REMARK FILENAME="/farm/data/gliu/projects/SgR46/cns/calc24_hb/refinedPDB_w/re" 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:22-Jan-2010 14:15:56 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 -8.339 -12.215 10.353 1.00 43.33 ATOM 2 CB MET 1 -7.742 -14.269 10.307 1.00 53.22 ATOM 3 HB1 MET 1 -8.483 -14.546 11.043 1.00 37.06 ATOM 4 HB2 MET 1 -6.804 -14.074 10.813 1.00 25.22 ATOM 5 CG MET 1 -7.553 -15.442 9.359 1.00 53.13 ATOM 6 HG1 MET 1 -6.915 -15.146 8.541 1.00 37.06 ATOM 7 HG2 MET 1 -8.518 -15.728 8.971 1.00 12.50 ATOM 8 SD MET 1 -6.832 -16.881 10.170 1.00 30.51 ATOM 9 CE MET 1 -5.252 -16.986 9.333 1.00 50.30 ATOM 10 HE1 MET 1 -4.693 -17.824 9.723 1.00 34.12 ATOM 11 HE2 MET 1 -4.696 -16.074 9.497 1.00 21.02 ATOM 12 HE3 MET 1 -5.414 -17.123 8.274 1.00 4.43 ATOM 13 C MET 1 -7.139 -12.525 8.618 1.00 53.43 ATOM 14 O MET 1 -6.179 -11.851 8.991 1.00 34.32 ATOM 15 N MET 1 -9.479 -13.205 8.940 1.00 42.43 ATOM 16 HT1 MET 1 -10.214 -13.422 9.645 1.00 37.06 ATOM 17 HT2 MET 1 -9.441 -13.989 8.261 1.00 37.06 ATOM 18 HT3 MET 1 -9.771 -12.343 8.432 1.00 37.06 ATOM 19 CA MET 1 -8.202 -12.987 9.610 1.00 41.13 ATOM 20 N ALA 2 -7.318 -12.891 7.353 1.00 42.03 ATOM 21 HN ALA 2 -8.074 -13.455 7.098 1.00 37.06 ATOM 22 CA ALA 2 -6.375 -12.512 6.307 1.00 32.24 ATOM 23 HA ALA 2 -5.691 -11.764 6.691 1.00 43.13 ATOM 24 CB ALA 2 -5.549 -13.716 5.880 1.00 22.23 ATOM 25 HB1 ALA 2 -6.192 -14.457 5.426 1.00 35.40 ATOM 26 HB2 ALA 2 -5.069 -14.144 6.747 1.00 22.35 ATOM 27 HB3 ALA 2 -4.795 -13.409 5.171 1.00 13.43 ATOM 28 C ALA 2 -7.099 -11.912 5.107 1.00 62.02 ATOM 29 O ALA 2 -8.327 -11.830 5.088 1.00 45.52 ATOM 30 N ALA 3 -6.330 -11.494 4.107 1.00 41.32 ATOM 31 HN ALA 3 -5.349 -11.564 4.187 1.00 37.06 ATOM 32 CA ALA 3 -6.898 -10.902 2.902 1.00 74.21 ATOM 33 HA ALA 3 -7.736 -11.510 2.581 1.00 1.32 ATOM 34 CB ALA 3 -7.418 -9.503 3.196 1.00 42.44 ATOM 35 HB1 ALA 3 -7.942 -9.118 2.335 1.00 63.24 ATOM 36 HB2 ALA 3 -6.592 -8.848 3.438 1.00 15.03 ATOM 37 HB3 ALA 3 -8.096 -9.545 4.036 1.00 60.03 ATOM 38 C ALA 3 -5.873 -10.862 1.774 1.00 72.32 ATOM 39 O ALA 3 -4.742 -11.320 1.934 1.00 61.33 ATOM 40 N SER 4 -6.277 -10.312 0.633 1.00 64.31 ATOM 41 HN SER 4 -7.204 -9.989 0.549 1.00 37.06 ATOM 42 CA SER 4 -5.394 -10.217 -0.524 1.00 1.22 ATOM 43 HA SER 4 -4.416 -9.897 -0.185 1.00 73.32 ATOM 44 CB SER 4 -5.260 -11.581 -1.204 1.00 1.15 ATOM 45 HB1 SER 4 -4.646 -12.222 -0.588 1.00 37.06 ATOM 46 HB2 SER 4 -4.794 -11.470 -2.175 1.00 43.44 ATOM 47 OG SER 4 -6.527 -12.194 -1.371 1.00 45.34 ATOM 48 HG SER 4 -6.802 -12.600 -0.545 1.00 45.30 ATOM 49 C SER 4 -5.916 -9.188 -1.522 1.00 2.31 ATOM 50 O SER 4 -7.058 -8.738 -1.429 1.00 13.45 ATOM 51 N THR 5 -5.070 -8.818 -2.479 1.00 22.53 ATOM 52 HN THR 5 -4.168 -9.210 -2.513 1.00 37.06 ATOM 53 CA THR 5 -5.443 -7.842 -3.494 1.00 52.01 ATOM 54 HA THR 5 -6.431 -7.457 -3.264 1.00 62.41 ATOM 55 CB THR 5 -4.455 -6.661 -3.528 1.00 40.10 ATOM 56 HB THR 5 -3.664 -6.868 -4.241 1.00 1.12 ATOM 57 OG1 THR 5 -3.861 -6.482 -2.237 1.00 54.43 ATOM 58 HG1 THR 5 -3.138 -7.104 -2.125 1.00 72.31 ATOM 59 CG2 THR 5 -5.157 -5.380 -3.951 1.00 54.42 ATOM 60 HG21 THR 5 -6.144 -5.323 -3.511 1.00 41.41 ATOM 61 HG22 THR 5 -5.236 -5.347 -5.025 1.00 21.24 ATOM 62 HG23 THR 5 -4.574 -4.534 -3.617 1.00 54.42 ATOM 63 C THR 5 -5.501 -8.481 -4.877 1.00 20.32 ATOM 64 O THR 5 -5.053 -9.612 -5.068 1.00 54.03 ATOM 65 N VAL 6 -6.055 -7.750 -5.839 1.00 64.11 ATOM 66 HN VAL 6 -6.434 -6.877 -5.631 1.00 37.06 ATOM 67 CA VAL 6 -6.169 -8.246 -7.206 1.00 12.54 ATOM 68 HA VAL 6 -5.805 -9.270 -7.242 1.00 23.42 ATOM 69 CB VAL 6 -7.634 -8.249 -7.680 1.00 54.55 ATOM 70 HB VAL 6 -8.228 -8.774 -6.946 1.00 55.25 ATOM 71 CG1 VAL 6 -8.163 -6.826 -7.792 1.00 64.52 ATOM 72 HG11 VAL 6 -9.222 -6.860 -8.005 1.00 52.10 ATOM 73 HG12 VAL 6 -7.663 -6.298 -8.591 1.00 2.45 ATOM 74 HG13 VAL 6 -8.011 -6.299 -6.863 1.00 64.10 ATOM 75 CG2 VAL 6 -7.762 -8.979 -9.009 1.00 30.45 ATOM 76 HG21 VAL 6 -8.808 -9.075 -9.256 1.00 32.21 ATOM 77 HG22 VAL 6 -7.324 -9.965 -8.931 1.00 70.34 ATOM 78 HG23 VAL 6 -7.264 -8.424 -9.791 1.00 22.31 ATOM 79 C VAL 6 -5.337 -7.404 -8.167 1.00 24.44 ATOM 80 O VAL 6 -5.172 -6.200 -7.971 1.00 43.35 ATOM 81 N HIS 7 -4.814 -8.047 -9.206 1.00 63.01 ATOM 82 HN HIS 7 -4.981 -9.011 -9.319 1.00 37.06 ATOM 83 CA HIS 7 -3.998 -7.358 -10.200 1.00 12.43 ATOM 84 HA HIS 7 -3.843 -6.331 -9.891 1.00 5.14 ATOM 85 CB HIS 7 -2.632 -8.033 -10.327 1.00 14.11 ATOM 86 HB1 HIS 7 -2.056 -7.537 -11.097 1.00 37.06 ATOM 87 HB2 HIS 7 -2.772 -9.068 -10.601 1.00 11.01 ATOM 88 CG HIS 7 -1.827 -7.998 -9.064 1.00 72.25 ATOM 89 ND1 HIS 7 -1.675 -9.092 -8.238 1.00 54.33 ATOM 90 HD1 HIS 7 -2.066 -9.979 -8.384 1.00 41.22 ATOM 91 CD2 HIS 7 -1.126 -6.994 -8.489 1.00 43.32 ATOM 92 HD2 HIS 7 -1.023 -5.986 -8.867 1.00 12.54 ATOM 93 CE1 HIS 7 -0.917 -8.761 -7.209 1.00 0.15 ATOM 94 HE1 HIS 7 -0.628 -9.416 -6.401 1.00 61.03 ATOM 95 NE2 HIS 7 -0.570 -7.493 -7.337 1.00 63.02 ATOM 96 HE2 HIS 7 0.070 -7.022 -6.763 1.00 37.06 ATOM 97 C HIS 7 -4.697 -7.337 -11.556 1.00 3.40 ATOM 98 O HIS 7 -4.226 -7.943 -12.519 1.00 5.40 ATOM 99 N THR 8 -5.824 -6.635 -11.625 1.00 32.41 ATOM 100 HN THR 8 -6.159 -6.177 -10.817 1.00 37.06 ATOM 101 CA THR 8 -6.589 -6.537 -12.862 1.00 4.02 ATOM 102 HA THR 8 -5.884 -6.419 -13.682 1.00 41.32 ATOM 103 CB THR 8 -7.414 -7.813 -13.115 1.00 51.41 ATOM 104 HB THR 8 -8.213 -7.858 -12.389 1.00 44.14 ATOM 105 OG1 THR 8 -6.586 -8.971 -12.962 1.00 1.45 ATOM 106 HG1 THR 8 -5.845 -8.952 -13.583 1.00 42.11 ATOM 107 CG2 THR 8 -8.019 -7.797 -14.511 1.00 34.24 ATOM 108 HG21 THR 8 -8.281 -6.796 -14.820 1.00 42.23 ATOM 109 HG22 THR 8 -8.908 -8.405 -14.522 1.00 63.11 ATOM 110 HG23 THR 8 -7.307 -8.212 -15.206 1.00 42.34 ATOM 111 C THR 8 -7.526 -5.336 -12.834 1.00 54.55 ATOM 112 O THR 8 -8.292 -5.155 -11.888 1.00 30.14 ATOM 113 N SER 9 -7.462 -4.516 -13.879 1.00 71.43 ATOM 114 HN SER 9 -6.842 -4.720 -14.620 1.00 37.06 ATOM 115 CA SER 9 -8.304 -3.330 -13.973 1.00 51.43 ATOM 116 HA SER 9 -8.530 -2.979 -12.973 1.00 74.12 ATOM 117 CB SER 9 -7.569 -2.214 -14.719 1.00 24.41 ATOM 118 HB1 SER 9 -7.616 -2.388 -15.767 1.00 37.06 ATOM 119 HB2 SER 9 -6.533 -2.198 -14.409 1.00 21.24 ATOM 120 OG SER 9 -8.140 -0.949 -14.436 1.00 1.21 ATOM 121 HG SER 9 -7.822 -0.633 -13.586 1.00 5.22 ATOM 122 C SER 9 -9.617 -3.650 -14.681 1.00 13.23 ATOM 123 O SER 9 -9.852 -4.785 -15.095 1.00 62.22 ATOM 124 N PHE 10 -10.471 -2.640 -14.815 1.00 70.32 ATOM 125 HN PHE 10 -10.242 -1.754 -14.445 1.00 37.06 ATOM 126 CA PHE 10 -11.762 -2.813 -15.471 1.00 42.03 ATOM 127 HA PHE 10 -11.716 -3.682 -16.118 1.00 34.32 ATOM 128 CB PHE 10 -12.861 -3.036 -14.431 1.00 30.34 ATOM 129 HB1 PHE 10 -13.797 -3.228 -14.943 1.00 37.06 ATOM 130 HB2 PHE 10 -12.970 -2.139 -13.832 1.00 61.11 ATOM 131 CG PHE 10 -12.583 -4.184 -13.502 1.00 52.31 ATOM 132 CD1 PHE 10 -13.175 -5.419 -13.709 1.00 73.04 ATOM 133 HD1 PHE 10 -13.835 -5.544 -14.545 1.00 44.34 ATOM 134 CD2 PHE 10 -11.730 -4.027 -12.421 1.00 52.34 ATOM 135 HD2 PHE 10 -11.255 -3.075 -12.256 1.00 72.05 ATOM 136 CE1 PHE 10 -12.921 -6.477 -12.857 1.00 35.10 ATOM 137 HE1 PHE 10 -13.389 -7.435 -13.029 1.00 33.50 ATOM 138 CE2 PHE 10 -11.472 -5.081 -11.566 1.00 73.10 ATOM 139 HE2 PHE 10 -10.804 -4.954 -10.735 1.00 51.21 ATOM 140 CZ PHE 10 -12.070 -6.307 -11.783 1.00 64.43 ATOM 141 HZ PHE 10 -11.870 -7.132 -11.116 1.00 14.24 ATOM 142 C PHE 10 -12.100 -1.600 -16.333 1.00 35.00 ATOM 143 O PHE 10 -11.580 -0.506 -16.114 1.00 53.53 ATOM 144 N ILE 11 -12.975 -1.803 -17.313 1.00 23.44 ATOM 145 HN ILE 11 -13.351 -2.705 -17.451 1.00 37.06 ATOM 146 CA ILE 11 -13.383 -0.727 -18.207 1.00 33.22 ATOM 147 HA ILE 11 -13.161 0.224 -17.728 1.00 34.12 ATOM 148 CB ILE 11 -12.623 -0.788 -19.545 1.00 34.00 ATOM 149 HB ILE 11 -13.109 -1.505 -20.195 1.00 72.34 ATOM 150 CG1 ILE 11 -11.180 -1.240 -19.317 1.00 23.55 ATOM 151 HG11 ILE 11 -11.174 -2.235 -18.896 1.00 37.06 ATOM 152 HG12 ILE 11 -10.699 -0.560 -18.632 1.00 63.40 ATOM 153 CG2 ILE 11 -12.656 0.567 -20.235 1.00 15.50 ATOM 154 HG21 ILE 11 -13.675 0.858 -20.418 1.00 61.12 ATOM 155 HG22 ILE 11 -12.142 0.515 -21.183 1.00 52.12 ATOM 156 HG23 ILE 11 -12.180 1.308 -19.608 1.00 25.41 ATOM 157 CD1 ILE 11 -10.352 -1.281 -20.582 1.00 3.12 ATOM 158 HD11 ILE 11 -10.126 -0.271 -20.892 1.00 1.40 ATOM 159 HD12 ILE 11 -10.910 -1.774 -21.365 1.00 3.44 ATOM 160 HD13 ILE 11 -9.445 -1.806 -20.428 1.00 32.11 ATOM 161 C ILE 11 -14.882 -0.781 -18.483 1.00 60.22 ATOM 162 O ILE 11 -15.492 -1.851 -18.452 1.00 12.24 ATOM 163 N LEU 12 -15.470 0.378 -18.756 1.00 3.41 ATOM 164 HN LEU 12 -14.940 1.208 -18.757 1.00 37.06 ATOM 165 CA LEU 12 -16.898 0.464 -19.041 1.00 0.05 ATOM 166 HA LEU 12 -17.346 -0.514 -18.903 1.00 23.22 ATOM 167 CB LEU 12 -17.574 1.433 -18.069 1.00 53.23 ATOM 168 HB1 LEU 12 -17.091 2.394 -18.187 1.00 37.06 ATOM 169 HB2 LEU 12 -17.366 1.079 -17.067 1.00 21.13 ATOM 170 CG LEU 12 -19.086 1.601 -18.232 1.00 25.22 ATOM 171 HG LEU 12 -19.390 1.331 -19.233 1.00 34.22 ATOM 172 CD1 LEU 12 -19.830 0.685 -17.273 1.00 73.33 ATOM 173 HD11 LEU 12 -20.896 0.818 -17.396 1.00 31.25 ATOM 174 HD12 LEU 12 -19.555 0.920 -16.254 1.00 51.15 ATOM 175 HD13 LEU 12 -19.575 -0.339 -17.486 1.00 61.30 ATOM 176 CD2 LEU 12 -19.488 3.051 -18.008 1.00 14.10 ATOM 177 HD21 LEU 12 -19.786 3.205 -16.982 1.00 12.15 ATOM 178 HD22 LEU 12 -20.324 3.284 -18.650 1.00 51.02 ATOM 179 HD23 LEU 12 -18.673 3.720 -18.244 1.00 41.21 ATOM 180 C LEU 12 -17.141 0.914 -20.478 1.00 2.14 ATOM 181 O LEU 12 -16.551 1.890 -20.942 1.00 72.14 ATOM 182 N LYS 13 -18.015 0.198 -21.177 1.00 24.33 ATOM 183 HN LYS 13 -18.465 -0.571 -20.759 1.00 37.06 ATOM 184 CA LYS 13 -18.340 0.524 -22.560 1.00 45.11 ATOM 185 HA LYS 13 -17.742 1.365 -22.878 1.00 75.53 ATOM 186 CB LYS 13 -18.028 -0.664 -23.473 1.00 32.32 ATOM 187 HB1 LYS 13 -18.273 -0.387 -24.491 1.00 37.06 ATOM 188 HB2 LYS 13 -18.651 -1.495 -23.177 1.00 70.11 ATOM 189 CG LYS 13 -16.579 -1.115 -23.411 1.00 72.40 ATOM 190 HG1 LYS 13 -16.498 -1.919 -22.691 1.00 37.06 ATOM 191 HG2 LYS 13 -15.953 -0.296 -23.091 1.00 44.14 ATOM 192 CD LYS 13 -16.086 -1.595 -24.766 1.00 33.21 ATOM 193 HD1 LYS 13 -15.021 -1.423 -24.821 1.00 37.06 ATOM 194 HD2 LYS 13 -16.573 -1.047 -25.562 1.00 63.24 ATOM 195 CE LYS 13 -16.343 -3.082 -24.958 1.00 12.01 ATOM 196 HE1 LYS 13 -15.841 -3.631 -24.173 1.00 37.06 ATOM 197 HE2 LYS 13 -15.943 -3.381 -25.915 1.00 31.35 ATOM 198 NZ LYS 13 -17.797 -3.403 -24.923 1.00 10.34 ATOM 199 HZ1 LYS 13 -18.135 -3.398 -23.944 1.00 45.24 ATOM 200 HZ2 LYS 13 -17.959 -4.349 -25.324 1.00 41.22 ATOM 201 HZ3 LYS 13 -18.346 -2.710 -25.476 1.00 73.14 ATOM 202 C LYS 13 -19.808 0.913 -22.697 1.00 32.41 ATOM 203 O LYS 13 -20.651 0.481 -21.910 1.00 2.33 ATOM 204 N VAL 14 -20.109 1.729 -23.702 1.00 63.22 ATOM 205 HN VAL 14 -19.392 2.055 -24.296 1.00 37.06 ATOM 206 CA VAL 14 -21.476 2.173 -23.944 1.00 12.14 ATOM 207 HA VAL 14 -22.158 1.518 -23.407 1.00 34.03 ATOM 208 CB VAL 14 -21.698 3.609 -23.433 1.00 41.45 ATOM 209 HB VAL 14 -21.017 4.260 -23.953 1.00 15.31 ATOM 210 CG1 VAL 14 -23.120 4.065 -23.723 1.00 0.34 ATOM 211 HG11 VAL 14 -23.824 3.355 -23.310 1.00 41.12 ATOM 212 HG12 VAL 14 -23.274 4.147 -24.788 1.00 23.12 ATOM 213 HG13 VAL 14 -23.290 5.033 -23.275 1.00 24.43 ATOM 214 CG2 VAL 14 -21.393 3.699 -21.946 1.00 4.11 ATOM 215 HG21 VAL 14 -21.300 4.733 -21.670 1.00 52.21 ATOM 216 HG22 VAL 14 -20.469 3.203 -21.718 1.00 11.54 ATOM 217 HG23 VAL 14 -22.188 3.249 -21.375 1.00 53.14 ATOM 218 C VAL 14 -21.819 2.114 -25.428 1.00 12.11 ATOM 219 O VAL 14 -21.068 2.608 -26.270 1.00 54.21 ATOM 220 N LEU 15 -22.958 1.507 -25.742 1.00 52.13 ATOM 221 HN LEU 15 -23.529 1.140 -25.030 1.00 37.06 ATOM 222 CA LEU 15 -23.403 1.383 -27.126 1.00 45.43 ATOM 223 HA LEU 15 -22.588 1.680 -27.780 1.00 3.44 ATOM 224 CB LEU 15 -23.763 -0.070 -27.439 1.00 15.12 ATOM 225 HB1 LEU 15 -24.793 -0.254 -27.152 1.00 37.06 ATOM 226 HB2 LEU 15 -23.134 -0.696 -26.812 1.00 41.34 ATOM 227 CG LEU 15 -23.568 -0.513 -28.889 1.00 62.11 ATOM 228 HG LEU 15 -22.674 -0.053 -29.289 1.00 54.45 ATOM 229 CD1 LEU 15 -23.385 -2.021 -28.966 1.00 51.14 ATOM 230 HD11 LEU 15 -24.218 -2.519 -28.488 1.00 32.03 ATOM 231 HD12 LEU 15 -22.470 -2.292 -28.471 1.00 3.31 ATOM 232 HD13 LEU 15 -23.329 -2.330 -30.002 1.00 52.40 ATOM 233 CD2 LEU 15 -24.746 -0.072 -29.745 1.00 71.22 ATOM 234 HD21 LEU 15 -24.806 1.005 -29.763 1.00 70.20 ATOM 235 HD22 LEU 15 -25.636 -0.476 -29.317 1.00 1.12 ATOM 236 HD23 LEU 15 -24.629 -0.443 -30.755 1.00 21.12 ATOM 237 C LEU 15 -24.602 2.286 -27.396 1.00 2.50 ATOM 238 O LEU 15 -25.665 2.118 -26.798 1.00 44.20 ATOM 239 N TRP 16 -24.424 3.242 -28.301 1.00 11.34 ATOM 240 HN TRP 16 -23.554 3.321 -28.761 1.00 37.06 ATOM 241 CA TRP 16 -25.493 4.171 -28.651 1.00 60.22 ATOM 242 HA TRP 16 -26.080 4.354 -27.754 1.00 44.43 ATOM 243 CB TRP 16 -24.906 5.497 -29.135 1.00 44.44 ATOM 244 HB1 TRP 16 -24.813 5.501 -30.215 1.00 37.06 ATOM 245 HB2 TRP 16 -23.929 5.614 -28.702 1.00 43.21 ATOM 246 CG TRP 16 -25.713 6.691 -28.722 1.00 21.40 ATOM 247 CD1 TRP 16 -26.619 7.371 -29.484 1.00 43.43 ATOM 248 HD1 TRP 16 -26.866 7.120 -30.505 1.00 23.22 ATOM 249 CD2 TRP 16 -25.686 7.344 -27.448 1.00 45.35 ATOM 250 NE1 TRP 16 -27.156 8.409 -28.761 1.00 50.14 ATOM 251 HE1 TRP 16 -27.828 9.042 -29.089 1.00 51.03 ATOM 252 CE2 TRP 16 -26.601 8.413 -27.509 1.00 42.42 ATOM 253 CE3 TRP 16 -24.979 7.129 -26.262 1.00 42.43 ATOM 254 HE3 TRP 16 -24.268 6.321 -26.174 1.00 41.13 ATOM 255 CZ2 TRP 16 -26.824 9.264 -26.430 1.00 35.45 ATOM 256 HZ2 TRP 16 -27.524 10.062 -26.493 1.00 53.42 ATOM 257 CZ3 TRP 16 -25.202 7.974 -25.192 1.00 3.33 ATOM 258 HZ3 TRP 16 -24.665 7.823 -24.267 1.00 12.11 ATOM 259 CH2 TRP 16 -26.119 9.030 -25.281 1.00 3.13 ATOM 260 HH2 TRP 16 -26.261 9.666 -24.420 1.00 24.02 ATOM 261 C TRP 16 -26.398 3.579 -29.726 1.00 64.42 ATOM 262 O TRP 16 -25.942 3.245 -30.821 1.00 25.13 ATOM 263 N LEU 17 -27.681 3.451 -29.409 1.00 31.34 ATOM 264 HN LEU 17 -27.996 3.727 -28.518 1.00 37.06 ATOM 265 CA LEU 17 -28.651 2.898 -30.349 1.00 5.55 ATOM 266 HA LEU 17 -28.176 2.747 -31.311 1.00 0.05 ATOM 267 CB LEU 17 -29.165 1.548 -29.847 1.00 2.03 ATOM 268 HB1 LEU 17 -29.797 1.127 -30.619 1.00 37.06 ATOM 269 HB2 LEU 17 -29.781 1.729 -28.991 1.00 51.12 ATOM 270 CG LEU 17 -28.097 0.520 -29.474 1.00 25.43 ATOM 271 HG LEU 17 -27.158 1.013 -29.307 1.00 54.33 ATOM 272 CD1 LEU 17 -28.467 -0.190 -28.181 1.00 34.31 ATOM 273 HD11 LEU 17 -29.396 -0.728 -28.313 1.00 14.12 ATOM 274 HD12 LEU 17 -28.584 0.535 -27.389 1.00 14.23 ATOM 275 HD13 LEU 17 -27.684 -0.886 -27.913 1.00 23.51 ATOM 276 CD2 LEU 17 -27.907 -0.485 -30.601 1.00 31.33 ATOM 277 HD21 LEU 17 -28.856 -0.942 -30.844 1.00 53.34 ATOM 278 HD22 LEU 17 -27.212 -1.256 -30.302 1.00 43.53 ATOM 279 HD23 LEU 17 -27.522 0.023 -31.473 1.00 33.45 ATOM 280 C LEU 17 -29.819 3.857 -30.551 1.00 54.23 ATOM 281 O LEU 17 -29.937 4.865 -29.854 1.00 43.11 ATOM 282 N ASP 18 -30.683 3.535 -31.508 1.00 45.24 ATOM 283 HN ASP 18 -30.538 2.709 -32.030 1.00 37.06 ATOM 284 CA ASP 18 -31.845 4.366 -31.801 1.00 22.01 ATOM 285 HA ASP 18 -31.501 5.387 -31.925 1.00 21.30 ATOM 286 CB ASP 18 -32.523 3.896 -33.089 1.00 1.40 ATOM 287 HB1 ASP 18 -33.581 4.128 -33.056 1.00 37.06 ATOM 288 HB2 ASP 18 -32.403 2.827 -33.193 1.00 71.20 ATOM 289 CG ASP 18 -31.945 4.561 -34.323 1.00 11.11 ATOM 290 OD1 ASP 18 -31.496 5.721 -34.216 1.00 40.20 ATOM 291 OD2 ASP 18 -31.943 3.922 -35.396 1.00 22.52 ATOM 292 C ASP 18 -32.841 4.333 -30.646 1.00 1.11 ATOM 293 O ASP 18 -33.596 3.374 -30.493 1.00 72.52 ATOM 294 N GLN 19 -32.835 5.387 -29.836 1.00 21.32 ATOM 295 HN GLN 19 -32.211 6.130 -30.000 1.00 37.06 ATOM 296 CA GLN 19 -33.737 5.477 -28.694 1.00 21.33 ATOM 297 HA GLN 19 -33.601 6.447 -28.240 1.00 54.34 ATOM 298 CB GLN 19 -35.190 5.343 -29.153 1.00 1.12 ATOM 299 HB1 GLN 19 -35.826 5.667 -28.340 1.00 37.06 ATOM 300 HB2 GLN 19 -35.413 4.308 -29.375 1.00 0.21 ATOM 301 CG GLN 19 -35.517 6.171 -30.385 1.00 71.54 ATOM 302 HG1 GLN 19 -35.294 5.584 -31.265 1.00 37.06 ATOM 303 HG2 GLN 19 -34.905 7.065 -30.389 1.00 21.40 ATOM 304 CD GLN 19 -36.970 6.600 -30.431 1.00 73.23 ATOM 305 OE1 GLN 19 -37.375 7.535 -29.741 1.00 14.24 ATOM 306 NE2 GLN 19 -37.764 5.917 -31.248 1.00 31.32 ATOM 307 HE21 GLN 19 -37.387 5.178 -31.777 1.00 32.23 ATOM 308 HE22 GLN 19 -38.707 6.180 -31.291 1.00 0.14 ATOM 309 C GLN 19 -33.417 4.401 -27.661 1.00 45.20 ATOM 310 O GLN 19 -34.212 4.135 -26.761 1.00 62.21 ATOM 311 N ASN 20 -32.246 3.786 -27.798 1.00 13.10 ATOM 312 HN ASN 20 -31.616 4.063 -28.490 1.00 37.06 ATOM 313 CA ASN 20 -31.821 2.738 -26.877 1.00 12.31 ATOM 314 HA ASN 20 -32.331 2.874 -25.930 1.00 22.11 ATOM 315 CB ASN 20 -32.185 1.361 -27.435 1.00 42.05 ATOM 316 HB1 ASN 20 -31.979 0.609 -26.687 1.00 37.06 ATOM 317 HB2 ASN 20 -31.598 1.157 -28.315 1.00 75.35 ATOM 318 CG ASN 20 -33.648 1.261 -27.820 1.00 53.25 ATOM 319 OD1 ASN 20 -33.990 1.234 -29.003 1.00 11.12 ATOM 320 ND2 ASN 20 -34.520 1.206 -26.821 1.00 15.34 ATOM 321 HD21 ASN 20 -34.190 1.232 -25.894 1.00 60.23 ATOM 322 HD22 ASN 20 -35.471 1.141 -27.049 1.00 70.31 ATOM 323 C ASN 20 -30.319 2.815 -26.621 1.00 51.32 ATOM 324 O ASN 20 -29.574 3.400 -27.407 1.00 63.15 ATOM 325 N VAL 21 -29.881 2.220 -25.516 1.00 51.41 ATOM 326 HN VAL 21 -30.528 1.777 -24.916 1.00 37.06 ATOM 327 CA VAL 21 -28.468 2.220 -25.157 1.00 31.31 ATOM 328 HA VAL 21 -27.895 2.125 -26.070 1.00 74.53 ATOM 329 CB VAL 21 -28.065 3.534 -24.463 1.00 44.54 ATOM 330 HB VAL 21 -28.394 4.358 -25.078 1.00 32.50 ATOM 331 CG1 VAL 21 -28.743 3.653 -23.107 1.00 61.11 ATOM 332 HG11 VAL 21 -28.322 2.947 -22.404 1.00 23.21 ATOM 333 HG12 VAL 21 -29.798 3.464 -23.223 1.00 61.44 ATOM 334 HG13 VAL 21 -28.604 4.656 -22.730 1.00 23.01 ATOM 335 CG2 VAL 21 -26.552 3.619 -24.322 1.00 14.34 ATOM 336 HG21 VAL 21 -26.108 3.698 -25.296 1.00 20.43 ATOM 337 HG22 VAL 21 -26.165 2.749 -23.815 1.00 63.40 ATOM 338 HG23 VAL 21 -26.293 4.501 -23.751 1.00 43.30 ATOM 339 C VAL 21 -28.135 1.050 -24.238 1.00 13.05 ATOM 340 O VAL 21 -28.884 0.744 -23.310 1.00 70.32 ATOM 341 N ALA 22 -27.007 0.400 -24.501 1.00 65.01 ATOM 342 HN ALA 22 -26.444 0.682 -25.258 1.00 37.06 ATOM 343 CA ALA 22 -26.573 -0.735 -23.696 1.00 3.12 ATOM 344 HA ALA 22 -27.264 -0.869 -22.879 1.00 34.22 ATOM 345 CB ALA 22 -26.585 -2.008 -24.528 1.00 75.43 ATOM 346 HB1 ALA 22 -25.877 -1.919 -25.340 1.00 0.32 ATOM 347 HB2 ALA 22 -27.575 -2.161 -24.933 1.00 24.52 ATOM 348 HB3 ALA 22 -26.318 -2.852 -23.907 1.00 72.33 ATOM 349 C ALA 22 -25.184 -0.496 -23.113 1.00 11.41 ATOM 350 O ALA 22 -24.336 0.137 -23.744 1.00 35.31 ATOM 351 N ILE 23 -24.958 -1.004 -21.906 1.00 55.21 ATOM 352 HN ILE 23 -25.665 -1.519 -21.457 1.00 37.06 ATOM 353 CA ILE 23 -23.672 -0.845 -21.239 1.00 51.02 ATOM 354 HA ILE 23 -23.028 -0.218 -21.849 1.00 21.23 ATOM 355 CB ILE 23 -23.830 -0.167 -19.865 1.00 72.33 ATOM 356 HB ILE 23 -22.870 -0.185 -19.361 1.00 32.13 ATOM 357 CG1 ILE 23 -24.866 -0.912 -19.021 1.00 20.41 ATOM 358 HG11 ILE 23 -24.806 -1.975 -19.195 1.00 37.06 ATOM 359 HG12 ILE 23 -25.857 -0.576 -19.288 1.00 35.34 ATOM 360 CG2 ILE 23 -24.229 1.291 -20.037 1.00 25.13 ATOM 361 HG21 ILE 23 -23.485 1.800 -20.625 1.00 13.03 ATOM 362 HG22 ILE 23 -24.301 1.764 -19.068 1.00 34.33 ATOM 363 HG23 ILE 23 -25.186 1.351 -20.538 1.00 42.42 ATOM 364 CD1 ILE 23 -24.698 -0.701 -17.533 1.00 4.34 ATOM 365 HD11 ILE 23 -23.710 -1.020 -17.236 1.00 50.22 ATOM 366 HD12 ILE 23 -25.433 -1.277 -16.996 1.00 25.11 ATOM 367 HD13 ILE 23 -24.819 0.344 -17.303 1.00 21.43 ATOM 368 C ILE 23 -22.980 -2.191 -21.053 1.00 44.21 ATOM 369 O ILE 23 -23.634 -3.222 -20.903 1.00 55.24 ATOM 370 N ALA 24 -21.651 -2.172 -21.062 1.00 22.42 ATOM 371 HN ALA 24 -21.178 -1.317 -21.202 1.00 37.06 ATOM 372 CA ALA 24 -20.869 -3.390 -20.890 1.00 62.51 ATOM 373 HA ALA 24 -21.468 -4.127 -20.367 1.00 13.04 ATOM 374 CB ALA 24 -20.493 -3.972 -22.245 1.00 4.40 ATOM 375 HB1 ALA 24 -19.895 -4.863 -22.110 1.00 63.45 ATOM 376 HB2 ALA 24 -19.933 -3.242 -22.805 1.00 73.22 ATOM 377 HB3 ALA 24 -21.393 -4.224 -22.787 1.00 21.24 ATOM 378 C ALA 24 -19.617 -3.127 -20.059 1.00 54.04 ATOM 379 O ALA 24 -19.251 -1.977 -19.818 1.00 14.35 ATOM 380 N VAL 25 -18.965 -4.200 -19.624 1.00 62.12 ATOM 381 HN VAL 25 -19.311 -5.099 -19.836 1.00 37.06 ATOM 382 CA VAL 25 -17.754 -4.085 -18.821 1.00 3.45 ATOM 383 HA VAL 25 -17.346 -3.094 -18.958 1.00 32.10 ATOM 384 CB VAL 25 -18.054 -4.277 -17.322 1.00 61.52 ATOM 385 HB VAL 25 -18.475 -5.257 -17.176 1.00 11.24 ATOM 386 CG1 VAL 25 -16.773 -4.195 -16.506 1.00 11.52 ATOM 387 HG11 VAL 25 -16.100 -4.990 -16.783 1.00 54.34 ATOM 388 HG12 VAL 25 -17.010 -4.292 -15.455 1.00 55.02 ATOM 389 HG13 VAL 25 -16.295 -3.244 -16.672 1.00 24.22 ATOM 390 CG2 VAL 25 -19.067 -3.248 -16.845 1.00 74.05 ATOM 391 HG21 VAL 25 -18.845 -2.288 -17.285 1.00 0.34 ATOM 392 HG22 VAL 25 -19.018 -3.155 -15.775 1.00 61.42 ATOM 393 HG23 VAL 25 -20.056 -3.555 -17.141 1.00 1.25 ATOM 394 C VAL 25 -16.707 -5.105 -19.254 1.00 34.45 ATOM 395 O VAL 25 -17.026 -6.268 -19.503 1.00 62.14 ATOM 396 N ASP 26 -15.458 -4.663 -19.340 1.00 22.13 ATOM 397 HN ASP 26 -15.257 -3.720 -19.136 1.00 37.06 ATOM 398 CA ASP 26 -14.363 -5.539 -19.741 1.00 42.41 ATOM 399 HA ASP 26 -14.727 -6.562 -19.789 1.00 45.31 ATOM 400 CB ASP 26 -13.840 -5.137 -21.121 1.00 42.31 ATOM 401 HB1 ASP 26 -12.835 -5.519 -21.258 1.00 37.06 ATOM 402 HB2 ASP 26 -13.820 -4.060 -21.197 1.00 4.25 ATOM 403 CG ASP 26 -14.700 -5.677 -22.246 1.00 61.53 ATOM 404 OD1 ASP 26 -14.137 -6.051 -23.297 1.00 30.43 ATOM 405 OD2 ASP 26 -15.936 -5.728 -22.076 1.00 42.42 ATOM 406 C ASP 26 -13.229 -5.494 -18.721 1.00 54.10 ATOM 407 O ASP 26 -12.909 -4.435 -18.182 1.00 32.01 ATOM 408 N GLN 27 -12.628 -6.650 -18.461 1.00 60.33 ATOM 409 HN GLN 27 -12.917 -7.461 -18.939 1.00 37.06 ATOM 410 CA GLN 27 -11.532 -6.743 -17.504 1.00 43.43 ATOM 411 HA GLN 27 -11.633 -5.937 -16.784 1.00 2.40 ATOM 412 CB GLN 27 -11.602 -8.067 -16.742 1.00 60.13 ATOM 413 HB1 GLN 27 -12.589 -8.167 -16.313 1.00 37.06 ATOM 414 HB2 GLN 27 -10.873 -8.045 -15.946 1.00 52.51 ATOM 415 CG GLN 27 -11.326 -9.284 -17.611 1.00 2.13 ATOM 416 HG1 GLN 27 -10.314 -9.237 -17.982 1.00 37.06 ATOM 417 HG2 GLN 27 -12.012 -9.290 -18.442 1.00 40.01 ATOM 418 CD GLN 27 -11.486 -10.588 -16.855 1.00 62.42 ATOM 419 OE1 GLN 27 -12.585 -11.137 -16.766 1.00 3.21 ATOM 420 NE2 GLN 27 -10.387 -11.093 -16.306 1.00 72.41 ATOM 421 HE21 GLN 27 -9.535 -10.612 -16.410 1.00 75.01 ATOM 422 HE22 GLN 27 -10.470 -11.936 -15.813 1.00 42.04 ATOM 423 C GLN 27 -10.184 -6.617 -18.207 1.00 21.51 ATOM 424 O GLN 27 -9.922 -7.305 -19.195 1.00 1.44 ATOM 425 N ILE 28 -9.333 -5.736 -17.692 1.00 32.44 ATOM 426 HN ILE 28 -9.592 -5.222 -16.895 1.00 37.06 ATOM 427 CA ILE 28 -8.012 -5.522 -18.270 1.00 34.34 ATOM 428 HA ILE 28 -8.094 -5.611 -19.344 1.00 11.15 ATOM 429 CB ILE 28 -7.479 -4.114 -17.949 1.00 1.43 ATOM 430 HB ILE 28 -7.348 -4.039 -16.882 1.00 51.01 ATOM 431 CG1 ILE 28 -8.477 -3.049 -18.409 1.00 72.41 ATOM 432 HG11 ILE 28 -9.389 -3.147 -17.839 1.00 37.06 ATOM 433 HG12 ILE 28 -8.692 -3.197 -19.446 1.00 44.25 ATOM 434 CG2 ILE 28 -6.125 -3.897 -18.607 1.00 64.41 ATOM 435 HG21 ILE 28 -5.714 -2.948 -18.301 1.00 15.45 ATOM 436 HG22 ILE 28 -6.238 -3.903 -19.679 1.00 72.51 ATOM 437 HG23 ILE 28 -5.435 -4.676 -18.320 1.00 0.44 ATOM 438 CD1 ILE 28 -7.973 -1.634 -18.238 1.00 42.43 ATOM 439 HD11 ILE 28 -8.775 -1.015 -17.869 1.00 1.14 ATOM 440 HD12 ILE 28 -7.647 -1.256 -19.195 1.00 24.54 ATOM 441 HD13 ILE 28 -7.148 -1.593 -17.543 1.00 73.13 ATOM 442 C ILE 28 -7.016 -6.559 -17.762 1.00 43.12 ATOM 443 O ILE 28 -6.544 -6.480 -16.628 1.00 13.53 ATOM 444 N VAL 29 -6.697 -7.531 -18.611 1.00 52.12 ATOM 445 HN VAL 29 -7.084 -7.532 -19.512 1.00 37.06 ATOM 446 CA VAL 29 -5.754 -8.582 -18.251 1.00 22.45 ATOM 447 HA VAL 29 -5.815 -8.745 -17.178 1.00 3.45 ATOM 448 CB VAL 29 -6.095 -9.909 -18.955 1.00 52.32 ATOM 449 HB VAL 29 -5.817 -9.834 -20.000 1.00 4.22 ATOM 450 CG1 VAL 29 -5.312 -11.058 -18.339 1.00 34.02 ATOM 451 HG11 VAL 29 -5.722 -12.003 -18.676 1.00 54.43 ATOM 452 HG12 VAL 29 -5.368 -11.012 -17.260 1.00 32.32 ATOM 453 HG13 VAL 29 -4.282 -10.999 -18.648 1.00 33.05 ATOM 454 CG2 VAL 29 -7.591 -10.176 -18.890 1.00 73.42 ATOM 455 HG21 VAL 29 -7.808 -11.132 -19.346 1.00 51.35 ATOM 456 HG22 VAL 29 -8.126 -9.404 -19.420 1.00 65.33 ATOM 457 HG23 VAL 29 -7.913 -10.193 -17.858 1.00 53.35 ATOM 458 C VAL 29 -4.325 -8.184 -18.605 1.00 34.33 ATOM 459 O VAL 29 -4.102 -7.319 -19.451 1.00 35.52 ATOM 460 N GLY 30 -3.359 -8.823 -17.951 1.00 14.31 ATOM 461 HN GLY 30 -3.579 -9.471 -17.248 1.00 37.06 ATOM 462 CA GLY 30 -1.964 -8.522 -18.211 1.00 3.12 ATOM 463 HA1 GLY 30 -1.350 -9.256 -17.710 1.00 37.06 ATOM 464 HA2 GLY 30 -1.737 -7.545 -17.811 1.00 75.30 ATOM 465 C GLY 30 -1.634 -8.534 -19.690 1.00 64.32 ATOM 466 O GLY 30 -0.936 -7.649 -20.186 1.00 71.32 ATOM 467 N LYS 31 -2.134 -9.541 -20.398 1.00 72.20 ATOM 468 HN LYS 31 -2.680 -10.227 -19.945 1.00 37.06 ATOM 469 CA LYS 31 -1.889 -9.667 -21.830 1.00 11.02 ATOM 470 HA LYS 31 -0.818 -9.672 -21.991 1.00 22.21 ATOM 471 CB LYS 31 -2.480 -10.977 -22.356 1.00 41.22 ATOM 472 HB1 LYS 31 -2.515 -10.942 -23.439 1.00 37.06 ATOM 473 HB2 LYS 31 -3.488 -11.066 -21.984 1.00 51.31 ATOM 474 CG LYS 31 -1.681 -12.207 -21.961 1.00 0.30 ATOM 475 HG1 LYS 31 -1.312 -12.093 -20.947 1.00 37.06 ATOM 476 HG2 LYS 31 -0.843 -12.303 -22.636 1.00 72.31 ATOM 477 CD LYS 31 -2.521 -13.470 -22.050 1.00 11.32 ATOM 478 HD1 LYS 31 -1.861 -14.325 -22.033 1.00 37.06 ATOM 479 HD2 LYS 31 -3.083 -13.471 -22.975 1.00 61.30 ATOM 480 CE LYS 31 -3.489 -13.579 -20.882 1.00 11.53 ATOM 481 HE1 LYS 31 -4.010 -12.642 -20.751 1.00 37.06 ATOM 482 HE2 LYS 31 -2.927 -13.801 -19.988 1.00 52.32 ATOM 483 NZ LYS 31 -4.496 -14.655 -21.094 1.00 23.20 ATOM 484 HZ1 LYS 31 -5.056 -14.464 -21.951 1.00 10.23 ATOM 485 HZ2 LYS 31 -5.141 -14.702 -20.280 1.00 43.41 ATOM 486 HZ3 LYS 31 -4.024 -15.577 -21.199 1.00 50.25 ATOM 487 C LYS 31 -2.485 -8.486 -22.590 1.00 34.44 ATOM 488 O LYS 31 -1.973 -8.085 -23.633 1.00 42.33 ATOM 489 N GLY 32 -3.571 -7.934 -22.058 1.00 15.53 ATOM 490 HN GLY 32 -3.962 -8.309 -21.243 1.00 37.06 ATOM 491 CA GLY 32 -4.218 -6.804 -22.699 1.00 14.44 ATOM 492 HA1 GLY 32 -4.332 -7.006 -23.758 1.00 37.06 ATOM 493 HA2 GLY 32 -3.590 -5.933 -22.579 1.00 2.40 ATOM 494 C GLY 32 -5.581 -6.504 -22.107 1.00 54.31 ATOM 495 O GLY 32 -5.690 -5.796 -21.105 1.00 55.33 ATOM 496 N THR 33 -6.626 -7.042 -22.728 1.00 71.25 ATOM 497 HN THR 33 -6.480 -7.591 -23.535 1.00 37.06 ATOM 498 CA THR 33 -7.989 -6.826 -22.259 1.00 60.45 ATOM 499 HA THR 33 -7.975 -6.757 -21.180 1.00 52.24 ATOM 500 CB THR 33 -8.579 -5.522 -22.828 1.00 4.34 ATOM 501 HB THR 33 -9.660 -5.602 -22.879 1.00 64.40 ATOM 502 OG1 THR 33 -8.071 -5.288 -24.146 1.00 73.22 ATOM 503 HG1 THR 33 -8.561 -5.818 -24.779 1.00 24.23 ATOM 504 CG2 THR 33 -8.240 -4.340 -21.932 1.00 1.32 ATOM 505 HG21 THR 33 -7.174 -4.193 -21.905 1.00 75.01 ATOM 506 HG22 THR 33 -8.608 -4.526 -20.944 1.00 3.11 ATOM 507 HG23 THR 33 -8.712 -3.451 -22.324 1.00 70.42 ATOM 508 C THR 33 -8.894 -7.990 -22.646 1.00 33.40 ATOM 509 O THR 33 -8.760 -8.561 -23.728 1.00 43.14 ATOM 510 N SER 34 -9.817 -8.337 -21.755 1.00 32.53 ATOM 511 HN SER 34 -9.876 -7.851 -20.901 1.00 37.06 ATOM 512 CA SER 34 -10.743 -9.436 -22.002 1.00 34.32 ATOM 513 HA SER 34 -10.754 -9.634 -23.066 1.00 23.22 ATOM 514 CB SER 34 -10.281 -10.696 -21.267 1.00 63.25 ATOM 515 HB1 SER 34 -11.002 -10.992 -20.515 1.00 37.06 ATOM 516 HB2 SER 34 -9.339 -10.510 -20.795 1.00 31.02 ATOM 517 OG SER 34 -10.105 -11.776 -22.168 1.00 73.12 ATOM 518 HG SER 34 -9.961 -12.586 -21.673 1.00 50.42 ATOM 519 C SER 34 -12.156 -9.066 -21.560 1.00 21.14 ATOM 520 O SER 34 -12.361 -8.192 -20.717 1.00 52.13 ATOM 521 N PRO 35 -13.155 -9.747 -22.141 1.00 44.02 ATOM 522 CA PRO 35 -14.566 -9.508 -21.823 1.00 64.33 ATOM 523 HA PRO 35 -14.822 -8.463 -21.939 1.00 43.54 ATOM 524 CB PRO 35 -15.311 -10.334 -22.875 1.00 24.10 ATOM 525 HB1 PRO 35 -15.545 -9.705 -23.721 1.00 37.06 ATOM 526 HB2 PRO 35 -16.228 -10.743 -22.467 1.00 34.25 ATOM 527 CG PRO 35 -14.355 -11.410 -23.259 1.00 24.23 ATOM 528 HG1 PRO 35 -14.547 -11.727 -24.273 1.00 37.06 ATOM 529 HG2 PRO 35 -14.449 -12.245 -22.580 1.00 35.11 ATOM 530 CD PRO 35 -12.983 -10.803 -23.153 1.00 51.44 ATOM 531 HD1 PRO 35 -12.678 -10.386 -24.102 1.00 37.06 ATOM 532 HD2 PRO 35 -12.289 -11.550 -22.828 1.00 44.02 ATOM 533 C PRO 35 -14.931 -9.979 -20.420 1.00 11.34 ATOM 534 O PRO 35 -14.501 -11.046 -19.979 1.00 44.44 ATOM 535 N LEU 36 -15.728 -9.177 -19.721 1.00 63.40 ATOM 536 HN LEU 36 -16.042 -8.334 -20.119 1.00 37.06 ATOM 537 CA LEU 36 -16.152 -9.512 -18.366 1.00 71.31 ATOM 538 HA LEU 36 -15.672 -10.431 -18.071 1.00 13.31 ATOM 539 CB LEU 36 -15.746 -8.403 -17.394 1.00 64.04 ATOM 540 HB1 LEU 36 -16.317 -7.517 -17.629 1.00 37.06 ATOM 541 HB2 LEU 36 -14.700 -8.183 -17.564 1.00 3.13 ATOM 542 CG LEU 36 -15.935 -8.710 -15.908 1.00 51.34 ATOM 543 HG LEU 36 -16.983 -8.887 -15.715 1.00 11.13 ATOM 544 CD1 LEU 36 -15.169 -9.965 -15.520 1.00 45.44 ATOM 545 HD11 LEU 36 -15.550 -10.817 -16.058 1.00 35.35 ATOM 546 HD12 LEU 36 -15.280 -10.142 -14.459 1.00 23.21 ATOM 547 HD13 LEU 36 -14.127 -9.828 -15.746 1.00 3.32 ATOM 548 CD2 LEU 36 -15.491 -7.528 -15.059 1.00 55.50 ATOM 549 HD21 LEU 36 -15.667 -7.744 -14.014 1.00 63.44 ATOM 550 HD22 LEU 36 -16.049 -6.646 -15.340 1.00 43.15 ATOM 551 HD23 LEU 36 -14.438 -7.355 -15.217 1.00 10.11 ATOM 552 C LEU 36 -17.661 -9.729 -18.306 1.00 22.01 ATOM 553 O LEU 36 -18.135 -10.722 -17.752 1.00 54.55 ATOM 554 N THR 37 -18.411 -8.794 -18.881 1.00 73.42 ATOM 555 HN THR 37 -17.985 -8.007 -19.291 1.00 37.06 ATOM 556 CA THR 37 -19.866 -8.883 -18.894 1.00 61.32 ATOM 557 HA THR 37 -20.167 -9.887 -18.612 1.00 74.34 ATOM 558 CB THR 37 -20.498 -7.898 -17.893 1.00 41.44 ATOM 559 HB THR 37 -21.576 -7.990 -17.943 1.00 71.51 ATOM 560 OG1 THR 37 -20.127 -6.555 -18.227 1.00 22.41 ATOM 561 HG1 THR 37 -20.785 -5.944 -17.886 1.00 52.42 ATOM 562 CG2 THR 37 -20.057 -8.213 -16.472 1.00 11.31 ATOM 563 HG21 THR 37 -18.981 -8.136 -16.400 1.00 53.25 ATOM 564 HG22 THR 37 -20.365 -9.215 -16.210 1.00 35.20 ATOM 565 HG23 THR 37 -20.513 -7.509 -15.791 1.00 61.25 ATOM 566 C THR 37 -20.421 -8.603 -20.286 1.00 14.22 ATOM 567 O THR 37 -19.740 -8.022 -21.131 1.00 74.20 ATOM 568 N SER 38 -21.663 -9.018 -20.517 1.00 64.33 ATOM 569 HN SER 38 -22.169 -9.462 -19.795 1.00 37.06 ATOM 570 CA SER 38 -22.309 -8.814 -21.808 1.00 62.25 ATOM 571 HA SER 38 -21.546 -8.766 -22.577 1.00 63.51 ATOM 572 CB SER 38 -23.246 -9.982 -22.124 1.00 4.20 ATOM 573 HB1 SER 38 -24.263 -9.632 -22.258 1.00 37.06 ATOM 574 HB2 SER 38 -23.228 -10.696 -21.312 1.00 20.14 ATOM 575 OG SER 38 -22.846 -10.651 -23.307 1.00 65.41 ATOM 576 HG SER 38 -23.154 -10.162 -24.075 1.00 24.33 ATOM 577 C SER 38 -23.089 -7.503 -21.824 1.00 44.05 ATOM 578 O SER 38 -23.189 -6.815 -20.808 1.00 44.35 ATOM 579 N TYR 39 -23.639 -7.164 -22.985 1.00 13.13 ATOM 580 HN TYR 39 -23.544 -7.769 -23.758 1.00 37.06 ATOM 581 CA TYR 39 -24.408 -5.934 -23.135 1.00 74.43 ATOM 582 HA TYR 39 -23.857 -5.129 -22.657 1.00 55.22 ATOM 583 CB TYR 39 -24.584 -5.596 -24.617 1.00 30.13 ATOM 584 HB1 TYR 39 -25.305 -4.791 -24.720 1.00 37.06 ATOM 585 HB2 TYR 39 -24.964 -6.469 -25.131 1.00 4.01 ATOM 586 CG TYR 39 -23.302 -5.171 -25.297 1.00 32.22 ATOM 587 CD1 TYR 39 -22.369 -6.112 -25.714 1.00 51.14 ATOM 588 HD1 TYR 39 -22.565 -7.161 -25.552 1.00 60.24 ATOM 589 CD2 TYR 39 -23.025 -3.828 -25.523 1.00 21.42 ATOM 590 HD2 TYR 39 -23.739 -3.080 -25.206 1.00 43.12 ATOM 591 CE1 TYR 39 -21.196 -5.728 -26.335 1.00 54.04 ATOM 592 HE1 TYR 39 -20.483 -6.475 -26.652 1.00 60.33 ATOM 593 CE2 TYR 39 -21.855 -3.435 -26.144 1.00 75.45 ATOM 594 HE2 TYR 39 -21.658 -2.386 -26.310 1.00 54.23 ATOM 595 CZ TYR 39 -20.944 -4.389 -26.548 1.00 53.34 ATOM 596 OH TYR 39 -19.778 -4.002 -27.168 1.00 61.30 ATOM 597 HH TYR 39 -19.823 -4.209 -28.107 1.00 25.22 ATOM 598 C TYR 39 -25.773 -6.060 -22.466 1.00 34.14 ATOM 599 O TYR 39 -26.381 -7.131 -22.464 1.00 22.13 ATOM 600 N PHE 40 -26.250 -4.957 -21.898 1.00 33.43 ATOM 601 HN PHE 40 -25.720 -4.126 -21.922 1.00 37.06 ATOM 602 CA PHE 40 -27.543 -4.942 -21.224 1.00 35.42 ATOM 603 HA PHE 40 -28.050 -5.879 -21.410 1.00 65.33 ATOM 604 CB PHE 40 -27.354 -4.778 -19.714 1.00 41.35 ATOM 605 HB1 PHE 40 -28.324 -4.723 -19.238 1.00 37.06 ATOM 606 HB2 PHE 40 -26.819 -3.855 -19.528 1.00 14.42 ATOM 607 CG PHE 40 -26.597 -5.908 -19.079 1.00 23.35 ATOM 608 CD1 PHE 40 -26.888 -7.224 -19.402 1.00 54.51 ATOM 609 HD1 PHE 40 -27.668 -7.445 -20.114 1.00 73.11 ATOM 610 CD2 PHE 40 -25.594 -5.656 -18.157 1.00 4.33 ATOM 611 HD2 PHE 40 -25.354 -4.635 -17.894 1.00 63.33 ATOM 612 CE1 PHE 40 -26.193 -8.266 -18.819 1.00 33.30 ATOM 613 HE1 PHE 40 -26.430 -9.287 -19.080 1.00 14.22 ATOM 614 CE2 PHE 40 -24.895 -6.694 -17.571 1.00 22.23 ATOM 615 HE2 PHE 40 -24.116 -6.484 -16.853 1.00 64.33 ATOM 616 CZ PHE 40 -25.196 -8.001 -17.901 1.00 61.13 ATOM 617 HZ PHE 40 -24.651 -8.814 -17.444 1.00 71.11 ATOM 618 C PHE 40 -28.425 -3.819 -21.763 1.00 24.13 ATOM 619 O PHE 40 -28.072 -2.643 -21.676 1.00 13.41 ATOM 620 N PHE 41 -29.572 -4.191 -22.320 1.00 32.10 ATOM 621 HN PHE 41 -29.810 -5.149 -22.348 1.00 37.06 ATOM 622 CA PHE 41 -30.504 -3.216 -22.875 1.00 20.31 ATOM 623 HA PHE 41 -29.927 -2.435 -23.365 1.00 41.31 ATOM 624 CB PHE 41 -31.419 -3.883 -23.904 1.00 54.40 ATOM 625 HB1 PHE 41 -32.381 -3.379 -23.918 1.00 37.06 ATOM 626 HB2 PHE 41 -31.580 -4.917 -23.623 1.00 63.32 ATOM 627 CG PHE 41 -30.866 -3.864 -25.300 1.00 44.31 ATOM 628 CD1 PHE 41 -29.815 -4.694 -25.654 1.00 24.41 ATOM 629 HD1 PHE 41 -29.391 -5.363 -24.917 1.00 54.21 ATOM 630 CD2 PHE 41 -31.396 -3.015 -26.258 1.00 44.14 ATOM 631 HD2 PHE 41 -32.217 -2.360 -25.997 1.00 63.40 ATOM 632 CE1 PHE 41 -29.303 -4.680 -26.938 1.00 2.12 ATOM 633 HE1 PHE 41 -28.483 -5.332 -27.200 1.00 31.32 ATOM 634 CE2 PHE 41 -30.888 -2.996 -27.544 1.00 33.32 ATOM 635 HE2 PHE 41 -31.310 -2.329 -28.282 1.00 3.35 ATOM 636 CZ PHE 41 -29.840 -3.829 -27.884 1.00 2.23 ATOM 637 HZ PHE 41 -29.442 -3.816 -28.888 1.00 70.34 ATOM 638 C PHE 41 -31.341 -2.575 -21.772 1.00 75.40 ATOM 639 O PHE 41 -31.624 -3.201 -20.750 1.00 53.12 ATOM 640 N TRP 42 -31.734 -1.325 -21.987 1.00 21.02 ATOM 641 HN TRP 42 -31.465 -0.869 -22.821 1.00 37.06 ATOM 642 CA TRP 42 -32.539 -0.598 -21.011 1.00 65.41 ATOM 643 HA TRP 42 -33.165 -1.307 -20.541 1.00 73.00 ATOM 644 CB TRP 42 -31.639 0.034 -19.948 1.00 33.15 ATOM 645 HB1 TRP 42 -30.647 -0.395 -20.014 1.00 37.06 ATOM 646 HB2 TRP 42 -32.038 -0.180 -18.969 1.00 71.32 ATOM 647 CG TRP 42 -31.501 1.519 -20.093 1.00 53.21 ATOM 648 CD1 TRP 42 -30.941 2.191 -21.142 1.00 10.44 ATOM 649 HD1 TRP 42 -30.527 1.718 -22.011 1.00 54.14 ATOM 650 CD2 TRP 42 -31.930 2.515 -19.158 1.00 44.42 ATOM 651 NE1 TRP 42 -30.995 3.546 -20.915 1.00 32.52 ATOM 652 HE1 TRP 42 -30.670 4.243 -21.511 1.00 34.21 ATOM 653 CE2 TRP 42 -31.598 3.770 -19.705 1.00 42.33 ATOM 654 CE3 TRP 42 -32.563 2.470 -17.913 1.00 62.33 ATOM 655 HE3 TRP 42 -32.830 1.531 -17.454 1.00 0.22 ATOM 656 CZ2 TRP 42 -31.878 4.966 -19.049 1.00 25.23 ATOM 657 HZ2 TRP 42 -31.620 5.920 -19.465 1.00 51.10 ATOM 658 CZ3 TRP 42 -32.839 3.657 -17.263 1.00 14.12 ATOM 659 HZ3 TRP 42 -33.327 3.641 -16.300 1.00 40.55 ATOM 660 CH2 TRP 42 -32.498 4.891 -17.831 1.00 41.43 ATOM 661 HH2 TRP 42 -32.733 5.793 -17.286 1.00 1.34 ATOM 662 C TRP 42 -33.377 0.478 -21.691 1.00 14.12 ATOM 663 O TRP 42 -33.109 0.887 -22.821 1.00 22.33 ATOM 664 N PRO 43 -34.418 0.950 -20.989 1.00 11.24 ATOM 665 CA PRO 43 -34.748 0.471 -19.643 1.00 41.11 ATOM 666 HA PRO 43 -33.928 0.530 -18.973 1.00 72.43 ATOM 667 CB PRO 43 -35.837 1.441 -19.178 1.00 72.23 ATOM 668 HB1 PRO 43 -35.382 2.248 -18.623 1.00 37.06 ATOM 669 HB2 PRO 43 -36.562 0.936 -18.550 1.00 3.35 ATOM 670 CG PRO 43 -36.458 1.943 -20.436 1.00 15.54 ATOM 671 HG1 PRO 43 -36.861 2.932 -20.277 1.00 37.06 ATOM 672 HG2 PRO 43 -37.236 1.266 -20.757 1.00 12.31 ATOM 673 CD PRO 43 -35.353 1.988 -21.455 1.00 35.35 ATOM 674 HD1 PRO 43 -34.880 2.959 -21.457 1.00 37.06 ATOM 675 HD2 PRO 43 -35.735 1.750 -22.437 1.00 64.22 ATOM 676 C PRO 43 -35.276 -0.959 -19.650 1.00 61.43 ATOM 677 O PRO 43 -35.467 -1.566 -18.596 1.00 43.01 ATOM 678 N ARG 44 -35.510 -1.493 -20.845 1.00 3.02 ATOM 679 HN ARG 44 -35.418 -0.956 -21.656 1.00 37.06 ATOM 680 CA ARG 44 -36.016 -2.852 -20.988 1.00 75.45 ATOM 681 HA ARG 44 -37.090 -2.818 -20.869 1.00 34.20 ATOM 682 CB ARG 44 -35.671 -3.405 -22.372 1.00 44.25 ATOM 683 HB1 ARG 44 -35.566 -4.483 -22.315 1.00 37.06 ATOM 684 HB2 ARG 44 -34.722 -2.988 -22.682 1.00 51.35 ATOM 685 CG ARG 44 -36.723 -3.106 -23.428 1.00 21.22 ATOM 686 HG1 ARG 44 -37.265 -2.207 -23.158 1.00 37.06 ATOM 687 HG2 ARG 44 -37.413 -3.936 -23.478 1.00 24.35 ATOM 688 CD ARG 44 -36.095 -2.897 -24.797 1.00 71.40 ATOM 689 HD1 ARG 44 -35.127 -2.422 -24.696 1.00 37.06 ATOM 690 HD2 ARG 44 -36.747 -2.248 -25.365 1.00 65.04 ATOM 691 NE ARG 44 -35.938 -4.154 -25.524 1.00 42.05 ATOM 692 HE ARG 44 -36.129 -4.993 -25.043 1.00 11.44 ATOM 693 CZ ARG 44 -35.550 -4.225 -26.793 1.00 74.21 ATOM 694 NH1 ARG 44 -35.282 -3.118 -27.471 1.00 2.22 ATOM 695 HH11 ARG 44 -35.363 -2.217 -27.049 1.00 53.33 ATOM 696 HH12 ARG 44 -34.991 -3.182 -28.428 1.00 31.33 ATOM 697 NH2 ARG 44 -35.430 -5.406 -27.386 1.00 74.21 ATOM 698 HH21 ARG 44 -35.631 -6.247 -26.879 1.00 63.22 ATOM 699 HH22 ARG 44 -35.138 -5.462 -28.343 1.00 0.24 ATOM 700 C ARG 44 -35.443 -3.764 -19.907 1.00 44.44 ATOM 701 O ARG 44 -36.181 -4.463 -19.215 1.00 33.11 ATOM 702 N ALA 45 -34.121 -3.750 -19.769 1.00 41.24 ATOM 703 HN ALA 45 -33.578 -3.200 -20.363 1.00 37.06 ATOM 704 CA ALA 45 -33.448 -4.573 -18.772 1.00 73.33 ATOM 705 HA ALA 45 -34.192 -5.115 -18.196 1.00 12.43 ATOM 706 CB ALA 45 -32.563 -5.607 -19.452 1.00 30.40 ATOM 707 HB1 ALA 45 -31.580 -5.206 -19.646 1.00 2.21 ATOM 708 HB2 ALA 45 -33.012 -5.914 -20.386 1.00 52.33 ATOM 709 HB3 ALA 45 -32.471 -6.469 -18.807 1.00 4.24 ATOM 710 C ALA 45 -32.625 -3.716 -17.817 1.00 15.23 ATOM 711 O ALA 45 -31.952 -2.774 -18.236 1.00 33.02 ATOM 712 N ASP 46 -32.685 -4.047 -16.532 1.00 22.33 ATOM 713 HN ASP 46 -33.218 -4.834 -16.267 1.00 37.06 ATOM 714 CA ASP 46 -31.944 -3.307 -15.516 1.00 75.43 ATOM 715 HA ASP 46 -32.189 -2.256 -15.618 1.00 15.03 ATOM 716 CB ASP 46 -32.357 -3.767 -14.117 1.00 73.42 ATOM 717 HB1 ASP 46 -31.943 -3.093 -13.382 1.00 37.06 ATOM 718 HB2 ASP 46 -31.980 -4.765 -13.943 1.00 13.42 ATOM 719 CG ASP 46 -33.863 -3.810 -13.942 1.00 43.25 ATOM 720 OD1 ASP 46 -34.416 -2.874 -13.327 1.00 45.13 ATOM 721 OD2 ASP 46 -34.488 -4.778 -14.422 1.00 31.54 ATOM 722 C ASP 46 -30.441 -3.487 -15.701 1.00 41.02 ATOM 723 O ASP 46 -29.841 -4.400 -15.135 1.00 43.01 ATOM 724 N ALA 47 -29.839 -2.610 -16.498 1.00 70.22 ATOM 725 HN ALA 47 -30.376 -1.899 -16.924 1.00 37.06 ATOM 726 CA ALA 47 -28.406 -2.671 -16.757 1.00 61.41 ATOM 727 HA ALA 47 -28.185 -3.630 -17.208 1.00 45.24 ATOM 728 CB ALA 47 -28.001 -1.585 -17.742 1.00 43.02 ATOM 729 HB1 ALA 47 -27.789 -0.657 -17.225 1.00 61.32 ATOM 730 HB2 ALA 47 -28.800 -1.422 -18.453 1.00 72.12 ATOM 731 HB3 ALA 47 -27.130 -1.914 -18.268 1.00 40.43 ATOM 732 C ALA 47 -27.608 -2.540 -15.464 1.00 54.20 ATOM 733 O ALA 47 -26.760 -3.378 -15.159 1.00 43.14 ATOM 734 N TRP 48 -27.886 -1.484 -14.708 1.00 40.34 ATOM 735 HN TRP 48 -28.577 -0.845 -15.008 1.00 37.06 ATOM 736 CA TRP 48 -27.193 -1.243 -13.448 1.00 0.42 ATOM 737 HA TRP 48 -26.152 -1.054 -13.678 1.00 54.21 ATOM 738 CB TRP 48 -27.784 -0.021 -12.743 1.00 2.51 ATOM 739 HB1 TRP 48 -28.722 -0.286 -12.270 1.00 37.06 ATOM 740 HB2 TRP 48 -27.970 0.750 -13.478 1.00 21.11 ATOM 741 CG TRP 48 -26.876 0.561 -11.702 1.00 12.05 ATOM 742 CD1 TRP 48 -25.682 1.189 -11.913 1.00 70.14 ATOM 743 HD1 TRP 48 -25.239 1.344 -12.886 1.00 33.10 ATOM 744 CD2 TRP 48 -27.089 0.566 -10.286 1.00 0.43 ATOM 745 NE1 TRP 48 -25.140 1.584 -10.714 1.00 44.34 ATOM 746 HE1 TRP 48 -24.292 2.058 -10.604 1.00 32.11 ATOM 747 CE2 TRP 48 -25.984 1.215 -9.701 1.00 3.12 ATOM 748 CE3 TRP 48 -28.106 0.089 -9.455 1.00 73.43 ATOM 749 HE3 TRP 48 -28.970 -0.414 -9.863 1.00 35.33 ATOM 750 CZ2 TRP 48 -25.869 1.395 -8.325 1.00 52.20 ATOM 751 HZ2 TRP 48 -25.019 1.894 -7.883 1.00 14.14 ATOM 752 CZ3 TRP 48 -27.991 0.268 -8.090 1.00 60.10 ATOM 753 HZ3 TRP 48 -28.768 -0.095 -7.433 1.00 72.24 ATOM 754 CH2 TRP 48 -26.880 0.917 -7.536 1.00 2.22 ATOM 755 HH2 TRP 48 -26.831 1.034 -6.463 1.00 65.13 ATOM 756 C TRP 48 -27.280 -2.462 -12.537 1.00 34.13 ATOM 757 O TRP 48 -26.267 -2.942 -12.030 1.00 60.30 ATOM 758 N GLN 49 -28.497 -2.958 -12.333 1.00 41.45 ATOM 759 HN GLN 49 -29.272 -2.528 -12.768 1.00 37.06 ATOM 760 CA GLN 49 -28.715 -4.121 -11.482 1.00 63.34 ATOM 761 HA GLN 49 -28.364 -3.878 -10.511 1.00 25.20 ATOM 762 CB GLN 49 -30.207 -4.448 -11.401 1.00 1.43 ATOM 763 HB1 GLN 49 -30.570 -4.596 -12.396 1.00 37.06 ATOM 764 HB2 GLN 49 -30.731 -3.617 -10.956 1.00 43.45 ATOM 765 CG GLN 49 -30.512 -5.705 -10.602 1.00 40.32 ATOM 766 HG1 GLN 49 -30.222 -6.570 -11.180 1.00 37.06 ATOM 767 HG2 GLN 49 -31.575 -5.743 -10.413 1.00 20.11 ATOM 768 CD GLN 49 -29.787 -5.741 -9.271 1.00 54.21 ATOM 769 OE1 GLN 49 -29.220 -6.764 -8.888 1.00 21.04 ATOM 770 NE2 GLN 49 -29.803 -4.621 -8.558 1.00 3.30 ATOM 771 HE21 GLN 49 -30.269 -3.828 -8.898 1.00 1.30 ATOM 772 HE22 GLN 49 -29.354 -4.636 -7.695 1.00 71.15 ATOM 773 C GLN 49 -27.946 -5.330 -12.006 1.00 23.03 ATOM 774 O GLN 49 -27.275 -6.027 -11.245 1.00 34.13 ATOM 775 N GLN 50 -28.048 -5.572 -13.309 1.00 13.44 ATOM 776 HN GLN 50 -28.604 -4.979 -13.869 1.00 37.06 ATOM 777 CA GLN 50 -27.363 -6.697 -13.933 1.00 22.25 ATOM 778 HA GLN 50 -27.661 -7.602 -13.417 1.00 12.25 ATOM 779 CB GLN 50 -27.755 -6.807 -15.407 1.00 41.41 ATOM 780 HB1 GLN 50 -26.998 -7.372 -15.934 1.00 37.06 ATOM 781 HB2 GLN 50 -27.809 -5.816 -15.832 1.00 63.20 ATOM 782 CG GLN 50 -29.089 -7.500 -15.632 1.00 63.31 ATOM 783 HG1 GLN 50 -29.870 -6.904 -15.183 1.00 37.06 ATOM 784 HG2 GLN 50 -29.063 -8.471 -15.159 1.00 2.42 ATOM 785 CD GLN 50 -29.408 -7.689 -17.102 1.00 64.21 ATOM 786 OE1 GLN 50 -29.618 -8.811 -17.564 1.00 41.14 ATOM 787 NE2 GLN 50 -29.445 -6.590 -17.846 1.00 15.21 ATOM 788 HE21 GLN 50 -29.272 -5.718 -17.427 1.00 13.04 ATOM 789 HE22 GLN 50 -29.647 -6.694 -18.799 1.00 54.41 ATOM 790 C GLN 50 -25.850 -6.551 -13.806 1.00 20.31 ATOM 791 O GLN 50 -25.125 -7.543 -13.722 1.00 22.55 ATOM 792 N LEU 51 -25.380 -5.309 -13.794 1.00 25.13 ATOM 793 HN LEU 51 -26.002 -4.549 -13.874 1.00 37.06 ATOM 794 CA LEU 51 -23.952 -5.033 -13.678 1.00 2.24 ATOM 795 HA LEU 51 -23.430 -5.701 -14.350 1.00 42.24 ATOM 796 CB LEU 51 -23.657 -3.588 -14.084 1.00 13.34 ATOM 797 HB1 LEU 51 -24.265 -2.937 -13.473 1.00 37.06 ATOM 798 HB2 LEU 51 -23.963 -3.469 -15.115 1.00 24.25 ATOM 799 CG LEU 51 -22.201 -3.139 -13.958 1.00 50.33 ATOM 800 HG LEU 51 -21.923 -3.119 -12.914 1.00 21.51 ATOM 801 CD1 LEU 51 -21.278 -4.115 -14.671 1.00 32.44 ATOM 802 HD11 LEU 51 -20.262 -3.807 -14.511 1.00 32.24 ATOM 803 HD12 LEU 51 -21.498 -4.127 -15.726 1.00 35.21 ATOM 804 HD13 LEU 51 -21.400 -5.109 -14.268 1.00 13.02 ATOM 805 CD2 LEU 51 -22.026 -1.734 -14.516 1.00 12.42 ATOM 806 HD21 LEU 51 -22.726 -1.061 -14.047 1.00 20.11 ATOM 807 HD22 LEU 51 -22.203 -1.741 -15.583 1.00 21.35 ATOM 808 HD23 LEU 51 -21.019 -1.393 -14.323 1.00 63.44 ATOM 809 C LEU 51 -23.463 -5.283 -12.255 1.00 3.03 ATOM 810 O LEU 51 -22.512 -6.035 -12.036 1.00 53.42 ATOM 811 N LYS 52 -24.120 -4.650 -11.289 1.00 4.32 ATOM 812 HN LYS 52 -24.858 -4.046 -11.535 1.00 37.06 ATOM 813 CA LYS 52 -23.755 -4.805 -9.886 1.00 32.43 ATOM 814 HA LYS 52 -22.707 -4.559 -9.779 1.00 35.13 ATOM 815 CB LYS 52 -24.575 -3.850 -9.015 1.00 72.25 ATOM 816 HB1 LYS 52 -24.363 -2.838 -9.334 1.00 37.06 ATOM 817 HB2 LYS 52 -24.271 -3.962 -7.982 1.00 71.40 ATOM 818 CG LYS 52 -26.073 -4.084 -9.101 1.00 35.33 ATOM 819 HG1 LYS 52 -26.328 -4.969 -8.540 1.00 37.06 ATOM 820 HG2 LYS 52 -26.342 -4.226 -10.118 1.00 10.14 ATOM 821 CD LYS 52 -26.855 -2.898 -8.562 1.00 42.30 ATOM 822 HD1 LYS 52 -27.903 -3.057 -8.716 1.00 37.06 ATOM 823 HD2 LYS 52 -26.545 -2.013 -9.090 1.00 30.54 ATOM 824 CE LYS 52 -26.602 -2.692 -7.076 1.00 41.24 ATOM 825 HE1 LYS 52 -27.263 -1.923 -6.713 1.00 37.06 ATOM 826 HE2 LYS 52 -25.579 -2.380 -6.932 1.00 44.33 ATOM 827 NZ LYS 52 -26.845 -3.936 -6.295 1.00 1.22 ATOM 828 HZ1 LYS 52 -27.731 -4.390 -6.581 1.00 72.44 ATOM 829 HZ2 LYS 52 -26.908 -3.706 -5.283 1.00 72.02 ATOM 830 HZ3 LYS 52 -26.061 -4.606 -6.429 1.00 4.11 ATOM 831 C LYS 52 -23.971 -6.243 -9.424 1.00 11.13 ATOM 832 O LYS 52 -23.225 -6.755 -8.589 1.00 35.15 ATOM 833 N ASP 53 -24.994 -6.889 -9.973 1.00 1.42 ATOM 834 HN ASP 53 -25.567 -6.429 -10.630 1.00 37.06 ATOM 835 CA ASP 53 -25.306 -8.268 -9.619 1.00 30.42 ATOM 836 HA ASP 53 -25.312 -8.350 -8.539 1.00 23.22 ATOM 837 CB ASP 53 -26.690 -8.652 -10.145 1.00 41.12 ATOM 838 HB1 ASP 53 -26.753 -8.399 -11.192 1.00 37.06 ATOM 839 HB2 ASP 53 -27.437 -8.107 -9.601 1.00 4.32 ATOM 840 CG ASP 53 -26.976 -10.133 -9.997 1.00 22.34 ATOM 841 OD1 ASP 53 -27.519 -10.530 -8.945 1.00 10.34 ATOM 842 OD2 ASP 53 -26.655 -10.897 -10.932 1.00 54.50 ATOM 843 C ASP 53 -24.254 -9.223 -10.175 1.00 32.35 ATOM 844 O ASP 53 -23.963 -10.257 -9.575 1.00 23.25 ATOM 845 N GLU 54 -23.689 -8.869 -11.325 1.00 34.23 ATOM 846 HN GLU 54 -23.963 -8.033 -11.769 1.00 37.06 ATOM 847 CA GLU 54 -22.671 -9.696 -11.962 1.00 35.53 ATOM 848 HA GLU 54 -22.965 -10.730 -11.857 1.00 64.22 ATOM 849 CB GLU 54 -22.544 -9.337 -13.444 1.00 35.24 ATOM 850 HB1 GLU 54 -21.548 -9.582 -13.794 1.00 37.06 ATOM 851 HB2 GLU 54 -22.702 -8.275 -13.568 1.00 61.22 ATOM 852 CG GLU 54 -23.534 -10.069 -14.334 1.00 53.04 ATOM 853 HG1 GLU 54 -23.323 -9.824 -15.364 1.00 37.06 ATOM 854 HG2 GLU 54 -24.531 -9.749 -14.086 1.00 42.32 ATOM 855 CD GLU 54 -23.464 -11.575 -14.170 1.00 51.24 ATOM 856 OE1 GLU 54 -24.510 -12.188 -13.870 1.00 10.54 ATOM 857 OE2 GLU 54 -22.364 -12.140 -14.342 1.00 72.33 ATOM 858 C GLU 54 -21.322 -9.529 -11.269 1.00 12.31 ATOM 859 O GLU 54 -20.618 -10.506 -11.011 1.00 10.10 ATOM 860 N LEU 55 -20.968 -8.284 -10.971 1.00 1.41 ATOM 861 HN LEU 55 -21.571 -7.538 -11.205 1.00 37.06 ATOM 862 CA LEU 55 -19.703 -7.986 -10.308 1.00 43.13 ATOM 863 HA LEU 55 -18.919 -8.501 -10.827 1.00 61.31 ATOM 864 CB LEU 55 -19.428 -6.482 -10.343 1.00 1.52 ATOM 865 HB1 LEU 55 -18.540 -6.286 -9.751 1.00 37.06 ATOM 866 HB2 LEU 55 -20.265 -5.979 -9.877 1.00 0.51 ATOM 867 CG LEU 55 -19.216 -5.870 -11.728 1.00 4.41 ATOM 868 HG LEU 55 -20.125 -5.960 -12.299 1.00 24.34 ATOM 869 CD1 LEU 55 -18.880 -4.391 -11.612 1.00 50.24 ATOM 870 HD11 LEU 55 -19.660 -3.880 -11.064 1.00 14.24 ATOM 871 HD12 LEU 55 -18.800 -3.960 -12.600 1.00 71.00 ATOM 872 HD13 LEU 55 -17.941 -4.275 -11.094 1.00 62.24 ATOM 873 CD2 LEU 55 -18.117 -6.611 -12.476 1.00 1.23 ATOM 874 HD21 LEU 55 -17.217 -6.637 -11.877 1.00 25.41 ATOM 875 HD22 LEU 55 -17.908 -6.106 -13.410 1.00 54.55 ATOM 876 HD23 LEU 55 -18.437 -7.618 -12.690 1.00 35.21 ATOM 877 C LEU 55 -19.715 -8.479 -8.865 1.00 64.30 ATOM 878 O LEU 55 -18.760 -9.105 -8.405 1.00 42.35 ATOM 879 N GLU 56 -20.803 -8.195 -8.157 1.00 31.03 ATOM 880 HN GLU 56 -21.534 -7.680 -8.576 1.00 37.06 ATOM 881 CA GLU 56 -20.939 -8.612 -6.766 1.00 0.41 ATOM 882 HA GLU 56 -20.164 -8.120 -6.192 1.00 44.21 ATOM 883 CB GLU 56 -22.308 -8.203 -6.219 1.00 55.14 ATOM 884 HB1 GLU 56 -22.545 -8.819 -5.359 1.00 37.06 ATOM 885 HB2 GLU 56 -23.054 -8.391 -6.976 1.00 72.05 ATOM 886 CG GLU 56 -22.391 -6.741 -5.814 1.00 44.34 ATOM 887 HG1 GLU 56 -23.228 -6.289 -6.321 1.00 37.06 ATOM 888 HG2 GLU 56 -21.484 -6.223 -6.097 1.00 65.41 ATOM 889 CD GLU 56 -22.600 -6.559 -4.324 1.00 31.24 ATOM 890 OE1 GLU 56 -22.046 -7.362 -3.544 1.00 10.21 ATOM 891 OE2 GLU 56 -23.319 -5.614 -3.937 1.00 5.51 ATOM 892 C GLU 56 -20.754 -10.120 -6.629 1.00 72.23 ATOM 893 O GLU 56 -20.343 -10.613 -5.579 1.00 73.23 ATOM 894 N ALA 57 -21.061 -10.847 -7.698 1.00 75.25 ATOM 895 HN ALA 57 -21.433 -10.414 -8.499 1.00 37.06 ATOM 896 CA ALA 57 -20.928 -12.299 -7.699 1.00 53.32 ATOM 897 HA ALA 57 -21.364 -12.685 -6.785 1.00 73.31 ATOM 898 CB ALA 57 -21.696 -12.899 -8.868 1.00 42.51 ATOM 899 HB1 ALA 57 -22.726 -12.577 -8.822 1.00 14.32 ATOM 900 HB2 ALA 57 -21.656 -13.978 -8.813 1.00 1.23 ATOM 901 HB3 ALA 57 -21.260 -12.569 -9.800 1.00 41.12 ATOM 902 C ALA 57 -19.463 -12.715 -7.757 1.00 24.53 ATOM 903 O ALA 57 -19.068 -13.719 -7.162 1.00 44.33 ATOM 904 N LYS 58 -18.659 -11.940 -8.477 1.00 15.53 ATOM 905 HN LYS 58 -19.028 -11.155 -8.944 1.00 37.06 ATOM 906 CA LYS 58 -17.236 -12.227 -8.612 1.00 55.02 ATOM 907 HA LYS 58 -17.127 -13.282 -8.843 1.00 3.21 ATOM 908 CB LYS 58 -16.639 -11.416 -9.764 1.00 62.33 ATOM 909 HB1 LYS 58 -15.600 -11.654 -9.832 1.00 37.06 ATOM 910 HB2 LYS 58 -16.748 -10.362 -9.543 1.00 42.04 ATOM 911 CG LYS 58 -17.269 -11.720 -11.113 1.00 24.13 ATOM 912 HG1 LYS 58 -18.306 -12.004 -10.974 1.00 37.06 ATOM 913 HG2 LYS 58 -16.732 -12.540 -11.568 1.00 63.34 ATOM 914 CD LYS 58 -17.201 -10.520 -12.043 1.00 30.42 ATOM 915 HD1 LYS 58 -16.219 -10.483 -12.486 1.00 37.06 ATOM 916 HD2 LYS 58 -17.378 -9.613 -11.491 1.00 22.05 ATOM 917 CE LYS 58 -18.229 -10.622 -13.159 1.00 63.34 ATOM 918 HE1 LYS 58 -18.348 -9.646 -13.606 1.00 37.06 ATOM 919 HE2 LYS 58 -19.173 -10.946 -12.757 1.00 72.41 ATOM 920 NZ LYS 58 -17.806 -11.583 -14.216 1.00 52.11 ATOM 921 HZ1 LYS 58 -16.775 -11.721 -14.217 1.00 53.23 ATOM 922 HZ2 LYS 58 -18.092 -11.228 -15.150 1.00 73.21 ATOM 923 HZ3 LYS 58 -18.265 -12.504 -14.059 1.00 73.04 ATOM 924 C LYS 58 -16.493 -11.915 -7.318 1.00 3.25 ATOM 925 O LYS 58 -16.590 -10.809 -6.785 1.00 14.21 ATOM 926 N HIS 59 -15.748 -12.896 -6.817 1.00 12.43 ATOM 927 HN HIS 59 -15.694 -13.758 -7.295 1.00 37.06 ATOM 928 CA HIS 59 -14.986 -12.724 -5.585 1.00 62.21 ATOM 929 HA HIS 59 -15.549 -12.081 -4.916 1.00 51.25 ATOM 930 CB HIS 59 -14.768 -14.075 -4.903 1.00 61.10 ATOM 931 HB1 HIS 59 -14.022 -13.974 -4.124 1.00 37.06 ATOM 932 HB2 HIS 59 -14.420 -14.789 -5.634 1.00 73.52 ATOM 933 CG HIS 59 -16.006 -14.633 -4.271 1.00 24.41 ATOM 934 ND1 HIS 59 -15.993 -15.720 -3.423 1.00 23.54 ATOM 935 HD1 HIS 59 -15.198 -16.226 -3.154 1.00 35.02 ATOM 936 CD2 HIS 59 -17.300 -14.248 -4.366 1.00 45.31 ATOM 937 HD2 HIS 59 -17.682 -13.422 -4.950 1.00 61.32 ATOM 938 CE1 HIS 59 -17.225 -15.980 -3.025 1.00 33.42 ATOM 939 HE1 HIS 59 -17.518 -16.775 -2.356 1.00 4.12 ATOM 940 NE2 HIS 59 -18.037 -15.101 -3.583 1.00 14.33 ATOM 941 HE2 HIS 59 -19.015 -15.122 -3.529 1.00 37.06 ATOM 942 C HIS 59 -13.641 -12.060 -5.866 1.00 72.34 ATOM 943 O HIS 59 -12.973 -11.578 -4.952 1.00 13.40 ATOM 944 N TRP 60 -13.251 -12.041 -7.136 1.00 0.43 ATOM 945 HN TRP 60 -13.821 -12.427 -7.821 1.00 37.06 ATOM 946 CA TRP 60 -11.985 -11.437 -7.537 1.00 14.53 ATOM 947 HA TRP 60 -11.306 -11.445 -6.692 1.00 74.21 ATOM 948 CB TRP 60 -11.348 -12.243 -8.669 1.00 62.30 ATOM 949 HB1 TRP 60 -11.359 -13.291 -8.405 1.00 37.06 ATOM 950 HB2 TRP 60 -10.324 -11.922 -8.797 1.00 73.02 ATOM 951 CG TRP 60 -12.057 -12.089 -9.981 1.00 4.34 ATOM 952 CD1 TRP 60 -13.255 -12.640 -10.335 1.00 23.43 ATOM 953 HD1 TRP 60 -13.848 -13.276 -9.697 1.00 54.45 ATOM 954 CD2 TRP 60 -11.610 -11.334 -11.112 1.00 60.13 ATOM 955 NE1 TRP 60 -13.580 -12.274 -11.619 1.00 23.24 ATOM 956 HE1 TRP 60 -14.391 -12.542 -12.099 1.00 45.42 ATOM 957 CE2 TRP 60 -12.588 -11.472 -12.117 1.00 65.11 ATOM 958 CE3 TRP 60 -10.481 -10.554 -11.374 1.00 42.40 ATOM 959 HE3 TRP 60 -9.709 -10.426 -10.633 1.00 32.32 ATOM 960 CZ2 TRP 60 -12.467 -10.859 -13.362 1.00 30.44 ATOM 961 HZ2 TRP 60 -13.211 -10.976 -14.123 1.00 4.42 ATOM 962 CZ3 TRP 60 -10.363 -9.946 -12.610 1.00 24.43 ATOM 963 HZ3 TRP 60 -9.510 -9.357 -12.823 1.00 55.23 ATOM 964 CH2 TRP 60 -11.351 -10.101 -13.591 1.00 32.24 ATOM 965 HH2 TRP 60 -11.221 -9.595 -14.518 1.00 51.14 ATOM 966 C TRP 60 -12.188 -9.991 -7.977 1.00 44.11 ATOM 967 O TRP 60 -11.378 -9.441 -8.724 1.00 65.31 ATOM 968 N ILE 61 -13.272 -9.381 -7.510 1.00 43.23 ATOM 969 HN ILE 61 -13.886 -9.836 -6.909 1.00 37.06 ATOM 970 CA ILE 61 -13.578 -7.998 -7.856 1.00 32.32 ATOM 971 HA ILE 61 -12.861 -7.652 -8.596 1.00 61.23 ATOM 972 CB ILE 61 -14.988 -7.869 -8.463 1.00 4.11 ATOM 973 HB ILE 61 -15.625 -8.621 -8.019 1.00 3.20 ATOM 974 CG1 ILE 61 -14.937 -8.088 -9.976 1.00 61.04 ATOM 975 HG11 ILE 61 -14.398 -7.272 -10.439 1.00 37.06 ATOM 976 HG12 ILE 61 -15.944 -8.114 -10.365 1.00 61.04 ATOM 977 CG2 ILE 61 -15.581 -6.506 -8.139 1.00 43.21 ATOM 978 HG21 ILE 61 -14.875 -5.718 -8.374 1.00 54.20 ATOM 979 HG22 ILE 61 -15.863 -6.454 -7.098 1.00 43.25 ATOM 980 HG23 ILE 61 -16.472 -6.360 -8.735 1.00 10.22 ATOM 981 CD1 ILE 61 -14.254 -9.376 -10.378 1.00 25.42 ATOM 982 HD11 ILE 61 -13.202 -9.182 -10.520 1.00 64.14 ATOM 983 HD12 ILE 61 -14.673 -9.734 -11.299 1.00 54.10 ATOM 984 HD13 ILE 61 -14.373 -10.120 -9.616 1.00 53.44 ATOM 985 C ILE 61 -13.478 -7.091 -6.634 1.00 62.22 ATOM 986 O ILE 61 -14.150 -7.312 -5.627 1.00 60.15 ATOM 987 N ALA 62 -12.635 -6.068 -6.731 1.00 63.33 ATOM 988 HN ALA 62 -12.129 -5.935 -7.568 1.00 37.06 ATOM 989 CA ALA 62 -12.449 -5.125 -5.636 1.00 11.21 ATOM 990 HA ALA 62 -12.312 -5.690 -4.720 1.00 54.04 ATOM 991 CB ALA 62 -11.193 -4.296 -5.860 1.00 51.14 ATOM 992 HB1 ALA 62 -11.043 -3.628 -5.023 1.00 44.12 ATOM 993 HB2 ALA 62 -11.288 -3.721 -6.766 1.00 24.35 ATOM 994 HB3 ALA 62 -10.342 -4.955 -5.944 1.00 43.13 ATOM 995 C ALA 62 -13.664 -4.216 -5.482 1.00 32.52 ATOM 996 O ALA 62 -14.363 -3.930 -6.453 1.00 43.24 ATOM 997 N GLU 63 -13.910 -3.768 -4.255 1.00 13.21 ATOM 998 HN GLU 63 -13.312 -4.034 -3.515 1.00 37.06 ATOM 999 CA GLU 63 -15.043 -2.893 -3.975 1.00 22.00 ATOM 1000 HA GLU 63 -15.947 -3.428 -4.224 1.00 5.23 ATOM 1001 CB GLU 63 -15.081 -2.531 -2.489 1.00 1.22 ATOM 1002 HB1 GLU 63 -14.137 -2.078 -2.218 1.00 37.06 ATOM 1003 HB2 GLU 63 -15.213 -3.437 -1.915 1.00 41.32 ATOM 1004 CG GLU 63 -16.200 -1.570 -2.125 1.00 35.20 ATOM 1005 HG1 GLU 63 -17.147 -2.052 -2.316 1.00 37.06 ATOM 1006 HG2 GLU 63 -16.123 -0.678 -2.727 1.00 41.40 ATOM 1007 CD GLU 63 -16.158 -1.150 -0.669 1.00 11.43 ATOM 1008 OE1 GLU 63 -16.923 -0.237 -0.293 1.00 15.00 ATOM 1009 OE2 GLU 63 -15.360 -1.732 0.095 1.00 70.13 ATOM 1010 C GLU 63 -14.970 -1.623 -4.818 1.00 14.24 ATOM 1011 O GLU 63 -15.868 -1.339 -5.610 1.00 62.34 ATOM 1012 N ALA 64 -13.896 -0.862 -4.639 1.00 3.32 ATOM 1013 HN ALA 64 -13.209 -1.142 -3.987 1.00 37.06 ATOM 1014 CA ALA 64 -13.705 0.377 -5.383 1.00 4.12 ATOM 1015 HA ALA 64 -14.466 1.077 -5.069 1.00 53.22 ATOM 1016 CB ALA 64 -12.346 0.982 -5.061 1.00 32.03 ATOM 1017 HB1 ALA 64 -12.269 1.141 -3.995 1.00 62.31 ATOM 1018 HB2 ALA 64 -12.238 1.929 -5.572 1.00 52.11 ATOM 1019 HB3 ALA 64 -11.563 0.308 -5.380 1.00 72.52 ATOM 1020 C ALA 64 -13.839 0.143 -6.884 1.00 31.55 ATOM 1021 O ALA 64 -14.195 1.051 -7.634 1.00 43.31 ATOM 1022 N ASP 65 -13.552 -1.081 -7.314 1.00 40.23 ATOM 1023 HN ASP 65 -13.215 -1.756 -6.685 1.00 37.06 ATOM 1024 CA ASP 65 -13.641 -1.435 -8.726 1.00 52.12 ATOM 1025 HA ASP 65 -13.172 -0.645 -9.299 1.00 21.52 ATOM 1026 CB ASP 65 -12.924 -2.760 -8.988 1.00 3.00 ATOM 1027 HB1 ASP 65 -13.483 -3.349 -9.705 1.00 37.06 ATOM 1028 HB2 ASP 65 -12.839 -3.320 -8.078 1.00 23.10 ATOM 1029 CG ASP 65 -11.530 -2.562 -9.552 1.00 75.31 ATOM 1030 OD1 ASP 65 -10.612 -3.297 -9.133 1.00 43.23 ATOM 1031 OD2 ASP 65 -11.359 -1.673 -10.412 1.00 3.43 ATOM 1032 C ASP 65 -15.097 -1.534 -9.171 1.00 32.15 ATOM 1033 O ASP 65 -15.497 -0.921 -10.160 1.00 75.34 ATOM 1034 N ARG 66 -15.884 -2.310 -8.433 1.00 32.43 ATOM 1035 HN ARG 66 -15.506 -2.770 -7.645 1.00 37.06 ATOM 1036 CA ARG 66 -17.295 -2.492 -8.752 1.00 50.31 ATOM 1037 HA ARG 66 -17.373 -2.746 -9.792 1.00 21.44 ATOM 1038 CB ARG 66 -17.883 -3.639 -7.928 1.00 40.05 ATOM 1039 HB1 ARG 66 -17.236 -4.487 -8.006 1.00 37.06 ATOM 1040 HB2 ARG 66 -18.849 -3.896 -8.341 1.00 34.40 ATOM 1041 CG ARG 66 -18.058 -3.305 -6.456 1.00 44.41 ATOM 1042 HG1 ARG 66 -18.601 -2.384 -6.338 1.00 37.06 ATOM 1043 HG2 ARG 66 -17.091 -3.218 -6.007 1.00 71.50 ATOM 1044 CD ARG 66 -18.826 -4.394 -5.725 1.00 13.12 ATOM 1045 HD1 ARG 66 -18.230 -5.295 -5.757 1.00 37.06 ATOM 1046 HD2 ARG 66 -19.768 -4.564 -6.230 1.00 54.03 ATOM 1047 NE ARG 66 -19.095 -4.035 -4.335 1.00 23.43 ATOM 1048 HE ARG 66 -19.047 -3.082 -4.088 1.00 32.03 ATOM 1049 CZ ARG 66 -19.406 -4.920 -3.394 1.00 61.54 ATOM 1050 NH1 ARG 66 -19.487 -6.210 -3.694 1.00 11.45 ATOM 1051 HH11 ARG 66 -19.323 -6.545 -4.618 1.00 0.21 ATOM 1052 HH12 ARG 66 -19.718 -6.869 -2.975 1.00 74.23 ATOM 1053 NH2 ARG 66 -19.636 -4.517 -2.152 1.00 13.34 ATOM 1054 HH21 ARG 66 -19.576 -3.544 -1.919 1.00 42.33 ATOM 1055 HH22 ARG 66 -19.871 -5.183 -1.441 1.00 24.42 ATOM 1056 C ARG 66 -18.081 -1.210 -8.492 1.00 5.33 ATOM 1057 O ARG 66 -19.060 -0.919 -9.180 1.00 25.51 ATOM 1058 N ILE 67 -17.645 -0.448 -7.494 1.00 51.53 ATOM 1059 HN ILE 67 -16.863 -0.728 -6.969 1.00 37.06 ATOM 1060 CA ILE 67 -18.307 0.803 -7.144 1.00 31.11 ATOM 1061 HA ILE 67 -19.375 0.642 -7.149 1.00 64.25 ATOM 1062 CB ILE 67 -17.883 1.292 -5.747 1.00 2.25 ATOM 1063 HB ILE 67 -16.805 1.358 -5.724 1.00 43.30 ATOM 1064 CG1 ILE 67 -18.347 0.305 -4.674 1.00 20.12 ATOM 1065 HG11 ILE 67 -18.025 0.653 -3.703 1.00 37.06 ATOM 1066 HG12 ILE 67 -17.915 -0.661 -4.862 1.00 34.53 ATOM 1067 CG2 ILE 67 -18.447 2.679 -5.477 1.00 42.32 ATOM 1068 HG21 ILE 67 -19.493 2.716 -5.752 1.00 74.12 ATOM 1069 HG22 ILE 67 -17.899 3.415 -6.046 1.00 25.40 ATOM 1070 HG23 ILE 67 -18.350 2.915 -4.425 1.00 34.13 ATOM 1071 CD1 ILE 67 -19.848 0.124 -4.628 1.00 11.54 ATOM 1072 HD11 ILE 67 -20.341 1.080 -4.546 1.00 14.22 ATOM 1073 HD12 ILE 67 -20.103 -0.477 -3.768 1.00 22.01 ATOM 1074 HD13 ILE 67 -20.184 -0.381 -5.520 1.00 2.21 ATOM 1075 C ILE 67 -18.001 1.892 -8.166 1.00 51.22 ATOM 1076 O ILE 67 -18.875 2.677 -8.532 1.00 62.13 ATOM 1077 N ASN 68 -16.754 1.932 -8.625 1.00 11.54 ATOM 1078 HN ASN 68 -16.091 1.282 -8.292 1.00 37.06 ATOM 1079 CA ASN 68 -16.332 2.925 -9.606 1.00 75.05 ATOM 1080 HA ASN 68 -16.638 3.902 -9.255 1.00 63.31 ATOM 1081 CB ASN 68 -14.809 2.913 -9.753 1.00 15.35 ATOM 1082 HB1 ASN 68 -14.463 1.890 -9.758 1.00 37.06 ATOM 1083 HB2 ASN 68 -14.368 3.434 -8.917 1.00 22.03 ATOM 1084 CG ASN 68 -14.346 3.581 -11.033 1.00 73.10 ATOM 1085 OD1 ASN 68 -14.357 4.807 -11.146 1.00 61.30 ATOM 1086 ND2 ASN 68 -13.937 2.775 -12.006 1.00 21.23 ATOM 1087 HD21 ASN 68 -13.963 1.801 -11.866 1.00 53.02 ATOM 1088 HD22 ASN 68 -13.587 3.185 -12.818 1.00 65.21 ATOM 1089 C ASN 68 -16.986 2.663 -10.960 1.00 13.21 ATOM 1090 O ASN 68 -17.586 3.558 -11.555 1.00 54.22 ATOM 1091 N VAL 69 -16.866 1.430 -11.440 1.00 73.53 ATOM 1092 HN VAL 69 -16.352 0.767 -10.923 1.00 37.06 ATOM 1093 CA VAL 69 -17.447 1.049 -12.722 1.00 63.53 ATOM 1094 HA VAL 69 -16.982 1.636 -13.487 1.00 62.31 ATOM 1095 CB VAL 69 -17.193 -0.438 -13.034 1.00 24.42 ATOM 1096 HB VAL 69 -17.679 -0.687 -13.969 1.00 64.22 ATOM 1097 CG1 VAL 69 -15.704 -0.703 -13.199 1.00 2.34 ATOM 1098 HG11 VAL 69 -15.358 -0.216 -14.099 1.00 2.33 ATOM 1099 HG12 VAL 69 -15.525 -1.767 -13.284 1.00 5.04 ATOM 1100 HG13 VAL 69 -15.157 -0.314 -12.358 1.00 30.44 ATOM 1101 CG2 VAL 69 -17.781 -1.319 -11.942 1.00 32.10 ATOM 1102 HG21 VAL 69 -18.845 -1.416 -12.097 1.00 55.22 ATOM 1103 HG22 VAL 69 -17.605 -0.889 -10.989 1.00 32.04 ATOM 1104 HG23 VAL 69 -17.328 -2.297 -11.979 1.00 23.02 ATOM 1105 C VAL 69 -18.948 1.312 -12.746 1.00 32.02 ATOM 1106 O VAL 69 -19.513 1.655 -13.785 1.00 53.01 ATOM 1107 N LEU 70 -19.590 1.150 -11.594 1.00 4.11 ATOM 1108 HN LEU 70 -19.093 0.865 -10.792 1.00 37.06 ATOM 1109 CA LEU 70 -21.027 1.371 -11.481 1.00 12.00 ATOM 1110 HA LEU 70 -21.508 0.941 -12.351 1.00 55.12 ATOM 1111 CB LEU 70 -21.571 0.690 -10.224 1.00 24.22 ATOM 1112 HB1 LEU 70 -22.496 1.171 -9.930 1.00 37.06 ATOM 1113 HB2 LEU 70 -20.851 0.854 -9.430 1.00 64.25 ATOM 1114 CG LEU 70 -21.831 -0.813 -10.334 1.00 53.12 ATOM 1115 HG LEU 70 -21.002 -1.283 -10.846 1.00 23.02 ATOM 1116 CD1 LEU 70 -21.938 -1.439 -8.952 1.00 53.04 ATOM 1117 HD11 LEU 70 -22.854 -1.117 -8.476 1.00 12.31 ATOM 1118 HD12 LEU 70 -21.105 -1.144 -8.337 1.00 13.13 ATOM 1119 HD13 LEU 70 -21.948 -2.514 -9.047 1.00 52.40 ATOM 1120 CD2 LEU 70 -23.094 -1.077 -11.141 1.00 33.33 ATOM 1121 HD21 LEU 70 -23.196 -2.139 -11.312 1.00 4.35 ATOM 1122 HD22 LEU 70 -23.037 -0.567 -12.088 1.00 23.32 ATOM 1123 HD23 LEU 70 -23.956 -0.719 -10.596 1.00 55.21 ATOM 1124 C LEU 70 -21.348 2.862 -11.444 1.00 63.12 ATOM 1125 O LEU 70 -22.306 3.316 -12.068 1.00 1.24 ATOM 1126 N ASN 71 -20.537 3.618 -10.711 1.00 14.23 ATOM 1127 HN ASN 71 -19.790 3.198 -10.222 1.00 37.06 ATOM 1128 CA ASN 71 -20.734 5.059 -10.594 1.00 22.40 ATOM 1129 HA ASN 71 -21.725 5.232 -10.193 1.00 2.55 ATOM 1130 CB ASN 71 -19.689 5.662 -9.654 1.00 3.33 ATOM 1131 HB1 ASN 71 -19.608 6.728 -9.831 1.00 37.06 ATOM 1132 HB2 ASN 71 -18.730 5.201 -9.846 1.00 74.23 ATOM 1133 CG ASN 71 -20.040 5.460 -8.192 1.00 55.44 ATOM 1134 OD1 ASN 71 -21.214 5.366 -7.832 1.00 61.43 ATOM 1135 ND2 ASN 71 -19.022 5.394 -7.343 1.00 12.14 ATOM 1136 HD21 ASN 71 -18.104 5.477 -7.688 1.00 24.12 ATOM 1137 HD22 ASN 71 -19.228 5.264 -6.394 1.00 10.40 ATOM 1138 C ASN 71 -20.653 5.731 -11.961 1.00 51.11 ATOM 1139 O ASN 71 -21.503 6.549 -12.312 1.00 74.51 ATOM 1140 N GLN 72 -19.625 5.380 -12.727 1.00 54.14 ATOM 1141 HN GLN 72 -18.962 4.749 -12.368 1.00 37.06 ATOM 1142 CA GLN 72 -19.434 5.950 -14.056 1.00 20.12 ATOM 1143 HA GLN 72 -19.437 7.029 -13.966 1.00 43.02 ATOM 1144 CB GLN 72 -18.087 5.511 -14.633 1.00 0.23 ATOM 1145 HB1 GLN 72 -17.313 5.920 -14.006 1.00 37.06 ATOM 1146 HB2 GLN 72 -17.978 5.919 -15.631 1.00 25.51 ATOM 1147 CG GLN 72 -17.921 4.002 -14.711 1.00 53.25 ATOM 1148 HG1 GLN 72 -18.544 3.622 -15.493 1.00 37.06 ATOM 1149 HG2 GLN 72 -18.211 3.573 -13.787 1.00 42.11 ATOM 1150 CD GLN 72 -16.490 3.586 -14.986 1.00 23.33 ATOM 1151 OE1 GLN 72 -16.221 2.816 -15.908 1.00 62.33 ATOM 1152 NE2 GLN 72 -15.561 4.094 -14.184 1.00 31.11 ATOM 1153 HE21 GLN 72 -15.820 4.690 -13.449 1.00 10.11 ATOM 1154 HE22 GLN 72 -14.632 3.865 -14.380 1.00 1.11 ATOM 1155 C GLN 72 -20.562 5.534 -14.994 1.00 51.32 ATOM 1156 O GLN 72 -20.938 6.281 -15.897 1.00 54.10 ATOM 1157 N ALA 73 -21.097 4.338 -14.774 1.00 74.14 ATOM 1158 HN ALA 73 -20.749 3.773 -14.045 1.00 37.06 ATOM 1159 CA ALA 73 -22.184 3.824 -15.599 1.00 64.23 ATOM 1160 HA ALA 73 -21.898 3.920 -16.640 1.00 54.41 ATOM 1161 CB ALA 73 -22.410 2.347 -15.313 1.00 63.45 ATOM 1162 HB1 ALA 73 -23.126 1.947 -16.017 1.00 24.34 ATOM 1163 HB2 ALA 73 -22.785 2.222 -14.306 1.00 31.41 ATOM 1164 HB3 ALA 73 -21.477 1.817 -15.411 1.00 53.21 ATOM 1165 C ALA 73 -23.468 4.612 -15.369 1.00 35.13 ATOM 1166 O ALA 73 -24.138 5.020 -16.318 1.00 74.02 ATOM 1167 N THR 74 -23.809 4.823 -14.101 1.00 24.11 ATOM 1168 HN THR 74 -23.238 4.465 -13.380 1.00 37.06 ATOM 1169 CA THR 74 -25.014 5.561 -13.746 1.00 33.54 ATOM 1170 HA THR 74 -25.868 4.978 -14.062 1.00 52.32 ATOM 1171 CB THR 74 -25.113 5.777 -12.224 1.00 24.44 ATOM 1172 HB THR 74 -24.241 6.326 -11.893 1.00 64.41 ATOM 1173 OG1 THR 74 -25.150 4.513 -11.551 1.00 13.22 ATOM 1174 HG1 THR 74 -24.256 4.182 -11.437 1.00 73.13 ATOM 1175 CG2 THR 74 -26.354 6.582 -11.871 1.00 1.14 ATOM 1176 HG21 THR 74 -27.212 6.200 -12.409 1.00 11.24 ATOM 1177 HG22 THR 74 -26.202 7.621 -12.123 1.00 11.42 ATOM 1178 HG23 THR 74 -26.538 6.500 -10.810 1.00 34.24 ATOM 1179 C THR 74 -25.056 6.915 -14.443 1.00 41.15 ATOM 1180 O THR 74 -26.099 7.333 -14.944 1.00 53.21 ATOM 1181 N GLU 75 -23.914 7.596 -14.473 1.00 73.32 ATOM 1182 HN GLU 75 -23.110 7.207 -14.055 1.00 37.06 ATOM 1183 CA GLU 75 -23.822 8.904 -15.111 1.00 12.05 ATOM 1184 HA GLU 75 -24.480 9.581 -14.584 1.00 3.12 ATOM 1185 CB GLU 75 -22.391 9.439 -15.023 1.00 72.35 ATOM 1186 HB1 GLU 75 -22.369 10.430 -15.447 1.00 37.06 ATOM 1187 HB2 GLU 75 -21.739 8.791 -15.590 1.00 63.10 ATOM 1188 CG GLU 75 -21.855 9.515 -13.604 1.00 14.43 ATOM 1189 HG1 GLU 75 -21.337 8.598 -13.389 1.00 37.06 ATOM 1190 HG2 GLU 75 -22.675 9.638 -12.908 1.00 23.34 ATOM 1191 CD GLU 75 -20.888 10.666 -13.407 1.00 3.13 ATOM 1192 OE1 GLU 75 -19.683 10.402 -13.209 1.00 54.23 ATOM 1193 OE2 GLU 75 -21.336 11.831 -13.450 1.00 43.23 ATOM 1194 C GLU 75 -24.261 8.830 -16.570 1.00 53.31 ATOM 1195 O GLU 75 -25.105 9.608 -17.016 1.00 41.14 ATOM 1196 N VAL 76 -23.682 7.889 -17.309 1.00 53.54 ATOM 1197 HN VAL 76 -23.032 7.282 -16.885 1.00 37.06 ATOM 1198 CA VAL 76 -24.013 7.713 -18.718 1.00 72.23 ATOM 1199 HA VAL 76 -23.787 8.628 -19.238 1.00 3.40 ATOM 1200 CB VAL 76 -23.189 6.576 -19.350 1.00 64.42 ATOM 1201 HB VAL 76 -23.403 5.659 -18.817 1.00 63.41 ATOM 1202 CG1 VAL 76 -23.577 6.380 -20.808 1.00 15.03 ATOM 1203 HG11 VAL 76 -23.616 7.338 -21.312 1.00 71.32 ATOM 1204 HG12 VAL 76 -24.544 5.904 -20.868 1.00 73.22 ATOM 1205 HG13 VAL 76 -22.861 5.762 -21.295 1.00 2.35 ATOM 1206 CG2 VAL 76 -21.700 6.862 -19.221 1.00 32.13 ATOM 1207 HG21 VAL 76 -21.434 7.003 -18.187 1.00 11.32 ATOM 1208 HG22 VAL 76 -21.453 7.748 -19.776 1.00 64.43 ATOM 1209 HG23 VAL 76 -21.141 6.027 -19.618 1.00 11.34 ATOM 1210 C VAL 76 -25.497 7.412 -18.901 1.00 4.11 ATOM 1211 O VAL 76 -26.175 8.052 -19.705 1.00 35.23 ATOM 1212 N ILE 77 -25.993 6.435 -18.149 1.00 55.45 ATOM 1213 HN ILE 77 -25.401 5.980 -17.506 1.00 37.06 ATOM 1214 CA ILE 77 -27.397 6.051 -18.227 1.00 54.13 ATOM 1215 HA ILE 77 -27.598 5.716 -19.238 1.00 73.52 ATOM 1216 CB ILE 77 -27.720 4.897 -17.260 1.00 24.20 ATOM 1217 HB ILE 77 -27.519 5.231 -16.251 1.00 72.33 ATOM 1218 CG1 ILE 77 -26.840 3.684 -17.568 1.00 63.40 ATOM 1219 HG11 ILE 77 -25.804 3.963 -17.550 1.00 37.06 ATOM 1220 HG12 ILE 77 -27.082 3.310 -18.553 1.00 21.43 ATOM 1221 CG2 ILE 77 -29.192 4.526 -17.350 1.00 14.35 ATOM 1222 HG21 ILE 77 -29.816 5.370 -17.110 1.00 72.33 ATOM 1223 HG22 ILE 77 -29.413 3.731 -16.654 1.00 34.24 ATOM 1224 HG23 ILE 77 -29.403 4.191 -18.348 1.00 51.23 ATOM 1225 CD1 ILE 77 -27.020 2.543 -16.591 1.00 5.01 ATOM 1226 HD11 ILE 77 -26.262 1.800 -16.768 1.00 43.31 ATOM 1227 HD12 ILE 77 -27.994 2.099 -16.729 1.00 20.11 ATOM 1228 HD13 ILE 77 -26.931 2.911 -15.578 1.00 61.31 ATOM 1229 C ILE 77 -28.309 7.232 -17.913 1.00 1.51 ATOM 1230 O ILE 77 -29.407 7.343 -18.456 1.00 13.44 ATOM 1231 N ASN 78 -27.844 8.114 -17.034 1.00 1.03 ATOM 1232 HN ASN 78 -26.961 7.975 -16.621 1.00 37.06 ATOM 1233 CA ASN 78 -28.617 9.289 -16.648 1.00 21.14 ATOM 1234 HA ASN 78 -29.657 9.000 -16.553 1.00 31.02 ATOM 1235 CB ASN 78 -28.114 9.840 -15.312 1.00 22.33 ATOM 1236 HB1 ASN 78 -28.328 10.901 -15.246 1.00 37.06 ATOM 1237 HB2 ASN 78 -27.045 9.695 -15.242 1.00 45.10 ATOM 1238 CG ASN 78 -28.769 9.163 -14.124 1.00 33.35 ATOM 1239 OD1 ASN 78 -29.826 8.544 -14.253 1.00 24.44 ATOM 1240 ND2 ASN 78 -28.144 9.278 -12.958 1.00 1.12 ATOM 1241 HD21 ASN 78 -27.302 9.785 -12.914 1.00 13.42 ATOM 1242 HD22 ASN 78 -28.552 8.847 -12.178 1.00 73.42 ATOM 1243 C ASN 78 -28.534 10.371 -17.720 1.00 33.10 ATOM 1244 O ASN 78 -29.521 11.046 -18.013 1.00 52.22 ATOM 1245 N PHE 79 -27.351 10.530 -18.303 1.00 24.34 ATOM 1246 HN PHE 79 -26.592 9.967 -18.024 1.00 37.06 ATOM 1247 CA PHE 79 -27.138 11.530 -19.343 1.00 33.34 ATOM 1248 HA PHE 79 -27.444 12.492 -18.947 1.00 41.20 ATOM 1249 CB PHE 79 -25.658 11.592 -19.725 1.00 51.30 ATOM 1250 HB1 PHE 79 -25.416 10.768 -20.388 1.00 37.06 ATOM 1251 HB2 PHE 79 -25.062 11.491 -18.825 1.00 44.33 ATOM 1252 CG PHE 79 -25.269 12.873 -20.406 1.00 44.01 ATOM 1253 CD1 PHE 79 -25.599 13.095 -21.733 1.00 45.44 ATOM 1254 HD1 PHE 79 -26.141 12.339 -22.284 1.00 51.40 ATOM 1255 CD2 PHE 79 -24.573 13.855 -19.719 1.00 70.21 ATOM 1256 HD2 PHE 79 -24.308 13.696 -18.683 1.00 74.21 ATOM 1257 CE1 PHE 79 -25.241 14.273 -22.363 1.00 25.35 ATOM 1258 HE1 PHE 79 -25.487 14.431 -23.396 1.00 50.22 ATOM 1259 CE2 PHE 79 -24.213 15.034 -20.343 1.00 3.41 ATOM 1260 HE2 PHE 79 -23.671 15.791 -19.796 1.00 52.53 ATOM 1261 CZ PHE 79 -24.548 15.244 -21.666 1.00 61.12 ATOM 1262 HZ PHE 79 -24.267 16.165 -22.156 1.00 2.33 ATOM 1263 C PHE 79 -27.981 11.219 -20.576 1.00 32.10 ATOM 1264 O PHE 79 -28.565 12.116 -21.184 1.00 14.15 ATOM 1265 N TRP 80 -28.038 9.943 -20.940 1.00 32.04 ATOM 1266 HN TRP 80 -27.538 9.267 -20.424 1.00 37.06 ATOM 1267 CA TRP 80 -28.809 9.513 -22.101 1.00 42.10 ATOM 1268 HA TRP 80 -28.413 10.016 -22.972 1.00 14.41 ATOM 1269 CB TRP 80 -28.670 8.003 -22.300 1.00 73.11 ATOM 1270 HB1 TRP 80 -28.895 7.504 -21.368 1.00 37.06 ATOM 1271 HB2 TRP 80 -27.652 7.777 -22.584 1.00 73.34 ATOM 1272 CG TRP 80 -29.585 7.456 -23.354 1.00 51.42 ATOM 1273 CD1 TRP 80 -29.318 7.334 -24.688 1.00 21.12 ATOM 1274 HD1 TRP 80 -28.397 7.615 -25.147 1.00 0.20 ATOM 1275 CD2 TRP 80 -30.914 6.961 -23.162 1.00 34.30 ATOM 1276 NE1 TRP 80 -30.401 6.792 -25.336 1.00 73.24 ATOM 1277 HE1 TRP 80 -30.454 6.605 -26.297 1.00 42.04 ATOM 1278 CE2 TRP 80 -31.393 6.553 -24.422 1.00 53.15 ATOM 1279 CE3 TRP 80 -31.746 6.820 -22.048 1.00 20.52 ATOM 1280 HE3 TRP 80 -31.417 7.128 -21.070 1.00 31.21 ATOM 1281 CZ2 TRP 80 -32.666 6.016 -24.597 1.00 0.02 ATOM 1282 HZ2 TRP 80 -33.022 5.722 -25.551 1.00 71.41 ATOM 1283 CZ3 TRP 80 -33.009 6.287 -22.223 1.00 21.44 ATOM 1284 HZ3 TRP 80 -33.665 6.171 -21.373 1.00 40.41 ATOM 1285 CH2 TRP 80 -33.459 5.889 -23.489 1.00 1.43 ATOM 1286 HH2 TRP 80 -34.454 5.478 -23.579 1.00 64.54 ATOM 1287 C TRP 80 -30.279 9.885 -21.947 1.00 13.33 ATOM 1288 O TRP 80 -30.935 10.272 -22.914 1.00 3.44 ATOM 1289 N GLN 81 -30.791 9.766 -20.726 1.00 24.43 ATOM 1290 HN GLN 81 -30.222 9.444 -19.988 1.00 37.06 ATOM 1291 CA GLN 81 -32.185 10.090 -20.447 1.00 23.42 ATOM 1292 HA GLN 81 -32.802 9.601 -21.192 1.00 42.53 ATOM 1293 CB GLN 81 -32.583 9.573 -19.063 1.00 53.12 ATOM 1294 HB1 GLN 81 -32.043 10.131 -18.309 1.00 37.06 ATOM 1295 HB2 GLN 81 -32.299 8.532 -18.986 1.00 31.11 ATOM 1296 CG GLN 81 -34.070 9.700 -18.772 1.00 22.24 ATOM 1297 HG1 GLN 81 -34.441 10.656 -19.104 1.00 37.06 ATOM 1298 HG2 GLN 81 -34.206 9.630 -17.702 1.00 1.52 ATOM 1299 CD GLN 81 -34.887 8.598 -19.416 1.00 71.15 ATOM 1300 OE1 GLN 81 -34.983 7.490 -18.888 1.00 62.21 ATOM 1301 NE2 GLN 81 -35.482 8.897 -20.565 1.00 73.22 ATOM 1302 HE21 GLN 81 -35.371 9.799 -20.942 1.00 23.23 ATOM 1303 HE22 GLN 81 -36.015 8.198 -20.997 1.00 51.32 ATOM 1304 C GLN 81 -32.421 11.594 -20.528 1.00 43.13 ATOM 1305 O GLN 81 -33.538 12.044 -20.785 1.00 5.11 ATOM 1306 N ASP 82 -31.363 12.367 -20.308 1.00 64.41 ATOM 1307 HN ASP 82 -30.502 11.960 -20.081 1.00 37.06 ATOM 1308 CA ASP 82 -31.454 13.821 -20.357 1.00 54.24 ATOM 1309 HA ASP 82 -32.297 14.109 -19.749 1.00 40.22 ATOM 1310 CB ASP 82 -30.182 14.453 -19.791 1.00 42.33 ATOM 1311 HB1 ASP 82 -29.431 14.541 -20.566 1.00 37.06 ATOM 1312 HB2 ASP 82 -29.795 13.824 -19.001 1.00 32.15 ATOM 1313 CG ASP 82 -30.430 15.829 -19.205 1.00 51.34 ATOM 1314 OD1 ASP 82 -29.497 16.392 -18.595 1.00 43.03 ATOM 1315 OD2 ASP 82 -31.557 16.344 -19.358 1.00 34.13 ATOM 1316 C ASP 82 -31.684 14.303 -21.786 1.00 53.14 ATOM 1317 O ASP 82 -32.406 15.275 -22.017 1.00 25.32 ATOM 1318 N LEU 83 -31.066 13.619 -22.743 1.00 33.24 ATOM 1319 HN LEU 83 -30.525 12.836 -22.499 1.00 37.06 ATOM 1320 CA LEU 83 -31.202 13.977 -24.150 1.00 55.31 ATOM 1321 HA LEU 83 -30.996 15.034 -24.254 1.00 22.21 ATOM 1322 CB LEU 83 -30.192 13.199 -24.995 1.00 74.00 ATOM 1323 HB1 LEU 83 -30.173 13.647 -25.980 1.00 37.06 ATOM 1324 HB2 LEU 83 -30.540 12.176 -25.091 1.00 44.40 ATOM 1325 CG LEU 83 -28.761 13.156 -24.459 1.00 42.24 ATOM 1326 HG LEU 83 -28.741 12.599 -23.540 1.00 44.10 ATOM 1327 CD1 LEU 83 -27.843 12.448 -25.444 1.00 53.32 ATOM 1328 HD11 LEU 83 -28.233 11.467 -25.631 1.00 74.34 ATOM 1329 HD12 LEU 83 -26.850 12.368 -25.026 1.00 61.31 ATOM 1330 HD13 LEU 83 -27.803 13.001 -26.367 1.00 73.24 ATOM 1331 CD2 LEU 83 -28.256 14.563 -24.174 1.00 0.02 ATOM 1332 HD21 LEU 83 -27.209 14.546 -23.998 1.00 40.30 ATOM 1333 HD22 LEU 83 -28.758 14.958 -23.304 1.00 53.22 ATOM 1334 HD23 LEU 83 -28.461 15.196 -25.025 1.00 51.40 ATOM 1335 C LEU 83 -32.618 13.702 -24.648 1.00 1.34 ATOM 1336 O LEU 83 -33.083 14.323 -25.604 1.00 33.22 ATOM 1337 N LYS 84 -33.299 12.769 -23.991 1.00 52.33 ATOM 1338 HN LYS 84 -32.874 12.286 -23.246 1.00 37.06 ATOM 1339 CA LYS 84 -34.663 12.413 -24.363 1.00 54.45 ATOM 1340 HA LYS 84 -34.676 12.188 -25.424 1.00 62.35 ATOM 1341 CB LYS 84 -35.124 11.183 -23.579 1.00 25.14 ATOM 1342 HB1 LYS 84 -36.196 11.228 -23.418 1.00 37.06 ATOM 1343 HB2 LYS 84 -34.643 11.180 -22.618 1.00 15.03 ATOM 1344 CG LYS 84 -34.792 9.867 -24.261 1.00 50.12 ATOM 1345 HG1 LYS 84 -34.668 9.113 -23.495 1.00 37.06 ATOM 1346 HG2 LYS 84 -33.864 9.969 -24.811 1.00 13.42 ATOM 1347 CD LYS 84 -35.889 9.447 -25.224 1.00 75.43 ATOM 1348 HD1 LYS 84 -35.497 9.488 -26.230 1.00 37.06 ATOM 1349 HD2 LYS 84 -36.740 10.111 -25.147 1.00 20.50 ATOM 1350 CE LYS 84 -36.360 8.027 -24.948 1.00 23.31 ATOM 1351 HE1 LYS 84 -36.899 8.016 -24.012 1.00 37.06 ATOM 1352 HE2 LYS 84 -35.500 7.374 -24.876 1.00 54.52 ATOM 1353 NZ LYS 84 -37.253 7.518 -26.026 1.00 5.41 ATOM 1354 HZ1 LYS 84 -38.099 8.120 -26.110 1.00 15.35 ATOM 1355 HZ2 LYS 84 -37.557 6.548 -25.807 1.00 40.32 ATOM 1356 HZ3 LYS 84 -36.751 7.511 -26.939 1.00 1.50 ATOM 1357 C LYS 84 -35.617 13.577 -24.111 1.00 33.52 ATOM 1358 O LYS 84 -36.457 13.897 -24.951 1.00 63.42 ATOM 1359 N ASN 85 -35.481 14.206 -22.948 1.00 60.11 ATOM 1360 HN ASN 85 -34.787 13.910 -22.312 1.00 37.06 ATOM 1361 CA ASN 85 -36.331 15.335 -22.586 1.00 24.53 ATOM 1362 HA ASN 85 -37.322 15.168 -22.992 1.00 52.22 ATOM 1363 CB ASN 85 -36.443 15.447 -21.064 1.00 52.00 ATOM 1364 HB1 ASN 85 -36.507 14.456 -20.633 1.00 37.06 ATOM 1365 HB2 ASN 85 -37.344 15.993 -20.822 1.00 21.02 ATOM 1366 CG ASN 85 -35.267 16.181 -20.450 1.00 25.41 ATOM 1367 OD1 ASN 85 -35.166 17.404 -20.543 1.00 54.11 ATOM 1368 ND2 ASN 85 -34.369 15.434 -19.818 1.00 24.13 ATOM 1369 HD21 ASN 85 -34.499 14.460 -19.775 1.00 53.13 ATOM 1370 HD22 ASN 85 -33.601 15.890 -19.414 1.00 12.51 ATOM 1371 C ASN 85 -35.782 16.636 -23.164 1.00 35.31 ATOM 1372 O ASN 85 -36.535 17.572 -23.431 1.00 43.23 ATOM 1373 N GLN 86 -34.468 16.685 -23.354 1.00 60.11 ATOM 1374 HN GLN 86 -33.907 15.910 -23.119 1.00 37.06 ATOM 1375 CA GLN 86 -33.820 17.871 -23.900 1.00 44.14 ATOM 1376 HA GLN 86 -34.316 18.750 -23.501 1.00 45.01 ATOM 1377 CB GLN 86 -32.345 17.906 -23.493 1.00 75.44 ATOM 1378 HB1 GLN 86 -31.820 18.605 -24.137 1.00 37.06 ATOM 1379 HB2 GLN 86 -31.916 16.928 -23.628 1.00 41.04 ATOM 1380 CG GLN 86 -32.122 18.341 -22.054 1.00 43.44 ATOM 1381 HG1 GLN 86 -32.434 17.551 -21.392 1.00 37.06 ATOM 1382 HG2 GLN 86 -32.715 19.224 -21.858 1.00 53.53 ATOM 1383 CD GLN 86 -30.672 18.675 -21.765 1.00 4.45 ATOM 1384 OE1 GLN 86 -30.315 19.840 -21.582 1.00 33.24 ATOM 1385 NE2 GLN 86 -29.826 17.653 -21.721 1.00 24.21 ATOM 1386 HE21 GLN 86 -30.166 16.742 -21.874 1.00 14.14 ATOM 1387 HE22 GLN 86 -28.884 17.849 -21.535 1.00 75.23 ATOM 1388 C GLN 86 -33.941 17.906 -25.420 1.00 44.43 ATOM 1389 O GLN 86 -33.732 18.945 -26.045 1.00 53.42 ATOM 1390 N ASN 87 -34.278 16.764 -26.009 1.00 33.42 ATOM 1391 HN ASN 87 -34.419 15.951 -25.480 1.00 37.06 ATOM 1392 CA ASN 87 -34.426 16.664 -27.456 1.00 72.33 ATOM 1393 HA ASN 87 -34.577 15.623 -27.694 1.00 63.32 ATOM 1394 CB ASN 87 -35.617 17.501 -27.927 1.00 73.41 ATOM 1395 HB1 ASN 87 -35.299 18.297 -28.586 1.00 37.06 ATOM 1396 HB2 ASN 87 -36.108 17.944 -27.071 1.00 70.15 ATOM 1397 CG ASN 87 -36.653 16.671 -28.661 1.00 31.33 ATOM 1398 OD1 ASN 87 -37.124 17.051 -29.733 1.00 5.11 ATOM 1399 ND2 ASN 87 -37.013 15.530 -28.084 1.00 55.02 ATOM 1400 HD21 ASN 87 -36.619 15.270 -27.223 1.00 21.13 ATOM 1401 HD22 ASN 87 -37.674 14.979 -28.552 1.00 61.42 ATOM 1402 C ASN 87 -33.156 17.123 -28.166 1.00 22.43 ATOM 1403 O ASN 87 -33.201 17.590 -29.304 1.00 11.53 ATOM 1404 N LYS 88 -32.022 16.985 -27.486 1.00 75.20 ATOM 1405 HN LYS 88 -32.029 16.553 -26.603 1.00 37.06 ATOM 1406 CA LYS 88 -30.738 17.383 -28.050 1.00 72.31 ATOM 1407 HA LYS 88 -30.737 18.459 -28.150 1.00 70.52 ATOM 1408 CB LYS 88 -29.598 16.968 -27.118 1.00 22.04 ATOM 1409 HB1 LYS 88 -28.664 17.227 -27.594 1.00 37.06 ATOM 1410 HB2 LYS 88 -29.635 15.897 -26.974 1.00 41.24 ATOM 1411 CG LYS 88 -29.655 17.634 -25.754 1.00 5.32 ATOM 1412 HG1 LYS 88 -30.165 16.970 -25.071 1.00 37.06 ATOM 1413 HG2 LYS 88 -30.211 18.562 -25.829 1.00 45.23 ATOM 1414 CD LYS 88 -28.263 17.914 -25.212 1.00 1.23 ATOM 1415 HD1 LYS 88 -27.517 17.808 -25.989 1.00 37.06 ATOM 1416 HD2 LYS 88 -28.053 17.217 -24.422 1.00 52.50 ATOM 1417 CE LYS 88 -28.162 19.317 -24.633 1.00 40.20 ATOM 1418 HE1 LYS 88 -27.318 19.348 -23.959 1.00 37.06 ATOM 1419 HE2 LYS 88 -29.064 19.551 -24.082 1.00 72.31 ATOM 1420 NZ LYS 88 -27.961 20.342 -25.695 1.00 21.13 ATOM 1421 HZ1 LYS 88 -28.760 20.332 -26.363 1.00 13.43 ATOM 1422 HZ2 LYS 88 -27.082 20.153 -26.219 1.00 24.34 ATOM 1423 HZ3 LYS 88 -27.896 21.288 -25.267 1.00 4.44 ATOM 1424 C LYS 88 -30.533 16.762 -29.428 1.00 74.32 ATOM 1425 O LYS 88 -29.986 17.397 -30.329 1.00 71.41 ATOM 1426 N GLN 89 -30.978 15.519 -29.584 1.00 64.21 ATOM 1427 HN GLN 89 -31.396 15.044 -28.832 1.00 37.06 ATOM 1428 CA GLN 89 -30.843 14.814 -30.853 1.00 70.43 ATOM 1429 HA GLN 89 -31.099 13.782 -30.671 1.00 12.04 ATOM 1430 CB GLN 89 -31.788 15.412 -31.896 1.00 52.33 ATOM 1431 HB1 GLN 89 -31.319 16.251 -32.393 1.00 37.06 ATOM 1432 HB2 GLN 89 -32.675 15.775 -31.391 1.00 52.52 ATOM 1433 CG GLN 89 -32.235 14.417 -32.955 1.00 35.04 ATOM 1434 HG1 GLN 89 -31.359 13.993 -33.426 1.00 37.06 ATOM 1435 HG2 GLN 89 -32.819 14.941 -33.698 1.00 12.10 ATOM 1436 CD GLN 89 -33.070 13.289 -32.380 1.00 10.52 ATOM 1437 OE1 GLN 89 -32.543 12.246 -31.993 1.00 4.22 ATOM 1438 NE2 GLN 89 -34.381 13.493 -32.321 1.00 2.53 ATOM 1439 HE21 GLN 89 -34.748 14.347 -32.645 1.00 21.24 ATOM 1440 HE22 GLN 89 -34.938 12.776 -31.952 1.00 11.35 ATOM 1441 C GLN 89 -29.405 14.873 -31.359 1.00 74.31 ATOM 1442 O GLN 89 -29.137 15.414 -32.432 1.00 63.00 ATOM 1443 N ILE 90 -28.486 14.313 -30.580 1.00 1.40 ATOM 1444 HN ILE 90 -28.763 13.878 -29.743 1.00 37.06 ATOM 1445 CA ILE 90 -27.076 14.302 -30.950 1.00 11.30 ATOM 1446 HA ILE 90 -26.912 15.014 -31.754 1.00 42.35 ATOM 1447 CB ILE 90 -26.181 14.723 -29.770 1.00 1.15 ATOM 1448 HB ILE 90 -25.161 14.789 -30.121 1.00 21.33 ATOM 1449 CG1 ILE 90 -26.259 13.686 -28.647 1.00 12.51 ATOM 1450 HG11 ILE 90 -25.969 12.717 -29.014 1.00 37.06 ATOM 1451 HG12 ILE 90 -27.268 13.634 -28.279 1.00 72.42 ATOM 1452 CG2 ILE 90 -26.589 16.097 -29.259 1.00 21.12 ATOM 1453 HG21 ILE 90 -25.914 16.418 -28.479 1.00 23.24 ATOM 1454 HG22 ILE 90 -27.592 16.051 -28.871 1.00 53.42 ATOM 1455 HG23 ILE 90 -26.554 16.810 -30.072 1.00 73.22 ATOM 1456 CD1 ILE 90 -25.360 14.000 -27.472 1.00 21.45 ATOM 1457 HD11 ILE 90 -25.753 14.850 -26.934 1.00 11.54 ATOM 1458 HD12 ILE 90 -24.364 14.227 -27.826 1.00 21.03 ATOM 1459 HD13 ILE 90 -25.320 13.146 -26.813 1.00 22.34 ATOM 1460 C ILE 90 -26.645 12.922 -31.433 1.00 74.50 ATOM 1461 O ILE 90 -27.207 11.906 -31.023 1.00 32.11 ATOM 1462 N SER 91 -25.643 12.892 -32.306 1.00 34.11 ATOM 1463 HN SER 91 -25.218 13.738 -32.586 1.00 37.06 ATOM 1464 CA SER 91 -25.138 11.636 -32.847 1.00 23.32 ATOM 1465 HA SER 91 -25.942 10.909 -32.857 1.00 13.42 ATOM 1466 CB SER 91 -24.652 11.834 -34.284 1.00 73.51 ATOM 1467 HB1 SER 91 -24.008 11.014 -34.580 1.00 37.06 ATOM 1468 HB2 SER 91 -24.103 12.761 -34.357 1.00 70.23 ATOM 1469 OG SER 91 -25.742 11.877 -35.189 1.00 11.30 ATOM 1470 HG SER 91 -26.139 12.752 -35.176 1.00 21.23 ATOM 1471 C SER 91 -24.003 11.091 -31.985 1.00 63.12 ATOM 1472 O SER 91 -22.944 10.723 -32.494 1.00 74.30 ATOM 1473 N MET 92 -24.232 11.043 -30.677 1.00 1.21 ATOM 1474 HN MET 92 -25.097 11.305 -30.318 1.00 37.06 ATOM 1475 CA MET 92 -23.229 10.542 -29.744 1.00 14.54 ATOM 1476 HA MET 92 -23.648 10.611 -28.750 1.00 55.35 ATOM 1477 CB MET 92 -22.897 9.082 -30.054 1.00 71.21 ATOM 1478 HB1 MET 92 -22.227 9.044 -30.899 1.00 37.06 ATOM 1479 HB2 MET 92 -23.814 8.571 -30.320 1.00 4.32 ATOM 1480 CG MET 92 -22.280 8.337 -28.882 1.00 21.52 ATOM 1481 HG1 MET 92 -23.065 8.089 -28.184 1.00 37.06 ATOM 1482 HG2 MET 92 -21.554 8.964 -28.390 1.00 51.23 ATOM 1483 SD MET 92 -21.461 6.810 -29.383 1.00 0.24 ATOM 1484 CE MET 92 -20.145 7.454 -30.413 1.00 0.32 ATOM 1485 HE1 MET 92 -19.192 7.173 -29.991 1.00 60.21 ATOM 1486 HE2 MET 92 -20.204 8.530 -30.474 1.00 51.14 ATOM 1487 HE3 MET 92 -20.231 7.035 -31.404 1.00 60.13 ATOM 1488 C MET 92 -21.961 11.388 -29.802 1.00 53.25 ATOM 1489 O MET 92 -20.889 10.944 -29.394 1.00 3.51 ATOM 1490 N ALA 93 -22.092 12.608 -30.314 1.00 11.04 ATOM 1491 HN ALA 93 -22.979 12.951 -30.556 1.00 37.06 ATOM 1492 CA ALA 93 -20.957 13.516 -30.424 1.00 60.30 ATOM 1493 HA ALA 93 -20.110 12.963 -30.813 1.00 43.22 ATOM 1494 CB ALA 93 -21.270 14.635 -31.406 1.00 63.12 ATOM 1495 HB1 ALA 93 -21.533 14.208 -32.362 1.00 21.32 ATOM 1496 HB2 ALA 93 -20.402 15.269 -31.525 1.00 51.22 ATOM 1497 HB3 ALA 93 -22.099 15.223 -31.036 1.00 11.40 ATOM 1498 C ALA 93 -20.581 14.093 -29.063 1.00 73.15 ATOM 1499 O ALA 93 -19.448 13.943 -28.607 1.00 74.33 ATOM 1500 N GLU 94 -21.539 14.754 -28.421 1.00 73.02 ATOM 1501 HN GLU 94 -22.439 14.788 -28.819 1.00 37.06 ATOM 1502 CA GLU 94 -21.307 15.355 -27.113 1.00 63.21 ATOM 1503 HA GLU 94 -20.390 15.930 -27.159 1.00 42.44 ATOM 1504 CB GLU 94 -22.456 16.297 -26.748 1.00 43.35 ATOM 1505 HB1 GLU 94 -22.160 16.888 -25.893 1.00 