REMARK FILENAME="resa_14_waterIni.pdb" 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:02-Mar-2011 17:46:44 created by user: gliu REMARK VERSION:1.3 ATOM 1 HA MET 1 21.602 22.127 -5.194 1.00 1.10 A ATOM 2 CB MET 1 20.486 22.570 -6.965 1.00 74.13 A ATOM 3 HB1 MET 1 19.511 22.329 -7.366 1.00 71.10 A ATOM 4 HB2 MET 1 21.242 22.101 -7.576 1.00 52.50 A ATOM 5 CG MET 1 20.672 24.076 -7.046 1.00 44.22 A ATOM 6 HG1 MET 1 19.926 24.551 -6.427 1.00 55.14 A ATOM 7 HG2 MET 1 20.540 24.389 -8.070 1.00 61.31 A ATOM 8 SD MET 1 22.306 24.603 -6.491 1.00 12.14 A ATOM 9 CE MET 1 23.084 24.998 -8.053 1.00 45.34 A ATOM 10 HE1 MET 1 23.660 25.906 -7.950 1.00 24.02 A ATOM 11 HE2 MET 1 23.736 24.189 -8.346 1.00 22.11 A ATOM 12 HE3 MET 1 22.323 25.138 -8.808 1.00 43.44 A ATOM 13 C MET 1 19.659 22.793 -4.616 1.00 0.34 A ATOM 14 O MET 1 18.436 22.723 -4.741 1.00 3.40 A ATOM 15 N MET 1 20.262 20.594 -5.529 1.00 74.33 A ATOM 16 HT1 MET 1 20.355 20.212 -4.564 1.00 37.18 A ATOM 17 HT2 MET 1 20.915 20.068 -6.151 1.00 37.18 A ATOM 18 HT3 MET 1 19.285 20.432 -5.858 1.00 37.18 A ATOM 19 CA MET 1 20.587 22.016 -5.543 1.00 35.41 A ATOM 20 N GLY 2 20.247 23.534 -3.681 1.00 44.41 A ATOM 21 HN GLY 2 21.227 23.552 -3.628 1.00 70.14 A ATOM 22 CA GLY 2 19.459 24.314 -2.745 1.00 64.12 A ATOM 23 HA1 GLY 2 18.442 24.369 -3.107 1.00 61.42 A ATOM 24 HA2 GLY 2 19.865 25.313 -2.694 1.00 23.33 A ATOM 25 C GLY 2 19.450 23.714 -1.354 1.00 73.44 A ATOM 26 O GLY 2 20.185 22.766 -1.073 1.00 73.15 A ATOM 27 N HIS 3 18.617 24.267 -0.477 1.00 61.41 A ATOM 28 HN HIS 3 18.057 25.019 -0.761 1.00 11.13 A ATOM 29 CA HIS 3 18.517 23.780 0.894 1.00 13.13 A ATOM 30 HA HIS 3 19.499 23.458 1.205 1.00 42.33 A ATOM 31 CB HIS 3 18.044 24.900 1.822 1.00 70.03 A ATOM 32 HB1 HIS 3 17.084 25.259 1.482 1.00 61.23 A ATOM 33 HB2 HIS 3 18.758 25.710 1.790 1.00 44.24 A ATOM 34 CG HIS 3 17.898 24.473 3.250 1.00 53.21 A ATOM 35 ND1 HIS 3 18.720 23.538 3.844 1.00 73.13 A ATOM 36 HD1 HIS 3 19.459 23.068 3.408 1.00 63.31 A ATOM 37 CD2 HIS 3 17.020 24.861 4.204 1.00 12.14 A ATOM 38 HD2 HIS 3 16.227 25.588 4.090 1.00 24.44 A ATOM 39 CE1 HIS 3 18.352 23.368 5.101 1.00 30.41 A ATOM 40 HE1 HIS 3 18.812 22.696 5.809 1.00 5.15 A ATOM 41 NE2 HIS 3 17.322 24.159 5.345 1.00 4.43 A ATOM 42 HE2 HIS 3 16.794 24.160 6.171 1.00 37.18 A ATOM 43 C HIS 3 17.561 22.594 0.981 1.00 21.14 A ATOM 44 O HIS 3 17.986 21.453 1.167 1.00 45.22 A ATOM 45 N HIS 4 16.268 22.871 0.847 1.00 31.23 A ATOM 46 HN HIS 4 15.991 23.799 0.702 1.00 53.14 A ATOM 47 CA HIS 4 15.252 21.826 0.911 1.00 12.21 A ATOM 48 HA HIS 4 15.377 21.299 1.845 1.00 42.31 A ATOM 49 CB HIS 4 13.854 22.443 0.870 1.00 23.31 A ATOM 50 HB1 HIS 4 13.130 21.664 0.678 1.00 71.01 A ATOM 51 HB2 HIS 4 13.811 23.170 0.072 1.00 1.42 A ATOM 52 CG HIS 4 13.465 23.132 2.142 1.00 32.51 A ATOM 53 ND1 HIS 4 13.723 24.464 2.385 1.00 11.05 A ATOM 54 HD1 HIS 4 14.174 25.081 1.773 1.00 64.43 A ATOM 55 CD2 HIS 4 12.832 22.665 3.244 1.00 40.01 A ATOM 56 HD2 HIS 4 12.479 21.655 3.402 1.00 4.44 A ATOM 57 CE1 HIS 4 13.267 24.787 3.582 1.00 63.13 A ATOM 58 HE1 HIS 4 13.329 25.763 4.040 1.00 64.41 A ATOM 59 NE2 HIS 4 12.723 23.713 4.123 1.00 34.04 A ATOM 60 HE2 HIS 4 12.232 23.695 4.972 1.00 37.18 A ATOM 61 C HIS 4 15.418 20.836 -0.239 1.00 31.14 A ATOM 62 O HIS 4 15.248 21.189 -1.405 1.00 2.20 A ATOM 63 N HIS 5 15.752 19.595 0.101 1.00 34.52 A ATOM 64 HN HIS 5 15.873 19.374 1.048 1.00 32.01 A ATOM 65 CA HIS 5 15.941 18.553 -0.902 1.00 71.11 A ATOM 66 HA HIS 5 15.688 18.970 -1.865 1.00 34.01 A ATOM 67 CB HIS 5 17.401 18.097 -0.926 1.00 2.23 A ATOM 68 HB1 HIS 5 17.700 17.816 0.074 1.00 61.11 A ATOM 69 HB2 HIS 5 18.020 18.914 -1.265 1.00 10.10 A ATOM 70 CG HIS 5 17.648 16.927 -1.829 1.00 11.44 A ATOM 71 ND1 HIS 5 18.512 15.901 -1.509 1.00 12.02 A ATOM 72 HD1 HIS 5 19.040 15.832 -0.686 1.00 70.41 A ATOM 73 CD2 HIS 5 17.139 16.624 -3.044 1.00 32.30 A ATOM 74 HD2 HIS 5 16.424 17.210 -3.605 1.00 31.34 A ATOM 75 CE1 HIS 5 18.524 15.018 -2.491 1.00 33.52 A ATOM 76 HE1 HIS 5 19.108 14.110 -2.518 1.00 42.10 A ATOM 77 NE2 HIS 5 17.698 15.432 -3.436 1.00 11.35 A ATOM 78 HE2 HIS 5 17.442 14.916 -4.229 1.00 37.18 A ATOM 79 C HIS 5 15.028 17.362 -0.627 1.00 60.45 A ATOM 80 O HIS 5 15.418 16.413 0.055 1.00 15.10 A ATOM 81 N HIS 6 13.813 17.418 -1.163 1.00 34.22 A ATOM 82 HN HIS 6 13.561 18.200 -1.697 1.00 24.12 A ATOM 83 CA HIS 6 12.845 16.343 -0.976 1.00 42.30 A ATOM 84 HA HIS 6 13.279 15.619 -0.303 1.00 14.11 A ATOM 85 CB HIS 6 11.558 16.890 -0.354 1.00 24.20 A ATOM 86 HB1 HIS 6 11.790 17.340 0.601 1.00 42.25 A ATOM 87 HB2 HIS 6 10.865 16.076 -0.204 1.00 72.34 A ATOM 88 CG HIS 6 10.878 17.923 -1.198 1.00 74.10 A ATOM 89 ND1 HIS 6 10.255 17.628 -2.392 1.00 34.53 A ATOM 90 HD1 HIS 6 10.194 16.740 -2.802 1.00 60.23 A ATOM 91 CD2 HIS 6 10.723 19.255 -1.014 1.00 44.02 A ATOM 92 HD2 HIS 6 11.088 19.834 -0.178 1.00 61.11 A ATOM 93 CE1 HIS 6 9.747 18.734 -2.907 1.00 74.54 A ATOM 94 HE1 HIS 6 9.204 18.807 -3.837 1.00 73.22 A ATOM 95 NE2 HIS 6 10.018 19.736 -2.090 1.00 25.54 A ATOM 96 HE2 HIS 6 9.670 20.648 -2.183 1.00 37.18 A ATOM 97 C HIS 6 12.531 15.657 -2.302 1.00 32.41 A ATOM 98 O HIS 6 12.697 16.244 -3.372 1.00 32.15 A ATOM 99 N HIS 7 12.079 14.409 -2.223 1.00 55.43 A ATOM 100 HN HIS 7 11.966 13.995 -1.342 1.00 43.43 A ATOM 101 CA HIS 7 11.741 13.643 -3.418 1.00 21.54 A ATOM 102 HA HIS 7 12.252 14.093 -4.255 1.00 73.54 A ATOM 103 CB HIS 7 12.210 12.195 -3.270 1.00 31.24 A ATOM 104 HB1 HIS 7 11.596 11.559 -3.890 1.00 32.53 A ATOM 105 HB2 HIS 7 12.104 11.893 -2.238 1.00 13.41 A ATOM 106 CG HIS 7 13.639 11.984 -3.665 1.00 1.32 A ATOM 107 ND1 HIS 7 14.698 12.218 -2.812 1.00 33.55 A ATOM 108 HD1 HIS 7 14.630 12.537 -1.888 1.00 22.20 A ATOM 109 CD2 HIS 7 14.182 11.558 -4.828 1.00 21.20 A ATOM 110 HD2 HIS 7 13.645 11.281 -5.724 1.00 10.02 A ATOM 111 CE1 HIS 7 15.831 11.945 -3.436 1.00 2.31 A ATOM 112 HE1 HIS 7 16.822 12.036 -3.015 1.00 73.21 A ATOM 113 NE2 HIS 7 15.546 11.542 -4.660 1.00 50.51 A ATOM 114 HE2 HIS 7 16.194 11.186 -5.303 1.00 37.18 A ATOM 115 C HIS 7 10.239 13.679 -3.681 1.00 72.32 A ATOM 116 O HIS 7 9.452 13.098 -2.933 1.00 5.42 A ATOM 117 N HIS 8 9.848 14.364 -4.750 1.00 53.53 A ATOM 118 HN HIS 8 10.521 14.805 -5.309 1.00 4.13 A ATOM 119 CA HIS 8 8.438 14.476 -5.113 1.00 42.44 A ATOM 120 HA HIS 8 7.855 14.383 -4.209 1.00 20.21 A ATOM 121 CB HIS 8 8.159 15.840 -5.745 1.00 64.04 A ATOM 122 HB1 HIS 8 8.393 15.795 -6.800 1.00 21.23 A ATOM 123 HB2 HIS 8 8.787 16.583 -5.276 1.00 25.11 A ATOM 124 CG HIS 8 6.736 16.285 -5.607 1.00 42.30 A ATOM 125 ND1 HIS 8 6.177 17.274 -6.389 1.00 72.43 A ATOM 126 HD1 HIS 8 6.637 17.774 -7.095 1.00 33.31 A ATOM 127 CD2 HIS 8 5.756 15.870 -4.770 1.00 25.05 A ATOM 128 HD2 HIS 8 5.840 15.101 -4.014 1.00 65.25 A ATOM 129 CE1 HIS 8 4.915 17.448 -6.038 1.00 1.02 A ATOM 130 HE1 HIS 8 4.229 18.156 -6.479 1.00 12.15 A ATOM 131 NE2 HIS 8 4.635 16.608 -5.058 1.00 11.02 A ATOM 132 HE2 HIS 8 3.797 16.591 -4.550 1.00 37.18 A ATOM 133 C HIS 8 8.035 13.363 -6.075 1.00 14.51 A ATOM 134 O HIS 8 8.297 13.442 -7.276 1.00 11.00 A ATOM 135 N SER 9 7.396 12.328 -5.540 1.00 21.31 A ATOM 136 HN SER 9 7.216 12.323 -4.576 1.00 41.33 A ATOM 137 CA SER 9 6.960 11.197 -6.351 1.00 25.44 A ATOM 138 HA SER 9 7.671 11.072 -7.154 1.00 71.42 A ATOM 139 CB SER 9 6.931 9.920 -5.509 1.00 24.45 A ATOM 140 HB1 SER 9 6.941 9.060 -6.163 1.00 73.00 A ATOM 141 HB2 SER 9 6.034 9.906 -4.910 1.00 42.51 A ATOM 142 OG SER 9 8.055 9.851 -4.648 1.00 32.34 A ATOM 143 HG SER 9 8.417 8.962 -4.665 1.00 24.04 A ATOM 144 C SER 9 5.581 11.456 -6.950 1.00 43.30 A ATOM 145 O SER 9 4.741 12.118 -6.338 1.00 44.13 A ATOM 146 N HIS 10 5.355 10.930 -8.149 1.00 0.14 A ATOM 147 HN HIS 10 6.064 10.413 -8.585 1.00 35.33 A ATOM 148 CA HIS 10 4.078 11.104 -8.831 1.00 34.20 A ATOM 149 HA HIS 10 3.542 11.899 -8.335 1.00 21.01 A ATOM 150 CB HIS 10 4.305 11.493 -10.293 1.00 73.21 A ATOM 151 HB1 HIS 10 4.829 12.437 -10.329 1.00 61.13 A ATOM 152 HB2 HIS 10 3.348 11.598 -10.782 1.00 41.44 A ATOM 153 CG HIS 10 5.107 10.489 -11.061 1.00 51.05 A ATOM 154 ND1 HIS 10 6.420 10.697 -11.428 1.00 72.45 A ATOM 155 HD1 HIS 10 6.949 11.497 -11.233 1.00 11.45 A ATOM 156 CD2 HIS 10 4.775 9.264 -11.532 1.00 64.01 A ATOM 157 HD2 HIS 10 3.818 8.773 -11.427 1.00 12.52 A ATOM 158 CE1 HIS 10 6.861 9.644 -12.093 1.00 74.51 A ATOM 159 HE1 HIS 10 7.852 9.525 -12.505 1.00 30.41 A ATOM 160 NE2 HIS 10 5.882 8.759 -12.169 1.00 42.55 A ATOM 161 HE2 HIS 10 5.970 7.850 -12.526 1.00 37.18 A ATOM 162 C HIS 10 3.244 9.828 -8.756 1.00 14.55 A ATOM 163 O HIS 10 2.462 9.532 -9.660 1.00 12.21 A ATOM 164 N SER 11 3.416 9.077 -7.674 1.00 4.34 A ATOM 165 HN SER 11 4.054 9.367 -6.988 1.00 64.01 A ATOM 166 CA SER 11 2.683 7.831 -7.482 1.00 1.44 A ATOM 167 HA SER 11 2.056 7.680 -8.348 1.00 71.24 A ATOM 168 CB SER 11 3.655 6.656 -7.360 1.00 2.41 A ATOM 169 HB1 SER 11 3.154 5.746 -7.654 1.00 32.13 A ATOM 170 HB2 SER 11 3.985 6.570 -6.335 1.00 15.43 A ATOM 171 OG SER 11 4.788 6.843 -8.189 1.00 4.41 A ATOM 172 HG SER 11 4.518 6.821 -9.110 1.00 2.22 A ATOM 173 C SER 11 1.799 7.906 -6.241 1.00 11.35 A ATOM 174 O SER 11 2.256 8.282 -5.162 1.00 11.40 A ATOM 175 N ASP 12 0.531 7.546 -6.404 1.00 33.21 A ATOM 176 HN ASP 12 0.226 7.255 -7.288 1.00 50.22 A ATOM 177 CA ASP 12 -0.418 7.571 -5.297 1.00 20.45 A ATOM 178 HA ASP 12 -0.026 8.230 -4.537 1.00 72.41 A ATOM 179 CB ASP 12 -1.771 8.107 -5.770 1.00 32.01 A ATOM 180 HB1 ASP 12 -1.638 9.105 -6.160 1.00 74.11 A ATOM 181 HB2 ASP 12 -2.450 8.141 -4.930 1.00 21.12 A ATOM 182 CG ASP 12 -2.389 7.245 -6.852 1.00 22.34 A ATOM 183 OD1 ASP 12 -2.408 7.683 -8.021 1.00 24.14 A ATOM 184 OD2 ASP 12 -2.857 6.132 -6.530 1.00 30.13 A ATOM 185 C ASP 12 -0.591 6.178 -4.697 1.00 53.50 A ATOM 186 O ASP 12 0.046 5.221 -5.134 1.00 33.14 A ATOM 187 N ASN 13 -1.456 6.075 -3.694 1.00 73.12 A ATOM 188 HN ASN 13 -1.934 6.875 -3.389 1.00 74.53 A ATOM 189 CA ASN 13 -1.710 4.800 -3.032 1.00 51.04 A ATOM 190 HA ASN 13 -1.304 4.017 -3.654 1.00 50.23 A ATOM 191 CB ASN 13 -1.020 4.762 -1.668 1.00 64.10 A ATOM 192 HB1 ASN 13 -1.625 5.292 -0.950 1.00 11.52 A ATOM 193 HB2 ASN 13 -0.056 5.243 -1.746 1.00 44.33 A ATOM 194 CG ASN 13 -0.808 3.346 -1.168 1.00 3.43 A ATOM 195 OD1 ASN 13 -1.474 2.412 -1.612 1.00 13.02 A ATOM 196 ND2 ASN 13 0.124 3.182 -0.236 1.00 2.30 A ATOM 197 HD21 ASN 13 0.616 3.972 0.072 1.00 40.44 A ATOM 198 HD22 ASN 13 0.282 2.277 0.106 1.00 4.55 A ATOM 199 C ASN 13 -3.209 4.565 -2.863 1.00 10.25 A ATOM 200 O ASN 13 -3.830 5.093 -1.941 1.00 3.30 A ATOM 201 N ASN 14 -3.783 3.769 -3.758 1.00 61.53 A ATOM 202 HN ASN 14 -3.235 3.377 -4.471 1.00 73.34 A ATOM 203 CA ASN 14 -5.208 3.463 -3.709 1.00 11.22 A ATOM 204 HA ASN 14 -5.705 4.283 -3.212 1.00 71.21 A ATOM 205 CB ASN 14 -5.772 3.324 -5.123 1.00 45.15 A ATOM 206 HB1 ASN 14 -5.449 4.166 -5.718 1.00 21.33 A ATOM 207 HB2 ASN 14 -6.851 3.315 -5.075 1.00 62.25 A ATOM 208 CG ASN 14 -5.312 2.050 -5.806 1.00 35.02 A ATOM 209 OD1 ASN 14 -5.966 1.011 -5.709 1.00 64.12 A ATOM 210 ND2 ASN 14 -4.183 2.125 -6.500 1.00 71.24 A ATOM 211 HD21 ASN 14 -3.716 2.986 -6.534 1.00 63.24 A ATOM 212 HD22 ASN 14 -3.864 1.316 -6.953 1.00 44.02 A ATOM 213 C ASN 14 -5.462 2.182 -2.919 1.00 54.30 A ATOM 214 O ASN 14 -6.578 1.932 -2.462 1.00 10.50 A ATOM 215 N THR 15 -4.420 1.373 -2.764 1.00 65.43 A ATOM 216 HN THR 15 -3.556 1.627 -3.152 1.00 35.33 A ATOM 217 CA THR 15 -4.529 0.117 -2.032 1.00 11.42 A ATOM 218 HA THR 15 -5.556 -0.212 -2.087 1.00 35.14 A ATOM 219 CB THR 15 -3.636 -0.975 -2.651 1.00 12.40 A ATOM 220 HB THR 15 -2.603 -0.723 -2.465 1.00 50.41 A ATOM 221 OG1 THR 15 -3.854 -1.040 -4.066 1.00 0.31 A ATOM 222 HG1 THR 15 -3.648 -0.189 -4.460 1.00 13.22 A ATOM 223 CG2 THR 15 -3.928 -2.330 -2.026 1.00 63.54 A ATOM 224 HG21 THR 15 -3.382 -3.096 -2.556 1.00 60.43 A ATOM 225 HG22 THR 15 -4.986 -2.535 -2.085 1.00 73.13 A ATOM 226 HG23 THR 15 -3.620 -2.322 -0.992 1.00 24.15 A ATOM 227 C THR 15 -4.146 0.300 -0.567 1.00 24.02 A ATOM 228 O THR 15 -3.248 1.078 -0.243 1.00 50.41 A ATOM 229 N ILE 16 -4.830 -0.422 0.314 1.00 72.23 A ATOM 230 HN ILE 16 -5.534 -1.025 -0.006 1.00 5.32 A ATOM 231 CA ILE 16 -4.559 -0.340 1.744 1.00 70.54 A ATOM 232 HA ILE 16 -3.699 0.299 1.883 1.00 32.24 A ATOM 233 CB ILE 16 -5.748 0.272 2.508 1.00 63.31 A ATOM 234 HB ILE 16 -5.482 0.334 3.552 1.00 42.20 A ATOM 235 CG1 ILE 16 -6.988 -0.612 2.359 1.00 24.43 A ATOM 236 HG11 ILE 16 -6.745 -1.616 2.678 1.00 61.04 A ATOM 237 HG12 ILE 16 -7.287 -0.631 1.322 1.00 2.03 A ATOM 238 CG2 ILE 16 -6.030 1.680 2.005 1.00 33.22 A ATOM 239 HG21 ILE 16 -6.867 2.094 2.550 1.00 62.23 A ATOM 240 HG22 ILE 16 -5.161 2.299 2.162 1.00 65.14 A ATOM 241 HG23 ILE 16 -6.267 1.647 0.953 1.00 21.53 A ATOM 242 CD1 ILE 16 -8.168 -0.138 3.175 1.00 14.14 A ATOM 243 HD11 ILE 16 -8.458 0.851 2.851 1.00 4.22 A ATOM 244 HD12 ILE 16 -8.996 -0.818 3.040 1.00 11.44 A ATOM 245 HD13 ILE 16 -7.896 -0.107 4.221 1.00 61.35 A ATOM 246 C ILE 16 -4.250 -1.716 2.324 1.00 32.41 A ATOM 247 O ILE 16 -4.835 -2.720 1.915 1.00 3.03 A ATOM 248 N PHE 17 -3.329 -1.756 3.280 1.00 40.40 A ATOM 249 HN PHE 17 -2.898 -0.922 3.564 1.00 11.32 A ATOM 250 CA PHE 17 -2.943 -3.008 3.918 1.00 24.53 A ATOM 251 HA PHE 17 -3.296 -3.818 3.300 1.00 54.01 A ATOM 252 CB PHE 17 -1.418 -3.098 4.035 1.00 75.12 A ATOM 253 HB1 PHE 17 -1.067 -2.307 4.678 1.00 55.41 A ATOM 254 HB2 PHE 17 -0.984 -2.979 3.053 1.00 23.52 A ATOM 255 CG PHE 17 -0.937 -4.404 4.598 1.00 41.14 A ATOM 256 CD1 PHE 17 -1.188 -5.595 3.936 1.00 0.33 A ATOM 257 HD1 PHE 17 -1.737 -5.578 3.005 1.00 43.20 A ATOM 258 CD2 PHE 17 -0.232 -4.441 5.790 1.00 15.42 A ATOM 259 HD2 PHE 17 -0.030 -3.519 6.317 1.00 51.33 A ATOM 260 CE1 PHE 17 -0.745 -6.798 4.452 1.00 20.12 A ATOM 261 HE1 PHE 17 -0.947 -7.719 3.925 1.00 53.12 A ATOM 262 CE2 PHE 17 0.213 -5.641 6.312 1.00 44.24 A ATOM 263 HE2 PHE 17 0.761 -5.656 7.242 1.00 32.13 A ATOM 264 CZ PHE 17 -0.043 -6.821 5.642 1.00 32.10 A ATOM 265 HZ PHE 17 0.303 -7.760 6.046 1.00 4.15 A ATOM 266 C PHE 17 -3.577 -3.133 5.302 1.00 42.24 A ATOM 267 O PHE 17 -3.373 -2.283 6.169 1.00 62.20 A ATOM 268 N VAL 18 -4.347 -4.198 5.498 1.00 21.21 A ATOM 269 HN VAL 18 -4.471 -4.840 4.769 1.00 24.43 A ATOM 270 CA VAL 18 -5.011 -4.435 6.775 1.00 32.41 A ATOM 271 HA VAL 18 -4.896 -3.549 7.381 1.00 13.43 A ATOM 272 CB VAL 18 -6.517 -4.699 6.584 1.00 43.43 A ATOM 273 HB VAL 18 -6.635 -5.656 6.098 1.00 53.23 A ATOM 274 CG1 VAL 18 -7.224 -4.757 7.929 1.00 21.31 A ATOM 275 HG11 VAL 18 -6.952 -3.892 8.515 1.00 31.33 A ATOM 276 HG12 VAL 18 -8.293 -4.768 7.774 1.00 2.42 A ATOM 277 HG13 VAL 18 -6.927 -5.654 8.453 1.00 61.33 A ATOM 278 CG2 VAL 18 -7.135 -3.631 5.693 1.00 22.14 A ATOM 279 HG21 VAL 18 -6.603 -3.594 4.755 1.00 63.34 A ATOM 280 HG22 VAL 18 -8.171 -3.871 5.510 1.00 72.12 A ATOM 281 HG23 VAL 18 -7.069 -2.671 6.183 1.00 32.01 A ATOM 282 C VAL 18 -4.389 -5.619 7.507 1.00 4.11 A ATOM 283 O VAL 18 -3.898 -6.559 6.882 1.00 11.22 A ATOM 284 N GLN 19 -4.413 -5.565 8.835 1.00 63.51 A ATOM 285 HN GLN 19 -4.818 -4.790 9.274 1.00 43.22 A ATOM 286 CA GLN 19 -3.850 -6.634 9.652 1.00 0.13 A ATOM 287 HA GLN 19 -3.639 -7.471 9.004 1.00 23.12 A ATOM 288 CB GLN 19 -2.546 -6.172 10.306 1.00 4.11 A ATOM 289 HB1 GLN 19 -2.236 -6.915 11.026 1.00 11.52 A ATOM 290 HB2 GLN 19 -2.726 -5.238 10.818 1.00 23.32 A ATOM 291 CG GLN 19 -1.411 -5.963 9.318 1.00 64.43 A ATOM 292 HG1 GLN 19 -1.610 -5.071 8.742 1.00 75.44 A ATOM 293 HG2 GLN 19 -1.366 -6.815 8.655 1.00 20.00 A ATOM 294 CD GLN 19 -0.065 -5.810 9.998 1.00 60.31 A ATOM 295 OE1 GLN 19 0.655 -4.839 9.765 1.00 52.23 A ATOM 296 NE2 GLN 19 0.282 -6.771 10.847 1.00 63.20 A ATOM 297 HE21 GLN 19 -0.341 -7.516 10.982 1.00 11.03 A ATOM 298 HE22 GLN 19 1.147 -6.698 11.300 1.00 71.15 A ATOM 299 C GLN 19 -4.840 -7.079 10.723 1.00 12.15 A ATOM 300 O GLN 19 -5.793 -6.367 11.036 1.00 62.13 A ATOM 301 N GLY 20 -4.607 -8.262 11.283 1.00 30.23 A ATOM 302 HN GLY 20 -3.831 -8.787 10.994 1.00 2.55 A ATOM 303 CA GLY 20 -5.487 -8.782 12.312 1.00 14.02 A ATOM 304 HA1 GLY 20 -5.585 -8.042 13.094 1.00 22.33 A ATOM 305 HA2 GLY 20 -5.046 -9.675 12.729 1.00 34.44 A ATOM 306 C GLY 20 -6.867 -9.116 11.782 1.00 72.21 A ATOM 307 O GLY 20 -7.825 -9.224 12.546 1.00 32.25 A ATOM 308 N LEU 21 -6.970 -9.279 10.468 1.00 42.15 A ATOM 309 HN LEU 21 -6.171 -9.180 9.909 1.00 21.23 A ATOM 310 CA LEU 21 -8.243 -9.601 9.834 1.00 65.24 A ATOM 311 HA LEU 21 -8.937 -8.805 10.059 1.00 70.10 A ATOM 312 CB LEU 21 -8.071 -9.696 8.317 1.00 51.14 A ATOM 313 HB1 LEU 21 -9.011 -10.026 7.898 1.00 72.22 A ATOM 314 HB2 LEU 21 -7.311 -10.435 8.116 1.00 43.32 A ATOM 315 CG LEU 21 -7.668 -8.404 7.605 1.00 51.10 A ATOM 316 HG LEU 21 -6.931 -7.885 8.204 1.00 63.35 A ATOM 317 CD1 LEU 21 -7.040 -8.712 6.254 1.00 13.20 A ATOM 318 HD11 LEU 21 -7.226 -9.744 5.998 1.00 51.21 A ATOM 319 HD12 LEU 21 -5.976 -8.539 6.304 1.00 73.23 A ATOM 320 HD13 LEU 21 -7.475 -8.070 5.501 1.00 2.54 A ATOM 321 CD2 LEU 21 -8.871 -7.488 7.440 1.00 11.00 A ATOM 322 HD21 LEU 21 -8.636 -6.708 6.732 1.00 43.33 A ATOM 323 HD22 LEU 21 -9.121 -7.045 8.393 1.00 44.03 A ATOM 324 HD23 LEU 21 -9.713 -8.061 7.078 1.00 0.52 A ATOM 325 C LEU 21 -8.804 -10.912 10.376 1.00 54.43 A ATOM 326 O LEU 21 -10.016 -11.068 10.517 1.00 14.34 A ATOM 327 N GLY 22 -7.915 -11.851 10.680 1.00 43.14 A ATOM 328 HN GLY 22 -6.960 -11.671 10.546 1.00 44.51 A ATOM 329 CA GLY 22 -8.341 -13.135 11.204 1.00 43.10 A ATOM 330 HA1 GLY 22 -9.382 -13.069 11.485 1.00 2.32 A ATOM 331 HA2 GLY 22 -7.755 -13.364 12.082 1.00 21.13 A ATOM 332 C GLY 22 -8.176 -14.257 10.199 1.00 42.41 A ATOM 333 O GLY 22 -7.857 -14.013 9.035 1.00 14.23 A ATOM 334 N GLU 23 -8.389 -15.489 10.648 1.00 32.14 A ATOM 335 HN GLU 23 -8.641 -15.619 11.587 1.00 63.32 A ATOM 336 CA GLU 23 -8.261 -16.652 9.777 1.00 25.25 A ATOM 337 HA GLU 23 -7.438 -16.471 9.104 1.00 63.44 A ATOM 338 CB GLU 23 -7.958 -17.904 10.604 1.00 34.11 A ATOM 339 HB1 GLU 23 -7.796 -18.734 9.933 1.00 50.42 A ATOM 340 HB2 GLU 23 -8.812 -18.122 11.231 1.00 54.42 A ATOM 341 CG GLU 23 -6.736 -17.766 11.495 1.00 51.24 A ATOM 342 HG1 GLU 23 -7.017 -17.233 12.392 1.00 55.21 A ATOM 343 HG2 GLU 23 -5.982 -17.203 10.965 1.00 34.05 A ATOM 344 CD GLU 23 -6.149 -19.106 11.893 1.00 61.34 A ATOM 345 OE1 GLU 23 -4.921 -19.177 12.107 1.00 41.55 A ATOM 346 OE2 GLU 23 -6.918 -20.085 11.989 1.00 75.35 A ATOM 347 C GLU 23 -9.531 -16.863 8.960 1.00 62.44 A ATOM 348 O GLU 23 -9.502 -17.487 7.900 1.00 42.14 A ATOM 349 N ASN 24 -10.644 -16.339 9.460 1.00 63.34 A ATOM 350 HN ASN 24 -10.604 -15.853 10.309 1.00 14.24 A ATOM 351 CA ASN 24 -11.926 -16.471 8.777 1.00 71.01 A ATOM 352 HA ASN 24 -11.854 -17.306 8.097 1.00 74.24 A ATOM 353 CB ASN 24 -13.040 -16.747 9.788 1.00 51.13 A ATOM 354 HB1 ASN 24 -13.998 -16.615 9.305 1.00 63.52 A ATOM 355 HB2 ASN 24 -12.957 -16.048 10.607 1.00 2.02 A ATOM 356 CG ASN 24 -12.976 -18.154 10.351 1.00 52.45 A ATOM 357 OD1 ASN 24 -12.345 -18.394 