 34.20 ATOM 599 HN GLY 39 20.664 -24.751 19.250 1.00 37.22 ATOM 600 CA GLY 39 20.973 -26.004 20.916 1.00 53.24 ATOM 601 HA1 GLY 39 22.012 -25.713 20.859 1.00 37.22 ATOM 602 HA2 GLY 39 20.921 -27.085 20.968 1.00 22.20 ATOM 603 C GLY 39 20.381 -25.423 22.184 1.00 11.43 ATOM 604 O GLY 39 20.235 -26.122 23.187 1.00 72.11 ATOM 605 N PHE 40 20.041 -24.139 22.143 1.00 54.35 ATOM 606 HN PHE 40 20.193 -23.622 21.316 1.00 37.22 ATOM 607 CA PHE 40 19.464 -23.463 23.299 1.00 51.32 ATOM 608 HA PHE 40 20.193 -23.483 24.098 1.00 41.13 ATOM 609 CB PHE 40 19.146 -22.005 22.958 1.00 23.20 ATOM 610 HB1 PHE 40 18.552 -21.980 22.053 1.00 37.22 ATOM 611 HB2 PHE 40 20.075 -21.479 22.777 1.00 40.40 ATOM 612 CG PHE 40 18.396 -21.286 24.042 1.00 12.12 ATOM 613 CD1 PHE 40 19.075 -20.645 25.066 1.00 64.43 ATOM 614 HD1 PHE 40 20.156 -20.663 25.083 1.00 62.42 ATOM 615 CD2 PHE 40 17.011 -21.251 24.038 1.00 13.11 ATOM 616 HD2 PHE 40 16.466 -21.746 23.246 1.00 60.14 ATOM 617 CE1 PHE 40 18.388 -19.982 26.065 1.00 71.22 ATOM 618 HE1 PHE 40 18.930 -19.487 26.857 1.00 43.31 ATOM 619 CE2 PHE 40 16.318 -20.589 25.034 1.00 31.01 ATOM 620 HE2 PHE 40 15.238 -20.569 25.020 1.00 23.40 ATOM 621 CZ PHE 40 17.007 -19.955 26.049 1.00 22.04 ATOM 622 HZ PHE 40 16.467 -19.438 26.828 1.00 22.04 ATOM 623 C PHE 40 18.199 -24.174 23.770 1.00 73.05 ATOM 624 O PHE 40 17.831 -24.100 24.943 1.00 61.21 ATOM 625 N LEU 41 17.536 -24.862 22.847 1.00 61.35 ATOM 626 HN LEU 41 17.842 -24.860 21.913 1.00 37.22 ATOM 627 CA LEU 41 16.311 -25.587 23.165 1.00 21.44 ATOM 628 HA LEU 41 15.788 -25.042 23.925 1.00 13.24 ATOM 629 CB LEU 41 15.427 -25.706 21.923 1.00 63.44 ATOM 630 HB1 LEU 41 14.759 -26.554 22.046 1.00 37.22 ATOM 631 HB2 LEU 41 16.073 -25.905 21.079 1.00 3.32 ATOM 632 CG LEU 41 14.575 -24.482 21.585 1.00 31.54 ATOM 633 HG LEU 41 15.225 -23.635 21.425 1.00 61.41 ATOM 634 CD1 LEU 41 13.787 -24.717 20.306 1.00 50.20 ATOM 635 HD11 LEU 41 13.488 -23.776 19.892 1.00 51.51 ATOM 636 HD12 LEU 41 12.906 -25.310 20.517 1.00 23.53 ATOM 637 HD13 LEU 41 14.397 -25.245 19.593 1.00 63.43 ATOM 638 CD2 LEU 41 13.638 -24.151 22.738 1.00 60.11 ATOM 639 HD21 LEU 41 14.211 -23.835 23.594 1.00 63.43 ATOM 640 HD22 LEU 41 13.053 -25.022 22.998 1.00 4.32 ATOM 641 HD23 LEU 41 12.971 -23.349 22.447 1.00 51.01 ATOM 642 C LEU 41 16.627 -26.975 23.714 1.00 71.34 ATOM 643 O LEU 41 15.999 -27.433 24.668 1.00 2.00 ATOM 644 N GLN 42 17.605 -27.638 23.104 1.00 33.15 ATOM 645 HN GLN 42 18.062 -27.229 22.331 1.00 37.22 ATOM 646 CA GLN 42 18.004 -28.973 23.533 1.00 24.22 ATOM 647 HA GLN 42 17.182 -29.645 23.331 1.00 62.34 ATOM 648 CB GLN 42 19.232 -29.438 22.748 1.00 41.22 ATOM 649 HB1 GLN 42 20.076 -28.804 22.992 1.00 37.22 ATOM 650 HB2 GLN 42 19.017 -29.333 21.693 1.00 53.23 ATOM 651 CG GLN 42 19.605 -30.889 23.004 1.00 1.03 ATOM 652 HG1 GLN 42 20.065 -31.280 22.108 1.00 37.22 ATOM 653 HG2 GLN 42 18.711 -31.462 23.215 1.00 63.20 ATOM 654 CD GLN 42 20.588 -31.046 24.148 1.00 52.40 ATOM 655 OE1 GLN 42 21.721 -30.568 24.078 1.00 33.31 ATOM 656 NE2 GLN 42 20.158 -31.717 25.210 1.00 23.11 ATOM 657 HE21 GLN 42 19.242 -32.077 25.214 1.00 35.11 ATOM 658 HE22 GLN 42 20.780 -31.829 25.959 1.00 33.03 ATOM 659 C GLN 42 18.303 -28.998 25.028 1.00 23.15 ATOM 660 O GLN 42 17.804 -29.855 25.757 1.00 61.21 ATOM 661 N ALA 43 19.121 -28.053 25.479 1.00 2.52 ATOM 662 HN ALA 43 19.491 -27.392 24.845 1.00 37.22 ATOM 663 CA ALA 43 19.485 -27.965 26.888 1.00 62.21 ATOM 664 HA ALA 43 19.885 -28.923 27.196 1.00 0.22 ATOM 665 CB ALA 43 20.572 -26.920 27.088 1.00 2.43 ATOM 666 HB1 ALA 43 21.423 -27.167 26.470 1.00 45.00 ATOM 667 HB2 ALA 43 20.876 -26.904 28.125 1.00 24.43 ATOM 668 HB3 ALA 43 20.197 -25.946 26.807 1.00 4.31 ATOM 669 C ALA 43 18.270 -27.640 27.750 1.00 41.32 ATOM 670 O ALA 43 18.068 -28.238 28.807 1.00 65.05 ATOM 671 N SER 44 17.464 -26.687 27.292 1.00 34.50 ATOM 672 HN SER 44 17.679 -26.237 26.440 1.00 37.22 ATOM 673 CA SER 44 16.270 -26.279 28.024 1.00 62.31 ATOM 674 HA SER 44 16.569 -25.986 29.022 1.00 3.40 ATOM 675 CB SER 44 15.610 -25.082 27.338 1.00 40.22 ATOM 676 HB1 SER 44 16.343 -24.301 27.199 1.00 37.22 ATOM 677 HB2 SER 44 14.804 -24.712 27.956 1.00 2.41 ATOM 678 OG SER 44 15.085 -25.445 26.073 1.00 51.24 ATOM 679 HG SER 44 14.533 -24.734 25.739 1.00 53.41 ATOM 680 C SER 44 15.276 -27.432 28.128 1.00 1.11 ATOM 681 O SER 44 14.464 -27.485 29.052 1.00 14.04 ATOM 682 N LEU 45 15.346 -28.353 27.174 1.00 64.32 ATOM 683 HN LEU 45 15.996 -28.259 26.442 1.00 37.22 ATOM 684 CA LEU 45 14.453 -29.507 27.156 1.00 1.54 ATOM 685 HA LEU 45 13.543 -29.257 27.687 1.00 5.54 ATOM 686 CB LEU 45 14.086 -29.871 25.717 1.00 41.43 ATOM 687 HB1 LEU 45 13.521 -30.797 25.720 1.00 37.22 ATOM 688 HB2 LEU 45 15.014 -30.041 25.187 1.00 60.35 ATOM 689 CG LEU 45 13.291 -28.820 24.941 1.00 42.05 ATOM 690 HG LEU 45 13.751 -27.854 25.071 1.00 24.33 ATOM 691 CD1 LEU 45 13.288 -29.143 23.455 1.00 70.45 ATOM 692 HD11 LEU 45 14.275 -29.441 23.143 1.00 13.21 ATOM 693 HD12 LEU 45 12.993 -28.264 22.901 1.00 54.24 ATOM 694 HD13 LEU 45 12.591 -29.939 23.256 1.00 74.13 ATOM 695 CD2 LEU 45 11.868 -28.728 25.471 1.00 20.44 ATOM 696 HD21 LEU 45 11.374 -29.684 25.360 1.00 32.35 ATOM 697 HD22 LEU 45 11.322 -27.976 24.917 1.00 55.44 ATOM 698 HD23 LEU 45 11.886 -28.453 26.516 1.00 71.42 ATOM 699 C LEU 45 15.097 -30.704 27.848 1.00 73.34 ATOM 700 O LEU 45 14.413 -31.652 28.237 1.00 43.42 ATOM 701 N LYS 46 16.416 -30.655 27.999 1.00 12.22 ATOM 702 HN LYS 46 16.919 -29.902 27.634 1.00 37.22 ATOM 703 CA LYS 46 17.153 -31.733 28.647 1.00 60.43 ATOM 704 HA LYS 46 17.090 -32.603 28.007 1.00 45.03 ATOM 705 CB LYS 46 18.621 -31.340 28.824 1.00 23.33 ATOM 706 HB1 LYS 46 18.722 -30.706 29.698 1.00 37.22 ATOM 707 HB2 LYS 46 18.938 -30.781 27.953 1.00 2.23 ATOM 708 CG LYS 46 19.555 -32.529 28.975 1.00 42.34 ATOM 709 HG1 LYS 46 19.569 -33.082 28.047 1.00 37.22 ATOM 710 HG2 LYS 46 19.175 -33.160 29.766 1.00 33.42 ATOM 711 CD LYS 46 20.970 -32.087 29.312 1.00 74.33 ATOM 712 HD1 LYS 46 20.947 -31.136 29.831 1.00 37.22 ATOM 713 HD2 LYS 46 21.529 -31.981 28.395 1.00 53.52 ATOM 714 CE LYS 46 21.674 -33.103 30.198 1.00 0.22 ATOM 715 HE1 LYS 46 21.622 -34.078 29.730 1.00 37.22 ATOM 716 HE2 LYS 46 21.174 -33.137 31.154 1.00 13.42 ATOM 717 NZ LYS 46 23.105 -32.752 30.414 1.00 22.40 ATOM 718 HZ1 LYS 46 23.184 -31.821 30.875 1.00 63.32 ATOM 719 HZ2 LYS 46 23.612 -32.721 29.505 1.00 51.14 ATOM 720 HZ3 LYS 46 23.557 -33.465 31.022 1.00 52.11 ATOM 721 C LYS 46 16.540 -32.075 30.001 1.00 51.10 ATOM 722 O LYS 46 16.250 -33.237 30.286 1.00 1.14 ATOM 723 N ASP 47 16.344 -31.056 30.830 1.00 13.13 ATOM 724 HN ASP 47 16.565 -30.147 30.520 1.00 37.22 ATOM 725 CA ASP 47 15.762 -31.248 32.154 1.00 63.22 ATOM 726 HA ASP 47 16.375 -31.959 32.692 1.00 62.24 ATOM 727 CB ASP 47 15.749 -29.928 32.925 1.00 5.34 ATOM 728 HB1 ASP 47 15.637 -30.137 33.979 1.00 37.22 ATOM 729 HB2 ASP 47 14.917 -29.318 32.593 1.00 21.14 ATOM 730 CG ASP 47 17.024 -29.131 32.730 1.00 4.24 ATOM 731 OD1 ASP 47 18.114 -29.685 32.984 1.00 3.40 ATOM 732 OD2 ASP 47 16.932 -27.953 32.325 1.00 41.01 ATOM 733 C ASP 47 14.346 -31.804 32.049 1.00 33.44 ATOM 734 O ASP 47 13.979 -32.735 32.765 1.00 21.41 ATOM 735 N GLY 48 13.553 -31.226 31.153 1.00 55.34 ATOM 736 HN GLY 48 13.885 -30.478 30.607 1.00 37.22 ATOM 737 CA GLY 48 12.185 -31.676 30.972 1.00 52.11 ATOM 738 HA1 GLY 48 12.111 -32.731 31.169 1.00 37.22 ATOM 739 HA2 GLY 48 11.912 -31.506 29.940 1.00 51.12 ATOM 740 C GLY 48 11.205 -30.921 31.849 1.00 63.23 ATOM 741 O GLY 48 9.999 -30.939 31.602 1.00 3.54 ATOM 742 N VAL 49 11.724 -30.257 32.877 1.00 31.30 ATOM 743 HN VAL 49 12.684 -30.240 33.006 1.00 37.22 ATOM 744 CA VAL 49 10.887 -29.493 33.794 1.00 33.43 ATOM 745 HA VAL 49 10.267 -30.193 34.340 1.00 25.53 ATOM 746 CB VAL 49 11.738 -28.703 34.806 1.00 64.34 ATOM 747 HB VAL 49 12.348 -27.993 34.264 1.00 64.32 ATOM 748 CG1 VAL 49 10.847 -27.929 35.765 1.00 61.13 ATOM 749 HG11 VAL 49 10.123 -28.596 36.213 1.00 35.31 ATOM 750 HG12 VAL 49 10.333 -27.141 35.237 1.00 23.52 ATOM 751 HG13 VAL 49 11.451 -27.486 36.546 1.00 4.13 ATOM 752 CG2 VAL 49 12.667 -29.639 35.565 1.00 1.51 ATOM 753 HG21 VAL 49 13.375 -30.085 34.886 1.00 31.34 ATOM 754 HG22 VAL 49 12.088 -30.413 36.035 1.00 63.01 ATOM 755 HG23 VAL 49 13.205 -29.084 36.323 1.00 64.13 ATOM 756 C VAL 49 9.986 -28.524 33.038 1.00 52.31 ATOM 757 O VAL 49 8.891 -28.193 33.493 1.00 32.01 ATOM 758 N VAL 50 10.454 -28.071 31.879 1.00 12.11 ATOM 759 HN VAL 50 11.354 -28.326 31.575 1.00 37.22 ATOM 760 CA VAL 50 9.690 -27.140 31.057 1.00 12.24 ATOM 761 HA VAL 50 9.155 -26.459 31.712 1.00 64.01 ATOM 762 CB VAL 50 10.613 -26.305 30.150 1.00 14.51 ATOM 763 HB VAL 50 11.153 -26.977 29.497 1.00 30.44 ATOM 764 CG1 VAL 50 9.796 -25.356 29.286 1.00 72.23 ATOM 765 HG11 VAL 50 10.467 -24.781 28.667 1.00 5.53 ATOM 766 HG12 VAL 50 9.225 -24.687 29.913 1.00 2.13 ATOM 767 HG13 VAL 50 9.126 -25.910 28.647 1.00 15.41 ATOM 768 CG2 VAL 50 11.628 -25.538 30.984 1.00 33.04 ATOM 769 HG21 VAL 50 12.164 -26.219 31.632 1.00 13.44 ATOM 770 HG22 VAL 50 11.124 -24.795 31.586 1.00 25.34 ATOM 771 HG23 VAL 50 12.330 -25.055 30.330 1.00 60.03 ATOM 772 C VAL 50 8.675 -27.877 30.191 1.00 53.30 ATOM 773 O VAL 50 7.578 -27.376 29.938 1.00 31.15 ATOM 774 N LEU 51 9.047 -29.069 29.738 1.00 13.21 ATOM 775 HN LEU 51 9.947 -29.409 29.944 1.00 37.22 ATOM 776 CA LEU 51 8.168 -29.877 28.899 1.00 2.23 ATOM 777 HA LEU 51 8.005 -29.337 27.978 1.00 34.20 ATOM 778 CB LEU 51 8.819 -31.228 28.598 1.00 43.34 ATOM 779 HB1 LEU 51 8.053 -31.958 28.487 1.00 37.22 ATOM 780 HB2 LEU 51 9.420 -31.511 29.445 1.00 72.43 ATOM 781 CG LEU 51 9.704 -31.283 27.351 1.00 35.24 ATOM 782 HG LEU 51 10.475 -30.531 27.432 1.00 73.53 ATOM 783 CD1 LEU 51 10.382 -32.640 27.238 1.00 54.20 ATOM 784 HD11 LEU 51 9.634 -33.416 27.148 1.00 70.43 ATOM 785 HD12 LEU 51 10.981 -32.820 28.120 1.00 13.43 ATOM 786 HD13 LEU 51 11.021 -32.655 26.366 1.00 74.13 ATOM 787 CD2 LEU 51 8.885 -30.988 26.103 1.00 32.10 ATOM 788 HD21 LEU 51 9.062 -29.966 25.803 1.00 23.14 ATOM 789 HD22 LEU 51 7.849 -31.111 26.310 1.00 42.30 ATOM 790 HD23 LEU 51 9.168 -31.645 25.291 1.00 1.32 ATOM 791 C LEU 51 6.817 -30.090 29.573 1.00 34.13 ATOM 792 O LEU 51 5.774 -29.737 29.021 1.00 11.12 ATOM 793 N CYS 52 6.842 -30.667 30.769 1.00 25.53 ATOM 794 HN CYS 52 7.711 -30.931 31.158 1.00 37.22 ATOM 795 CA CYS 52 5.619 -30.927 31.520 1.00 51.51 ATOM 796 HA CYS 52 5.047 -31.666 30.976 1.00 70.23 ATOM 797 CB CYS 52 5.954 -31.458 32.914 1.00 1.33 ATOM 798 HB1 CYS 52 5.187 -31.159 33.620 1.00 37.22 ATOM 799 HB2 CYS 52 6.900 -31.046 33.231 1.00 44.51 ATOM 800 SG CYS 52 6.088 -33.259 33.006 1.00 55.51 ATOM 801 HG CYS 52 6.368 -33.711 31.792 1.00 25.21 ATOM 802 C CYS 52 4.773 -29.663 31.634 1.00 50.53 ATOM 803 O CYS 52 3.581 -29.672 31.327 1.00 52.23 ATOM 804 N ARG 53 5.397 -28.577 32.078 1.00 5.13 ATOM 805 HN ARG 53 6.355 -28.633 32.312 1.00 37.22 ATOM 806 CA ARG 53 4.701 -27.306 32.236 1.00 43.44 ATOM 807 HA ARG 53 3.963 -27.424 33.017 1.00 52.40 ATOM 808 CB ARG 53 5.687 -26.207 32.638 1.00 14.31 ATOM 809 HB1 ARG 53 5.194 -25.243 32.574 1.00 37.22 ATOM 810 HB2 ARG 53 6.518 -26.222 31.946 1.00 54.12 ATOM 811 CG ARG 53 6.230 -26.363 34.049 1.00 11.30 ATOM 812 HG1 ARG 53 6.675 -27.342 34.148 1.00 37.22 ATOM 813 HG2 ARG 53 5.416 -26.268 34.749 1.00 41.33 ATOM 814 CD ARG 53 7.283 -25.311 34.360 1.00 42.11 ATOM 815 HD1 ARG 53 6.868 -24.325 34.191 1.00 37.22 ATOM 816 HD2 ARG 53 8.122 -25.460 33.694 1.00 71.13 ATOM 817 NE ARG 53 7.762 -25.406 35.736 1.00 13.44 ATOM 818 HE ARG 53 8.659 -25.782 35.876 1.00 61.14 ATOM 819 CZ ARG 53 7.053 -25.013 36.789 1.00 5.24 ATOM 820 NH1 ARG 53 5.841 -24.502 36.624 1.00 42.01 ATOM 821 HH11 ARG 53 5.434 -24.393 35.723 1.00 75.54 ATOM 822 HH12 ARG 53 5.315 -24.216 37.428 1.00 65.14 ATOM 823 NH2 ARG 53 7.557 -25.131 38.011 1.00 25.31 ATOM 824 HH21 ARG 53 8.473 -25.516 38.143 1.00 71.23 ATOM 825 HH22 ARG 53 7.024 -24.835 38.807 1.00 71.43 ATOM 826 C ARG 53 3.986 -26.914 30.946 1.00 34.50 ATOM 827 O ARG 53 2.837 -26.471 30.971 1.00 53.21 ATOM 828 N LEU 54 4.672 -27.081 29.821 1.00 73.31 ATOM 829 HN LEU 54 5.594 -27.431 29.862 1.00 37.22 ATOM 830 CA LEU 54 4.102 -26.745 28.520 1.00 22.55 ATOM 831 HA LEU 54 3.831 -25.699 28.530 1.00 60.44 ATOM 832 CB LEU 54 5.134 -26.975 27.415 1.00 4.31 ATOM 833 HB1 LEU 54 5.630 -27.911 27.611 1.00 37.22 ATOM 834 HB2 LEU 54 5.872 -26.186 27.477 1.00 73.54 ATOM 835 CG LEU 54 4.590 -27.016 25.987 1.00 43.44 ATOM 836 HG LEU 54 3.802 -27.748 25.916 1.00 21.55 ATOM 837 CD1 LEU 54 4.010 -25.665 25.597 1.00 2.35 ATOM 838 HD11 LEU 54 3.403 -25.267 26.398 1.00 43.14 ATOM 839 HD12 LEU 54 3.392 -25.789 24.732 1.00 43.41 ATOM 840 HD13 LEU 54 4.809 -24.971 25.374 1.00 4.01 ATOM 841 CD2 LEU 54 5.683 -27.430 25.012 1.00 54.05 ATOM 842 HD21 LEU 54 5.277 -27.515 24.026 1.00 4.31 ATOM 843 HD22 LEU 54 6.086 -28.389 25.308 1.00 5.22 ATOM 844 HD23 LEU 54 6.469 -26.703 25.017 1.00 13.54 ATOM 845 C LEU 54 2.851 -27.573 28.244 1.00 64.44 ATOM 846 O LEU 54 1.903 -27.095 27.620 1.00 71.44 ATOM 847 N LEU 55 2.855 -28.816 28.713 1.00 60.10 ATOM 848 HN LEU 55 3.645 -29.154 29.192 1.00 37.22 ATOM 849 CA LEU 55 1.719 -29.711 28.518 1.00 4.22 ATOM 850 HA LEU 55 1.381 -29.600 27.497 1.00 24.12 ATOM 851 CB LEU 55 2.143 -31.162 28.750 1.00 71.31 ATOM 852 HB1 LEU 55 2.468 -31.262 29.777 1.00 37.22 ATOM 853 HB2 LEU 55 2.991 -31.360 28.107 1.00 52.41 ATOM 854 CG LEU 55 1.077 -32.224 28.479 1.00 74.15 ATOM 855 HG LEU 55 0.279 -32.115 29.200 1.00 41.03 ATOM 856 CD1 LEU 55 0.482 -32.041 27.091 1.00 64.34 ATOM 857 HD11 LEU 55 -0.111 -31.139 27.069 1.00 22.35 ATOM 858 HD12 LEU 55 -0.151 -32.885 26.851 1.00 14.45 ATOM 859 HD13 LEU 55 1.272 -31.968 26.359 1.00 54.42 ATOM 860 CD2 LEU 55 1.663 -33.620 28.630 1.00 63.02 ATOM 861 HD21 LEU 55 2.713 -33.568 28.891 1.00 30.11 ATOM 862 HD22 LEU 55 1.561 -34.179 27.708 1.00 15.20 ATOM 863 HD23 LEU 55 1.134 -34.139 29.415 1.00 45.15 ATOM 864 C LEU 55 0.573 -29.348 29.456 1.00 11.35 ATOM 865 O LEU 55 -0.596 -29.550 29.130 1.00 51.32 ATOM 866 N GLU 56 0.917 -28.809 30.622 1.00 32.12 ATOM 867 HN GLU 56 1.868 -28.677 30.838 1.00 37.22 ATOM 868 CA GLU 56 -0.085 -28.417 31.607 1.00 43.43 ATOM 869 HA GLU 56 -0.854 -29.182 31.635 1.00 53.13 ATOM 870 CB GLU 56 0.552 -28.289 32.992 1.00 44.20 ATOM 871 HB1 GLU 56 0.076 -27.474 33.530 1.00 37.22 ATOM 872 HB2 GLU 56 1.603 -28.059 32.885 1.00 4.00 ATOM 873 CG GLU 56 0.429 -29.545 33.837 1.00 32.51 ATOM 874 HG1 GLU 56 1.210 -30.234 33.548 1.00 37.22 ATOM 875 HG2 GLU 56 -0.536 -30.003 33.662 1.00 60.44 ATOM 876 CD GLU 56 0.554 -29.265 35.322 1.00 51.41 ATOM 877 OE1 GLU 56 -0.368 -28.640 35.888 1.00 64.50 ATOM 878 OE2 GLU 56 1.574 -29.670 35.918 1.00 41.32 ATOM 879 C GLU 56 -0.745 -27.098 31.215 1.00 52.11 ATOM 880 O GLU 56 -1.886 -26.827 31.590 1.00 21.25 ATOM 881 N ARG 57 -0.019 -26.281 30.458 1.00 34.32 ATOM 882 HN ARG 57 0.895 -26.538 30.197 1.00 37.22 ATOM 883 CA ARG 57 -0.533 -24.990 30.017 1.00 72.33 ATOM 884 HA ARG 57 -0.884 -24.458 30.889 1.00 50.00 ATOM 885 CB ARG 57 0.570 -24.188 29.324 1.00 71.43 ATOM 886 HB1 ARG 57 0.134 -23.533 28.577 1.00 37.22 ATOM 887 HB2 ARG 57 1.246 -24.869 28.827 1.00 55.30 ATOM 888 CG ARG 57 1.386 -23.327 30.274 1.00 34.21 ATOM 889 HG1 ARG 57 2.161 -22.849 29.704 1.00 37.22 ATOM 890 HG2 ARG 57 1.823 -23.951 31.039 1.00 71.43 ATOM 891 CD ARG 57 0.529 -22.255 30.929 1.00 53.02 ATOM 892 HD1 ARG 57 -0.009 -22.695 31.756 1.00 37.22 ATOM 893 HD2 ARG 57 -0.177 -21.883 30.196 1.00 23.42 ATOM 894 NE ARG 57 1.332 -21.142 31.428 1.00 14.11 ATOM 895 HE ARG 57 2.297 -21.293 31.564 1.00 5.42 ATOM 896 CZ ARG 57 0.831 -19.945 31.713 1.00 4.23 ATOM 897 NH1 ARG 57 -0.463 -19.707 31.550 1.00 63.32 ATOM 898 HH11 ARG 57 -1.087 -20.409 31.218 1.00 51.13 ATOM 899 HH12 ARG 57 -0.828 -18.799 31.765 1.00 71.35 ATOM 900 NH2 ARG 57 1.626 -18.982 32.164 1.00 62.54 ATOM 901 HH21 ARG 57 2.605 -19.155 32.291 1.00 3.13 ATOM 902 HH22 ARG 57 1.251 -18.078 32.380 1.00 60.02 ATOM 903 C ARG 57 -1.717 -25.171 29.071 1.00 44.15 ATOM 904 O ARG 57 -2.776 -24.573 29.263 1.00 33.44 ATOM 905 N LEU 58 -1.529 -25.998 28.048 1.00 43.52 ATOM 906 HN LEU 58 -0.672 -26.480 27.970 1.00 37.22 ATOM 907 CA LEU 58 -2.580 -26.257 27.070 1.00 12.15 ATOM 908 HA LEU 58 -3.177 -25.360 26.954 1.00 3.42 ATOM 909 CB LEU 58 -1.967 -26.608 25.714 1.00 54.45 ATOM 910 HB1 LEU 58 -2.727 -26.476 24.956 1.00 37.22 ATOM 911 HB2 LEU 58 -1.688 -27.658 25.732 1.00 22.43 ATOM 912 CG LEU 58 -0.732 -25.804 25.307 1.00 5.14 ATOM 913 HG LEU 58 -0.004 -25.824 26.101 1.00 42.00 ATOM 914 CD1 LEU 58 -0.075 -26.418 24.081 1.00 63.01 ATOM 915 HD11 LEU 58 0.947 -26.084 24.033 1.00 30.32 ATOM 916 HD12 LEU 58 -0.592 -26.106 23.186 1.00 43.54 ATOM 917 HD13 LEU 58 -0.090 -27.499 24.148 1.00 44.32 ATOM 918 CD2 LEU 58 -1.102 -24.351 25.045 1.00 34.51 ATOM 919 HD21 LEU 58 -0.222 -23.797 24.748 1.00 72.11 ATOM 920 HD22 LEU 58 -1.510 -23.914 25.946 1.00 42.12 ATOM 921 HD23 LEU 58 -1.840 -24.304 24.258 1.00 22.03 ATOM 922 C LEU 58 -3.491 -27.388 27.538 1.00 62.04 ATOM 923 O LEU 58 -4.713 -27.310 27.406 1.00 60.32 ATOM 924 N LEU 59 -2.888 -28.437 28.086 1.00 72.55 ATOM 925 HN LEU 59 -1.907 -28.456 28.166 1.00 37.22 ATOM 926 CA LEU 59 -3.645 -29.585 28.575 1.00 3.31 ATOM 927 HA LEU 59 -4.689 -29.463 28.330 1.00 2.44 ATOM 928 CB LEU 59 -3.154 -30.868 27.904 1.00 63.53 ATOM 929 HB1 LEU 59 -3.714 -31.700 28.317 1.00 37.22 ATOM 930 HB2 LEU 59 -2.114 -31.007 28.156 1.00 34.22 ATOM 931 CG LEU 59 -3.285 -30.922 26.381 1.00 23.12 ATOM 932 HG LEU 59 -2.728 -30.103 25.949 1.00 31.52 ATOM 933 CD1 LEU 59 -2.705 -32.220 25.841 1.00 45.11 ATOM 934 HD11 LEU 59 -2.764 -33.005 26.586 1.00 31.43 ATOM 935 HD12 LEU 59 -1.679 -32.059 25.570 1.00 54.43 ATOM 936 HD13 LEU 59 -3.247 -32.533 24.956 1.00 2.44 ATOM 937 CD2 LEU 59 -4.741 -30.773 25.966 1.00 40.04 ATOM 938 HD21 LEU 59 -5.336 -31.545 26.434 1.00 14.52 ATOM 939 HD22 LEU 59 -4.823 -30.862 24.891 1.00 13.23 ATOM 940 HD23 LEU 59 -5.109 -29.804 26.265 1.00 72.41 ATOM 941 C LEU 59 -3.523 -29.711 30.090 1.00 3.03 ATOM 942 O LEU 59 -2.836 -30.590 30.611 1.00 35.53 ATOM 943 N PRO 60 -4.205 -28.813 30.816 1.00 34.11 ATOM 944 CA PRO 60 -4.192 -28.805 32.282 1.00 44.11 ATOM 945 HA PRO 60 -3.180 -28.774 32.665 1.00 14.31 ATOM 946 CB PRO 60 -4.906 -27.498 32.636 1.00 25.11 ATOM 947 HB1 PRO 60 -4.173 -26.717 32.769 1.00 37.22 ATOM 948 HB2 PRO 60 -5.484 -27.607 33.546 1.00 64.54 ATOM 949 CG PRO 60 -5.780 -27.215 31.464 1.00 13.40 ATOM 950 HG1 PRO 60 -5.939 -26.151 31.373 1.00 37.22 ATOM 951 HG2 PRO 60 -6.724 -27.728 31.578 1.00 43.54 ATOM 952 CD PRO 60 -5.044 -27.737 30.262 1.00 42.14 ATOM 953 HD1 PRO 60 -4.439 -26.951 29.849 1.00 37.22 ATOM 954 HD2 PRO 60 -5.743 -28.112 29.531 1.00 71.41 ATOM 955 C PRO 60 -4.936 -29.996 32.875 1.00 21.22 ATOM 956 O PRO 60 -6.135 -30.164 32.655 1.00 65.11 ATOM 957 N GLY 61 -4.217 -30.822 33.630 1.00 43.40 ATOM 958 HN GLY 61 -3.267 -30.631 33.801 1.00 37.22 ATOM 959 CA GLY 61 -4.826 -31.987 34.244 1.00 54.24 ATOM 960 HA1 GLY 61 -5.905 -31.948 34.159 1.00 37.22 ATOM 961 HA2 GLY 61 -4.569 -31.990 35.293 1.00 5.42 ATOM 962 C GLY 61 -4.339 -33.286 33.633 1.00 40.32 ATOM 963 O GLY 61 -4.984 -34.326 33.769 1.00 51.12 ATOM 964 N THR 62 -3.197 -33.227 32.955 1.00 24.33 ATOM 965 HN THR 62 -2.719 -32.379 32.861 1.00 37.22 ATOM 966 CA THR 62 -2.624 -34.407 32.319 1.00 54.14 ATOM 967 HA THR 62 -3.351 -35.213 32.353 1.00 72.41 ATOM 968 CB THR 62 -2.275 -34.135 30.843 1.00 32.22 ATOM 969 HB THR 62 -1.270 -33.734 30.775 1.00 64.45 ATOM 970 OG1 THR 62 -3.181 -33.171 30.295 1.00 61.22 ATOM 971 HG1 THR 62 -4.094 -33.486 30.345 1.00 1.22 ATOM 972 CG2 THR 62 -2.337 -35.418 30.028 1.00 42.25 ATOM 973 HG21 THR 62 -2.089 -35.201 28.999 1.00 73.03 ATOM 974 HG22 THR 62 -3.335 -35.831 30.077 1.00 15.52 ATOM 975 HG23 THR 62 -1.631 -36.134 30.424 1.00 33.33 ATOM 976 C THR 62 -1.370 -34.872 33.049 1.00 44.32 ATOM 977 O THR 62 -1.048 -36.060 33.054 1.00 64.21 ATOM 978 N ILE 63 -0.665 -33.928 33.665 1.00 74.13 ATOM 979 HN ILE 63 -0.951 -32.991 33.628 1.00 37.22 ATOM 980 CA ILE 63 0.553 -34.242 34.400 1.00 64.53 ATOM 981 HA ILE 63 0.977 -35.157 33.996 1.00 42.34 ATOM 982 CB ILE 63 1.606 -33.129 34.246 1.00 23.03 ATOM 983 HB ILE 63 1.211 -32.220 34.678 1.00 14.13 ATOM 984 CG1 ILE 63 1.908 -32.883 32.767 1.00 42.14 ATOM 985 HG11 ILE 63 2.588 -32.047 32.682 1.00 37.22 ATOM 986 HG12 ILE 63 0.995 -32.644 32.242 1.00 53.31 ATOM 987 CG2 ILE 63 2.877 -33.495 34.998 1.00 4.21 ATOM 988 HG21 ILE 63 2.704 -33.425 36.061 1.00 65.43 ATOM 989 HG22 ILE 63 3.672 -32.811 34.730 1.00 5.34 ATOM 990 HG23 ILE 63 3.178 -34.504 34.751 1.00 62.33 ATOM 991 CD1 ILE 63 2.548 -34.067 32.075 1.00 10.44 ATOM 992 HD11 ILE 63 2.838 -33.777 31.079 1.00 71.40 ATOM 993 HD12 ILE 63 1.838 -34.877 32.016 1.00 43.04 ATOM 994 HD13 ILE 63 3.420 -34.396 32.612 1.00 50.34 ATOM 995 C ILE 63 0.263 -34.451 35.882 1.00 21.40 ATOM 996 O ILE 63 0.006 -33.497 36.614 1.00 0.53 ATOM 997 N GLU 64 0.308 -35.707 36.317 1.00 11.21 ATOM 998 HN GLU 64 0.526 -36.432 35.683 1.00 37.22 ATOM 999 CA GLU 64 0.050 -36.040 37.713 1.00 24.31 ATOM 1000 HA GLU 64 -0.884 -35.577 38.007 1.00 31.03 ATOM 1001 CB GLU 64 -0.080 -37.555 37.883 1.00 72.42 ATOM 1002 HB1 GLU 64 0.834 -38.026 37.549 1.00 37.22 ATOM 1003 HB2 GLU 64 -0.897 -37.898 37.262 1.00 44.10 ATOM 1004 CG GLU 64 -0.345 -37.987 39.315 1.00 15.34 ATOM 1005 HG1 GLU 64 -1.147 -37.387 39.723 1.00 37.22 ATOM 1006 HG2 GLU 64 0.550 -37.833 39.898 1.00 42.01 ATOM 1007 CD GLU 64 -0.736 -39.448 39.422 1.00 61.12 ATOM 1008 OE1 GLU 64 0.168 -40.308 39.373 1.00 65.21 ATOM 1009 OE2 GLU 64 -1.945 -39.732 39.554 1.00 43.23 ATOM 1010 C GLU 64 1.163 -35.511 38.613 1.00 0.32 ATOM 1011 O GLU 64 0.903 -34.850 39.619 1.00 54.44 ATOM 1012 N LYS 65 2.405 -35.806 38.245 1.00 70.51 ATOM 1013 HN LYS 65 2.555 -36.354 37.438 1.00 37.22 ATOM 1014 CA LYS 65 3.559 -35.361 39.017 1.00 40.13 ATOM 1015 HA LYS 65 3.289 -34.463 39.563 1.00 64.02 ATOM 1016 CB LYS 65 3.976 -36.440 40.019 1.00 51.13 ATOM 1017 HB1 LYS 65 4.312 -37.316 39.480 1.00 37.22 ATOM 1018 HB2 LYS 65 3.108 -36.706 40.608 1.00 23.23 ATOM 1019 CG LYS 65 5.085 -36.001 40.959 1.00 11.20 ATOM 1020 HG1 LYS 65 4.855 -35.016 41.346 1.00 37.22 ATOM 1021 HG2 LYS 65 6.007 -35.960 40.397 1.00 41.42 ATOM 1022 CD LYS 65 5.239 -36.962 42.126 1.00 45.30 ATOM 1023 HD1 LYS 65 5.021 -37.972 41.797 1.00 37.22 ATOM 1024 HD2 LYS 65 4.544 -36.680 42.903 1.00 15.23 ATOM 1025 CE LYS 65 6.649 -36.925 42.695 1.00 5.12 ATOM 1026 HE1 LYS 65 6.668 -36.221 43.514 1.00 37.22 ATOM 1027 HE2 LYS 65 7.345 -36.603 41.937 1.00 64.40 ATOM 1028 NZ LYS 65 7.077 -38.257 43.205 1.00 71.33 ATOM 1029 HZ1 LYS 65 6.439 -38.577 43.963 1.00 51.42 ATOM 1030 HZ2 LYS 65 8.042 -38.197 43.587 1.00 13.10 ATOM 1031 HZ3 LYS 65 7.066 -38.960 42.436 1.00 62.02 ATOM 1032 C LYS 65 4.730 -35.025 38.099 1.00 2.41 ATOM 1033 O LYS 65 4.818 -35.527 36.979 1.00 63.32 ATOM 1034 N VAL 66 5.629 -34.172 38.582 1.00 72.30 ATOM 1035 HN VAL 66 5.493 -33.773 39.473 1.00 37.22 ATOM 1036 CA VAL 66 6.796 -33.771 37.806 1.00 22.21 ATOM 1037 HA VAL 66 7.014 -34.550 37.081 1.00 1.23 ATOM 1038 CB VAL 66 6.542 -32.454 37.049 1.00 13.04 ATOM 1039 HB VAL 66 5.554 -32.495 36.613 1.00 71.34 ATOM 1040 CG1 VAL 66 6.590 -31.271 38.005 1.00 74.32 ATOM 1041 HG11 VAL 66 7.608 -30.939 38.137 1.00 24.32 ATOM 1042 HG12 VAL 66 6.173 -31.545 38.966 1.00 74.33 ATOM 1043 HG13 VAL 66 6.009 -30.461 37.589 1.00 64.22 ATOM 1044 CG2 VAL 66 7.551 -32.283 35.925 1.00 44.54 ATOM 1045 HG21 VAL 66 7.675 -33.212 35.390 1.00 62.24 ATOM 1046 HG22 VAL 66 8.506 -31.972 36.325 1.00 2.44 ATOM 1047 HG23 VAL 66 7.197 -31.527 35.255 1.00 14.44 ATOM 1048 C VAL 66 8.019 -33.602 38.701 1.00 61.53 ATOM 1049 O VAL 66 7.896 -33.449 39.916 1.00 12.11 ATOM 1050 N TYR 67 9.199 -33.632 38.092 1.00 42.45 ATOM 1051 HN TYR 67 9.250 -33.803 37.126 1.00 37.22 ATOM 1052 CA TYR 67 10.446 -33.484 38.833 1.00 51.20 ATOM 1053 HA TYR 67 10.246 -33.523 39.890 1.00 40.12 ATOM 1054 CB TYR 67 11.400 -34.632 38.501 1.00 22.33 ATOM 1055 HB1 TYR 67 12.317 -34.503 39.062 1.00 37.22 ATOM 1056 HB2 TYR 67 11.631 -34.610 37.447 1.00 4.41 ATOM 1057 CG TYR 67 10.847 -35.997 38.844 1.00 23.13 ATOM 1058 CD1 TYR 67 11.124 -37.101 38.047 1.00 31.03 ATOM 1059 HD1 TYR 67 11.739 -36.975 37.178 1.00 34.34 ATOM 1060 CD2 TYR 67 10.049 -36.183 39.966 1.00 10.24 ATOM 1061 HD2 TYR 67 9.821 -35.350 40.610 1.00 0.15 ATOM 1062 CE1 TYR 67 10.620 -38.350 38.357 1.00 42.54 ATOM 1063 HE1 TYR 67 10.848 -39.197 37.737 1.00 20.43 ATOM 1064 CE2 TYR 67 9.542 -37.428 40.284 1.00 21.12 ATOM 1065 HE2 TYR 67 8.931 -37.556 41.159 1.00 41.25 ATOM 1066 CZ TYR 67 9.830 -38.508 39.476 1.00 21.10 ATOM 1067 OH TYR 67 9.328 -39.750 39.788 1.00 34.53 ATOM 1068 HH TYR 67 10.032 -40.311 40.129 1.00 41.23 ATOM 1069 C TYR 67 11.112 -32.148 38.519 1.00 54.45 ATOM 1070 O TYR 67 12.015 -32.055 37.688 1.00 64.25 ATOM 1071 N PRO 68 10.655 -31.086 39.199 1.00 3.32 ATOM 1072 CA PRO 68 11.192 -29.735 39.012 1.00 43.34 ATOM 1073 HA PRO 68 11.175 -29.445 37.976 1.00 34.22 ATOM 1074 CB PRO 68 10.227 -28.855 39.810 1.00 72.21 ATOM 1075 HB1 PRO 68 9.456 -28.484 39.152 1.00 37.22 ATOM 1076 HB2 PRO 68 10.749 -28.019 40.260 1.00 62.21 ATOM 1077 CG PRO 68 9.654 -29.763 40.843 1.00 53.20 ATOM 1078 HG1 PRO 68 8.667 -29.426 41.122 1.00 37.22 ATOM 1079 HG2 PRO 68 10.300 -29.789 41.708 1.00 51.42 ATOM 1080 CD PRO 68 9.580 -31.122 40.205 1.00 63.40 ATOM 1081 HD1 PRO 68 8.628 -31.247 39.753 1.00 37.22 ATOM 1082 HD2 PRO 68 9.756 -31.884 40.947 1.00 3.31 ATOM 1083 C PRO 68 12.611 -29.595 39.552 1.00 3.40 ATOM 1084 O PRO 68 13.344 -28.685 39.167 1.00 44.35 ATOM 1085 N GLU 69 12.991 -30.502 40.446 1.00 24.02 ATOM 1086 HN GLU 69 12.363 -31.194 40.750 1.00 37.22 ATOM 1087 CA GLU 69 14.323 -30.478 41.039 1.00 4.11 ATOM 1088 HA GLU 69 14.961 -29.816 40.468 1.00 13.04 ATOM 1089 CB GLU 69 14.259 -29.942 42.471 1.00 51.22 ATOM 1090 HB1 GLU 69 14.087 -28.876 42.429 1.00 37.22 ATOM 1091 HB2 GLU 69 15.209 -30.120 42.964 1.00 11.20 ATOM 1092 CG GLU 69 13.150 -30.563 43.304 1.00 43.21 ATOM 1093 HG1 GLU 69 13.195 -31.638 43.220 1.00 37.22 ATOM 1094 HG2 GLU 69 12.200 -30.217 42.926 1.00 64.32 ATOM 1095 CD GLU 69 13.245 -30.192 44.771 1.00 4.21 ATOM 1096 OE1 GLU 69 12.684 -30.929 45.608 1.00 70.32 ATOM 1097 OE2 GLU 69 13.882 -29.163 45.082 1.00 22.42 ATOM 1098 C GLU 69 14.947 -31.871 41.033 1.00 12.35 ATOM 1099 O GLU 69 15.083 -32.522 42.070 1.00 55.25 ATOM 1100 N PRO 70 15.335 -32.340 39.838 1.00 12.03 ATOM 1101 CA PRO 70 15.950 -33.660 39.668 1.00 50.42 ATOM 1102 HA PRO 70 15.334 -34.438 40.099 1.00 43.03 ATOM 1103 CB PRO 70 16.001 -33.833 38.148 1.00 62.22 ATOM 1104 HB1 PRO 70 15.120 -34.364 37.820 1.00 37.22 ATOM 1105 HB2 PRO 70 16.879 -34.388 37.867 1.00 33.10 ATOM 1106 CG PRO 70 16.021 -32.445 37.608 1.00 5.33 ATOM 1107 HG1 PRO 70 15.579 -32.427 36.623 1.00 37.22 ATOM 1108 HG2 PRO 70 17.037 -32.080 37.571 1.00 14.14 ATOM 1109 CD PRO 70 15.203 -31.618 38.562 1.00 64.14 ATOM 1110 HD1 PRO 70 14.181 -31.576 38.245 1.00 37.22 ATOM 1111 HD2 PRO 70 15.617 -30.624 38.632 1.00 33.23 ATOM 1112 C PRO 70 17.354 -33.725 40.259 1.00 30.40 ATOM 1113 O PRO 70 18.114 -32.760 40.187 1.00 41.35 ATOM 1114 N ARG 71 17.692 -34.870 40.843 1.00 32.25 ATOM 1115 HN ARG 71 17.033 -35.598 40.900 1.00 37.22 ATOM 1116 CA ARG 71 19.005 -35.061 41.448 1.00 72.11 ATOM 1117 HA ARG 71 19.579 -34.151 41.363 1.00 61.40 ATOM 1118 CB ARG 71 18.861 -35.421 42.928 1.00 60.53 ATOM 1119 HB1 ARG 71 19.842 -35.613 43.346 1.00 37.22 ATOM 1120 HB2 ARG 71 18.264 -36.318 43.012 1.00 41.24 ATOM 1121 CG ARG 71 18.198 -34.334 43.758 1.00 63.23 ATOM 1122 HG1 ARG 71 18.144 -34.662 44.786 1.00 37.22 ATOM 1123 HG2 ARG 71 17.201 -34.163 43.380 1.00 53.13 ATOM 1124 CD ARG 71 18.980 -33.031 43.695 1.00 73.13 ATOM 1125 HD1 ARG 71 18.945 -32.648 42.686 1.00 37.22 ATOM 1126 HD2 ARG 71 20.008 -33.221 43.974 1.00 71.12 ATOM 1127 NE ARG 71 18.429 -32.019 44.592 1.00 52.34 ATOM 1128 HE ARG 71 17.627 -32.253 45.116 1.00 31.34 ATOM 1129 CZ ARG 71 18.949 -30.805 44.738 1.00 23.55 ATOM 1130 NH1 ARG 71 20.028 -30.455 44.051 1.00 75.41 ATOM 1131 HH11 ARG 71 20.468 -31.089 43.416 1.00 51.33 ATOM 1132 HH12 ARG 71 20.414 -29.537 44.167 1.00 12.34 ATOM 1133 NH2 ARG 71 18.391 -29.939 45.574 1.00 32.32 ATOM 1134 HH21 ARG 71 17.576 -30.197 46.097 1.00 12.51 ATOM 1135 HH22 ARG 71 18.782 -29.023 45.686 1.00 3.32 ATOM 1136 C ARG 71 19.784 -36.153 40.721 1.00 44.01 ATOM 1137 O ARG 71 21.014 -36.181 40.758 1.00 45.43 ATOM 1138 N SER 72 19.060 -37.051 40.061 1.00 32.02 ATOM 1139 HN SER 72 18.084 -37.009 40.066 1.00 37.22 ATOM 1140 CA SER 72 19.683 -38.148 39.329 1.00 11.43 ATOM 1141 HA SER 72 20.760 -38.073 39.413 1.00 43.52 ATOM 1142 CB SER 72 19.249 -39.492 39.916 1.00 73.10 ATOM 1143 HB1 SER 72 19.645 -40.305 39.325 1.00 37.22 ATOM 1144 HB2 SER 72 18.171 -39.548 39.922 1.00 30.43 ATOM 1145 OG SER 72 19.718 -39.644 41.244 1.00 23.43 ATOM 1146 HG SER 72 19.144 -39.165 41.847 1.00 62.32 ATOM 1147 C SER 72 19.323 -38.086 37.848 1.00 34.01 ATOM 1148 O SER 72 18.620 -37.177 37.407 1.00 20.21 ATOM 1149 N GLU 73 19.810 -39.060 37.086 1.00 72.20 ATOM 1150 HN GLU 73 20.383 -39.755 37.486 1.00 37.22 ATOM 1151 CA GLU 73 19.540 -39.116 35.654 1.00 21.51 ATOM 1152 HA GLU 73 19.569 -38.108 35.258 1.00 11.53 ATOM 1153 CB GLU 73 20.610 -39.948 34.943 1.00 33.33 ATOM 1154 HB1 GLU 73 20.678 -40.912 35.429 1.00 37.22 ATOM 1155 HB2 GLU 73 21.560 -39.440 35.047 1.00 0.52 ATOM 1156 CG GLU 73 20.341 -40.147 33.461 1.00 34.52 ATOM 1157 HG1 GLU 73 21.238 -39.883 32.919 1.00 37.22 ATOM 1158 HG2 GLU 73 19.535 -39.506 33.130 1.00 44.14 ATOM 1159 CD GLU 73 19.992 -41.583 33.119 1.00 32.03 ATOM 1160 OE1 GLU 73 20.850 -42.279 32.537 1.00 50.22 ATOM 1161 OE2 GLU 73 18.862 -42.011 33.434 1.00 55.54 ATOM 1162 C GLU 73 18.159 -39.706 35.383 1.00 13.34 ATOM 1163 O GLU 73 17.438 -39.245 34.498 1.00 63.32 ATOM 1164 N SER 74 17.797 -40.728 36.153 1.00 53.45 ATOM 1165 HN SER 74 18.421 -41.067 36.838 1.00 37.22 ATOM 1166 CA SER 74 16.504 -41.384 35.994 1.00 40.54 ATOM 1167 HA SER 74 16.479 -41.842 35.015 1.00 74.21 ATOM 1168 CB SER 74 16.327 -42.472 37.054 1.00 70.10 ATOM 1169 HB1 SER 74 15.309 -42.842 37.036 1.00 37.22 ATOM 1170 HB2 SER 74 16.542 -42.061 38.028 1.00 45.35 ATOM 1171 OG SER 74 17.203 -43.561 36.818 1.00 34.00 ATOM 1172 HG SER 74 16.961 -44.296 37.386 1.00 4.11 ATOM 1173 C SER 74 15.366 -40.372 36.092 1.00 71.22 ATOM 1174 O SER 74 14.405 -40.428 35.325 1.00 10.34 ATOM 1175 N GLU 75 15.483 -39.449 37.041 1.00 22.13 ATOM 1176 HN GLU 75 16.274 -39.454 37.630 1.00 37.22 ATOM 1177 CA GLU 75 14.464 -38.426 37.241 1.00 51.44 ATOM 1178 HA GLU 75 13.491 -38.907 37.230 1.00 63.12 ATOM 1179 CB GLU 75 14.665 -37.730 38.588 1.00 1.53 ATOM 1180 HB1 GLU 75 14.225 -36.738 38.544 1.00 37.22 ATOM 1181 HB2 GLU 75 15.725 -37.628 38.776 1.00 64.10 ATOM 1182 CG GLU 75 14.048 -38.478 39.758 1.00 52.31 ATOM 1183 HG1 GLU 75 14.806 -39.108 40.201 1.00 37.22 ATOM 1184 HG2 GLU 75 13.231 -39.096 39.407 1.00 11.02 ATOM 1185 CD GLU 75 13.513 -37.547 40.829 1.00 55.03 ATOM 1186 OE1 GLU 75 12.306 -37.632 41.138 1.00 34.04 ATOM 1187 OE2 GLU 75 14.300 -36.734 41.356 1.00 14.15 ATOM 1188 C GLU 75 14.498 -37.397 36.114 1.00 4.42 ATOM 1189 O GLU 75 13.456 -36.947 35.638 1.00 75.14 ATOM 1190 N CYS 76 15.704 -37.028 35.695 1.00 74.25 ATOM 1191 HN CYS 76 16.506 -37.409 36.125 1.00 37.22 ATOM 1192 CA CYS 76 15.875 -36.051 34.625 1.00 23.21 ATOM 1193 HA CYS 76 15.423 -35.121 34.946 1.00 21.42 ATOM 1194 CB CYS 76 17.362 -35.828 34.344 1.00 52.02 ATOM 1195 HB1 CYS 76 17.503 -35.542 33.308 1.00 37.22 ATOM 1196 HB2 CYS 76 17.905 -36.744 34.529 1.00 11.21 ATOM 1197 SG CYS 76 18.119 -34.535 35.356 1.00 33.00 ATOM 1198 HG CYS 76 19.067 -35.095 36.093 1.00 40.24 ATOM 1199 C CYS 76 15.167 -36.507 33.353 1.00 23.04 ATOM 1200 O CYS 76 14.557 -35.703 32.647 1.00 31.15 ATOM 1201 N LEU 77 15.254 -37.801 33.066 1.00 62.02 ATOM 1202 HN LEU 77 15.759 -38.401 33.665 1.00 37.22 ATOM 1203 CA LEU 77 14.623 -38.365 31.877 1.00 2.34 ATOM 1204 HA LEU 77 14.800 -37.695 31.043 1.00 73.15 ATOM 1205 CB LEU 77 15.236 -39.727 31.548 1.00 42.11 ATOM 1206 HB1 LEU 77 14.623 -40.214 30.796 1.00 37.22 ATOM 1207 HB2 LEU 77 15.192 -40.323 32.451 1.00 1.32 ATOM 1208 CG LEU 77 16.682 -39.710 31.050 1.00 52.43 ATOM 1209 HG LEU 77 17.264 -39.037 31.665 1.00 41.22 ATOM 1210 CD1 LEU 77 17.302 -41.094 31.162 1.00 55.24 ATOM 1211 HD11 LEU 77 18.364 -41.027 30.989 1.00 21.22 ATOM 1212 HD12 LEU 77 16.859 -41.754 30.427 1.00 51.51 ATOM 1213 HD13 LEU 77 17.119 -41.492 32.146 1.00 21.11 ATOM 1214 CD2 LEU 77 16.745 -39.209 29.614 1.00 62.30 ATOM 1215 HD21 LEU 77 16.420 -38.180 29.576 1.00 64.21 ATOM 1216 HD22 LEU 77 16.104 -39.814 28.987 1.00 25.53 ATOM 1217 HD23 LEU 77 17.760 -39.279 29.256 1.00 64.20 ATOM 1218 C LEU 77 13.117 -38.506 32.076 1.00 65.43 ATOM 1219 O LEU 77 12.342 -38.383 31.128 1.00 41.42 ATOM 1220 N SER 78 12.711 -38.765 33.314 1.00 14.25 ATOM 1221 HN SER 78 13.375 -38.860 34.037 1.00 37.22 ATOM 1222 CA SER 78 11.298 -38.925 33.637 1.00 14.23 ATOM 1223 HA SER 78 10.925 -39.787 33.110 1.00 5.13 ATOM 1224 CB SER 78 11.119 -39.155 35.139 1.00 13.32 ATOM 1225 HB1 SER 78 11.024 -38.211 35.641 1.00 37.22 ATOM 1226 HB2 SER 78 11.977 -39.682 35.532 1.00 71.14 ATOM 1227 OG SER 78 9.963 -39.931 35.402 1.00 14.11 ATOM 1228 HG SER 78 9.183 -39.371 35.368 1.00 3.54 ATOM 1229 C SER 78 10.499 -37.701 33.200 1.00 55.01 ATOM 1230 O SER 78 9.402 -37.824 32.656 1.00 30.20 ATOM 1231 N ASN 79 11.057 -36.520 33.442 1.00 3.42 ATOM 1232 HN ASN 79 11.931 -36.480 33.898 1.00 37.22 ATOM 1233 CA ASN 79 10.397 -35.272 33.074 1.00 24.14 ATOM 1234 HA ASN 79 9.506 -35.175 33.680 1.00 63.53 ATOM 1235 CB ASN 79 11.326 -34.084 33.333 1.00 22.12 ATOM 1236 HB1 ASN 79 10.961 -33.240 32.792 1.00 37.22 ATOM 1237 HB2 ASN 79 12.317 -34.331 32.997 1.00 0.50 ATOM 1238 CG ASN 79 11.377 -33.698 34.799 1.00 75.11 ATOM 1239 OD1 ASN 79 10.407 -33.884 35.535 1.00 42.22 ATOM 1240 ND2 ASN 79 12.510 -33.157 35.229 1.00 24.35 ATOM 1241 HD21 ASN 79 13.252 -33.031 34.595 1.00 72.33 ATOM 1242 HD22 ASN 79 12.564 -32.904 36.173 1.00 65.01 ATOM 1243 C ASN 79 9.975 -35.292 31.609 1.00 50.15 ATOM 1244 O ASN 79 8.917 -34.775 31.250 1.00 15.53 ATOM 1245 N ILE 80 10.809 -35.892 30.766 1.00 31.43 ATOM 1246 HN ILE 80 11.649 -36.283 31.103 1.00 37.22 ATOM 1247 CA ILE 80 10.521 -35.981 29.340 1.00 31.01 ATOM 1248 HA ILE 80 10.151 -35.017 29.004 1.00 64.30 ATOM 1249 CB ILE 80 11.787 -36.318 28.530 1.00 12.41 ATOM 1250 HB ILE 80 12.153 -37.277 28.868 1.00 72.10 ATOM 1251 CG1 ILE 80 12.863 -35.255 28.760 1.00 4.01 ATOM 1252 HG11 ILE 80 12.873 -34.965 29.802 1.00 37.22 ATOM 1253 HG12 ILE 80 12.650 -34.383 28.170 1.00 30.33 ATOM 1254 CG2 ILE 80 11.454 -36.431 27.050 1.00 40.51 ATOM 1255 HG21 ILE 80 12.356 -36.562 26.481 1.00 41.54 ATOM 1256 HG22 ILE 80 10.952 -35.535 26.716 1.00 21.32 ATOM 1257 HG23 ILE 80 10.818 -37.277 26.888 1.00 21.00 ATOM 1258 CD1 ILE 80 14.262 -35.730 28.432 1.00 35.54 ATOM 1259 HD11 ILE 80 14.933 -34.884 28.416 1.00 60.23 ATOM 1260 HD12 ILE 80 14.275 -36.216 27.468 1.00 21.23 ATOM 1261 HD13 ILE 80 14.588 -36.428 29.188 1.00 0.54 ATOM 1262 C ILE 80 9.456 -37.035 29.059 1.00 73.32 ATOM 1263 O ILE 80 8.486 -36.778 28.345 1.00 2.22 ATOM 1264 N ARG 81 9.642 -38.223 29.626 1.00 40.21 ATOM 1265 HN ARG 81 10.445 -38.373 30.181 1.00 37.22 ATOM 1266 CA ARG 81 8.697 -39.316 29.437 1.00 72.52 ATOM 1267 HA ARG 81 8.728 -39.614 28.408 1.00 15.52 ATOM 1268 CB ARG 81 9.078 -40.507 30.319 1.00 10.41 ATOM 1269 HB1 ARG 81 8.180 -41.022 30.641 1.00 37.22 ATOM 1270 HB2 ARG 81 9.589 -40.139 31.196 1.00 44.30 ATOM 1271 CG ARG 81 9.960 -41.527 29.618 1.00 3.41 ATOM 1272 HG1 ARG 81 10.747 -41.012 29.082 1.00 37.22 ATOM 1273 HG2 ARG 81 9.358 -42.091 28.922 