37.06 ATOM 1506 HB2 GLU 94 -23.329 15.710 -26.486 1.00 13.24 ATOM 1507 CG GLU 94 -22.847 17.243 -27.872 1.00 34.52 ATOM 1508 HG1 GLU 94 -23.177 16.671 -28.723 1.00 37.06 ATOM 1509 HG2 GLU 94 -21.985 17.831 -28.149 1.00 11.55 ATOM 1510 CD GLU 94 -23.966 18.187 -27.476 1.00 70.33 ATOM 1511 OE1 GLU 94 -24.370 18.167 -26.295 1.00 74.31 ATOM 1512 OE2 GLU 94 -24.437 18.946 -28.349 1.00 2.10 ATOM 1513 C GLU 94 -21.156 14.280 -26.040 1.00 4.51 ATOM 1514 O GLU 94 -20.270 14.358 -25.189 1.00 42.32 ATOM 1515 N ALA 95 -22.028 13.279 -26.087 1.00 64.30 ATOM 1516 HN ALA 95 -22.724 13.274 -26.784 1.00 37.06 ATOM 1517 CA ALA 95 -21.991 12.188 -25.121 1.00 21.12 ATOM 1518 HA ALA 95 -22.214 12.597 -24.145 1.00 75.11 ATOM 1519 CB ALA 95 -23.056 11.153 -25.452 1.00 42.15 ATOM 1520 HB1 ALA 95 -23.059 10.379 -24.697 1.00 0.32 ATOM 1521 HB2 ALA 95 -22.850 10.714 -26.418 1.00 15.01 ATOM 1522 HB3 ALA 95 -24.024 11.632 -25.476 1.00 61.01 ATOM 1523 C ALA 95 -20.613 11.537 -25.080 1.00 25.02 ATOM 1524 O ALA 95 -20.190 11.024 -24.044 1.00 61.43 ATOM 1525 N GLN 96 -19.918 11.562 -26.212 1.00 64.35 ATOM 1526 HN GLN 96 -20.317 11.952 -27.022 1.00 37.06 ATOM 1527 CA GLN 96 -18.587 10.972 -26.305 1.00 12.01 ATOM 1528 HA GLN 96 -18.629 9.991 -25.849 1.00 32.40 ATOM 1529 CB GLN 96 -18.165 10.840 -27.769 1.00 54.03 ATOM 1530 HB1 GLN 96 -17.113 11.086 -27.872 1.00 37.06 ATOM 1531 HB2 GLN 96 -18.730 11.541 -28.368 1.00 60.55 ATOM 1532 CG GLN 96 -18.389 9.450 -28.344 1.00 4.42 ATOM 1533 HG1 GLN 96 -18.654 9.556 -29.384 1.00 37.06 ATOM 1534 HG2 GLN 96 -19.198 8.959 -27.819 1.00 54.34 ATOM 1535 CD GLN 96 -17.153 8.577 -28.256 1.00 45.20 ATOM 1536 OE1 GLN 96 -16.739 7.966 -29.242 1.00 4.23 ATOM 1537 NE2 GLN 96 -16.555 8.514 -27.072 1.00 31.32 ATOM 1538 HE21 GLN 96 -16.912 9.005 -26.313 1.00 1.53 ATOM 1539 HE22 GLN 96 -15.751 7.957 -27.008 1.00 41.23 ATOM 1540 C GLN 96 -17.566 11.810 -25.543 1.00 11.31 ATOM 1541 O GLN 96 -16.846 11.301 -24.685 1.00 42.14 ATOM 1542 N GLY 97 -17.509 13.100 -25.863 1.00 33.25 ATOM 1543 HN GLY 97 -18.105 13.463 -26.557 1.00 37.06 ATOM 1544 CA GLY 97 -16.573 13.988 -25.199 1.00 62.12 ATOM 1545 HA1 GLY 97 -16.573 14.937 -25.715 1.00 37.06 ATOM 1546 HA2 GLY 97 -15.577 13.566 -25.251 1.00 52.21 ATOM 1547 C GLY 97 -16.931 14.227 -23.746 1.00 1.51 ATOM 1548 O GLY 97 -16.075 14.594 -22.940 1.00 35.13 ATOM 1549 N LYS 98 -18.200 14.022 -23.409 1.00 63.12 ATOM 1550 HN LYS 98 -18.852 13.747 -24.093 1.00 37.06 ATOM 1551 CA LYS 98 -18.671 14.218 -22.043 1.00 62.14 ATOM 1552 HA LYS 98 -18.306 15.179 -21.698 1.00 41.32 ATOM 1553 CB LYS 98 -20.201 14.219 -22.005 1.00 23.11 ATOM 1554 HB1 LYS 98 -20.574 13.201 -21.994 1.00 37.06 ATOM 1555 HB2 LYS 98 -20.564 14.705 -22.897 1.00 54.24 ATOM 1556 CG LYS 98 -20.779 14.979 -20.824 1.00 1.30 ATOM 1557 HG1 LYS 98 -21.722 15.400 -21.123 1.00 37.06 ATOM 1558 HG2 LYS 98 -20.105 15.785 -20.553 1.00 15.20 ATOM 1559 CD LYS 98 -20.997 14.069 -19.627 1.00 63.31 ATOM 1560 HD1 LYS 98 -20.252 13.289 -19.609 1.00 37.06 ATOM 1561 HD2 LYS 98 -21.964 13.618 -19.704 1.00 2.52 ATOM 1562 CE LYS 98 -20.917 14.840 -18.318 1.00 73.25 ATOM 1563 HE1 LYS 98 -21.528 14.332 -17.587 1.00 37.06 ATOM 1564 HE2 LYS 98 -21.296 15.845 -18.458 1.00 30.02 ATOM 1565 NZ LYS 98 -19.522 14.914 -17.802 1.00 55.22 ATOM 1566 HZ1 LYS 98 -19.149 13.957 -17.628 1.00 15.44 ATOM 1567 HZ2 LYS 98 -19.502 15.445 -16.908 1.00 34.43 ATOM 1568 HZ3 LYS 98 -18.907 15.397 -18.490 1.00 14.33 ATOM 1569 C LYS 98 -18.129 13.131 -21.120 1.00 13.31 ATOM 1570 O LYS 98 -17.776 13.398 -19.971 1.00 52.30 ATOM 1571 N PHE 99 -18.065 11.906 -21.630 1.00 31.34 ATOM 1572 HN PHE 99 -18.366 11.737 -22.552 1.00 37.06 ATOM 1573 CA PHE 99 -17.566 10.779 -20.850 1.00 62.24 ATOM 1574 HA PHE 99 -17.356 11.102 -19.838 1.00 62.24 ATOM 1575 CB PHE 99 -18.622 9.674 -20.778 1.00 64.42 ATOM 1576 HB1 PHE 99 -18.159 8.754 -20.447 1.00 37.06 ATOM 1577 HB2 PHE 99 -19.034 9.524 -21.764 1.00 4.14 ATOM 1578 CG PHE 99 -19.749 9.982 -19.835 1.00 3.04 ATOM 1579 CD1 PHE 99 -21.008 10.299 -20.318 1.00 62.53 ATOM 1580 HD1 PHE 99 -21.180 10.323 -21.386 1.00 70.12 ATOM 1581 CD2 PHE 99 -19.549 9.956 -18.464 1.00 22.13 ATOM 1582 HD2 PHE 99 -18.572 9.710 -18.071 1.00 33.10 ATOM 1583 CE1 PHE 99 -22.047 10.582 -19.453 1.00 14.53 ATOM 1584 HE1 PHE 99 -23.022 10.827 -19.843 1.00 43.34 ATOM 1585 CE2 PHE 99 -20.585 10.238 -17.593 1.00 45.54 ATOM 1586 HE2 PHE 99 -20.405 10.223 -16.533 1.00 42.40 ATOM 1587 CZ PHE 99 -21.835 10.553 -18.088 1.00 40.44 ATOM 1588 HZ PHE 99 -22.643 10.786 -17.420 1.00 42.24 ATOM 1589 C PHE 99 -16.277 10.228 -21.455 1.00 13.25 ATOM 1590 O PHE 99 -16.257 9.163 -22.071 1.00 63.40 ATOM 1591 N PRO 100 -15.175 10.971 -21.275 1.00 14.43 ATOM 1592 CA PRO 100 -13.862 10.578 -21.794 1.00 51.41 ATOM 1593 HA PRO 100 -13.900 10.369 -22.854 1.00 54.34 ATOM 1594 CB PRO 100 -12.997 11.817 -21.546 1.00 55.01 ATOM 1595 HB1 PRO 100 -13.001 12.437 -22.430 1.00 37.06 ATOM 1596 HB2 PRO 100 -11.978 11.536 -21.308 1.00 53.35 ATOM 1597 CG PRO 100 -13.653 12.514 -20.404 1.00 40.12 ATOM 1598 HG1 PRO 100 -13.454 13.574 -20.457 1.00 37.06 ATOM 1599 HG2 PRO 100 -13.291 12.110 -19.470 1.00 20.41 ATOM 1600 CD PRO 100 -15.127 12.252 -20.550 1.00 45.41 ATOM 1601 HD1 PRO 100 -15.574 13.038 -21.126 1.00 37.06 ATOM 1602 HD2 PRO 100 -15.588 12.176 -19.578 1.00 31.53 ATOM 1603 C PRO 100 -13.286 9.371 -21.061 1.00 54.53 ATOM 1604 O PRO 100 -12.277 8.805 -21.478 1.00 42.02 ATOM 1605 N GLU 101 -13.936 8.984 -19.968 1.00 23.40 ATOM 1606 HN GLU 101 -14.712 9.481 -19.644 1.00 37.06 ATOM 1607 CA GLU 101 -13.486 7.843 -19.178 1.00 15.42 ATOM 1608 HA GLU 101 -12.449 7.634 -19.411 1.00 50.42 ATOM 1609 CB GLU 101 -13.585 8.159 -17.684 1.00 12.31 ATOM 1610 HB1 GLU 101 -13.160 7.334 -17.127 1.00 37.06 ATOM 1611 HB2 GLU 101 -14.627 8.267 -17.413 1.00 21.30 ATOM 1612 CG GLU 101 -12.861 9.433 -17.282 1.00 25.10 ATOM 1613 HG1 GLU 101 -13.368 10.276 -17.728 1.00 37.06 ATOM 1614 HG2 GLU 101 -11.845 9.390 -17.648 1.00 64.32 ATOM 1615 CD GLU 101 -12.821 9.632 -15.779 1.00 43.12 ATOM 1616 OE1 GLU 101 -11.974 10.420 -15.308 1.00 53.52 ATOM 1617 OE2 GLU 101 -13.635 9.000 -15.075 1.00 21.14 ATOM 1618 C GLU 101 -14.309 6.599 -19.501 1.00 51.41 ATOM 1619 O GLU 101 -14.078 5.526 -18.944 1.00 1.32 ATOM 1620 N VAL 102 -15.271 6.752 -20.406 1.00 32.15 ATOM 1621 HN VAL 102 -15.430 7.623 -20.825 1.00 37.06 ATOM 1622 CA VAL 102 -16.129 5.642 -20.804 1.00 45.13 ATOM 1623 HA VAL 102 -15.819 4.748 -20.269 1.00 10.51 ATOM 1624 CB VAL 102 -17.602 5.914 -20.446 1.00 63.10 ATOM 1625 HB VAL 102 -17.953 6.748 -21.035 1.00 35.30 ATOM 1626 CG1 VAL 102 -18.464 4.707 -20.781 1.00 33.43 ATOM 1627 HG11 VAL 102 -18.033 3.815 -20.347 1.00 11.43 ATOM 1628 HG12 VAL 102 -18.530 4.590 -21.852 1.00 13.53 ATOM 1629 HG13 VAL 102 -19.458 4.849 -20.383 1.00 54.52 ATOM 1630 CG2 VAL 102 -17.733 6.282 -18.976 1.00 3.21 ATOM 1631 HG21 VAL 102 -18.774 6.445 -18.733 1.00 34.30 ATOM 1632 HG22 VAL 102 -17.179 7.187 -18.776 1.00 33.02 ATOM 1633 HG23 VAL 102 -17.345 5.481 -18.363 1.00 70.42 ATOM 1634 C VAL 102 -16.022 5.376 -22.302 1.00 21.24 ATOM 1635 O VAL 102 -16.100 6.297 -23.114 1.00 45.32 ATOM 1636 N VAL 103 -15.844 4.108 -22.661 1.00 2.35 ATOM 1637 HN VAL 103 -15.812 3.409 -21.966 1.00 37.06 ATOM 1638 CA VAL 103 -15.728 3.719 -24.061 1.00 10.31 ATOM 1639 HA VAL 103 -15.022 4.392 -24.541 1.00 64.13 ATOM 1640 CB VAL 103 -15.191 2.283 -24.202 1.00 32.52 ATOM 1641 HB VAL 103 -15.896 1.611 -23.754 1.00 23.25 ATOM 1642 CG1 VAL 103 -15.045 1.908 -25.669 1.00 0.41 ATOM 1643 HG11 VAL 103 -14.480 2.670 -26.190 1.00 44.00 ATOM 1644 HG12 VAL 103 -16.019 1.808 -26.122 1.00 25.13 ATOM 1645 HG13 VAL 103 -14.525 0.962 -25.753 1.00 3.01 ATOM 1646 CG2 VAL 103 -13.865 2.136 -23.471 1.00 32.41 ATOM 1647 HG21 VAL 103 -14.001 2.337 -22.419 1.00 25.15 ATOM 1648 HG22 VAL 103 -13.145 2.832 -23.879 1.00 13.12 ATOM 1649 HG23 VAL 103 -13.494 1.127 -23.593 1.00 35.35 ATOM 1650 C VAL 103 -17.073 3.820 -24.772 1.00 63.22 ATOM 1651 O VAL 103 -18.122 3.571 -24.178 1.00 2.14 ATOM 1652 N PHE 104 -17.035 4.185 -26.049 1.00 45.52 ATOM 1653 HN PHE 104 -16.167 4.383 -26.474 1.00 37.06 ATOM 1654 CA PHE 104 -18.251 4.320 -26.843 1.00 24.53 ATOM 1655 HA PHE 104 -19.055 3.802 -26.341 1.00 61.21 ATOM 1656 CB PHE 104 -18.626 5.795 -26.994 1.00 50.12 ATOM 1657 HB1 PHE 104 -19.285 5.917 -27.835 1.00 37.06 ATOM 1658 HB2 PHE 104 -17.728 6.344 -27.179 1.00 45.23 ATOM 1659 CG PHE 104 -19.295 6.371 -25.779 1.00 50.22 ATOM 1660 CD1 PHE 104 -18.544 6.931 -24.758 1.00 63.32 ATOM 1661 HD1 PHE 104 -17.471 6.959 -24.846 1.00 0.24 ATOM 1662 CD2 PHE 104 -20.675 6.354 -25.658 1.00 72.02 ATOM 1663 HD2 PHE 104 -21.275 5.920 -26.446 1.00 32.02 ATOM 1664 CE1 PHE 104 -19.157 7.461 -23.639 1.00 21.33 ATOM 1665 HE1 PHE 104 -18.558 7.884 -22.855 1.00 52.41 ATOM 1666 CE2 PHE 104 -21.294 6.883 -24.541 1.00 60.01 ATOM 1667 HE2 PHE 104 -22.371 6.864 -24.459 1.00 43.51 ATOM 1668 CZ PHE 104 -20.534 7.438 -23.531 1.00 3.04 ATOM 1669 HZ PHE 104 -21.015 7.852 -22.657 1.00 0.21 ATOM 1670 C PHE 104 -18.075 3.684 -28.219 1.00 21.12 ATOM 1671 O PHE 104 -16.954 3.517 -28.699 1.00 2.22 ATOM 1672 N SER 105 -19.191 3.331 -28.848 1.00 34.53 ATOM 1673 HN SER 105 -20.063 3.480 -28.412 1.00 37.06 ATOM 1674 CA SER 105 -19.162 2.709 -30.166 1.00 42.15 ATOM 1675 HA SER 105 -18.194 2.893 -30.620 1.00 31.14 ATOM 1676 CB SER 105 -19.357 1.196 -30.045 1.00 44.43 ATOM 1677 HB1 SER 105 -18.921 0.710 -30.905 1.00 37.06 ATOM 1678 HB2 SER 105 -20.413 0.958 -29.993 1.00 2.41 ATOM 1679 OG SER 105 -18.733 0.694 -28.876 1.00 15.12 ATOM 1680 HG SER 105 -18.980 -0.225 -28.751 1.00 74.33 ATOM 1681 C SER 105 -20.239 3.301 -31.070 1.00 50.12 ATOM 1682 O SER 105 -21.389 3.459 -30.663 1.00 71.20 ATOM 1683 N GLY 106 -19.856 3.627 -32.301 1.00 54.52 ATOM 1684 HN GLY 106 -18.924 3.484 -32.583 1.00 37.06 ATOM 1685 CA GLY 106 -20.800 4.199 -33.244 1.00 60.33 ATOM 1686 HA1 GLY 106 -20.490 5.212 -33.460 1.00 37.06 ATOM 1687 HA2 GLY 106 -21.797 4.229 -32.820 1.00 41.22 ATOM 1688 C GLY 106 -20.860 3.424 -34.546 1.00 33.55 ATOM 1689 O GLY 106 -20.625 2.215 -34.568 1.00 1.52 ATOM 1690 N SER 107 -21.178 4.119 -35.633 1.00 33.03 ATOM 1691 HN SER 107 -21.359 5.087 -35.551 1.00 37.06 ATOM 1692 CA SER 107 -21.275 3.487 -36.943 1.00 44.13 ATOM 1693 HA SER 107 -20.361 2.928 -37.112 1.00 51.21 ATOM 1694 CB SER 107 -22.455 2.515 -36.979 1.00 32.33 ATOM 1695 HB1 SER 107 -23.254 2.889 -36.353 1.00 37.06 ATOM 1696 HB2 SER 107 -22.135 1.551 -36.613 1.00 4.05 ATOM 1697 OG SER 107 -22.950 2.361 -38.298 1.00 30.04 ATOM 1698 HG SER 107 -22.394 1.745 -38.782 1.00 22.25 ATOM 1699 C SER 107 -21.431 4.535 -38.041 1.00 70.34 ATOM 1700 O SER 107 -22.342 5.360 -38.001 1.00 53.24 ATOM 1701 N ASN 108 -20.534 4.494 -39.021 1.00 72.15 ATOM 1702 HN ASN 108 -19.831 3.802 -39.012 1.00 37.06 ATOM 1703 CA ASN 108 -20.571 5.440 -40.131 1.00 71.41 ATOM 1704 HA ASN 108 -21.224 6.261 -39.860 1.00 33.41 ATOM 1705 CB ASN 108 -19.169 5.985 -40.410 1.00 52.32 ATOM 1706 HB1 ASN 108 -18.624 5.320 -41.066 1.00 37.06 ATOM 1707 HB2 ASN 108 -18.631 6.065 -39.475 1.00 11.53 ATOM 1708 CG ASN 108 -19.200 7.365 -41.040 1.00 34.43 ATOM 1709 OD1 ASN 108 -20.211 8.065 -40.976 1.00 43.34 ATOM 1710 ND2 ASN 108 -18.090 7.761 -41.652 1.00 35.32 ATOM 1711 HD21 ASN 108 -17.312 7.158 -41.671 1.00 32.41 ATOM 1712 HD22 ASN 108 -18.090 8.650 -42.065 1.00 1.43 ATOM 1713 C ASN 108 -21.133 4.782 -41.388 1.00 24.10 ATOM 1714 O ASN 108 -22.165 5.201 -41.913 1.00 31.21 ATOM 1715 N LEU 109 -20.447 3.749 -41.865 1.00 45.44 ATOM 1716 HN LEU 109 -19.629 3.449 -41.405 1.00 37.06 ATOM 1717 CA LEU 109 -20.876 3.032 -43.061 1.00 15.13 ATOM 1718 HA LEU 109 -21.875 3.353 -43.334 1.00 14.24 ATOM 1719 CB LEU 109 -19.930 3.329 -44.225 1.00 72.44 ATOM 1720 HB1 LEU 109 -20.047 2.556 -44.974 1.00 37.06 ATOM 1721 HB2 LEU 109 -18.913 3.273 -43.857 1.00 20.43 ATOM 1722 CG LEU 109 -20.124 4.677 -44.921 1.00 24.32 ATOM 1723 HG LEU 109 -21.181 4.862 -45.055 1.00 55.41 ATOM 1724 CD1 LEU 109 -19.557 5.802 -44.070 1.00 1.43 ATOM 1725 HD11 LEU 109 -20.326 6.177 -43.420 1.00 5.43 ATOM 1726 HD12 LEU 109 -19.217 6.614 -44.702 1.00 25.11 ATOM 1727 HD13 LEU 109 -18.725 5.448 -43.475 1.00 42.52 ATOM 1728 CD2 LEU 109 -19.472 4.666 -46.296 1.00 73.41 ATOM 1729 HD21 LEU 109 -18.409 4.495 -46.195 1.00 0.03 ATOM 1730 HD22 LEU 109 -19.638 5.617 -46.784 1.00 45.41 ATOM 1731 HD23 LEU 109 -19.906 3.879 -46.897 1.00 34.02 ATOM 1732 C LEU 109 -20.930 1.529 -42.804 1.00 52.42 ATOM 1733 O LEU 109 -20.623 1.067 -41.706 1.00 63.33 ATOM 1734 N GLU 110 -21.321 0.773 -43.826 1.00 1.45 ATOM 1735 HN GLU 110 -21.585 1.201 -44.675 1.00 37.06 ATOM 1736 CA GLU 110 -21.413 -0.677 -43.710 1.00 30.21 ATOM 1737 HA GLU 110 -22.178 -0.899 -42.974 1.00 42.05 ATOM 1738 CB GLU 110 -21.812 -1.294 -45.052 1.00 55.32 ATOM 1739 HB1 GLU 110 -21.520 -2.339 -45.064 1.00 37.06 ATOM 1740 HB2 GLU 110 -21.278 -0.784 -45.843 1.00 74.35 ATOM 1741 CG GLU 110 -23.305 -1.235 -45.329 1.00 34.34 ATOM 1742 HG1 GLU 110 -23.821 -0.801 -44.481 1.00 37.06 ATOM 1743 HG2 GLU 110 -23.666 -2.242 -45.482 1.00 14.43 ATOM 1744 CD GLU 110 -23.639 -0.417 -46.561 1.00 0.44 ATOM 1745 OE1 GLU 110 -23.634 0.828 -46.466 1.00 2.44 ATOM 1746 OE2 GLU 110 -23.905 -1.022 -47.620 1.00 51.12 ATOM 1747 C GLU 110 -20.088 -1.271 -43.239 1.00 53.33 ATOM 1748 O GLU 110 -19.017 -0.853 -43.679 1.00 43.40 ATOM 1749 N HIS 111 -20.170 -2.248 -42.342 1.00 0.23 ATOM 1750 HN HIS 111 -21.058 -2.534 -42.017 1.00 37.06 ATOM 1751 CA HIS 111 -18.978 -2.900 -41.811 1.00 11.44 ATOM 1752 HA HIS 111 -18.277 -3.051 -42.623 1.00 31.32 ATOM 1753 CB HIS 111 -18.320 -2.019 -40.748 1.00 33.02 ATOM 1754 HB1 HIS 111 -17.919 -1.141 -41.233 1.00 37.06 ATOM 1755 HB2 HIS 111 -17.512 -2.544 -40.264 1.00 74.12 ATOM 1756 CG HIS 111 -19.269 -1.549 -39.688 1.00 41.15 ATOM 1757 ND1 HIS 111 -19.019 -0.456 -38.886 1.00 12.21 ATOM 1758 HD1 HIS 111 -18.220 0.110 -38.922 1.00 60.55 ATOM 1759 CD2 HIS 111 -20.474 -2.029 -39.303 1.00 73.20 ATOM 1760 HD2 HIS 111 -20.998 -2.872 -39.722 1.00 22.51 ATOM 1761 CE1 HIS 111 -20.029 -0.285 -38.051 1.00 60.14 ATOM 1762 HE1 HIS 111 -20.108 0.493 -37.306 1.00 21.20 ATOM 1763 NE2 HIS 111 -20.926 -1.227 -38.284 1.00 44.43 ATOM 1764 HE2 HIS 111 -21.815 -1.274 -37.874 1.00 37.06 ATOM 1765 C HIS 111 -19.323 -4.262 -41.217 1.00 61.20 ATOM 1766 O HIS 111 -20.469 -4.709 -41.285 1.00 45.35 ATOM 1767 N HIS 112 -18.324 -4.919 -40.635 1.00 52.22 ATOM 1768 HN HIS 112 -17.414 -4.545 -40.645 1.00 37.06 ATOM 1769 CA HIS 112 -18.522 -6.231 -40.030 1.00 10.02 ATOM 1770 HA HIS 112 -19.584 -6.402 -39.886 1.00 62.43 ATOM 1771 CB HIS 112 -17.960 -7.325 -40.938 1.00 74.12 ATOM 1772 HB1 HIS 112 -17.811 -8.234 -40.367 1.00 37.06 ATOM 1773 HB2 HIS 112 -17.010 -7.003 -41.338 1.00 35.54 ATOM 1774 CG HIS 112 -18.852 -7.661 -42.093 1.00 55.25 ATOM 1775 ND1 HIS 112 -19.531 -8.857 -42.197 1.00 54.55 ATOM 1776 HD1 HIS 112 -19.502 -9.590 -41.548 1.00 3.35 ATOM 1777 CD2 HIS 112 -19.177 -6.948 -43.198 1.00 23.42 ATOM 1778 HD2 HIS 112 -18.826 -5.957 -43.447 1.00 70.34 ATOM 1779 CE1 HIS 112 -20.233 -8.866 -43.317 1.00 12.24 ATOM 1780 HE1 HIS 112 -20.862 -9.673 -43.662 1.00 10.30 ATOM 1781 NE2 HIS 112 -20.036 -7.719 -43.942 1.00 22.21 ATOM 1782 HE2 HIS 112 -20.510 -7.427 -44.748 1.00 37.06 ATOM 1783 C HIS 112 -17.858 -6.302 -38.658 1.00 13.12 ATOM 1784 O HIS 112 -17.042 -5.449 -38.307 1.00 63.50 ATOM 1785 N HIS 113 -18.215 -7.323 -37.885 1.00 63.33 ATOM 1786 HN HIS 113 -18.865 -7.985 -38.222 1.00 37.06 ATOM 1787 CA HIS 113 -17.654 -7.505 -36.551 1.00 64.23 ATOM 1788 HA HIS 113 -17.224 -6.565 -36.219 1.00 31.35 ATOM 1789 CB HIS 113 -18.749 -7.913 -35.566 1.00 22.24 ATOM 1790 HB1 HIS 113 -19.047 -8.936 -35.756 1.00 37.06 ATOM 1791 HB2 HIS 113 -19.605 -7.268 -35.709 1.00 43.12 ATOM 1792 CG HIS 113 -18.332 -7.811 -34.131 1.00 3.12 ATOM 1793 ND1 HIS 113 -17.410 -8.658 -33.553 1.00 1.13 ATOM 1794 HD1 HIS 113 -16.952 -9.399 -34.000 1.00 64.44 ATOM 1795 CD2 HIS 113 -18.715 -6.953 -33.156 1.00 70.14 ATOM 1796 HD2 HIS 113 -19.430 -6.148 -33.255 1.00 43.35 ATOM 1797 CE1 HIS 113 -17.246 -8.327 -32.284 1.00 45.35 ATOM 1798 HE1 HIS 113 -16.585 -8.816 -31.584 1.00 14.53 ATOM 1799 NE2 HIS 113 -18.026 -7.295 -32.019 1.00 1.31 ATOM 1800 HE2 HIS 113 -18.165 -6.905 -31.131 1.00 37.06 ATOM 1801 C HIS 113 -16.548 -8.557 -36.566 1.00 11.33 ATOM 1802 O HIS 113 -15.456 -8.331 -36.044 1.00 23.11 ATOM 1803 N HIS 114 -16.839 -9.707 -37.166 1.00 14.43 ATOM 1804 HN HIS 114 -17.732 -9.830 -37.568 1.00 37.06 ATOM 1805 CA HIS 114 -15.870 -10.793 -37.248 1.00 21.23 ATOM 1806 HA HIS 114 -15.507 -10.985 -36.243 1.00 14.23 ATOM 1807 CB HIS 114 -16.538 -12.062 -37.780 1.00 4.50 ATOM 1808 HB1 HIS 114 -16.733 -11.956 -38.840 1.00 37.06 ATOM 1809 HB2 HIS 114 -17.477 -12.206 -37.264 1.00 21.30 ATOM 1810 CG HIS 114 -15.719 -13.299 -37.577 1.00 73.52 ATOM 1811 ND1 HIS 114 -15.349 -14.135 -38.610 1.00 53.41 ATOM 1812 HD1 HIS 114 -15.576 -14.012 -39.555 1.00 24.40 ATOM 1813 CD2 HIS 114 -15.198 -13.841 -36.452 1.00 25.41 ATOM 1814 HD2 HIS 114 -15.290 -13.448 -35.449 1.00 33.45 ATOM 1815 CE1 HIS 114 -14.637 -15.138 -38.129 1.00 1.32 ATOM 1816 HE1 HIS 114 -14.213 -15.946 -38.706 1.00 74.43 ATOM 1817 NE2 HIS 114 -14.530 -14.983 -36.821 1.00 42.04 ATOM 1818 HE2 HIS 114 -14.134 -15.635 -36.206 1.00 37.06 ATOM 1819 C HIS 114 -14.696 -10.408 -38.143 1.00 53.21 ATOM 1820 O HIS 114 -14.886 -9.894 -39.246 1.00 51.10 ATOM 1821 N HIS 115 -13.483 -10.659 -37.661 1.00 50.51 ATOM 1822 HN HIS 115 -13.393 -11.083 -36.773 1.00 37.06 ATOM 1823 CA HIS 115 -12.278 -10.337 -38.418 1.00 73.41 ATOM 1824 HA HIS 115 -12.372 -9.316 -38.778 1.00 73.24 ATOM 1825 CB HIS 115 -11.046 -10.429 -37.518 1.00 44.03 ATOM 1826 HB1 HIS 115 -10.149 -10.387 -38.124 1.00 37.06 ATOM 1827 HB2 HIS 115 -11.068 -11.367 -36.985 1.00 54.24 ATOM 1828 CG HIS 115 -10.961 -9.329 -36.505 1.00 23.40 ATOM 1829 ND1 HIS 115 -9.879 -8.480 -36.405 1.00 21.34 ATOM 1830 HD1 HIS 115 -9.077 -8.506 -36.968 1.00 43.32 ATOM 1831 CD2 HIS 115 -11.832 -8.941 -35.545 1.00 32.12 ATOM 1832 HD2 HIS 115 -12.794 -9.386 -35.335 1.00 24.15 ATOM 1833 CE1 HIS 115 -10.088 -7.618 -35.425 1.00 62.44 ATOM 1834 HE1 HIS 115 -9.411 -6.835 -35.117 1.00 11.31 ATOM 1835 NE2 HIS 115 -11.266 -7.876 -34.888 1.00 34.32 ATOM 1836 HE2 HIS 115 -11.628 -7.445 -34.086 1.00 37.06 ATOM 1837 C HIS 115 -12.122 -11.274 -39.613 1.00 4.34 ATOM 1838 O HIS 115 -12.224 -12.493 -39.476 1.00 72.31 ATOM 1839 N HIS 116 -11.873 -10.695 -40.783 1.00 72.23 ATOM 1840 HN HIS 116 -11.835 -9.713 -40.831 1.00 37.06 ATOM 1841 HA HIS 116 -12.471 -12.241 -42.030 1.00 63.24 ATOM 1842 CB HIS 116 -11.857 -10.585 -43.233 1.00 51.22 ATOM 1843 HB1 HIS 116 -12.761 -10.001 -43.134 1.00 37.06 ATOM 1844 HB2 HIS 116 -11.931 -11.207 -44.113 1.00 22.14 ATOM 1845 CG HIS 116 -10.714 -9.638 -43.434 1.00 30.14 ATOM 1846 ND1 HIS 116 -10.291 -9.222 -44.678 1.00 64.23 ATOM 1847 HD1 HIS 116 -10.681 -9.493 -45.535 1.00 51.53 ATOM 1848 CD2 HIS 116 -9.906 -9.024 -42.538 1.00 43.03 ATOM 1849 HD2 HIS 116 -9.938 -9.126 -41.465 1.00 74.23 ATOM 1850 CE1 HIS 116 -9.270 -8.395 -44.540 1.00 12.30 ATOM 1851 HE1 HIS 116 -8.734 -7.913 -45.344 1.00 51.03 ATOM 1852 NE2 HIS 116 -9.017 -8.257 -43.251 1.00 20.21 ATOM 1853 HE2 HIS 116 -8.373 -7.627 -42.866 1.00 37.06 ATOM 1854 CA HIS 116 -11.702 -11.478 -42.002 1.00 75.20 ATOM 1855 C HIS 116 -10.338 -12.161 -42.022 1.00 73.15 ATOM 1856 OT1 HIS 116 -9.415 -11.713 -41.301 1.00 37.06 ATOM 1857 OT2 HIS 116 -10.197 -13.153 -42.768 1.00 37.06 ATOM 1858 OH2 TIP3 1 -37.398 -10.901 -30.280 0.00 0.00 WAT1 ATOM 1859 H1 TIP3 1 -36.778 -11.578 -30.553 0.00 0.00 WAT1 ATOM 1860 H2 TIP3 1 -37.606 -11.119 -29.372 0.00 0.00 WAT1 ATOM 1861 OH2 TIP3 2 -30.345 -13.237 -22.956 0.00 0.00 WAT1 ATOM 1862 H1 TIP3 2 -30.394 -14.192 -22.993 0.00 0.00 WAT1 ATOM 1863 H2 TIP3 2 -31.171 -12.969 -22.554 0.00 0.00 WAT1 ATOM 1864 OH2 TIP3 3 -33.063 -9.369 -21.849 0.00 0.00 WAT1 ATOM 1865 H1 TIP3 3 -32.863 -8.945 -22.684 0.00 0.00 WAT1 ATOM 1866 H2 TIP3 3 -32.407 -9.026 -21.242 0.00 0.00 WAT1 ATOM 1867 OH2 TIP3 4 -34.620 -11.611 -24.169 0.00 0.00 WAT1 ATOM 1868 H1 TIP3 4 -35.222 -12.166 -24.664 0.00 0.00 WAT1 ATOM 1869 H2 TIP3 4 -34.339 -10.944 -24.795 0.00 0.00 WAT1 ATOM 1870 OH2 TIP3 5 -33.350 -11.357 -28.202 0.00 0.00 WAT1 ATOM 1871 H1 TIP3 5 -33.506 -10.679 -28.859 0.00 0.00 WAT1 ATOM 1872 H2 TIP3 5 -32.418 -11.285 -27.999 0.00 0.00 WAT1 ATOM 1873 OH2 TIP3 6 -30.634 -10.707 -27.973 0.00 0.00 WAT1 ATOM 1874 H1 TIP3 6 -30.656 -10.522 -27.034 0.00 0.00 WAT1 ATOM 1875 H2 TIP3 6 -29.944 -10.138 -28.314 0.00 0.00 WAT1 ATOM 1876 OH2 TIP3 7 -31.071 -11.140 -25.051 0.00 0.00 WAT1 ATOM 1877 H1 TIP3 7 -31.558 -11.875 -25.422 0.00 0.00 WAT1 ATOM 1878 H2 TIP3 7 -30.522 -11.533 -24.373 0.00 0.00 WAT1 ATOM 1879 OH2 TIP3 8 -32.620 -15.350 -20.413 0.00 0.00 WAT1 ATOM 1880 H1 TIP3 8 -33.486 -15.455 -20.019 0.00 0.00 WAT1 ATOM 1881 H2 TIP3 8 -32.244 -14.591 -19.966 0.00 0.00 WAT1 ATOM 1882 OH2 TIP3 9 -33.896 -10.617 -32.401 0.00 0.00 WAT1 ATOM 1883 H1 TIP3 9 -33.243 -10.964 -33.009 0.00 0.00 WAT1 ATOM 1884 H2 TIP3 9 -33.385 -10.128 -31.755 0.00 0.00 WAT1 ATOM 1885 OH2 TIP3 10 -36.901 -10.029 -23.396 0.00 0.00 WAT1 ATOM 1886 H1 TIP3 10 -36.224 -10.661 -23.636 0.00 0.00 WAT1 ATOM 1887 H2 TIP3 10 -36.579 -9.627 -22.588 0.00 0.00 WAT1 ATOM 1888 OH2 TIP3 11 -38.977 -9.969 -27.346 0.00 0.00 WAT1 ATOM 1889 H1 TIP3 11 -39.434 -9.440 -28.000 0.00 0.00 WAT1 ATOM 1890 H2 TIP3 11 -38.814 -9.366 -26.621 0.00 0.00 WAT1 ATOM 1891 OH2 TIP3 12 -36.650 -11.091 -26.401 0.00 0.00 WAT1 ATOM 1892 H1 TIP3 12 -37.554 -10.926 -26.667 0.00 0.00 WAT1 ATOM 1893 H2 TIP3 12 -36.221 -10.238 -26.467 0.00 0.00 WAT1 ATOM 1894 OH2 TIP3 13 -34.045 -9.521 -26.106 0.00 0.00 WAT1 ATOM 1895 H1 TIP3 13 -34.227 -8.605 -26.317 0.00 0.00 WAT1 ATOM 1896 H2 TIP3 13 -33.869 -9.931 -26.953 0.00 0.00 WAT1 ATOM 1897 OH2 TIP3 14 -32.698 -12.086 -22.243 0.00 0.00 WAT1 ATOM 1898 H1 TIP3 14 -33.480 -12.272 -22.763 0.00 0.00 WAT1 ATOM 1899 H2 TIP3 14 -32.770 -11.157 -22.026 0.00 0.00 WAT1 ATOM 1900 OH2 TIP3 15 -37.398 -10.901 -11.424 0.00 0.00 WAT1 ATOM 1901 H1 TIP3 15 -36.778 -11.578 -11.697 0.00 0.00 WAT1 ATOM 1902 H2 TIP3 15 -37.606 -11.119 -10.516 0.00 0.00 WAT1 ATOM 1903 OH2 TIP3 16 -33.997 -14.166 -9.288 0.00 0.00 WAT1 ATOM 1904 H1 TIP3 16 -34.939 -14.108 -9.127 0.00 0.00 WAT1 ATOM 1905 H2 TIP3 16 -33.721 -13.260 -9.425 0.00 0.00 WAT1 ATOM 1906 OH2 TIP3 17 -35.745 -12.385 -12.663 0.00 0.00 WAT1 ATOM 1907 H1 TIP3 17 -35.320 -13.092 -13.148 0.00 0.00 WAT1 ATOM 1908 H2 TIP3 17 -35.428 -11.584 -13.080 0.00 0.00 WAT1 ATOM 1909 OH2 TIP3 18 -31.262 -13.468 -19.078 0.00 0.00 WAT1 ATOM 1910 H1 TIP3 18 -31.189 -12.529 -18.908 0.00 0.00 WAT1 ATOM 1911 H2 TIP3 18 -30.357 -13.773 -19.135 0.00 0.00 WAT1 ATOM 1912 OH2 TIP3 19 -30.345 -13.237 -4.100 0.00 0.00 WAT1 ATOM 1913 H1 TIP3 19 -30.394 -14.192 -4.137 0.00 0.00 WAT1 ATOM 1914 H2 TIP3 19 -31.171 -12.969 -3.698 0.00 0.00 WAT1 ATOM 1915 OH2 TIP3 20 -38.952 -9.891 -15.418 0.00 0.00 WAT1 ATOM 1916 H1 TIP3 20 -39.027 -10.012 -16.364 0.00 0.00 WAT1 ATOM 1917 H2 TIP3 20 -38.919 -8.941 -15.299 0.00 0.00 WAT1 ATOM 1918 OH2 TIP3 21 -35.850 -10.737 -18.415 0.00 0.00 WAT1 ATOM 1919 H1 TIP3 21 -35.475 -11.481 -18.886 0.00 0.00 WAT1 ATOM 1920 H2 TIP3 21 -35.846 -11.007 -17.497 0.00 0.00 WAT1 ATOM 1921 OH2 TIP3 22 -36.181 -10.811 -15.666 0.00 0.00 WAT1 ATOM 1922 H1 TIP3 22 -37.116 -10.711 -15.487 0.00 0.00 WAT1 ATOM 1923 H2 TIP3 22 -35.901 -11.520 -15.088 0.00 0.00 WAT1 ATOM 1924 OH2 TIP3 23 -33.063 -9.369 -2.993 0.00 0.00 WAT1 ATOM 1925 H1 TIP3 23 -32.863 -8.945 -3.828 0.00 0.00 WAT1 ATOM 1926 H2 TIP3 23 -32.407 -9.026 -2.386 0.00 0.00 WAT1 ATOM 1927 OH2 TIP3 24 -32.468 -13.210 -16.529 0.00 0.00 WAT1 ATOM 1928 H1 TIP3 24 -32.841 -14.036 -16.219 0.00 0.00 WAT1 ATOM 1929 H2 TIP3 24 -32.191 -13.393 -17.426 0.00 0.00 WAT1 ATOM 1930 OH2 TIP3 25 -33.350 -11.357 -9.346 0.00 0.00 WAT1 ATOM 1931 H1 TIP3 25 -33.506 -10.679 -10.003 0.00 0.00 WAT1 ATOM 1932 H2 TIP3 25 -32.418 -11.285 -9.143 0.00 0.00 WAT1 ATOM 1933 OH2 TIP3 26 -34.343 -12.442 -19.889 0.00 0.00 WAT1 ATOM 1934 H1 TIP3 26 -34.060 -13.236 -19.436 0.00 0.00 WAT1 ATOM 1935 H2 TIP3 26 -33.603 -12.209 -20.450 0.00 0.00 WAT1 ATOM 1936 OH2 TIP3 27 -41.270 -9.626 -18.462 0.00 0.00 WAT1 ATOM 1937 H1 TIP3 27 -40.337 -9.468 -18.318 0.00 0.00 WAT1 ATOM 1938 H2 TIP3 27 -41.534 -8.951 -19.087 0.00 0.00 WAT1 ATOM 1939 OH2 TIP3 28 -31.071 -11.140 -6.195 0.00 0.00 WAT1 ATOM 1940 H1 TIP3 28 -31.558 -11.875 -6.566 0.00 0.00 WAT1 ATOM 1941 H2 TIP3 28 -30.522 -11.533 -5.517 0.00 0.00 WAT1 ATOM 1942 OH2 TIP3 29 -31.166 -16.255 -9.271 0.00 0.00 WAT1 ATOM 1943 H1 TIP3 29 -30.332 -16.633 -9.552 0.00 0.00 WAT1 ATOM 1944 H2 TIP3 29 -31.054 -15.312 -9.390 0.00 0.00 WAT1 ATOM 1945 OH2 TIP3 30 -32.679 -13.377 -6.964 0.00 0.00 WAT1 ATOM 1946 H1 TIP3 30 -33.327 -13.052 -6.339 0.00 0.00 WAT1 ATOM 1947 H2 TIP3 30 -33.197 -13.817 -7.639 0.00 0.00 WAT1 ATOM 1948 OH2 TIP3 31 -33.896 -10.617 -13.545 0.00 0.00 WAT1 ATOM 1949 H1 TIP3 31 -33.243 -10.964 -14.153 0.00 0.00 WAT1 ATOM 1950 H2 TIP3 31 -33.385 -10.128 -12.899 0.00 0.00 WAT1 ATOM 1951 OH2 TIP3 32 -34.045 -9.521 -7.250 0.00 0.00 WAT1 ATOM 1952 H1 TIP3 32 -34.227 -8.605 -7.461 0.00 0.00 WAT1 ATOM 1953 H2 TIP3 32 -33.869 -9.931 -8.097 0.00 0.00 WAT1 ATOM 1954 OH2 TIP3 33 -38.625 -10.400 -18.217 0.00 0.00 WAT1 ATOM 1955 H1 TIP3 33 -37.759 -10.034 -18.395 0.00 0.00 WAT1 ATOM 1956 H2 TIP3 33 -38.872 -10.840 -19.030 0.00 0.00 WAT1 ATOM 1957 OH2 TIP3 34 -32.698 -12.086 -3.387 0.00 0.00 WAT1 ATOM 1958 H1 TIP3 34 -33.480 -12.272 -3.907 0.00 0.00 WAT1 ATOM 1959 H2 TIP3 34 -32.770 -11.157 -3.170 0.00 0.00 WAT1 ATOM 1960 OH2 TIP3 35 -31.058 -0.722 -45.323 0.00 0.00 WAT1 ATOM 1961 H1 TIP3 35 -31.710 -0.027 -45.234 0.00 0.00 WAT1 ATOM 1962 H2 TIP3 35 -30.593 -0.512 -46.133 0.00 0.00 WAT1 ATOM 1963 OH2 TIP3 36 -30.345 5.619 -41.812 0.00 0.00 WAT1 ATOM 1964 H1 TIP3 36 -30.394 4.664 -41.849 0.00 0.00 WAT1 ATOM 1965 H2 TIP3 36 -31.171 5.887 -41.410 0.00 0.00 WAT1 ATOM 1966 OH2 TIP3 37 -33.063 9.487 -40.705 0.00 0.00 WAT1 ATOM 1967 H1 TIP3 37 -32.863 9.911 -41.540 0.00 0.00 WAT1 ATOM 1968 H2 TIP3 37 -32.407 9.830 -40.098 0.00 0.00 WAT1 ATOM 1969 OH2 TIP3 38 -30.800 2.660 -41.869 0.00 0.00 WAT1 ATOM 1970 H1 TIP3 38 -31.652 2.898 -42.236 0.00 0.00 WAT1 ATOM 1971 H2 TIP3 38 -30.210 2.643 -42.622 0.00 0.00 WAT1 ATOM 1972 OH2 TIP3 39 -36.462 5.469 -40.481 0.00 0.00 WAT1 ATOM 1973 H1 TIP3 39 -36.813 4.613 -40.238 0.00 0.00 WAT1 ATOM 1974 H2 TIP3 39 -35.736 5.612 -39.874 0.00 0.00 WAT1 ATOM 1975 OH2 TIP3 40 -34.884 -0.043 -41.161 0.00 0.00 WAT1 ATOM 1976 H1 TIP3 40 -35.165 0.666 -41.739 0.00 0.00 WAT1 ATOM 1977 H2 TIP3 40 -33.941 -0.116 -41.312 0.00 0.00 WAT1 ATOM 1978 OH2 TIP3 41 -31.166 2.601 -46.983 0.00 0.00 WAT1 ATOM 1979 H1 TIP3 41 -30.332 2.223 -47.264 0.00 0.00 WAT1 ATOM 1980 H2 TIP3 41 -31.054 3.544 -47.102 0.00 0.00 WAT1 ATOM 1981 OH2 TIP3 42 -32.282 0.307 -41.729 0.00 0.00 WAT1 ATOM 1982 H1 TIP3 42 -31.699 -0.427 -41.538 0.00 0.00 WAT1 ATOM 1983 H2 TIP3 42 -31.718 1.079 -41.683 0.00 0.00 WAT1 ATOM 1984 OH2 TIP3 43 -32.698 6.770 -41.099 0.00 0.00 WAT1 ATOM 1985 H1 TIP3 43 -33.480 6.584 -41.619 0.00 0.00 WAT1 ATOM 1986 H2 TIP3 43 -32.770 7.699 -40.882 0.00 0.00 WAT1 ATOM 1987 OH2 TIP3 44 -37.148 0.656 -32.213 0.00 0.00 WAT1 ATOM 1988 H1 TIP3 44 -37.059 1.600 -32.345 0.00 0.00 WAT1 ATOM 1989 H2 TIP3 44 -37.787 0.381 -32.871 0.00 0.00 WAT1 ATOM 1990 OH2 TIP3 45 -38.215 -0.089 -28.794 0.00 0.00 WAT1 ATOM 1991 H1 TIP3 45 -38.253 -0.735 -28.089 0.00 0.00 WAT1 ATOM 1992 H2 TIP3 45 -38.538 -0.555 -29.565 0.00 0.00 WAT1 ATOM 1993 OH2 TIP3 46 -44.923 3.976 -28.666 0.00 0.00 WAT1 ATOM 1994 H1 TIP3 46 -45.293 3.174 -29.035 0.00 0.00 WAT1 ATOM 1995 H2 TIP3 46 -43.982 3.807 -28.619 0.00 0.00 WAT1 ATOM 1996 OH2 TIP3 47 -39.826 2.344 -28.388 0.00 0.00 WAT1 ATOM 1997 H1 TIP3 47 -39.522 1.658 -28.982 0.00 0.00 WAT1 ATOM 1998 H2 TIP3 47 -39.104 2.462 -27.770 0.00 0.00 WAT1 ATOM 1999 OH2 TIP3 48 -35.808 -5.030 -32.387 0.00 0.00 WAT1 ATOM 2000 H1 TIP3 48 -35.162 -5.359 -31.762 0.00 0.00 WAT1 ATOM 2001 H2 TIP3 48 -35.298 -4.512 -33.010 0.00 0.00 WAT1 ATOM 2002 OH2 TIP3 49 -41.754 -1.214 -30.810 0.00 0.00 WAT1 ATOM 2003 H1 TIP3 49 -41.138 -1.740 -30.301 0.00 0.00 WAT1 ATOM 2004 H2 TIP3 49 -42.340 -1.854 -31.214 0.00 0.00 WAT1 ATOM 2005 OH2 TIP3 50 -42.151 1.433 -26.426 0.00 0.00 WAT1 ATOM 2006 H1 TIP3 50 -42.891 2.031 -26.323 0.00 0.00 WAT1 ATOM 2007 H2 TIP3 50 -41.437 1.987 -26.742 0.00 0.00 WAT1 ATOM 2008 OH2 TIP3 51 -43.743 3.397 -25.639 0.00 0.00 WAT1 ATOM 2009 H1 TIP3 51 -43.749 4.276 -26.017 0.00 0.00 WAT1 ATOM 2010 H2 TIP3 51 -44.597 3.314 -25.214 0.00 0.00 WAT1 ATOM 2011 OH2 TIP3 52 -40.694 -8.937 -29.261 0.00 0.00 WAT1 ATOM 2012 H1 TIP3 52 -40.811 -9.886 -29.315 0.00 0.00 WAT1 ATOM 2013 H2 TIP3 52 -41.549 -8.605 -28.988 0.00 0.00 WAT1 ATOM 2014 OH2 TIP3 53 -38.427 -0.100 -34.761 0.00 0.00 WAT1 ATOM 2015 H1 TIP3 53 -39.139 0.435 -35.112 0.00 0.00 WAT1 ATOM 2016 H2 TIP3 53 -37.736 -0.044 -35.421 0.00 0.00 WAT1 ATOM 2017 OH2 TIP3 54 -35.021 0.110 -33.809 0.00 0.00 WAT1 ATOM 2018 H1 TIP3 54 -35.753 0.338 -33.236 0.00 0.00 WAT1 ATOM 2019 H2 TIP3 54 -34.574 -0.604 -33.354 0.00 0.00 WAT1 ATOM 2020 OH2 TIP3 55 -43.376 0.740 -31.926 0.00 0.00 WAT1 ATOM 2021 H1 TIP3 55 -43.706 0.370 -32.745 0.00 0.00 WAT1 ATOM 2022 H2 TIP3 55 -42.788 0.070 -31.580 0.00 0.00 WAT1 ATOM 2023 OH2 TIP3 56 -42.009 4.168 -29.245 0.00 0.00 WAT1 ATOM 2024 H1 TIP3 56 -42.104 3.590 -30.002 0.00 0.00 WAT1 ATOM 2025 H2 TIP3 56 -41.280 3.797 -28.749 0.00 0.00 WAT1 ATOM 2026 OH2 TIP3 57 -42.129 3.908 -23.576 0.00 0.00 WAT1 ATOM 2027 H1 TIP3 57 -42.441 4.690 -23.120 0.00 0.00 WAT1 ATOM 2028 H2 TIP3 57 -42.779 3.755 -24.262 0.00 0.00 WAT1 ATOM 2029 OH2 TIP3 58 -36.150 -0.728 -36.124 0.00 0.00 WAT1 ATOM 2030 H1 TIP3 58 -35.571 -0.578 -35.377 0.00 0.00 WAT1 ATOM 2031 H2 TIP3 58 -35.736 -0.257 -36.847 0.00 0.00 WAT1 ATOM 2032 OH2 TIP3 59 -43.890 5.980 -22.812 0.00 0.00 WAT1 ATOM 2033 H1 TIP3 59 -43.882 5.844 -23.760 0.00 0.00 WAT1 ATOM 2034 H2 TIP3 59 -44.806 5.862 -22.560 0.00 0.00 WAT1 ATOM 2035 OH2 TIP3 60 -38.952 8.965 -34.274 0.00 0.00 WAT1 ATOM 2036 H1 TIP3 60 -39.027 8.844 -35.220 0.00 0.00 WAT1 ATOM 2037 H2 TIP3 60 -38.919 9.915 -34.155 0.00 0.00 WAT1 ATOM 2038 OH2 TIP3 61 -45.298 7.754 -32.493 0.00 0.00 WAT1 ATOM 2039 H1 TIP3 61 -45.146 7.406 -31.614 0.00 0.00 WAT1 ATOM 2040 H2 TIP3 61 -46.149 7.398 -32.748 0.00 0.00 WAT1 ATOM 2041 OH2 TIP3 62 -35.850 8.119 -37.271 0.00 0.00 WAT1 ATOM 2042 H1 TIP3 62 -35.475 7.375 -37.742 0.00 0.00 WAT1 ATOM 2043 H2 TIP3 62 -35.846 7.849 -36.353 0.00 0.00 WAT1 ATOM 2044 OH2 TIP3 63 -36.181 8.045 -34.522 0.00 0.00 WAT1 ATOM 2045 H1 TIP3 63 -37.116 8.145 -34.343 0.00 0.00 WAT1 ATOM 2046 H2 TIP3 63 -35.901 7.336 -33.944 0.00 0.00 WAT1 ATOM 2047 OH2 TIP3 64 -38.762 -8.312 -25.109 0.00 0.00 WAT1 ATOM 2048 H1 TIP3 64 -38.342 -8.727 -24.356 0.00 0.00 WAT1 ATOM 2049 H2 TIP3 64 -39.695 -8.490 -24.992 0.00 0.00 WAT1 ATOM 2050 OH2 TIP3 65 -34.673 0.305 -38.494 0.00 0.00 WAT1 ATOM 2051 H1 TIP3 65 -34.631 0.082 -39.424 0.00 0.00 WAT1 ATOM 2052 H2 TIP3 65 -33.824 0.703 -38.304 0.00 0.00 WAT1 ATOM 2053 OH2 TIP3 66 -43.334 -3.068 -27.388 0.00 0.00 WAT1 ATOM 2054 H1 TIP3 66 -43.976 -3.109 -26.679 0.00 0.00 WAT1 ATOM 2055 H2 TIP3 66 -43.297 -2.142 -27.626 0.00 0.00 WAT1 ATOM 2056 OH2 TIP3 67 -37.801 -2.431 -33.659 0.00 0.00 WAT1 ATOM 2057 H1 TIP3 67 -38.210 -1.616 -33.951 0.00 0.00 WAT1 ATOM 2058 H2 TIP3 67 -37.081 -2.571 -34.274 0.00 0.00 WAT1 ATOM 2059 OH2 TIP3 68 -40.755 -5.420 -31.390 0.00 0.00 WAT1 ATOM 2060 H1 TIP3 68 -41.666 -5.363 -31.101 0.00 0.00 WAT1 ATOM 2061 H2 TIP3 68 -40.250 -5.480 -30.579 0.00 0.00 WAT1 ATOM 2062 OH2 TIP3 69 -39.435 -2.632 -29.503 0.00 0.00 WAT1 ATOM 2063 H1 TIP3 69 -38.871 -3.179 -30.050 0.00 0.00 WAT1 ATOM 2064 H2 TIP3 69 -39.583 -3.154 -28.714 0.00 0.00 WAT1 ATOM 2065 OH2 TIP3 70 -40.809 -4.244 -27.089 0.00 0.00 WAT1 ATOM 2066 H1 TIP3 70 -41.644 -3.790 -26.979 0.00 0.00 WAT1 ATOM 2067 H2 TIP3 70 -40.285 -3.968 -26.337 0.00 0.00 WAT1 ATOM 2068 OH2 TIP3 71 -40.265 1.969 -35.404 0.00 0.00 WAT1 ATOM 2069 H1 TIP3 71 -41.009 1.462 -35.727 0.00 0.00 WAT1 ATOM 2070 H2 TIP3 71 -40.399 2.018 -34.458 0.00 0.00 WAT1 ATOM 2071 OH2 TIP3 72 -38.745 2.153 -24.167 0.00 0.00 WAT1 ATOM 2072 H1 TIP3 72 -39.091 1.772 -23.361 0.00 0.00 WAT1 ATOM 2073 H2 TIP3 72 -38.945 3.087 -24.096 0.00 0.00 WAT1 ATOM 2074 OH2 TIP3 73 -38.139 3.428 -36.379 0.00 0.00 WAT1 ATOM 2075 H1 TIP3 73 -38.434 4.254 -35.997 0.00 0.00 WAT1 ATOM 2076 H2 TIP3 73 -38.842 2.808 -36.183 0.00 0.00 WAT1 ATOM 2077 OH2 TIP3 74 -41.115 -0.758 -22.107 0.00 0.00 WAT1 ATOM 2078 H1 TIP3 74 -41.411 -0.924 -23.002 0.00 0.00 WAT1 ATOM 2079 H2 TIP3 74 -40.184 -0.978 -22.117 0.00 0.00 WAT1 ATOM 2080 OH2 TIP3 75 -30.764 -3.140 -35.850 0.00 0.00 WAT1 ATOM 2081 H1 TIP3 75 -31.318 -3.536 -36.522 0.00 0.00 WAT1 ATOM 2082 H2 TIP3 75 -30.663 -2.230 -36.127 0.00 0.00 WAT1 ATOM 2083 OH2 TIP3 76 -42.765 4.782 -32.230 0.00 0.00 WAT1 ATOM 2084 H1 TIP3 76 -42.238 5.555 -32.431 0.00 0.00 WAT1 ATOM 2085 H2 TIP3 76 -43.645 5.007 -32.532 0.00 0.00 WAT1 ATOM 2086 OH2 TIP3 77 -41.338 2.445 -32.654 0.00 0.00 WAT1 ATOM 2087 H1 TIP3 77 -41.579 3.370 -32.612 0.00 0.00 WAT1 ATOM 2088 H2 TIP3 77 -42.078 1.986 -32.258 0.00 0.00 WAT1 ATOM 2089 OH2 TIP3 78 -42.654 7.467 -33.109 0.00 0.00 WAT1 ATOM 2090 H1 TIP3 78 -43.604 7.572 -33.057 0.00 0.00 WAT1 ATOM 2091 H2 TIP3 78 -42.303 8.287 -32.764 0.00 0.00 WAT1 ATOM 2092 OH2 TIP3 79 -30.572 8.102 -37.363 0.00 0.00 WAT1 ATOM 2093 H1 TIP3 79 -29.829 8.688 -37.503 0.00 0.00 WAT1 ATOM 2094 H2 TIP3 79 -31.267 8.670 -37.030 0.00 0.00 WAT1 ATOM 2095 OH2 TIP3 80 -42.048 4.304 -36.661 0.00 0.00 WAT1 ATOM 2096 H1 TIP3 80 -41.901 3.784 -35.871 0.00 0.00 WAT1 ATOM 2097 H2 TIP3 80 -42.051 5.211 -36.355 0.00 0.00 WAT1 ATOM 2098 OH2 TIP3 81 -36.979 -6.129 -34.775 0.00 0.00 WAT1 ATOM 2099 H1 TIP3 81 -36.759 -5.657 -35.578 0.00 0.00 WAT1 ATOM 2100 H2 TIP3 81 -36.421 -5.734 -34.104 0.00 0.00 WAT1 ATOM 2101 OH2 TIP3 82 -39.310 6.002 -35.912 0.00 0.00 WAT1 ATOM 2102 H1 TIP3 82 -40.127 6.499 -35.859 0.00 0.00 WAT1 ATOM 2103 H2 TIP3 82 -38.781 6.477 -36.552 0.00 0.00 WAT1 ATOM 2104 OH2 TIP3 83 -39.779 -4.401 -33.940 0.00 0.00 WAT1 ATOM 2105 H1 TIP3 83 -38.967 -3.897 -33.894 0.00 0.00 WAT1 ATOM 2106 H2 TIP3 83 -40.024 -4.546 -33.026 0.00 0.00 WAT1 ATOM 2107 OH2 TIP3 84 -38.895 -7.320 -33.002 0.00 0.00 WAT1 ATOM 2108 H1 TIP3 84 -39.242 -6.702 -32.357 0.00 0.00 WAT1 ATOM 2109 H2 TIP3 84 -38.237 -6.819 -33.483 0.00 0.00 WAT1 ATOM 2110 OH2 TIP3 85 -41.972 7.045 -35.930 0.00 0.00 WAT1 ATOM 2111 H1 TIP3 85 -41.811 7.845 -36.431 0.00 0.00 WAT1 ATOM 2112 H2 TIP3 85 -42.169 7.352 -35.045 0.00 0.00 WAT1 ATOM 2113 OH2 TIP3 86 -43.039 7.089 -20.354 0.00 0.00 WAT1 ATOM 2114 H1 TIP3 86 -42.271 6.630 -20.013 0.00 0.00 WAT1 ATOM 2115 H2 TIP3 86 -43.060 6.863 -21.284 0.00 0.00 WAT1 ATOM 2116 OH2 TIP3 87 -38.947 6.597 -38.979 0.00 0.00 WAT1 ATOM 2117 H1 TIP3 87 -39.591 5.966 -38.657 0.00 0.00 WAT1 ATOM 2118 H2 TIP3 87 -38.185 6.066 -39.211 0.00 0.00 WAT1 ATOM 2119 OH2 TIP3 88 -34.343 6.414 -38.745 0.00 0.00 WAT1 ATOM 2120 H1 TIP3 88 -34.060 5.620 -38.292 0.00 0.00 WAT1 ATOM 2121 H2 TIP3 88 -33.603 6.647 -39.306 0.00 0.00 WAT1 ATOM 2122 OH2 TIP3 89 -41.074 1.950 -21.587 0.00 0.00 WAT1 ATOM 2123 H1 TIP3 89 -41.402 2.221 -22.445 0.00 0.00 WAT1 ATOM 2124 H2 TIP3 89 -40.922 1.009 -21.675 0.00 0.00 WAT1 ATOM 2125 OH2 TIP3 90 -38.036 3.371 -39.152 0.00 0.00 WAT1 ATOM 2126 H1 TIP3 90 -38.304 3.551 -38.251 0.00 0.00 WAT1 ATOM 2127 H2 TIP3 90 -38.242 2.445 -39.283 0.00 0.00 WAT1 ATOM 2128 OH2 TIP3 91 -42.950 -1.811 -24.226 0.00 0.00 WAT1 ATOM 2129 H1 TIP3 91 -43.568 -1.136 -23.945 0.00 0.00 WAT1 ATOM 2130 H2 TIP3 91 -42.606 -1.490 -25.059 0.00 0.00 WAT1 ATOM 2131 OH2 TIP3 92 -31.778 0.894 -38.874 0.00 0.00 WAT1 ATOM 2132 H1 TIP3 92 -32.051 0.469 -39.687 0.00 0.00 WAT1 ATOM 2133 H2 TIP3 92 -31.738 1.825 -39.091 0.00 0.00 WAT1 ATOM 2134 OH2 TIP3 93 -42.610 -4.456 -23.143 0.00 0.00 WAT1 ATOM 2135 H1 TIP3 93 -42.460 -5.185 -23.746 0.00 0.00 WAT1 ATOM 2136 H2 TIP3 93 -42.608 -3.679 -23.702 0.00 0.00 WAT1 ATOM 2137 OH2 TIP3 94 -42.198 -6.086 -25.651 0.00 0.00 WAT1 ATOM 2138 H1 TIP3 94 -41.662 -5.635 -26.303 0.00 0.00 WAT1 ATOM 2139 H2 TIP3 94 -43.050 -6.194 -26.073 0.00 0.00 WAT1 ATOM 2140 OH2 TIP3 95 -40.616 -0.647 -25.411 0.00 0.00 WAT1 ATOM 2141 H1 TIP3 95 -39.865 -0.803 -25.984 0.00 0.00 WAT1 ATOM 2142 H2 TIP3 95 -40.955 0.205 -25.687 0.00 0.00 WAT1 ATOM 2143 OH2 TIP3 96 -44.132 -3.258 -21.232 0.00 0.00 WAT1 ATOM 2144 H1 TIP3 96 -44.899 -3.790 -21.442 0.00 0.00 WAT1 ATOM 2145 H2 TIP3 96 -43.453 -3.568 -21.831 0.00 0.00 WAT1 ATOM 2146 OH2 TIP3 97 -41.392 -8.630 -25.219 0.00 0.00 WAT1 ATOM 2147 H1 TIP3 97 -41.490 -7.683 -25.325 0.00 0.00 WAT1 ATOM 2148 H2 TIP3 97 -42.135 -9.002 -25.695 0.00 0.00 WAT1 ATOM 2149 OH2 TIP3 98 -40.128 -4.308 -21.656 0.00 0.00 WAT1 ATOM 2150 H1 TIP3 98 -40.364 -4.528 -20.754 0.00 0.00 WAT1 ATOM 2151 H2 TIP3 98 -40.911 -4.515 -22.165 0.00 0.00 WAT1 ATOM 2152 OH2 TIP3 99 -41.170 -9.336 -22.548 0.00 0.00 WAT1 ATOM 2153 H1 TIP3 99 -40.458 -9.976 -22.562 0.00 0.00 WAT1 ATOM 2154 H2 TIP3 99 -41.271 -9.069 -23.462 0.00 0.00 WAT1 ATOM 2155 OH2 TIP3 100 -40.817 -7.653 -20.494 0.00 0.00 WAT1 ATOM 2156 H1 TIP3 100 -40.948 -8.129 -21.315 0.00 0.00 WAT1 ATOM 2157 H2 TIP3 100 -41.416 -6.909 -20.550 0.00 0.00 WAT1 ATOM 2158 OH2 TIP3 101 -41.270 9.230 -37.318 0.00 0.00 WAT1 ATOM 2159 H1 TIP3 101 -40.337 9.388 -37.174 0.00 0.00 WAT1 ATOM 2160 H2 TIP3 101 -41.534 9.905 -37.943 0.00 0.00 WAT1 ATOM 2161 OH2 TIP3 102 -30.657 -0.283 -36.684 0.00 0.00 WAT1 ATOM 2162 H1 TIP3 102 -31.178 0.074 -37.403 0.00 0.00 WAT1 ATOM 2163 H2 TIP3 102 -30.690 0.392 -36.006 0.00 0.00 WAT1 ATOM 2164 OH2 TIP3 103 -32.308 -3.043 -38.133 0.00 0.00 WAT1 ATOM 2165 H1 TIP3 103 -32.211 -2.376 -38.813 0.00 0.00 WAT1 ATOM 2166 H2 TIP3 103 -32.448 -3.859 -38.615 0.00 0.00 WAT1 ATOM 2167 OH2 TIP3 104 -33.138 -1.663 -32.512 0.00 0.00 WAT1 ATOM 2168 H1 TIP3 104 -33.288 -2.608 -32.532 0.00 0.00 WAT1 ATOM 2169 H2 TIP3 104 -33.492 -1.382 -31.668 0.00 0.00 WAT1 ATOM 2170 OH2 TIP3 105 -33.428 -4.080 -34.050 0.00 0.00 WAT1 ATOM 2171 H1 TIP3 105 -33.148 -4.987 -33.925 0.00 0.00 WAT1 ATOM 2172 H2 TIP3 105 -32.669 -3.646 -34.439 0.00 0.00 WAT1 ATOM 2173 OH2 TIP3 106 -32.814 -6.817 -34.001 0.00 0.00 WAT1 ATOM 2174 H1 TIP3 106 -32.632 -7.266 -33.176 0.00 0.00 WAT1 ATOM 2175 H2 TIP3 106 -33.414 -7.402 -34.465 0.00 0.00 WAT1 ATOM 2176 OH2 TIP3 107 -43.557 6.143 -25.599 0.00 0.00 WAT1 ATOM 2177 H1 TIP3 107 -43.982 6.952 -25.882 0.00 0.00 WAT1 ATOM 2178 H2 TIP3 107 -42.652 6.228 -25.901 0.00 0.00 WAT1 ATOM 2179 OH2 TIP3 108 -31.983 -8.583 -24.316 0.00 0.00 WAT1 ATOM 2180 H1 TIP3 108 -32.796 -8.258 -24.704 0.00 0.00 WAT1 ATOM 2181 H2 TIP3 108 -31.750 -9.343 -24.849 0.00 0.00 WAT1 ATOM 2182 OH2 TIP3 109 -43.688 8.999 -26.522 0.00 0.00 WAT1 ATOM 2183 H1 TIP3 109 -44.553 9.071 -26.118 0.00 0.00 WAT1 ATOM 2184 H2 TIP3 109 -43.743 9.546 -27.306 0.00 0.00 WAT1 ATOM 2185 OH2 TIP3 110 -44.599 6.732 -29.986 0.00 0.00 WAT1 ATOM 2186 H1 TIP3 110 -44.818 5.816 -29.817 0.00 0.00 WAT1 ATOM 2187 H2 TIP3 110 -43.775 6.872 -29.520 0.00 0.00 WAT1 ATOM 2188 OH2 TIP3 111 -42.062 7.202 -29.138 0.00 0.00 WAT1 ATOM 2189 H1 TIP3 111 -41.849 6.314 -29.425 0.00 0.00 WAT1 ATOM 2190 H2 TIP3 111 -41.997 7.168 -28.183 0.00 0.00 WAT1 ATOM 2191 OH2 TIP3 112 -38.553 -7.134 -29.993 0.00 0.00 WAT1 ATOM 2192 H1 TIP3 112 -39.228 -7.763 -29.738 0.00 0.00 WAT1 ATOM 2193 H2 TIP3 112 -37.989 -7.618 -30.596 0.00 0.00 WAT1 ATOM 2194 OH2 TIP3 113 -33.411 -9.027 -29.881 0.00 0.00 WAT1 ATOM 2195 H1 TIP3 113 -32.807 -8.479 -30.382 0.00 0.00 WAT1 ATOM 2196 H2 TIP3 113 -34.280 -8.707 -30.121 0.00 0.00 WAT1 ATOM 2197 OH2 TIP3 114 -31.684 -7.888 -31.547 0.00 0.00 WAT1 ATOM 2198 H1 TIP3 114 -31.072 -8.402 -32.074 0.00 0.00 WAT1 ATOM 2199 H2 TIP3 114 -31.301 -7.010 -31.524 0.00 0.00 WAT1 ATOM 2200 OH2 TIP3 115 -36.090 -8.543 -30.709 0.00 0.00 WAT1 ATOM 2201 H1 TIP3 115 -36.014 -8.448 -31.658 0.00 0.00 WAT1 ATOM 2202 H2 TIP3 115 -36.366 -9.451 -30.580 0.00 0.00 WAT1 ATOM 2203 OH2 TIP3 116 -38.625 8.456 -37.073 0.00 0.00 WAT1 ATOM 2204 H1 TIP3 116 -37.759 8.822 -37.251 0.00 0.00 WAT1 ATOM 2205 H2 TIP3 116 -38.872 8.016 -37.886 0.00 0.00 WAT1 ATOM 2206 OH2 TIP3 117 -35.874 -9.303 -20.936 0.00 0.00 WAT1 ATOM 2207 H1 TIP3 117 -35.798 -9.729 -20.082 0.00 0.00 WAT1 ATOM 2208 H2 TIP3 117 -34.981 -9.289 -21.278 0.00 0.00 WAT1 ATOM 2209 OH2 TIP3 118 -37.148 0.656 -13.357 0.00 0.00 WAT1 ATOM 2210 H1 TIP3 118 -37.059 1.600 -13.489 0.00 0.00 WAT1 ATOM 2211 H2 TIP3 118 -37.787 0.381 -14.015 0.00 0.00 WAT1 ATOM 2212 OH2 TIP3 119 -38.215 -0.089 -9.938 0.00 0.00 WAT1 ATOM 2213 H1 TIP3 119 -38.253 -0.735 -9.233 0.00 0.00 WAT1 ATOM 2214 H2 TIP3 119 -38.538 -0.555 -10.709 0.00 0.00 WAT1 ATOM 2215 OH2 TIP3 120 -34.509 2.850 -11.636 0.00 0.00 WAT1 ATOM 2216 H1 TIP3 120 -34.950 2.130 -11.186 0.00 0.00 WAT1 ATOM 2217 H2 TIP3 120 -34.522 3.571 -11.006 0.00 0.00 WAT1 ATOM 2218 OH2 TIP3 121 -37.398 7.955 -11.424 0.00 0.00 WAT1 ATOM 2219 H1 TIP3 121 -36.778 7.278 -11.697 0.00 0.00 WAT1 ATOM 2220 H2 TIP3 121 -37.606 7.737 -10.516 0.00 0.00 WAT1 ATOM 2221 OH2 TIP3 122 -36.685 -3.262 -9.204 0.00 0.00 WAT1 ATOM 2222 H1 TIP3 122 -36.542 -4.209 -9.184 0.00 0.00 WAT1 ATOM 2223 H2 TIP3 122 -36.791 -3.055 -10.133 0.00 0.00 WAT1 ATOM 2224 OH2 TIP3 123 -41.754 -1.214 -11.954 0.00 0.00 WAT1 ATOM 2225 H1 TIP3 123 -41.138 -1.740 -11.445 0.00 0.00 WAT1 ATOM 2226 H2 TIP3 123 -42.340 -1.854 -12.358 0.00 0.00 WAT1 ATOM 2227 OH2 TIP3 124 -37.351 3.257 -14.314 0.00 0.00 WAT1 ATOM 2228 H1 TIP3 124 -37.647 2.935 -15.165 0.00 0.00 WAT1 ATOM 2229 H2 TIP3 124 -37.675 4.157 -14.272 0.00 0.00 WAT1 ATOM 2230 OH2 TIP3 125 -33.997 4.690 -9.288 0.00 0.00 WAT1 ATOM 2231 H1 TIP3 125 -34.939 4.748 -9.127 0.00 0.00 WAT1 ATOM 2232 H2 TIP3 125 -33.721 5.596 -9.425 0.00 0.00 WAT1 ATOM 2233 OH2 TIP3 126 -33.697 -7.024 -7.871 0.00 0.00 WAT1 ATOM 2234 H1 TIP3 126 -34.433 -6.413 -7.909 0.00 0.00 WAT1 ATOM 2235 H2 TIP3 126 -33.013 -6.609 -8.397 0.00 0.00 WAT1 ATOM 2236 OH2 TIP3 127 -35.745 6.471 -12.663 0.00 0.00 WAT1 ATOM 2237 H1 TIP3 127 -35.320 5.764 -13.148 0.00 0.00 WAT1 ATOM 2238 H2 TIP3 127 -35.428 7.272 -13.080 0.00 0.00 WAT1 ATOM 2239 OH2 TIP3 128 -32.900 2.938 -5.677 0.00 0.00 WAT1 ATOM 2240 H1 TIP3 128 -32.760 2.347 -6.416 0.00 0.00 WAT1 ATOM 2241 H2 TIP3 128 -32.732 3.811 -6.033 0.00 0.00 WAT1 ATOM 2242 OH2 TIP3 129 -38.427 -0.100 -15.905 0.00 0.00 WAT1 ATOM 2243 H1 TIP3 129 -39.139 0.435 -16.256 0.00 0.00 WAT1 ATOM 2244 H2 TIP3 129 -37.736 -0.044 -16.565 0.00 0.00 WAT1 ATOM 2245 OH2 TIP3 130 -35.124 -1.716 -5.885 0.00 0.00 WAT1 ATOM 2246 H1 TIP3 130 -35.044 -0.953 -5.313 0.00 0.00 WAT1 ATOM 2247 H2 TIP3 130 -35.725 -1.437 -6.576 0.00 0.00 WAT1 ATOM 2248 OH2 TIP3 131 -38.424 6.009 -13.833 0.00 0.00 WAT1 ATOM 2249 H1 TIP3 131 -37.950 6.304 -13.055 0.00 0.00 WAT1 ATOM 2250 H2 TIP3 131 -38.987 6.747 -14.066 0.00 0.00 WAT1 ATOM 2251 OH2 TIP3 132 -30.345 5.619 -4.100 0.00 0.00 WAT1 ATOM 2252 H1 TIP3 132 -30.394 4.664 -4.137 0.00 0.00 WAT1 ATOM 2253 H2 TIP3 132 -31.171 5.887 -3.698 0.00 0.00 WAT1 ATOM 2254 OH2 TIP3 133 -38.952 8.965 -15.418 0.00 0.00 WAT1 ATOM 2255 H1 TIP3 133 -39.027 8.844 -16.364 0.00 0.00 WAT1 ATOM 2256 H2 TIP3 133 -38.919 9.915 -15.299 0.00 0.00 WAT1 ATOM 2257 OH2 TIP3 134 -33.193 -2.888 -3.620 0.00 0.00 WAT1 ATOM 2258 H1 TIP3 134 -33.600 -2.407 -4.340 0.00 0.00 WAT1 ATOM 2259 H2 TIP3 134 -33.152 -3.793 -3.927 0.00 0.00 WAT1 ATOM 2260 OH2 TIP3 135 -35.436 -4.556 -5.399 0.00 0.00 WAT1 ATOM 2261 H1 TIP3 135 -35.950 -4.682 -4.602 0.00 0.00 WAT1 ATOM 2262 H2 TIP3 135 -35.591 -3.644 -5.644 0.00 0.00 WAT1 ATOM 2263 OH2 TIP3 136 -42.218 -5.374 -19.867 0.00 0.00 WAT1 ATOM 2264 H1 TIP3 136 -42.649 -5.819 -19.137 0.00 0.00 WAT1 ATOM 2265 H2 TIP3 136 -42.936 -5.002 -20.379 0.00 0.00 WAT1 ATOM 2266 OH2 TIP3 137 -37.533 -1.347 -7.318 0.00 0.00 WAT1 ATOM 2267 H1 TIP3 137 -37.209 -1.978 -7.961 0.00 0.00 WAT1 ATOM 2268 H2 TIP3 137 -37.973 -1.882 -6.657 0.00 0.00 WAT1 ATOM 2269 OH2 TIP3 138 -40.755 -5.420 -12.534 0.00 0.00 WAT1 ATOM 2270 H1 TIP3 138 -41.666 -5.363 -12.245 0.00 0.00 WAT1 ATOM 2271 H2 TIP3 138 -40.250 -5.480 -11.723 0.00 0.00 WAT1 ATOM 2272 OH2 TIP3 139 -42.274 -3.791 -16.051 0.00 0.00 WAT1 ATOM 2273 H1 TIP3 139 -41.342 -3.662 -15.873 0.00 0.00 WAT1 ATOM 2274 H2 TIP3 139 -42.489 -3.121 -16.700 0.00 0.00 WAT1 ATOM 2275 OH2 TIP3 140 -36.350 -6.185 -9.270 0.00 0.00 WAT1 ATOM 2276 H1 TIP3 140 -37.027 -6.054 -8.606 0.00 0.00 WAT1 ATOM 2277 H2 TIP3 140 -36.836 -6.340 -10.080 0.00 0.00 WAT1 ATOM 2278 OH2 TIP3 141 -43.600 -2.596 -18.484 0.00 0.00 WAT1 ATOM 2279 H1 TIP3 141 -44.142 -2.976 -19.175 0.00 0.00 WAT1 ATOM 2280 H2 TIP3 141 -42.766 -2.402 -18.913 0.00 0.00 WAT1 ATOM 2281 OH2 TIP3 142 -39.435 -2.632 -10.647 0.00 0.00 WAT1 ATOM 2282 H1 TIP3 142 -38.871 -3.179 -11.194 0.00 0.00 WAT1 ATOM 2283 H2 TIP3 142 -39.583 -3.154 -9.858 0.00 0.00 WAT1 ATOM 2284 OH2 TIP3 143 -40.265 1.969 -16.548 0.00 0.00 WAT1 ATOM 2285 H1 TIP3 143 -41.009 1.462 -16.871 0.00 0.00 WAT1 ATOM 2286 H2 TIP3 143 -40.399 2.018 -15.602 0.00 0.00 WAT1 ATOM 2287 OH2 TIP3 144 -33.115 1.102 -7.762 0.00 0.00 WAT1 ATOM 2288 H1 TIP3 144 -32.473 1.559 -8.305 0.00 0.00 WAT1 ATOM 2289 H2 TIP3 144 -33.945 1.215 -8.224 0.00 0.00 WAT1 ATOM 2290 OH2 TIP3 145 -30.800 2.660 -4.157 0.00 0.00 WAT1 ATOM 2291 H1 TIP3 145 -31.652 2.898 -4.524 0.00 0.00 WAT1 ATOM 2292 H2 TIP3 145 -30.210 2.643 -4.910 0.00 0.00 WAT1 ATOM 2293 OH2 TIP3 146 -35.308 0.454 -9.507 0.00 0.00 WAT1 ATOM 2294 H1 TIP3 146 -36.236 0.222 -9.534 0.00 0.00 WAT1 ATOM 2295 H2 TIP3 146 -34.857 -0.323 -9.837 0.00 0.00 WAT1 ATOM 2296 OH2 TIP3 147 -41.338 2.445 -13.798 0.00 0.00 WAT1 ATOM 2297 H1 TIP3 147 -41.579 3.370 -13.756 0.00 0.00 WAT1 ATOM 2298 H2 TIP3 147 -42.078 1.986 -13.402 0.00 0.00 WAT1 ATOM 2299 OH2 TIP3 148 -40.985 4.734 -20.261 0.00 0.00 WAT1 ATOM 2300 H1 TIP3 148 -40.746 3.986 -20.809 0.00 0.00 WAT1 ATOM 2301 H2 TIP3 148 -41.254 4.346 -19.429 0.00 0.00 WAT1 ATOM 2302 OH2 TIP3 149 -42.048 4.304 -17.805 0.00 0.00 WAT1 ATOM 2303 H1 TIP3 149 -41.901 3.784 -17.015 0.00 0.00 WAT1 ATOM 2304 H2 TIP3 149 -42.051 5.211 -17.499 0.00 0.00 WAT1 ATOM 2305 OH2 TIP3 150 -37.763 -5.781 -7.016 0.00 0.00 WAT1 ATOM 2306 H1 TIP3 150 -37.065 -5.707 -6.366 0.00 0.00 WAT1 ATOM 2307 H2 TIP3 150 -38.144 -6.645 -6.861 0.00 0.00 WAT1 ATOM 2308 OH2 TIP3 151 -39.310 6.002 -17.056 0.00 0.00 WAT1 ATOM 2309 H1 TIP3 151 -40.127 6.499 -17.003 0.00 0.00 WAT1 ATOM 2310 H2 TIP3 151 -38.781 6.477 -17.696 0.00 0.00 WAT1 ATOM 2311 OH2 TIP3 152 -39.779 -4.401 -15.084 0.00 0.00 WAT1 ATOM 2312 H1 TIP3 152 -38.967 -3.897 -15.038 0.00 0.00 WAT1 ATOM 2313 H2 TIP3 152 -40.024 -4.546 -14.170 0.00 0.00 WAT1 ATOM 2314 OH2 TIP3 153 -38.895 -7.320 -14.146 0.00 0.00 WAT1 ATOM 2315 H1 TIP3 153 -39.242 -6.702 -13.501 0.00 0.00 WAT1 ATOM 2316 H2 TIP3 153 -38.237 -6.819 -14.627 0.00 0.00 WAT1 ATOM 2317 OH2 TIP3 154 -41.972 7.045 -17.074 0.00 0.00 WAT1 ATOM 2318 H1 TIP3 154 -41.811 7.845 -17.575 0.00 0.00 WAT1 ATOM 2319 H2 TIP3 154 -42.169 7.352 -16.189 0.00 0.00 WAT1 ATOM 2320 OH2 TIP3 155 -43.238 -6.257 -17.458 0.00 0.00 WAT1 ATOM 2321 H1 TIP3 155 -43.321 -5.368 -17.112 0.00 0.00 WAT1 ATOM 2322 H2 TIP3 155 -42.348 -6.522 -17.227 0.00 0.00 WAT1 ATOM 2323 OH2 TIP3 156 -33.039 -5.508 -5.064 0.00 0.00 WAT1 ATOM 2324 H1 TIP3 156 -33.955 -5.245 -5.152 0.00 0.00 WAT1 ATOM 2325 H2 TIP3 156 -32.703 -5.511 -5.961 0.00 0.00 WAT1 ATOM 2326 OH2 TIP3 157 -33.350 7.499 -9.346 0.00 0.00 WAT1 ATOM 2327 H1 TIP3 157 -33.506 8.177 -10.003 0.00 0.00 WAT1 ATOM 2328 H2 TIP3 157 -32.418 7.571 -9.143 0.00 0.00 WAT1 ATOM 2329 OH2 TIP3 158 -38.947 6.597 -20.123 0.00 0.00 WAT1 ATOM 2330 H1 TIP3 158 -39.591 5.966 -19.801 0.00 0.00 WAT1 ATOM 2331 H2 TIP3 158 -38.185 6.066 -20.355 0.00 0.00 WAT1 ATOM 2332 OH2 TIP3 159 -43.388 2.324 -20.032 0.00 0.00 WAT1 ATOM 2333 H1 TIP3 159 -43.324 1.530 -19.501 0.00 0.00 WAT1 ATOM 2334 H2 TIP3 159 -42.735 2.205 -20.721 0.00 0.00 WAT1 ATOM 2335 OH2 TIP3 160 -42.239 0.296 -17.726 0.00 0.00 WAT1 ATOM 2336 H1 TIP3 160 -42.698 -0.188 -17.040 0.00 0.00 WAT1 ATOM 2337 H2 TIP3 160 -41.984 -0.372 -18.362 0.00 0.00 WAT1 ATOM 2338 OH2 TIP3 161 -41.168 -1.461 -19.463 0.00 0.00 WAT1 ATOM 2339 H1 TIP3 161 -41.348 -1.615 -20.391 0.00 0.00 WAT1 ATOM 2340 H2 TIP3 161 -40.217 -1.353 -19.419 0.00 0.00 WAT1 ATOM 2341 OH2 TIP3 162 -41.270 9.230 -18.462 0.00 0.00 WAT1 ATOM 2342 H1 TIP3 162 -40.337 9.388 -18.318 0.00 0.00 WAT1 ATOM 2343 H2 TIP3 162 -41.534 9.905 -19.087 0.00 0.00 WAT1 ATOM 2344 OH2 TIP3 163 -30.634 8.149 -9.117 0.00 0.00 WAT1 ATOM 2345 H1 TIP3 163 -30.656 8.334 -8.178 0.00 0.00 WAT1 ATOM 2346 H2 TIP3 163 -29.944 8.718 -9.458 0.00 0.00 WAT1 ATOM 2347 OH2 TIP3 164 -31.071 7.716 -6.195 0.00 0.00 WAT1 ATOM 2348 H1 TIP3 164 -31.558 6.981 -6.566 0.00 0.00 WAT1 ATOM 2349 H2 TIP3 164 -30.522 7.323 -5.517 0.00 0.00 WAT1 ATOM 2350 OH2 TIP3 165 -32.679 5.479 -6.964 0.00 0.00 WAT1 ATOM 2351 H1 TIP3 165 -33.327 5.804 -6.339 0.00 0.00 WAT1 ATOM 2352 H2 TIP3 165 -33.197 5.039 -7.639 0.00 0.00 WAT1 ATOM 2353 OH2 TIP3 166 -32.282 0.307 -4.017 0.00 0.00 WAT1 ATOM 2354 H1 TIP3 166 -31.699 -0.427 -3.826 0.00 0.00 WAT1 ATOM 2355 H2 TIP3 166 -31.718 1.079 -3.971 0.00 0.00 WAT1 ATOM 2356 OH2 TIP3 167 -30.785 -1.790 -3.333 0.00 0.00 WAT1 ATOM 2357 H1 TIP3 167 -31.648 -2.169 -3.498 0.00 0.00 WAT1 ATOM 2358 H2 TIP3 167 -30.181 -2.529 -3.407 0.00 0.00 WAT1 ATOM 2359 OH2 TIP3 168 -30.504 -8.782 -1.628 0.00 0.00 WAT1 ATOM 2360 H1 TIP3 168 -30.154 -9.436 -2.234 0.00 0.00 WAT1 ATOM 2361 H2 TIP3 168 -30.357 -7.945 -2.068 0.00 0.00 WAT1 ATOM 2362 OH2 TIP3 169 -30.984 -6.673 -3.279 0.00 0.00 WAT1 ATOM 2363 H1 TIP3 169 -31.901 -6.402 -3.315 0.00 0.00 WAT1 ATOM 2364 H2 TIP3 169 -30.861 -7.208 -4.063 0.00 0.00 WAT1 ATOM 2365 OH2 TIP3 170 -33.896 8.239 -13.545 0.00 0.00 WAT1 ATOM 2366 H1 TIP3 170 -33.243 7.892 -14.153 0.00 0.00 WAT1 ATOM 2367 H2 TIP3 170 -33.385 8.728 -12.899 0.00 0.00 WAT1 ATOM 2368 OH2 TIP3 171 -31.983 -8.583 -5.460 0.00 0.00 WAT1 ATOM 2369 H1 TIP3 171 -32.796 -8.258 -5.848 0.00 0.00 WAT1 ATOM 2370 H2 TIP3 171 -31.750 -9.343 -5.993 0.00 0.00 WAT1 ATOM 2371 OH2 TIP3 172 -38.553 -7.134 -11.137 0.00 0.00 WAT1 ATOM 2372 H1 TIP3 172 -39.228 -7.763 -10.882 0.00 0.00 WAT1 ATOM 2373 H2 TIP3 172 -37.989 -7.618 -11.740 0.00 0.00 WAT1 ATOM 2374 OH2 TIP3 173 -33.411 -9.027 -11.025 0.00 0.00 WAT1 ATOM 2375 H1 TIP3 173 -32.807 -8.479 -11.526 0.00 0.00 WAT1 ATOM 2376 H2 TIP3 173 -34.280 -8.707 -11.265 0.00 0.00 WAT1 ATOM 2377 OH2 TIP3 174 -36.090 -8.543 -11.853 0.00 0.00 WAT1 ATOM 2378 H1 TIP3 174 -36.014 -8.448 -12.802 0.00 0.00 WAT1 ATOM 2379 H2 TIP3 174 -36.366 -9.451 -11.724 0.00 0.00 WAT1 ATOM 2380 OH2 TIP3 175 -34.737 -8.517 -16.160 0.00 0.00 WAT1 ATOM 2381 H1 TIP3 175 -35.440 -7.903 -16.370 0.00 0.00 WAT1 ATOM 2382 H2 TIP3 175 -35.182 -9.355 -16.029 0.00 0.00 WAT1 ATOM 2383 OH2 TIP3 176 -40.503 -6.493 -16.612 0.00 0.00 WAT1 ATOM 2384 H1 TIP3 176 -40.325 -7.139 -15.929 0.00 0.00 WAT1 ATOM 2385 H2 TIP3 176 -40.557 -5.659 -16.145 0.00 0.00 WAT1 ATOM 2386 OH2 TIP3 177 -31.778 0.894 -1.162 0.00 0.00 WAT1 ATOM 2387 H1 TIP3 177 -32.051 0.469 -1.975 0.00 0.00 WAT1 ATOM 2388 H2 TIP3 177 -31.738 1.825 -1.379 0.00 0.00 WAT1 ATOM 2389 OH2 TIP3 178 -36.200 16.024 -39.239 0.00 0.00 WAT1 ATOM 2390 H1 TIP3 178 -36.008 15.093 -39.350 0.00 0.00 WAT1 ATOM 2391 H2 TIP3 178 -35.343 16.449 -39.249 0.00 0.00 WAT1 ATOM 2392 OH2 TIP3 179 -35.778 12.309 -39.431 0.00 0.00 WAT1 ATOM 2393 H1 TIP3 179 -35.875 11.357 -39.437 0.00 0.00 WAT1 ATOM 2394 H2 TIP3 179 -36.100 12.578 -38.570 0.00 0.00 WAT1 ATOM 2395 OH2 TIP3 180 -30.504 10.074 -39.340 0.00 0.00 WAT1 ATOM 2396 H1 TIP3 180 -30.154 9.420 -39.946 0.00 0.00 WAT1 ATOM 2397 H2 TIP3 180 -30.357 10.911 -39.780 0.00 0.00 WAT1 ATOM 2398 OH2 TIP3 181 -30.984 12.183 -40.991 0.00 0.00 WAT1 ATOM 2399 H1 TIP3 181 -31.901 12.454 -41.027 0.00 0.00 WAT1 ATOM 2400 H2 TIP3 181 -30.861 11.648 -41.775 0.00 0.00 WAT1 ATOM 2401 OH2 TIP3 182 -34.509 21.706 -30.492 0.00 0.00 WAT1 ATOM 2402 H1 TIP3 182 -34.950 20.986 -30.042 0.00 0.00 WAT1 ATOM 2403 H2 TIP3 182 -34.522 22.427 -29.862 0.00 0.00 WAT1 ATOM 2404 OH2 TIP3 183 -39.826 21.200 -28.388 0.00 0.00 WAT1 ATOM 2405 H1 TIP3 183 -39.522 20.514 -28.982 0.00 0.00 WAT1 ATOM 2406 H2 TIP3 183 -39.104 21.318 -27.770 0.00 0.00 WAT1 ATOM 2407 OH2 TIP3 184 -43.530 13.695 -30.788 0.00 0.00 WAT1 ATOM 2408 H1 TIP3 184 -43.487 14.555 -31.206 0.00 0.00 WAT1 ATOM 2409 H2 TIP3 184 -43.988 13.143 -31.421 0.00 0.00 WAT1 ATOM 2410 OH2 TIP3 185 -41.754 17.642 -30.810 0.00 0.00 WAT1 ATOM 2411 H1 TIP3 185 -41.138 17.116 -30.301 0.00 0.00 WAT1 ATOM 2412 H2 TIP3 185 -42.340 17.002 -31.214 0.00 0.00 WAT1 ATOM 2413 OH2 TIP3 186 -37.351 22.113 -33.170 0.00 0.00 WAT1 ATOM 2414 H1 TIP3 186 -37.647 21.791 -34.021 0.00 0.00 WAT1 ATOM 2415 H2 TIP3 186 -37.675 23.013 -33.128 0.00 0.00 WAT1 ATOM 2416 OH2 TIP3 187 -42.151 20.289 -26.426 0.00 0.00 WAT1 ATOM 2417 H1 TIP3 187 -42.891 20.887 -26.323 0.00 0.00 WAT1 ATOM 2418 H2 TIP3 187 -41.437 20.843 -26.742 0.00 0.00 WAT1 ATOM 2419 OH2 TIP3 188 -33.997 23.546 -28.144 0.00 0.00 WAT1 ATOM 2420 H1 TIP3 188 -34.939 23.604 -27.983 0.00 0.00 WAT1 ATOM 2421 H2 TIP3 188 -33.721 24.452 -28.281 0.00 0.00 WAT1 ATOM 2422 OH2 TIP3 189 -40.694 9.919 -29.261 0.00 0.00 WAT1 ATOM 2423 H1 TIP3 189 -40.811 8.970 -29.315 0.00 0.00 WAT1 ATOM 2424 H2 TIP3 189 -41.549 10.251 -28.988 0.00 0.00 WAT1 ATOM 2425 OH2 TIP3 190 -34.586 23.228 -33.010 0.00 0.00 WAT1 ATOM 2426 H1 TIP3 190 -34.843 22.538 -33.622 0.00 0.00 WAT1 ATOM 2427 H2 TIP3 190 -34.515 22.785 -32.165 0.00 0.00 WAT1 ATOM 2428 OH2 TIP3 191 -38.427 18.756 -34.761 0.00 0.00 WAT1 ATOM 2429 H1 TIP3 191 -39.139 19.291 -35.112 0.00 0.00 WAT1 ATOM 2430 H2 TIP3 191 -37.736 18.812 -35.421 0.00 0.00 WAT1 ATOM 2431 OH2 TIP3 192 -38.373 17.214 -37.722 0.00 0.00 WAT1 ATOM 2432 H1 TIP3 192 -37.672 17.236 -37.071 0.00 0.00 WAT1 ATOM 2433 H2 TIP3 192 -38.071 16.586 -38.378 0.00 0.00 WAT1 ATOM 2434 OH2 TIP3 193 -35.021 18.966 -33.809 0.00 0.00 WAT1 ATOM 2435 H1 TIP3 193 -35.753 19.194 -33.236 0.00 0.00 WAT1 ATOM 2436 H2 TIP3 193 -34.574 18.252 -33.354 0.00 0.00 WAT1 ATOM 2437 OH2 TIP3 194 -43.376 19.596 -31.926 0.00 0.00 WAT1 ATOM 2438 H1 TIP3 194 -43.706 19.226 -32.745 0.00 0.00 WAT1 ATOM 2439 H2 TIP3 194 -42.788 18.926 -31.580 0.00 0.00 WAT1 ATOM 2440 OH2 TIP3 195 -42.009 23.024 -29.245 0.00 0.00 WAT1 ATOM 2441 H1 TIP3 195 -42.104 22.446 -30.002 0.00 0.00 WAT1 ATOM 2442 H2 TIP3 195 -41.280 22.653 -28.749 0.00 0.00 WAT1 ATOM 2443 OH2 TIP3 196 -43.009 18.365 -28.293 0.00 0.00 WAT1 ATOM 2444 H1 TIP3 196 -42.444 18.486 -29.056 0.00 0.00 WAT1 ATOM 2445 H2 TIP3 196 -42.690 19.002 -27.654 0.00 0.00 WAT1 ATOM 2446 OH2 TIP3 197 -36.700 23.868 -27.559 0.00 0.00 WAT1 ATOM 2447 H1 TIP3 197 -36.941 24.530 -26.911 0.00 0.00 WAT1 ATOM 2448 H2 TIP3 197 -36.898 23.034 -27.134 0.00 0.00 WAT1 ATOM 2449 OH2 TIP3 198 -42.129 22.764 -23.576 0.00 0.00 WAT1 ATOM 2450 H1 TIP3 198 -42.441 23.546 -23.120 0.00 0.00 WAT1 ATOM 2451 H2 TIP3 198 -42.779 22.611 -24.262 0.00 0.00 WAT1 ATOM 2452 OH2 TIP3 199 -36.150 18.128 -36.124 0.00 0.00 WAT1 ATOM 2453 H1 TIP3 199 -35.571 18.278 -35.377 0.00 0.00 WAT1 ATOM 2454 H2 TIP3 199 -35.736 18.599 -36.847 0.00 0.00 WAT1 ATOM 2455 OH2 TIP3 200 -32.452 9.878 -36.311 0.00 0.00 WAT1 ATOM 2456 H1 TIP3 200 -33.351 10.017 -36.016 0.00 0.00 WAT1 ATOM 2457 H2 TIP3 200 -32.200 10.709 -36.713 0.00 0.00 WAT1 ATOM 2458 OH2 TIP3 201 -30.345 24.475 -22.956 0.00 0.00 WAT1 ATOM 2459 H1 TIP3 201 -30.394 23.520 -22.993 0.00 0.00 WAT1 ATOM 2460 H2 TIP3 201 -31.171 24.743 -22.554 0.00 0.00 WAT1 ATOM 2461 OH2 TIP3 202 -39.366 24.049 -24.080 0.00 0.00 WAT1 ATOM 2462 H1 TIP3 202 -39.279 24.875 -23.605 0.00 0.00 WAT1 ATOM 2463 H2 TIP3 202 -40.230 23.719 -23.831 0.00 0.00 WAT1 ATOM 2464 OH2 TIP3 203 -43.425 10.822 -28.483 0.00 0.00 WAT1 ATOM 2465 H1 TIP3 203 -44.286 10.735 -28.891 0.00 0.00 WAT1 ATOM 2466 H2 TIP3 203 -43.447 11.678 -28.056 0.00 0.00 WAT1 ATOM 2467 OH2 TIP3 204 -34.673 19.161 -38.494 0.00 0.00 WAT1 ATOM 2468 H1 TIP3 204 -34.631 18.938 -39.424 0.00 0.00 WAT1 ATOM 2469 H2 TIP3 204 -33.824 19.559 -38.304 0.00 0.00 WAT1 ATOM 2470 OH2 TIP3 205 -39.100 13.037 -37.824 0.00 0.00 WAT1 ATOM 2471 H1 TIP3 205 -39.354 13.056 -36.901 0.00 0.00 WAT1 ATOM 2472 H2 TIP3 205 -39.357 12.165 -38.125 0.00 0.00 WAT1 ATOM 2473 OH2 TIP3 206 -43.334 15.788 -27.388 0.00 0.00 WAT1 ATOM 2474 H1 TIP3 206 -43.976 15.747 -26.679 0.00 0.00 WAT1 ATOM 2475 H2 TIP3 206 -43.297 16.714 -27.626 0.00 0.00 WAT1 ATOM 2476 OH2 TIP3 207 -43.337 16.009 -32.476 0.00 0.00 WAT1 ATOM 2477 H1 TIP3 207 -44.230 15.668 -32.535 0.00 0.00 WAT1 ATOM 2478 H2 TIP3 207 -42.886 15.632 -33.232 0.00 0.00 WAT1 ATOM 2479 OH2 TIP3 208 -37.801 16.425 -33.659 0.00 0.00 WAT1 ATOM 2480 H1 TIP3 208 -38.210 17.240 -33.951 0.00 0.00 WAT1 ATOM 2481 H2 TIP3 208 -37.081 16.285 -34.274 0.00 0.00 WAT1 ATOM 2482 OH2 TIP3 209 -40.755 13.436 -31.390 0.00 0.00 WAT1 ATOM 2483 H1 TIP3 209 -41.666 13.493 -31.101 0.00 0.00 WAT1 ATOM 2484 H2 TIP3 209 -40.250 13.376 -30.579 0.00 0.00 WAT1 ATOM 2485 OH2 TIP3 210 -42.274 15.065 -34.907 0.00 0.00 WAT1 ATOM 2486 H1 TIP3 210 -41.342 15.194 -34.729 0.00 0.00 WAT1 ATOM 2487 H2 TIP3 210 -42.489 15.735 -35.556 0.00 0.00 WAT1 ATOM 2488 OH2 TIP3 211 -40.809 14.612 -27.089 0.00 0.00 WAT1 ATOM 2489 H1 TIP3 211 -41.644 15.066 -26.979 0.00 0.00 WAT1 ATOM 2490 H2 TIP3 211 -40.285 14.888 -26.337 0.00 0.00 WAT1 ATOM 2491 OH2 TIP3 212 -40.265 20.825 -35.404 0.00 0.00 WAT1 ATOM 2492 H1 TIP3 212 -41.009 20.318 -35.727 0.00 0.00 WAT1 ATOM 2493 H2 TIP3 212 -40.399 20.874 -34.458 0.00 0.00 WAT1 ATOM 2494 OH2 TIP3 213 -36.367 13.639 -37.205 0.00 0.00 WAT1 ATOM 2495 H1 TIP3 213 -37.305 13.751 -37.356 0.00 0.00 WAT1 ATOM 2496 H2 TIP3 213 -36.070 14.496 -36.899 0.00 0.00 WAT1 ATOM 2497 OH2 TIP3 214 -38.745 21.009 -24.167 0.00 0.00 WAT1 ATOM 2498 H1 TIP3 214 -39.091 20.628 -23.361 0.00 0.00 WAT1 ATOM 2499 H2 TIP3 214 -38.945 21.943 -24.096 0.00 0.00 WAT1 ATOM 2500 OH2 TIP3 215 -35.649 15.506 -35.544 0.00 0.00 WAT1 ATOM 2501 H1 TIP3 215 -34.757 15.369 -35.225 0.00 0.00 WAT1 ATOM 2502 H2 TIP3 215 -35.592 16.297 -36.081 0.00 0.00 WAT1 ATOM 2503 OH2 TIP3 216 -41.115 18.098 -22.107 0.00 0.00 WAT1 ATOM 2504 H1 TIP3 216 -41.411 17.932 -23.002 0.00 0.00 WAT1 ATOM 2505 H2 TIP3 216 -40.184 17.878 -22.117 0.00 0.00 WAT1 ATOM 2506 OH2 TIP3 217 -36.495 23.471 -24.217 0.00 0.00 WAT1 ATOM 2507 H1 TIP3 217 -37.396 23.654 -24.485 0.00 0.00 WAT1 ATOM 2508 H2 TIP3 217 -36.461 23.730 -23.296 0.00 0.00 WAT1 ATOM 2509 OH2 TIP3 218 -41.338 21.301 -32.654 0.00 0.00 WAT1 ATOM 2510 H1 TIP3 218 -41.579 22.226 -32.612 0.00 0.00 WAT1 ATOM 2511 H2 TIP3 218 -42.078 20.842 -32.258 0.00 0.00 WAT1 ATOM 2512 OH2 TIP3 219 -37.279 21.549 -26.638 0.00 0.00 WAT1 ATOM 2513 H1 TIP3 219 -37.705 21.322 -25.812 0.00 0.00 WAT1 ATOM 2514 H2 TIP3 219 -36.698 20.811 -26.821 0.00 0.00 WAT1 ATOM 2515 OH2 TIP3 220 -34.620 26.101 -24.169 0.00 0.00 WAT1 ATOM 2516 H1 TIP3 220 -35.222 25.546 -24.664 0.00 0.00 WAT1 ATOM 2517 H2 TIP3 220 -34.339 26.768 -24.795 0.00 0.00 WAT1 ATOM 2518 OH2 TIP3 221 -34.210 21.151 -35.338 0.00 0.00 WAT1 ATOM 2519 H1 TIP3 221 -34.487 20.423 -34.782 0.00 0.00 WAT1 ATOM 2520 H2 TIP3 221 -33.283 21.270 -35.132 0.00 0.00 WAT1 ATOM 2521 OH2 TIP3 222 -39.779 14.455 -33.940 0.00 0.00 WAT1 ATOM 2522 H1 TIP3 222 -38.967 14.959 -33.894 0.00 0.00 WAT1 ATOM 2523 H2 TIP3 222 -40.024 14.310 -33.026 0.00 0.00 WAT1 ATOM 2524 OH2 TIP3 223 -38.895 11.536 -33.002 0.00 0.00 WAT1 ATOM 2525 H1 TIP3 223 -39.242 12.154 -32.357 0.00 0.00 WAT1 ATOM 2526 H2 TIP3 223 -38.237 12.037 -33.483 0.00 0.00 WAT1 ATOM 2527 OH2 TIP3 224 -33.350 26.355 -28.202 0.00 0.00 WAT1 ATOM 2528 H1 TIP3 224 -33.506 27.033 -28.859 0.00 0.00 WAT1 ATOM 2529 H2 TIP3 224 -32.418 26.427 -27.999 0.00 0.00 WAT1 ATOM 2530 OH2 TIP3 225 -36.462 24.325 -21.625 0.00 0.00 WAT1 ATOM 2531 H1 TIP3 225 -36.813 23.469 -21.382 0.00 0.00 WAT1 ATOM 2532 H2 TIP3 225 -35.736 24.468 -21.018 0.00 0.00 WAT1 ATOM 2533 OH2 TIP3 226 -41.074 20.806 -21.587 0.00 0.00 WAT1 ATOM 2534 H1 TIP3 226 -41.402 21.077 -22.445 0.00 0.00 WAT1 ATOM 2535 H2 TIP3 226 -40.922 19.865 -21.675 0.00 0.00 WAT1 ATOM 2536 OH2 TIP3 227 -42.950 17.045 -24.226 0.00 0.00 WAT1 ATOM 2537 H1 TIP3 227 -43.568 17.720 -23.945 0.00 0.00 WAT1 ATOM 2538 H2 TIP3 227 -42.606 17.366 -25.059 0.00 0.00 WAT1 ATOM 2539 OH2 TIP3 228 -31.778 19.750 -38.874 0.00 0.00 WAT1 ATOM 2540 H1 TIP3 228 -32.051 19.325 -39.687 0.00 0.00 WAT1 ATOM 2541 H2 TIP3 228 -31.738 20.681 -39.091 0.00 0.00 WAT1 ATOM 2542 OH2 TIP3 229 -42.610 14.400 -23.143 0.00 0.00 WAT1 ATOM 2543 H1 TIP3 229 -42.460 13.671 -23.746 0.00 0.00 WAT1 ATOM 2544 H2 TIP3 229 -42.608 15.177 -23.702 0.00 0.00 WAT1 ATOM 2545 OH2 TIP3 230 -42.198 12.770 -25.651 0.00 0.00 WAT1 ATOM 2546 H1 TIP3 230 -41.662 13.221 -26.303 0.00 0.00 WAT1 ATOM 2547 H2 TIP3 230 -43.050 12.662 -26.073 0.00 0.00 WAT1 ATOM 2548 OH2 TIP3 231 -40.616 18.209 -25.411 0.00 0.00 WAT1 ATOM 2549 H1 TIP3 231 -39.865 18.053 -25.984 0.00 0.00 WAT1 ATOM 2550 H2 TIP3 231 -40.955 19.061 -25.687 0.00 0.00 WAT1 ATOM 2551 OH2 TIP3 232 -44.132 15.598 -21.232 0.00 0.00 WAT1 ATOM 2552 H1 TIP3 232 -44.899 15.066 -21.442 0.00 0.00 WAT1 ATOM 2553 H2 TIP3 232 -43.453 15.288 -21.831 0.00 0.00 WAT1 ATOM 2554 OH2 TIP3 233 -41.392 10.226 -25.219 0.00 0.00 WAT1 ATOM 2555 H1 TIP3 233 -41.490 11.173 -25.325 0.00 0.00 WAT1 ATOM 2556 H2 TIP3 233 -42.135 9.854 -25.695 0.00 0.00 WAT1 ATOM 2557 OH2 TIP3 234 -41.170 9.520 -22.548 0.00 0.00 WAT1 ATOM 2558 H1 TIP3 234 -40.458 8.880 -22.562 0.00 0.00 WAT1 ATOM 2559 H2 TIP3 234 -41.271 9.787 -23.462 0.00 0.00 WAT1 ATOM 2560 OH2 TIP3 235 -40.817 11.203 -20.494 0.00 0.00 WAT1 ATOM 2561 H1 TIP3 235 -40.948 10.727 -21.315 0.00 0.00 WAT1 ATOM 2562 H2 TIP3 235 -41.416 11.947 -20.550 0.00 0.00 WAT1 ATOM 2563 OH2 TIP3 236 -30.634 27.005 -27.973 0.00 0.00 WAT1 ATOM 2564 H1 TIP3 236 -30.656 27.190 -27.034 0.00 0.00 WAT1 ATOM 2565 H2 TIP3 236 -29.944 27.574 -28.314 0.00 0.00 WAT1 ATOM 2566 OH2 TIP3 237 -31.071 26.572 -25.051 0.00 0.00 WAT1 ATOM 2567 H1 TIP3 237 -31.558 25.837 -25.422 0.00 0.00 WAT1 ATOM 2568 H2 TIP3 237 -30.522 26.179 -24.373 0.00 0.00 WAT1 ATOM 2569 OH2 TIP3 238 -31.319 20.619 -34.899 0.00 0.00 WAT1 ATOM 2570 H1 TIP3 238 -30.469 21.040 -34.771 0.00 0.00 WAT1 ATOM 2571 H2 TIP3 238 -31.314 19.879 -34.291 0.00 0.00 WAT1 ATOM 2572 OH2 TIP3 239 -31.166 21.457 -28.127 0.00 0.00 WAT1 ATOM 2573 H1 TIP3 239 -30.332 21.079 -28.408 0.00 0.00 WAT1 ATOM 2574 H2 TIP3 239 -31.054 22.400 -28.246 0.00 0.00 WAT1 ATOM 2575 OH2 TIP3 240 -32.679 24.335 -25.820 0.00 0.00 WAT1 ATOM 2576 H1 TIP3 240 -33.327 24.660 -25.195 0.00 0.00 WAT1 ATOM 2577 H2 TIP3 240 -33.197 23.895 -26.495 0.00 0.00 WAT1 ATOM 2578 OH2 TIP3 241 -30.657 18.573 -36.684 0.00 0.00 WAT1 ATOM 2579 H1 TIP3 241 -31.178 18.930 -37.403 0.00 0.00 WAT1 ATOM 2580 H2 TIP3 241 -30.690 19.248 -36.006 0.00 0.00 WAT1 ATOM 2581 OH2 TIP3 242 -32.308 15.813 -38.133 0.00 0.00 WAT1 ATOM 2582 H1 TIP3 242 -32.211 16.480 -38.813 0.00 0.00 WAT1 ATOM 2583 H2 TIP3 242 -32.448 14.997 -38.615 0.00 0.00 WAT1 ATOM 2584 OH2 TIP3 243 -33.060 13.221 -39.016 0.00 0.00 WAT1 ATOM 2585 H1 TIP3 243 -32.450 12.849 -38.379 0.00 0.00 WAT1 ATOM 2586 H2 TIP3 243 -33.897 12.799 -38.820 0.00 0.00 WAT1 ATOM 2587 OH2 TIP3 244 -30.948 12.106 -37.473 0.00 0.00 WAT1 ATOM 2588 H1 TIP3 244 -30.535 11.385 -37.949 0.00 0.00 WAT1 ATOM 2589 H2 TIP3 244 -30.266 12.776 -37.415 0.00 0.00 WAT1 ATOM 2590 OH2 TIP3 245 -38.553 11.722 -29.993 0.00 0.00 WAT1 ATOM 2591 H1 TIP3 245 -39.228 11.093 -29.738 0.00 0.00 WAT1 ATOM 2592 H2 TIP3 245 -37.989 11.238 -30.596 0.00 0.00 WAT1 ATOM 2593 OH2 TIP3 246 -41.647 10.283 -32.358 0.00 0.00 WAT1 ATOM 2594 H1 TIP3 246 -40.773 10.671 -32.388 0.00 0.00 WAT1 ATOM 2595 H2 TIP3 246 -41.783 10.068 -31.435 0.00 0.00 WAT1 ATOM 2596 OH2 TIP3 247 -34.737 10.339 -35.016 0.00 0.00 WAT1 ATOM 2597 H1 TIP3 247 -35.440 10.953 -35.226 0.00 0.00 WAT1 ATOM 2598 H2 TIP3 247 -35.182 9.501 -34.885 0.00 0.00 WAT1 ATOM 2599 OH2 TIP3 248 -40.503 12.363 -35.468 0.00 0.00 WAT1 ATOM 2600 H1 TIP3 248 -40.325 11.717 -34.785 0.00 0.00 WAT1 ATOM 2601 H2 TIP3 248 -40.557 13.197 -35.001 0.00 0.00 WAT1 ATOM 2602 OH2 TIP3 249 -32.698 25.626 -22.243 0.00 0.00 WAT1 ATOM 2603 H1 TIP3 249 -33.480 25.440 -22.763 0.00 0.00 WAT1 ATOM 2604 H2 TIP3 249 -32.770 26.555 -22.026 0.00 0.00 WAT1 ATOM 2605 OH2 TIP3 250 -37.148 19.512 -13.357 0.00 0.00 WAT1 ATOM 2606 H1 TIP3 250 -37.059 20.456 -13.489 0.00 0.00 WAT1 ATOM 2607 H2 TIP3 250 -37.787 19.237 -14.015 0.00 0.00 WAT1 ATOM 2608 OH2 TIP3 251 -31.163 12.801 -8.671 0.00 0.00 WAT1 ATOM 2609 H1 TIP3 251 -31.114 13.411 -7.935 0.00 0.00 WAT1 ATOM 2610 H2 TIP3 251 -30.737 13.262 -9.394 0.00 0.00 WAT1 ATOM 2611 OH2 TIP3 252 -35.808 13.826 -13.531 0.00 0.00 WAT1 ATOM 2612 H1 TIP3 252 -35.162 13.497 -12.906 0.00 0.00 WAT1 ATOM 2613 H2 TIP3 252 -35.298 14.344 -14.154 0.00 0.00 WAT1 ATOM 2614 OH2 TIP3 253 -34.044 13.117 -11.550 0.00 0.00 WAT1 ATOM 2615 H1 TIP3 253 -34.259 12.351 -11.018 0.00 0.00 WAT1 ATOM 2616 H2 TIP3 253 -33.388 13.589 -11.037 0.00 0.00 WAT1 ATOM 2617 OH2 TIP3 254 -33.697 11.832 -7.871 0.00 0.00 WAT1 ATOM 2618 H1 TIP3 254 -34.433 12.443 -7.909 0.00 0.00 WAT1 ATOM 2619 H2 TIP3 254 -33.013 12.247 -8.397 0.00 0.00 WAT1 ATOM 2620 OH2 TIP3 255 -38.427 18.756 -15.905 0.00 0.00 WAT1 ATOM 2621 H1 TIP3 255 -39.139 19.291 -16.256 0.00 0.00 WAT1 ATOM 2622 H2 TIP3 255 -37.736 18.812 -16.565 0.00 0.00 WAT1 ATOM 2623 OH2 TIP3 256 -35.021 18.966 -14.953 0.00 0.00 WAT1 ATOM 2624 H1 TIP3 256 -35.753 19.194 -14.380 0.00 0.00 WAT1 ATOM 2625 H2 TIP3 256 -34.574 18.252 -14.498 0.00 0.00 WAT1 ATOM 2626 OH2 TIP3 257 -31.262 24.244 -19.078 0.00 0.00 WAT1 ATOM 2627 H1 TIP3 257 -31.189 25.183 -18.908 0.00 0.00 WAT1 ATOM 2628 H2 TIP3 257 -30.357 23.939 -19.135 0.00 0.00 WAT1 ATOM 2629 OH2 TIP3 258 -39.100 13.037 -18.968 0.00 0.00 WAT1 ATOM 2630 H1 TIP3 258 -39.354 13.056 -18.045 0.00 0.00 WAT1 ATOM 2631 H2 TIP3 258 -39.357 12.165 -19.269 0.00 0.00 WAT1 ATOM 2632 OH2 TIP3 259 -37.801 16.425 -14.803 0.00 0.00 WAT1 ATOM 2633 H1 TIP3 259 -38.210 17.240 -15.095 0.00 0.00 WAT1 ATOM 2634 H2 TIP3 259 -37.081 16.285 -15.418 0.00 0.00 WAT1 ATOM 2635 OH2 TIP3 260 -42.218 13.482 -19.867 0.00 0.00 WAT1 ATOM 2636 H1 TIP3 260 -42.649 13.037 -19.137 0.00 0.00 WAT1 ATOM 2637 H2 TIP3 260 -42.936 13.854 -20.379 0.00 0.00 WAT1 ATOM 2638 OH2 TIP3 261 -42.274 15.065 -16.051 0.00 0.00 WAT1 ATOM 2639 H1 TIP3 261 -41.342 15.194 -15.873 0.00 0.00 WAT1 ATOM 2640 H2 TIP3 261 -42.489 15.735 -16.700 0.00 0.00 WAT1 ATOM 2641 OH2 TIP3 262 -43.600 16.260 -18.484 0.00 0.00 WAT1 ATOM 2642 H1 TIP3 262 -44.142 15.880 -19.175 0.00 0.00 WAT1 ATOM 2643 H2 TIP3 262 -42.766 16.454 -18.913 0.00 0.00 WAT1 ATOM 2644 OH2 TIP3 263 -40.265 20.825 -16.548 0.00 0.00 WAT1 ATOM 2645 H1 TIP3 263 -41.009 20.318 -16.871 0.00 0.00 WAT1 ATOM 2646 H2 TIP3 263 -40.399 20.874 -15.602 0.00 0.00 WAT1 ATOM 2647 OH2 TIP3 264 -38.139 22.284 -17.523 0.00 0.00 WAT1 ATOM 2648 H1 TIP3 264 -38.434 23.110 -17.141 0.00 0.00 WAT1 ATOM 2649 H2 TIP3 264 -38.842 21.664 -17.327 0.00 0.00 WAT1 ATOM 2650 OH2 TIP3 265 -32.468 24.502 -16.529 0.00 0.00 WAT1 ATOM 2651 H1 TIP3 265 -32.841 23.676 -16.219 0.00 0.00 WAT1 ATOM 2652 H2 TIP3 265 -32.191 24.319 -17.426 0.00 0.00 WAT1 ATOM 2653 OH2 TIP3 266 -35.076 22.478 -18.708 0.00 0.00 WAT1 ATOM 2654 H1 TIP3 266 -34.723 22.098 -17.904 0.00 0.00 WAT1 ATOM 2655 H2 TIP3 266 -36.025 22.385 -18.622 0.00 0.00 WAT1 ATOM 2656 OH2 TIP3 267 -30.572 26.958 -18.507 0.00 0.00 WAT1 ATOM 2657 H1 TIP3 267 -29.829 27.544 -18.647 0.00 0.00 WAT1 ATOM 2658 H2 TIP3 267 -31.267 27.526 -18.174 0.00 0.00 WAT1 ATOM 2659 OH2 TIP3 268 -34.210 21.151 -16.482 0.00 0.00 WAT1 ATOM 2660 H1 TIP3 268 -34.487 20.423 -15.926 0.00 0.00 WAT1 ATOM 2661 H2 TIP3 268 -33.283 21.270 -16.276 0.00 0.00 WAT1 ATOM 2662 OH2 TIP3 269 -36.979 12.727 -15.919 0.00 0.00 WAT1 ATOM 2663 H1 TIP3 269 -36.759 13.199 -16.722 0.00 0.00 WAT1 ATOM 2664 H2 TIP3 269 -36.421 13.122 -15.248 0.00 0.00 WAT1 ATOM 2665 OH2 TIP3 270 -39.779 14.455 -15.084 0.00 0.00 WAT1 ATOM 2666 H1 TIP3 270 -38.967 14.959 -15.038 0.00 0.00 WAT1 ATOM 2667 H2 TIP3 270 -40.024 14.310 -14.170 0.00 0.00 WAT1 ATOM 2668 OH2 TIP3 271 -38.895 11.536 -14.146 0.00 0.00 WAT1 ATOM 2669 H1 TIP3 271 -39.242 12.154 -13.501 0.00 0.00 WAT1 ATOM 2670 H2 TIP3 271 -38.237 12.037 -14.627 0.00 0.00 WAT1 ATOM 2671 OH2 TIP3 272 -34.343 25.270 -19.889 0.00 0.00 WAT1 ATOM 2672 H1 TIP3 272 -34.060 24.476 -19.436 0.00 0.00 WAT1 ATOM 2673 H2 TIP3 272 -33.603 25.503 -20.450 0.00 0.00 WAT1 ATOM 2674 OH2 TIP3 273 -38.036 22.227 -20.296 0.00 0.00 WAT1 ATOM 2675 H1 TIP3 273 -38.304 22.407 -19.395 0.00 0.00 WAT1 ATOM 2676 H2 TIP3 273 -38.242 21.301 -20.427 0.00 0.00 WAT1 ATOM 2677 OH2 TIP3 274 -42.239 19.152 -17.726 0.00 0.00 WAT1 ATOM 2678 H1 TIP3 274 -42.698 18.668 -17.040 0.00 0.00 WAT1 ATOM 2679 H2 TIP3 274 -41.984 18.484 -18.362 0.00 0.00 WAT1 ATOM 2680 OH2 TIP3 275 -41.168 17.395 -19.463 0.00 0.00 WAT1 ATOM 2681 H1 TIP3 275 -41.348 17.241 -20.391 0.00 0.00 WAT1 ATOM 2682 H2 TIP3 275 -40.217 17.503 -19.419 0.00 0.00 WAT1 ATOM 2683 OH2 TIP3 276 -31.319 20.619 -16.043 0.00 0.00 WAT1 ATOM 2684 H1 TIP3 276 -30.469 21.040 -15.915 0.00 0.00 WAT1 ATOM 2685 H2 TIP3 276 -31.314 19.879 -15.435 0.00 0.00 WAT1 ATOM 2686 OH2 TIP3 277 -30.925 18.672 -14.219 0.00 0.00 WAT1 ATOM 2687 H1 TIP3 277 -31.651 18.193 -13.821 0.00 0.00 WAT1 ATOM 2688 H2 TIP3 277 -30.344 18.878 -13.487 0.00 0.00 WAT1 ATOM 2689 OH2 TIP3 278 -33.138 17.193 -13.656 0.00 0.00 WAT1 ATOM 2690 H1 TIP3 278 -33.288 16.248 -13.676 0.00 0.00 WAT1 ATOM 2691 H2 TIP3 278 -33.492 17.474 -12.812 0.00 0.00 WAT1 ATOM 2692 OH2 TIP3 279 -33.428 14.776 -15.194 0.00 0.00 WAT1 ATOM 2693 H1 TIP3 279 -33.148 13.869 -15.069 0.00 0.00 WAT1 ATOM 2694 H2 TIP3 279 -32.669 15.210 -15.583 0.00 0.00 WAT1 ATOM 2695 OH2 TIP3 280 -32.814 12.039 -15.145 0.00 0.00 WAT1 ATOM 2696 H1 TIP3 280 -32.632 11.590 -14.320 0.00 0.00 WAT1 ATOM 2697 H2 TIP3 280 -33.414 11.454 -15.609 0.00 0.00 WAT1 ATOM 2698 OH2 TIP3 281 -33.411 9.829 -11.025 0.00 0.00 WAT1 ATOM 2699 H1 TIP3 281 -32.807 10.377 -11.526 0.00 0.00 WAT1 ATOM 2700 H2 TIP3 281 -34.280 10.149 -11.265 0.00 0.00 WAT1 ATOM 2701 OH2 TIP3 282 -36.090 10.313 -11.853 0.00 0.00 WAT1 ATOM 2702 H1 TIP3 282 -36.014 10.408 -12.802 0.00 0.00 WAT1 ATOM 2703 H2 TIP3 282 -36.366 9.405 -11.724 0.00 0.00 WAT1 ATOM 2704 OH2 TIP3 283 -40.503 12.363 -16.612 0.00 0.00 WAT1 ATOM 2705 H1 TIP3 283 -40.325 11.717 -15.929 0.00 0.00 WAT1 ATOM 2706 H2 TIP3 283 -40.557 13.197 -16.145 0.00 0.00 WAT1 ATOM 2707 OH2 TIP3 284 -18.542 -10.901 -49.136 0.00 0.00 WAT1 ATOM 2708 H1 TIP3 284 -17.922 -11.578 -49.409 0.00 0.00 WAT1 ATOM 2709 H2 TIP3 284 -18.750 -11.119 -48.228 0.00 0.00 WAT1 ATOM 2710 OH2 TIP3 285 -15.141 -14.166 -47.000 0.00 0.00 WAT1 ATOM 2711 H1 TIP3 285 -16.083 -14.108 -46.839 0.00 0.00 WAT1 ATOM 2712 H2 TIP3 285 -14.865 -13.260 -47.137 0.00 0.00 WAT1 ATOM 2713 OH2 TIP3 286 -14.044 -15.918 -43.389 0.00 0.00 WAT1 ATOM 2714 H1 TIP3 286 -13.904 -16.509 -44.128 0.00 0.00 WAT1 ATOM 2715 H2 TIP3 286 -13.876 -15.045 -43.745 0.00 0.00 WAT1 ATOM 2716 OH2 TIP3 287 -12.202 -19.578 -45.323 0.00 0.00 WAT1 ATOM 2717 H1 TIP3 287 -12.854 -18.883 -45.234 0.00 0.00 WAT1 ATOM 2718 H2 TIP3 287 -11.737 -19.368 -46.133 0.00 0.00 WAT1 ATOM 2719 OH2 TIP3 288 -16.268 -20.572 -43.597 0.00 0.00 WAT1 ATOM 2720 H1 TIP3 288 -16.188 -19.809 -43.025 0.00 0.00 WAT1 ATOM 2721 H2 TIP3 288 -16.869 -20.293 -44.288 0.00 0.00 WAT1 ATOM 2722 OH2 TIP3 289 -17.844 -13.844 -46.415 0.00 0.00 WAT1 ATOM 2723 H1 TIP3 289 -18.085 -13.182 -45.767 0.00 0.00 WAT1 ATOM 2724 H2 TIP3 289 -18.042 -14.678 -45.990 0.00 0.00 WAT1 ATOM 2725 OH2 TIP3 290 -23.273 -14.948 -42.432 0.00 0.00 WAT1 ATOM 2726 H1 TIP3 290 -23.585 -14.166 -41.976 0.00 0.00 WAT1 ATOM 2727 H2 TIP3 290 -23.923 -15.101 -43.118 0.00 0.00 WAT1 ATOM 2728 OH2 TIP3 291 -25.034 -12.876 -41.668 0.00 0.00 WAT1 ATOM 2729 H1 TIP3 291 -25.026 -13.012 -42.616 0.00 0.00 WAT1 ATOM 2730 H2 TIP3 291 -25.950 -12.994 -41.416 0.00 0.00 WAT1 ATOM 2731 OH2 TIP3 292 -20.510 -13.663 -42.936 0.00 0.00 WAT1 ATOM 2732 H1 TIP3 292 -20.423 -12.837 -42.461 0.00 0.00 WAT1 ATOM 2733 H2 TIP3 292 -21.374 -13.993 -42.687 0.00 0.00 WAT1 ATOM 2734 OH2 TIP3 293 -14.337 -21.744 -41.332 0.00 0.00 WAT1 ATOM 2735 H1 TIP3 293 -14.744 -21.263 -42.052 0.00 0.00 WAT1 ATOM 2736 H2 TIP3 293 -14.296 -22.649 -41.639 0.00 0.00 WAT1 ATOM 2737 OH2 TIP3 294 -14.259 -17.754 -45.474 0.00 0.00 WAT1 ATOM 2738 H1 TIP3 294 -13.617 -17.297 -46.017 0.00 0.00 WAT1 ATOM 2739 H2 TIP3 294 -15.089 -17.641 -45.936 0.00 0.00 WAT1 ATOM 2740 OH2 TIP3 295 -19.889 -16.703 -43.023 0.00 0.00 WAT1 ATOM 2741 H1 TIP3 295 -20.235 -17.084 -42.217 0.00 0.00 WAT1 ATOM 2742 H2 TIP3 295 -20.089 -15.769 -42.952 0.00 0.00 WAT1 ATOM 2743 OH2 TIP3 296 -17.639 -14.241 -43.073 0.00 0.00 WAT1 ATOM 2744 H1 TIP3 296 -18.540 -14.058 -43.341 0.00 0.00 WAT1 ATOM 2745 H2 TIP3 296 -17.605 -13.982 -42.152 0.00 0.00 WAT1 ATOM 2746 OH2 TIP3 297 -21.967 -12.262 -45.195 0.00 0.00 WAT1 ATOM 2747 H1 TIP3 297 -21.604 -11.407 -45.428 0.00 0.00 WAT1 ATOM 2748 H2 TIP3 297 -21.435 -12.554 -44.454 0.00 0.00 WAT1 ATOM 2749 OH2 TIP3 298 -18.423 -16.163 -45.494 0.00 0.00 WAT1 ATOM 2750 H1 TIP3 298 -18.849 -16.390 -44.668 0.00 0.00 WAT1 ATOM 2751 H2 TIP3 298 -17.842 -16.901 -45.677 0.00 0.00 WAT1 ATOM 2752 OH2 TIP3 299 -15.764 -11.611 -43.025 0.00 0.00 WAT1 ATOM 2753 H1 TIP3 299 -16.366 -12.166 -43.520 0.00 0.00 WAT1 ATOM 2754 H2 TIP3 299 -15.483 -10.944 -43.651 0.00 0.00 WAT1 ATOM 2755 OH2 TIP3 300 -14.494 -11.357 -47.058 0.00 0.00 WAT1 ATOM 2756 H1 TIP3 300 -14.650 -10.679 -47.715 0.00 0.00 WAT1 ATOM 2757 H2 TIP3 300 -13.562 -11.285 -46.855 0.00 0.00 WAT1 ATOM 2758 OH2 TIP3 301 -24.183 -11.767 -39.210 0.00 0.00 WAT1 ATOM 2759 H1 TIP3 301 -23.415 -12.226 -38.869 0.00 0.00 WAT1 ATOM 2760 H2 TIP3 301 -24.204 -11.993 -40.140 0.00 0.00 WAT1 ATOM 2761 OH2 TIP3 302 -22.218 -16.906 -40.443 0.00 0.00 WAT1 ATOM 2762 H1 TIP3 302 -22.546 -16.635 -41.301 0.00 0.00 WAT1 ATOM 2763 H2 TIP3 302 -22.066 -17.847 -40.531 0.00 0.00 WAT1 ATOM 2764 OH2 TIP3 303 -16.483 -16.990 -43.060 0.00 0.00 WAT1 ATOM 2765 H1 TIP3 303 -15.738 -16.402 -43.180 0.00 0.00 WAT1 ATOM 2766 H2 TIP3 303 -17.240 -16.408 -42.997 0.00 0.00 WAT1 ATOM 2767 OH2 TIP3 304 -19.074 -18.196 -39.804 0.00 0.00 WAT1 ATOM 2768 H1 TIP3 304 -18.121 -18.112 -39.832 0.00 0.00 WAT1 ATOM 2769 H2 TIP3 304 -19.234 -18.907 -39.185 0.00 0.00 WAT1 ATOM 2770 OH2 TIP3 305 -17.344 -21.688 -39.239 0.00 0.00 WAT1 ATOM 2771 H1 TIP3 305 -17.152 -22.619 -39.350 0.00 0.00 WAT1 ATOM 2772 H2 TIP3 305 -16.487 -21.263 -39.249 0.00 0.00 WAT1 ATOM 2773 OH2 TIP3 306 -16.028 -18.899 -41.161 0.00 0.00 WAT1 ATOM 2774 H1 TIP3 306 -16.309 -18.190 -41.739 0.00 0.00 WAT1 ATOM 2775 H2 TIP3 306 -15.085 -18.972 -41.312 0.00 0.00 WAT1 ATOM 2776 OH2 TIP3 307 -12.310 -16.255 -46.983 0.00 0.00 WAT1 ATOM 2777 H1 TIP3 307 -11.476 -16.633 -47.264 0.00 0.00 WAT1 ATOM 2778 H2 TIP3 307 -12.198 -15.312 -47.102 0.00 0.00 WAT1 ATOM 2779 OH2 TIP3 308 -13.426 -18.549 -41.729 0.00 0.00 WAT1 ATOM 2780 H1 TIP3 308 -12.843 -19.283 -41.538 0.00 0.00 WAT1 ATOM 2781 H2 TIP3 308 -12.862 -17.777 -41.683 0.00 0.00 WAT1 ATOM 2782 OH2 TIP3 309 -11.929 -20.646 -41.045 0.00 0.00 WAT1 ATOM 2783 H1 TIP3 309 -12.792 -21.025 -41.210 0.00 0.00 WAT1 ATOM 2784 H2 TIP3 309 -11.325 -21.385 -41.119 0.00 0.00 WAT1 ATOM 2785 OH2 TIP3 310 -24.701 -12.713 -44.455 0.00 0.00 WAT1 ATOM 2786 H1 TIP3 310 -25.126 -11.904 -44.738 0.00 0.00 WAT1 ATOM 2787 H2 TIP3 310 -23.796 -12.628 -44.757 0.00 0.00 WAT1 ATOM 2788 OH2 TIP3 311 -27.299 -9.457 -44.408 0.00 0.00 WAT1 ATOM 2789 H1 TIP3 311 -28.019 -9.017 -44.859 0.00 0.00 WAT1 ATOM 2790 H2 TIP3 311 -27.665 -9.708 -43.559 0.00 0.00 WAT1 ATOM 2791 OH2 TIP3 312 -24.832 -9.857 -45.378 0.00 0.00 WAT1 ATOM 2792 H1 TIP3 312 -25.697 -9.785 -44.974 0.00 0.00 WAT1 ATOM 2793 H2 TIP3 312 -24.887 -9.310 -46.162 0.00 0.00 WAT1 ATOM 2794 OH2 TIP3 313 -23.206 -11.654 -47.994 0.00 0.00 WAT1 ATOM 2795 H1 TIP3 313 -22.993 -12.542 -48.281 0.00 0.00 WAT1 ATOM 2796 H2 TIP3 313 -23.141 -11.688 -47.039 0.00 0.00 WAT1 ATOM 2797 OH2 TIP3 314 -18.292 -18.200 -32.213 0.00 0.00 WAT1 ATOM 2798 H1 TIP3 314 -18.203 -17.256 -32.345 0.00 0.00 WAT1 ATOM 2799 H2 TIP3 314 -18.931 -18.475 -32.871 0.00 0.00 WAT1 ATOM 2800 OH2 TIP3 315 -15.653 -16.006 -30.492 0.00 0.00 WAT1 ATOM 2801 H1 TIP3 315 -16.094 -16.726 -30.042 0.00 0.00 WAT1 ATOM 2802 H2 TIP3 315 -15.666 -15.285 -29.862 0.00 0.00 WAT1 ATOM 2803 OH2 TIP3 316 -26.067 -14.880 -28.666 0.00 0.00 WAT1 ATOM 2804 H1 TIP3 316 -26.437 -15.682 -29.035 0.00 0.00 WAT1 ATOM 2805 H2 TIP3 316 -25.126 -15.049 -28.619 0.00 0.00 WAT1 ATOM 2806 OH2 TIP3 317 -20.970 -16.512 -28.388 0.00 0.00 WAT1 ATOM 2807 H1 TIP3 317 -20.666 -17.198 -28.982 0.00 0.00 WAT1 ATOM 2808 H2 TIP3 317 -20.248 -16.394 -27.770 0.00 0.00 WAT1 ATOM 2809 OH2 TIP3 318 -18.495 -15.599 -33.170 0.00 0.00 WAT1 ATOM 2810 H1 TIP3 318 -18.791 -15.921 -34.021 0.00 0.00 WAT1 ATOM 2811 H2 TIP3 318 -18.819 -14.699 -33.128 0.00 0.00 WAT1 ATOM 2812 OH2 TIP3 319 -23.295 -17.423 -26.426 0.00 0.00 WAT1 ATOM 2813 H1 TIP3 319 -24.035 -16.825 -26.323 0.00 0.00 WAT1 ATOM 2814 H2 TIP3 319 -22.581 -16.869 -26.742 0.00 0.00 WAT1 ATOM 2815 OH2 TIP3 320 -24.887 -15.459 -25.639 0.00 0.00 WAT1 ATOM 2816 H1 TIP3 320 -24.893 -14.580 -26.017 0.00 0.00 WAT1 ATOM 2817 H2 TIP3 320 -25.741 -15.542 -25.214 0.00 0.00 WAT1 ATOM 2818 OH2 TIP3 321 -15.141 -14.166 -28.144 0.00 0.00 WAT1 ATOM 2819 H1 TIP3 321 -16.083 -14.108 -27.983 0.00 0.00 WAT1 ATOM 2820 H2 TIP3 321 -14.865 -13.260 -28.281 0.00 0.00 WAT1 ATOM 2821 OH2 TIP3 322 -16.889 -12.385 -31.519 0.00 0.00 WAT1 ATOM 2822 H1 TIP3 322 -16.464 -13.092 -32.004 0.00 0.00 WAT1 ATOM 2823 H2 TIP3 322 -16.572 -11.584 -31.936 0.00 0.00 WAT1 ATOM 2824 OH2 TIP3 323 -14.044 -15.918 -24.533 0.00 0.00 WAT1 ATOM 2825 H1 TIP3 323 -13.904 -16.509 -25.272 0.00 0.00 WAT1 ATOM 2826 H2 TIP3 323 -13.876 -15.045 -24.889 0.00 0.00 WAT1 ATOM 2827 OH2 TIP3 324 -19.571 -18.956 -34.761 0.00 0.00 WAT1 ATOM 2828 H1 TIP3 324 -20.283 -18.421 -35.112 0.00 0.00 WAT1 ATOM 2829 H2 TIP3 324 -18.880 -18.900 -35.421 0.00 0.00 WAT1 ATOM 2830 OH2 TIP3 325 -19.517 -20.498 -37.722 0.00 0.00 WAT1 ATOM 2831 H1 TIP3 325 -18.816 -20.476 -37.071 0.00 0.00 WAT1 ATOM 2832 H2 TIP3 325 -19.215 -21.126 -38.378 0.00 0.00 WAT1 ATOM 2833 OH2 TIP3 326 -16.165 -18.746 -33.809 0.00 0.00 WAT1 ATOM 2834 H1 TIP3 326 -16.897 -18.518 -33.236 0.00 0.00 WAT1 ATOM 2835 H2 TIP3 326 -15.718 -19.460 -33.354 0.00 0.00 WAT1 ATOM 2836 OH2 TIP3 327 -23.153 -14.688 -29.245 0.00 0.00 WAT1 ATOM 2837 H1 TIP3 327 -23.248 -15.266 -30.002 0.00 0.00 WAT1 ATOM 2838 H2 TIP3 327 -22.424 -15.059 -28.749 0.00 0.00 WAT1 ATOM 2839 OH2 TIP3 328 -17.844 -13.844 -27.559 0.00 0.00 WAT1 ATOM 2840 H1 TIP3 328 -18.085 -13.182 -26.911 0.00 0.00 WAT1 ATOM 2841 H2 TIP3 328 -18.042 -14.678 -27.134 0.00 0.00 WAT1 ATOM 2842 OH2 TIP3 329 -23.273 -14.948 -23.576 0.00 0.00 WAT1 ATOM 2843 H1 TIP3 329 -23.585 -14.166 -23.120 0.00 0.00 WAT1 ATOM 2844 H2 TIP3 329 -23.923 -15.101 -24.262 0.00 0.00 WAT1 ATOM 2845 OH2 TIP3 330 -17.294 -19.584 -36.124 0.00 0.00 WAT1 ATOM 2846 H1 TIP3 330 -16.715 -19.434 -35.377 0.00 0.00 WAT1 ATOM 2847 H2 TIP3 330 -16.880 -19.113 -36.847 0.00 0.00 WAT1 ATOM 2848 OH2 TIP3 331 -19.568 -12.847 -32.689 0.00 0.00 WAT1 ATOM 2849 H1 TIP3 331 -19.094 -12.552 -31.911 0.00 0.00 WAT1 ATOM 2850 H2 TIP3 331 -20.131 -12.109 -32.922 0.00 0.00 WAT1 ATOM 2851 OH2 TIP3 332 -27.188 -15.360 -24.479 0.00 0.00 WAT1 ATOM 2852 H1 TIP3 332 -26.971 -15.721 -23.619 0.00 0.00 WAT1 ATOM 2853 H2 TIP3 332 -28.043 -15.734 -24.689 0.00 0.00 WAT1 ATOM 2854 OH2 TIP3 333 -26.609 -16.895 -22.241 0.00 0.00 WAT1 ATOM 2855 H1 TIP3 333 -25.876 -16.641 -21.680 0.00 0.00 WAT1 ATOM 2856 H2 TIP3 333 -27.389 -16.691 -21.726 0.00 0.00 WAT1 ATOM 2857 OH2 TIP3 334 -21.409 -16.887 -35.404 0.00 0.00 WAT1 ATOM 2858 H1 TIP3 334 -22.153 -17.394 -35.727 0.00 0.00 WAT1 ATOM 2859 H2 TIP3 334 -21.543 -16.838 -34.458 0.00 0.00 WAT1 ATOM 2860 OH2 TIP3 335 -14.259 -17.754 -26.618 0.00 0.00 WAT1 ATOM 2861 H1 TIP3 335 -13.617 -17.297 -27.161 0.00 0.00 WAT1 ATOM 2862 H2 TIP3 335 -15.089 -17.641 -27.080 0.00 0.00 WAT1 ATOM 2863 OH2 TIP3 336 -19.889 -16.703 -24.167 0.00 0.00 WAT1 ATOM 2864 H1 TIP3 336 -20.235 -17.084 -23.361 0.00 0.00 WAT1 ATOM 2865 H2 TIP3 336 -20.089 -15.769 -24.096 0.00 0.00 WAT1 ATOM 2866 OH2 TIP3 337 -16.793 -22.206 -35.544 0.00 0.00 WAT1 ATOM 2867 H1 TIP3 337 -15.901 -22.343 -35.225 0.00 0.00 WAT1 ATOM 2868 H2 TIP3 337 -16.736 -21.415 -36.081 0.00 0.00 WAT1 ATOM 2869 OH2 TIP3 338 -19.283 -15.428 -36.379 0.00 