11.380 1.00 44.24 A ATOM 358 ND2 ASN 24 -13.630 -19.091 9.675 1.00 62.52 A ATOM 359 HD21 ASN 24 -14.112 -18.827 8.864 1.00 74.31 A ATOM 360 HD22 ASN 24 -13.606 -20.009 10.018 1.00 71.52 A ATOM 361 C ASN 24 -12.249 -15.212 7.978 1.00 4.33 A ATOM 362 O ASN 24 -13.383 -14.737 7.979 1.00 54.11 A ATOM 363 N VAL 25 -11.240 -14.675 7.296 1.00 60.40 A ATOM 364 HN VAL 25 -10.357 -15.100 7.336 1.00 55.52 A ATOM 365 CA VAL 25 -11.417 -13.472 6.492 1.00 22.34 A ATOM 366 HA VAL 25 -12.333 -12.993 6.804 1.00 60.54 A ATOM 367 CB VAL 25 -10.258 -12.481 6.705 1.00 44.43 A ATOM 368 HB VAL 25 -10.200 -12.245 7.757 1.00 2.52 A ATOM 369 CG1 VAL 25 -8.935 -13.106 6.286 1.00 60.25 A ATOM 370 HG11 VAL 25 -8.760 -13.999 6.868 1.00 3.52 A ATOM 371 HG12 VAL 25 -8.975 -13.361 5.237 1.00 63.24 A ATOM 372 HG13 VAL 25 -8.135 -12.402 6.456 1.00 63.11 A ATOM 373 CG2 VAL 25 -10.513 -11.191 5.939 1.00 31.13 A ATOM 374 HG21 VAL 25 -10.775 -11.425 4.918 1.00 25.44 A ATOM 375 HG22 VAL 25 -11.325 -10.651 6.404 1.00 2.54 A ATOM 376 HG23 VAL 25 -9.621 -10.582 5.952 1.00 42.23 A ATOM 377 C VAL 25 -11.514 -13.812 5.008 1.00 30.35 A ATOM 378 O VAL 25 -10.768 -14.650 4.502 1.00 54.12 A ATOM 379 N THR 26 -12.441 -13.156 4.316 1.00 35.35 A ATOM 380 HN THR 26 -13.005 -12.501 4.777 1.00 2.12 A ATOM 381 CA THR 26 -12.639 -13.389 2.892 1.00 25.03 A ATOM 382 HA THR 26 -11.853 -14.046 2.550 1.00 65.41 A ATOM 383 CB THR 26 -13.993 -14.069 2.616 1.00 24.52 A ATOM 384 HB THR 26 -14.348 -13.750 1.646 1.00 64.13 A ATOM 385 OG1 THR 26 -14.946 -13.685 3.613 1.00 73.22 A ATOM 386 HG1 THR 26 -14.644 -13.980 4.475 1.00 24.53 A ATOM 387 CG2 THR 26 -13.845 -15.584 2.604 1.00 11.53 A ATOM 388 HG21 THR 26 -13.739 -15.928 1.587 1.00 14.31 A ATOM 389 HG22 THR 26 -14.720 -16.034 3.049 1.00 42.43 A ATOM 390 HG23 THR 26 -12.970 -15.864 3.171 1.00 11.51 A ATOM 391 C THR 26 -12.569 -12.084 2.107 1.00 20.24 A ATOM 392 O THR 26 -12.473 -11.003 2.689 1.00 21.35 A ATOM 393 N ILE 27 -12.618 -12.192 0.784 1.00 42.10 A ATOM 394 HN ILE 27 -12.694 -13.081 0.379 1.00 14.32 A ATOM 395 CA ILE 27 -12.563 -11.019 -0.080 1.00 72.30 A ATOM 396 HA ILE 27 -11.740 -10.401 0.250 1.00 1.03 A ATOM 397 CB ILE 27 -12.315 -11.413 -1.548 1.00 44.01 A ATOM 398 HB ILE 27 -13.088 -12.104 -1.848 1.00 44.31 A ATOM 399 CG1 ILE 27 -10.952 -12.093 -1.694 1.00 22.54 A ATOM 400 HG11 ILE 27 -10.903 -12.934 -1.016 1.00 32.25 A ATOM 401 HG12 ILE 27 -10.176 -11.389 -1.439 1.00 43.21 A ATOM 402 CG2 ILE 27 -12.399 -10.188 -2.447 1.00 70.15 A ATOM 403 HG21 ILE 27 -13.287 -10.251 -3.058 1.00 61.03 A ATOM 404 HG22 ILE 27 -12.444 -9.298 -1.838 1.00 52.13 A ATOM 405 HG23 ILE 27 -11.527 -10.146 -3.081 1.00 43.21 A ATOM 406 CD1 ILE 27 -10.676 -12.604 -3.090 1.00 23.45 A ATOM 407 HD11 ILE 27 -9.679 -12.317 -3.389 1.00 4.33 A ATOM 408 HD12 ILE 27 -10.761 -13.680 -3.104 1.00 75.41 A ATOM 409 HD13 ILE 27 -11.394 -12.178 -3.776 1.00 73.42 A ATOM 410 C ILE 27 -13.853 -10.211 0.005 1.00 35.24 A ATOM 411 O ILE 27 -13.827 -9.011 0.274 1.00 50.55 A ATOM 412 N GLU 28 -14.979 -10.879 -0.221 1.00 71.11 A ATOM 413 HN GLU 28 -14.935 -11.835 -0.431 1.00 74.51 A ATOM 414 CA GLU 28 -16.281 -10.222 -0.168 1.00 21.32 A ATOM 415 HA GLU 28 -16.269 -9.406 -0.873 1.00 51.55 A ATOM 416 CB GLU 28 -17.388 -11.202 -0.560 1.00 74.34 A ATOM 417 HB1 GLU 28 -18.328 -10.670 -0.593 1.00 63.31 A ATOM 418 HB2 GLU 28 -17.450 -11.977 0.190 1.00 50.21 A ATOM 419 CG GLU 28 -17.166 -11.862 -1.912 1.00 41.22 A ATOM 420 HG1 GLU 28 -16.455 -12.665 -1.793 1.00 23.22 A ATOM 421 HG2 GLU 28 -16.769 -11.127 -2.596 1.00 63.41 A ATOM 422 CD GLU 28 -18.444 -12.429 -2.500 1.00 51.30 A ATOM 423 OE1 GLU 28 -19.504 -11.786 -2.349 1.00 70.21 A ATOM 424 OE2 GLU 28 -18.383 -13.516 -3.113 1.00 41.44 A ATOM 425 C GLU 28 -16.551 -9.664 1.226 1.00 4.33 A ATOM 426 O GLU 28 -17.196 -8.626 1.376 1.00 13.04 A ATOM 427 N SER 29 -16.053 -10.360 2.242 1.00 34.43 A ATOM 428 HN SER 29 -15.548 -11.180 2.059 1.00 10.12 A ATOM 429 CA SER 29 -16.245 -9.937 3.626 1.00 62.44 A ATOM 430 HA SER 29 -17.300 -9.760 3.774 1.00 35.41 A ATOM 431 CB SER 29 -15.784 -11.035 4.585 1.00 71.43 A ATOM 432 HB1 SER 29 -15.614 -10.607 5.562 1.00 44.01 A ATOM 433 HB2 SER 29 -14.867 -11.469 4.218 1.00 23.21 A ATOM 434 OG SER 29 -16.758 -12.057 4.699 1.00 73.33 A ATOM 435 HG SER 29 -17.547 -11.704 5.119 1.00 5.24 A ATOM 436 C SER 29 -15.484 -8.646 3.909 1.00 50.42 A ATOM 437 O SER 29 -15.944 -7.795 4.671 1.00 42.13 A ATOM 438 N VAL 30 -14.316 -8.506 3.289 1.00 32.12 A ATOM 439 HN VAL 30 -14.004 -9.219 2.694 1.00 41.40 A ATOM 440 CA VAL 30 -13.492 -7.318 3.473 1.00 64.44 A ATOM 441 HA VAL 30 -13.609 -6.985 4.492 1.00 3.35 A ATOM 442 CB VAL 30 -12.002 -7.628 3.232 1.00 40.10 A ATOM 443 HB VAL 30 -11.889 -7.993 2.223 1.00 41.34 A ATOM 444 CG1 VAL 30 -11.164 -6.367 3.380 1.00 51.00 A ATOM 445 HG11 VAL 30 -11.489 -5.633 2.657 1.00 12.13 A ATOM 446 HG12 VAL 30 -11.283 -5.970 4.377 1.00 10.53 A ATOM 447 HG13 VAL 30 -10.124 -6.604 3.207 1.00 13.02 A ATOM 448 CG2 VAL 30 -11.522 -8.711 4.188 1.00 1.30 A ATOM 449 HG21 VAL 30 -10.670 -9.216 3.760 1.00 42.52 A ATOM 450 HG22 VAL 30 -11.240 -8.262 5.129 1.00 10.23 A ATOM 451 HG23 VAL 30 -12.318 -9.423 4.354 1.00 44.43 A ATOM 452 C VAL 30 -13.923 -6.198 2.533 1.00 32.14 A ATOM 453 O VAL 30 -13.700 -5.020 2.811 1.00 22.35 A ATOM 454 N ALA 31 -14.545 -6.574 1.420 1.00 51.50 A ATOM 455 HN ALA 31 -14.694 -7.528 1.254 1.00 11.43 A ATOM 456 CA ALA 31 -15.011 -5.600 0.440 1.00 23.33 A ATOM 457 HA ALA 31 -14.290 -4.798 0.396 1.00 4.42 A ATOM 458 CB ALA 31 -15.092 -6.237 -0.939 1.00 62.31 A ATOM 459 HB1 ALA 31 -16.062 -6.037 -1.370 1.00 61.35 A ATOM 460 HB2 ALA 31 -14.324 -5.822 -1.573 1.00 2.10 A ATOM 461 HB3 ALA 31 -14.950 -7.304 -0.852 1.00 24.05 A ATOM 462 C ALA 31 -16.365 -5.025 0.840 1.00 73.21 A ATOM 463 O ALA 31 -16.712 -3.906 0.460 1.00 34.10 A ATOM 464 N ASP 32 -17.129 -5.797 1.606 1.00 23.32 A ATOM 465 HN ASP 32 -16.797 -6.680 1.875 1.00 12.25 A ATOM 466 CA ASP 32 -18.446 -5.364 2.058 1.00 60.14 A ATOM 467 HA ASP 32 -18.876 -4.747 1.283 1.00 64.20 A ATOM 468 CB ASP 32 -19.352 -6.574 2.289 1.00 5.03 A ATOM 469 HB1 ASP 32 -19.200 -6.943 3.293 1.00 14.40 A ATOM 470 HB2 ASP 32 -19.095 -7.349 1.582 1.00 31.44 A ATOM 471 CG ASP 32 -20.821 -6.238 2.117 1.00 30.31 A ATOM 472 OD1 ASP 32 -21.455 -6.800 1.200 1.00 13.02 A ATOM 473 OD2 ASP 32 -21.336 -5.415 2.902 1.00 13.33 A ATOM 474 C ASP 32 -18.337 -4.541 3.337 1.00 13.04 A ATOM 475 O ASP 32 -19.239 -3.772 3.670 1.00 10.53 A ATOM 476 N TYR 33 -17.230 -4.709 4.050 1.00 22.12 A ATOM 477 HN TYR 33 -16.547 -5.337 3.734 1.00 10.54 A ATOM 478 CA TYR 33 -17.007 -3.984 5.296 1.00 63.45 A ATOM 479 HA TYR 33 -17.962 -3.855 5.782 1.00 51.04 A ATOM 480 CB TYR 33 -16.087 -4.786 6.219 1.00 33.22 A ATOM 481 HB1 TYR 33 -15.205 -5.080 5.670 1.00 60.42 A ATOM 482 HB2 TYR 33 -16.607 -5.670 6.554 1.00 13.01 A ATOM 483 CG TYR 33 -15.639 -4.019 7.443 1.00 62.14 A ATOM 484 CD1 TYR 33 -14.313 -4.052 7.861 1.00 74.21 A ATOM 485 HD1 TYR 33 -13.601 -4.637 7.298 1.00 32.33 A ATOM 486 CD2 TYR 33 -16.540 -3.260 8.180 1.00 62.43 A ATOM 487 HD2 TYR 33 -17.572 -3.223 7.867 1.00 35.14 A ATOM 488 CE1 TYR 33 -13.900 -3.353 8.977 1.00 24.55 A ATOM 489 HE1 TYR 33 -12.867 -3.392 9.288 1.00 24.21 A ATOM 490 CE2 TYR 33 -16.135 -2.557 9.297 1.00 64.22 A ATOM 491 HE2 TYR 33 -16.849 -1.973 9.858 1.00 23.01 A ATOM 492 CZ TYR 33 -14.813 -2.607 9.693 1.00 32.43 A ATOM 493 OH TYR 33 -14.406 -1.909 10.806 1.00 3.23 A ATOM 494 HH TYR 33 -14.072 -2.523 11.465 1.00 43.00 A ATOM 495 C TYR 33 -16.401 -2.610 5.026 1.00 64.31 A ATOM 496 O TYR 33 -16.758 -1.624 5.671 1.00 53.03 A ATOM 497 N PHE 34 -15.484 -2.554 4.066 1.00 43.23 A ATOM 498 HN PHE 34 -15.240 -3.374 3.588 1.00 34.51 A ATOM 499 CA PHE 34 -14.827 -1.302 3.709 1.00 14.43 A ATOM 500 HA PHE 34 -14.691 -0.730 4.614 1.00 2.02 A ATOM 501 CB PHE 34 -13.458 -1.579 3.082 1.00 0.25 A ATOM 502 HB1 PHE 34 -13.112 -0.687 2.584 1.00 12.45 A ATOM 503 HB2 PHE 34 -13.556 -2.376 2.362 1.00 40.44 A ATOM 504 CG PHE 34 -12.414 -1.987 4.082 1.00 55.04 A ATOM 505 CD1 PHE 34 -12.569 -3.140 4.835 1.00 51.35 A ATOM 506 HD1 PHE 34 -13.452 -3.747 4.699 1.00 64.21 A ATOM 507 CD2 PHE 34 -11.277 -1.218 4.269 1.00 62.34 A ATOM 508 HD2 PHE 34 -11.144 -0.317 3.686 1.00 12.15 A ATOM 509 CE1 PHE 34 -11.611 -3.517 5.755 1.00 2.01 A ATOM 510 HE1 PHE 34 -11.743 -4.418 6.336 1.00 14.14 A ATOM 511 CE2 PHE 34 -10.313 -1.591 5.188 1.00 42.25 A ATOM 512 HE2 PHE 34 -9.432 -0.983 5.322 1.00 44.31 A ATOM 513 CZ PHE 34 -10.481 -2.742 5.931 1.00 23.35 A ATOM 514 HZ PHE 34 -9.729 -3.035 6.650 1.00 10.23 A ATOM 515 C PHE 34 -15.687 -0.494 2.742 1.00 54.32 A ATOM 516 O PHE 34 -15.382 0.659 2.434 1.00 31.11 A ATOM 517 N LYS 35 -16.764 -1.107 2.264 1.00 64.15 A ATOM 518 HN LYS 35 -16.955 -2.027 2.545 1.00 14.24 A ATOM 519 CA LYS 35 -17.671 -0.447 1.331 1.00 21.13 A ATOM 520 HA LYS 35 -17.105 -0.183 0.450 1.00 30.11 A ATOM 521 CB LYS 35 -18.803 -1.395 0.931 1.00 63.35 A ATOM 522 HB1 LYS 35 -18.398 -2.391 0.815 1.00 55.42 A ATOM 523 HB2 LYS 35 -19.212 -1.069 -0.013 1.00 72.53 A ATOM 524 CG LYS 35 -19.932 -1.455 1.946 1.00 61.44 A ATOM 525 HG1 LYS 35 -20.465 -0.515 1.934 1.00 42.44 A ATOM 526 HG2 LYS 35 -19.514 -1.623 2.927 1.00 2.11 A ATOM 527 CD LYS 35 -20.907 -2.577 1.629 1.00 64.21 A ATOM 528 HD1 LYS 35 -21.358 -2.920 2.549 1.00 34.31 A ATOM 529 HD2 LYS 35 -20.368 -3.390 1.165 1.00 31.55 A ATOM 530 CE LYS 35 -22.004 -2.112 0.683 1.00 71.31 A ATOM 531 HE1 LYS 35 -22.359 -2.963 0.120 1.00 44.43 A ATOM 532 HE2 LYS 35 -21.590 -1.380 0.005 1.00 32.03 A ATOM 533 NZ LYS 35 -23.148 -1.504 1.415 1.00 14.14 A ATOM 534 HZ1 LYS 35 -23.736 -2.249 1.841 1.00 73.14 A ATOM 535 HZ2 LYS 35 -23.733 -0.945 0.764 1.00 11.42 A ATOM 536 HZ3 LYS 35 -22.797 -0.881 2.171 1.00 33.21 A ATOM 537 C LYS 35 -18.249 0.824 1.943 1.00 11.34 A ATOM 538 O LYS 35 -18.618 1.755 1.228 1.00 2.31 A ATOM 539 N GLN 36 -18.325 0.856 3.270 1.00 33.20 A ATOM 540 HN GLN 36 -18.014 0.083 3.785 1.00 74.51 A ATOM 541 CA GLN 36 -18.858 2.014 3.976 1.00 0.00 A ATOM 542 HA GLN 36 -19.810 2.264 3.533 1.00 64.30 A ATOM 543 CB GLN 36 -19.072 1.682 5.455 1.00 1.20 A ATOM 544 HB1 GLN 36 -19.571 0.727 5.529 1.00 52.31 A ATOM 545 HB2 GLN 36 -19.699 2.442 5.896 1.00 53.53 A ATOM 546 CG GLN 36 -17.781 1.607 6.254 1.00 43.12 A ATOM 547 HG1 GLN 36 -17.376 2.603 6.353 1.00 44.42 A ATOM 548 HG2 GLN 36 -17.078 0.985 5.720 1.00 45.31 A ATOM 549 CD GLN 36 -17.983 1.026 7.639 1.00 15.22 A ATOM 550 OE1 GLN 36 -17.915 1.740 8.640 1.00 32.44 A ATOM 551 NE2 GLN 36 -18.237 -0.276 7.704 1.00 3.31 A ATOM 552 HE21 GLN 36 -18.276 -0.782 6.865 1.00 41.50 A ATOM 553 HE22 GLN 36 -18.373 -0.678 8.587 1.00 42.53 A ATOM 554 C GLN 36 -17.925 3.212 3.841 1.00 0.11 A ATOM 555 O GLN 36 -18.296 4.340 4.168 1.00 1.11 A ATOM 556 N ILE 37 -16.712 2.960 3.360 1.00 23.54 A ATOM 557 HN ILE 37 -16.476 2.040 3.119 1.00 53.14 A ATOM 558 CA ILE 37 -15.726 4.018 3.181 1.00 34.21 A ATOM 559 HA ILE 37 -15.955 4.808 3.882 1.00 1.40 A ATOM 560 CB ILE 37 -14.300 3.513 3.471 1.00 14.05 A ATOM 561 HB ILE 37 -14.141 2.606 2.908 1.00 13.22 A ATOM 562 CG1 ILE 37 -14.136 3.211 4.962 1.00 4.24 A ATOM 563 HG11 ILE 37 -13.162 2.772 5.128 1.00 51.35 A ATOM 564 HG12 ILE 37 -14.897 2.511 5.268 1.00 12.51 A ATOM 565 CG2 ILE 37 -13.272 4.539 3.016 1.00 21.43 A ATOM 566 HG21 ILE 37 -12.498 4.627 3.763 1.00 3.21 A ATOM 567 HG22 ILE 37 -12.836 4.220 2.082 1.00 73.32 A ATOM 568 HG23 ILE 37 -13.754 5.495 2.882 1.00 51.54 A ATOM 569 CD1 ILE 37 -14.249 4.436 5.843 1.00 22.20 A ATOM 570 HD11 ILE 37 -14.371 5.314 5.226 1.00 73.43 A ATOM 571 HD12 ILE 37 -15.103 4.332 6.496 1.00 53.34 A ATOM 572 HD13 ILE 37 -13.353 4.536 6.437 1.00 3.43 A ATOM 573 C ILE 37 -15.775 4.583 1.767 1.00 71.25 A ATOM 574 O ILE 37 -15.955 5.784 1.572 1.00 11.13 A ATOM 575 N GLY 38 -15.617 3.706 0.779 1.00 2.43 A ATOM 576 HN GLY 38 -15.476 2.760 0.994 1.00 45.32 A ATOM 577 CA GLY 38 -15.647 4.136 -0.606 1.00 54.14 A ATOM 578 HA1 GLY 38 -14.700 4.591 -0.852 1.00 10.42 A ATOM 579 HA2 GLY 38 -16.431 4.871 -0.726 1.00 64.34 A ATOM 580 C GLY 38 -15.902 2.988 -1.564 1.00 3.52 A ATOM 581 O GLY 38 -16.255 1.887 -1.143 1.00 64.15 A ATOM 582 N ILE 39 -15.722 3.246 -2.855 1.00 1.43 A ATOM 583 HN ILE 39 -15.438 4.144 -3.128 1.00 73.42 A ATOM 584 CA ILE 39 -15.934 2.226 -3.875 1.00 11.02 A ATOM 585 HA ILE 39 -16.737 1.585 -3.541 1.00 52.42 A ATOM 586 CB ILE 39 -16.339 2.852 -5.223 1.00 22.05 A ATOM 587 HB ILE 39 -15.513 3.447 -5.579 1.00 43.31 A ATOM 588 CG1 ILE 39 -17.563 3.751 -5.044 1.00 3.44 A ATOM 589 HG11 ILE 39 -17.346 4.498 -4.293 1.00 63.20 A ATOM 590 HG12 ILE 39 -18.398 3.152 -4.718 1.00 64.33 A ATOM 591 CG2 ILE 39 -16.617 1.764 -6.248 1.00 51.40 A ATOM 592 HG21 ILE 39 -17.620 1.881 -6.633 1.00 21.21 A ATOM 593 HG22 ILE 39 -15.911 1.846 -7.061 1.00 12.30 A ATOM 594 HG23 ILE 39 -16.520 0.795 -5.782 1.00 12.51 A ATOM 595 CD1 ILE 39 -17.974 4.470 -6.311 1.00 22.13 A ATOM 596 HD11 ILE 39 -18.794 3.941 -6.776 1.00 3.14 A ATOM 597 HD12 ILE 39 -18.284 5.476 -6.069 1.00 75.42 A ATOM 598 HD13 ILE 39 -17.136 4.505 -6.992 1.00 31.14 A ATOM 599 C ILE 39 -14.681 1.381 -4.075 1.00 21.35 A ATOM 600 O ILE 39 -13.582 1.911 -4.238 1.00 41.24 A ATOM 601 N ILE 40 -14.854 0.063 -4.062 1.00 54.42 A ATOM 602 HN ILE 40 -15.754 -0.299 -3.927 1.00 75.12 A ATOM 603 CA ILE 40 -13.737 -0.855 -4.247 1.00 22.40 A ATOM 604 HA ILE 40 -12.830 -0.334 -3.979 1.00 31.00 A ATOM 605 CB ILE 40 -13.871 -2.093 -3.340 1.00 1.10 A ATOM 606 HB ILE 40 -14.839 -2.536 -3.514 1.00 73.25 A ATOM 607 CG1 ILE 40 -13.764 -1.688 -1.867 1.00 41.34 A ATOM 608 HG11 ILE 40 -14.143 -0.682 -1.750 1.00 63.25 A ATOM 609 HG12 ILE 40 -12.729 -1.715 -1.567 1.00 74.22 A ATOM 610 CG2 ILE 40 -12.809 -3.124 -3.689 1.00 10.41 A ATOM 611 HG21 ILE 40 -12.345 -3.484 -2.782 1.00 74.35 A ATOM 612 HG22 ILE 40 -13.268 -3.950 -4.212 1.00 3.02 A ATOM 613 HG23 ILE 40 -12.060 -2.669 -4.320 1.00 74.31 A ATOM 614 CD1 ILE 40 -14.543 -2.589 -0.934 1.00 41.04 A ATOM 615 HD11 ILE 40 -15.542 -2.199 -0.806 1.00 3.32 A ATOM 616 HD12 ILE 40 -14.595 -3.583 -1.354 1.00 4.31 A ATOM 617 HD13 ILE 40 -14.046 -2.628 0.024 1.00 63.11 A ATOM 618 C ILE 40 -13.633 -1.312 -5.697 1.00 54.44 A ATOM 619 O ILE 40 -14.620 -1.744 -6.296 1.00 43.40 A ATOM 620 N LYS 41 -12.434 -1.214 -6.258 1.00 63.41 A ATOM 621 HN LYS 41 -11.687 -0.862 -5.730 1.00 4.04 A ATOM 622 CA LYS 41 -12.199 -1.620 -7.639 1.00 4.41 A ATOM 623 HA LYS 41 -12.723 -0.928 -8.282 1.00 64.43 A ATOM 624 CB LYS 41 -10.702 -1.564 -7.962 1.00 15.32 A ATOM 625 HB1 LYS 41 -10.466 -2.362 -8.649 1.00 63.20 A ATOM 626 HB2 LYS 41 -10.144 -1.709 -7.049 1.00 32.12 A ATOM 627 CG LYS 41 -10.264 -0.250 -8.585 1.00 33.33 A ATOM 628 HG1 LYS 41 -10.912 0.540 -8.232 1.00 65.53 A ATOM 629 HG2 LYS 41 -10.341 -0.329 -9.660 1.00 12.11 A ATOM 630 CD LYS 41 -8.829 0.089 -8.218 1.00 72.33 A ATOM 631 HD1 LYS 41 -8.658 -0.178 -7.186 1.00 21.40 A ATOM 632 HD2 LYS 41 -8.673 1.150 -8.348 1.00 35.51 A ATOM 633 CE LYS 41 -7.838 -0.662 -9.095 1.00 71.50 A ATOM 634 HE1 LYS 41 -8.153 -0.579 -10.125 1.00 22.32 A ATOM 635 HE2 LYS 41 -7.835 -1.701 -8.802 1.00 22.32 A ATOM 636 NZ LYS 41 -6.458 -0.118 -8.963 1.00 53.32 A ATOM 637 HZ1 LYS 41 -5.943 -0.626 -8.216 1.00 13.32 A ATOM 638 HZ2 LYS 41 -6.495 0.892 -8.718 1.00 43.21 A ATOM 639 HZ3 LYS 41 -5.944 -0.228 -9.860 1.00 41.42 A ATOM 640 C LYS 41 -12.731 -3.026 -7.892 1.00 74.43 A ATOM 641 O LYS 41 -13.086 -3.745 -6.956 1.00 40.10 A ATOM 642 N THR 42 -12.784 -3.415 -9.162 1.00 34.35 A ATOM 643 HN THR 42 -12.487 -2.798 -9.863 1.00 43.31 A ATOM 644 CA THR 42 -13.272 -4.736 -9.537 1.00 14.13 A ATOM 645 HA THR 42 -12.830 -5.459 -8.867 1.00 41.51 A ATOM 646 CB THR 42 -14.804 -4.827 -9.401 1.00 71.30 A ATOM 647 HB THR 42 -15.243 -3.941 -9.838 1.00 34.41 A ATOM 648 OG1 THR 42 -15.171 -4.896 -8.018 1.00 71.34 A ATOM 649 HG1 THR 42 -15.647 -4.100 -7.773 1.00 51.43 A ATOM 650 CG2 THR 42 -15.341 -6.047 -10.134 1.00 75.43 A ATOM 651 HG21 THR 42 -14.557 -6.783 -10.232 1.00 4.22 A ATOM 652 HG22 THR 42 -15.685 -5.755 -11.116 1.00 74.24 A ATOM 653 HG23 THR 42 -16.163 -6.470 -9.576 1.00 21.12 A ATOM 654 C THR 42 -12.880 -5.082 -10.968 1.00 40.33 A ATOM 655 O THR 42 -13.057 -4.277 -11.883 1.00 73.30 A ATOM 656 N ASN 43 -12.345 -6.284 -11.157 1.00 44.03 A ATOM 657 HN ASN 43 -12.229 -6.881 -10.389 1.00 74.31 A ATOM 658 CA ASN 43 -11.926 -6.736 -12.479 1.00 70.12 A ATOM 659 HA ASN 43 -11.336 -5.951 -12.925 1.00 70.01 A ATOM 660 CB ASN 43 -11.069 -7.998 -12.361 1.00 33.33 A ATOM 661 HB1 ASN 43 -11.714 -8.864 -12.337 1.00 14.43 A ATOM 662 HB2 ASN 43 -10.498 -7.954 -11.445 1.00 53.12 A ATOM 663 CG ASN 43 -10.104 -8.152 -13.520 1.00 51.03 A ATOM 664 OD1 ASN 43 -9.583 -7.167 -14.043 1.00 40.23 A ATOM 665 ND2 ASN 43 -9.862 -9.392 -13.928 1.00 23.43 A ATOM 666 HD21 ASN 43 -10.313 -10.129 -13.465 1.00 42.21 A ATOM 667 HD22 ASN 43 -9.242 -9.521 -14.675 1.00 51.42 A ATOM 668 C ASN 43 -13.136 -7.010 -13.369 1.00 10.44 A ATOM 669 O ASN 43 -14.280 -6.938 -12.919 1.00 32.44 A ATOM 670 N LYS 44 -12.874 -7.324 -14.633 1.00 5.41 A ATOM 671 HN LYS 44 -11.941 -7.364 -14.931 1.00 34.51 A ATOM 672 CA LYS 44 -13.940 -7.610 -15.587 1.00 25.13 A ATOM 673 HA LYS 44 -14.883 -7.414 -15.099 1.00 3.42 A ATOM 674 CB LYS 44 -13.813 -6.702 -16.811 1.00 63.42 A ATOM 675 HB1 LYS 44 -14.585 -6.965 -17.520 1.00 41.20 A ATOM 676 HB2 LYS 44 -12.847 -6.866 -17.267 1.00 13.10 A ATOM 677 CG LYS 44 -13.944 -5.224 -16.489 1.00 40.21 A ATOM 678 HG1 LYS 44 -14.600 -5.107 -15.639 1.00 74.04 A ATOM 679 HG2 LYS 44 -14.365 -4.714 -17.343 1.00 61.52 A ATOM 680 CD LYS 44 -12.595 -4.603 -16.162 1.00 15.34 A ATOM 681 HD1 LYS 44 -11.827 -5.116 -16.721 1.00 65.34 A ATOM 682 HD2 LYS 44 -12.406 -4.711 -15.104 1.00 71.00 A ATOM 683 CE LYS 44 -12.563 -3.124 -16.517 1.00 71.23 A ATOM 684 HE1 LYS 44 -13.505 -2.678 -16.233 1.00 43.15 A ATOM 685 HE2 LYS 44 -12.426 -3.027 -17.584 1.00 42.23 A ATOM 686 NZ LYS 44 -11.458 -2.411 -15.819 1.00 52.50 A ATOM 687 HZ1 LYS 44 -11.351 -1.451 -16.207 1.00 73.52 A ATOM 688 HZ2 LYS 44 -10.563 -2.925 -15.947 1.00 63.24 A ATOM 689 HZ3 LYS 44 -11.664 -2.341 -14.802 1.00 51.32 A ATOM 690 C LYS 44 -13.903 -9.073 -16.017 1.00 53.34 A ATOM 691 O LYS 44 -14.920 -9.634 -16.430 1.00 21.24 A ATOM 692 N LYS 45 -12.729 -9.685 -15.921 1.00 73.42 A ATOM 693 HN LYS 45 -11.955 -9.185 -15.585 1.00 44.51 A ATOM 694 CA LYS 45 -12.560 -11.084 -16.299 1.00 14.43 A ATOM 695 HA LYS 45 -12.947 -11.206 -17.299 1.00 51.00 A ATOM 696 CB LYS 45 -11.077 -11.462 -16.287 1.00 55.30 A ATOM 697 HB1 LYS 45 -10.801 -11.758 -15.285 1.00 51.42 A ATOM 698 HB2 LYS 45 -10.496 -10.597 -16.572 1.00 2.01 A ATOM 699 CG LYS 45 -10.734 -12.600 -17.232 1.00 51.42 A ATOM 700 HG1 LYS 45 -11.348 -12.519 -18.117 1.00 74.11 A ATOM 701 HG2 LYS 45 -10.932 -13.539 -16.738 1.00 3.01 A ATOM 702 CD LYS 45 -9.272 -12.560 -17.643 1.00 24.32 A ATOM 703 HD1 LYS 45 -9.011 -13.501 -18.107 1.00 62.05 