1.00 33.45 ATOM 1274 CD ARG 81 10.595 -42.489 30.610 1.00 73.45 ATOM 1275 HD1 ARG 81 11.141 -43.237 30.051 1.00 37.22 ATOM 1276 HD2 ARG 81 9.816 -42.970 31.186 1.00 52.44 ATOM 1277 NE ARG 81 11.512 -41.811 31.521 1.00 14.24 ATOM 1278 HE ARG 81 11.554 -40.831 31.489 1.00 43.21 ATOM 1279 CZ ARG 81 12.308 -42.448 32.372 1.00 62.41 ATOM 1280 NH1 ARG 81 12.301 -43.773 32.426 1.00 33.13 ATOM 1281 HH11 ARG 81 11.705 -44.315 31.837 1.00 14.15 ATOM 1282 HH12 ARG 81 12.906 -44.245 33.070 1.00 44.12 ATOM 1283 NH2 ARG 81 13.115 -41.761 33.170 1.00 50.30 ATOM 1284 HH21 ARG 81 13.138 -40.799 33.135 1.00 55.04 ATOM 1285 HH22 ARG 81 13.708 -42.243 33.818 1.00 71.43 ATOM 1286 C ARG 81 7.274 -38.867 29.757 1.00 22.12 ATOM 1287 O ARG 81 6.354 -39.080 28.969 1.00 71.31 ATOM 1288 N GLU 82 7.103 -38.245 30.920 1.00 42.14 ATOM 1289 HN GLU 82 7.881 -38.112 31.512 1.00 37.22 ATOM 1290 CA GLU 82 5.792 -37.767 31.344 1.00 65.20 ATOM 1291 HA GLU 82 5.154 -38.632 31.470 1.00 24.30 ATOM 1292 CB GLU 82 5.905 -37.011 32.669 1.00 22.25 ATOM 1293 HB1 GLU 82 5.591 -35.993 32.527 1.00 37.22 ATOM 1294 HB2 GLU 82 6.933 -37.004 33.006 1.00 32.33 ATOM 1295 CG GLU 82 5.048 -37.597 33.779 1.00 50.20 ATOM 1296 HG1 GLU 82 4.027 -37.674 33.432 1.00 37.22 ATOM 1297 HG2 GLU 82 5.086 -36.935 34.631 1.00 53.05 ATOM 1298 CD GLU 82 5.518 -38.970 34.216 1.00 23.53 ATOM 1299 OE1 GLU 82 6.624 -39.378 33.803 1.00 42.43 ATOM 1300 OE2 GLU 82 4.781 -39.638 34.971 1.00 22.13 ATOM 1301 C GLU 82 5.173 -36.864 30.282 1.00 55.13 ATOM 1302 O GLU 82 3.963 -36.894 30.054 1.00 31.12 ATOM 1303 N PHE 83 6.010 -36.060 29.635 1.00 61.43 ATOM 1304 HN PHE 83 6.969 -36.069 29.863 1.00 37.22 ATOM 1305 CA PHE 83 5.545 -35.147 28.597 1.00 3.25 ATOM 1306 HA PHE 83 4.694 -34.599 28.981 1.00 40.20 ATOM 1307 CB PHE 83 6.647 -34.148 28.237 1.00 12.31 ATOM 1308 HB1 PHE 83 7.558 -34.683 28.027 1.00 37.22 ATOM 1309 HB2 PHE 83 6.812 -33.504 29.089 1.00 34.03 ATOM 1310 CG PHE 83 6.313 -33.290 27.050 1.00 1.34 ATOM 1311 CD1 PHE 83 6.773 -33.623 25.787 1.00 45.23 ATOM 1312 HD1 PHE 83 7.378 -34.510 25.655 1.00 53.10 ATOM 1313 CD2 PHE 83 5.539 -32.150 27.198 1.00 35.53 ATOM 1314 HD2 PHE 83 5.169 -31.883 28.176 1.00 70.11 ATOM 1315 CE1 PHE 83 6.468 -32.834 24.693 1.00 24.52 ATOM 1316 HE1 PHE 83 6.833 -33.104 23.713 1.00 32.14 ATOM 1317 CE2 PHE 83 5.230 -31.358 26.108 1.00 31.44 ATOM 1318 HE2 PHE 83 4.625 -30.473 26.237 1.00 74.50 ATOM 1319 CZ PHE 83 5.695 -31.702 24.854 1.00 13.30 ATOM 1320 HZ PHE 83 5.474 -31.089 24.004 1.00 23.03 ATOM 1321 C PHE 83 5.111 -35.914 27.352 1.00 43.32 ATOM 1322 O PHE 83 4.172 -35.517 26.660 1.00 21.34 ATOM 1323 N LEU 84 5.802 -37.013 27.071 1.00 32.30 ATOM 1324 HN LEU 84 6.550 -37.281 27.651 1.00 37.22 ATOM 1325 CA LEU 84 5.489 -37.837 25.908 1.00 2.03 ATOM 1326 HA LEU 84 5.298 -37.184 25.065 1.00 71.10 ATOM 1327 CB LEU 84 6.675 -38.740 25.565 1.00 31.51 ATOM 1328 HB1 LEU 84 6.449 -39.262 24.643 1.00 37.22 ATOM 1329 HB2 LEU 84 6.756 -39.482 26.355 1.00 11.21 ATOM 1330 CG LEU 84 8.029 -38.045 25.422 1.00 62.20 ATOM 1331 HG LEU 84 8.096 -37.223 26.111 1.00 73.31 ATOM 1332 CD1 LEU 84 9.161 -39.009 25.746 1.00 54.54 ATOM 1333 HD11 LEU 84 8.974 -39.972 25.288 1.00 45.32 ATOM 1334 HD12 LEU 84 9.237 -39.126 26.800 1.00 22.51 ATOM 1335 HD13 LEU 84 10.098 -38.619 25.372 1.00 55.14 ATOM 1336 CD2 LEU 84 8.193 -37.480 24.019 1.00 53.33 ATOM 1337 HD21 LEU 84 7.809 -38.180 23.299 1.00 1.45 ATOM 1338 HD22 LEU 84 9.237 -37.304 23.822 1.00 43.30 ATOM 1339 HD23 LEU 84 7.650 -36.550 23.941 1.00 21.00 ATOM 1340 C LEU 84 4.246 -38.684 26.159 1.00 13.13 ATOM 1341 O LEU 84 3.540 -39.061 25.224 1.00 62.14 ATOM 1342 N ARG 85 3.982 -38.977 27.428 1.00 24.45 ATOM 1343 HN ARG 85 4.583 -38.659 28.140 1.00 37.22 ATOM 1344 CA ARG 85 2.823 -39.779 27.803 1.00 43.23 ATOM 1345 HA ARG 85 2.799 -40.650 27.159 1.00 32.01 ATOM 1346 CB ARG 85 2.935 -40.226 29.261 1.00 23.03 ATOM 1347 HB1 ARG 85 2.454 -39.499 29.904 1.00 37.22 ATOM 1348 HB2 ARG 85 3.982 -40.278 29.536 1.00 21.44 ATOM 1349 CG ARG 85 2.305 -41.582 29.533 1.00 73.13 ATOM 1350 HG1 ARG 85 1.324 -41.617 29.077 1.00 37.22 ATOM 1351 HG2 ARG 85 2.205 -41.709 30.601 1.00 72.20 ATOM 1352 CD ARG 85 3.151 -42.713 28.969 1.00 53.24 ATOM 1353 HD1 ARG 85 3.645 -42.388 28.063 1.00 37.22 ATOM 1354 HD2 ARG 85 2.501 -43.542 28.727 1.00 31.45 ATOM 1355 NE ARG 85 4.166 -43.162 29.917 1.00 23.21 ATOM 1356 HE ARG 85 5.101 -42.937 29.716 1.00 21.13 ATOM 1357 CZ ARG 85 3.889 -43.849 31.020 1.00 64.02 ATOM 1358 NH1 ARG 85 2.635 -44.164 31.311 1.00 71.20 ATOM 1359 HH11 ARG 85 1.876 -43.904 30.722 1.00 2.10 ATOM 1360 HH12 ARG 85 2.440 -44.679 32.148 1.00 2.44 ATOM 1361 NH2 ARG 85 4.869 -44.223 31.834 1.00 54.43 ATOM 1362 HH21 ARG 85 5.819 -43.989 31.619 1.00 35.03 ATOM 1363 HH22 ARG 85 4.663 -44.741 32.667 1.00 22.22 ATOM 1364 C ARG 85 1.531 -38.994 27.598 1.00 72.01 ATOM 1365 O ARG 85 0.532 -39.536 27.127 1.00 14.22 ATOM 1366 N GLY 86 1.559 -37.714 27.956 1.00 54.32 ATOM 1367 HN GLY 86 2.374 -37.323 28.342 1.00 37.22 ATOM 1368 CA GLY 86 0.384 -36.876 27.804 1.00 14.55 ATOM 1369 HA1 GLY 86 0.524 -35.978 28.369 1.00 37.22 ATOM 1370 HA2 GLY 86 -0.480 -37.395 28.200 1.00 12.11 ATOM 1371 C GLY 86 0.113 -36.512 26.358 1.00 42.01 ATOM 1372 O GLY 86 -0.994 -36.711 25.857 1.00 33.44 ATOM 1373 N CYS 87 1.125 -35.976 25.685 1.00 24.03 ATOM 1374 HN CYS 87 1.989 -35.839 26.143 1.00 37.22 ATOM 1375 CA CYS 87 0.991 -35.581 24.288 1.00 71.14 ATOM 1376 HA CYS 87 0.267 -34.778 24.236 1.00 11.32 ATOM 1377 CB CYS 87 2.332 -35.087 23.744 1.00 24.12 ATOM 1378 HB1 CYS 87 2.283 -35.015 22.664 1.00 37.22 ATOM 1379 HB2 CYS 87 3.104 -35.791 24.015 1.00 61.31 ATOM 1380 SG CYS 87 2.829 -33.464 24.367 1.00 14.13 ATOM 1381 HG CYS 87 1.768 -32.672 24.331 1.00 43.15 ATOM 1382 C CYS 87 0.482 -36.743 23.441 1.00 62.12 ATOM 1383 O CYS 87 -0.336 -36.558 22.541 1.00 12.52 ATOM 1384 N GLY 88 0.975 -37.943 23.734 1.00 14.15 ATOM 1385 HN GLY 88 1.640 -38.047 24.451 1.00 37.22 ATOM 1386 CA GLY 88 0.560 -39.117 22.990 1.00 70.51 ATOM 1387 HA1 GLY 88 1.355 -39.847 23.035 1.00 37.22 ATOM 1388 HA2 GLY 88 0.397 -38.855 21.955 1.00 12.23 ATOM 1389 C GLY 88 -0.699 -39.746 23.553 1.00 71.21 ATOM 1390 O GLY 88 -1.202 -40.733 23.016 1.00 42.21 ATOM 1391 N ALA 89 -1.209 -39.175 24.639 1.00 31.12 ATOM 1392 HN ALA 89 -0.784 -38.405 25.031 1.00 37.22 ATOM 1393 CA ALA 89 -2.417 -39.686 25.275 1.00 12.31 ATOM 1394 HA ALA 89 -2.488 -40.753 25.092 1.00 23.25 ATOM 1395 CB ALA 89 -2.346 -39.485 26.782 1.00 41.34 ATOM 1396 HB1 ALA 89 -1.965 -38.505 27.007 1.00 35.43 ATOM 1397 HB2 ALA 89 -1.697 -40.231 27.209 1.00 73.21 ATOM 1398 HB3 ALA 89 -3.332 -39.594 27.217 1.00 31.23 ATOM 1399 C ALA 89 -3.663 -39.013 24.708 1.00 5.30 ATOM 1400 O ALA 89 -4.613 -39.683 24.305 1.00 70.11 ATOM 1401 N SER 90 -3.651 -37.684 24.681 1.00 41.24 ATOM 1402 HN SER 90 -2.854 -37.198 25.003 1.00 37.22 ATOM 1403 CA SER 90 -4.782 -36.920 24.167 1.00 41.11 ATOM 1404 HA SER 90 -5.684 -37.514 24.265 1.00 4.14 ATOM 1405 CB SER 90 -4.965 -35.634 24.975 1.00 43.32 ATOM 1406 HB1 SER 90 -4.051 -35.059 24.954 1.00 37.22 ATOM 1407 HB2 SER 90 -5.203 -35.888 25.997 1.00 73.53 ATOM 1408 OG SER 90 -6.018 -34.846 24.448 1.00 53.01 ATOM 1409 HG SER 90 -5.679 -34.273 23.756 1.00 11.23 ATOM 1410 C SER 90 -4.585 -36.584 22.692 1.00 53.12 ATOM 1411 O SER 90 -5.343 -37.037 21.833 1.00 35.02 ATOM 1412 N LEU 91 -3.562 -35.786 22.405 1.00 75.44 ATOM 1413 HN LEU 91 -2.975 -35.469 23.132 1.00 37.22 ATOM 1414 CA LEU 91 -3.264 -35.388 21.033 1.00 33.22 ATOM 1415 HA LEU 91 -4.151 -34.931 20.615 1.00 63.25 ATOM 1416 CB LEU 91 -2.118 -34.375 21.013 1.00 34.11 ATOM 1417 HB1 LEU 91 -1.653 -34.411 20.038 1.00 37.22 ATOM 1418 HB2 LEU 91 -1.392 -34.677 21.748 1.00 45.52 ATOM 1419 CG LEU 91 -2.502 -32.922 21.292 1.00 55.41 ATOM 1420 HG LEU 91 -3.119 -32.882 22.179 1.00 42.21 ATOM 1421 CD1 LEU 91 -1.261 -32.081 21.548 1.00 71.12 ATOM 1422 HD11 LEU 91 -0.589 -32.151 20.720 1.00 32.31 ATOM 1423 HD12 LEU 91 -0.765 -32.439 22.438 1.00 11.30 ATOM 1424 HD13 LEU 91 -1.546 -31.048 21.695 1.00 30.01 ATOM 1425 CD2 LEU 91 -3.306 -32.350 20.132 1.00 23.55 ATOM 1426 HD21 LEU 91 -3.444 -31.286 20.260 1.00 4.32 ATOM 1427 HD22 LEU 91 -4.274 -32.828 20.101 1.00 64.32 ATOM 1428 HD23 LEU 91 -2.787 -32.544 19.209 1.00 2.11 ATOM 1429 C LEU 91 -2.902 -36.600 20.181 1.00 61.11 ATOM 1430 O LEU 91 -3.249 -36.668 19.002 1.00 74.42 ATOM 1431 N ARG 92 -2.203 -37.555 20.786 1.00 34.11 ATOM 1432 HN ARG 92 -1.931 -37.452 21.725 1.00 37.22 ATOM 1433 CA ARG 92 -1.795 -38.765 20.083 1.00 61.11 ATOM 1434 HA ARG 92 -1.186 -39.350 20.752 1.00 73.31 ATOM 1435 CB ARG 92 -3.022 -39.583 19.676 1.00 30.01 ATOM 1436 HB1 ARG 92 -2.759 -40.266 18.876 1.00 37.22 ATOM 1437 HB2 ARG 92 -3.795 -38.927 19.313 1.00 12.20 ATOM 1438 CG ARG 92 -3.611 -40.403 20.812 1.00 14.01 ATOM 1439 HG1 ARG 92 -4.671 -40.510 20.643 1.00 37.22 ATOM 1440 HG2 ARG 92 -3.450 -39.894 21.754 1.00 42.40 ATOM 1441 CD ARG 92 -2.982 -41.785 20.886 1.00 32.40 ATOM 1442 HD1 ARG 92 -1.905 -41.682 20.850 1.00 37.22 ATOM 1443 HD2 ARG 92 -3.304 -42.366 20.034 1.00 10.10 ATOM 1444 NE ARG 92 -3.336 -42.482 22.120 1.00 63.42 ATOM 1445 HE ARG 92 -2.650 -42.533 22.822 1.00 1.30 ATOM 1446 CZ ARG 92 -4.522 -43.041 22.334 1.00 3.13 ATOM 1447 NH1 ARG 92 -5.463 -42.985 21.402 1.00 0.22 ATOM 1448 HH11 ARG 92 -5.312 -42.534 20.529 1.00 1.43 ATOM 1449 HH12 ARG 92 -6.355 -43.408 21.577 1.00 62.22 ATOM 1450 NH2 ARG 92 -4.768 -43.658 23.483 1.00 1.30 ATOM 1451 HH21 ARG 92 -4.061 -43.704 24.192 1.00 63.20 ATOM 1452 HH22 ARG 92 -5.662 -44.080 23.647 1.00 64.54 ATOM 1453 C ARG 92 -0.966 -38.423 18.848 1.00 12.12 ATOM 1454 O ARG 92 -1.144 -39.017 17.784 1.00 52.43 ATOM 1455 N LEU 93 -0.061 -37.462 18.997 1.00 30.24 ATOM 1456 HN LEU 93 0.066 -37.045 19.879 1.00 37.22 ATOM 1457 CA LEU 93 0.795 -37.040 17.894 1.00 4.05 ATOM 1458 HA LEU 93 0.324 -37.307 16.955 1.00 43.42 ATOM 1459 CB LEU 93 0.982 -35.522 17.920 1.00 54.13 ATOM 1460 HB1 LEU 93 -0.002 -35.074 17.970 1.00 37.22 ATOM 1461 HB2 LEU 93 1.418 -35.235 16.973 1.00 5.01 ATOM 1462 CG LEU 93 1.837 -34.969 19.060 1.00 31.44 ATOM 1463 HG LEU 93 2.389 -35.762 19.543 1.00 13.42 ATOM 1464 CD1 LEU 93 2.856 -33.974 18.529 1.00 5.23 ATOM 1465 HD11 LEU 93 3.313 -34.351 17.626 1.00 25.13 ATOM 1466 HD12 LEU 93 3.622 -33.823 19.275 1.00 21.52 ATOM 1467 HD13 LEU 93 2.375 -33.031 18.324 1.00 74.23 ATOM 1468 CD2 LEU 93 0.958 -34.321 20.120 1.00 22.44 ATOM 1469 HD21 LEU 93 0.295 -33.612 19.653 1.00 43.43 ATOM 1470 HD22 LEU 93 1.575 -33.812 20.851 1.00 24.23 ATOM 1471 HD23 LEU 93 0.388 -35.084 20.613 1.00 4.34 ATOM 1472 C LEU 93 2.153 -37.731 17.964 1.00 62.51 ATOM 1473 O LEU 93 2.378 -38.594 18.812 1.00 31.10 ATOM 1474 N GLU 94 3.055 -37.345 17.067 1.00 2.42 ATOM 1475 HN GLU 94 2.814 -36.672 16.390 1.00 37.22 ATOM 1476 CA GLU 94 4.391 -37.927 17.029 1.00 65.15 ATOM 1477 HA GLU 94 4.285 -38.991 16.857 1.00 12.32 ATOM 1478 CB GLU 94 5.202 -37.325 15.879 1.00 54.52 ATOM 1479 HB1 GLU 94 4.583 -37.308 14.993 1.00 37.22 ATOM 1480 HB2 GLU 94 6.058 -37.959 15.686 1.00 21.30 ATOM 1481 CG GLU 94 5.677 -35.907 16.147 1.00 3.41 ATOM 1482 HG1 GLU 94 4.986 -35.408 16.811 1.00 37.22 ATOM 1483 HG2 GLU 94 5.708 -35.376 15.207 1.00 60.44 ATOM 1484 CD GLU 94 7.063 -35.863 16.761 1.00 11.45 ATOM 1485 OE1 GLU 94 8.027 -36.274 16.083 1.00 51.23 ATOM 1486 OE2 GLU 94 7.183 -35.416 17.922 1.00 73.32 ATOM 1487 C GLU 94 5.121 -37.704 18.350 1.00 34.34 ATOM 1488 O GLU 94 4.997 -36.648 18.971 1.00 11.22 ATOM 1489 N THR 95 5.881 -38.708 18.777 1.00 43.15 ATOM 1490 HN THR 95 5.937 -39.537 18.246 1.00 37.22 ATOM 1491 CA THR 95 6.629 -38.624 20.025 1.00 41.34 ATOM 1492 HA THR 95 6.639 -37.596 20.372 1.00 43.35 ATOM 1493 CB THR 95 5.988 -39.492 21.123 1.00 14.15 ATOM 1494 HB THR 95 6.595 -39.435 22.017 1.00 30.13 ATOM 1495 OG1 THR 95 5.919 -40.856 20.693 1.00 50.34 ATOM 1496 HG1 THR 95 5.895 -41.436 21.459 1.00 52.24 ATOM 1497 CG2 THR 95 4.592 -38.991 21.463 1.00 71.11 ATOM 1498 HG21 THR 95 3.963 -39.059 20.591 1.00 43.34 ATOM 1499 HG22 THR 95 4.644 -37.963 21.792 1.00 64.23 ATOM 1500 HG23 THR 95 4.176 -39.599 22.253 1.00 14.50 ATOM 1501 C THR 95 8.077 -39.060 19.829 1.00 54.42 ATOM 1502 O THR 95 8.432 -39.619 18.791 1.00 1.12 ATOM 1503 N PHE 96 8.909 -38.801 20.832 1.00 15.33 ATOM 1504 HN PHE 96 8.578 -38.345 21.615 1.00 37.22 ATOM 1505 CA PHE 96 10.319 -39.167 20.770 1.00 52.51 ATOM 1506 HA PHE 96 10.470 -39.880 19.969 1.00 21.54 ATOM 1507 CB PHE 96 11.176 -37.931 20.488 1.00 0.11 ATOM 1508 HB1 PHE 96 10.859 -37.506 19.547 1.00 37.22 ATOM 1509 HB2 PHE 96 12.212 -38.222 20.400 1.00 42.43 ATOM 1510 CG PHE 96 11.054 -36.864 21.538 1.00 34.14 ATOM 1511 CD1 PHE 96 9.946 -36.033 21.575 1.00 52.24 ATOM 1512 HD1 PHE 96 9.162 -36.155 20.840 1.00 11.05 ATOM 1513 CD2 PHE 96 12.047 -36.692 22.489 1.00 32.42 ATOM 1514 HD2 PHE 96 12.910 -37.328 22.480 1.00 63.24 ATOM 1515 CE1 PHE 96 9.830 -35.050 22.540 1.00 72.41 ATOM 1516 HE1 PHE 96 8.961 -34.409 22.557 1.00 2.01 ATOM 1517 CE2 PHE 96 11.936 -35.712 23.457 1.00 21.11 ATOM 1518 HE2 PHE 96 12.700 -35.600 24.189 1.00 2.13 ATOM 1519 CZ PHE 96 10.827 -34.889 23.482 1.00 71.32 ATOM 1520 HZ PHE 96 10.739 -34.122 24.237 1.00 1.02 ATOM 1521 C PHE 96 10.768 -39.825 22.071 1.00 31.01 ATOM 1522 O PHE 96 9.983 -39.971 23.008 1.00 23.34 ATOM 1523 N ASP 97 12.035 -40.221 22.120 1.00 41.40 ATOM 1524 HN ASP 97 12.621 -40.086 21.340 1.00 37.22 ATOM 1525 CA ASP 97 12.590 -40.863 23.306 1.00 62.35 ATOM 1526 HA ASP 97 11.770 -41.215 23.928 1.00 14.23 ATOM 1527 CB ASP 97 13.452 -42.062 22.906 1.00 73.23 ATOM 1528 HB1 ASP 97 14.240 -42.212 23.635 1.00 37.22 ATOM 1529 HB2 ASP 97 13.901 -41.879 21.940 1.00 42.34 ATOM 1530 CG ASP 97 12.652 -43.347 22.820 1.00 74.13 ATOM 1531 OD1 ASP 97 12.183 -43.680 21.712 1.00 72.55 ATOM 1532 OD2 ASP 97 12.494 -44.019 23.861 1.00 55.22 ATOM 1533 C ASP 97 13.418 -39.876 24.122 1.00 43.33 ATOM 1534 O ASP 97 14.194 -39.097 23.570 1.00 45.44 ATOM 1535 N ALA 98 13.246 -39.914 25.439 1.00 42.11 ATOM 1536 HN ALA 98 12.607 -40.561 25.824 1.00 37.22 ATOM 1537 CA ALA 98 13.978 -39.023 26.331 1.00 61.20 ATOM 1538 HA ALA 98 13.682 -38.013 26.112 1.00 61.24 ATOM 1539 CB ALA 98 13.624 -39.320 27.781 1.00 71.34 ATOM 1540 HB1 ALA 98 14.120 -38.611 28.429 1.00 24.44 ATOM 1541 HB2 ALA 98 13.939 -40.323 28.035 1.00 72.03 ATOM 1542 HB3 ALA 98 12.555 -39.238 27.912 1.00 50.23 ATOM 1543 C ALA 98 15.483 -39.146 26.116 1.00 32.12 ATOM 1544 O ALA 98 16.238 -38.220 26.407 1.00 43.33 ATOM 1545 N ASN 99 15.911 -40.296 25.606 1.00 21.33 ATOM 1546 HN ASN 99 15.271 -41.016 25.426 1.00 37.22 ATOM 1547 CA ASN 99 17.327 -40.541 25.354 1.00 54.51 ATOM 1548 HA ASN 99 17.865 -40.399 26.282 1.00 4.42 ATOM 1549 CB ASN 99 17.540 -41.979 24.877 1.00 4.43 ATOM 1550 HB1 ASN 99 18.598 -42.196 24.869 1.00 37.22 ATOM 1551 HB2 ASN 99 17.146 -42.095 23.877 1.00 12.15 ATOM 1552 CG ASN 99 16.850 -42.992 25.769 1.00 31.14 ATOM 1553 OD1 ASN 99 15.806 -43.539 25.414 1.00 14.21 ATOM 1554 ND2 ASN 99 17.432 -43.247 26.936 1.00 73.05 ATOM 1555 HD21 ASN 99 18.266 -42.779 27.168 1.00 3.22 ATOM 1556 HD22 ASN 99 17.001 -43.899 27.527 1.00 50.35 ATOM 1557 C ASN 99 17.871 -39.563 24.317 1.00 52.13 ATOM 1558 O ASN 99 18.786 -38.789 24.598 1.00 21.12 ATOM 1559 N ASP 100 17.301 -39.604 23.117 1.00 1.24 ATOM 1560 HN ASP 100 16.566 -40.241 22.954 1.00 37.22 ATOM 1561 CA ASP 100 17.727 -38.721 22.038 1.00 44.30 ATOM 1562 HA ASP 100 18.731 -39.003 21.754 1.00 75.34 ATOM 1563 CB ASP 100 16.807 -38.880 20.827 1.00 41.33 ATOM 1564 HB1 ASP 100 16.392 -39.879 20.809 1.00 37.22 ATOM 1565 HB2 ASP 100 17.385 -38.727 19.936 1.00 54.41 ATOM 1566 CG ASP 100 15.665 -37.882 20.832 1.00 23.42 ATOM 1567 OD1 ASP 100 14.528 -38.284 21.157 1.00 1.44 ATOM 1568 OD2 ASP 100 15.909 -36.700 20.512 1.00 21.40 ATOM 1569 C ASP 100 17.737 -37.266 22.498 1.00 71.14 ATOM 1570 O ASP 100 18.525 -36.455 22.010 1.00 41.22 ATOM 1571 N LEU 101 16.856 -36.942 23.438 1.00 60.42 ATOM 1572 HN LEU 101 16.216 -37.613 23.767 1.00 37.22 ATOM 1573 CA LEU 101 16.762 -35.585 23.963 1.00 12.32 ATOM 1574 HA LEU 101 16.888 -34.890 23.141 1.00 52.50 ATOM 1575 CB LEU 101 15.386 -35.354 24.590 1.00 11.23 ATOM 1576 HB1 LEU 101 15.165 -36.189 25.241 1.00 37.22 ATOM 1577 HB2 LEU 101 14.669 -35.348 23.785 1.00 3.43 ATOM 1578 CG LEU 101 15.222 -34.062 25.392 1.00 52.13 ATOM 1579 HG LEU 101 15.846 -34.104 26.273 1.00 0.42 ATOM 1580 CD1 LEU 101 15.656 -32.862 24.565 1.00 43.14 ATOM 1581 HD11 LEU 101 14.998 -32.741 23.732 1.00 33.43 ATOM 1582 HD12 LEU 101 16.661 -32.984 24.206 1.00 51.10 ATOM 1583 HD13 LEU 101 15.618 -31.986 25.179 1.00 71.33 ATOM 1584 CD2 LEU 101 13.781 -33.900 25.853 1.00 32.24 ATOM 1585 HD21 LEU 101 13.749 -33.251 26.705 1.00 3.41 ATOM 1586 HD22 LEU 101 13.371 -34.846 26.112 1.00 61.14 ATOM 1587 HD23 LEU 101 13.184 -33.470 25.059 1.00 54.11 ATOM 1588 C LEU 101 17.854 -35.323 24.995 1.00 21.33 ATOM 1589 O LEU 101 18.441 -34.242 25.032 1.00 1.44 ATOM 1590 N TYR 102 18.123 -36.321 25.830 1.00 51.00 ATOM 1591 HN TYR 102 17.619 -37.166 25.758 1.00 37.22 ATOM 1592 CA TYR 102 19.145 -36.199 26.863 1.00 73.01 ATOM 1593 HA TYR 102 18.984 -35.258 27.369 1.00 11.41 ATOM 1594 CB TYR 102 19.029 -37.351 27.862 1.00 25.33 ATOM 1595 HB1 TYR 102 19.531 -38.232 27.478 1.00 37.22 ATOM 1596 HB2 TYR 102 17.986 -37.573 27.989 1.00 44.34 ATOM 1597 CG TYR 102 19.585 -37.024 29.230 1.00 62.40 ATOM 1598 CD1 TYR 102 19.182 -35.883 29.911 1.00 13.30 ATOM 1599 HD1 TYR 102 18.458 -35.222 29.456 1.00 23.13 ATOM 1600 CD2 TYR 102 20.513 -37.858 29.842 1.00 64.35 ATOM 1601 HD2 TYR 102 20.840 -38.752 29.329 1.00 40.01 ATOM 1602 CE1 TYR 102 19.688 -35.580 31.160 1.00 14.03 ATOM 1603 HE1 TYR 102 19.361 -34.688 31.673 1.00 70.33 ATOM 1604 CE2 TYR 102 21.023 -37.564 31.091 1.00 25.33 ATOM 1605 HE2 TYR 102 21.744 -38.225 31.549 1.00 44.44 ATOM 1606 CZ TYR 102 20.608 -36.424 31.746 1.00 11.23 ATOM 1607 OH TYR 102 21.113 -36.126 32.991 1.00 21.53 ATOM 1608 HH TYR 102 22.024 -35.827 32.911 1.00 40.14 ATOM 1609 C TYR 102 20.541 -36.182 26.249 1.00 41.44 ATOM 1610 O TYR 102 21.307 -35.240 26.450 1.00 40.33 ATOM 1611 N GLN 103 20.863 -37.230 25.498 1.00 24.33 ATOM 1612 HN GLN 103 20.203 -37.950 25.367 1.00 37.22 ATOM 1613 CA GLN 103 22.167 -37.336 24.854 1.00 22.21 ATOM 1614 HA GLN 103 22.928 -37.053 25.572 1.00 4.44 ATOM 1615 CB GLN 103 22.426 -38.778 24.414 1.00 43.03 ATOM 1616 HB1 GLN 103 23.394 -38.835 23.931 1.00 37.22 ATOM 1617 HB2 GLN 103 21.665 -39.059 23.697 1.00 50.33 ATOM 1618 CG GLN 103 22.378 -39.781 25.555 1.00 5.22 ATOM 1619 HG1 GLN 103 22.029 -40.723 25.158 1.00 37.22 ATOM 1620 HG2 GLN 103 21.685 -39.444 26.314 1.00 45.51 ATOM 1621 CD GLN 103 23.737 -40.011 26.187 1.00 62.43 ATOM 1622 OE1 GLN 103 24.743 -40.150 25.490 1.00 0.40 ATOM 1623 NE2 GLN 103 23.774 -40.054 27.513 1.00 21.14 ATOM 1624 HE21 GLN 103 22.940 -39.938 28.022 1.00 32.24 ATOM 1625 HE22 GLN 103 24.644 -40.201 27.939 1.00 52.31 ATOM 1626 C GLN 103 22.258 -36.401 23.653 1.00 45.11 ATOM 1627 O GLN 103 23.350 -36.083 23.182 1.00 32.33 ATOM 1628 N GLY 104 21.103 -35.963 23.161 1.00 45.12 ATOM 1629 HN GLY 104 20.250 -36.258 23.540 1.00 37.22 ATOM 1630 CA GLY 104 21.075 -35.069 22.018 1.00 4.31 ATOM 1631 HA1 GLY 104 21.718 -34.221 22.215 1.00 37.22 ATOM 1632 HA2 GLY 104 20.070 -34.706 21.876 1.00 74.34 ATOM 1633 C GLY 104 21.541 -35.743 20.743 1.00 53.13 ATOM 1634 O GLY 104 22.388 -35.211 20.026 1.00 24.15 ATOM 1635 N GLN 105 20.986 -36.917 20.460 1.00 61.13 ATOM 1636 HN GLN 105 20.298 -37.287 21.063 1.00 37.22 ATOM 1637 CA GLN 105 21.352 -37.665 19.263 1.00 72.41 ATOM 1638 HA GLN 105 22.366 -37.405 18.982 1.00 23.54 ATOM 1639 CB GLN 105 21.302 -39.169 19.541 1.00 53.24 ATOM 1640 HB1 GLN 105 21.604 -39.705 18.649 1.00 37.22 ATOM 1641 HB2 GLN 105 20.282 -39.442 19.781 1.00 11.24 ATOM 1642 CG GLN 105 22.181 -39.603 20.702 1.00 2.42 ATOM 1643 HG1 GLN 105 21.681 -40.413 21.214 1.00 37.22 ATOM 1644 HG2 GLN 105 22.315 -38.783 21.395 1.00 41.45 ATOM 1645 CD GLN 105 23.550 -40.076 20.253 1.00 13.42 ATOM 1646 OE1 GLN 105 24.285 -39.345 19.588 1.00 15.32 ATOM 1647 NE2 GLN 105 23.900 -41.304 20.615 1.00 31.22 ATOM 1648 HE21 GLN 105 23.275 -41.847 21.147 1.00 52.22 ATOM 1649 HE22 GLN 105 24.782 -41.626 20.333 1.00 4.30 ATOM 1650 C GLN 105 20.426 -37.320 18.101 1.00 45.12 ATOM 1651 O GLN 105 20.865 -37.214 16.956 1.00 13.13 ATOM 1652 N ASN 106 19.144 -37.146 18.404 1.00 41.24 ATOM 1653 HN ASN 106 18.839 -37.258 19.332 1.00 37.22 ATOM 1654 CA ASN 106 18.156 -36.813 17.384 1.00 63.05 ATOM 1655 HA ASN 106 18.666 -36.463 16.495 1.00 75.42 ATOM 1656 CB ASN 106 17.313 -38.043 17.040 1.00 44.21 ATOM 1657 HB1 ASN 106 16.345 -37.742 16.678 1.00 37.22 ATOM 1658 HB2 ASN 106 17.186 -38.647 17.920 1.00 2.32 ATOM 1659 CG ASN 106 17.952 -38.899 15.964 1.00 62.33 ATOM 1660 OD1 ASN 106 18.728 -38.408 15.143 1.00 34.51 ATOM 1661 ND2 ASN 106 17.628 -40.187 15.963 1.00 61.13 ATOM 1662 HD21 ASN 106 17.002 -40.524 16.644 1.00 73.23 ATOM 1663 HD22 ASN 106 18.031 -40.758 15.275 1.00 1.23 ATOM 1664 C ASN 106 17.252 -35.677 17.852 1.00 33.42 ATOM 1665 O ASN 106 16.052 -35.867 18.053 1.00 30.51 ATOM 1666 N PHE 107 17.835 -34.496 18.024 1.00 3.10 ATOM 1667 HN PHE 107 18.803 -34.406 17.847 1.00 37.22 ATOM 1668 CA PHE 107 17.083 -33.329 18.469 1.00 14.04 ATOM 1669 HA PHE 107 16.702 -33.535 19.460 1.00 25.13 ATOM 1670 CB PHE 107 17.995 -32.102 18.536 1.00 73.24 ATOM 1671 HB1 PHE 107 18.425 -31.930 17.557 1.00 37.22 ATOM 1672 HB2 PHE 107 18.792 -32.301 19.239 1.00 54.53 ATOM 1673 CG PHE 107 17.289 -30.854 18.984 1.00 62.33 ATOM 1674 CD1 PHE 107 16.711 -30.783 20.241 1.00 73.13 ATOM 1675 HD1 PHE 107 16.769 -31.635 20.905 1.00 44.21 ATOM 1676 CD2 PHE 107 17.205 -29.752 18.148 1.00 21.22 ATOM 1677 HD2 PHE 107 17.651 -29.793 17.164 1.00 10.33 ATOM 1678 CE1 PHE 107 16.060 -29.636 20.655 1.00 23.20 ATOM 1679 HE1 PHE 107 15.619 -29.593 21.633 1.00 11.03 ATOM 1680 CE2 PHE 107 16.556 -28.602 18.557 1.00 23.33 ATOM 1681 HE2 PHE 107 16.498 -27.751 17.896 1.00 33.41 ATOM 1682 CZ PHE 107 15.984 -28.544 19.813 1.00 61.01 ATOM 1683 HZ PHE 107 15.470 -27.659 20.125 1.00 22.02 ATOM 1684 C PHE 107 15.906 -33.052 17.538 1.00 63.54 ATOM 1685 O PHE 107 14.904 -32.466 17.943 1.00 0.04 ATOM 1686 N ASN 108 16.038 -33.479 16.286 1.00 72.23 ATOM 1687 HN ASN 108 16.900 -33.821 15.998 1.00 37.22 ATOM 1688 CA ASN 108 14.987 -33.277 15.295 1.00 71.00 ATOM 1689 HA ASN 108 14.911 -32.217 15.102 1.00 61.31 ATOM 1690 CB ASN 108 15.341 -33.995 13.991 1.00 23.13 ATOM 1691 HB1 ASN 108 16.081 -33.410 13.463 1.00 37.22 ATOM 1692 HB2 ASN 108 14.460 -34.086 13.368 1.00 45.34 ATOM 1693 CG ASN 108 15.905 -35.383 14.230 1.00 11.42 ATOM 1694 OD1 ASN 108 15.163 -36.362 14.304 1.00 14.14 ATOM 1695 ND2 ASN 108 17.224 -35.472 14.352 1.00 22.22 ATOM 1696 HD21 ASN 108 17.770 -34.657 14.278 1.00 12.32 ATOM 1697 HD22 ASN 108 17.607 -36.360 14.513 1.00 62.35 ATOM 1698 C ASN 108 13.644 -33.779 15.816 1.00 32.13 ATOM 1699 O ASN 108 12.647 -33.057 15.794 1.00 1.32 ATOM 1700 N LYS 109 13.625 -35.022 16.286 1.00 51.10 ATOM 1701 HN LYS 109 14.465 -35.522 16.339 1.00 37.22 ATOM 1702 CA LYS 109 12.406 -35.622 16.815 1.00 10.23 ATOM 1703 HA LYS 109 11.688 -35.688 16.010 1.00 64.03 ATOM 1704 CB LYS 109 12.692 -37.031 17.339 1.00 4.12 ATOM 1705 HB1 LYS 109 11.753 -37.491 17.614 1.00 37.22 ATOM 1706 HB2 LYS 109 13.321 -36.955 18.215 1.00 54.24 ATOM 1707 CG LYS 109 13.388 -37.926 16.328 1.00 10.12 ATOM 1708 HG1 LYS 109 14.398 -37.593 16.202 1.00 37.22 ATOM 1709 HG2 LYS 109 12.868 -37.867 15.382 1.00 1.45 ATOM 1710 CD LYS 109 13.401 -39.376 16.783 1.00 51.22 ATOM 1711 HD1 LYS 109 13.887 -39.974 16.026 1.00 37.22 ATOM 1712 HD2 LYS 109 12.384 -39.717 16.913 1.00 63.44 ATOM 1713 CE LYS 109 14.149 -39.541 18.097 1.00 61.23 ATOM 1714 HE1 LYS 109 13.647 -38.977 18.868 1.00 37.22 ATOM 1715 HE2 LYS 109 15.146 -39.177 17.984 1.00 0.12 ATOM 1716 NZ LYS 109 14.207 -40.966 18.527 1.00 54.23 ATOM 1717 HZ1 LYS 109 13.246 -41.343 18.661 1.00 12.45 ATOM 1718 HZ2 LYS 109 14.723 -41.044 19.426 1.00 65.24 ATOM 1719 HZ3 LYS 109 14.698 -41.541 17.811 1.00 71.53 ATOM 1720 C LYS 109 11.817 -34.764 17.930 1.00 11.42 ATOM 1721 O LYS 109 10.599 -34.617 18.037 1.00 43.53 ATOM 1722 N VAL 110 12.689 -34.197 18.759 1.00 72.53 ATOM 1723 HN VAL 110 13.651 -34.330 18.606 1.00 37.22 ATOM 1724 CA VAL 110 12.255 -33.351 19.864 1.00 31.50 ATOM 1725 HA VAL 110 11.533 -33.909 20.451 1.00 60.22 ATOM 1726 CB VAL 110 13.435 -32.974 20.779 1.00 61.01 ATOM 1727 HB VAL 110 14.092 -32.301 20.245 1.00 53.41 ATOM 1728 CG1 VAL 110 12.937 -32.255 22.023 1.00 25.15 ATOM 1729 HG11 VAL 110 13.772 -31.782 22.510 1.00 31.21 ATOM 1730 HG12 VAL 110 12.482 -32.956 22.700 1.00 72.04 ATOM 1731 HG13 VAL 110 12.215 -31.495 21.764 1.00 73.41 ATOM 1732 CG2 VAL 110 14.236 -34.212 21.153 1.00 70.23 ATOM 1733 HG21 VAL 110 14.879 -34.001 21.996 1.00 25.10 ATOM 1734 HG22 VAL 110 14.850 -34.500 20.316 1.00 3.04 ATOM 1735 HG23 VAL 110 13.580 -35.017 21.398 1.00 74.22 ATOM 1736 C VAL 110 11.594 -32.076 19.353 1.00 31.13 ATOM 1737 O VAL 110 10.532 -31.679 19.834 1.00 53.21 ATOM 1738 N LEU 111 12.228 -31.438 18.376 1.00 25.20 ATOM 1739 HN LEU 111 13.079 -31.803 18.034 1.00 37.22 ATOM 1740 CA LEU 111 11.702 -30.206 17.798 1.00 30.52 ATOM 1741 HA LEU 111 11.597 -29.491 18.597 1.00 5.34 ATOM 1742 CB LEU 111 12.663 -29.666 16.737 1.00 34.34 ATOM 1743 HB1 LEU 111 12.406 -30.106 15.779 1.00 37.22 ATOM 1744 HB2 LEU 111 13.667 -29.992 16.989 1.00 63.53 ATOM 1745 CG LEU 111 12.695 -28.146 16.572 1.00 34.45 ATOM 1746 HG LEU 111 11.689 -27.787 16.408 1.00 71.14 ATOM 1747 CD1 LEU 111 13.229 -27.484 17.833 1.00 42.13 ATOM 1748 HD11 LEU 111 14.297 -27.558 17.862 1.00 73.45 ATOM 1749 HD12 LEU 111 12.818 -27.941 18.718 1.00 61.41 ATOM 1750 HD13 LEU 111 12.951 -26.452 17.823 1.00 71.22 ATOM 1751 CD2 LEU 111 13.536 -27.759 15.366 1.00 44.54 ATOM 1752 HD21 LEU 111 13.442 -26.714 15.187 1.00 24.44 ATOM 1753 HD22 LEU 111 13.190 -28.296 14.493 1.00 23.52 ATOM 1754 HD23 LEU 111 14.574 -28.004 15.548 1.00 1.12 ATOM 1755 C LEU 111 10.325 -30.438 17.183 1.00 25.42 ATOM 1756 O LEU 111 9.368 -29.730 17.495 1.00 61.13 ATOM 1757 N SER 112 10.234 -31.436 16.310 1.00 34.30 ATOM 1758 HN SER 112 11.039 -31.969 16.101 1.00 37.22 ATOM 1759 CA SER 112 8.975 -31.761 15.650 1.00 35.11 ATOM 1760 HA SER 112 8.703 -30.926 15.020 1.00 63.30 ATOM 1761 CB SER 112 9.138 -33.007 14.778 1.00 61.23 ATOM 1762 HB1 SER 112 8.185 -33.271 14.338 1.00 37.22 ATOM 1763 HB2 SER 112 9.491 -33.827 15.386 1.00 31.51 ATOM 1764 OG SER 112 10.068 -32.780 13.733 1.00 51.32 ATOM 1765 HG SER 112 10.963 -32.871 14.071 1.00 73.30 ATOM 1766 C SER 112 7.866 -31.985 16.674 1.00 23.44 ATOM 1767 O SER 112 6.689 -31.764 16.390 1.00 3.24 ATOM 1768 N SER 113 8.252 -32.427 17.867 1.00 2.23 ATOM 1769 HN SER 113 9.198 -32.638 18.032 1.00 37.22 ATOM 1770 CA SER 113 7.292 -32.685 18.934 1.00 62.41 ATOM 1771 HA SER 113 6.493 -33.293 18.539 1.00 53.15 ATOM 1772 CB SER 113 7.966 -33.436 20.084 1.00 33.41 ATOM 1773 HB1 SER 113 8.619 -32.771 20.628 1.00 37.22 ATOM 1774 HB2 SER 113 8.545 -34.256 19.685 1.00 42.45 ATOM 1775 OG SER 113 7.004 -33.957 20.986 1.00 43.04 ATOM 1776 HG SER 113 6.636 -34.771 20.632 1.00 63.42 ATOM 1777 C SER 113 6.687 -31.383 19.448 1.00 52.45 ATOM 1778 O SER 113 5.518 -31.337 19.832 1.00 15.23 ATOM 1779 N LEU 114 7.491 -30.325 19.451 1.00 73.13 ATOM 1780 HN LEU 114 8.414 -30.414 19.127 1.00 37.22 ATOM 1781 CA LEU 114 7.036 -29.020 19.917 1.00 51.32 ATOM 1782 HA LEU 114 6.344 -29.167 20.739 1.00 51.13 ATOM 1783 CB LEU 114 8.221 -28.196 20.423 1.00 41.53 ATOM 1784 HB1 LEU 114 7.834 -27.370 20.995 1.00 37.22 ATOM 1785 HB2 LEU 114 8.751 -27.795 19.565 1.00 55.41 ATOM 1786 CG LEU 114 9.239 -28.943 21.285 1.00 40.11 ATOM 1787 HG LEU 114 9.729 -29.684 20.686 1.00 1.14 ATOM 1788 CD1 LEU 114 10.304 -27.988 21.802 1.00 34.03 ATOM 1789 HD11 LEU 114 9.849 -27.063 22.135 1.00 54.20 ATOM 1790 HD12 LEU 114 11.009 -27.781 21.014 1.00 50.11 ATOM 1791 HD13 LEU 114 10.828 -28.440 22.629 1.00 1.34 ATOM 1792 CD2 LEU 114 8.544 -29.647 22.441 1.00 11.11 ATOM 1793 HD21 LEU 114 7.863 -30.393 22.060 1.00 14.23 ATOM 1794 HD22 LEU 114 7.995 -28.926 23.031 1.00 43.41 ATOM 1795 HD23 LEU 114 9.282 -30.131 23.067 1.00 51.30 ATOM 1796 C LEU 114 6.315 -28.265 18.804 1.00 20.13 ATOM 1797 O LEU 114 5.382 -27.504 19.060 1.00 75.23 ATOM 1798 N VAL 115 6.753 -28.483 17.568 1.00 2.34 ATOM 1799 HN VAL 115 7.482 -29.125 17.422 1.00 37.22 ATOM 1800 CA VAL 115 6.148 -27.826 16.416 1.00 51.01 ATOM 1801 HA VAL 115 6.138 -26.758 16.604 1.00 21.22 ATOM 1802 CB VAL 115 6.960 -28.083 15.133 1.00 61.13 ATOM 1803 HB VAL 115 6.890 -29.134 14.882 1.00 11.21 ATOM 1804 CG1 VAL 115 6.394 -27.279 13.972 1.00 4.44 ATOM 1805 HG11 VAL 115 7.013 -27.423 13.096 1.00 73.34 ATOM 1806 HG12 VAL 115 6.380 -26.229 14.228 1.00 14.23 ATOM 1807 HG13 VAL 115 5.390 -27.608 13.750 1.00 23.03 ATOM 1808 CG2 VAL 115 8.428 -27.752 15.356 1.00 31.04 ATOM 1809 HG21 VAL 115 8.839 -28.381 16.103 1.00 54.31 ATOM 1810 HG22 VAL 115 8.525 -26.722 15.665 1.00 62.11 ATOM 1811 HG23 VAL 115 8.974 -27.897 14.433 1.00 62.40 ATOM 1812 C VAL 115 4.716 -28.302 16.202 1.00 74.13 ATOM 1813 O VAL 115 3.818 -27.505 15.927 1.00 43.42 ATOM 1814 N THR 116 4.507 -29.609 16.330 1.00 54.22 ATOM 1815 HN THR 116 5.263 -30.204 16.549 1.00 37.22 ATOM 1816 CA THR 116 3.183 -30.193 16.150 1.00 44.52 ATOM 1817 HA THR 116 2.744 -29.773 15.251 1.00 62.44 ATOM 1818 CB THR 116 3.263 -31.721 15.973 1.00 52.42 ATOM 1819 HB THR 116 3.699 -32.146 16.859 1.00 45.33 ATOM 1820 OG1 THR 116 4.099 -32.042 14.855 1.00 13.44 ATOM 1821 HG1 THR 116 5.022 -31.988 15.116 1.00 10.43 ATOM 1822 CG2 THR 116 1.878 -32.314 15.763 1.00 13.23 ATOM 1823 HG21 THR 116 1.291 -32.221 16.663 1.00 1.44 ATOM 1824 HG22 THR 116 1.975 -33.359 15.511 1.00 61.55 ATOM 1825 HG23 THR 116 1.379 -31.800 14.952 1.00 50.22 ATOM 1826 C THR 116 2.277 -29.876 17.334 1.00 40.12 ATOM 1827 O THR 116 1.134 -29.453 17.158 1.00 14.10 ATOM 1828 N LEU 117 2.794 -30.082 18.540 1.00 32.41 ATOM 1829 HN LEU 117 3.714 -30.432 18.619 1.00 37.22 ATOM 1830 CA LEU 117 2.031 -29.818 19.755 1.00 54.21 ATOM 1831 HA LEU 117 1.221 -30.522 19.797 1.00 24.20 ATOM 1832 CB LEU 117 2.912 -30.019 20.989 1.00 62.44 ATOM 1833 HB1 LEU 117 3.873 -29.562 20.785 1.00 37.22 ATOM 1834 HB2 LEU 117 3.066 -31.082 21.122 1.00 5.10 ATOM 1835 CG LEU 117 2.378 -29.438 22.298 1.00 55.01 ATOM 1836 HG LEU 117 2.165 -28.390 22.176 1.00 72.14 ATOM 1837 CD1 LEU 117 1.080 -30.124 22.696 1.00 22.33 ATOM 1838 HD11 LEU 117 1.242 -31.188 22.791 1.00 52.34 ATOM 1839 HD12 LEU 117 0.334 -29.940 21.942 1.00 62.30 ATOM 1840 HD13 LEU 117 0.733 -29.728 23.641 1.00 54.21 ATOM 1841 CD2 LEU 117 3.415 -29.571 23.403 1.00 12.14 ATOM 1842 HD21 LEU 117 3.497 -30.607 23.691 1.00 54.33 ATOM 1843 HD22 LEU 117 3.104 -28.987 24.255 1.00 31.54 ATOM 1844 HD23 LEU 117 4.375 -29.216 23.056 1.00 2.03 ATOM 1845 C LEU 117 1.466 -28.401 19.745 1.00 12.04 ATOM 1846 O LEU 117 0.406 -28.141 20.314 1.00 42.02 ATOM 1847 N ASN 118 2.180 -27.489 19.094 1.00 62.01 ATOM 1848 HN ASN 118 3.042 -27.736 18.687 1.00 37.22 ATOM 1849 CA ASN 118 1.749 -26.098 19.009 1.00 61.33 ATOM 1850 HA ASN 118 1.366 -25.796 19.977 1.00 22.04 ATOM 1851 CB ASN 118 2.933 -25.197 18.652 1.00 12.21 ATOM 1852 HB1 ASN 118 3.501 -25.664 17.860 1.00 37.22 ATOM 1853 HB2 ASN 118 3.567 -25.076 19.506 1.00 42.23 ATOM 1854 CG ASN 118 2.492 -23.829 18.168 1.00 42.13 ATOM 1855 OD1 ASN 118 2.698 -23.473 17.007 1.00 32.22 ATOM 1856 ND2 ASN 118 1.883 -23.054 19.058 1.00 72.33 ATOM 1857 HD21 ASN 118 1.727 -23.398 19.951 1.00 2.43 ATOM 1858 HD22 ASN 118 1.613 -22.156 18.774 1.00 31.11 ATOM 1859 C ASN 118 0.641 -25.935 17.973 1.00 12.22 ATOM 1860 O ASN 118 -0.372 -25.283 18.229 1.00 41.13 ATOM 1861 N LYS 119 0.839 -26.532 16.803 1.00 43.21 ATOM 1862 HN LYS 119 1.673 -27.038 16.653 1.00 37.22 ATOM 1863 CA LYS 119 -0.143 -26.455 15.728 1.00 62.21 ATOM 1864 HA LYS 119 -0.351 -25.409 15.533 1.00 20.12 ATOM 1865 CB LYS 119 0.411 -27.101 14.456 1.00 23.31 ATOM 1866 HB1 LYS 119 -0.407 -27.317 13.778 1.00 37.22 ATOM 1867 HB2 LYS 119 0.890 -28.033 14.727 1.00 34.31 ATOM 1868 CG LYS 119 1.406 -26.227 13.713 1.00 3.53 ATOM 1869 HG1 LYS 119 1.928 -25.595 14.422 1.00 37.22 ATOM 1870 HG2 LYS 119 0.875 -25.604 13.011 1.00 12.53 ATOM 1871 CD LYS 119 2.436 -27.061 12.970 1.00 51.33 ATOM 1872 HD1 LYS 119 2.963 -27.687 13.673 1.00 37.22 ATOM 1873 HD2 LYS 119 3.135 -26.399 12.482 1.00 41.52 ATOM 1874 CE LYS 119 1.783 -27.945 11.918 1.00 11.42 ATOM 1875 HE1 LYS 119 1.206 -28.713 12.411 1.00 37.22 ATOM 1876 HE2 LYS 119 2.559 -28.407 11.326 1.00 34.51 ATOM 1877 NZ LYS 119 0.890 -27.166 11.016 1.00 43.13 ATOM 1878 HZ1 LYS 119 0.659 -27.734 10.176 1.00 4.31 ATOM 1879 HZ2 LYS 119 1.353 -26.286 10.703 1.00 23.04 ATOM 1880 HZ3 LYS 119 0.003 -26.926 11.504 1.00 53.51 ATOM 1881 C LYS 119 -1.446 -27.138 16.132 1.00 64.04 ATOM 1882 O LYS 119 -2.521 -26.544 16.049 1.00 21.24 ATOM 1883 N VAL 120 -1.342 -28.389 16.569 1.00 10.13 ATOM 1884 HN VAL 120 -0.453 -28.807 16.607 1.00 37.22 ATOM 1885 CA VAL 120 -2.512 -29.152 16.988 1.00 1.55 ATOM 1886 HA VAL 120 -3.123 -29.337 16.114 1.00 1.23 ATOM 1887 CB VAL 120 -2.109 -30.507 17.600 1.00 41.50 ATOM 1888 HB VAL 120 -3.006 -31.015 17.899 1.00 23.54 ATOM 1889 CG1 VAL 120 -1.408 -31.372 16.565 1.00 65.44 ATOM 1890 HG11 VAL 120 -0.520 -30.881 16.208 1.00 51.21 ATOM 1891 HG12 VAL 120 -2.075 -31.548 15.733 1.00 10.43 ATOM 1892 HG13 VAL 120 -1.139 -32.321 17.009 1.00 10.42 ATOM 1893 CG2 VAL 120 -1.225 -30.298 18.820 1.00 25.00 ATOM 1894 HG21 VAL 120 -1.837 -30.049 19.671 1.00 4.11 ATOM 1895 HG22 VAL 120 -0.544 -29.505 18.642 1.00 11.35 ATOM 1896 HG23 VAL 120 -0.674 -31.198 19.027 1.00 0.44 ATOM 1897 C VAL 120 -3.340 -28.374 18.005 1.00 3.41 ATOM 1898 O VAL 120 -4.566 -28.478 18.035 1.00 74.12 ATOM 1899 N THR 121 -2.661 -27.591 18.839 1.00 61.43 ATOM 1900 HN THR 121 -1.678 -27.556 18.792 1.00 37.22 ATOM 1901 CA THR 121 -3.333 -26.795 19.858 1.00 22.51 ATOM 1902 HA THR 121 -4.202 -27.338 20.200 1.00 13.41 ATOM 1903 CB THR 121 -2.414 -26.539 21.067 1.00 25.22 ATOM 1904 HB THR 121 -2.867 -25.792 21.709 1.00 53.05 ATOM 1905 OG1 THR 121 -1.140 -26.059 20.622 1.00 73.05 ATOM 1906 HG1 THR 121 -1.198 -25.119 20.433 1.00 42.32 ATOM 1907 CG2 THR 121 -2.225 -27.810 21.882 1.00 10.34 ATOM 1908 HG21 THR 121 -2.822 -27.748 22.780 1.00 55.52 ATOM 1909 HG22 THR 121 -1.189 -27.922 22.151 1.00 43.31 ATOM 1910 HG23 THR 121 -2.533 -28.678 21.312 1.00 24.31 ATOM 1911 C THR 121 -3.796 -25.457 19.294 1.00 71.32 ATOM 1912 O THR 121 -4.755 -24.864 19.787 1.00 41.24 ATOM 1913 N ALA 122 -3.110 -24.988 18.257 1.00 5.23 ATOM 1914 HN ALA 122 -2.324 -25.472 17.937 1.00 37.22 ATOM 1915 CA ALA 122 -3.453 -23.721 17.624 1.00 10.53 ATOM 1916 HA ALA 122 -3.318 -22.933 18.353 1.00 32.44 ATOM 1917 CB ALA 122 -2.519 -23.444 16.455 1.00 20.15 ATOM 1918 HB1 ALA 122 -2.686 -22.441 16.092 1.00 12.33 ATOM 1919 HB2 ALA 122 -2.705 -24.149 15.658 1.00 1.21 ATOM 1920 HB3 ALA 122 -1.495 -23.538 16.785 1.00 42.51 ATOM 1921 C ALA 122 -4.904 -23.716 17.157 1.00 74.14 ATOM 1922 O ALA 122 -5.574 -22.684 17.190 1.00 13.32 ATOM 1923 N ASP 123 -5.384 -24.876 16.720 1.00 1.42 ATOM 1924 HN ASP 123 -4.801 -25.670 16.701 1.00 37.22 ATOM 1925 CA ASP 123 -6.757 -25.005 16.246 1.00 62.33 ATOM 1926 HA ASP 123 -6.927 -24.229 15.507 1.00 53.22 ATOM 1927 CB ASP 123 -6.967 -26.374 15.596 1.00 33.04 ATOM 1928 HB1 ASP 123 -7.179 -27.118 16.354 1.00 37.22 ATOM 1929 HB2 ASP 123 -6.064 -26.658 15.072 1.00 0.43 ATOM 1930 CG ASP 123 -8.102 -26.370 14.591 1.00 13.53 ATOM 1931 OD1 ASP 123 -9.136 -27.015 14.862 1.00 15.30 ATOM 1932 OD2 ASP 123 -7.956 -25.722 13.534 1.00 50.45 ATOM 1933 C ASP 123 -7.748 -24.813 17.390 1.00 65.43 ATOM 1934 O ASP 123 -8.862 -24.331 17.184 1.00 3.03 ATOM 1935 N ILE 