0.00 WAT1 ATOM 2870 H1 TIP3 338 -19.578 -14.602 -35.997 0.00 0.00 WAT1 ATOM 2871 H2 TIP3 338 -19.986 -16.048 -36.183 0.00 0.00 WAT1 ATOM 2872 OH2 TIP3 339 -17.639 -14.241 -24.217 0.00 0.00 WAT1 ATOM 2873 H1 TIP3 339 -18.540 -14.058 -24.485 0.00 0.00 WAT1 ATOM 2874 H2 TIP3 339 -17.605 -13.982 -23.296 0.00 0.00 WAT1 ATOM 2875 OH2 TIP3 340 -11.908 -21.996 -35.850 0.00 0.00 WAT1 ATOM 2876 H1 TIP3 340 -12.462 -22.392 -36.522 0.00 0.00 WAT1 ATOM 2877 H2 TIP3 340 -11.807 -21.086 -36.127 0.00 0.00 WAT1 ATOM 2878 OH2 TIP3 341 -11.944 -16.196 -23.013 0.00 0.00 WAT1 ATOM 2879 H1 TIP3 341 -12.796 -15.958 -23.380 0.00 0.00 WAT1 ATOM 2880 H2 TIP3 341 -11.354 -16.213 -23.766 0.00 0.00 WAT1 ATOM 2881 OH2 TIP3 342 -23.798 -11.389 -33.109 0.00 0.00 WAT1 ATOM 2882 H1 TIP3 342 -24.748 -11.284 -33.057 0.00 0.00 WAT1 ATOM 2883 H2 TIP3 342 -23.447 -10.569 -32.764 0.00 0.00 WAT1 ATOM 2884 OH2 TIP3 343 -18.423 -16.163 -26.638 0.00 0.00 WAT1 ATOM 2885 H1 TIP3 343 -18.849 -16.390 -25.812 0.00 0.00 WAT1 ATOM 2886 H2 TIP3 343 -17.842 -16.901 -26.821 0.00 0.00 WAT1 ATOM 2887 OH2 TIP3 344 -27.991 -12.573 -26.327 0.00 0.00 WAT1 ATOM 2888 H1 TIP3 344 -27.774 -13.505 -26.358 0.00 0.00 WAT1 ATOM 2889 H2 TIP3 344 -27.744 -12.299 -25.443 0.00 0.00 WAT1 ATOM 2890 OH2 TIP3 345 -22.129 -14.122 -39.117 0.00 0.00 WAT1 ATOM 2891 H1 TIP3 345 -21.890 -14.870 -39.665 0.00 0.00 WAT1 ATOM 2892 H2 TIP3 345 -22.398 -14.510 -38.285 0.00 0.00 WAT1 ATOM 2893 OH2 TIP3 346 -23.192 -14.552 -36.661 0.00 0.00 WAT1 ATOM 2894 H1 TIP3 346 -23.045 -15.072 -35.871 0.00 0.00 WAT1 ATOM 2895 H2 TIP3 346 -23.195 -13.645 -36.355 0.00 0.00 WAT1 ATOM 2896 OH2 TIP3 347 -20.454 -12.854 -35.912 0.00 0.00 WAT1 ATOM 2897 H1 TIP3 347 -21.271 -12.357 -35.859 0.00 0.00 WAT1 ATOM 2898 H2 TIP3 347 -19.925 -12.379 -36.552 0.00 0.00 WAT1 ATOM 2899 OH2 TIP3 348 -23.116 -11.811 -35.930 0.00 0.00 WAT1 ATOM 2900 H1 TIP3 348 -22.955 -11.011 -36.431 0.00 0.00 WAT1 ATOM 2901 H2 TIP3 348 -23.313 -11.504 -35.045 0.00 0.00 WAT1 ATOM 2902 OH2 TIP3 349 -14.494 -11.357 -28.202 0.00 0.00 WAT1 ATOM 2903 H1 TIP3 349 -14.650 -10.679 -28.859 0.00 0.00 WAT1 ATOM 2904 H2 TIP3 349 -13.562 -11.285 -27.999 0.00 0.00 WAT1 ATOM 2905 OH2 TIP3 350 -28.780 -10.686 -21.974 0.00 0.00 WAT1 ATOM 2906 H1 TIP3 350 -28.240 -10.903 -21.215 0.00 0.00 WAT1 ATOM 2907 H2 TIP3 350 -29.261 -11.492 -22.164 0.00 0.00 WAT1 ATOM 2908 OH2 TIP3 351 -17.606 -13.387 -21.625 0.00 0.00 WAT1 ATOM 2909 H1 TIP3 351 -17.957 -14.243 -21.382 0.00 0.00 WAT1 ATOM 2910 H2 TIP3 351 -16.880 -13.244 -21.018 0.00 0.00 WAT1 ATOM 2911 OH2 TIP3 352 -22.218 -16.906 -21.587 0.00 0.00 WAT1 ATOM 2912 H1 TIP3 352 -22.546 -16.635 -22.445 0.00 0.00 WAT1 ATOM 2913 H2 TIP3 352 -22.066 -17.847 -21.675 0.00 0.00 WAT1 ATOM 2914 OH2 TIP3 353 -19.180 -15.485 -39.152 0.00 0.00 WAT1 ATOM 2915 H1 TIP3 353 -19.448 -15.305 -38.251 0.00 0.00 WAT1 ATOM 2916 H2 TIP3 353 -19.386 -16.411 -39.283 0.00 0.00 WAT1 ATOM 2917 OH2 TIP3 354 -16.483 -16.990 -24.204 0.00 0.00 WAT1 ATOM 2918 H1 TIP3 354 -15.738 -16.402 -24.324 0.00 0.00 WAT1 ATOM 2919 H2 TIP3 354 -17.240 -16.408 -24.141 0.00 0.00 WAT1 ATOM 2920 OH2 TIP3 355 -16.028 -18.899 -22.305 0.00 0.00 WAT1 ATOM 2921 H1 TIP3 355 -16.309 -18.190 -22.883 0.00 0.00 WAT1 ATOM 2922 H2 TIP3 355 -15.085 -18.972 -22.456 0.00 0.00 WAT1 ATOM 2923 OH2 TIP3 356 -22.414 -9.626 -37.318 0.00 0.00 WAT1 ATOM 2924 H1 TIP3 356 -21.481 -9.468 -37.174 0.00 0.00 WAT1 ATOM 2925 H2 TIP3 356 -22.678 -8.951 -37.943 0.00 0.00 WAT1 ATOM 2926 OH2 TIP3 357 -30.197 -9.597 -32.758 0.00 0.00 WAT1 ATOM 2927 H1 TIP3 357 -30.844 -10.059 -33.291 0.00 0.00 WAT1 ATOM 2928 H2 TIP3 357 -29.842 -10.269 -32.175 0.00 0.00 WAT1 ATOM 2929 OH2 TIP3 358 -29.327 -11.516 -30.953 0.00 0.00 WAT1 ATOM 2930 H1 TIP3 358 -29.661 -12.397 -30.781 0.00 0.00 WAT1 ATOM 2931 H2 TIP3 358 -29.105 -11.171 -30.089 0.00 0.00 WAT1 ATOM 2932 OH2 TIP3 359 -11.778 -10.707 -27.973 0.00 0.00 WAT1 ATOM 2933 H1 TIP3 359 -11.800 -10.522 -27.034 0.00 0.00 WAT1 ATOM 2934 H2 TIP3 359 -11.088 -10.138 -28.314 0.00 0.00 WAT1 ATOM 2935 OH2 TIP3 360 -13.764 -15.350 -20.413 0.00 0.00 WAT1 ATOM 2936 H1 TIP3 360 -14.630 -15.455 -20.019 0.00 0.00 WAT1 ATOM 2937 H2 TIP3 360 -13.388 -14.591 -19.966 0.00 0.00 WAT1 ATOM 2938 OH2 TIP3 361 -12.069 -19.040 -33.075 0.00 0.00 WAT1 ATOM 2939 H1 TIP3 361 -12.795 -19.519 -32.677 0.00 0.00 WAT1 ATOM 2940 H2 TIP3 361 -11.488 -18.834 -32.343 0.00 0.00 WAT1 ATOM 2941 OH2 TIP3 362 -12.310 -16.255 -28.127 0.00 0.00 WAT1 ATOM 2942 H1 TIP3 362 -11.476 -16.633 -28.408 0.00 0.00 WAT1 ATOM 2943 H2 TIP3 362 -12.198 -15.312 -28.246 0.00 0.00 WAT1 ATOM 2944 OH2 TIP3 363 -11.801 -19.139 -36.684 0.00 0.00 WAT1 ATOM 2945 H1 TIP3 363 -12.322 -18.782 -37.403 0.00 0.00 WAT1 ATOM 2946 H2 TIP3 363 -11.834 -18.464 -36.006 0.00 0.00 WAT1 ATOM 2947 OH2 TIP3 364 -13.452 -21.899 -38.133 0.00 0.00 WAT1 ATOM 2948 H1 TIP3 364 -13.355 -21.232 -38.813 0.00 0.00 WAT1 ATOM 2949 H2 TIP3 364 -13.592 -22.715 -38.615 0.00 0.00 WAT1 ATOM 2950 OH2 TIP3 365 -14.282 -20.519 -32.512 0.00 0.00 WAT1 ATOM 2951 H1 TIP3 365 -14.432 -21.464 -32.532 0.00 0.00 WAT1 ATOM 2952 H2 TIP3 365 -14.636 -20.238 -31.668 0.00 0.00 WAT1 ATOM 2953 OH2 TIP3 366 -13.426 -18.549 -22.873 0.00 0.00 WAT1 ATOM 2954 H1 TIP3 366 -12.843 -19.283 -22.682 0.00 0.00 WAT1 ATOM 2955 H2 TIP3 366 -12.862 -17.777 -22.827 0.00 0.00 WAT1 ATOM 2956 OH2 TIP3 367 -27.655 -13.688 -21.858 0.00 0.00 WAT1 ATOM 2957 H1 TIP3 367 -28.476 -13.513 -22.318 0.00 0.00 WAT1 ATOM 2958 H2 TIP3 367 -27.907 -13.761 -20.937 0.00 0.00 WAT1 ATOM 2959 OH2 TIP3 368 -20.121 -9.969 -27.346 0.00 0.00 WAT1 ATOM 2960 H1 TIP3 368 -20.578 -9.440 -28.000 0.00 0.00 WAT1 ATOM 2961 H2 TIP3 368 -19.958 -9.366 -26.621 0.00 0.00 WAT1 ATOM 2962 OH2 TIP3 369 -17.794 -11.091 -26.401 0.00 0.00 WAT1 ATOM 2963 H1 TIP3 369 -18.698 -10.926 -26.667 0.00 0.00 WAT1 ATOM 2964 H2 TIP3 369 -17.365 -10.238 -26.467 0.00 0.00 WAT1 ATOM 2965 OH2 TIP3 370 -27.884 -10.834 -28.641 0.00 0.00 WAT1 ATOM 2966 H1 TIP3 370 -27.903 -11.259 -27.784 0.00 0.00 WAT1 ATOM 2967 H2 TIP3 370 -27.079 -11.152 -29.050 0.00 0.00 WAT1 ATOM 2968 OH2 TIP3 371 -25.743 -12.124 -29.986 0.00 0.00 WAT1 ATOM 2969 H1 TIP3 371 -25.962 -13.040 -29.817 0.00 0.00 WAT1 ATOM 2970 H2 TIP3 371 -24.919 -11.984 -29.520 0.00 0.00 WAT1 ATOM 2971 OH2 TIP3 372 -23.206 -11.654 -29.138 0.00 0.00 WAT1 ATOM 2972 H1 TIP3 372 -22.993 -12.542 -29.425 0.00 0.00 WAT1 ATOM 2973 H2 TIP3 372 -23.141 -11.688 -28.183 0.00 0.00 WAT1 ATOM 2974 OH2 TIP3 373 -18.292 -18.200 -13.357 0.00 0.00 WAT1 ATOM 2975 H1 TIP3 373 -18.203 -17.256 -13.489 0.00 0.00 WAT1 ATOM 2976 H2 TIP3 373 -18.931 -18.475 -14.015 0.00 0.00 WAT1 ATOM 2977 OH2 TIP3 374 -19.359 -18.945 -9.938 0.00 0.00 WAT1 ATOM 2978 H1 TIP3 374 -19.397 -19.591 -9.233 0.00 0.00 WAT1 ATOM 2979 H2 TIP3 374 -19.682 -19.411 -10.709 0.00 0.00 WAT1 ATOM 2980 OH2 TIP3 375 -15.653 -16.006 -11.636 0.00 0.00 WAT1 ATOM 2981 H1 TIP3 375 -16.094 -16.726 -11.186 0.00 0.00 WAT1 ATOM 2982 H2 TIP3 375 -15.666 -15.285 -11.006 0.00 0.00 WAT1 ATOM 2983 OH2 TIP3 376 -26.067 -14.880 -9.810 0.00 0.00 WAT1 ATOM 2984 H1 TIP3 376 -26.437 -15.682 -10.179 0.00 0.00 WAT1 ATOM 2985 H2 TIP3 376 -25.126 -15.049 -9.763 0.00 0.00 WAT1 ATOM 2986 OH2 TIP3 377 -22.898 -20.070 -11.954 0.00 0.00 WAT1 ATOM 2987 H1 TIP3 377 -22.282 -20.596 -11.445 0.00 0.00 WAT1 ATOM 2988 H2 TIP3 377 -23.484 -20.710 -12.358 0.00 0.00 WAT1 ATOM 2989 OH2 TIP3 378 -18.495 -15.599 -14.314 0.00 0.00 WAT1 ATOM 2990 H1 TIP3 378 -18.791 -15.921 -15.165 0.00 0.00 WAT1 ATOM 2991 H2 TIP3 378 -18.819 -14.699 -14.272 0.00 0.00 WAT1 ATOM 2992 OH2 TIP3 379 -23.295 -17.423 -7.570 0.00 0.00 WAT1 ATOM 2993 H1 TIP3 379 -24.035 -16.825 -7.467 0.00 0.00 WAT1 ATOM 2994 H2 TIP3 379 -22.581 -16.869 -7.886 0.00 0.00 WAT1 ATOM 2995 OH2 TIP3 380 -24.887 -15.459 -6.783 0.00 0.00 WAT1 ATOM 2996 H1 TIP3 380 -24.893 -14.580 -7.161 0.00 0.00 WAT1 ATOM 2997 H2 TIP3 380 -25.741 -15.542 -6.358 0.00 0.00 WAT1 ATOM 2998 OH2 TIP3 381 -28.766 -15.788 -16.001 0.00 0.00 WAT1 ATOM 2999 H1 TIP3 381 -29.038 -15.559 -16.890 0.00 0.00 WAT1 ATOM 3000 H2 TIP3 381 -28.721 -14.950 -15.541 0.00 0.00 WAT1 ATOM 3001 OH2 TIP3 382 -19.571 -18.956 -15.905 0.00 0.00 WAT1 ATOM 3002 H1 TIP3 382 -20.283 -18.421 -16.256 0.00 0.00 WAT1 ATOM 3003 H2 TIP3 382 -18.880 -18.900 -16.565 0.00 0.00 WAT1 ATOM 3004 OH2 TIP3 383 -12.202 -19.578 -7.611 0.00 0.00 WAT1 ATOM 3005 H1 TIP3 383 -12.854 -18.883 -7.522 0.00 0.00 WAT1 ATOM 3006 H2 TIP3 383 -11.737 -19.368 -8.421 0.00 0.00 WAT1 ATOM 3007 OH2 TIP3 384 -16.165 -18.746 -14.953 0.00 0.00 WAT1 ATOM 3008 H1 TIP3 384 -16.897 -18.518 -14.380 0.00 0.00 WAT1 ATOM 3009 H2 TIP3 384 -15.718 -19.460 -14.498 0.00 0.00 WAT1 ATOM 3010 OH2 TIP3 385 -16.268 -20.572 -5.885 0.00 0.00 WAT1 ATOM 3011 H1 TIP3 385 -16.188 -19.809 -5.313 0.00 0.00 WAT1 ATOM 3012 H2 TIP3 385 -16.869 -20.293 -6.576 0.00 0.00 WAT1 ATOM 3013 OH2 TIP3 386 -24.520 -18.116 -13.070 0.00 0.00 WAT1 ATOM 3014 H1 TIP3 386 -24.850 -18.486 -13.889 0.00 0.00 WAT1 ATOM 3015 H2 TIP3 386 -23.932 -18.786 -12.724 0.00 0.00 WAT1 ATOM 3016 OH2 TIP3 387 -24.153 -19.347 -9.437 0.00 0.00 WAT1 ATOM 3017 H1 TIP3 387 -23.588 -19.226 -10.200 0.00 0.00 WAT1 ATOM 3018 H2 TIP3 387 -23.834 -18.710 -8.798 0.00 0.00 WAT1 ATOM 3019 OH2 TIP3 388 -23.273 -14.948 -4.720 0.00 0.00 WAT1 ATOM 3020 H1 TIP3 388 -23.585 -14.166 -4.264 0.00 0.00 WAT1 ATOM 3021 H2 TIP3 388 -23.923 -15.101 -5.406 0.00 0.00 WAT1 ATOM 3022 OH2 TIP3 389 -25.034 -12.876 -3.956 0.00 0.00 WAT1 ATOM 3023 H1 TIP3 389 -25.026 -13.012 -4.904 0.00 0.00 WAT1 ATOM 3024 H2 TIP3 389 -25.950 -12.994 -3.704 0.00 0.00 WAT1 ATOM 3025 OH2 TIP3 390 -25.530 -19.046 -15.481 0.00 0.00 WAT1 ATOM 3026 H1 TIP3 390 -25.822 -18.278 -15.972 0.00 0.00 WAT1 ATOM 3027 H2 TIP3 390 -26.204 -19.706 -15.644 0.00 0.00 WAT1 ATOM 3028 OH2 TIP3 391 -29.437 -16.683 -6.666 0.00 0.00 WAT1 ATOM 3029 H1 TIP3 391 -29.938 -16.711 -7.481 0.00 0.00 WAT1 ATOM 3030 H2 TIP3 391 -29.431 -17.589 -6.356 0.00 0.00 WAT1 ATOM 3031 OH2 TIP3 392 -29.686 -13.903 -9.782 0.00 0.00 WAT1 ATOM 3032 H1 TIP3 392 -28.740 -14.047 -9.801 0.00 0.00 WAT1 ATOM 3033 H2 TIP3 392 -29.799 -13.119 -9.245 0.00 0.00 WAT1 ATOM 3034 OH2 TIP3 393 -14.337 -21.744 -3.620 0.00 0.00 WAT1 ATOM 3035 H1 TIP3 393 -14.744 -21.263 -4.340 0.00 0.00 WAT1 ATOM 3036 H2 TIP3 393 -14.296 -22.649 -3.927 0.00 0.00 WAT1 ATOM 3037 OH2 TIP3 394 -27.188 -15.360 -5.623 0.00 0.00 WAT1 ATOM 3038 H1 TIP3 394 -26.971 -15.721 -4.763 0.00 0.00 WAT1 ATOM 3039 H2 TIP3 394 -28.043 -15.734 -5.833 0.00 0.00 WAT1 ATOM 3040 OH2 TIP3 395 -16.580 -23.412 -5.399 0.00 0.00 WAT1 ATOM 3041 H1 TIP3 395 -17.094 -23.538 -4.602 0.00 0.00 WAT1 ATOM 3042 H2 TIP3 395 -16.735 -22.500 -5.644 0.00 0.00 WAT1 ATOM 3043 OH2 TIP3 396 -15.817 -18.551 -19.638 0.00 0.00 WAT1 ATOM 3044 H1 TIP3 396 -15.775 -18.774 -20.568 0.00 0.00 WAT1 ATOM 3045 H2 TIP3 396 -14.968 -18.153 -19.448 0.00 0.00 WAT1 ATOM 3046 OH2 TIP3 397 -19.843 -21.112 -3.315 0.00 0.00 WAT1 ATOM 3047 H1 TIP3 397 -20.406 -21.816 -2.995 0.00 0.00 WAT1 ATOM 3048 H2 TIP3 397 -19.017 -21.232 -2.848 0.00 0.00 WAT1 ATOM 3049 OH2 TIP3 398 -18.677 -20.203 -7.318 0.00 0.00 WAT1 ATOM 3050 H1 TIP3 398 -18.353 -20.834 -7.961 0.00 0.00 WAT1 ATOM 3051 H2 TIP3 398 -19.117 -20.738 -6.657 0.00 0.00 WAT1 ATOM 3052 OH2 TIP3 399 -21.409 -16.887 -16.548 0.00 0.00 WAT1 ATOM 3053 H1 TIP3 399 -22.153 -17.394 -16.871 0.00 0.00 WAT1 ATOM 3054 H2 TIP3 399 -21.543 -16.838 -15.602 0.00 0.00 WAT1 ATOM 3055 OH2 TIP3 400 -14.259 -17.754 -7.762 0.00 0.00 WAT1 ATOM 3056 H1 TIP3 400 -13.617 -17.297 -8.305 0.00 0.00 WAT1 ATOM 3057 H2 TIP3 400 -15.089 -17.641 -8.224 0.00 0.00 WAT1 ATOM 3058 OH2 TIP3 401 -26.284 -17.592 -10.779 0.00 0.00 WAT1 ATOM 3059 H1 TIP3 401 -25.539 -17.594 -11.380 0.00 0.00 WAT1 ATOM 3060 H2 TIP3 401 -26.206 -18.416 -10.297 0.00 0.00 WAT1 ATOM 3061 OH2 TIP3 402 -19.283 -15.428 -17.523 0.00 0.00 WAT1 ATOM 3062 H1 TIP3 402 -19.578 -14.602 -17.141 0.00 0.00 WAT1 ATOM 3063 H2 TIP3 402 -19.986 -16.048 -17.327 0.00 0.00 WAT1 ATOM 3064 OH2 TIP3 403 -22.259 -19.614 -3.251 0.00 0.00 WAT1 ATOM 3065 H1 TIP3 403 -22.555 -19.780 -4.146 0.00 0.00 WAT1 ATOM 3066 H2 TIP3 403 -21.328 -19.834 -3.261 0.00 0.00 WAT1 ATOM 3067 OH2 TIP3 404 -16.452 -18.402 -9.507 0.00 0.00 WAT1 ATOM 3068 H1 TIP3 404 -17.380 -18.634 -9.534 0.00 0.00 WAT1 ATOM 3069 H2 TIP3 404 -16.001 -19.179 -9.837 0.00 0.00 WAT1 ATOM 3070 OH2 TIP3 405 -22.482 -16.411 -13.798 0.00 0.00 WAT1 ATOM 3071 H1 TIP3 405 -22.723 -15.486 -13.756 0.00 0.00 WAT1 ATOM 3072 H2 TIP3 405 -23.222 -16.870 -13.402 0.00 0.00 WAT1 ATOM 3073 OH2 TIP3 406 -16.220 -15.234 -18.708 0.00 0.00 WAT1 ATOM 3074 H1 TIP3 406 -15.867 -15.614 -17.904 0.00 0.00 WAT1 ATOM 3075 H2 TIP3 406 -17.169 -15.327 -18.622 0.00 0.00 WAT1 ATOM 3076 OH2 TIP3 407 -15.354 -16.561 -16.482 0.00 0.00 WAT1 ATOM 3077 H1 TIP3 407 -15.631 -17.289 -15.926 0.00 0.00 WAT1 ATOM 3078 H2 TIP3 407 -14.427 -16.442 -16.276 0.00 0.00 WAT1 ATOM 3079 OH2 TIP3 408 -22.129 -14.122 -20.261 0.00 0.00 WAT1 ATOM 3080 H1 TIP3 408 -21.890 -14.870 -20.809 0.00 0.00 WAT1 ATOM 3081 H2 TIP3 408 -22.398 -14.510 -19.429 0.00 0.00 WAT1 ATOM 3082 OH2 TIP3 409 -23.192 -14.552 -17.805 0.00 0.00 WAT1 ATOM 3083 H1 TIP3 409 -23.045 -15.072 -17.015 0.00 0.00 WAT1 ATOM 3084 H2 TIP3 409 -23.195 -13.645 -17.499 0.00 0.00 WAT1 ATOM 3085 OH2 TIP3 410 -26.739 -17.299 -17.295 0.00 0.00 WAT1 ATOM 3086 H1 TIP3 410 -27.425 -16.947 -16.728 0.00 0.00 WAT1 ATOM 3087 H2 TIP3 410 -26.216 -16.536 -17.541 0.00 0.00 WAT1 ATOM 3088 OH2 TIP3 411 -20.387 -22.271 -5.899 0.00 0.00 WAT1 ATOM 3089 H1 TIP3 411 -20.268 -21.697 -5.142 0.00 0.00 WAT1 ATOM 3090 H2 TIP3 411 -19.732 -22.959 -5.784 0.00 0.00 WAT1 ATOM 3091 OH2 TIP3 412 -26.123 -14.685 -18.398 0.00 0.00 WAT1 ATOM 3092 H1 TIP3 412 -25.531 -13.986 -18.122 0.00 0.00 WAT1 ATOM 3093 H2 TIP3 412 -25.664 -15.118 -19.117 0.00 0.00 WAT1 ATOM 3094 OH2 TIP3 413 -28.780 -10.686 -3.118 0.00 0.00 WAT1 ATOM 3095 H1 TIP3 413 -28.240 -10.903 -2.359 0.00 0.00 WAT1 ATOM 3096 H2 TIP3 413 -29.261 -11.492 -3.308 0.00 0.00 WAT1 ATOM 3097 OH2 TIP3 414 -24.183 -11.767 -1.498 0.00 0.00 WAT1 ATOM 3098 H1 TIP3 414 -23.415 -12.226 -1.157 0.00 0.00 WAT1 ATOM 3099 H2 TIP3 414 -24.204 -11.993 -2.428 0.00 0.00 WAT1 ATOM 3100 OH2 TIP3 415 -24.532 -16.532 -20.032 0.00 0.00 WAT1 ATOM 3101 H1 TIP3 415 -24.468 -17.326 -19.501 0.00 0.00 WAT1 ATOM 3102 H2 TIP3 415 -23.879 -16.651 -20.721 0.00 0.00 WAT1 ATOM 3103 OH2 TIP3 416 -22.218 -16.906 -2.731 0.00 0.00 WAT1 ATOM 3104 H1 TIP3 416 -22.546 -16.635 -3.589 0.00 0.00 WAT1 ATOM 3105 H2 TIP3 416 -22.066 -17.847 -2.819 0.00 0.00 WAT1 ATOM 3106 OH2 TIP3 417 -19.180 -15.485 -20.296 0.00 0.00 WAT1 ATOM 3107 H1 TIP3 417 -19.448 -15.305 -19.395 0.00 0.00 WAT1 ATOM 3108 H2 TIP3 417 -19.386 -16.411 -20.427 0.00 0.00 WAT1 ATOM 3109 OH2 TIP3 418 -23.383 -18.560 -17.726 0.00 0.00 WAT1 ATOM 3110 H1 TIP3 418 -23.842 -19.044 -17.040 0.00 0.00 WAT1 ATOM 3111 H2 TIP3 418 -23.128 -19.228 -18.362 0.00 0.00 WAT1 ATOM 3112 OH2 TIP3 419 -12.922 -17.962 -20.018 0.00 0.00 WAT1 ATOM 3113 H1 TIP3 419 -13.195 -18.387 -20.831 0.00 0.00 WAT1 ATOM 3114 H2 TIP3 419 -12.882 -17.031 -20.235 0.00 0.00 WAT1 ATOM 3115 OH2 TIP3 420 -21.760 -19.503 -6.555 0.00 0.00 WAT1 ATOM 3116 H1 TIP3 420 -21.009 -19.659 -7.128 0.00 0.00 WAT1 ATOM 3117 H2 TIP3 420 -22.099 -18.651 -6.831 0.00 0.00 WAT1 ATOM 3118 OH2 TIP3 421 -17.344 -21.688 -1.527 0.00 0.00 WAT1 ATOM 3119 H1 TIP3 421 -17.152 -22.619 -1.638 0.00 0.00 WAT1 ATOM 3120 H2 TIP3 421 -16.487 -21.263 -1.537 0.00 0.00 WAT1 ATOM 3121 OH2 TIP3 422 -28.846 -14.990 -18.979 0.00 0.00 WAT1 ATOM 3122 H1 TIP3 422 -27.932 -14.911 -18.706 0.00 0.00 WAT1 ATOM 3123 H2 TIP3 422 -28.839 -15.677 -19.646 0.00 0.00 WAT1 ATOM 3124 OH2 TIP3 423 -12.463 -17.093 -16.043 0.00 0.00 WAT1 ATOM 3125 H1 TIP3 423 -11.613 -16.672 -15.915 0.00 0.00 WAT1 ATOM 3126 H2 TIP3 423 -12.458 -17.833 -15.435 0.00 0.00 WAT1 ATOM 3127 OH2 TIP3 424 -12.069 -19.040 -14.219 0.00 0.00 WAT1 ATOM 3128 H1 TIP3 424 -12.795 -19.519 -13.821 0.00 0.00 WAT1 ATOM 3129 H2 TIP3 424 -11.488 -18.834 -13.487 0.00 0.00 WAT1 ATOM 3130 OH2 TIP3 425 -11.929 -20.646 -3.333 0.00 0.00 WAT1 ATOM 3131 H1 TIP3 425 -12.792 -21.025 -3.498 0.00 0.00 WAT1 ATOM 3132 H2 TIP3 425 -11.325 -21.385 -3.407 0.00 0.00 WAT1 ATOM 3133 OH2 TIP3 426 -13.931 -21.618 -6.982 0.00 0.00 WAT1 ATOM 3134 H1 TIP3 426 -14.774 -21.350 -6.616 0.00 0.00 WAT1 ATOM 3135 H2 TIP3 426 -13.488 -20.796 -7.193 0.00 0.00 WAT1 ATOM 3136 OH2 TIP3 427 -27.655 -13.688 -3.002 0.00 0.00 WAT1 ATOM 3137 H1 TIP3 427 -28.476 -13.513 -3.462 0.00 0.00 WAT1 ATOM 3138 H2 TIP3 427 -27.907 -13.761 -2.081 0.00 0.00 WAT1 ATOM 3139 OH2 TIP3 428 -15.653 -16.006 7.220 0.00 0.00 WAT1 ATOM 3140 H1 TIP3 428 -16.094 -16.726 7.670 0.00 0.00 WAT1 ATOM 3141 H2 TIP3 428 -15.666 -15.285 7.850 0.00 0.00 WAT1 ATOM 3142 OH2 TIP3 429 -18.495 -15.599 4.542 0.00 0.00 WAT1 ATOM 3143 H1 TIP3 429 -18.791 -15.921 3.691 0.00 0.00 WAT1 ATOM 3144 H2 TIP3 429 -18.819 -14.699 4.584 0.00 0.00 WAT1 ATOM 3145 OH2 TIP3 430 -15.141 -14.166 9.568 0.00 0.00 WAT1 ATOM 3146 H1 TIP3 430 -16.083 -14.108 9.729 0.00 0.00 WAT1 ATOM 3147 H2 TIP3 430 -14.865 -13.260 9.431 0.00 0.00 WAT1 ATOM 3148 OH2 TIP3 431 -16.889 -12.385 6.193 0.00 0.00 WAT1 ATOM 3149 H1 TIP3 431 -16.464 -13.092 5.708 0.00 0.00 WAT1 ATOM 3150 H2 TIP3 431 -16.572 -11.584 5.776 0.00 0.00 WAT1 ATOM 3151 OH2 TIP3 432 -15.730 -14.484 4.702 0.00 0.00 WAT1 ATOM 3152 H1 TIP3 432 -15.987 -15.174 4.090 0.00 0.00 WAT1 ATOM 3153 H2 TIP3 432 -15.659 -14.927 5.547 0.00 0.00 WAT1 ATOM 3154 OH2 TIP3 433 -14.044 -15.918 13.179 0.00 0.00 WAT1 ATOM 3155 H1 TIP3 433 -13.904 -16.509 12.440 0.00 0.00 WAT1 ATOM 3156 H2 TIP3 433 -13.876 -15.045 12.823 0.00 0.00 WAT1 ATOM 3157 OH2 TIP3 434 -19.571 -18.956 2.951 0.00 0.00 WAT1 ATOM 3158 H1 TIP3 434 -20.283 -18.421 2.600 0.00 0.00 WAT1 ATOM 3159 H2 TIP3 434 -18.880 -18.900 2.291 0.00 0.00 WAT1 ATOM 3160 OH2 TIP3 435 -19.517 -20.498 -0.010 0.00 0.00 WAT1 ATOM 3161 H1 TIP3 435 -18.816 -20.476 0.641 0.00 0.00 WAT1 ATOM 3162 H2 TIP3 435 -19.215 -21.126 -0.666 0.00 0.00 WAT1 ATOM 3163 OH2 TIP3 436 -12.202 -19.578 11.245 0.00 0.00 WAT1 ATOM 3164 H1 TIP3 436 -12.854 -18.883 11.334 0.00 0.00 WAT1 ATOM 3165 H2 TIP3 436 -11.737 -19.368 10.435 0.00 0.00 WAT1 ATOM 3166 OH2 TIP3 437 -16.165 -18.746 3.903 0.00 0.00 WAT1 ATOM 3167 H1 TIP3 437 -16.897 -18.518 4.476 0.00 0.00 WAT1 ATOM 3168 H2 TIP3 437 -15.718 -19.460 4.358 0.00 0.00 WAT1 ATOM 3169 OH2 TIP3 438 -17.294 -19.584 1.588 0.00 0.00 WAT1 ATOM 3170 H1 TIP3 438 -16.715 -19.434 2.335 0.00 0.00 WAT1 ATOM 3171 H2 TIP3 438 -16.880 -19.113 0.865 0.00 0.00 WAT1 ATOM 3172 OH2 TIP3 439 -12.406 -13.468 -0.222 0.00 0.00 WAT1 ATOM 3173 H1 TIP3 439 -12.333 -12.529 -0.052 0.00 0.00 WAT1 ATOM 3174 H2 TIP3 439 -11.501 -13.773 -0.279 0.00 0.00 WAT1 ATOM 3175 OH2 TIP3 440 -11.489 -13.237 14.756 0.00 0.00 WAT1 ATOM 3176 H1 TIP3 440 -11.538 -14.192 14.719 0.00 0.00 WAT1 ATOM 3177 H2 TIP3 440 -12.315 -12.969 15.158 0.00 0.00 WAT1 ATOM 3178 OH2 TIP3 441 -20.096 -9.891 3.438 0.00 0.00 WAT1 ATOM 3179 H1 TIP3 441 -20.171 -10.012 2.492 0.00 0.00 WAT1 ATOM 3180 H2 TIP3 441 -20.063 -8.941 3.557 0.00 0.00 WAT1 ATOM 3181 OH2 TIP3 442 -16.994 -10.737 0.441 0.00 0.00 WAT1 ATOM 3182 H1 TIP3 442 -16.619 -11.481 -0.030 0.00 0.00 WAT1 ATOM 3183 H2 TIP3 442 -16.990 -11.007 1.359 0.00 0.00 WAT1 ATOM 3184 OH2 TIP3 443 -21.409 -16.887 2.308 0.00 0.00 WAT1 ATOM 3185 H1 TIP3 443 -22.153 -17.394 1.985 0.00 0.00 WAT1 ATOM 3186 H2 TIP3 443 -21.543 -16.838 3.254 0.00 0.00 WAT1 ATOM 3187 OH2 TIP3 444 -14.259 -17.754 11.094 0.00 0.00 WAT1 ATOM 3188 H1 TIP3 444 -13.617 -17.297 10.551 0.00 0.00 WAT1 ATOM 3189 H2 TIP3 444 -15.089 -17.641 10.632 0.00 0.00 WAT1 ATOM 3190 OH2 TIP3 445 -19.283 -15.428 1.333 0.00 0.00 WAT1 ATOM 3191 H1 TIP3 445 -19.578 -14.602 1.715 0.00 0.00 WAT1 ATOM 3192 H2 TIP3 445 -19.986 -16.048 1.529 0.00 0.00 WAT1 ATOM 3193 OH2 TIP3 446 -11.944 -16.196 14.699 0.00 0.00 WAT1 ATOM 3194 H1 TIP3 446 -12.796 -15.958 14.332 0.00 0.00 WAT1 ATOM 3195 H2 TIP3 446 -11.354 -16.213 13.946 0.00 0.00 WAT1 ATOM 3196 OH2 TIP3 447 -13.612 -13.210 2.327 0.00 0.00 WAT1 ATOM 3197 H1 TIP3 447 -13.985 -14.036 2.637 0.00 0.00 WAT1 ATOM 3198 H2 TIP3 447 -13.335 -13.393 1.430 0.00 0.00 WAT1 ATOM 3199 OH2 TIP3 448 -15.764 -11.611 13.543 0.00 0.00 WAT1 ATOM 3200 H1 TIP3 448 -16.366 -12.166 13.048 0.00 0.00 WAT1 ATOM 3201 H2 TIP3 448 -15.483 -10.944 12.917 0.00 0.00 WAT1 ATOM 3202 OH2 TIP3 449 -11.716 -10.754 0.349 0.00 0.00 WAT1 ATOM 3203 H1 TIP3 449 -10.973 -10.168 0.209 0.00 0.00 WAT1 ATOM 3204 H2 TIP3 449 -12.411 -10.186 0.682 0.00 0.00 WAT1 ATOM 3205 OH2 TIP3 450 -15.354 -16.561 2.374 0.00 0.00 WAT1 ATOM 3206 H1 TIP3 450 -15.631 -17.289 2.930 0.00 0.00 WAT1 ATOM 3207 H2 TIP3 450 -14.427 -16.442 2.580 0.00 0.00 WAT1 ATOM 3208 OH2 TIP3 451 -22.129 -14.122 -1.405 0.00 0.00 WAT1 ATOM 3209 H1 TIP3 451 -21.890 -14.870 -1.953 0.00 0.00 WAT1 ATOM 3210 H2 TIP3 451 -22.398 -14.510 -0.573 0.00 0.00 WAT1 ATOM 3211 OH2 TIP3 452 -23.192 -14.552 1.051 0.00 0.00 WAT1 ATOM 3212 H1 TIP3 452 -23.045 -15.072 1.841 0.00 0.00 WAT1 ATOM 3213 H2 TIP3 452 -23.195 -13.645 1.357 0.00 0.00 WAT1 ATOM 3214 OH2 TIP3 453 -20.454 -12.854 1.800 0.00 0.00 WAT1 ATOM 3215 H1 TIP3 453 -21.271 -12.357 1.853 0.00 0.00 WAT1 ATOM 3216 H2 TIP3 453 -19.925 -12.379 1.160 0.00 0.00 WAT1 ATOM 3217 OH2 TIP3 454 -23.116 -11.811 1.782 0.00 0.00 WAT1 ATOM 3218 H1 TIP3 454 -22.955 -11.011 1.281 0.00 0.00 WAT1 ATOM 3219 H2 TIP3 454 -23.313 -11.504 2.667 0.00 0.00 WAT1 ATOM 3220 OH2 TIP3 455 -14.494 -11.357 9.510 0.00 0.00 WAT1 ATOM 3221 H1 TIP3 455 -14.650 -10.679 8.853 0.00 0.00 WAT1 ATOM 3222 H2 TIP3 455 -13.562 -11.285 9.713 0.00 0.00 WAT1 ATOM 3223 OH2 TIP3 456 -20.091 -12.259 -1.267 0.00 0.00 WAT1 ATOM 3224 H1 TIP3 456 -20.735 -12.890 -0.945 0.00 0.00 WAT1 ATOM 3225 H2 TIP3 456 -19.329 -12.790 -1.499 0.00 0.00 WAT1 ATOM 3226 OH2 TIP3 457 -24.532 -16.532 -1.176 0.00 0.00 WAT1 ATOM 3227 H1 TIP3 457 -24.468 -17.326 -0.645 0.00 0.00 WAT1 ATOM 3228 H2 TIP3 457 -23.879 -16.651 -1.865 0.00 0.00 WAT1 ATOM 3229 OH2 TIP3 458 -23.383 -18.560 1.130 0.00 0.00 WAT1 ATOM 3230 H1 TIP3 458 -23.842 -19.044 1.816 0.00 0.00 WAT1 ATOM 3231 H2 TIP3 458 -23.128 -19.228 0.494 0.00 0.00 WAT1 ATOM 3232 OH2 TIP3 459 -22.312 -20.317 -0.607 0.00 0.00 WAT1 ATOM 3233 H1 TIP3 459 -22.492 -20.471 -1.535 0.00 0.00 WAT1 ATOM 3234 H2 TIP3 459 -21.361 -20.209 -0.563 0.00 0.00 WAT1 ATOM 3235 OH2 TIP3 460 -12.922 -17.962 -1.162 0.00 0.00 WAT1 ATOM 3236 H1 TIP3 460 -13.195 -18.387 -1.975 0.00 0.00 WAT1 ATOM 3237 H2 TIP3 460 -12.882 -17.031 -1.379 0.00 0.00 WAT1 ATOM 3238 OH2 TIP3 461 -22.414 -9.626 0.394 0.00 0.00 WAT1 ATOM 3239 H1 TIP3 461 -21.481 -9.468 0.538 0.00 0.00 WAT1 ATOM 3240 H2 TIP3 461 -22.678 -8.951 -0.231 0.00 0.00 WAT1 ATOM 3241 OH2 TIP3 462 -12.215 -11.140 12.661 0.00 0.00 WAT1 ATOM 3242 H1 TIP3 462 -12.702 -11.875 12.290 0.00 0.00 WAT1 ATOM 3243 H2 TIP3 462 -11.666 -11.533 13.339 0.00 0.00 WAT1 ATOM 3244 OH2 TIP3 463 -12.463 -17.093 2.813 0.00 0.00 WAT1 ATOM 3245 H1 TIP3 463 -11.613 -16.672 2.941 0.00 0.00 WAT1 ATOM 3246 H2 TIP3 463 -12.458 -17.833 3.421 0.00 0.00 WAT1 ATOM 3247 OH2 TIP3 464 -12.069 -19.040 4.637 0.00 0.00 WAT1 ATOM 3248 H1 TIP3 464 -12.795 -19.519 5.035 0.00 0.00 WAT1 ATOM 3249 H2 TIP3 464 -11.488 -18.834 5.369 0.00 0.00 WAT1 ATOM 3250 OH2 TIP3 465 -12.310 -16.255 9.585 0.00 0.00 WAT1 ATOM 3251 H1 TIP3 465 -11.476 -16.633 9.304 0.00 0.00 WAT1 ATOM 3252 H2 TIP3 465 -12.198 -15.312 9.466 0.00 0.00 WAT1 ATOM 3253 OH2 TIP3 466 -13.823 -13.377 11.892 0.00 0.00 WAT1 ATOM 3254 H1 TIP3 466 -14.471 -13.052 12.517 0.00 0.00 WAT1 ATOM 3255 H2 TIP3 466 -14.341 -13.817 11.217 0.00 0.00 WAT1 ATOM 3256 OH2 TIP3 467 -11.801 -19.139 1.028 0.00 0.00 WAT1 ATOM 3257 H1 TIP3 467 -12.322 -18.782 0.309 0.00 0.00 WAT1 ATOM 3258 H2 TIP3 467 -11.834 -18.464 1.706 0.00 0.00 WAT1 ATOM 3259 OH2 TIP3 468 -13.452 -21.899 -0.421 0.00 0.00 WAT1 ATOM 3260 H1 TIP3 468 -13.355 -21.232 -1.101 0.00 0.00 WAT1 ATOM 3261 H2 TIP3 468 -13.592 -22.715 -0.903 0.00 0.00 WAT1 ATOM 3262 OH2 TIP3 469 -15.040 -10.617 5.311 0.00 0.00 WAT1 ATOM 3263 H1 TIP3 469 -14.387 -10.964 4.703 0.00 0.00 WAT1 ATOM 3264 H2 TIP3 469 -14.529 -10.128 5.957 0.00 0.00 WAT1 ATOM 3265 OH2 TIP3 470 -15.189 -9.521 11.606 0.00 0.00 WAT1 ATOM 3266 H1 TIP3 470 -15.371 -8.605 11.395 0.00 0.00 WAT1 ATOM 3267 H2 TIP3 470 -15.013 -9.931 10.759 0.00 0.00 WAT1 ATOM 3268 OH2 TIP3 471 -19.769 -10.400 0.639 0.00 0.00 WAT1 ATOM 3269 H1 TIP3 471 -18.903 -10.034 0.461 0.00 0.00 WAT1 ATOM 3270 H2 TIP3 471 -20.016 -10.840 -0.174 0.00 0.00 WAT1 ATOM 3271 OH2 TIP3 472 -13.060 -10.837 3.319 0.00 0.00 WAT1 ATOM 3272 H1 TIP3 472 -13.254 -11.585 2.754 0.00 0.00 WAT1 ATOM 3273 H2 TIP3 472 -13.099 -10.079 2.735 0.00 0.00 WAT1 ATOM 3274 OH2 TIP3 473 -26.815 -10.690 -0.733 0.00 0.00 WAT1 ATOM 3275 H1 TIP3 473 -27.083 -10.403 0.140 0.00 0.00 WAT1 ATOM 3276 H2 TIP3 473 -26.044 -11.236 -0.581 0.00 0.00 WAT1 ATOM 3277 OH2 TIP3 474 -13.842 -12.086 15.469 0.00 0.00 WAT1 ATOM 3278 H1 TIP3 474 -14.624 -12.272 14.949 0.00 0.00 WAT1 ATOM 3279 H2 TIP3 474 -13.914 -11.157 15.686 0.00 0.00 WAT1 ATOM 3280 OH2 TIP3 475 -18.292 0.656 -51.069 0.00 0.00 WAT1 ATOM 3281 H1 TIP3 475 -18.203 1.600 -51.201 0.00 0.00 WAT1 ATOM 3282 H2 TIP3 475 -18.931 0.381 -51.727 0.00 0.00 WAT1 ATOM 3283 OH2 TIP3 476 -15.653 2.850 -49.348 0.00 0.00 WAT1 ATOM 3284 H1 TIP3 476 -16.094 2.130 -48.898 0.00 0.00 WAT1 ATOM 3285 H2 TIP3 476 -15.666 3.571 -48.718 0.00 0.00 WAT1 ATOM 3286 OH2 TIP3 477 -26.067 3.976 -47.522 0.00 0.00 WAT1 ATOM 3287 H1 TIP3 477 -26.437 3.174 -47.891 0.00 0.00 WAT1 ATOM 3288 H2 TIP3 477 -25.126 3.807 -47.475 0.00 0.00 WAT1 ATOM 3289 OH2 TIP3 478 -29.457 -2.364 -52.129 0.00 0.00 WAT1 ATOM 3290 H1 TIP3 478 -29.905 -1.518 -52.147 0.00 0.00 WAT1 ATOM 3291 H2 TIP3 478 -30.018 -2.944 -52.644 0.00 0.00 WAT1 ATOM 3292 OH2 TIP3 479 -28.747 -0.202 -50.003 0.00 0.00 WAT1 ATOM 3293 H1 TIP3 479 -28.533 -0.972 -49.476 0.00 0.00 WAT1 ATOM 3294 H2 TIP3 479 -28.009 -0.113 -50.606 0.00 0.00 WAT1 ATOM 3295 OH2 TIP3 480 -18.542 7.955 -49.136 0.00 0.00 WAT1 ATOM 3296 H1 TIP3 480 -17.922 7.278 -49.409 0.00 0.00 WAT1 ATOM 3297 H2 TIP3 480 -18.750 7.737 -48.228 0.00 0.00 WAT1 ATOM 3298 OH2 TIP3 481 -12.307 -6.055 -46.383 0.00 0.00 WAT1 ATOM 3299 H1 TIP3 481 -12.258 -5.445 -45.647 0.00 0.00 WAT1 ATOM 3300 H2 TIP3 481 -11.881 -5.594 -47.106 0.00 0.00 WAT1 ATOM 3301 OH2 TIP3 482 -17.829 -3.262 -46.916 0.00 0.00 WAT1 ATOM 3302 H1 TIP3 482 -17.686 -4.209 -46.896 0.00 0.00 WAT1 ATOM 3303 H2 TIP3 482 -17.935 -3.055 -47.845 0.00 0.00 WAT1 ATOM 3304 OH2 TIP3 483 -24.674 -5.161 -49.644 0.00 0.00 WAT1 ATOM 3305 H1 TIP3 483 -24.631 -4.301 -50.062 0.00 0.00 WAT1 ATOM 3306 H2 TIP3 483 -25.132 -5.713 -50.277 0.00 0.00 WAT1 ATOM 3307 OH2 TIP3 484 -28.054 -2.764 -48.882 0.00 0.00 WAT1 ATOM 3308 H1 TIP3 484 -27.400 -3.314 -48.450 0.00 0.00 WAT1 ATOM 3309 H2 TIP3 484 -28.030 -3.038 -49.798 0.00 0.00 WAT1 ATOM 3310 OH2 TIP3 485 -11.915 -4.577 -44.147 0.00 0.00 WAT1 ATOM 3311 H1 TIP3 485 -12.604 -3.919 -44.242 0.00 0.00 WAT1 ATOM 3312 H2 TIP3 485 -11.900 -4.774 -43.210 0.00 0.00 WAT1 ATOM 3313 OH2 TIP3 486 -25.864 -6.243 -45.570 0.00 0.00 WAT1 ATOM 3314 H1 TIP3 486 -26.083 -5.713 -46.336 0.00 0.00 WAT1 ATOM 3315 H2 TIP3 486 -26.532 -6.016 -44.922 0.00 0.00 WAT1 ATOM 3316 OH2 TIP3 487 -18.495 3.257 -52.026 0.00 0.00 WAT1 ATOM 3317 H1 TIP3 487 -18.791 2.935 -52.877 0.00 0.00 WAT1 ATOM 3318 H2 TIP3 487 -18.819 4.157 -51.984 0.00 0.00 WAT1 ATOM 3319 OH2 TIP3 488 -15.188 -5.739 -49.262 0.00 0.00 WAT1 ATOM 3320 H1 TIP3 488 -15.403 -6.505 -48.730 0.00 0.00 WAT1 ATOM 3321 H2 TIP3 488 -14.532 -5.267 -48.749 0.00 0.00 WAT1 ATOM 3322 OH2 TIP3 489 -26.270 -4.351 -47.617 0.00 0.00 WAT1 ATOM 3323 H1 TIP3 489 -25.657 -3.718 -47.244 0.00 0.00 WAT1 ATOM 3324 H2 TIP3 489 -25.758 -4.823 -48.274 0.00 0.00 WAT1 ATOM 3325 OH2 TIP3 490 -15.141 4.690 -47.000 0.00 0.00 WAT1 ATOM 3326 H1 TIP3 490 -16.083 4.748 -46.839 0.00 0.00 WAT1 ATOM 3327 H2 TIP3 490 -14.865 5.596 -47.137 0.00 0.00 WAT1 ATOM 3328 OH2 TIP3 491 -14.841 -7.024 -45.583 0.00 0.00 WAT1 ATOM 3329 H1 TIP3 491 -15.577 -6.413 -45.621 0.00 0.00 WAT1 ATOM 3330 H2 TIP3 491 -14.157 -6.609 -46.109 0.00 0.00 WAT1 ATOM 3331 OH2 TIP3 492 -21.838 -8.937 -48.117 0.00 0.00 WAT1 ATOM 3332 H1 TIP3 492 -21.955 -9.886 -48.171 0.00 0.00 WAT1 ATOM 3333 H2 TIP3 492 -22.693 -8.605 -47.844 0.00 0.00 WAT1 ATOM 3334 OH2 TIP3 493 -16.889 6.471 -50.375 0.00 0.00 WAT1 ATOM 3335 H1 TIP3 493 -16.464 5.764 -50.860 0.00 0.00 WAT1 ATOM 3336 H2 TIP3 493 -16.572 7.272 -50.792 0.00 0.00 WAT1 ATOM 3337 OH2 TIP3 494 -15.730 4.372 -51.866 0.00 0.00 WAT1 ATOM 3338 H1 TIP3 494 -15.987 3.682 -52.478 0.00 0.00 WAT1 ATOM 3339 H2 TIP3 494 -15.659 3.929 -51.021 0.00 0.00 WAT1 ATOM 3340 OH2 TIP3 495 -14.044 2.938 -43.389 0.00 0.00 WAT1 ATOM 3341 H1 TIP3 495 -13.904 2.347 -44.128 0.00 0.00 WAT1 ATOM 3342 H2 TIP3 495 -13.876 3.811 -43.745 0.00 0.00 WAT1 ATOM 3343 OH2 TIP3 496 -19.571 -0.100 -53.617 0.00 0.00 WAT1 ATOM 3344 H1 TIP3 496 -20.283 0.435 -53.968 0.00 0.00 WAT1 ATOM 3345 H2 TIP3 496 -18.880 -0.044 -54.277 0.00 0.00 WAT1 ATOM 3346 OH2 TIP3 497 -12.202 -0.722 -45.323 0.00 0.00 WAT1 ATOM 3347 H1 TIP3 497 -12.854 -0.027 -45.234 0.00 0.00 WAT1 ATOM 3348 H2 TIP3 497 -11.737 -0.512 -46.133 0.00 0.00 WAT1 ATOM 3349 OH2 TIP3 498 -19.568 6.009 -51.545 0.00 0.00 WAT1 ATOM 3350 H1 TIP3 498 -19.094 6.304 -50.767 0.00 0.00 WAT1 ATOM 3351 H2 TIP3 498 -20.131 6.747 -51.778 0.00 0.00 WAT1 ATOM 3352 OH2 TIP3 499 -25.530 -0.190 -53.193 0.00 0.00 WAT1 ATOM 3353 H1 TIP3 499 -25.822 0.578 -53.684 0.00 0.00 WAT1 ATOM 3354 H2 TIP3 499 -26.204 -0.850 -53.356 0.00 0.00 WAT1 ATOM 3355 OH2 TIP3 500 -29.437 2.173 -44.378 0.00 0.00 WAT1 ATOM 3356 H1 TIP3 500 -29.938 2.145 -45.193 0.00 0.00 WAT1 ATOM 3357 H2 TIP3 500 -29.431 1.267 -44.068 0.00 0.00 WAT1 ATOM 3358 OH2 TIP3 501 -29.686 4.953 -47.494 0.00 0.00 WAT1 ATOM 3359 H1 TIP3 501 -28.740 4.809 -47.513 0.00 0.00 WAT1 ATOM 3360 H2 TIP3 501 -29.799 5.737 -46.957 0.00 0.00 WAT1 ATOM 3361 OH2 TIP3 502 -11.489 5.619 -41.812 0.00 0.00 WAT1 ATOM 3362 H1 TIP3 502 -11.538 4.664 -41.849 0.00 0.00 WAT1 ATOM 3363 H2 TIP3 502 -12.315 5.887 -41.410 0.00 0.00 WAT1 ATOM 3364 OH2 TIP3 503 -14.337 -2.888 -41.332 0.00 0.00 WAT1 ATOM 3365 H1 TIP3 503 -14.744 -2.407 -42.052 0.00 0.00 WAT1 ATOM 3366 H2 TIP3 503 -14.296 -3.793 -41.639 0.00 0.00 WAT1 ATOM 3367 OH2 TIP3 504 -27.188 3.496 -43.335 0.00 0.00 WAT1 ATOM 3368 H1 TIP3 504 -26.971 3.135 -42.475 0.00 0.00 WAT1 ATOM 3369 H2 TIP3 504 -28.043 3.122 -43.545 0.00 0.00 WAT1 ATOM 3370 OH2 TIP3 505 -24.569 -8.034 -47.339 0.00 0.00 WAT1 ATOM 3371 H1 TIP3 505 -25.430 -8.121 -47.747 0.00 0.00 WAT1 ATOM 3372 H2 TIP3 505 -24.591 -7.178 -46.912 0.00 0.00 WAT1 ATOM 3373 OH2 TIP3 506 -24.481 -2.847 -51.332 0.00 0.00 WAT1 ATOM 3374 H1 TIP3 506 -25.374 -3.188 -51.391 0.00 0.00 WAT1 ATOM 3375 H2 TIP3 506 -24.030 -3.224 -52.088 0.00 0.00 WAT1 ATOM 3376 OH2 TIP3 507 -18.945 -2.431 -52.515 0.00 0.00 WAT1 ATOM 3377 H1 TIP3 507 -19.354 -1.616 -52.807 0.00 0.00 WAT1 ATOM 3378 H2 TIP3 507 -18.225 -2.571 -53.130 0.00 0.00 WAT1 ATOM 3379 OH2 TIP3 508 -17.941 -2.985 -49.701 0.00 0.00 WAT1 ATOM 3380 H1 TIP3 508 -18.136 -2.380 -50.416 0.00 0.00 WAT1 ATOM 3381 H2 TIP3 508 -17.759 -3.819 -50.136 0.00 0.00 WAT1 ATOM 3382 OH2 TIP3 509 -21.899 -5.420 -50.246 0.00 0.00 WAT1 ATOM 3383 H1 TIP3 509 -22.810 -5.363 -49.957 0.00 0.00 WAT1 ATOM 3384 H2 TIP3 509 -21.394 -5.480 -49.435 0.00 0.00 WAT1 ATOM 3385 OH2 TIP3 510 -27.071 -3.791 -51.419 0.00 0.00 WAT1 ATOM 3386 H1 TIP3 510 -27.960 -3.691 -51.759 0.00 0.00 WAT1 ATOM 3387 H2 TIP3 510 -26.775 -4.633 -51.765 0.00 0.00 WAT1 ATOM 3388 OH2 TIP3 511 -23.418 -3.791 -53.763 0.00 0.00 WAT1 ATOM 3389 H1 TIP3 511 -22.486 -3.662 -53.585 0.00 0.00 WAT1 ATOM 3390 H2 TIP3 511 -23.633 -3.121 -54.412 0.00 0.00 WAT1 ATOM 3391 OH2 TIP3 512 -17.494 -6.185 -46.982 0.00 0.00 WAT1 ATOM 3392 H1 TIP3 512 -18.171 -6.054 -46.318 0.00 0.00 WAT1 ATOM 3393 H2 TIP3 512 -17.980 -6.340 -47.792 0.00 0.00 WAT1 ATOM 3394 OH2 TIP3 513 -14.207 9.487 -40.705 0.00 0.00 WAT1 ATOM 3395 H1 TIP3 513 -14.007 9.911 -41.540 0.00 0.00 WAT1 ATOM 3396 H2 TIP3 513 -13.551 9.830 -40.098 0.00 0.00 WAT1 ATOM 3397 OH2 TIP3 514 -26.609 1.961 -41.097 0.00 0.00 WAT1 ATOM 3398 H1 TIP3 514 -25.876 2.215 -40.536 0.00 0.00 WAT1 ATOM 3399 H2 TIP3 514 -27.389 2.165 -40.582 0.00 0.00 WAT1 ATOM 3400 OH2 TIP3 515 -25.577 -6.496 -51.941 0.00 0.00 WAT1 ATOM 3401 H1 TIP3 515 -25.894 -7.398 -51.976 0.00 0.00 WAT1 ATOM 3402 H2 TIP3 515 -24.796 -6.494 -52.493 0.00 0.00 WAT1 ATOM 3403 OH2 TIP3 516 -21.409 1.969 -54.260 0.00 0.00 WAT1 ATOM 3404 H1 TIP3 516 -22.153 1.462 -54.583 0.00 0.00 WAT1 ATOM 3405 H2 TIP3 516 -21.543 2.018 -53.314 0.00 0.00 WAT1 ATOM 3406 OH2 TIP3 517 -14.259 1.102 -45.474 0.00 0.00 WAT1 ATOM 3407 H1 TIP3 517 -13.617 1.559 -46.017 0.00 0.00 WAT1 ATOM 3408 H2 TIP3 517 -15.089 1.215 -45.936 0.00 0.00 WAT1 ATOM 3409 OH2 TIP3 518 -29.276 -0.275 -43.176 0.00 0.00 WAT1 ATOM 3410 H1 TIP3 518 -29.053 -0.693 -42.344 0.00 0.00 WAT1 ATOM 3411 H2 TIP3 518 -29.878 -0.888 -43.598 0.00 0.00 WAT1 ATOM 3412 OH2 TIP3 519 -11.944 2.660 -41.869 0.00 0.00 WAT1 ATOM 3413 H1 TIP3 519 -12.796 2.898 -42.236 0.00 0.00 WAT1 ATOM 3414 H2 TIP3 519 -11.354 2.643 -42.622 0.00 0.00 WAT1 ATOM 3415 OH2 TIP3 520 -16.452 0.454 -47.219 0.00 0.00 WAT1 ATOM 3416 H1 TIP3 520 -17.380 0.222 -47.246 0.00 0.00 WAT1 ATOM 3417 H2 TIP3 520 -16.001 -0.323 -47.549 0.00 0.00 WAT1 ATOM 3418 OH2 TIP3 521 -23.909 4.782 -51.086 0.00 0.00 WAT1 ATOM 3419 H1 TIP3 521 -23.382 5.555 -51.287 0.00 0.00 WAT1 ATOM 3420 H2 TIP3 521 -24.789 5.007 -51.388 0.00 0.00 WAT1 ATOM 3421 OH2 TIP3 522 -22.482 2.445 -51.510 0.00 0.00 WAT1 ATOM 3422 H1 TIP3 522 -22.723 3.370 -51.468 0.00 0.00 WAT1 ATOM 3423 H2 TIP3 522 -23.222 1.986 -51.114 0.00 0.00 WAT1 ATOM 3424 OH2 TIP3 523 -23.798 7.467 -51.965 0.00 0.00 WAT1 ATOM 3425 H1 TIP3 523 -24.748 7.572 -51.913 0.00 0.00 WAT1 ATOM 3426 H2 TIP3 523 -23.447 8.287 -51.620 0.00 0.00 WAT1 ATOM 3427 OH2 TIP3 524 -27.642 -5.522 -43.618 0.00 0.00 WAT1 ATOM 3428 H1 TIP3 524 -28.535 -5.183 -43.685 0.00 0.00 WAT1 ATOM 3429 H2 TIP3 524 -27.741 -6.377 -43.200 0.00 0.00 WAT1 ATOM 3430 OH2 TIP3 525 -27.991 6.283 -45.183 0.00 0.00 WAT1 ATOM 3431 H1 TIP3 525 -27.774 5.351 -45.214 0.00 0.00 WAT1 ATOM 3432 H2 TIP3 525 -27.744 6.557 -44.299 0.00 0.00 WAT1 ATOM 3433 OH2 TIP3 526 -20.923 -4.401 -52.796 0.00 0.00 WAT1 ATOM 3434 H1 TIP3 526 -20.111 -3.897 -52.750 0.00 0.00 WAT1 ATOM 3435 H2 TIP3 526 -21.168 -4.546 -51.882 0.00 0.00 WAT1 ATOM 3436 OH2 TIP3 527 -20.039 -7.320 -51.858 0.00 0.00 WAT1 ATOM 3437 H1 TIP3 527 -20.386 -6.702 -51.213 0.00 0.00 WAT1 ATOM 3438 H2 TIP3 527 -19.381 -6.819 -52.339 0.00 0.00 WAT1 ATOM 3439 OH2 TIP3 528 -14.183 -5.508 -42.776 0.00 0.00 WAT1 ATOM 3440 H1 TIP3 528 -15.099 -5.245 -42.864 0.00 0.00 WAT1 ATOM 3441 H2 TIP3 528 -13.847 -5.511 -43.673 0.00 0.00 WAT1 ATOM 3442 OH2 TIP3 529 -15.581 -1.757 -48.680 0.00 0.00 WAT1 ATOM 3443 H1 TIP3 529 -16.378 -2.172 -49.009 0.00 0.00 WAT1 ATOM 3444 H2 TIP3 529 -15.136 -2.448 -48.189 0.00 0.00 WAT1 ATOM 3445 OH2 TIP3 530 -14.494 7.499 -47.058 0.00 0.00 WAT1 ATOM 3446 H1 TIP3 530 -14.650 8.177 -47.715 0.00 0.00 WAT1 ATOM 3447 H2 TIP3 530 -13.562 7.571 -46.855 0.00 0.00 WAT1 ATOM 3448 OH2 TIP3 531 -28.780 8.170 -40.830 0.00 0.00 WAT1 ATOM 3449 H1 TIP3 531 -28.240 7.953 -40.071 0.00 0.00 WAT1 ATOM 3450 H2 TIP3 531 -29.261 7.364 -41.020 0.00 0.00 WAT1 ATOM 3451 OH2 TIP3 532 -28.873 1.980 -39.876 0.00 0.00 WAT1 ATOM 3452 H1 TIP3 532 -28.729 1.078 -40.162 0.00 0.00 WAT1 ATOM 3453 H2 TIP3 532 -29.646 2.266 -40.364 0.00 0.00 WAT1 ATOM 3454 OH2 TIP3 533 -28.041 -0.820 -40.456 0.00 0.00 WAT1 ATOM 3455 H1 TIP3 533 -27.633 -1.677 -40.577 0.00 0.00 WAT1 ATOM 3456 H2 TIP3 533 -28.301 -0.805 -39.535 0.00 0.00 WAT1 ATOM 3457 OH2 TIP3 534 -23.383 0.296 -55.438 0.00 0.00 WAT1 ATOM 3458 H1 TIP3 534 -23.842 -0.188 -54.752 0.00 0.00 WAT1 ATOM 3459 H2 TIP3 534 -23.128 -0.372 -56.074 0.00 0.00 WAT1 ATOM 3460 OH2 TIP3 535 -25.276 -3.258 -40.088 0.00 0.00 WAT1 ATOM 3461 H1 TIP3 535 -26.043 -3.790 -40.298 0.00 0.00 WAT1 ATOM 3462 H2 TIP3 535 -24.597 -3.568 -40.687 0.00 0.00 WAT1 ATOM 3463 OH2 TIP3 536 -27.095 -5.337 -40.383 0.00 0.00 WAT1 ATOM 3464 H1 TIP3 536 -26.884 -6.044 -40.994 0.00 0.00 WAT1 ATOM 3465 H2 TIP3 536 -27.207 -5.775 -39.539 0.00 0.00 WAT1 ATOM 3466 OH2 TIP3 537 -12.215 7.716 -43.907 0.00 0.00 WAT1 ATOM 3467 H1 TIP3 537 -12.702 6.981 -44.278 0.00 0.00 WAT1 ATOM 3468 H2 TIP3 537 -11.666 7.323 -43.229 0.00 0.00 WAT1 ATOM 3469 OH2 TIP3 538 -13.764 3.506 -39.269 0.00 0.00 WAT1 ATOM 3470 H1 TIP3 538 -14.630 3.401 -38.875 0.00 0.00 WAT1 ATOM 3471 H2 TIP3 538 -13.388 4.265 -38.822 0.00 0.00 WAT1 ATOM 3472 OH2 TIP3 539 -12.310 2.601 -46.983 0.00 0.00 WAT1 ATOM 3473 H1 TIP3 539 -11.476 2.223 -47.264 0.00 0.00 WAT1 ATOM 3474 H2 TIP3 539 -12.198 3.544 -47.102 0.00 0.00 WAT1 ATOM 3475 OH2 TIP3 540 -13.823 5.479 -44.676 0.00 0.00 WAT1 ATOM 3476 H1 TIP3 540 -14.471 5.804 -44.051 0.00 0.00 WAT1 ATOM 3477 H2 TIP3 540 -14.341 5.039 -45.351 0.00 0.00 WAT1 ATOM 3478 OH2 TIP3 541 -29.247 0.415 -47.358 0.00 0.00 WAT1 ATOM 3479 H1 TIP3 541 -29.063 0.333 -48.293 0.00 0.00 WAT1 ATOM 3480 H2 TIP3 541 -28.398 0.291 -46.934 0.00 0.00 WAT1 ATOM 3481 OH2 TIP3 542 -13.426 0.307 -41.729 0.00 0.00 WAT1 ATOM 3482 H1 TIP3 542 -12.843 -0.427 -41.538 0.00 0.00 WAT1 ATOM 3483 H2 TIP3 542 -12.862 1.079 -41.683 0.00 0.00 WAT1 ATOM 3484 OH2 TIP3 543 -11.929 -1.790 -41.045 0.00 0.00 WAT1 ATOM 3485 H1 TIP3 543 -12.792 -2.169 -41.210 0.00 0.00 WAT1 ATOM 3486 H2 TIP3 543 -11.325 -2.529 -41.119 0.00 0.00 WAT1 ATOM 3487 OH2 TIP3 544 -13.960 -3.499 -47.470 0.00 0.00 WAT1 ATOM 3488 H1 TIP3 544 -13.027 -3.287 -47.504 0.00 0.00 WAT1 ATOM 3489 H2 TIP3 544 -14.195 -3.397 -46.547 0.00 0.00 WAT1 ATOM 3490 OH2 TIP3 545 -13.931 -2.762 -44.694 0.00 0.00 WAT1 ATOM 3491 H1 TIP3 545 -14.774 -2.494 -44.328 0.00 0.00 WAT1 ATOM 3492 H2 TIP3 545 -13.488 -1.940 -44.905 0.00 0.00 WAT1 ATOM 3493 OH2 TIP3 546 -28.428 -6.002 -48.326 0.00 0.00 WAT1 ATOM 3494 H1 TIP3 546 -27.983 -6.794 -48.024 0.00 0.00 WAT1 ATOM 3495 H2 TIP3 546 -27.962 -5.286 -47.895 0.00 0.00 WAT1 ATOM 3496 OH2 TIP3 547 -30.124 -3.003 -47.257 0.00 0.00 WAT1 ATOM 3497 H1 TIP3 547 -29.632 -3.224 -48.047 0.00 0.00 WAT1 ATOM 3498 H2 TIP3 547 -29.762 -2.162 -46.976 0.00 0.00 WAT1 ATOM 3499 OH2 TIP3 548 -15.040 8.239 -51.257 0.00 0.00 WAT1 ATOM 3500 H1 TIP3 548 -14.387 7.892 -51.865 0.00 0.00 WAT1 ATOM 3501 H2 TIP3 548 -14.529 8.728 -50.611 0.00 0.00 WAT1 ATOM 3502 OH2 TIP3 549 -27.655 5.168 -40.714 0.00 0.00 WAT1 ATOM 3503 H1 TIP3 549 -28.476 5.343 -41.174 0.00 0.00 WAT1 ATOM 3504 H2 TIP3 549 -27.907 5.095 -39.793 0.00 0.00 WAT1 ATOM 3505 OH2 TIP3 550 -27.299 9.399 -44.408 0.00 0.00 WAT1 ATOM 3506 H1 TIP3 550 -28.019 9.839 -44.859 0.00 0.00 WAT1 ATOM 3507 H2 TIP3 550 -27.665 9.148 -43.559 0.00 0.00 WAT1 ATOM 3508 OH2 TIP3 551 -24.832 8.999 -45.378 0.00 0.00 WAT1 ATOM 3509 H1 TIP3 551 -25.697 9.071 -44.974 0.00 0.00 WAT1 ATOM 3510 H2 TIP3 551 -24.887 9.546 -46.162 0.00 0.00 WAT1 ATOM 3511 OH2 TIP3 552 -15.189 9.335 -44.962 0.00 0.00 WAT1 ATOM 3512 H1 TIP3 552 -15.371 10.251 -45.173 0.00 0.00 WAT1 ATOM 3513 H2 TIP3 552 -15.013 8.925 -45.809 0.00 0.00 WAT1 ATOM 3514 OH2 TIP3 553 -25.743 6.732 -48.842 0.00 0.00 WAT1 ATOM 3515 H1 TIP3 553 -25.962 5.816 -48.673 0.00 0.00 WAT1 ATOM 3516 H2 TIP3 553 -24.919 6.872 -48.376 0.00 0.00 WAT1 ATOM 3517 OH2 TIP3 554 -23.206 7.202 -47.994 0.00 0.00 WAT1 ATOM 3518 H1 TIP3 554 -22.993 6.314 -48.281 0.00 0.00 WAT1 ATOM 3519 H2 TIP3 554 -23.141 7.168 -47.039 0.00 0.00 WAT1 ATOM 3520 OH2 TIP3 555 -19.697 -7.134 -48.849 0.00 0.00 WAT1 ATOM 3521 H1 TIP3 555 -20.372 -7.763 -48.594 0.00 0.00 WAT1 ATOM 3522 H2 TIP3 555 -19.133 -7.618 -49.452 0.00 0.00 WAT1 ATOM 3523 OH2 TIP3 556 -14.555 -9.027 -48.737 0.00 0.00 WAT1 ATOM 3524 H1 TIP3 556 -13.951 -8.479 -49.238 0.00 0.00 WAT1 ATOM 3525 H2 TIP3 556 -15.424 -8.707 -48.977 0.00 0.00 WAT1 ATOM 3526 OH2 TIP3 557 -12.828 -7.888 -50.403 0.00 0.00 WAT1 ATOM 3527 H1 TIP3 557 -12.216 -8.402 -50.930 0.00 0.00 WAT1 ATOM 3528 H2 TIP3 557 -12.445 -7.010 -50.380 0.00 0.00 WAT1 ATOM 3529 OH2 TIP3 558 -22.791 -8.573 -51.214 0.00 0.00 WAT1 ATOM 3530 H1 TIP3 558 -21.917 -8.185 -51.244 0.00 0.00 WAT1 ATOM 3531 H2 TIP3 558 -22.927 -8.788 -50.291 0.00 0.00 WAT1 ATOM 3532 