A ATOM 704 HD2 LYS 45 -8.662 -12.412 -16.764 1.00 53.50 A ATOM 705 CE LYS 45 -8.999 -11.431 -18.625 1.00 24.50 A ATOM 706 HE1 LYS 45 -9.257 -10.494 -18.156 1.00 13.40 A ATOM 707 HE2 LYS 45 -9.612 -11.577 -19.500 1.00 63.24 A ATOM 708 NZ LYS 45 -7.568 -11.389 -19.039 1.00 34.04 A ATOM 709 HZ1 LYS 45 -7.458 -10.797 -19.887 1.00 31.11 A ATOM 710 HZ2 LYS 45 -7.229 -12.348 -19.253 1.00 21.45 A ATOM 711 HZ3 LYS 45 -6.987 -10.991 -18.274 1.00 12.13 A ATOM 712 C LYS 45 -13.336 -11.999 -15.355 1.00 41.43 A ATOM 713 O LYS 45 -13.835 -13.049 -15.762 1.00 51.34 A ATOM 714 N THR 46 -13.437 -11.593 -14.093 1.00 40.01 A ATOM 715 HN THR 46 -13.019 -10.747 -13.831 1.00 4.04 A ATOM 716 CA THR 46 -14.152 -12.376 -13.093 1.00 51.22 A ATOM 717 HA THR 46 -14.525 -13.269 -13.573 1.00 43.43 A ATOM 718 CB THR 46 -13.222 -12.800 -11.942 1.00 2.41 A ATOM 719 HB THR 46 -13.807 -13.327 -11.203 1.00 31.54 A ATOM 720 OG1 THR 46 -12.636 -11.643 -11.334 1.00 2.33 A ATOM 721 HG1 THR 46 -11.868 -11.368 -11.843 1.00 51.24 A ATOM 722 CG2 THR 46 -12.124 -13.725 -12.444 1.00 25.42 A ATOM 723 HG21 THR 46 -11.444 -13.950 -11.636 1.00 13.04 A ATOM 724 HG22 THR 46 -11.585 -13.242 -13.245 1.00 32.31 A ATOM 725 HG23 THR 46 -12.566 -14.641 -12.808 1.00 65.15 A ATOM 726 C THR 46 -15.327 -11.593 -12.520 1.00 71.32 A ATOM 727 O THR 46 -16.355 -12.169 -12.165 1.00 21.45 A ATOM 728 N GLY 47 -15.171 -10.276 -12.436 1.00 53.42 A ATOM 729 HN GLY 47 -14.330 -9.871 -12.735 1.00 14.21 A ATOM 730 CA GLY 47 -16.229 -9.435 -11.905 1.00 31.40 A ATOM 731 HA1 GLY 47 -17.182 -9.863 -12.177 1.00 30.25 A ATOM 732 HA2 GLY 47 -16.148 -8.453 -12.346 1.00 53.23 A ATOM 733 C GLY 47 -16.163 -9.304 -10.396 1.00 70.23 A ATOM 734 O GLY 47 -17.114 -8.843 -9.767 1.00 72.11 A ATOM 735 N GLN 48 -15.040 -9.712 -9.817 1.00 42.03 A ATOM 736 HN GLN 48 -14.318 -10.070 -10.373 1.00 24.15 A ATOM 737 CA GLN 48 -14.856 -9.640 -8.372 1.00 13.54 A ATOM 738 HA GLN 48 -15.827 -9.500 -7.921 1.00 12.21 A ATOM 739 CB GLN 48 -14.248 -10.942 -7.848 1.00 1.54 A ATOM 740 HB1 GLN 48 -13.761 -10.743 -6.904 1.00 35.31 A ATOM 741 HB2 GLN 48 -13.511 -11.292 -8.556 1.00 52.11 A ATOM 742 CG GLN 48 -15.269 -12.047 -7.634 1.00 22.42 A ATOM 743 HG1 GLN 48 -14.766 -13.001 -7.697 1.00 43.12 A ATOM 744 HG2 GLN 48 -16.017 -11.984 -8.410 1.00 31.11 A ATOM 745 CD GLN 48 -15.958 -11.952 -6.288 1.00 15.43 A ATOM 746 OE1 GLN 48 -15.505 -12.533 -5.302 1.00 1.05 A ATOM 747 NE2 GLN 48 -17.062 -11.215 -6.239 1.00 75.35 A ATOM 748 HE21 GLN 48 -17.367 -10.782 -7.066 1.00 63.03 A ATOM 749 HE22 GLN 48 -17.529 -11.137 -5.383 1.00 15.24 A ATOM 750 C GLN 48 -13.966 -8.460 -7.994 1.00 62.34 A ATOM 751 O GLN 48 -13.197 -7.947 -8.808 1.00 43.23 A ATOM 752 N PRO 49 -14.071 -8.019 -6.732 1.00 65.01 A ATOM 753 CA PRO 49 -13.281 -6.895 -6.218 1.00 62.24 A ATOM 754 HA PRO 49 -13.388 -6.019 -6.841 1.00 13.45 A ATOM 755 CB PRO 49 -13.900 -6.627 -4.845 1.00 54.42 A ATOM 756 HB1 PRO 49 -14.650 -5.855 -4.928 1.00 4.23 A ATOM 757 HB2 PRO 49 -13.129 -6.314 -4.154 1.00 70.23 A ATOM 758 CG PRO 49 -14.501 -7.928 -4.439 1.00 71.03 A ATOM 759 HG1 PRO 49 -15.338 -7.755 -3.779 1.00 30.52 A ATOM 760 HG2 PRO 49 -13.757 -8.540 -3.951 1.00 52.13 A ATOM 761 CD PRO 49 -14.967 -8.584 -5.709 1.00 5.40 A ATOM 762 HD1 PRO 49 -15.995 -8.324 -5.913 1.00 30.13 A ATOM 763 HD2 PRO 49 -14.851 -9.655 -5.645 1.00 24.53 A ATOM 764 C PRO 49 -11.803 -7.241 -6.079 1.00 12.44 A ATOM 765 O PRO 49 -11.450 -8.347 -5.674 1.00 24.55 A ATOM 766 N MET 50 -10.943 -6.286 -6.418 1.00 63.13 A ATOM 767 HN MET 50 -11.284 -5.424 -6.735 1.00 52.24 A ATOM 768 CA MET 50 -9.502 -6.490 -6.328 1.00 5.05 A ATOM 769 HA MET 50 -9.272 -7.439 -6.790 1.00 50.41 A ATOM 770 CB MET 50 -8.760 -5.381 -7.076 1.00 53.51 A ATOM 771 HB1 MET 50 -7.742 -5.339 -6.720 1.00 32.02 A ATOM 772 HB2 MET 50 -9.245 -4.438 -6.870 1.00 4.21 A ATOM 773 CG MET 50 -8.728 -5.580 -8.584 1.00 32.44 A ATOM 774 HG1 MET 50 -9.694 -5.318 -8.988 1.00 24.11 A ATOM 775 HG2 MET 50 -8.524 -6.620 -8.791 1.00 23.15 A ATOM 776 SD MET 50 -7.470 -4.573 -9.390 1.00 42.23 A ATOM 777 CE MET 50 -8.479 -3.598 -10.503 1.00 64.01 A ATOM 778 HE1 MET 50 -7.847 -3.114 -11.233 1.00 33.41 A ATOM 779 HE2 MET 50 -9.184 -4.243 -11.008 1.00 1.35 A ATOM 780 HE3 MET 50 -9.016 -2.849 -9.939 1.00 32.02 A ATOM 781 C MET 50 -9.048 -6.528 -4.872 1.00 25.32 A ATOM 782 O MET 50 -8.915 -5.488 -4.226 1.00 32.31 A ATOM 783 N ILE 51 -8.810 -7.732 -4.363 1.00 31.31 A ATOM 784 HN ILE 51 -8.934 -8.523 -4.927 1.00 35.34 A ATOM 785 CA ILE 51 -8.371 -7.904 -2.983 1.00 34.41 A ATOM 786 HA ILE 51 -7.816 -7.022 -2.698 1.00 25.13 A ATOM 787 CB ILE 51 -9.568 -8.055 -2.026 1.00 61.31 A ATOM 788 HB ILE 51 -10.132 -8.925 -2.325 1.00 32.30 A ATOM 789 CG1 ILE 51 -10.470 -6.822 -2.104 1.00 25.34 A ATOM 790 HG11 ILE 51 -10.819 -6.705 -3.119 1.00 64.14 A ATOM 791 HG12 ILE 51 -9.903 -5.950 -1.820 1.00 53.10 A ATOM 792 CG2 ILE 51 -9.082 -8.273 -0.601 1.00 44.41 A ATOM 793 HG21 ILE 51 -9.487 -7.503 0.040 1.00 44.52 A ATOM 794 HG22 ILE 51 -9.412 -9.240 -0.252 1.00 44.42 A ATOM 795 HG23 ILE 51 -8.002 -8.230 -0.577 1.00 12.31 A ATOM 796 CD1 ILE 51 -11.682 -6.902 -1.201 1.00 41.22 A ATOM 797 HD11 ILE 51 -11.667 -6.077 -0.505 1.00 23.22 A ATOM 798 HD12 ILE 51 -12.580 -6.853 -1.798 1.00 70.51 A ATOM 799 HD13 ILE 51 -11.662 -7.834 -0.655 1.00 21.12 A ATOM 800 C ILE 51 -7.466 -9.123 -2.843 1.00 24.22 A ATOM 801 O ILE 51 -7.809 -10.218 -3.285 1.00 33.50 A ATOM 802 N ASN 52 -6.306 -8.924 -2.223 1.00 30.44 A ATOM 803 HN ASN 52 -6.088 -8.028 -1.893 1.00 30.01 A ATOM 804 CA ASN 52 -5.351 -10.008 -2.023 1.00 15.25 A ATOM 805 HA ASN 52 -5.665 -10.842 -2.631 1.00 63.54 A ATOM 806 CB ASN 52 -3.953 -9.569 -2.462 1.00 24.53 A ATOM 807 HB1 ASN 52 -3.306 -10.433 -2.497 1.00 44.14 A ATOM 808 HB2 ASN 52 -3.562 -8.862 -1.745 1.00 2.43 A ATOM 809 CG ASN 52 -3.954 -8.913 -3.828 1.00 32.31 A ATOM 810 OD1 ASN 52 -3.768 -7.702 -3.948 1.00 21.33 A ATOM 811 ND2 ASN 52 -4.165 -9.712 -4.867 1.00 74.33 A ATOM 812 HD21 ASN 52 -4.306 -10.667 -4.697 1.00 75.24 A ATOM 813 HD22 ASN 52 -4.171 -9.314 -5.764 1.00 21.52 A ATOM 814 C ASN 52 -5.325 -10.447 -0.562 1.00 3.34 A ATOM 815 O ASN 52 -5.085 -9.638 0.337 1.00 72.53 A ATOM 816 N LEU 53 -5.571 -11.731 -0.332 1.00 34.40 A ATOM 817 HN LEU 53 -5.755 -12.327 -1.088 1.00 14.41 A ATOM 818 CA LEU 53 -5.575 -12.279 1.021 1.00 31.21 A ATOM 819 HA LEU 53 -5.661 -11.454 1.712 1.00 24.15 A ATOM 820 CB LEU 53 -6.771 -13.214 1.210 1.00 23.35 A ATOM 821 HB1 LEU 53 -6.758 -13.563 2.234 1.00 53.44 A ATOM 822 HB2 LEU 53 -6.642 -14.054 0.545 1.00 31.11 A ATOM 823 CG LEU 53 -8.147 -12.607 0.938 1.00 74.44 A ATOM 824 HG LEU 53 -8.204 -12.313 -0.101 1.00 54.43 A ATOM 825 CD1 LEU 53 -9.242 -13.631 1.194 1.00 15.31 A ATOM 826 HD11 LEU 53 -9.229 -14.376 0.414 1.00 5.13 A ATOM 827 HD12 LEU 53 -10.202 -13.136 1.205 1.00 54.12 A ATOM 828 HD13 LEU 53 -9.072 -14.106 2.149 1.00 14.04 A ATOM 829 CD2 LEU 53 -8.362 -11.367 1.793 1.00 53.14 A ATOM 830 HD21 LEU 53 -7.758 -11.437 2.686 1.00 73.22 A ATOM 831 HD22 LEU 53 -9.405 -11.295 2.066 1.00 21.20 A ATOM 832 HD23 LEU 53 -8.075 -10.490 1.232 1.00 4.43 A ATOM 833 C LEU 53 -4.277 -13.029 1.308 1.00 11.25 A ATOM 834 O LEU 53 -3.946 -13.999 0.627 1.00 1.00 A ATOM 835 N TYR 54 -3.550 -12.574 2.322 1.00 34.14 A ATOM 836 HN TYR 54 -3.867 -11.797 2.828 1.00 5.02 A ATOM 837 CA TYR 54 -2.290 -13.201 2.700 1.00 24.42 A ATOM 838 HA TYR 54 -1.726 -13.385 1.796 1.00 44.22 A ATOM 839 CB TYR 54 -1.482 -12.269 3.606 1.00 34.44 A ATOM 840 HB1 TYR 54 -0.745 -12.849 4.142 1.00 54.24 A ATOM 841 HB2 TYR 54 -2.149 -11.802 4.315 1.00 62.12 A ATOM 842 CG TYR 54 -0.760 -11.173 2.857 1.00 20.23 A ATOM 843 CD1 TYR 54 0.624 -11.060 2.918 1.00 73.35 A ATOM 844 HD1 TYR 54 1.183 -11.770 3.510 1.00 10.33 A ATOM 845 CD2 TYR 54 -1.460 -10.250 2.090 1.00 3.15 A ATOM 846 HD2 TYR 54 -2.536 -10.324 2.034 1.00 52.33 A ATOM 847 CE1 TYR 54 1.289 -10.060 2.235 1.00 1.05 A ATOM 848 HE1 TYR 54 2.365 -9.988 2.293 1.00 22.42 A ATOM 849 CE2 TYR 54 -0.803 -9.247 1.404 1.00 24.30 A ATOM 850 HE2 TYR 54 -1.364 -8.539 0.812 1.00 72.24 A ATOM 851 CZ TYR 54 0.572 -9.156 1.479 1.00 74.32 A ATOM 852 OH TYR 54 1.230 -8.158 0.799 1.00 72.15 A ATOM 853 HH TYR 54 0.588 -7.582 0.376 1.00 30.40 A ATOM 854 C TYR 54 -2.533 -14.531 3.407 1.00 31.22 A ATOM 855 O TYR 54 -3.340 -14.618 4.334 1.00 44.30 A ATOM 856 N THR 55 -1.829 -15.568 2.963 1.00 1.22 A ATOM 857 HN THR 55 -1.202 -15.436 2.222 1.00 51.24 A ATOM 858 CA THR 55 -1.966 -16.894 3.550 1.00 33.13 A ATOM 859 HA THR 55 -2.500 -16.791 4.485 1.00 12.34 A ATOM 860 CB THR 55 -2.774 -17.833 2.635 1.00 35.34 A ATOM 861 HB THR 55 -2.091 -18.326 1.959 1.00 71.24 A ATOM 862 OG1 THR 55 -3.723 -17.078 1.873 1.00 32.44 A ATOM 863 HG1 THR 55 -4.014 -16.320 2.386 1.00 51.15 A ATOM 864 CG2 THR 55 -3.500 -18.893 3.450 1.00 3.00 A ATOM 865 HG21 THR 55 -3.679 -19.762 2.835 1.00 51.52 A ATOM 866 HG22 THR 55 -4.442 -18.497 3.799 1.00 52.13 A ATOM 867 HG23 THR 55 -2.892 -19.173 4.298 1.00 11.43 A ATOM 868 C THR 55 -0.604 -17.519 3.825 1.00 12.31 A ATOM 869 O THR 55 0.371 -17.236 3.130 1.00 53.54 A ATOM 870 N ASP 56 -0.543 -18.370 4.844 1.00 11.43 A ATOM 871 HN ASP 56 -1.354 -18.555 5.362 1.00 2.41 A ATOM 872 CA ASP 56 0.701 -19.036 5.210 1.00 23.30 A ATOM 873 HA ASP 56 1.459 -18.278 5.335 1.00 1.01 A ATOM 874 CB ASP 56 0.531 -19.793 6.528 1.00 1.24 A ATOM 875 HB1 ASP 56 0.013 -20.721 6.339 1.00 73.11 A ATOM 876 HB2 ASP 56 -0.054 -19.191 7.209 1.00 42.34 A ATOM 877 CG ASP 56 1.858 -20.110 7.189 1.00 1.45 A ATOM 878 OD1 ASP 56 2.259 -21.293 7.179 1.00 52.33 A ATOM 879 OD2 ASP 56 2.496 -19.175 7.716 1.00 45.41 A ATOM 880 C ASP 56 1.146 -19.997 4.112 1.00 62.02 A ATOM 881 O ASP 56 0.381 -20.309 3.199 1.00 42.11 A ATOM 882 N ARG 57 2.388 -20.462 4.206 1.00 13.34 A ATOM 883 HN ARG 57 2.949 -20.176 4.957 1.00 24.41 A ATOM 884 CA ARG 57 2.935 -21.385 3.220 1.00 41.13 A ATOM 885 HA ARG 57 2.191 -21.528 2.450 1.00 3.13 A ATOM 886 CB ARG 57 4.199 -20.799 2.587 1.00 13.33 A ATOM 887 HB1 ARG 57 3.936 -19.894 2.061 1.00 42.35 A ATOM 888 HB2 ARG 57 4.599 -21.513 1.883 1.00 44.43 A ATOM 889 CG ARG 57 5.286 -20.465 3.596 1.00 52.33 A ATOM 890 HG1 ARG 57 5.639 -21.380 4.046 1.00 23.22 A ATOM 891 HG2 ARG 57 4.871 -19.822 4.359 1.00 63.24 A ATOM 892 CD ARG 57 6.457 -19.753 2.937 1.00 11.40 A ATOM 893 HD1 ARG 57 6.071 -18.995 2.271 1.00 65.43 A ATOM 894 HD2 ARG 57 7.027 -20.474 2.370 1.00 41.34 A ATOM 895 NE ARG 57 7.335 -19.120 3.918 1.00 55.31 A ATOM 896 HE ARG 57 7.034 -19.100 4.850 1.00 30.30 A ATOM 897 CZ ARG 57 8.508 -18.576 3.612 1.00 41.30 A ATOM 898 NH1 ARG 57 8.941 -18.587 2.359 1.00 41.11 A ATOM 899 HH11 ARG 57 8.383 -19.005 1.642 1.00 72.20 A ATOM 900 HH12 ARG 57 9.823 -18.175 2.130 1.00 71.40 A ATOM 901 NH2 ARG 57 9.249 -18.018 4.561 1.00 70.35 A ATOM 902 HH21 ARG 57 8.926 -18.008 5.505 1.00 13.23 A ATOM 903 HH22 ARG 57 10.131 -17.609 4.329 1.00 21.44 A ATOM 904 C ARG 57 3.251 -22.736 3.856 1.00 43.55 A ATOM 905 O ARG 57 3.245 -23.765 3.181 1.00 30.42 A ATOM 906 N GLU 58 3.528 -22.722 5.155 1.00 53.42 A ATOM 907 HN GLU 58 3.517 -21.869 5.638 1.00 12.31 A ATOM 908 CA GLU 58 3.848 -23.945 5.880 1.00 34.42 A ATOM 909 HA GLU 58 4.450 -24.566 5.235 1.00 34.21 A ATOM 910 CB GLU 58 4.647 -23.621 7.145 1.00 61.41 A ATOM 911 HB1 GLU 58 5.063 -24.538 7.538 1.00 50.44 A ATOM 912 HB2 GLU 58 3.980 -23.196 7.880 1.00 75.12 A ATOM 913 CG GLU 58 5.786 -22.643 6.911 1.00 71.14 A ATOM 914 HG1 GLU 58 5.374 -21.651 6.800 1.00 1.32 A ATOM 915 HG2 GLU 58 6.301 -22.921 6.003 1.00 0.42 A ATOM 916 CD GLU 58 6.787 -22.629 8.050 1.00 55.11 A ATOM 917 OE1 GLU 58 6.805 -21.638 8.809 1.00 60.00 A ATOM 918 OE2 GLU 58 7.551 -23.608 8.181 1.00 12.53 A ATOM 919 C GLU 58 2.578 -24.707 6.251 1.00 53.42 A ATOM 920 O GLU 58 2.462 -25.906 5.995 1.00 11.03 A ATOM 921 N THR 59 1.626 -24.001 6.854 1.00 50.21 A ATOM 922 HN THR 59 1.777 -23.049 7.029 1.00 3.35 A ATOM 923 CA THR 59 0.365 -24.608 7.261 1.00 63.54 A ATOM 924 HA THR 59 0.524 -25.673 7.356 1.00 55.04 A ATOM 925 CB THR 59 -0.106 -24.066 8.623 1.00 20.11 A ATOM 926 HB THR 59 -0.944 -24.660 8.959 1.00 14.51 A ATOM 927 OG1 THR 59 -0.522 -22.703 8.489 1.00 13.52 A ATOM 928 HG1 THR 59 0.232 -22.160 8.248 1.00 2.51 A ATOM 929 CG2 THR 59 1.005 -24.164 9.658 1.00 13.00 A ATOM 930 HG21 THR 59 1.809 -23.495 9.387 1.00 74.32 A ATOM 931 HG22 THR 59 1.375 -25.178 9.693 1.00 4.43 A ATOM 932 HG23 THR 59 0.618 -23.888 10.627 1.00 30.04 A ATOM 933 C THR 59 -0.724 -24.361 6.224 1.00 72.05 A ATOM 934 O THR 59 -1.623 -25.182 6.045 1.00 62.11 A ATOM 935 N GLY 60 -0.638 -23.223 5.540 1.00 63.32 A ATOM 936 HN GLY 60 0.101 -22.606 5.726 1.00 70.12 A ATOM 937 CA GLY 60 -1.623 -22.889 4.529 1.00 42.30 A ATOM 938 HA1 GLY 60 -1.952 -23.798 4.049 1.00 63.55 A ATOM 939 HA2 GLY 60 -1.162 -22.250 3.790 1.00 24.15 A ATOM 940 C GLY 60 -2.830 -22.178 5.107 1.00 41.22 A ATOM 941 O GLY 60 -3.895 -22.145 4.491 1.00 13.55 A ATOM 942 N LYS 61 -2.665 -21.608 6.296 1.00 73.21 A ATOM 943 HN LYS 61 -1.792 -21.669 6.739 1.00 40.32 A ATOM 944 CA LYS 61 -3.750 -20.895 6.961 1.00 43.53 A ATOM 945 HA LYS 61 -4.675 -21.176 6.481 1.00 22.42 A ATOM 946 CB LYS 61 -3.815 -21.285 8.439 1.00 73.11 A ATOM 947 HB1 LYS 61 -4.268 -20.475 8.992 1.00 70.40 A ATOM 948 HB2 LYS 61 -2.809 -21.441 8.803 1.00 53.24 A ATOM 949 CG LYS 61 -4.617 -22.548 8.698 1.00 20.03 A ATOM 950 HG1 LYS 61 -4.037 -23.404 8.386 1.00 50.22 A ATOM 951 HG2 LYS 61 -5.535 -22.505 8.130 1.00 24.10 A ATOM 952 CD LYS 61 -4.960 -22.697 10.171 1.00 21.10 A ATOM 953 HD1 LYS 61 -5.729 -23.450 10.279 1.00 23.35 A ATOM 954 HD2 LYS 61 -5.327 -21.752 10.544 1.00 21.12 A ATOM 955 CE LYS 61 -3.745 -23.110 10.988 1.00 4.33 A ATOM 956 HE1 LYS 61 -2.934 -22.432 10.768 1.00 23.30 A ATOM 957 HE2 LYS 61 -3.463 -24.113 10.707 1.00 53.35 A ATOM 958 NZ LYS 61 -4.022 -23.075 12.450 1.00 33.41 A ATOM 959 HZ1 LYS 61 -3.136 -23.189 12.985 1.00 63.33 A ATOM 960 HZ2 LYS 61 -4.671 -23.846 12.710 1.00 0.32 A ATOM 961 HZ3 LYS 61 -4.457 -22.168 12.712 1.00 54.44 A ATOM 962 C LYS 61 -3.568 -19.386 6.830 1.00 11.32 A ATOM 963 O LYS 61 -2.443 -18.889 6.767 1.00 2.34 A ATOM 964 N LEU 62 -4.681 -18.662 6.791 1.00 11.44 A ATOM 965 HN LEU 62 -5.548 -19.114 6.846 1.00 54.14 A ATOM 966 CA LEU 62 -4.645 -17.208 6.670 1.00 23.32 A ATOM 967 HA LEU 62 -4.188 -16.966 5.722 1.00 75.41 A ATOM 968 CB LEU 62 -6.064 -16.639 6.701 1.00 40.55 A ATOM 969 HB1 LEU 62 -6.013 -15.650 7.134 1.00 52.43 A ATOM 970 HB2 LEU 62 -6.663 -17.276 7.333 1.00 44.11 A ATOM 971 CG LEU 62 -6.770 -16.524 5.348 1.00 11.41 A ATOM 972 HG LEU 62 -6.681 -17.464 4.822 1.00 61.22 A ATOM 973 CD1 LEU 62 -8.249 -16.232 5.543 1.00 30.31 A ATOM 974 HD11 LEU 62 -8.546 -15.427 4.889 1.00 0.42 A ATOM 975 HD12 LEU 62 -8.429 -15.948 6.569 1.00 13.24 A ATOM 976 HD13 LEU 62 -8.824 -17.117 5.309 1.00 55.13 A ATOM 977 CD2 LEU 62 -6.119 -15.443 4.497 1.00 32.54 A ATOM 978 HD21 LEU 62 -5.796 -14.631 5.132 1.00 62.11 A ATOM 979 HD22 LEU 62 -6.834 -15.075 3.776 1.00 41.31 A ATOM 980 HD23 LEU 62 -5.266 -15.858 3.981 1.00 52.31 A ATOM 981 C LEU 62 -3.812 -16.589 7.788 1.00 31.44 A ATOM 982 O LEU 62 -3.974 -16.931 8.960 1.00 20.01 A ATOM 983 N LYS 63 -2.921 -15.675 7.419 1.00 35.01 A ATOM 984 HN LYS 63 -2.838 -15.445 6.469 1.00 2.24 A ATOM 985 CA LYS 63 -2.065 -15.004 8.390 1.00 30.51 A ATOM 986 HA LYS 63 -1.748 -15.738 9.116 1.00 14.04 A ATOM 987 CB LYS 63 -0.830 -14.426 7.697 1.00 5.51 A ATOM 988 HB1 LYS 63 -0.263 -13.852 8.416 1.00 32.31 A ATOM 989 HB2 LYS 63 -1.152 -13.770 6.902 1.00 42.24 A ATOM 990 CG LYS 63 0.086 -15.482 7.103 1.00 31.12 A ATOM 991 HG1 LYS 63 -0.516 -16.297 6.728 1.00 75.23 A ATOM 992 HG2 LYS 63 0.748 -15.847 7.874 1.00 33.05 A ATOM 993 CD LYS 63 0.921 -14.920 5.965 1.00 71.43 A ATOM 994 HD1 LYS 63 0.323 -14.214 5.405 1.00 3.32 A ATOM 995 HD2 LYS 63 1.222 -15.730 5.316 1.00 24.20 A ATOM 996 CE LYS 63 2.166 -14.216 6.482 1.00 53.35 A ATOM 997 HE1 LYS 63 1.865 -13.452 7.184 1.00 45.24 A ATOM 998 HE2 LYS 63 2.676 -13.758 5.648 1.00 3.44 A ATOM 999 NZ LYS 63 3.096 -15.160 7.161 1.00 51.34 A ATOM 1000 HZ1 LYS 63 2.896 -15.186 8.181 1.00 72.10 A ATOM 1001 HZ2 LYS 63 4.080 -14.855 7.020 1.00 41.21 A ATOM 1002 HZ3 LYS 63 2.982 -16.117 6.771 1.00 54.13 A ATOM 1003 C LYS 63 -2.824 -13.894 9.110 1.00 31.40 A ATOM 1004 O LYS 63 -2.455 -13.491 10.212 1.00 13.21 A ATOM 1005 N GLY 64 -3.888 -13.406 8.480 1.00 41.44 A ATOM 1006 HN GLY 64 -4.135 -13.766 7.602 1.00 30.23 A ATOM 1007 CA GLY 64 -4.683 -12.348 9.076 1.00 4.10 A ATOM 1008 HA1 GLY 64 -4.440 -12.280 10.126 1.00 11.14 A ATOM 1009 HA2 GLY 64 -5.728 -12.597 8.974 1.00 52.22 A ATOM 1010 C GLY 64 -4.433 -11.000 8.428 1.00 72.12 A ATOM 1011 O GLY 64 -4.694 -9.959 9.029 1.00 1.44 A ATOM 1012 N GLU 65 -3.924 -11.020 7.201 1.00 71.02 A ATOM 1013 HN GLU 65 -3.737 -11.882 6.775 1.00 62.35 A ATOM 1014 CA GLU 65 -3.636 -9.789 6.474 1.00 71.24 A ATOM 1015 HA GLU 65 -4.133 -8.978 6.985 1.00 62.53 A ATOM 1016 CB GLU 65 -2.131 -9.519 6.459 1.00 52.24 A ATOM 1017 HB1 GLU 65 -1.960 -8.529 6.062 1.00 63.02 A ATOM 1018 HB2 GLU 65 -1.654 -10.242 5.814 1.00 21.43 A ATOM 1019 CG GLU 65 -1.484 -9.601 7.831 1.00 14.41 A ATOM 1020 HG1 GLU 65 -1.796 -10.518 8.308 1.00 2.01 A ATOM 1021 HG2 GLU 65 -1.815 -8.759 8.421 1.00 25.04 A ATOM 1022 CD GLU 65 0.030 -9.580 7.764 1.00 24.24 A ATOM 1023 OE1 GLU 65 0.646 -8.779 8.497 1.00 4.24 A ATOM 1024 OE2 GLU 65 0.600 -10.367 6.979 1.00 54.44 A ATOM 1025 C GLU 65 -4.165 -9.866 5.043 1.00 73.20 A ATOM 1026 O GLU 65 -4.376 -10.953 4.507 1.00 51.04 A ATOM 1027 N ALA 66 -4.377 -8.704 4.434 1.00 34.45 A ATOM 1028 HN ALA 66 -4.190 -7.871 4.915 1.00 35.42 A ATOM 1029 CA ALA 66 -4.879 -8.639 3.068 1.00 74.34 A ATOM 1030 HA ALA 66 -4.212 -9.212 2.439 1.00 12.13 A ATOM 1031 CB ALA 66 -6.263 -9.267 2.982 1.00 41.10 A ATOM 1032 HB1 ALA 66 -6.931 -8.752 3.657 1.00 75.12 A ATOM 1033 HB2 ALA 66 -6.633 -9.184 1.973 1.00 54.05 A ATOM 1034 HB3 ALA 66 -6.203 -10.308 3.261 1.00 61.52 A ATOM 1035 C ALA 66 -4.918 -7.200 2.565 1.00 64.23 A ATOM 1036 O ALA 66 -5.046 -6.260 3.348 1.00 14.05 A ATOM 1037 N THR 67 -4.803 -7.034 1.251 1.00 51.04 A ATOM 1038 HN THR 67 -4.702 -7.822 0.677 1.00 33.33 A ATOM 1039 CA THR 67 -4.822 -5.709 0.643 1.00 24.32 A ATOM 1040 HA THR 67 -4.784 -4.978 1.437 1.00 12.32 A ATOM 1041 CB THR 67 -3.603 -5.493 -0.274 1.00 32.32 A ATOM 1042 HB THR 67 -3.848 -4.731 -0.999 1.00 1.14 A ATOM 1043 OG1 THR 67 -3.286 -6.708 -0.961 1.00 21.43 A ATOM 1044 HG1 THR 67 -2.391 -6.657 -1.306 1.00 21.10 A ATOM 1045 CG2 THR 67 -2.398 -5.030 0.530 1.00 23.12 A ATOM 1046 HG21 THR 67 -2.726 -4.389 1.335 1.00 52.34 A ATOM 1047 HG22 THR 67 -1.724 -4.485 -0.114 1.00 1.55 A ATOM 1048 HG23 THR 67 -1.888 -5.889 0.941 1.00 2.34 A ATOM 1049 C THR 67 -6.096 -5.494 -0.166 1.00 73.32 A ATOM 1050 O THR 67 -6.530 -6.378 -0.906 1.00 4.43 A ATOM 1051 N VAL 68 -6.691 -4.314 -0.022 1.00 75.41 A ATOM 1052 HN VAL 68 -6.298 -3.651 0.582 1.00 65.00 