124 -7.335 -25.195 18.594 1.00 45.14 ATOM 1936 HN ILE 124 -6.435 -25.561 18.696 1.00 37.22 ATOM 1937 CA ILE 124 -8.186 -25.065 19.770 1.00 42.55 ATOM 1938 HA ILE 124 -9.065 -25.679 19.616 1.00 22.31 ATOM 1939 CB ILE 124 -7.468 -25.554 21.041 1.00 1.43 ATOM 1940 HB ILE 124 -6.613 -24.921 21.218 1.00 1.12 ATOM 1941 CG1 ILE 124 -6.997 -26.999 20.864 1.00 51.52 ATOM 1942 HG11 ILE 124 -6.409 -27.091 19.965 1.00 37.22 ATOM 1943 HG12 ILE 124 -7.855 -27.651 20.788 1.00 24.31 ATOM 1944 CG2 ILE 124 -8.387 -25.435 22.247 1.00 14.35 ATOM 1945 HG21 ILE 124 -7.887 -25.804 23.130 1.00 63.14 ATOM 1946 HG22 ILE 124 -9.284 -26.013 22.081 1.00 3.14 ATOM 1947 HG23 ILE 124 -8.654 -24.402 22.411 1.00 0.15 ATOM 1948 CD1 ILE 124 -6.140 -27.499 22.005 1.00 21.21 ATOM 1949 HD11 ILE 124 -5.720 -28.458 21.742 1.00 41.31 ATOM 1950 HD12 ILE 124 -6.745 -27.607 22.892 1.00 14.41 ATOM 1951 HD13 ILE 124 -5.340 -26.798 22.196 1.00 4.02 ATOM 1952 C ILE 124 -8.626 -23.619 19.972 1.00 51.31 ATOM 1953 O ILE 124 -9.736 -23.355 20.433 1.00 23.45 ATOM 1954 N GLY 125 -7.748 -22.684 19.621 1.00 12.42 ATOM 1955 HN GLY 125 -6.864 -22.934 19.273 1.00 37.22 ATOM 1956 CA GLY 125 -8.065 -21.275 19.770 1.00 32.31 ATOM 1957 HA1 GLY 125 -9.117 -21.109 19.567 1.00 37.22 ATOM 1958 HA2 GLY 125 -7.485 -20.716 19.050 1.00 23.43 ATOM 1959 C GLY 125 -7.744 -20.752 21.156 1.00 44.01 ATOM 1960 O GLY 125 -8.645 -20.475 21.948 1.00 74.11 ATOM 1961 N LEU 126 -6.455 -20.617 21.451 1.00 35.23 ATOM 1962 HN LEU 126 -5.778 -20.851 20.771 1.00 37.22 ATOM 1963 HA LEU 126 -6.481 -20.730 23.515 1.00 53.14 ATOM 1964 CB LEU 126 -4.496 -20.236 22.875 1.00 44.20 ATOM 1965 HB1 LEU 126 -4.181 -19.695 23.762 1.00 37.22 ATOM 1966 HB2 LEU 126 -4.062 -19.750 22.011 1.00 2.53 ATOM 1967 CG LEU 126 -3.931 -21.654 22.962 1.00 62.12 ATOM 1968 HG LEU 126 -4.228 -22.207 22.083 1.00 52.32 ATOM 1969 CD1 LEU 126 -2.411 -21.622 23.004 1.00 40.34 ATOM 1970 HD11 LEU 126 -2.035 -21.087 22.143 1.00 71.24 ATOM 1971 HD12 LEU 126 -2.028 -22.629 22.986 1.00 23.13 ATOM 1972 HD13 LEU 126 -2.080 -21.126 23.906 1.00 72.21 ATOM 1973 CD2 LEU 126 -4.485 -22.375 24.182 1.00 5.13 ATOM 1974 HD21 LEU 126 -5.552 -22.498 24.080 1.00 43.32 ATOM 1975 HD22 LEU 126 -4.273 -21.802 25.074 1.00 43.40 ATOM 1976 HD23 LEU 126 -4.025 -23.351 24.268 1.00 44.11 ATOM 1977 CA LEU 126 -6.016 -20.125 22.752 1.00 34.05 ATOM 1978 C LEU 126 -6.451 -18.678 22.962 1.00 2.02 ATOM 1979 OT1 LEU 126 -6.117 -17.826 22.108 1.00 37.22 ATOM 1980 OT2 LEU 126 -7.123 -18.404 23.979 1.00 37.22 ATOM 1981 OH2 TIP3 1 -8.177 -45.117 16.008 0.00 0.00 WAT1 ATOM 1982 H1 TIP3 1 -8.088 -44.173 15.876 0.00 0.00 WAT1 ATOM 1983 H2 TIP3 1 -8.816 -45.392 15.350 0.00 0.00 WAT1 ATOM 1984 OH2 TIP3 2 -9.244 -45.862 19.427 0.00 0.00 WAT1 ATOM 1985 H1 TIP3 2 -9.282 -46.508 20.132 0.00 0.00 WAT1 ATOM 1986 H2 TIP3 2 -9.567 -46.328 18.656 0.00 0.00 WAT1 ATOM 1987 OH2 TIP3 3 -8.427 -37.818 17.941 0.00 0.00 WAT1 ATOM 1988 H1 TIP3 3 -7.807 -38.495 17.668 0.00 0.00 WAT1 ATOM 1989 H2 TIP3 3 -8.635 -38.036 18.849 0.00 0.00 WAT1 ATOM 1990 OH2 TIP3 4 -10.855 -43.429 19.833 0.00 0.00 WAT1 ATOM 1991 H1 TIP3 4 -10.551 -44.115 19.239 0.00 0.00 WAT1 ATOM 1992 H2 TIP3 4 -10.133 -43.311 20.451 0.00 0.00 WAT1 ATOM 1993 OH2 TIP3 5 -7.714 -49.035 20.161 0.00 0.00 WAT1 ATOM 1994 H1 TIP3 5 -7.571 -49.982 20.181 0.00 0.00 WAT1 ATOM 1995 H2 TIP3 5 -7.820 -48.828 19.232 0.00 0.00 WAT1 ATOM 1996 OH2 TIP3 6 -1.800 -50.350 22.930 0.00 0.00 WAT1 ATOM 1997 H1 TIP3 6 -2.489 -49.692 22.835 0.00 0.00 WAT1 ATOM 1998 H2 TIP3 6 -1.785 -50.547 23.867 0.00 0.00 WAT1 ATOM 1999 OH2 TIP3 7 -8.380 -42.516 15.051 0.00 0.00 WAT1 ATOM 2000 H1 TIP3 7 -8.676 -42.838 14.200 0.00 0.00 WAT1 ATOM 2001 H2 TIP3 7 -8.704 -41.616 15.093 0.00 0.00 WAT1 ATOM 2002 OH2 TIP3 8 -13.180 -44.340 21.795 0.00 0.00 WAT1 ATOM 2003 H1 TIP3 8 -13.920 -43.742 21.898 0.00 0.00 WAT1 ATOM 2004 H2 TIP3 8 -12.466 -43.786 21.479 0.00 0.00 WAT1 ATOM 2005 OH2 TIP3 9 -6.774 -39.302 16.702 0.00 0.00 WAT1 ATOM 2006 H1 TIP3 9 -6.349 -40.009 16.217 0.00 0.00 WAT1 ATOM 2007 H2 TIP3 9 -6.457 -38.501 16.285 0.00 0.00 WAT1 ATOM 2008 OH2 TIP3 10 -5.615 -41.401 15.211 0.00 0.00 WAT1 ATOM 2009 H1 TIP3 10 -5.872 -42.091 14.599 0.00 0.00 WAT1 ATOM 2010 H2 TIP3 10 -5.544 -41.844 16.056 0.00 0.00 WAT1 ATOM 2011 OH2 TIP3 11 -2.087 -46.495 21.754 0.00 0.00 WAT1 ATOM 2012 H1 TIP3 11 -2.739 -45.800 21.843 0.00 0.00 WAT1 ATOM 2013 H2 TIP3 11 -1.622 -46.285 20.944 0.00 0.00 WAT1 ATOM 2014 OH2 TIP3 12 -6.050 -45.663 14.412 0.00 0.00 WAT1 ATOM 2015 H1 TIP3 12 -6.782 -45.435 14.985 0.00 0.00 WAT1 ATOM 2016 H2 TIP3 12 -5.603 -46.377 14.867 0.00 0.00 WAT1 ATOM 2017 OH2 TIP3 13 -6.153 -47.489 23.480 0.00 0.00 WAT1 ATOM 2018 H1 TIP3 13 -6.073 -46.726 24.052 0.00 0.00 WAT1 ATOM 2019 H2 TIP3 13 -6.754 -47.210 22.789 0.00 0.00 WAT1 ATOM 2020 OH2 TIP3 14 -9.453 -39.764 15.532 0.00 0.00 WAT1 ATOM 2021 H1 TIP3 14 -8.979 -39.469 16.310 0.00 0.00 WAT1 ATOM 2022 H2 TIP3 14 -10.016 -39.026 15.299 0.00 0.00 WAT1 ATOM 2023 OH2 TIP3 15 -2.291 -40.385 10.287 0.00 0.00 WAT1 ATOM 2024 H1 TIP3 15 -2.218 -39.446 10.457 0.00 0.00 WAT1 ATOM 2025 H2 TIP3 15 -1.386 -40.690 10.230 0.00 0.00 WAT1 ATOM 2026 OH2 TIP3 16 -10.395 -40.580 24.141 0.00 0.00 WAT1 ATOM 2027 H1 TIP3 16 -10.308 -39.754 24.616 0.00 0.00 WAT1 ATOM 2028 H2 TIP3 16 -11.259 -40.910 24.390 0.00 0.00 WAT1 ATOM 2029 OH2 TIP3 17 -7.210 -37.728 13.699 0.00 0.00 WAT1 ATOM 2030 H1 TIP3 17 -8.145 -37.628 13.878 0.00 0.00 WAT1 ATOM 2031 H2 TIP3 17 -6.930 -38.437 14.277 0.00 0.00 WAT1 ATOM 2032 OH2 TIP3 18 -4.222 -48.661 25.745 0.00 0.00 WAT1 ATOM 2033 H1 TIP3 18 -4.629 -48.180 25.025 0.00 0.00 WAT1 ATOM 2034 H2 TIP3 18 -4.181 -49.566 25.438 0.00 0.00 WAT1 ATOM 2035 OH2 TIP3 19 -6.465 -50.329 23.966 0.00 0.00 WAT1 ATOM 2036 H1 TIP3 19 -6.979 -50.455 24.763 0.00 0.00 WAT1 ATOM 2037 H2 TIP3 19 -6.620 -49.417 23.721 0.00 0.00 WAT1 ATOM 2038 OH2 TIP3 20 -9.728 -48.029 26.050 0.00 0.00 WAT1 ATOM 2039 H1 TIP3 20 -10.291 -48.733 26.370 0.00 0.00 WAT1 ATOM 2040 H2 TIP3 20 -8.902 -48.149 26.517 0.00 0.00 WAT1 ATOM 2041 OH2 TIP3 21 -7.826 -48.758 17.376 0.00 0.00 WAT1 ATOM 2042 H1 TIP3 21 -8.021 -48.153 16.661 0.00 0.00 WAT1 ATOM 2043 H2 TIP3 21 -7.644 -49.592 16.941 0.00 0.00 WAT1 ATOM 2044 OH2 TIP3 22 -8.562 -47.120 22.047 0.00 0.00 WAT1 ATOM 2045 H1 TIP3 22 -8.238 -47.751 21.404 0.00 0.00 WAT1 ATOM 2046 H2 TIP3 22 -9.002 -47.655 22.708 0.00 0.00 WAT1 ATOM 2047 OH2 TIP3 23 -10.464 -48.405 18.718 0.00 0.00 WAT1 ATOM 2048 H1 TIP3 23 -9.900 -48.952 18.171 0.00 0.00 WAT1 ATOM 2049 H2 TIP3 23 -10.612 -48.927 19.507 0.00 0.00 WAT1 ATOM 2050 OH2 TIP3 24 -9.774 -43.620 24.054 0.00 0.00 WAT1 ATOM 2051 H1 TIP3 24 -10.120 -44.001 24.860 0.00 0.00 WAT1 ATOM 2052 H2 TIP3 24 -9.974 -42.686 24.125 0.00 0.00 WAT1 ATOM 2053 OH2 TIP3 25 -3.497 -40.127 12.836 0.00 0.00 WAT1 ATOM 2054 H1 TIP3 25 -3.870 -40.953 13.146 0.00 0.00 WAT1 ATOM 2055 H2 TIP3 25 -3.220 -40.310 11.939 0.00 0.00 WAT1 ATOM 2056 OH2 TIP3 26 -11.852 -39.179 21.882 0.00 0.00 WAT1 ATOM 2057 H1 TIP3 26 -11.489 -38.324 21.649 0.00 0.00 WAT1 ATOM 2058 H2 TIP3 26 -11.320 -39.471 22.623 0.00 0.00 WAT1 ATOM 2059 OH2 TIP3 27 -1.601 -37.671 10.858 0.00 0.00 WAT1 ATOM 2060 H1 TIP3 27 -0.858 -37.085 10.718 0.00 0.00 WAT1 ATOM 2061 H2 TIP3 27 -2.296 -37.103 11.191 0.00 0.00 WAT1 ATOM 2062 OH2 TIP3 28 -5.239 -43.478 12.883 0.00 0.00 WAT1 ATOM 2063 H1 TIP3 28 -5.516 -44.206 13.439 0.00 0.00 WAT1 ATOM 2064 H2 TIP3 28 -4.312 -43.359 13.089 0.00 0.00 WAT1 ATOM 2065 OH2 TIP3 29 -10.272 -49.188 23.466 0.00 0.00 WAT1 ATOM 2066 H1 TIP3 29 -10.153 -48.614 24.223 0.00 0.00 WAT1 ATOM 2067 H2 TIP3 29 -9.617 -49.876 23.581 0.00 0.00 WAT1 ATOM 2068 OH2 TIP3 30 -4.068 -51.281 24.301 0.00 0.00 WAT1 ATOM 2069 H1 TIP3 30 -4.984 -51.018 24.213 0.00 0.00 WAT1 ATOM 2070 H2 TIP3 30 -3.732 -51.284 23.404 0.00 0.00 WAT1 ATOM 2071 OH2 TIP3 31 -5.466 -47.530 18.397 0.00 0.00 WAT1 ATOM 2072 H1 TIP3 31 -6.263 -47.945 18.068 0.00 0.00 WAT1 ATOM 2073 H2 TIP3 31 -5.021 -48.221 18.888 0.00 0.00 WAT1 ATOM 2074 OH2 TIP3 32 -12.103 -43.823 26.634 0.00 0.00 WAT1 ATOM 2075 H1 TIP3 32 -12.431 -43.552 25.776 0.00 0.00 WAT1 ATOM 2076 H2 TIP3 32 -11.951 -44.764 26.546 0.00 0.00 WAT1 ATOM 2077 OH2 TIP3 33 -8.959 -45.113 27.273 0.00 0.00 WAT1 ATOM 2078 H1 TIP3 33 -8.006 -45.029 27.245 0.00 0.00 WAT1 ATOM 2079 H2 TIP3 33 -9.119 -45.824 27.892 0.00 0.00 WAT1 ATOM 2080 OH2 TIP3 34 -11.645 -46.420 22.810 0.00 0.00 WAT1 ATOM 2081 H1 TIP3 34 -10.894 -46.576 22.237 0.00 0.00 WAT1 ATOM 2082 H2 TIP3 34 -11.984 -45.568 22.534 0.00 0.00 WAT1 ATOM 2083 OH2 TIP3 35 -7.229 -48.605 27.838 0.00 0.00 WAT1 ATOM 2084 H1 TIP3 35 -7.037 -49.536 27.727 0.00 0.00 WAT1 ATOM 2085 H2 TIP3 35 -6.372 -48.180 27.828 0.00 0.00 WAT1 ATOM 2086 OH2 TIP3 36 -2.348 -44.010 13.322 0.00 0.00 WAT1 ATOM 2087 H1 TIP3 36 -1.498 -43.589 13.450 0.00 0.00 WAT1 ATOM 2088 H2 TIP3 36 -2.343 -44.750 13.930 0.00 0.00 WAT1 ATOM 2089 OH2 TIP3 37 -1.954 -45.957 15.146 0.00 0.00 WAT1 ATOM 2090 H1 TIP3 37 -2.680 -46.436 15.544 0.00 0.00 WAT1 ATOM 2091 H2 TIP3 37 -1.373 -45.751 15.878 0.00 0.00 WAT1 ATOM 2092 OH2 TIP3 38 -4.167 -47.436 15.709 0.00 0.00 WAT1 ATOM 2093 H1 TIP3 38 -4.317 -48.381 15.689 0.00 0.00 WAT1 ATOM 2094 H2 TIP3 38 -4.521 -47.155 16.553 0.00 0.00 WAT1 ATOM 2095 OH2 TIP3 39 -1.814 -47.563 26.032 0.00 0.00 WAT1 ATOM 2096 H1 TIP3 39 -2.677 -47.942 25.867 0.00 0.00 WAT1 ATOM 2097 H2 TIP3 39 -1.210 -48.302 25.958 0.00 0.00 WAT1 ATOM 2098 OH2 TIP3 40 -3.845 -49.272 19.607 0.00 0.00 WAT1 ATOM 2099 H1 TIP3 40 -2.912 -49.060 19.573 0.00 0.00 WAT1 ATOM 2100 H2 TIP3 40 -4.080 -49.170 20.530 0.00 0.00 WAT1 ATOM 2101 OH2 TIP3 41 -3.816 -48.535 22.383 0.00 0.00 WAT1 ATOM 2102 H1 TIP3 41 -4.659 -48.267 22.749 0.00 0.00 WAT1 ATOM 2103 H2 TIP3 41 -3.373 -47.713 22.172 0.00 0.00 WAT1 ATOM 2104 OH2 TIP3 42 -10.275 -38.231 25.581 0.00 0.00 WAT1 ATOM 2105 H1 TIP3 42 -10.090 -38.565 26.459 0.00 0.00 WAT1 ATOM 2106 H2 TIP3 42 -9.428 -37.922 25.259 0.00 0.00 WAT1 ATOM 2107 OH2 TIP3 43 -10.006 -36.886 20.875 0.00 0.00 WAT1 ATOM 2108 H1 TIP3 43 -10.463 -36.357 20.221 0.00 0.00 WAT1 ATOM 2109 H2 TIP3 43 -9.843 -36.283 21.600 0.00 0.00 WAT1 ATOM 2110 OH2 TIP3 44 -2.945 -37.754 13.828 0.00 0.00 WAT1 ATOM 2111 H1 TIP3 44 -3.139 -38.502 13.263 0.00 0.00 WAT1 ATOM 2112 H2 TIP3 44 -2.984 -36.996 13.244 0.00 0.00 WAT1 ATOM 2113 OH2 TIP3 45 -5.538 -42.923 36.585 0.00 0.00 WAT1 ATOM 2114 H1 TIP3 45 -5.979 -43.643 37.035 0.00 0.00 WAT1 ATOM 2115 H2 TIP3 45 -5.551 -42.202 37.215 0.00 0.00 WAT1 ATOM 2116 OH2 TIP3 46 -8.427 -37.818 36.797 0.00 0.00 WAT1 ATOM 2117 H1 TIP3 46 -7.807 -38.495 36.524 0.00 0.00 WAT1 ATOM 2118 H2 TIP3 46 -8.635 -38.036 37.705 0.00 0.00 WAT1 ATOM 2119 OH2 TIP3 47 -6.774 -39.302 35.558 0.00 0.00 WAT1 ATOM 2120 H1 TIP3 47 -6.349 -40.009 35.073 0.00 0.00 WAT1 ATOM 2121 H2 TIP3 47 -6.457 -38.501 35.141 0.00 0.00 WAT1 ATOM 2122 OH2 TIP3 48 -5.615 -41.401 34.067 0.00 0.00 WAT1 ATOM 2123 H1 TIP3 48 -5.872 -42.091 33.455 0.00 0.00 WAT1 ATOM 2124 H2 TIP3 48 -5.544 -41.844 34.912 0.00 0.00 WAT1 ATOM 2125 OH2 TIP3 49 -3.929 -42.835 42.544 0.00 0.00 WAT1 ATOM 2126 H1 TIP3 49 -3.789 -43.426 41.805 0.00 0.00 WAT1 ATOM 2127 H2 TIP3 49 -3.761 -41.962 42.188 0.00 0.00 WAT1 ATOM 2128 OH2 TIP3 50 -2.087 -46.495 40.610 0.00 0.00 WAT1 ATOM 2129 H1 TIP3 50 -2.739 -45.800 40.699 0.00 0.00 WAT1 ATOM 2130 H2 TIP3 50 -1.622 -46.285 39.800 0.00 0.00 WAT1 ATOM 2131 OH2 TIP3 51 -7.729 -40.761 39.518 0.00 0.00 WAT1 ATOM 2132 H1 TIP3 51 -7.970 -40.099 40.166 0.00 0.00 WAT1 ATOM 2133 H2 TIP3 51 -7.927 -41.595 39.943 0.00 0.00 WAT1 ATOM 2134 OH2 TIP3 52 -9.453 -39.764 34.388 0.00 0.00 WAT1 ATOM 2135 H1 TIP3 52 -8.979 -39.469 35.166 0.00 0.00 WAT1 ATOM 2136 H2 TIP3 52 -10.016 -39.026 34.155 0.00 0.00 WAT1 ATOM 2137 OH2 TIP3 53 -1.374 -40.154 44.121 0.00 0.00 WAT1 ATOM 2138 H1 TIP3 53 -1.423 -41.109 44.084 0.00 0.00 WAT1 ATOM 2139 H2 TIP3 53 -2.200 -39.886 44.523 0.00 0.00 WAT1 ATOM 2140 OH2 TIP3 54 -9.981 -36.808 32.803 0.00 0.00 WAT1 ATOM 2141 H1 TIP3 54 -10.056 -36.929 31.857 0.00 0.00 WAT1 ATOM 2142 H2 TIP3 54 -9.948 -35.858 32.922 0.00 0.00 WAT1 ATOM 2143 OH2 TIP3 55 -6.879 -37.654 29.806 0.00 0.00 WAT1 ATOM 2144 H1 TIP3 55 -6.504 -38.398 29.335 0.00 0.00 WAT1 ATOM 2145 H2 TIP3 55 -6.875 -37.924 30.724 0.00 0.00 WAT1 ATOM 2146 OH2 TIP3 56 -7.210 -37.728 32.555 0.00 0.00 WAT1 ATOM 2147 H1 TIP3 56 -8.145 -37.628 32.734 0.00 0.00 WAT1 ATOM 2148 H2 TIP3 56 -6.930 -38.437 33.133 0.00 0.00 WAT1 ATOM 2149 OH2 TIP3 57 -5.702 -45.468 28.583 0.00 0.00 WAT1 ATOM 2150 H1 TIP3 57 -5.660 -45.691 27.653 0.00 0.00 WAT1 ATOM 2151 H2 TIP3 57 -4.853 -45.070 28.773 0.00 0.00 WAT1 ATOM 2152 OH2 TIP3 58 -4.092 -36.286 45.228 0.00 0.00 WAT1 ATOM 2153 H1 TIP3 58 -3.892 -35.862 44.393 0.00 0.00 WAT1 ATOM 2154 H2 TIP3 58 -3.436 -35.943 45.835 0.00 0.00 WAT1 ATOM 2155 OH2 TIP3 59 -4.144 -44.671 40.459 0.00 0.00 WAT1 ATOM 2156 H1 TIP3 59 -3.502 -44.214 39.916 0.00 0.00 WAT1 ATOM 2157 H2 TIP3 59 -4.974 -44.558 39.997 0.00 0.00 WAT1 ATOM 2158 OH2 TIP3 60 -7.524 -41.158 42.860 0.00 0.00 WAT1 ATOM 2159 H1 TIP3 60 -8.425 -40.975 42.592 0.00 0.00 WAT1 ATOM 2160 H2 TIP3 60 -7.490 -40.899 43.781 0.00 0.00 WAT1 ATOM 2161 OH2 TIP3 61 -1.793 -48.913 31.227 0.00 0.00 WAT1 ATOM 2162 H1 TIP3 61 -2.347 -49.309 30.555 0.00 0.00 WAT1 ATOM 2163 H2 TIP3 61 -1.692 -48.003 30.950 0.00 0.00 WAT1 ATOM 2164 OH2 TIP3 62 -1.829 -43.113 44.064 0.00 0.00 WAT1 ATOM 2165 H1 TIP3 62 -2.681 -42.875 43.697 0.00 0.00 WAT1 ATOM 2166 H2 TIP3 62 -1.239 -43.130 43.311 0.00 0.00 WAT1 ATOM 2167 OH2 TIP3 63 -3.497 -40.127 31.692 0.00 0.00 WAT1 ATOM 2168 H1 TIP3 63 -3.870 -40.953 32.002 0.00 0.00 WAT1 ATOM 2169 H2 TIP3 63 -3.220 -40.310 30.795 0.00 0.00 WAT1 ATOM 2170 OH2 TIP3 64 -6.337 -45.319 38.714 0.00 0.00 WAT1 ATOM 2171 H1 TIP3 64 -7.265 -45.551 38.687 0.00 0.00 WAT1 ATOM 2172 H2 TIP3 64 -5.886 -46.096 38.384 0.00 0.00 WAT1 ATOM 2173 OH2 TIP3 65 -8.308 -43.080 40.439 0.00 0.00 WAT1 ATOM 2174 H1 TIP3 65 -8.734 -43.307 41.265 0.00 0.00 WAT1 ATOM 2175 H2 TIP3 65 -7.727 -43.818 40.256 0.00 0.00 WAT1 ATOM 2176 OH2 TIP3 66 -6.105 -42.151 29.513 0.00 0.00 WAT1 ATOM 2177 H1 TIP3 66 -5.752 -42.531 30.317 0.00 0.00 WAT1 ATOM 2178 H2 TIP3 66 -7.054 -42.244 29.599 0.00 0.00 WAT1 ATOM 2179 OH2 TIP3 67 -5.649 -38.528 42.908 0.00 0.00 WAT1 ATOM 2180 H1 TIP3 67 -6.251 -39.083 42.413 0.00 0.00 WAT1 ATOM 2181 H2 TIP3 67 -5.368 -37.861 42.282 0.00 0.00 WAT1 ATOM 2182 OH2 TIP3 68 -5.239 -43.478 31.739 0.00 0.00 WAT1 ATOM 2183 H1 TIP3 68 -5.516 -44.206 32.295 0.00 0.00 WAT1 ATOM 2184 H2 TIP3 68 -4.312 -43.359 31.945 0.00 0.00 WAT1 ATOM 2185 OH2 TIP3 69 -9.976 -39.176 28.098 0.00 0.00 WAT1 ATOM 2186 H1 TIP3 69 -10.620 -39.807 28.420 0.00 0.00 WAT1 ATOM 2187 H2 TIP3 69 -9.214 -39.707 27.866 0.00 0.00 WAT1 ATOM 2188 OH2 TIP3 70 -9.065 -42.402 27.925 0.00 0.00 WAT1 ATOM 2189 H1 TIP3 70 -9.333 -42.222 28.826 0.00 0.00 WAT1 ATOM 2190 H2 TIP3 70 -9.271 -43.328 27.794 0.00 0.00 WAT1 ATOM 2191 OH2 TIP3 71 -6.368 -43.907 42.873 0.00 0.00 WAT1 ATOM 2192 H1 TIP3 71 -5.623 -43.319 42.753 0.00 0.00 WAT1 ATOM 2193 H2 TIP3 71 -7.125 -43.325 42.936 0.00 0.00 WAT1 ATOM 2194 OH2 TIP3 72 -2.807 -44.879 28.203 0.00 0.00 WAT1 ATOM 2195 H1 TIP3 72 -3.080 -45.304 27.390 0.00 0.00 WAT1 ATOM 2196 H2 TIP3 72 -2.767 -43.948 27.986 0.00 0.00 WAT1 ATOM 2197 OH2 TIP3 73 -3.649 -42.267 46.664 0.00 0.00 WAT1 ATOM 2198 H1 TIP3 73 -4.515 -42.372 47.058 0.00 0.00 WAT1 ATOM 2199 H2 TIP3 73 -3.273 -41.508 47.111 0.00 0.00 WAT1 ATOM 2200 OH2 TIP3 74 -2.348 -44.010 32.178 0.00 0.00 WAT1 ATOM 2201 H1 TIP3 74 -1.498 -43.589 32.306 0.00 0.00 WAT1 ATOM 2202 H2 TIP3 74 -2.343 -44.750 32.786 0.00 0.00 WAT1 ATOM 2203 OH2 TIP3 75 -1.954 -45.957 34.002 0.00 0.00 WAT1 ATOM 2204 H1 TIP3 75 -2.680 -46.436 34.400 0.00 0.00 WAT1 ATOM 2205 H2 TIP3 75 -1.373 -45.751 34.734 0.00 0.00 WAT1 ATOM 2206 OH2 TIP3 76 -1.686 -46.056 30.393 0.00 0.00 WAT1 ATOM 2207 H1 TIP3 76 -2.207 -45.699 29.674 0.00 0.00 WAT1 ATOM 2208 H2 TIP3 76 -1.719 -45.381 31.071 0.00 0.00 WAT1 ATOM 2209 OH2 TIP3 77 -3.337 -48.816 28.944 0.00 0.00 WAT1 ATOM 2210 H1 TIP3 77 -3.240 -48.149 28.264 0.00 0.00 WAT1 ATOM 2211 H2 TIP3 77 -3.477 -49.632 28.462 0.00 0.00 WAT1 ATOM 2212 OH2 TIP3 78 -3.311 -45.466 44.204 0.00 0.00 WAT1 ATOM 2213 H1 TIP3 78 -2.728 -46.200 44.395 0.00 0.00 WAT1 ATOM 2214 H2 TIP3 78 -2.747 -44.694 44.250 0.00 0.00 WAT1 ATOM 2215 OH2 TIP3 79 -7.930 -36.946 43.681 0.00 0.00 WAT1 ATOM 2216 H1 TIP3 79 -7.253 -37.578 43.441 0.00 0.00 WAT1 ATOM 2217 H2 TIP3 79 -7.608 -36.544 44.489 0.00 0.00 WAT1 ATOM 2218 OH2 TIP3 80 -7.679 -38.008 40.676 0.00 0.00 WAT1 ATOM 2219 H1 TIP3 80 -8.583 -37.843 40.410 0.00 0.00 WAT1 ATOM 2220 H2 TIP3 80 -7.250 -37.155 40.610 0.00 0.00 WAT1 ATOM 2221 OH2 TIP3 81 -5.074 -36.438 40.971 0.00 0.00 WAT1 ATOM 2222 H1 TIP3 81 -5.256 -35.522 40.760 0.00 0.00 WAT1 ATOM 2223 H2 TIP3 81 -4.898 -36.848 40.124 0.00 0.00 WAT1 ATOM 2224 OH2 TIP3 82 -9.654 -37.317 30.004 0.00 0.00 WAT1 ATOM 2225 H1 TIP3 82 -8.788 -36.951 29.826 0.00 0.00 WAT1 ATOM 2226 H2 TIP3 82 -9.901 -37.757 29.191 0.00 0.00 WAT1 ATOM 2227 OH2 TIP3 83 -3.727 -39.003 44.834 0.00 0.00 WAT1 ATOM 2228 H1 TIP3 83 -4.509 -39.189 44.314 0.00 0.00 WAT1 ATOM 2229 H2 TIP3 83 -3.799 -38.074 45.051 0.00 0.00 WAT1 ATOM 2230 OH2 TIP3 84 -1.374 -21.298 6.409 0.00 0.00 WAT1 ATOM 2231 H1 TIP3 84 -1.423 -22.253 6.372 0.00 0.00 WAT1 ATOM 2232 H2 TIP3 84 -2.200 -21.030 6.811 0.00 0.00 WAT1 ATOM 2233 OH2 TIP3 85 -4.222 -29.805 6.889 0.00 0.00 WAT1 ATOM 2234 H1 TIP3 85 -4.629 -29.324 6.169 0.00 0.00 WAT1 ATOM 2235 H2 TIP3 85 -4.181 -30.710 6.582 0.00 0.00 WAT1 ATOM 2236 OH2 TIP3 86 -9.728 -29.173 7.194 0.00 0.00 WAT1 ATOM 2237 H1 TIP3 86 -10.291 -29.877 7.514 0.00 0.00 WAT1 ATOM 2238 H2 TIP3 86 -8.902 -29.293 7.661 0.00 0.00 WAT1 ATOM 2239 OH2 TIP3 87 -12.144 -27.675 7.258 0.00 0.00 WAT1 ATOM 2240 H1 TIP3 87 -12.440 -27.841 6.363 0.00 0.00 WAT1 ATOM 2241 H2 TIP3 87 -11.213 -27.895 7.248 0.00 0.00 WAT1 ATOM 2242 OH2 TIP3 88 -1.829 -24.257 6.352 0.00 0.00 WAT1 ATOM 2243 H1 TIP3 88 -2.681 -24.019 5.985 0.00 0.00 WAT1 ATOM 2244 H2 TIP3 88 -1.239 -24.274 5.599 0.00 0.00 WAT1 ATOM 2245 OH2 TIP3 89 -7.491 -21.448 7.740 0.00 0.00 WAT1 ATOM 2246 H1 TIP3 89 -7.842 -22.304 7.983 0.00 0.00 WAT1 ATOM 2247 H2 TIP3 89 -6.765 -21.305 8.347 0.00 0.00 WAT1 ATOM 2248 OH2 TIP3 90 -12.103 -24.967 7.778 0.00 0.00 WAT1 ATOM 2249 H1 TIP3 90 -12.431 -24.696 6.920 0.00 0.00 WAT1 ATOM 2250 H2 TIP3 90 -11.951 -25.908 7.690 0.00 0.00 WAT1 ATOM 2251 OH2 TIP3 91 -8.959 -26.257 8.417 0.00 0.00 WAT1 ATOM 2252 H1 TIP3 91 -8.006 -26.173 8.389 0.00 0.00 WAT1 ATOM 2253 H2 TIP3 91 -9.119 -26.968 9.036 0.00 0.00 WAT1 ATOM 2254 OH2 TIP3 92 -7.229 -29.749 8.982 0.00 0.00 WAT1 ATOM 2255 H1 TIP3 92 -7.037 -30.680 8.871 0.00 0.00 WAT1 ATOM 2256 H2 TIP3 92 -6.372 -29.324 8.972 0.00 0.00 WAT1 ATOM 2257 OH2 TIP3 93 -5.913 -26.960 7.060 0.00 0.00 WAT1 ATOM 2258 H1 TIP3 93 -6.194 -26.251 6.482 0.00 0.00 WAT1 ATOM 2259 H2 TIP3 93 -4.970 -27.033 6.909 0.00 0.00 WAT1 ATOM 2260 OH2 TIP3 94 -3.649 -23.411 8.952 0.00 0.00 WAT1 ATOM 2261 H1 TIP3 94 -4.515 -23.516 9.346 0.00 0.00 WAT1 ATOM 2262 H2 TIP3 94 -3.273 -22.652 9.399 0.00 0.00 WAT1 ATOM 2263 OH2 TIP3 95 -3.311 -26.610 6.492 0.00 0.00 WAT1 ATOM 2264 H1 TIP3 95 -2.728 -27.344 6.683 0.00 0.00 WAT1 ATOM 2265 H2 TIP3 95 -2.747 -25.838 6.538 0.00 0.00 WAT1 ATOM 2266 OH2 TIP3 96 -1.814 -28.707 7.176 0.00 0.00 WAT1 ATOM 2267 H1 TIP3 96 -2.677 -29.086 7.011 0.00 0.00 WAT1 ATOM 2268 H2 TIP3 96 -1.210 -29.446 7.102 0.00 0.00 WAT1 ATOM 2269 OH2 TIP3 97 -15.952 -22.941 19.555 0.00 0.00 WAT1 ATOM 2270 H1 TIP3 97 -16.322 -23.743 19.186 0.00 0.00 WAT1 ATOM 2271 H2 TIP3 97 -15.011 -23.110 19.602 0.00 0.00 WAT1 ATOM 2272 OH2 TIP3 98 -14.559 -32.078 17.433 0.00 0.00 WAT1 ATOM 2273 H1 TIP3 98 -14.516 -31.218 17.015 0.00 0.00 WAT1 ATOM 2274 H2 TIP3 98 -15.017 -32.630 16.800 0.00 0.00 WAT1 ATOM 2275 OH2 TIP3 99 -6.837 -31.947 15.834 0.00 0.00 WAT1 ATOM 2276 H1 TIP3 99 -6.191 -32.276 16.459 0.00 0.00 WAT1 ATOM 2277 H2 TIP3 99 -6.327 -31.429 15.211 0.00 0.00 WAT1 ATOM 2278 OH2 TIP3 100 -12.783 -28.131 17.411 0.00 0.00 WAT1 ATOM 2279 H1 TIP3 100 -12.167 -28.657 17.920 0.00 0.00 WAT1 ATOM 2280 H2 TIP3 100 -13.369 -28.771 17.007 0.00 0.00 WAT1 ATOM 2281 OH2 TIP3 101 -13.180 -25.484 21.795 0.00 0.00 WAT1 ATOM 2282 H1 TIP3 101 -13.920 -24.886 21.898 0.00 0.00 WAT1 ATOM 2283 H2 TIP3 101 -12.466 -24.930 21.479 0.00 0.00 WAT1 ATOM 2284 OH2 TIP3 102 -14.772 -23.520 22.582 0.00 0.00 WAT1 ATOM 2285 H1 TIP3 102 -14.778 -22.641 22.204 0.00 0.00 WAT1 ATOM 2286 H2 TIP3 102 -15.626 -23.603 23.007 0.00 0.00 WAT1 ATOM 2287 OH2 TIP3 103 -11.723 -35.854 18.960 0.00 0.00 WAT1 ATOM 2288 H1 TIP3 103 -11.840 -36.803 18.906 0.00 0.00 WAT1 ATOM 2289 H2 TIP3 103 -12.578 -35.522 19.233 0.00 0.00 WAT1 ATOM 2290 OH2 TIP3 104 -9.402 -28.559 10.499 0.00 0.00 WAT1 ATOM 2291 H1 TIP3 104 -8.701 -28.537 11.150 0.00 0.00 WAT1 ATOM 2292 H2 TIP3 104 -9.100 -29.187 9.843 0.00 0.00 WAT1 ATOM 2293 OH2 TIP3 105 -14.405 -26.177 16.295 0.00 0.00 WAT1 ATOM 2294 H1 TIP3 105 -14.735 -26.547 15.476 0.00 0.00 WAT1 ATOM 2295 H2 TIP3 105 -13.817 -26.847 16.641 0.00 0.00 WAT1 ATOM 2296 OH2 TIP3 106 -14.038 -27.408 19.928 0.00 0.00 WAT1 ATOM 2297 H1 TIP3 106 -13.473 -27.287 19.165 0.00 0.00 WAT1 ATOM 2298 H2 TIP3 106 -13.719 -26.771 20.567 0.00 0.00 WAT1 ATOM 2299 OH2 TIP3 107 -13.158 -23.009 24.645 0.00 0.00 WAT1 ATOM 2300 H1 TIP3 107 -13.470 -22.227 25.101 0.00 0.00 WAT1 ATOM 2301 H2 TIP3 107 -13.808 -23.162 23.959 0.00 0.00 WAT1 ATOM 2302 OH2 TIP3 108 -14.919 -20.937 25.409 0.00 0.00 WAT1 ATOM 2303 H1 TIP3 108 -14.911 -21.073 24.461 0.00 0.00 WAT1 ATOM 2304 H2 TIP3 108 -15.835 -21.055 25.661 0.00 0.00 WAT1 ATOM 2305 OH2 TIP3 109 -3.481 -35.895 11.910 0.00 0.00 WAT1 ATOM 2306 H1 TIP3 109 -4.380 -35.756 12.205 0.00 0.00 WAT1 ATOM 2307 H2 TIP3 109 -3.229 -35.064 11.508 0.00 0.00 WAT1 ATOM 2308 OH2 TIP3 110 -15.415 -27.107 13.884 0.00 0.00 WAT1 ATOM 2309 H1 TIP3 110 -15.707 -26.339 13.393 0.00 0.00 WAT1 ATOM 2310 H2 TIP3 110 -16.089 -27.767 13.721 0.00 0.00 WAT1 ATOM 2311 OH2 TIP3 111 -2.291 -21.529 10.287 0.00 0.00 WAT1 ATOM 2312 H1 TIP3 111 -2.218 -20.590 10.457 0.00 0.00 WAT1 ATOM 2313 H2 TIP3 111 -1.386 -21.834 10.230 0.00 0.00 WAT1 ATOM 2314 OH2 TIP3 112 -9.981 -17.952 13.947 0.00 0.00 WAT1 ATOM 2315 H1 TIP3 112 -10.056 -18.073 13.001 0.00 0.00 WAT1 ATOM 2316 H2 TIP3 112 -9.948 -17.002 14.066 0.00 0.00 WAT1 ATOM 2317 OH2 TIP3 113 -6.879 -18.798 10.950 0.00 0.00 WAT1 ATOM 2318 H1 TIP3 113 -6.504 -19.542 10.479 0.00 0.00 WAT1 ATOM 2319 H2 TIP3 113 -6.875 -19.068 11.868 0.00 0.00 WAT1 ATOM 2320 OH2 TIP3 114 -7.210 -18.872 13.699 0.00 0.00 WAT1 ATOM 2321 H1 TIP3 114 -8.145 -18.772 13.878 0.00 0.00 WAT1 ATOM 2322 H2 TIP3 114 -6.930 -19.581 14.277 0.00 0.00 WAT1 ATOM 2323 OH2 TIP3 115 -9.791 -35.229 23.112 0.00 0.00 WAT1 ATOM 2324 H1 TIP3 115 -9.371 -35.644 23.865 0.00 0.00 WAT1 ATOM 2325 H2 TIP3 115 -10.724 -35.407 23.229 0.00 0.00 WAT1 ATOM 2326 OH2 TIP3 116 -5.702 -26.612 9.727 0.00 0.00 WAT1 ATOM 2327 H1 TIP3 116 -5.660 -26.835 8.797 0.00 0.00 WAT1 ATOM 2328 H2 TIP3 116 -4.853 -26.214 9.917 0.00 0.00 WAT1 ATOM 2329 OH2 TIP3 117 -10.129 -32.736 10.397 0.00 0.00 WAT1 ATOM 2330 H1 TIP3 117 -10.383 -32.717 11.320 0.00 0.00 WAT1 ATOM 2331 H2 TIP3 117 -10.386 -33.608 10.096 0.00 0.00 WAT1 ATOM 2332 OH2 TIP3 118 -14.363 -29.985 20.833 0.00 0.00 WAT1 ATOM 2333 H1 TIP3 118 -15.005 -30.026 21.542 0.00 0.00 WAT1 ATOM 2334 H2 TIP3 118 -14.326 -29.059 20.595 0.00 0.00 WAT1 ATOM 2335 OH2 TIP3 119 -14.366 -29.764 15.745 0.00 0.00 WAT1 ATOM 2336 H1 TIP3 119 -15.259 -30.105 15.686 0.00 0.00 WAT1 ATOM 2337 H2 TIP3 119 -13.915 -30.141 14.989 0.00 0.00 WAT1 ATOM 2338 OH2 TIP3 120 -9.728 -29.173 26.050 0.00 0.00 WAT1 ATOM 2339 H1 TIP3 120 -10.291 -29.877 26.370 0.00 0.00 WAT1 ATOM 2340 H2 TIP3 120 -8.902 -29.293 26.517 0.00 0.00 WAT1 ATOM 2341 OH2 TIP3 121 -11.784 -32.337 16.831 0.00 0.00 WAT1 ATOM 2342 H1 TIP3 121 -12.695 -32.280 17.120 0.00 0.00 WAT1 ATOM 2343 H2 TIP3 121 -11.279 -32.397 17.642 0.00 0.00 WAT1 ATOM 2344 OH2 TIP3 122 -13.303 -30.708 13.314 0.00 0.00 WAT1 ATOM 2345 H1 TIP3 122 -12.371 -30.579 13.492 0.00 0.00 WAT1 ATOM 2346 H2 TIP3 122 -13.518 -30.038 12.665 0.00 0.00 WAT1 ATOM 2347 OH2 TIP3 123 -7.379 -33.102 20.095 0.00 0.00 WAT1 ATOM 2348 H1 TIP3 123 -8.056 -32.971 20.759 0.00 0.00 WAT1 ATOM 2349 H2 TIP3 123 -7.865 -33.257 19.285 0.00 0.00 WAT1 ATOM 2350 OH2 TIP3 124 -14.629 -29.513 10.881 0.00 0.00 WAT1 ATOM 2351 H1 TIP3 124 -15.171 -29.893 10.190 0.00 0.00 WAT1 ATOM 2352 H2 TIP3 124 -13.795 -29.319 10.452 0.00 0.00 WAT1 ATOM 2353 OH2 TIP3 125 -10.464 -29.549 18.718 0.00 0.00 WAT1 ATOM 2354 H1 TIP3 125 -9.900 -30.096 18.171 0.00 0.00 WAT1 ATOM 2355 H2 TIP3 125 -10.612 -30.071 19.507 0.00 0.00 WAT1 ATOM 2356 OH2 TIP3 126 -11.838 -31.161 21.132 0.00 0.00 WAT1 ATOM 2357 H1 TIP3 126 -12.673 -30.707 21.242 0.00 0.00 WAT1 ATOM 2358 H2 TIP3 126 -11.314 -30.885 21.884 0.00 0.00 WAT1 ATOM 2359 OH2 TIP3 127 -7.396 -32.134 11.016 0.00 0.00 WAT1 ATOM 2360 H1 TIP3 127 -8.334 -32.022 10.865 0.00 0.00 WAT1 ATOM 2361 H2 TIP3 127 -7.099 -31.277 11.322 0.00 0.00 WAT1 ATOM 2362 OH2 TIP3 128 -6.678 -30.267 12.677 0.00 0.00 WAT1 ATOM 2363 H1 TIP3 128 -5.786 -30.404 12.996 0.00 0.00 WAT1 ATOM 2364 H2 TIP3 128 -6.621 -29.476 12.140 0.00 0.00 WAT1 ATOM 2365 OH2 TIP3 129 -16.169 -25.653 18.586 0.00 0.00 WAT1 ATOM 2366 H1 TIP3 129 -15.424 -25.655 17.985 0.00 0.00 WAT1 ATOM 2367 H2 TIP3 129 -16.091 -26.477 19.068 0.00 0.00 WAT1 ATOM 2368 OH2 TIP3 130 -12.144 -27.675 26.114 0.00 0.00 WAT1 ATOM 2369 H1 TIP3 130 -12.440 -27.841 25.219 0.00 0.00 WAT1 ATOM 2370 H2 TIP3 130 -11.213 -27.895 26.104 0.00 0.00 WAT1 ATOM 2371 OH2 TIP3 131 -1.793 -30.057 12.371 0.00 0.00 WAT1 ATOM 2372 H1 TIP3 131 -2.347 -30.453 11.699 0.00 0.00 WAT1 ATOM 2373 H2 TIP3 131 -1.692 -29.147 12.094 0.00 0.00 WAT1 ATOM 2374 OH2 TIP3 132 -3.497 -21.271 12.836 0.00 0.00 WAT1 ATOM 2375 H1 TIP3 132 -3.870 -22.097 13.146 0.00 0.00 WAT1 ATOM 2376 H2 TIP3 132 -3.220 -21.454 11.939 0.00 0.00 WAT1 ATOM 2377 OH2 TIP3 133 -13.794 -22.135 15.991 0.00 0.00 WAT1 ATOM 2378 H1 TIP3 133 -13.267 -21.362 15.790 0.00 0.00 WAT1 ATOM 2379 H2 TIP3 133 -14.674 -21.910 15.689 0.00 0.00 WAT1 ATOM 2380 OH2 TIP3 134 -13.683 -19.450 15.112 0.00 0.00 WAT1 ATOM 2381 H1 TIP3 134 -14.633 -19.345 15.164 0.00 0.00 WAT1 ATOM 2382 H2 TIP3 134 -13.332 -18.630 15.457 0.00 0.00 WAT1 ATOM 2383 OH2 TIP3 135 -6.105 -23.295 10.657 0.00 0.00 WAT1 ATOM 2384 H1 TIP3 135 -5.752 -23.675 11.461 0.00 0.00 WAT1 ATOM 2385 H2 TIP3 135 -7.054 -23.388 10.743 0.00 0.00 WAT1 ATOM 2386 OH2 TIP3 136 -1.601 -18.815 10.858 0.00 0.00 WAT1 ATOM 2387 H1 TIP3 136 -0.858 -18.229 10.718 0.00 0.00 WAT1 ATOM 2388 H2 TIP3 136 -2.296 -18.247 11.191 0.00 0.00 WAT1 ATOM 2389 OH2 TIP3 137 -12.014 -22.183 9.104 0.00 0.00 WAT1 ATOM 2390 H1 TIP3 137 -11.775 -22.931 8.556 0.00 0.00 WAT1 ATOM 2391 H2 TIP3 137 -12.283 -22.571 9.936 0.00 0.00 WAT1 ATOM 2392 OH2 TIP3 138 -13.077 -22.613 11.560 0.00 0.00 WAT1 ATOM 2393 H1 TIP3 138 -12.930 -23.133 12.350 0.00 0.00 WAT1 ATOM 2394 H2 TIP3 138 -13.080 -21.706 11.866 0.00 0.00 WAT1 ATOM 2395 OH2 TIP3 139 -8.792 -32.698 22.349 0.00 0.00 WAT1 ATOM 2396 H1 TIP3 139 -8.094 -32.624 22.999 0.00 0.00 WAT1 ATOM 2397 H2 TIP3 139 -9.173 -33.562 22.504 0.00 0.00 WAT1 ATOM 2398 OH2 TIP3 140 -8.008 -33.046 13.446 0.00 0.00 WAT1 ATOM 2399 H1 TIP3 140 -7.788 -32.574 12.643 0.00 0.00 WAT1 ATOM 2400 H2 TIP3 140 -7.450 -32.651 14.117 0.00 0.00 WAT1 ATOM 2401 OH2 TIP3 141 -10.339 -20.915 12.309 0.00 0.00 WAT1 ATOM 2402 H1 TIP3 141 -11.156 -20.418 12.362 0.00 0.00 WAT1 ATOM 2403 H2 TIP3 141 -9.810 -20.440 11.669 0.00 0.00 WAT1 ATOM 2404 OH2 TIP3 142 -10.808 -31.318 14.281 0.00 0.00 WAT1 ATOM 2405 H1 TIP3 142 -9.996 -30.814 14.327 0.00 0.00 WAT1 ATOM 2406 H2 TIP3 142 -11.053 -31.463 15.195 0.00 0.00 WAT1 ATOM 2407 OH2 TIP3 143 -10.272 -30.332 23.466 0.00 0.00 WAT1 ATOM 2408 H1 TIP3 143 -10.153 -29.758 24.223 0.00 0.00 WAT1 ATOM 2409 H2 TIP3 143 -9.617 -31.020 23.581 0.00 0.00 WAT1 ATOM 2410 OH2 TIP3 144 -9.924 -34.237 15.219 0.00 0.00 WAT1 ATOM 2411 H1 TIP3 144 -10.271 -33.619 15.864 0.00 0.00 WAT1 ATOM 2412 H2 TIP3 144 -9.266 -33.736 14.738 0.00 0.00 WAT1 ATOM 2413 OH2 TIP3 145 -13.001 -19.872 12.291 0.00 0.00 WAT1 ATOM 2414 H1 TIP3 145 -12.840 -19.072 11.790 0.00 0.00 WAT1 ATOM 2415 H2 TIP3 145 -13.198 -19.565 13.176 0.00 0.00 WAT1 ATOM 2416 OH2 TIP3 146 -9.976 -20.320 9.242 0.00 0.00 WAT1 ATOM 2417 H1 TIP3 146 -10.620 -20.951 9.564 0.00 0.00 WAT1 ATOM 2418 H2 TIP3 146 -9.214 -20.851 9.010 0.00 0.00 WAT1 ATOM 2419 OH2 TIP3 147 -5.372 -20.503 9.476 0.00 0.00 WAT1 ATOM 2420 H1 TIP3 147 -5.089 -21.297 9.929 0.00 0.00 WAT1 ATOM 2421 H2 TIP3 147 -4.632 -20.270 8.915 0.00 0.00 WAT1 ATOM 2422 OH2 TIP3 148 -14.417 -24.593 9.333 0.00 0.00 WAT1 ATOM 2423 H1 TIP3 148 -14.353 -25.387 9.864 0.00 0.00 WAT1 ATOM 2424 H2 TIP3 148 -13.764 -24.712 8.644 0.00 0.00 WAT1 ATOM 2425 OH2 TIP3 149 -12.103 -24.967 26.634 0.00 0.00 WAT1 ATOM 2426 H1 TIP3 149 -12.431 -24.696 25.776 0.00 0.00 WAT1 ATOM 2427 H2 TIP3 149 -11.951 -25.908 26.546 0.00 0.00 WAT1 ATOM 2428 OH2 TIP3 150 -9.065 -23.546 9.069 0.00 0.00 WAT1 ATOM 2429 H1 TIP3 150 -9.333 -23.366 9.970 0.00 0.00 WAT1 ATOM 2430 H2 TIP3 150 -9.271 -24.472 8.938 0.00 0.00 WAT1 ATOM 2431 OH2 TIP3 151 -13.268 -26.621 11.639 0.00 0.00 WAT1 ATOM 2432 H1 TIP3 151 -13.727 -27.105 12.325 0.00 0.00 WAT1 ATOM 2433 H2 TIP3 151 -13.013 -27.289 11.003 0.00 0.00 WAT1 ATOM 2434 OH2 TIP3 152 -13.979 -28.728 23.995 0.00 0.00 WAT1 ATOM 2435 H1 TIP3 152 -14.597 -28.053 24.276 0.00 0.00 WAT1 ATOM 2436 H2 TIP3 152 -13.635 -28.407 23.162 0.00 0.00 WAT1 ATOM 2437 OH2 TIP3 153 -12.197 -28.378 9.902 0.00 0.00 WAT1 ATOM 2438 H1 TIP3 153 -12.377 -28.532 8.974 0.00 0.00 WAT1 ATOM 2439 H2 TIP3 153 -11.246 -28.270 9.946 0.00 0.00 WAT1 ATOM 2440 OH2 TIP3 154 -8.959 -26.257 27.273 0.00 0.00 WAT1 ATOM 2441 H1 TIP3 154 -8.006 -26.173 27.245 0.00 0.00 WAT1 ATOM 2442 H2 TIP3 154 -9.119 -26.968 27.892 0.00 0.00 WAT1 ATOM 2443 OH2 TIP3 155 -2.807 -26.023 9.347 0.00 0.00 WAT1 ATOM 2444 H1 TIP3 155 -3.080 -26.448 8.534 0.00 0.00 WAT1 ATOM 2445 H2 TIP3 155 -2.767 -25.092 9.130 0.00 0.00 WAT1 ATOM 2446 OH2 TIP3 156 -13.227 -33.003 22.570 0.00 0.00 WAT1 ATOM 2447 H1 TIP3 156 -12.691 -32.552 21.918 0.00 0.00 WAT1 ATOM 2448 H2 TIP3 156 -14.079 -33.111 22.148 0.00 0.00 WAT1 ATOM 2449 OH2 TIP3 157 -12.421 -35.547 23.002 0.00 0.00 WAT1 ATOM 2450 H1 TIP3 157 -12.519 -34.600 22.896 0.00 0.00 WAT1 ATOM 2451 H2 TIP3 157 -13.164 -35.919 22.526 0.00 0.00 WAT1 ATOM 2452 OH2 TIP3 158 -11.157 -31.225 26.565 0.00 0.00 WAT1 ATOM 2453 H1 TIP3 158 -11.393 -31.445 27.467 0.00 0.00 WAT1 ATOM 2454 H2 TIP3 158 -11.940 -31.432 26.056 0.00 0.00 WAT1 ATOM 2455 OH2 TIP3 159 -12.199 -36.253 25.673 0.00 0.00 WAT1 ATOM 2456 H1 TIP3 159 -11.487 -36.893 25.659 0.00 0.00 WAT1 ATOM 2457 H2 TIP3 159 -12.300 -35.986 24.759 0.00 0.00 WAT1 ATOM 2458 OH2 TIP3 160 -11.846 -34.570 27.727 0.00 0.00 WAT1 ATOM 2459 H1 TIP3 160 -11.977 -35.046 26.906 0.00 0.00 WAT1 ATOM 2460 H2 TIP3 160 -12.445 -33.826 27.671 0.00 0.00 WAT1 ATOM 2461 OH2 TIP3 161 -1.663 -18.768 20.248 0.00 0.00 WAT1 ATOM 2462 H1 TIP3 161 -1.685 -18.583 21.187 0.00 0.00 WAT1 ATOM 2463 H2 TIP3 161 -0.973 -18.199 19.907 0.00 0.00 WAT1 ATOM 2464 OH2 TIP3 162 -3.337 -29.960 10.088 0.00 0.00 WAT1 ATOM 2465 H1 TIP3 162 -3.240 -29.293 9.408 0.00 0.00 WAT1 ATOM 2466 H2 TIP3 162 -3.477 -30.776 9.606 0.00 0.00 WAT1 ATOM 2467 OH2 TIP3 163 -4.089 -32.552 9.205 0.00 0.00 WAT1 ATOM 2468 H1 TIP3 163 -3.479 -32.924 9.842 0.00 0.00 WAT1 ATOM 2469 H2 TIP3 163 -4.926 -32.974 9.401 0.00 0.00 WAT1 ATOM 2470 OH2 TIP3 164 -3.843 -33.734 14.220 0.00 0.00 WAT1 ATOM 2471 H1 TIP3 164 -3.661 -34.183 15.045 0.00 0.00 WAT1 ATOM 2472 H2 TIP3 164 -4.443 -34.319 13.756 0.00 0.00 WAT1 ATOM 2473 OH2 TIP3 165 -1.977 -33.667 10.748 0.00 0.00 WAT1 ATOM 2474 H1 TIP3 165 -1.564 -34.388 10.272 0.00 0.00 WAT1 ATOM 2475 H2 TIP3 165 -1.295 -32.997 10.806 0.00 0.00 WAT1 ATOM 2476 OH2 TIP3 166 -4.925 -18.678 15.820 0.00 0.00 WAT1 ATOM 2477 H1 TIP3 166 -4.272 -19.025 15.212 0.00 0.00 WAT1 ATOM 2478 H2 TIP3 166 -4.414 -18.189 16.466 0.00 0.00 WAT1 ATOM 2479 OH2 TIP3 167 -14.586 -20.774 22.622 0.00 0.00 WAT1 ATOM 2480 H1 TIP3 167 -15.011 -19.965 22.339 0.00 0.00 WAT1 ATOM 2481 H2 TIP3 167 -13.681 -20.689 22.320 0.00 0.00 WAT1 ATOM 2482 OH2 TIP3 168 -14.717 -17.918 21.699 0.00 0.00 WAT1 ATOM 2483 H1 TIP3 168 -15.582 -17.846 22.103 0.00 0.00 WAT1 ATOM 2484 H2 TIP3 168 -14.772 -17.371 20.915 0.00 0.00 WAT1 ATOM 2485 OH2 TIP3 169 -15.628 -20.185 18.235 0.00 0.00 WAT1 ATOM 2486 H1 TIP3 169 -15.847 -21.101 18.404 0.00 0.00 WAT1 ATOM 2487 H2 TIP3 169 -14.804 -20.045 18.701 0.00 0.00 WAT1 ATOM 2488 OH2 TIP3 170 -13.091 -19.715 19.083 0.00 0.00 WAT1 ATOM 2489 H1 TIP3 170 -12.878 -20.603 18.796 0.00 0.00 WAT1 ATOM 2490 H2 TIP3 170 -13.026 -19.749 20.038 0.00 0.00 WAT1 ATOM 2491 OH2 TIP3 171 -9.582 -34.051 18.228 0.00 0.00 WAT1 ATOM 2492 H1 TIP3 171 -10.257 -34.680 18.483 0.00 0.00 WAT1 ATOM 2493 H2 TIP3 171 -9.018 -34.535 17.625 0.00 0.00 WAT1 ATOM 2494 OH2 TIP3 172 -7.119 -35.460 17.512 0.00 0.00 WAT1 ATOM 2495 H1 TIP3 172 -7.043 -35.365 16.563 0.00 0.00 WAT1 ATOM 2496 H2 TIP3 172 -7.395 -36.368 17.641 0.00 0.00 WAT1 ATOM 2497 OH2 TIP3 173 -5.766 -35.434 13.205 0.00 0.00 WAT1 ATOM 2498 H1 TIP3 173 -6.469 -34.820 12.995 0.00 0.00 WAT1 ATOM 2499 H2 TIP3 173 -6.211 -36.272 13.336 0.00 0.00 WAT1 ATOM 2500 OH2 TIP3 174 -11.532 -33.410 12.753 0.00 0.00 WAT1 ATOM 2501 H1 TIP3 174 -11.354 -34.056 13.436 0.00 0.00 WAT1 ATOM 2502 H2 TIP3 174 -11.586 -32.576 13.220 0.00 0.00 WAT1 ATOM 2503 OH2 TIP3 175 -9.654 -18.461 11.148 0.00 0.00 WAT1 ATOM 2504 H1 TIP3 175 -8.788 -18.095 10.970 0.00 0.00 WAT1 ATOM 2505 H2 TIP3 175 -9.901 -18.901 10.335 0.00 0.00 WAT1 ATOM 2506 OH2 TIP3 176 -2.945 -18.898 13.828 0.00 0.00 WAT1 ATOM 2507 H1 TIP3 176 -3.139 -19.646 13.263 0.00 0.00 WAT1 ATOM 2508 H2 TIP3 176 -2.984 -18.140 13.244 0.00 0.00 WAT1 ATOM 2509 OH2 TIP3 177 -8.177 -26.261 34.864 0.00 0.00 WAT1 ATOM 2510 H1 TIP3 177 -8.088 -25.317 34.732 0.00 0.00 WAT1 ATOM 2511 H2 TIP3 177 -8.816 -26.536 34.206 0.00 0.00 WAT1 ATOM 2512 OH2 TIP3 178 -9.244 -27.006 38.283 0.00 0.00 WAT1 ATOM 2513 H1 TIP3 178 -9.282 -27.652 38.988 0.00 0.00 WAT1 ATOM 2514 H2 TIP3 178 -9.567 -27.472 37.512 0.00 0.00 WAT1 ATOM 2515 OH2 TIP3 179 -5.538 -24.067 36.585 0.00 0.00 WAT1 ATOM 2516 H1 TIP3 179 -5.979 -24.787 37.035 0.00 0.00 WAT1 ATOM 2517 H2 TIP3 179 -5.551 -23.346 37.215 0.00 0.00 WAT1 ATOM 2518 OH2 TIP3 180 -7.714 -30.179 39.017 0.00 0.00 WAT1 ATOM 2519 H1 TIP3 180 -7.571 -31.126 39.037 0.00 0.00 WAT1 ATOM 2520 H2 TIP3 180 -7.820 -29.972 38.088 0.00 0.00 WAT1 ATOM 2521 OH2 TIP3 181 -12.783 -28.131 36.267 0.00 0.00 WAT1 ATOM 2522 H1 TIP3 181 -12.167 -28.657 36.776 0.00 0.00 WAT1 ATOM 2523 H2 TIP3 181 -13.369 -28.771 35.863 0.00 0.00 WAT1 ATOM 2524 OH2 TIP3 182 -1.800 -31.494 41.786 0.00 0.00 WAT1 ATOM 2525 H1 TIP3 182 -2.489 -30.836 41.691 0.00 0.00 WAT1 ATOM 2526 H2 TIP3 182 -1.785 -31.691 42.723 0.00 0.00 WAT1 ATOM 2527 OH2 TIP3 183 -8.380 -23.660 33.907 0.00 0.00 WAT1 ATOM 2528 H1 TIP3 183 -8.676 -23.982 33.056 0.00 0.00 WAT1 ATOM 2529 H2 TIP3 183 -8.704 -22.760 33.949 0.00 0.00 WAT1 ATOM 2530 OH2 TIP3 184 -4.726 -33.941 40.350 0.00 0.00 WAT1 ATOM 2531 H1 TIP3 184 -5.462 -33.330 40.312 0.00 0.00 WAT1 ATOM 2532 H2 TIP3 184 -4.042 -33.526 39.824 0.00 0.00 WAT1 ATOM 2533 OH2 TIP3 185 -6.774 -20.446 35.558 0.00 0.00 WAT1 ATOM 2534 H1 TIP3 185 -6.349 -21.153 35.073 0.00 0.00 WAT1 ATOM 2535 H2 TIP3 185 -6.457 -19.645 35.141 0.00 0.00 WAT1 ATOM 2536 OH2 TIP3 186 -5.615 -22.545 34.067 0.00 0.00 WAT1 ATOM 2537 H1 TIP3 186 -5.872 -23.235 33.455 0.00 0.00 WAT1 ATOM 2538 H2 TIP3 186 -5.544 -22.988 34.912 0.00 0.00 WAT1 ATOM 2539 OH2 TIP3 187 -9.402 -28.559 29.355 0.00 0.00 WAT1 ATOM 2540 H1 TIP3 187 -8.701 -28.537 30.006 0.00 0.00 WAT1 ATOM 2541 H2 TIP3 187 -9.100 -29.187 28.699 0.00 0.00 WAT1 ATOM 2542 OH2 TIP3 188 -2.087 -27.639 40.610 0.00 0.00 WAT1 ATOM 2543 H1 TIP3 188 -2.739 -26.944 40.699 0.00 0.00 WAT1 ATOM 2544 H2 TIP3 188 -1.622 -27.429 39.800 0.00 0.00 WAT1 ATOM 2545 OH2 TIP3 189 -9.453 -20.908 34.388 0.00 0.00 WAT1 ATOM 2546 H1 TIP3 189 -8.979 -20.613 35.166 0.00 0.00 WAT1 ATOM 2547 H2 TIP3 189 -10.016 -20.170 34.155 0.00 0.00 WAT1 ATOM 2548 OH2 TIP3 190 -6.879 -18.798 29.806 0.00 0.00 WAT1 ATOM 2549 H1 TIP3 190 -6.504 -19.542 29.335 0.00 0.00 WAT1 ATOM 2550 H2 TIP3 190 -6.875 -19.068 30.724 0.00 0.00 WAT1 ATOM 2551 OH2 TIP3 191 -7.210 -18.872 32.555 0.00 0.00 WAT1 ATOM 2552 H1 TIP3 191 -8.145 -18.772 32.734 0.00 0.00 WAT1 ATOM 2553 H2 TIP3 191 -6.930 -19.581 33.133 0.00 0.00 WAT1 ATOM 2554 OH2 TIP3 192 -10.129 -32.736 29.253 0.00 0.00 WAT1 ATOM 2555 H1 TIP3 192 -10.383 -32.717 30.176 0.00 0.00 WAT1 ATOM 2556 H2 TIP3 192 -10.386 -33.608 28.952 0.00 0.00 WAT1 ATOM 2557 OH2 TIP3 193 -11.784 -32.337 35.687 0.00 0.00 WAT1 ATOM 2558 H1 TIP3 193 -12.695 -32.280 35.976 0.00 0.00 WAT1 ATOM 2559 H2 TIP3 193 -11.279 -32.397 36.498 0.00 0.00 WAT1 ATOM 2560 OH2 TIP3 194 -13.303 -30.708 32.170 0.00 0.00 WAT1 ATOM 2561 H1 TIP3 194 -12.371 -30.579 32.348 0.00 0.00 WAT1 ATOM 2562 H2 TIP3 194 -13.518 -30.038 31.521 0.00 0.00 WAT1 ATOM 2563 OH2 TIP3 195 -7.379 -33.102 38.951 0.00 0.00 WAT1 ATOM 2564 H1 TIP3 195 -8.056 -32.971 39.615 0.00 0.00 WAT1 ATOM 2565 H2 TIP3 195 -7.865 -33.257 38.141 0.00 0.00 WAT1 ATOM 2566 OH2 TIP3 196 -10.464 -29.549 37.574 0.00 0.00 WAT1 ATOM 2567 H1 TIP3 196 -9.900 -30.096 37.027 0.00 0.00 WAT1 ATOM 2568 H2 TIP3 196 -10.612 -30.071 38.363 0.00 0.00 WAT1 ATOM 2569 OH2 TIP3 197 -11.294 -24.948 31.673 0.00 0.00 WAT1 ATOM 2570 H1 TIP3 197 -12.038 -25.455 31.350 0.00 0.00 WAT1 ATOM 2571 H2 TIP3 197 -11.428 -24.899 32.619 0.00 0.00 WAT1 ATOM 2572 OH2 TIP3 198 -4.144 -25.815 40.459 0.00 0.00 WAT1 ATOM 2573 H1 TIP3 198 -3.502 -25.358 39.916 0.00 0.00 WAT1 ATOM 2574 H2 TIP3 198 -4.974 -25.702 39.997 0.00 0.00 WAT1 ATOM 2575 OH2 TIP3 199 -9.168 -23.489 30.698 0.00 0.00 WAT1 ATOM 2576 H1 TIP3 199 -9.463 -22.663 31.080 0.00 0.00 WAT1 ATOM 2577 H2 TIP3 199 -9.871 -24.109 30.894 0.00 0.00 WAT1 ATOM 2578 OH2 TIP3 200 -6.337 -26.463 38.714 0.00 0.00 WAT1 ATOM 2579 H1 TIP3 200 -7.265 -26.695 38.687 0.00 0.00 WAT1 ATOM 2580 H2 TIP3 200 -5.886 -27.240 38.384 0.00 0.00 WAT1 ATOM 2581 OH2 TIP3 201 -12.367 -24.472 34.423 0.00 0.00 WAT1 ATOM 2582 H1 TIP3 201 -12.608 -23.547 34.465 0.00 0.00 WAT1 ATOM 2583 H2 TIP3 201 -13.107 -24.931 34.819 0.00 0.00 WAT1 ATOM 2584 OH2 TIP3 202 -12.014 -22.183 27.960 0.00 0.00 WAT1 ATOM 2585 H1 TIP3 202 -11.775 -22.931 27.412 0.00 0.00 WAT1 ATOM 2586 H2 TIP3 202 -12.283 -22.571 28.792 0.00 0.00 WAT1 ATOM 2587 OH2 TIP3 203 -10.339 -20.915 31.165 0.00 0.00 WAT1 ATOM 2588 H1 TIP3 203 -11.156 -20.418 31.218 0.00 0.00 WAT1 ATOM 2589 H2 TIP3 203 -9.810 -20.440 30.525 0.00 0.00 WAT1 ATOM 2590 OH2 TIP3 204 -10.808 -31.318 33.137 0.00 0.00 WAT1 ATOM 2591 H1 TIP3 204 -9.996 -30.814 33.183 0.00 0.00 WAT1 ATOM 2592 H2 TIP3 204 -11.053 -31.463 34.051 0.00 0.00 WAT1 ATOM 2593 OH2 TIP3 205 -9.924 -34.237 34.075 0.00 0.00 WAT1 ATOM 2594 H1 TIP3 205 -10.271 -33.619 34.720 0.00 0.00 WAT1 ATOM 2595 H2 TIP3 205 -9.266 -33.736 33.594 0.00 0.00 WAT1 ATOM 2596 OH2 TIP3 206 -4.068 -32.425 43.157 0.00 0.00 WAT1 ATOM 2597 H1 TIP3 206 -4.984 -32.162 43.069 0.00 0.00 WAT1 ATOM 2598 H2 TIP3 206 -3.732 -32.428 42.260 0.00 0.00 WAT1 ATOM 2599 OH2 TIP3 207 -5.466 -28.674 37.253 0.00 0.00 WAT1 ATOM 2600 H1 TIP3 207 -6.263 -29.089 36.924 0.00 0.00 WAT1 ATOM 2601 H2 TIP3 207 -5.021 -29.365 37.744 0.00 0.00 WAT1 ATOM 2602 OH2 TIP3 208 -9.976 -20.320 28.098 0.00 0.00 WAT1 ATOM 2603 H1 TIP3 208 -10.620 -20.951 28.420 0.00 0.00 WAT1 ATOM 2604 H2 TIP3 208 -9.214 -20.851 27.866 0.00 0.00 WAT1 ATOM 2605 OH2 TIP3 209 -5.372 -20.503 28.332 0.00 0.00 WAT1 ATOM 2606 H1 TIP3 209 -5.089 -21.297 28.785 0.00 0.00 WAT1 ATOM 2607 H2 TIP3 209 -4.632 -20.270 27.771 0.00 0.00 WAT1 ATOM 2608 OH2 TIP3 210 -9.065 -23.546 27.925 0.00 0.00 WAT1 ATOM 2609 H1 TIP3 210 -9.333 -23.366 28.826 0.00 0.00 WAT1 ATOM 2610 H2 TIP3 210 -9.271 -24.472 27.794 0.00 0.00 WAT1 ATOM 2611 OH2 TIP3 211 -13.268 -26.621 30.495 0.00 0.00 WAT1 ATOM 2612 H1 TIP3 211 -13.727 -27.105 31.181 0.00 0.00 WAT1 ATOM 2613 H2 TIP3 211 -13.013 -27.289 29.859 0.00 0.00 WAT1 ATOM 2614 OH2 TIP3 212 -12.197 -28.378 28.758 0.00 0.00 WAT1 ATOM 2615 H1 TIP3 212 -12.377 -28.532 27.830 0.00 0.00 WAT1 ATOM 2616 H2 TIP3 212 -11.246 -28.270 28.802 0.00 0.00 WAT1 ATOM 2617 OH2 TIP3 213 -12.299 -17.687 29.759 0.00 0.00 WAT1 ATOM 2618 H1 TIP3 213 -11.366 -17.529 29.903 0.00 0.00 WAT1 ATOM 2619 H2 TIP3 213 -12.563 -17.012 29.134 0.00 0.00 WAT1 ATOM 2620 OH2 TIP3 214 -1.663 -18.768 39.104 0.00 0.00 WAT1 ATOM 2621 H1 TIP3 214 -1.685 -18.583 40.043 0.00 0.00 WAT1 ATOM 2622 H2 TIP3 214 -0.973 -18.199 38.763 0.00 0.00 WAT1 ATOM 2623 OH2 TIP3 215 -2.195 -24.316 38.950 0.00 0.00 WAT1 ATOM 2624 H1 TIP3 215 -1.361 -24.694 38.669 0.00 0.00 WAT1 ATOM 2625 H2 TIP3 215 -2.083 -23.373 38.831 0.00 0.00 WAT1 ATOM 2626 OH2 TIP3 216 -3.845 -30.416 38.463 0.00 0.00 WAT1 ATOM 2627 H1 TIP3 216 -2.912 -30.204 38.429 0.00 0.00 WAT1 ATOM 2628 H2 TIP3 216 -4.080 -30.314 39.386 0.00 0.00 WAT1 ATOM 2629 OH2 TIP3 217 -3.816 -29.679 41.239 0.00 0.00 WAT1 ATOM 2630 H1 TIP3 217 -4.659 -29.411 41.605 0.00 0.00 WAT1 ATOM 2631 H2 TIP3 217 -3.373 -28.857 41.028 0.00 0.00 WAT1 ATOM 2632 OH2 TIP3 218 -1.533 -35.699 46.593 0.00 0.00 WAT1 ATOM 2633 H1 TIP3 218 -1.183 -36.353 45.987 0.00 0.00 WAT1 ATOM 2634 H2 TIP3 218 -1.386 -34.862 46.153 0.00 0.00 WAT1 ATOM 2635 OH2 TIP3 219 -2.013 -33.590 44.942 0.00 0.00 WAT1 ATOM 2636 H1 TIP3 219 -2.930 -33.319 44.906 0.00 0.00 WAT1 ATOM 2637 H2 TIP3 219 -1.890 -34.125 44.158 0.00 0.00 WAT1 ATOM 2638 OH2 TIP3 220 -4.925 -18.678 34.676 0.00 0.00 WAT1 ATOM 2639 H1 TIP3 220 -4.272 -19.025 34.068 0.00 0.00 WAT1 ATOM 2640 H2 TIP3 220 -4.414 -18.189 35.322 0.00 0.00 WAT1 ATOM 2641 OH2 TIP3 221 -3.012 -35.500 42.761 0.00 0.00 WAT1 ATOM 2642 H1 TIP3 221 -3.825 -35.175 42.373 0.00 0.00 WAT1 ATOM 2643 H2 TIP3 221 -2.779 -36.260 42.228 0.00 0.00 WAT1 ATOM 2644 OH2 TIP3 222 -9.582 -34.051 37.084 0.00 0.00 WAT1 ATOM 2645 H1 TIP3 222 -10.257 -34.680 37.339 0.00 0.00 WAT1 ATOM 2646 H2 TIP3 222 -9.018 -34.535 36.481 0.00 0.00 WAT1 ATOM 2647 OH2 TIP3 223 -12.676 -35.490 34.719 0.00 0.00 WAT1 ATOM 2648 H1 TIP3 223 -11.802 -35.102 34.689 0.00 0.00 WAT1 ATOM 2649 H2 TIP3 223 -12.812 -35.705 35.642 0.00 0.00 WAT1 ATOM 2650 OH2 TIP3 224 -11.532 -33.410 31.609 0.00 0.00 WAT1 ATOM 2651 H1 TIP3 224 -11.354 -34.056 32.292 0.00 0.00 WAT1 ATOM 2652 H2 TIP3 224 -11.586 -32.576 32.076 0.00 0.00 WAT1 ATOM 2653 OH2 TIP3 225 -9.654 -18.461 30.004 0.00 0.00 WAT1 ATOM 2654 H1 TIP3 225 -8.788 -18.095 29.826 0.00 0.00 WAT1 ATOM 2655 H2 TIP3 225 -9.901 -18.901 29.191 0.00 0.00 WAT1 ATOM 2656 OH2 TIP3 226 -2.192 -14.116 20.694 0.00 0.00 WAT1 ATOM 2657 H1 TIP3 226 -2.143 -13.506 21.430 0.00 0.00 WAT1 ATOM 2658 H2 TIP3 226 -1.766 -13.655 19.971 0.00 0.00 WAT1 ATOM 2659 OH2 TIP3 227 -7.714 -11.323 20.161 0.00 0.00 WAT1 ATOM 2660 H1 TIP3 227 -7.571 -12.270 20.181 0.00 0.00 WAT1 ATOM 2661 H2 TIP3 227 -7.820 -11.116 19.232 0.00 0.00 WAT1 ATOM 2662 OH2 TIP3 228 -6.837 -13.091 15.834 0.00 0.00 WAT1 ATOM 2663 H1 TIP3 228 -6.191 -13.420 16.459 0.00 0.00 WAT1 ATOM 2664 H2 TIP3 228 -6.327 -12.573 15.211 0.00 0.00 WAT1 ATOM 2665 OH2 TIP3 229 -1.800 -12.638 22.930 0.00 0.00 WAT1 ATOM 2666 H1 TIP3 229 -2.489 -11.980 22.835 0.00 0.00 WAT1 ATOM 2667 H2 TIP3 229 -1.785 -12.835 23.867 0.00 0.00 WAT1 ATOM 2668 OH2 TIP3 230 -5.073 -13.800 17.815 0.00 0.00 WAT1 ATOM 2669 H1 TIP3 230 -5.288 -14.566 18.347 0.00 0.00 WAT1 ATOM 2670 H2 TIP3 230 -4.417 -13.328 18.328 0.00 0.00 WAT1 ATOM 2671 OH2 TIP3 231 -11.723 -16.998 18.960 0.00 0.00 WAT1 ATOM 2672 H1 TIP3 231 -11.840 -17.947 18.906 0.00 0.00 WAT1 ATOM 2673 H2 TIP3 231 -12.578 -16.666 19.233 0.00 0.00 WAT1 ATOM 2674 OH2 TIP3 232 -3.481 -17.039 11.910 0.00 0.00 WAT1 ATOM 2675 H1 TIP3 232 -4.380 -16.900 12.205 0.00 0.00 WAT1 ATOM 2676 H2 TIP3 232 -3.229 -16.208 11.508 0.00 0.00 WAT1 ATOM 2677 OH2 TIP3 233 -14.454 -16.095 19.738 0.00 0.00 WAT1 ATOM 2678 H1 TIP3 233 -15.315 -16.182 19.330 0.00 0.00 WAT1 ATOM 2679 H2 TIP3 233 -14.476 -15.239 20.165 0.00 0.00 WAT1 ATOM 2680 OH2 TIP3 234 -6.465 -12.617 23.966 0.00 0.00 WAT1 ATOM 2681 H1 TIP3 234 -6.979 -12.743 24.763 0.00 0.00 WAT1 ATOM 2682 H2 TIP3 234 -6.620 -11.705 23.721 0.00 0.00 WAT1 ATOM 2683 OH2 TIP3 235 -7.379 -14.246 20.095 0.00 0.00 WAT1 ATOM 2684 H1 TIP3 235 -8.056 -14.115 20.759 0.00 0.00 WAT1 ATOM 2685 H2 TIP3 235 -7.865 -14.401 19.285 0.00 0.00 WAT1 ATOM 2686 OH2 TIP3 236 -8.792 -13.842 22.349 0.00 0.00 WAT1 ATOM 2687 H1 TIP3 236 -8.094 -13.768 22.999 0.00 0.00 WAT1 ATOM 2688 H2 TIP3 236 -9.173 -14.706 22.504 0.00 0.00 WAT1 ATOM 2689 OH2 TIP3 237 -10.272 -11.476 23.466 0.00 0.00 WAT1 ATOM 2690 H1 TIP3 237 -10.153 -10.902 24.223 0.00 0.00 WAT1 ATOM 2691 H2 TIP3 237 -9.617 -12.164 23.581 0.00 0.00 WAT1 ATOM 2692 OH2 TIP3 238 -9.924 -15.381 15.219 0.00 0.00 WAT1 ATOM 2693 H1 TIP3 238 -10.271 -14.763 15.864 0.00 0.00 WAT1 ATOM 2694 H2 TIP3 238 -9.266 -14.880 14.738 0.00 0.00 WAT1 ATOM 2695 OH2 TIP3 239 -4.068 -13.569 24.301 0.00 0.00 WAT1 ATOM 2696 H1 TIP3 239 -4.984 -13.306 24.213 0.00 0.00 WAT1 ATOM 2697 H2 TIP3 239 -3.732 -13.572 23.404 0.00 0.00 WAT1 ATOM 2698 OH2 TIP3 240 -13.227 -14.147 22.570 0.00 0.00 WAT1 ATOM 2699 H1 TIP3 240 -12.691 -13.696 21.918 0.00 0.00 WAT1 ATOM 2700 H2 TIP3 240 -14.079 -14.255 22.148 0.00 0.00 WAT1 ATOM 2701 OH2 TIP3 241 -12.421 -16.691 23.002 0.00 0.00 WAT1 ATOM 2702 H1 TIP3 241 -12.519 -15.744 22.896 0.00 0.00 WAT1 ATOM 2703 H2 TIP3 241 -13.164 -17.063 22.526 0.00 0.00 WAT1 ATOM 2704 OH2 TIP3 242 -11.157 -12.369 26.565 0.00 0.00 WAT1 ATOM 2705 H1 TIP3 242 -11.393 -12.589 27.467 0.00 0.00 WAT1 ATOM 2706 H2 TIP3 242 -11.940 -12.576 26.056 0.00 0.00 WAT1 ATOM 2707 OH2 TIP3 243 -8.441 -13.242 25.641 0.00 0.00 WAT1 ATOM 2708 H1 TIP3 243 -9.389 -13.210 25.773 0.00 0.00 WAT1 ATOM 2709 H2 TIP3 243 -8.129 -13.867 26.295 0.00 0.00 WAT1 ATOM 2710 OH2 TIP3 244 -6.807 -14.608 27.646 0.00 0.00 WAT1 ATOM 2711 H1 TIP3 244 -6.904 -15.560 27.640 0.00 0.00 WAT1 ATOM 2712 H2 TIP3 244 -7.129 -14.339 28.507 0.00 0.00 WAT1 ATOM 2713 OH2 TIP3 245 -12.199 -17.397 25.673 0.00 0.00 WAT1 ATOM 2714 H1 TIP3 245 -11.487 -18.037 25.659 0.00 0.00 WAT1 ATOM 2715 H2 TIP3 245 -12.300 -17.130 24.759 0.00 0.00 WAT1 ATOM 2716 OH2 TIP3 246 -11.846 -15.714 27.727 0.00 0.00 WAT1 ATOM 2717 H1 TIP3 246 -11.977 -16.190 26.906 0.00 0.00 WAT1 ATOM 2718 H2 TIP3 246 -12.445 -14.970 27.671 0.00 0.00 WAT1 ATOM 2719 OH2 TIP3 247 -1.814 -9.851 26.032 0.00 0.00 WAT1 ATOM 2720 H1 TIP3 247 -2.677 -10.230 25.867 0.00 0.00 WAT1 ATOM 2721 H2 TIP3 247 -1.210 -10.590 25.958 0.00 0.00 WAT1 ATOM 2722 OH2 TIP3 248 -3.845 -11.560 19.607 0.00 0.00 WAT1 ATOM 2723 H1 TIP3 248 -2.912 -11.348 19.573 0.00 0.00 WAT1 ATOM 2724 H2 TIP3 248 -4.080 -11.458 20.530 0.00 0.00 WAT1 ATOM 2725 OH2 TIP3 249 -3.816 -10.823 22.383 0.00 0.00 WAT1 ATOM 2726 H1 TIP3 249 -4.659 -10.555 22.749 0.00 0.00 WAT1 ATOM 2727 H2 TIP3 249 -3.373 -10.001 22.172 0.00 0.00 WAT1 ATOM 2728 OH2 TIP3 250 -1.533 -16.843 27.737 0.00 0.00 WAT1 ATOM 2729 H1 TIP3 250 -1.183 -17.497 27.131 0.00 0.00 WAT1 ATOM 2730 H2 TIP3 250 -1.386 -16.006 27.297 0.00 0.00 WAT1 ATOM 2731 OH2 TIP3 251 -2.013 -14.734 26.086 0.00 0.00 WAT1 ATOM 2732 H1 TIP3 251 -2.930 -14.463 26.050 0.00 0.00 WAT1 ATOM 2733 H2 TIP3 251 -1.890 -15.269 25.302 0.00 0.00 WAT1 ATOM 2734 OH2 TIP3 252 -9.582 -15.195 18.228 0.00 0.00 WAT1 ATOM 2735 H1 TIP3 252 -10.257 -15.824 18.483 0.00 0.00 WAT1 ATOM 2736 H2 TIP3 252 -9.018 -15.679 17.625 0.00 0.00 WAT1 ATOM 2737 OH2 TIP3 253 -4.440 -17.088 18.340 0.00 0.00 WAT1 ATOM 2738 H1 TIP3 253 -3.836 -16.540 17.839 0.00 0.00 WAT1 ATOM 2739 H2 TIP3 253 -5.309 -16.768 18.100 0.00 0.00 WAT1 ATOM 2740 OH2 TIP3 254 -2.713 -15.949 16.674 0.00 0.00 WAT1 ATOM 2741 H1 TIP3 254 -2.101 -16.463 16.147 0.00 0.00 WAT1 ATOM 2742 H2 TIP3 254 -2.330 -15.071 16.697 0.00 0.00 WAT1 ATOM 2743 OH2 TIP3 255 -12.676 -16.634 15.863 0.00 0.00 WAT1 ATOM 2744 H1 TIP3 255 -11.802 -16.246 15.833 0.00 0.00 WAT1 ATOM 2745 H2 TIP3 255 -12.812 -16.849 16.786 0.00 0.00 WAT1 ATOM 2746 OH2 TIP3 256 -7.119 -16.604 17.512 0.00 0.00 WAT1 ATOM 2747 H1 TIP3 256 -7.043 -16.509 16.563 0.00 0.00 WAT1 ATOM 2748 H2 TIP3 256 -7.395 -17.512 17.641 0.00 0.00 WAT1 ATOM 2749 OH2 TIP3 257 -5.766 -16.578 13.205 0.00 0.00 WAT1 ATOM 2750 H1 TIP3 257 -6.469 -15.964 12.995 0.00 0.00 WAT1 ATOM 2751 H2 TIP3 257 -6.211 -17.416 13.336 0.00 0.00 WAT1 ATOM 2752 OH2 TIP3 258 -3.481 -17.039 30.766 0.00 0.00 WAT1 ATOM 2753 H1 TIP3 258 -4.380 -16.900 31.061 0.00 0.00 WAT1 ATOM 2754 H2 TIP3 258 -3.229 -16.208 30.364 0.00 0.00 WAT1 ATOM 2755 OH2 TIP3 259 -10.129 -13.880 29.253 0.00 0.00 WAT1 ATOM 2756 H1 TIP3 259 -10.383 -13.861 30.176 0.00 0.00 WAT1 ATOM 2757 H2 TIP3 259 -10.386 -14.752 28.952 0.00 0.00 WAT1 ATOM 2758 OH2 TIP3 260 -7.396 -13.278 29.872 0.00 0.00 WAT1 ATOM 2759 H1 TIP3 260 -8.334 -13.166 29.721 0.00 0.00 WAT1 ATOM 2760 H2 TIP3 260 -7.099 -12.421 30.178 0.00 0.00 WAT1 ATOM 2761 OH2 TIP3 261 -4.089 -13.696 28.061 0.00 0.00 WAT1 ATOM 2762 H1 TIP3 261 -3.479 -14.068 28.698 0.00 0.00 WAT1 ATOM 2763 H2 TIP3 261 -4.926 -14.118 28.257 0.00 0.00 WAT1 ATOM 2764 OH2 TIP3 262 -3.843 -14.878 33.076 0.00 0.00 WAT1 ATOM 2765 H1 TIP3 262 -3.661 -15.327 33.901 0.00 0.00 WAT1 ATOM 2766 H2 TIP3 262 -4.443 -15.463 32.612 0.00 0.00 WAT1 ATOM 2767 OH2 TIP3 263 -1.977 -14.811 29.604 0.00 0.00 WAT1 ATOM 2768 H1 TIP3 263 -1.564 -15.532 29.128 0.00 0.00 WAT1 ATOM 2769 H2 TIP3 263 -1.295 -14.141 29.662 0.00 0.00 WAT1 ATOM 2770 OH2 TIP3 264 -4.440 -17.088 37.196 0.00 0.00 WAT1 ATOM 2771 H1 TIP3 264 -3.836 -16.540 36.695 0.00 0.00 WAT1 ATOM 2772 H2 TIP3 264 -5.309 -16.768 36.956 0.00 0.00 WAT1 ATOM 2773 OH2 TIP3 265 -2.713 -15.949 35.530 0.00 0.00 WAT1 ATOM 2774 H1 TIP3 265 -2.101 -16.463 35.003 0.00 0.00 WAT1 ATOM 2775 H2 TIP3 265 -2.330 -15.071 35.553 0.00 0.00 WAT1 ATOM 2776 OH2 TIP3 266 -5.766 -16.578 32.061 0.00 0.00 WAT1 ATOM 2777 H1 TIP3 266 -6.469 -15.964 31.851 0.00 0.00 WAT1 ATOM 2778 H2 TIP3 266 -6.211 -17.416 32.192 0.00 0.00 WAT1 ATOM 2779 OH2 TIP3 267 14.764 -36.286 7.516 0.00 0.00 WAT1 ATOM 2780 H1 TIP3 267 14.964 -35.862 6.681 0.00 0.00 WAT1 ATOM 2781 H2 TIP3 267 15.420 -35.943 8.123 0.00 0.00 WAT1 ATOM 2782 OH2 TIP3 268 4.788 -38.684 9.011 0.00 0.00 WAT1 ATOM 2783 H1 TIP3 268 5.556 -39.143 9.352 0.00 0.00 WAT1 ATOM 2784 H2 TIP3 268 4.767 -38.910 8.081 0.00 0.00 WAT1 ATOM 2785 OH2 TIP3 269 15.207 -42.267 8.952 0.00 0.00 WAT1 ATOM 2786 H1 TIP3 269 14.341 -42.372 9.346 0.00 0.00 WAT1 ATOM 2787 H2 TIP3 269 15.583 -41.508 9.399 0.00 0.00 WAT1 ATOM 2788 OH2 TIP3 270 15.129 -39.003 7.122 0.00 0.00 WAT1 ATOM 2789 H1 TIP3 270 14.347 -39.189 6.602 0.00 0.00 WAT1 ATOM 2790 H2 TIP3 270 15.057 -38.074 7.339 0.00 0.00 WAT1 ATOM 2791 OH2 TIP3 271 10.679 -45.117 16.008 0.00 0.00 WAT1 ATOM 2792 H1 TIP3 271 10.768 -44.173 15.876 0.00 0.00 WAT1 ATOM 2793 H2 TIP3 271 10.040 -45.392 15.350 0.00 0.00 WAT1 ATOM 2794 OH2 TIP3 272 9.612 -45.862 19.427 0.00 0.00 WAT1 ATOM 2795 H1 TIP3 272 9.574 -46.508 20.132 0.00 0.00 WAT1 ATOM 2796 H2 TIP3 272 9.289 -46.328 18.656 0.00 0.00 WAT1 ATOM 2797 OH2 TIP3 273 1.980 -46.247 21.020 0.00 0.00 WAT1 ATOM 2798 H1 TIP3 273 2.022 -46.873 21.744 0.00 0.00 WAT1 ATOM 2799 H2 TIP3 273 2.683 -45.624 21.202 0.00 0.00 WAT1 ATOM 2800 OH2 TIP3 274 0.224 -45.975 17.074 0.00 0.00 WAT1 ATOM 2801 H1 TIP3 274 0.438 -46.745 17.601 0.00 0.00 WAT1 ATOM 2802 H2 TIP3 274 0.962 -45.886 16.471 0.00 0.00 WAT1 ATOM 2803 OH2 TIP3 275 11.142 -49.035 20.161 0.00 0.00 WAT1 ATOM 2804 H1 TIP3 275 11.285 -49.982 20.181 0.00 0.00 WAT1 ATOM 2805 H2 TIP3 275 11.036 -48.828 19.232 0.00 0.00 WAT1 ATOM 2806 OH2 TIP3 276 6.073 -46.987 17.411 0.00 0.00 WAT1 ATOM 2807 H1 TIP3 276 6.689 -47.513 17.920 0.00 0.00 WAT1 ATOM 2808 H2 TIP3 276 5.487 -47.627 17.007 0.00 0.00 WAT1 ATOM 2809 OH2 TIP3 277 17.056 -50.350 22.930 0.00 0.00 WAT1 ATOM 2810 H1 TIP3 277 16.367 -49.692 22.835 0.00 0.00 WAT1 ATOM 2811 H2 TIP3 277 17.071 -50.547 23.867 0.00 0.00 WAT1 ATOM 2812 OH2 TIP3 278 10.476 -42.516 15.051 0.00 0.00 WAT1 ATOM 2813 H1 TIP3 278 10.180 -42.838 14.200 0.00 0.00 WAT1 ATOM 2814 H2 TIP3 278 10.152 -41.616 15.093 0.00 0.00 WAT1 ATOM 2815 OH2 TIP3 279 0.205 -42.705 13.364 0.00 0.00 WAT1 ATOM 2816 H1 TIP3 279 -0.067 -42.476 12.475 0.00 0.00 WAT1 ATOM 2817 H2 TIP3 279 0.250 -41.867 13.824 0.00 0.00 WAT1 ATOM 2818 OH2 TIP3 280 16.769 -46.495 21.754 0.00 0.00 WAT1 ATOM 2819 H1 TIP3 280 16.117 -45.800 21.843 0.00 0.00 WAT1 ATOM 2820 H2 TIP3 280 17.234 -46.285 20.944 0.00 0.00 WAT1 ATOM 2821 OH2 TIP3 281 12.806 -45.663 14.412 0.00 0.00 WAT1 ATOM 2822 H1 TIP3 281 12.074 -45.435 14.985 0.00 0.00 WAT1 ATOM 2823 H2 TIP3 281 13.253 -46.377 14.867 0.00 0.00 WAT1 ATOM 2824 OH2 TIP3 282 4.451 -45.033 16.295 0.00 0.00 WAT1 ATOM 2825 H1 TIP3 282 4.121 -45.403 15.476 0.00 0.00 WAT1 ATOM 2826 H2 TIP3 282 5.039 -45.703 16.641 0.00 0.00 WAT1 ATOM 2827 OH2 TIP3 283 4.818 -46.264 19.928 0.00 0.00 WAT1 ATOM 2828 H1 TIP3 283 5.383 -46.143 19.165 0.00 0.00 WAT1 ATOM 2829 H2 TIP3 283 5.137 -45.627 20.567 0.00 0.00 WAT1 ATOM 2830 OH2 TIP3 284 2.618 -45.667 23.874 0.00 0.00 WAT1 ATOM 2831 H1 TIP3 284 2.688 -45.016 24.572 0.00 0.00 WAT1 ATOM 2832 H2 TIP3 284 1.727 -45.564 23.539 0.00 0.00 WAT1 ATOM 2833 OH2 TIP3 285 16.565 -40.385 10.287 0.00 0.00 WAT1 ATOM 2834 H1 TIP3 285 16.638 -39.446 10.457 0.00 0.00 WAT1 ATOM 2835 H2 TIP3 285 17.470 -40.690 10.230 0.00 0.00 WAT1 ATOM 2836 OH2 TIP3 286 11.977 -37.654 10.950 0.00 0.00 WAT1 ATOM 2837 H1 TIP3 286 12.352 -38.398 10.479 0.00 0.00 WAT1 ATOM 2838 H2 TIP3 286 11.981 -37.924 11.868 0.00 0.00 WAT1 ATOM 2839 OH2 TIP3 287 14.634 -48.661 25.745 0.00 0.00 WAT1 ATOM 2840 H1 TIP3 287 14.227 -48.180 25.025 0.00 0.00 WAT1 ATOM 2841 H2 TIP3 287 14.675 -49.566 25.438 0.00 0.00 WAT1 ATOM 2842 OH2 TIP3 288 12.391 -50.329 23.966 0.00 0.00 WAT1 ATOM 2843 H1 TIP3 288 11.877 -50.455 24.763 0.00 0.00 WAT1 ATOM 2844 H2 TIP3 288 12.236 -49.417 23.721 0.00 0.00 WAT1 ATOM 2845 OH2 TIP3 289 9.128 -48.029 26.050 0.00 0.00 WAT1 ATOM 2846 H1 TIP3 289 8.565 -48.733 26.370 0.00 0.00 WAT1 ATOM 2847 H2 TIP3 289 9.954 -48.149 26.517 0.00 0.00 WAT1 ATOM 2848 OH2 TIP3 290 11.030 -48.758 17.376 0.00 0.00 WAT1 ATOM 2849 H1 TIP3 290 10.835 -48.153 16.661 0.00 0.00 WAT1 ATOM 2850 H2 TIP3 290 11.212 -49.592 16.941 0.00 0.00 WAT1 ATOM 2851 OH2 TIP3 291 8.392 -48.405 18.718 0.00 0.00 WAT1 ATOM 2852 H1 TIP3 291 8.956 -48.952 18.171 0.00 0.00 WAT1 ATOM 2853 H2 TIP3 291 8.244 -48.927 19.507 0.00 0.00 WAT1 ATOM 2854 OH2 TIP3 292 7.562 -43.804 12.817 0.00 0.00 WAT1 ATOM 2855 H1 TIP3 292 6.818 -44.311 12.494 0.00 0.00 WAT1 ATOM 2856 H2 TIP3 292 7.428 -43.755 13.763 0.00 0.00 WAT1 ATOM 2857 OH2 TIP3 293 2.687 -44.509 18.586 0.00 0.00 WAT1 ATOM 2858 H1 TIP3 293 3.432 -44.511 17.985 0.00 0.00 WAT1 ATOM 2859 H2 TIP3 293 2.765 -45.333 19.068 0.00 0.00 WAT1 ATOM 2860 OH2 TIP3 294 9.688 -42.345 11.842 0.00 0.00 WAT1 ATOM 2861 H1 TIP3 294 9.393 -41.519 12.224 0.00 0.00 WAT1 ATOM 2862 H2 TIP3 294 8.985 -42.965 12.038 0.00 0.00 WAT1 ATOM 2863 OH2 TIP3 295 -0.305 -46.048 23.901 0.00 0.00 WAT1 ATOM 2864 H1 TIP3 295 -0.082 -46.466 24.733 0.00 0.00 WAT1 ATOM 2865 H2 TIP3 295 -0.907 -46.661 23.479 0.00 0.00 WAT1 ATOM 2866 OH2 TIP3 296 6.712 -46.531 26.114 0.00 0.00 WAT1 ATOM 2867 H1 TIP3 296 6.416 -46.697 25.219 0.00 0.00 WAT1 ATOM 2868 H2 TIP3 296 7.643 -46.751 26.104 0.00 0.00 WAT1 ATOM 2869 OH2 TIP3 297 6.489 -43.328 15.567 0.00 0.00 WAT1 ATOM 2870 H1 TIP3 297 6.248 -42.403 15.609 0.00 0.00 WAT1 ATOM 2871 H2 TIP3 297 5.749 -43.787 15.963 0.00 0.00 WAT1 ATOM 2872 OH2 TIP3 298 12.751 -42.151 10.657 0.00 0.00 WAT1 ATOM 2873 H1 TIP3 298 13.104 -42.531 11.461 0.00 0.00 WAT1 ATOM 2874 H2 TIP3 298 11.802 -42.244 10.743 0.00 0.00 WAT1 ATOM 2875 OH2 TIP3 299 17.255 -37.671 10.858 0.00 0.00 WAT1 ATOM 2876 H1 TIP3 299 17.998 -37.085 10.718 0.00 0.00 WAT1 ATOM 2877 H2 TIP3 299 16.560 -37.103 11.191 0.00 0.00 WAT1 ATOM 2878 OH2 TIP3 300 13.617 -43.478 12.883 0.00 0.00 WAT1 ATOM 2879 H1 TIP3 300 13.340 -44.206 13.439 0.00 0.00 WAT1 ATOM 2880 H2 TIP3 300 14.544 -43.359 13.089 0.00 0.00 WAT1 ATOM 2881 OH2 TIP3 301 6.842 -41.039 9.104 0.00 0.00 WAT1 ATOM 2882 H1 TIP3 301 7.081 -41.787 8.556 0.00 0.00 WAT1 ATOM 2883 H2 TIP3 301 6.573 -41.427 9.936 0.00 0.00 WAT1 ATOM 2884 OH2 TIP3 302 5.779 -41.469 11.560 0.00 0.00 WAT1 ATOM 2885 H1 TIP3 302 5.926 -41.989 12.350 0.00 0.00 WAT1 ATOM 2886 H2 TIP3 302 5.776 -40.562 11.866 0.00 0.00 WAT1 ATOM 2887 OH2 TIP3 303 8.517 -39.771 12.309 0.00 0.00 WAT1 ATOM 2888 H1 TIP3 303 7.700 -39.274 12.362 0.00 0.00 WAT1 ATOM 2889 H2 TIP3 303 9.046 -39.296 11.669 0.00 0.00 WAT1 ATOM 2890 OH2 TIP3 304 8.584 -49.188 23.466 0.00 0.00 WAT1 ATOM 2891 H1 TIP3 304 8.703 -48.614 24.223 0.00 0.00 WAT1 ATOM 2892 H2 TIP3 304 9.239 -49.876 23.581 0.00 0.00 WAT1 ATOM 2893 OH2 TIP3 305 14.788 -51.281 24.301 0.00 0.00 WAT1 ATOM 2894 H1 TIP3 305 13.872 -51.018 24.213 0.00 0.00 WAT1 ATOM 2895 H2 TIP3 305 15.124 -51.284 23.404 0.00 0.00 WAT1 ATOM 2896 OH2 TIP3 306 13.390 -47.530 18.397 0.00 0.00 WAT1 ATOM 2897 H1 TIP3 306 12.593 -47.945 18.068 0.00 0.00 WAT1 ATOM 2898 H2 TIP3 306 13.835 -48.221 18.888 0.00 0.00 WAT1 ATOM 2899 OH2 TIP3 307 2.848 -41.602 10.967 0.00 0.00 WAT1 ATOM 2900 H1 TIP3 307 3.440 -40.903 11.243 0.00 0.00 WAT1 ATOM 2901 H2 TIP3 307 3.307 -42.035 10.248 0.00 0.00 WAT1 ATOM 2902 OH2 TIP3 308 8.880 -39.176 9.242 0.00 0.00 WAT1 ATOM 2903 H1 TIP3 308 8.236 -39.807 9.564 0.00 0.00 WAT1 ATOM 2904 H2 TIP3 308 9.642 -39.707 9.010 0.00 0.00 WAT1 ATOM 2905 OH2 TIP3 309 13.484 -39.359 9.476 0.00 0.00 WAT1 ATOM 2906 H1 TIP3 309 13.767 -40.153 9.929 0.00 0.00 WAT1 ATOM 2907 H2 TIP3 309 14.224 -39.126 8.915 0.00 0.00 WAT1 ATOM 2908 OH2 TIP3 310 6.753 -43.823 26.634 0.00 0.00 WAT1 ATOM 2909 H1 TIP3 310 6.425 -43.552 25.776 0.00 0.00 WAT1 ATOM 2910 H2 TIP3 310 6.905 -44.764 26.546 0.00 0.00 WAT1 ATOM 2911 OH2 TIP3 311 0.930 -46.593 26.621 0.00 0.00 WAT1 ATOM 2912 H1 TIP3 311 1.338 -47.450 26.500 0.00 0.00 WAT1 ATOM 2913 H2 TIP3 311 0.670 -46.578 27.542 0.00 0.00 WAT1 ATOM 2914 OH2 TIP3 312 4.877 -47.584 23.995 0.00 0.00 WAT1 ATOM 2915 H1 TIP3 312 4.259 -46.909 24.276 0.00 0.00 WAT1 ATOM 2916 H2 TIP3 312 5.221 -47.263 23.162 0.00 0.00 WAT1 ATOM 2917 OH2 TIP3 313 9.897 -45.113 27.273 0.00 0.00 WAT1 ATOM 2918 H1 TIP3 313 10.850 -45.029 27.245 0.00 0.00 WAT1 ATOM 2919 H2 TIP3 313 9.737 -45.824 27.892 0.00 0.00 WAT1 ATOM 2920 OH2 TIP3 314 7.211 -46.420 22.810 0.00 0.00 WAT1 ATOM 2921 H1 TIP3 314 7.962 -46.576 22.237 0.00 0.00 WAT1 ATOM 2922 H2 TIP3 314 6.872 -45.568 22.534 0.00 0.00 WAT1 ATOM 2923 OH2 TIP3 315 11.627 -48.605 27.838 0.00 0.00 WAT1 ATOM 2924 H1 TIP3 315 11.819 -49.536 27.727 0.00 0.00 WAT1 ATOM 2925 H2 TIP3 315 12.484 -48.180 27.828 0.00 0.00 WAT1 ATOM 2926 OH2 TIP3 316 3.695 -49.031 26.989 0.00 0.00 WAT1 ATOM 2927 H1 TIP3 316 2.928 -49.563 26.779 0.00 0.00 WAT1 ATOM 2928 H2 TIP3 316 4.374 -49.341 26.390 0.00 0.00 WAT1 ATOM 2929 OH2 TIP3 317 10.415 -50.954 25.641 0.00 0.00 WAT1 ATOM 2930 H1 TIP3 317 9.467 -50.922 25.773 0.00 0.00 WAT1 ATOM 2931 H2 TIP3 317 10.727 -51.579 26.295 0.00 0.00 WAT1 ATOM 2932 OH2 TIP3 318 6.557 -36.543 10.903 0.00 0.00 WAT1 ATOM 2933 H1 TIP3 318 7.490 -36.385 11.047 0.00 0.00 WAT1 ATOM 2934 H2 TIP3 318 6.293 -35.868 10.278 0.00 0.00 WAT1 ATOM 2935 OH2 TIP3 319 16.508 -44.010 13.322 0.00 0.00 WAT1 ATOM 2936 H1 TIP3 319 17.358 -43.589 13.450 0.00 0.00 WAT1 ATOM 2937 H2 TIP3 319 16.513 -44.750 13.930 0.00 0.00 WAT1 ATOM 2938 OH2 TIP3 320 16.902 -45.957 15.146 0.00 0.00 WAT1 ATOM 2939 H1 TIP3 320 16.176 -46.436 15.544 0.00 0.00 WAT1 ATOM 2940 H2 TIP3 320 17.483 -45.751 15.878 0.00 0.00 WAT1 ATOM 2941 OH2 TIP3 321 17.170 -46.056 11.537 0.00 0.00 WAT1 ATOM 2942 H1 TIP3 321 16.649 -45.699 10.818 0.00 0.00 WAT1 ATOM 2943 H2 TIP3 321 17.137 -45.381 12.215 0.00 0.00 WAT1 ATOM 2944 OH2 TIP3 322 14.689 -47.436 15.709 0.00 0.00 WAT1 ATOM 2945 H1 TIP3 322 14.539 -48.381 15.689 0.00 0.00 WAT1 ATOM 2946 H2 TIP3 322 14.335 -47.155 16.553 0.00 0.00 WAT1 ATOM 2947 OH2 TIP3 323 -0.276 -45.358 19.719 0.00 0.00 WAT1 ATOM 2948 H1 TIP3 323 -0.092 -45.440 18.784 0.00 0.00 WAT1 ATOM 2949 H2 TIP3 323 0.573 -45.482 20.143 0.00 0.00 WAT1 ATOM 2950 OH2 TIP3 324 17.042 -47.563 26.032 0.00 0.00 WAT1 ATOM 2951 H1 TIP3 324 16.179 -47.942 25.867 0.00 0.00 WAT1 ATOM 2952 H2 TIP3 324 17.646 -48.302 25.958 0.00 0.00 WAT1 ATOM 2953 OH2 TIP3 325 15.011 -49.272 19.607 0.00 0.00 WAT1 ATOM 2954 H1 TIP3 325 15.944 -49.060 19.573 0.00 0.00 WAT1 ATOM 2955 H2 TIP3 325 14.776 -49.170 20.530 0.00 0.00 WAT1 ATOM 2956 OH2 TIP3 326 15.040 -48.535 22.383 0.00 0.00 WAT1 ATOM 2957 H1 TIP3 326 14.197 -48.267 22.749 0.00 0.00 WAT1 ATOM 2958 H2 TIP3 326 15.483 -47.713 22.172 0.00 0.00 WAT1 ATOM 2959 OH2 TIP3 327 -0.678 -50.087 25.860 0.00 0.00 WAT1 ATOM 2960 H1 TIP3 327 0.241 -50.209 26.096 0.00 0.00 WAT1 ATOM 2961 H2 TIP3 327 -1.128 -50.837 26.249 0.00 0.00 WAT1 ATOM 2962 OH2 TIP3 328 -1.153 -48.776 19.820 0.00 0.00 WAT1 ATOM 2963 H1 TIP3 328 -0.661 -48.997 19.030 0.00 0.00 WAT1 ATOM 2964 H2 TIP3 328 -0.791 -47.935 20.101 0.00 0.00 WAT1 ATOM 2965 OH2 TIP3 329 0.338 -38.527 12.751 0.00 0.00 WAT1 ATOM 2966 H1 TIP3 329 -0.347 -38.565 12.083 0.00 0.00 WAT1 ATOM 2967 H2 TIP3 329 0.341 -37.614 13.039 0.00 0.00 WAT1 ATOM 2968 OH2 TIP3 330 9.202 -37.317 11.148 0.00 0.00 WAT1 ATOM 2969 H1 TIP3 330 10.068 -36.951 10.970 0.00 0.00 WAT1 ATOM 2970 H2 TIP3 330 8.955 -37.757 10.335 0.00 0.00 WAT1 ATOM 2971 OH2 TIP3 331 2.156 -37.607 9.776 0.00 0.00 WAT1 ATOM 2972 H1 TIP3 331 1.888 -37.320 10.649 0.00 0.00 WAT1 ATOM 2973 H2 TIP3 331 2.927 -38.153 9.928 0.00 0.00 WAT1 ATOM 2974 OH2 TIP3 332 9.612 -45.862 38.283 0.00 0.00 WAT1 ATOM 2975 H1 TIP3 332 9.574 -46.508 38.988 0.00 0.00 WAT1 ATOM 2976 H2 TIP3 332 9.289 -46.328 37.512 0.00 0.00 WAT1 ATOM 2977 OH2 TIP3 333 1.980 -46.247 39.876 0.00 0.00 WAT1 ATOM 2978 H1 TIP3 333 2.022 -46.873 40.600 0.00 0.00 WAT1 ATOM 2979 H2 TIP3 333 2.683 -45.624 40.058 0.00 0.00 WAT1 ATOM 2980 OH2 TIP3 334 -0.486 -48.137 33.804 0.00 0.00 WAT1 ATOM 2981 H1 TIP3 334 -0.934 -47.291 33.786 0.00 0.00 WAT1 ATOM 2982 H2 TIP3 334 -1.047 -48.717 33.289 0.00 0.00 WAT1 ATOM 2983 OH2 TIP3 335 0.224 -45.975 35.930 0.00 0.00 WAT1 ATOM 2984 H1 TIP3 335 0.438 -46.745 36.457 0.00 0.00 WAT1 ATOM 2985 H2 TIP3 335 0.962 -45.886 35.327 0.00 0.00 WAT1 ATOM 2986 OH2 TIP3 336 8.001 -43.429 38.689 0.00 0.00 WAT1 ATOM 2987 H1 TIP3 336 8.305 -44.115 38.095 0.00 0.00 WAT1 ATOM 2988 H2 TIP3 336 8.723 -43.311 39.307 0.00 0.00 WAT1 ATOM 2989 OH2 TIP3 337 12.019 -50.803 34.690 0.00 0.00 WAT1 ATOM 2990 H1 TIP3 337 12.665 -51.132 35.315 0.00 0.00 WAT1 ATOM 2991 H2 TIP3 337 12.529 -50.285 34.067 0.00 0.00 WAT1 ATOM 2992 OH2 TIP3 338 0.917 -48.537 37.051 0.00 0.00 WAT1 ATOM 2993 H1 TIP3 338 1.571 -49.087 37.483 0.00 0.00 WAT1 ATOM 2994 H2 TIP3 338 0.941 -48.811 36.135 0.00 0.00 WAT1 ATOM 2995 OH2 TIP3 339 6.073 -46.987 36.267 0.00 0.00 WAT1 ATOM 2996 H1 TIP3 339 6.689 -47.513 36.776 0.00 0.00 WAT1 ATOM 2997 H2 TIP3 339 5.487 -47.627 35.863 0.00 0.00 WAT1 ATOM 2998 OH2 TIP3 340 5.676 -44.340 40.651 0.00 0.00 WAT1 ATOM 2999 H1 TIP3 340 4.936 -43.742 40.754 0.00 0.00 WAT1 ATOM 3000 H2 TIP3 340 6.390 -43.786 40.335 0.00 0.00 WAT1 ATOM 3001 OH2 TIP3 341 4.084 -42.376 41.438 0.00 0.00 WAT1 ATOM 3002 H1 TIP3 341 4.078 -41.497 41.060 0.00 0.00 WAT1 ATOM 3003 H2 TIP3 341 3.230 -42.459 41.863 0.00 0.00 WAT1 ATOM 3004 OH2 TIP3 342 14.927 -42.835 42.544 0.00 0.00 WAT1 ATOM 3005 H1 TIP3 342 15.067 -43.426 41.805 0.00 0.00 WAT1 ATOM 3006 H2 TIP3 342 15.095 -41.962 42.188 0.00 0.00 WAT1 ATOM 3007 OH2 TIP3 343 9.454 -47.415 29.355 0.00 0.00 WAT1 ATOM 3008 H1 TIP3 343 10.155 -47.393 30.006 0.00 0.00 WAT1 ATOM 3009 H2 TIP3 343 9.756 -48.043 28.699 0.00 0.00 WAT1 ATOM 3010 OH2 TIP3 344 16.769 -46.495 40.610 0.00 0.00 WAT1 ATOM 3011 H1 TIP3 344 16.117 -45.800 40.699 0.00 0.00 WAT1 ATOM 3012 H2 TIP3 344 17.234 -46.285 39.800 0.00 0.00 WAT1 ATOM 3013 OH2 TIP3 345 4.818 -46.264 38.784 0.00 0.00 WAT1 ATOM 3014 H1 TIP3 345 5.383 -46.143 38.021 0.00 0.00 WAT1 ATOM 3015 H2 TIP3 345 5.137 -45.627 39.423 0.00 0.00 WAT1 ATOM 3016 OH2 TIP3 346 2.618 -45.667 42.730 0.00 0.00 WAT1 ATOM 3017 H1 TIP3 346 2.688 -45.016 43.428 0.00 0.00 WAT1 ATOM 3018 H2 TIP3 346 1.727 -45.564 42.395 0.00 0.00 WAT1 ATOM 3019 OH2 TIP3 347 -0.466 -43.600 41.555 0.00 0.00 WAT1 ATOM 3020 H1 TIP3 347 -0.967 -43.628 40.740 0.00 0.00 WAT1 ATOM 3021 H2 TIP3 347 -0.460 -44.506 41.865 0.00 0.00 WAT1 ATOM 3022 OH2 TIP3 348 1.783 -42.277 42.598 0.00 0.00 WAT1 ATOM 3023 H1 TIP3 348 2.000 -42.638 43.458 0.00 0.00 WAT1 ATOM 3024 H2 TIP3 348 0.928 -42.651 42.388 0.00 0.00 WAT1 ATOM 3025 OH2 TIP3 349 13.154 -45.468 28.583 0.00 0.00 WAT1 ATOM 3026 H1 TIP3 349 13.196 -45.691 27.653 0.00 0.00 WAT1 ATOM 3027 H2 TIP3 349 14.003 -45.070 28.773 0.00 0.00 WAT1 ATOM 3028 OH2 TIP3 350 4.490 -48.620 34.601 0.00 0.00 WAT1 ATOM 3029 H1 TIP3 350 3.597 -48.961 34.542 0.00 0.00 WAT1 ATOM 3030 H2 TIP3 350 4.941 -48.997 33.845 0.00 0.00 WAT1 ATOM 3031 OH2 TIP3 351 10.026 -48.204 33.418 0.00 0.00 WAT1 ATOM 3032 H1 TIP3 351 9.617 -47.389 33.126 0.00 0.00 WAT1 ATOM 3033 H2 TIP3 351 10.746 -48.344 32.803 0.00 0.00 WAT1 ATOM 3034 OH2 TIP3 352 11.030 -48.758 36.232 0.00 0.00 WAT1 ATOM 3035 H1 TIP3 352 10.835 -48.153 35.517 0.00 0.00 WAT1 ATOM 3036 H2 TIP3 352 11.212 -49.592 35.797 0.00 0.00 WAT1 ATOM 3037 OH2 TIP3 353 5.609 -51.147 28.354 0.00 0.00 WAT1 ATOM 3038 H1 TIP3 353 5.178 -51.592 29.084 0.00 0.00 WAT1 ATOM 3039 H2 TIP3 353 4.891 -50.775 27.842 0.00 0.00 WAT1 ATOM 3040 OH2 TIP3 354 0.126 -50.659 30.830 0.00 0.00 WAT1 ATOM 3041 H1 TIP3 354 0.600 -50.068 30.245 0.00 0.00 WAT1 ATOM 3042 H2 TIP3 354 -0.592 -50.128 31.177 0.00 0.00 WAT1 ATOM 3043 OH2 TIP3 355 10.294 -47.120 40.903 0.00 0.00 WAT1 ATOM 3044 H1 TIP3 355 10.618 -47.751 40.260 0.00 0.00 WAT1 ATOM 3045 H2 TIP3 355 9.854 -47.655 41.564 0.00 0.00 WAT1 ATOM 3046 OH2 TIP3 356 1.900 -49.564 34.514 0.00 0.00 WAT1 ATOM 3047 H1 TIP3 356 1.011 -49.464 34.174 0.00 0.00 WAT1 ATOM 3048 H2 TIP3 356 2.196 -50.406 34.168 0.00 0.00 WAT1 ATOM 3049 OH2 TIP3 357 5.553 -49.564 32.170 0.00 0.00 WAT1 ATOM 3050 H1 TIP3 357 6.485 -49.435 32.348 0.00 0.00 WAT1 ATOM 3051 H2 TIP3 357 5.338 -48.894 31.521 0.00 0.00 WAT1 ATOM 3052 OH2 TIP3 358 4.227 -48.369 29.737 0.00 0.00 WAT1 ATOM 3053 H1 TIP3 358 3.685 -48.749 29.046 0.00 0.00 WAT1 ATOM 3054 H2 TIP3 358 5.061 -48.175 29.308 0.00 0.00 WAT1 ATOM 3055 OH2 TIP3 359 2.362 -43.812 44.836 0.00 0.00 WAT1 ATOM 3056 H1 TIP3 359 3.095 -43.558 45.397 0.00 0.00 WAT1 ATOM 3057 H2 TIP3 359 1.582 -43.608 45.351 0.00 0.00 WAT1 ATOM 3058 OH2 TIP3 360 8.392 -48.405 37.574 0.00 0.00 WAT1 ATOM 3059 H1 TIP3 360 8.956 -48.952 37.027 0.00 0.00 WAT1 ATOM 3060 H2 TIP3 360 8.244 -48.927 38.363 0.00 0.00 WAT1 ATOM 3061 OH2 TIP3 361 14.712 -44.671 40.459 0.00 0.00 WAT1 ATOM 3062 H1 TIP3 361 15.354 -44.214 39.916 0.00 0.00 WAT1 ATOM 3063 H2 TIP3 361 13.882 -44.558 39.997 0.00 0.00 WAT1 ATOM 3064 OH2 TIP3 362 11.460 -50.990 29.872 0.00 0.00 WAT1 ATOM 3065 H1 TIP3 362 10.522 -50.878 29.721 0.00 0.00 WAT1 ATOM 3066 H2 TIP3 362 11.757 -50.133 30.178 0.00 0.00 WAT1 ATOM 3067 OH2 TIP3 363 9.082 -43.620 42.910 0.00 0.00 WAT1 ATOM 3068 H1 TIP3 363 8.736 -44.001 43.716 0.00 0.00 WAT1 ATOM 3069 H2 TIP3 363 8.882 -42.686 42.981 0.00 0.00 WAT1 ATOM 3070 OH2 TIP3 364 12.178 -49.123 31.533 0.00 0.00 WAT1 ATOM 3071 H1 TIP3 364 13.070 -49.260 31.852 0.00 0.00 WAT1 ATOM 3072 H2 TIP3 364 12.235 -48.332 30.996 0.00 0.00 WAT1 ATOM 3073 OH2 TIP3 365 2.687 -44.509 37.442 0.00 0.00 WAT1 ATOM 3074 H1 TIP3 365 3.432 -44.511 36.841 0.00 0.00 WAT1 ATOM 3075 H2 TIP3 365 2.765 -45.333 37.924 0.00 0.00 WAT1 ATOM 3076 OH2 TIP3 366 -0.305 -46.048 42.757 0.00 0.00 WAT1 ATOM 3077 H1 TIP3 366 -0.082 -46.466 43.589 0.00 0.00 WAT1 ATOM 3078 H2 TIP3 366 -0.907 -46.661 42.335 0.00 0.00 WAT1 ATOM 3079 OH2 TIP3 367 17.063 -48.913 31.227 0.00 0.00 WAT1 ATOM 3080 H1 TIP3 367 16.509 -49.309 30.555 0.00 0.00 WAT1 ATOM 3081 H2 TIP3 367 17.164 -48.003 30.950 0.00 0.00 WAT1 ATOM 3082 OH2 TIP3 368 17.027 -43.113 44.064 0.00 0.00 WAT1 ATOM 3083 H1 TIP3 368 16.175 -42.875 43.697 0.00 0.00 WAT1 ATOM 3084 H2 TIP3 368 17.617 -43.130 43.311 0.00 0.00 WAT1 ATOM 3085 OH2 TIP3 369 12.519 -45.319 38.714 0.00 0.00 WAT1 ATOM 3086 H1 TIP3 369 11.591 -45.551 38.687 0.00 0.00 WAT1 ATOM 3087 H2 TIP3 369 12.970 -46.096 38.384 0.00 0.00 WAT1 ATOM 3088 OH2 TIP3 370 8.048 -50.174 33.137 0.00 0.00 WAT1 ATOM 3089 H1 TIP3 370 8.860 -49.670 33.183 0.00 0.00 WAT1 ATOM 3090 H2 TIP3 370 7.803 -50.319 34.051 0.00 0.00 WAT1 ATOM 3091 OH2 TIP3 371 4.589 -52.030 30.763 0.00 0.00 WAT1 ATOM 3092 H1 TIP3 371 4.506 -51.141 31.109 0.00 0.00 WAT1 ATOM 3093 H2 TIP3 371 5.479 -52.295 30.994 0.00 0.00 WAT1 ATOM 3094 OH2 TIP3 372 13.390 -47.530 37.253 0.00 0.00 WAT1 ATOM 3095 H1 TIP3 372 12.593 -47.945 36.924 0.00 0.00 WAT1 ATOM 3096 H2 TIP3 372 13.835 -48.221 37.744 0.00 0.00 WAT1 ATOM 3097 OH2 TIP3 373 1.164 -48.938 28.939 0.00 0.00 WAT1 ATOM 3098 H1 TIP3 373 1.119 -47.999 29.118 0.00 0.00 WAT1 ATOM 3099 H2 TIP3 373 0.276 -49.174 28.669 0.00 0.00 WAT1 ATOM 3100 OH2 TIP3 374 0.902 -40.216 33.773 0.00 0.00 WAT1 ATOM 3101 H1 TIP3 374 0.070 -39.743 33.800 0.00 0.00 WAT1 ATOM 3102 H2 TIP3 374 1.448 -39.706 33.174 0.00 0.00 WAT1 ATOM 3103 OH2 TIP3 375 0.191 -37.603 45.103 0.00 0.00 WAT1 ATOM 3104 H1 TIP3 375 0.731 -37.820 45.862 0.00 0.00 WAT1 ATOM 3105 H2 TIP3 375 -0.290 -38.409 44.913 0.00 0.00 WAT1 ATOM 3106 OH2 TIP3 376 4.788 -38.684 46.723 0.00 0.00 WAT1 ATOM 3107 H1 TIP3 376 5.556 -39.143 47.064 0.00 0.00 WAT1 ATOM 3108 H2 TIP3 376 4.767 -38.910 45.793 0.00 0.00 WAT1 ATOM 3109 OH2 TIP3 377 11.365 -40.304 45.452 0.00 0.00 WAT1 ATOM 3110 H1 TIP3 377 11.014 -41.160 45.695 0.00 0.00 WAT1 ATOM 3111 H2 TIP3 377 12.091 -40.161 46.059 0.00 0.00 WAT1 ATOM 3112 OH2 TIP3 378 0.098 -43.793 46.057 0.00 0.00 WAT1 ATOM 3113 H1 TIP3 378 0.242 -44.695 45.771 0.00 0.00 WAT1 ATOM 3114 H2 TIP3 378 -0.675 -43.507 45.569 0.00 0.00 WAT1 ATOM 3115 OH2 TIP3 379 6.753 -43.823 45.490 0.00 0.00 WAT1 ATOM 3116 H1 TIP3 379 6.425 -43.552 44.632 0.00 0.00 WAT1 ATOM 3117 H2 TIP3 379 6.905 -44.764 45.402 0.00 0.00 WAT1 ATOM 3118 OH2 TIP3 380 12.488 -43.907 42.873 0.00 0.00 WAT1 ATOM 3119 H1 TIP3 380 13.233 -43.319 42.753 0.00 0.00 WAT1 ATOM 3120 H2 TIP3 380 11.731 -43.325 42.936 0.00 0.00 WAT1 ATOM 3121 OH2 TIP3 381 6.659 -47.234 28.758 0.00 0.00 WAT1 ATOM 3122 H1 TIP3 381 6.479 -47.388 27.830 0.00 0.00 WAT1 ATOM 3123 H2 TIP3 381 7.610 -47.126 28.802 0.00 0.00 WAT1 ATOM 3124 OH2 TIP3 382 9.897 -45.113 46.129 0.00 0.00 WAT1 ATOM 3125 H1 TIP3 382 10.850 -45.029 46.101 0.00 0.00 WAT1 ATOM 3126 H2 TIP3 382 9.737 -45.824 46.748 0.00 0.00 WAT1 ATOM 3127 OH2 TIP3 383 7.211 -46.420 41.666 0.00 0.00 WAT1 ATOM 3128 H1 TIP3 383 7.962 -46.576 41.093 0.00 0.00 WAT1 ATOM 3129 H2 TIP3 383 6.872 -45.568 41.390 0.00 0.00 WAT1 ATOM 3130 OH2 TIP3 384 15.207 -42.267 46.664 0.00 0.00 WAT1 ATOM 3131 H1 TIP3 384 14.341 -42.372 47.058 0.00 0.00 WAT1 ATOM 3132 H2 TIP3 384 15.583 -41.508 47.111 0.00 0.00 WAT1 ATOM 3133 OH2 TIP3 385 17.170 -46.056 30.393 0.00 0.00 WAT1 ATOM 3134 H1 TIP3 385 16.649 -45.699 29.674 0.00 0.00 WAT1 ATOM 3135 H2 TIP3 385 17.137 -45.381 31.071 0.00 0.00 WAT1 ATOM 3136 OH2 TIP3 386 15.519 -48.816 28.944 