OH2 TIP3 559 -17.234 -8.543 -49.565 0.00 0.00 WAT1 ATOM 3533 H1 TIP3 559 -17.158 -8.448 -50.514 0.00 0.00 WAT1 ATOM 3534 H2 TIP3 559 -17.510 -9.451 -49.436 0.00 0.00 WAT1 ATOM 3535 OH2 TIP3 560 -27.413 -7.986 -41.510 0.00 0.00 WAT1 ATOM 3536 H1 TIP3 560 -27.779 -8.751 -41.067 0.00 0.00 WAT1 ATOM 3537 H2 TIP3 560 -26.500 -7.957 -41.223 0.00 0.00 WAT1 ATOM 3538 OH2 TIP3 561 -25.440 -8.635 -39.974 0.00 0.00 WAT1 ATOM 3539 H1 TIP3 561 -24.541 -8.909 -40.159 0.00 0.00 WAT1 ATOM 3540 H2 TIP3 561 -25.826 -9.378 -39.510 0.00 0.00 WAT1 ATOM 3541 OH2 TIP3 562 -13.842 6.770 -41.099 0.00 0.00 WAT1 ATOM 3542 H1 TIP3 562 -14.624 6.584 -41.619 0.00 0.00 WAT1 ATOM 3543 H2 TIP3 562 -13.914 7.699 -40.882 0.00 0.00 WAT1 ATOM 3544 OH2 TIP3 563 -12.307 -6.055 -27.527 0.00 0.00 WAT1 ATOM 3545 H1 TIP3 563 -12.258 -5.445 -26.791 0.00 0.00 WAT1 ATOM 3546 H2 TIP3 563 -11.881 -5.594 -28.250 0.00 0.00 WAT1 ATOM 3547 OH2 TIP3 564 -21.838 -8.937 -29.261 0.00 0.00 WAT1 ATOM 3548 H1 TIP3 564 -21.955 -9.886 -29.315 0.00 0.00 WAT1 ATOM 3549 H2 TIP3 564 -22.693 -8.605 -28.988 0.00 0.00 WAT1 ATOM 3550 OH2 TIP3 565 -15.730 4.372 -33.010 0.00 0.00 WAT1 ATOM 3551 H1 TIP3 565 -15.987 3.682 -33.622 0.00 0.00 WAT1 ATOM 3552 H2 TIP3 565 -15.659 3.929 -32.165 0.00 0.00 WAT1 ATOM 3553 OH2 TIP3 566 -16.165 0.110 -33.809 0.00 0.00 WAT1 ATOM 3554 H1 TIP3 566 -16.897 0.338 -33.236 0.00 0.00 WAT1 ATOM 3555 H2 TIP3 566 -15.718 -0.604 -33.354 0.00 0.00 WAT1 ATOM 3556 OH2 TIP3 567 -25.530 -0.190 -34.337 0.00 0.00 WAT1 ATOM 3557 H1 TIP3 567 -25.822 0.578 -34.828 0.00 0.00 WAT1 ATOM 3558 H2 TIP3 567 -26.204 -0.850 -34.500 0.00 0.00 WAT1 ATOM 3559 OH2 TIP3 568 -12.406 5.388 -37.934 0.00 0.00 WAT1 ATOM 3560 H1 TIP3 568 -12.333 6.327 -37.764 0.00 0.00 WAT1 ATOM 3561 H2 TIP3 568 -11.501 5.083 -37.991 0.00 0.00 WAT1 ATOM 3562 OH2 TIP3 569 -16.994 8.119 -37.271 0.00 0.00 WAT1 ATOM 3563 H1 TIP3 569 -16.619 7.375 -37.742 0.00 0.00 WAT1 ATOM 3564 H2 TIP3 569 -16.990 7.849 -36.353 0.00 0.00 WAT1 ATOM 3565 OH2 TIP3 570 -17.325 8.045 -34.522 0.00 0.00 WAT1 ATOM 3566 H1 TIP3 570 -18.260 8.145 -34.343 0.00 0.00 WAT1 ATOM 3567 H2 TIP3 570 -17.045 7.336 -33.944 0.00 0.00 WAT1 ATOM 3568 OH2 TIP3 571 -24.569 -8.034 -28.483 0.00 0.00 WAT1 ATOM 3569 H1 TIP3 571 -25.430 -8.121 -28.891 0.00 0.00 WAT1 ATOM 3570 H2 TIP3 571 -24.591 -7.178 -28.056 0.00 0.00 WAT1 ATOM 3571 OH2 TIP3 572 -18.945 -2.431 -33.659 0.00 0.00 WAT1 ATOM 3572 H1 TIP3 572 -19.354 -1.616 -33.951 0.00 0.00 WAT1 ATOM 3573 H2 TIP3 572 -18.225 -2.571 -34.274 0.00 0.00 WAT1 ATOM 3574 OH2 TIP3 573 -17.941 -2.985 -30.845 0.00 0.00 WAT1 ATOM 3575 H1 TIP3 573 -18.136 -2.380 -31.560 0.00 0.00 WAT1 ATOM 3576 H2 TIP3 573 -17.759 -3.819 -31.280 0.00 0.00 WAT1 ATOM 3577 OH2 TIP3 574 -30.120 -5.632 -31.671 0.00 0.00 WAT1 ATOM 3578 H1 TIP3 574 -29.489 -5.661 -30.951 0.00 0.00 WAT1 ATOM 3579 H2 TIP3 574 -29.670 -6.057 -32.401 0.00 0.00 WAT1 ATOM 3580 OH2 TIP3 575 -28.845 -4.886 -36.247 0.00 0.00 WAT1 ATOM 3581 H1 TIP3 575 -28.371 -4.295 -36.832 0.00 0.00 WAT1 ATOM 3582 H2 TIP3 575 -29.563 -4.355 -35.900 0.00 0.00 WAT1 ATOM 3583 OH2 TIP3 576 -23.418 -3.791 -34.907 0.00 0.00 WAT1 ATOM 3584 H1 TIP3 576 -22.486 -3.662 -34.729 0.00 0.00 WAT1 ATOM 3585 H2 TIP3 576 -23.633 -3.121 -35.556 0.00 0.00 WAT1 ATOM 3586 OH2 TIP3 577 -24.744 -2.596 -37.340 0.00 0.00 WAT1 ATOM 3587 H1 TIP3 577 -25.286 -2.976 -38.031 0.00 0.00 WAT1 ATOM 3588 H2 TIP3 577 -23.910 -2.402 -37.769 0.00 0.00 WAT1 ATOM 3589 OH2 TIP3 578 -25.577 -6.496 -33.085 0.00 0.00 WAT1 ATOM 3590 H1 TIP3 578 -25.894 -7.398 -33.120 0.00 0.00 WAT1 ATOM 3591 H2 TIP3 578 -24.796 -6.494 -33.637 0.00 0.00 WAT1 ATOM 3592 OH2 TIP3 579 -11.908 -3.140 -35.850 0.00 0.00 WAT1 ATOM 3593 H1 TIP3 579 -12.462 -3.536 -36.522 0.00 0.00 WAT1 ATOM 3594 H2 TIP3 579 -11.807 -2.230 -36.127 0.00 0.00 WAT1 ATOM 3595 OH2 TIP3 580 -13.612 5.646 -35.385 0.00 0.00 WAT1 ATOM 3596 H1 TIP3 580 -13.985 4.820 -35.075 0.00 0.00 WAT1 ATOM 3597 H2 TIP3 580 -13.335 5.463 -36.282 0.00 0.00 WAT1 ATOM 3598 OH2 TIP3 581 -28.154 -0.356 -37.643 0.00 0.00 WAT1 ATOM 3599 H1 TIP3 581 -27.538 0.271 -37.264 0.00 0.00 WAT1 ATOM 3600 H2 TIP3 581 -29.016 -0.040 -37.372 0.00 0.00 WAT1 ATOM 3601 OH2 TIP3 582 -16.220 3.622 -37.564 0.00 0.00 WAT1 ATOM 3602 H1 TIP3 582 -15.867 3.242 -36.760 0.00 0.00 WAT1 ATOM 3603 H2 TIP3 582 -17.169 3.529 -37.478 0.00 0.00 WAT1 ATOM 3604 OH2 TIP3 583 -11.716 8.102 -37.363 0.00 0.00 WAT1 ATOM 3605 H1 TIP3 583 -10.973 8.688 -37.503 0.00 0.00 WAT1 ATOM 3606 H2 TIP3 583 -12.411 8.670 -37.030 0.00 0.00 WAT1 ATOM 3607 OH2 TIP3 584 -15.354 2.295 -35.338 0.00 0.00 WAT1 ATOM 3608 H1 TIP3 584 -15.631 1.567 -34.782 0.00 0.00 WAT1 ATOM 3609 H2 TIP3 584 -14.427 2.414 -35.132 0.00 0.00 WAT1 ATOM 3610 OH2 TIP3 585 -26.739 1.557 -36.151 0.00 0.00 WAT1 ATOM 3611 H1 TIP3 585 -27.425 1.909 -35.584 0.00 0.00 WAT1 ATOM 3612 H2 TIP3 585 -26.216 2.320 -36.397 0.00 0.00 WAT1 ATOM 3613 OH2 TIP3 586 -24.382 -6.257 -36.314 0.00 0.00 WAT1 ATOM 3614 H1 TIP3 586 -24.465 -5.368 -35.968 0.00 0.00 WAT1 ATOM 3615 H2 TIP3 586 -23.492 -6.522 -36.083 0.00 0.00 WAT1 ATOM 3616 OH2 TIP3 587 -15.581 -1.757 -29.824 0.00 0.00 WAT1 ATOM 3617 H1 TIP3 587 -16.378 -2.172 -30.153 0.00 0.00 WAT1 ATOM 3618 H2 TIP3 587 -15.136 -2.448 -29.333 0.00 0.00 WAT1 ATOM 3619 OH2 TIP3 588 -27.807 -3.165 -38.138 0.00 0.00 WAT1 ATOM 3620 H1 TIP3 588 -27.852 -2.226 -37.959 0.00 0.00 WAT1 ATOM 3621 H2 TIP3 588 -28.695 -3.401 -38.408 0.00 0.00 WAT1 ATOM 3622 OH2 TIP3 589 -26.999 -8.383 -29.465 0.00 0.00 WAT1 ATOM 3623 H1 TIP3 589 -27.228 -8.324 -30.392 0.00 0.00 WAT1 ATOM 3624 H2 TIP3 589 -27.442 -9.175 -29.158 0.00 0.00 WAT1 ATOM 3625 OH2 TIP3 590 -15.487 6.414 -38.745 0.00 0.00 WAT1 ATOM 3626 H1 TIP3 590 -15.204 5.620 -38.292 0.00 0.00 WAT1 ATOM 3627 H2 TIP3 590 -14.747 6.647 -39.306 0.00 0.00 WAT1 ATOM 3628 OH2 TIP3 591 -12.922 0.894 -38.874 0.00 0.00 WAT1 ATOM 3629 H1 TIP3 591 -13.195 0.469 -39.687 0.00 0.00 WAT1 ATOM 3630 H2 TIP3 591 -12.882 1.825 -39.091 0.00 0.00 WAT1 ATOM 3631 OH2 TIP3 592 -11.778 8.149 -27.973 0.00 0.00 WAT1 ATOM 3632 H1 TIP3 592 -11.800 8.334 -27.034 0.00 0.00 WAT1 ATOM 3633 H2 TIP3 592 -11.088 8.718 -28.314 0.00 0.00 WAT1 ATOM 3634 OH2 TIP3 593 -12.463 1.763 -34.899 0.00 0.00 WAT1 ATOM 3635 H1 TIP3 593 -11.613 2.184 -34.771 0.00 0.00 WAT1 ATOM 3636 H2 TIP3 593 -12.458 1.023 -34.291 0.00 0.00 WAT1 ATOM 3637 OH2 TIP3 594 -12.069 -0.184 -33.075 0.00 0.00 WAT1 ATOM 3638 H1 TIP3 594 -12.795 -0.663 -32.677 0.00 0.00 WAT1 ATOM 3639 H2 TIP3 594 -11.488 0.022 -32.343 0.00 0.00 WAT1 ATOM 3640 OH2 TIP3 595 -11.801 -0.283 -36.684 0.00 0.00 WAT1 ATOM 3641 H1 TIP3 595 -12.322 0.074 -37.403 0.00 0.00 WAT1 ATOM 3642 H2 TIP3 595 -11.834 0.392 -36.006 0.00 0.00 WAT1 ATOM 3643 OH2 TIP3 596 -13.452 -3.043 -38.133 0.00 0.00 WAT1 ATOM 3644 H1 TIP3 596 -13.355 -2.376 -38.813 0.00 0.00 WAT1 ATOM 3645 H2 TIP3 596 -13.592 -3.859 -38.615 0.00 0.00 WAT1 ATOM 3646 OH2 TIP3 597 -14.282 -1.663 -32.512 0.00 0.00 WAT1 ATOM 3647 H1 TIP3 597 -14.432 -2.608 -32.532 0.00 0.00 WAT1 ATOM 3648 H2 TIP3 597 -14.636 -1.382 -31.668 0.00 0.00 WAT1 ATOM 3649 OH2 TIP3 598 -14.572 -4.080 -34.050 0.00 0.00 WAT1 ATOM 3650 H1 TIP3 598 -14.292 -4.987 -33.925 0.00 0.00 WAT1 ATOM 3651 H2 TIP3 598 -13.813 -3.646 -34.439 0.00 0.00 WAT1 ATOM 3652 OH2 TIP3 599 -13.960 -3.499 -28.614 0.00 0.00 WAT1 ATOM 3653 H1 TIP3 599 -13.027 -3.287 -28.648 0.00 0.00 WAT1 ATOM 3654 H2 TIP3 599 -14.195 -3.397 -27.691 0.00 0.00 WAT1 ATOM 3655 OH2 TIP3 600 -29.811 -6.745 -34.346 0.00 0.00 WAT1 ATOM 3656 H1 TIP3 600 -30.736 -6.536 -34.476 0.00 0.00 WAT1 ATOM 3657 H2 TIP3 600 -29.357 -6.261 -35.036 0.00 0.00 WAT1 ATOM 3658 OH2 TIP3 601 -27.371 -8.500 -32.171 0.00 0.00 WAT1 ATOM 3659 H1 TIP3 601 -28.148 -8.734 -32.679 0.00 0.00 WAT1 ATOM 3660 H2 TIP3 601 -26.840 -9.297 -32.163 0.00 0.00 WAT1 ATOM 3661 OH2 TIP3 602 -22.791 -8.573 -32.358 0.00 0.00 WAT1 ATOM 3662 H1 TIP3 602 -21.917 -8.185 -32.388 0.00 0.00 WAT1 ATOM 3663 H2 TIP3 602 -22.927 -8.788 -31.435 0.00 0.00 WAT1 ATOM 3664 OH2 TIP3 603 -26.673 -6.786 -37.925 0.00 0.00 WAT1 ATOM 3665 H1 TIP3 603 -26.182 -7.416 -38.453 0.00 0.00 WAT1 ATOM 3666 H2 TIP3 603 -26.050 -6.490 -37.262 0.00 0.00 WAT1 ATOM 3667 OH2 TIP3 604 -13.060 8.019 -34.393 0.00 0.00 WAT1 ATOM 3668 H1 TIP3 604 -13.254 7.271 -34.958 0.00 0.00 WAT1 ATOM 3669 H2 TIP3 604 -13.099 8.777 -34.977 0.00 0.00 WAT1 ATOM 3670 OH2 TIP3 605 -26.815 8.166 -38.445 0.00 0.00 WAT1 ATOM 3671 H1 TIP3 605 -27.083 8.453 -37.572 0.00 0.00 WAT1 ATOM 3672 H2 TIP3 605 -26.044 7.620 -38.293 0.00 0.00 WAT1 ATOM 3673 OH2 TIP3 606 -23.273 3.908 -4.720 0.00 0.00 WAT1 ATOM 3674 H1 TIP3 606 -23.585 4.690 -4.264 0.00 0.00 WAT1 ATOM 3675 H2 TIP3 606 -23.923 3.755 -5.406 0.00 0.00 WAT1 ATOM 3676 OH2 TIP3 607 -25.034 5.980 -3.956 0.00 0.00 WAT1 ATOM 3677 H1 TIP3 607 -25.026 5.844 -4.904 0.00 0.00 WAT1 ATOM 3678 H2 TIP3 607 -25.950 5.862 -3.704 0.00 0.00 WAT1 ATOM 3679 OH2 TIP3 608 -29.686 4.953 -9.782 0.00 0.00 WAT1 ATOM 3680 H1 TIP3 608 -28.740 4.809 -9.801 0.00 0.00 WAT1 ATOM 3681 H2 TIP3 608 -29.799 5.737 -9.245 0.00 0.00 WAT1 ATOM 3682 OH2 TIP3 609 -11.489 5.619 -4.100 0.00 0.00 WAT1 ATOM 3683 H1 TIP3 609 -11.538 4.664 -4.137 0.00 0.00 WAT1 ATOM 3684 H2 TIP3 609 -12.315 5.887 -3.698 0.00 0.00 WAT1 ATOM 3685 OH2 TIP3 610 -14.207 9.487 -2.993 0.00 0.00 WAT1 ATOM 3686 H1 TIP3 610 -14.007 9.911 -3.828 0.00 0.00 WAT1 ATOM 3687 H2 TIP3 610 -13.551 9.830 -2.386 0.00 0.00 WAT1 ATOM 3688 OH2 TIP3 611 -26.609 1.961 -3.385 0.00 0.00 WAT1 ATOM 3689 H1 TIP3 611 -25.876 2.215 -2.824 0.00 0.00 WAT1 ATOM 3690 H2 TIP3 611 -27.389 2.165 -2.870 0.00 0.00 WAT1 ATOM 3691 OH2 TIP3 612 -15.764 7.245 -5.313 0.00 0.00 WAT1 ATOM 3692 H1 TIP3 612 -16.366 6.690 -5.808 0.00 0.00 WAT1 ATOM 3693 H2 TIP3 612 -15.483 7.912 -5.939 0.00 0.00 WAT1 ATOM 3694 OH2 TIP3 613 -27.991 6.283 -7.471 0.00 0.00 WAT1 ATOM 3695 H1 TIP3 613 -27.774 5.351 -7.502 0.00 0.00 WAT1 ATOM 3696 H2 TIP3 613 -27.744 6.557 -6.587 0.00 0.00 WAT1 ATOM 3697 OH2 TIP3 614 -24.183 7.089 -1.498 0.00 0.00 WAT1 ATOM 3698 H1 TIP3 614 -23.415 6.630 -1.157 0.00 0.00 WAT1 ATOM 3699 H2 TIP3 614 -24.204 6.863 -2.428 0.00 0.00 WAT1 ATOM 3700 OH2 TIP3 615 -28.873 1.980 -2.164 0.00 0.00 WAT1 ATOM 3701 H1 TIP3 615 -28.729 1.078 -2.450 0.00 0.00 WAT1 ATOM 3702 H2 TIP3 615 -29.646 2.266 -2.652 0.00 0.00 WAT1 ATOM 3703 OH2 TIP3 616 -28.041 -0.820 -2.744 0.00 0.00 WAT1 ATOM 3704 H1 TIP3 616 -27.633 -1.677 -2.865 0.00 0.00 WAT1 ATOM 3705 H2 TIP3 616 -28.301 -0.805 -1.823 0.00 0.00 WAT1 ATOM 3706 OH2 TIP3 617 -11.778 8.149 -9.117 0.00 0.00 WAT1 ATOM 3707 H1 TIP3 617 -11.800 8.334 -8.178 0.00 0.00 WAT1 ATOM 3708 H2 TIP3 617 -11.088 8.718 -9.458 0.00 0.00 WAT1 ATOM 3709 OH2 TIP3 618 -12.215 7.716 -6.195 0.00 0.00 WAT1 ATOM 3710 H1 TIP3 618 -12.702 6.981 -6.566 0.00 0.00 WAT1 ATOM 3711 H2 TIP3 618 -11.666 7.323 -5.517 0.00 0.00 WAT1 ATOM 3712 OH2 TIP3 619 -13.764 3.506 -1.557 0.00 0.00 WAT1 ATOM 3713 H1 TIP3 619 -14.630 3.401 -1.163 0.00 0.00 WAT1 ATOM 3714 H2 TIP3 619 -13.388 4.265 -1.110 0.00 0.00 WAT1 ATOM 3715 OH2 TIP3 620 -11.648 -8.782 -1.628 0.00 0.00 WAT1 ATOM 3716 H1 TIP3 620 -11.298 -9.436 -2.234 0.00 0.00 WAT1 ATOM 3717 H2 TIP3 620 -11.501 -7.945 -2.068 0.00 0.00 WAT1 ATOM 3718 OH2 TIP3 621 -27.655 5.168 -3.002 0.00 0.00 WAT1 ATOM 3719 H1 TIP3 621 -28.476 5.343 -3.462 0.00 0.00 WAT1 ATOM 3720 H2 TIP3 621 -27.907 5.095 -2.081 0.00 0.00 WAT1 ATOM 3721 OH2 TIP3 622 -20.390 7.542 -3.784 0.00 0.00 WAT1 ATOM 3722 H1 TIP3 622 -20.205 7.208 -2.906 0.00 0.00 WAT1 ATOM 3723 H2 TIP3 622 -19.543 7.851 -4.106 0.00 0.00 WAT1 ATOM 3724 OH2 TIP3 623 -18.045 8.827 -4.540 0.00 0.00 WAT1 ATOM 3725 H1 TIP3 623 -17.368 8.195 -4.780 0.00 0.00 WAT1 ATOM 3726 H2 TIP3 623 -17.723 9.229 -3.732 0.00 0.00 WAT1 ATOM 3727 OH2 TIP3 624 -27.299 9.399 -6.696 0.00 0.00 WAT1 ATOM 3728 H1 TIP3 624 -28.019 9.839 -7.147 0.00 0.00 WAT1 ATOM 3729 H2 TIP3 624 -27.665 9.148 -5.847 0.00 0.00 WAT1 ATOM 3730 OH2 TIP3 625 -24.832 8.999 -7.666 0.00 0.00 WAT1 ATOM 3731 H1 TIP3 625 -25.697 9.071 -7.262 0.00 0.00 WAT1 ATOM 3732 H2 TIP3 625 -24.887 9.546 -8.450 0.00 0.00 WAT1 ATOM 3733 OH2 TIP3 626 -15.189 9.335 -7.250 0.00 0.00 WAT1 ATOM 3734 H1 TIP3 626 -15.371 10.251 -7.461 0.00 0.00 WAT1 ATOM 3735 H2 TIP3 626 -15.013 8.925 -8.097 0.00 0.00 WAT1 ATOM 3736 OH2 TIP3 627 -27.413 -7.986 -3.798 0.00 0.00 WAT1 ATOM 3737 H1 TIP3 627 -27.779 -8.751 -3.355 0.00 0.00 WAT1 ATOM 3738 H2 TIP3 627 -26.500 -7.957 -3.511 0.00 0.00 WAT1 ATOM 3739 OH2 TIP3 628 -17.018 -9.303 -2.080 0.00 0.00 WAT1 ATOM 3740 H1 TIP3 628 -16.942 -9.729 -1.226 0.00 0.00 WAT1 ATOM 3741 H2 TIP3 628 -16.125 -9.289 -2.422 0.00 0.00 WAT1 ATOM 3742 OH2 TIP3 629 -13.842 6.770 -3.387 0.00 0.00 WAT1 ATOM 3743 H1 TIP3 629 -14.624 6.584 -3.907 0.00 0.00 WAT1 ATOM 3744 H2 TIP3 629 -13.914 7.699 -3.170 0.00 0.00 WAT1 ATOM 3745 OH2 TIP3 630 -18.292 0.656 5.499 0.00 0.00 WAT1 ATOM 3746 H1 TIP3 630 -18.203 1.600 5.367 0.00 0.00 WAT1 ATOM 3747 H2 TIP3 630 -18.931 0.381 4.841 0.00 0.00 WAT1 ATOM 3748 OH2 TIP3 631 -12.307 -6.055 10.185 0.00 0.00 WAT1 ATOM 3749 H1 TIP3 631 -12.258 -5.445 10.921 0.00 0.00 WAT1 ATOM 3750 H2 TIP3 631 -11.881 -5.594 9.462 0.00 0.00 WAT1 ATOM 3751 OH2 TIP3 632 -16.952 -5.030 5.325 0.00 0.00 WAT1 ATOM 3752 H1 TIP3 632 -16.306 -5.359 5.950 0.00 0.00 WAT1 ATOM 3753 H2 TIP3 632 -16.442 -4.512 4.702 0.00 0.00 WAT1 ATOM 3754 OH2 TIP3 633 -18.495 3.257 4.542 0.00 0.00 WAT1 ATOM 3755 H1 TIP3 633 -18.791 2.935 3.691 0.00 0.00 WAT1 ATOM 3756 H2 TIP3 633 -18.819 4.157 4.584 0.00 0.00 WAT1 ATOM 3757 OH2 TIP3 634 -15.730 4.372 4.702 0.00 0.00 WAT1 ATOM 3758 H1 TIP3 634 -15.987 3.682 4.090 0.00 0.00 WAT1 ATOM 3759 H2 TIP3 634 -15.659 3.929 5.547 0.00 0.00 WAT1 ATOM 3760 OH2 TIP3 635 -19.571 -0.100 2.951 0.00 0.00 WAT1 ATOM 3761 H1 TIP3 635 -20.283 0.435 2.600 0.00 0.00 WAT1 ATOM 3762 H2 TIP3 635 -18.880 -0.044 2.291 0.00 0.00 WAT1 ATOM 3763 OH2 TIP3 636 -16.165 0.110 3.903 0.00 0.00 WAT1 ATOM 3764 H1 TIP3 636 -16.897 0.338 4.476 0.00 0.00 WAT1 ATOM 3765 H2 TIP3 636 -15.718 -0.604 4.358 0.00 0.00 WAT1 ATOM 3766 OH2 TIP3 637 -13.596 -8.978 1.401 0.00 0.00 WAT1 ATOM 3767 H1 TIP3 637 -14.495 -8.839 1.696 0.00 0.00 WAT1 ATOM 3768 H2 TIP3 637 -13.344 -8.147 0.999 0.00 0.00 WAT1 ATOM 3769 OH2 TIP3 638 -12.406 5.388 -0.222 0.00 0.00 WAT1 ATOM 3770 H1 TIP3 638 -12.333 6.327 -0.052 0.00 0.00 WAT1 ATOM 3771 H2 TIP3 638 -11.501 5.083 -0.279 0.00 0.00 WAT1 ATOM 3772 OH2 TIP3 639 -18.945 -2.431 4.053 0.00 0.00 WAT1 ATOM 3773 H1 TIP3 639 -19.354 -1.616 3.761 0.00 0.00 WAT1 ATOM 3774 H2 TIP3 639 -18.225 -2.571 3.438 0.00 0.00 WAT1 ATOM 3775 OH2 TIP3 640 -17.941 -2.985 6.867 0.00 0.00 WAT1 ATOM 3776 H1 TIP3 640 -18.136 -2.380 6.152 0.00 0.00 WAT1 ATOM 3777 H2 TIP3 640 -17.759 -3.819 6.432 0.00 0.00 WAT1 ATOM 3778 OH2 TIP3 641 -28.845 -4.886 1.465 0.00 0.00 WAT1 ATOM 3779 H1 TIP3 641 -28.371 -4.295 0.880 0.00 0.00 WAT1 ATOM 3780 H2 TIP3 641 -29.563 -4.355 1.812 0.00 0.00 WAT1 ATOM 3781 OH2 TIP3 642 -23.418 -3.791 2.805 0.00 0.00 WAT1 ATOM 3782 H1 TIP3 642 -22.486 -3.662 2.983 0.00 0.00 WAT1 ATOM 3783 H2 TIP3 642 -23.633 -3.121 2.156 0.00 0.00 WAT1 ATOM 3784 OH2 TIP3 643 -24.744 -2.596 0.372 0.00 0.00 WAT1 ATOM 3785 H1 TIP3 643 -25.286 -2.976 -0.319 0.00 0.00 WAT1 ATOM 3786 H2 TIP3 643 -23.910 -2.402 -0.057 0.00 0.00 WAT1 ATOM 3787 OH2 TIP3 644 -21.409 1.969 2.308 0.00 0.00 WAT1 ATOM 3788 H1 TIP3 644 -22.153 1.462 1.985 0.00 0.00 WAT1 ATOM 3789 H2 TIP3 644 -21.543 2.018 3.254 0.00 0.00 WAT1 ATOM 3790 OH2 TIP3 645 -19.283 3.428 1.333 0.00 0.00 WAT1 ATOM 3791 H1 TIP3 645 -19.578 4.254 1.715 0.00 0.00 WAT1 ATOM 3792 H2 TIP3 645 -19.986 2.808 1.529 0.00 0.00 WAT1 ATOM 3793 OH2 TIP3 646 -11.908 -3.140 1.862 0.00 0.00 WAT1 ATOM 3794 H1 TIP3 646 -12.462 -3.536 1.190 0.00 0.00 WAT1 ATOM 3795 H2 TIP3 646 -11.807 -2.230 1.585 0.00 0.00 WAT1 ATOM 3796 OH2 TIP3 647 -13.612 5.646 2.327 0.00 0.00 WAT1 ATOM 3797 H1 TIP3 647 -13.985 4.820 2.637 0.00 0.00 WAT1 ATOM 3798 H2 TIP3 647 -13.335 5.463 1.430 0.00 0.00 WAT1 ATOM 3799 OH2 TIP3 648 -28.154 -0.356 0.069 0.00 0.00 WAT1 ATOM 3800 H1 TIP3 648 -27.538 0.271 0.448 0.00 0.00 WAT1 ATOM 3801 H2 TIP3 648 -29.016 -0.040 0.340 0.00 0.00 WAT1 ATOM 3802 OH2 TIP3 649 -22.129 4.734 -1.405 0.00 0.00 WAT1 ATOM 3803 H1 TIP3 649 -21.890 3.986 -1.953 0.00 0.00 WAT1 ATOM 3804 H2 TIP3 649 -22.398 4.346 -0.573 0.00 0.00 WAT1 ATOM 3805 OH2 TIP3 650 -23.192 4.304 1.051 0.00 0.00 WAT1 ATOM 3806 H1 TIP3 650 -23.045 3.784 1.841 0.00 0.00 WAT1 ATOM 3807 H2 TIP3 650 -23.195 5.211 1.357 0.00 0.00 WAT1 ATOM 3808 OH2 TIP3 651 -18.123 -6.129 2.937 0.00 0.00 WAT1 ATOM 3809 H1 TIP3 651 -17.903 -5.657 2.134 0.00 0.00 WAT1 ATOM 3810 H2 TIP3 651 -17.565 -5.734 3.608 0.00 0.00 WAT1 ATOM 3811 OH2 TIP3 652 -20.454 6.002 1.800 0.00 0.00 WAT1 ATOM 3812 H1 TIP3 652 -21.271 6.499 1.853 0.00 0.00 WAT1 ATOM 3813 H2 TIP3 652 -19.925 6.477 1.160 0.00 0.00 WAT1 ATOM 3814 OH2 TIP3 653 -20.923 -4.401 3.772 0.00 0.00 WAT1 ATOM 3815 H1 TIP3 653 -20.111 -3.897 3.818 0.00 0.00 WAT1 ATOM 3816 H2 TIP3 653 -21.168 -4.546 4.686 0.00 0.00 WAT1 ATOM 3817 OH2 TIP3 654 -20.039 -7.320 4.710 0.00 0.00 WAT1 ATOM 3818 H1 TIP3 654 -20.386 -6.702 5.355 0.00 0.00 WAT1 ATOM 3819 H2 TIP3 654 -19.381 -6.819 4.229 0.00 0.00 WAT1 ATOM 3820 OH2 TIP3 655 -24.382 -6.257 1.398 0.00 0.00 WAT1 ATOM 3821 H1 TIP3 655 -24.465 -5.368 1.744 0.00 0.00 WAT1 ATOM 3822 H2 TIP3 655 -23.492 -6.522 1.629 0.00 0.00 WAT1 ATOM 3823 OH2 TIP3 656 -15.581 -1.757 7.888 0.00 0.00 WAT1 ATOM 3824 H1 TIP3 656 -16.378 -2.172 7.559 0.00 0.00 WAT1 ATOM 3825 H2 TIP3 656 -15.136 -2.448 8.379 0.00 0.00 WAT1 ATOM 3826 OH2 TIP3 657 -27.807 -3.165 -0.426 0.00 0.00 WAT1 ATOM 3827 H1 TIP3 657 -27.852 -2.226 -0.247 0.00 0.00 WAT1 ATOM 3828 H2 TIP3 657 -28.695 -3.401 -0.696 0.00 0.00 WAT1 ATOM 3829 OH2 TIP3 658 -20.091 6.597 -1.267 0.00 0.00 WAT1 ATOM 3830 H1 TIP3 658 -20.735 5.966 -0.945 0.00 0.00 WAT1 ATOM 3831 H2 TIP3 658 -19.329 6.066 -1.499 0.00 0.00 WAT1 ATOM 3832 OH2 TIP3 659 -15.487 6.414 -1.033 0.00 0.00 WAT1 ATOM 3833 H1 TIP3 659 -15.204 5.620 -0.580 0.00 0.00 WAT1 ATOM 3834 H2 TIP3 659 -14.747 6.647 -1.594 0.00 0.00 WAT1 ATOM 3835 OH2 TIP3 660 -24.532 2.324 -1.176 0.00 0.00 WAT1 ATOM 3836 H1 TIP3 660 -24.468 1.530 -0.645 0.00 0.00 WAT1 ATOM 3837 H2 TIP3 660 -23.879 2.205 -1.865 0.00 0.00 WAT1 ATOM 3838 OH2 TIP3 661 -19.180 3.371 -1.440 0.00 0.00 WAT1 ATOM 3839 H1 TIP3 661 -19.448 3.551 -0.539 0.00 0.00 WAT1 ATOM 3840 H2 TIP3 661 -19.386 2.445 -1.571 0.00 0.00 WAT1 ATOM 3841 OH2 TIP3 662 -23.383 0.296 1.130 0.00 0.00 WAT1 ATOM 3842 H1 TIP3 662 -23.842 -0.188 1.816 0.00 0.00 WAT1 ATOM 3843 H2 TIP3 662 -23.128 -0.372 0.494 0.00 0.00 WAT1 ATOM 3844 OH2 TIP3 663 -22.312 -1.461 -0.607 0.00 0.00 WAT1 ATOM 3845 H1 TIP3 663 -22.492 -1.615 -1.535 0.00 0.00 WAT1 ATOM 3846 H2 TIP3 663 -21.361 -1.353 -0.563 0.00 0.00 WAT1 ATOM 3847 OH2 TIP3 664 -12.463 1.763 2.813 0.00 0.00 WAT1 ATOM 3848 H1 TIP3 664 -11.613 2.184 2.941 0.00 0.00 WAT1 ATOM 3849 H2 TIP3 664 -12.458 1.023 3.421 0.00 0.00 WAT1 ATOM 3850 OH2 TIP3 665 -12.069 -0.184 4.637 0.00 0.00 WAT1 ATOM 3851 H1 TIP3 665 -12.795 -0.663 5.035 0.00 0.00 WAT1 ATOM 3852 H2 TIP3 665 -11.488 0.022 5.369 0.00 0.00 WAT1 ATOM 3853 OH2 TIP3 666 -14.282 -1.663 5.200 0.00 0.00 WAT1 ATOM 3854 H1 TIP3 666 -14.432 -2.608 5.180 0.00 0.00 WAT1 ATOM 3855 H2 TIP3 666 -14.636 -1.382 6.044 0.00 0.00 WAT1 ATOM 3856 OH2 TIP3 667 -14.572 -4.080 3.662 0.00 0.00 WAT1 ATOM 3857 H1 TIP3 667 -14.292 -4.987 3.787 0.00 0.00 WAT1 ATOM 3858 H2 TIP3 667 -13.813 -3.646 3.273 0.00 0.00 WAT1 ATOM 3859 OH2 TIP3 668 -13.958 -6.817 3.711 0.00 0.00 WAT1 ATOM 3860 H1 TIP3 668 -13.776 -7.266 4.536 0.00 0.00 WAT1 ATOM 3861 H2 TIP3 668 -14.558 -7.402 3.247 0.00 0.00 WAT1 ATOM 3862 OH2 TIP3 669 -12.092 -6.750 0.239 0.00 0.00 WAT1 ATOM 3863 H1 TIP3 669 -11.679 -7.471 -0.237 0.00 0.00 WAT1 ATOM 3864 H2 TIP3 669 -11.410 -6.080 0.297 0.00 0.00 WAT1 ATOM 3865 OH2 TIP3 670 -13.127 -8.583 13.396 0.00 0.00 WAT1 ATOM 3866 H1 TIP3 670 -13.940 -8.258 13.008 0.00 0.00 WAT1 ATOM 3867 H2 TIP3 670 -12.894 -9.343 12.863 0.00 0.00 WAT1 ATOM 3868 OH2 TIP3 671 -14.555 -9.027 7.831 0.00 0.00 WAT1 ATOM 3869 H1 TIP3 671 -13.951 -8.479 7.330 0.00 0.00 WAT1 ATOM 3870 H2 TIP3 671 -15.424 -8.707 7.591 0.00 0.00 WAT1 ATOM 3871 OH2 TIP3 672 -12.828 -7.888 6.165 0.00 0.00 WAT1 ATOM 3872 H1 TIP3 672 -12.216 -8.402 5.638 0.00 0.00 WAT1 ATOM 3873 H2 TIP3 672 -12.445 -7.010 6.188 0.00 0.00 WAT1 ATOM 3874 OH2 TIP3 673 -15.881 -8.517 2.696 0.00 0.00 WAT1 ATOM 3875 H1 TIP3 673 -16.584 -7.903 2.486 0.00 0.00 WAT1 ATOM 3876 H2 TIP3 673 -16.326 -9.355 2.827 0.00 0.00 WAT1 ATOM 3877 OH2 TIP3 674 -26.673 -6.786 -0.213 0.00 0.00 WAT1 ATOM 3878 H1 TIP3 674 -26.182 -7.416 -0.741 0.00 0.00 WAT1 ATOM 3879 H2 TIP3 674 -26.050 -6.490 0.450 0.00 0.00 WAT1 ATOM 3880 OH2 TIP3 675 -21.647 -6.493 2.244 0.00 0.00 WAT1 ATOM 3881 H1 TIP3 675 -21.469 -7.139 2.927 0.00 0.00 WAT1 ATOM 3882 H2 TIP3 675 -21.701 -5.659 2.711 0.00 0.00 WAT1 ATOM 3883 OH2 TIP3 676 -14.841 11.832 -45.583 0.00 0.00 WAT1 ATOM 3884 H1 TIP3 676 -15.577 12.443 -45.621 0.00 0.00 WAT1 ATOM 3885 H2 TIP3 676 -14.157 12.247 -46.109 0.00 0.00 WAT1 ATOM 3886 OH2 TIP3 677 -21.838 9.919 -48.117 0.00 0.00 WAT1 ATOM 3887 H1 TIP3 677 -21.955 8.970 -48.171 0.00 0.00 WAT1 ATOM 3888 H2 TIP3 677 -22.693 10.251 -47.844 0.00 0.00 WAT1 ATOM 3889 OH2 TIP3 678 -24.569 10.822 -47.339 0.00 0.00 WAT1 ATOM 3890 H1 TIP3 678 -25.430 10.735 -47.747 0.00 0.00 WAT1 ATOM 3891 H2 TIP3 678 -24.591 11.678 -46.912 0.00 0.00 WAT1 ATOM 3892 OH2 TIP3 679 -16.580 14.300 -43.111 0.00 0.00 WAT1 ATOM 3893 H1 TIP3 679 -17.094 14.174 -42.314 0.00 0.00 WAT1 ATOM 3894 H2 TIP3 679 -16.735 15.212 -43.356 0.00 0.00 WAT1 ATOM 3895 OH2 TIP3 680 -17.494 12.671 -46.982 0.00 0.00 WAT1 ATOM 3896 H1 TIP3 680 -18.171 12.802 -46.318 0.00 0.00 WAT1 ATOM 3897 H2 TIP3 680 -17.980 12.516 -47.792 0.00 0.00 WAT1 ATOM 3898 OH2 TIP3 681 -18.907 13.075 -44.728 0.00 0.00 WAT1 ATOM 3899 H1 TIP3 681 -18.209 13.149 -44.078 0.00 0.00 WAT1 ATOM 3900 H2 TIP3 681 -19.288 12.211 -44.573 0.00 0.00 WAT1 ATOM 3901 OH2 TIP3 682 -20.387 15.441 -43.611 0.00 0.00 WAT1 ATOM 3902 H1 TIP3 682 -20.268 16.015 -42.854 0.00 0.00 WAT1 ATOM 3903 H2 TIP3 682 -19.732 14.753 -43.496 0.00 0.00 WAT1 ATOM 3904 OH2 TIP3 683 -14.183 13.348 -42.776 0.00 0.00 WAT1 ATOM 3905 H1 TIP3 683 -15.099 13.611 -42.864 0.00 0.00 WAT1 ATOM 3906 H2 TIP3 683 -13.847 13.345 -43.673 0.00 0.00 WAT1 ATOM 3907 OH2 TIP3 684 -23.754 14.400 -41.999 0.00 0.00 WAT1 ATOM 3908 H1 TIP3 684 -23.604 13.671 -42.602 0.00 0.00 WAT1 ATOM 3909 H2 TIP3 684 -23.752 15.177 -42.558 0.00 0.00 WAT1 ATOM 3910 OH2 TIP3 685 -23.342 12.770 -44.507 0.00 0.00 WAT1 ATOM 3911 H1 TIP3 685 -22.806 13.221 -45.159 0.00 0.00 WAT1 ATOM 3912 H2 TIP3 685 -24.194 12.662 -44.929 0.00 0.00 WAT1 ATOM 3913 OH2 TIP3 686 -25.276 15.598 -40.088 0.00 0.00 WAT1 ATOM 3914 H1 TIP3 686 -26.043 15.066 -40.298 0.00 0.00 WAT1 ATOM 3915 H2 TIP3 686 -24.597 15.288 -40.687 0.00 0.00 WAT1 ATOM 3916 OH2 TIP3 687 -22.536 10.226 -44.075 0.00 0.00 WAT1 ATOM 3917 H1 TIP3 687 -22.634 11.173 -44.181 0.00 0.00 WAT1 ATOM 3918 H2 TIP3 687 -23.279 9.854 -44.551 0.00 0.00 WAT1 ATOM 3919 OH2 TIP3 688 -21.272 14.548 -40.512 0.00 0.00 WAT1 ATOM 3920 H1 TIP3 688 -21.508 14.328 -39.610 0.00 0.00 WAT1 ATOM 3921 H2 TIP3 688 -22.055 14.341 -41.021 0.00 0.00 WAT1 ATOM 3922 OH2 TIP3 689 -18.556 13.675 -41.436 0.00 0.00 WAT1 ATOM 3923 H1 TIP3 689 -19.504 13.707 -41.304 0.00 0.00 WAT1 ATOM 3924 H2 TIP3 689 -18.244 13.050 -40.782 0.00 0.00 WAT1 ATOM 3925 OH2 TIP3 690 -16.922 12.309 -39.431 0.00 0.00 WAT1 ATOM 3926 H1 TIP3 690 -17.019 11.357 -39.437 0.00 0.00 WAT1 ATOM 3927 H2 TIP3 690 -17.244 12.578 -38.570 0.00 0.00 WAT1 ATOM 3928 OH2 TIP3 691 -27.095 13.519 -40.383 0.00 0.00 WAT1 ATOM 3929 H1 TIP3 691 -26.884 12.812 -40.994 0.00 0.00 WAT1 ATOM 3930 H2 TIP3 691 -27.207 13.081 -39.539 0.00 0.00 WAT1 ATOM 3931 OH2 TIP3 692 -29.649 14.542 -41.217 0.00 0.00 WAT1 ATOM 3932 H1 TIP3 692 -28.730 14.420 -40.981 0.00 0.00 WAT1 ATOM 3933 H2 TIP3 692 -30.099 13.792 -40.828 0.00 0.00 WAT1 ATOM 3934 OH2 TIP3 693 -11.648 10.074 -39.340 0.00 0.00 WAT1 ATOM 3935 H1 TIP3 693 -11.298 9.420 -39.946 0.00 0.00 WAT1 ATOM 3936 H2 TIP3 693 -11.501 10.911 -39.780 0.00 0.00 WAT1 ATOM 3937 OH2 TIP3 694 -12.128 12.183 -40.991 0.00 0.00 WAT1 ATOM 3938 H1 TIP3 694 -13.045 12.454 -41.027 0.00 0.00 WAT1 ATOM 3939 H2 TIP3 694 -12.005 11.648 -41.775 0.00 0.00 WAT1 ATOM 3940 OH2 TIP3 695 -13.127 10.273 -43.172 0.00 0.00 WAT1 ATOM 3941 H1 TIP3 695 -13.940 10.598 -43.560 0.00 0.00 WAT1 ATOM 3942 H2 TIP3 695 -12.894 9.513 -43.705 0.00 0.00 WAT1 ATOM 3943 OH2 TIP3 696 -19.697 11.722 -48.849 0.00 0.00 WAT1 ATOM 3944 H1 TIP3 696 -20.372 11.093 -48.594 0.00 0.00 WAT1 ATOM 3945 H2 TIP3 696 -19.133 11.238 -49.452 0.00 0.00 WAT1 ATOM 3946 OH2 TIP3 697 -14.555 9.829 -48.737 0.00 0.00 WAT1 ATOM 3947 H1 TIP3 697 -13.951 10.377 -49.238 0.00 0.00 WAT1 ATOM 3948 H2 TIP3 697 -15.424 10.149 -48.977 0.00 0.00 WAT1 ATOM 3949 OH2 TIP3 698 -17.234 10.313 -49.565 0.00 0.00 WAT1 ATOM 3950 H1 TIP3 698 -17.158 10.408 -50.514 0.00 0.00 WAT1 ATOM 3951 H2 TIP3 698 -17.510 9.405 -49.436 0.00 0.00 WAT1 ATOM 3952 OH2 TIP3 699 -27.413 10.870 -41.510 0.00 0.00 WAT1 ATOM 3953 H1 TIP3 699 -27.779 10.105 -41.067 0.00 0.00 WAT1 ATOM 3954 H2 TIP3 699 -26.500 10.899 -41.223 0.00 0.00 WAT1 ATOM 3955 OH2 TIP3 700 -25.440 10.221 -39.974 0.00 0.00 WAT1 ATOM 3956 H1 TIP3 700 -24.541 9.947 -40.159 0.00 0.00 WAT1 ATOM 3957 H2 TIP3 700 -25.826 9.478 -39.510 0.00 0.00 WAT1 ATOM 3958 OH2 TIP3 701 -18.292 19.512 -32.213 0.00 0.00 WAT1 ATOM 3959 H1 TIP3 701 -18.203 20.456 -32.345 0.00 0.00 WAT1 ATOM 3960 H2 TIP3 701 -18.931 19.237 -32.871 0.00 0.00 WAT1 ATOM 3961 OH2 TIP3 702 -26.067 22.832 -28.666 0.00 0.00 WAT1 ATOM 3962 H1 TIP3 702 -26.437 22.030 -29.035 0.00 0.00 WAT1 ATOM 3963 H2 TIP3 702 -25.126 22.663 -28.619 0.00 0.00 WAT1 ATOM 3964 OH2 TIP3 703 -20.970 21.200 -28.388 0.00 0.00 WAT1 ATOM 3965 H1 TIP3 703 -20.666 20.514 -28.982 0.00 0.00 WAT1 ATOM 3966 H2 TIP3 703 -20.248 21.318 -27.770 0.00 0.00 WAT1 ATOM 3967 OH2 TIP3 704 -12.307 12.801 -27.527 0.00 0.00 WAT1 ATOM 3968 H1 TIP3 704 -12.258 13.411 -26.791 0.00 0.00 WAT1 ATOM 3969 H2 TIP3 704 -11.881 13.262 -28.250 0.00 0.00 WAT1 ATOM 3970 OH2 TIP3 705 -16.952 13.826 -32.387 0.00 0.00 WAT1 ATOM 3971 H1 TIP3 705 -16.306 13.497 -31.762 0.00 0.00 WAT1 ATOM 3972 H2 TIP3 705 -16.442 14.344 -33.010 0.00 0.00 WAT1 ATOM 3973 OH2 TIP3 706 -11.915 14.279 -25.291 0.00 0.00 WAT1 ATOM 3974 H1 TIP3 706 -12.604 14.937 -25.386 0.00 0.00 WAT1 ATOM 3975 H2 TIP3 706 -11.900 14.082 -24.354 0.00 0.00 WAT1 ATOM 3976 OH2 TIP3 707 -15.188 13.117 -30.406 0.00 0.00 WAT1 ATOM 3977 H1 TIP3 707 -15.403 12.351 -29.874 0.00 0.00 WAT1 ATOM 3978 H2 TIP3 707 -14.532 13.589 -29.893 0.00 0.00 WAT1 ATOM 3979 OH2 TIP3 708 -28.766 21.924 -34.857 0.00 0.00 WAT1 ATOM 3980 H1 TIP3 708 -29.038 22.153 -35.746 0.00 0.00 WAT1 ATOM 3981 H2 TIP3 708 -28.721 22.762 -34.397 0.00 0.00 WAT1 ATOM 3982 OH2 TIP3 709 -14.044 21.794 -24.533 0.00 0.00 WAT1 ATOM 3983 H1 TIP3 709 -13.904 21.203 -25.272 0.00 0.00 WAT1 ATOM 3984 H2 TIP3 709 -13.876 22.667 -24.889 0.00 0.00 WAT1 ATOM 3985 OH2 TIP3 710 -19.571 18.756 -34.761 0.00 0.00 WAT1 ATOM 3986 H1 TIP3 710 -20.283 19.291 -35.112 0.00 0.00 WAT1 ATOM 3987 H2 TIP3 710 -18.880 18.812 -35.421 0.00 0.00 WAT1 ATOM 3988 OH2 TIP3 711 -19.517 17.214 -37.722 0.00 0.00 WAT1 ATOM 3989 H1 TIP3 711 -18.816 17.236 -37.071 0.00 0.00 WAT1 ATOM 3990 H2 TIP3 711 -19.215 16.586 -38.378 0.00 0.00 WAT1 ATOM 3991 OH2 TIP3 712 -12.202 18.134 -26.467 0.00 0.00 WAT1 ATOM 3992 H1 TIP3 712 -12.854 18.829 -26.378 0.00 0.00 WAT1 ATOM 3993 H2 TIP3 712 -11.737 18.344 -27.277 0.00 0.00 WAT1 ATOM 3994 OH2 TIP3 713 -16.165 18.966 -33.809 0.00 0.00 WAT1 ATOM 3995 H1 TIP3 713 -16.897 19.194 -33.236 0.00 0.00 WAT1 ATOM 3996 H2 TIP3 713 -15.718 18.252 -33.354 0.00 0.00 WAT1 ATOM 3997 OH2 TIP3 714 -23.153 23.024 -29.245 0.00 0.00 WAT1 ATOM 3998 H1 TIP3 714 -23.248 22.446 -30.002 0.00 0.00 WAT1 ATOM 3999 H2 TIP3 714 -22.424 22.653 -28.749 0.00 0.00 WAT1 ATOM 4000 OH2 TIP3 715 -23.273 22.764 -23.576 0.00 0.00 WAT1 ATOM 4001 H1 TIP3 715 -23.585 23.546 -23.120 0.00 0.00 WAT1 ATOM 4002 H2 TIP3 715 -23.923 22.611 -24.262 0.00 0.00 WAT1 ATOM 4003 OH2 TIP3 716 -17.294 18.128 -36.124 0.00 0.00 WAT1 ATOM 4004 H1 TIP3 716 -16.715 18.278 -35.377 0.00 0.00 WAT1 ATOM 4005 H2 TIP3 716 -16.880 18.599 -36.847 0.00 0.00 WAT1 ATOM 4006 OH2 TIP3 717 -25.034 24.836 -22.812 0.00 0.00 WAT1 ATOM 4007 H1 TIP3 717 -25.026 24.700 -23.760 0.00 0.00 WAT1 ATOM 4008 H2 TIP3 717 -25.950 24.718 -22.560 0.00 0.00 WAT1 ATOM 4009 OH2 TIP3 718 -13.596 9.878 -36.311 0.00 0.00 WAT1 ATOM 4010 H1 TIP3 718 -14.495 10.017 -36.016 0.00 0.00 WAT1 ATOM 4011 H2 TIP3 718 -13.344 10.709 -36.713 0.00 0.00 WAT1 ATOM 4012 OH2 TIP3 719 -25.530 18.666 -34.337 0.00 0.00 WAT1 ATOM 4013 H1 TIP3 719 -25.822 19.434 -34.828 0.00 0.00 WAT1 ATOM 4014 H2 TIP3 719 -26.204 18.006 -34.500 0.00 0.00 WAT1 ATOM 4015 OH2 TIP3 720 -29.686 23.809 -28.638 0.00 0.00 WAT1 ATOM 4016 H1 TIP3 720 -28.740 23.665 -28.657 0.00 0.00 WAT1 ATOM 4017 H2 TIP3 720 -29.799 24.593 -28.101 0.00 0.00 WAT1 ATOM 4018 OH2 TIP3 721 -20.510 24.049 -24.080 0.00 0.00 WAT1 ATOM 4019 H1 TIP3 721 -20.423 24.875 -23.605 0.00 0.00 WAT1 ATOM 4020 H2 TIP3 721 -21.374 23.719 -23.831 0.00 0.00 WAT1 ATOM 4021 OH2 TIP3 722 -20.244 13.037 -37.824 0.00 0.00 WAT1 ATOM 4022 H1 TIP3 722 -20.498 13.056 -36.901 0.00 0.00 WAT1 ATOM 4023 H2 TIP3 722 -20.501 12.165 -38.125 0.00 0.00 WAT1 ATOM 4024 OH2 TIP3 723 -23.362 13.482 -38.723 0.00 0.00 WAT1 ATOM 4025 H1 TIP3 723 -23.793 13.037 -37.993 0.00 0.00 WAT1 ATOM 4026 H2 TIP3 723 -24.080 13.854 -39.235 0.00 0.00 WAT1 ATOM 4027 OH2 TIP3 724 -24.744 16.260 -37.340 0.00 0.00 WAT1 ATOM 4028 H1 TIP3 724 -25.286 15.880 -38.031 0.00 0.00 WAT1 ATOM 4029 H2 TIP3 724 -23.910 16.454 -37.769 0.00 0.00 WAT1 ATOM 4030 OH2 TIP3 725 -21.409 20.825 -35.404 0.00 0.00 WAT1 ATOM 4031 H1 TIP3 725 -22.153 20.318 -35.727 0.00 0.00 WAT1 ATOM 4032 H2 TIP3 725 -21.543 20.874 -34.458 0.00 0.00 WAT1 ATOM 4033 OH2 TIP3 726 -14.259 19.958 -26.618 0.00 0.00 WAT1 ATOM 4034 H1 TIP3 726 -13.617 20.415 -27.161 0.00 0.00 WAT1 ATOM 4035 H2 TIP3 726 -15.089 20.071 -27.080 0.00 0.00 WAT1 ATOM 4036 OH2 TIP3 727 -17.511 13.639 -37.205 0.00 0.00 WAT1 ATOM 4037 H1 TIP3 727 -18.449 13.751 -37.356 0.00 0.00 WAT1 ATOM 4038 H2 TIP3 727 -17.214 14.496 -36.899 0.00 0.00 WAT1 ATOM 4039 OH2 TIP3 728 -19.889 21.009 -24.167 0.00 0.00 WAT1 ATOM 4040 H1 TIP3 728 -20.235 20.628 -23.361 0.00 0.00 WAT1 ATOM 4041 H2 TIP3 728 -20.089 21.943 -24.096 0.00 0.00 WAT1 ATOM 4042 OH2 TIP3 729 -16.793 15.506 -35.544 0.00 0.00 WAT1 ATOM 4043 H1 TIP3 729 -15.901 15.369 -35.225 0.00 0.00 WAT1 ATOM 4044 H2 TIP3 729 -16.736 16.297 -36.081 0.00 0.00 WAT1 ATOM 4045 OH2 TIP3 730 -16.452 19.310 -28.363 0.00 0.00 WAT1 ATOM 4046 H1 TIP3 730 -17.380 19.078 -28.390 0.00 0.00 WAT1 ATOM 4047 H2 TIP3 730 -16.001 18.533 -28.693 0.00 0.00 WAT1 ATOM 4048 OH2 TIP3 731 -23.909 23.638 -32.230 0.00 0.00 WAT1 ATOM 4049 H1 TIP3 731 -23.382 24.411 -32.431 0.00 0.00 WAT1 ATOM 4050 H2 TIP3 731 -24.789 23.863 -32.532 0.00 0.00 WAT1 ATOM 4051 OH2 TIP3 732 -28.154 18.500 -37.643 0.00 0.00 WAT1 ATOM 4052 H1 TIP3 732 -27.538 19.127 -37.264 0.00 0.00 WAT1 ATOM 4053 H2 TIP3 732 -29.016 18.816 -37.372 0.00 0.00 WAT1 ATOM 4054 OH2 TIP3 733 -22.482 21.301 -32.654 0.00 0.00 WAT1 ATOM 4055 H1 TIP3 733 -22.723 22.226 -32.612 0.00 0.00 WAT1 ATOM 4056 H2 TIP3 733 -23.222 20.842 -32.258 0.00 0.00 WAT1 ATOM 4057 OH2 TIP3 734 -21.967 25.450 -26.339 0.00 0.00 WAT1 ATOM 4058 H1 TIP3 734 -21.604 26.305 -26.572 0.00 0.00 WAT1 ATOM 4059 H2 TIP3 734 -21.435 25.158 -25.598 0.00 0.00 WAT1 ATOM 4060 OH2 TIP3 735 -18.423 21.549 -26.638 0.00 0.00 WAT1 ATOM 4061 H1 TIP3 735 -18.849 21.322 -25.812 0.00 0.00 WAT1 ATOM 4062 H2 TIP3 735 -17.842 20.811 -26.821 0.00 0.00 WAT1 ATOM 4063 OH2 TIP3 736 -27.991 25.139 -26.327 0.00 0.00 WAT1 ATOM 4064 H1 TIP3 736 -27.774 24.207 -26.358 0.00 0.00 WAT1 ATOM 4065 H2 TIP3 736 -27.744 25.413 -25.443 0.00 0.00 WAT1 ATOM 4066 OH2 TIP3 737 -26.739 20.413 -36.151 0.00 0.00 WAT1 ATOM 4067 H1 TIP3 737 -27.425 20.765 -35.584 0.00 0.00 WAT1 ATOM 4068 H2 TIP3 737 -26.216 21.176 -36.397 0.00 0.00 WAT1 ATOM 4069 OH2 TIP3 738 -18.123 12.727 -34.775 0.00 0.00 WAT1 ATOM 4070 H1 TIP3 738 -17.903 13.199 -35.578 0.00 0.00 WAT1 ATOM 4071 H2 TIP3 738 -17.565 13.122 -34.104 0.00 0.00 WAT1 ATOM 4072 OH2 TIP3 739 -15.581 17.099 -29.824 0.00 0.00 WAT1 ATOM 4073 H1 TIP3 739 -16.378 16.684 -30.153 0.00 0.00 WAT1 ATOM 4074 H2 TIP3 739 -15.136 16.408 -29.333 0.00 0.00 WAT1 ATOM 4075 OH2 TIP3 740 -27.807 15.691 -38.138 0.00 0.00 WAT1 ATOM 4076 H1 TIP3 740 -27.852 16.630 -37.959 0.00 0.00 WAT1 ATOM 4077 H2 TIP3 740 -28.695 15.455 -38.408 0.00 0.00 WAT1 ATOM 4078 OH2 TIP3 741 -28.069 24.413 -33.304 0.00 0.00 WAT1 ATOM 4079 H1 TIP3 741 -28.901 24.886 -33.277 0.00 0.00 WAT1 ATOM 4080 H2 TIP3 741 -27.523 24.923 -33.903 0.00 0.00 WAT1 ATOM 4081 OH2 TIP3 742 -28.780 27.026 -21.974 0.00 0.00 WAT1 ATOM 4082 H1 TIP3 742 -28.240 26.809 -21.215 0.00 0.00 WAT1 ATOM 4083 H2 TIP3 742 -29.261 26.220 -22.164 0.00 0.00 WAT1 ATOM 4084 OH2 TIP3 743 -22.218 20.806 -21.587 0.00 0.00 WAT1 ATOM 4085 H1 TIP3 743 -22.546 21.077 -22.445 0.00 0.00 WAT1 ATOM 4086 H2 TIP3 743 -22.066 19.865 -21.675 0.00 0.00 WAT1 ATOM 4087 OH2 TIP3 744 -16.483 20.722 -24.204 0.00 0.00 WAT1 ATOM 4088 H1 TIP3 744 -15.738 21.310 -24.324 0.00 0.00 WAT1 ATOM 4089 H2 TIP3 744 -17.240 21.304 -24.141 0.00 0.00 WAT1 ATOM 4090 OH2 TIP3 745 -23.383 19.152 -36.582 0.00 0.00 WAT1 ATOM 4091 H1 TIP3 745 -23.842 18.668 -35.896 0.00 0.00 WAT1 ATOM 4092 H2 TIP3 745 -23.128 18.484 -37.218 0.00 0.00 WAT1 ATOM 4093 OH2 TIP3 746 -22.312 17.395 -38.319 0.00 0.00 WAT1 ATOM 4094 H1 TIP3 746 -22.492 17.241 -39.247 0.00 0.00 WAT1 ATOM 4095 H2 TIP3 746 -21.361 17.503 -38.275 0.00 0.00 WAT1 ATOM 4096 OH2 TIP3 747 -19.074 19.516 -20.948 0.00 0.00 WAT1 ATOM 4097 H1 TIP3 747 -18.121 19.600 -20.976 0.00 0.00 WAT1 ATOM 4098 H2 TIP3 747 -19.234 18.805 -20.329 0.00 0.00 WAT1 ATOM 4099 OH2 TIP3 748 -16.028 18.813 -22.305 0.00 0.00 WAT1 ATOM 4100 H1 TIP3 748 -16.309 19.522 -22.883 0.00 0.00 WAT1 ATOM 4101 H2 TIP3 748 -15.085 18.740 -22.456 0.00 0.00 WAT1 ATOM 4102 OH2 TIP3 749 -29.327 26.196 -30.953 0.00 0.00 WAT1 ATOM 4103 H1 TIP3 749 -29.661 25.315 -30.781 0.00 0.00 WAT1 ATOM 4104 H2 TIP3 749 -29.105 26.541 -30.089 0.00 0.00 WAT1 ATOM 4105 OH2 TIP3 750 -14.282 17.193 -32.512 0.00 0.00 WAT1 ATOM 4106 H1 TIP3 750 -14.432 16.248 -32.532 0.00 0.00 WAT1 ATOM 4107 H2 TIP3 750 -14.636 17.474 -31.668 0.00 0.00 WAT1 ATOM 4108 OH2 TIP3 751 -13.426 19.163 -22.873 0.00 0.00 WAT1 ATOM 4109 H1 TIP3 751 -12.843 18.429 -22.682 0.00 0.00 WAT1 ATOM 4110 H2 TIP3 751 -12.862 19.935 -22.827 0.00 0.00 WAT1 ATOM 4111 OH2 TIP3 752 -11.929 17.066 -22.189 0.00 0.00 WAT1 ATOM 4112 H1 TIP3 752 -12.792 16.687 -22.354 0.00 0.00 WAT1 ATOM 4113 H2 TIP3 752 -11.325 16.327 -22.263 0.00 0.00 WAT1 ATOM 4114 OH2 TIP3 753 -14.204 13.221 -39.016 0.00 0.00 WAT1 ATOM 4115 H1 TIP3 753 -13.594 12.849 -38.379 0.00 0.00 WAT1 ATOM 4116 H2 TIP3 753 -15.041 12.799 -38.820 0.00 0.00 WAT1 ATOM 4117 OH2 TIP3 754 -14.572 14.776 -34.050 0.00 0.00 WAT1 ATOM 4118 H1 TIP3 754 -14.292 13.869 -33.925 0.00 0.00 WAT1 ATOM 4119 H2 TIP3 754 -13.813 15.210 -34.439 0.00 0.00 WAT1 ATOM 4120 OH2 TIP3 755 -13.960 15.357 -28.614 0.00 0.00 WAT1 ATOM 4121 H1 TIP3 755 -13.027 15.569 -28.648 0.00 0.00 WAT1 ATOM 4122 H2 TIP3 755 -14.195 15.459 -27.691 0.00 0.00 WAT1 ATOM 4123 OH2 TIP3 756 -13.958 12.039 -34.001 0.00 0.00 WAT1 ATOM 4124 H1 TIP3 756 -13.776 11.590 -33.176 0.00 0.00 WAT1 ATOM 4125 H2 TIP3 756 -14.558 11.454 -34.465 0.00 0.00 WAT1 ATOM 4126 OH2 TIP3 757 -27.655 24.024 -21.858 0.00 0.00 WAT1 ATOM 4127 H1 TIP3 757 -28.476 24.199 -22.318 0.00 0.00 WAT1 ATOM 4128 H2 TIP3 757 -27.907 23.951 -20.937 0.00 0.00 WAT1 ATOM 4129 OH2 TIP3 758 -24.701 24.999 -25.599 0.00 0.00 WAT1 ATOM 4130 H1 TIP3 758 -25.126 25.808 -25.882 0.00 0.00 WAT1 ATOM 4131 H2 TIP3 758 -23.796 25.084 -25.901 0.00 0.00 WAT1 ATOM 4132 OH2 TIP3 759 -27.299 28.255 -25.552 0.00 0.00 WAT1 ATOM 4133 H1 TIP3 759 -28.019 28.695 -26.003 0.00 0.00 WAT1 ATOM 4134 H2 TIP3 759 -27.665 28.004 -24.703 0.00 0.00 WAT1 ATOM 4135 OH2 TIP3 760 -27.884 26.878 -28.641 0.00 0.00 WAT1 ATOM 4136 H1 TIP3 760 -27.903 26.453 -27.784 0.00 0.00 WAT1 ATOM 4137 H2 TIP3 760 -27.079 26.560 -29.050 0.00 0.00 WAT1 ATOM 4138 OH2 TIP3 761 -25.743 25.588 -29.986 0.00 0.00 WAT1 ATOM 4139 H1 TIP3 761 -25.962 24.672 -29.817 0.00 0.00 WAT1 ATOM 4140 H2 TIP3 761 -24.919 25.728 -29.520 0.00 0.00 WAT1 ATOM 4141 OH2 TIP3 762 -23.206 26.058 -29.138 0.00 0.00 WAT1 ATOM 4142 H1 TIP3 762 -22.993 25.170 -29.425 0.00 0.00 WAT1 ATOM 4143 H2 TIP3 762 -23.141 26.024 -28.183 0.00 0.00 WAT1 ATOM 4144 OH2 TIP3 763 -12.828 10.968 -31.547 0.00 0.00 WAT1 ATOM 4145 H1 TIP3 763 -12.216 10.454 -32.074 0.00 0.00 WAT1 ATOM 4146 H2 TIP3 763 -12.445 11.846 -31.524 0.00 0.00 WAT1 ATOM 4147 OH2 TIP3 764 -15.881 10.339 -35.016 0.00 0.00 WAT1 ATOM 4148 H1 TIP3 764 -16.584 10.953 -35.226 0.00 0.00 WAT1 ATOM 4149 H2 TIP3 764 -16.326 9.501 -34.885 0.00 0.00 WAT1 ATOM 4150 OH2 TIP3 765 -18.292 19.512 -13.357 0.00 0.00 WAT1 ATOM 4151 H1 TIP3 765 -18.203 20.456 -13.489 0.00 0.00 WAT1 ATOM 4152 H2 TIP3 765 -18.931 19.237 -14.015 0.00 0.00 WAT1 ATOM 4153 OH2 TIP3 766 -29.457 16.492 -14.417 0.00 0.00 WAT1 ATOM 4154 H1 TIP3 766 -29.905 17.338 -14.435 0.00 0.00 WAT1 ATOM 4155 H2 TIP3 766 -30.018 15.912 -14.932 0.00 0.00 WAT1 ATOM 4156 OH2 TIP3 767 -28.747 18.654 -12.291 0.00 0.00 WAT1 ATOM 4157 H1 TIP3 767 -28.533 17.884 -11.764 0.00 0.00 WAT1 ATOM 4158 H2 TIP3 767 -28.009 18.743 -12.894 0.00 0.00 WAT1 ATOM 4159 OH2 TIP3 768 -12.307 12.801 -8.671 0.00 0.00 WAT1 ATOM 4160 H1 TIP3 768 -12.258 13.411 -7.935 0.00 0.00 WAT1 ATOM 4161 H2 TIP3 768 -11.881 13.262 -9.394 0.00 0.00 WAT1 ATOM 4162 OH2 TIP3 769 -17.829 15.594 -9.204 0.00 0.00 WAT1 ATOM 4163 H1 TIP3 769 -17.686 14.647 -9.184 0.00 0.00 WAT1 ATOM 4164 H2 TIP3 769 -17.935 15.801 -10.133 0.00 0.00 WAT1 ATOM 4165 OH2 TIP3 770 -24.674 13.695 -11.932 0.00 0.00 WAT1 ATOM 4166 H1 TIP3 770 -24.631 14.555 -12.350 0.00 0.00 WAT1 ATOM 4167 H2 TIP3 770 -25.132 13.143 -12.565 0.00 0.00 WAT1 ATOM 4168 OH2 TIP3 771 -16.952 13.826 -13.531 0.00 0.00 WAT1 ATOM 4169 H1 TIP3 771 -16.306 13.497 -12.906 0.00 0.00 WAT1 ATOM 4170 H2 TIP3 771 -16.442 14.344 -14.154 0.00 0.00 WAT1 ATOM 4171 OH2 TIP3 772 -28.054 16.092 -11.170 0.00 0.00 WAT1 ATOM 4172 H1 TIP3 772 -27.400 15.542 -10.738 0.00 0.00 WAT1 ATOM 4173 H2 TIP3 772 -28.030 15.818 -12.086 0.00 0.00 WAT1 ATOM 4174 OH2 TIP3 773 -22.898 17.642 -11.954 0.00 0.00 WAT1 ATOM 4175 H1 TIP3 773 -22.282 17.116 -11.445 0.00 0.00 WAT1 ATOM 4176 H2 TIP3 773 -23.484 17.002 -12.358 0.00 0.00 WAT1 ATOM 4177 OH2 TIP3 774 -25.864 12.613 -7.858 0.00 0.00 WAT1 ATOM 4178 H1 TIP3 774 -26.083 13.143 -8.624 0.00 0.00 WAT1 ATOM 4179 H2 TIP3 774 -26.532 12.840 -7.210 0.00 0.00 WAT1 ATOM 4180 OH2 TIP3 775 -15.188 13.117 -11.550 0.00 0.00 WAT1 ATOM 4181 H1 TIP3 775 -15.403 12.351 -11.018 0.00 0.00 WAT1 ATOM 4182 H2 TIP3 775 -14.532 13.589 -11.037 0.00 0.00 WAT1 ATOM 4183 OH2 TIP3 776 -26.270 14.505 -9.905 0.00 0.00 WAT1 ATOM 4184 H1 TIP3 776 -25.657 15.138 -9.532 0.00 0.00 WAT1 ATOM 4185 H2 TIP3 776 -25.758 14.033 -10.562 0.00 0.00 WAT1 ATOM 4186 OH2 TIP3 777 -28.766 21.924 -16.001 0.00 0.00 WAT1 ATOM 4187 H1 TIP3 777 -29.038 22.153 -16.890 0.00 0.00 WAT1 ATOM 4188 H2 TIP3 777 -28.721 22.762 -15.541 0.00 0.00 WAT1 ATOM 4189 OH2 TIP3 778 -14.841 11.832 -7.871 0.00 0.00 WAT1 ATOM 4190 H1 TIP3 778 -15.577 12.443 -7.909 0.00 0.00 WAT1 ATOM 4191 H2 TIP3 778 -14.157 12.247 -8.397 0.00 0.00 WAT1 ATOM 4192 OH2 TIP3 779 -19.571 18.756 -15.905 0.00 0.00 WAT1 ATOM 4193 H1 TIP3 779 -20.283 19.291 -16.256 0.00 0.00 WAT1 ATOM 4194 H2 TIP3 779 -18.880 18.812 -16.565 0.00 0.00 WAT1 ATOM 4195 OH2 TIP3 780 -16.165 18.966 -14.953 0.00 0.00 WAT1 ATOM 4196 H1 TIP3 780 -16.897 19.194 -14.380 0.00 0.00 WAT1 ATOM 4197 H2 TIP3 780 -15.718 18.252 -14.498 0.00 0.00 WAT1 ATOM 4198 OH2 TIP3 781 -24.520 19.596 -13.070 0.00 0.00 WAT1 ATOM 4199 H1 TIP3 781 -24.850 19.226 -13.889 0.00 0.00 WAT1 ATOM 4200 H2 TIP3 781 -23.932 18.926 -12.724 0.00 0.00 WAT1 ATOM 4201 OH2 TIP3 782 -25.530 18.666 -15.481 0.00 0.00 WAT1 ATOM 4202 H1 TIP3 782 -25.822 19.434 -15.972 0.00 0.00 WAT1 ATOM 4203 H2 TIP3 782 -26.204 18.006 -15.644 0.00 0.00 WAT1 ATOM 4204 OH2 TIP3 783 -24.569 10.822 -9.627 0.00 0.00 WAT1 ATOM 4205 H1 TIP3 783 -25.430 10.735 -10.035 0.00 0.00 WAT1 ATOM 4206 H2 TIP3 783 -24.591 11.678 -9.200 0.00 0.00 WAT1 ATOM 4207 OH2 TIP3 784 -19.906 10.544 -6.253 0.00 0.00 WAT1 ATOM 4208 H1 TIP3 784 -19.486 10.129 -5.500 0.00 0.00 WAT1 ATOM 4209 H2 TIP3 784 -20.839 10.366 -6.136 0.00 0.00 WAT1 ATOM 4210 OH2 TIP3 785 -15.817 19.161 -19.638 0.00 0.00 WAT1 ATOM 4211 H1 TIP3 785 -15.775 18.938 -20.568 0.00 0.00 WAT1 ATOM 4212 H2 TIP3 785 -14.968 19.559 -19.448 0.00 0.00 WAT1 ATOM 4213 OH2 TIP3 786 -24.478 15.788 -8.532 0.00 0.00 WAT1 ATOM 4214 H1 TIP3 786 -25.120 15.747 -7.823 0.00 0.00 WAT1 ATOM 4215 H2 TIP3 786 -24.441 16.714 -8.770 0.00 0.00 WAT1 ATOM 4216 OH2 TIP3 787 -24.481 16.009 -13.620 0.00 0.00 WAT1 ATOM 4217 H1 TIP3 787 -25.374 15.668 -13.679 0.00 0.00 WAT1 ATOM 4218 H2 TIP3 787 -24.030 15.632 -14.376 0.00 0.00 WAT1 ATOM 4219 OH2 TIP3 788 -17.941 15.871 -11.989 0.00 0.00 WAT1 ATOM 4220 H1 TIP3 788 -18.136 16.476 -12.704 0.00 0.00 WAT1 ATOM 4221 H2 TIP3 788 -17.759 15.037 -12.424 0.00 0.00 WAT1 ATOM 4222 OH2 TIP3 789 -30.120 13.224 -12.815 0.00 0.00 WAT1 ATOM 4223 H1 TIP3 789 -29.489 13.195 -12.095 0.00 0.00 WAT1 ATOM 4224 H2 TIP3 789 -29.670 12.799 -13.545 0.00 0.00 WAT1 ATOM 4225 OH2 TIP3 790 -27.071 15.065 -13.707 0.00 0.00 WAT1 ATOM 4226 H1 TIP3 790 -27.960 15.165 -14.047 0.00 0.00 WAT1 ATOM 4227 H2 TIP3 790 -26.775 14.223 -14.053 0.00 0.00 WAT1 ATOM 4228 OH2 TIP3 791 -17.494 12.671 -9.270 0.00 0.00 WAT1 ATOM 4229 H1 TIP3 791 -18.171 12.802 -8.606 0.00 0.00 WAT1 ATOM 4230 H2 TIP3 791 -17.980 12.516 -10.080 0.00 0.00 WAT1 ATOM 4231 OH2 TIP3 792 -20.579 16.224 -10.647 0.00 0.00 WAT1 ATOM 4232 H1 TIP3 792 -20.015 15.677 -11.194 0.00 0.00 WAT1 ATOM 4233 H2 TIP3 792 -20.727 15.702 -9.858 0.00 0.00 WAT1 ATOM 4234 OH2 TIP3 793 -21.953 14.612 -8.233 0.00 0.00 WAT1 ATOM 4235 H1 TIP3 793 -22.788 15.066 -8.123 0.00 0.00 WAT1 ATOM 4236 H2 TIP3 793 -21.429 14.888 -7.481 0.00 0.00 WAT1 ATOM 4237 OH2 TIP3 794 -21.409 20.825 -16.548 0.00 0.00 WAT1 ATOM 4238 H1 TIP3 794 -22.153 20.318 -16.871 0.00 0.00 WAT1 ATOM 4239 H2 TIP3 794 -21.543 20.874 -15.602 0.00 0.00 WAT1 ATOM 4240 OH2 TIP3 795 -19.283 22.284 -17.523 0.00 0.00 WAT1 ATOM 4241 H1 TIP3 795 -19.578 23.110 -17.141 0.00 0.00 WAT1 ATOM 4242 H2 TIP3 795 -19.986 21.664 -17.327 0.00 0.00 WAT1 ATOM 4243 OH2 TIP3 796 -11.908 15.716 -16.994 0.00 0.00 WAT1 ATOM 4244 H1 TIP3 796 -12.462 15.320 -17.666 0.00 0.00 WAT1 ATOM 4245 H2 TIP3 796 -11.807 16.626 -17.271 0.00 0.00 WAT1 ATOM 4246 OH2 TIP3 797 -15.354 21.151 -16.482 0.00 0.00 WAT1 ATOM 4247 H1 TIP3 797 -15.631 20.423 -15.926 0.00 0.00 WAT1 ATOM 4248 H2 TIP3 797 -14.427 21.270 -16.276 0.00 0.00 WAT1 ATOM 4249 OH2 TIP3 798 -26.739 20.413 -17.295 0.00 0.00 WAT1 ATOM 4250 H1 TIP3 798 -27.425 20.765 -16.728 0.00 0.00 WAT1 ATOM 4251 H2 TIP3 798 -26.216 21.176 -17.541 0.00 0.00 WAT1 ATOM 4252 OH2 TIP3 799 -18.907 13.075 -7.016 0.00 0.00 WAT1 ATOM 4253 H1 TIP3 799 -18.209 13.149 -6.366 0.00 0.00 WAT1 ATOM 4254 H2 TIP3 799 -19.288 12.211 -6.861 0.00 0.00 WAT1 ATOM 4255 OH2 TIP3 800 -26.123 23.027 -18.398 0.00 0.00 WAT1 ATOM 4256 H1 TIP3 800 -25.531 23.726 -18.122 0.00 0.00 WAT1 ATOM 4257 H2 TIP3 800 -25.664 22.594 -19.117 0.00 0.00 WAT1 ATOM 4258 OH2 TIP3 801 -24.532 21.180 -20.032 0.00 0.00 WAT1 ATOM 4259 H1 TIP3 801 -24.468 20.386 -19.501 0.00 0.00 WAT1 ATOM 4260 H2 TIP3 801 -23.879 21.061 -20.721 0.00 0.00 WAT1 ATOM 4261 OH2 TIP3 802 -19.180 22.227 -20.296 0.00 0.00 WAT1 ATOM 4262 H1 TIP3 802 -19.448 22.407 -19.395 0.00 0.00 WAT1 ATOM 4263 H2 TIP3 802 -19.386 21.301 -20.427 0.00 0.00 WAT1 ATOM 4264 OH2 TIP3 803 -23.383 19.152 -17.726 0.00 0.00 WAT1 ATOM 4265 H1 TIP3 803 -23.842 18.668 -17.040 0.00 0.00 WAT1 ATOM 4266 H2 TIP3 803 -23.128 18.484 -18.362 0.00 0.00 WAT1 ATOM 4267 OH2 TIP3 804 -12.922 19.750 -20.018 0.00 0.00 WAT1 ATOM 4268 H1 TIP3 804 -13.195 19.325 -20.831 0.00 0.00 WAT1 ATOM 4269 H2 TIP3 804 -12.882 20.681 -20.235 0.00 0.00 WAT1 ATOM 4270 OH2 TIP3 805 -23.342 12.770 -6.795 0.00 0.00 WAT1 ATOM 4271 H1 TIP3 805 -22.806 13.221 -7.447 0.00 0.00 WAT1 ATOM 4272 H2 TIP3 805 -24.194 12.662 -7.217 0.00 0.00 WAT1 ATOM 4273 OH2 TIP3 806 -22.536 10.226 -6.363 0.00 0.00 WAT1 ATOM 4274 H1 TIP3 806 -22.634 11.173 -6.469 0.00 0.00 WAT1 ATOM 4275 H2 TIP3 806 -23.279 9.854 -6.839 0.00 0.00 WAT1 ATOM 4276 OH2 TIP3 807 -22.314 9.520 -3.692 0.00 0.00 WAT1 ATOM 4277 H1 TIP3 807 -21.602 8.880 -3.706 0.00 0.00 WAT1 ATOM 4278 H2 TIP3 807 -22.415 9.787 -4.606 0.00 0.00 WAT1 ATOM 4279 OH2 TIP3 808 -28.846 22.722 -18.979 0.00 0.00 WAT1 ATOM 4280 H1 TIP3 808 -27.932 22.801 -18.706 0.00 0.00 WAT1 ATOM 4281 H2 TIP3 808 -28.839 22.035 -19.646 0.00 0.00 WAT1 ATOM 4282 OH2 TIP3 809 -11.801 18.573 -17.828 0.00 0.00 WAT1 ATOM 4283 H1 TIP3 809 -12.322 18.930 -18.547 0.00 0.00 WAT1 ATOM 4284 H2 TIP3 809 -11.834 19.248 -17.150 0.00 0.00 WAT1 ATOM 4285 OH2 TIP3 810 -14.282 17.193 -13.656 0.00 0.00 WAT1 ATOM 4286 H1 TIP3 810 -14.432 16.248 -13.676 0.00 0.00 WAT1 ATOM 4287 H2 TIP3 810 -14.636 17.474 -12.812 0.00 0.00 WAT1 ATOM 4288 OH2 TIP3 811 -14.572 14.776 -15.194 0.00 0.00 WAT1 ATOM 4289 H1 TIP3 811 -14.292 13.869 -15.069 0.00 0.00 WAT1 ATOM 4290 H2 TIP3 811 -13.813 15.210 -15.583 0.00 0.00 WAT1 ATOM 4291 OH2 TIP3 812 -13.960 15.357 -9.758 0.00 0.00 WAT1 ATOM 4292 H1 TIP3 812 -13.027 15.569 -9.792 0.00 0.00 WAT1 ATOM 4293 H2 TIP3 812 -14.195 15.459 -8.835 0.00 0.00 WAT1 ATOM 4294 OH2 TIP3 813 -28.428 12.854 -10.614 0.00 0.00 WAT1 ATOM 4295 H1 TIP3 813 -27.983 12.062 -10.312 0.00 0.00 WAT1 ATOM 4296 H2 TIP3 813 -27.962 13.570 -10.183 0.00 0.00 WAT1 ATOM 4297 OH2 TIP3 814 -30.124 15.853 -9.545 0.00 0.00 WAT1 ATOM 4298 H1 TIP3 814 -29.632 15.632 -10.335 0.00 0.00 WAT1 ATOM 4299 H2 TIP3 814 -29.762 16.694 -9.264 0.00 0.00 WAT1 ATOM 4300 OH2 TIP3 815 -29.847 10.849 -7.146 0.00 0.00 WAT1 ATOM 4301 H1 TIP3 815 -30.512 10.603 -6.503 0.00 0.00 WAT1 ATOM 4302 H2 TIP3 815 -30.290 11.471 -7.723 0.00 0.00 WAT1 ATOM 4303 OH2 TIP3 816 -13.127 10.273 -5.460 0.00 0.00 WAT1 ATOM 4304 H1 TIP3 816 -13.940 10.598 -5.848 0.00 0.00 WAT1 ATOM 4305 H2 TIP3 816 -12.894 9.513 -5.993 0.00 0.00 WAT1 ATOM 4306 OH2 TIP3 817 -14.555 9.829 -11.025 0.00 0.00 WAT1 ATOM 4307 H1 TIP3 817 -13.951 10.377 -11.526 0.00 0.00 WAT1 ATOM 4308 H2 TIP3 817 -15.424 10.149 -11.265 0.00 0.00 WAT1 ATOM 4309 OH2 TIP3 818 -17.018 9.553 -2.080 0.00 0.00 WAT1 ATOM 4310 H1 TIP3 818 -16.942 9.127 -1.226 0.00 0.00 WAT1 ATOM 4311 H2 TIP3 818 -16.125 9.567 -2.422 0.00 0.00 WAT1 ATOM 4312 OH2 TIP3 819 -8.135 -19.330 -46.057 0.00 0.00 WAT1 ATOM 4313 H1 TIP3 819 -8.093 -19.956 -45.333 0.00 0.00 WAT1 ATOM 4314 H2 TIP3 819 -7.432 -18.707 -45.875 0.00 0.00 WAT1 ATOM 4315 OH2 TIP3 820 -7.211 -14.880 -47.522 0.00 0.00 WAT1 ATOM 4316 H1 TIP3 820 -7.581 -15.682 -47.891 0.00 0.00 WAT1 ATOM 4317 H2 TIP3 820 -6.270 -15.049 -47.475 0.00 0.00 WAT1 ATOM 4318 OH2 TIP3 821 -4.439 -17.423 -45.282 0.00 0.00 WAT1 ATOM 4319 H1 TIP3 821 -5.179 -16.825 -45.179 0.00 0.00 WAT1 ATOM 4320 H2 TIP3 821 -3.725 -16.869 -45.598 0.00 0.00 WAT1 ATOM 4321 OH2 TIP3 822 -6.031 -15.459 -44.495 0.00 0.00 WAT1 ATOM 4322 H1 TIP3 822 -6.037 -14.580 -44.873 0.00 0.00 WAT1 ATOM 4323 H2 TIP3 822 -6.885 -15.542 -44.070 0.00 0.00 WAT1 ATOM 4324 OH2 TIP3 823 -4.417 -14.948 -42.432 0.00 0.00 WAT1 ATOM 4325 H1 TIP3 823 -4.729 -14.166 -41.976 0.00 0.00 WAT1 ATOM 4326 H2 TIP3 823 -5.067 -15.101 -43.118 0.00 0.00 WAT1 ATOM 4327 OH2 TIP3 824 -7.497 -18.750 -43.203 0.00 0.00 WAT1 ATOM 4328 H1 TIP3 824 -7.427 -18.099 -42.505 0.00 0.00 WAT1 ATOM 4329 H2 TIP3 824 -8.388 -18.647 -43.538 0.00 0.00 WAT1 ATOM 4330 OH2 TIP3 825 -10.830 -13.903 -47.494 0.00 0.00 WAT1 ATOM 4331 H1 TIP3 825 -9.884 -14.047 -47.513 0.00 0.00 WAT1 ATOM 4332 H2 TIP3 825 -10.943 -13.119 -46.957 0.00 0.00 WAT1 ATOM 4333 OH2 TIP3 826 -7.586 -11.102 -51.349 0.00 0.00 WAT1 ATOM 4334 H1 TIP3 826 -7.434 -11.450 -50.470 0.00 0.00 WAT1 ATOM 4335 H2 TIP3 826 -8.437 -11.458 -51.604 0.00 0.00 WAT1 ATOM 4336 OH2 TIP3 827 -7.753 -16.895 -41.097 0.00 0.00 WAT1 ATOM 4337 H1 TIP3 827 -7.020 -16.641 -40.536 0.00 0.00 WAT1 ATOM 4338 H2 TIP3 827 -8.533 -16.691 -40.582 0.00 0.00 WAT1 ATOM 4339 OH2 TIP3 828 -7.428 -17.592 -48.491 0.00 0.00 WAT1 ATOM 4340 H1 TIP3 828 -6.683 -17.594 -49.092 0.00 0.00 WAT1 ATOM 4341 H2 TIP3 828 -7.350 -18.416 -48.009 0.00 0.00 WAT1 ATOM 4342 OH2 TIP3 829 -10.420 -19.131 -43.176 0.00 0.00 WAT1 ATOM 4343 H1 TIP3 829 -10.197 -19.549 -42.344 0.00 0.00 WAT1 ATOM 4344 H2 TIP3 829 -11.022 -19.744 -43.598 0.00 0.00 WAT1 ATOM 4345 OH2 TIP3 830 -3.111 -12.262 -45.195 0.00 0.00 WAT1 ATOM 4346 H1 TIP3 830 -2.748 -11.407 -45.428 0.00 0.00 WAT1 ATOM 4347 H2 TIP3 830 -2.579 -12.554 -44.454 0.00 0.00 WAT1 ATOM 4348 OH2 TIP3 831 -5.327 -11.767 -39.210 0.00 0.00 WAT1 ATOM 4349 H1 TIP3 831 -4.559 -12.226 -38.869 0.00 0.00 WAT1 ATOM 4350 H2 TIP3 831 -5.348 -11.993 -40.140 0.00 0.00 WAT1 ATOM 4351 OH2 TIP3 832 -10.017 -16.876 -39.876 0.00 0.00 WAT1 ATOM 4352 H1 TIP3 832 -9.873 -17.778 -40.162 0.00 0.00 WAT1 ATOM 4353 H2 TIP3 832 -10.790 -16.590 -40.364 0.00 0.00 WAT1 ATOM 4354 OH2 TIP3 833 -9.185 -19.676 -40.456 0.00 0.00 WAT1 ATOM 4355 H1 TIP3 833 -8.777 -20.533 -40.577 0.00 0.00 WAT1 ATOM 4356 H2 TIP3 833 -9.445 -19.661 -39.535 0.00 0.00 WAT1 ATOM 4357 OH2 TIP3 834 -11.341 -9.597 -51.614 0.00 0.00 WAT1 ATOM 4358 H1 TIP3 834 -11.988 -10.059 -52.147 0.00 0.00 WAT1 ATOM 4359 H2 TIP3 834 -10.986 -10.269 -51.031 0.00 0.00 WAT1 ATOM 4360 OH2 TIP3 835 -10.471 -11.516 -49.809 0.00 0.00 WAT1 ATOM 4361 H1 TIP3 835 -10.805 -12.397 -49.637 0.00 0.00 WAT1 ATOM 4362 H2 TIP3 835 -10.249 -11.171 -48.945 0.00 0.00 WAT1 ATOM 4363 OH2 TIP3 836 -10.391 -18.441 -47.358 0.00 0.00 WAT1 ATOM 4364 H1 TIP3 836 -10.207 -18.523 -48.293 0.00 0.00 WAT1 ATOM 4365 H2 TIP3 836 -9.542 -18.565 -46.934 0.00 0.00 WAT1 ATOM 4366 OH2 TIP3 837 -5.845 -12.713 -44.455 0.00 0.00 WAT1 ATOM 4367 H1 TIP3 837 -6.270 -11.904 -44.738 0.00 0.00 WAT1 ATOM 4368 H2 TIP3 837 -4.940 -12.628 -44.757 0.00 0.00 WAT1 ATOM 4369 OH2 TIP3 838 -1.534 -11.314 -41.496 0.00 0.00 WAT1 ATOM 4370 H1 TIP3 838 -1.349 -11.648 -40.618 0.00 0.00 WAT1 ATOM 4371 H2 TIP3 838 -0.687 -11.005 -41.818 0.00 0.00 WAT1 ATOM 4372 OH2 TIP3 839 -6.887 -12.124 -48.842 0.00 0.00 WAT1 ATOM 4373 H1 TIP3 839 -7.106 -13.040 -48.673 0.00 0.00 WAT1 ATOM 4374 H2 TIP3 839 -6.063 -11.984 -48.376 0.00 0.00 WAT1 ATOM 4375 OH2 TIP3 840 -4.350 -11.654 -47.994 0.00 0.00 WAT1 ATOM 4376 H1 TIP3 840 -4.137 -12.542 -48.281 0.00 0.00 WAT1 ATOM 4377 H2 TIP3 840 -4.285 -11.688 -47.039 0.00 0.00 WAT1 ATOM 4378 OH2 TIP3 841 -7.211 -14.880 -28.666 0.00 0.00 WAT1 ATOM 4379 H1 TIP3 841 -7.581 -15.682 -29.035 0.00 0.00 WAT1 ATOM 4380 H2 TIP3 841 -6.270 -15.049 -28.619 0.00 0.00 WAT1 ATOM 4381 OH2 TIP3 842 0.314 -10.901 -30.280 0.00 0.00 WAT1 ATOM 4382 H1 TIP3 842 0.934 -11.578 -30.553 0.00 0.00 WAT1 ATOM 4383 H2 TIP3 842 0.106 -11.119 -29.372 0.00 0.00 WAT1 ATOM 4384 OH2 TIP3 843 -2.114 -16.512 -28.388 0.00 0.00 WAT1 ATOM 4385 H1 TIP3 843 -1.810 -17.198 -28.982 0.00 0.00 WAT1 ATOM 4386 H2 TIP3 843 -1.392 -16.394 -27.770 0.00 0.00 WAT1 ATOM 4387 OH2 TIP3 844 -4.439 -17.423 -26.426 0.00 0.00 WAT1 ATOM 4388 H1 TIP3 844 -5.179 -16.825 -26.323 0.00 0.00 WAT1 ATOM 4389 H2 TIP3 844 -3.725 -16.869 -26.742 0.00 0.00 WAT1 ATOM 4390 OH2 TIP3 845 -6.031 -15.459 -25.639 0.00 0.00 WAT1 ATOM 4391 H1 TIP3 845 -6.037 -14.580 -26.017 0.00 0.00 WAT1 ATOM 4392 H2 TIP3 845 -6.885 -15.542 -25.214 0.00 0.00 WAT1 ATOM 4393 OH2 TIP3 846 -9.910 -15.788 -34.857 0.00 0.00 WAT1 ATOM 4394 H1 TIP3 846 -10.182 -15.559 -35.746 0.00 0.00 WAT1 ATOM 4395 H2 TIP3 846 -9.865 -14.950 -34.397 0.00 0.00 WAT1 ATOM 4396 OH2 TIP3 847 4.812 -15.918 -24.533 0.00 0.00 WAT1 ATOM 4397 H1 TIP3 847 4.952 -16.509 -25.272 0.00 0.00 WAT1 ATOM 4398 H2 TIP3 847 4.980 -15.045 -24.889 0.00 0.00 WAT1 ATOM 4399 OH2 TIP3 848 -4.297 -14.688 -29.245 0.00 0.00 WAT1 ATOM 4400 H1 TIP3 848 -4.392 -15.266 -30.002 0.00 0.00 WAT1 ATOM 4401 H2 TIP3 848 -3.568 -15.059 -28.749 0.00 0.00 WAT1 ATOM 4402 OH2 TIP3 849 1.012 -13.844 -27.559 0.00 0.00 WAT1 ATOM 4403 H1 TIP3 849 0.771 -13.182 -26.911 0.00 0.00 WAT1 ATOM 4404 H2 TIP3 849 0.814 -14.678 -27.134 0.00 0.00 WAT1 ATOM 4405 OH2 TIP3 850 -7.497 -18.750 -24.347 0.00 0.00 WAT1 ATOM 4406 H1 TIP3 850 -7.427 -18.099 -23.649 0.00 0.00 WAT1 ATOM 4407 H2 TIP3 850 -8.388 -18.647 -24.682 0.00 0.00 WAT1 ATOM 4408 OH2 TIP3 851 -10.581 -16.683 -25.522 0.00 0.00 WAT1 ATOM 4409 H1 TIP3 851 -11.082 -16.711 -26.337 0.00 0.00 WAT1 ATOM 4410 H2 TIP3 851 -10.575 -17.589 -25.212 0.00 0.00 WAT1 ATOM 4411 OH2 TIP3 852 -10.830 -13.903 -28.638 0.00 0.00 WAT1 ATOM 4412 H1 TIP3 852 -9.884 -14.047 -28.657 0.00 0.00 WAT1 ATOM 4413 H2 TIP3 852 -10.943 -13.119 -28.101 0.00 0.00 WAT1 ATOM 4414 OH2 TIP3 853 -7.586 -11.102 -32.493 0.00 0.00 WAT1 ATOM 4415 H1 TIP3 853 -7.434 -11.450 -31.614 0.00 0.00 WAT1 ATOM 4416 H2 TIP3 853 -8.437 -11.458 -32.748 0.00 0.00 WAT1 ATOM 4417 OH2 TIP3 854 -8.332 -15.360 -24.479 0.00 0.00 WAT1 ATOM 4418 H1 TIP3 854 -8.115 -15.721 -23.619 0.00 0.00 WAT1 ATOM 4419 H2 TIP3 854 -9.187 -15.734 -24.689 0.00 0.00 WAT1 ATOM 4420 OH2 TIP3 855 -0.987 -21.112 -22.171 0.00 0.00 WAT1 ATOM 4421 H1 TIP3 855 -1.550 -21.816 -21.851 0.00 0.00 WAT1 ATOM 4422 H2 TIP3 855 -0.161 -21.232 -21.704 0.00 0.00 WAT1 ATOM 4423 OH2 TIP3 856 4.649 -9.369 -21.849 0.00 0.00 WAT1 ATOM 4424 H1 TIP3 856 4.849 -8.945 -22.684 0.00 0.00 WAT1 ATOM 4425 H2 TIP3 856 5.305 -9.026 -21.242 0.00 0.00 WAT1 ATOM 4426 OH2 TIP3 857 -7.753 -16.895 -22.241 0.00 0.00 WAT1 ATOM 4427 H1 TIP3 857 -7.020 -16.641 -21.680 0.00 0.00 WAT1 ATOM 4428 H2 TIP3 857 -8.533 -16.691 -21.726 0.00 0.00 WAT1 ATOM 4429 OH2 TIP3 858 -1.033 -16.703 -24.167 0.00 0.00 WAT1 ATOM 4430 H1 TIP3 858 -1.379 -17.084 -23.361 0.00 0.00 WAT1 ATOM 4431 H2 TIP3 858 -1.233 -15.769 -24.096 0.00 0.00 WAT1 ATOM 4432 OH2 TIP3 859 -10.420 -19.131 -24.320 0.00 0.00 WAT1 ATOM 4433 H1 TIP3 859 -10.197 -19.549 -23.488 0.00 0.00 WAT1 ATOM 4434 H2 TIP3 859 -11.022 -19.744 -24.742 0.00 0.00 WAT1 ATOM 4435 OH2 TIP3 860 -3.403 -19.614 -22.107 0.00 0.00 WAT1 ATOM 4436 H1 TIP3 860 -3.699 -19.780 -23.002 0.00 0.00 WAT1 ATOM 4437 H2 TIP3 860 -2.472 -19.834 -22.117 0.00 0.00 WAT1 ATOM 4438 OH2 TIP3 861 1.217 -14.241 -24.217 0.00 0.00 WAT1 ATOM 4439 H1 TIP3 861 0.316 -14.058 -24.485 0.00 0.00 WAT1 ATOM 4440 H2 TIP3 861 1.251 -13.982 -23.296 0.00 0.00 WAT1 ATOM 4441 OH2 TIP3 862 -9.298 -19.212 -37.643 0.00 0.00 WAT1 ATOM 4442 H1 TIP3 862 -8.682 -18.585 -37.264 0.00 0.00 WAT1 ATOM 4443 H2 TIP3 862 -10.160 -18.896 -37.372 0.00 0.00 WAT1 ATOM 4444 OH2 TIP3 863 -3.111 -12.262 -26.339 0.00 0.00 WAT1 ATOM 4445 H1 TIP3 863 -2.748 -11.407 -26.572 0.00 0.00 WAT1 ATOM 4446 H2 TIP3 863 -2.579 -12.554 -25.598 0.00 0.00 WAT1 ATOM 4447 OH2 TIP3 864 -4.942 -11.389 -33.109 0.00 0.00 WAT1 ATOM 4448 H1 TIP3 864 -5.892 -11.284 -33.057 0.00 0.00 WAT1 ATOM 4449 H2 TIP3 864 -4.591 -10.569 -32.764 0.00 0.00 WAT1 ATOM 4450 OH2 TIP3 865 0.433 -16.163 -26.638 0.00 0.00 WAT1 ATOM 4451 H1 TIP3 865 0.007 -16.390 -25.812 0.00 0.00 WAT1 ATOM 4452 H2 TIP3 865 1.014 -16.901 -26.821 0.00 0.00 WAT1 ATOM 4453 OH2 TIP3 866 3.092 -11.611 -24.169 0.00 0.00 WAT1 ATOM 4454 H1 TIP3 866 2.490 -12.166 -24.664 0.00 0.00 WAT1 ATOM 4455 H2 TIP3 866 3.373 -10.944 -24.795 0.00 0.00 WAT1 ATOM 4456 OH2 TIP3 867 -9.135 -12.573 -26.327 0.00 0.00 WAT1 ATOM 4457 H1 TIP3 867 -8.918 -13.505 -26.358 0.00 0.00 WAT1 ATOM 4458 H2 TIP3 867 -8.888 -12.299 -25.443 0.00 0.00 WAT1 ATOM 4459 OH2 TIP3 868 -3.273 -14.122 -39.117 0.00 0.00 WAT1 ATOM 4460 H1 TIP3 868 -3.034 -14.870 -39.665 0.00 0.00 WAT1 ATOM 4461 H2 TIP3 868 -3.542 -14.510 -38.285 0.00 0.00 WAT1 ATOM 4462 OH2 TIP3 869 -4.336 -14.552 -36.661 0.00 0.00 WAT1 ATOM 4463 H1 TIP3 869 -4.189 -15.072 -35.871 0.00 0.00 WAT1 ATOM 4464 H2 TIP3 869 -4.339 -13.645 -36.355 0.00 0.00 WAT1 ATOM 4465 OH2 TIP3 870 -7.883 -17.299 -36.151 0.00 0.00 WAT1 ATOM 4466 H1 TIP3 870 -8.569 -16.947 -35.584 0.00 0.00 WAT1 ATOM 4467 H2 TIP3 870 -7.360 -16.536 -36.397 0.00 0.00 WAT1 ATOM 4468 OH2 TIP3 871 -4.260 -11.811 -35.930 0.00 0.00 WAT1 ATOM 4469 H1 TIP3 871 -4.099 -11.011 -36.431 0.00 0.00 WAT1 ATOM 4470 H2 TIP3 871 -4.457 -11.504 -35.045 0.00 0.00 WAT1 ATOM 4471 OH2 TIP3 872 -7.267 -14.685 -37.254 0.00 0.00 WAT1 ATOM 4472 H1 TIP3 872 -6.675 -13.986 -36.978 0.00 0.00 WAT1 ATOM 4473 H2 TIP3 872 -6.808 -15.118 -37.973 0.00 0.00 WAT1 ATOM 4474 OH2 TIP3 873 -9.213 -13.299 -33.304 0.00 0.00 WAT1 ATOM 4475 H1 TIP3 873 -10.045 -12.826 -33.277 0.00 0.00 WAT1 ATOM 4476 H2 TIP3 873 -8.667 -12.789 -33.903 0.00 0.00 WAT1 ATOM 4477 OH2 TIP3 874 -10.017 -16.876 -21.020 0.00 0.00 WAT1 ATOM 4478 H1 TIP3 874 -9.873 -17.778 -21.306 0.00 0.00 WAT1 ATOM 4479 H2 TIP3 874 -10.790 -16.590 -21.508 0.00 0.00 WAT1 ATOM 4480 OH2 TIP3 875 -5.676 -16.532 -38.888 0.00 0.00 WAT1 ATOM 4481 H1 TIP3 875 -5.612 -17.326 -38.357 0.00 0.00 WAT1 ATOM 4482 H2 TIP3 875 -5.023 -16.651 -39.577 0.00 0.00 WAT1 ATOM 4483 OH2 TIP3 876 2.373 -16.990 -24.204 0.00 0.00 WAT1 ATOM 4484 H1 TIP3 876 3.118 -16.402 -24.324 0.00 0.00 WAT1 ATOM 4485 H2 TIP3 876 1.616 -16.408 -24.141 0.00 0.00 WAT1 ATOM 4486 OH2 TIP3 877 -9.185 -19.676 -21.600 0.00 0.00 WAT1 ATOM 4487 H1 TIP3 877 -8.777 -20.533 -21.721 0.00 0.00 WAT1 ATOM 4488 H2 TIP3 877 -9.445 -19.661 -20.679 0.00 0.00 WAT1 ATOM 4489 OH2 TIP3 878 -5.238 -20.667 -24.226 0.00 0.00 WAT1 ATOM 4490 H1 TIP3 878 -5.856 -19.992 -23.945 0.00 0.00 WAT1 ATOM 4491 H2 TIP3 878 -4.894 -20.346 -25.059 0.00 0.00 WAT1 ATOM 4492 OH2 TIP3 879 -0.218 -18.196 -20.948 0.00 0.00 WAT1 ATOM 4493 H1 TIP3 879 0.735 -18.112 -20.976 0.00 0.00 WAT1 ATOM 4494 H2 TIP3 879 -0.378 -18.907 -20.329 0.00 0.00 WAT1 ATOM 4495 OH2 TIP3 880 -2.904 -19.503 -25.411 0.00 0.00 WAT1 ATOM 4496 H1 TIP3 880 -2.153 -19.659 -25.984 0.00 0.00 WAT1 ATOM 4497 H2 TIP3 880 -3.243 -18.651 -25.687 0.00 0.00 WAT1 ATOM 4498 OH2 TIP3 881 2.828 -18.899 -22.305 0.00 0.00 WAT1 ATOM 4499 H1 TIP3 881 2.547 -18.190 -22.883 0.00 0.00 WAT1 ATOM 4500 H2 TIP3 881 3.771 -18.972 -22.456 0.00 0.00 WAT1 ATOM 4501 OH2 TIP3 882 -6.420 -22.114 -21.232 0.00 0.00 WAT1 ATOM 4502 H1 TIP3 882 -7.187 -22.646 -21.442 0.00 0.00 WAT1 ATOM 4503 H2 TIP3 882 -5.741 -22.424 -21.831 0.00 0.00 WAT1 ATOM 4504 OH2 TIP3 883 -3.558 -9.626 -37.318 0.00 0.00 WAT1 ATOM 4505 H1 TIP3 883 -2.625 -9.468 -37.174 0.00 0.00 WAT1 ATOM 4506 H2 TIP3 883 -3.822 -8.951 -37.943 0.00 0.00 WAT1 ATOM 4507 OH2 TIP3 884 -10.471 -11.516 -30.953 0.00 0.00 WAT1 ATOM 4508 H1 TIP3 884 -10.805 -12.397 -30.781 0.00 0.00 WAT1 ATOM 4509 H2 TIP3 884 -10.249 -11.171 -30.089 0.00 0.00 WAT1 ATOM 4510 OH2 TIP3 885 5.092 -15.350 -20.413 0.00 0.00 WAT1 ATOM 4511 H1 TIP3 885 4.226 -15.455 -20.019 0.00 0.00 WAT1 ATOM 4512 H2 TIP3 885 5.468 -14.591 -19.966 0.00 0.00 WAT1 ATOM 4513 OH2 TIP3 886 5.033 -13.377 -25.820 0.00 0.00 WAT1 ATOM 4514 H1 TIP3 886 4.385 -13.052 -25.195 0.00 0.00 WAT1 ATOM 4515 H2 TIP3 886 4.515 -13.817 -26.495 0.00 0.00 WAT1 ATOM 4516 OH2 TIP3 887 -5.845 -12.713 -25.599 0.00 0.00 WAT1 ATOM 4517 H1 TIP3 887 -6.270 -11.904 -25.882 0.00 0.00 WAT1 ATOM 4518 H2 TIP3 887 -4.940 -12.628 -25.901 0.00 0.00 WAT1 ATOM 4519 OH2 TIP3 888 -5.976 -9.857 -26.522 0.00 0.00 WAT1 ATOM 4520 H1 TIP3 888 -6.841 -9.785 -26.118 0.00 0.00 WAT1 ATOM 4521 H2 TIP3 888 -6.031 -9.310 -27.306 0.00 0.00 WAT1 ATOM 4522 OH2 TIP3 889 -1.265 -9.969 -27.346 0.00 0.00 WAT1 ATOM 4523 H1 TIP3 889 -1.722 -9.440 -28.000 0.00 0.00 WAT1 ATOM 4524 H2 TIP3 889 -1.102 -9.366 -26.621 0.00 0.00 WAT1 ATOM 4525 OH2 TIP3 890 1.062 -11.091 -26.401 0.00 0.00 WAT1 ATOM 4526 H1 TIP3 890 0.158 -10.926 -26.667 0.00 0.00 WAT1 ATOM 4527 H2 TIP3 890 1.491 -10.238 -26.467 0.00 0.00 WAT1 ATOM 4528 OH2 TIP3 891 3.667 -9.521 -26.106 0.00 0.00 WAT1 ATOM 4529 H1 TIP3 891 3.485 -8.605 -26.317 0.00 0.00 WAT1 ATOM 4530 H2 TIP3 891 3.843 -9.931 -26.953 0.00 0.00 WAT1 ATOM 4531 OH2 TIP3 892 -9.028 -10.834 -28.641 0.00 0.00 WAT1 ATOM 4532 H1 TIP3 892 -9.047 -11.259 -27.784 0.00 0.00 WAT1 ATOM 4533 H2 TIP3 892 -8.223 -11.152 -29.050 0.00 0.00 WAT1 ATOM 4534 OH2 TIP3 893 -6.887 -12.124 -29.986 0.00 0.00 WAT1 ATOM 4535 H1 TIP3 893 -7.106 -13.040 -29.817 0.00 0.00 WAT1 ATOM 4536 H2 TIP3 893 -6.063 -11.984 -29.520 0.00 0.00 WAT1 ATOM 4537 OH2 TIP3 894 -4.350 -11.654 -29.138 0.00 0.00 WAT1 ATOM 4538 H1 TIP3 894 -4.137 -12.542 -29.425 0.00 0.00 WAT1 ATOM 4539 H2 TIP3 894 -4.285 -11.688 -28.183 0.00 0.00 WAT1 ATOM 4540 OH2 TIP3 895 5.014 -12.086 -22.243 0.00 0.00 WAT1 ATOM 4541 H1 TIP3 895 4.232 -12.272 -22.763 0.00 0.00 WAT1 ATOM 4542 H2 TIP3 895 4.942 -11.157 -22.026 0.00 0.00 WAT1 ATOM 4543 OH2 TIP3 896 -8.135 -19.330 -8.345 0.00 0.00 WAT1 ATOM 4544 H1 TIP3 896 -8.093 -19.956 -7.621 0.00 0.00 WAT1 ATOM 4545 H2 TIP3 896 -7.432 -18.707 -8.163 0.00 0.00 WAT1 ATOM 4546 OH2 TIP3 897 -7.211 -14.880 -9.810 0.00 0.00 WAT1 ATOM 4547 H1 TIP3 897 -7.581 -15.682 -10.179 0.00 0.00 WAT1 ATOM 4548 H2 TIP3 897 -6.270 -15.049 -9.763 0.00 0.00 WAT1 ATOM 4549 OH2 TIP3 898 -9.891 -19.058 -12.291 0.00 0.00 WAT1 ATOM 4550 H1 TIP3 898 -9.677 -19.828 -11.764 0.00 0.00 WAT1 ATOM 4551 H2 TIP3 898 -9.153 -18.969 -12.894 0.00 0.00 WAT1 ATOM 4552 OH2 TIP3 899 0.314 -10.901 -11.424 0.00 0.00 WAT1 ATOM 4553 H1 TIP3 899 0.934 -11.578 -11.697 0.00 0.00 WAT1 ATOM 4554 H2 TIP3 899 0.106 -11.119 -10.516 0.00 0.00 WAT1 ATOM 4555 OH2 TIP3 900 -2.114 -16.512 -9.532 0.00 0.00 WAT1 ATOM 4556 H1 TIP3 900 -1.810 -17.198 -10.126 0.00 0.00 WAT1 ATOM 4557 H2 TIP3 900 -1.392 -16.394 -8.914 0.00 0.00 WAT1 ATOM 4558 OH2 TIP3 901 0.361 -15.599 -14.314 0.00 0.00 WAT1 ATOM 4559 H1 TIP3 901 0.065 -15.921 -15.165 0.00 0.00 WAT1 ATOM 4560 H2 TIP3 901 0.037 -14.699 -14.272 0.00 0.00 WAT1 ATOM 4561 OH2 TIP3 902 -6.031 -15.459 -6.783 0.00 0.00 WAT1 ATOM 4562 H1 TIP3 902 -6.037 -14.580 -7.161 0.00 0.00 WAT1 ATOM 4563 H2 TIP3 902 -6.885 -15.542 -6.358 0.00 0.00 WAT1 ATOM 4564 OH2 TIP3 903 -9.910 -15.788 -16.001 0.00 0.00 WAT1 ATOM 4565 H1 TIP3 903 -10.182 -15.559 -16.890 0.00 0.00 WAT1 ATOM 4566 H2 TIP3 903 -9.865 -14.950 -15.541 0.00 0.00 WAT1 ATOM 4567 OH2 TIP3 904 3.715 -14.166 -9.288 0.00 0.00 WAT1 ATOM 4568 H1 TIP3 904 2.773 -14.108 -9.127 0.00 0.00 WAT1 ATOM 4569 H2 TIP3 904 3.991 -13.260 -9.425 0.00 0.00 WAT1 ATOM 4570 OH2 TIP3 905 1.967 -12.385 -12.663 0.00 0.00 WAT1 ATOM 4571 H1 TIP3 905 2.392 -13.092 -13.148 0.00 0.00 WAT1 ATOM 4572 H2 TIP3 905 2.284 -11.584 -13.080 0.00 0.00 WAT1 ATOM 4573 OH2 TIP3 906 -0.715 -18.956 -15.905 0.00 0.00 WAT1 ATOM 4574 H1 TIP3 906 -1.427 -18.421 -16.256 0.00 0.00 WAT1 ATOM 4575 H2 TIP3 906 -0.024 -18.900 -16.565 0.00 0.00 WAT1 ATOM 4576 OH2 TIP3 907 -0.661 -20.498 -18.866 0.00 0.00 WAT1 ATOM 4577 H1 TIP3 907 0.040 -20.476 -18.215 0.00 0.00 WAT1 ATOM 4578 H2 TIP3 907 -0.359 -21.126 -19.522 0.00 0.00 WAT1 ATOM 4579 OH2 TIP3 908 -4.297 -14.688 -10.389 0.00 0.00 WAT1 ATOM 4580 H1 TIP3 908 -4.392 -15.266 -11.146 0.00 0.00 WAT1 ATOM 4581 H2 TIP3 908 -3.568 -15.059 -9.893 0.00 0.00 WAT1 ATOM 4582 OH2 TIP3 909 1.012 -13.844 -8.703 0.00 0.00 WAT1 ATOM 4583 H1 TIP3 909 0.771 -13.182 -8.055 0.00 0.00 WAT1 ATOM 4584 H2 TIP3 909 0.814 -14.678 -8.278 0.00 0.00 WAT1 ATOM 4585 OH2 TIP3 910 -4.417 -14.948 -4.720 0.00 0.00 WAT1 ATOM 4586 H1 TIP3 910 -4.729 -14.166 -4.264 0.00 0.00 WAT1 ATOM 4587 H2 TIP3 910 -5.067 -15.101 -5.406 0.00 0.00 WAT1 ATOM 4588 OH2 TIP3 911 -7.497 -18.750 -5.491 0.00 0.00 WAT1 ATOM 4589 H1 TIP3 911 -7.427 -18.099 -4.793 0.00 0.00 WAT1 ATOM 4590 H2 TIP3 911 -8.388 -18.647 -5.826 0.00 0.00 WAT1 ATOM 4591 OH2 TIP3 912 -0.712 -12.847 -13.833 0.00 0.00 WAT1 ATOM 4592 H1 TIP3 912 -0.238 -12.552 -13.055 0.00 0.00 WAT1 ATOM 4593 H2 TIP3 912 -1.275 -12.109 -14.066 0.00 0.00 WAT1 ATOM 4594 OH2 TIP3 913 -6.674 -19.046 -15.481 0.00 0.00 WAT1 ATOM 4595 H1 TIP3 913 -6.966 -18.278 -15.972 0.00 0.00 WAT1 ATOM 4596 H2 TIP3 913 -7.348 -19.706 -15.644 0.00 0.00 WAT1 ATOM 4597 OH2 TIP3 914 -10.581 -16.683 -6.666 0.00 0.00 WAT1 ATOM 4598 H1 TIP3 914 -11.082 -16.711 -7.481 0.00 0.00 WAT1 ATOM 4599 H2 TIP3 914 -10.575 -17.589 -6.356 0.00 0.00 WAT1 ATOM 4600 OH2 TIP3 915 -1.654 -13.663 -5.224 0.00 0.00 WAT1 ATOM 4601 H1 TIP3 915 -1.567 -12.837 -4.749 0.00 0.00 WAT1 ATOM 4602 H2 TIP3 915 -2.518 -13.993 -4.975 0.00 0.00 WAT1 ATOM 4603 OH2 TIP3 916 1.862 -10.737 -18.415 0.00 0.00 WAT1 ATOM 4604 H1 TIP3 916 2.237 -11.481 -18.886 0.00 0.00 WAT1 ATOM 4605 H2 TIP3 916 1.866 -11.007 -17.497 0.00 0.00 WAT1 ATOM 4606 OH2 TIP3 917 1.531 -10.811 -15.666 0.00 0.00 WAT1 ATOM 4607 H1 TIP3 917 0.596 -10.711 -15.487 0.00 0.00 WAT1 ATOM 4608 H2 TIP3 917 1.811 -11.520 -15.088 0.00 0.00 WAT1 ATOM 4609 OH2 TIP3 918 -8.332 -15.360 -5.623 0.00 0.00 WAT1 ATOM 4610 H1 TIP3 918 -8.115 -15.721 -4.763 0.00 0.00 WAT1 ATOM 4611 H2 TIP3 918 -9.187 -15.734 -5.833 0.00 0.00 WAT1 ATOM 4612 OH2 TIP3 919 3.039 -18.551 -19.638 0.00 0.00 WAT1 ATOM 4613 H1 TIP3 919 3.081 -18.774 -20.568 0.00 0.00 WAT1 ATOM 4614 H2 TIP3 919 3.888 -18.153 -19.448 0.00 0.00 WAT1 ATOM 4615 OH2 TIP3 920 -5.888 -21.452 -18.484 0.00 0.00 WAT1 ATOM 4616 H1 TIP3 920 -6.430 -21.832 -19.175 0.00 0.00 WAT1 ATOM 4617 H2 TIP3 920 -5.054 -21.258 -18.913 0.00 0.00 WAT1 ATOM 4618 OH2 TIP3 921 4.649 -9.369 -2.993 0.00 0.00 WAT1 ATOM 4619 H1 TIP3 921 4.849 -8.945 -3.828 0.00 0.00 WAT1 ATOM 4620 H2 TIP3 921 5.305 -9.026 -2.386 0.00 0.00 WAT1 ATOM 4621 OH2 TIP3 922 -7.753 -16.895 -3.385 0.00 0.00 WAT1 ATOM 4622 H1 TIP3 922 -7.020 -16.641 -2.824 0.00 0.00 WAT1 ATOM 4623 H2 TIP3 922 -8.533 -16.691 -2.870 0.00 0.00 WAT1 ATOM 4624 OH2 TIP3 923 -2.553 -16.887 -16.548 0.00 0.00 WAT1 ATOM 4625 H1 TIP3 923 -3.297 -17.394 -16.871 0.00 0.00 WAT1 ATOM 4626 H2 TIP3 923 -2.687 -16.838 -15.602 0.00 0.00 WAT1 ATOM 4627 OH2 TIP3 924 -1.033 -16.703 -5.311 0.00 0.00 WAT1 ATOM 4628 H1 TIP3 924 -1.379 -17.084 -4.505 0.00 0.00 WAT1 ATOM 4629 H2 TIP3 924 -1.233 -15.769 -5.240 0.00 0.00 WAT1 ATOM 4630 OH2 TIP3 925 -7.428 -17.592 -10.779 0.00 0.00 WAT1 ATOM 4631 H1 TIP3 925 -6.683 -17.594 -11.380 0.00 0.00 WAT1 ATOM 4632 H2 TIP3 925 -7.350 -18.416 -10.297 0.00 0.00 WAT1 ATOM 4633 OH2 TIP3 926 -0.427 -15.428 -17.523 0.00 0.00 WAT1 ATOM 4634 H1 TIP3 926 -0.722 -14.602 -17.141 0.00 0.00 WAT1 ATOM 4635 H2 TIP3 926 -1.130 -16.048 -17.327 0.00 0.00 WAT1 ATOM 4636 OH2 TIP3 927 -10.420 -19.131 -5.464 0.00 0.00 WAT1 ATOM 4637 H1 TIP3 927 -10.197 -19.549 -4.632 0.00 0.00 WAT1 ATOM 4638 H2 TIP3 927 -11.022 -19.744 -5.886 0.00 0.00 WAT1 ATOM 4639 OH2 TIP3 928 1.217 -14.241 -5.361 0.00 0.00 WAT1 ATOM 4640 H1 TIP3 928 0.316 -14.058 -5.629 0.00 0.00 WAT1 ATOM 4641 H2 TIP3 928 1.251 -13.982 -4.440 0.00 0.00 WAT1 ATOM 4642 OH2 TIP3 929 -5.053 -14.074 -13.374 0.00 0.00 WAT1 ATOM 4643 H1 TIP3 929 -4.526 -13.301 -13.575 0.00 0.00 WAT1 ATOM 4644 H2 TIP3 929 -5.933 -13.849 -13.676 0.00 0.00 WAT1 ATOM 4645 OH2 TIP3 930 -9.298 -19.212 -18.787 0.00 0.00 WAT1 ATOM 4646 H1 TIP3 930 -8.682 -18.585 -18.408 0.00 0.00 WAT1 ATOM 4647 H2 TIP3 930 -10.160 -18.896 -18.516 0.00 0.00 WAT1 ATOM 4648 OH2 TIP3 931 -3.626 -16.411 -13.798 0.00 0.00 WAT1 ATOM 4649 H1 TIP3 931 -3.867 -15.486 -13.756 0.00 0.00 WAT1 ATOM 4650 H2 TIP3 931 -4.366 -16.870 -13.402 0.00 0.00 WAT1 ATOM 4651 OH2 TIP3 932 0.433 -16.163 -7.782 0.00 0.00 WAT1 ATOM 4652 H1 TIP3 932 0.007 -16.390 -6.956 0.00 0.00 WAT1 ATOM 4653 H2 TIP3 932 1.014 -16.901 -7.965 0.00 0.00 WAT1 ATOM 4654 OH2 TIP3 933 2.636 -15.234 -18.708 0.00 0.00 WAT1 ATOM 4655 H1 TIP3 933 2.989 -15.614 -17.904 0.00 0.00 WAT1 ATOM 4656 H2 TIP3 933 1.687 -15.327 -18.622 0.00 0.00 WAT1 ATOM 4657 OH2 TIP3 934 3.092 -11.611 -5.313 0.00 0.00 WAT1 ATOM 4658 H1 TIP3 934 2.490 -12.166 -5.808 0.00 0.00 WAT1 ATOM 4659 H2 TIP3 934 3.373 -10.944 -5.939 0.00 0.00 WAT1 ATOM 4660 OH2 TIP3 935 -7.883 -17.299 -17.295 0.00 0.00 WAT1 ATOM 4661 H1 TIP3 935 -8.569 -16.947 -16.728 0.00 0.00 WAT1 ATOM 4662 H2 TIP3 935 -7.360 -16.536 -17.541 0.00 0.00 WAT1 ATOM 4663 OH2 TIP3 936 -1.598 -12.854 -17.056 0.00 0.00 WAT1 ATOM 4664 H1 TIP3 936 -2.415 -12.357 -17.003 0.00 0.00 WAT1 ATOM 4665 H2 TIP3 936 -1.069 -12.379 -17.696 0.00 0.00 WAT1 ATOM 4666 OH2 TIP3 937 4.362 -11.357 -9.346 0.00 0.00 WAT1 ATOM 4667 H1 TIP3 937 4.206 -10.679 -10.003 0.00 0.00 WAT1 ATOM 4668 H2 TIP3 937 5.294 -11.285 -9.143 0.00 0.00 WAT1 ATOM 4669 OH2 TIP3 938 1.250 -13.387 -2.769 0.00 0.00 WAT1 ATOM 4670 H1 TIP3 938 0.899 -14.243 -2.526 0.00 0.00 WAT1 ATOM 4671 H2 TIP3 938 1.976 -13.244 -2.162 0.00 0.00 WAT1 ATOM 4672 OH2 TIP3 939 3.369 -12.442 -19.889 0.00 0.00 WAT1 ATOM 4673 H1 TIP3 939 3.652 -13.236 -19.436 0.00 0.00 WAT1 ATOM 4674 H2 TIP3 939 4.109 -12.209 -20.450 0.00 0.00 WAT1 ATOM 4675 OH2 TIP3 940 -10.017 -16.876 -2.164 0.00 0.00 WAT1 ATOM 4676 H1 TIP3 940 -9.873 -17.778 -2.450 0.00 0.00 WAT1 ATOM 4677 H2 TIP3 940 -10.790 -16.590 -2.652 0.00 0.00 WAT1 ATOM 4678 OH2 TIP3 941 -3.362 -16.906 -2.731 0.00 0.00 WAT1 ATOM 4679 H1 TIP3 941 -3.690 -16.635 -3.589 0.00 0.00 WAT1 ATOM 4680 H2 TIP3 941 -3.210 -17.847 -2.819 0.00 0.00 WAT1 ATOM 4681 OH2 TIP3 942 -9.185 -19.676 -2.744 0.00 0.00 WAT1 ATOM 4682 H1 TIP3 942 -8.777 -20.533 -2.865 0.00 0.00 WAT1 ATOM 4683 H2 TIP3 942 -9.445 -19.661 -1.823 0.00 0.00 WAT1 ATOM 4684 OH2 TIP3 943 -4.527 -18.560 -17.726 0.00 0.00 WAT1 ATOM 4685 H1 TIP3 943 -4.986 -19.044 -17.040 0.00 0.00 WAT1 ATOM 4686 H2 TIP3 943 -4.272 -19.228 -18.362 0.00 0.00 WAT1 ATOM 4687 OH2 TIP3 944 -3.456 -20.317 -19.463 0.00 0.00 WAT1 ATOM 4688 H1 TIP3 944 -3.636 -20.471 -20.391 0.00 0.00 WAT1 ATOM 4689 H2 TIP3 944 -2.505 -20.209 -19.419 0.00 0.00 WAT1 ATOM 4690 OH2 TIP3 945 -9.990 -14.990 -18.979 0.00 0.00 WAT1 ATOM 4691 H1 TIP3 945 -9.076 -14.911 -18.706 0.00 0.00 WAT1 ATOM 4692 H2 TIP3 945 -9.983 -15.677 -19.646 0.00 0.00 WAT1 ATOM 4693 OH2 TIP3 946 6.641 -11.140 -6.195 0.00 0.00 WAT1 ATOM 4694 H1 TIP3 946 6.154 -11.875 -6.566 0.00 0.00 WAT1 ATOM 4695 H2 TIP3 946 7.190 -11.533 -5.517 0.00 0.00 WAT1 ATOM 4696 OH2 TIP3 947 5.033 -13.377 -6.964 0.00 0.00 WAT1 ATOM 4697 H1 TIP3 947 4.385 -13.052 -6.339 0.00 0.00 WAT1 ATOM 4698 H2 TIP3 947 4.515 -13.817 -7.639 0.00 0.00 WAT1 ATOM 4699 OH2 TIP3 948 -10.391 -18.441 -9.646 0.00 0.00 WAT1 ATOM 4700 H1 TIP3 948 -10.207 -18.523 -10.581 0.00 0.00 WAT1 ATOM 4701 H2 TIP3 948 -9.542 -18.565 -9.222 0.00 0.00 WAT1 ATOM 4702 OH2 TIP3 949 3.816 -10.617 -13.545 0.00 0.00 WAT1 ATOM 4703 H1 TIP3 949 4.469 -10.964 -14.153 0.00 0.00 WAT1 ATOM 4704 H2 TIP3 949 4.327 -10.128 -12.899 0.00 0.00 WAT1 ATOM 4705 OH2 TIP3 950 -1.534 -11.314 -3.784 0.00 0.00 WAT1 ATOM 4706 H1 TIP3 950 -1.349 -11.648 -2.906 0.00 0.00 WAT1 ATOM 4707 H2 TIP3 950 -0.687 -11.005 -4.106 0.00 0.00 WAT1 ATOM 4708 OH2 TIP3 951 3.667 -9.521 -7.250 0.00 0.00 WAT1 ATOM 4709 H1 TIP3 951 3.485 -8.605 -7.461 0.00 0.00 WAT1 ATOM 4710 H2 TIP3 951 3.843 -9.931 -8.097 0.00 0.00 WAT1 ATOM 4711 OH2 TIP3 952 5.014 -12.086 -3.387 0.00 0.00 WAT1 ATOM 4712 H1 TIP3 952 4.232 -12.272 -3.907 0.00 0.00 WAT1 ATOM 4713 H2 TIP3 952 4.942 -11.157 -3.170 0.00 0.00 WAT1 ATOM 4714 OH2 TIP3 953 0.564 -18.200 5.499 0.00 0.00 WAT1 ATOM 4715 H1 TIP3 953 0.653 -17.256 5.367 0.00 0.00 WAT1 ATOM 4716 H2 TIP3 953 -0.075 -18.475 4.841 0.00 0.00 WAT1 ATOM 4717 OH2 TIP3 954 -0.503 -18.945 8.918 0.00 0.00 WAT1 ATOM 4718 H1 TIP3 954 -0.541 -19.591 9.623 0.00 0.00 WAT1 ATOM 4719 H2 TIP3 954 -0.826 -19.411 8.147 0.00 0.00 WAT1 ATOM 4720 OH2 TIP3 955 -9.891 -19.058 6.565 0.00 0.00 WAT1 ATOM 4721 H1 TIP3 955 -9.677 -19.828 7.092 0.00 0.00 WAT1 ATOM 4722 H2 TIP3 955 -9.153 -18.969 5.962 0.00 0.00 WAT1 ATOM 4723 OH2 TIP3 956 0.314 -10.901 7.432 0.00 0.00 WAT1 ATOM 4724 H1 TIP3 956 0.934 -11.578 7.159 0.00 0.00 WAT1 ATOM 4725 H2 TIP3 956 0.106 -11.119 8.340 0.00 0.00 WAT1 ATOM 4726 OH2 TIP3 957 -5.818 -24.017 6.924 0.00 0.00 WAT1 ATOM 4727 H1 TIP3 957 -5.775 -23.157 6.506 0.00 0.00 WAT1 ATOM 4728 H2 TIP3 957 -6.276 -24.569 6.291 0.00 0.00 WAT1 ATOM 4729 OH2 TIP3 958 -9.198 -21.620 7.686 0.00 0.00 WAT1 ATOM 4730 H1 TIP3 958 -8.544 -22.170 8.118 0.00 0.00 WAT1 ATOM 4731 H2 TIP3 958 -9.174 -21.894 6.770 0.00 0.00 WAT1 ATOM 4732 OH2 TIP3 959 -4.042 -20.070 6.902 0.00 0.00 WAT1 ATOM 4733 H1 TIP3 959 -3.426 -20.596 7.411 0.00 0.00 WAT1 ATOM 4734 H2 TIP3 959 -4.628 -20.710 6.498 0.00 0.00 WAT1 ATOM 4735 OH2 TIP3 960 0.361 -15.599 4.542 0.00 0.00 WAT1 ATOM 4736 H1 TIP3 960 0.065 -15.921 3.691 0.00 0.00 WAT1 ATOM 4737 H2 TIP3 960 0.037 -14.699 4.584 0.00 0.00 WAT1 ATOM 4738 OH2 TIP3 961 -7.414 -23.207 8.951 0.00 0.00 WAT1 ATOM 4739 H1 TIP3 961 -6.801 -22.574 9.324 0.00 0.00 WAT1 ATOM 4740 H2 TIP3 961 -6.902 -23.679 8.294 0.00 0.00 WAT1 ATOM 4741 OH2 TIP3 962 -9.910 -15.788 2.855 0.00 0.00 WAT1 ATOM 4742 H1 TIP3 962 -10.182 -15.559 1.966 0.00 0.00 WAT1 ATOM 4743 H2 TIP3 962 -9.865 -14.950 3.315 0.00 0.00 WAT1 ATOM 4744 OH2 TIP3 963 1.967 -12.385 6.193 0.00 0.00 WAT1 ATOM 4745 H1 TIP3 963 2.392 -13.092 5.708 0.00 0.00 WAT1 ATOM 4746 H2 TIP3 963 2.284 -11.584 5.776 0.00 0.00 WAT1 ATOM 4747 OH2 TIP3 964 -0.715 -18.956 2.951 0.00 0.00 WAT1 ATOM 4748 H1 TIP3 964 -1.427 -18.421 2.600 0.00 0.00 WAT1 ATOM 4749 H2 TIP3 964 -0.024 -18.900 2.291 0.00 0.00 WAT1 ATOM 4750 OH2 TIP3 965 1.012 -13.844 10.153 0.00 0.00 WAT1 ATOM 4751 H1 TIP3 965 0.771 -13.182 10.801 0.00 0.00 WAT1 ATOM 4752 H2 TIP3 965 0.814 -14.678 10.578 0.00 0.00 WAT1 ATOM 4753 OH2 TIP3 966 -4.417 -14.948 14.136 0.00 0.00 WAT1 ATOM 4754 H1 TIP3 966 -4.729 -14.166 14.592 0.00 0.00 WAT1 ATOM 4755 H2 TIP3 966 -5.067 -15.101 13.450 0.00 0.00 WAT1 ATOM 4756 OH2 TIP3 967 -0.712 -12.847 5.023 0.00 0.00 WAT1 ATOM 4757 H1 TIP3 967 -0.238 -12.552 5.801 0.00 0.00 WAT1 ATOM 4758 H2 TIP3 967 -1.275 -12.109 4.790 0.00 0.00 WAT1 ATOM 4759 OH2 TIP3 968 -6.178 -12.876 14.900 0.00 0.00 WAT1 ATOM 4760 H1 TIP3 968 -6.170 -13.012 13.952 0.00 0.00 WAT1 ATOM 4761 H2 TIP3 968 -7.094 -12.994 15.152 0.00 0.00 WAT1 ATOM 4762 OH2 TIP3 969 -6.674 -19.046 3.375 0.00 0.00 WAT1 ATOM 4763 H1 TIP3 969 -6.966 -18.278 2.884 0.00 0.00 WAT1 ATOM 4764 H2 TIP3 969 -7.348 -19.706 3.212 0.00 0.00 WAT1 ATOM 4765 OH2 TIP3 970 -10.581 -16.683 12.190 0.00 0.00 WAT1 ATOM 4766 H1 TIP3 970 -11.082 -16.711 11.375 0.00 0.00 WAT1 ATOM 4767 H2 TIP3 970 -10.575 -17.589 12.500 0.00 0.00 WAT1 ATOM 4768 OH2 TIP3 971 -1.654 -13.663 13.632 0.00 0.00 WAT1 ATOM 4769 H1 TIP3 971 -1.567 -12.837 14.107 0.00 0.00 WAT1 ATOM 4770 H2 TIP3 971 -2.518 -13.993 13.881 0.00 0.00 WAT1 ATOM 4771 OH2 TIP3 972 -1.240 -9.891 3.438 0.00 0.00 WAT1 ATOM 4772 H1 TIP3 972 -1.315 -10.012 2.492 0.00 0.00 WAT1 ATOM 4773 H2 TIP3 972 -1.207 -8.941 3.557 0.00 0.00 WAT1 ATOM 4774 OH2 TIP3 973 1.862 -10.737 0.441 0.00 0.00 WAT1 ATOM 4775 H1 TIP3 973 2.237 -11.481 -0.030 0.00 0.00 WAT1 ATOM 4776 H2 TIP3 973 1.866 -11.007 1.359 0.00 0.00 WAT1 ATOM 4777 OH2 TIP3 974 1.531 -10.811 3.190 0.00 0.00 WAT1 ATOM 4778 H1 TIP3 974 0.596 -10.711 3.369 0.00 0.00 WAT1 ATOM 4779 H2 TIP3 974 1.811 -11.520 3.768 0.00 0.00 WAT1 ATOM 4780 OH2 TIP3 975 -5.622 -21.924 10.324 0.00 0.00 WAT1 ATOM 4781 H1 TIP3 975 -6.264 -21.965 11.033 0.00 0.00 WAT1 ATOM 4782 H2 TIP3 975 -5.585 -20.998 10.086 0.00 0.00 WAT1 ATOM 4783 OH2 TIP3 976 -5.625 -21.703 5.236 0.00 0.00 WAT1 ATOM 4784 H1 TIP3 976 -6.518 -22.044 5.177 0.00 0.00 WAT1 ATOM 4785 H2 TIP3 976 -5.174 -22.080 4.480 0.00 0.00 WAT1 ATOM 4786 OH2 TIP3 977 -7.872 -21.604 12.191 0.00 0.00 WAT1 ATOM 4787 H1 TIP3 977 -7.910 -21.204 13.059 0.00 0.00 WAT1 ATOM 4788 H2 TIP3 977 -8.363 -22.421 12.281 0.00 0.00 WAT1 ATOM 4789 OH2 TIP3 978 0.179 -20.203 11.538 0.00 0.00 WAT1 ATOM 4790 H1 TIP3 978 0.503 -20.834 10.895 0.00 0.00 WAT1 ATOM 4791 H2 TIP3 978 -0.261 -20.738 12.199 0.00 0.00 WAT1 ATOM 4792 OH2 TIP3 979 -8.215 -22.647 5.149 0.00 0.00 WAT1 ATOM 4793 H1 TIP3 979 -9.104 -22.547 4.809 0.00 0.00 WAT1 ATOM 4794 H2 TIP3 979 -7.919 -23.489 4.803 0.00 0.00 WAT1 ATOM 4795 OH2 TIP3 980 -7.753 -16.895 15.471 0.00 0.00 WAT1 ATOM 4796 H1 TIP3 980 -7.020 -16.641 16.032 0.00 0.00 WAT1 ATOM 4797 H2 TIP3 980 -8.533 -16.691 15.986 0.00 0.00 WAT1 ATOM 4798 OH2 TIP3 981 -1.723 -21.488 8.209 0.00 0.00 WAT1 ATOM 4799 H1 TIP3 981 -1.159 -22.035 7.662 0.00 0.00 WAT1 ATOM 4800 H2 TIP3 981 -1.871 -22.010 8.998 0.00 0.00 WAT1 ATOM 4801 OH2 TIP3 982 -3.097 -23.100 10.623 0.00 0.00 WAT1 ATOM 4802 H1 TIP3 982 -3.932 -22.646 10.733 0.00 0.00 WAT1 ATOM 4803 H2 TIP3 982 -2.573 -22.824 11.375 0.00 0.00 WAT1 ATOM 4804 OH2 TIP3 983 -2.553 -16.887 2.308 0.00 0.00 WAT1 ATOM 4805 H1 TIP3 983 -3.297 -17.394 1.985 0.00 0.00 WAT1 ATOM 4806 H2 TIP3 983 -2.687 -16.838 3.254 0.00 0.00 WAT1 ATOM 4807 OH2 TIP3 984 -1.033 -16.703 13.545 0.00 0.00 WAT1 ATOM 4808 H1 TIP3 984 -1.379 -17.084 14.351 0.00 0.00 WAT1 ATOM 4809 H2 TIP3 984 -1.233 -15.769 13.616 0.00 0.00 WAT1 ATOM 4810 OH2 TIP3 985 -0.427 -15.428 1.333 0.00 0.00 WAT1 ATOM 4811 H1 TIP3 985 -0.722 -14.602 1.715 0.00 0.00 WAT1 ATOM 4812 H2 TIP3 985 -1.130 -16.048 1.529 0.00 0.00 WAT1 ATOM 4813 OH2 TIP3 986 -10.420 -19.131 13.392 0.00 0.00 WAT1 ATOM 4814 H1 TIP3 986 -10.197 -19.549 14.224 0.00 0.00 WAT1 ATOM 4815 H2 TIP3 986 -11.022 -19.744 12.970 0.00 0.00 WAT1 ATOM 4816 OH2 TIP3 987 -3.403 -19.614 15.605 0.00 0.00 WAT1 ATOM 4817 H1 TIP3 987 -3.699 -19.780 14.710 0.00 0.00 WAT1 ATOM 4818 H2 TIP3 987 -2.472 -19.834 15.595 0.00 0.00 WAT1 ATOM 4819 OH2 TIP3 988 2.404 -18.402 9.349 0.00 0.00 WAT1 ATOM 4820 H1 TIP3 988 1.476 -18.634 9.322 0.00 0.00 WAT1 ATOM 4821 H2 TIP3 988 2.855 -19.179 9.019 0.00 0.00 WAT1 ATOM 4822 OH2 TIP3 989 -9.298 -19.212 0.069 0.00 0.00 WAT1 ATOM 4823 H1 TIP3 989 -8.682 -18.585 0.448 0.00 0.00 WAT1 ATOM 4824 H2 TIP3 989 -10.160 -18.896 0.340 0.00 0.00 WAT1 ATOM 4825 OH2 TIP3 990 0.433 -16.163 11.074 0.00 0.00 WAT1 ATOM 4826 H1 TIP3 990 0.007 -16.390 11.900 0.00 0.00 WAT1 ATOM 4827 H2 TIP3 990 1.014 -16.901 10.891 0.00 0.00 WAT1 ATOM 4828 OH2 TIP3 991 -7.883 -17.299 1.561 0.00 0.00 WAT1 ATOM 4829 H1 TIP3 991 -8.569 -16.947 2.128 0.00 0.00 WAT1 ATOM 4830 H2 TIP3 991 -7.360 -16.536 1.315 0.00 0.00 WAT1 ATOM 4831 OH2 TIP3 992 -1.531 -22.271 12.957 0.00 0.00 WAT1 ATOM 4832 H1 TIP3 992 -1.412 -21.697 13.714 0.00 0.00 WAT1 ATOM 4833 H2 TIP3 992 -0.876 -22.959 13.072 0.00 0.00 WAT1 ATOM 4834 OH2 TIP3 993 -9.924 -10.686 15.738 0.00 0.00 WAT1 ATOM 4835 H1 TIP3 993 -9.384 -10.903 16.497 0.00 0.00 WAT1 ATOM 4836 H2 TIP3 993 -10.405 -11.492 15.548 0.00 0.00 WAT1 ATOM 4837 OH2 TIP3 994 -5.327 -11.767 17.358 0.00 0.00 WAT1 ATOM 4838 H1 TIP3 994 -4.559 -12.226 17.699 0.00 0.00 WAT1 ATOM 4839 H2 TIP3 994 -5.348 -11.993 16.428 0.00 0.00 WAT1 ATOM 4840 OH2 TIP3 995 -1.235 -12.259 -1.267 0.00 0.00 WAT1 ATOM 4841 H1 TIP3 995 -1.879 -12.890 -0.945 0.00 0.00 WAT1 ATOM 4842 H2 TIP3 995 -0.473 -12.790 -1.499 0.00 0.00 WAT1 ATOM 4843 OH2 TIP3 996 -10.017 -16.876 16.692 0.00 0.00 WAT1 ATOM 4844 H1 TIP3 996 -9.873 -17.778 16.406 0.00 0.00 WAT1 ATOM 4845 H2 TIP3 996 -10.790 -16.590 16.204 0.00 0.00 WAT1 ATOM 4846 OH2 TIP3 997 -5.676 -16.532 -1.176 0.00 0.00 WAT1 ATOM 4847 H1 TIP3 997 -5.612 -17.326 -0.645 0.00 0.00 WAT1 ATOM 4848 H2 TIP3 997 -5.023 -16.651 -1.865 0.00 0.00 WAT1 ATOM 4849 OH2 TIP3 998 -3.362 -16.906 16.125 0.00 0.00 WAT1 ATOM 4850 H1 TIP3 998 -3.690 -16.635 15.267 0.00 0.00 WAT1 ATOM 4851 H2 TIP3 998 -3.210 -17.847 16.037 0.00 0.00 WAT1 ATOM 4852 OH2 TIP3 999 -0.324 -15.485 -1.440 0.00 0.00 WAT1 ATOM 4853 H1 TIP3 999 -0.592 -15.305 -0.539 0.00 0.00 WAT1 ATOM 4854 H2 TIP3 999 -0.530 -16.411 -1.571 0.00 0.00 WAT1 ATOM 4855 OH2 TIP3 1000 -9.185 -19.676 16.112 0.00 0.00 WAT1 ATOM 4856 H1 TIP3 1000 -8.777 -20.533 15.991 0.00 0.00 WAT1 ATOM 4857 H2 TIP3 1000 -9.445 -19.661 17.033 0.00 0.00 WAT1 ATOM 4858 OH2 TIP3 1001 -4.527 -18.560 1.130 0.00 0.00 WAT1 ATOM 4859 H1 TIP3 1001 -4.986 -19.044 1.816 0.00 0.00 WAT1 ATOM 4860 H2 TIP3 1001 -4.272 -19.228 0.494 0.00 0.00 WAT1 ATOM 4861 OH2 TIP3 1002 -5.238 -20.667 13.486 0.00 0.00 WAT1 ATOM 4862 H1 TIP3 1002 -5.856 -19.992 13.767 0.00 0.00 WAT1 ATOM 4863 H2 TIP3 1002 -4.894 -20.346 12.653 0.00 0.00 WAT1 ATOM 4864 OH2 TIP3 1003 -2.904 -19.503 12.301 0.00 0.00 WAT1 ATOM 4865 H1 TIP3 1003 -2.153 -19.659 11.728 0.00 0.00 WAT1 ATOM 4866 H2 TIP3 1003 -3.243 -18.651 12.025 0.00 0.00 WAT1 ATOM 4867 OH2 TIP3 1004 -9.990 -14.990 -0.123 0.00 0.00 WAT1 ATOM 4868 H1 TIP3 1004 -9.076 -14.911 0.150 0.00 0.00 WAT1 ATOM 4869 H2 TIP3 1004 -9.983 -15.677 -0.790 0.00 0.00 WAT1 ATOM 4870 OH2 TIP3 1005 -10.391 -18.441 9.210 0.00 0.00 WAT1 ATOM 4871 H1 TIP3 1005 -10.207 -18.523 8.275 