A ATOM 1053 CA VAL 68 -7.915 -3.983 -0.742 1.00 13.42 A ATOM 1054 HA VAL 68 -8.210 -4.848 -1.317 1.00 65.33 A ATOM 1055 CB VAL 68 -9.060 -3.635 0.228 1.00 32.23 A ATOM 1056 HB VAL 68 -8.758 -2.781 0.816 1.00 32.44 A ATOM 1057 CG1 VAL 68 -10.318 -3.262 -0.543 1.00 20.55 A ATOM 1058 HG11 VAL 68 -10.626 -4.098 -1.154 1.00 4.43 A ATOM 1059 HG12 VAL 68 -11.106 -3.015 0.154 1.00 12.33 A ATOM 1060 HG13 VAL 68 -10.114 -2.410 -1.173 1.00 62.42 A ATOM 1061 CG2 VAL 68 -9.327 -4.797 1.173 1.00 11.23 A ATOM 1062 HG21 VAL 68 -8.397 -5.123 1.614 1.00 61.32 A ATOM 1063 HG22 VAL 68 -10.004 -4.478 1.954 1.00 5.11 A ATOM 1064 HG23 VAL 68 -9.772 -5.613 0.623 1.00 13.12 A ATOM 1065 C VAL 68 -7.694 -2.810 -1.691 1.00 52.14 A ATOM 1066 O VAL 68 -7.399 -1.695 -1.258 1.00 73.43 A ATOM 1067 N SER 69 -7.838 -3.069 -2.986 1.00 52.22 A ATOM 1068 HN SER 69 -8.072 -3.978 -3.270 1.00 14.55 A ATOM 1069 CA SER 69 -7.650 -2.035 -3.998 1.00 21.14 A ATOM 1070 HA SER 69 -6.828 -1.410 -3.686 1.00 22.34 A ATOM 1071 CB SER 69 -7.309 -2.669 -5.348 1.00 2.23 A ATOM 1072 HB1 SER 69 -7.136 -1.889 -6.075 1.00 4.44 A ATOM 1073 HB2 SER 69 -8.133 -3.285 -5.672 1.00 34.11 A ATOM 1074 OG SER 69 -6.147 -3.474 -5.255 1.00 53.30 A ATOM 1075 HG SER 69 -5.905 -3.789 -6.128 1.00 4.13 A ATOM 1076 C SER 69 -8.902 -1.172 -4.130 1.00 2.41 A ATOM 1077 O SER 69 -9.999 -1.679 -4.363 1.00 31.51 A ATOM 1078 N PHE 70 -8.728 0.137 -3.980 1.00 41.35 A ATOM 1079 HN PHE 70 -7.829 0.482 -3.797 1.00 3.22 A ATOM 1080 CA PHE 70 -9.842 1.073 -4.082 1.00 2.01 A ATOM 1081 HA PHE 70 -10.757 0.504 -4.035 1.00 71.45 A ATOM 1082 CB PHE 70 -9.810 2.063 -2.916 1.00 53.50 A ATOM 1083 HB1 PHE 70 -10.457 2.898 -3.145 1.00 61.22 A ATOM 1084 HB2 PHE 70 -8.801 2.421 -2.784 1.00 33.10 A ATOM 1085 CG PHE 70 -10.264 1.470 -1.614 1.00 74.02 A ATOM 1086 CD1 PHE 70 -9.452 0.590 -0.918 1.00 14.54 A ATOM 1087 HD1 PHE 70 -8.482 0.333 -1.319 1.00 63.12 A ATOM 1088 CD2 PHE 70 -11.505 1.791 -1.085 1.00 44.24 A ATOM 1089 HD2 PHE 70 -12.147 2.475 -1.620 1.00 13.32 A ATOM 1090 CE1 PHE 70 -9.867 0.043 0.283 1.00 71.21 A ATOM 1091 HE1 PHE 70 -9.223 -0.642 0.815 1.00 4.11 A ATOM 1092 CE2 PHE 70 -11.925 1.247 0.114 1.00 54.03 A ATOM 1093 HE2 PHE 70 -12.894 1.505 0.514 1.00 25.13 A ATOM 1094 CZ PHE 70 -11.106 0.371 0.798 1.00 22.20 A ATOM 1095 HZ PHE 70 -11.431 -0.055 1.735 1.00 34.31 A ATOM 1096 C PHE 70 -9.798 1.828 -5.407 1.00 4.40 A ATOM 1097 O PHE 70 -8.729 2.038 -5.980 1.00 12.02 A ATOM 1098 N ASP 71 -10.969 2.234 -5.889 1.00 64.21 A ATOM 1099 HN ASP 71 -11.787 2.036 -5.386 1.00 44.42 A ATOM 1100 CA ASP 71 -11.066 2.966 -7.145 1.00 42.43 A ATOM 1101 HA ASP 71 -10.457 2.454 -7.875 1.00 53.44 A ATOM 1102 CB ASP 71 -12.514 2.991 -7.636 1.00 75.12 A ATOM 1103 HB1 ASP 71 -13.008 3.865 -7.236 1.00 20.53 A ATOM 1104 HB2 ASP 71 -13.022 2.104 -7.285 1.00 64.22 A ATOM 1105 CG ASP 71 -12.614 3.032 -9.148 1.00 44.35 A ATOM 1106 OD1 ASP 71 -12.574 1.953 -9.776 1.00 24.12 A ATOM 1107 OD2 ASP 71 -12.732 4.144 -9.704 1.00 32.14 A ATOM 1108 C ASP 71 -10.546 4.392 -6.986 1.00 23.55 A ATOM 1109 O ASP 71 -10.098 5.012 -7.951 1.00 34.13 A ATOM 1110 N ASP 72 -10.607 4.904 -5.762 1.00 14.53 A ATOM 1111 HN ASP 72 -10.973 4.360 -5.034 1.00 43.32 A ATOM 1112 CA ASP 72 -10.143 6.257 -5.476 1.00 62.21 A ATOM 1113 HA ASP 72 -9.658 6.636 -6.363 1.00 22.30 A ATOM 1114 CB ASP 72 -11.325 7.163 -5.130 1.00 25.12 A ATOM 1115 HB1 ASP 72 -11.048 8.191 -5.312 1.00 74.34 A ATOM 1116 HB2 ASP 72 -11.571 7.041 -4.085 1.00 34.31 A ATOM 1117 CG ASP 72 -12.559 6.844 -5.953 1.00 45.13 A ATOM 1118 OD1 ASP 72 -12.700 7.415 -7.055 1.00 15.42 A ATOM 1119 OD2 ASP 72 -13.380 6.023 -5.495 1.00 32.31 A ATOM 1120 C ASP 72 -9.136 6.254 -4.329 1.00 34.04 A ATOM 1121 O ASP 72 -9.354 5.645 -3.282 1.00 24.11 A ATOM 1122 N PRO 73 -8.008 6.950 -4.530 1.00 65.31 A ATOM 1123 CA PRO 73 -6.944 7.043 -3.526 1.00 22.54 A ATOM 1124 HA PRO 73 -6.626 6.065 -3.194 1.00 13.24 A ATOM 1125 CB PRO 73 -5.801 7.725 -4.279 1.00 53.22 A ATOM 1126 HB1 PRO 73 -5.135 6.978 -4.683 1.00 21.00 A ATOM 1127 HB2 PRO 73 -5.258 8.374 -3.607 1.00 22.24 A ATOM 1128 CG PRO 73 -6.471 8.500 -5.363 1.00 23.35 A ATOM 1129 HG1 PRO 73 -5.803 8.606 -6.203 1.00 63.25 A ATOM 1130 HG2 PRO 73 -6.766 9.469 -4.991 1.00 2.44 A ATOM 1131 CD PRO 73 -7.682 7.700 -5.755 1.00 22.13 A ATOM 1132 HD1 PRO 73 -7.443 7.028 -6.567 1.00 31.43 A ATOM 1133 HD2 PRO 73 -8.493 8.356 -6.032 1.00 75.14 A ATOM 1134 C PRO 73 -7.360 7.877 -2.319 1.00 2.22 A ATOM 1135 O PRO 73 -6.860 7.698 -1.207 1.00 63.12 A ATOM 1136 N PRO 74 -8.296 8.812 -2.538 1.00 25.35 A ATOM 1137 CA PRO 74 -8.800 9.692 -1.479 1.00 71.00 A ATOM 1138 HA PRO 74 -7.995 10.204 -0.973 1.00 70.40 A ATOM 1139 CB PRO 74 -9.655 10.709 -2.241 1.00 23.31 A ATOM 1140 HB1 PRO 74 -9.063 11.583 -2.466 1.00 42.42 A ATOM 1141 HB2 PRO 74 -10.507 10.989 -1.637 1.00 72.21 A ATOM 1142 CG PRO 74 -10.072 9.998 -3.482 1.00 14.53 A ATOM 1143 HG1 PRO 74 -10.240 10.713 -4.274 1.00 22.34 A ATOM 1144 HG2 PRO 74 -10.970 9.429 -3.293 1.00 23.22 A ATOM 1145 CD PRO 74 -8.937 9.081 -3.837 1.00 64.31 A ATOM 1146 HD1 PRO 74 -8.249 9.573 -4.509 1.00 10.32 A ATOM 1147 HD2 PRO 74 -9.310 8.169 -4.279 1.00 14.15 A ATOM 1148 C PRO 74 -9.647 8.943 -0.457 1.00 64.24 A ATOM 1149 O PRO 74 -9.665 9.292 0.723 1.00 51.12 A ATOM 1150 N SER 75 -10.348 7.911 -0.918 1.00 3.11 A ATOM 1151 HN SER 75 -10.290 7.682 -1.868 1.00 53.04 A ATOM 1152 CA SER 75 -11.200 7.114 -0.043 1.00 52.42 A ATOM 1153 HA SER 75 -11.623 7.775 0.700 1.00 23.12 A ATOM 1154 CB SER 75 -12.336 6.476 -0.845 1.00 4.22 A ATOM 1155 HB1 SER 75 -12.652 5.566 -0.355 1.00 44.40 A ATOM 1156 HB2 SER 75 -11.984 6.246 -1.839 1.00 51.34 A ATOM 1157 OG SER 75 -13.446 7.352 -0.944 1.00 23.43 A ATOM 1158 HG SER 75 -14.191 6.977 -0.470 1.00 70.24 A ATOM 1159 C SER 75 -10.391 6.032 0.665 1.00 73.45 A ATOM 1160 O SER 75 -10.708 5.639 1.787 1.00 61.00 A ATOM 1161 N ALA 76 -9.345 5.553 0.000 1.00 11.30 A ATOM 1162 HN ALA 76 -9.144 5.906 -0.891 1.00 44.54 A ATOM 1163 CA ALA 76 -8.489 4.518 0.565 1.00 60.42 A ATOM 1164 HA ALA 76 -9.118 3.692 0.866 1.00 0.20 A ATOM 1165 CB ALA 76 -7.513 4.009 -0.486 1.00 21.13 A ATOM 1166 HB1 ALA 76 -7.800 3.013 -0.790 1.00 23.42 A ATOM 1167 HB2 ALA 76 -7.531 4.666 -1.342 1.00 0.40 A ATOM 1168 HB3 ALA 76 -6.517 3.986 -0.070 1.00 22.22 A ATOM 1169 C ALA 76 -7.734 5.034 1.785 1.00 52.31 A ATOM 1170 O ALA 76 -7.531 4.307 2.757 1.00 34.34 A ATOM 1171 N LYS 77 -7.318 6.295 1.726 1.00 30.23 A ATOM 1172 HN LYS 77 -7.508 6.825 0.925 1.00 73.13 A ATOM 1173 CA LYS 77 -6.585 6.910 2.827 1.00 15.35 A ATOM 1174 HA LYS 77 -5.745 6.275 3.062 1.00 12.00 A ATOM 1175 CB LYS 77 -6.067 8.290 2.414 1.00 71.51 A ATOM 1176 HB1 LYS 77 -6.881 8.850 1.976 1.00 4.13 A ATOM 1177 HB2 LYS 77 -5.290 8.162 1.674 1.00 24.01 A ATOM 1178 CG LYS 77 -5.498 9.097 3.568 1.00 24.10 A ATOM 1179 HG1 LYS 77 -4.697 9.721 3.197 1.00 31.25 A ATOM 1180 HG2 LYS 77 -5.114 8.419 4.315 1.00 22.40 A ATOM 1181 CD LYS 77 -6.558 9.980 4.206 1.00 42.34 A ATOM 1182 HD1 LYS 77 -7.091 9.407 4.950 1.00 4.44 A ATOM 1183 HD2 LYS 77 -7.247 10.310 3.441 1.00 30.43 A ATOM 1184 CE LYS 77 -5.940 11.202 4.869 1.00 64.44 A ATOM 1185 HE1 LYS 77 -5.027 10.903 5.364 1.00 75.11 A ATOM 1186 HE2 LYS 77 -6.633 11.590 5.598 1.00 72.53 A ATOM 1187 NZ LYS 77 -5.627 12.271 3.880 1.00 22.32 A ATOM 1188 HZ1 LYS 77 -6.454 12.887 3.748 1.00 41.43 A ATOM 1189 HZ2 LYS 77 -5.373 11.848 2.965 1.00 70.25 A ATOM 1190 HZ3 LYS 77 -4.829 12.846 4.216 1.00 42.35 A ATOM 1191 C LYS 77 -7.467 7.037 4.065 1.00 10.41 A ATOM 1192 O LYS 77 -7.014 6.818 5.188 1.00 72.03 A ATOM 1193 N ALA 78 -8.731 7.392 3.851 1.00 70.33 A ATOM 1194 HN ALA 78 -9.034 7.553 2.934 1.00 64.01 A ATOM 1195 CA ALA 78 -9.678 7.544 4.950 1.00 45.23 A ATOM 1196 HA ALA 78 -9.245 8.221 5.671 1.00 5.31 A ATOM 1197 CB ALA 78 -10.976 8.158 4.446 1.00 24.21 A ATOM 1198 HB1 ALA 78 -10.921 8.285 3.375 1.00 64.04 A ATOM 1199 HB2 ALA 78 -11.800 7.505 4.690 1.00 74.02 A ATOM 1200 HB3 ALA 78 -11.124 9.118 4.915 1.00 52.44 A ATOM 1201 C ALA 78 -9.950 6.206 5.629 1.00 40.44 A ATOM 1202 O ALA 78 -9.894 6.098 6.853 1.00 2.00 A ATOM 1203 N ALA 79 -10.249 5.190 4.825 1.00 2.43 A ATOM 1204 HN ALA 79 -10.278 5.339 3.857 1.00 1.44 A ATOM 1205 CA ALA 79 -10.530 3.860 5.348 1.00 21.50 A ATOM 1206 HA ALA 79 -11.473 3.900 5.873 1.00 64.21 A ATOM 1207 CB ALA 79 -10.665 2.861 4.209 1.00 43.43 A ATOM 1208 HB1 ALA 79 -9.713 2.381 4.036 1.00 13.35 A ATOM 1209 HB2 ALA 79 -11.403 2.117 4.468 1.00 31.33 A ATOM 1210 HB3 ALA 79 -10.975 3.379 3.312 1.00 35.30 A ATOM 1211 C ALA 79 -9.443 3.411 6.320 1.00 13.14 A ATOM 1212 O ALA 79 -9.711 2.672 7.268 1.00 4.44 A ATOM 1213 N ILE 80 -8.217 3.862 6.078 1.00 20.50 A ATOM 1214 HN ILE 80 -8.066 4.447 5.306 1.00 14.02 A ATOM 1215 CA ILE 80 -7.091 3.506 6.932 1.00 5.32 A ATOM 1216 HA ILE 80 -7.055 2.429 7.005 1.00 21.13 A ATOM 1217 CB ILE 80 -5.757 3.996 6.338 1.00 41.31 A ATOM 1218 HB ILE 80 -5.815 5.067 6.214 1.00 32.12 A ATOM 1219 CG1 ILE 80 -5.511 3.348 4.973 1.00 73.40 A ATOM 1220 HG11 ILE 80 -6.460 3.216 4.471 1.00 3.14 A ATOM 1221 HG12 ILE 80 -5.050 2.384 5.117 1.00 20.13 A ATOM 1222 CG2 ILE 80 -4.609 3.691 7.289 1.00 13.31 A ATOM 1223 HG21 ILE 80 -4.767 4.212 8.222 1.00 11.01 A ATOM 1224 HG22 ILE 80 -4.568 2.628 7.474 1.00 53.43 A ATOM 1225 HG23 ILE 80 -3.679 4.017 6.848 1.00 74.21 A ATOM 1226 CD1 ILE 80 -4.614 4.162 4.069 1.00 55.55 A ATOM 1227 HD11 ILE 80 -3.603 3.790 4.136 1.00 43.33 A ATOM 1228 HD12 ILE 80 -4.962 4.084 3.050 1.00 51.04 A ATOM 1229 HD13 ILE 80 -4.636 5.198 4.378 1.00 21.15 A ATOM 1230 C ILE 80 -7.256 4.090 8.331 1.00 1.31 A ATOM 1231 O ILE 80 -7.366 3.355 9.312 1.00 44.42 A ATOM 1232 N ASP 81 -7.274 5.416 8.414 1.00 25.03 A ATOM 1233 HN ASP 81 -7.181 5.948 7.596 1.00 75.42 A ATOM 1234 CA ASP 81 -7.430 6.100 9.693 1.00 63.20 A ATOM 1235 HA ASP 81 -6.675 5.721 10.364 1.00 31.25 A ATOM 1236 CB ASP 81 -7.228 7.606 9.518 1.00 72.20 A ATOM 1237 HB1 ASP 81 -8.181 8.068 9.305 1.00 31.54 A ATOM 1238 HB2 ASP 81 -6.556 7.779 8.690 1.00 72.21 A ATOM 1239 CG ASP 81 -6.643 8.259 10.754 1.00 4.14 A ATOM 1240 OD1 ASP 81 -7.321 8.258 11.803 1.00 43.32 A ATOM 1241 OD2 ASP 81 -5.507 8.772 10.672 1.00 24.03 A ATOM 1242 C ASP 81 -8.804 5.824 10.293 1.00 1.41 A ATOM 1243 O ASP 81 -9.022 6.022 11.489 1.00 61.24 A ATOM 1244 N TRP 82 -9.729 5.369 9.456 1.00 75.14 A ATOM 1245 HN TRP 82 -9.496 5.232 8.512 1.00 21.24 A ATOM 1246 CA TRP 82 -11.083 5.068 9.904 1.00 74.44 A ATOM 1247 HA TRP 82 -11.400 5.865 10.559 1.00 44.11 A ATOM 1248 CB TRP 82 -12.036 5.001 8.707 1.00 40.20 A ATOM 1249 HB1 TRP 82 -11.876 4.072 8.181 1.00 24.41 A ATOM 1250 HB2 TRP 82 -11.829 5.827 8.044 1.00 4.13 A ATOM 1251 CG TRP 82 -13.482 5.071 9.095 1.00 32.12 A ATOM 1252 CD1 TRP 82 -14.339 4.020 9.258 1.00 63.44 A ATOM 1253 HD1 TRP 82 -14.063 2.985 9.120 1.00 70.11 A ATOM 1254 CD2 TRP 82 -14.240 6.255 9.367 1.00 64.55 A ATOM 1255 NE1 TRP 82 -15.583 4.479 9.614 1.00 70.55 A ATOM 1256 HE1 TRP 82 -16.368 3.917 9.788 1.00 43.05 A ATOM 1257 CE2 TRP 82 -15.550 5.846 9.688 1.00 62.11 A ATOM 1258 CE3 TRP 82 -13.941 7.619 9.370 1.00 1.44 A ATOM 1259 HE3 TRP 82 -12.950 7.974 9.131 1.00 44.42 A ATOM 1260 CZ2 TRP 82 -16.554 6.754 10.009 1.00 52.13 A ATOM 1261 HZ2 TRP 82 -17.556 6.434 10.255 1.00 12.30 A ATOM 1262 CZ3 TRP 82 -14.940 8.520 9.690 1.00 61.44 A ATOM 1263 HZ3 TRP 82 -14.726 9.579 9.698 1.00 30.40 A ATOM 1264 CH2 TRP 82 -16.233 8.084 10.006 1.00 42.35 A ATOM 1265 HH2 TRP 82 -16.983 8.823 10.248 1.00 65.43 A ATOM 1266 C TRP 82 -11.123 3.752 10.674 1.00 53.33 A ATOM 1267 O TRP 82 -11.618 3.695 11.799 1.00 1.23 A ATOM 1268 N PHE 83 -10.597 2.697 10.061 1.00 75.13 A ATOM 1269 HN PHE 83 -10.217 2.806 9.164 1.00 73.54 A ATOM 1270 CA PHE 83 -10.572 1.381 10.689 1.00 11.43 A ATOM 1271 HA PHE 83 -11.444 1.300 11.320 1.00 2.11 A ATOM 1272 CB PHE 83 -10.624 0.283 9.625 1.00 1.21 A ATOM 1273 HB1 PHE 83 -10.671 -0.679 10.113 1.00 42.30 A ATOM 1274 HB2 PHE 83 -9.729 0.334 9.023 1.00 73.31 A ATOM 1275 CG PHE 83 -11.806 0.394 8.704 1.00 43.42 A ATOM 1276 CD1 PHE 83 -13.095 0.386 9.209 1.00 13.41 A ATOM 1277 HD1 PHE 83 -13.249 0.299 10.274 1.00 44.22 A ATOM 1278 CD2 PHE 83 -11.626 0.508 7.336 1.00 71.43 A ATOM 1279 HD2 PHE 83 -10.623 0.515 6.931 1.00 35.04 A ATOM 1280 CE1 PHE 83 -14.185 0.488 8.364 1.00 34.13 A ATOM 1281 HE1 PHE 83 -15.185 0.481 8.770 1.00 72.03 A ATOM 1282 CE2 PHE 83 -12.711 0.610 6.486 1.00 75.21 A ATOM 1283 HE2 PHE 83 -12.557 0.698 5.421 1.00 50.12 A ATOM 1284 CZ PHE 83 -13.993 0.601 7.001 1.00 22.02 A ATOM 1285 HZ PHE 83 -14.842 0.680 6.339 1.00 31.02 A ATOM 1286 C PHE 83 -9.325 1.213 11.550 1.00 42.23 A ATOM 1287 O PHE 83 -9.178 0.220 12.263 1.00 71.43 A ATOM 1288 N ASP 84 -8.428 2.191 11.479 1.00 33.14 A ATOM 1289 HN ASP 84 -8.601 2.957 10.893 1.00 14.34 A ATOM 1290 CA ASP 84 -7.192 2.153 12.252 1.00 33.34 A ATOM 1291 HA ASP 84 -6.631 1.286 11.938 1.00 60.13 A ATOM 1292 CB ASP 84 -6.360 3.408 11.985 1.00 23.44 A ATOM 1293 HB1 ASP 84 -7.019 4.260 11.911 1.00 60.23 A ATOM 1294 HB2 ASP 84 -5.827 3.287 11.053 1.00 20.12 A ATOM 1295 CG ASP 84 -5.349 3.676 13.082 1.00 12.31 A ATOM 1296 OD1 ASP 84 -5.383 4.782 13.662 1.00 72.24 A ATOM 1297 OD2 ASP 84 -4.524 2.781 13.361 1.00 4.51 A ATOM 1298 C ASP 84 -7.487 2.031 13.744 1.00 3.00 A ATOM 1299 O ASP 84 -8.057 2.938 14.350 1.00 24.35 A ATOM 1300 N GLY 85 -7.098 0.903 14.330 1.00 63.35 A ATOM 1301 HN GLY 85 -6.648 0.214 13.796 1.00 53.21 A ATOM 1302 CA GLY 85 -7.330 0.682 15.745 1.00 54.51 A ATOM 1303 HA1 GLY 85 -7.241 1.626 16.264 1.00 64.33 A ATOM 1304 HA2 GLY 85 -6.579 0.004 16.120 1.00 75.32 A ATOM 1305 C GLY 85 -8.702 0.100 16.023 1.00 0.33 A ATOM 1306 O GLY 85 -9.013 -0.261 17.157 1.00 12.35 A ATOM 1307 N LYS 86 -9.525 0.010 14.985 1.00 33.31 A ATOM 1308 HN LYS 86 -9.220 0.314 14.104 1.00 3.14 A ATOM 1309 CA LYS 86 -10.873 -0.532 15.122 1.00 70.11 A ATOM 1310 HA LYS 86 -11.266 -0.208 16.073 1.00 11.24 A ATOM 1311 CB LYS 86 -11.774 -0.003 14.004 1.00 41.51 A ATOM 1312 HB1 LYS 86 -12.723 -0.518 14.048 1.00 43.00 A ATOM 1313 HB2 LYS 86 -11.306 -0.209 13.053 1.00 50.14 A ATOM 1314 CG LYS 86 -12.037 1.491 14.091 1.00 74.44 A ATOM 1315 HG1 LYS 86 -12.184 1.880 13.094 1.00 5.41 A ATOM 1316 HG2 LYS 86 -11.185 1.972 14.546 1.00 21.14 A ATOM 1317 CD LYS 86 -13.274 1.790 14.923 1.00 13.12 A ATOM 1318 HD1 LYS 86 -13.207 1.254 15.859 1.00 24.51 A ATOM 1319 HD2 LYS 86 -14.150 1.464 14.382 1.00 61.41 A ATOM 1320 CE LYS 86 -13.403 3.277 15.213 1.00 14.41 A ATOM 1321 HE1 LYS 86 -13.467 3.810 14.277 1.00 60.34 A ATOM 1322 HE2 LYS 86 -12.527 3.603 15.753 1.00 61.12 A ATOM 1323 NZ LYS 86 -14.612 3.580 16.027 1.00 11.40 A ATOM 1324 HZ1 LYS 86 -14.481 3.242 17.003 1.00 54.12 A ATOM 1325 HZ2 LYS 86 -15.446 3.110 15.620 1.00 64.04 A ATOM 1326 HZ3 LYS 86 -14.783 4.606 16.047 1.00 2.22 A ATOM 1327 C LYS 86 -10.851 -2.057 15.093 1.00 64.05 A ATOM 1328 O LYS 86 -9.787 -2.670 15.021 1.00 0.01 A ATOM 1329 N GLU 87 -12.034 -2.662 15.146 1.00 71.25 A ATOM 1330 HN GLU 87 -12.848 -2.119 15.200 1.00 44.22 A ATOM 1331 CA GLU 87 -12.149 -4.116 15.123 1.00 12.32 A ATOM 1332 HA GLU 87 -11.153 -4.528 15.196 1.00 72.24 A ATOM 1333 CB GLU 87 -12.975 -4.602 16.317 1.00 54.41 A ATOM 1334 HB1 GLU 87 -13.062 -5.677 16.265 1.00 40.14 A ATOM 1335 HB2 GLU 87 -13.961 -4.167 16.256 1.00 53.01 A ATOM 1336 CG GLU 87 -12.373 -4.237 17.663 1.00 13.24 A ATOM 1337 HG1 GLU 87 -12.150 -3.180 17.669 1.00 22.11 A ATOM 1338 HG2 GLU 87 -11.460 -4.797 17.799 1.00 34.21 A ATOM 1339 CD GLU 87 -13.304 -4.542 18.820 1.00 45.33 A ATOM 1340 OE1 GLU 87 -14.185 -5.412 18.659 1.00 34.30 A ATOM 1341 OE2 GLU 87 -13.153 -3.910 19.887 1.00 20.22 A ATOM 1342 C GLU 87 -12.787 -4.592 13.822 1.00 4.01 A ATOM 1343 O GLU 87 -13.775 -4.023 13.357 1.00 22.43 A ATOM 1344 N PHE 88 -12.213 -5.639 13.238 1.00 53.11 A ATOM 1345 HN PHE 88 -11.428 -6.049 13.657 1.00 63.31 A ATOM 1346 CA PHE 88 -12.723 -6.192 11.989 1.00 45.44 A ATOM 1347 HA PHE 88 -13.330 -5.435 11.515 1.00 52.23 A ATOM 1348 CB PHE 88 -11.566 -6.556 11.056 1.00 23.21 A ATOM 1349 HB1 PHE 88 -10.899 -7.232 11.571 1.00 1.22 A ATOM 1350 HB2 PHE 88 -11.028 -5.658 10.793 1.00 5.34 A ATOM 1351 CG PHE 88 -12.007 -7.220 9.784 1.00 41.31 A ATOM 1352 CD1 PHE 88 -12.168 -8.595 9.723 1.00 10.44 A ATOM 1353 HD1 PHE 88 -11.973 -9.190 10.603 1.00 34.50 A ATOM 1354 CD2 PHE 88 -12.261 -6.469 8.648 1.00 41.43 A ATOM 1355 HD2 PHE 88 -12.138 -5.395 8.684 1.00 74.14 A ATOM 1356 CE1 PHE 88 -12.572 -9.208 8.553 1.00 50.42 A ATOM 1357 HE1 PHE 88 -12.696 -10.280 8.518 1.00 45.13 A ATOM 1358 CE2 PHE 88 -12.667 -7.076 7.474 1.00 23.02 A ATOM 1359 HE2 PHE 88 -12.862 -6.478 6.596 1.00 21.42 A ATOM 1360 CZ PHE 88 -12.824 -8.447 7.427 1.00 21.32 A ATOM 1361 HZ PHE 88 -13.139 -8.924 6.511 1.00 11.14 A ATOM 1362 C PHE 88 -13.586 -7.422 12.251 1.00 51.03 A ATOM 1363 O PHE 88 -14.763 -7.457 11.888 1.00 21.11 A ATOM 1364 N SER 89 -12.993 -8.430 12.883 1.00 53.12 A ATOM 1365 HN SER 89 -12.054 -8.342 13.146 1.00 13.34 A ATOM 1366 CA SER 89 -13.707 -9.664 13.190 1.00 30.41 A ATOM 1367 HA SER 89 -14.731 -9.545 12.867 1.00 22.11 A ATOM 1368 CB SER 89 -13.082 -10.840 12.437 1.00 62.13 A ATOM 1369 HB1 SER 89 -13.258 -11.752 12.989 1.00 64.02 A ATOM 1370 HB2 SER 89 -12.019 -10.678 12.338 1.00 13.31 A ATOM 1371 OG SER 89 -13.644 -10.974 11.143 1.00 52.31 A ATOM 1372 HG SER 89 -14.586 -10.797 11.184 1.00 70.54 A ATOM 1373 C SER 89 -13.691 -9.941 14.690 1.00 30.33 A ATOM 1374 O SER 89 -13.668 -11.094 15.120 1.00 15.21 A ATOM 1375 N GLY 90 -13.705 -8.874 15.482 1.00 3.21 A ATOM 1376 HN GLY 90 -13.723 -7.979 15.084 1.00 3.43 A ATOM 1377 CA GLY 90 -13.691 -9.022 16.927 1.00 51.33 A ATOM 1378 HA1 GLY 90 -14.080 -9.997 17.180 1.00 24.24 A ATOM 1379 HA2 GLY 90 -14.330 -8.267 17.361 1.00 61.05 A ATOM 1380 C GLY 90 -12.301 -8.883 17.512 1.00 44.34 A ATOM 1381 O GLY 90 -12.092 -9.124 18.700 1.00 42.41 A ATOM 1382 N ASN 91 -11.344 -8.494 16.674 1.00 34.31 A ATOM 1383 HN ASN 91 -11.572 -8.317 15.736 1.00 2.05 A ATOM 1384 CA ASN 91 -9.964 -8.326 17.114 1.00 54.12 A ATOM 1385 HA ASN 91 -9.954 -8.366 18.194 1.00 61.34 A ATOM 1386 CB ASN 91 -9.089 -9.455 16.566 1.00 35.50 A ATOM 1387 HB1 ASN 91 -9.214 -10.332 17.184 1.00 13.23 A ATOM 1388 HB2 ASN 91 -8.056 -9.146 16.590 1.00 3.21 A ATOM 1389 CG ASN 91 -9.447 -9.821 15.138 1.00 40.40 A ATOM 1390 OD1 ASN 91 -9.766 -8.953 14.325 1.00 32.12 A ATOM 1391 ND2 ASN 91 -9.393 -11.110 14.825 1.00 31.31 A ATOM 1392 HD21 ASN 91 -9.130 -11.745 15.524 1.00 70.30 A ATOM 1393 HD22 ASN 91 -9.618 -11.374 13.910 1.00 60.24 A ATOM 1394 C ASN 91 -9.411 -6.976 16.666 1.00 32.41 A ATOM 1395 O ASN 91 -9.900 -6.361 15.719 1.00 3.24 A ATOM 1396 N PRO 92 -8.367 -6.505 17.364 1.00 43.42 A ATOM 1397 CA PRO 92 -7.723 -5.224 17.056 1.00 52.12 A ATOM 1398 HA PRO 92 -8.440 -4.416 17.027 1.00 71.44 A ATOM 1399 CB PRO 92 -6.764 -5.017 18.230 1.00 72.23 A ATOM 1400 HB1 PRO 92 -7.241 -4.413 18.988 1.00 75.42 A ATOM 