0.00 0.00 WAT1 ATOM 3137 H1 TIP3 386 15.616 -48.149 28.264 0.00 0.00 WAT1 ATOM 3138 H2 TIP3 386 15.379 -49.632 28.462 0.00 0.00 WAT1 ATOM 3139 OH2 TIP3 387 14.689 -47.436 34.565 0.00 0.00 WAT1 ATOM 3140 H1 TIP3 387 14.539 -48.381 34.545 0.00 0.00 WAT1 ATOM 3141 H2 TIP3 387 14.335 -47.155 35.409 0.00 0.00 WAT1 ATOM 3142 OH2 TIP3 388 -0.276 -45.358 38.575 0.00 0.00 WAT1 ATOM 3143 H1 TIP3 388 -0.092 -45.440 37.640 0.00 0.00 WAT1 ATOM 3144 H2 TIP3 388 0.573 -45.482 38.999 0.00 0.00 WAT1 ATOM 3145 OH2 TIP3 389 15.545 -45.466 44.204 0.00 0.00 WAT1 ATOM 3146 H1 TIP3 389 16.128 -46.200 44.395 0.00 0.00 WAT1 ATOM 3147 H2 TIP3 389 16.109 -44.694 44.250 0.00 0.00 WAT1 ATOM 3148 OH2 TIP3 390 14.399 -49.853 33.027 0.00 0.00 WAT1 ATOM 3149 H1 TIP3 390 14.679 -50.760 33.152 0.00 0.00 WAT1 ATOM 3150 H2 TIP3 390 15.158 -49.419 32.638 0.00 0.00 WAT1 ATOM 3151 OH2 TIP3 391 15.011 -49.272 38.463 0.00 0.00 WAT1 ATOM 3152 H1 TIP3 391 15.944 -49.060 38.429 0.00 0.00 WAT1 ATOM 3153 H2 TIP3 391 14.776 -49.170 39.386 0.00 0.00 WAT1 ATOM 3154 OH2 TIP3 392 15.040 -48.535 41.239 0.00 0.00 WAT1 ATOM 3155 H1 TIP3 392 14.197 -48.267 41.605 0.00 0.00 WAT1 ATOM 3156 H2 TIP3 392 15.483 -47.713 41.028 0.00 0.00 WAT1 ATOM 3157 OH2 TIP3 393 1.316 -40.605 45.219 0.00 0.00 WAT1 ATOM 3158 H1 TIP3 393 0.495 -40.430 44.759 0.00 0.00 WAT1 ATOM 3159 H2 TIP3 393 1.064 -40.678 46.140 0.00 0.00 WAT1 ATOM 3160 OH2 TIP3 394 15.129 -39.003 44.834 0.00 0.00 WAT1 ATOM 3161 H1 TIP3 394 14.347 -39.189 44.314 0.00 0.00 WAT1 ATOM 3162 H2 TIP3 394 15.057 -38.074 45.051 0.00 0.00 WAT1 ATOM 3163 OH2 TIP3 395 16.565 -40.385 47.999 0.00 0.00 WAT1 ATOM 3164 H1 TIP3 395 16.638 -39.446 48.169 0.00 0.00 WAT1 ATOM 3165 H2 TIP3 395 17.470 -40.690 47.942 0.00 0.00 WAT1 ATOM 3166 OH2 TIP3 396 11.977 -37.654 48.662 0.00 0.00 WAT1 ATOM 3167 H1 TIP3 396 12.352 -38.398 48.191 0.00 0.00 WAT1 ATOM 3168 H2 TIP3 396 11.981 -37.924 49.580 0.00 0.00 WAT1 ATOM 3169 OH2 TIP3 397 9.688 -42.345 49.554 0.00 0.00 WAT1 ATOM 3170 H1 TIP3 397 9.393 -41.519 49.936 0.00 0.00 WAT1 ATOM 3171 H2 TIP3 397 8.985 -42.965 49.750 0.00 0.00 WAT1 ATOM 3172 OH2 TIP3 398 17.255 -37.671 48.570 0.00 0.00 WAT1 ATOM 3173 H1 TIP3 398 17.998 -37.085 48.430 0.00 0.00 WAT1 ATOM 3174 H2 TIP3 398 16.560 -37.103 48.903 0.00 0.00 WAT1 ATOM 3175 OH2 TIP3 399 6.842 -41.039 46.816 0.00 0.00 WAT1 ATOM 3176 H1 TIP3 399 7.081 -41.787 46.268 0.00 0.00 WAT1 ATOM 3177 H2 TIP3 399 6.573 -41.427 47.648 0.00 0.00 WAT1 ATOM 3178 OH2 TIP3 400 5.779 -41.469 49.272 0.00 0.00 WAT1 ATOM 3179 H1 TIP3 400 5.926 -41.989 50.062 0.00 0.00 WAT1 ATOM 3180 H2 TIP3 400 5.776 -40.562 49.578 0.00 0.00 WAT1 ATOM 3181 OH2 TIP3 401 8.517 -39.771 50.021 0.00 0.00 WAT1 ATOM 3182 H1 TIP3 401 7.700 -39.274 50.074 0.00 0.00 WAT1 ATOM 3183 H2 TIP3 401 9.046 -39.296 49.381 0.00 0.00 WAT1 ATOM 3184 OH2 TIP3 402 5.855 -38.728 50.003 0.00 0.00 WAT1 ATOM 3185 H1 TIP3 402 6.016 -37.928 49.502 0.00 0.00 WAT1 ATOM 3186 H2 TIP3 402 5.658 -38.421 50.888 0.00 0.00 WAT1 ATOM 3187 OH2 TIP3 403 2.848 -41.602 48.679 0.00 0.00 WAT1 ATOM 3188 H1 TIP3 403 3.440 -40.903 48.955 0.00 0.00 WAT1 ATOM 3189 H2 TIP3 403 3.307 -42.035 47.960 0.00 0.00 WAT1 ATOM 3190 OH2 TIP3 404 8.880 -39.176 46.954 0.00 0.00 WAT1 ATOM 3191 H1 TIP3 404 8.236 -39.807 47.276 0.00 0.00 WAT1 ATOM 3192 H2 TIP3 404 9.642 -39.707 46.722 0.00 0.00 WAT1 ATOM 3193 OH2 TIP3 405 13.484 -39.359 47.188 0.00 0.00 WAT1 ATOM 3194 H1 TIP3 405 13.767 -40.153 47.641 0.00 0.00 WAT1 ATOM 3195 H2 TIP3 405 14.224 -39.126 46.627 0.00 0.00 WAT1 ATOM 3196 OH2 TIP3 406 4.439 -43.449 47.045 0.00 0.00 WAT1 ATOM 3197 H1 TIP3 406 4.503 -44.243 47.576 0.00 0.00 WAT1 ATOM 3198 H2 TIP3 406 5.092 -43.568 46.356 0.00 0.00 WAT1 ATOM 3199 OH2 TIP3 407 9.791 -42.402 46.781 0.00 0.00 WAT1 ATOM 3200 H1 TIP3 407 9.523 -42.222 47.682 0.00 0.00 WAT1 ATOM 3201 H2 TIP3 407 9.585 -43.328 46.650 0.00 0.00 WAT1 ATOM 3202 OH2 TIP3 408 6.557 -36.543 48.615 0.00 0.00 WAT1 ATOM 3203 H1 TIP3 408 7.490 -36.385 48.759 0.00 0.00 WAT1 ATOM 3204 H2 TIP3 408 6.293 -35.868 47.990 0.00 0.00 WAT1 ATOM 3205 OH2 TIP3 409 9.202 -37.317 48.860 0.00 0.00 WAT1 ATOM 3206 H1 TIP3 409 10.068 -36.951 48.682 0.00 0.00 WAT1 ATOM 3207 H2 TIP3 409 8.955 -37.757 48.047 0.00 0.00 WAT1 ATOM 3208 OH2 TIP3 410 2.156 -37.607 47.488 0.00 0.00 WAT1 ATOM 3209 H1 TIP3 410 1.888 -37.320 48.361 0.00 0.00 WAT1 ATOM 3210 H2 TIP3 410 2.927 -38.153 47.640 0.00 0.00 WAT1 ATOM 3211 OH2 TIP3 411 10.679 -26.261 -2.848 0.00 0.00 WAT1 ATOM 3212 H1 TIP3 411 10.768 -25.317 -2.980 0.00 0.00 WAT1 ATOM 3213 H2 TIP3 411 10.040 -26.536 -3.506 0.00 0.00 WAT1 ATOM 3214 OH2 TIP3 412 10.429 -18.962 -0.915 0.00 0.00 WAT1 ATOM 3215 H1 TIP3 412 11.049 -19.639 -1.188 0.00 0.00 WAT1 ATOM 3216 H2 TIP3 412 10.221 -19.180 -0.007 0.00 0.00 WAT1 ATOM 3217 OH2 TIP3 413 11.142 -30.179 1.305 0.00 0.00 WAT1 ATOM 3218 H1 TIP3 413 11.285 -31.126 1.325 0.00 0.00 WAT1 ATOM 3219 H2 TIP3 413 11.036 -29.972 0.376 0.00 0.00 WAT1 ATOM 3220 OH2 TIP3 414 6.073 -28.131 -1.445 0.00 0.00 WAT1 ATOM 3221 H1 TIP3 414 6.689 -28.657 -0.936 0.00 0.00 WAT1 ATOM 3222 H2 TIP3 414 5.487 -28.771 -1.849 0.00 0.00 WAT1 ATOM 3223 OH2 TIP3 415 17.056 -31.494 4.074 0.00 0.00 WAT1 ATOM 3224 H1 TIP3 415 16.367 -30.836 3.979 0.00 0.00 WAT1 ATOM 3225 H2 TIP3 415 17.071 -31.691 5.011 0.00 0.00 WAT1 ATOM 3226 OH2 TIP3 416 10.476 -23.660 -3.805 0.00 0.00 WAT1 ATOM 3227 H1 TIP3 416 10.180 -23.982 -4.656 0.00 0.00 WAT1 ATOM 3228 H2 TIP3 416 10.152 -22.760 -3.763 0.00 0.00 WAT1 ATOM 3229 OH2 TIP3 417 5.676 -25.484 2.939 0.00 0.00 WAT1 ATOM 3230 H1 TIP3 417 4.936 -24.886 3.042 0.00 0.00 WAT1 ATOM 3231 H2 TIP3 417 6.390 -24.930 2.623 0.00 0.00 WAT1 ATOM 3232 OH2 TIP3 418 4.084 -23.520 3.726 0.00 0.00 WAT1 ATOM 3233 H1 TIP3 418 4.078 -22.641 3.348 0.00 0.00 WAT1 ATOM 3234 H2 TIP3 418 3.230 -23.603 4.151 0.00 0.00 WAT1 ATOM 3235 OH2 TIP3 419 12.082 -20.446 -2.154 0.00 0.00 WAT1 ATOM 3236 H1 TIP3 419 12.507 -21.153 -2.639 0.00 0.00 WAT1 ATOM 3237 H2 TIP3 419 12.399 -19.645 -2.571 0.00 0.00 WAT1 ATOM 3238 OH2 TIP3 420 13.241 -22.545 -3.645 0.00 0.00 WAT1 ATOM 3239 H1 TIP3 420 12.984 -23.235 -4.257 0.00 0.00 WAT1 ATOM 3240 H2 TIP3 420 13.312 -22.988 -2.800 0.00 0.00 WAT1 ATOM 3241 OH2 TIP3 421 9.400 -27.017 -5.396 0.00 0.00 WAT1 ATOM 3242 H1 TIP3 421 8.688 -26.482 -5.747 0.00 0.00 WAT1 ATOM 3243 H2 TIP3 421 10.091 -26.961 -6.056 0.00 0.00 WAT1 ATOM 3244 OH2 TIP3 422 16.769 -27.639 2.898 0.00 0.00 WAT1 ATOM 3245 H1 TIP3 422 16.117 -26.944 2.987 0.00 0.00 WAT1 ATOM 3246 H2 TIP3 422 17.234 -27.429 2.088 0.00 0.00 WAT1 ATOM 3247 OH2 TIP3 423 12.806 -26.807 -4.444 0.00 0.00 WAT1 ATOM 3248 H1 TIP3 423 12.074 -26.579 -3.871 0.00 0.00 WAT1 ATOM 3249 H2 TIP3 423 13.253 -27.521 -3.989 0.00 0.00 WAT1 ATOM 3250 OH2 TIP3 424 5.818 -22.749 0.120 0.00 0.00 WAT1 ATOM 3251 H1 TIP3 424 5.723 -23.327 -0.637 0.00 0.00 WAT1 ATOM 3252 H2 TIP3 424 6.547 -23.120 0.616 0.00 0.00 WAT1 ATOM 3253 OH2 TIP3 425 4.818 -27.408 1.072 0.00 0.00 WAT1 ATOM 3254 H1 TIP3 425 5.383 -27.287 0.309 0.00 0.00 WAT1 ATOM 3255 H2 TIP3 425 5.137 -26.771 1.711 0.00 0.00 WAT1 ATOM 3256 OH2 TIP3 426 5.698 -23.009 5.789 0.00 0.00 WAT1 ATOM 3257 H1 TIP3 426 5.386 -22.227 6.245 0.00 0.00 WAT1 ATOM 3258 H2 TIP3 426 5.048 -23.162 5.103 0.00 0.00 WAT1 ATOM 3259 OH2 TIP3 427 2.618 -26.811 5.018 0.00 0.00 WAT1 ATOM 3260 H1 TIP3 427 2.688 -26.160 5.716 0.00 0.00 WAT1 ATOM 3261 H2 TIP3 427 1.727 -26.708 4.683 0.00 0.00 WAT1 ATOM 3262 OH2 TIP3 428 9.403 -20.908 -3.324 0.00 0.00 WAT1 ATOM 3263 H1 TIP3 428 9.877 -20.613 -2.546 0.00 0.00 WAT1 ATOM 3264 H2 TIP3 428 8.840 -20.170 -3.557 0.00 0.00 WAT1 ATOM 3265 OH2 TIP3 429 3.937 -20.937 6.553 0.00 0.00 WAT1 ATOM 3266 H1 TIP3 429 3.945 -21.073 5.605 0.00 0.00 WAT1 ATOM 3267 H2 TIP3 429 3.021 -21.055 6.805 0.00 0.00 WAT1 ATOM 3268 OH2 TIP3 430 -0.466 -24.744 3.843 0.00 0.00 WAT1 ATOM 3269 H1 TIP3 430 -0.967 -24.772 3.028 0.00 0.00 WAT1 ATOM 3270 H2 TIP3 430 -0.460 -25.650 4.153 0.00 0.00 WAT1 ATOM 3271 OH2 TIP3 431 14.634 -29.805 6.889 0.00 0.00 WAT1 ATOM 3272 H1 TIP3 431 14.227 -29.324 6.169 0.00 0.00 WAT1 ATOM 3273 H2 TIP3 431 14.675 -30.710 6.582 0.00 0.00 WAT1 ATOM 3274 OH2 TIP3 432 1.783 -23.421 4.886 0.00 0.00 WAT1 ATOM 3275 H1 TIP3 432 2.000 -23.782 5.746 0.00 0.00 WAT1 ATOM 3276 H2 TIP3 432 0.928 -23.795 4.676 0.00 0.00 WAT1 ATOM 3277 OH2 TIP3 433 12.391 -31.473 5.110 0.00 0.00 WAT1 ATOM 3278 H1 TIP3 433 11.877 -31.599 5.907 0.00 0.00 WAT1 ATOM 3279 H2 TIP3 433 12.236 -30.561 4.865 0.00 0.00 WAT1 ATOM 3280 OH2 TIP3 434 10.026 -29.348 -4.294 0.00 0.00 WAT1 ATOM 3281 H1 TIP3 434 9.617 -28.533 -4.586 0.00 0.00 WAT1 ATOM 3282 H2 TIP3 434 10.746 -29.488 -4.909 0.00 0.00 WAT1 ATOM 3283 OH2 TIP3 435 9.128 -29.173 7.194 0.00 0.00 WAT1 ATOM 3284 H1 TIP3 435 8.565 -29.877 7.514 0.00 0.00 WAT1 ATOM 3285 H2 TIP3 435 9.954 -29.293 7.661 0.00 0.00 WAT1 ATOM 3286 OH2 TIP3 436 11.030 -29.902 -1.480 0.00 0.00 WAT1 ATOM 3287 H1 TIP3 436 10.835 -29.297 -2.195 0.00 0.00 WAT1 ATOM 3288 H2 TIP3 436 11.212 -30.736 -1.915 0.00 0.00 WAT1 ATOM 3289 OH2 TIP3 437 2.243 -29.665 3.844 0.00 0.00 WAT1 ATOM 3290 H1 TIP3 437 2.205 -29.265 4.712 0.00 0.00 WAT1 ATOM 3291 H2 TIP3 437 1.752 -30.482 3.934 0.00 0.00 WAT1 ATOM 3292 OH2 TIP3 438 11.477 -33.102 1.239 0.00 0.00 WAT1 ATOM 3293 H1 TIP3 438 10.800 -32.971 1.903 0.00 0.00 WAT1 ATOM 3294 H2 TIP3 438 10.991 -33.257 0.429 0.00 0.00 WAT1 ATOM 3295 OH2 TIP3 439 2.362 -24.956 7.124 0.00 0.00 WAT1 ATOM 3296 H1 TIP3 439 3.095 -24.702 7.685 0.00 0.00 WAT1 ATOM 3297 H2 TIP3 439 1.582 -24.752 7.639 0.00 0.00 WAT1 ATOM 3298 OH2 TIP3 440 8.392 -29.549 -0.138 0.00 0.00 WAT1 ATOM 3299 H1 TIP3 440 8.956 -30.096 -0.685 0.00 0.00 WAT1 ATOM 3300 H2 TIP3 440 8.244 -30.071 0.651 0.00 0.00 WAT1 ATOM 3301 OH2 TIP3 441 7.018 -31.161 2.276 0.00 0.00 WAT1 ATOM 3302 H1 TIP3 441 6.183 -30.707 2.386 0.00 0.00 WAT1 ATOM 3303 H2 TIP3 441 7.542 -30.885 3.028 0.00 0.00 WAT1 ATOM 3304 OH2 TIP3 442 -0.305 -27.192 5.045 0.00 0.00 WAT1 ATOM 3305 H1 TIP3 442 -0.082 -27.610 5.877 0.00 0.00 WAT1 ATOM 3306 H2 TIP3 442 -0.907 -27.805 4.623 0.00 0.00 WAT1 ATOM 3307 OH2 TIP3 443 6.712 -27.675 7.258 0.00 0.00 WAT1 ATOM 3308 H1 TIP3 443 6.416 -27.841 6.363 0.00 0.00 WAT1 ATOM 3309 H2 TIP3 443 7.643 -27.895 7.248 0.00 0.00 WAT1 ATOM 3310 OH2 TIP3 444 6.489 -24.472 -3.289 0.00 0.00 WAT1 ATOM 3311 H1 TIP3 444 6.248 -23.547 -3.247 0.00 0.00 WAT1 ATOM 3312 H2 TIP3 444 5.749 -24.931 -2.893 0.00 0.00 WAT1 ATOM 3313 OH2 TIP3 445 7.004 -20.323 3.026 0.00 0.00 WAT1 ATOM 3314 H1 TIP3 445 7.367 -19.468 2.793 0.00 0.00 WAT1 ATOM 3315 H2 TIP3 445 7.536 -20.615 3.767 0.00 0.00 WAT1 ATOM 3316 OH2 TIP3 446 13.617 -24.622 -5.973 0.00 0.00 WAT1 ATOM 3317 H1 TIP3 446 13.340 -25.350 -5.417 0.00 0.00 WAT1 ATOM 3318 H2 TIP3 446 14.544 -24.503 -5.767 0.00 0.00 WAT1 ATOM 3319 OH2 TIP3 447 10.064 -32.698 3.493 0.00 0.00 WAT1 ATOM 3320 H1 TIP3 447 10.762 -32.624 4.143 0.00 0.00 WAT1 ATOM 3321 H2 TIP3 447 9.683 -33.562 3.648 0.00 0.00 WAT1 ATOM 3322 OH2 TIP3 448 8.584 -30.332 4.610 0.00 0.00 WAT1 ATOM 3323 H1 TIP3 448 8.703 -29.758 5.367 0.00 0.00 WAT1 ATOM 3324 H2 TIP3 448 9.239 -31.020 4.725 0.00 0.00 WAT1 ATOM 3325 OH2 TIP3 449 14.788 -32.425 5.445 0.00 0.00 WAT1 ATOM 3326 H1 TIP3 449 13.872 -32.162 5.357 0.00 0.00 WAT1 ATOM 3327 H2 TIP3 449 15.124 -32.428 4.548 0.00 0.00 WAT1 ATOM 3328 OH2 TIP3 450 13.390 -28.674 -0.459 0.00 0.00 WAT1 ATOM 3329 H1 TIP3 450 12.593 -29.089 -0.788 0.00 0.00 WAT1 ATOM 3330 H2 TIP3 450 13.835 -29.365 0.032 0.00 0.00 WAT1 ATOM 3331 OH2 TIP3 451 6.753 -24.967 7.778 0.00 0.00 WAT1 ATOM 3332 H1 TIP3 451 6.425 -24.696 6.920 0.00 0.00 WAT1 ATOM 3333 H2 TIP3 451 6.905 -25.908 7.690 0.00 0.00 WAT1 ATOM 3334 OH2 TIP3 452 4.877 -28.728 5.139 0.00 0.00 WAT1 ATOM 3335 H1 TIP3 452 4.259 -28.053 5.420 0.00 0.00 WAT1 ATOM 3336 H2 TIP3 452 5.221 -28.407 4.306 0.00 0.00 WAT1 ATOM 3337 OH2 TIP3 453 9.897 -26.257 8.417 0.00 0.00 WAT1 ATOM 3338 H1 TIP3 453 10.850 -26.173 8.389 0.00 0.00 WAT1 ATOM 3339 H2 TIP3 453 9.737 -26.968 9.036 0.00 0.00 WAT1 ATOM 3340 OH2 TIP3 454 5.217 -31.373 6.222 0.00 0.00 WAT1 ATOM 3341 H1 TIP3 454 5.367 -32.102 5.619 0.00 0.00 WAT1 ATOM 3342 H2 TIP3 454 5.219 -30.596 5.663 0.00 0.00 WAT1 ATOM 3343 OH2 TIP3 455 7.211 -27.564 3.954 0.00 0.00 WAT1 ATOM 3344 H1 TIP3 455 7.962 -27.720 3.381 0.00 0.00 WAT1 ATOM 3345 H2 TIP3 455 6.872 -26.712 3.678 0.00 0.00 WAT1 ATOM 3346 OH2 TIP3 456 11.627 -29.749 8.982 0.00 0.00 WAT1 ATOM 3347 H1 TIP3 456 11.819 -30.680 8.871 0.00 0.00 WAT1 ATOM 3348 H2 TIP3 456 12.484 -29.324 8.972 0.00 0.00 WAT1 ATOM 3349 OH2 TIP3 457 3.695 -30.175 8.133 0.00 0.00 WAT1 ATOM 3350 H1 TIP3 457 2.928 -30.707 7.923 0.00 0.00 WAT1 ATOM 3351 H2 TIP3 457 4.374 -30.485 7.534 0.00 0.00 WAT1 ATOM 3352 OH2 TIP3 458 7.699 -31.225 7.709 0.00 0.00 WAT1 ATOM 3353 H1 TIP3 458 7.463 -31.445 8.611 0.00 0.00 WAT1 ATOM 3354 H2 TIP3 458 6.916 -31.432 7.200 0.00 0.00 WAT1 ATOM 3355 OH2 TIP3 459 10.415 -32.098 6.785 0.00 0.00 WAT1 ATOM 3356 H1 TIP3 459 9.467 -32.066 6.917 0.00 0.00 WAT1 ATOM 3357 H2 TIP3 459 10.727 -32.723 7.439 0.00 0.00 WAT1 ATOM 3358 OH2 TIP3 460 12.049 -33.464 8.790 0.00 0.00 WAT1 ATOM 3359 H1 TIP3 460 11.952 -34.416 8.784 0.00 0.00 WAT1 ATOM 3360 H2 TIP3 460 11.727 -33.195 9.651 0.00 0.00 WAT1 ATOM 3361 OH2 TIP3 461 1.876 -32.254 7.838 0.00 0.00 WAT1 ATOM 3362 H1 TIP3 461 2.087 -32.961 7.227 0.00 0.00 WAT1 ATOM 3363 H2 TIP3 461 1.764 -32.692 8.682 0.00 0.00 WAT1 ATOM 3364 OH2 TIP3 462 7.010 -34.570 8.871 0.00 0.00 WAT1 ATOM 3365 H1 TIP3 462 6.879 -35.046 8.050 0.00 0.00 WAT1 ATOM 3366 H2 TIP3 462 6.411 -33.826 8.815 0.00 0.00 WAT1 ATOM 3367 OH2 TIP3 463 17.193 -18.768 1.392 0.00 0.00 WAT1 ATOM 3368 H1 TIP3 463 17.171 -18.583 2.331 0.00 0.00 WAT1 ATOM 3369 H2 TIP3 463 17.883 -18.199 1.051 0.00 0.00 WAT1 ATOM 3370 OH2 TIP3 464 16.902 -27.101 -3.710 0.00 0.00 WAT1 ATOM 3371 H1 TIP3 464 16.176 -27.580 -3.312 0.00 0.00 WAT1 ATOM 3372 H2 TIP3 464 17.483 -26.895 -2.978 0.00 0.00 WAT1 ATOM 3373 OH2 TIP3 465 16.661 -24.316 1.238 0.00 0.00 WAT1 ATOM 3374 H1 TIP3 465 17.495 -24.694 0.957 0.00 0.00 WAT1 ATOM 3375 H2 TIP3 465 16.773 -23.373 1.119 0.00 0.00 WAT1 ATOM 3376 OH2 TIP3 466 14.689 -28.580 -3.147 0.00 0.00 WAT1 ATOM 3377 H1 TIP3 466 14.539 -29.525 -3.167 0.00 0.00 WAT1 ATOM 3378 H2 TIP3 466 14.335 -28.299 -2.303 0.00 0.00 WAT1 ATOM 3379 OH2 TIP3 467 17.042 -28.707 7.176 0.00 0.00 WAT1 ATOM 3380 H1 TIP3 467 16.179 -29.086 7.011 0.00 0.00 WAT1 ATOM 3381 H2 TIP3 467 17.646 -29.446 7.102 0.00 0.00 WAT1 ATOM 3382 OH2 TIP3 468 15.011 -30.416 0.751 0.00 0.00 WAT1 ATOM 3383 H1 TIP3 468 15.944 -30.204 0.717 0.00 0.00 WAT1 ATOM 3384 H2 TIP3 468 14.776 -30.314 1.674 0.00 0.00 WAT1 ATOM 3385 OH2 TIP3 469 15.040 -29.679 3.527 0.00 0.00 WAT1 ATOM 3386 H1 TIP3 469 14.197 -29.411 3.893 0.00 0.00 WAT1 ATOM 3387 H2 TIP3 469 15.483 -28.857 3.316 0.00 0.00 WAT1 ATOM 3388 OH2 TIP3 470 -0.678 -31.231 7.004 0.00 0.00 WAT1 ATOM 3389 H1 TIP3 470 0.241 -31.353 7.240 0.00 0.00 WAT1 ATOM 3390 H2 TIP3 470 -1.128 -31.981 7.393 0.00 0.00 WAT1 ATOM 3391 OH2 TIP3 471 17.323 -35.699 8.881 0.00 0.00 WAT1 ATOM 3392 H1 TIP3 471 17.673 -36.353 8.275 0.00 0.00 WAT1 ATOM 3393 H2 TIP3 471 17.470 -34.862 8.441 0.00 0.00 WAT1 ATOM 3394 OH2 TIP3 472 16.843 -33.590 7.230 0.00 0.00 WAT1 ATOM 3395 H1 TIP3 472 15.926 -33.319 7.194 0.00 0.00 WAT1 ATOM 3396 H2 TIP3 472 16.966 -34.125 6.446 0.00 0.00 WAT1 ATOM 3397 OH2 TIP3 473 13.931 -18.678 -3.036 0.00 0.00 WAT1 ATOM 3398 H1 TIP3 473 14.584 -19.025 -3.644 0.00 0.00 WAT1 ATOM 3399 H2 TIP3 473 14.442 -18.189 -2.390 0.00 0.00 WAT1 ATOM 3400 OH2 TIP3 474 1.316 -21.749 7.507 0.00 0.00 WAT1 ATOM 3401 H1 TIP3 474 0.495 -21.574 7.047 0.00 0.00 WAT1 ATOM 3402 H2 TIP3 474 1.064 -21.822 8.428 0.00 0.00 WAT1 ATOM 3403 OH2 TIP3 475 4.270 -20.774 3.766 0.00 0.00 WAT1 ATOM 3404 H1 TIP3 475 3.845 -19.965 3.483 0.00 0.00 WAT1 ATOM 3405 H2 TIP3 475 5.175 -20.689 3.464 0.00 0.00 WAT1 ATOM 3406 OH2 TIP3 476 4.139 -17.918 2.843 0.00 0.00 WAT1 ATOM 3407 H1 TIP3 476 3.274 -17.846 3.247 0.00 0.00 WAT1 ATOM 3408 H2 TIP3 476 4.084 -17.371 2.059 0.00 0.00 WAT1 ATOM 3409 OH2 TIP3 477 8.850 -18.030 2.019 0.00 0.00 WAT1 ATOM 3410 H1 TIP3 477 8.393 -17.501 1.365 0.00 0.00 WAT1 ATOM 3411 H2 TIP3 477 9.013 -17.427 2.744 0.00 0.00 WAT1 ATOM 3412 OH2 TIP3 478 5.765 -19.715 0.227 0.00 0.00 WAT1 ATOM 3413 H1 TIP3 478 5.978 -20.603 -0.060 0.00 0.00 WAT1 ATOM 3414 H2 TIP3 478 5.830 -19.749 1.182 0.00 0.00 WAT1 ATOM 3415 OH2 TIP3 479 3.531 -35.552 8.247 0.00 0.00 WAT1 ATOM 3416 H1 TIP3 479 4.430 -35.826 8.062 0.00 0.00 WAT1 ATOM 3417 H2 TIP3 479 3.145 -36.295 8.711 0.00 0.00 WAT1 ATOM 3418 OH2 TIP3 480 11.953 -36.220 8.429 0.00 0.00 WAT1 ATOM 3419 H1 TIP3 480 12.029 -36.646 9.283 0.00 0.00 WAT1 ATOM 3420 H2 TIP3 480 12.846 -36.206 8.087 0.00 0.00 WAT1 ATOM 3421 OH2 TIP3 481 2.529 -19.163 15.728 0.00 0.00 WAT1 ATOM 3422 H1 TIP3 481 2.681 -19.511 16.607 0.00 0.00 WAT1 ATOM 3423 H2 TIP3 481 1.678 -19.519 15.473 0.00 0.00 WAT1 ATOM 3424 OH2 TIP3 482 5.609 -32.291 9.498 0.00 0.00 WAT1 ATOM 3425 H1 TIP3 482 5.178 -32.736 10.228 0.00 0.00 WAT1 ATOM 3426 H2 TIP3 482 4.891 -31.919 8.986 0.00 0.00 WAT1 ATOM 3427 OH2 TIP3 483 0.126 -31.803 11.974 0.00 0.00 WAT1 ATOM 3428 H1 TIP3 483 0.600 -31.212 11.389 0.00 0.00 WAT1 ATOM 3429 H2 TIP3 483 -0.592 -31.272 12.321 0.00 0.00 WAT1 ATOM 3430 OH2 TIP3 484 2.848 -22.746 10.967 0.00 0.00 WAT1 ATOM 3431 H1 TIP3 484 3.440 -22.047 11.243 0.00 0.00 WAT1 ATOM 3432 H2 TIP3 484 3.307 -23.179 10.248 0.00 0.00 WAT1 ATOM 3433 OH2 TIP3 485 4.439 -24.593 9.333 0.00 0.00 WAT1 ATOM 3434 H1 TIP3 485 4.503 -25.387 9.864 0.00 0.00 WAT1 ATOM 3435 H2 TIP3 485 5.092 -24.712 8.644 0.00 0.00 WAT1 ATOM 3436 OH2 TIP3 486 6.659 -28.378 9.902 0.00 0.00 WAT1 ATOM 3437 H1 TIP3 486 6.479 -28.532 8.974 0.00 0.00 WAT1 ATOM 3438 H2 TIP3 486 7.610 -28.270 9.946 0.00 0.00 WAT1 ATOM 3439 OH2 TIP3 487 0.125 -23.051 10.386 0.00 0.00 WAT1 ATOM 3440 H1 TIP3 487 1.039 -22.972 10.659 0.00 0.00 WAT1 ATOM 3441 H2 TIP3 487 0.132 -23.738 9.719 0.00 0.00 WAT1 ATOM 3442 OH2 TIP3 488 -1.226 -17.658 15.463 0.00 0.00 WAT1 ATOM 3443 H1 TIP3 488 -1.873 -18.120 14.930 0.00 0.00 WAT1 ATOM 3444 H2 TIP3 488 -0.871 -18.330 16.046 0.00 0.00 WAT1 ATOM 3445 OH2 TIP3 489 -0.356 -19.577 17.268 0.00 0.00 WAT1 ATOM 3446 H1 TIP3 489 -0.690 -20.458 17.440 0.00 0.00 WAT1 ATOM 3447 H2 TIP3 489 -0.134 -19.232 18.132 0.00 0.00 WAT1 ATOM 3448 OH2 TIP3 490 15.519 -29.960 10.088 0.00 0.00 WAT1 ATOM 3449 H1 TIP3 490 15.616 -29.293 9.408 0.00 0.00 WAT1 ATOM 3450 H2 TIP3 490 15.379 -30.776 9.606 0.00 0.00 WAT1 ATOM 3451 OH2 TIP3 491 14.767 -32.552 9.205 0.00 0.00 WAT1 ATOM 3452 H1 TIP3 491 15.377 -32.924 9.842 0.00 0.00 WAT1 ATOM 3453 H2 TIP3 491 13.930 -32.974 9.401 0.00 0.00 WAT1 ATOM 3454 OH2 TIP3 492 1.087 -18.895 19.580 0.00 0.00 WAT1 ATOM 3455 H1 TIP3 492 1.068 -19.320 20.437 0.00 0.00 WAT1 ATOM 3456 H2 TIP3 492 1.892 -19.213 19.171 0.00 0.00 WAT1 ATOM 3457 OH2 TIP3 493 0.437 -35.619 11.853 0.00 0.00 WAT1 ATOM 3458 H1 TIP3 493 0.876 -35.008 11.262 0.00 0.00 WAT1 ATOM 3459 H2 TIP3 493 -0.197 -35.081 12.327 0.00 0.00 WAT1 ATOM 3460 OH2 TIP3 494 0.338 -19.671 12.751 0.00 0.00 WAT1 ATOM 3461 H1 TIP3 494 -0.347 -19.709 12.083 0.00 0.00 WAT1 ATOM 3462 H2 TIP3 494 0.341 -18.758 13.039 0.00 0.00 WAT1 ATOM 3463 OH2 TIP3 495 2.298 -33.703 10.296 0.00 0.00 WAT1 ATOM 3464 H1 TIP3 495 2.789 -34.333 9.768 0.00 0.00 WAT1 ATOM 3465 H2 TIP3 495 2.921 -33.407 10.959 0.00 0.00 WAT1 ATOM 3466 OH2 TIP3 496 2.156 -18.751 9.776 0.00 0.00 WAT1 ATOM 3467 H1 TIP3 496 1.888 -18.464 10.649 0.00 0.00 WAT1 ATOM 3468 H2 TIP3 496 2.927 -19.297 9.928 0.00 0.00 WAT1 ATOM 3469 OH2 TIP3 497 1.980 -27.391 39.876 0.00 0.00 WAT1 ATOM 3470 H1 TIP3 497 2.022 -28.017 40.600 0.00 0.00 WAT1 ATOM 3471 H2 TIP3 497 2.683 -26.768 40.058 0.00 0.00 WAT1 ATOM 3472 OH2 TIP3 498 13.318 -24.067 36.585 0.00 0.00 WAT1 ATOM 3473 H1 TIP3 498 12.877 -24.787 37.035 0.00 0.00 WAT1 ATOM 3474 H2 TIP3 498 13.305 -23.346 37.215 0.00 0.00 WAT1 ATOM 3475 OH2 TIP3 499 10.429 -18.962 36.797 0.00 0.00 WAT1 ATOM 3476 H1 TIP3 499 11.049 -19.639 36.524 0.00 0.00 WAT1 ATOM 3477 H2 TIP3 499 10.221 -19.180 37.705 0.00 0.00 WAT1 ATOM 3478 OH2 TIP3 500 4.084 -23.520 41.438 0.00 0.00 WAT1 ATOM 3479 H1 TIP3 500 4.078 -22.641 41.060 0.00 0.00 WAT1 ATOM 3480 H2 TIP3 500 3.230 -23.603 41.863 0.00 0.00 WAT1 ATOM 3481 OH2 TIP3 501 13.830 -22.227 38.933 0.00 0.00 WAT1 ATOM 3482 H1 TIP3 501 12.888 -22.169 39.094 0.00 0.00 WAT1 ATOM 3483 H2 TIP3 501 14.106 -21.321 38.796 0.00 0.00 WAT1 ATOM 3484 OH2 TIP3 502 12.082 -20.446 35.558 0.00 0.00 WAT1 ATOM 3485 H1 TIP3 502 12.507 -21.153 35.073 0.00 0.00 WAT1 ATOM 3486 H2 TIP3 502 12.399 -19.645 35.141 0.00 0.00 WAT1 ATOM 3487 OH2 TIP3 503 13.241 -22.545 34.067 0.00 0.00 WAT1 ATOM 3488 H1 TIP3 503 12.984 -23.235 33.455 0.00 0.00 WAT1 ATOM 3489 H2 TIP3 503 13.312 -22.988 34.912 0.00 0.00 WAT1 ATOM 3490 OH2 TIP3 504 14.927 -23.979 42.544 0.00 0.00 WAT1 ATOM 3491 H1 TIP3 504 15.067 -24.570 41.805 0.00 0.00 WAT1 ATOM 3492 H2 TIP3 504 15.095 -23.106 42.188 0.00 0.00 WAT1 ATOM 3493 OH2 TIP3 505 11.127 -21.905 39.518 0.00 0.00 WAT1 ATOM 3494 H1 TIP3 505 10.886 -21.243 40.166 0.00 0.00 WAT1 ATOM 3495 H2 TIP3 505 10.929 -22.739 39.943 0.00 0.00 WAT1 ATOM 3496 OH2 TIP3 506 5.698 -23.009 43.501 0.00 0.00 WAT1 ATOM 3497 H1 TIP3 506 5.386 -22.227 43.957 0.00 0.00 WAT1 ATOM 3498 H2 TIP3 506 5.048 -23.162 42.815 0.00 0.00 WAT1 ATOM 3499 OH2 TIP3 507 2.618 -26.811 42.730 0.00 0.00 WAT1 ATOM 3500 H1 TIP3 507 2.688 -26.160 43.428 0.00 0.00 WAT1 ATOM 3501 H2 TIP3 507 1.727 -26.708 42.395 0.00 0.00 WAT1 ATOM 3502 OH2 TIP3 508 -0.466 -24.744 41.555 0.00 0.00 WAT1 ATOM 3503 H1 TIP3 508 -0.967 -24.772 40.740 0.00 0.00 WAT1 ATOM 3504 H2 TIP3 508 -0.460 -25.650 41.865 0.00 0.00 WAT1 ATOM 3505 OH2 TIP3 509 -0.715 -21.964 38.439 0.00 0.00 WAT1 ATOM 3506 H1 TIP3 509 0.231 -22.108 38.420 0.00 0.00 WAT1 ATOM 3507 H2 TIP3 509 -0.828 -21.180 38.976 0.00 0.00 WAT1 ATOM 3508 OH2 TIP3 510 8.461 -21.724 42.997 0.00 0.00 WAT1 ATOM 3509 H1 TIP3 510 8.548 -20.898 43.472 0.00 0.00 WAT1 ATOM 3510 H2 TIP3 510 7.597 -22.054 43.246 0.00 0.00 WAT1 ATOM 3511 OH2 TIP3 511 1.783 -23.421 42.598 0.00 0.00 WAT1 ATOM 3512 H1 TIP3 511 2.000 -23.782 43.458 0.00 0.00 WAT1 ATOM 3513 H2 TIP3 511 0.928 -23.795 42.388 0.00 0.00 WAT1 ATOM 3514 OH2 TIP3 512 9.128 -29.173 44.906 0.00 0.00 WAT1 ATOM 3515 H1 TIP3 512 8.565 -29.877 45.226 0.00 0.00 WAT1 ATOM 3516 H2 TIP3 512 9.954 -29.293 45.373 0.00 0.00 WAT1 ATOM 3517 OH2 TIP3 513 2.243 -29.665 41.556 0.00 0.00 WAT1 ATOM 3518 H1 TIP3 513 2.205 -29.265 42.424 0.00 0.00 WAT1 ATOM 3519 H2 TIP3 513 1.752 -30.482 41.646 0.00 0.00 WAT1 ATOM 3520 OH2 TIP3 514 9.082 -24.764 42.910 0.00 0.00 WAT1 ATOM 3521 H1 TIP3 514 8.736 -25.145 43.716 0.00 0.00 WAT1 ATOM 3522 H2 TIP3 514 8.882 -23.830 42.981 0.00 0.00 WAT1 ATOM 3523 OH2 TIP3 515 -0.305 -27.192 42.757 0.00 0.00 WAT1 ATOM 3524 H1 TIP3 515 -0.082 -27.610 43.589 0.00 0.00 WAT1 ATOM 3525 H2 TIP3 515 -0.907 -27.805 42.335 0.00 0.00 WAT1 ATOM 3526 OH2 TIP3 516 6.712 -27.675 44.970 0.00 0.00 WAT1 ATOM 3527 H1 TIP3 516 6.416 -27.841 44.075 0.00 0.00 WAT1 ATOM 3528 H2 TIP3 516 7.643 -27.895 44.960 0.00 0.00 WAT1 ATOM 3529 OH2 TIP3 517 11.332 -22.302 42.860 0.00 0.00 WAT1 ATOM 3530 H1 TIP3 517 10.431 -22.119 42.592 0.00 0.00 WAT1 ATOM 3531 H2 TIP3 517 11.366 -22.043 43.781 0.00 0.00 WAT1 ATOM 3532 OH2 TIP3 518 17.027 -24.257 44.064 0.00 0.00 WAT1 ATOM 3533 H1 TIP3 518 16.175 -24.019 43.697 0.00 0.00 WAT1 ATOM 3534 H2 TIP3 518 17.617 -24.274 43.311 0.00 0.00 WAT1 ATOM 3535 OH2 TIP3 519 7.004 -20.323 40.738 0.00 0.00 WAT1 ATOM 3536 H1 TIP3 519 7.367 -19.468 40.505 0.00 0.00 WAT1 ATOM 3537 H2 TIP3 519 7.536 -20.615 41.479 0.00 0.00 WAT1 ATOM 3538 OH2 TIP3 520 0.980 -20.634 40.750 0.00 0.00 WAT1 ATOM 3539 H1 TIP3 520 1.197 -21.566 40.719 0.00 0.00 WAT1 ATOM 3540 H2 TIP3 520 1.227 -20.360 41.634 0.00 0.00 WAT1 ATOM 3541 OH2 TIP3 521 14.477 -19.418 38.875 0.00 0.00 WAT1 ATOM 3542 H1 TIP3 521 14.321 -18.740 38.218 0.00 0.00 WAT1 ATOM 3543 H2 TIP3 521 15.409 -19.346 39.078 0.00 0.00 WAT1 ATOM 3544 OH2 TIP3 522 6.753 -24.967 45.490 0.00 0.00 WAT1 ATOM 3545 H1 TIP3 522 6.425 -24.696 44.632 0.00 0.00 WAT1 ATOM 3546 H2 TIP3 522 6.905 -25.908 45.402 0.00 0.00 WAT1 ATOM 3547 OH2 TIP3 523 12.488 -25.051 42.873 0.00 0.00 WAT1 ATOM 3548 H1 TIP3 523 13.233 -24.463 42.753 0.00 0.00 WAT1 ATOM 3549 H2 TIP3 523 11.731 -24.469 42.936 0.00 0.00 WAT1 ATOM 3550 OH2 TIP3 524 4.877 -28.728 42.851 0.00 0.00 WAT1 ATOM 3551 H1 TIP3 524 4.259 -28.053 43.132 0.00 0.00 WAT1 ATOM 3552 H2 TIP3 524 5.221 -28.407 42.018 0.00 0.00 WAT1 ATOM 3553 OH2 TIP3 525 9.897 -26.257 46.129 0.00 0.00 WAT1 ATOM 3554 H1 TIP3 525 10.850 -26.173 46.101 0.00 0.00 WAT1 ATOM 3555 H2 TIP3 525 9.737 -26.968 46.748 0.00 0.00 WAT1 ATOM 3556 OH2 TIP3 526 5.217 -31.373 43.934 0.00 0.00 WAT1 ATOM 3557 H1 TIP3 526 5.367 -32.102 43.331 0.00 0.00 WAT1 ATOM 3558 H2 TIP3 526 5.219 -30.596 43.375 0.00 0.00 WAT1 ATOM 3559 OH2 TIP3 527 3.695 -30.175 45.845 0.00 0.00 WAT1 ATOM 3560 H1 TIP3 527 2.928 -30.707 45.635 0.00 0.00 WAT1 ATOM 3561 H2 TIP3 527 4.374 -30.485 45.246 0.00 0.00 WAT1 ATOM 3562 OH2 TIP3 528 7.699 -31.225 45.421 0.00 0.00 WAT1 ATOM 3563 H1 TIP3 528 7.463 -31.445 46.323 0.00 0.00 WAT1 ATOM 3564 H2 TIP3 528 6.916 -31.432 44.912 0.00 0.00 WAT1 ATOM 3565 OH2 TIP3 529 1.876 -32.254 45.550 0.00 0.00 WAT1 ATOM 3566 H1 TIP3 529 2.087 -32.961 44.939 0.00 0.00 WAT1 ATOM 3567 H2 TIP3 529 1.764 -32.692 46.394 0.00 0.00 WAT1 ATOM 3568 OH2 TIP3 530 7.010 -34.570 46.583 0.00 0.00 WAT1 ATOM 3569 H1 TIP3 530 6.879 -35.046 45.762 0.00 0.00 WAT1 ATOM 3570 H2 TIP3 530 6.411 -33.826 46.527 0.00 0.00 WAT1 ATOM 3571 OH2 TIP3 531 -0.356 -19.577 36.124 0.00 0.00 WAT1 ATOM 3572 H1 TIP3 531 -0.690 -20.458 36.296 0.00 0.00 WAT1 ATOM 3573 H2 TIP3 531 -0.134 -19.232 36.988 0.00 0.00 WAT1 ATOM 3574 OH2 TIP3 532 17.193 -18.768 39.104 0.00 0.00 WAT1 ATOM 3575 H1 TIP3 532 17.171 -18.583 40.043 0.00 0.00 WAT1 ATOM 3576 H2 TIP3 532 17.883 -18.199 38.763 0.00 0.00 WAT1 ATOM 3577 OH2 TIP3 533 15.207 -23.411 46.664 0.00 0.00 WAT1 ATOM 3578 H1 TIP3 533 14.341 -23.516 47.058 0.00 0.00 WAT1 ATOM 3579 H2 TIP3 533 15.583 -22.652 47.111 0.00 0.00 WAT1 ATOM 3580 OH2 TIP3 534 16.661 -24.316 38.950 0.00 0.00 WAT1 ATOM 3581 H1 TIP3 534 17.495 -24.694 38.669 0.00 0.00 WAT1 ATOM 3582 H2 TIP3 534 16.773 -23.373 38.831 0.00 0.00 WAT1 ATOM 3583 OH2 TIP3 535 15.148 -21.438 41.257 0.00 0.00 WAT1 ATOM 3584 H1 TIP3 535 14.500 -21.113 41.882 0.00 0.00 WAT1 ATOM 3585 H2 TIP3 535 14.630 -21.878 40.582 0.00 0.00 WAT1 ATOM 3586 OH2 TIP3 536 -0.678 -31.231 44.716 0.00 0.00 WAT1 ATOM 3587 H1 TIP3 536 0.241 -31.353 44.952 0.00 0.00 WAT1 ATOM 3588 H2 TIP3 536 -1.128 -31.981 45.105 0.00 0.00 WAT1 ATOM 3589 OH2 TIP3 537 4.270 -20.774 41.478 0.00 0.00 WAT1 ATOM 3590 H1 TIP3 537 3.845 -19.965 41.195 0.00 0.00 WAT1 ATOM 3591 H2 TIP3 537 5.175 -20.689 41.176 0.00 0.00 WAT1 ATOM 3592 OH2 TIP3 538 4.139 -17.918 40.555 0.00 0.00 WAT1 ATOM 3593 H1 TIP3 538 3.274 -17.846 40.959 0.00 0.00 WAT1 ATOM 3594 H2 TIP3 538 4.084 -17.371 39.771 0.00 0.00 WAT1 ATOM 3595 OH2 TIP3 539 8.850 -18.030 39.731 0.00 0.00 WAT1 ATOM 3596 H1 TIP3 539 8.393 -17.501 39.077 0.00 0.00 WAT1 ATOM 3597 H2 TIP3 539 9.013 -17.427 40.456 0.00 0.00 WAT1 ATOM 3598 OH2 TIP3 540 11.177 -19.152 40.676 0.00 0.00 WAT1 ATOM 3599 H1 TIP3 540 10.273 -18.987 40.410 0.00 0.00 WAT1 ATOM 3600 H2 TIP3 540 11.606 -18.299 40.610 0.00 0.00 WAT1 ATOM 3601 OH2 TIP3 541 1.087 -18.895 38.436 0.00 0.00 WAT1 ATOM 3602 H1 TIP3 541 1.068 -19.320 39.293 0.00 0.00 WAT1 ATOM 3603 H2 TIP3 541 1.892 -19.213 38.027 0.00 0.00 WAT1 ATOM 3604 OH2 TIP3 542 3.228 -20.185 37.091 0.00 0.00 WAT1 ATOM 3605 H1 TIP3 542 3.009 -21.101 37.260 0.00 0.00 WAT1 ATOM 3606 H2 TIP3 542 4.052 -20.045 37.557 0.00 0.00 WAT1 ATOM 3607 OH2 TIP3 543 5.765 -19.715 37.939 0.00 0.00 WAT1 ATOM 3608 H1 TIP3 543 5.978 -20.603 37.652 0.00 0.00 WAT1 ATOM 3609 H2 TIP3 543 5.830 -19.749 38.894 0.00 0.00 WAT1 ATOM 3610 OH2 TIP3 544 1.558 -34.903 44.423 0.00 0.00 WAT1 ATOM 3611 H1 TIP3 544 1.192 -35.668 44.866 0.00 0.00 WAT1 ATOM 3612 H2 TIP3 544 2.471 -34.874 44.710 0.00 0.00 WAT1 ATOM 3613 OH2 TIP3 545 3.531 -35.552 45.959 0.00 0.00 WAT1 ATOM 3614 H1 TIP3 545 4.430 -35.826 45.774 0.00 0.00 WAT1 ATOM 3615 H2 TIP3 545 3.145 -36.295 46.423 0.00 0.00 WAT1 ATOM 3616 OH2 TIP3 546 11.953 -36.220 46.141 0.00 0.00 WAT1 ATOM 3617 H1 TIP3 546 12.029 -36.646 46.995 0.00 0.00 WAT1 ATOM 3618 H2 TIP3 546 12.846 -36.206 45.799 0.00 0.00 WAT1 ATOM 3619 OH2 TIP3 547 9.400 -27.017 51.172 0.00 0.00 WAT1 ATOM 3620 H1 TIP3 547 8.688 -26.482 50.821 0.00 0.00 WAT1 ATOM 3621 H2 TIP3 547 10.091 -26.961 50.512 0.00 0.00 WAT1 ATOM 3622 OH2 TIP3 548 9.454 -28.559 48.211 0.00 0.00 WAT1 ATOM 3623 H1 TIP3 548 10.155 -28.537 48.862 0.00 0.00 WAT1 ATOM 3624 H2 TIP3 548 9.756 -29.187 47.555 0.00 0.00 WAT1 ATOM 3625 OH2 TIP3 549 12.806 -26.807 52.124 0.00 0.00 WAT1 ATOM 3626 H1 TIP3 549 12.074 -26.579 52.697 0.00 0.00 WAT1 ATOM 3627 H2 TIP3 549 13.253 -27.521 52.579 0.00 0.00 WAT1 ATOM 3628 OH2 TIP3 550 11.677 -27.645 49.809 0.00 0.00 WAT1 ATOM 3629 H1 TIP3 550 12.256 -27.495 50.556 0.00 0.00 WAT1 ATOM 3630 H2 TIP3 550 12.091 -27.174 49.086 0.00 0.00 WAT1 ATOM 3631 OH2 TIP3 551 15.375 -35.895 49.622 0.00 0.00 WAT1 ATOM 3632 H1 TIP3 551 14.476 -35.756 49.917 0.00 0.00 WAT1 ATOM 3633 H2 TIP3 551 15.627 -35.064 49.220 0.00 0.00 WAT1 ATOM 3634 OH2 TIP3 552 8.727 -32.736 48.109 0.00 0.00 WAT1 ATOM 3635 H1 TIP3 552 8.473 -32.717 49.032 0.00 0.00 WAT1 ATOM 3636 H2 TIP3 552 8.470 -33.608 47.808 0.00 0.00 WAT1 ATOM 3637 OH2 TIP3 553 10.026 -29.348 52.274 0.00 0.00 WAT1 ATOM 3638 H1 TIP3 553 9.617 -28.533 51.982 0.00 0.00 WAT1 ATOM 3639 H2 TIP3 553 10.746 -29.488 51.659 0.00 0.00 WAT1 ATOM 3640 OH2 TIP3 554 5.609 -32.291 47.210 0.00 0.00 WAT1 ATOM 3641 H1 TIP3 554 5.178 -32.736 47.940 0.00 0.00 WAT1 ATOM 3642 H2 TIP3 554 4.891 -31.919 46.698 0.00 0.00 WAT1 ATOM 3643 OH2 TIP3 555 12.178 -30.267 50.389 0.00 0.00 WAT1 ATOM 3644 H1 TIP3 555 13.070 -30.404 50.708 0.00 0.00 WAT1 ATOM 3645 H2 TIP3 555 12.235 -29.476 49.852 0.00 0.00 WAT1 ATOM 3646 OH2 TIP3 556 17.063 -30.057 50.083 0.00 0.00 WAT1 ATOM 3647 H1 TIP3 556 16.509 -30.453 49.411 0.00 0.00 WAT1 ATOM 3648 H2 TIP3 556 17.164 -29.147 49.806 0.00 0.00 WAT1 ATOM 3649 OH2 TIP3 557 12.751 -23.295 48.369 0.00 0.00 WAT1 ATOM 3650 H1 TIP3 557 13.104 -23.675 49.173 0.00 0.00 WAT1 ATOM 3651 H2 TIP3 557 11.802 -23.388 48.455 0.00 0.00 WAT1 ATOM 3652 OH2 TIP3 558 13.617 -24.622 50.595 0.00 0.00 WAT1 ATOM 3653 H1 TIP3 558 13.340 -25.350 51.151 0.00 0.00 WAT1 ATOM 3654 H2 TIP3 558 14.544 -24.503 50.801 0.00 0.00 WAT1 ATOM 3655 OH2 TIP3 559 10.848 -33.046 51.158 0.00 0.00 WAT1 ATOM 3656 H1 TIP3 559 11.068 -32.574 50.355 0.00 0.00 WAT1 ATOM 3657 H2 TIP3 559 11.406 -32.651 51.829 0.00 0.00 WAT1 ATOM 3658 OH2 TIP3 560 8.048 -31.318 51.993 0.00 0.00 WAT1 ATOM 3659 H1 TIP3 560 8.860 -30.814 52.039 0.00 0.00 WAT1 ATOM 3660 H2 TIP3 560 7.803 -31.463 52.907 0.00 0.00 WAT1 ATOM 3661 OH2 TIP3 561 9.791 -23.546 46.781 0.00 0.00 WAT1 ATOM 3662 H1 TIP3 561 9.523 -23.366 47.682 0.00 0.00 WAT1 ATOM 3663 H2 TIP3 561 9.585 -24.472 46.650 0.00 0.00 WAT1 ATOM 3664 OH2 TIP3 562 6.659 -28.378 47.614 0.00 0.00 WAT1 ATOM 3665 H1 TIP3 562 6.479 -28.532 46.686 0.00 0.00 WAT1 ATOM 3666 H2 TIP3 562 7.610 -28.270 47.658 0.00 0.00 WAT1 ATOM 3667 OH2 TIP3 563 16.049 -26.023 47.059 0.00 0.00 WAT1 ATOM 3668 H1 TIP3 563 15.776 -26.448 46.246 0.00 0.00 WAT1 ATOM 3669 H2 TIP3 563 16.089 -25.092 46.842 0.00 0.00 WAT1 ATOM 3670 OH2 TIP3 564 16.508 -25.154 51.034 0.00 0.00 WAT1 ATOM 3671 H1 TIP3 564 17.358 -24.733 51.162 0.00 0.00 WAT1 ATOM 3672 H2 TIP3 564 16.513 -25.894 51.642 0.00 0.00 WAT1 ATOM 3673 OH2 TIP3 565 16.902 -27.101 52.858 0.00 0.00 WAT1 ATOM 3674 H1 TIP3 565 16.176 -27.580 53.256 0.00 0.00 WAT1 ATOM 3675 H2 TIP3 565 17.483 -26.895 53.590 0.00 0.00 WAT1 ATOM 3676 OH2 TIP3 566 17.170 -27.200 49.249 0.00 0.00 WAT1 ATOM 3677 H1 TIP3 566 16.649 -26.843 48.530 0.00 0.00 WAT1 ATOM 3678 H2 TIP3 566 17.137 -26.525 49.927 0.00 0.00 WAT1 ATOM 3679 OH2 TIP3 567 14.399 -30.997 51.883 0.00 0.00 WAT1 ATOM 3680 H1 TIP3 567 14.679 -31.904 52.008 0.00 0.00 WAT1 ATOM 3681 H2 TIP3 567 15.158 -30.563 51.494 0.00 0.00 WAT1 ATOM 3682 OH2 TIP3 568 15.013 -33.734 51.932 0.00 0.00 WAT1 ATOM 3683 H1 TIP3 568 15.195 -34.183 52.757 0.00 0.00 WAT1 ATOM 3684 H2 TIP3 568 14.413 -34.319 51.468 0.00 0.00 WAT1 ATOM 3685 OH2 TIP3 569 16.879 -33.667 48.460 0.00 0.00 WAT1 ATOM 3686 H1 TIP3 569 17.292 -34.388 47.984 0.00 0.00 WAT1 ATOM 3687 H2 TIP3 569 17.561 -32.997 48.518 0.00 0.00 WAT1 ATOM 3688 OH2 TIP3 570 13.090 -35.434 50.917 0.00 0.00 WAT1 ATOM 3689 H1 TIP3 570 12.387 -34.820 50.707 0.00 0.00 WAT1 ATOM 3690 H2 TIP3 570 12.645 -36.272 51.048 0.00 0.00 WAT1 ATOM 3691 OH2 TIP3 571 2.298 -33.703 48.008 0.00 0.00 WAT1 ATOM 3692 H1 TIP3 571 2.789 -34.333 47.480 0.00 0.00 WAT1 ATOM 3693 H2 TIP3 571 2.921 -33.407 48.671 0.00 0.00 WAT1 ATOM 3694 OH2 TIP3 572 7.324 -33.410 50.465 0.00 0.00 WAT1 ATOM 3695 H1 TIP3 572 7.502 -34.056 51.148 0.00 0.00 WAT1 ATOM 3696 H2 TIP3 572 7.270 -32.576 50.932 0.00 0.00 WAT1 ATOM 3697 OH2 TIP3 573 9.612 -8.150 0.571 0.00 0.00 WAT1 ATOM 3698 H1 TIP3 573 9.574 -8.796 1.276 0.00 0.00 WAT1 ATOM 3699 H2 TIP3 573 9.289 -8.616 -0.200 0.00 0.00 WAT1 ATOM 3700 OH2 TIP3 574 13.318 -5.211 -1.127 0.00 0.00 WAT1 ATOM 3701 H1 TIP3 574 12.877 -5.931 -0.677 0.00 0.00 WAT1 ATOM 3702 H2 TIP3 574 13.305 -4.490 -0.497 0.00 0.00 WAT1 ATOM 3703 OH2 TIP3 575 8.001 -5.717 0.977 0.00 0.00 WAT1 ATOM 3704 H1 TIP3 575 8.305 -6.403 0.383 0.00 0.00 WAT1 ATOM 3705 H2 TIP3 575 8.723 -5.599 1.595 0.00 0.00 WAT1 ATOM 3706 OH2 TIP3 576 16.664 -14.116 1.838 0.00 0.00 WAT1 ATOM 3707 H1 TIP3 576 16.713 -13.506 2.574 0.00 0.00 WAT1 ATOM 3708 H2 TIP3 576 17.090 -13.655 1.115 0.00 0.00 WAT1 ATOM 3709 OH2 TIP3 577 11.142 -11.323 1.305 0.00 0.00 WAT1 ATOM 3710 H1 TIP3 577 11.285 -12.270 1.325 0.00 0.00 WAT1 ATOM 3711 H2 TIP3 577 11.036 -11.116 0.376 0.00 0.00 WAT1 ATOM 3712 OH2 TIP3 578 5.676 -6.628 2.939 0.00 0.00 WAT1 ATOM 3713 H1 TIP3 578 4.936 -6.030 3.042 0.00 0.00 WAT1 ATOM 3714 H2 TIP3 578 6.390 -6.074 2.623 0.00 0.00 WAT1 ATOM 3715 OH2 TIP3 579 13.783 -13.800 -1.041 0.00 0.00 WAT1 ATOM 3716 H1 TIP3 579 13.568 -14.566 -0.509 0.00 0.00 WAT1 ATOM 3717 H2 TIP3 579 14.439 -13.328 -0.528 0.00 0.00 WAT1 ATOM 3718 OH2 TIP3 580 7.133 -16.998 0.104 0.00 0.00 WAT1 ATOM 3719 H1 TIP3 580 7.016 -17.947 0.050 0.00 0.00 WAT1 ATOM 3720 H2 TIP3 580 6.278 -16.666 0.377 0.00 0.00 WAT1 ATOM 3721 OH2 TIP3 581 14.927 -5.123 4.832 0.00 0.00 WAT1 ATOM 3722 H1 TIP3 581 15.067 -5.714 4.093 0.00 0.00 WAT1 ATOM 3723 H2 TIP3 581 15.095 -4.250 4.476 0.00 0.00 WAT1 ATOM 3724 OH2 TIP3 582 4.818 -8.552 1.072 0.00 0.00 WAT1 ATOM 3725 H1 TIP3 582 5.383 -8.431 0.309 0.00 0.00 WAT1 ATOM 3726 H2 TIP3 582 5.137 -7.915 1.711 0.00 0.00 WAT1 ATOM 3727 OH2 TIP3 583 5.698 -4.153 5.789 0.00 0.00 WAT1 ATOM 3728 H1 TIP3 583 5.386 -3.371 6.245 0.00 0.00 WAT1 ATOM 3729 H2 TIP3 583 5.048 -4.306 5.103 0.00 0.00 WAT1 ATOM 3730 OH2 TIP3 584 2.618 -7.955 5.018 0.00 0.00 WAT1 ATOM 3731 H1 TIP3 584 2.688 -7.304 5.716 0.00 0.00 WAT1 ATOM 3732 H2 TIP3 584 1.727 -7.852 4.683 0.00 0.00 WAT1 ATOM 3733 OH2 TIP3 585 4.402 -16.095 0.882 0.00 0.00 WAT1 ATOM 3734 H1 TIP3 585 3.541 -16.182 0.474 0.00 0.00 WAT1 ATOM 3735 H2 TIP3 585 4.380 -15.239 1.309 0.00 0.00 WAT1 ATOM 3736 OH2 TIP3 586 4.493 -11.129 1.977 0.00 0.00 WAT1 ATOM 3737 H1 TIP3 586 3.851 -11.170 2.686 0.00 0.00 WAT1 ATOM 3738 H2 TIP3 586 4.530 -10.203 1.739 0.00 0.00 WAT1 ATOM 3739 OH2 TIP3 587 11.030 -11.046 -1.480 0.00 0.00 WAT1 ATOM 3740 H1 TIP3 587 10.835 -10.441 -2.195 0.00 0.00 WAT1 ATOM 3741 H2 TIP3 587 11.212 -11.880 -1.915 0.00 0.00 