0.00 0.00 WAT1 ATOM 4872 H2 TIP3 1005 -9.542 -18.565 9.634 0.00 0.00 WAT1 ATOM 4873 OH2 TIP3 1006 -11.268 -21.859 9.311 0.00 0.00 WAT1 ATOM 4874 H1 TIP3 1006 -10.776 -22.080 8.521 0.00 0.00 WAT1 ATOM 4875 H2 TIP3 1006 -10.906 -21.018 9.592 0.00 0.00 WAT1 ATOM 4876 OH2 TIP3 1007 -8.799 -13.688 15.854 0.00 0.00 WAT1 ATOM 4877 H1 TIP3 1007 -9.620 -13.513 15.394 0.00 0.00 WAT1 ATOM 4878 H2 TIP3 1007 -9.051 -13.761 16.775 0.00 0.00 WAT1 ATOM 4879 OH2 TIP3 1008 -1.534 -11.314 15.072 0.00 0.00 WAT1 ATOM 4880 H1 TIP3 1008 -1.349 -11.648 15.950 0.00 0.00 WAT1 ATOM 4881 H2 TIP3 1008 -0.687 -11.005 14.750 0.00 0.00 WAT1 ATOM 4882 OH2 TIP3 1009 -8.443 -9.457 12.160 0.00 0.00 WAT1 ATOM 4883 H1 TIP3 1009 -9.163 -9.017 11.709 0.00 0.00 WAT1 ATOM 4884 H2 TIP3 1009 -8.809 -9.708 13.009 0.00 0.00 WAT1 ATOM 4885 OH2 TIP3 1010 -1.265 -9.969 10.366 0.00 0.00 WAT1 ATOM 4886 H1 TIP3 1010 -1.722 -9.440 9.712 0.00 0.00 WAT1 ATOM 4887 H2 TIP3 1010 -1.102 -9.366 11.091 0.00 0.00 WAT1 ATOM 4888 OH2 TIP3 1011 1.062 -11.091 11.311 0.00 0.00 WAT1 ATOM 4889 H1 TIP3 1011 0.158 -10.926 11.045 0.00 0.00 WAT1 ATOM 4890 H2 TIP3 1011 1.491 -10.238 11.245 0.00 0.00 WAT1 ATOM 4891 OH2 TIP3 1012 -0.913 -10.400 0.639 0.00 0.00 WAT1 ATOM 4892 H1 TIP3 1012 -0.047 -10.034 0.461 0.00 0.00 WAT1 ATOM 4893 H2 TIP3 1012 -1.160 -10.840 -0.174 0.00 0.00 WAT1 ATOM 4894 OH2 TIP3 1013 -5.676 -16.532 17.680 0.00 0.00 WAT1 ATOM 4895 H1 TIP3 1013 -5.612 -17.326 18.211 0.00 0.00 WAT1 ATOM 4896 H2 TIP3 1013 -5.023 -16.651 16.991 0.00 0.00 WAT1 ATOM 4897 OH2 TIP3 1014 -5.818 -5.161 -49.644 0.00 0.00 WAT1 ATOM 4898 H1 TIP3 1014 -5.775 -4.301 -50.062 0.00 0.00 WAT1 ATOM 4899 H2 TIP3 1014 -6.276 -5.713 -50.277 0.00 0.00 WAT1 ATOM 4900 OH2 TIP3 1015 -9.198 -2.764 -48.882 0.00 0.00 WAT1 ATOM 4901 H1 TIP3 1015 -8.544 -3.314 -48.450 0.00 0.00 WAT1 ATOM 4902 H2 TIP3 1015 -9.174 -3.038 -49.798 0.00 0.00 WAT1 ATOM 4903 OH2 TIP3 1016 -7.414 -4.351 -47.617 0.00 0.00 WAT1 ATOM 4904 H1 TIP3 1016 -6.801 -3.718 -47.244 0.00 0.00 WAT1 ATOM 4905 H2 TIP3 1016 -6.902 -4.823 -48.274 0.00 0.00 WAT1 ATOM 4906 OH2 TIP3 1017 -2.982 -8.937 -48.117 0.00 0.00 WAT1 ATOM 4907 H1 TIP3 1017 -3.099 -9.886 -48.171 0.00 0.00 WAT1 ATOM 4908 H2 TIP3 1017 -3.837 -8.605 -47.844 0.00 0.00 WAT1 ATOM 4909 OH2 TIP3 1018 -5.713 -8.034 -47.339 0.00 0.00 WAT1 ATOM 4910 H1 TIP3 1018 -6.574 -8.121 -47.747 0.00 0.00 WAT1 ATOM 4911 H2 TIP3 1018 -5.735 -7.178 -46.912 0.00 0.00 WAT1 ATOM 4912 OH2 TIP3 1019 -1.050 -8.312 -43.965 0.00 0.00 WAT1 ATOM 4913 H1 TIP3 1019 -0.630 -8.727 -43.212 0.00 0.00 WAT1 ATOM 4914 H2 TIP3 1019 -1.983 -8.490 -43.848 0.00 0.00 WAT1 ATOM 4915 OH2 TIP3 1020 -5.622 -3.068 -46.244 0.00 0.00 WAT1 ATOM 4916 H1 TIP3 1020 -6.264 -3.109 -45.535 0.00 0.00 WAT1 ATOM 4917 H2 TIP3 1020 -5.585 -2.142 -46.482 0.00 0.00 WAT1 ATOM 4918 OH2 TIP3 1021 -7.872 -2.748 -44.377 0.00 0.00 WAT1 ATOM 4919 H1 TIP3 1021 -7.910 -2.348 -43.509 0.00 0.00 WAT1 ATOM 4920 H2 TIP3 1021 -8.363 -3.565 -44.287 0.00 0.00 WAT1 ATOM 4921 OH2 TIP3 1022 -11.264 -5.632 -50.527 0.00 0.00 WAT1 ATOM 4922 H1 TIP3 1022 -10.633 -5.661 -49.807 0.00 0.00 WAT1 ATOM 4923 H2 TIP3 1022 -10.814 -6.057 -51.257 0.00 0.00 WAT1 ATOM 4924 OH2 TIP3 1023 -3.097 -4.244 -45.945 0.00 0.00 WAT1 ATOM 4925 H1 TIP3 1023 -3.932 -3.790 -45.835 0.00 0.00 WAT1 ATOM 4926 H2 TIP3 1023 -2.573 -3.968 -45.193 0.00 0.00 WAT1 ATOM 4927 OH2 TIP3 1024 -9.185 -0.820 -40.456 0.00 0.00 WAT1 ATOM 4928 H1 TIP3 1024 -8.777 -1.677 -40.577 0.00 0.00 WAT1 ATOM 4929 H2 TIP3 1024 -9.445 -0.805 -39.535 0.00 0.00 WAT1 ATOM 4930 OH2 TIP3 1025 -5.238 -1.811 -43.082 0.00 0.00 WAT1 ATOM 4931 H1 TIP3 1025 -5.856 -1.136 -42.801 0.00 0.00 WAT1 ATOM 4932 H2 TIP3 1025 -4.894 -1.490 -43.915 0.00 0.00 WAT1 ATOM 4933 OH2 TIP3 1026 -4.898 -4.456 -41.999 0.00 0.00 WAT1 ATOM 4934 H1 TIP3 1026 -4.748 -5.185 -42.602 0.00 0.00 WAT1 ATOM 4935 H2 TIP3 1026 -4.896 -3.679 -42.558 0.00 0.00 WAT1 ATOM 4936 OH2 TIP3 1027 -4.486 -6.086 -44.507 0.00 0.00 WAT1 ATOM 4937 H1 TIP3 1027 -3.950 -5.635 -45.159 0.00 0.00 WAT1 ATOM 4938 H2 TIP3 1027 -5.338 -6.194 -44.929 0.00 0.00 WAT1 ATOM 4939 OH2 TIP3 1028 -6.420 -3.258 -40.088 0.00 0.00 WAT1 ATOM 4940 H1 TIP3 1028 -7.187 -3.790 -40.298 0.00 0.00 WAT1 ATOM 4941 H2 TIP3 1028 -5.741 -3.568 -40.687 0.00 0.00 WAT1 ATOM 4942 OH2 TIP3 1029 -3.680 -8.630 -44.075 0.00 0.00 WAT1 ATOM 4943 H1 TIP3 1029 -3.778 -7.683 -44.181 0.00 0.00 WAT1 ATOM 4944 H2 TIP3 1029 -4.423 -9.002 -44.551 0.00 0.00 WAT1 ATOM 4945 OH2 TIP3 1030 -8.239 -5.337 -40.383 0.00 0.00 WAT1 ATOM 4946 H1 TIP3 1030 -8.028 -6.044 -40.994 0.00 0.00 WAT1 ATOM 4947 H2 TIP3 1030 -8.351 -5.775 -39.539 0.00 0.00 WAT1 ATOM 4948 OH2 TIP3 1031 -3.458 -9.336 -41.404 0.00 0.00 WAT1 ATOM 4949 H1 TIP3 1031 -2.746 -9.976 -41.418 0.00 0.00 WAT1 ATOM 4950 H2 TIP3 1031 -3.559 -9.069 -42.318 0.00 0.00 WAT1 ATOM 4951 OH2 TIP3 1032 -3.105 -7.653 -39.350 0.00 0.00 WAT1 ATOM 4952 H1 TIP3 1032 -3.236 -8.129 -40.171 0.00 0.00 WAT1 ATOM 4953 H2 TIP3 1032 -3.704 -6.909 -39.406 0.00 0.00 WAT1 ATOM 4954 OH2 TIP3 1033 -10.793 -4.314 -41.217 0.00 0.00 WAT1 ATOM 4955 H1 TIP3 1033 -9.874 -4.436 -40.981 0.00 0.00 WAT1 ATOM 4956 H2 TIP3 1033 -11.243 -5.064 -40.828 0.00 0.00 WAT1 ATOM 4957 OH2 TIP3 1034 -9.572 -6.002 -48.326 0.00 0.00 WAT1 ATOM 4958 H1 TIP3 1034 -9.127 -6.794 -48.024 0.00 0.00 WAT1 ATOM 4959 H2 TIP3 1034 -9.106 -5.286 -47.895 0.00 0.00 WAT1 ATOM 4960 OH2 TIP3 1035 -11.268 -3.003 -47.257 0.00 0.00 WAT1 ATOM 4961 H1 TIP3 1035 -10.776 -3.224 -48.047 0.00 0.00 WAT1 ATOM 4962 H2 TIP3 1035 -10.906 -2.162 -46.976 0.00 0.00 WAT1 ATOM 4963 OH2 TIP3 1036 -8.515 -8.500 -51.027 0.00 0.00 WAT1 ATOM 4964 H1 TIP3 1036 -9.292 -8.734 -51.535 0.00 0.00 WAT1 ATOM 4965 H2 TIP3 1036 -7.984 -9.297 -51.019 0.00 0.00 WAT1 ATOM 4966 OH2 TIP3 1037 -6.584 -8.635 -39.974 0.00 0.00 WAT1 ATOM 4967 H1 TIP3 1037 -5.685 -8.909 -40.159 0.00 0.00 WAT1 ATOM 4968 H2 TIP3 1037 -6.970 -9.378 -39.510 0.00 0.00 WAT1 ATOM 4969 OH2 TIP3 1038 -8.135 -0.474 -27.201 0.00 0.00 WAT1 ATOM 4970 H1 TIP3 1038 -8.093 -1.100 -26.477 0.00 0.00 WAT1 ATOM 4971 H2 TIP3 1038 -7.432 0.149 -27.019 0.00 0.00 WAT1 ATOM 4972 OH2 TIP3 1039 -10.601 -2.364 -33.273 0.00 0.00 WAT1 ATOM 4973 H1 TIP3 1039 -11.049 -1.518 -33.291 0.00 0.00 WAT1 ATOM 4974 H2 TIP3 1039 -11.162 -2.944 -33.788 0.00 0.00 WAT1 ATOM 4975 OH2 TIP3 1040 -9.891 -0.202 -31.147 0.00 0.00 WAT1 ATOM 4976 H1 TIP3 1040 -9.677 -0.972 -30.620 0.00 0.00 WAT1 ATOM 4977 H2 TIP3 1040 -9.153 -0.113 -31.750 0.00 0.00 WAT1 ATOM 4978 OH2 TIP3 1041 1.027 -3.262 -28.060 0.00 0.00 WAT1 ATOM 4979 H1 TIP3 1041 1.170 -4.209 -28.040 0.00 0.00 WAT1 ATOM 4980 H2 TIP3 1041 0.921 -3.055 -28.989 0.00 0.00 WAT1 ATOM 4981 OH2 TIP3 1042 -5.818 -5.161 -30.788 0.00 0.00 WAT1 ATOM 4982 H1 TIP3 1042 -5.775 -4.301 -31.206 0.00 0.00 WAT1 ATOM 4983 H2 TIP3 1042 -6.276 -5.713 -31.421 0.00 0.00 WAT1 ATOM 4984 OH2 TIP3 1043 -9.198 -2.764 -30.026 0.00 0.00 WAT1 ATOM 4985 H1 TIP3 1043 -8.544 -3.314 -29.594 0.00 0.00 WAT1 ATOM 4986 H2 TIP3 1043 -9.174 -3.038 -30.942 0.00 0.00 WAT1 ATOM 4987 OH2 TIP3 1044 -4.439 1.433 -26.426 0.00 0.00 WAT1 ATOM 4988 H1 TIP3 1044 -5.179 2.031 -26.323 0.00 0.00 WAT1 ATOM 4989 H2 TIP3 1044 -3.725 1.987 -26.742 0.00 0.00 WAT1 ATOM 4990 OH2 TIP3 1045 -7.414 -4.351 -28.761 0.00 0.00 WAT1 ATOM 4991 H1 TIP3 1045 -6.801 -3.718 -28.388 0.00 0.00 WAT1 ATOM 4992 H2 TIP3 1045 -6.902 -4.823 -29.418 0.00 0.00 WAT1 ATOM 4993 OH2 TIP3 1046 4.015 -7.024 -26.727 0.00 0.00 WAT1 ATOM 4994 H1 TIP3 1046 3.279 -6.413 -26.765 0.00 0.00 WAT1 ATOM 4995 H2 TIP3 1046 4.699 -6.609 -27.253 0.00 0.00 WAT1 ATOM 4996 OH2 TIP3 1047 -2.982 -8.937 -29.261 0.00 0.00 WAT1 ATOM 4997 H1 TIP3 1047 -3.099 -9.886 -29.315 0.00 0.00 WAT1 ATOM 4998 H2 TIP3 1047 -3.837 -8.605 -28.988 0.00 0.00 WAT1 ATOM 4999 OH2 TIP3 1048 2.588 -1.716 -24.741 0.00 0.00 WAT1 ATOM 5000 H1 TIP3 1048 2.668 -0.953 -24.169 0.00 0.00 WAT1 ATOM 5001 H2 TIP3 1048 1.987 -1.437 -25.432 0.00 0.00 WAT1 ATOM 5002 OH2 TIP3 1049 -5.297 -0.491 -28.293 0.00 0.00 WAT1 ATOM 5003 H1 TIP3 1049 -4.732 -0.370 -29.056 0.00 0.00 WAT1 ATOM 5004 H2 TIP3 1049 -4.978 0.146 -27.654 0.00 0.00 WAT1 ATOM 5005 OH2 TIP3 1050 -7.497 0.106 -24.347 0.00 0.00 WAT1 ATOM 5006 H1 TIP3 1050 -7.427 0.757 -23.649 0.00 0.00 WAT1 ATOM 5007 H2 TIP3 1050 -8.388 0.209 -24.682 0.00 0.00 WAT1 ATOM 5008 OH2 TIP3 1051 -6.178 5.980 -22.812 0.00 0.00 WAT1 ATOM 5009 H1 TIP3 1051 -6.170 5.844 -23.760 0.00 0.00 WAT1 ATOM 5010 H2 TIP3 1051 -7.094 5.862 -22.560 0.00 0.00 WAT1 ATOM 5011 OH2 TIP3 1052 -10.830 4.953 -28.638 0.00 0.00 WAT1 ATOM 5012 H1 TIP3 1052 -9.884 4.809 -28.657 0.00 0.00 WAT1 ATOM 5013 H2 TIP3 1052 -10.943 5.737 -28.101 0.00 0.00 WAT1 ATOM 5014 OH2 TIP3 1053 4.519 -2.888 -22.476 0.00 0.00 WAT1 ATOM 5015 H1 TIP3 1053 4.112 -2.407 -23.196 0.00 0.00 WAT1 ATOM 5016 H2 TIP3 1053 4.560 -3.793 -22.783 0.00 0.00 WAT1 ATOM 5017 OH2 TIP3 1054 -8.332 3.496 -24.479 0.00 0.00 WAT1 ATOM 5018 H1 TIP3 1054 -8.115 3.135 -23.619 0.00 0.00 WAT1 ATOM 5019 H2 TIP3 1054 -9.187 3.122 -24.689 0.00 0.00 WAT1 ATOM 5020 OH2 TIP3 1055 -5.713 -8.034 -28.483 0.00 0.00 WAT1 ATOM 5021 H1 TIP3 1055 -6.574 -8.121 -28.891 0.00 0.00 WAT1 ATOM 5022 H2 TIP3 1055 -5.735 -7.178 -28.056 0.00 0.00 WAT1 ATOM 5023 OH2 TIP3 1056 2.276 -4.556 -24.255 0.00 0.00 WAT1 ATOM 5024 H1 TIP3 1056 1.762 -4.682 -23.458 0.00 0.00 WAT1 ATOM 5025 H2 TIP3 1056 2.121 -3.644 -24.500 0.00 0.00 WAT1 ATOM 5026 OH2 TIP3 1057 -5.622 -3.068 -27.388 0.00 0.00 WAT1 ATOM 5027 H1 TIP3 1057 -6.264 -3.109 -26.679 0.00 0.00 WAT1 ATOM 5028 H2 TIP3 1057 -5.585 -2.142 -27.626 0.00 0.00 WAT1 ATOM 5029 OH2 TIP3 1058 -5.625 -2.847 -32.476 0.00 0.00 WAT1 ATOM 5030 H1 TIP3 1058 -6.518 -3.188 -32.535 0.00 0.00 WAT1 ATOM 5031 H2 TIP3 1058 -5.174 -3.224 -33.232 0.00 0.00 WAT1 ATOM 5032 OH2 TIP3 1059 -0.987 -2.256 -22.171 0.00 0.00 WAT1 ATOM 5033 H1 TIP3 1059 -1.550 -2.960 -21.851 0.00 0.00 WAT1 ATOM 5034 H2 TIP3 1059 -0.161 -2.376 -21.704 0.00 0.00 WAT1 ATOM 5035 OH2 TIP3 1060 -4.506 -5.374 -38.723 0.00 0.00 WAT1 ATOM 5036 H1 TIP3 1060 -4.937 -5.819 -37.993 0.00 0.00 WAT1 ATOM 5037 H2 TIP3 1060 -5.224 -5.002 -39.235 0.00 0.00 WAT1 ATOM 5038 OH2 TIP3 1061 0.179 -1.347 -26.174 0.00 0.00 WAT1 ATOM 5039 H1 TIP3 1061 0.503 -1.978 -26.817 0.00 0.00 WAT1 ATOM 5040 H2 TIP3 1061 -0.261 -1.882 -25.513 0.00 0.00 WAT1 ATOM 5041 OH2 TIP3 1062 -8.215 -3.791 -32.563 0.00 0.00 WAT1 ATOM 5042 H1 TIP3 1062 -9.104 -3.691 -32.903 0.00 0.00 WAT1 ATOM 5043 H2 TIP3 1062 -7.919 -4.633 -32.909 0.00 0.00 WAT1 ATOM 5044 OH2 TIP3 1063 -4.562 -3.791 -34.907 0.00 0.00 WAT1 ATOM 5045 H1 TIP3 1063 -3.630 -3.662 -34.729 0.00 0.00 WAT1 ATOM 5046 H2 TIP3 1063 -4.777 -3.121 -35.556 0.00 0.00 WAT1 ATOM 5047 OH2 TIP3 1064 1.362 -6.185 -28.126 0.00 0.00 WAT1 ATOM 5048 H1 TIP3 1064 0.685 -6.054 -27.462 0.00 0.00 WAT1 ATOM 5049 H2 TIP3 1064 0.876 -6.340 -28.936 0.00 0.00 WAT1 ATOM 5050 OH2 TIP3 1065 -5.888 -2.596 -37.340 0.00 0.00 WAT1 ATOM 5051 H1 TIP3 1065 -6.430 -2.976 -38.031 0.00 0.00 WAT1 ATOM 5052 H2 TIP3 1065 -5.054 -2.402 -37.769 0.00 0.00 WAT1 ATOM 5053 OH2 TIP3 1066 -7.753 1.961 -22.241 0.00 0.00 WAT1 ATOM 5054 H1 TIP3 1066 -7.020 2.215 -21.680 0.00 0.00 WAT1 ATOM 5055 H2 TIP3 1066 -8.533 2.165 -21.726 0.00 0.00 WAT1 ATOM 5056 OH2 TIP3 1067 -6.721 -6.496 -33.085 0.00 0.00 WAT1 ATOM 5057 H1 TIP3 1067 -7.038 -7.398 -33.120 0.00 0.00 WAT1 ATOM 5058 H2 TIP3 1067 -5.940 -6.494 -33.637 0.00 0.00 WAT1 ATOM 5059 OH2 TIP3 1068 -3.097 -4.244 -27.089 0.00 0.00 WAT1 ATOM 5060 H1 TIP3 1068 -3.932 -3.790 -26.979 0.00 0.00 WAT1 ATOM 5061 H2 TIP3 1068 -2.573 -3.968 -26.337 0.00 0.00 WAT1 ATOM 5062 OH2 TIP3 1069 -3.403 -0.758 -22.107 0.00 0.00 WAT1 ATOM 5063 H1 TIP3 1069 -3.699 -0.924 -23.002 0.00 0.00 WAT1 ATOM 5064 H2 TIP3 1069 -2.472 -0.978 -22.117 0.00 0.00 WAT1 ATOM 5065 OH2 TIP3 1070 -9.298 -0.356 -37.643 0.00 0.00 WAT1 ATOM 5066 H1 TIP3 1070 -8.682 0.271 -37.264 0.00 0.00 WAT1 ATOM 5067 H2 TIP3 1070 -10.160 -0.040 -37.372 0.00 0.00 WAT1 ATOM 5068 OH2 TIP3 1071 -9.135 6.283 -26.327 0.00 0.00 WAT1 ATOM 5069 H1 TIP3 1071 -8.918 5.351 -26.358 0.00 0.00 WAT1 ATOM 5070 H2 TIP3 1071 -8.888 6.557 -25.443 0.00 0.00 WAT1 ATOM 5071 OH2 TIP3 1072 -1.531 -3.415 -24.755 0.00 0.00 WAT1 ATOM 5072 H1 TIP3 1072 -1.412 -2.841 -23.998 0.00 0.00 WAT1 ATOM 5073 H2 TIP3 1072 -0.876 -4.103 -24.640 0.00 0.00 WAT1 ATOM 5074 OH2 TIP3 1073 -5.526 -6.257 -36.314 0.00 0.00 WAT1 ATOM 5075 H1 TIP3 1073 -5.609 -5.368 -35.968 0.00 0.00 WAT1 ATOM 5076 H2 TIP3 1073 -4.636 -6.522 -36.083 0.00 0.00 WAT1 ATOM 5077 OH2 TIP3 1074 4.673 -5.508 -23.920 0.00 0.00 WAT1 ATOM 5078 H1 TIP3 1074 3.757 -5.245 -24.008 0.00 0.00 WAT1 ATOM 5079 H2 TIP3 1074 5.009 -5.511 -24.817 0.00 0.00 WAT1 ATOM 5080 OH2 TIP3 1075 -8.951 -3.165 -38.138 0.00 0.00 WAT1 ATOM 5081 H1 TIP3 1075 -8.996 -2.226 -37.959 0.00 0.00 WAT1 ATOM 5082 H2 TIP3 1075 -9.839 -3.401 -38.408 0.00 0.00 WAT1 ATOM 5083 OH2 TIP3 1076 -8.143 -8.383 -29.465 0.00 0.00 WAT1 ATOM 5084 H1 TIP3 1076 -8.372 -8.324 -30.392 0.00 0.00 WAT1 ATOM 5085 H2 TIP3 1076 -8.586 -9.175 -29.158 0.00 0.00 WAT1 ATOM 5086 OH2 TIP3 1077 -5.327 7.089 -20.354 0.00 0.00 WAT1 ATOM 5087 H1 TIP3 1077 -4.559 6.630 -20.013 0.00 0.00 WAT1 ATOM 5088 H2 TIP3 1077 -5.348 6.863 -21.284 0.00 0.00 WAT1 ATOM 5089 OH2 TIP3 1078 -3.362 1.950 -21.587 0.00 0.00 WAT1 ATOM 5090 H1 TIP3 1078 -3.690 2.221 -22.445 0.00 0.00 WAT1 ATOM 5091 H2 TIP3 1078 -3.210 1.009 -21.675 0.00 0.00 WAT1 ATOM 5092 OH2 TIP3 1079 -5.238 -1.811 -24.226 0.00 0.00 WAT1 ATOM 5093 H1 TIP3 1079 -5.856 -1.136 -23.945 0.00 0.00 WAT1 ATOM 5094 H2 TIP3 1079 -4.894 -1.490 -25.059 0.00 0.00 WAT1 ATOM 5095 OH2 TIP3 1080 -0.218 0.660 -20.948 0.00 0.00 WAT1 ATOM 5096 H1 TIP3 1080 0.735 0.744 -20.976 0.00 0.00 WAT1 ATOM 5097 H2 TIP3 1080 -0.378 -0.051 -20.329 0.00 0.00 WAT1 ATOM 5098 OH2 TIP3 1081 -2.904 -0.647 -25.411 0.00 0.00 WAT1 ATOM 5099 H1 TIP3 1081 -2.153 -0.803 -25.984 0.00 0.00 WAT1 ATOM 5100 H2 TIP3 1081 -3.243 0.205 -25.687 0.00 0.00 WAT1 ATOM 5101 OH2 TIP3 1082 1.512 -2.832 -20.383 0.00 0.00 WAT1 ATOM 5102 H1 TIP3 1082 1.704 -3.763 -20.494 0.00 0.00 WAT1 ATOM 5103 H2 TIP3 1082 2.369 -2.407 -20.393 0.00 0.00 WAT1 ATOM 5104 OH2 TIP3 1083 -11.341 9.259 -32.758 0.00 0.00 WAT1 ATOM 5105 H1 TIP3 1083 -11.988 8.797 -33.291 0.00 0.00 WAT1 ATOM 5106 H2 TIP3 1083 -10.986 8.587 -32.175 0.00 0.00 WAT1 ATOM 5107 OH2 TIP3 1084 -10.471 7.340 -30.953 0.00 0.00 WAT1 ATOM 5108 H1 TIP3 1084 -10.805 6.459 -30.781 0.00 0.00 WAT1 ATOM 5109 H2 TIP3 1084 -10.249 7.685 -30.089 0.00 0.00 WAT1 ATOM 5110 OH2 TIP3 1085 -10.391 0.415 -28.502 0.00 0.00 WAT1 ATOM 5111 H1 TIP3 1085 -10.207 0.333 -29.437 0.00 0.00 WAT1 ATOM 5112 H2 TIP3 1085 -9.542 0.291 -28.078 0.00 0.00 WAT1 ATOM 5113 OH2 TIP3 1086 -9.572 -6.002 -29.470 0.00 0.00 WAT1 ATOM 5114 H1 TIP3 1086 -9.127 -6.794 -29.168 0.00 0.00 WAT1 ATOM 5115 H2 TIP3 1086 -9.106 -5.286 -29.039 0.00 0.00 WAT1 ATOM 5116 OH2 TIP3 1087 -11.268 -3.003 -28.401 0.00 0.00 WAT1 ATOM 5117 H1 TIP3 1087 -10.776 -3.224 -29.191 0.00 0.00 WAT1 ATOM 5118 H2 TIP3 1087 -10.906 -2.162 -28.120 0.00 0.00 WAT1 ATOM 5119 OH2 TIP3 1088 6.728 -6.673 -22.135 0.00 0.00 WAT1 ATOM 5120 H1 TIP3 1088 5.811 -6.402 -22.171 0.00 0.00 WAT1 ATOM 5121 H2 TIP3 1088 6.851 -7.208 -22.919 0.00 0.00 WAT1 ATOM 5122 OH2 TIP3 1089 -8.799 5.168 -21.858 0.00 0.00 WAT1 ATOM 5123 H1 TIP3 1089 -9.620 5.343 -22.318 0.00 0.00 WAT1 ATOM 5124 H2 TIP3 1089 -9.051 5.095 -20.937 0.00 0.00 WAT1 ATOM 5125 OH2 TIP3 1090 5.729 -8.583 -24.316 0.00 0.00 WAT1 ATOM 5126 H1 TIP3 1090 4.916 -8.258 -24.704 0.00 0.00 WAT1 ATOM 5127 H2 TIP3 1090 5.962 -9.343 -24.849 0.00 0.00 WAT1 ATOM 5128 OH2 TIP3 1091 -8.443 9.399 -25.552 0.00 0.00 WAT1 ATOM 5129 H1 TIP3 1091 -9.163 9.839 -26.003 0.00 0.00 WAT1 ATOM 5130 H2 TIP3 1091 -8.809 9.148 -24.703 0.00 0.00 WAT1 ATOM 5131 OH2 TIP3 1092 -9.028 8.022 -28.641 0.00 0.00 WAT1 ATOM 5132 H1 TIP3 1092 -9.047 7.597 -27.784 0.00 0.00 WAT1 ATOM 5133 H2 TIP3 1092 -8.223 7.704 -29.050 0.00 0.00 WAT1 ATOM 5134 OH2 TIP3 1093 -0.841 -7.134 -29.993 0.00 0.00 WAT1 ATOM 5135 H1 TIP3 1093 -1.516 -7.763 -29.738 0.00 0.00 WAT1 ATOM 5136 H2 TIP3 1093 -0.277 -7.618 -30.596 0.00 0.00 WAT1 ATOM 5137 OH2 TIP3 1094 -3.935 -8.573 -32.358 0.00 0.00 WAT1 ATOM 5138 H1 TIP3 1094 -3.061 -8.185 -32.388 0.00 0.00 WAT1 ATOM 5139 H2 TIP3 1094 -4.071 -8.788 -31.435 0.00 0.00 WAT1 ATOM 5140 OH2 TIP3 1095 1.622 -8.543 -30.709 0.00 0.00 WAT1 ATOM 5141 H1 TIP3 1095 1.698 -8.448 -31.658 0.00 0.00 WAT1 ATOM 5142 H2 TIP3 1095 1.346 -9.451 -30.580 0.00 0.00 WAT1 ATOM 5143 OH2 TIP3 1096 -2.791 -6.493 -35.468 0.00 0.00 WAT1 ATOM 5144 H1 TIP3 1096 -2.613 -7.139 -34.785 0.00 0.00 WAT1 ATOM 5145 H2 TIP3 1096 -2.845 -5.659 -35.001 0.00 0.00 WAT1 ATOM 5146 OH2 TIP3 1097 -0.503 -0.089 -9.938 0.00 0.00 WAT1 ATOM 5147 H1 TIP3 1097 -0.541 -0.735 -9.233 0.00 0.00 WAT1 ATOM 5148 H2 TIP3 1097 -0.826 -0.555 -10.709 0.00 0.00 WAT1 ATOM 5149 OH2 TIP3 1098 -7.211 3.976 -9.810 0.00 0.00 WAT1 ATOM 5150 H1 TIP3 1098 -7.581 3.174 -10.179 0.00 0.00 WAT1 ATOM 5151 H2 TIP3 1098 -6.270 3.807 -9.763 0.00 0.00 WAT1 ATOM 5152 OH2 TIP3 1099 6.549 -6.055 -8.671 0.00 0.00 WAT1 ATOM 5153 H1 TIP3 1099 6.598 -5.445 -7.935 0.00 0.00 WAT1 ATOM 5154 H2 TIP3 1099 6.975 -5.594 -9.394 0.00 0.00 WAT1 ATOM 5155 OH2 TIP3 1100 1.027 -3.262 -9.204 0.00 0.00 WAT1 ATOM 5156 H1 TIP3 1100 1.170 -4.209 -9.184 0.00 0.00 WAT1 ATOM 5157 H2 TIP3 1100 0.921 -3.055 -10.133 0.00 0.00 WAT1 ATOM 5158 OH2 TIP3 1101 1.904 -5.030 -13.531 0.00 0.00 WAT1 ATOM 5159 H1 TIP3 1101 2.550 -5.359 -12.906 0.00 0.00 WAT1 ATOM 5160 H2 TIP3 1101 2.414 -4.512 -14.154 0.00 0.00 WAT1 ATOM 5161 OH2 TIP3 1102 -4.042 -1.214 -11.954 0.00 0.00 WAT1 ATOM 5162 H1 TIP3 1102 -3.426 -1.740 -11.445 0.00 0.00 WAT1 ATOM 5163 H2 TIP3 1102 -4.628 -1.854 -12.358 0.00 0.00 WAT1 ATOM 5164 OH2 TIP3 1103 -4.439 1.433 -7.570 0.00 0.00 WAT1 ATOM 5165 H1 TIP3 1103 -5.179 2.031 -7.467 0.00 0.00 WAT1 ATOM 5166 H2 TIP3 1103 -3.725 1.987 -7.886 0.00 0.00 WAT1 ATOM 5167 OH2 TIP3 1104 3.668 -5.739 -11.550 0.00 0.00 WAT1 ATOM 5168 H1 TIP3 1104 3.453 -6.505 -11.018 0.00 0.00 WAT1 ATOM 5169 H2 TIP3 1104 4.324 -5.267 -11.037 0.00 0.00 WAT1 ATOM 5170 OH2 TIP3 1105 -6.031 3.397 -6.783 0.00 0.00 WAT1 ATOM 5171 H1 TIP3 1105 -6.037 4.276 -7.161 0.00 0.00 WAT1 ATOM 5172 H2 TIP3 1105 -6.885 3.314 -6.358 0.00 0.00 WAT1 ATOM 5173 OH2 TIP3 1106 4.015 -7.024 -7.871 0.00 0.00 WAT1 ATOM 5174 H1 TIP3 1106 3.279 -6.413 -7.909 0.00 0.00 WAT1 ATOM 5175 H2 TIP3 1106 4.699 -6.609 -8.397 0.00 0.00 WAT1 ATOM 5176 OH2 TIP3 1107 -0.715 -0.100 -15.905 0.00 0.00 WAT1 ATOM 5177 H1 TIP3 1107 -1.427 0.435 -16.256 0.00 0.00 WAT1 ATOM 5178 H2 TIP3 1107 -0.024 -0.044 -16.565 0.00 0.00 WAT1 ATOM 5179 OH2 TIP3 1108 -0.661 -1.642 -18.866 0.00 0.00 WAT1 ATOM 5180 H1 TIP3 1108 0.040 -1.620 -18.215 0.00 0.00 WAT1 ATOM 5181 H2 TIP3 1108 -0.359 -2.270 -19.522 0.00 0.00 WAT1 ATOM 5182 OH2 TIP3 1109 2.588 -1.716 -5.885 0.00 0.00 WAT1 ATOM 5183 H1 TIP3 1109 2.668 -0.953 -5.313 0.00 0.00 WAT1 ATOM 5184 H2 TIP3 1109 1.987 -1.437 -6.576 0.00 0.00 WAT1 ATOM 5185 OH2 TIP3 1110 -4.297 4.168 -10.389 0.00 0.00 WAT1 ATOM 5186 H1 TIP3 1110 -4.392 3.590 -11.146 0.00 0.00 WAT1 ATOM 5187 H2 TIP3 1110 -3.568 3.797 -9.893 0.00 0.00 WAT1 ATOM 5188 OH2 TIP3 1111 -5.297 -0.491 -9.437 0.00 0.00 WAT1 ATOM 5189 H1 TIP3 1111 -4.732 -0.370 -10.200 0.00 0.00 WAT1 ATOM 5190 H2 TIP3 1111 -4.978 0.146 -8.798 0.00 0.00 WAT1 ATOM 5191 OH2 TIP3 1112 1.562 -0.728 -17.268 0.00 0.00 WAT1 ATOM 5192 H1 TIP3 1112 2.141 -0.578 -16.521 0.00 0.00 WAT1 ATOM 5193 H2 TIP3 1112 1.976 -0.257 -17.991 0.00 0.00 WAT1 ATOM 5194 OH2 TIP3 1113 -7.497 0.106 -5.491 0.00 0.00 WAT1 ATOM 5195 H1 TIP3 1113 -7.427 0.757 -4.793 0.00 0.00 WAT1 ATOM 5196 H2 TIP3 1113 -8.388 0.209 -5.826 0.00 0.00 WAT1 ATOM 5197 OH2 TIP3 1114 5.260 -8.978 -17.455 0.00 0.00 WAT1 ATOM 5198 H1 TIP3 1114 4.361 -8.839 -17.160 0.00 0.00 WAT1 ATOM 5199 H2 TIP3 1114 5.512 -8.147 -17.857 0.00 0.00 WAT1 ATOM 5200 OH2 TIP3 1115 -7.586 7.754 -13.637 0.00 0.00 WAT1 ATOM 5201 H1 TIP3 1115 -7.434 7.406 -12.758 0.00 0.00 WAT1 ATOM 5202 H2 TIP3 1115 -8.437 7.398 -13.892 0.00 0.00 WAT1 ATOM 5203 OH2 TIP3 1116 4.519 -2.888 -3.620 0.00 0.00 WAT1 ATOM 5204 H1 TIP3 1116 4.112 -2.407 -4.340 0.00 0.00 WAT1 ATOM 5205 H2 TIP3 1116 4.560 -3.793 -3.927 0.00 0.00 WAT1 ATOM 5206 OH2 TIP3 1117 -8.332 3.496 -5.623 0.00 0.00 WAT1 ATOM 5207 H1 TIP3 1117 -8.115 3.135 -4.763 0.00 0.00 WAT1 ATOM 5208 H2 TIP3 1117 -9.187 3.122 -5.833 0.00 0.00 WAT1 ATOM 5209 OH2 TIP3 1118 2.276 -4.556 -5.399 0.00 0.00 WAT1 ATOM 5210 H1 TIP3 1118 1.762 -4.682 -4.602 0.00 0.00 WAT1 ATOM 5211 H2 TIP3 1118 2.121 -3.644 -5.644 0.00 0.00 WAT1 ATOM 5212 OH2 TIP3 1119 -0.089 -2.431 -14.803 0.00 0.00 WAT1 ATOM 5213 H1 TIP3 1119 -0.498 -1.616 -15.095 0.00 0.00 WAT1 ATOM 5214 H2 TIP3 1119 0.631 -2.571 -15.418 0.00 0.00 WAT1 ATOM 5215 OH2 TIP3 1120 -0.987 -2.256 -3.315 0.00 0.00 WAT1 ATOM 5216 H1 TIP3 1120 -1.550 -2.960 -2.995 0.00 0.00 WAT1 ATOM 5217 H2 TIP3 1120 -0.161 -2.376 -2.848 0.00 0.00 WAT1 ATOM 5218 OH2 TIP3 1121 0.915 -2.985 -11.989 0.00 0.00 WAT1 ATOM 5219 H1 TIP3 1121 0.720 -2.380 -12.704 0.00 0.00 WAT1 ATOM 5220 H2 TIP3 1121 1.097 -3.819 -12.424 0.00 0.00 WAT1 ATOM 5221 OH2 TIP3 1122 0.179 -1.347 -7.318 0.00 0.00 WAT1 ATOM 5222 H1 TIP3 1122 0.503 -1.978 -7.961 0.00 0.00 WAT1 ATOM 5223 H2 TIP3 1122 -0.261 -1.882 -6.657 0.00 0.00 WAT1 ATOM 5224 OH2 TIP3 1123 -7.753 1.961 -3.385 0.00 0.00 WAT1 ATOM 5225 H1 TIP3 1123 -7.020 2.215 -2.824 0.00 0.00 WAT1 ATOM 5226 H2 TIP3 1123 -8.533 2.165 -2.870 0.00 0.00 WAT1 ATOM 5227 OH2 TIP3 1124 -1.723 -2.632 -10.647 0.00 0.00 WAT1 ATOM 5228 H1 TIP3 1124 -1.159 -3.179 -11.194 0.00 0.00 WAT1 ATOM 5229 H2 TIP3 1124 -1.871 -3.154 -9.858 0.00 0.00 WAT1 ATOM 5230 OH2 TIP3 1125 -2.553 1.969 -16.548 0.00 0.00 WAT1 ATOM 5231 H1 TIP3 1125 -3.297 1.462 -16.871 0.00 0.00 WAT1 ATOM 5232 H2 TIP3 1125 -2.687 2.018 -15.602 0.00 0.00 WAT1 ATOM 5233 OH2 TIP3 1126 2.063 -3.350 -16.688 0.00 0.00 WAT1 ATOM 5234 H1 TIP3 1126 2.955 -3.487 -16.369 0.00 0.00 WAT1 ATOM 5235 H2 TIP3 1126 2.120 -2.559 -17.225 0.00 0.00 WAT1 ATOM 5236 OH2 TIP3 1127 -7.428 1.264 -10.779 0.00 0.00 WAT1 ATOM 5237 H1 TIP3 1127 -6.683 1.262 -11.380 0.00 0.00 WAT1 ATOM 5238 H2 TIP3 1127 -7.350 0.440 -10.297 0.00 0.00 WAT1 ATOM 5239 OH2 TIP3 1128 -3.403 -0.758 -3.251 0.00 0.00 WAT1 ATOM 5240 H1 TIP3 1128 -3.699 -0.924 -4.146 0.00 0.00 WAT1 ATOM 5241 H2 TIP3 1128 -2.472 -0.978 -3.261 0.00 0.00 WAT1 ATOM 5242 OH2 TIP3 1129 -5.053 4.782 -13.374 0.00 0.00 WAT1 ATOM 5243 H1 TIP3 1129 -4.526 5.555 -13.575 0.00 0.00 WAT1 ATOM 5244 H2 TIP3 1129 -5.933 5.007 -13.676 0.00 0.00 WAT1 ATOM 5245 OH2 TIP3 1130 -3.626 2.445 -13.798 0.00 0.00 WAT1 ATOM 5246 H1 TIP3 1130 -3.867 3.370 -13.756 0.00 0.00 WAT1 ATOM 5247 H2 TIP3 1130 -4.366 1.986 -13.402 0.00 0.00 WAT1 ATOM 5248 OH2 TIP3 1131 -4.942 7.467 -14.253 0.00 0.00 WAT1 ATOM 5249 H1 TIP3 1131 -5.892 7.572 -14.201 0.00 0.00 WAT1 ATOM 5250 H2 TIP3 1131 -4.591 8.287 -13.908 0.00 0.00 WAT1 ATOM 5251 OH2 TIP3 1132 -9.135 6.283 -7.471 0.00 0.00 WAT1 ATOM 5252 H1 TIP3 1132 -8.918 5.351 -7.502 0.00 0.00 WAT1 ATOM 5253 H2 TIP3 1132 -8.888 6.557 -6.587 0.00 0.00 WAT1 ATOM 5254 OH2 TIP3 1133 -4.336 4.304 -17.805 0.00 0.00 WAT1 ATOM 5255 H1 TIP3 1133 -4.189 3.784 -17.015 0.00 0.00 WAT1 ATOM 5256 H2 TIP3 1133 -4.339 5.211 -17.499 0.00 0.00 WAT1 ATOM 5257 OH2 TIP3 1134 0.733 -6.129 -15.919 0.00 0.00 WAT1 ATOM 5258 H1 TIP3 1134 0.953 -5.657 -16.722 0.00 0.00 WAT1 ATOM 5259 H2 TIP3 1134 1.291 -5.734 -15.248 0.00 0.00 WAT1 ATOM 5260 OH2 TIP3 1135 -2.067 -4.401 -15.084 0.00 0.00 WAT1 ATOM 5261 H1 TIP3 1135 -1.255 -3.897 -15.038 0.00 0.00 WAT1 ATOM 5262 H2 TIP3 1135 -2.312 -4.546 -14.170 0.00 0.00 WAT1 ATOM 5263 OH2 TIP3 1136 -1.531 -3.415 -5.899 0.00 0.00 WAT1 ATOM 5264 H1 TIP3 1136 -1.412 -2.841 -5.142 0.00 0.00 WAT1 ATOM 5265 H2 TIP3 1136 -0.876 -4.103 -5.784 0.00 0.00 WAT1 ATOM 5266 OH2 TIP3 1137 4.673 -5.508 -5.064 0.00 0.00 WAT1 ATOM 5267 H1 TIP3 1137 3.757 -5.245 -5.152 0.00 0.00 WAT1 ATOM 5268 H2 TIP3 1137 5.009 -5.511 -5.961 0.00 0.00 WAT1 ATOM 5269 OH2 TIP3 1138 3.275 -1.757 -10.968 0.00 0.00 WAT1 ATOM 5270 H1 TIP3 1138 2.478 -2.172 -11.297 0.00 0.00 WAT1 ATOM 5271 H2 TIP3 1138 3.720 -2.448 -10.477 0.00 0.00 WAT1 ATOM 5272 OH2 TIP3 1139 -7.267 4.171 -18.398 0.00 0.00 WAT1 ATOM 5273 H1 TIP3 1139 -6.675 4.870 -18.122 0.00 0.00 WAT1 ATOM 5274 H2 TIP3 1139 -6.808 3.738 -19.117 0.00 0.00 WAT1 ATOM 5275 OH2 TIP3 1140 -9.213 5.557 -14.448 0.00 0.00 WAT1 ATOM 5276 H1 TIP3 1140 -10.045 6.030 -14.421 0.00 0.00 WAT1 ATOM 5277 H2 TIP3 1140 -8.667 6.067 -15.047 0.00 0.00 WAT1 ATOM 5278 OH2 TIP3 1141 -9.924 8.170 -3.118 0.00 0.00 WAT1 ATOM 5279 H1 TIP3 1141 -9.384 7.953 -2.359 0.00 0.00 WAT1 ATOM 5280 H2 TIP3 1141 -10.405 7.364 -3.308 0.00 0.00 WAT1 ATOM 5281 OH2 TIP3 1142 -5.676 2.324 -20.032 0.00 0.00 WAT1 ATOM 5282 H1 TIP3 1142 -5.612 1.530 -19.501 0.00 0.00 WAT1 ATOM 5283 H2 TIP3 1142 -5.023 2.205 -20.721 0.00 0.00 WAT1 ATOM 5284 OH2 TIP3 1143 -3.362 1.950 -2.731 0.00 0.00 WAT1 ATOM 5285 H1 TIP3 1143 -3.690 2.221 -3.589 0.00 0.00 WAT1 ATOM 5286 H2 TIP3 1143 -3.210 1.009 -2.819 0.00 0.00 WAT1 ATOM 5287 OH2 TIP3 1144 -9.185 -0.820 -2.744 0.00 0.00 WAT1 ATOM 5288 H1 TIP3 1144 -8.777 -1.677 -2.865 0.00 0.00 WAT1 ATOM 5289 H2 TIP3 1144 -9.445 -0.805 -1.823 0.00 0.00 WAT1 ATOM 5290 OH2 TIP3 1145 -2.904 -0.647 -6.555 0.00 0.00 WAT1 ATOM 5291 H1 TIP3 1145 -2.153 -0.803 -7.128 0.00 0.00 WAT1 ATOM 5292 H2 TIP3 1145 -3.243 0.205 -6.831 0.00 0.00 WAT1 ATOM 5293 OH2 TIP3 1146 1.512 -2.832 -1.527 0.00 0.00 WAT1 ATOM 5294 H1 TIP3 1146 1.704 -3.763 -1.638 0.00 0.00 WAT1 ATOM 5295 H2 TIP3 1146 2.369 -2.407 -1.537 0.00 0.00 WAT1 ATOM 5296 OH2 TIP3 1147 0.300 -5.181 -3.724 0.00 0.00 WAT1 ATOM 5297 H1 TIP3 1147 -0.648 -5.149 -3.592 0.00 0.00 WAT1 ATOM 5298 H2 TIP3 1147 0.612 -5.806 -3.070 0.00 0.00 WAT1 ATOM 5299 OH2 TIP3 1148 1.934 -6.547 -1.719 0.00 0.00 WAT1 ATOM 5300 H1 TIP3 1148 1.837 -7.499 -1.725 0.00 0.00 WAT1 ATOM 5301 H2 TIP3 1148 1.612 -6.278 -0.858 0.00 0.00 WAT1 ATOM 5302 OH2 TIP3 1149 -9.990 3.866 -18.979 0.00 0.00 WAT1 ATOM 5303 H1 TIP3 1149 -9.076 3.945 -18.706 0.00 0.00 WAT1 ATOM 5304 H2 TIP3 1149 -9.983 3.179 -19.646 0.00 0.00 WAT1 ATOM 5305 OH2 TIP3 1150 -10.471 7.340 -12.097 0.00 0.00 WAT1 ATOM 5306 H1 TIP3 1150 -10.805 6.459 -11.925 0.00 0.00 WAT1 ATOM 5307 H2 TIP3 1150 -10.249 7.685 -11.233 0.00 0.00 WAT1 ATOM 5308 OH2 TIP3 1151 5.404 -3.043 -19.277 0.00 0.00 WAT1 ATOM 5309 H1 TIP3 1151 5.501 -2.376 -19.957 0.00 0.00 WAT1 ATOM 5310 H2 TIP3 1151 5.264 -3.859 -19.759 0.00 0.00 WAT1 ATOM 5311 OH2 TIP3 1152 4.652 -5.635 -20.160 0.00 0.00 WAT1 ATOM 5312 H1 TIP3 1152 5.262 -6.007 -19.523 0.00 0.00 WAT1 ATOM 5313 H2 TIP3 1152 3.815 -6.057 -19.964 0.00 0.00 WAT1 ATOM 5314 OH2 TIP3 1153 4.896 -3.499 -9.758 0.00 0.00 WAT1 ATOM 5315 H1 TIP3 1153 5.829 -3.287 -9.792 0.00 0.00 WAT1 ATOM 5316 H2 TIP3 1153 4.661 -3.397 -8.835 0.00 0.00 WAT1 ATOM 5317 OH2 TIP3 1154 4.925 -2.762 -6.982 0.00 0.00 WAT1 ATOM 5318 H1 TIP3 1154 4.082 -2.494 -6.616 0.00 0.00 WAT1 ATOM 5319 H2 TIP3 1154 5.368 -1.940 -7.193 0.00 0.00 WAT1 ATOM 5320 OH2 TIP3 1155 4.898 -6.817 -15.145 0.00 0.00 WAT1 ATOM 5321 H1 TIP3 1155 5.080 -7.266 -14.320 0.00 0.00 WAT1 ATOM 5322 H2 TIP3 1155 4.298 -7.402 -15.609 0.00 0.00 WAT1 ATOM 5323 OH2 TIP3 1156 6.764 -6.750 -18.617 0.00 0.00 WAT1 ATOM 5324 H1 TIP3 1156 7.177 -7.471 -19.093 0.00 0.00 WAT1 ATOM 5325 H2 TIP3 1156 7.446 -6.080 -18.559 0.00 0.00 WAT1 ATOM 5326 OH2 TIP3 1157 -8.799 5.168 -3.002 0.00 0.00 WAT1 ATOM 5327 H1 TIP3 1157 -9.620 5.343 -3.462 0.00 0.00 WAT1 ATOM 5328 H2 TIP3 1157 -9.051 5.095 -2.081 0.00 0.00 WAT1 ATOM 5329 OH2 TIP3 1158 5.729 -8.583 -5.460 0.00 0.00 WAT1 ATOM 5330 H1 TIP3 1158 4.916 -8.258 -5.848 0.00 0.00 WAT1 ATOM 5331 H2 TIP3 1158 5.962 -9.343 -5.993 0.00 0.00 WAT1 ATOM 5332 OH2 TIP3 1159 -9.028 8.022 -9.785 0.00 0.00 WAT1 ATOM 5333 H1 TIP3 1159 -9.047 7.597 -8.928 0.00 0.00 WAT1 ATOM 5334 H2 TIP3 1159 -8.223 7.704 -10.194 0.00 0.00 WAT1 ATOM 5335 OH2 TIP3 1160 -6.887 6.732 -11.130 0.00 0.00 WAT1 ATOM 5336 H1 TIP3 1160 -7.106 5.816 -10.961 0.00 0.00 WAT1 ATOM 5337 H2 TIP3 1160 -6.063 6.872 -10.664 0.00 0.00 WAT1 ATOM 5338 OH2 TIP3 1161 4.301 -9.027 -11.025 0.00 0.00 WAT1 ATOM 5339 H1 TIP3 1161 4.905 -8.479 -11.526 0.00 0.00 WAT1 ATOM 5340 H2 TIP3 1161 3.432 -8.707 -11.265 0.00 0.00 WAT1 ATOM 5341 OH2 TIP3 1162 1.622 -8.543 -11.853 0.00 0.00 WAT1 ATOM 5342 H1 TIP3 1162 1.698 -8.448 -12.802 0.00 0.00 WAT1 ATOM 5343 H2 TIP3 1162 1.346 -9.451 -11.724 0.00 0.00 WAT1 ATOM 5344 OH2 TIP3 1163 2.975 -8.517 -16.160 0.00 0.00 WAT1 ATOM 5345 H1 TIP3 1163 2.272 -7.903 -16.370 0.00 0.00 WAT1 ATOM 5346 H2 TIP3 1163 2.530 -9.355 -16.029 0.00 0.00 WAT1 ATOM 5347 OH2 TIP3 1164 -7.959 8.166 -19.589 0.00 0.00 WAT1 ATOM 5348 H1 TIP3 1164 -8.227 8.453 -18.716 0.00 0.00 WAT1 ATOM 5349 H2 TIP3 1164 -7.188 7.620 -19.437 0.00 0.00 WAT1 ATOM 5350 OH2 TIP3 1165 1.838 -9.303 -2.080 0.00 0.00 WAT1 ATOM 5351 H1 TIP3 1165 1.914 -9.729 -1.226 0.00 0.00 WAT1 ATOM 5352 H2 TIP3 1165 2.731 -9.289 -2.422 0.00 0.00 WAT1 ATOM 5353 OH2 TIP3 1166 -10.601 -2.364 4.439 0.00 0.00 WAT1 ATOM 5354 H1 TIP3 1166 -11.049 -1.518 4.421 0.00 0.00 WAT1 ATOM 5355 H2 TIP3 1166 -11.162 -2.944 3.924 0.00 0.00 WAT1 ATOM 5356 OH2 TIP3 1167 -5.818 -5.161 6.924 0.00 0.00 WAT1 ATOM 5357 H1 TIP3 1167 -5.775 -4.301 6.506 0.00 0.00 WAT1 ATOM 5358 H2 TIP3 1167 -6.276 -5.713 6.291 0.00 0.00 WAT1 ATOM 5359 OH2 TIP3 1168 -7.008 -6.243 10.998 0.00 0.00 WAT1 ATOM 5360 H1 TIP3 1168 -7.227 -5.713 10.232 0.00 0.00 WAT1 ATOM 5361 H2 TIP3 1168 -7.676 -6.016 11.646 0.00 0.00 WAT1 ATOM 5362 OH2 TIP3 1169 -7.414 -4.351 8.951 0.00 0.00 WAT1 ATOM 5363 H1 TIP3 1169 -6.801 -3.718 9.324 0.00 0.00 WAT1 ATOM 5364 H2 TIP3 1169 -6.902 -4.823 8.294 0.00 0.00 WAT1 ATOM 5365 OH2 TIP3 1170 -9.910 3.068 2.855 0.00 0.00 WAT1 ATOM 5366 H1 TIP3 1170 -10.182 3.297 1.966 0.00 0.00 WAT1 ATOM 5367 H2 TIP3 1170 -9.865 3.906 3.315 0.00 0.00 WAT1 ATOM 5368 OH2 TIP3 1171 -2.982 -8.937 8.451 0.00 0.00 WAT1 ATOM 5369 H1 TIP3 1171 -3.099 -9.886 8.397 0.00 0.00 WAT1 ATOM 5370 H2 TIP3 1171 -3.837 -8.605 8.724 0.00 0.00 WAT1 ATOM 5371 OH2 TIP3 1172 -0.661 -1.642 -0.010 0.00 0.00 WAT1 ATOM 5372 H1 TIP3 1172 0.040 -1.620 0.641 0.00 0.00 WAT1 ATOM 5373 H2 TIP3 1172 -0.359 -2.270 -0.666 0.00 0.00 WAT1 ATOM 5374 OH2 TIP3 1173 -1.050 -8.312 12.603 0.00 0.00 WAT1 ATOM 5375 H1 TIP3 1173 -0.630 -8.727 13.356 0.00 0.00 WAT1 ATOM 5376 H2 TIP3 1173 -1.983 -8.490 12.720 0.00 0.00 WAT1 ATOM 5377 OH2 TIP3 1174 -5.625 -2.847 5.236 0.00 0.00 WAT1 ATOM 5378 H1 TIP3 1174 -6.518 -3.188 5.177 0.00 0.00 WAT1 ATOM 5379 H2 TIP3 1174 -5.174 -3.224 4.480 0.00 0.00 WAT1 ATOM 5380 OH2 TIP3 1175 -11.264 -5.632 6.041 0.00 0.00 WAT1 ATOM 5381 H1 TIP3 1175 -10.633 -5.661 6.761 0.00 0.00 WAT1 ATOM 5382 H2 TIP3 1175 -10.814 -6.057 5.311 0.00 0.00 WAT1 ATOM 5383 OH2 TIP3 1176 -9.989 -4.886 1.465 0.00 0.00 WAT1 ATOM 5384 H1 TIP3 1176 -9.515 -4.295 0.880 0.00 0.00 WAT1 ATOM 5385 H2 TIP3 1176 -10.707 -4.355 1.812 0.00 0.00 WAT1 ATOM 5386 OH2 TIP3 1177 -3.043 -5.420 6.322 0.00 0.00 WAT1 ATOM 5387 H1 TIP3 1177 -3.954 -5.363 6.611 0.00 0.00 WAT1 ATOM 5388 H2 TIP3 1177 -2.538 -5.480 7.133 0.00 0.00 WAT1 ATOM 5389 OH2 TIP3 1178 -8.215 -3.791 5.149 0.00 0.00 WAT1 ATOM 5390 H1 TIP3 1178 -9.104 -3.691 4.809 0.00 0.00 WAT1 ATOM 5391 H2 TIP3 1178 -7.919 -4.633 4.803 0.00 0.00 WAT1 ATOM 5392 OH2 TIP3 1179 -4.562 -3.791 2.805 0.00 0.00 WAT1 ATOM 5393 H1 TIP3 1179 -3.630 -3.662 2.983 0.00 0.00 WAT1 ATOM 5394 H2 TIP3 1179 -4.777 -3.121 2.156 0.00 0.00 WAT1 ATOM 5395 OH2 TIP3 1180 -5.888 -2.596 0.372 0.00 0.00 WAT1 ATOM 5396 H1 TIP3 1180 -6.430 -2.976 -0.319 0.00 0.00 WAT1 ATOM 5397 H2 TIP3 1180 -5.054 -2.402 -0.057 0.00 0.00 WAT1 ATOM 5398 OH2 TIP3 1181 1.345 -5.217 0.507 0.00 0.00 WAT1 ATOM 5399 H1 TIP3 1181 0.407 -5.105 0.356 0.00 0.00 WAT1 ATOM 5400 H2 TIP3 1181 1.642 -4.360 0.813 0.00 0.00 WAT1 ATOM 5401 OH2 TIP3 1182 -9.298 -0.356 0.069 0.00 0.00 WAT1 ATOM 5402 H1 TIP3 1182 -8.682 0.271 0.448 0.00 0.00 WAT1 ATOM 5403 H2 TIP3 1182 -10.160 -0.040 0.340 0.00 0.00 WAT1 ATOM 5404 OH2 TIP3 1183 -8.786 -5.522 12.950 0.00 0.00 WAT1 ATOM 5405 H1 TIP3 1183 -9.679 -5.183 12.883 0.00 0.00 WAT1 ATOM 5406 H2 TIP3 1183 -8.885 -6.377 13.368 0.00 0.00 WAT1 ATOM 5407 OH2 TIP3 1184 0.733 -6.129 2.937 0.00 0.00 WAT1 ATOM 5408 H1 TIP3 1184 0.953 -5.657 2.134 0.00 0.00 WAT1 ATOM 5409 H2 TIP3 1184 1.291 -5.734 3.608 0.00 0.00 WAT1 ATOM 5410 OH2 TIP3 1185 -2.067 -4.401 3.772 0.00 0.00 WAT1 ATOM 5411 H1 TIP3 1185 -1.255 -3.897 3.818 0.00 0.00 WAT1 ATOM 5412 H2 TIP3 1185 -2.312 -4.546 4.686 0.00 0.00 WAT1 ATOM 5413 OH2 TIP3 1186 -1.183 -7.320 4.710 0.00 0.00 WAT1 ATOM 5414 H1 TIP3 1186 -1.530 -6.702 5.355 0.00 0.00 WAT1 ATOM 5415 H2 TIP3 1186 -0.525 -6.819 4.229 0.00 0.00 WAT1 ATOM 5416 OH2 TIP3 1187 -5.526 -6.257 1.398 0.00 0.00 WAT1 ATOM 5417 H1 TIP3 1187 -5.609 -5.368 1.744 0.00 0.00 WAT1 ATOM 5418 H2 TIP3 1187 -4.636 -6.522 1.629 0.00 0.00 WAT1 ATOM 5419 OH2 TIP3 1188 -8.951 -3.165 -0.426 0.00 0.00 WAT1 ATOM 5420 H1 TIP3 1188 -8.996 -2.226 -0.247 0.00 0.00 WAT1 ATOM 5421 H2 TIP3 1188 -9.839 -3.401 -0.696 0.00 0.00 WAT1 ATOM 5422 OH2 TIP3 1189 -8.143 -8.383 8.247 0.00 0.00 WAT1 ATOM 5423 H1 TIP3 1189 -8.372 -8.324 7.320 0.00 0.00 WAT1 ATOM 5424 H2 TIP3 1189 -8.586 -9.175 8.554 0.00 0.00 WAT1 ATOM 5425 OH2 TIP3 1190 -5.676 2.324 -1.176 0.00 0.00 WAT1 ATOM 5426 H1 TIP3 1190 -5.612 1.530 -0.645 0.00 0.00 WAT1 ATOM 5427 H2 TIP3 1190 -5.023 2.205 -1.865 0.00 0.00 WAT1 ATOM 5428 OH2 TIP3 1191 -4.527 0.296 1.130 0.00 0.00 WAT1 ATOM 5429 H1 TIP3 1191 -4.986 -0.188 1.816 0.00 0.00 WAT1 ATOM 5430 H2 TIP3 1191 -4.272 -0.372 0.494 0.00 0.00 WAT1 ATOM 5431 OH2 TIP3 1192 -3.456 -1.461 -0.607 0.00 0.00 WAT1 ATOM 5432 H1 TIP3 1192 -3.636 -1.615 -1.535 0.00 0.00 WAT1 ATOM 5433 H2 TIP3 1192 -2.505 -1.353 -0.563 0.00 0.00 WAT1 ATOM 5434 OH2 TIP3 1193 -4.486 -6.086 12.061 0.00 0.00 WAT1 ATOM 5435 H1 TIP3 1193 -3.950 -5.635 11.409 0.00 0.00 WAT1 ATOM 5436 H2 TIP3 1193 -5.338 -6.194 11.639 0.00 0.00 WAT1 ATOM 5437 OH2 TIP3 1194 -3.680 -8.630 12.493 0.00 0.00 WAT1 ATOM 5438 H1 TIP3 1194 -3.778 -7.683 12.387 0.00 0.00 WAT1 ATOM 5439 H2 TIP3 1194 -4.423 -9.002 12.017 0.00 0.00 WAT1 ATOM 5440 OH2 TIP3 1195 -3.458 -9.336 15.164 0.00 0.00 WAT1 ATOM 5441 H1 TIP3 1195 -2.746 -9.976 15.150 0.00 0.00 WAT1 ATOM 5442 H2 TIP3 1195 -3.559 -9.069 14.250 0.00 0.00 WAT1 ATOM 5443 OH2 TIP3 1196 -9.990 3.866 -0.123 0.00 0.00 WAT1 ATOM 5444 H1 TIP3 1196 -9.076 3.945 0.150 0.00 0.00 WAT1 ATOM 5445 H2 TIP3 1196 -9.983 3.179 -0.790 0.00 0.00 WAT1 ATOM 5446 OH2 TIP3 1197 -9.572 -6.002 8.242 0.00 0.00 WAT1 ATOM 5447 H1 TIP3 1197 -9.127 -6.794 8.544 0.00 0.00 WAT1 ATOM 5448 H2 TIP3 1197 -9.106 -5.286 8.673 0.00 0.00 WAT1 ATOM 5449 OH2 TIP3 1198 -10.955 -6.745 3.366 0.00 0.00 WAT1 ATOM 5450 H1 TIP3 1198 -11.880 -6.536 3.236 0.00 0.00 WAT1 ATOM 5451 H2 TIP3 1198 -10.501 -6.261 2.676 0.00 0.00 WAT1 ATOM 5452 OH2 TIP3 1199 -10.991 -8.007 11.710 0.00 0.00 WAT1 ATOM 5453 H1 TIP3 1199 -11.656 -8.253 12.353 0.00 0.00 WAT1 ATOM 5454 H2 TIP3 1199 -11.434 -7.385 11.133 0.00 0.00 WAT1 ATOM 5455 OH2 TIP3 1200 -0.841 -7.134 7.719 0.00 0.00 WAT1 ATOM 5456 H1 TIP3 1200 -1.516 -7.763 7.974 0.00 0.00 WAT1 ATOM 5457 H2 TIP3 1200 -0.277 -7.618 7.116 0.00 0.00 WAT1 ATOM 5458 OH2 TIP3 1201 -2.791 -6.493 2.244 0.00 0.00 WAT1 ATOM 5459 H1 TIP3 1201 -2.613 -7.139 2.927 0.00 0.00 WAT1 ATOM 5460 H2 TIP3 1201 -2.845 -5.659 2.711 0.00 0.00 WAT1 ATOM 5461 OH2 TIP3 1202 -8.557 -7.986 15.058 0.00 0.00 WAT1 ATOM 5462 H1 TIP3 1202 -8.923 -8.751 15.501 0.00 0.00 WAT1 ATOM 5463 H2 TIP3 1202 -7.644 -7.957 15.345 0.00 0.00 WAT1 ATOM 5464 OH2 TIP3 1203 -7.008 12.613 -26.714 0.00 0.00 WAT1 ATOM 5465 H1 TIP3 1203 -7.227 13.143 -27.480 0.00 0.00 WAT1 ATOM 5466 H2 TIP3 1203 -7.676 12.840 -26.066 0.00 0.00 WAT1 ATOM 5467 OH2 TIP3 1204 -7.872 16.108 -25.521 0.00 0.00 WAT1 ATOM 5468 H1 TIP3 1204 -7.910 16.508 -24.653 0.00 0.00 WAT1 ATOM 5469 H2 TIP3 1204 -8.363 15.291 -25.431 0.00 0.00 WAT1 ATOM 5470 OH2 TIP3 1205 -11.264 13.224 -31.671 0.00 0.00 WAT1 ATOM 5471 H1 TIP3 1205 -10.633 13.195 -30.951 0.00 0.00 WAT1 ATOM 5472 H2 TIP3 1205 -10.814 12.799 -32.401 0.00 0.00 WAT1 ATOM 5473 OH2 TIP3 1206 -10.420 18.581 -24.320 0.00 0.00 WAT1 ATOM 5474 H1 TIP3 1206 -10.197 18.163 -23.488 0.00 0.00 WAT1 ATOM 5475 H2 TIP3 1206 -11.022 17.968 -24.742 0.00 0.00 WAT1 ATOM 5476 OH2 TIP3 1207 -8.786 13.334 -24.762 0.00 0.00 WAT1 ATOM 5477 H1 TIP3 1207 -9.679 13.673 -24.829 0.00 0.00 WAT1 ATOM 5478 H2 TIP3 1207 -8.885 12.479 -24.344 0.00 0.00 WAT1 ATOM 5479 OH2 TIP3 1208 -9.185 18.036 -21.600 0.00 0.00 WAT1 ATOM 5480 H1 TIP3 1208 -8.777 17.179 -21.721 0.00 0.00 WAT1 ATOM 5481 H2 TIP3 1208 -9.445 18.051 -20.679 0.00 0.00 WAT1 ATOM 5482 OH2 TIP3 1209 -6.420 15.598 -21.232 0.00 0.00 WAT1 ATOM 5483 H1 TIP3 1209 -7.187 15.066 -21.442 0.00 0.00 WAT1 ATOM 5484 H2 TIP3 1209 -5.741 15.288 -21.831 0.00 0.00 WAT1 ATOM 5485 OH2 TIP3 1210 -8.239 13.519 -21.527 0.00 0.00 WAT1 ATOM 5486 H1 TIP3 1210 -8.028 12.812 -22.138 0.00 0.00 WAT1 ATOM 5487 H2 TIP3 1210 -8.351 13.081 -20.683 0.00 0.00 WAT1 ATOM 5488 OH2 TIP3 1211 -11.268 15.853 -28.401 0.00 0.00 WAT1 ATOM 5489 H1 TIP3 1211 -10.776 15.632 -29.191 0.00 0.00 WAT1 ATOM 5490 H2 TIP3 1211 -10.906 16.694 -28.120 0.00 0.00 WAT1 ATOM 5491 OH2 TIP3 1212 -10.991 10.849 -26.002 0.00 0.00 WAT1 ATOM 5492 H1 TIP3 1212 -11.656 10.603 -25.359 0.00 0.00 WAT1 ATOM 5493 H2 TIP3 1212 -11.434 11.471 -26.579 0.00 0.00 WAT1 ATOM 5494 OH2 TIP3 1213 -8.557 10.870 -22.654 0.00 0.00 WAT1 ATOM 5495 H1 TIP3 1213 -8.923 10.105 -22.211 0.00 0.00 WAT1 ATOM 5496 H2 TIP3 1213 -7.644 10.899 -22.367 0.00 0.00 WAT1 ATOM 5497 OH2 TIP3 1214 -6.584 10.221 -21.118 0.00 0.00 WAT1 ATOM 5498 H1 TIP3 1214 -5.685 9.947 -21.303 0.00 0.00 WAT1 ATOM 5499 H2 TIP3 1214 -6.970 9.478 -20.654 0.00 0.00 WAT1 ATOM 5500 OH2 TIP3 1215 -10.601 16.492 -14.417 0.00 0.00 WAT1 ATOM 5501 H1 TIP3 1215 -11.049 17.338 -14.435 0.00 0.00 WAT1 ATOM 5502 H2 TIP3 1215 -11.162 15.912 -14.932 0.00 0.00 WAT1 ATOM 5503 OH2 TIP3 1216 -5.818 13.695 -11.932 0.00 0.00 WAT1 ATOM 5504 H1 TIP3 1216 -5.775 14.555 -12.350 0.00 0.00 WAT1 ATOM 5505 H2 TIP3 1216 -6.276 13.143 -12.565 0.00 0.00 WAT1 ATOM 5506 OH2 TIP3 1217 -9.198 16.092 -11.170 0.00 0.00 WAT1 ATOM 5507 H1 TIP3 1217 -8.544 15.542 -10.738 0.00 0.00 WAT1 ATOM 5508 H2 TIP3 1217 -9.174 15.818 -12.086 0.00 0.00 WAT1 ATOM 5509 OH2 TIP3 1218 -9.989 13.970 -17.391 0.00 0.00 WAT1 ATOM 5510 H1 TIP3 1218 -9.515 14.561 -17.976 0.00 0.00 WAT1 ATOM 5511 H2 TIP3 1218 -10.707 14.501 -17.044 0.00 0.00 WAT1 ATOM 5512 OH2 TIP3 1219 -8.215 15.065 -13.707 0.00 0.00 WAT1 ATOM 5513 H1 TIP3 1219 -9.104 15.165 -14.047 0.00 0.00 WAT1 ATOM 5514 H2 TIP3 1219 -7.919 14.223 -14.053 0.00 0.00 WAT1 ATOM 5515 OH2 TIP3 1220 -6.721 12.360 -14.229 0.00 0.00 WAT1 ATOM 5516 H1 TIP3 1220 -7.038 11.458 -14.264 0.00 0.00 WAT1 ATOM 5517 H2 TIP3 1220 -5.940 12.362 -14.781 0.00 0.00 WAT1 ATOM 5518 OH2 TIP3 1221 -9.298 18.500 -18.787 0.00 0.00 WAT1 ATOM 5519 H1 TIP3 1221 -8.682 19.127 -18.408 0.00 0.00 WAT1 ATOM 5520 H2 TIP3 1221 -10.160 18.816 -18.516 0.00 0.00 WAT1 ATOM 5521 OH2 TIP3 1222 -5.526 12.599 -17.458 0.00 0.00 WAT1 ATOM 5522 H1 TIP3 1222 -5.609 13.488 -17.112 0.00 0.00 WAT1 ATOM 5523 H2 TIP3 1222 -4.636 12.334 -17.227 0.00 0.00 WAT1 ATOM 5524 OH2 TIP3 1223 -8.951 15.691 -19.282 0.00 0.00 WAT1 ATOM 5525 H1 TIP3 1223 -8.996 16.630 -19.103 0.00 0.00 WAT1 ATOM 5526 H2 TIP3 1223 -9.839 15.455 -19.552 0.00 0.00 WAT1 ATOM 5527 OH2 TIP3 1224 -8.143 10.473 -10.609 0.00 0.00 WAT1 ATOM 5528 H1 TIP3 1224 -8.372 10.532 -11.536 0.00 0.00 WAT1 ATOM 5529 H2 TIP3 1224 -8.586 9.681 -10.302 0.00 0.00 WAT1 ATOM 5530 OH2 TIP3 1225 -9.572 12.854 -10.614 0.00 0.00 WAT1 ATOM 5531 H1 TIP3 1225 -9.127 12.062 -10.312 0.00 0.00 WAT1 ATOM 5532 H2 TIP3 1225 -9.106 13.570 -10.183 0.00 0.00 WAT1 ATOM 5533 OH2 TIP3 1226 -11.268 15.853 -9.545 0.00 0.00 WAT1 ATOM 5534 H1 TIP3 1226 -10.776 15.632 -10.335 0.00 0.00 WAT1 ATOM 5535 H2 TIP3 1226 -10.906 16.694 -9.264 0.00 0.00 WAT1 ATOM 5536 OH2 TIP3 1227 -10.991 10.849 -7.146 0.00 0.00 WAT1 ATOM 5537 H1 TIP3 1227 -11.656 10.603 -6.503 0.00 0.00 WAT1 ATOM 5538 H2 TIP3 1227 -11.434 11.471 -7.723 0.00 0.00 WAT1 ATOM 5539 OH2 TIP3 1228 -7.817 12.070 -19.069 0.00 0.00 WAT1 ATOM 5540 H1 TIP3 1228 -7.326 11.440 -19.597 0.00 0.00 WAT1 ATOM 5541 H2 TIP3 1228 -7.194 12.366 -18.406 0.00 0.00 WAT1 END