1401 HB2 PRO 92 -5.866 -4.526 17.883 1.00 30.04 A ATOM 1402 CG PRO 92 -6.476 -6.391 18.730 1.00 14.40 A ATOM 1403 HG1 PRO 92 -6.240 -6.355 19.784 1.00 21.12 A ATOM 1404 HG2 PRO 92 -5.657 -6.820 18.175 1.00 4.44 A ATOM 1405 CD PRO 92 -7.732 -7.185 18.506 1.00 60.25 A ATOM 1406 HD1 PRO 92 -8.367 -7.144 19.379 1.00 54.33 A ATOM 1407 HD2 PRO 92 -7.493 -8.209 18.259 1.00 10.15 A ATOM 1408 C PRO 92 -6.953 -5.264 15.739 1.00 12.32 A ATOM 1409 O PRO 92 -5.831 -5.767 15.681 1.00 30.43 A ATOM 1410 N ILE 93 -7.562 -4.730 14.687 1.00 14.31 A ATOM 1411 HN ILE 93 -8.455 -4.344 14.796 1.00 51.34 A ATOM 1412 CA ILE 93 -6.931 -4.703 13.373 1.00 74.31 A ATOM 1413 HA ILE 93 -6.261 -5.547 13.308 1.00 20.55 A ATOM 1414 CB ILE 93 -7.975 -4.826 12.245 1.00 31.12 A ATOM 1415 HB ILE 93 -7.467 -4.699 11.302 1.00 75.02 A ATOM 1416 CG1 ILE 93 -9.043 -3.741 12.389 1.00 12.05 A ATOM 1417 HG11 ILE 93 -8.592 -2.857 12.817 1.00 51.51 A ATOM 1418 HG12 ILE 93 -9.822 -4.096 13.048 1.00 3.44 A ATOM 1419 CG2 ILE 93 -8.609 -6.208 12.261 1.00 74.43 A ATOM 1420 HG21 ILE 93 -8.801 -6.527 11.247 1.00 72.44 A ATOM 1421 HG22 ILE 93 -7.938 -6.907 12.736 1.00 72.55 A ATOM 1422 HG23 ILE 93 -9.540 -6.172 12.808 1.00 53.12 A ATOM 1423 CD1 ILE 93 -9.688 -3.349 11.079 1.00 34.31 A ATOM 1424 HD11 ILE 93 -9.554 -4.144 10.360 1.00 32.34 A ATOM 1425 HD12 ILE 93 -10.742 -3.175 11.232 1.00 14.42 A ATOM 1426 HD13 ILE 93 -9.225 -2.447 10.706 1.00 11.11 A ATOM 1427 C ILE 93 -6.132 -3.421 13.171 1.00 14.45 A ATOM 1428 O ILE 93 -6.521 -2.353 13.646 1.00 44.23 A ATOM 1429 N LYS 94 -5.013 -3.532 12.465 1.00 74.31 A ATOM 1430 HN LYS 94 -4.756 -4.411 12.113 1.00 54.22 A ATOM 1431 CA LYS 94 -4.159 -2.382 12.197 1.00 4.25 A ATOM 1432 HA LYS 94 -4.594 -1.524 12.688 1.00 64.22 A ATOM 1433 CB LYS 94 -2.756 -2.620 12.761 1.00 71.33 A ATOM 1434 HB1 LYS 94 -2.152 -3.100 12.004 1.00 33.21 A ATOM 1435 HB2 LYS 94 -2.832 -3.275 13.617 1.00 21.22 A ATOM 1436 CG LYS 94 -2.051 -1.347 13.196 1.00 23.32 A ATOM 1437 HG1 LYS 94 -1.372 -1.581 14.004 1.00 1.33 A ATOM 1438 HG2 LYS 94 -2.788 -0.636 13.537 1.00 32.25 A ATOM 1439 CD LYS 94 -1.263 -0.728 12.053 1.00 73.35 A ATOM 1440 HD1 LYS 94 -1.942 -0.181 11.415 1.00 13.53 A ATOM 1441 HD2 LYS 94 -0.789 -1.515 11.486 1.00 35.41 A ATOM 1442 CE LYS 94 -0.191 0.221 12.566 1.00 52.44 A ATOM 1443 HE1 LYS 94 0.556 0.349 11.796 1.00 74.32 A ATOM 1444 HE2 LYS 94 0.266 -0.212 13.442 1.00 10.40 A ATOM 1445 NZ LYS 94 -0.754 1.554 12.920 1.00 21.33 A ATOM 1446 HZ1 LYS 94 -0.851 1.637 13.953 1.00 62.14 A ATOM 1447 HZ2 LYS 94 -1.691 1.673 12.485 1.00 4.31 A ATOM 1448 HZ3 LYS 94 -0.126 2.309 12.579 1.00 41.33 A ATOM 1449 C LYS 94 -4.075 -2.102 10.700 1.00 21.43 A ATOM 1450 O LYS 94 -3.425 -2.837 9.957 1.00 61.42 A ATOM 1451 N VAL 95 -4.736 -1.035 10.264 1.00 3.53 A ATOM 1452 HN VAL 95 -5.236 -0.487 10.905 1.00 21.42 A ATOM 1453 CA VAL 95 -4.734 -0.657 8.855 1.00 3.41 A ATOM 1454 HA VAL 95 -4.526 -1.542 8.273 1.00 45.10 A ATOM 1455 CB VAL 95 -6.104 -0.103 8.421 1.00 44.43 A ATOM 1456 HB VAL 95 -6.216 0.889 8.835 1.00 71.35 A ATOM 1457 CG1 VAL 95 -6.181 0.003 6.906 1.00 20.13 A ATOM 1458 HG11 VAL 95 -5.877 -0.935 6.465 1.00 43.35 A ATOM 1459 HG12 VAL 95 -7.194 0.229 6.612 1.00 35.40 A ATOM 1460 HG13 VAL 95 -5.524 0.790 6.567 1.00 63.25 A ATOM 1461 CG2 VAL 95 -7.226 -0.976 8.962 1.00 54.44 A ATOM 1462 HG21 VAL 95 -8.002 -1.065 8.216 1.00 51.02 A ATOM 1463 HG22 VAL 95 -6.838 -1.956 9.197 1.00 60.50 A ATOM 1464 HG23 VAL 95 -7.635 -0.527 9.855 1.00 44.44 A ATOM 1465 C VAL 95 -3.661 0.388 8.569 1.00 11.10 A ATOM 1466 O VAL 95 -3.324 1.200 9.431 1.00 73.02 A ATOM 1467 N SER 96 -3.128 0.362 7.352 1.00 70.13 A ATOM 1468 HN SER 96 -3.438 -0.310 6.709 1.00 55.44 A ATOM 1469 CA SER 96 -2.090 1.305 6.951 1.00 34.01 A ATOM 1470 HA SER 96 -2.414 2.295 7.237 1.00 62.30 A ATOM 1471 CB SER 96 -0.777 0.984 7.666 1.00 4.44 A ATOM 1472 HB1 SER 96 -0.851 1.285 8.701 1.00 71.53 A ATOM 1473 HB2 SER 96 0.029 1.524 7.193 1.00 62.25 A ATOM 1474 OG SER 96 -0.492 -0.403 7.612 1.00 3.31 A ATOM 1475 HG SER 96 0.460 -0.534 7.603 1.00 62.33 A ATOM 1476 C SER 96 -1.881 1.273 5.440 1.00 31.22 A ATOM 1477 O SER 96 -2.215 0.291 4.776 1.00 12.33 A ATOM 1478 N PHE 97 -1.325 2.354 4.902 1.00 24.01 A ATOM 1479 HN PHE 97 -1.081 3.105 5.484 1.00 21.45 A ATOM 1480 CA PHE 97 -1.072 2.452 3.470 1.00 22.44 A ATOM 1481 HA PHE 97 -2.026 2.486 2.966 1.00 23.43 A ATOM 1482 CB PHE 97 -0.296 3.732 3.154 1.00 23.25 A ATOM 1483 HB1 PHE 97 0.280 3.582 2.254 1.00 64.30 A ATOM 1484 HB2 PHE 97 0.373 3.950 3.973 1.00 25.11 A ATOM 1485 CG PHE 97 -1.176 4.931 2.947 1.00 32.12 A ATOM 1486 CD1 PHE 97 -0.973 6.091 3.677 1.00 22.21 A ATOM 1487 HD1 PHE 97 -0.171 6.128 4.401 1.00 22.31 A ATOM 1488 CD2 PHE 97 -2.208 4.898 2.023 1.00 62.33 A ATOM 1489 HD2 PHE 97 -2.376 3.999 1.447 1.00 33.32 A ATOM 1490 CE1 PHE 97 -1.780 7.196 3.488 1.00 0.25 A ATOM 1491 HE1 PHE 97 -1.612 8.094 4.065 1.00 64.33 A ATOM 1492 CE2 PHE 97 -3.019 6.000 1.829 1.00 22.05 A ATOM 1493 HE2 PHE 97 -3.819 5.961 1.106 1.00 2.43 A ATOM 1494 CZ PHE 97 -2.806 7.150 2.564 1.00 10.21 A ATOM 1495 HZ PHE 97 -3.438 8.013 2.415 1.00 71.33 A ATOM 1496 C PHE 97 -0.295 1.236 2.972 1.00 53.54 A ATOM 1497 O PHE 97 0.701 0.834 3.571 1.00 3.43 A ATOM 1498 N ALA 98 -0.760 0.656 1.870 1.00 11.02 A ATOM 1499 HN ALA 98 -1.559 1.023 1.437 1.00 22.13 A ATOM 1500 CA ALA 98 -0.110 -0.512 1.289 1.00 5.23 A ATOM 1501 HA ALA 98 0.130 -1.195 2.091 1.00 53.00 A ATOM 1502 CB ALA 98 -1.055 -1.221 0.331 1.00 50.42 A ATOM 1503 HB1 ALA 98 -1.414 -0.516 -0.406 1.00 65.51 A ATOM 1504 HB2 ALA 98 -0.530 -2.024 -0.165 1.00 32.22 A ATOM 1505 HB3 ALA 98 -1.892 -1.622 0.882 1.00 21.14 A ATOM 1506 C ALA 98 1.179 -0.123 0.572 1.00 3.20 A ATOM 1507 O ALA 98 1.149 0.427 -0.528 1.00 54.43 A ATOM 1508 N THR 99 2.313 -0.411 1.205 1.00 33.23 A ATOM 1509 HN THR 99 2.272 -0.850 2.081 1.00 60.05 A ATOM 1510 HA THR 99 3.540 -0.204 -0.442 1.00 74.05 A ATOM 1511 CB THR 99 4.018 1.365 0.934 1.00 33.32 A ATOM 1512 HB THR 99 3.232 2.021 0.588 1.00 41.35 A ATOM 1513 OG1 THR 99 5.233 1.689 0.248 1.00 75.41 A ATOM 1514 HG1 THR 99 5.259 2.632 0.072 1.00 13.24 A ATOM 1515 CG2 THR 99 4.202 1.573 2.430 1.00 62.22 A ATOM 1516 HG21 THR 99 4.380 2.619 2.628 1.00 10.45 A ATOM 1517 HG22 THR 99 5.046 0.993 2.773 1.00 70.45 A ATOM 1518 HG23 THR 99 3.311 1.255 2.950 1.00 63.43 A ATOM 1519 CA THR 99 3.612 -0.090 0.629 1.00 3.24 A ATOM 1520 C THR 99 4.693 -1.027 1.154 1.00 24.45 A ATOM 1521 O THR 99 4.520 -1.605 2.226 1.00 43.33 A ATOM 1522 OXT THR 99 5.723 -1.171 0.462 1.00 37.18 A ATOM 1523 X ANI 900 -23.123 -15.528 -30.066 1.00 0.00 ATOM 1524 Y ANI 900 -21.747 -15.313 -29.821 1.00 0.00 ATOM 1525 Z ANI 900 -22.641 -15.472 -28.738 1.00 0.00 ATOM 1526 OO ANI 900 -22.594 -14.868 -29.533 1.00 0.00 ATOM 1527 X ANI 901 -43.794 -21.523 -60.511 1.00 0.00 ATOM 1528 Y ANI 901 -45.035 -21.027 -60.972 1.00 0.00 ATOM 1529 Z ANI 901 -44.994 -21.921 -59.877 1.00 0.00 ATOM 1530 OO ANI 901 -44.651 -21.937 -60.816 1.00 0.00 ATOM 1531 OH2 TIP3 1 -18.093 -17.451 -12.971 0.00 0.00 WAT1 ATOM 1532 H1 TIP3 1 -17.893 -17.027 -13.806 0.00 0.00 WAT1 ATOM 1533 H2 TIP3 1 -17.437 -17.108 -12.364 0.00 0.00 WAT1 ATOM 1534 OH2 TIP3 2 -15.664 -18.789 -19.096 0.00 0.00 WAT1 ATOM 1535 H1 TIP3 2 -15.686 -18.604 -18.157 0.00 0.00 WAT1 ATOM 1536 H2 TIP3 2 -14.974 -18.220 -19.436 0.00 0.00 WAT1 ATOM 1537 OH2 TIP3 3 -16.101 -19.222 -16.174 0.00 0.00 WAT1 ATOM 1538 H1 TIP3 3 -16.587 -19.957 -16.544 0.00 0.00 WAT1 ATOM 1539 H2 TIP3 3 -15.552 -19.615 -15.495 0.00 0.00 WAT1 ATOM 1540 OH2 TIP3 4 -19.075 -17.603 -17.229 0.00 0.00 WAT1 ATOM 1541 H1 TIP3 4 -19.257 -16.687 -17.439 0.00 0.00 WAT1 ATOM 1542 H2 TIP3 4 -18.899 -18.013 -18.075 0.00 0.00 WAT1 ATOM 1543 OH2 TIP3 5 -22.428 -18.983 -2.546 0.00 0.00 WAT1 ATOM 1544 H1 TIP3 5 -21.808 -19.660 -2.819 0.00 0.00 WAT1 ATOM 1545 H2 TIP3 5 -22.636 -19.201 -1.639 0.00 0.00 WAT1 ATOM 1546 OH2 TIP3 6 -20.774 -20.467 -3.785 0.00 0.00 WAT1 ATOM 1547 H1 TIP3 6 -20.349 -21.174 -4.271 0.00 0.00 WAT1 ATOM 1548 H2 TIP3 6 -20.457 -19.666 -4.203 0.00 0.00 WAT1 ATOM 1549 OH2 TIP3 7 -15.375 -21.319 4.777 0.00 0.00 WAT1 ATOM 1550 H1 TIP3 7 -15.424 -22.274 4.741 0.00 0.00 WAT1 ATOM 1551 H2 TIP3 7 -16.201 -21.051 5.180 0.00 0.00 WAT1 ATOM 1552 OH2 TIP3 8 -23.982 -17.973 -6.540 0.00 0.00 WAT1 ATOM 1553 H1 TIP3 8 -24.056 -18.094 -7.486 0.00 0.00 WAT1 ATOM 1554 H2 TIP3 8 -23.948 -17.023 -6.421 0.00 0.00 WAT1 ATOM 1555 OH2 TIP3 9 -21.210 -18.893 -6.788 0.00 0.00 WAT1 ATOM 1556 H1 TIP3 9 -22.146 -18.793 -6.610 0.00 0.00 WAT1 ATOM 1557 H2 TIP3 9 -20.931 -19.602 -6.210 0.00 0.00 WAT1 ATOM 1558 OH2 TIP3 10 -18.093 -17.451 5.884 0.00 0.00 WAT1 ATOM 1559 H1 TIP3 10 -17.893 -17.027 5.050 0.00 0.00 WAT1 ATOM 1560 H2 TIP3 10 -17.437 -17.108 6.492 0.00 0.00 WAT1 ATOM 1561 OH2 TIP3 11 -15.830 -24.278 4.720 0.00 0.00 WAT1 ATOM 1562 H1 TIP3 11 -16.681 -24.040 4.354 0.00 0.00 WAT1 ATOM 1563 H2 TIP3 11 -15.240 -24.295 3.967 0.00 0.00 WAT1 ATOM 1564 OH2 TIP3 12 -19.649 -19.693 3.565 0.00 0.00 WAT1 ATOM 1565 H1 TIP3 12 -20.252 -20.248 3.070 0.00 0.00 WAT1 ATOM 1566 H2 TIP3 12 -19.369 -19.026 2.938 0.00 0.00 WAT1 ATOM 1567 OH2 TIP3 13 -15.602 -18.836 -9.630 0.00 0.00 WAT1 ATOM 1568 H1 TIP3 13 -14.859 -18.250 -9.770 0.00 0.00 WAT1 ATOM 1569 H2 TIP3 13 -16.297 -18.268 -9.296 0.00 0.00 WAT1 ATOM 1570 OH2 TIP3 14 -18.380 -19.439 -0.468 0.00 0.00 WAT1 ATOM 1571 H1 TIP3 14 -18.535 -18.761 -1.125 0.00 0.00 WAT1 ATOM 1572 H2 TIP3 14 -17.448 -19.367 -0.265 0.00 0.00 WAT1 ATOM 1573 OH2 TIP3 15 -15.664 -18.789 -0.240 0.00 0.00 WAT1 ATOM 1574 H1 TIP3 15 -15.686 -18.604 0.700 0.00 0.00 WAT1 ATOM 1575 H2 TIP3 15 -14.974 -18.220 -0.581 0.00 0.00 WAT1 ATOM 1576 OH2 TIP3 16 -16.101 -19.222 2.682 0.00 0.00 WAT1 ATOM 1577 H1 TIP3 16 -16.587 -19.957 2.312 0.00 0.00 WAT1 ATOM 1578 H2 TIP3 16 -15.552 -19.615 3.361 0.00 0.00 WAT1 ATOM 1579 OH2 TIP3 17 -17.649 -23.432 7.321 0.00 0.00 WAT1 ATOM 1580 H1 TIP3 17 -18.516 -23.537 7.715 0.00 0.00 WAT1 ATOM 1581 H2 TIP3 17 -17.274 -22.673 7.768 0.00 0.00 WAT1 ATOM 1582 OH2 TIP3 18 -17.709 -21.459 1.913 0.00 0.00 WAT1 ATOM 1583 H1 TIP3 18 -18.357 -21.134 2.539 0.00 0.00 WAT1 ATOM 1584 H2 TIP3 18 -18.227 -21.899 1.239 0.00 0.00 WAT1 ATOM 1585 OH2 TIP3 19 -18.925 -18.699 -4.668 0.00 0.00 WAT1 ATOM 1586 H1 TIP3 19 -18.273 -19.046 -5.276 0.00 0.00 WAT1 ATOM 1587 H2 TIP3 19 -18.415 -18.210 -4.021 0.00 0.00 WAT1 ATOM 1588 OH2 TIP3 20 -21.931 -18.111 4.338 0.00 0.00 WAT1 ATOM 1589 H1 TIP3 20 -21.254 -18.743 4.098 0.00 0.00 WAT1 ATOM 1590 H2 TIP3 20 -21.608 -17.709 5.146 0.00 0.00 WAT1 ATOM 1591 OH2 TIP3 21 -21.680 -19.173 1.333 0.00 0.00 WAT1 ATOM 1592 H1 TIP3 21 -22.584 -19.008 1.067 0.00 0.00 WAT1 ATOM 1593 H2 TIP3 21 -21.251 -18.320 1.267 0.00 0.00 WAT1 ATOM 1594 OH2 TIP3 22 -19.075 -17.603 1.627 0.00 0.00 WAT1 ATOM 1595 H1 TIP3 22 -19.257 -16.687 1.417 0.00 0.00 WAT1 ATOM 1596 H2 TIP3 22 -18.899 -18.013 0.780 0.00 0.00 WAT1 ATOM 1597 OH2 TIP3 23 -16.946 -18.919 -6.659 0.00 0.00 WAT1 ATOM 1598 H1 TIP3 23 -17.140 -19.667 -7.225 0.00 0.00 WAT1 ATOM 1599 H2 TIP3 23 -16.985 -18.161 -7.243 0.00 0.00 WAT1 ATOM 1600 OH2 TIP3 24 -17.727 -20.168 5.491 0.00 0.00 WAT1 ATOM 1601 H1 TIP3 24 -18.510 -20.354 4.970 0.00 0.00 WAT1 ATOM 1602 H2 TIP3 24 -17.800 -19.239 5.707 0.00 0.00 WAT1 ATOM 1603 OH2 TIP3 25 -19.616 -22.566 13.579 0.00 0.00 WAT1 ATOM 1604 H1 TIP3 25 -19.873 -23.256 12.968 0.00 0.00 WAT1 ATOM 1605 H2 TIP3 25 -19.544 -23.009 14.425 0.00 0.00 WAT1 ATOM 1606 OH2 TIP3 26 -20.880 -18.819 9.319 0.00 0.00 WAT1 ATOM 1607 H1 TIP3 26 -20.505 -19.563 8.848 0.00 0.00 WAT1 ATOM 1608 H2 TIP3 26 -20.876 -19.089 10.236 0.00 0.00 WAT1 ATOM 1609 OH2 TIP3 27 -21.210 -18.893 12.068 0.00 0.00 WAT1 ATOM 1610 H1 TIP3 27 -22.146 -18.793 12.247 0.00 0.00 WAT1 ATOM 1611 H2 TIP3 27 -20.931 -19.602 12.646 0.00 0.00 WAT1 ATOM 1612 OH2 TIP3 28 -17.498 -21.292 11.204 0.00 0.00 WAT1 ATOM 1613 H1 TIP3 28 -17.870 -22.118 11.514 0.00 0.00 WAT1 ATOM 1614 H2 TIP3 28 -17.221 -21.475 10.308 0.00 0.00 WAT1 ATOM 1615 OH2 TIP3 29 -20.105 -23.316 9.026 0.00 0.00 WAT1 ATOM 1616 H1 TIP3 29 -19.753 -23.696 9.829 0.00 0.00 WAT1 ATOM 1617 H2 TIP3 29 -21.055 -23.409 9.111 0.00 0.00 WAT1 ATOM 1618 OH2 TIP3 30 -19.373 -20.524 7.845 0.00 0.00 WAT1 ATOM 1619 H1 TIP3 30 -19.090 -21.318 8.298 0.00 0.00 WAT1 ATOM 1620 H2 TIP3 30 -18.633 -20.291 7.284 0.00 0.00 WAT1 ATOM 1621 OH2 TIP3 31 -16.808 -26.044 7.716 0.00 0.00 WAT1 ATOM 1622 H1 TIP3 31 -17.081 -26.469 6.902 0.00 0.00 WAT1 ATOM 1623 H2 TIP3 31 -16.768 -25.113 7.498 0.00 0.00 WAT1 ATOM 1624 OH2 TIP3 32 -15.664 -18.789 18.617 0.00 0.00 WAT1 ATOM 1625 H1 TIP3 32 -15.686 -18.604 19.556 0.00 0.00 WAT1 ATOM 1626 H2 TIP3 32 -14.974 -18.220 18.276 0.00 0.00 WAT1 ATOM 1627 OH2 TIP3 33 -16.349 -25.175 11.691 0.00 0.00 WAT1 ATOM 1628 H1 TIP3 33 -15.498 -24.754 11.819 0.00 0.00 WAT1 ATOM 1629 H2 TIP3 33 -16.343 -25.915 12.299 0.00 0.00 WAT1 ATOM 1630 OH2 TIP3 34 -18.925 -18.699 14.189 0.00 0.00 WAT1 ATOM 1631 H1 TIP3 34 -18.273 -19.046 13.581 0.00 0.00 WAT1 ATOM 1632 H2 TIP3 34 -18.415 -18.210 14.835 0.00 0.00 WAT1 ATOM 1633 OH2 TIP3 35 -16.946 -18.919 12.197 0.00 0.00 WAT1 ATOM 1634 H1 TIP3 35 -17.140 -19.667 11.631 0.00 0.00 WAT1 ATOM 1635 H2 TIP3 35 -16.985 -18.161 11.613 0.00 0.00 WAT1 ATOM 1636 OH2 TIP3 36 -19.538 -5.232 -21.614 0.00 0.00 WAT1 ATOM 1637 H1 TIP3 36 -19.980 -5.952 -21.165 0.00 0.00 WAT1 ATOM 1638 H2 TIP3 36 -19.552 -4.511 -20.985 0.00 0.00 WAT1 ATOM 1639 OH2 TIP3 37 -21.715 -11.344 -19.183 0.00 0.00 WAT1 ATOM 1640 H1 TIP3 37 -21.572 -12.291 -19.162 0.00 0.00 WAT1 ATOM 1641 H2 TIP3 37 -21.821 -11.137 -20.111 0.00 0.00 WAT1 ATOM 1642 OH2 TIP3 38 -19.074 -13.821 -21.529 0.00 0.00 WAT1 ATOM 1643 H1 TIP3 38 -19.288 -14.587 -20.997 0.00 0.00 WAT1 ATOM 1644 H2 TIP3 38 -18.418 -13.349 -21.015 0.00 0.00 WAT1 ATOM 1645 OH2 TIP3 39 -19.026 -3.392 -19.267 0.00 0.00 WAT1 ATOM 1646 H1 TIP3 39 -19.968 -3.334 -19.105 0.00 0.00 WAT1 ATOM 1647 H2 TIP3 39 -18.751 -2.486 -19.404 0.00 0.00 WAT1 ATOM 1648 OH2 TIP3 40 -18.727 -15.106 -17.849 0.00 0.00 WAT1 ATOM 1649 H1 TIP3 40 -19.462 -14.495 -17.887 0.00 0.00 WAT1 ATOM 1650 H2 TIP3 40 -18.043 -14.691 -18.375 0.00 0.00 WAT1 ATOM 1651 OH2 TIP3 41 -17.930 -5.144 -15.655 0.00 0.00 WAT1 ATOM 1652 H1 TIP3 41 -17.790 -5.735 -16.395 0.00 0.00 WAT1 ATOM 1653 H2 TIP3 41 -17.762 -4.271 -16.011 0.00 0.00 WAT1 ATOM 1654 OH2 TIP3 42 -20.154 -9.798 -15.863 0.00 0.00 WAT1 ATOM 1655 H1 TIP3 42 -20.074 -9.035 -15.291 0.00 0.00 WAT1 ATOM 1656 H2 TIP3 42 -20.755 -9.519 -16.554 0.00 0.00 WAT1 ATOM 1657 OH2 TIP3 43 -20.465 -12.638 -15.377 0.00 0.00 WAT1 ATOM 1658 H1 TIP3 43 -20.980 -12.764 -14.581 0.00 0.00 WAT1 ATOM 1659 H2 TIP3 43 -20.620 -11.726 -15.622 0.00 0.00 WAT1 ATOM 1660 OH2 TIP3 44 -23.729 -10.338 -13.293 0.00 0.00 WAT1 ATOM 1661 H1 TIP3 44 -24.291 -11.042 -12.973 0.00 0.00 WAT1 ATOM 1662 H2 TIP3 44 -22.902 -10.458 -12.826 0.00 0.00 WAT1 ATOM 1663 OH2 TIP3 45 -22.562 -9.429 -17.296 0.00 0.00 WAT1 ATOM 1664 H1 TIP3 45 -22.239 -10.060 -17.939 0.00 0.00 WAT1 ATOM 1665 H2 TIP3 45 -23.003 -9.964 -16.636 0.00 0.00 WAT1 ATOM 1666 OH2 TIP3 46 -18.093 1.405 -12.971 0.00 0.00 WAT1 ATOM 1667 H1 TIP3 46 -17.893 1.829 -13.806 0.00 0.00 WAT1 ATOM 1668 H2 TIP3 46 -17.437 1.748 -12.364 0.00 0.00 WAT1 ATOM 1669 OH2 TIP3 47 -18.145 -6.980 -17.741 0.00 0.00 WAT1 ATOM 1670 H1 TIP3 47 -17.503 -6.523 -18.284 0.00 0.00 WAT1 ATOM 1671 H2 TIP3 47 -18.974 -6.867 -18.203 0.00 0.00 WAT1 ATOM 1672 OH2 TIP3 48 -21.524 -3.467 -15.339 0.00 0.00 WAT1 ATOM 1673 H1 TIP3 48 -22.425 -3.284 -15.607 0.00 0.00 WAT1 ATOM 1674 H2 TIP3 48 -21.491 -3.208 -14.418 0.00 0.00 WAT1 ATOM 1675 OH2 TIP3 49 -20.337 -7.628 -19.485 0.00 0.00 WAT1 ATOM 1676 H1 TIP3 49 -21.265 -7.860 -19.512 0.00 0.00 WAT1 ATOM 1677 H2 TIP3 49 -19.887 -8.405 -19.816 0.00 0.00 WAT1 ATOM 1678 OH2 TIP3 50 -19.649 -0.837 -15.291 0.00 0.00 WAT1 ATOM 1679 H1 TIP3 50 -20.252 -1.392 -15.787 0.00 0.00 WAT1 ATOM 1680 H2 TIP3 50 -19.369 -0.170 -15.918 0.00 0.00 WAT1 ATOM 1681 OH2 TIP3 51 -19.466 -9.839 -20.947 0.00 0.00 WAT1 ATOM 1682 H1 TIP3 51 -20.264 -10.254 -21.276 0.00 0.00 WAT1 ATOM 1683 H2 TIP3 51 -19.021 -10.530 -20.456 0.00 0.00 WAT1 ATOM 1684 OH2 TIP3 52 -18.380 -0.583 -19.325 0.00 0.00 WAT1 ATOM 1685 H1 TIP3 52 -18.535 0.095 -19.982 0.00 0.00 WAT1 ATOM 1686 H2 TIP3 52 -17.448 -0.511 -19.121 0.00 0.00 WAT1 ATOM 1687 OH2 TIP3 53 -21.492 -2.613 -12.747 0.00 0.00 WAT1 ATOM 1688 H1 TIP3 53 -21.843 -3.469 -12.505 0.00 0.00 WAT1 ATOM 1689 H2 TIP3 53 -20.765 -2.470 -12.140 0.00 0.00 WAT1 ATOM 1690 OH2 TIP3 54 -20.369 -6.216 -15.326 0.00 0.00 WAT1 ATOM 1691 H1 TIP3 54 -19.623 -5.628 -15.447 0.00 0.00 WAT1 ATOM 1692 H2 TIP3 54 -21.126 -5.634 -15.264 0.00 0.00 WAT1 ATOM 1693 OH2 TIP3 55 -22.960 -7.422 -12.070 0.00 0.00 WAT1 ATOM 1694 H1 TIP3 55 -22.007 -7.338 -12.098 0.00 0.00 WAT1 ATOM 1695 H2 TIP3 55 -23.120 -8.133 -11.451 0.00 0.00 WAT1 ATOM 1696 OH2 TIP3 56 -21.230 -10.914 -11.505 0.00 0.00 WAT1 ATOM 1697 H1 TIP3 56 -21.038 -11.845 -11.616 0.00 0.00 WAT1 ATOM 1698 H2 TIP3 56 -20.373 -10.489 -11.515 0.00 0.00 WAT1 ATOM 1699 OH2 TIP3 57 -19.913 -8.125 -13.427 0.00 0.00 WAT1 ATOM 1700 H1 TIP3 57 -20.195 -7.416 -14.005 0.00 0.00 WAT1 ATOM 1701 H2 TIP3 57 -18.971 -8.198 -13.578 0.00 0.00 WAT1 ATOM 1702 OH2 TIP3 58 -22.442 -13.263 -13.703 0.00 0.00 WAT1 ATOM 1703 H1 TIP3 58 -23.390 -13.231 -13.570 0.00 0.00 WAT1 ATOM 1704 H2 TIP3 58 -22.130 -13.888 -13.049 0.00 0.00 WAT1 ATOM 1705 OH2 TIP3 59 -20.808 -14.629 -11.697 0.00 0.00 WAT1 ATOM 1706 H1 TIP3 59 -20.905 -15.581 -11.704 0.00 0.00 WAT1 ATOM 1707 H2 TIP3 59 -21.130 -14.360 -10.836 0.00 0.00 WAT1 ATOM 1708 OH2 TIP3 60 -15.664 0.067 -19.096 0.00 0.00 WAT1 ATOM 1709 H1 TIP3 60 -15.686 0.252 -18.157 0.00 0.00 WAT1 ATOM 1710 H2 TIP3 60 -14.974 0.636 -19.436 0.00 0.00 WAT1 ATOM 1711 OH2 TIP3 61 -16.101 -0.366 -16.174 0.00 0.00 WAT1 ATOM 1712 H1 TIP3 61 -16.587 -1.101 -16.544 0.00 0.00 WAT1 ATOM 1713 H2 TIP3 61 -15.552 -0.759 -15.495 0.00 0.00 WAT1 ATOM 1714 OH2 TIP3 62 -15.955 -8.266 -24.197 0.00 0.00 WAT1 ATOM 1715 H1 TIP3 62 -16.681 -8.745 -23.799 0.00 0.00 WAT1 ATOM 1716 H2 TIP3 62 -15.373 -8.060 -23.465 0.00 0.00 WAT1 ATOM 1717 OH2 TIP3 63 -17.709 -2.603 -16.942 0.00 0.00 WAT1 ATOM 1718 H1 TIP3 63 -18.357 -2.278 -16.317 0.00 0.00 WAT1 ATOM 1719 H2 TIP3 63 -18.227 -3.043 -17.617 0.00 0.00 WAT1 ATOM 1720 OH2 TIP3 64 -18.168 -9.745 -23.634 0.00 0.00 WAT1 ATOM 1721 H1 TIP3 64 -18.318 -10.690 -23.654 0.00 0.00 WAT1 ATOM 1722 H2 TIP3 64 -18.521 -9.464 -22.790 0.00 0.00 WAT1 ATOM 1723 OH2 TIP3 65 -17.846 -11.581 -19.736 0.00 0.00 WAT1 ATOM 1724 H1 TIP3 65 -16.913 -11.369 -19.770 0.00 0.00 WAT1 ATOM 1725 H2 TIP3 65 -18.081 -11.479 -18.813 0.00 0.00 WAT1 ATOM 1726 OH2 TIP3 66 -15.534 -16.864 -11.606 0.00 0.00 WAT1 ATOM 1727 H1 TIP3 66 -15.184 -17.518 -12.212 0.00 0.00 WAT1 ATOM 1728 H2 TIP3 66 -15.387 -16.027 -12.046 0.00 0.00 WAT1 ATOM 1729 OH2 TIP3 67 -17.013 -16.665 -15.438 