WAT1 ATOM 3742 OH2 TIP3 588 11.477 -14.246 1.239 0.00 0.00 WAT1 ATOM 3743 H1 TIP3 588 10.800 -14.115 1.903 0.00 0.00 WAT1 ATOM 3744 H2 TIP3 588 10.991 -14.401 0.429 0.00 0.00 WAT1 ATOM 3745 OH2 TIP3 589 14.764 1.426 7.516 0.00 0.00 WAT1 ATOM 3746 H1 TIP3 589 14.964 1.850 6.681 0.00 0.00 WAT1 ATOM 3747 H2 TIP3 589 15.420 1.769 8.123 0.00 0.00 WAT1 ATOM 3748 OH2 TIP3 590 8.392 -10.693 -0.138 0.00 0.00 WAT1 ATOM 3749 H1 TIP3 590 8.956 -11.240 -0.685 0.00 0.00 WAT1 ATOM 3750 H2 TIP3 590 8.244 -11.215 0.651 0.00 0.00 WAT1 ATOM 3751 OH2 TIP3 591 7.018 -12.305 2.276 0.00 0.00 WAT1 ATOM 3752 H1 TIP3 591 6.183 -11.851 2.386 0.00 0.00 WAT1 ATOM 3753 H2 TIP3 591 7.542 -12.029 3.028 0.00 0.00 WAT1 ATOM 3754 OH2 TIP3 592 14.712 -6.959 2.747 0.00 0.00 WAT1 ATOM 3755 H1 TIP3 592 15.354 -6.502 2.204 0.00 0.00 WAT1 ATOM 3756 H2 TIP3 592 13.882 -6.846 2.285 0.00 0.00 WAT1 ATOM 3757 OH2 TIP3 593 9.082 -5.908 5.198 0.00 0.00 WAT1 ATOM 3758 H1 TIP3 593 8.736 -6.289 6.004 0.00 0.00 WAT1 ATOM 3759 H2 TIP3 593 8.882 -4.974 5.269 0.00 0.00 WAT1 ATOM 3760 OH2 TIP3 594 11.332 -3.446 5.148 0.00 0.00 WAT1 ATOM 3761 H1 TIP3 594 10.431 -3.263 4.880 0.00 0.00 WAT1 ATOM 3762 H2 TIP3 594 11.366 -3.187 6.069 0.00 0.00 WAT1 ATOM 3763 OH2 TIP3 595 12.519 -7.607 1.002 0.00 0.00 WAT1 ATOM 3764 H1 TIP3 595 11.591 -7.839 0.975 0.00 0.00 WAT1 ATOM 3765 H2 TIP3 595 12.970 -8.384 0.672 0.00 0.00 WAT1 ATOM 3766 OH2 TIP3 596 10.548 -5.368 2.727 0.00 0.00 WAT1 ATOM 3767 H1 TIP3 596 10.122 -5.595 3.553 0.00 0.00 WAT1 ATOM 3768 H2 TIP3 596 11.129 -6.106 2.544 0.00 0.00 WAT1 ATOM 3769 OH2 TIP3 597 13.207 -0.816 5.196 0.00 0.00 WAT1 ATOM 3770 H1 TIP3 597 12.605 -1.371 4.701 0.00 0.00 WAT1 ATOM 3771 H2 TIP3 597 13.488 -0.149 4.570 0.00 0.00 WAT1 ATOM 3772 OH2 TIP3 598 13.390 -9.818 -0.459 0.00 0.00 WAT1 ATOM 3773 H1 TIP3 598 12.593 -10.233 -0.788 0.00 0.00 WAT1 ATOM 3774 H2 TIP3 598 13.835 -10.509 0.032 0.00 0.00 WAT1 ATOM 3775 OH2 TIP3 599 11.365 -2.592 7.740 0.00 0.00 WAT1 ATOM 3776 H1 TIP3 599 11.014 -3.448 7.983 0.00 0.00 WAT1 ATOM 3777 H2 TIP3 599 12.091 -2.449 8.347 0.00 0.00 WAT1 ATOM 3778 OH2 TIP3 600 6.753 -6.111 7.778 0.00 0.00 WAT1 ATOM 3779 H1 TIP3 600 6.425 -5.840 6.920 0.00 0.00 WAT1 ATOM 3780 H2 TIP3 600 6.905 -7.052 7.690 0.00 0.00 WAT1 ATOM 3781 OH2 TIP3 601 12.488 -6.195 5.161 0.00 0.00 WAT1 ATOM 3782 H1 TIP3 601 13.233 -5.607 5.041 0.00 0.00 WAT1 ATOM 3783 H2 TIP3 601 11.731 -5.613 5.224 0.00 0.00 WAT1 ATOM 3784 OH2 TIP3 602 4.877 -9.872 5.139 0.00 0.00 WAT1 ATOM 3785 H1 TIP3 602 4.259 -9.197 5.420 0.00 0.00 WAT1 ATOM 3786 H2 TIP3 602 5.221 -9.551 4.306 0.00 0.00 WAT1 ATOM 3787 OH2 TIP3 603 5.217 -12.517 6.222 0.00 0.00 WAT1 ATOM 3788 H1 TIP3 603 5.367 -13.246 5.619 0.00 0.00 WAT1 ATOM 3789 H2 TIP3 603 5.219 -11.740 5.663 0.00 0.00 WAT1 ATOM 3790 OH2 TIP3 604 5.629 -14.147 3.714 0.00 0.00 WAT1 ATOM 3791 H1 TIP3 604 6.165 -13.696 3.062 0.00 0.00 WAT1 ATOM 3792 H2 TIP3 604 4.777 -14.255 3.292 0.00 0.00 WAT1 ATOM 3793 OH2 TIP3 605 7.211 -8.708 3.954 0.00 0.00 WAT1 ATOM 3794 H1 TIP3 605 7.962 -8.864 3.381 0.00 0.00 WAT1 ATOM 3795 H2 TIP3 605 6.872 -7.856 3.678 0.00 0.00 WAT1 ATOM 3796 OH2 TIP3 606 3.695 -11.319 8.133 0.00 0.00 WAT1 ATOM 3797 H1 TIP3 606 2.928 -11.851 7.923 0.00 0.00 WAT1 ATOM 3798 H2 TIP3 606 4.374 -11.629 7.534 0.00 0.00 WAT1 ATOM 3799 OH2 TIP3 607 6.435 -16.691 4.146 0.00 0.00 WAT1 ATOM 3800 H1 TIP3 607 6.337 -15.744 4.040 0.00 0.00 WAT1 ATOM 3801 H2 TIP3 607 5.692 -17.063 3.670 0.00 0.00 WAT1 ATOM 3802 OH2 TIP3 608 1.876 -13.398 7.838 0.00 0.00 WAT1 ATOM 3803 H1 TIP3 608 2.087 -14.105 7.227 0.00 0.00 WAT1 ATOM 3804 H2 TIP3 608 1.764 -13.836 8.682 0.00 0.00 WAT1 ATOM 3805 OH2 TIP3 609 17.193 0.088 1.392 0.00 0.00 WAT1 ATOM 3806 H1 TIP3 609 17.171 0.273 2.331 0.00 0.00 WAT1 ATOM 3807 H2 TIP3 609 17.883 0.657 1.051 0.00 0.00 WAT1 ATOM 3808 OH2 TIP3 610 16.756 -0.345 4.314 0.00 0.00 WAT1 ATOM 3809 H1 TIP3 610 16.269 -1.080 3.943 0.00 0.00 WAT1 ATOM 3810 H2 TIP3 610 17.305 -0.738 4.992 0.00 0.00 WAT1 ATOM 3811 OH2 TIP3 611 16.661 -5.460 1.238 0.00 0.00 WAT1 ATOM 3812 H1 TIP3 611 17.495 -5.838 0.957 0.00 0.00 WAT1 ATOM 3813 H2 TIP3 611 16.773 -4.517 1.119 0.00 0.00 WAT1 ATOM 3814 OH2 TIP3 612 15.148 -2.582 3.545 0.00 0.00 WAT1 ATOM 3815 H1 TIP3 612 14.500 -2.257 4.170 0.00 0.00 WAT1 ATOM 3816 H2 TIP3 612 14.630 -3.022 2.870 0.00 0.00 WAT1 ATOM 3817 OH2 TIP3 613 14.689 -9.724 -3.147 0.00 0.00 WAT1 ATOM 3818 H1 TIP3 613 14.539 -10.669 -3.167 0.00 0.00 WAT1 ATOM 3819 H2 TIP3 613 14.335 -9.443 -2.303 0.00 0.00 WAT1 ATOM 3820 OH2 TIP3 614 10.926 0.766 5.969 0.00 0.00 WAT1 ATOM 3821 H1 TIP3 614 11.603 0.134 5.729 0.00 0.00 WAT1 ATOM 3822 H2 TIP3 614 11.248 1.168 6.777 0.00 0.00 WAT1 ATOM 3823 OH2 TIP3 615 9.274 -15.195 -0.628 0.00 0.00 WAT1 ATOM 3824 H1 TIP3 615 8.599 -15.824 -0.373 0.00 0.00 WAT1 ATOM 3825 H2 TIP3 615 9.838 -15.679 -1.231 0.00 0.00 WAT1 ATOM 3826 OH2 TIP3 616 14.416 -17.088 -0.516 0.00 0.00 WAT1 ATOM 3827 H1 TIP3 616 15.020 -16.540 -1.017 0.00 0.00 WAT1 ATOM 3828 H2 TIP3 616 13.547 -16.768 -0.756 0.00 0.00 WAT1 ATOM 3829 OH2 TIP3 617 16.143 -15.949 -2.182 0.00 0.00 WAT1 ATOM 3830 H1 TIP3 617 16.755 -16.463 -2.709 0.00 0.00 WAT1 ATOM 3831 H2 TIP3 617 16.526 -15.071 -2.159 0.00 0.00 WAT1 ATOM 3832 OH2 TIP3 618 11.737 -16.604 -1.344 0.00 0.00 WAT1 ATOM 3833 H1 TIP3 618 11.813 -16.509 -2.293 0.00 0.00 WAT1 ATOM 3834 H2 TIP3 618 11.461 -17.512 -1.215 0.00 0.00 WAT1 ATOM 3835 OH2 TIP3 619 1.558 -16.047 6.711 0.00 0.00 WAT1 ATOM 3836 H1 TIP3 619 1.192 -16.812 7.154 0.00 0.00 WAT1 ATOM 3837 H2 TIP3 619 2.471 -16.018 6.998 0.00 0.00 WAT1 ATOM 3838 OH2 TIP3 620 3.531 -16.696 8.247 0.00 0.00 WAT1 ATOM 3839 H1 TIP3 620 4.430 -16.970 8.062 0.00 0.00 WAT1 ATOM 3840 H2 TIP3 620 3.145 -17.439 8.711 0.00 0.00 WAT1 ATOM 3841 OH2 TIP3 621 10.679 -7.405 16.008 0.00 0.00 WAT1 ATOM 3842 H1 TIP3 621 10.768 -6.461 15.876 0.00 0.00 WAT1 ATOM 3843 H2 TIP3 621 10.040 -7.680 15.350 0.00 0.00 WAT1 ATOM 3844 OH2 TIP3 622 9.612 -8.150 19.427 0.00 0.00 WAT1 ATOM 3845 H1 TIP3 622 9.574 -8.796 20.132 0.00 0.00 WAT1 ATOM 3846 H2 TIP3 622 9.289 -8.616 18.656 0.00 0.00 WAT1 ATOM 3847 OH2 TIP3 623 1.980 -8.535 21.020 0.00 0.00 WAT1 ATOM 3848 H1 TIP3 623 2.022 -9.161 21.744 0.00 0.00 WAT1 ATOM 3849 H2 TIP3 623 2.683 -7.912 21.202 0.00 0.00 WAT1 ATOM 3850 OH2 TIP3 624 13.318 -5.211 17.729 0.00 0.00 WAT1 ATOM 3851 H1 TIP3 624 12.877 -5.931 18.179 0.00 0.00 WAT1 ATOM 3852 H2 TIP3 624 13.305 -4.490 18.359 0.00 0.00 WAT1 ATOM 3853 OH2 TIP3 625 11.142 -11.323 20.161 0.00 0.00 WAT1 ATOM 3854 H1 TIP3 625 11.285 -12.270 20.181 0.00 0.00 WAT1 ATOM 3855 H2 TIP3 625 11.036 -11.116 19.232 0.00 0.00 WAT1 ATOM 3856 OH2 TIP3 626 4.297 -13.222 17.433 0.00 0.00 WAT1 ATOM 3857 H1 TIP3 626 4.340 -12.362 17.015 0.00 0.00 WAT1 ATOM 3858 H2 TIP3 626 3.839 -13.774 16.800 0.00 0.00 WAT1 ATOM 3859 OH2 TIP3 627 12.019 -13.091 15.834 0.00 0.00 WAT1 ATOM 3860 H1 TIP3 627 12.665 -13.420 16.459 0.00 0.00 WAT1 ATOM 3861 H2 TIP3 627 12.529 -12.573 15.211 0.00 0.00 WAT1 ATOM 3862 OH2 TIP3 628 0.917 -10.825 18.195 0.00 0.00 WAT1 ATOM 3863 H1 TIP3 628 1.571 -11.375 18.627 0.00 0.00 WAT1 ATOM 3864 H2 TIP3 628 0.941 -11.099 17.279 0.00 0.00 WAT1 ATOM 3865 OH2 TIP3 629 6.073 -9.275 17.411 0.00 0.00 WAT1 ATOM 3866 H1 TIP3 629 6.689 -9.801 17.920 0.00 0.00 WAT1 ATOM 3867 H2 TIP3 629 5.487 -9.915 17.007 0.00 0.00 WAT1 ATOM 3868 OH2 TIP3 630 10.476 -4.804 15.051 0.00 0.00 WAT1 ATOM 3869 H1 TIP3 630 10.180 -5.126 14.200 0.00 0.00 WAT1 ATOM 3870 H2 TIP3 630 10.152 -3.904 15.093 0.00 0.00 WAT1 ATOM 3871 OH2 TIP3 631 13.783 -13.800 17.815 0.00 0.00 WAT1 ATOM 3872 H1 TIP3 631 13.568 -14.566 18.347 0.00 0.00 WAT1 ATOM 3873 H2 TIP3 631 14.439 -13.328 18.328 0.00 0.00 WAT1 ATOM 3874 OH2 TIP3 632 2.701 -12.412 19.460 0.00 0.00 WAT1 ATOM 3875 H1 TIP3 632 3.314 -11.779 19.833 0.00 0.00 WAT1 ATOM 3876 H2 TIP3 632 3.213 -12.884 18.803 0.00 0.00 WAT1 ATOM 3877 OH2 TIP3 633 12.082 -1.590 16.702 0.00 0.00 WAT1 ATOM 3878 H1 TIP3 633 12.507 -2.297 16.217 0.00 0.00 WAT1 ATOM 3879 H2 TIP3 633 12.399 -0.789 16.285 0.00 0.00 WAT1 ATOM 3880 OH2 TIP3 634 13.241 -3.689 15.211 0.00 0.00 WAT1 ATOM 3881 H1 TIP3 634 12.984 -4.379 14.599 0.00 0.00 WAT1 ATOM 3882 H2 TIP3 634 13.312 -4.132 16.056 0.00 0.00 WAT1 ATOM 3883 OH2 TIP3 635 14.927 -5.123 23.688 0.00 0.00 WAT1 ATOM 3884 H1 TIP3 635 15.067 -5.714 22.949 0.00 0.00 WAT1 ATOM 3885 H2 TIP3 635 15.095 -4.250 23.332 0.00 0.00 WAT1 ATOM 3886 OH2 TIP3 636 16.769 -8.783 21.754 0.00 0.00 WAT1 ATOM 3887 H1 TIP3 636 16.117 -8.088 21.843 0.00 0.00 WAT1 ATOM 3888 H2 TIP3 636 17.234 -8.573 20.944 0.00 0.00 WAT1 ATOM 3889 OH2 TIP3 637 12.703 -9.777 23.480 0.00 0.00 WAT1 ATOM 3890 H1 TIP3 637 12.783 -9.014 24.052 0.00 0.00 WAT1 ATOM 3891 H2 TIP3 637 12.102 -9.498 22.789 0.00 0.00 WAT1 ATOM 3892 OH2 TIP3 638 4.818 -8.552 19.928 0.00 0.00 WAT1 ATOM 3893 H1 TIP3 638 5.383 -8.431 19.165 0.00 0.00 WAT1 ATOM 3894 H2 TIP3 638 5.137 -7.915 20.567 0.00 0.00 WAT1 ATOM 3895 OH2 TIP3 639 2.618 -7.955 23.874 0.00 0.00 WAT1 ATOM 3896 H1 TIP3 639 2.688 -7.304 24.572 0.00 0.00 WAT1 ATOM 3897 H2 TIP3 639 1.727 -7.852 23.539 0.00 0.00 WAT1 ATOM 3898 OH2 TIP3 640 3.441 -8.251 13.884 0.00 0.00 WAT1 ATOM 3899 H1 TIP3 640 3.149 -7.483 13.393 0.00 0.00 WAT1 ATOM 3900 H2 TIP3 640 2.767 -8.911 13.721 0.00 0.00 WAT1 ATOM 3901 OH2 TIP3 641 17.482 -2.442 25.265 0.00 0.00 WAT1 ATOM 3902 H1 TIP3 641 17.433 -3.397 25.228 0.00 0.00 WAT1 ATOM 3903 H2 TIP3 641 16.656 -2.174 25.667 0.00 0.00 WAT1 ATOM 3904 OH2 TIP3 642 11.977 0.058 10.950 0.00 0.00 WAT1 ATOM 3905 H1 TIP3 642 12.352 -0.686 10.479 0.00 0.00 WAT1 ATOM 3906 H2 TIP3 642 11.981 -0.212 11.868 0.00 0.00 WAT1 ATOM 3907 OH2 TIP3 643 11.646 -0.016 13.699 0.00 0.00 WAT1 ATOM 3908 H1 TIP3 643 10.711 0.084 13.878 0.00 0.00 WAT1 ATOM 3909 H2 TIP3 643 11.926 -0.725 14.277 0.00 0.00 WAT1 ATOM 3910 OH2 TIP3 644 4.493 -11.129 20.833 0.00 0.00 WAT1 ATOM 3911 H1 TIP3 644 3.851 -11.170 21.542 0.00 0.00 WAT1 ATOM 3912 H2 TIP3 644 4.530 -10.203 20.595 0.00 0.00 WAT1 ATOM 3913 OH2 TIP3 645 4.490 -10.908 15.745 0.00 0.00 WAT1 ATOM 3914 H1 TIP3 645 3.597 -11.249 15.686 0.00 0.00 WAT1 ATOM 3915 H2 TIP3 645 4.941 -11.285 14.989 0.00 0.00 WAT1 ATOM 3916 OH2 TIP3 646 9.128 -10.317 26.050 0.00 0.00 WAT1 ATOM 3917 H1 TIP3 646 8.565 -11.021 26.370 0.00 0.00 WAT1 ATOM 3918 H2 TIP3 646 9.954 -10.437 26.517 0.00 0.00 WAT1 ATOM 3919 OH2 TIP3 647 11.030 -11.046 17.376 0.00 0.00 WAT1 ATOM 3920 H1 TIP3 647 10.835 -10.441 16.661 0.00 0.00 WAT1 ATOM 3921 H2 TIP3 647 11.212 -11.880 16.941 0.00 0.00 WAT1 ATOM 3922 OH2 TIP3 648 2.243 -10.809 22.700 0.00 0.00 WAT1 ATOM 3923 H1 TIP3 648 2.205 -10.409 23.568 0.00 0.00 WAT1 ATOM 3924 H2 TIP3 648 1.752 -11.626 22.790 0.00 0.00 WAT1 ATOM 3925 OH2 TIP3 649 5.609 -13.435 9.498 0.00 0.00 WAT1 ATOM 3926 H1 TIP3 649 5.178 -13.880 10.228 0.00 0.00 WAT1 ATOM 3927 H2 TIP3 649 4.891 -13.063 8.986 0.00 0.00 WAT1 ATOM 3928 OH2 TIP3 650 10.294 -9.408 22.047 0.00 0.00 WAT1 ATOM 3929 H1 TIP3 650 10.618 -10.039 21.404 0.00 0.00 WAT1 ATOM 3930 H2 TIP3 650 9.854 -9.943 22.708 0.00 0.00 WAT1 ATOM 3931 OH2 TIP3 651 7.072 -13.481 16.831 0.00 0.00 WAT1 ATOM 3932 H1 TIP3 651 6.161 -13.424 17.120 0.00 0.00 WAT1 ATOM 3933 H2 TIP3 651 7.577 -13.541 17.642 0.00 0.00 WAT1 ATOM 3934 OH2 TIP3 652 5.553 -11.852 13.314 0.00 0.00 WAT1 ATOM 3935 H1 TIP3 652 6.485 -11.723 13.492 0.00 0.00 WAT1 ATOM 3936 H2 TIP3 652 5.338 -11.182 12.665 0.00 0.00 WAT1 ATOM 3937 OH2 TIP3 653 4.227 -10.657 10.881 0.00 0.00 WAT1 ATOM 3938 H1 TIP3 653 3.685 -11.037 10.190 0.00 0.00 WAT1 ATOM 3939 H2 TIP3 653 5.061 -10.463 10.452 0.00 0.00 WAT1 ATOM 3940 OH2 TIP3 654 8.392 -10.693 18.718 0.00 0.00 WAT1 ATOM 3941 H1 TIP3 654 8.956 -11.240 18.171 0.00 0.00 WAT1 ATOM 3942 H2 TIP3 654 8.244 -11.215 19.507 0.00 0.00 WAT1 ATOM 3943 OH2 TIP3 655 3.394 -14.557 15.136 0.00 0.00 WAT1 ATOM 3944 H1 TIP3 655 3.077 -15.459 15.101 0.00 0.00 WAT1 ATOM 3945 H2 TIP3 655 4.175 -14.555 14.584 0.00 0.00 WAT1 ATOM 3946 OH2 TIP3 656 7.562 -6.092 12.817 0.00 0.00 WAT1 ATOM 3947 H1 TIP3 656 6.818 -6.599 12.494 0.00 0.00 WAT1 ATOM 3948 H2 TIP3 656 7.428 -6.043 13.763 0.00 0.00 WAT1 ATOM 3949 OH2 TIP3 657 14.712 -6.959 21.603 0.00 0.00 WAT1 ATOM 3950 H1 TIP3 657 15.354 -6.502 21.060 0.00 0.00 WAT1 ATOM 3951 H2 TIP3 657 13.882 -6.846 21.141 0.00 0.00 WAT1 ATOM 3952 OH2 TIP3 658 9.688 -4.633 11.842 0.00 0.00 WAT1 ATOM 3953 H1 TIP3 658 9.393 -3.807 12.224 0.00 0.00 WAT1 ATOM 3954 H2 TIP3 658 8.985 -5.253 12.038 0.00 0.00 WAT1 ATOM 3955 OH2 TIP3 659 -0.305 -8.336 23.901 0.00 0.00 WAT1 ATOM 3956 H1 TIP3 659 -0.082 -8.754 24.733 0.00 0.00 WAT1 ATOM 3957 H2 TIP3 659 -0.907 -8.949 23.479 0.00 0.00 WAT1 ATOM 3958 OH2 TIP3 660 6.712 -8.819 26.114 0.00 0.00 WAT1 ATOM 3959 H1 TIP3 660 6.416 -8.985 25.219 0.00 0.00 WAT1 ATOM 3960 H2 TIP3 660 7.643 -9.039 26.104 0.00 0.00 WAT1 ATOM 3961 OH2 TIP3 661 17.027 -5.401 25.208 0.00 0.00 WAT1 ATOM 3962 H1 TIP3 661 16.175 -5.163 24.841 0.00 0.00 WAT1 ATOM 3963 H2 TIP3 661 17.617 -5.418 24.455 0.00 0.00 WAT1 ATOM 3964 OH2 TIP3 662 6.489 -5.616 15.567 0.00 0.00 WAT1 ATOM 3965 H1 TIP3 662 6.248 -4.691 15.609 0.00 0.00 WAT1 ATOM 3966 H2 TIP3 662 5.749 -6.075 15.963 0.00 0.00 WAT1 ATOM 3967 OH2 TIP3 663 12.751 -4.439 10.657 0.00 0.00 WAT1 ATOM 3968 H1 TIP3 663 13.104 -4.819 11.461 0.00 0.00 WAT1 ATOM 3969 H2 TIP3 663 11.802 -4.532 10.743 0.00 0.00 WAT1 ATOM 3970 OH2 TIP3 664 13.617 -5.766 12.883 0.00 0.00 WAT1 ATOM 3971 H1 TIP3 664 13.340 -6.494 13.439 0.00 0.00 WAT1 ATOM 3972 H2 TIP3 664 14.544 -5.647 13.089 0.00 0.00 WAT1 ATOM 3973 OH2 TIP3 665 6.842 -3.327 9.104 0.00 0.00 WAT1 ATOM 3974 H1 TIP3 665 7.081 -4.075 8.556 0.00 0.00 WAT1 ATOM 3975 H2 TIP3 665 6.573 -3.715 9.936 0.00 0.00 WAT1 ATOM 3976 OH2 TIP3 666 5.779 -3.757 11.560 0.00 0.00 WAT1 ATOM 3977 H1 TIP3 666 5.926 -4.277 12.350 0.00 0.00 WAT1 ATOM 3978 H2 TIP3 666 5.776 -2.850 11.866 0.00 0.00 WAT1 ATOM 3979 OH2 TIP3 667 8.517 -2.059 12.309 0.00 0.00 WAT1 ATOM 3980 H1 TIP3 667 7.700 -1.562 12.362 0.00 0.00 WAT1 ATOM 3981 H2 TIP3 667 9.046 -1.584 11.669 0.00 0.00 WAT1 ATOM 3982 OH2 TIP3 668 8.048 -12.462 14.281 0.00 0.00 WAT1 ATOM 3983 H1 TIP3 668 8.860 -11.958 14.327 0.00 0.00 WAT1 ATOM 3984 H2 TIP3 668 7.803 -12.607 15.195 0.00 0.00 WAT1 ATOM 3985 OH2 TIP3 669 8.584 -11.476 23.466 0.00 0.00 WAT1 ATOM 3986 H1 TIP3 669 8.703 -10.902 24.223 0.00 0.00 WAT1 ATOM 3987 H2 TIP3 669 9.239 -12.164 23.581 0.00 0.00 WAT1 ATOM 3988 OH2 TIP3 670 8.932 -15.381 15.219 0.00 0.00 WAT1 ATOM 3989 H1 TIP3 670 8.585 -14.763 15.864 0.00 0.00 WAT1 ATOM 3990 H2 TIP3 670 9.590 -14.880 14.738 0.00 0.00 WAT1 ATOM 3991 OH2 TIP3 671 4.589 -14.318 11.907 0.00 0.00 WAT1 ATOM 3992 H1 TIP3 671 4.506 -13.429 12.253 0.00 0.00 WAT1 ATOM 3993 H2 TIP3 671 5.479 -14.583 12.138 0.00 0.00 WAT1 ATOM 3994 OH2 TIP3 672 13.390 -9.818 18.397 0.00 0.00 WAT1 ATOM 3995 H1 TIP3 672 12.593 -10.233 18.068 0.00 0.00 WAT1 ATOM 3996 H2 TIP3 672 13.835 -10.509 18.888 0.00 0.00 WAT1 ATOM 3997 OH2 TIP3 673 1.972 -16.444 18.756 0.00 0.00 WAT1 ATOM 3998 H1 TIP3 673 1.743 -16.385 17.829 0.00 0.00 WAT1 ATOM 3999 H2 TIP3 673 1.529 -17.236 19.063 0.00 0.00 WAT1 ATOM 4000 OH2 TIP3 674 8.880 -1.464 9.242 0.00 0.00 WAT1 ATOM 4001 H1 TIP3 674 8.236 -2.095 9.564 0.00 0.00 WAT1 ATOM 4002 H2 TIP3 674 9.642 -1.995 9.010 0.00 0.00 WAT1 ATOM 4003 OH2 TIP3 675 4.439 -5.737 9.333 0.00 0.00 WAT1 ATOM 4004 H1 TIP3 675 4.503 -6.531 9.864 0.00 0.00 WAT1 ATOM 4005 H2 TIP3 675 5.092 -5.856 8.644 0.00 0.00 WAT1 ATOM 4006 OH2 TIP3 676 9.791 -4.690 9.069 0.00 0.00 WAT1 ATOM 4007 H1 TIP3 676 9.523 -4.510 9.970 0.00 0.00 WAT1 ATOM 4008 H2 TIP3 676 9.585 -5.616 8.938 0.00 0.00 WAT1 ATOM 4009 OH2 TIP3 677 12.488 -6.195 24.017 0.00 0.00 WAT1 ATOM 4010 H1 TIP3 677 13.233 -5.607 23.897 0.00 0.00 WAT1 ATOM 4011 H2 TIP3 677 11.731 -5.613 24.080 0.00 0.00 WAT1 ATOM 4012 OH2 TIP3 678 0.930 -8.881 26.621 0.00 0.00 WAT1 ATOM 4013 H1 TIP3 678 1.338 -9.738 26.500 0.00 0.00 WAT1 ATOM 4014 H2 TIP3 678 0.670 -8.866 27.542 0.00 0.00 WAT1 ATOM 4015 OH2 TIP3 679 5.588 -7.765 11.639 0.00 0.00 WAT1 ATOM 4016 H1 TIP3 679 5.129 -8.249 12.325 0.00 0.00 WAT1 ATOM 4017 H2 TIP3 679 5.843 -8.433 11.003 0.00 0.00 WAT1 ATOM 4018 OH2 TIP3 680 4.877 -9.872 23.995 0.00 0.00 WAT1 ATOM 4019 H1 TIP3 680 4.259 -9.197 24.276 0.00 0.00 WAT1 ATOM 4020 H2 TIP3 680 5.221 -9.551 23.162 0.00 0.00 WAT1 ATOM 4021 OH2 TIP3 681 9.897 -7.401 27.273 0.00 0.00 WAT1 ATOM 4022 H1 TIP3 681 10.850 -7.317 27.245 0.00 0.00 WAT1 ATOM 4023 H2 TIP3 681 9.737 -8.112 27.892 0.00 0.00 WAT1 ATOM 4024 OH2 TIP3 682 7.211 -8.708 22.810 0.00 0.00 WAT1 ATOM 4025 H1 TIP3 682 7.962 -8.864 22.237 0.00 0.00 WAT1 ATOM 4026 H2 TIP3 682 6.872 -7.856 22.534 0.00 0.00 WAT1 ATOM 4027 OH2 TIP3 683 12.943 -8.104 25.916 0.00 0.00 WAT1 ATOM 4028 H1 TIP3 683 12.662 -7.395 25.338 0.00 0.00 WAT1 ATOM 4029 H2 TIP3 683 13.886 -8.177 25.765 0.00 0.00 WAT1 ATOM 4030 OH2 TIP3 684 3.695 -11.319 26.989 0.00 0.00 WAT1 ATOM 4031 H1 TIP3 684 2.928 -11.851 26.779 0.00 0.00 WAT1 ATOM 4032 H2 TIP3 684 4.374 -11.629 26.390 0.00 0.00 WAT1 ATOM 4033 OH2 TIP3 685 15.207 -4.555 27.808 0.00 0.00 WAT1 ATOM 4034 H1 TIP3 685 14.341 -4.660 28.202 0.00 0.00 WAT1 ATOM 4035 H2 TIP3 685 15.583 -3.796 28.255 0.00 0.00 WAT1 ATOM 4036 OH2 TIP3 686 16.508 -6.298 13.322 0.00 0.00 WAT1 ATOM 4037 H1 TIP3 686 17.358 -5.877 13.450 0.00 0.00 WAT1 ATOM 4038 H2 TIP3 686 16.513 -7.038 13.930 0.00 0.00 WAT1 ATOM 4039 OH2 TIP3 687 16.902 -8.245 15.146 0.00 0.00 WAT1 ATOM 4040 H1 TIP3 687 16.176 -8.724 15.544 0.00 0.00 WAT1 ATOM 4041 H2 TIP3 687 17.483 -8.039 15.878 0.00 0.00 WAT1 ATOM 4042 OH2 TIP3 688 16.661 -5.460 20.094 0.00 0.00 WAT1 ATOM 4043 H1 TIP3 688 17.495 -5.838 19.813 0.00 0.00 WAT1 ATOM 4044 H2 TIP3 688 16.773 -4.517 19.975 0.00 0.00 WAT1 ATOM 4045 OH2 TIP3 689 14.689 -9.724 15.709 0.00 0.00 WAT1 ATOM 4046 H1 TIP3 689 14.539 -10.669 15.689 0.00 0.00 WAT1 ATOM 4047 H2 TIP3 689 14.335 -9.443 16.553 0.00 0.00 WAT1 ATOM 4048 OH2 TIP3 690 15.545 -7.754 25.348 0.00 0.00 WAT1 ATOM 4049 H1 TIP3 690 16.128 -8.488 25.539 0.00 0.00 WAT1 ATOM 4050 H2 TIP3 690 16.109 -6.982 25.394 0.00 0.00 WAT1 ATOM 4051 OH2 TIP3 691 15.011 -11.560 19.607 0.00 0.00 WAT1 ATOM 4052 H1 TIP3 691 15.944 -11.348 19.573 0.00 0.00 WAT1 ATOM 4053 H2 TIP3 691 14.776 -11.458 20.530 0.00 0.00 WAT1 ATOM 4054 OH2 TIP3 692 15.040 -10.823 22.383 0.00 0.00 WAT1 ATOM 4055 H1 TIP3 692 14.197 -10.555 22.749 0.00 0.00 WAT1 ATOM 4056 H2 TIP3 692 15.483 -10.001 22.172 0.00 0.00 WAT1 ATOM 4057 OH2 TIP3 693 -0.678 -12.375 25.860 0.00 0.00 WAT1 ATOM 4058 H1 TIP3 693 0.241 -12.497 26.096 0.00 0.00 WAT1 ATOM 4059 H2 TIP3 693 -1.128 -13.125 26.249 0.00 0.00 WAT1 ATOM 4060 OH2 TIP3 694 0.543 -14.063 18.751 0.00 0.00 WAT1 ATOM 4061 H1 TIP3 694 0.988 -14.855 19.053 0.00 0.00 WAT1 ATOM 4062 H2 TIP3 694 1.009 -13.347 19.182 0.00 0.00 WAT1 ATOM 4063 OH2 TIP3 695 -1.153 -11.064 19.820 0.00 0.00 WAT1 ATOM 4064 H1 TIP3 695 -0.661 -11.285 19.030 0.00 0.00 WAT1 ATOM 4065 H2 TIP3 695 -0.791 -10.223 20.101 0.00 0.00 WAT1 ATOM 4066 OH2 TIP3 696 13.931 0.178 15.820 0.00 0.00 WAT1 ATOM 4067 H1 TIP3 696 14.584 -0.169 15.212 0.00 0.00 WAT1 ATOM 4068 H2 TIP3 696 14.442 0.667 16.466 0.00 0.00 WAT1 ATOM 4069 OH2 TIP3 697 -0.876 -16.068 22.219 0.00 0.00 WAT1 ATOM 4070 H1 TIP3 697 -1.541 -16.314 22.862 0.00 0.00 WAT1 ATOM 4071 H2 TIP3 697 -1.319 -15.446 21.642 0.00 0.00 WAT1 ATOM 4072 OH2 TIP3 698 1.600 -16.561 16.050 0.00 0.00 WAT1 ATOM 4073 H1 TIP3 698 0.823 -16.795 15.542 0.00 0.00 WAT1 ATOM 4074 H2 TIP3 698 2.131 -17.358 16.058 0.00 0.00 WAT1 ATOM 4075 OH2 TIP3 699 6.180 -16.634 15.863 0.00 0.00 WAT1 ATOM 4076 H1 TIP3 699 7.054 -16.246 15.833 0.00 0.00 WAT1 ATOM 4077 H2 TIP3 699 6.044 -16.849 16.786 0.00 0.00 WAT1 ATOM 4078 OH2 TIP3 700 2.298 -14.847 10.296 0.00 0.00 WAT1 ATOM 4079 H1 TIP3 700 2.789 -15.477 9.768 0.00 0.00 WAT1 ATOM 4080 H2 TIP3 700 2.921 -14.551 10.959 0.00 0.00 WAT1 ATOM 4081 OH2 TIP3 701 7.324 -14.554 12.753 0.00 0.00 WAT1 ATOM 4082 H1 TIP3 701 7.502 -15.200 13.436 0.00 0.00 WAT1 ATOM 4083 H2 TIP3 701 7.270 -13.720 13.220 0.00 0.00 WAT1 ATOM 4084 OH2 TIP3 702 9.202 0.395 11.148 0.00 0.00 WAT1 ATOM 4085 H1 TIP3 702 10.068 0.761 10.970 0.00 0.00 WAT1 ATOM 4086 H2 TIP3 702 8.955 -0.045 10.335 0.00 0.00 WAT1 ATOM 4087 OH2 TIP3 703 16.664 -14.116 39.550 0.00 0.00 WAT1 ATOM 4088 H1 TIP3 703 16.713 -13.506 40.286 0.00 0.00 WAT1 ATOM 4089 H2 TIP3 703 17.090 -13.655 38.827 0.00 0.00 WAT1 ATOM 4090 OH2 TIP3 704 4.297 -13.222 36.289 0.00 0.00 WAT1 ATOM 4091 H1 TIP3 704 4.340 -12.362 35.871 0.00 0.00 WAT1 ATOM 4092 H2 TIP3 704 3.839 -13.774 35.656 0.00 0.00 WAT1 ATOM 4093 OH2 TIP3 705 12.019 -13.091 34.690 0.00 0.00 WAT1 ATOM 4094 H1 TIP3 705 12.665 -13.420 35.315 0.00 0.00 WAT1 ATOM 4095 H2 TIP3 705 12.529 -12.573 34.067 0.00 0.00 WAT1 ATOM 4096 OH2 TIP3 706 13.783 -13.800 36.671 0.00 0.00 WAT1 ATOM 4097 H1 TIP3 706 13.568 -14.566 37.203 0.00 0.00 WAT1 ATOM 4098 H2 TIP3 706 14.439 -13.328 37.184 0.00 0.00 WAT1 ATOM 4099 OH2 TIP3 707 7.133 -16.998 37.816 0.00 0.00 WAT1 ATOM 4100 H1 TIP3 707 7.016 -17.947 37.762 0.00 0.00 WAT1 ATOM 4101 H2 TIP3 707 6.278 -16.666 38.089 0.00 0.00 WAT1 ATOM 4102 OH2 TIP3 708 9.454 -9.703 29.355 0.00 0.00 WAT1 ATOM 4103 H1 TIP3 708 10.155 -9.681 30.006 0.00 0.00 WAT1 ATOM 4104 H2 TIP3 708 9.756 -10.331 28.699 0.00 0.00 WAT1 ATOM 4105 OH2 TIP3 709 11.677 -8.789 30.953 0.00 0.00 WAT1 ATOM 4106 H1 TIP3 709 12.256 -8.639 31.700 0.00 0.00 WAT1 ATOM 4107 H2 TIP3 709 12.091 -8.318 30.230 0.00 0.00 WAT1 ATOM 4108 OH2 TIP3 710 4.402 -16.095 38.594 0.00 0.00 WAT1 ATOM 4109 H1 TIP3 710 3.541 -16.182 38.186 0.00 0.00 WAT1 ATOM 4110 H2 TIP3 710 4.380 -15.239 39.021 0.00 0.00 WAT1 ATOM 4111 OH2 TIP3 711 13.154 -7.756 28.583 0.00 0.00 WAT1 ATOM 4112 H1 TIP3 711 13.196 -7.979 27.653 0.00 0.00 WAT1 ATOM 4113 H2 TIP3 711 14.003 -7.358 28.773 0.00 0.00 WAT1 ATOM 4114 OH2 TIP3 712 10.026 -10.492 33.418 0.00 0.00 WAT1 ATOM 4115 H1 TIP3 712 9.617 -9.677 33.126 0.00 0.00 WAT1 ATOM 4116 H2 TIP3 712 10.746 -10.632 32.803 0.00 0.00 WAT1 ATOM 4117 OH2 TIP3 713 -1.149 -13.693 35.406 0.00 0.00 WAT1 ATOM 4118 H1 TIP3 713 -0.518 -13.722 36.126 0.00 0.00 WAT1 ATOM 4119 H2 TIP3 713 -0.699 -14.118 34.676 0.00 0.00 WAT1 ATOM 4120 OH2 TIP3 714 0.126 -12.947 30.830 0.00 0.00 WAT1 ATOM 4121 H1 TIP3 714 0.600 -12.356 30.245 0.00 0.00 WAT1 ATOM 4122 H2 TIP3 714 -0.592 -12.416 31.177 0.00 0.00 WAT1 ATOM 4123 OH2 TIP3 715 7.072 -13.481 35.687 0.00 0.00 WAT1 ATOM 4124 H1 TIP3 715 6.161 -13.424 35.976 0.00 0.00 WAT1 ATOM 4125 H2 TIP3 715 7.577 -13.541 36.498 0.00 0.00 WAT1 ATOM 4126 OH2 TIP3 716 1.900 -11.852 34.514 0.00 0.00 WAT1 ATOM 4127 H1 TIP3 716 1.011 -11.752 34.174 0.00 0.00 WAT1 ATOM 4128 H2 TIP3 716 2.196 -12.694 34.168 0.00 0.00 WAT1 ATOM 4129 OH2 TIP3 717 5.553 -11.852 32.170 0.00 0.00 WAT1 ATOM 4130 H1 TIP3 717 6.485 -11.723 32.348 0.00 0.00 WAT1 ATOM 4131 H2 TIP3 717 5.338 -11.182 31.521 0.00 0.00 WAT1 ATOM 4132 OH2 TIP3 718 4.227 -10.657 29.737 0.00 0.00 WAT1 ATOM 4133 H1 TIP3 718 3.685 -11.037 29.046 0.00 0.00 WAT1 ATOM 4134 H2 TIP3 718 5.061 -10.463 29.308 0.00 0.00 WAT1 ATOM 4135 OH2 TIP3 719 3.394 -14.557 33.992 0.00 0.00 WAT1 ATOM 4136 H1 TIP3 719 3.077 -15.459 33.957 0.00 0.00 WAT1 ATOM 4137 H2 TIP3 719 4.175 -14.555 33.440 0.00 0.00 WAT1 ATOM 4138 OH2 TIP3 720 12.178 -11.411 31.533 0.00 0.00 WAT1 ATOM 4139 H1 TIP3 720 13.070 -11.548 31.852 0.00 0.00 WAT1 ATOM 4140 H2 TIP3 720 12.235 -10.620 30.996 0.00 0.00 WAT1 ATOM 4141 OH2 TIP3 721 10.848 -14.190 32.302 0.00 0.00 WAT1 ATOM 4142 H1 TIP3 721 11.068 -13.718 31.499 0.00 0.00 WAT1 ATOM 4143 H2 TIP3 721 11.406 -13.795 32.973 0.00 0.00 WAT1 ATOM 4144 OH2 TIP3 722 8.048 -12.462 33.137 0.00 0.00 WAT1 ATOM 4145 H1 TIP3 722 8.860 -11.958 33.183 0.00 0.00 WAT1 ATOM 4146 H2 TIP3 722 7.803 -12.607 34.051 0.00 0.00 WAT1 ATOM 4147 OH2 TIP3 723 8.932 -15.381 34.075 0.00 0.00 WAT1 ATOM 4148 H1 TIP3 723 8.585 -14.763 34.720 0.00 0.00 WAT1 ATOM 4149 H2 TIP3 723 9.590 -14.880 33.594 0.00 0.00 WAT1 ATOM 4150 OH2 TIP3 724 4.589 -14.318 30.763 0.00 0.00 WAT1 ATOM 4151 H1 TIP3 724 4.506 -13.429 31.109 0.00 0.00 WAT1 ATOM 4152 H2 TIP3 724 5.479 -14.583 30.994 0.00 0.00 WAT1 ATOM 4153 OH2 TIP3 725 1.164 -11.226 28.939 0.00 0.00 WAT1 ATOM 4154 H1 TIP3 725 1.119 -10.287 29.118 0.00 0.00 WAT1 ATOM 4155 H2 TIP3 725 0.276 -11.462 28.669 0.00 0.00 WAT1 ATOM 4156 OH2 TIP3 726 1.972 -16.444 37.612 0.00 0.00 WAT1 ATOM 4157 H1 TIP3 726 1.743 -16.385 36.685 0.00 0.00 WAT1 ATOM 4158 H2 TIP3 726 1.529 -17.236 37.919 0.00 0.00 WAT1 ATOM 4159 OH2 TIP3 727 6.659 -9.522 28.758 0.00 0.00 WAT1 ATOM 4160 H1 TIP3 727 6.479 -9.676 27.830 0.00 0.00 WAT1 ATOM 4161 H2 TIP3 727 7.610 -9.414 28.802 0.00 0.00 WAT1 ATOM 4162 OH2 TIP3 728 16.049 -7.167 28.203 0.00 0.00 WAT1 ATOM 4163 H1 TIP3 728 15.776 -7.592 27.390 0.00 0.00 WAT1 ATOM 4164 H2 TIP3 728 16.089 -6.236 27.986 0.00 0.00 WAT1 ATOM 4165 OH2 TIP3 729 16.508 -6.298 32.178 0.00 0.00 WAT1 ATOM 4166 H1 TIP3 729 17.358 -5.877 32.306 0.00 0.00 WAT1 ATOM 4167 H2 TIP3 729 16.513 -7.038 32.786 0.00 0.00 WAT1 ATOM 4168 OH2 TIP3 730 16.902 -8.245 34.002 0.00 0.00 WAT1 ATOM 4169 H1 TIP3 730 16.176 -8.724 34.400 0.00 0.00 WAT1 ATOM 4170 H2 TIP3 730 17.483 -8.039 34.734 0.00 0.00 WAT1 ATOM 4171 OH2 TIP3 731 17.170 -8.344 30.393 0.00 0.00 WAT1 ATOM 4172 H1 TIP3 731 16.649 -7.987 29.674 0.00 0.00 WAT1 ATOM 4173 H2 TIP3 731 17.137 -7.669 31.071 0.00 0.00 WAT1 ATOM 4174 OH2 TIP3 732 14.689 -9.724 34.565 0.00 0.00 WAT1 ATOM 4175 H1 TIP3 732 14.539 -10.669 34.545 0.00 0.00 WAT1 ATOM 4176 H2 TIP3 732 14.335 -9.443 35.409 0.00 0.00 WAT1 ATOM 4177 OH2 TIP3 733 14.399 -12.141 33.027 0.00 0.00 WAT1 ATOM 4178 H1 TIP3 733 14.679 -13.048 33.152 0.00 0.00 WAT1 ATOM 4179 H2 TIP3 733 15.158 -11.707 32.638 0.00 0.00 WAT1 ATOM 4180 OH2 TIP3 734 0.543 -14.063 37.607 0.00 0.00 WAT1 ATOM 4181 H1 TIP3 734 0.988 -14.855 37.909 0.00 0.00 WAT1 ATOM 4182 H2 TIP3 734 1.009 -13.347 38.038 0.00 0.00 WAT1 ATOM 4183 OH2 TIP3 735 -0.840 -14.806 32.731 0.00 0.00 WAT1 ATOM 4184 H1 TIP3 735 -1.765 -14.597 32.601 0.00 0.00 WAT1 ATOM 4185 H2 TIP3 735 -0.386 -14.322 32.041 0.00 0.00 WAT1 ATOM 4186 OH2 TIP3 736 9.274 -15.195 37.084 0.00 0.00 WAT1 ATOM 4187 H1 TIP3 736 8.599 -15.824 37.339 0.00 0.00 WAT1 ATOM 4188 H2 TIP3 736 9.838 -15.679 36.481 0.00 0.00 WAT1 ATOM 4189 OH2 TIP3 737 14.416 -17.088 37.196 0.00 0.00 WAT1 ATOM 4190 H1 TIP3 737 15.020 -16.540 36.695 0.00 0.00 WAT1 ATOM 4191 H2 TIP3 737 13.547 -16.768 36.956 0.00 0.00 WAT1 ATOM 4192 OH2 TIP3 738 6.180 -16.634 34.719 0.00 0.00 WAT1 ATOM 4193 H1 TIP3 738 7.054 -16.246 34.689 0.00 0.00 WAT1 ATOM 4194 H2 TIP3 738 6.044 -16.849 35.642 0.00 0.00 WAT1 ATOM 4195 OH2 TIP3 739 11.737 -16.604 36.368 0.00 0.00 WAT1 ATOM 4196 H1 TIP3 739 11.813 -16.509 35.419 0.00 0.00 WAT1 ATOM 4197 H2 TIP3 739 11.461 -17.512 36.497 0.00 0.00 WAT1 ATOM 4198 OH2 TIP3 740 7.324 -14.554 31.609 0.00 0.00 WAT1 ATOM 4199 H1 TIP3 740 7.502 -15.200 32.292 0.00 0.00 WAT1 ATOM 4200 H2 TIP3 740 7.270 -13.720 32.076 0.00 0.00 WAT1 ATOM 4201 OH2 TIP3 741 14.788 5.287 5.445 0.00 0.00 WAT1 ATOM 4202 H1 TIP3 741 13.872 5.550 5.357 0.00 0.00 WAT1 ATOM 4203 H2 TIP3 741 15.124 5.284 4.548 0.00 0.00 WAT1 ATOM 4204 OH2 TIP3 742 12.049 4.248 8.790 0.00 0.00 WAT1 ATOM 4205 H1 TIP3 742 11.952 3.296 8.784 0.00 0.00 WAT1 ATOM 4206 H2 TIP3 742 11.727 4.517 9.651 0.00 0.00 WAT1 ATOM 4207 OH2 TIP3 743 16.843 4.122 7.230 0.00 0.00 WAT1 ATOM 4208 H1 TIP3 743 15.926 4.393 7.194 0.00 0.00 WAT1 ATOM 4209 H2 TIP3 743 16.966 3.587 6.446 0.00 0.00 WAT1 ATOM 4210 OH2 TIP3 744 15.844 2.212 5.049 0.00 0.00 WAT1 ATOM 4211 H1 TIP3 744 15.031 2.537 4.661 0.00 0.00 WAT1 ATOM 4212 H2 TIP3 744 16.077 1.452 4.516 0.00 0.00 WAT1 ATOM 4213 OH2 TIP3 745 11.953 1.492 8.429 0.00 0.00 WAT1 ATOM 4214 H1 TIP3 745 12.029 1.066 9.283 0.00 0.00 WAT1 ATOM 4215 H2 TIP3 745 12.846 1.506 8.087 0.00 0.00 WAT1 ATOM 4216 OH2 TIP3 746 11.460 5.578 11.016 0.00 0.00 WAT1 ATOM 4217 H1 TIP3 746 10.522 5.690 10.865 0.00 0.00 WAT1 ATOM 4218 H2 TIP3 746 11.757 6.435 11.322 0.00 0.00 WAT1 ATOM 4219 OH2 TIP3 747 17.063 7.655 12.371 0.00 0.00 WAT1 ATOM 4220 H1 TIP3 747 16.509 7.259 11.699 0.00 0.00 WAT1 ATOM 4221 H2 TIP3 747 17.164 8.565 12.094 0.00 0.00 WAT1 ATOM 4222 OH2 TIP3 748 15.519 7.752 10.088 0.00 0.00 WAT1 ATOM 4223 H1 TIP3 748 15.616 8.419 9.408 0.00 0.00 WAT1 ATOM 4224 H2 TIP3 748 15.379 6.936 9.606 0.00 0.00 WAT1 ATOM 4225 OH2 TIP3 749 14.767 5.160 9.205 0.00 0.00 WAT1 ATOM 4226 H1 TIP3 749 15.377 4.788 9.842 0.00 0.00 WAT1 ATOM 4227 H2 TIP3 749 13.930 4.738 9.401 0.00 0.00 WAT1 ATOM 4228 OH2 TIP3 750 15.013 3.978 14.220 0.00 0.00 WAT1 ATOM 4229 H1 TIP3 750 15.195 3.529 15.045 0.00 0.00 WAT1 ATOM 4230 H2 TIP3 750 14.413 3.393 13.756 0.00 0.00 WAT1 ATOM 4231 OH2 TIP3 751 16.143 2.907 16.674 0.00 0.00 WAT1 ATOM 4232 H1 TIP3 751 16.755 2.393 16.147 0.00 0.00 WAT1 ATOM 4233 H2 TIP3 751 16.526 3.785 16.697 0.00 0.00 WAT1 ATOM 4234 OH2 TIP3 752 13.090 2.278 13.205 0.00 0.00 WAT1 ATOM 4235 H1 TIP3 752 12.387 2.892 12.995 0.00 0.00 WAT1 ATOM 4236 H2 TIP3 752 12.645 1.440 13.336 0.00 0.00 WAT1 ATOM 4237 OH2 TIP3 753 19.047 -37.603 7.391 0.00 0.00 WAT1 ATOM 4238 H1 TIP3 753 19.587 -37.820 8.150 0.00 0.00 WAT1 ATOM 4239 H2 TIP3 753 18.566 -38.409 7.201 0.00 0.00 WAT1 ATOM 4240 OH2 TIP3 754 23.644 -38.684 9.011 0.00 0.00 WAT1 ATOM 4241 H1 TIP3 754 24.412 -39.143 9.352 0.00 0.00 WAT1 ATOM 4242 H2 TIP3 754 23.623 -38.910 8.081 0.00 0.00 WAT1 ATOM 4243 OH2 TIP3 755 28.468 -45.862 19.427 0.00 0.00 WAT1 ATOM 4244 H1 TIP3 755 28.430 -46.508 20.132 0.00 0.00 WAT1 ATOM 4245 H2 TIP3 755 28.145 -46.328 18.656 0.00 0.00 WAT1 ATOM 4246 OH2 TIP3 756 20.836 -46.247 21.020 0.00 0.00 WAT1 ATOM 4247 H1 TIP3 756 20.878 -46.873 21.744 0.00 0.00 WAT1 ATOM 4248 H2 TIP3 756 21.539 -45.624 21.202 0.00 0.00 WAT1 ATOM 4249 OH2 TIP3 757 19.080 -45.975 17.074 0.00 0.00 WAT1 ATOM 4250 H1 TIP3 757 19.294 -46.745 17.601 0.00 0.00 WAT1 ATOM 4251 H2 TIP3 757 19.818 -45.886 16.471 0.00 0.00 WAT1 ATOM 4252 OH2 TIP3 758 29.285 -37.818 17.941 0.00 0.00 WAT1 ATOM 4253 H1 TIP3 758 29.905 -38.495 17.668 0.00 0.00 WAT1 ATOM 4254 H2 TIP3 758 29.077 -38.036 18.849 0.00 0.00 WAT1 ATOM 4255 OH2 TIP3 759 24.929 -46.987 17.411 0.00 0.00 WAT1 ATOM 4256 H1 TIP3 759 25.545 -47.513 17.920 0.00 0.00 WAT1 ATOM 4257 H2 TIP3 759 24.343 -47.627 17.007 0.00 0.00 WAT1 ATOM 4258 OH2 TIP3 760 29.332 -42.516 15.051 0.00 0.00 WAT1 ATOM 4259 H1 TIP3 760 29.036 -42.838 14.200 0.00 0.00 WAT1 ATOM 4260 H2 TIP3 760 29.008 -41.616 15.093 0.00 0.00 WAT1 ATOM 4261 OH2 TIP3 761 30.938 -39.302 16.702 0.00 0.00 WAT1 ATOM 4262 H1 TIP3 761 31.363 -40.009 16.217 0.00 0.00 WAT1 ATOM 4263 H2 TIP3 761 31.255 -38.501 16.285 0.00 0.00 WAT1 ATOM 4264 OH2 TIP3 762 23.307 -45.033 16.295 0.00 0.00 WAT1 ATOM 4265 H1 TIP3 762 22.977 -45.403 15.476 0.00 0.00 WAT1 ATOM 4266 H2 TIP3 762 23.895 -45.703 16.641 0.00 0.00 WAT1 ATOM 4267 OH2 TIP3 763 23.674 -46.264 19.928 0.00 0.00 WAT1 ATOM 4268 H1 TIP3 763 24.239 -46.143 19.165 0.00 0.00 WAT1 ATOM 4269 H2 TIP3 763 23.993 -45.627 20.567 0.00 0.00 WAT1 ATOM 4270 OH2 TIP3 764 29.983 -40.761 20.662 0.00 0.00 WAT1 ATOM 4271 H1 TIP3 764 29.742 -40.099 21.310 0.00 0.00 WAT1 ATOM 4272 H2 TIP3 764 29.785 -41.595 21.087 0.00 0.00 WAT1 ATOM 4273 OH2 TIP3 765 21.474 -45.667 23.874 0.00 0.00 WAT1 ATOM 4274 H1 TIP3 765 21.544 -45.016 24.572 0.00 0.00 WAT1 ATOM 4275 H2 TIP3 765 20.583 -45.564 23.539 0.00 0.00 WAT1 ATOM 4276 OH2 TIP3 766 28.259 -39.764 15.532 0.00 0.00 WAT1 ATOM 4277 H1 TIP3 766 28.733 -39.469 16.310 0.00 0.00 WAT1 ATOM 4278 H2 TIP3 766 27.696 -39.026 15.299 0.00 0.00 WAT1 ATOM 4279 OH2 TIP3 767 22.297 -45.963 13.884 0.00 0.00 WAT1 ATOM 4280 H1 TIP3 767 22.005 -45.195 13.393 0.00 0.00 WAT1 ATOM 4281 H2 TIP3 767 21.623 -46.623 13.721 0.00 0.00 WAT1 ATOM 4282 OH2 TIP3 768 27.731 -36.808 13.947 0.00 0.00 WAT1 ATOM 4283 H1 TIP3 768 27.656 -36.929 13.001 0.00 0.00 WAT1 ATOM 4284 H2 TIP3 768 27.764 -35.858 14.066 0.00 0.00 WAT1 ATOM 4285 OH2 TIP3 769 23.349 -48.841 20.833 0.00 0.00 WAT1 ATOM 4286 H1 TIP3 769 22.707 -48.882 21.542 0.00 0.00 WAT1 ATOM 4287 H2 TIP3 769 23.386 -47.915 20.595 0.00 0.00 WAT1 ATOM 4288 OH2 TIP3 770 21.099 -48.521 22.700 0.00 0.00 WAT1 ATOM 4289 H1 TIP3 770 21.061 -48.121 23.568 0.00 0.00 WAT1 ATOM 4290 H2 TIP3 770 20.608 -49.338 22.790 0.00 0.00 WAT1 ATOM 4291 OH2 TIP3 771 29.150 -47.120 22.047 0.00 0.00 WAT1 ATOM 4292 H1 TIP3 771 29.474 -47.751 21.404 0.00 0.00 WAT1 ATOM 4293 H2 TIP3 771 28.710 -47.655 22.708 0.00 0.00 WAT1 ATOM 4294 OH2 TIP3 772 27.938 -43.620 24.054 0.00 0.00 WAT1 ATOM 4295 H1 TIP3 772 27.592 -44.001 24.860 0.00 0.00 WAT1 ATOM 4296 H2 TIP3 772 27.738 -42.686 24.125 0.00 0.00 WAT1 ATOM 4297 OH2 TIP3 773 21.543 -44.509 18.586 0.00 0.00 WAT1 ATOM 4298 H1 TIP3 773 22.288 -44.511 17.985 0.00 0.00 WAT1 ATOM 4299 H2 TIP3 773 21.621 -45.333 19.068 0.00 0.00 WAT1 ATOM 4300 OH2 TIP3 774 25.568 -46.531 26.114 0.00 0.00 WAT1 ATOM 4301 H1 TIP3 774 25.272 -46.697 25.219 0.00 0.00 WAT1 ATOM 4302 H2 TIP3 774 26.499 -46.751 26.104 0.00 0.00 WAT1 ATOM 4303 OH2 TIP3 775 30.188 -41.158 24.004 0.00 0.00 WAT1 ATOM 4304 H1 TIP3 775 29.287 -40.975 23.736 0.00 0.00 WAT1 ATOM 4305 H2 TIP3 775 30.222 -40.899 24.925 0.00 0.00 WAT1 ATOM 4306 OH2 TIP3 776 25.345 -43.328 15.567 0.00 0.00 WAT1 ATOM 4307 H1 TIP3 776 25.104 -42.403 15.609 0.00 0.00 WAT1 ATOM 4308 H2 TIP3 776 24.605 -43.787 15.963 0.00 0.00 WAT1 ATOM 4309 OH2 TIP3 777 29.404 -43.080 21.583 0.00 0.00 WAT1 ATOM 4310 H1 TIP3 777 28.978 -43.307 22.409 0.00 0.00 WAT1 ATOM 4311 H2 TIP3 777 29.985 -43.818 21.400 0.00 0.00 WAT1 ATOM 4312 OH2 TIP3 778 32.063 -38.528 24.052 0.00 0.00 WAT1 ATOM 4313 H1 TIP3 778 31.461 -39.083 23.557 0.00 0.00 WAT1 ATOM 4314 H2 TIP3 778 32.344 -37.861 23.426 0.00 0.00 WAT1 ATOM 4315 OH2 TIP3 779 24.635 -41.469 11.560 0.00 0.00 WAT1 ATOM 4316 H1 TIP3 779 24.782 -41.989 12.350 0.00 0.00 WAT1 ATOM 4317 H2 TIP3 779 24.632 -40.562 11.866 0.00 0.00 WAT1 ATOM 4318 OH2 TIP3 780 21.088 -44.216 12.070 0.00 0.00 WAT1 ATOM 4319 H1 TIP3 780 20.402 -43.864 12.637 0.00 0.00 WAT1 ATOM 4320 H2 TIP3 780 21.611 -43.453 11.824 0.00 0.00 WAT1 ATOM 4321 OH2 TIP3 781 27.373 -39.771 12.309 0.00 0.00 WAT1 ATOM 4322 H1 TIP3 781 26.556 -39.274 12.362 0.00 0.00 WAT1 ATOM 4323 H2 TIP3 781 27.902 -39.296 11.669 0.00 0.00 WAT1 ATOM 4324 OH2 TIP3 782 24.711 -38.728 12.291 0.00 0.00 WAT1 ATOM 4325 H1 TIP3 782 24.872 -37.928 11.790 0.00 0.00 WAT1 ATOM 4326 H2 TIP3 782 24.514 -38.421 13.176 0.00 0.00 WAT1 ATOM 4327 OH2 TIP3 783 21.704 -41.602 10.967 0.00 0.00 WAT1 ATOM 4328 H1 TIP3 783 22.296 -40.903 11.243 0.00 0.00 WAT1 ATOM 4329 H2 TIP3 783 22.163 -42.035 10.248 0.00 0.00 WAT1 ATOM 4330 OH2 TIP3 784 30.221 -40.304 26.596 0.00 0.00 WAT1 ATOM 4331 H1 TIP3 784 29.870 -41.160 26.839 0.00 0.00 WAT1 ATOM 4332 H2 TIP3 784 30.947 -40.161 27.203 0.00 0.00 WAT1 ATOM 4333 OH2 TIP3 785 31.344 -43.907 24.017 0.00 0.00 WAT1 ATOM 4334 H1 TIP3 785 32.089 -43.319 23.897 0.00 0.00 WAT1 ATOM 4335 H2 TIP3 785 30.587 -43.325 24.080 0.00 0.00 WAT1 ATOM 4336 OH2 TIP3 786 19.786 -46.593 26.621 0.00 0.00 WAT1 ATOM 4337 H1 TIP3 786 20.194 -47.450 26.500 0.00 0.00 WAT1 ATOM 4338 H2 TIP3 786 19.526 -46.578 27.542 0.00 0.00 WAT1 ATOM 4339 OH2 TIP3 787 23.733 -47.584 23.995 0.00 0.00 WAT1 ATOM 4340 H1 TIP3 787 23.115 -46.909 24.276 0.00 0.00 WAT1 ATOM 4341 H2 TIP3 787 24.077 -47.263 23.162 0.00 0.00 WAT1 ATOM 4342 OH2 TIP3 788 28.753 -45.113 27.273 0.00 0.00 WAT1 ATOM 4343 H1 TIP3 788 29.706 -45.029 27.245 0.00 0.00 WAT1 ATOM 4344 H2 TIP3 788 28.593 -45.824 27.892 0.00 0.00 WAT1 ATOM 4345 OH2 TIP3 789 26.067 -46.420 22.810 0.00 0.00 WAT1 ATOM 4346 H1 TIP3 789 26.818 -46.576 22.237 0.00 0.00 WAT1 ATOM 4347 H2 TIP3 789 25.728 -45.568 22.534 0.00 0.00 WAT1 ATOM 4348 OH2 TIP3 790 22.551 -49.031 26.989 0.00 0.00 WAT1 