0.00 0.00 WAT1 ATOM 1730 H1 TIP3 67 -17.826 -16.340 -15.826 0.00 0.00 WAT1 ATOM 1731 H2 TIP3 67 -16.779 -17.425 -15.971 0.00 0.00 WAT1 ATOM 1732 OH2 TIP3 68 -19.075 1.253 -17.229 0.00 0.00 WAT1 ATOM 1733 H1 TIP3 68 -19.257 2.169 -17.439 0.00 0.00 WAT1 ATOM 1734 H2 TIP3 68 -18.899 0.843 -18.075 0.00 0.00 WAT1 ATOM 1735 OH2 TIP3 69 -20.904 -17.385 -12.058 0.00 0.00 WAT1 ATOM 1736 H1 TIP3 69 -20.828 -17.811 -11.204 0.00 0.00 WAT1 ATOM 1737 H2 TIP3 69 -20.011 -17.371 -12.400 0.00 0.00 WAT1 ATOM 1738 OH2 TIP3 70 -17.727 -1.312 -13.365 0.00 0.00 WAT1 ATOM 1739 H1 TIP3 70 -18.510 -1.498 -13.886 0.00 0.00 WAT1 ATOM 1740 H2 TIP3 70 -17.800 -0.383 -13.148 0.00 0.00 WAT1 ATOM 1741 OH2 TIP3 71 -22.178 -7.426 -4.479 0.00 0.00 WAT1 ATOM 1742 H1 TIP3 71 -22.088 -6.482 -4.611 0.00 0.00 WAT1 ATOM 1743 H2 TIP3 71 -22.817 -7.701 -5.137 0.00 0.00 WAT1 ATOM 1744 OH2 TIP3 72 -19.538 -5.232 -2.758 0.00 0.00 WAT1 ATOM 1745 H1 TIP3 72 -19.980 -5.952 -2.308 0.00 0.00 WAT1 ATOM 1746 H2 TIP3 72 -19.552 -4.511 -2.128 0.00 0.00 WAT1 ATOM 1747 OH2 TIP3 73 -29.953 -4.106 -0.932 0.00 0.00 WAT1 ATOM 1748 H1 TIP3 73 -30.323 -4.908 -1.301 0.00 0.00 WAT1 ATOM 1749 H2 TIP3 73 -29.012 -4.275 -0.885 0.00 0.00 WAT1 ATOM 1750 OH2 TIP3 74 -24.855 -5.738 -0.654 0.00 0.00 WAT1 ATOM 1751 H1 TIP3 74 -24.552 -6.424 -1.248 0.00 0.00 WAT1 ATOM 1752 H2 TIP3 74 -24.134 -5.620 -0.036 0.00 0.00 WAT1 ATOM 1753 OH2 TIP3 75 -26.784 -9.296 -3.077 0.00 0.00 WAT1 ATOM 1754 H1 TIP3 75 -26.168 -9.822 -2.567 0.00 0.00 WAT1 ATOM 1755 H2 TIP3 75 -27.370 -9.936 -3.481 0.00 0.00 WAT1 ATOM 1756 OH2 TIP3 76 -22.381 -4.825 -5.437 0.00 0.00 WAT1 ATOM 1757 H1 TIP3 76 -22.677 -5.147 -6.287 0.00 0.00 WAT1 ATOM 1758 H2 TIP3 76 -22.704 -3.925 -5.394 0.00 0.00 WAT1 ATOM 1759 OH2 TIP3 77 -27.181 -6.649 1.308 0.00 0.00 WAT1 ATOM 1760 H1 TIP3 77 -27.921 -6.051 1.410 0.00 0.00 WAT1 ATOM 1761 H2 TIP3 77 -26.466 -6.095 0.992 0.00 0.00 WAT1 ATOM 1762 OH2 TIP3 78 -28.773 -4.685 2.095 0.00 0.00 WAT1 ATOM 1763 H1 TIP3 78 -28.779 -3.806 1.716 0.00 0.00 WAT1 ATOM 1764 H2 TIP3 78 -29.627 -4.768 2.520 0.00 0.00 WAT1 ATOM 1765 OH2 TIP3 79 -18.727 -15.106 1.006 0.00 0.00 WAT1 ATOM 1766 H1 TIP3 79 -19.462 -14.495 0.969 0.00 0.00 WAT1 ATOM 1767 H2 TIP3 79 -18.043 -14.691 0.481 0.00 0.00 WAT1 ATOM 1768 OH2 TIP3 80 -20.774 -1.611 -3.785 0.00 0.00 WAT1 ATOM 1769 H1 TIP3 80 -20.349 -2.318 -4.271 0.00 0.00 WAT1 ATOM 1770 H2 TIP3 80 -20.457 -0.810 -4.203 0.00 0.00 WAT1 ATOM 1771 OH2 TIP3 81 -19.616 -3.710 -5.277 0.00 0.00 WAT1 ATOM 1772 H1 TIP3 81 -19.873 -4.400 -5.889 0.00 0.00 WAT1 ATOM 1773 H2 TIP3 81 -19.544 -4.153 -4.431 0.00 0.00 WAT1 ATOM 1774 OH2 TIP3 82 -23.457 -8.182 -7.027 0.00 0.00 WAT1 ATOM 1775 H1 TIP3 82 -24.169 -7.647 -7.379 0.00 0.00 WAT1 ATOM 1776 H2 TIP3 82 -22.765 -8.126 -7.688 0.00 0.00 WAT1 ATOM 1777 OH2 TIP3 83 -23.402 -9.724 -9.989 0.00 0.00 WAT1 ATOM 1778 H1 TIP3 83 -22.701 -9.702 -9.338 0.00 0.00 WAT1 ATOM 1779 H2 TIP3 83 -23.101 -10.352 -10.644 0.00 0.00 WAT1 ATOM 1780 OH2 TIP3 84 -20.050 -7.972 -6.075 0.00 0.00 WAT1 ATOM 1781 H1 TIP3 84 -20.782 -7.744 -5.502 0.00 0.00 WAT1 ATOM 1782 H2 TIP3 84 -19.604 -8.686 -5.620 0.00 0.00 WAT1 ATOM 1783 OH2 TIP3 85 -27.038 -3.914 -1.511 0.00 0.00 WAT1 ATOM 1784 H1 TIP3 85 -27.134 -4.492 -2.268 0.00 0.00 WAT1 ATOM 1785 H2 TIP3 85 -26.309 -4.285 -1.015 0.00 0.00 WAT1 ATOM 1786 OH2 TIP3 86 -28.038 -8.573 -0.559 0.00 0.00 WAT1 ATOM 1787 H1 TIP3 86 -27.474 -8.452 -1.322 0.00 0.00 WAT1 ATOM 1788 H2 TIP3 86 -27.720 -7.936 0.079 0.00 0.00 WAT1 ATOM 1789 OH2 TIP3 87 -27.159 -4.174 4.158 0.00 0.00 WAT1 ATOM 1790 H1 TIP3 87 -27.471 -3.392 4.614 0.00 0.00 WAT1 ATOM 1791 H2 TIP3 87 -27.809 -4.327 3.472 0.00 0.00 WAT1 ATOM 1792 OH2 TIP3 88 -21.180 -8.810 -8.390 0.00 0.00 WAT1 ATOM 1793 H1 TIP3 88 -20.601 -8.660 -7.643 0.00 0.00 WAT1 ATOM 1794 H2 TIP3 88 -20.765 -8.339 -9.114 0.00 0.00 WAT1 ATOM 1795 OH2 TIP3 89 -23.454 -2.073 -4.955 0.00 0.00 WAT1 ATOM 1796 H1 TIP3 89 -22.980 -1.778 -4.178 0.00 0.00 WAT1 ATOM 1797 H2 TIP3 89 -24.017 -1.335 -5.188 0.00 0.00 WAT1 ATOM 1798 OH2 TIP3 90 -28.919 -2.102 4.921 0.00 0.00 WAT1 ATOM 1799 H1 TIP3 90 -28.912 -2.238 3.974 0.00 0.00 WAT1 ATOM 1800 H2 TIP3 90 -29.835 -2.220 5.174 0.00 0.00 WAT1 ATOM 1801 OH2 TIP3 91 -17.482 -17.060 -8.578 0.00 0.00 WAT1 ATOM 1802 H1 TIP3 91 -18.381 -16.921 -8.283 0.00 0.00 WAT1 ATOM 1803 H2 TIP3 91 -17.230 -16.229 -8.979 0.00 0.00 WAT1 ATOM 1804 OH2 TIP3 92 -23.982 0.883 -6.540 0.00 0.00 WAT1 ATOM 1805 H1 TIP3 92 -24.056 0.762 -7.486 0.00 0.00 WAT1 ATOM 1806 H2 TIP3 92 -23.948 1.833 -6.421 0.00 0.00 WAT1 ATOM 1807 OH2 TIP3 93 -20.880 0.037 -9.537 0.00 0.00 WAT1 ATOM 1808 H1 TIP3 93 -20.505 -0.707 -10.008 0.00 0.00 WAT1 ATOM 1809 H2 TIP3 93 -20.876 -0.233 -8.620 0.00 0.00 WAT1 ATOM 1810 OH2 TIP3 94 -21.210 -0.037 -6.788 0.00 0.00 WAT1 ATOM 1811 H1 TIP3 94 -22.146 0.063 -6.610 0.00 0.00 WAT1 ATOM 1812 H2 TIP3 94 -20.931 -0.746 -6.210 0.00 0.00 WAT1 ATOM 1813 OH2 TIP3 95 -22.831 -10.513 -5.925 0.00 0.00 WAT1 ATOM 1814 H1 TIP3 95 -23.239 -9.698 -6.217 0.00 0.00 WAT1 ATOM 1815 H2 TIP3 95 -22.111 -10.653 -6.540 0.00 0.00 WAT1 ATOM 1816 OH2 TIP3 96 -23.729 -10.338 5.562 0.00 0.00 WAT1 ATOM 1817 H1 TIP3 96 -24.291 -11.042 5.883 0.00 0.00 WAT1 ATOM 1818 H2 TIP3 96 -22.902 -10.458 6.030 0.00 0.00 WAT1 ATOM 1819 OH2 TIP3 97 -25.785 -13.502 -3.656 0.00 0.00 WAT1 ATOM 1820 H1 TIP3 97 -26.696 -13.445 -3.367 0.00 0.00 WAT1 ATOM 1821 H2 TIP3 97 -25.280 -13.562 -2.845 0.00 0.00 WAT1 ATOM 1822 OH2 TIP3 98 -24.465 -10.714 -1.769 0.00 0.00 WAT1 ATOM 1823 H1 TIP3 98 -23.901 -11.261 -2.317 0.00 0.00 WAT1 ATOM 1824 H2 TIP3 98 -24.613 -11.236 -0.980 0.00 0.00 WAT1 ATOM 1825 OH2 TIP3 99 -25.838 -12.326 0.644 0.00 0.00 WAT1 ATOM 1826 H1 TIP3 99 -26.674 -11.872 0.755 0.00 0.00 WAT1 ATOM 1827 H2 TIP3 99 -25.315 -12.050 1.397 0.00 0.00 WAT1 ATOM 1828 OH2 TIP3 100 -21.396 -13.299 -9.472 0.00 0.00 WAT1 ATOM 1829 H1 TIP3 100 -22.335 -13.187 -9.623 0.00 0.00 WAT1 ATOM 1830 H2 TIP3 100 -21.099 -12.442 -9.165 0.00 0.00 WAT1 ATOM 1831 OH2 TIP3 101 -23.169 -4.654 -8.646 0.00 0.00 WAT1 ATOM 1832 H1 TIP3 101 -23.463 -3.828 -8.264 0.00 0.00 WAT1 ATOM 1833 H2 TIP3 101 -23.872 -5.274 -8.450 0.00 0.00 WAT1 ATOM 1834 OH2 TIP3 102 -26.145 -8.840 5.627 0.00 0.00 WAT1 ATOM 1835 H1 TIP3 102 -26.441 -9.006 4.732 0.00 0.00 WAT1 ATOM 1836 H2 TIP3 102 -25.213 -9.060 5.617 0.00 0.00 WAT1 ATOM 1837 OH2 TIP3 103 -27.794 -3.300 -4.497 0.00 0.00 WAT1 ATOM 1838 H1 TIP3 103 -27.268 -2.527 -4.697 0.00 0.00 WAT1 ATOM 1839 H2 TIP3 103 -28.675 -3.075 -4.798 0.00 0.00 WAT1 ATOM 1840 OH2 TIP3 104 -26.367 -5.637 -4.921 0.00 0.00 WAT1 ATOM 1841 H1 TIP3 104 -26.608 -4.712 -4.878 0.00 0.00 WAT1 ATOM 1842 H2 TIP3 104 -27.108 -6.096 -4.524 0.00 0.00 WAT1 ATOM 1843 OH2 TIP3 105 -20.105 -4.460 -9.831 0.00 0.00 WAT1 ATOM 1844 H1 TIP3 105 -19.753 -4.840 -9.027 0.00 0.00 WAT1 ATOM 1845 H2 TIP3 105 -21.055 -4.553 -9.745 0.00 0.00 WAT1 ATOM 1846 OH2 TIP3 106 -19.239 -5.787 -7.604 0.00 0.00 WAT1 ATOM 1847 H1 TIP3 106 -19.517 -6.515 -7.049 0.00 0.00 WAT1 ATOM 1848 H2 TIP3 106 -18.312 -5.668 -7.399 0.00 0.00 WAT1 ATOM 1849 OH2 TIP3 107 -22.793 -13.863 1.861 0.00 0.00 WAT1 ATOM 1850 H1 TIP3 107 -22.095 -13.789 2.512 0.00 0.00 WAT1 ATOM 1851 H2 TIP3 107 -23.174 -14.727 2.017 0.00 0.00 WAT1 ATOM 1852 OH2 TIP3 108 -22.009 -14.211 -7.041 0.00 0.00 WAT1 ATOM 1853 H1 TIP3 108 -21.788 -13.739 -7.845 0.00 0.00 WAT1 ATOM 1854 H2 TIP3 108 -21.451 -13.816 -6.370 0.00 0.00 WAT1 ATOM 1855 OH2 TIP3 109 -24.809 -12.483 -6.207 0.00 0.00 WAT1 ATOM 1856 H1 TIP3 109 -23.997 -11.979 -6.161 0.00 0.00 WAT1 ATOM 1857 H2 TIP3 109 -25.053 -12.628 -5.293 0.00 0.00 WAT1 ATOM 1858 OH2 TIP3 110 -24.273 -11.497 2.978 0.00 0.00 WAT1 ATOM 1859 H1 TIP3 110 -24.154 -10.923 3.736 0.00 0.00 WAT1 ATOM 1860 H2 TIP3 110 -23.617 -12.185 3.094 0.00 0.00 WAT1 ATOM 1861 OH2 TIP3 111 -23.925 -15.402 -5.268 0.00 0.00 WAT1 ATOM 1862 H1 TIP3 111 -24.271 -14.784 -4.623 0.00 0.00 WAT1 ATOM 1863 H2 TIP3 111 -23.267 -14.901 -5.749 0.00 0.00 WAT1 ATOM 1864 OH2 TIP3 112 -28.069 -0.993 7.380 0.00 0.00 WAT1 ATOM 1865 H1 TIP3 112 -27.300 -1.452 7.721 0.00 0.00 WAT1 ATOM 1866 H2 TIP3 112 -28.090 -1.219 6.450 0.00 0.00 WAT1 ATOM 1867 OH2 TIP3 113 -19.373 -1.668 -11.011 0.00 0.00 WAT1 ATOM 1868 H1 TIP3 113 -19.090 -2.462 -10.558 0.00 0.00 WAT1 ATOM 1869 H2 TIP3 113 -18.633 -1.435 -11.572 0.00 0.00 WAT1 ATOM 1870 OH2 TIP3 114 -26.104 -6.132 6.146 0.00 0.00 WAT1 ATOM 1871 H1 TIP3 114 -26.431 -5.861 5.289 0.00 0.00 WAT1 ATOM 1872 H2 TIP3 114 -25.951 -7.073 6.059 0.00 0.00 WAT1 ATOM 1873 OH2 TIP3 115 -23.066 -4.711 -11.418 0.00 0.00 WAT1 ATOM 1874 H1 TIP3 115 -23.334 -4.531 -10.518 0.00 0.00 WAT1 ATOM 1875 H2 TIP3 115 -23.271 -5.637 -11.550 0.00 0.00 WAT1 ATOM 1876 OH2 TIP3 116 -27.980 -9.893 3.507 0.00 0.00 WAT1 ATOM 1877 H1 TIP3 116 -28.598 -9.218 3.789 0.00 0.00 WAT1 ATOM 1878 H2 TIP3 116 -27.636 -9.572 2.674 0.00 0.00 WAT1 ATOM 1879 OH2 TIP3 117 -22.960 -7.422 6.786 0.00 0.00 WAT1 ATOM 1880 H1 TIP3 117 -22.007 -7.338 6.758 0.00 0.00 WAT1 ATOM 1881 H2 TIP3 117 -23.120 -8.133 7.405 0.00 0.00 WAT1 ATOM 1882 OH2 TIP3 118 -25.646 -8.729 2.323 0.00 0.00 WAT1 ATOM 1883 H1 TIP3 118 -24.895 -8.885 1.749 0.00 0.00 WAT1 ATOM 1884 H2 TIP3 118 -25.985 -7.877 2.047 0.00 0.00 WAT1 ATOM 1885 OH2 TIP3 119 -21.230 -10.914 7.351 0.00 0.00 WAT1 ATOM 1886 H1 TIP3 119 -21.038 -11.845 7.240 0.00 0.00 WAT1 ATOM 1887 H2 TIP3 119 -20.373 -10.489 7.341 0.00 0.00 WAT1 ATOM 1888 OH2 TIP3 120 -22.442 -13.263 5.153 0.00 0.00 WAT1 ATOM 1889 H1 TIP3 120 -23.390 -13.231 5.286 0.00 0.00 WAT1 ATOM 1890 H2 TIP3 120 -22.130 -13.888 5.807 0.00 0.00 WAT1 ATOM 1891 OH2 TIP3 121 -20.808 -14.629 7.159 0.00 0.00 WAT1 ATOM 1892 H1 TIP3 121 -20.905 -15.581 7.152 0.00 0.00 WAT1 ATOM 1893 H2 TIP3 121 -21.130 -14.360 8.020 0.00 0.00 WAT1 ATOM 1894 OH2 TIP3 122 -28.587 -1.939 2.134 0.00 0.00 WAT1 ATOM 1895 H1 TIP3 122 -29.012 -1.130 1.852 0.00 0.00 WAT1 ATOM 1896 H2 TIP3 122 -27.681 -1.854 1.833 0.00 0.00 WAT1 ATOM 1897 OH2 TIP3 123 -28.718 0.917 1.212 0.00 0.00 WAT1 ATOM 1898 H1 TIP3 123 -29.582 0.989 1.615 0.00 0.00 WAT1 ATOM 1899 H2 TIP3 123 -28.773 1.464 0.428 0.00 0.00 WAT1 ATOM 1900 OH2 TIP3 124 -29.629 -1.350 -2.252 0.00 0.00 WAT1 ATOM 1901 H1 TIP3 124 -29.848 -2.266 -2.083 0.00 0.00 WAT1 ATOM 1902 H2 TIP3 124 -28.805 -1.210 -1.786 0.00 0.00 WAT1 ATOM 1903 OH2 TIP3 125 -27.091 -0.880 -1.405 0.00 0.00 WAT1 ATOM 1904 H1 TIP3 125 -26.879 -1.768 -1.692 0.00 0.00 WAT1 ATOM 1905 H2 TIP3 125 -27.027 -0.914 -0.450 0.00 0.00 WAT1 ATOM 1906 OH2 TIP3 126 -23.582 -15.216 -2.260 0.00 0.00 WAT1 ATOM 1907 H1 TIP3 126 -24.258 -15.845 -2.004 0.00 0.00 WAT1 ATOM 1908 H2 TIP3 126 -23.018 -15.700 -2.862 0.00 0.00 WAT1 ATOM 1909 OH2 TIP3 127 -21.120 -16.625 -2.975 0.00 0.00 WAT1 ATOM 1910 H1 TIP3 127 -21.044 -16.530 -3.925 0.00 0.00 WAT1 ATOM 1911 H2 TIP3 127 -21.396 -17.533 -2.846 0.00 0.00 WAT1 ATOM 1912 OH2 TIP3 128 -19.767 -16.599 -7.283 0.00 0.00 WAT1 ATOM 1913 H1 TIP3 128 -20.470 -15.985 -7.492 0.00 0.00 WAT1 ATOM 1914 H2 TIP3 128 -20.212 -17.437 -7.152 0.00 0.00 WAT1 ATOM 1915 OH2 TIP3 129 -23.655 0.374 -9.339 0.00 0.00 WAT1 ATOM 1916 H1 TIP3 129 -22.788 0.740 -9.518 0.00 0.00 WAT1 ATOM 1917 H2 TIP3 129 -23.902 -0.066 -10.152 0.00 0.00 WAT1 ATOM 1918 OH2 TIP3 130 -20.904 -17.385 6.798 0.00 0.00 WAT1 ATOM 1919 H1 TIP3 130 -20.828 -17.811 7.652 0.00 0.00 WAT1 ATOM 1920 H2 TIP3 130 -20.011 -17.371 6.456 0.00 0.00 WAT1 ATOM 1921 OH2 TIP3 131 -22.178 -7.426 14.377 0.00 0.00 WAT1 ATOM 1922 H1 TIP3 131 -22.088 -6.482 14.245 0.00 0.00 WAT1 ATOM 1923 H2 TIP3 131 -22.817 -7.701 13.719 0.00 0.00 WAT1 ATOM 1924 OH2 TIP3 132 -19.538 -5.232 16.098 0.00 0.00 WAT1 ATOM 1925 H1 TIP3 132 -19.980 -5.952 16.547 0.00 0.00 WAT1 ATOM 1926 H2 TIP3 132 -19.552 -4.511 16.727 0.00 0.00 WAT1 ATOM 1927 OH2 TIP3 133 -16.193 -14.137 19.062 0.00 0.00 WAT1 ATOM 1928 H1 TIP3 133 -16.144 -13.527 19.799 0.00 0.00 WAT1 ATOM 1929 H2 TIP3 133 -15.767 -13.676 18.340 0.00 0.00 WAT1 ATOM 1930 OH2 TIP3 134 -20.838 -13.112 14.203 0.00 0.00 WAT1 ATOM 1931 H1 TIP3 134 -20.192 -13.441 14.828 0.00 0.00 WAT1 ATOM 1932 H2 TIP3 134 -20.328 -12.594 13.579 0.00 0.00 WAT1 ATOM 1933 OH2 TIP3 135 -15.801 -12.659 21.299 0.00 0.00 WAT1 ATOM 1934 H1 TIP3 135 -16.489 -12.001 21.203 0.00 0.00 WAT1 ATOM 1935 H2 TIP3 135 -15.786 -12.856 22.236 0.00 0.00 WAT1 ATOM 1936 OH2 TIP3 136 -22.381 -4.825 13.419 0.00 0.00 WAT1 ATOM 1937 H1 TIP3 136 -22.677 -5.147 12.569 0.00 0.00 WAT1 ATOM 1938 H2 TIP3 136 -22.704 -3.925 13.462 0.00 0.00 WAT1 ATOM 1939 OH2 TIP3 137 -19.074 -13.821 16.183 0.00 0.00 WAT1 ATOM 1940 H1 TIP3 137 -19.288 -14.587 16.715 0.00 0.00 WAT1 ATOM 1941 H2 TIP3 137 -18.418 -13.349 16.697 0.00 0.00 WAT1 ATOM 1942 OH2 TIP3 138 -19.026 -3.392 18.445 0.00 0.00 WAT1 ATOM 1943 H1 TIP3 138 -19.968 -3.334 18.607 0.00 0.00 WAT1 ATOM 1944 H2 TIP3 138 -18.751 -2.486 18.309 0.00 0.00 WAT1 ATOM 1945 OH2 TIP3 139 -20.774 -1.611 15.071 0.00 0.00 WAT1 ATOM 1946 H1 TIP3 139 -20.349 -2.318 14.585 0.00 0.00 WAT1 ATOM 1947 H2 TIP3 139 -20.457 -0.810 14.654 0.00 0.00 WAT1 ATOM 1948 OH2 TIP3 140 -19.616 -3.710 13.579 0.00 0.00 WAT1 ATOM 1949 H1 TIP3 140 -19.873 -4.400 12.968 0.00 0.00 WAT1 ATOM 1950 H2 TIP3 140 -19.544 -4.153 14.425 0.00 0.00 WAT1 ATOM 1951 OH2 TIP3 141 -17.930 -5.144 22.056 0.00 0.00 WAT1 ATOM 1952 H1 TIP3 141 -17.790 -5.735 21.318 0.00 0.00 WAT1 ATOM 1953 H2 TIP3 141 -17.762 -4.271 21.701 0.00 0.00 WAT1 ATOM 1954 OH2 TIP3 142 -23.402 -9.724 8.867 0.00 0.00 WAT1 ATOM 1955 H1 TIP3 142 -22.701 -9.702 9.518 0.00 0.00 WAT1 ATOM 1956 H2 TIP3 142 -23.101 -10.352 8.212 0.00 0.00 WAT1 ATOM 1957 OH2 TIP3 143 -16.087 -8.804 20.123 0.00 0.00 WAT1 ATOM 1958 H1 TIP3 143 -16.739 -8.109 20.212 0.00 0.00 WAT1 ATOM 1959 H2 TIP3 143 -15.623 -8.594 19.312 0.00 0.00 WAT1 ATOM 1960 OH2 TIP3 144 -20.050 -7.972 12.780 0.00 0.00 WAT1 ATOM 1961 H1 TIP3 144 -20.782 -7.744 13.354 0.00 0.00 WAT1 ATOM 1962 H2 TIP3 144 -19.604 -8.686 13.236 0.00 0.00 WAT1 ATOM 1963 OH2 TIP3 145 -21.730 -3.070 19.030 0.00 0.00 WAT1 ATOM 1964 H1 TIP3 145 -21.971 -2.408 19.678 0.00 0.00 WAT1 ATOM 1965 H2 TIP3 145 -21.928 -3.904 19.456 0.00 0.00 WAT1 ATOM 1966 OH2 TIP3 146 -21.180 -8.810 10.466 0.00 0.00 WAT1 ATOM 1967 H1 TIP3 146 -20.601 -8.660 11.213 0.00 0.00 WAT1 ATOM 1968 H2 TIP3 146 -20.765 -8.339 9.742 0.00 0.00 WAT1 ATOM 1969 OH2 TIP3 147 -17.482 -17.060 10.279 0.00 0.00 WAT1 ATOM 1970 H1 TIP3 147 -18.381 -16.921 10.573 0.00 0.00 WAT1 ATOM 1971 H2 TIP3 147 -17.230 -16.229 9.877 0.00 0.00 WAT1 ATOM 1972 OH2 TIP3 148 -15.375 -2.463 23.634 0.00 0.00 WAT1 ATOM 1973 H1 TIP3 148 -15.424 -3.418 23.596 0.00 0.00 WAT1 ATOM 1974 H2 TIP3 148 -16.201 -2.195 24.035 0.00 0.00 WAT1 ATOM 1975 OH2 TIP3 149 -23.982 0.883 12.316 0.00 0.00 WAT1 ATOM 1976 H1 TIP3 149 -24.056 0.762 11.370 0.00 0.00 WAT1 ATOM 1977 H2 TIP3 149 -23.948 1.833 12.434 0.00 0.00 WAT1 ATOM 1978 OH2 TIP3 150 -21.210 -0.037 12.068 0.00 0.00 WAT1 ATOM 1979 H1 TIP3 150 -22.146 0.063 12.247 0.00 0.00 WAT1 ATOM 1980 H2 TIP3 150 -20.931 -0.746 12.646 0.00 0.00 WAT1 ATOM 1981 OH2 TIP3 151 -19.703 -7.777 8.096 0.00 0.00 WAT1 ATOM 1982 H1 TIP3 151 -19.660 -8.000 7.165 0.00 0.00 WAT1 ATOM 1983 H2 TIP3 151 -18.854 -7.379 8.286 0.00 0.00 WAT1 ATOM 1984 OH2 TIP3 152 -18.145 -6.980 19.971 0.00 0.00 WAT1 ATOM 1985 H1 TIP3 152 -17.503 -6.523 19.428 0.00 0.00 WAT1 ATOM 1986 H2 TIP3 152 -18.974 -6.867 19.509 0.00 0.00 WAT1 ATOM 1987 OH2 TIP3 153 -21.396 -13.299 9.384 0.00 0.00 WAT1 ATOM 1988 H1 TIP3 153 -22.335 -13.187 9.233 0.00 0.00 WAT1 ATOM 1989 H2 TIP3 153 -21.099 -12.442 9.691 0.00 0.00 WAT1 ATOM 1990 OH2 TIP3 154 -20.678 -11.432 11.046 0.00 0.00 WAT1 ATOM 1991 H1 TIP3 154 -19.787 -11.569 11.364 0.00 0.00 WAT1 ATOM 1992 H2 TIP3 154 -20.622 -10.641 10.509 0.00 0.00 WAT1 ATOM 1993 OH2 TIP3 155 -23.169 -4.654 10.210 0.00 0.00 WAT1 ATOM 1994 H1 TIP3 155 -23.463 -3.828 10.593 0.00 0.00 WAT1 ATOM 1995 H2 TIP3 155 -23.872 -5.274 10.407 0.00 0.00 WAT1 ATOM 1996 OH2 TIP3 156 -15.830 -5.422 23.576 0.00 0.00 WAT1 ATOM 1997 H1 TIP3 156 -16.681 -5.184 23.209 0.00 0.00 WAT1 ATOM 1998 H2 TIP3 156 -15.240 -5.439 22.823 0.00 0.00 WAT1 ATOM 1999 OH2 TIP3 157 -20.337 -7.628 18.227 0.00 0.00 WAT1 ATOM 2000 H1 TIP3 157 -21.265 -7.860 18.200 0.00 0.00 WAT1 ATOM 2001 H2 TIP3 157 -19.887 -8.405 17.896 0.00 0.00 WAT1 ATOM 2002 OH2 TIP3 158 -19.649 -0.837 22.421 0.00 0.00 WAT1 ATOM 2003 H1 TIP3 158 -20.252 -1.392 21.925 0.00 0.00 WAT1 ATOM 2004 H2 TIP3 158 -19.369 -0.170 21.794 0.00 0.00 WAT1 ATOM 2005 OH2 TIP3 159 -19.239 -5.787 11.252 0.00 0.00 WAT1 ATOM 2006 H1 TIP3 159 -19.517 -6.515 11.808 0.00 0.00 WAT1 ATOM 2007 H2 TIP3 159 -18.312 -5.668 11.457 0.00 0.00 WAT1 ATOM 2008 OH2 TIP3 160 -26.015 -3.348 7.473 0.00 0.00 WAT1 ATOM 2009 H1 TIP3 160 -25.776 -4.096 6.925 0.00 0.00 WAT1 ATOM 2010 H2 TIP3 160 -26.284 -3.736 8.305 0.00 0.00 WAT1 ATOM 2011 OH2 TIP3 161 -24.340 -2.080 10.678 0.00 0.00 WAT1 ATOM 2012 H1 TIP3 161 -25.157 -1.583 10.730 0.00 0.00 WAT1 ATOM 2013 H2 TIP3 161 -23.811 -1.605 10.038 0.00 0.00 WAT1 ATOM 2014 OH2 TIP3 162 -19.466 -9.839 16.765 0.00 0.00 WAT1 ATOM 2015 H1 TIP3 162 -20.264 -10.254 16.436 0.00 0.00 WAT1 ATOM 2016 H2 TIP3 162 -19.021 -10.530 17.256 0.00 0.00 WAT1 ATOM 2017 OH2 TIP3 163 -18.380 -0.583 18.387 0.00 0.00 WAT1 ATOM 2018 H1 TIP3 163 -18.535 0.095 17.730 0.00 0.00 WAT1 ATOM 2019 H2 TIP3 163 -17.448 -0.511 18.590 0.00 0.00 WAT1 ATOM 2020 OH2 TIP3 164 -23.977 -1.485 7.611 0.00 0.00 WAT1 ATOM 2021 H1 TIP3 164 -24.620 -2.116 7.933 0.00 0.00 WAT1 ATOM 2022 H2 TIP3 164 -23.215 -2.016 7.379 0.00 0.00 WAT1 ATOM 2023 OH2 TIP3 165 -23.066 -4.711 7.438 0.00 0.00 WAT1 ATOM 2024 H1 TIP3 165 -23.334 -4.531 8.338 0.00 0.00 WAT1 ATOM 2025 H2 TIP3 165 -23.271 -5.637 7.306 0.00 0.00 WAT1 ATOM 2026 OH2 TIP3 166 -20.369 -6.216 22.386 0.00 0.00 WAT1 ATOM 2027 H1 TIP3 166 -19.623 -5.628 22.265 0.00 0.00 WAT1 ATOM 2028 H2 TIP3 166 -21.126 -5.634 22.448 0.00 0.00 WAT1 ATOM 2029 OH2 TIP3 167 -15.664 0.067 18.617 0.00 0.00 WAT1 ATOM 2030 H1 TIP3 167 -15.686 0.252 19.556 0.00 0.00 WAT1 ATOM 2031 H2 TIP3 167 -14.974 0.636 18.276 0.00 0.00 WAT1 ATOM 2032 OH2 TIP3 168 -16.101 -0.366 21.538 0.00 0.00 WAT1 ATOM 2033 H1 TIP3 168 -16.587 -1.101 21.168 0.00 0.00 WAT1 ATOM 2034 H2 TIP3 168 -15.552 -0.759 22.216 0.00 0.00 WAT1 ATOM 2035 OH2 TIP3 169 -17.649 -4.576 26.177 0.00 0.00 WAT1 ATOM 2036 H1 TIP3 169 -18.516 -4.681 26.571 0.00 0.00 WAT1 ATOM 2037 H2 TIP3 169 -17.274 -3.817 26.623 0.00 0.00 WAT1 ATOM 2038 OH2 TIP3 170 -17.709 -2.603 20.770 0.00 0.00 WAT1 ATOM 2039 H1 TIP3 170 -18.357 -2.278 21.395 0.00 0.00 WAT1 ATOM 2040 H2 TIP3 170 -18.227 -3.043 20.095 0.00 0.00 WAT1 ATOM 2041 OH2 TIP3 171 -18.168 -9.745 14.078 0.00 0.00 WAT1 ATOM 2042 H1 TIP3 171 -18.318 -10.690 14.058 0.00 0.00 WAT1 ATOM 2043 H2 TIP3 171 -18.521 -9.464 14.921 0.00 0.00 WAT1 ATOM 2044 OH2 TIP3 172 -17.312 -7.775 23.716 0.00 0.00 WAT1 ATOM 2045 H1 TIP3 172 -16.729 -8.509 23.907 0.00 0.00 WAT1 