ATOM 4349 H1 TIP3 790 21.784 -49.563 26.779 0.00 0.00 WAT1 ATOM 4350 H2 TIP3 790 23.230 -49.341 26.390 0.00 0.00 WAT1 ATOM 4351 OH2 TIP3 791 25.413 -36.543 10.903 0.00 0.00 WAT1 ATOM 4352 H1 TIP3 791 26.346 -36.385 11.047 0.00 0.00 WAT1 ATOM 4353 H2 TIP3 791 25.149 -35.868 10.278 0.00 0.00 WAT1 ATOM 4354 OH2 TIP3 792 18.981 -41.907 10.386 0.00 0.00 WAT1 ATOM 4355 H1 TIP3 792 19.895 -41.828 10.659 0.00 0.00 WAT1 ATOM 4356 H2 TIP3 792 18.988 -42.594 9.719 0.00 0.00 WAT1 ATOM 4357 OH2 TIP3 793 18.580 -45.358 19.719 0.00 0.00 WAT1 ATOM 4358 H1 TIP3 793 18.764 -45.440 18.784 0.00 0.00 WAT1 ATOM 4359 H2 TIP3 793 19.429 -45.482 20.143 0.00 0.00 WAT1 ATOM 4360 OH2 TIP3 794 18.178 -50.087 25.860 0.00 0.00 WAT1 ATOM 4361 H1 TIP3 794 19.097 -50.209 26.096 0.00 0.00 WAT1 ATOM 4362 H2 TIP3 794 17.728 -50.837 26.249 0.00 0.00 WAT1 ATOM 4363 OH2 TIP3 795 17.703 -48.776 19.820 0.00 0.00 WAT1 ATOM 4364 H1 TIP3 795 18.195 -48.997 19.030 0.00 0.00 WAT1 ATOM 4365 H2 TIP3 795 18.065 -47.935 20.101 0.00 0.00 WAT1 ATOM 4366 OH2 TIP3 796 29.782 -36.946 24.825 0.00 0.00 WAT1 ATOM 4367 H1 TIP3 796 30.459 -37.578 24.585 0.00 0.00 WAT1 ATOM 4368 H2 TIP3 796 30.104 -36.544 25.633 0.00 0.00 WAT1 ATOM 4369 OH2 TIP3 797 27.706 -36.886 20.875 0.00 0.00 WAT1 ATOM 4370 H1 TIP3 797 27.249 -36.357 20.221 0.00 0.00 WAT1 ATOM 4371 H2 TIP3 797 27.869 -36.283 21.600 0.00 0.00 WAT1 ATOM 4372 OH2 TIP3 798 30.033 -38.008 21.820 0.00 0.00 WAT1 ATOM 4373 H1 TIP3 798 29.129 -37.843 21.554 0.00 0.00 WAT1 ATOM 4374 H2 TIP3 798 30.462 -37.155 21.754 0.00 0.00 WAT1 ATOM 4375 OH2 TIP3 799 21.012 -37.607 9.776 0.00 0.00 WAT1 ATOM 4376 H1 TIP3 799 20.744 -37.320 10.649 0.00 0.00 WAT1 ATOM 4377 H2 TIP3 799 21.783 -38.153 9.928 0.00 0.00 WAT1 ATOM 4378 OH2 TIP3 800 20.836 -46.247 39.876 0.00 0.00 WAT1 ATOM 4379 H1 TIP3 800 20.878 -46.873 40.600 0.00 0.00 WAT1 ATOM 4380 H2 TIP3 800 21.539 -45.624 40.058 0.00 0.00 WAT1 ATOM 4381 OH2 TIP3 801 18.370 -48.137 33.804 0.00 0.00 WAT1 ATOM 4382 H1 TIP3 801 17.922 -47.291 33.786 0.00 0.00 WAT1 ATOM 4383 H2 TIP3 801 17.809 -48.717 33.289 0.00 0.00 WAT1 ATOM 4384 OH2 TIP3 802 19.773 -48.537 37.051 0.00 0.00 WAT1 ATOM 4385 H1 TIP3 802 20.427 -49.087 37.483 0.00 0.00 WAT1 ATOM 4386 H2 TIP3 802 19.797 -48.811 36.135 0.00 0.00 WAT1 ATOM 4387 OH2 TIP3 803 24.929 -46.987 36.267 0.00 0.00 WAT1 ATOM 4388 H1 TIP3 803 25.545 -47.513 36.776 0.00 0.00 WAT1 ATOM 4389 H2 TIP3 803 24.343 -47.627 35.863 0.00 0.00 WAT1 ATOM 4390 OH2 TIP3 804 24.532 -44.340 40.651 0.00 0.00 WAT1 ATOM 4391 H1 TIP3 804 23.792 -43.742 40.754 0.00 0.00 WAT1 ATOM 4392 H2 TIP3 804 25.246 -43.786 40.335 0.00 0.00 WAT1 ATOM 4393 OH2 TIP3 805 22.940 -42.376 41.438 0.00 0.00 WAT1 ATOM 4394 H1 TIP3 805 22.934 -41.497 41.060 0.00 0.00 WAT1 ATOM 4395 H2 TIP3 805 22.086 -42.459 41.863 0.00 0.00 WAT1 ATOM 4396 OH2 TIP3 806 23.307 -45.033 35.151 0.00 0.00 WAT1 ATOM 4397 H1 TIP3 806 22.977 -45.403 34.332 0.00 0.00 WAT1 ATOM 4398 H2 TIP3 806 23.895 -45.703 35.497 0.00 0.00 WAT1 ATOM 4399 OH2 TIP3 807 24.674 -41.605 37.832 0.00 0.00 WAT1 ATOM 4400 H1 TIP3 807 24.579 -42.183 37.075 0.00 0.00 WAT1 ATOM 4401 H2 TIP3 807 25.403 -41.976 38.328 0.00 0.00 WAT1 ATOM 4402 OH2 TIP3 808 23.674 -46.264 38.784 0.00 0.00 WAT1 ATOM 4403 H1 TIP3 808 24.239 -46.143 38.021 0.00 0.00 WAT1 ATOM 4404 H2 TIP3 808 23.993 -45.627 39.423 0.00 0.00 WAT1 ATOM 4405 OH2 TIP3 809 24.554 -41.865 43.501 0.00 0.00 WAT1 ATOM 4406 H1 TIP3 809 24.242 -41.083 43.957 0.00 0.00 WAT1 ATOM 4407 H2 TIP3 809 23.904 -42.018 42.815 0.00 0.00 WAT1 ATOM 4408 OH2 TIP3 810 21.474 -45.667 42.730 0.00 0.00 WAT1 ATOM 4409 H1 TIP3 810 21.544 -45.016 43.428 0.00 0.00 WAT1 ATOM 4410 H2 TIP3 810 20.583 -45.564 42.395 0.00 0.00 WAT1 ATOM 4411 OH2 TIP3 811 28.259 -39.764 34.388 0.00 0.00 WAT1 ATOM 4412 H1 TIP3 811 28.733 -39.469 35.166 0.00 0.00 WAT1 ATOM 4413 H2 TIP3 811 27.696 -39.026 34.155 0.00 0.00 WAT1 ATOM 4414 OH2 TIP3 812 22.793 -39.793 44.265 0.00 0.00 WAT1 ATOM 4415 H1 TIP3 812 22.801 -39.929 43.317 0.00 0.00 WAT1 ATOM 4416 H2 TIP3 812 21.877 -39.911 44.517 0.00 0.00 WAT1 ATOM 4417 OH2 TIP3 813 18.390 -43.600 41.555 0.00 0.00 WAT1 ATOM 4418 H1 TIP3 813 17.889 -43.628 40.740 0.00 0.00 WAT1 ATOM 4419 H2 TIP3 813 18.396 -44.506 41.865 0.00 0.00 WAT1 ATOM 4420 OH2 TIP3 814 27.317 -40.580 42.997 0.00 0.00 WAT1 ATOM 4421 H1 TIP3 814 27.404 -39.754 43.472 0.00 0.00 WAT1 ATOM 4422 H2 TIP3 814 26.453 -40.910 43.246 0.00 0.00 WAT1 ATOM 4423 OH2 TIP3 815 27.731 -36.808 32.803 0.00 0.00 WAT1 ATOM 4424 H1 TIP3 815 27.656 -36.929 31.857 0.00 0.00 WAT1 ATOM 4425 H2 TIP3 815 27.764 -35.858 32.922 0.00 0.00 WAT1 ATOM 4426 OH2 TIP3 816 30.833 -37.654 29.806 0.00 0.00 WAT1 ATOM 4427 H1 TIP3 816 31.208 -38.398 29.335 0.00 0.00 WAT1 ATOM 4428 H2 TIP3 816 30.837 -37.924 30.724 0.00 0.00 WAT1 ATOM 4429 OH2 TIP3 817 23.346 -48.620 34.601 0.00 0.00 WAT1 ATOM 4430 H1 TIP3 817 22.453 -48.961 34.542 0.00 0.00 WAT1 ATOM 4431 H2 TIP3 817 23.797 -48.997 33.845 0.00 0.00 WAT1 ATOM 4432 OH2 TIP3 818 21.099 -48.521 41.556 0.00 0.00 WAT1 ATOM 4433 H1 TIP3 818 21.061 -48.121 42.424 0.00 0.00 WAT1 ATOM 4434 H2 TIP3 818 20.608 -49.338 41.646 0.00 0.00 WAT1 ATOM 4435 OH2 TIP3 819 17.707 -51.405 35.406 0.00 0.00 WAT1 ATOM 4436 H1 TIP3 819 18.338 -51.434 36.126 0.00 0.00 WAT1 ATOM 4437 H2 TIP3 819 18.157 -51.830 34.676 0.00 0.00 WAT1 ATOM 4438 OH2 TIP3 820 20.756 -49.564 34.514 0.00 0.00 WAT1 ATOM 4439 H1 TIP3 820 19.867 -49.464 34.174 0.00 0.00 WAT1 ATOM 4440 H2 TIP3 820 21.052 -50.406 34.168 0.00 0.00 WAT1 ATOM 4441 OH2 TIP3 821 23.083 -48.369 29.737 0.00 0.00 WAT1 ATOM 4442 H1 TIP3 821 22.541 -48.749 29.046 0.00 0.00 WAT1 ATOM 4443 H2 TIP3 821 23.917 -48.175 29.308 0.00 0.00 WAT1 ATOM 4444 OH2 TIP3 822 21.218 -43.812 44.836 0.00 0.00 WAT1 ATOM 4445 H1 TIP3 822 21.951 -43.558 45.397 0.00 0.00 WAT1 ATOM 4446 H2 TIP3 822 20.438 -43.608 45.351 0.00 0.00 WAT1 ATOM 4447 OH2 TIP3 823 26.418 -43.804 31.673 0.00 0.00 WAT1 ATOM 4448 H1 TIP3 823 25.674 -44.311 31.350 0.00 0.00 WAT1 ATOM 4449 H2 TIP3 823 26.284 -43.755 32.619 0.00 0.00 WAT1 ATOM 4450 OH2 TIP3 824 21.543 -44.509 37.442 0.00 0.00 WAT1 ATOM 4451 H1 TIP3 824 22.288 -44.511 36.841 0.00 0.00 WAT1 ATOM 4452 H2 TIP3 824 21.621 -45.333 37.924 0.00 0.00 WAT1 ATOM 4453 OH2 TIP3 825 28.544 -42.345 30.698 0.00 0.00 WAT1 ATOM 4454 H1 TIP3 825 28.249 -41.519 31.080 0.00 0.00 WAT1 ATOM 4455 H2 TIP3 825 27.841 -42.965 30.894 0.00 0.00 WAT1 ATOM 4456 OH2 TIP3 826 18.551 -46.048 42.757 0.00 0.00 WAT1 ATOM 4457 H1 TIP3 826 18.774 -46.466 43.589 0.00 0.00 WAT1 ATOM 4458 H2 TIP3 826 17.949 -46.661 42.335 0.00 0.00 WAT1 ATOM 4459 OH2 TIP3 827 19.673 -46.129 29.434 0.00 0.00 WAT1 ATOM 4460 H1 TIP3 827 20.289 -45.502 29.813 0.00 0.00 WAT1 ATOM 4461 H2 TIP3 827 18.811 -45.813 29.705 0.00 0.00 WAT1 ATOM 4462 OH2 TIP3 828 25.345 -43.328 34.423 0.00 0.00 WAT1 ATOM 4463 H1 TIP3 828 25.104 -42.403 34.465 0.00 0.00 WAT1 ATOM 4464 H2 TIP3 828 24.605 -43.787 34.819 0.00 0.00 WAT1 ATOM 4465 OH2 TIP3 829 25.860 -39.179 40.738 0.00 0.00 WAT1 ATOM 4466 H1 TIP3 829 26.223 -38.324 40.505 0.00 0.00 WAT1 ATOM 4467 H2 TIP3 829 26.392 -39.471 41.479 0.00 0.00 WAT1 ATOM 4468 OH2 TIP3 830 27.373 -39.771 31.165 0.00 0.00 WAT1 ATOM 4469 H1 TIP3 830 26.556 -39.274 31.218 0.00 0.00 WAT1 ATOM 4470 H2 TIP3 830 27.902 -39.296 30.525 0.00 0.00 WAT1 ATOM 4471 OH2 TIP3 831 20.020 -48.938 28.939 0.00 0.00 WAT1 ATOM 4472 H1 TIP3 831 19.975 -47.999 29.118 0.00 0.00 WAT1 ATOM 4473 H2 TIP3 831 19.132 -49.174 28.669 0.00 0.00 WAT1 ATOM 4474 OH2 TIP3 832 23.644 -38.684 46.723 0.00 0.00 WAT1 ATOM 4475 H1 TIP3 832 24.412 -39.143 47.064 0.00 0.00 WAT1 ATOM 4476 H2 TIP3 832 23.623 -38.910 45.793 0.00 0.00 WAT1 ATOM 4477 OH2 TIP3 833 27.736 -39.176 28.098 0.00 0.00 WAT1 ATOM 4478 H1 TIP3 833 27.092 -39.807 28.420 0.00 0.00 WAT1 ATOM 4479 H2 TIP3 833 28.498 -39.707 27.866 0.00 0.00 WAT1 ATOM 4480 OH2 TIP3 834 18.954 -43.793 46.057 0.00 0.00 WAT1 ATOM 4481 H1 TIP3 834 19.098 -44.695 45.771 0.00 0.00 WAT1 ATOM 4482 H2 TIP3 834 18.181 -43.507 45.569 0.00 0.00 WAT1 ATOM 4483 OH2 TIP3 835 28.647 -42.402 27.925 0.00 0.00 WAT1 ATOM 4484 H1 TIP3 835 28.379 -42.222 28.826 0.00 0.00 WAT1 ATOM 4485 H2 TIP3 835 28.441 -43.328 27.794 0.00 0.00 WAT1 ATOM 4486 OH2 TIP3 836 24.444 -45.477 30.495 0.00 0.00 WAT1 ATOM 4487 H1 TIP3 836 23.985 -45.961 31.181 0.00 0.00 WAT1 ATOM 4488 H2 TIP3 836 24.699 -46.145 29.859 0.00 0.00 WAT1 ATOM 4489 OH2 TIP3 837 25.515 -47.234 28.758 0.00 0.00 WAT1 ATOM 4490 H1 TIP3 837 25.335 -47.388 27.830 0.00 0.00 WAT1 ATOM 4491 H2 TIP3 837 26.466 -47.126 28.802 0.00 0.00 WAT1 ATOM 4492 OH2 TIP3 838 25.413 -36.543 29.759 0.00 0.00 WAT1 ATOM 4493 H1 TIP3 838 26.346 -36.385 29.903 0.00 0.00 WAT1 ATOM 4494 H2 TIP3 838 25.149 -35.868 29.134 0.00 0.00 WAT1 ATOM 4495 OH2 TIP3 839 17.703 -48.776 38.676 0.00 0.00 WAT1 ATOM 4496 H1 TIP3 839 18.195 -48.997 37.886 0.00 0.00 WAT1 ATOM 4497 H2 TIP3 839 18.065 -47.935 38.957 0.00 0.00 WAT1 ATOM 4498 OH2 TIP3 840 20.172 -40.605 45.219 0.00 0.00 WAT1 ATOM 4499 H1 TIP3 840 19.351 -40.430 44.759 0.00 0.00 WAT1 ATOM 4500 H2 TIP3 840 19.920 -40.678 46.140 0.00 0.00 WAT1 ATOM 4501 OH2 TIP3 841 27.437 -38.231 44.437 0.00 0.00 WAT1 ATOM 4502 H1 TIP3 841 27.622 -38.565 45.315 0.00 0.00 WAT1 ATOM 4503 H2 TIP3 841 28.284 -37.922 44.115 0.00 0.00 WAT1 ATOM 4504 OH2 TIP3 842 27.706 -36.886 39.731 0.00 0.00 WAT1 ATOM 4505 H1 TIP3 842 27.249 -36.357 39.077 0.00 0.00 WAT1 ATOM 4506 H2 TIP3 842 27.869 -36.283 40.456 0.00 0.00 WAT1 ATOM 4507 OH2 TIP3 843 24.621 -38.571 37.939 0.00 0.00 WAT1 ATOM 4508 H1 TIP3 843 24.834 -39.459 37.652 0.00 0.00 WAT1 ATOM 4509 H2 TIP3 843 24.686 -38.605 38.894 0.00 0.00 WAT1 ATOM 4510 OH2 TIP3 844 28.058 -37.317 30.004 0.00 0.00 WAT1 ATOM 4511 H1 TIP3 844 28.924 -36.951 29.826 0.00 0.00 WAT1 ATOM 4512 H2 TIP3 844 27.811 -37.757 29.191 0.00 0.00 WAT1 ATOM 4513 OH2 TIP3 845 21.704 -41.602 48.679 0.00 0.00 WAT1 ATOM 4514 H1 TIP3 845 22.296 -40.903 48.955 0.00 0.00 WAT1 ATOM 4515 H2 TIP3 845 22.163 -42.035 47.960 0.00 0.00 WAT1 ATOM 4516 OH2 TIP3 846 23.295 -43.449 47.045 0.00 0.00 WAT1 ATOM 4517 H1 TIP3 846 23.359 -44.243 47.576 0.00 0.00 WAT1 ATOM 4518 H2 TIP3 846 23.948 -43.568 46.356 0.00 0.00 WAT1 ATOM 4519 OH2 TIP3 847 18.981 -41.907 48.098 0.00 0.00 WAT1 ATOM 4520 H1 TIP3 847 19.895 -41.828 48.371 0.00 0.00 WAT1 ATOM 4521 H2 TIP3 847 18.988 -42.594 47.431 0.00 0.00 WAT1 ATOM 4522 OH2 TIP3 848 19.194 -38.527 50.463 0.00 0.00 WAT1 ATOM 4523 H1 TIP3 848 18.509 -38.565 49.795 0.00 0.00 WAT1 ATOM 4524 H2 TIP3 848 19.197 -37.614 50.751 0.00 0.00 WAT1 ATOM 4525 OH2 TIP3 849 21.012 -37.607 47.488 0.00 0.00 WAT1 ATOM 4526 H1 TIP3 849 20.744 -37.320 48.361 0.00 0.00 WAT1 ATOM 4527 H2 TIP3 849 21.783 -38.153 47.640 0.00 0.00 WAT1 ATOM 4528 OH2 TIP3 850 21.474 -26.811 5.018 0.00 0.00 WAT1 ATOM 4529 H1 TIP3 850 21.544 -26.160 5.716 0.00 0.00 WAT1 ATOM 4530 H2 TIP3 850 20.583 -26.708 4.683 0.00 0.00 WAT1 ATOM 4531 OH2 TIP3 851 22.793 -20.937 6.553 0.00 0.00 WAT1 ATOM 4532 H1 TIP3 851 22.801 -21.073 5.605 0.00 0.00 WAT1 ATOM 4533 H2 TIP3 851 21.877 -21.055 6.805 0.00 0.00 WAT1 ATOM 4534 OH2 TIP3 852 18.390 -24.744 3.843 0.00 0.00 WAT1 ATOM 4535 H1 TIP3 852 17.889 -24.772 3.028 0.00 0.00 WAT1 ATOM 4536 H2 TIP3 852 18.396 -25.650 4.153 0.00 0.00 WAT1 ATOM 4537 OH2 TIP3 853 18.141 -21.964 0.727 0.00 0.00 WAT1 ATOM 4538 H1 TIP3 853 19.087 -22.108 0.708 0.00 0.00 WAT1 ATOM 4539 H2 TIP3 853 18.028 -21.180 1.264 0.00 0.00 WAT1 ATOM 4540 OH2 TIP3 854 20.639 -23.421 4.886 0.00 0.00 WAT1 ATOM 4541 H1 TIP3 854 20.856 -23.782 5.746 0.00 0.00 WAT1 ATOM 4542 H2 TIP3 854 19.784 -23.795 4.676 0.00 0.00 WAT1 ATOM 4543 OH2 TIP3 855 21.218 -24.956 7.124 0.00 0.00 WAT1 ATOM 4544 H1 TIP3 855 21.951 -24.702 7.685 0.00 0.00 WAT1 ATOM 4545 H2 TIP3 855 20.438 -24.752 7.639 0.00 0.00 WAT1 ATOM 4546 OH2 TIP3 856 18.551 -27.192 5.045 0.00 0.00 WAT1 ATOM 4547 H1 TIP3 856 18.774 -27.610 5.877 0.00 0.00 WAT1 ATOM 4548 H2 TIP3 856 17.949 -27.805 4.623 0.00 0.00 WAT1 ATOM 4549 OH2 TIP3 857 19.836 -20.634 3.038 0.00 0.00 WAT1 ATOM 4550 H1 TIP3 857 20.053 -21.566 3.007 0.00 0.00 WAT1 ATOM 4551 H2 TIP3 857 20.083 -20.360 3.922 0.00 0.00 WAT1 ATOM 4552 OH2 TIP3 858 23.644 -19.828 9.011 0.00 0.00 WAT1 ATOM 4553 H1 TIP3 858 24.412 -20.287 9.352 0.00 0.00 WAT1 ATOM 4554 H2 TIP3 858 23.623 -20.054 8.081 0.00 0.00 WAT1 ATOM 4555 OH2 TIP3 859 18.954 -24.937 8.345 0.00 0.00 WAT1 ATOM 4556 H1 TIP3 859 19.098 -25.839 8.059 0.00 0.00 WAT1 ATOM 4557 H2 TIP3 859 18.181 -24.651 7.857 0.00 0.00 WAT1 ATOM 4558 OH2 TIP3 860 19.786 -27.737 7.765 0.00 0.00 WAT1 ATOM 4559 H1 TIP3 860 20.194 -28.594 7.644 0.00 0.00 WAT1 ATOM 4560 H2 TIP3 860 19.526 -27.722 8.686 0.00 0.00 WAT1 ATOM 4561 OH2 TIP3 861 22.551 -30.175 8.133 0.00 0.00 WAT1 ATOM 4562 H1 TIP3 861 21.784 -30.707 7.923 0.00 0.00 WAT1 ATOM 4563 H2 TIP3 861 23.230 -30.485 7.534 0.00 0.00 WAT1 ATOM 4564 OH2 TIP3 862 20.732 -32.254 7.838 0.00 0.00 WAT1 ATOM 4565 H1 TIP3 862 20.943 -32.961 7.227 0.00 0.00 WAT1 ATOM 4566 H2 TIP3 862 20.620 -32.692 8.682 0.00 0.00 WAT1 ATOM 4567 OH2 TIP3 863 18.500 -19.577 -1.588 0.00 0.00 WAT1 ATOM 4568 H1 TIP3 863 18.166 -20.458 -1.416 0.00 0.00 WAT1 ATOM 4569 H2 TIP3 863 18.722 -19.232 -0.724 0.00 0.00 WAT1 ATOM 4570 OH2 TIP3 864 18.580 -26.502 0.863 0.00 0.00 WAT1 ATOM 4571 H1 TIP3 864 18.764 -26.584 -0.072 0.00 0.00 WAT1 ATOM 4572 H2 TIP3 864 19.429 -26.626 1.287 0.00 0.00 WAT1 ATOM 4573 OH2 TIP3 865 18.178 -31.231 7.004 0.00 0.00 WAT1 ATOM 4574 H1 TIP3 865 19.097 -31.353 7.240 0.00 0.00 WAT1 ATOM 4575 H2 TIP3 865 17.728 -31.981 7.393 0.00 0.00 WAT1 ATOM 4576 OH2 TIP3 866 17.703 -29.920 0.964 0.00 0.00 WAT1 ATOM 4577 H1 TIP3 866 18.195 -30.141 0.174 0.00 0.00 WAT1 ATOM 4578 H2 TIP3 866 18.065 -29.079 1.245 0.00 0.00 WAT1 ATOM 4579 OH2 TIP3 867 20.172 -21.749 7.507 0.00 0.00 WAT1 ATOM 4580 H1 TIP3 867 19.351 -21.574 7.047 0.00 0.00 WAT1 ATOM 4581 H2 TIP3 867 19.920 -21.822 8.428 0.00 0.00 WAT1 ATOM 4582 OH2 TIP3 868 20.528 -17.518 3.813 0.00 0.00 WAT1 ATOM 4583 H1 TIP3 868 19.808 -17.078 3.362 0.00 0.00 WAT1 ATOM 4584 H2 TIP3 868 20.162 -17.769 4.662 0.00 0.00 WAT1 ATOM 4585 OH2 TIP3 869 19.943 -18.895 0.724 0.00 0.00 WAT1 ATOM 4586 H1 TIP3 869 19.924 -19.320 1.581 0.00 0.00 WAT1 ATOM 4587 H2 TIP3 869 20.748 -19.213 0.315 0.00 0.00 WAT1 ATOM 4588 OH2 TIP3 870 22.387 -35.552 8.247 0.00 0.00 WAT1 ATOM 4589 H1 TIP3 870 23.286 -35.826 8.062 0.00 0.00 WAT1 ATOM 4590 H2 TIP3 870 22.001 -36.295 8.711 0.00 0.00 WAT1 ATOM 4591 OH2 TIP3 871 29.535 -26.261 16.008 0.00 0.00 WAT1 ATOM 4592 H1 TIP3 871 29.624 -25.317 15.876 0.00 0.00 WAT1 ATOM 4593 H2 TIP3 871 28.896 -26.536 15.350 0.00 0.00 WAT1 ATOM 4594 OH2 TIP3 872 28.468 -27.006 19.427 0.00 0.00 WAT1 ATOM 4595 H1 TIP3 872 28.430 -27.652 20.132 0.00 0.00 WAT1 ATOM 4596 H2 TIP3 872 28.145 -27.472 18.656 0.00 0.00 WAT1 ATOM 4597 OH2 TIP3 873 32.174 -24.067 17.729 0.00 0.00 WAT1 ATOM 4598 H1 TIP3 873 31.733 -24.787 18.179 0.00 0.00 WAT1 ATOM 4599 H2 TIP3 873 32.161 -23.346 18.359 0.00 0.00 WAT1 ATOM 4600 OH2 TIP3 874 29.285 -18.962 17.941 0.00 0.00 WAT1 ATOM 4601 H1 TIP3 874 29.905 -19.639 17.668 0.00 0.00 WAT1 ATOM 4602 H2 TIP3 874 29.077 -19.180 18.849 0.00 0.00 WAT1 ATOM 4603 OH2 TIP3 875 26.857 -24.573 19.833 0.00 0.00 WAT1 ATOM 4604 H1 TIP3 875 27.161 -25.259 19.239 0.00 0.00 WAT1 ATOM 4605 H2 TIP3 875 27.579 -24.455 20.451 0.00 0.00 WAT1 ATOM 4606 OH2 TIP3 876 23.153 -32.078 17.433 0.00 0.00 WAT1 ATOM 4607 H1 TIP3 876 23.196 -31.218 17.015 0.00 0.00 WAT1 ATOM 4608 H2 TIP3 876 22.695 -32.630 16.800 0.00 0.00 WAT1 ATOM 4609 OH2 TIP3 877 24.929 -28.131 17.411 0.00 0.00 WAT1 ATOM 4610 H1 TIP3 877 25.545 -28.657 17.920 0.00 0.00 WAT1 ATOM 4611 H2 TIP3 877 24.343 -28.771 17.007 0.00 0.00 WAT1 ATOM 4612 OH2 TIP3 878 29.332 -23.660 15.051 0.00 0.00 WAT1 ATOM 4613 H1 TIP3 878 29.036 -23.982 14.200 0.00 0.00 WAT1 ATOM 4614 H2 TIP3 878 29.008 -22.760 15.093 0.00 0.00 WAT1 ATOM 4615 OH2 TIP3 879 32.686 -22.227 20.077 0.00 0.00 WAT1 ATOM 4616 H1 TIP3 879 31.744 -22.169 20.238 0.00 0.00 WAT1 ATOM 4617 H2 TIP3 879 32.962 -21.321 19.940 0.00 0.00 WAT1 ATOM 4618 OH2 TIP3 880 30.938 -20.446 16.702 0.00 0.00 WAT1 ATOM 4619 H1 TIP3 880 31.363 -21.153 16.217 0.00 0.00 WAT1 ATOM 4620 H2 TIP3 880 31.255 -19.645 16.285 0.00 0.00 WAT1 ATOM 4621 OH2 TIP3 881 23.307 -26.177 16.295 0.00 0.00 WAT1 ATOM 4622 H1 TIP3 881 22.977 -26.547 15.476 0.00 0.00 WAT1 ATOM 4623 H2 TIP3 881 23.895 -26.847 16.641 0.00 0.00 WAT1 ATOM 4624 OH2 TIP3 882 29.983 -21.905 20.662 0.00 0.00 WAT1 ATOM 4625 H1 TIP3 882 29.742 -21.243 21.310 0.00 0.00 WAT1 ATOM 4626 H2 TIP3 882 29.785 -22.739 21.087 0.00 0.00 WAT1 ATOM 4627 OH2 TIP3 883 24.554 -23.009 24.645 0.00 0.00 WAT1 ATOM 4628 H1 TIP3 883 24.242 -22.227 25.101 0.00 0.00 WAT1 ATOM 4629 H2 TIP3 883 23.904 -23.162 23.959 0.00 0.00 WAT1 ATOM 4630 OH2 TIP3 884 28.259 -20.908 15.532 0.00 0.00 WAT1 ATOM 4631 H1 TIP3 884 28.733 -20.613 16.310 0.00 0.00 WAT1 ATOM 4632 H2 TIP3 884 27.696 -20.170 15.299 0.00 0.00 WAT1 ATOM 4633 OH2 TIP3 885 27.317 -21.724 24.141 0.00 0.00 WAT1 ATOM 4634 H1 TIP3 885 27.404 -20.898 24.616 0.00 0.00 WAT1 ATOM 4635 H2 TIP3 885 26.453 -22.054 24.390 0.00 0.00 WAT1 ATOM 4636 OH2 TIP3 886 27.731 -17.952 13.947 0.00 0.00 WAT1 ATOM 4637 H1 TIP3 886 27.656 -18.073 13.001 0.00 0.00 WAT1 ATOM 4638 H2 TIP3 886 27.764 -17.002 14.066 0.00 0.00 WAT1 ATOM 4639 OH2 TIP3 887 30.502 -18.872 13.699 0.00 0.00 WAT1 ATOM 4640 H1 TIP3 887 29.567 -18.772 13.878 0.00 0.00 WAT1 ATOM 4641 H2 TIP3 887 30.782 -19.581 14.277 0.00 0.00 WAT1 ATOM 4642 OH2 TIP3 888 27.921 -35.229 23.112 0.00 0.00 WAT1 ATOM 4643 H1 TIP3 888 28.341 -35.644 23.865 0.00 0.00 WAT1 ATOM 4644 H2 TIP3 888 26.988 -35.407 23.229 0.00 0.00 WAT1 ATOM 4645 OH2 TIP3 889 23.346 -29.764 15.745 0.00 0.00 WAT1 ATOM 4646 H1 TIP3 889 22.453 -30.105 15.686 0.00 0.00 WAT1 ATOM 4647 H2 TIP3 889 23.797 -30.141 14.989 0.00 0.00 WAT1 ATOM 4648 OH2 TIP3 890 27.984 -29.173 26.050 0.00 0.00 WAT1 ATOM 4649 H1 TIP3 890 27.421 -29.877 26.370 0.00 0.00 WAT1 ATOM 4650 H2 TIP3 890 28.810 -29.293 26.517 0.00 0.00 WAT1 ATOM 4651 OH2 TIP3 891 18.982 -31.803 11.974 0.00 0.00 WAT1 ATOM 4652 H1 TIP3 891 19.456 -31.212 11.389 0.00 0.00 WAT1 ATOM 4653 H2 TIP3 891 18.264 -31.272 12.321 0.00 0.00 WAT1 ATOM 4654 OH2 TIP3 892 25.928 -32.337 16.831 0.00 0.00 WAT1 ATOM 4655 H1 TIP3 892 25.017 -32.280 17.120 0.00 0.00 WAT1 ATOM 4656 H2 TIP3 892 26.433 -32.397 17.642 0.00 0.00 WAT1 ATOM 4657 OH2 TIP3 893 24.409 -30.708 13.314 0.00 0.00 WAT1 ATOM 4658 H1 TIP3 893 25.341 -30.579 13.492 0.00 0.00 WAT1 ATOM 4659 H2 TIP3 893 24.194 -30.038 12.665 0.00 0.00 WAT1 ATOM 4660 OH2 TIP3 894 23.083 -29.513 10.881 0.00 0.00 WAT1 ATOM 4661 H1 TIP3 894 22.541 -29.893 10.190 0.00 0.00 WAT1 ATOM 4662 H2 TIP3 894 23.917 -29.319 10.452 0.00 0.00 WAT1 ATOM 4663 OH2 TIP3 895 27.248 -29.549 18.718 0.00 0.00 WAT1 ATOM 4664 H1 TIP3 895 27.812 -30.096 18.171 0.00 0.00 WAT1 ATOM 4665 H2 TIP3 895 27.100 -30.071 19.507 0.00 0.00 WAT1 ATOM 4666 OH2 TIP3 896 22.250 -33.413 15.136 0.00 0.00 WAT1 ATOM 4667 H1 TIP3 896 21.933 -34.315 15.101 0.00 0.00 WAT1 ATOM 4668 H2 TIP3 896 23.031 -33.411 14.584 0.00 0.00 WAT1 ATOM 4669 OH2 TIP3 897 25.874 -31.161 21.132 0.00 0.00 WAT1 ATOM 4670 H1 TIP3 897 25.039 -30.707 21.242 0.00 0.00 WAT1 ATOM 4671 H2 TIP3 897 26.398 -30.885 21.884 0.00 0.00 WAT1 ATOM 4672 OH2 TIP3 898 26.418 -24.948 12.817 0.00 0.00 WAT1 ATOM 4673 H1 TIP3 898 25.674 -25.455 12.494 0.00 0.00 WAT1 ATOM 4674 H2 TIP3 898 26.284 -24.899 13.763 0.00 0.00 WAT1 ATOM 4675 OH2 TIP3 899 27.938 -24.764 24.054 0.00 0.00 WAT1 ATOM 4676 H1 TIP3 899 27.592 -25.145 24.860 0.00 0.00 WAT1 ATOM 4677 H2 TIP3 899 27.738 -23.830 24.125 0.00 0.00 WAT1 ATOM 4678 OH2 TIP3 900 25.568 -27.675 26.114 0.00 0.00 WAT1 ATOM 4679 H1 TIP3 900 25.272 -27.841 25.219 0.00 0.00 WAT1 ATOM 4680 H2 TIP3 900 26.499 -27.895 26.104 0.00 0.00 WAT1 ATOM 4681 OH2 TIP3 901 30.188 -22.302 24.004 0.00 0.00 WAT1 ATOM 4682 H1 TIP3 901 29.287 -22.119 23.736 0.00 0.00 WAT1 ATOM 4683 H2 TIP3 901 30.222 -22.043 24.925 0.00 0.00 WAT1 ATOM 4684 OH2 TIP3 902 25.345 -24.472 15.567 0.00 0.00 WAT1 ATOM 4685 H1 TIP3 902 25.104 -23.547 15.609 0.00 0.00 WAT1 ATOM 4686 H2 TIP3 902 24.605 -24.931 15.963 0.00 0.00 WAT1 ATOM 4687 OH2 TIP3 903 29.404 -24.224 21.583 0.00 0.00 WAT1 ATOM 4688 H1 TIP3 903 28.978 -24.451 22.409 0.00 0.00 WAT1 ATOM 4689 H2 TIP3 903 29.985 -24.962 21.400 0.00 0.00 WAT1 ATOM 4690 OH2 TIP3 904 25.698 -22.183 9.104 0.00 0.00 WAT1 ATOM 4691 H1 TIP3 904 25.937 -22.931 8.556 0.00 0.00 WAT1 ATOM 4692 H2 TIP3 904 25.429 -22.571 9.936 0.00 0.00 WAT1 ATOM 4693 OH2 TIP3 905 24.635 -22.613 11.560 0.00 0.00 WAT1 ATOM 4694 H1 TIP3 905 24.782 -23.133 12.350 0.00 0.00 WAT1 ATOM 4695 H2 TIP3 905 24.632 -21.706 11.866 0.00 0.00 WAT1 ATOM 4696 OH2 TIP3 906 28.920 -32.698 22.349 0.00 0.00 WAT1 ATOM 4697 H1 TIP3 906 29.618 -32.624 22.999 0.00 0.00 WAT1 ATOM 4698 H2 TIP3 906 28.539 -33.562 22.504 0.00 0.00 WAT1 ATOM 4699 OH2 TIP3 907 27.373 -20.915 12.309 0.00 0.00 WAT1 ATOM 4700 H1 TIP3 907 26.556 -20.418 12.362 0.00 0.00 WAT1 ATOM 4701 H2 TIP3 907 27.902 -20.440 11.669 0.00 0.00 WAT1 ATOM 4702 OH2 TIP3 908 27.440 -30.332 23.466 0.00 0.00 WAT1 ATOM 4703 H1 TIP3 908 27.559 -29.758 24.223 0.00 0.00 WAT1 ATOM 4704 H2 TIP3 908 28.095 -31.020 23.581 0.00 0.00 WAT1 ATOM 4705 OH2 TIP3 909 27.788 -34.237 15.219 0.00 0.00 WAT1 ATOM 4706 H1 TIP3 909 27.441 -33.619 15.864 0.00 0.00 WAT1 ATOM 4707 H2 TIP3 909 28.446 -33.736 14.738 0.00 0.00 WAT1 ATOM 4708 OH2 TIP3 910 23.445 -33.174 11.907 0.00 0.00 WAT1 ATOM 4709 H1 TIP3 910 23.362 -32.285 12.253 0.00 0.00 WAT1 ATOM 4710 H2 TIP3 910 24.335 -33.439 12.138 0.00 0.00 WAT1 ATOM 4711 OH2 TIP3 911 20.020 -30.082 10.083 0.00 0.00 WAT1 ATOM 4712 H1 TIP3 911 19.975 -29.143 10.262 0.00 0.00 WAT1 ATOM 4713 H2 TIP3 911 19.132 -30.318 9.813 0.00 0.00 WAT1 ATOM 4714 OH2 TIP3 912 23.644 -19.828 27.867 0.00 0.00 WAT1 ATOM 4715 H1 TIP3 912 24.412 -20.287 28.208 0.00 0.00 WAT1 ATOM 4716 H2 TIP3 912 23.623 -20.054 26.937 0.00 0.00 WAT1 ATOM 4717 OH2 TIP3 913 27.736 -20.320 9.242 0.00 0.00 WAT1 ATOM 4718 H1 TIP3 913 27.092 -20.951 9.564 0.00 0.00 WAT1 ATOM 4719 H2 TIP3 913 28.498 -20.851 9.010 0.00 0.00 WAT1 ATOM 4720 OH2 TIP3 914 23.295 -24.593 9.333 0.00 0.00 WAT1 ATOM 4721 H1 TIP3 914 23.359 -25.387 9.864 0.00 0.00 WAT1 ATOM 4722 H2 TIP3 914 23.948 -24.712 8.644 0.00 0.00 WAT1 ATOM 4723 OH2 TIP3 915 25.609 -24.967 26.634 0.00 0.00 WAT1 ATOM 4724 H1 TIP3 915 25.281 -24.696 25.776 0.00 0.00 WAT1 ATOM 4725 H2 TIP3 915 25.761 -25.908 26.546 0.00 0.00 WAT1 ATOM 4726 OH2 TIP3 916 24.444 -26.621 11.639 0.00 0.00 WAT1 ATOM 4727 H1 TIP3 916 23.985 -27.105 12.325 0.00 0.00 WAT1 ATOM 4728 H2 TIP3 916 24.699 -27.289 11.003 0.00 0.00 WAT1 ATOM 4729 OH2 TIP3 917 25.515 -28.378 9.902 0.00 0.00 WAT1 ATOM 4730 H1 TIP3 917 25.335 -28.532 8.974 0.00 0.00 WAT1 ATOM 4731 H2 TIP3 917 26.466 -28.270 9.946 0.00 0.00 WAT1 ATOM 4732 OH2 TIP3 918 26.067 -27.564 22.810 0.00 0.00 WAT1 ATOM 4733 H1 TIP3 918 26.818 -27.720 22.237 0.00 0.00 WAT1 ATOM 4734 H2 TIP3 918 25.728 -26.712 22.534 0.00 0.00 WAT1 ATOM 4735 OH2 TIP3 919 26.555 -31.225 26.565 0.00 0.00 WAT1 ATOM 4736 H1 TIP3 919 26.319 -31.445 27.467 0.00 0.00 WAT1 ATOM 4737 H2 TIP3 919 25.772 -31.432 26.056 0.00 0.00 WAT1 ATOM 4738 OH2 TIP3 920 29.271 -32.098 25.641 0.00 0.00 WAT1 ATOM 4739 H1 TIP3 920 28.323 -32.066 25.773 0.00 0.00 WAT1 ATOM 4740 H2 TIP3 920 29.583 -32.723 26.295 0.00 0.00 WAT1 ATOM 4741 OH2 TIP3 921 25.866 -34.570 27.727 0.00 0.00 WAT1 ATOM 4742 H1 TIP3 921 25.735 -35.046 26.906 0.00 0.00 WAT1 ATOM 4743 H2 TIP3 921 25.267 -33.826 27.671 0.00 0.00 WAT1 ATOM 4744 OH2 TIP3 922 25.413 -17.687 10.903 0.00 0.00 WAT1 ATOM 4745 H1 TIP3 922 26.346 -17.529 11.047 0.00 0.00 WAT1 ATOM 4746 H2 TIP3 922 25.149 -17.012 10.278 0.00 0.00 WAT1 ATOM 4747 OH2 TIP3 923 27.437 -19.375 25.581 0.00 0.00 WAT1 ATOM 4748 H1 TIP3 923 27.622 -19.709 26.459 0.00 0.00 WAT1 ATOM 4749 H2 TIP3 923 28.284 -19.066 25.259 0.00 0.00 WAT1 ATOM 4750 OH2 TIP3 924 29.782 -18.090 24.825 0.00 0.00 WAT1 ATOM 4751 H1 TIP3 924 30.459 -18.722 24.585 0.00 0.00 WAT1 ATOM 4752 H2 TIP3 924 30.104 -17.688 25.633 0.00 0.00 WAT1 ATOM 4753 OH2 TIP3 925 27.706 -18.030 20.875 0.00 0.00 WAT1 ATOM 4754 H1 TIP3 925 27.249 -17.501 20.221 0.00 0.00 WAT1 ATOM 4755 H2 TIP3 925 27.869 -17.427 21.600 0.00 0.00 WAT1 ATOM 4756 OH2 TIP3 926 30.033 -19.152 21.820 0.00 0.00 WAT1 ATOM 4757 H1 TIP3 926 29.129 -18.987 21.554 0.00 0.00 WAT1 ATOM 4758 H2 TIP3 926 30.462 -18.299 21.754 0.00 0.00 WAT1 ATOM 4759 OH2 TIP3 927 28.130 -34.051 18.228 0.00 0.00 WAT1 ATOM 4760 H1 TIP3 927 27.455 -34.680 18.483 0.00 0.00 WAT1 ATOM 4761 H2 TIP3 927 28.694 -34.535 17.625 0.00 0.00 WAT1 ATOM 4762 OH2 TIP3 928 25.036 -35.490 15.863 0.00 0.00 WAT1 ATOM 4763 H1 TIP3 928 25.910 -35.102 15.833 0.00 0.00 WAT1 ATOM 4764 H2 TIP3 928 24.900 -35.705 16.786 0.00 0.00 WAT1 ATOM 4765 OH2 TIP3 929 30.593 -35.460 17.512 0.00 0.00 WAT1 ATOM 4766 H1 TIP3 929 30.669 -35.365 16.563 0.00 0.00 WAT1 ATOM 4767 H2 TIP3 929 30.317 -36.368 17.641 0.00 0.00 WAT1 ATOM 4768 OH2 TIP3 930 21.154 -33.703 10.296 0.00 0.00 WAT1 ATOM 4769 H1 TIP3 930 21.645 -34.333 9.768 0.00 0.00 WAT1 ATOM 4770 H2 TIP3 930 21.777 -33.407 10.959 0.00 0.00 WAT1 ATOM 4771 OH2 TIP3 931 26.180 -33.410 12.753 0.00 0.00 WAT1 ATOM 4772 H1 TIP3 931 26.358 -34.056 13.436 0.00 0.00 WAT1 ATOM 4773 H2 TIP3 931 26.126 -32.576 13.220 0.00 0.00 WAT1 ATOM 4774 OH2 TIP3 932 28.058 -18.461 11.148 0.00 0.00 WAT1 ATOM 4775 H1 TIP3 932 28.924 -18.095 10.970 0.00 0.00 WAT1 ATOM 4776 H2 TIP3 932 27.811 -18.901 10.335 0.00 0.00 WAT1 ATOM 4777 OH2 TIP3 933 21.012 -18.751 9.776 0.00 0.00 WAT1 ATOM 4778 H1 TIP3 933 20.744 -18.464 10.649 0.00 0.00 WAT1 ATOM 4779 H2 TIP3 933 21.783 -19.297 9.928 0.00 0.00 WAT1 ATOM 4780 OH2 TIP3 934 30.809 -36.220 27.285 0.00 0.00 WAT1 ATOM 4781 H1 TIP3 934 30.885 -36.646 28.139 0.00 0.00 WAT1 ATOM 4782 H2 TIP3 934 31.702 -36.206 26.943 0.00 0.00 WAT1 ATOM 4783 OH2 TIP3 935 20.836 -27.391 39.876 0.00 0.00 WAT1 ATOM 4784 H1 TIP3 935 20.878 -28.017 40.600 0.00 0.00 WAT1 ATOM 4785 H2 TIP3 935 21.539 -26.768 40.058 0.00 0.00 WAT1 ATOM 4786 OH2 TIP3 936 19.080 -27.119 35.930 0.00 0.00 WAT1 ATOM 4787 H1 TIP3 936 19.294 -27.889 36.457 0.00 0.00 WAT1 ATOM 4788 H2 TIP3 936 19.818 -27.030 35.327 0.00 0.00 WAT1 ATOM 4789 OH2 TIP3 937 23.153 -32.078 36.289 0.00 0.00 WAT1 ATOM 4790 H1 TIP3 937 23.196 -31.218 35.871 0.00 0.00 WAT1 ATOM 4791 H2 TIP3 937 22.695 -32.630 35.656 0.00 0.00 WAT1 ATOM 4792 OH2 TIP3 938 19.773 -29.681 37.051 0.00 0.00 WAT1 ATOM 4793 H1 TIP3 938 20.427 -30.231 37.483 0.00 0.00 WAT1 ATOM 4794 H2 TIP3 938 19.797 -29.955 36.135 0.00 0.00 WAT1 ATOM 4795 OH2 TIP3 939 24.929 -28.131 36.267 0.00 0.00 WAT1 ATOM 4796 H1 TIP3 939 25.545 -28.657 36.776 0.00 0.00 WAT1 ATOM 4797 H2 TIP3 939 24.343 -28.771 35.863 0.00 0.00 WAT1 ATOM 4798 OH2 TIP3 940 24.532 -25.484 40.651 0.00 0.00 WAT1 ATOM 4799 H1 TIP3 940 23.792 -24.886 40.754 0.00 0.00 WAT1 ATOM 4800 H2 TIP3 940 25.246 -24.930 40.335 0.00 0.00 WAT1 ATOM 4801 OH2 TIP3 941 21.557 -31.268 38.316 0.00 0.00 WAT1 ATOM 4802 H1 TIP3 941 22.170 -30.635 38.689 0.00 0.00 WAT1 ATOM 4803 H2 TIP3 941 22.069 -31.740 37.659 0.00 0.00 WAT1 ATOM 4804 OH2 TIP3 942 22.940 -23.520 41.438 0.00 0.00 WAT1 ATOM 4805 H1 TIP3 942 22.934 -22.641 41.060 0.00 0.00 WAT1 ATOM 4806 H2 TIP3 942 22.086 -23.603 41.863 0.00 0.00 WAT1 ATOM 4807 OH2 TIP3 943 19.061 -23.849 32.220 0.00 0.00 WAT1 ATOM 4808 H1 TIP3 943 18.789 -23.620 31.331 0.00 0.00 WAT1 ATOM 4809 H2 TIP3 943 19.106 -23.011 32.680 0.00 0.00 WAT1 ATOM 4810 OH2 TIP3 944 25.989 -35.854 37.816 0.00 0.00 WAT1 ATOM 4811 H1 TIP3 944 25.872 -36.803 37.762 0.00 0.00 WAT1 ATOM 4812 H2 TIP3 944 25.134 -35.522 38.089 0.00 0.00 WAT1 ATOM 4813 OH2 TIP3 945 28.256 -27.017 32.316 0.00 0.00 WAT1 ATOM 4814 H1 TIP3 945 27.544 -26.482 31.965 0.00 0.00 WAT1 ATOM 4815 H2 TIP3 945 28.947 -26.961 31.656 0.00 0.00 WAT1 ATOM 4816 OH2 TIP3 946 28.310 -28.559 29.355 0.00 0.00 WAT1 ATOM 4817 H1 TIP3 946 29.011 -28.537 30.006 0.00 0.00 WAT1 ATOM 4818 H2 TIP3 946 28.612 -29.187 28.699 0.00 0.00 WAT1 ATOM 4819 OH2 TIP3 947 23.307 -26.177 35.151 0.00 0.00 WAT1 ATOM 4820 H1 TIP3 947 22.977 -26.547 34.332 0.00 0.00 WAT1 ATOM 4821 H2 TIP3 947 23.895 -26.847 35.497 0.00 0.00 WAT1 ATOM 4822 OH2 TIP3 948 23.674 -27.408 38.784 0.00 0.00 WAT1 ATOM 4823 H1 TIP3 948 24.239 -27.287 38.021 0.00 0.00 WAT1 ATOM 4824 H2 TIP3 948 23.993 -26.771 39.423 0.00 0.00 WAT1 ATOM 4825 OH2 TIP3 949 21.474 -26.811 42.730 0.00 0.00 WAT1 ATOM 4826 H1 TIP3 949 21.544 -26.160 43.428 0.00 0.00 WAT1 ATOM 4827 H2 TIP3 949 20.583 -26.708 42.395 0.00 0.00 WAT1 ATOM 4828 OH2 TIP3 950 22.297 -27.107 32.740 0.00 0.00 WAT1 ATOM 4829 H1 TIP3 950 22.005 -26.339 32.249 0.00 0.00 WAT1 ATOM 4830 H2 TIP3 950 21.623 -27.767 32.577 0.00 0.00 WAT1 ATOM 4831 OH2 TIP3 951 18.390 -24.744 41.555 0.00 0.00 WAT1 ATOM 4832 H1 TIP3 951 17.889 -24.772 40.740 0.00 0.00 WAT1 ATOM 4833 H2 TIP3 951 18.396 -25.650 41.865 0.00 0.00 WAT1 ATOM 4834 OH2 TIP3 952 18.141 -21.964 38.439 0.00 0.00 WAT1 ATOM 4835 H1 TIP3 952 19.087 -22.108 38.420 0.00 0.00 WAT1 ATOM 4836 H2 TIP3 952 18.028 -21.180 38.976 0.00 0.00 WAT1 ATOM 4837 OH2 TIP3 953 21.385 -19.163 34.584 0.00 0.00 WAT1 ATOM 4838 H1 TIP3 953 21.537 -19.511 35.463 0.00 0.00 WAT1 ATOM 4839 H2 TIP3 953 20.534 -19.519 34.329 0.00 0.00 WAT1 ATOM 4840 OH2 TIP3 954 20.639 -23.421 42.598 0.00 0.00 WAT1 ATOM 4841 H1 TIP3 954 20.856 -23.782 43.458 0.00 0.00 WAT1 ATOM 4842 H2 TIP3 954 19.784 -23.795 42.388 0.00 0.00 WAT1 ATOM 4843 OH2 TIP3 955 27.921 -35.229 41.968 0.00 0.00 WAT1 ATOM 4844 H1 TIP3 955 28.341 -35.644 42.721 0.00 0.00 WAT1 ATOM 4845 H2 TIP3 955 26.988 -35.407 42.085 0.00 0.00 WAT1 ATOM 4846 OH2 TIP3 956 27.583 -32.736 29.253 0.00 0.00 WAT1 ATOM 4847 H1 TIP3 956 27.329 -32.717 30.176 0.00 0.00 WAT1 ATOM 4848 H2 TIP3 956 27.326 -33.608 28.952 0.00 0.00 WAT1 ATOM 4849 OH2 TIP3 957 23.349 -29.985 39.689 0.00 0.00 WAT1 ATOM 4850 H1 TIP3 957 22.707 -30.026 40.398 0.00 0.00 WAT1 ATOM 4851 H2 TIP3 957 23.386 -29.059 39.451 0.00 0.00 WAT1 ATOM 4852 OH2 TIP3 958 23.346 -29.764 34.601 0.00 0.00 WAT1 ATOM 4853 H1 TIP3 958 22.453 -30.105 34.542 0.00 0.00 WAT1 ATOM 4854 H2 TIP3 958 23.797 -30.141 33.845 0.00 0.00 WAT1 ATOM 4855 OH2 TIP3 959 28.882 -29.348 33.418 0.00 0.00 WAT1 ATOM 4856 H1 TIP3 959 28.473 -28.533 33.126 0.00 0.00 WAT1 ATOM 4857 H2 TIP3 959 29.602 -29.488 32.803 0.00 0.00 WAT1 ATOM 4858 OH2 TIP3 960 25.928 -32.337 35.687 0.00 0.00 WAT1 ATOM 4859 H1 TIP3 960 25.017 -32.280 35.976 0.00 0.00 WAT1 ATOM 4860 H2 TIP3 960 26.433 -32.397 36.498 0.00 0.00 WAT1 ATOM 4861 OH2 TIP3 961 21.218 -24.956 44.836 0.00 0.00 WAT1 ATOM 4862 H1 TIP3 961 21.951 -24.702 45.397 0.00 0.00 WAT1 ATOM 4863 H2 TIP3 961 20.438 -24.752 45.351 0.00 0.00 WAT1 ATOM 4864 OH2 TIP3 962 25.874 -31.161 39.988 0.00 0.00 WAT1 ATOM 4865 H1 TIP3 962 25.039 -30.707 40.098 0.00 0.00 WAT1 ATOM 4866 H2 TIP3 962 26.398 -30.885 40.740 0.00 0.00 WAT1 ATOM 4867 OH2 TIP3 963 26.418 -24.948 31.673 0.00 0.00 WAT1 ATOM 4868 H1 TIP3 963 25.674 -25.455 31.350 0.00 0.00 WAT1 ATOM 4869 H2 TIP3 963 26.284 -24.899 32.619 0.00 0.00 WAT1 ATOM 4870 OH2 TIP3 964 30.316 -32.134 29.872 0.00 0.00 WAT1 ATOM 4871 H1 TIP3 964 29.378 -32.022 29.721 0.00 0.00 WAT1 ATOM 4872 H2 TIP3 964 30.613 -31.277 30.178 0.00 0.00 WAT1 ATOM 4873 OH2 TIP3 965 21.543 -25.653 37.442 0.00 0.00 WAT1 ATOM 4874 H1 TIP3 965 22.288 -25.655 36.841 0.00 0.00 WAT1 ATOM 4875 H2 TIP3 965 21.621 -26.477 37.924 0.00 0.00 WAT1 ATOM 4876 OH2 TIP3 966 25.568 -27.675 44.970 0.00 0.00 WAT1 ATOM 4877 H1 TIP3 966 25.272 -27.841 44.075 0.00 0.00 WAT1 ATOM 4878 H2 TIP3 966 26.499 -27.895 44.960 0.00 0.00 WAT1 ATOM 4879 OH2 TIP3 967 24.029 -19.450 33.968 0.00 0.00 WAT1 ATOM 4880 H1 TIP3 967 23.079 -19.345 34.020 0.00 0.00 WAT1 ATOM 4881 H2 TIP3 967 24.380 -18.630 34.313 0.00 0.00 WAT1 ATOM 4882 OH2 TIP3 968 25.698 -22.183 27.960 0.00 0.00 WAT1 ATOM 4883 H1 TIP3 968 25.937 -22.931 27.412 0.00 0.00 WAT1 ATOM 4884 H2 TIP3 968 25.429 -22.571 28.792 0.00 0.00 WAT1 ATOM 4885 OH2 TIP3 969 24.635 -22.613 30.416 0.00 0.00 WAT1 ATOM 4886 H1 TIP3 969 24.782 -23.133 31.206 0.00 0.00 WAT1 ATOM 4887 H2 TIP3 969 24.632 -21.706 30.722 0.00 0.00 WAT1 ATOM 4888 OH2 TIP3 970 21.088 -25.360 30.926 0.00 0.00 WAT1 ATOM 4889 H1 TIP3 970 20.402 -25.008 31.493 0.00 0.00 WAT1 ATOM 4890 H2 TIP3 970 21.611 -24.597 30.680 0.00 0.00 WAT1 ATOM 4891 OH2 TIP3 971 29.704 -33.046 32.302 0.00 0.00 WAT1 ATOM 4892 H1 TIP3 971 29.924 -32.574 31.499 0.00 0.00 WAT1 ATOM 4893 H2 TIP3 971 30.262 -32.651 32.973 0.00 0.00 WAT1 ATOM 4894 OH2 TIP3 972 26.904 -31.318 33.137 0.00 0.00 WAT1 ATOM 4895 H1 TIP3 972 27.716 -30.814 33.183 0.00 0.00 WAT1 ATOM 4896 H2 TIP3 972 26.659 -31.463 34.051 0.00 0.00 WAT1 ATOM 4897 OH2 TIP3 973 27.440 -30.332 42.322 0.00 0.00 WAT1 ATOM 4898 H1 TIP3 973 27.559 -29.758 43.079 0.00 0.00 WAT1 ATOM 4899 H2 TIP3 973 28.095 -31.020 42.437 0.00 0.00 WAT1 ATOM 4900 OH2 TIP3 974 27.788 -34.237 34.075 0.00 0.00 WAT1 ATOM 4901 H1 TIP3 974 27.441 -33.619 34.720 0.00 0.00 WAT1 ATOM 4902 H2 TIP3 974 28.446 -33.736 33.594 0.00 0.00 WAT1 ATOM 4903 OH2 TIP3 975 24.711 -19.872 31.147 0.00 0.00 WAT1 ATOM 4904 H1 TIP3 975 24.872 -19.072 30.646 0.00 0.00 WAT1 ATOM 4905 H2 TIP3 975 24.514 -19.565 32.032 0.00 0.00 WAT1 ATOM 4906 OH2 TIP3 976 21.704 -22.746 29.823 0.00 0.00 WAT1 ATOM 4907 H1 TIP3 976 22.296 -22.047 30.099 0.00 0.00 WAT1 ATOM 4908 H2 TIP3 976 22.163 -23.179 29.104 0.00 0.00 WAT1 ATOM 4909 OH2 TIP3 977 19.758 -21.360 33.773 0.00 0.00 WAT1 ATOM 4910 H1 TIP3 977 18.926 -20.887 33.800 0.00 0.00 WAT1 ATOM 4911 H2 TIP3 977 20.304 -20.850 33.174 0.00 0.00 WAT1 ATOM 4912 OH2 TIP3 978 18.954 -24.937 46.057 0.00 0.00 WAT1 ATOM 4913 H1 TIP3 978 19.098 -25.839 45.771 0.00 0.00 WAT1 ATOM 4914 H2 TIP3 978 18.181 -24.651 45.569 0.00 0.00 WAT1 ATOM 4915 OH2 TIP3 979 25.609 -24.967 45.490 0.00 0.00 WAT1 ATOM 4916 H1 TIP3 979 25.281 -24.696 44.632 0.00 0.00 WAT1 ATOM 4917 H2 TIP3 979 25.761 -25.908 45.402 0.00 0.00 WAT1 ATOM 4918 OH2 TIP3 980 24.444 -26.621 30.495 0.00 0.00 WAT1 ATOM 4919 H1 TIP3 980 23.985 -27.105 31.181 0.00 0.00 WAT1 ATOM 4920 H2 TIP3 980 24.699 -27.289 29.859 0.00 0.00 WAT1 ATOM 4921 OH2 TIP3 981 23.733 -28.728 42.851 0.00 0.00 WAT1 ATOM 4922 H1 TIP3 981 23.115 -28.053 43.132 0.00 0.00 WAT1 ATOM 4923 H2 TIP3 981 24.077 -28.407 42.018 0.00 0.00 WAT1 ATOM 4924 OH2 TIP3 982 25.515 -28.378 28.758 0.00 0.00 WAT1 ATOM 4925 H1 TIP3 982 25.335 -28.532 27.830 0.00 0.00 WAT1 ATOM 4926 H2 TIP3 982 26.466 -28.270 28.802 0.00 0.00 WAT1 ATOM 4927 OH2 TIP3 983 24.073 -31.373 43.934 0.00 0.00 WAT1 ATOM 4928 H1 TIP3 983 24.223 -32.102 43.331 0.00 0.00 WAT1 ATOM 4929 H2 TIP3 983 24.075 -30.596 43.375 0.00 0.00 WAT1 ATOM 4930 OH2 TIP3 984 24.485 -33.003 41.426 0.00 0.00 WAT1 ATOM 4931 H1 TIP3 984 25.021 -32.552 40.774 0.00 0.00 WAT1 ATOM 4932 H2 TIP3 984 23.633 -33.111 41.004 0.00 0.00 WAT1 ATOM 4933 OH2 TIP3 985 26.067 -27.564 41.666 0.00 0.00 WAT1 ATOM 4934 H1 TIP3 985 26.818 -27.720 41.093 0.00 0.00 WAT1 ATOM 4935 H2 TIP3 985 25.728 -26.712 41.390 0.00 0.00 WAT1 ATOM 4936 OH2 TIP3 986 25.291 -35.547 41.858 0.00 0.00 WAT1 ATOM 4937 H1 TIP3 986 25.193 -34.600 41.752 0.00 0.00 WAT1 ATOM 4938 H2 TIP3 986 24.548 -35.919 41.382 0.00 0.00 WAT1 ATOM 4939 OH2 TIP3 987 26.555 -31.225 45.421 0.00 0.00 WAT1 ATOM 4940 H1 TIP3 987 26.319 -31.445 46.323 0.00 0.00 WAT1 ATOM 4941 H2 TIP3 987 25.772 -31.432 44.912 0.00 0.00 WAT1 ATOM 4942 OH2 TIP3 988 25.513 -36.253 44.529 0.00 0.00 WAT1 ATOM 4943 H1 TIP3 988 26.225 -36.893 44.515 0.00 0.00 WAT1 ATOM 4944 H2 TIP3 988 25.412 -35.986 43.615 0.00 0.00 WAT1 ATOM 4945 OH2 TIP3 989 25.866 -34.570 46.583 0.00 0.00 WAT1 ATOM 4946 H1 