ATOM 2046 H2 TIP3 172 -16.748 -7.003 23.762 0.00 0.00 WAT1 ATOM 2047 OH2 TIP3 173 -15.815 -9.872 24.401 0.00 0.00 WAT1 ATOM 2048 H1 TIP3 173 -16.678 -10.251 24.236 0.00 0.00 WAT1 ATOM 2049 H2 TIP3 173 -15.211 -10.611 24.326 0.00 0.00 WAT1 ATOM 2050 OH2 TIP3 174 -18.457 -12.162 12.540 0.00 0.00 WAT1 ATOM 2051 H1 TIP3 174 -18.178 -13.069 12.665 0.00 0.00 WAT1 ATOM 2052 H2 TIP3 174 -17.699 -11.728 12.151 0.00 0.00 WAT1 ATOM 2053 OH2 TIP3 175 -17.846 -11.581 17.976 0.00 0.00 WAT1 ATOM 2054 H1 TIP3 175 -16.913 -11.369 17.942 0.00 0.00 WAT1 ATOM 2055 H2 TIP3 175 -18.081 -11.479 18.898 0.00 0.00 WAT1 ATOM 2056 OH2 TIP3 176 -17.817 -10.844 20.752 0.00 0.00 WAT1 ATOM 2057 H1 TIP3 176 -18.660 -10.576 21.117 0.00 0.00 WAT1 ATOM 2058 H2 TIP3 176 -17.373 -10.022 20.541 0.00 0.00 WAT1 ATOM 2059 OH2 TIP3 177 -17.843 -14.899 12.588 0.00 0.00 WAT1 ATOM 2060 H1 TIP3 177 -17.662 -15.348 13.414 0.00 0.00 WAT1 ATOM 2061 H2 TIP3 177 -18.444 -15.484 12.125 0.00 0.00 WAT1 ATOM 2062 OH2 TIP3 178 -18.925 0.157 14.189 0.00 0.00 WAT1 ATOM 2063 H1 TIP3 178 -18.273 -0.190 13.581 0.00 0.00 WAT1 ATOM 2064 H2 TIP3 178 -18.415 0.646 14.835 0.00 0.00 WAT1 ATOM 2065 OH2 TIP3 179 -19.075 1.253 20.483 0.00 0.00 WAT1 ATOM 2066 H1 TIP3 179 -19.257 2.169 20.273 0.00 0.00 WAT1 ATOM 2067 H2 TIP3 179 -18.899 0.843 19.637 0.00 0.00 WAT1 ATOM 2068 OH2 TIP3 180 -18.441 -17.109 16.709 0.00 0.00 WAT1 ATOM 2069 H1 TIP3 180 -17.837 -16.561 16.207 0.00 0.00 WAT1 ATOM 2070 H2 TIP3 180 -19.309 -16.789 16.468 0.00 0.00 WAT1 ATOM 2071 OH2 TIP3 181 -16.713 -15.970 15.043 0.00 0.00 WAT1 ATOM 2072 H1 TIP3 181 -16.102 -16.484 14.515 0.00 0.00 WAT1 ATOM 2073 H2 TIP3 181 -16.331 -15.092 15.066 0.00 0.00 WAT1 ATOM 2074 OH2 TIP3 182 -19.767 -16.599 11.573 0.00 0.00 WAT1 ATOM 2075 H1 TIP3 182 -20.470 -15.985 11.364 0.00 0.00 WAT1 ATOM 2076 H2 TIP3 182 -20.212 -17.437 11.704 0.00 0.00 WAT1 ATOM 2077 OH2 TIP3 183 -23.655 0.374 9.517 0.00 0.00 WAT1 ATOM 2078 H1 TIP3 183 -22.788 0.740 9.338 0.00 0.00 WAT1 ATOM 2079 H2 TIP3 183 -23.902 -0.066 8.704 0.00 0.00 WAT1 ATOM 2080 OH2 TIP3 184 -17.727 -1.312 24.346 0.00 0.00 WAT1 ATOM 2081 H1 TIP3 184 -18.510 -1.498 23.826 0.00 0.00 WAT1 ATOM 2082 H2 TIP3 184 -17.800 -0.383 24.564 0.00 0.00 WAT1 ATOM 2083 OH2 TIP3 185 -15.801 6.197 -16.413 0.00 0.00 WAT1 ATOM 2084 H1 TIP3 185 -16.489 6.855 -16.508 0.00 0.00 WAT1 ATOM 2085 H2 TIP3 185 -15.786 6.000 -15.476 0.00 0.00 WAT1 ATOM 2086 OH2 TIP3 186 -18.223 7.886 -13.598 0.00 0.00 WAT1 ATOM 2087 H1 TIP3 186 -18.630 8.367 -14.319 0.00 0.00 WAT1 ATOM 2088 H2 TIP3 186 -18.181 6.981 -13.905 0.00 0.00 WAT1 ATOM 2089 OH2 TIP3 187 -18.069 5.266 -15.043 0.00 0.00 WAT1 ATOM 2090 H1 TIP3 187 -18.985 5.529 -15.130 0.00 0.00 WAT1 ATOM 2091 H2 TIP3 187 -17.733 5.263 -15.939 0.00 0.00 WAT1 ATOM 2092 OH2 TIP3 188 -21.230 7.942 -11.505 0.00 0.00 WAT1 ATOM 2093 H1 TIP3 188 -21.038 7.011 -11.616 0.00 0.00 WAT1 ATOM 2094 H2 TIP3 188 -20.373 8.367 -11.515 0.00 0.00 WAT1 ATOM 2095 OH2 TIP3 189 -20.808 4.227 -11.697 0.00 0.00 WAT1 ATOM 2096 H1 TIP3 189 -20.905 3.275 -11.704 0.00 0.00 WAT1 ATOM 2097 H2 TIP3 189 -21.130 4.496 -10.836 0.00 0.00 WAT1 ATOM 2098 OH2 TIP3 190 -15.815 8.984 -13.311 0.00 0.00 WAT1 ATOM 2099 H1 TIP3 190 -16.678 8.605 -13.476 0.00 0.00 WAT1 ATOM 2100 H2 TIP3 190 -15.211 8.245 -13.386 0.00 0.00 WAT1 ATOM 2101 OH2 TIP3 191 -16.014 4.101 -13.258 0.00 0.00 WAT1 ATOM 2102 H1 TIP3 191 -16.931 4.372 -13.293 0.00 0.00 WAT1 ATOM 2103 H2 TIP3 191 -15.891 3.566 -14.041 0.00 0.00 WAT1 ATOM 2104 OH2 TIP3 192 -17.013 2.191 -15.438 0.00 0.00 WAT1 ATOM 2105 H1 TIP3 192 -17.826 2.516 -15.826 0.00 0.00 WAT1 ATOM 2106 H2 TIP3 192 -16.779 1.431 -15.971 0.00 0.00 WAT1 ATOM 2107 OH2 TIP3 193 -20.904 1.471 -12.058 0.00 0.00 WAT1 ATOM 2108 H1 TIP3 193 -20.828 1.045 -11.204 0.00 0.00 WAT1 ATOM 2109 H2 TIP3 193 -20.011 1.485 -12.400 0.00 0.00 WAT1 ATOM 2110 OH2 TIP3 194 -21.715 7.512 -0.327 0.00 0.00 WAT1 ATOM 2111 H1 TIP3 194 -21.572 6.565 -0.306 0.00 0.00 WAT1 ATOM 2112 H2 TIP3 194 -21.821 7.719 -1.256 0.00 0.00 WAT1 ATOM 2113 OH2 TIP3 195 -25.724 1.837 -1.527 0.00 0.00 WAT1 ATOM 2114 H1 TIP3 195 -25.841 0.888 -1.581 0.00 0.00 WAT1 ATOM 2115 H2 TIP3 195 -26.579 2.169 -1.254 0.00 0.00 WAT1 ATOM 2116 OH2 TIP3 196 -16.087 10.052 1.267 0.00 0.00 WAT1 ATOM 2117 H1 TIP3 196 -16.739 10.747 1.356 0.00 0.00 WAT1 ATOM 2118 H2 TIP3 196 -15.623 10.262 0.457 0.00 0.00 WAT1 ATOM 2119 OH2 TIP3 197 -20.050 10.884 -6.075 0.00 0.00 WAT1 ATOM 2120 H1 TIP3 197 -20.782 11.112 -5.502 0.00 0.00 WAT1 ATOM 2121 H2 TIP3 197 -19.604 10.170 -5.620 0.00 0.00 WAT1 ATOM 2122 OH2 TIP3 198 -20.154 9.058 2.993 0.00 0.00 WAT1 ATOM 2123 H1 TIP3 198 -20.074 9.821 3.565 0.00 0.00 WAT1 ATOM 2124 H2 TIP3 198 -20.755 9.337 2.302 0.00 0.00 WAT1 ATOM 2125 OH2 TIP3 199 -21.180 10.046 -8.390 0.00 0.00 WAT1 ATOM 2126 H1 TIP3 199 -20.601 10.196 -7.643 0.00 0.00 WAT1 ATOM 2127 H2 TIP3 199 -20.765 10.517 -9.114 0.00 0.00 WAT1 ATOM 2128 OH2 TIP3 200 -28.454 2.740 -0.750 0.00 0.00 WAT1 ATOM 2129 H1 TIP3 200 -29.316 2.653 -1.157 0.00 0.00 WAT1 ATOM 2130 H2 TIP3 200 -28.477 3.596 -0.323 0.00 0.00 WAT1 ATOM 2131 OH2 TIP3 201 -23.791 2.462 2.624 0.00 0.00 WAT1 ATOM 2132 H1 TIP3 201 -23.372 2.047 3.377 0.00 0.00 WAT1 ATOM 2133 H2 TIP3 201 -24.724 2.284 2.741 0.00 0.00 WAT1 ATOM 2134 OH2 TIP3 202 -24.130 4.955 -10.090 0.00 0.00 WAT1 ATOM 2135 H1 TIP3 202 -24.384 4.974 -9.168 0.00 0.00 WAT1 ATOM 2136 H2 TIP3 202 -24.387 4.083 -10.391 0.00 0.00 WAT1 ATOM 2137 OH2 TIP3 203 -22.831 8.343 -5.925 0.00 0.00 WAT1 ATOM 2138 H1 TIP3 203 -23.239 9.158 -6.217 0.00 0.00 WAT1 ATOM 2139 H2 TIP3 203 -22.111 8.203 -6.540 0.00 0.00 WAT1 ATOM 2140 OH2 TIP3 204 -23.729 8.518 5.562 0.00 0.00 WAT1 ATOM 2141 H1 TIP3 204 -24.291 7.814 5.883 0.00 0.00 WAT1 ATOM 2142 H2 TIP3 204 -22.902 8.398 6.030 0.00 0.00 WAT1 ATOM 2143 OH2 TIP3 205 -21.826 7.789 -3.111 0.00 0.00 WAT1 ATOM 2144 H1 TIP3 205 -22.021 8.394 -3.827 0.00 0.00 WAT1 ATOM 2145 H2 TIP3 205 -21.645 6.955 -3.546 0.00 0.00 WAT1 ATOM 2146 OH2 TIP3 206 -22.562 9.427 1.559 0.00 0.00 WAT1 ATOM 2147 H1 TIP3 206 -22.239 8.796 0.917 0.00 0.00 WAT1 ATOM 2148 H2 TIP3 206 -23.003 8.892 2.220 0.00 0.00 WAT1 ATOM 2149 OH2 TIP3 207 -21.380 4.589 -0.392 0.00 0.00 WAT1 ATOM 2150 H1 TIP3 207 -22.056 4.720 0.272 0.00 0.00 WAT1 ATOM 2151 H2 TIP3 207 -21.866 4.434 -1.202 0.00 0.00 WAT1 ATOM 2152 OH2 TIP3 208 -18.145 11.876 1.115 0.00 0.00 WAT1 ATOM 2153 H1 TIP3 208 -17.503 12.333 0.573 0.00 0.00 WAT1 ATOM 2154 H2 TIP3 208 -18.974 11.989 0.654 0.00 0.00 WAT1 ATOM 2155 OH2 TIP3 209 -21.396 5.557 -9.472 0.00 0.00 WAT1 ATOM 2156 H1 TIP3 209 -22.335 5.669 -9.623 0.00 0.00 WAT1 ATOM 2157 H2 TIP3 209 -21.099 6.414 -9.165 0.00 0.00 WAT1 ATOM 2158 OH2 TIP3 210 -20.678 7.424 -7.810 0.00 0.00 WAT1 ATOM 2159 H1 TIP3 210 -19.787 7.287 -7.492 0.00 0.00 WAT1 ATOM 2160 H2 TIP3 210 -20.622 8.215 -8.348 0.00 0.00 WAT1 ATOM 2161 OH2 TIP3 211 -15.830 13.434 4.720 0.00 0.00 WAT1 ATOM 2162 H1 TIP3 211 -16.681 13.672 4.354 0.00 0.00 WAT1 ATOM 2163 H2 TIP3 211 -15.240 13.417 3.967 0.00 0.00 WAT1 ATOM 2164 OH2 TIP3 212 -20.337 11.228 -0.629 0.00 0.00 WAT1 ATOM 2165 H1 TIP3 212 -21.265 10.996 -0.656 0.00 0.00 WAT1 ATOM 2166 H2 TIP3 212 -19.887 10.451 -0.960 0.00 0.00 WAT1 ATOM 2167 OH2 TIP3 213 -22.793 4.993 1.861 0.00 0.00 WAT1 ATOM 2168 H1 TIP3 213 -22.095 5.067 2.512 0.00 0.00 WAT1 ATOM 2169 H2 TIP3 213 -23.174 4.129 2.017 0.00 0.00 WAT1 ATOM 2170 OH2 TIP3 214 -22.009 4.645 -7.041 0.00 0.00 WAT1 ATOM 2171 H1 TIP3 214 -21.788 5.117 -7.845 0.00 0.00 WAT1 ATOM 2172 H2 TIP3 214 -21.451 5.040 -6.370 0.00 0.00 WAT1 ATOM 2173 OH2 TIP3 215 -24.809 6.373 -6.207 0.00 0.00 WAT1 ATOM 2174 H1 TIP3 215 -23.997 6.877 -6.161 0.00 0.00 WAT1 ATOM 2175 H2 TIP3 215 -25.053 6.228 -5.293 0.00 0.00 WAT1 ATOM 2176 OH2 TIP3 216 -24.273 7.359 2.978 0.00 0.00 WAT1 ATOM 2177 H1 TIP3 216 -24.154 7.933 3.736 0.00 0.00 WAT1 ATOM 2178 H2 TIP3 216 -23.617 6.671 3.094 0.00 0.00 WAT1 ATOM 2179 OH2 TIP3 217 -23.925 3.454 -5.268 0.00 0.00 WAT1 ATOM 2180 H1 TIP3 217 -24.271 4.072 -4.623 0.00 0.00 WAT1 ATOM 2181 H2 TIP3 217 -23.267 3.955 -5.749 0.00 0.00 WAT1 ATOM 2182 OH2 TIP3 218 -19.466 9.017 -2.091 0.00 0.00 WAT1 ATOM 2183 H1 TIP3 218 -20.264 8.602 -2.419 0.00 0.00 WAT1 ATOM 2184 H2 TIP3 218 -19.021 8.326 -1.599 0.00 0.00 WAT1 ATOM 2185 OH2 TIP3 219 -16.808 11.668 -11.140 0.00 0.00 WAT1 ATOM 2186 H1 TIP3 219 -17.081 11.243 -11.954 0.00 0.00 WAT1 ATOM 2187 H2 TIP3 219 -16.768 12.599 -11.357 0.00 0.00 WAT1 ATOM 2188 OH2 TIP3 220 -27.227 4.688 2.083 0.00 0.00 WAT1 ATOM 2189 H1 TIP3 220 -26.692 5.139 1.430 0.00 0.00 WAT1 ATOM 2190 H2 TIP3 220 -28.079 4.580 1.660 0.00 0.00 WAT1 ATOM 2191 OH2 TIP3 221 -21.230 7.942 7.351 0.00 0.00 WAT1 ATOM 2192 H1 TIP3 221 -21.038 7.011 7.240 0.00 0.00 WAT1 ATOM 2193 H2 TIP3 221 -20.373 8.367 7.341 0.00 0.00 WAT1 ATOM 2194 OH2 TIP3 222 -19.913 10.731 5.428 0.00 0.00 WAT1 ATOM 2195 H1 TIP3 222 -20.195 11.440 4.851 0.00 0.00 WAT1 ATOM 2196 H2 TIP3 222 -18.971 10.658 5.277 0.00 0.00 WAT1 ATOM 2197 OH2 TIP3 223 -26.422 2.144 2.515 0.00 0.00 WAT1 ATOM 2198 H1 TIP3 223 -26.520 3.091 2.408 0.00 0.00 WAT1 ATOM 2199 H2 TIP3 223 -27.165 1.772 2.039 0.00 0.00 WAT1 ATOM 2200 OH2 TIP3 224 -25.158 6.466 6.078 0.00 0.00 WAT1 ATOM 2201 H1 TIP3 224 -25.393 6.246 6.979 0.00 0.00 WAT1 ATOM 2202 H2 TIP3 224 -25.941 6.259 5.569 0.00 0.00 WAT1 ATOM 2203 OH2 TIP3 225 -22.442 5.593 5.153 0.00 0.00 WAT1 ATOM 2204 H1 TIP3 225 -23.390 5.625 5.286 0.00 0.00 WAT1 ATOM 2205 H2 TIP3 225 -22.130 4.968 5.807 0.00 0.00 WAT1 ATOM 2206 OH2 TIP3 226 -26.200 1.438 5.185 0.00 0.00 WAT1 ATOM 2207 H1 TIP3 226 -25.488 0.798 5.171 0.00 0.00 WAT1 ATOM 2208 H2 TIP3 226 -26.300 1.705 4.271 0.00 0.00 WAT1 ATOM 2209 OH2 TIP3 227 -25.846 3.121 7.240 0.00 0.00 WAT1 ATOM 2210 H1 TIP3 227 -25.977 2.645 6.418 0.00 0.00 WAT1 ATOM 2211 H2 TIP3 227 -26.446 3.865 7.184 0.00 0.00 WAT1 ATOM 2212 OH2 TIP3 228 -17.649 14.280 7.321 0.00 0.00 WAT1 ATOM 2213 H1 TIP3 228 -18.516 14.175 7.715 0.00 0.00 WAT1 ATOM 2214 H2 TIP3 228 -17.274 15.039 7.768 0.00 0.00 WAT1 ATOM 2215 OH2 TIP3 229 -16.349 12.537 -7.165 0.00 0.00 WAT1 ATOM 2216 H1 TIP3 229 -15.498 12.958 -7.037 0.00 0.00 WAT1 ATOM 2217 H2 TIP3 229 -16.343 11.797 -6.557 0.00 0.00 WAT1 ATOM 2218 OH2 TIP3 230 -15.955 10.590 -5.341 0.00 0.00 WAT1 ATOM 2219 H1 TIP3 230 -16.681 10.111 -4.944 0.00 0.00 WAT1 ATOM 2220 H2 TIP3 230 -15.373 10.796 -4.610 0.00 0.00 WAT1 ATOM 2221 OH2 TIP3 231 -16.196 13.375 -0.393 0.00 0.00 WAT1 ATOM 2222 H1 TIP3 231 -15.362 12.997 -0.674 0.00 0.00 WAT1 ATOM 2223 H2 TIP3 231 -16.084 14.318 -0.512 0.00 0.00 WAT1 ATOM 2224 OH2 TIP3 232 -15.687 10.491 -8.950 0.00 0.00 WAT1 ATOM 2225 H1 TIP3 232 -16.208 10.848 -9.669 0.00 0.00 WAT1 ATOM 2226 H2 TIP3 232 -15.720 11.166 -8.272 0.00 0.00 WAT1 ATOM 2227 OH2 TIP3 233 -17.337 7.731 -10.399 0.00 0.00 WAT1 ATOM 2228 H1 TIP3 233 -17.241 8.398 -11.079 0.00 0.00 WAT1 ATOM 2229 H2 TIP3 233 -17.477 6.915 -10.881 0.00 0.00 WAT1 ATOM 2230 OH2 TIP3 234 -18.168 9.111 -4.778 0.00 0.00 WAT1 ATOM 2231 H1 TIP3 234 -18.318 8.166 -4.798 0.00 0.00 WAT1 ATOM 2232 H2 TIP3 234 -18.521 9.392 -3.934 0.00 0.00 WAT1 ATOM 2233 OH2 TIP3 235 -17.312 11.081 4.861 0.00 0.00 WAT1 ATOM 2234 H1 TIP3 235 -16.729 10.347 5.052 0.00 0.00 WAT1 ATOM 2235 H2 TIP3 235 -16.748 11.853 4.906 0.00 0.00 WAT1 ATOM 2236 OH2 TIP3 236 -15.815 8.984 5.544 0.00 0.00 WAT1 ATOM 2237 H1 TIP3 236 -16.678 8.605 5.380 0.00 0.00 WAT1 ATOM 2238 H2 TIP3 236 -15.211 8.245 5.470 0.00 0.00 WAT1 ATOM 2239 OH2 TIP3 237 -18.090 5.139 -11.282 0.00 0.00 WAT1 ATOM 2240 H1 TIP3 237 -17.480 4.767 -10.646 0.00 0.00 WAT1 ATOM 2241 H2 TIP3 237 -18.927 4.717 -11.086 0.00 0.00 WAT1 ATOM 2242 OH2 TIP3 238 -23.582 3.640 -2.260 0.00 0.00 WAT1 ATOM 2243 H1 TIP3 238 -24.258 3.011 -2.004 0.00 0.00 WAT1 ATOM 2244 H2 TIP3 238 -23.018 3.156 -2.862 0.00 0.00 WAT1 ATOM 2245 OH2 TIP3 239 -26.677 2.201 -4.624 0.00 0.00 WAT1 ATOM 2246 H1 TIP3 239 -25.803 2.589 -4.655 0.00 0.00 WAT1 ATOM 2247 H2 TIP3 239 -26.812 1.986 -3.702 0.00 0.00 WAT1 ATOM 2248 OH2 TIP3 240 -21.120 2.231 -2.975 0.00 0.00 WAT1 ATOM 2249 H1 TIP3 240 -21.044 2.326 -3.925 0.00 0.00 WAT1 ATOM 2250 H2 TIP3 240 -21.396 1.323 -2.846 0.00 0.00 WAT1 ATOM 2251 OH2 TIP3 241 -25.533 4.281 -7.735 0.00 0.00 WAT1 ATOM 2252 H1 TIP3 241 -25.355 3.635 -7.052 0.00 0.00 WAT1 ATOM 2253 H2 TIP3 241 -25.587 5.115 -7.268 0.00 0.00 WAT1 ATOM 2254 OH2 TIP3 242 -20.838 5.744 14.203 0.00 0.00 WAT1 ATOM 2255 H1 TIP3 242 -20.192 5.415 14.828 0.00 0.00 WAT1 ATOM 2256 H2 TIP3 242 -20.328 6.262 13.579 0.00 0.00 WAT1 ATOM 2257 OH2 TIP3 243 -15.801 6.197 21.299 0.00 0.00 WAT1 ATOM 2258 H1 TIP3 243 -16.489 6.855 21.203 0.00 0.00 WAT1 ATOM 2259 H2 TIP3 243 -15.786 6.000 22.236 0.00 0.00 WAT1 ATOM 2260 OH2 TIP3 244 -19.074 5.035 16.183 0.00 0.00 WAT1 ATOM 2261 H1 TIP3 244 -19.288 4.269 16.715 0.00 0.00 WAT1 ATOM 2262 H2 TIP3 244 -18.418 5.507 16.697 0.00 0.00 WAT1 ATOM 2263 OH2 TIP3 245 -18.727 3.750 19.863 0.00 0.00 WAT1 ATOM 2264 H1 TIP3 245 -19.462 4.361 19.825 0.00 0.00 WAT1 ATOM 2265 H2 TIP3 245 -18.043 4.165 19.337 0.00 0.00 WAT1 ATOM 2266 OH2 TIP3 246 -23.457 10.674 11.829 0.00 0.00 WAT1 ATOM 2267 H1 TIP3 246 -24.169 11.209 11.477 0.00 0.00 WAT1 ATOM 2268 H2 TIP3 246 -22.765 10.730 11.169 0.00 0.00 WAT1 ATOM 2269 OH2 TIP3 247 -23.402 9.132 8.867 0.00 0.00 WAT1 ATOM 2270 H1 TIP3 247 -22.701 9.154 9.518 0.00 0.00 WAT1 ATOM 2271 H2 TIP3 247 -23.101 8.504 8.212 0.00 0.00 WAT1 ATOM 2272 OH2 TIP3 248 -16.087 10.052 20.123 0.00 0.00 WAT1 ATOM 2273 H1 TIP3 248 -16.739 10.747 20.212 0.00 0.00 WAT1 ATOM 2274 H2 TIP3 248 -15.623 10.262 19.312 0.00 0.00 WAT1 ATOM 2275 OH2 TIP3 249 -20.050 10.884 12.780 0.00 0.00 WAT1 ATOM 2276 H1 TIP3 249 -20.782 11.112 13.354 0.00 0.00 WAT1 ATOM 2277 H2 TIP3 249 -19.604 10.170 13.236 0.00 0.00 WAT1 ATOM 2278 OH2 TIP3 250 -21.180 10.046 10.466 0.00 0.00 WAT1 ATOM 2279 H1 TIP3 250 -20.601 10.196 11.213 0.00 0.00 WAT1 ATOM 2280 H2 TIP3 250 -20.765 10.517 9.742 0.00 0.00 WAT1 ATOM 2281 OH2 TIP3 251 -16.291 16.162 8.655 0.00 0.00 WAT1 ATOM 2282 H1 TIP3 251 -16.218 17.101 8.825 0.00 0.00 WAT1 ATOM 2283 H2 TIP3 251 -15.387 15.857 8.598 0.00 0.00 WAT1 ATOM 2284 OH2 TIP3 252 -19.703 11.079 8.096 0.00 0.00 WAT1 ATOM 2285 H1 TIP3 252 -19.660 10.856 7.165 0.00 0.00 WAT1 ATOM 2286 H2 TIP3 252 -18.854 11.477 8.286 0.00 0.00 WAT1 ATOM 2287 OH2 TIP3 253 -24.130 4.955 8.766 0.00 0.00 WAT1 ATOM 2288 H1 TIP3 253 -24.384 4.974 9.689 0.00 0.00 WAT1 ATOM 2289 H2 TIP3 253 -24.387 4.083 8.465 0.00 0.00 WAT1 ATOM 2290 OH2 TIP3 254 -22.831 8.343 12.931 0.00 0.00 WAT1 ATOM 2291 H1 TIP3 254 -23.239 9.158 12.639 0.00 0.00 WAT1 ATOM 2292 H2 TIP3 254 -22.111 8.203 12.316 0.00 0.00 WAT1 ATOM 2293 OH2 TIP3 255 -21.826 7.789 15.745 0.00 0.00 WAT1 ATOM 2294 H1 TIP3 255 -22.021 8.394 15.030 0.00 0.00 WAT1 ATOM 2295 H2 TIP3 255 -21.645 6.955 15.309 0.00 0.00 WAT1 ATOM 2296 OH2 TIP3 256 -21.380 4.589 18.463 0.00 0.00 WAT1 ATOM 2297 H1 TIP3 256 -22.056 4.720 19.128 0.00 0.00 WAT1 ATOM 2298 H2 TIP3 256 -21.866 4.434 17.654 0.00 0.00 WAT1 ATOM 2299 OH2 TIP3 257 -21.396 5.557 9.384 0.00 0.00 WAT1 ATOM 2300 H1 TIP3 257 -22.335 5.669 9.233 0.00 0.00 WAT1 ATOM 2301 H2 TIP3 257 -21.099 6.414 9.691 0.00 0.00 WAT1 ATOM 2302 OH2 TIP3 258 -20.678 7.424 11.046 0.00 0.00 WAT1 ATOM 2303 H1 TIP3 258 -19.787 7.287 11.364 0.00 0.00 WAT1 ATOM 2304 H2 TIP3 258 -20.622 8.215 10.509 0.00 0.00 WAT1 ATOM 2305 OH2 TIP3 259 -20.105 14.396 9.026 0.00 0.00 WAT1 ATOM 2306 H1 TIP3 259 -19.753 14.016 9.829 0.00 0.00 WAT1 ATOM 2307 H2 TIP3 259 -21.055 14.303 9.111 0.00 0.00 WAT1 ATOM 2308 OH2 TIP3 260 -19.239 13.069 11.252 0.00 0.00 WAT1 ATOM 2309 H1 TIP3 260 -19.517 12.341 11.808 0.00 0.00 WAT1 ATOM 2310 H2 TIP3 260 -18.312 13.188 11.457 0.00 0.00 WAT1 ATOM 2311 OH2 TIP3 261 -22.009 4.645 11.815 0.00 0.00 WAT1 ATOM 2312 H1 TIP3 261 -21.788 5.117 11.012 0.00 0.00 WAT1 ATOM 2313 H2 TIP3 261 -21.451 5.040 12.486 0.00 0.00 WAT1 ATOM 2314 OH2 TIP3 262 -23.925 3.454 13.588 0.00 0.00 WAT1 ATOM 2315 H1 TIP3 262 -24.271 4.072 14.232 0.00 0.00 WAT1 ATOM 2316 H2 TIP3 262 -23.267 3.955 13.107 0.00 0.00 WAT1 ATOM 2317 OH2 TIP3 263 -18.069 5.266 22.669 0.00 0.00 WAT1 ATOM 2318 H1 TIP3 263 -18.985 5.529 22.581 0.00 0.00 WAT1 ATOM 2319 H2 TIP3 263 -17.733 5.263 21.773 0.00 0.00 WAT1 ATOM 2320 OH2 TIP3 264 -19.466 9.017 16.765 0.00 0.00 WAT1 ATOM 2321 H1 TIP3 264 -20.264 8.602 16.436 0.00 0.00 WAT1 ATOM 2322 H2 TIP3 264 -19.021 8.326 17.256 0.00 0.00 WAT1 ATOM 2323 OH2 TIP3 265 -16.808 11.668 7.716 0.00 0.00 WAT1 ATOM 2324 H1 TIP3 265 -17.081 11.243 6.902 0.00 0.00 WAT1 ATOM 2325 H2 TIP3 265 -16.768 12.599 7.498 0.00 0.00 WAT1 ATOM 2326 OH2 TIP3 266 -16.349 12.537 11.691 0.00 0.00 WAT1 ATOM 2327 H1 TIP3 266 -15.498 12.958 11.819 0.00 0.00 WAT1 ATOM 2328 H2 TIP3 266 -16.343 11.797 12.299 0.00 0.00 WAT1 ATOM 2329 OH2 TIP3 267 -15.955 10.590 13.514 0.00 0.00 WAT1 ATOM 2330 H1 TIP3 267 -16.681 10.111 13.913 0.00 0.00 WAT1 ATOM 2331 H2 TIP3 267 -15.373 10.796 14.247 0.00 0.00 WAT1 ATOM 2332 OH2 TIP3 268 -18.168 9.111 14.078 0.00 0.00 WAT1 ATOM 2333 H1 TIP3 268 -18.318 8.166 14.058 0.00 0.00 WAT1 ATOM 2334 H2 TIP3 268 -18.521 9.392 14.921 0.00 0.00 WAT1 ATOM 2335 OH2 TIP3 269 -17.846 7.275 17.976 0.00 0.00 WAT1 ATOM 2336 H1 TIP3 269 -16.913 7.487 17.942 0.00 0.00 WAT1 ATOM 2337 H2 TIP3 269 -18.081 7.377 18.898 0.00 0.00 WAT1 ATOM 2338 OH2 TIP3 270 -17.817 8.012 20.752 0.00 0.00 WAT1 ATOM 2339 H1 TIP3 270 -18.660 8.280 21.117 0.00 0.00 WAT1 ATOM 2340 H2 TIP3 270 -17.373 8.834 20.541 0.00 0.00 WAT1 ATOM 2341 OH2 TIP3 271 -17.013 2.191 22.273 0.00 0.00 WAT1 ATOM 2342 H1 TIP3 271 -17.826 2.516 21.886 0.00 0.00 WAT1 ATOM 2343 H2 TIP3 271 -16.779 1.431 21.741 0.00 0.00 WAT1 ATOM 2344 OH2 TIP3 272 -18.441 1.747 16.709 0.00 0.00 WAT1 ATOM 2345 H1 TIP3 272 -17.837 2.295 16.207 0.00 0.00 WAT1 ATOM 2346 H2 TIP3 272 -19.309 2.067 16.468 0.00 0.00 WAT1 ATOM 2347 OH2 TIP3 273 -21.120 2.231 15.880 0.00 0.00 WAT1 ATOM 2348 H1 TIP3 273 -21.044 2.326 14.931 0.00 0.00 WAT1 ATOM 2349 H2 TIP3 273 -21.396 1.323 16.009 0.00 0.00 WAT1 ATOM 2350 OH2 TIP3 274 -10.064 -20.958 -13.934 0.00 0.00 WAT1 ATOM 2351 H1 TIP3 274 -10.056 -21.094 -14.883 0.00 0.00 WAT1 ATOM 2352 H2 TIP3 274 -10.979 -21.076 -13.682 0.00 0.00 WAT1 ATOM 2353 OH2 TIP3 275 -13.021 -20.655 -17.450 0.00 0.00 WAT1 ATOM 2354 H1 TIP3 275 -12.803 -21.587 -17.480 0.00 0.00 WAT1 ATOM 2355 H2 TIP3 275 -12.774 -20.381 -16.566 0.00 0.00 WAT1 ATOM 2356 OH2 TIP3 276 -13.809 -18.768 -13.096 0.00 0.00 WAT1 ATOM 2357 H1 TIP3 276 -13.270 -18.985 -12.337 0.00 0.00 WAT1 ATOM 2358 H2 TIP3 276 -14.291 -19.574 -13.287 0.00 0.00 WAT1 ATOM 2359 OH2 TIP3 277 -9.213 -19.849 -11.476 0.00 0.00 WAT1 ATOM 2360 H1 TIP3 277 -8.444 -20.308 -11.135 0.00 0.00 WAT1 ATOM 2361 H2 TIP3 277 -9.233 -20.075 -12.406 0.00 0.00 WAT1 ATOM 2362 OH2 TIP3 278 -12.329 -17.539 -16.674 0.00 0.00 WAT1 ATOM 2363 H1 TIP3 278 -13.049 -17.099 -17.125 0.00 0.00 WAT1 