TIP3 989 25.735 -35.046 45.762 0.00 0.00 WAT1 ATOM 4947 H2 TIP3 989 25.267 -33.826 46.527 0.00 0.00 WAT1 ATOM 4948 OH2 TIP3 990 25.413 -17.687 29.759 0.00 0.00 WAT1 ATOM 4949 H1 TIP3 990 26.346 -17.529 29.903 0.00 0.00 WAT1 ATOM 4950 H2 TIP3 990 25.149 -17.012 29.134 0.00 0.00 WAT1 ATOM 4951 OH2 TIP3 991 18.981 -23.051 29.242 0.00 0.00 WAT1 ATOM 4952 H1 TIP3 991 19.895 -22.972 29.515 0.00 0.00 WAT1 ATOM 4953 H2 TIP3 991 18.988 -23.738 28.575 0.00 0.00 WAT1 ATOM 4954 OH2 TIP3 992 18.500 -19.577 36.124 0.00 0.00 WAT1 ATOM 4955 H1 TIP3 992 18.166 -20.458 36.296 0.00 0.00 WAT1 ATOM 4956 H2 TIP3 992 18.722 -19.232 36.988 0.00 0.00 WAT1 ATOM 4957 OH2 TIP3 993 18.580 -26.502 38.575 0.00 0.00 WAT1 ATOM 4958 H1 TIP3 993 18.764 -26.584 37.640 0.00 0.00 WAT1 ATOM 4959 H2 TIP3 993 19.429 -26.626 38.999 0.00 0.00 WAT1 ATOM 4960 OH2 TIP3 994 19.943 -18.895 38.436 0.00 0.00 WAT1 ATOM 4961 H1 TIP3 994 19.924 -19.320 39.293 0.00 0.00 WAT1 ATOM 4962 H2 TIP3 994 20.748 -19.213 38.027 0.00 0.00 WAT1 ATOM 4963 OH2 TIP3 995 22.084 -20.185 37.091 0.00 0.00 WAT1 ATOM 4964 H1 TIP3 995 21.865 -21.101 37.260 0.00 0.00 WAT1 ATOM 4965 H2 TIP3 995 22.908 -20.045 37.557 0.00 0.00 WAT1 ATOM 4966 OH2 TIP3 996 25.036 -35.490 34.719 0.00 0.00 WAT1 ATOM 4967 H1 TIP3 996 25.910 -35.102 34.689 0.00 0.00 WAT1 ATOM 4968 H2 TIP3 996 24.900 -35.705 35.642 0.00 0.00 WAT1 ATOM 4969 OH2 TIP3 997 22.387 -35.552 45.959 0.00 0.00 WAT1 ATOM 4970 H1 TIP3 997 23.286 -35.826 45.774 0.00 0.00 WAT1 ATOM 4971 H2 TIP3 997 22.001 -36.295 46.423 0.00 0.00 WAT1 ATOM 4972 OH2 TIP3 998 18.370 -29.281 52.660 0.00 0.00 WAT1 ATOM 4973 H1 TIP3 998 17.922 -28.435 52.642 0.00 0.00 WAT1 ATOM 4974 H2 TIP3 998 17.809 -29.861 52.145 0.00 0.00 WAT1 ATOM 4975 OH2 TIP3 999 22.297 -27.107 51.596 0.00 0.00 WAT1 ATOM 4976 H1 TIP3 999 22.005 -26.339 51.105 0.00 0.00 WAT1 ATOM 4977 H2 TIP3 999 21.623 -27.767 51.433 0.00 0.00 WAT1 ATOM 4978 OH2 TIP3 1000 24.465 -32.291 47.210 0.00 0.00 WAT1 ATOM 4979 H1 TIP3 1000 24.034 -32.736 47.940 0.00 0.00 WAT1 ATOM 4980 H2 TIP3 1000 23.747 -31.919 46.698 0.00 0.00 WAT1 ATOM 4981 OH2 TIP3 1001 18.982 -31.803 49.686 0.00 0.00 WAT1 ATOM 4982 H1 TIP3 1001 19.456 -31.212 49.101 0.00 0.00 WAT1 ATOM 4983 H2 TIP3 1001 18.264 -31.272 50.033 0.00 0.00 WAT1 ATOM 4984 OH2 TIP3 1002 23.083 -29.513 48.593 0.00 0.00 WAT1 ATOM 4985 H1 TIP3 1002 22.541 -29.893 47.902 0.00 0.00 WAT1 ATOM 4986 H2 TIP3 1002 23.917 -29.319 48.164 0.00 0.00 WAT1 ATOM 4987 OH2 TIP3 1003 19.673 -27.273 48.290 0.00 0.00 WAT1 ATOM 4988 H1 TIP3 1003 20.289 -26.646 48.669 0.00 0.00 WAT1 ATOM 4989 H2 TIP3 1003 18.811 -26.957 48.561 0.00 0.00 WAT1 ATOM 4990 OH2 TIP3 1004 21.088 -25.360 49.782 0.00 0.00 WAT1 ATOM 4991 H1 TIP3 1004 20.402 -25.008 50.349 0.00 0.00 WAT1 ATOM 4992 H2 TIP3 1004 21.611 -24.597 49.536 0.00 0.00 WAT1 ATOM 4993 OH2 TIP3 1005 23.445 -33.174 49.619 0.00 0.00 WAT1 ATOM 4994 H1 TIP3 1005 23.362 -32.285 49.965 0.00 0.00 WAT1 ATOM 4995 H2 TIP3 1005 24.335 -33.439 49.850 0.00 0.00 WAT1 ATOM 4996 OH2 TIP3 1006 23.295 -24.593 47.045 0.00 0.00 WAT1 ATOM 4997 H1 TIP3 1006 23.359 -25.387 47.576 0.00 0.00 WAT1 ATOM 4998 H2 TIP3 1006 23.948 -24.712 46.356 0.00 0.00 WAT1 ATOM 4999 OH2 TIP3 1007 24.444 -26.621 49.351 0.00 0.00 WAT1 ATOM 5000 H1 TIP3 1007 23.985 -27.105 50.037 0.00 0.00 WAT1 ATOM 5001 H2 TIP3 1007 24.699 -27.289 48.715 0.00 0.00 WAT1 ATOM 5002 OH2 TIP3 1008 25.515 -28.378 47.614 0.00 0.00 WAT1 ATOM 5003 H1 TIP3 1008 25.335 -28.532 46.686 0.00 0.00 WAT1 ATOM 5004 H2 TIP3 1008 26.466 -28.270 47.658 0.00 0.00 WAT1 ATOM 5005 OH2 TIP3 1009 18.981 -23.051 48.098 0.00 0.00 WAT1 ATOM 5006 H1 TIP3 1009 19.895 -22.972 48.371 0.00 0.00 WAT1 ATOM 5007 H2 TIP3 1009 18.988 -23.738 47.431 0.00 0.00 WAT1 ATOM 5008 OH2 TIP3 1010 18.016 -33.662 51.587 0.00 0.00 WAT1 ATOM 5009 H1 TIP3 1010 17.091 -33.453 51.457 0.00 0.00 WAT1 ATOM 5010 H2 TIP3 1010 18.470 -33.178 50.897 0.00 0.00 WAT1 ATOM 5011 OH2 TIP3 1011 19.293 -35.619 49.565 0.00 0.00 WAT1 ATOM 5012 H1 TIP3 1011 19.732 -35.008 48.974 0.00 0.00 WAT1 ATOM 5013 H2 TIP3 1011 18.659 -35.081 50.039 0.00 0.00 WAT1 ATOM 5014 OH2 TIP3 1012 21.154 -33.703 48.008 0.00 0.00 WAT1 ATOM 5015 H1 TIP3 1012 21.645 -34.333 47.480 0.00 0.00 WAT1 ATOM 5016 H2 TIP3 1012 21.777 -33.407 48.671 0.00 0.00 WAT1 ATOM 5017 OH2 TIP3 1013 28.468 -8.150 0.571 0.00 0.00 WAT1 ATOM 5018 H1 TIP3 1013 28.430 -8.796 1.276 0.00 0.00 WAT1 ATOM 5019 H2 TIP3 1013 28.145 -8.616 -0.200 0.00 0.00 WAT1 ATOM 5020 OH2 TIP3 1014 20.836 -8.535 2.164 0.00 0.00 WAT1 ATOM 5021 H1 TIP3 1014 20.878 -9.161 2.888 0.00 0.00 WAT1 ATOM 5022 H2 TIP3 1014 21.539 -7.912 2.346 0.00 0.00 WAT1 ATOM 5023 OH2 TIP3 1015 21.760 -4.085 0.699 0.00 0.00 WAT1 ATOM 5024 H1 TIP3 1015 21.390 -4.887 0.330 0.00 0.00 WAT1 ATOM 5025 H2 TIP3 1015 22.701 -4.254 0.746 0.00 0.00 WAT1 ATOM 5026 OH2 TIP3 1016 19.080 -8.263 -1.782 0.00 0.00 WAT1 ATOM 5027 H1 TIP3 1016 19.294 -9.033 -1.255 0.00 0.00 WAT1 ATOM 5028 H2 TIP3 1016 19.818 -8.174 -2.385 0.00 0.00 WAT1 ATOM 5029 OH2 TIP3 1017 26.857 -5.717 0.977 0.00 0.00 WAT1 ATOM 5030 H1 TIP3 1017 27.161 -6.403 0.383 0.00 0.00 WAT1 ATOM 5031 H2 TIP3 1017 27.579 -5.599 1.595 0.00 0.00 WAT1 ATOM 5032 OH2 TIP3 1018 29.998 -11.323 1.305 0.00 0.00 WAT1 ATOM 5033 H1 TIP3 1018 30.141 -12.270 1.325 0.00 0.00 WAT1 ATOM 5034 H2 TIP3 1018 29.892 -11.116 0.376 0.00 0.00 WAT1 ATOM 5035 OH2 TIP3 1019 19.773 -10.825 -0.661 0.00 0.00 WAT1 ATOM 5036 H1 TIP3 1019 20.427 -11.375 -0.229 0.00 0.00 WAT1 ATOM 5037 H2 TIP3 1019 19.797 -11.099 -1.577 0.00 0.00 WAT1 ATOM 5038 OH2 TIP3 1020 21.963 -14.304 2.651 0.00 0.00 WAT1 ATOM 5039 H1 TIP3 1020 21.744 -13.774 1.885 0.00 0.00 WAT1 ATOM 5040 H2 TIP3 1020 21.295 -14.077 3.299 0.00 0.00 WAT1 ATOM 5041 OH2 TIP3 1021 24.532 -6.628 2.939 0.00 0.00 WAT1 ATOM 5042 H1 TIP3 1021 23.792 -6.030 3.042 0.00 0.00 WAT1 ATOM 5043 H2 TIP3 1021 25.246 -6.074 2.623 0.00 0.00 WAT1 ATOM 5044 OH2 TIP3 1022 21.557 -12.412 0.604 0.00 0.00 WAT1 ATOM 5045 H1 TIP3 1022 22.170 -11.779 0.977 0.00 0.00 WAT1 ATOM 5046 H2 TIP3 1022 22.069 -12.884 -0.053 0.00 0.00 WAT1 ATOM 5047 OH2 TIP3 1023 31.559 -9.777 4.624 0.00 0.00 WAT1 ATOM 5048 H1 TIP3 1023 31.639 -9.014 5.196 0.00 0.00 WAT1 ATOM 5049 H2 TIP3 1023 30.958 -9.498 3.933 0.00 0.00 WAT1 ATOM 5050 OH2 TIP3 1024 24.674 -3.893 0.120 0.00 0.00 WAT1 ATOM 5051 H1 TIP3 1024 24.579 -4.471 -0.637 0.00 0.00 WAT1 ATOM 5052 H2 TIP3 1024 25.403 -4.264 0.616 0.00 0.00 WAT1 ATOM 5053 OH2 TIP3 1025 23.674 -8.552 1.072 0.00 0.00 WAT1 ATOM 5054 H1 TIP3 1025 24.239 -8.431 0.309 0.00 0.00 WAT1 ATOM 5055 H2 TIP3 1025 23.993 -7.915 1.711 0.00 0.00 WAT1 ATOM 5056 OH2 TIP3 1026 18.141 -3.108 0.727 0.00 0.00 WAT1 ATOM 5057 H1 TIP3 1026 19.087 -3.252 0.708 0.00 0.00 WAT1 ATOM 5058 H2 TIP3 1026 18.028 -2.324 1.264 0.00 0.00 WAT1 ATOM 5059 OH2 TIP3 1027 27.317 -2.868 5.285 0.00 0.00 WAT1 ATOM 5060 H1 TIP3 1027 27.404 -2.042 5.760 0.00 0.00 WAT1 ATOM 5061 H2 TIP3 1027 26.453 -3.198 5.534 0.00 0.00 WAT1 ATOM 5062 OH2 TIP3 1028 33.490 -10.949 6.889 0.00 0.00 WAT1 ATOM 5063 H1 TIP3 1028 33.083 -10.468 6.169 0.00 0.00 WAT1 ATOM 5064 H2 TIP3 1028 33.531 -11.854 6.582 0.00 0.00 WAT1 ATOM 5065 OH2 TIP3 1029 27.921 -16.373 4.256 0.00 0.00 WAT1 ATOM 5066 H1 TIP3 1029 28.341 -16.788 5.009 0.00 0.00 WAT1 ATOM 5067 H2 TIP3 1029 26.988 -16.551 4.373 0.00 0.00 WAT1 ATOM 5068 OH2 TIP3 1030 31.247 -12.617 5.110 0.00 0.00 WAT1 ATOM 5069 H1 TIP3 1030 30.733 -12.743 5.907 0.00 0.00 WAT1 ATOM 5070 H2 TIP3 1030 31.092 -11.705 4.865 0.00 0.00 WAT1 ATOM 5071 OH2 TIP3 1031 23.349 -11.129 1.977 0.00 0.00 WAT1 ATOM 5072 H1 TIP3 1031 22.707 -11.170 2.686 0.00 0.00 WAT1 ATOM 5073 H2 TIP3 1031 23.386 -10.203 1.739 0.00 0.00 WAT1 ATOM 5074 OH2 TIP3 1032 17.707 -13.693 -2.306 0.00 0.00 WAT1 ATOM 5075 H1 TIP3 1032 18.338 -13.722 -1.586 0.00 0.00 WAT1 ATOM 5076 H2 TIP3 1032 18.157 -14.118 -3.036 0.00 0.00 WAT1 ATOM 5077 OH2 TIP3 1033 29.150 -9.408 3.191 0.00 0.00 WAT1 ATOM 5078 H1 TIP3 1033 29.474 -10.039 2.548 0.00 0.00 WAT1 ATOM 5079 H2 TIP3 1033 28.710 -9.943 3.852 0.00 0.00 WAT1 ATOM 5080 OH2 TIP3 1034 27.248 -10.693 -0.138 0.00 0.00 WAT1 ATOM 5081 H1 TIP3 1034 27.812 -11.240 -0.685 0.00 0.00 WAT1 ATOM 5082 H2 TIP3 1034 27.100 -11.215 0.651 0.00 0.00 WAT1 ATOM 5083 OH2 TIP3 1035 25.874 -12.305 2.276 0.00 0.00 WAT1 ATOM 5084 H1 TIP3 1035 25.039 -11.851 2.386 0.00 0.00 WAT1 ATOM 5085 H2 TIP3 1035 26.398 -12.029 3.028 0.00 0.00 WAT1 ATOM 5086 OH2 TIP3 1036 21.543 -6.797 -0.270 0.00 0.00 WAT1 ATOM 5087 H1 TIP3 1036 22.288 -6.799 -0.871 0.00 0.00 WAT1 ATOM 5088 H2 TIP3 1036 21.621 -7.621 0.212 0.00 0.00 WAT1 ATOM 5089 OH2 TIP3 1037 30.188 -3.446 5.148 0.00 0.00 WAT1 ATOM 5090 H1 TIP3 1037 29.287 -3.263 4.880 0.00 0.00 WAT1 ATOM 5091 H2 TIP3 1037 30.222 -3.187 6.069 0.00 0.00 WAT1 ATOM 5092 OH2 TIP3 1038 25.860 -1.467 3.026 0.00 0.00 WAT1 ATOM 5093 H1 TIP3 1038 26.223 -0.612 2.793 0.00 0.00 WAT1 ATOM 5094 H2 TIP3 1038 26.392 -1.759 3.767 0.00 0.00 WAT1 ATOM 5095 OH2 TIP3 1039 29.404 -5.368 2.727 0.00 0.00 WAT1 ATOM 5096 H1 TIP3 1039 28.978 -5.595 3.553 0.00 0.00 WAT1 ATOM 5097 H2 TIP3 1039 29.985 -6.106 2.544 0.00 0.00 WAT1 ATOM 5098 OH2 TIP3 1040 19.836 -1.778 3.038 0.00 0.00 WAT1 ATOM 5099 H1 TIP3 1040 20.053 -2.710 3.007 0.00 0.00 WAT1 ATOM 5100 H2 TIP3 1040 20.083 -1.504 3.922 0.00 0.00 WAT1 ATOM 5101 OH2 TIP3 1041 28.920 -13.842 3.493 0.00 0.00 WAT1 ATOM 5102 H1 TIP3 1041 29.618 -13.768 4.143 0.00 0.00 WAT1 ATOM 5103 H2 TIP3 1041 28.539 -14.706 3.648 0.00 0.00 WAT1 ATOM 5104 OH2 TIP3 1042 20.828 -16.444 -0.100 0.00 0.00 WAT1 ATOM 5105 H1 TIP3 1042 20.599 -16.385 -1.027 0.00 0.00 WAT1 ATOM 5106 H2 TIP3 1042 20.385 -17.236 0.207 0.00 0.00 WAT1 ATOM 5107 OH2 TIP3 1043 30.221 -2.592 7.740 0.00 0.00 WAT1 ATOM 5108 H1 TIP3 1043 29.870 -3.448 7.983 0.00 0.00 WAT1 ATOM 5109 H2 TIP3 1043 30.947 -2.449 8.347 0.00 0.00 WAT1 ATOM 5110 OH2 TIP3 1044 31.344 -6.195 5.161 0.00 0.00 WAT1 ATOM 5111 H1 TIP3 1044 32.089 -5.607 5.041 0.00 0.00 WAT1 ATOM 5112 H2 TIP3 1044 30.587 -5.613 5.224 0.00 0.00 WAT1 ATOM 5113 OH2 TIP3 1045 24.485 -14.147 3.714 0.00 0.00 WAT1 ATOM 5114 H1 TIP3 1045 25.021 -13.696 3.062 0.00 0.00 WAT1 ATOM 5115 H2 TIP3 1045 23.633 -14.255 3.292 0.00 0.00 WAT1 ATOM 5116 OH2 TIP3 1046 30.483 -10.893 8.982 0.00 0.00 WAT1 ATOM 5117 H1 TIP3 1046 30.675 -11.824 8.871 0.00 0.00 WAT1 ATOM 5118 H2 TIP3 1046 31.340 -10.468 8.972 0.00 0.00 WAT1 ATOM 5119 OH2 TIP3 1047 31.799 -8.104 7.060 0.00 0.00 WAT1 ATOM 5120 H1 TIP3 1047 31.518 -7.395 6.482 0.00 0.00 WAT1 ATOM 5121 H2 TIP3 1047 32.742 -8.177 6.909 0.00 0.00 WAT1 ATOM 5122 OH2 TIP3 1048 25.291 -16.691 4.146 0.00 0.00 WAT1 ATOM 5123 H1 TIP3 1048 25.193 -15.744 4.040 0.00 0.00 WAT1 ATOM 5124 H2 TIP3 1048 24.548 -17.063 3.670 0.00 0.00 WAT1 ATOM 5125 OH2 TIP3 1049 29.271 -13.242 6.785 0.00 0.00 WAT1 ATOM 5126 H1 TIP3 1049 28.323 -13.210 6.917 0.00 0.00 WAT1 ATOM 5127 H2 TIP3 1049 29.583 -13.867 7.439 0.00 0.00 WAT1 ATOM 5128 OH2 TIP3 1050 30.905 -14.608 8.790 0.00 0.00 WAT1 ATOM 5129 H1 TIP3 1050 30.808 -15.560 8.784 0.00 0.00 WAT1 ATOM 5130 H2 TIP3 1050 30.583 -14.339 9.651 0.00 0.00 WAT1 ATOM 5131 OH2 TIP3 1051 25.513 -17.397 6.817 0.00 0.00 WAT1 ATOM 5132 H1 TIP3 1051 26.225 -18.037 6.803 0.00 0.00 WAT1 ATOM 5133 H2 TIP3 1051 25.412 -17.130 5.903 0.00 0.00 WAT1 ATOM 5134 OH2 TIP3 1052 25.866 -15.714 8.871 0.00 0.00 WAT1 ATOM 5135 H1 TIP3 1052 25.735 -16.190 8.050 0.00 0.00 WAT1 ATOM 5136 H2 TIP3 1052 25.267 -14.970 8.815 0.00 0.00 WAT1 ATOM 5137 OH2 TIP3 1053 18.580 -7.646 0.863 0.00 0.00 WAT1 ATOM 5138 H1 TIP3 1053 18.764 -7.728 -0.072 0.00 0.00 WAT1 ATOM 5139 H2 TIP3 1053 19.429 -7.770 1.287 0.00 0.00 WAT1 ATOM 5140 OH2 TIP3 1054 19.399 -14.063 -0.105 0.00 0.00 WAT1 ATOM 5141 H1 TIP3 1054 19.844 -14.855 0.197 0.00 0.00 WAT1 ATOM 5142 H2 TIP3 1054 19.865 -13.347 0.326 0.00 0.00 WAT1 ATOM 5143 OH2 TIP3 1055 17.980 -16.068 3.363 0.00 0.00 WAT1 ATOM 5144 H1 TIP3 1055 17.315 -16.314 4.006 0.00 0.00 WAT1 ATOM 5145 H2 TIP3 1055 17.537 -15.446 2.786 0.00 0.00 WAT1 ATOM 5146 OH2 TIP3 1056 23.126 -1.918 3.766 0.00 0.00 WAT1 ATOM 5147 H1 TIP3 1056 22.701 -1.109 3.483 0.00 0.00 WAT1 ATOM 5148 H2 TIP3 1056 24.031 -1.833 3.464 0.00 0.00 WAT1 ATOM 5149 OH2 TIP3 1057 27.437 -0.519 6.725 0.00 0.00 WAT1 ATOM 5150 H1 TIP3 1057 27.622 -0.853 7.603 0.00 0.00 WAT1 ATOM 5151 H2 TIP3 1057 28.284 -0.210 6.403 0.00 0.00 WAT1 ATOM 5152 OH2 TIP3 1058 20.528 1.338 3.813 0.00 0.00 WAT1 ATOM 5153 H1 TIP3 1058 19.808 1.778 3.362 0.00 0.00 WAT1 ATOM 5154 H2 TIP3 1058 20.162 1.087 4.662 0.00 0.00 WAT1 ATOM 5155 OH2 TIP3 1059 22.995 0.938 2.843 0.00 0.00 WAT1 ATOM 5156 H1 TIP3 1059 22.130 1.010 3.247 0.00 0.00 WAT1 ATOM 5157 H2 TIP3 1059 22.940 1.485 2.059 0.00 0.00 WAT1 ATOM 5158 OH2 TIP3 1060 19.943 -0.039 0.724 0.00 0.00 WAT1 ATOM 5159 H1 TIP3 1060 19.924 -0.464 1.581 0.00 0.00 WAT1 ATOM 5160 H2 TIP3 1060 20.748 -0.357 0.315 0.00 0.00 WAT1 ATOM 5161 OH2 TIP3 1061 20.414 -16.047 6.711 0.00 0.00 WAT1 ATOM 5162 H1 TIP3 1061 20.048 -16.812 7.154 0.00 0.00 WAT1 ATOM 5163 H2 TIP3 1061 21.327 -16.018 6.998 0.00 0.00 WAT1 ATOM 5164 OH2 TIP3 1062 22.387 -16.696 8.247 0.00 0.00 WAT1 ATOM 5165 H1 TIP3 1062 23.286 -16.970 8.062 0.00 0.00 WAT1 ATOM 5166 H2 TIP3 1062 22.001 -17.439 8.711 0.00 0.00 WAT1 ATOM 5167 OH2 TIP3 1063 28.468 -8.150 19.427 0.00 0.00 WAT1 ATOM 5168 H1 TIP3 1063 28.430 -8.796 20.132 0.00 0.00 WAT1 ATOM 5169 H2 TIP3 1063 28.145 -8.616 18.656 0.00 0.00 WAT1 ATOM 5170 OH2 TIP3 1064 21.760 -4.085 19.555 0.00 0.00 WAT1 ATOM 5171 H1 TIP3 1064 21.390 -4.887 19.186 0.00 0.00 WAT1 ATOM 5172 H2 TIP3 1064 22.701 -4.254 19.602 0.00 0.00 WAT1 ATOM 5173 OH2 TIP3 1065 26.857 -5.717 19.833 0.00 0.00 WAT1 ATOM 5174 H1 TIP3 1065 27.161 -6.403 19.239 0.00 0.00 WAT1 ATOM 5175 H2 TIP3 1065 27.579 -5.599 20.451 0.00 0.00 WAT1 ATOM 5176 OH2 TIP3 1066 29.998 -11.323 20.161 0.00 0.00 WAT1 ATOM 5177 H1 TIP3 1066 30.141 -12.270 20.181 0.00 0.00 WAT1 ATOM 5178 H2 TIP3 1066 29.892 -11.116 19.232 0.00 0.00 WAT1 ATOM 5179 OH2 TIP3 1067 24.929 -9.275 17.411 0.00 0.00 WAT1 ATOM 5180 H1 TIP3 1067 25.545 -9.801 17.920 0.00 0.00 WAT1 ATOM 5181 H2 TIP3 1067 24.343 -9.915 17.007 0.00 0.00 WAT1 ATOM 5182 OH2 TIP3 1068 19.061 -4.993 13.364 0.00 0.00 WAT1 ATOM 5183 H1 TIP3 1068 18.789 -4.764 12.475 0.00 0.00 WAT1 ATOM 5184 H2 TIP3 1068 19.106 -4.155 13.824 0.00 0.00 WAT1 ATOM 5185 OH2 TIP3 1069 28.256 -8.161 13.460 0.00 0.00 WAT1 ATOM 5186 H1 TIP3 1069 27.544 -7.626 13.109 0.00 0.00 WAT1 ATOM 5187 H2 TIP3 1069 28.947 -8.105 12.800 0.00 0.00 WAT1 ATOM 5188 OH2 TIP3 1070 31.559 -9.777 23.480 0.00 0.00 WAT1 ATOM 5189 H1 TIP3 1070 31.639 -9.014 24.052 0.00 0.00 WAT1 ATOM 5190 H2 TIP3 1070 30.958 -9.498 22.789 0.00 0.00 WAT1 ATOM 5191 OH2 TIP3 1071 23.307 -7.321 16.295 0.00 0.00 WAT1 ATOM 5192 H1 TIP3 1071 22.977 -7.691 15.476 0.00 0.00 WAT1 ATOM 5193 H2 TIP3 1071 23.895 -7.991 16.641 0.00 0.00 WAT1 ATOM 5194 OH2 TIP3 1072 24.674 -3.893 18.976 0.00 0.00 WAT1 ATOM 5195 H1 TIP3 1072 24.579 -4.471 18.219 0.00 0.00 WAT1 ATOM 5196 H2 TIP3 1072 25.403 -4.264 19.472 0.00 0.00 WAT1 ATOM 5197 OH2 TIP3 1073 30.533 -8.789 12.097 0.00 0.00 WAT1 ATOM 5198 H1 TIP3 1073 31.112 -8.639 12.844 0.00 0.00 WAT1 ATOM 5199 H2 TIP3 1073 30.947 -8.318 11.374 0.00 0.00 WAT1 ATOM 5200 OH2 TIP3 1074 22.793 -2.081 25.409 0.00 0.00 WAT1 ATOM 5201 H1 TIP3 1074 22.801 -2.217 24.461 0.00 0.00 WAT1 ATOM 5202 H2 TIP3 1074 21.877 -2.199 25.661 0.00 0.00 WAT1 ATOM 5203 OH2 TIP3 1075 22.297 -8.251 13.884 0.00 0.00 WAT1 ATOM 5204 H1 TIP3 1075 22.005 -7.483 13.393 0.00 0.00 WAT1 ATOM 5205 H2 TIP3 1075 21.623 -8.911 13.721 0.00 0.00 WAT1 ATOM 5206 OH2 TIP3 1076 18.390 -5.888 22.699 0.00 0.00 WAT1 ATOM 5207 H1 TIP3 1076 17.889 -5.916 21.884 0.00 0.00 WAT1 ATOM 5208 H2 TIP3 1076 18.396 -6.794 23.009 0.00 0.00 WAT1 ATOM 5209 OH2 TIP3 1077 18.141 -3.108 19.583 0.00 0.00 WAT1 ATOM 5210 H1 TIP3 1077 19.087 -3.252 19.564 0.00 0.00 WAT1 ATOM 5211 H2 TIP3 1077 18.028 -2.324 20.120 0.00 0.00 WAT1 ATOM 5212 OH2 TIP3 1078 27.317 -2.868 24.141 0.00 0.00 WAT1 ATOM 5213 H1 TIP3 1078 27.404 -2.042 24.616 0.00 0.00 WAT1 ATOM 5214 H2 TIP3 1078 26.453 -3.198 24.390 0.00 0.00 WAT1 ATOM 5215 OH2 TIP3 1079 27.731 0.904 13.947 0.00 0.00 WAT1 ATOM 5216 H1 TIP3 1079 27.656 0.783 13.001 0.00 0.00 WAT1 ATOM 5217 H2 TIP3 1079 27.764 1.854 14.066 0.00 0.00 WAT1 ATOM 5218 OH2 TIP3 1080 21.385 -0.307 15.728 0.00 0.00 WAT1 ATOM 5219 H1 TIP3 1080 21.537 -0.655 16.607 0.00 0.00 WAT1 ATOM 5220 H2 TIP3 1080 20.534 -0.663 15.473 0.00 0.00 WAT1 ATOM 5221 OH2 TIP3 1081 20.639 -4.565 23.742 0.00 0.00 WAT1 ATOM 5222 H1 TIP3 1081 20.856 -4.926 24.602 0.00 0.00 WAT1 ATOM 5223 H2 TIP3 1081 19.784 -4.939 23.532 0.00 0.00 WAT1 ATOM 5224 OH2 TIP3 1082 27.921 -16.373 23.112 0.00 0.00 WAT1 ATOM 5225 H1 TIP3 1082 28.341 -16.788 23.865 0.00 0.00 WAT1 ATOM 5226 H2 TIP3 1082 26.988 -16.551 23.229 0.00 0.00 WAT1 ATOM 5227 OH2 TIP3 1083 31.247 -12.617 23.966 0.00 0.00 WAT1 ATOM 5228 H1 TIP3 1083 30.733 -12.743 24.763 0.00 0.00 WAT1 ATOM 5229 H2 TIP3 1083 31.092 -11.705 23.721 0.00 0.00 WAT1 ATOM 5230 OH2 TIP3 1084 32.010 -7.756 9.727 0.00 0.00 WAT1 ATOM 5231 H1 TIP3 1084 32.052 -7.979 8.797 0.00 0.00 WAT1 ATOM 5232 H2 TIP3 1084 32.859 -7.358 9.917 0.00 0.00 WAT1 ATOM 5233 OH2 TIP3 1085 27.583 -13.880 10.397 0.00 0.00 WAT1 ATOM 5234 H1 TIP3 1085 27.329 -13.861 11.320 0.00 0.00 WAT1 ATOM 5235 H2 TIP3 1085 27.326 -14.752 10.096 0.00 0.00 WAT1 ATOM 5236 OH2 TIP3 1086 23.346 -10.908 15.745 0.00 0.00 WAT1 ATOM 5237 H1 TIP3 1086 22.453 -11.249 15.686 0.00 0.00 WAT1 ATOM 5238 H2 TIP3 1086 23.797 -11.285 14.989 0.00 0.00 WAT1 ATOM 5239 OH2 TIP3 1087 28.882 -10.492 14.562 0.00 0.00 WAT1 ATOM 5240 H1 TIP3 1087 28.473 -9.677 14.270 0.00 0.00 WAT1 ATOM 5241 H2 TIP3 1087 29.602 -10.632 13.947 0.00 0.00 WAT1 ATOM 5242 OH2 TIP3 1088 27.984 -10.317 26.050 0.00 0.00 WAT1 ATOM 5243 H1 TIP3 1088 27.421 -11.021 26.370 0.00 0.00 WAT1 ATOM 5244 H2 TIP3 1088 28.810 -10.437 26.517 0.00 0.00 WAT1 ATOM 5245 OH2 TIP3 1089 29.150 -9.408 22.047 0.00 0.00 WAT1 ATOM 5246 H1 TIP3 1089 29.474 -10.039 21.404 0.00 0.00 WAT1 ATOM 5247 H2 TIP3 1089 28.710 -9.943 22.708 0.00 0.00 WAT1 ATOM 5248 OH2 TIP3 1090 25.928 -13.481 16.831 0.00 0.00 WAT1 ATOM 5249 H1 TIP3 1090 25.017 -13.424 17.120 0.00 0.00 WAT1 ATOM 5250 H2 TIP3 1090 26.433 -13.541 17.642 0.00 0.00 WAT1 ATOM 5251 OH2 TIP3 1091 24.409 -11.852 13.314 0.00 0.00 WAT1 ATOM 5252 H1 TIP3 1091 25.341 -11.723 13.492 0.00 0.00 WAT1 ATOM 5253 H2 TIP3 1091 24.194 -11.182 12.665 0.00 0.00 WAT1 ATOM 5254 OH2 TIP3 1092 21.218 -6.100 25.980 0.00 0.00 WAT1 ATOM 5255 H1 TIP3 1092 21.951 -5.846 26.541 0.00 0.00 WAT1 ATOM 5256 H2 TIP3 1092 20.438 -5.896 26.495 0.00 0.00 WAT1 ATOM 5257 OH2 TIP3 1093 27.248 -10.693 18.718 0.00 0.00 WAT1 ATOM 5258 H1 TIP3 1093 27.812 -11.240 18.171 0.00 0.00 WAT1 ATOM 5259 H2 TIP3 1093 27.100 -11.215 19.507 0.00 0.00 WAT1 ATOM 5260 OH2 TIP3 1094 25.874 -12.305 21.132 0.00 0.00 WAT1 ATOM 5261 H1 TIP3 1094 25.039 -11.851 21.242 0.00 0.00 WAT1 ATOM 5262 H2 TIP3 1094 26.398 -12.029 21.884 0.00 0.00 WAT1 ATOM 5263 OH2 TIP3 1095 26.418 -6.092 12.817 0.00 0.00 WAT1 ATOM 5264 H1 TIP3 1095 25.674 -6.599 12.494 0.00 0.00 WAT1 ATOM 5265 H2 TIP3 1095 26.284 -6.043 13.763 0.00 0.00 WAT1 ATOM 5266 OH2 TIP3 1096 30.316 -13.278 11.016 0.00 0.00 WAT1 ATOM 5267 H1 TIP3 1096 29.378 -13.166 10.865 0.00 0.00 WAT1 ATOM 5268 H2 TIP3 1096 30.613 -12.421 11.322 0.00 0.00 WAT1 ATOM 5269 OH2 TIP3 1097 31.034 -11.411 12.677 0.00 0.00 WAT1 ATOM 5270 H1 TIP3 1097 31.926 -11.548 12.996 0.00 0.00 WAT1 ATOM 5271 H2 TIP3 1097 31.091 -10.620 12.140 0.00 0.00 WAT1 ATOM 5272 OH2 TIP3 1098 28.544 -4.633 11.842 0.00 0.00 WAT1 ATOM 5273 H1 TIP3 1098 28.249 -3.807 12.224 0.00 0.00 WAT1 ATOM 5274 H2 TIP3 1098 27.841 -5.253 12.038 0.00 0.00 WAT1 ATOM 5275 OH2 TIP3 1099 30.188 -3.446 24.004 0.00 0.00 WAT1 ATOM 5276 H1 TIP3 1099 29.287 -3.263 23.736 0.00 0.00 WAT1 ATOM 5277 H2 TIP3 1099 30.222 -3.187 24.925 0.00 0.00 WAT1 ATOM 5278 OH2 TIP3 1100 23.918 -3.279 15.991 0.00 0.00 WAT1 ATOM 5279 H1 TIP3 1100 24.445 -2.506 15.790 0.00 0.00 WAT1 ATOM 5280 H2 TIP3 1100 23.038 -3.054 15.689 0.00 0.00 WAT1 ATOM 5281 OH2 TIP3 1101 25.345 -5.616 15.567 0.00 0.00 WAT1 ATOM 5282 H1 TIP3 1101 25.104 -4.691 15.609 0.00 0.00 WAT1 ATOM 5283 H2 TIP3 1101 24.605 -6.075 15.963 0.00 0.00 WAT1 ATOM 5284 OH2 TIP3 1102 25.860 -1.467 21.882 0.00 0.00 WAT1 ATOM 5285 H1 TIP3 1102 26.223 -0.612 21.649 0.00 0.00 WAT1 ATOM 5286 H2 TIP3 1102 26.392 -1.759 22.623 0.00 0.00 WAT1 ATOM 5287 OH2 TIP3 1103 24.029 -0.594 15.112 0.00 0.00 WAT1 ATOM 5288 H1 TIP3 1103 23.079 -0.489 15.164 0.00 0.00 WAT1 ATOM 5289 H2 TIP3 1103 24.380 0.226 15.457 0.00 0.00 WAT1 ATOM 5290 OH2 TIP3 1104 29.404 -5.368 21.583 0.00 0.00 WAT1 ATOM 5291 H1 TIP3 1104 28.978 -5.595 22.409 0.00 0.00 WAT1 ATOM 5292 H2 TIP3 1104 29.985 -6.106 21.400 0.00 0.00 WAT1 ATOM 5293 OH2 TIP3 1105 19.836 -1.778 21.894 0.00 0.00 WAT1 ATOM 5294 H1 TIP3 1105 20.053 -2.710 21.863 0.00 0.00 WAT1 ATOM 5295 H2 TIP3 1105 20.083 -1.504 22.778 0.00 0.00 WAT1 ATOM 5296 OH2 TIP3 1106 25.698 -3.327 9.104 0.00 0.00 WAT1 ATOM 5297 H1 TIP3 1106 25.937 -4.075 8.556 0.00 0.00 WAT1 ATOM 5298 H2 TIP3 1106 25.429 -3.715 9.936 0.00 0.00 WAT1 ATOM 5299 OH2 TIP3 1107 24.635 -3.757 11.560 0.00 0.00 WAT1 ATOM 5300 H1 TIP3 1107 24.782 -4.277 12.350 0.00 0.00 WAT1 ATOM 5301 H2 TIP3 1107 24.632 -2.850 11.866 0.00 0.00 WAT1 ATOM 5302 OH2 TIP3 1108 28.920 -13.842 22.349 0.00 0.00 WAT1 ATOM 5303 H1 TIP3 1108 29.618 -13.768 22.999 0.00 0.00 WAT1 ATOM 5304 H2 TIP3 1108 28.539 -14.706 22.504 0.00 0.00 WAT1 ATOM 5305 OH2 TIP3 1109 29.704 -14.190 13.446 0.00 0.00 WAT1 ATOM 5306 H1 TIP3 1109 29.924 -13.718 12.643 0.00 0.00 WAT1 ATOM 5307 H2 TIP3 1109 30.262 -13.795 14.117 0.00 0.00 WAT1 ATOM 5308 OH2 TIP3 1110 27.373 -2.059 12.309 0.00 0.00 WAT1 ATOM 5309 H1 TIP3 1110 26.556 -1.562 12.362 0.00 0.00 WAT1 ATOM 5310 H2 TIP3 1110 27.902 -1.584 11.669 0.00 0.00 WAT1 ATOM 5311 OH2 TIP3 1111 26.904 -12.462 14.281 0.00 0.00 WAT1 ATOM 5312 H1 TIP3 1111 27.716 -11.958 14.327 0.00 0.00 WAT1 ATOM 5313 H2 TIP3 1111 26.659 -12.607 15.195 0.00 0.00 WAT1 ATOM 5314 OH2 TIP3 1112 27.788 -15.381 15.219 0.00 0.00 WAT1 ATOM 5315 H1 TIP3 1112 27.441 -14.763 15.864 0.00 0.00 WAT1 ATOM 5316 H2 TIP3 1112 28.446 -14.880 14.738 0.00 0.00 WAT1 ATOM 5317 OH2 TIP3 1113 24.711 -1.016 12.291 0.00 0.00 WAT1 ATOM 5318 H1 TIP3 1113 24.872 -0.216 11.790 0.00 0.00 WAT1 ATOM 5319 H2 TIP3 1113 24.514 -0.709 13.176 0.00 0.00 WAT1 ATOM 5320 OH2 TIP3 1114 19.758 -2.504 14.917 0.00 0.00 WAT1 ATOM 5321 H1 TIP3 1114 18.926 -2.031 14.944 0.00 0.00 WAT1 ATOM 5322 H2 TIP3 1114 20.304 -1.994 14.318 0.00 0.00 WAT1 ATOM 5323 OH2 TIP3 1115 23.644 -0.972 27.867 0.00 0.00 WAT1 ATOM 5324 H1 TIP3 1115 24.412 -1.431 28.208 0.00 0.00 WAT1 ATOM 5325 H2 TIP3 1115 23.623 -1.198 26.937 0.00 0.00 WAT1 ATOM 5326 OH2 TIP3 1116 27.736 -1.464 9.242 0.00 0.00 WAT1 ATOM 5327 H1 TIP3 1116 27.092 -2.095 9.564 0.00 0.00 WAT1 ATOM 5328 H2 TIP3 1116 28.498 -1.995 9.010 0.00 0.00 WAT1 ATOM 5329 OH2 TIP3 1117 18.954 -6.081 27.201 0.00 0.00 WAT1 ATOM 5330 H1 TIP3 1117 19.098 -6.983 26.915 0.00 0.00 WAT1 ATOM 5331 H2 TIP3 1117 18.181 -5.795 26.713 0.00 0.00 WAT1 ATOM 5332 OH2 TIP3 1118 28.647 -4.690 9.069 0.00 0.00 WAT1 ATOM 5333 H1 TIP3 1118 28.379 -4.510 9.970 0.00 0.00 WAT1 ATOM 5334 H2 TIP3 1118 28.441 -5.616 8.938 0.00 0.00 WAT1 ATOM 5335 OH2 TIP3 1119 31.344 -6.195 24.017 0.00 0.00 WAT1 ATOM 5336 H1 TIP3 1119 32.089 -5.607 23.897 0.00 0.00 WAT1 ATOM 5337 H2 TIP3 1119 30.587 -5.613 24.080 0.00 0.00 WAT1 ATOM 5338 OH2 TIP3 1120 28.753 -7.401 27.273 0.00 0.00 WAT1 ATOM 5339 H1 TIP3 1120 29.706 -7.317 27.245 0.00 0.00 WAT1 ATOM 5340 H2 TIP3 1120 28.593 -8.112 27.892 0.00 0.00 WAT1 ATOM 5341 OH2 TIP3 1121 30.483 -10.893 27.838 0.00 0.00 WAT1 ATOM 5342 H1 TIP3 1121 30.675 -11.824 27.727 0.00 0.00 WAT1 ATOM 5343 H2 TIP3 1121 31.340 -10.468 27.828 0.00 0.00 WAT1 ATOM 5344 OH2 TIP3 1122 31.799 -8.104 25.916 0.00 0.00 WAT1 ATOM 5345 H1 TIP3 1122 31.518 -7.395 25.338 0.00 0.00 WAT1 ATOM 5346 H2 TIP3 1122 32.742 -8.177 25.765 0.00 0.00 WAT1 ATOM 5347 OH2 TIP3 1123 25.291 -16.691 23.002 0.00 0.00 WAT1 ATOM 5348 H1 TIP3 1123 25.193 -15.744 22.896 0.00 0.00 WAT1 ATOM 5349 H2 TIP3 1123 24.548 -17.063 22.526 0.00 0.00 WAT1 ATOM 5350 OH2 TIP3 1124 26.555 -12.369 26.565 0.00 0.00 WAT1 ATOM 5351 H1 TIP3 1124 26.319 -12.589 27.467 0.00 0.00 WAT1 ATOM 5352 H2 TIP3 1124 25.772 -12.576 26.056 0.00 0.00 WAT1 ATOM 5353 OH2 TIP3 1125 29.271 -13.242 25.641 0.00 0.00 WAT1 ATOM 5354 H1 TIP3 1125 28.323 -13.210 25.773 0.00 0.00 WAT1 ATOM 5355 H2 TIP3 1125 29.583 -13.867 26.295 0.00 0.00 WAT1 ATOM 5356 OH2 TIP3 1126 25.513 -17.397 25.673 0.00 0.00 WAT1 ATOM 5357 H1 TIP3 1126 26.225 -18.037 25.659 0.00 0.00 WAT1 ATOM 5358 H2 TIP3 1126 25.412 -17.130 24.759 0.00 0.00 WAT1 ATOM 5359 OH2 TIP3 1127 25.866 -15.714 27.727 0.00 0.00 WAT1 ATOM 5360 H1 TIP3 1127 25.735 -16.190 26.906 0.00 0.00 WAT1 ATOM 5361 H2 TIP3 1127 25.267 -14.970 27.671 0.00 0.00 WAT1 ATOM 5362 OH2 TIP3 1128 25.413 1.169 10.903 0.00 0.00 WAT1 ATOM 5363 H1 TIP3 1128 26.346 1.327 11.047 0.00 0.00 WAT1 ATOM 5364 H2 TIP3 1128 25.149 1.844 10.278 0.00 0.00 WAT1 ATOM 5365 OH2 TIP3 1129 17.630 1.198 15.463 0.00 0.00 WAT1 ATOM 5366 H1 TIP3 1129 16.983 0.736 14.930 0.00 0.00 WAT1 ATOM 5367 H2 TIP3 1129 17.985 0.526 16.046 0.00 0.00 WAT1 ATOM 5368 OH2 TIP3 1130 18.500 -0.721 17.268 0.00 0.00 WAT1 ATOM 5369 H1 TIP3 1130 18.166 -1.602 17.440 0.00 0.00 WAT1 ATOM 5370 H2 TIP3 1130 18.722 -0.376 18.132 0.00 0.00 WAT1 ATOM 5371 OH2 TIP3 1131 20.172 -2.893 26.363 0.00 0.00 WAT1 ATOM 5372 H1 TIP3 1131 19.351 -2.718 25.903 0.00 0.00 WAT1 ATOM 5373 H2 TIP3 1131 19.920 -2.966 27.284 0.00 0.00 WAT1 ATOM 5374 OH2 TIP3 1132 23.126 -1.918 22.622 0.00 0.00 WAT1 ATOM 5375 H1 TIP3 1132 22.701 -1.109 22.339 0.00 0.00 WAT1 ATOM 5376 H2 TIP3 1132 24.031 -1.833 22.320 0.00 0.00 WAT1 ATOM 5377 OH2 TIP3 1133 27.437 -0.519 25.581 0.00 0.00 WAT1 ATOM 5378 H1 TIP3 1133 27.622 -0.853 26.459 0.00 0.00 WAT1 ATOM 5379 H2 TIP3 1133 28.284 -0.210 25.259 0.00 0.00 WAT1 ATOM 5380 OH2 TIP3 1134 28.130 -15.195 18.228 0.00 0.00 WAT1 ATOM 5381 H1 TIP3 1134 27.455 -15.824 18.483 0.00 0.00 WAT1 ATOM 5382 H2 TIP3 1134 28.694 -15.679 17.625 0.00 0.00 WAT1 ATOM 5383 OH2 TIP3 1135 30.593 -16.604 17.512 0.00 0.00 WAT1 ATOM 5384 H1 TIP3 1135 30.669 -16.509 16.563 0.00 0.00 WAT1 ATOM 5385 H2 TIP3 1135 30.317 -17.512 17.641 0.00 0.00 WAT1 ATOM 5386 OH2 TIP3 1136 26.180 -14.554 12.753 0.00 0.00 WAT1 ATOM 5387 H1 TIP3 1136 26.358 -15.200 13.436 0.00 0.00 WAT1 ATOM 5388 H2 TIP3 1136 26.126 -13.720 13.220 0.00 0.00 WAT1 ATOM 5389 OH2 TIP3 1137 28.058 0.395 11.148 0.00 0.00 WAT1 ATOM 5390 H1 TIP3 1137 28.924 0.761 10.970 0.00 0.00 WAT1 ATOM 5391 H2 TIP3 1137 27.811 -0.045 10.335 0.00 0.00 WAT1 ATOM 5392 OH2 TIP3 1138 22.387 -16.696 27.103 0.00 0.00 WAT1 ATOM 5393 H1 TIP3 1138 23.286 -16.970 26.918 0.00 0.00 WAT1 ATOM 5394 H2 TIP3 1138 22.001 -17.439 27.567 0.00 0.00 WAT1 ATOM 5395 OH2 TIP3 1139 18.370 -10.425 33.804 0.00 0.00 WAT1 ATOM 5396 H1 TIP3 1139 17.922 -9.579 33.786 0.00 0.00 WAT1 ATOM 5397 H2 TIP3 1139 17.809 -11.005 33.289 0.00 0.00 WAT1 ATOM 5398 OH2 TIP3 1140 19.080 -8.263 35.930 0.00 0.00 WAT1 ATOM 5399 H1 TIP3 1140 19.294 -9.033 36.457 0.00 0.00 WAT1 ATOM 5400 H2 TIP3 1140 19.818 -8.174 35.327 0.00 0.00 WAT1 ATOM 5401 OH2 TIP3 1141 23.153 -13.222 36.289 0.00 0.00 WAT1 ATOM 5402 H1 TIP3 1141 23.196 -12.362 35.871 0.00 0.00 WAT1 ATOM 5403 H2 TIP3 1141 22.695 -13.774 35.656 0.00 0.00 WAT1 ATOM 5404 OH2 TIP3 1142 19.773 -10.825 37.051 0.00 0.00 WAT1 ATOM 5405 H1 TIP3 1142 20.427 -11.375 37.483 0.00 0.00 WAT1 ATOM 5406 H2 TIP3 1142 19.797 -11.099 36.135 0.00 0.00 WAT1 ATOM 5407 OH2 TIP3 1143 21.557 -12.412 38.316 0.00 0.00 WAT1 ATOM 5408 H1 TIP3 1143 22.170 -11.779 38.689 0.00 0.00 WAT1 ATOM 5409 H2 TIP3 1143 22.069 -12.884 37.659 0.00 0.00 WAT1 ATOM 5410 OH2 TIP3 1144 19.061 -4.993 32.220 0.00 0.00 WAT1 ATOM 5411 H1 TIP3 1144 18.789 -4.764 31.331 0.00 0.00 WAT1 ATOM 5412 H2 TIP3 1144 19.106 -4.155 32.680 0.00 0.00 WAT1 ATOM 5413 OH2 TIP3 1145 28.310 -9.703 29.355 0.00 0.00 WAT1 ATOM 5414 H1 TIP3 1145 29.011 -9.681 30.006 0.00 0.00 WAT1 ATOM 5415 H2 TIP3 1145 28.612 -10.331 28.699 0.00 0.00 WAT1 ATOM 5416 OH2 TIP3 1146 22.297 -8.251 32.740 0.00 0.00 WAT1 ATOM 5417 H1 TIP3 1146 22.005 -7.483 32.249 0.00 0.00 WAT1 ATOM 5418 H2 TIP3 1146 21.623 -8.911 32.577 0.00 0.00 WAT1 ATOM 5419 OH2 TIP3 1147 23.258 -16.095 38.594 0.00 0.00 WAT1 ATOM 5420 H1 TIP3 1147 22.397 -16.182 38.186 0.00 0.00 WAT1 ATOM 5421 H2 TIP3 1147 23.236 -15.239 39.021 0.00 0.00 WAT1 ATOM 5422 OH2 TIP3 1148 27.583 -13.880 29.253 0.00 0.00 WAT1 ATOM 5423 H1 TIP3 1148 27.329 -13.861 30.176 0.00 0.00 WAT1 ATOM 5424 H2 TIP3 1148 27.326 -14.752 28.952 0.00 0.00 WAT1 ATOM 5425 OH2 TIP3 1149 23.346 -10.908 34.601 0.00 0.00 WAT1 ATOM 5426 H1 TIP3 1149 22.453 -11.249 34.542 0.00 0.00 WAT1 ATOM 5427 H2 TIP3 1149 23.797 -11.285 33.845 0.00 0.00 WAT1 ATOM 5428 OH2 TIP3 1150 24.465 -13.435 28.354 0.00 0.00 WAT1 ATOM 5429 H1 TIP3 1150 24.034 -13.880 29.084 0.00 0.00 WAT1 ATOM 5430 H2 TIP3 1150 23.747 -13.063 27.842 0.00 0.00 WAT1 ATOM 5431 OH2 TIP3 1151 17.707 -13.693 35.406 0.00 0.00 WAT1 ATOM 5432 H1 TIP3 1151 18.338 -13.722 36.126 0.00 0.00 WAT1 ATOM 5433 H2 TIP3 1151 18.157 -14.118 34.676 0.00 0.00 WAT1 ATOM 5434 OH2 TIP3 1152 25.928 -13.481 35.687 0.00 0.00 WAT1 ATOM 5435 H1 TIP3 1152 25.017 -13.424 35.976 0.00 0.00 WAT1 ATOM 5436 H2 TIP3 1152 26.433 -13.541 36.498 0.00 0.00 WAT1 ATOM 5437 OH2 TIP3 1153 20.756 -11.852 34.514 0.00 0.00 WAT1 ATOM 5438 H1 TIP3 1153 19.867 -11.752 34.174 0.00 0.00 WAT1 ATOM 5439 H2 TIP3 1153 21.052 -12.694 34.168 0.00 0.00 WAT1 ATOM 5440 OH2 TIP3 1154 24.409 -11.852 32.170 0.00 0.00 WAT1 ATOM 5441 H1 TIP3 1154 25.341 -11.723 32.348 0.00 0.00 WAT1 ATOM 5442 H2 TIP3 1154 24.194 -11.182 31.521 0.00 0.00 WAT1 ATOM 5443 OH2 TIP3 1155 26.418 -6.092 31.673 0.00 0.00 WAT1 ATOM 5444 H1 TIP3 1155 25.674 -6.599 31.350 0.00 0.00 WAT1 ATOM 5445 H2 TIP3 1155 26.284 -6.043 32.619 0.00 0.00 WAT1 ATOM 5446 OH2 TIP3 1156 25.698 -3.327 27.960 0.00 0.00 WAT1 ATOM 5447 H1 TIP3 1156 25.937 -4.075 27.412 0.00 0.00 WAT1 ATOM 5448 H2 TIP3 1156 25.429 -3.715 28.792 0.00 0.00 WAT1 ATOM 5449 OH2 TIP3 1157 24.635 -3.757 30.416 0.00 0.00 WAT1 ATOM 5450 H1 TIP3 1157 24.782 -4.277 31.206 0.00 0.00 WAT1 ATOM 5451 H2 TIP3 1157 24.632 -2.850 30.722 0.00 0.00 WAT1 ATOM 5452 OH2 TIP3 1158 21.088 -6.504 30.926 0.00 0.00 WAT1 ATOM 5453 H1 TIP3 1158 20.402 -6.152 31.493 0.00 0.00 WAT1 ATOM 5454 H2 TIP3 1158 21.611 -5.741 30.680 0.00 0.00 WAT1 ATOM 5455 OH2 TIP3 1159 26.904 -12.462 33.137 0.00 0.00 WAT1 ATOM 5456 H1 TIP3 1159 27.716 -11.958 33.183 0.00 0.00 WAT1 ATOM 5457 H2 TIP3 1159 26.659 -12.607 34.051 0.00 0.00 WAT1 ATOM 5458 OH2 TIP3 1160 21.704 -3.890 29.823 0.00 0.00 WAT1 ATOM 5459 H1 TIP3 1160 22.296 -3.191 30.099 0.00 0.00 WAT1 ATOM 5460 H2 TIP3 1160 22.163 -4.323 29.104 0.00 0.00 WAT1 ATOM 5461 OH2 TIP3 1161 20.828 -16.444 37.612 0.00 0.00 WAT1 ATOM 5462 H1 TIP3 1161 20.599 -16.385 36.685 0.00 0.00 WAT1 ATOM 5463 H2 TIP3 1161 20.385 -17.236 37.919 0.00 0.00 WAT1 ATOM 5464 OH2 TIP3 1162 23.295 -5.737 28.189 0.00 0.00 WAT1 ATOM 5465 H1 TIP3 1162 23.359 -6.531 28.720 0.00 0.00 WAT1 ATOM 5466 H2 TIP3 1162 23.948 -5.856 27.500 0.00 0.00 WAT1 ATOM 5467 OH2 TIP3 1163 28.647 -4.690 27.925 0.00 0.00 WAT1 ATOM 5468 H1 TIP3 1163 28.379 -4.510 28.826 0.00 0.00 WAT1 ATOM 5469 H2 TIP3 1163 28.441 -5.616 27.794 0.00 0.00 WAT1 ATOM 5470 OH2 TIP3 1164 24.444 -7.765 30.495 0.00 0.00 WAT1 ATOM 5471 H1 TIP3 1164 23.985 -8.249 31.181 0.00 0.00 WAT1 ATOM 5472 H2 TIP3 1164 24.699 -8.433 29.859 0.00 0.00 WAT1 ATOM 5473 OH2 TIP3 1165 25.515 -9.522 28.758 0.00 0.00 WAT1 ATOM 5474 H1 TIP3 1165 25.335 -9.676 27.830 0.00 0.00 WAT1 ATOM 5475 H2 TIP3 1165 26.466 -9.414 28.802 0.00 0.00 WAT1 ATOM 5476 OH2 TIP3 1166 18.981 -4.195 29.242 0.00 0.00 WAT1 ATOM 5477 H1 TIP3 1166 19.895 -4.116 29.515 0.00 0.00 WAT1 ATOM 5478 H2 TIP3 1166 18.988 -4.882 28.575 0.00 0.00 WAT1 ATOM 5479 OH2 TIP3 1167 19.399 -14.063 37.607 0.00 0.00 WAT1 ATOM 5480 H1 TIP3 1167 19.844 -14.855 37.909 0.00 0.00 WAT1 ATOM 5481 H2 TIP3 1167 19.865 -13.347 38.038 0.00 0.00 WAT1 ATOM 5482 OH2 TIP3 1168 25.036 -16.634 34.719 0.00 0.00 WAT1 ATOM 5483 H1 TIP3 1168 25.910 -16.246 34.689 0.00 0.00 WAT1 ATOM 5484 H2 TIP3 1168 24.900 -16.849 35.642 0.00 0.00 WAT1 ATOM 5485 OH2 TIP3 1169 26.180 -14.554 31.609 0.00 0.00 WAT1 ATOM 5486 H1 TIP3 1169 26.358 -15.200 32.292 0.00 0.00 WAT1 ATOM 5487 H2 TIP3 1169 26.126 -13.720 32.076 0.00 0.00 WAT1 ATOM 5488 OH2 TIP3 1170 20.185 5.273 4.603 0.00 0.00 WAT1 ATOM 5489 H1 TIP3 1170 19.292 5.612 4.536 0.00 0.00 WAT1 ATOM 5490 H2 TIP3 1170 20.086 4.418 5.021 0.00 0.00 WAT1 ATOM 5491 OH2 TIP3 1171 25.291 2.165 4.146 0.00 0.00 WAT1 ATOM 5492 H1 TIP3 1171 25.193 3.112 4.040 0.00 0.00 WAT1 ATOM 5493 H2 TIP3 1171 24.548 1.793 3.670 0.00 0.00 WAT1 ATOM 5494 OH2 TIP3 1172 20.732 5.458 7.838 0.00 0.00 WAT1 ATOM 5495 H1 TIP3 1172 20.943 4.751 7.227 0.00 0.00 WAT1 ATOM 5496 H2 TIP3 1172 20.620 5.020 8.682 0.00 0.00 WAT1 ATOM 5497 OH2 TIP3 1173 25.513 1.459 6.817 0.00 0.00 WAT1 ATOM 5498 H1 TIP3 1173 26.225 0.819 6.803 0.00 0.00 WAT1 ATOM 5499 H2 TIP3 1173 25.412 1.726 5.903 0.00 0.00 WAT1 ATOM 5500 OH2 TIP3 1174 25.866 3.142 8.871 0.00 0.00 WAT1 ATOM 5501 H1 TIP3 1174 25.735 2.666 8.050 0.00 0.00 WAT1 ATOM 5502 H2 TIP3 1174 25.267 3.886 8.815 0.00 0.00 WAT1 ATOM 5503 OH2 TIP3 1175 18.178 6.481 7.004 0.00 0.00 WAT1 ATOM 5504 H1 TIP3 1175 19.097 6.359 7.240 0.00 0.00 WAT1 ATOM 5505 H2 TIP3 1175 17.728 5.731 7.393 0.00 0.00 WAT1 ATOM 5506 OH2 TIP3 1176 17.980 2.788 3.363 0.00 0.00 WAT1 ATOM 5507 H1 TIP3 1176 17.315 2.542 4.006 0.00 0.00 WAT1 ATOM 5508 H2 TIP3 1176 17.537 3.410 2.786 0.00 0.00 WAT1 ATOM 5509 OH2 TIP3 1177 20.414 2.809 6.711 0.00 0.00 WAT1 ATOM 5510 H1 TIP3 1177 20.048 2.044 7.154 0.00 0.00 WAT1 ATOM 5511 H2 TIP3 1177 21.327 2.838 6.998 0.00 0.00 WAT1 ATOM 5512 OH2 TIP3 1178 24.465 5.421 9.498 0.00 0.00 WAT1 ATOM 5513 H1 TIP3 1178 24.034 4.976 10.228 0.00 0.00 WAT1 ATOM 5514 H2 TIP3 1178 23.747 5.793 8.986 0.00 0.00 WAT1 ATOM 5515 OH2 TIP3 1179 17.707 5.163 16.550 0.00 0.00 WAT1 ATOM 5516 H1 TIP3 1179 18.338 5.134 17.270 0.00 0.00 WAT1 ATOM 5517 H2 TIP3 1179 18.157 4.738 15.820 0.00 0.00 WAT1 ATOM 5518 OH2 TIP3 1180 18.982 5.909 11.974 0.00 0.00 WAT1 ATOM 5519 H1 TIP3 1180 19.456 6.500 11.389 0.00 0.00 WAT1 ATOM 5520 H2 TIP3 1180 18.264 6.440 12.321 0.00 0.00 WAT1 ATOM 5521 OH2 TIP3 1181 22.250 4.299 15.136 0.00 0.00 WAT1 ATOM 5522 H1 TIP3 1181 21.933 3.397 15.101 0.00 0.00 WAT1 ATOM 5523 H2 TIP3 1181 23.031 4.301 14.584 0.00 0.00 WAT1 ATOM 5524 OH2 TIP3 1182 23.445 4.538 11.907 0.00 0.00 WAT1 ATOM 5525 H1 TIP3 1182 23.362 5.427 12.253 0.00 0.00 WAT1 ATOM 5526 H2 TIP3 1182 24.335 4.273 12.138 0.00 0.00 WAT1 ATOM 5527 OH2 TIP3 1183 20.020 7.630 10.083 0.00 0.00 WAT1 ATOM 5528 H1 TIP3 1183 19.975 8.569 10.262 0.00 0.00 WAT1 ATOM 5529 H2 TIP3 1183 19.132 7.394 9.813 0.00 0.00 WAT1 ATOM 5530 OH2 TIP3 1184 18.016 4.050 13.875 0.00 0.00 WAT1 ATOM 5531 H1 TIP3 1184 17.091 4.259 13.745 0.00 0.00 WAT1 ATOM 5532 H2 TIP3 1184 18.470 4.534 13.185 0.00 0.00 WAT1 ATOM 5533 OH2 TIP3 1185 20.456 2.295 16.050 0.00 0.00 WAT1 ATOM 5534 H1 TIP3 1185 19.679 2.061 15.542 0.00 0.00 WAT1 ATOM 5535 H2 TIP3 1185 20.987 1.498 16.058 0.00 0.00 WAT1 ATOM 5536 OH2 TIP3 1186 21.154 4.009 10.296 0.00 0.00 WAT1 ATOM 5537 H1 TIP3 1186 21.645 3.379 9.768 0.00 0.00 WAT1 ATOM 5538 H2 TIP3 1186 21.777 4.305 10.959 0.00 0.00 WAT1 ATOM 5539 OH2 TIP3 1187 26.180 4.302 12.753 0.00 0.00 WAT1 ATOM 5540 H1 TIP3 1187 26.358 3.656 13.436 0.00 0.00 WAT1 ATOM 5541 H2 TIP3 1187 26.126 5.136 13.220 0.00 0.00 WAT1 END