ATOM 2364 H2 TIP3 278 -12.694 -17.790 -15.825 0.00 0.00 WAT1 ATOM 2365 OH2 TIP3 279 -9.861 -17.939 -17.645 0.00 0.00 WAT1 ATOM 2366 H1 TIP3 279 -10.726 -17.867 -17.241 0.00 0.00 WAT1 ATOM 2367 H2 TIP3 279 -9.916 -17.392 -18.428 0.00 0.00 WAT1 ATOM 2368 OH2 TIP3 280 -5.151 -18.051 -18.468 0.00 0.00 WAT1 ATOM 2369 H1 TIP3 280 -5.607 -17.522 -19.122 0.00 0.00 WAT1 ATOM 2370 H2 TIP3 280 -4.987 -17.448 -17.743 0.00 0.00 WAT1 ATOM 2371 OH2 TIP3 281 -12.913 -18.916 -19.764 0.00 0.00 WAT1 ATOM 2372 H1 TIP3 281 -12.933 -19.341 -18.907 0.00 0.00 WAT1 ATOM 2373 H2 TIP3 281 -12.108 -19.234 -20.172 0.00 0.00 WAT1 ATOM 2374 OH2 TIP3 282 -8.236 -19.736 -20.261 0.00 0.00 WAT1 ATOM 2375 H1 TIP3 282 -8.023 -20.624 -20.547 0.00 0.00 WAT1 ATOM 2376 H2 TIP3 282 -8.171 -19.770 -19.305 0.00 0.00 WAT1 ATOM 2377 OH2 TIP3 283 -4.389 -27.027 -1.060 0.00 0.00 WAT1 ATOM 2378 H1 TIP3 283 -4.426 -27.673 -0.355 0.00 0.00 WAT1 ATOM 2379 H2 TIP3 283 -4.712 -27.493 -1.831 0.00 0.00 WAT1 ATOM 2380 OH2 TIP3 284 -0.683 -24.088 -2.758 0.00 0.00 WAT1 ATOM 2381 H1 TIP3 284 -1.123 -24.808 -2.308 0.00 0.00 WAT1 ATOM 2382 H2 TIP3 284 -0.696 -23.367 -2.128 0.00 0.00 WAT1 ATOM 2383 OH2 TIP3 285 -3.571 -18.983 -2.546 0.00 0.00 WAT1 ATOM 2384 H1 TIP3 285 -2.952 -19.660 -2.819 0.00 0.00 WAT1 ATOM 2385 H2 TIP3 285 -3.780 -19.201 -1.639 0.00 0.00 WAT1 ATOM 2386 OH2 TIP3 286 -6.000 -24.594 -0.654 0.00 0.00 WAT1 ATOM 2387 H1 TIP3 286 -5.696 -25.280 -1.248 0.00 0.00 WAT1 ATOM 2388 H2 TIP3 286 -5.277 -24.476 -0.036 0.00 0.00 WAT1 ATOM 2389 OH2 TIP3 287 3.055 -31.515 2.443 0.00 0.00 WAT1 ATOM 2390 H1 TIP3 287 2.366 -30.857 2.347 0.00 0.00 WAT1 ATOM 2391 H2 TIP3 287 3.071 -31.712 3.379 0.00 0.00 WAT1 ATOM 2392 OH2 TIP3 288 -8.325 -25.505 1.308 0.00 0.00 WAT1 ATOM 2393 H1 TIP3 288 -9.065 -24.907 1.410 0.00 0.00 WAT1 ATOM 2394 H2 TIP3 288 -7.611 -24.951 0.992 0.00 0.00 WAT1 ATOM 2395 OH2 TIP3 289 -9.916 -23.541 2.095 0.00 0.00 WAT1 ATOM 2396 H1 TIP3 289 -9.922 -22.662 1.716 0.00 0.00 WAT1 ATOM 2397 H2 TIP3 289 -10.771 -23.624 2.520 0.00 0.00 WAT1 ATOM 2398 OH2 TIP3 290 -0.170 -22.248 -0.410 0.00 0.00 WAT1 ATOM 2399 H1 TIP3 290 -1.112 -22.190 -0.250 0.00 0.00 WAT1 ATOM 2400 H2 TIP3 290 0.106 -21.342 -0.547 0.00 0.00 WAT1 ATOM 2401 OH2 TIP3 291 -1.918 -20.467 -3.785 0.00 0.00 WAT1 ATOM 2402 H1 TIP3 291 -1.494 -21.174 -4.271 0.00 0.00 WAT1 ATOM 2403 H2 TIP3 291 -1.601 -19.666 -4.203 0.00 0.00 WAT1 ATOM 2404 OH2 TIP3 292 2.769 -27.660 1.267 0.00 0.00 WAT1 ATOM 2405 H1 TIP3 292 2.117 -26.965 1.356 0.00 0.00 WAT1 ATOM 2406 H2 TIP3 292 3.234 -27.450 0.457 0.00 0.00 WAT1 ATOM 2407 OH2 TIP3 293 -1.298 -28.654 2.993 0.00 0.00 WAT1 ATOM 2408 H1 TIP3 293 -1.218 -27.891 3.565 0.00 0.00 WAT1 ATOM 2409 H2 TIP3 293 -1.898 -28.375 2.302 0.00 0.00 WAT1 ATOM 2410 OH2 TIP3 294 -8.183 -22.770 -1.511 0.00 0.00 WAT1 ATOM 2411 H1 TIP3 294 -8.277 -23.348 -2.268 0.00 0.00 WAT1 ATOM 2412 H2 TIP3 294 -7.454 -23.141 -1.015 0.00 0.00 WAT1 ATOM 2413 OH2 TIP3 295 -2.873 -21.926 0.175 0.00 0.00 WAT1 ATOM 2414 H1 TIP3 295 -3.115 -21.264 0.823 0.00 0.00 WAT1 ATOM 2415 H2 TIP3 295 -3.071 -22.760 0.599 0.00 0.00 WAT1 ATOM 2416 OH2 TIP3 296 -8.303 -23.030 4.158 0.00 0.00 WAT1 ATOM 2417 H1 TIP3 296 -8.614 -22.248 4.614 0.00 0.00 WAT1 ATOM 2418 H2 TIP3 296 -8.953 -23.183 3.472 0.00 0.00 WAT1 ATOM 2419 OH2 TIP3 297 -4.598 -20.929 -4.955 0.00 0.00 WAT1 ATOM 2420 H1 TIP3 297 -4.123 -20.634 -4.178 0.00 0.00 WAT1 ATOM 2421 H2 TIP3 297 -5.160 -20.191 -5.188 0.00 0.00 WAT1 ATOM 2422 OH2 TIP3 298 -10.064 -20.958 4.921 0.00 0.00 WAT1 ATOM 2423 H1 TIP3 298 -10.056 -21.094 3.974 0.00 0.00 WAT1 ATOM 2424 H2 TIP3 298 -10.979 -21.076 5.174 0.00 0.00 WAT1 ATOM 2425 OH2 TIP3 299 -14.715 -21.985 -0.904 0.00 0.00 WAT1 ATOM 2426 H1 TIP3 299 -13.770 -22.129 -0.923 0.00 0.00 WAT1 ATOM 2427 H2 TIP3 299 -14.829 -21.201 -0.367 0.00 0.00 WAT1 ATOM 2428 OH2 TIP3 300 -11.471 -19.184 -4.760 0.00 0.00 WAT1 ATOM 2429 H1 TIP3 300 -11.319 -19.532 -3.880 0.00 0.00 WAT1 ATOM 2430 H2 TIP3 300 -12.322 -19.540 -5.014 0.00 0.00 WAT1 ATOM 2431 OH2 TIP3 301 0.633 -29.826 5.258 0.00 0.00 WAT1 ATOM 2432 H1 TIP3 301 0.226 -29.345 4.537 0.00 0.00 WAT1 ATOM 2433 H2 TIP3 301 0.675 -30.731 4.950 0.00 0.00 WAT1 ATOM 2434 OH2 TIP3 302 -12.218 -23.442 3.254 0.00 0.00 WAT1 ATOM 2435 H1 TIP3 302 -12.000 -23.803 4.114 0.00 0.00 WAT1 ATOM 2436 H2 TIP3 302 -13.072 -23.816 3.044 0.00 0.00 WAT1 ATOM 2437 OH2 TIP3 303 -1.609 -31.494 3.478 0.00 0.00 WAT1 ATOM 2438 H1 TIP3 303 -2.123 -31.620 4.275 0.00 0.00 WAT1 ATOM 2439 H2 TIP3 303 -1.764 -30.582 3.233 0.00 0.00 WAT1 ATOM 2440 OH2 TIP3 304 -4.873 -29.194 5.562 0.00 0.00 WAT1 ATOM 2441 H1 TIP3 304 -5.436 -29.898 5.883 0.00 0.00 WAT1 ATOM 2442 H2 TIP3 304 -4.046 -29.314 6.030 0.00 0.00 WAT1 ATOM 2443 OH2 TIP3 305 -3.707 -28.285 1.559 0.00 0.00 WAT1 ATOM 2444 H1 TIP3 305 -3.382 -28.916 0.917 0.00 0.00 WAT1 ATOM 2445 H2 TIP3 305 -4.146 -28.820 2.220 0.00 0.00 WAT1 ATOM 2446 OH2 TIP3 306 -11.639 -24.977 5.492 0.00 0.00 WAT1 ATOM 2447 H1 TIP3 306 -10.905 -24.723 6.053 0.00 0.00 WAT1 ATOM 2448 H2 TIP3 306 -12.418 -24.773 6.008 0.00 0.00 WAT1 ATOM 2449 OH2 TIP3 307 -7.288 -27.696 5.627 0.00 0.00 WAT1 ATOM 2450 H1 TIP3 307 -7.585 -27.862 4.732 0.00 0.00 WAT1 ATOM 2451 H2 TIP3 307 -6.357 -27.916 5.617 0.00 0.00 WAT1 ATOM 2452 OH2 TIP3 308 -1.481 -26.484 -0.629 0.00 0.00 WAT1 ATOM 2453 H1 TIP3 308 -2.409 -26.716 -0.656 0.00 0.00 WAT1 ATOM 2454 H2 TIP3 308 -1.030 -27.261 -0.960 0.00 0.00 WAT1 ATOM 2455 OH2 TIP3 309 -6.997 -20.344 1.394 0.00 0.00 WAT1 ATOM 2456 H1 TIP3 309 -6.633 -19.489 1.162 0.00 0.00 WAT1 ATOM 2457 H2 TIP3 309 -6.465 -20.636 2.135 0.00 0.00 WAT1 ATOM 2458 OH2 TIP3 310 -8.828 -19.471 -5.376 0.00 0.00 WAT1 ATOM 2459 H1 TIP3 310 -9.777 -19.366 -5.324 0.00 0.00 WAT1 ATOM 2460 H2 TIP3 310 -8.476 -18.651 -5.030 0.00 0.00 WAT1 ATOM 2461 OH2 TIP3 311 -3.453 -24.245 1.095 0.00 0.00 WAT1 ATOM 2462 H1 TIP3 311 -3.878 -24.472 1.921 0.00 0.00 WAT1 ATOM 2463 H2 TIP3 311 -2.872 -24.983 0.913 0.00 0.00 WAT1 ATOM 2464 OH2 TIP3 312 -13.021 -20.655 1.406 0.00 0.00 WAT1 ATOM 2465 H1 TIP3 312 -12.803 -21.587 1.376 0.00 0.00 WAT1 ATOM 2466 H2 TIP3 312 -12.774 -20.381 2.291 0.00 0.00 WAT1 ATOM 2467 OH2 TIP3 313 -5.417 -30.353 2.978 0.00 0.00 WAT1 ATOM 2468 H1 TIP3 313 -5.298 -29.779 3.736 0.00 0.00 WAT1 ATOM 2469 H2 TIP3 313 -4.761 -31.041 3.094 0.00 0.00 WAT1 ATOM 2470 OH2 TIP3 314 0.787 -32.446 3.813 0.00 0.00 WAT1 ATOM 2471 H1 TIP3 314 -0.128 -32.183 3.725 0.00 0.00 WAT1 ATOM 2472 H2 TIP3 314 1.123 -32.449 2.916 0.00 0.00 WAT1 ATOM 2473 OH2 TIP3 315 -13.902 -24.958 6.713 0.00 0.00 WAT1 ATOM 2474 H1 TIP3 315 -13.758 -25.860 6.428 0.00 0.00 WAT1 ATOM 2475 H2 TIP3 315 -14.675 -24.672 6.226 0.00 0.00 WAT1 ATOM 2476 OH2 TIP3 316 -7.248 -24.988 6.146 0.00 0.00 WAT1 ATOM 2477 H1 TIP3 316 -7.575 -24.717 5.289 0.00 0.00 WAT1 ATOM 2478 H2 TIP3 316 -7.096 -25.929 6.059 0.00 0.00 WAT1 ATOM 2479 OH2 TIP3 317 -6.790 -27.585 2.323 0.00 0.00 WAT1 ATOM 2480 H1 TIP3 317 -6.038 -27.741 1.749 0.00 0.00 WAT1 ATOM 2481 H2 TIP3 317 -7.128 -26.733 2.047 0.00 0.00 WAT1 ATOM 2482 OH2 TIP3 318 -2.373 -29.770 7.351 0.00 0.00 WAT1 ATOM 2483 H1 TIP3 318 -2.182 -30.701 7.240 0.00 0.00 WAT1 ATOM 2484 H2 TIP3 318 -1.516 -29.345 7.341 0.00 0.00 WAT1 ATOM 2485 OH2 TIP3 319 -6.301 -31.246 6.078 0.00 0.00 WAT1 ATOM 2486 H1 TIP3 319 -6.537 -31.466 6.979 0.00 0.00 WAT1 ATOM 2487 H2 TIP3 319 -7.085 -31.453 5.569 0.00 0.00 WAT1 ATOM 2488 OH2 TIP3 320 -3.586 -32.119 5.153 0.00 0.00 WAT1 ATOM 2489 H1 TIP3 320 -4.534 -32.087 5.286 0.00 0.00 WAT1 ATOM 2490 H2 TIP3 320 -3.273 -32.744 5.807 0.00 0.00 WAT1 ATOM 2491 OH2 TIP3 321 -7.444 -17.708 -9.585 0.00 0.00 WAT1 ATOM 2492 H1 TIP3 321 -6.511 -17.550 -9.441 0.00 0.00 WAT1 ATOM 2493 H2 TIP3 321 -7.707 -17.033 -10.210 0.00 0.00 WAT1 ATOM 2494 OH2 TIP3 322 -15.227 -17.679 -5.024 0.00 0.00 WAT1 ATOM 2495 H1 TIP3 322 -15.873 -18.141 -5.558 0.00 0.00 WAT1 ATOM 2496 H2 TIP3 322 -14.872 -18.351 -4.441 0.00 0.00 WAT1 ATOM 2497 OH2 TIP3 323 -14.357 -19.598 -3.220 0.00 0.00 WAT1 ATOM 2498 H1 TIP3 323 -14.691 -20.479 -3.047 0.00 0.00 WAT1 ATOM 2499 H2 TIP3 323 -14.134 -19.253 -2.356 0.00 0.00 WAT1 ATOM 2500 OH2 TIP3 324 1.040 -29.700 1.896 0.00 0.00 WAT1 ATOM 2501 H1 TIP3 324 0.197 -29.432 2.262 0.00 0.00 WAT1 ATOM 2502 H2 TIP3 324 1.482 -28.878 1.684 0.00 0.00 WAT1 ATOM 2503 OH2 TIP3 325 2.843 -33.611 5.598 0.00 0.00 WAT1 ATOM 2504 H1 TIP3 325 1.925 -33.340 5.562 0.00 0.00 WAT1 ATOM 2505 H2 TIP3 325 2.965 -34.146 4.815 0.00 0.00 WAT1 ATOM 2506 OH2 TIP3 326 -0.069 -18.699 -4.668 0.00 0.00 WAT1 ATOM 2507 H1 TIP3 326 0.583 -19.046 -5.276 0.00 0.00 WAT1 ATOM 2508 H2 TIP3 326 0.441 -18.210 -4.021 0.00 0.00 WAT1 ATOM 2509 OH2 TIP3 327 -12.684 -21.770 5.876 0.00 0.00 WAT1 ATOM 2510 H1 TIP3 327 -13.505 -21.595 5.415 0.00 0.00 WAT1 ATOM 2511 H2 TIP3 327 -12.936 -21.843 6.796 0.00 0.00 WAT1 ATOM 2512 OH2 TIP3 328 -9.730 -20.795 2.134 0.00 0.00 WAT1 ATOM 2513 H1 TIP3 328 -10.155 -19.986 1.852 0.00 0.00 WAT1 ATOM 2514 H2 TIP3 328 -8.825 -20.710 1.833 0.00 0.00 WAT1 ATOM 2515 OH2 TIP3 329 -9.861 -17.939 1.212 0.00 0.00 WAT1 ATOM 2516 H1 TIP3 329 -10.726 -17.867 1.615 0.00 0.00 WAT1 ATOM 2517 H2 TIP3 329 -9.916 -17.392 0.428 0.00 0.00 WAT1 ATOM 2518 OH2 TIP3 330 -12.913 -18.916 -0.907 0.00 0.00 WAT1 ATOM 2519 H1 TIP3 330 -12.933 -19.341 -0.050 0.00 0.00 WAT1 ATOM 2520 H2 TIP3 330 -12.108 -19.234 -1.317 0.00 0.00 WAT1 ATOM 2521 OH2 TIP3 331 -10.773 -20.206 -2.252 0.00 0.00 WAT1 ATOM 2522 H1 TIP3 331 -10.992 -21.122 -2.083 0.00 0.00 WAT1 ATOM 2523 H2 TIP3 331 -9.948 -20.066 -1.786 0.00 0.00 WAT1 ATOM 2524 OH2 TIP3 332 -8.236 -19.736 -1.405 0.00 0.00 WAT1 ATOM 2525 H1 TIP3 332 -8.023 -20.624 -1.692 0.00 0.00 WAT1 ATOM 2526 H2 TIP3 332 -8.171 -19.770 -0.450 0.00 0.00 WAT1 ATOM 2527 OH2 TIP3 333 -13.662 -19.692 -7.736 0.00 0.00 WAT1 ATOM 2528 H1 TIP3 333 -14.348 -19.730 -8.405 0.00 0.00 WAT1 ATOM 2529 H2 TIP3 333 -13.660 -18.779 -7.448 0.00 0.00 WAT1 ATOM 2530 OH2 TIP3 334 -11.845 -18.772 -10.711 0.00 0.00 WAT1 ATOM 2531 H1 TIP3 334 -12.113 -18.485 -9.838 0.00 0.00 WAT1 ATOM 2532 H2 TIP3 334 -11.073 -19.318 -10.559 0.00 0.00 WAT1 ATOM 2533 OH2 TIP3 335 -4.389 -27.027 17.796 0.00 0.00 WAT1 ATOM 2534 H1 TIP3 335 -4.426 -27.673 18.500 0.00 0.00 WAT1 ATOM 2535 H2 TIP3 335 -4.712 -27.493 17.024 0.00 0.00 WAT1 ATOM 2536 OH2 TIP3 336 -0.683 -24.088 16.098 0.00 0.00 WAT1 ATOM 2537 H1 TIP3 336 -1.123 -24.808 16.547 0.00 0.00 WAT1 ATOM 2538 H2 TIP3 336 -0.696 -23.367 16.727 0.00 0.00 WAT1 ATOM 2539 OH2 TIP3 337 -11.096 -22.962 17.924 0.00 0.00 WAT1 ATOM 2540 H1 TIP3 337 -11.466 -23.764 17.555 0.00 0.00 WAT1 ATOM 2541 H2 TIP3 337 -10.155 -23.131 17.971 0.00 0.00 WAT1 ATOM 2542 OH2 TIP3 338 -3.571 -18.983 16.309 0.00 0.00 WAT1 ATOM 2543 H1 TIP3 338 -2.952 -19.660 16.037 0.00 0.00 WAT1 ATOM 2544 H2 TIP3 338 -3.780 -19.201 17.218 0.00 0.00 WAT1 ATOM 2545 OH2 TIP3 339 -6.000 -24.594 18.201 0.00 0.00 WAT1 ATOM 2546 H1 TIP3 339 -5.696 -25.280 17.608 0.00 0.00 WAT1 ATOM 2547 H2 TIP3 339 -5.277 -24.476 18.820 0.00 0.00 WAT1 ATOM 2548 OH2 TIP3 340 -7.928 -28.152 15.780 0.00 0.00 WAT1 ATOM 2549 H1 TIP3 340 -7.312 -28.678 16.288 0.00 0.00 WAT1 ATOM 2550 H2 TIP3 340 -8.514 -28.792 15.376 0.00 0.00 WAT1 ATOM 2551 OH2 TIP3 341 -13.796 -23.870 11.732 0.00 0.00 WAT1 ATOM 2552 H1 TIP3 341 -14.067 -23.641 10.844 0.00 0.00 WAT1 ATOM 2553 H2 TIP3 341 -13.750 -23.032 12.193 0.00 0.00 WAT1 ATOM 2554 OH2 TIP3 342 -0.170 -22.248 18.445 0.00 0.00 WAT1 ATOM 2555 H1 TIP3 342 -1.112 -22.190 18.607 0.00 0.00 WAT1 ATOM 2556 H2 TIP3 342 0.106 -21.342 18.309 0.00 0.00 WAT1 ATOM 2557 OH2 TIP3 343 -1.918 -20.467 15.071 0.00 0.00 WAT1 ATOM 2558 H1 TIP3 343 -1.494 -21.174 14.585 0.00 0.00 WAT1 ATOM 2559 H2 TIP3 343 -1.601 -19.666 14.654 0.00 0.00 WAT1 ATOM 2560 OH2 TIP3 344 -4.601 -27.038 11.829 0.00 0.00 WAT1 ATOM 2561 H1 TIP3 344 -5.312 -26.503 11.477 0.00 0.00 WAT1 ATOM 2562 H2 TIP3 344 -3.909 -26.982 11.169 0.00 0.00 WAT1 ATOM 2563 OH2 TIP3 345 -4.546 -28.580 8.867 0.00 0.00 WAT1 ATOM 2564 H1 TIP3 345 -3.845 -28.558 9.518 0.00 0.00 WAT1 ATOM 2565 H2 TIP3 345 -4.245 -29.208 8.212 0.00 0.00 WAT1 ATOM 2566 OH2 TIP3 346 -1.194 -26.828 12.780 0.00 0.00 WAT1 ATOM 2567 H1 TIP3 346 -1.926 -26.600 13.354 0.00 0.00 WAT1 ATOM 2568 H2 TIP3 346 -0.747 -27.542 13.236 0.00 0.00 WAT1 ATOM 2569 OH2 TIP3 347 -9.550 -26.198 14.664 0.00 0.00 WAT1 ATOM 2570 H1 TIP3 347 -9.880 -26.568 13.845 0.00 0.00 WAT1 ATOM 2571 H2 TIP3 347 -8.962 -26.868 15.010 0.00 0.00 WAT1 ATOM 2572 OH2 TIP3 348 -8.183 -22.770 17.345 0.00 0.00 WAT1 ATOM 2573 H1 TIP3 348 -8.277 -23.348 16.587 0.00 0.00 WAT1 ATOM 2574 H2 TIP3 348 -7.454 -23.141 17.840 0.00 0.00 WAT1 ATOM 2575 OH2 TIP3 349 -2.873 -21.926 19.030 0.00 0.00 WAT1 ATOM 2576 H1 TIP3 349 -3.115 -21.264 19.678 0.00 0.00 WAT1 ATOM 2577 H2 TIP3 349 -3.071 -22.760 19.456 0.00 0.00 WAT1 ATOM 2578 OH2 TIP3 350 -2.324 -27.666 10.466 0.00 0.00 WAT1 ATOM 2579 H1 TIP3 350 -1.745 -27.516 11.213 0.00 0.00 WAT1 ATOM 2580 H2 TIP3 350 -1.909 -27.195 9.742 0.00 0.00 WAT1 ATOM 2581 OH2 TIP3 351 -10.559 -27.128 12.253 0.00 0.00 WAT1 ATOM 2582 H1 TIP3 351 -10.851 -26.360 11.762 0.00 0.00 WAT1 ATOM 2583 H2 TIP3 351 -11.233 -27.788 12.090 0.00 0.00 WAT1 ATOM 2584 OH2 TIP3 352 -14.715 -21.985 17.951 0.00 0.00 WAT1 ATOM 2585 H1 TIP3 352 -13.770 -22.129 17.933 0.00 0.00 WAT1 ATOM 2586 H2 TIP3 352 -14.829 -21.201 18.489 0.00 0.00 WAT1 ATOM 2587 OH2 TIP3 353 -3.974 -29.369 12.931 0.00 0.00 WAT1 ATOM 2588 H1 TIP3 353 -4.383 -28.554 12.639 0.00 0.00 WAT1 ATOM 2589 H2 TIP3 353 -3.255 -29.509 12.316 0.00 0.00 WAT1 ATOM 2590 OH2 TIP3 354 -2.970 -29.923 15.745 0.00 0.00 WAT1 ATOM 2591 H1 TIP3 354 -3.166 -29.318 15.030 0.00 0.00 WAT1 ATOM 2592 H2 TIP3 354 -2.788 -30.757 15.309 0.00 0.00 WAT1 ATOM 2593 OH2 TIP3 355 -2.541 -32.155 9.384 0.00 0.00 WAT1 ATOM 2594 H1 TIP3 355 -3.478 -32.043 9.233 0.00 0.00 WAT1 ATOM 2595 H2 TIP3 355 -2.244 -31.298 9.691 0.00 0.00 WAT1 ATOM 2596 OH2 TIP3 356 -1.822 -30.288 11.046 0.00 0.00 WAT1 ATOM 2597 H1 TIP3 356 -0.931 -30.425 11.364 0.00 0.00 WAT1 ATOM 2598 H2 TIP3 356 -1.766 -29.497 10.509 0.00 0.00 WAT1 ATOM 2599 OH2 TIP3 357 3.062 -30.078 10.739 0.00 0.00 WAT1 ATOM 2600 H1 TIP3 357 2.509 -30.474 10.068 0.00 0.00 WAT1 ATOM 2601 H2 TIP3 357 3.163 -29.168 10.463 0.00 0.00 WAT1 ATOM 2602 OH2 TIP3 358 -1.481 -26.484 18.227 0.00 0.00 WAT1 ATOM 2603 H1 TIP3 358 -2.409 -26.716 18.200 0.00 0.00 WAT1 ATOM 2604 H2 TIP3 358 -1.030 -27.261 17.896 0.00 0.00 WAT1 ATOM 2605 OH2 TIP3 359 -7.511 -24.493 13.936 0.00 0.00 WAT1 ATOM 2606 H1 TIP3 359 -7.752 -23.568 13.978 0.00 0.00 WAT1 ATOM 2607 H2 TIP3 359 -8.252 -24.952 14.332 0.00 0.00 WAT1 ATOM 2608 OH2 TIP3 360 -3.453 -24.245 19.951 0.00 0.00 WAT1 ATOM 2609 H1 TIP3 360 -3.878 -24.472 20.777 0.00 0.00 WAT1 ATOM 2610 H2 TIP3 360 -2.872 -24.983 19.768 0.00 0.00 WAT1 ATOM 2611 OH2 TIP3 361 -11.768 -25.381 10.439 0.00 0.00 WAT1 ATOM 2612 H1 TIP3 361 -12.454 -25.029 11.006 0.00 0.00 WAT1 ATOM 2613 H2 TIP3 361 -11.245 -24.618 10.193 0.00 0.00 WAT1 ATOM 2614 OH2 TIP3 362 -0.611 -28.695 16.765 0.00 0.00 WAT1 ATOM 2615 H1 TIP3 362 -1.407 -29.110 16.436 0.00 0.00 WAT1 ATOM 2616 H2 TIP3 362 -0.165 -29.386 17.256 0.00 0.00 WAT1 ATOM 2617 OH2 TIP3 363 -11.152 -22.767 9.335 0.00 0.00 WAT1 ATOM 2618 H1 TIP3 363 -10.561 -22.068 9.611 0.00 0.00 WAT1 ATOM 2619 H2 TIP3 363 -10.694 -23.200 8.617 0.00 0.00 WAT1 ATOM 2620 OH2 TIP3 364 -9.562 -24.614 7.702 0.00 0.00 WAT1 ATOM 2621 H1 TIP3 364 -9.498 -25.408 8.232 0.00 0.00 WAT1 ATOM 2622 H2 TIP3 364 -8.909 -24.733 7.013 0.00 0.00 WAT1 ATOM 2623 OH2 TIP3 365 -8.412 -26.642 10.008 0.00 0.00 WAT1 ATOM 2624 H1 TIP3 365 -8.872 -27.126 10.694 0.00 0.00 WAT1 ATOM 2625 H2 TIP3 365 -8.158 -27.310 9.372 0.00 0.00 WAT1 ATOM 2626 OH2 TIP3 366 -7.341 -28.399 8.271 0.00 0.00 WAT1 ATOM 2627 H1 TIP3 366 -7.521 -28.553 7.343 0.00 0.00 WAT1 ATOM 2628 H2 TIP3 366 -6.391 -28.291 8.315 0.00 0.00 WAT1 ATOM 2629 OH2 TIP3 367 -13.875 -23.072 8.755 0.00 0.00 WAT1 ATOM 2630 H1 TIP3 367 -12.962 -22.993 9.027 0.00 0.00 WAT1 ATOM 2631 H2 TIP3 367 -13.869 -23.759 8.088 0.00 0.00 WAT1 ATOM 2632 OH2 TIP3 368 -14.357 -19.598 15.636 0.00 0.00 WAT1 ATOM 2633 H1 TIP3 368 -14.691 -20.479 15.809 0.00 0.00 WAT1 ATOM 2634 H2 TIP3 368 -14.134 -19.253 16.500 0.00 0.00 WAT1 ATOM 2635 OH2 TIP3 369 2.901 -27.122 13.514 0.00 0.00 WAT1 ATOM 2636 H1 TIP3 369 2.176 -27.601 13.913 0.00 0.00 WAT1 ATOM 2637 H2 TIP3 369 3.483 -26.916 14.247 0.00 0.00 WAT1 ATOM 2638 OH2 TIP3 370 1.519 -29.981 8.457 0.00 0.00 WAT1 ATOM 2639 H1 TIP3 370 1.615 -29.314 7.777 0.00 0.00 WAT1 ATOM 2640 H2 TIP3 370 1.378 -30.797 7.975 0.00 0.00 WAT1 ATOM 2641 OH2 TIP3 371 0.689 -28.601 14.078 0.00 0.00 WAT1 ATOM 2642 H1 TIP3 371 0.538 -29.546 14.058 0.00 0.00 WAT1 ATOM 2643 H2 TIP3 371 0.335 -28.320 14.921 0.00 0.00 WAT1 ATOM 2644 OH2 TIP3 372 0.766 -32.573 7.574 0.00 0.00 WAT1 ATOM 2645 H1 TIP3 372 1.377 -32.945 8.210 0.00 0.00 WAT1 ATOM 2646 H2 TIP3 372 -0.071 -32.995 7.770 0.00 0.00 WAT1 ATOM 2647 OH2 TIP3 373 0.399 -31.018 12.540 0.00 0.00 WAT1 ATOM 2648 H1 TIP3 373 0.678 -31.925 12.665 0.00 0.00 WAT1 ATOM 2649 H2 TIP3 373 1.157 -30.584 12.151 0.00 0.00 WAT1 ATOM 2650 OH2 TIP3 374 -0.069 -18.699 14.189 0.00 0.00 WAT1 ATOM 2651 H1 TIP3 374 0.583 -19.046 13.581 0.00 0.00 WAT1 ATOM 2652 H2 TIP3 374 0.441 -18.210 14.835 0.00 0.00 WAT1 ATOM 2653 OH2 TIP3 375 -5.151 -18.051 19.244 0.00 0.00 WAT1 ATOM 2654 H1 TIP3 375 -5.607 -17.522 18.590 0.00 0.00 WAT1 ATOM 2655 H2 TIP3 375 -4.987 -17.448 19.968 0.00 0.00 WAT1 ATOM 2656 OH2 TIP3 376 -12.913 -18.916 17.948 0.00 0.00 WAT1 ATOM 2657 H1 TIP3 376 -12.933 -19.341 18.806 0.00 0.00 WAT1 ATOM 2658 H2 TIP3 376 -12.108 -19.234 17.540 0.00 0.00 WAT1 ATOM 2659 OH2 TIP3 377 -10.773 -20.206 16.604 0.00 0.00 WAT1 ATOM 2660 H1 TIP3 377 -10.992 -21.122 16.773 0.00 0.00 WAT1 ATOM 2661 H2 TIP3 377 -9.948 -20.066 17.070 0.00 0.00 WAT1 ATOM 2662 OH2 TIP3 378 -8.236 -19.736 17.451 0.00 0.00 WAT1 ATOM 2663 H1 TIP3 378 -8.023 -20.624 17.165 0.00 0.00 WAT1 ATOM 2664 H2 TIP3 378 -8.171 -19.770 18.407 0.00 0.00 WAT1 ATOM 2665 OH2 TIP3 379 1.910 -18.919 12.197 0.00 0.00 WAT1 ATOM 2666 H1 TIP3 379 1.716 -19.667 11.631 0.00 0.00 WAT1 ATOM 2667 H2 TIP3 379 1.872 -18.161 11.613 0.00 0.00 WAT1 ATOM 2668 OH2 TIP3 380 -3.321 -7.426 -23.335 0.00 0.00 WAT1 ATOM 2669 H1 TIP3 380 -3.232 -6.482 -23.468 0.00 0.00 WAT1 ATOM 2670 H2 TIP3 380 -3.961 -7.701 -23.993 0.00 0.00 WAT1 ATOM 2671 OH2 TIP3 381 -4.389 -8.171 -19.916 0.00 0.00 WAT1 ATOM 2672 H1 TIP3 381 -4.426 -8.817 -19.212 0.00 0.00 WAT1 ATOM 2673 H2 TIP3 381 -4.712 -8.637 -20.688 0.00 0.00 WAT1 ATOM 2674 OH2 TIP3 382 -13.777 -8.284 -22.270 0.00 0.00 WAT1 ATOM 2675 H1 TIP3 382 -13.562 -9.054 -21.742 0.00 0.00 WAT1 ATOM 2676 H2 TIP3 382 -13.038 -8.195 -22.872 0.00 0.00 WAT1 ATOM 2677 OH2 TIP3 383 -6.000 -5.738 -19.511 0.00 0.00 WAT1 ATOM 2678 H1 TIP3 383 -5.696 -6.424 -20.104 0.00 0.00 WAT1 ATOM 2679 H2 TIP3 383 -5.277 -5.620 -18.892 0.00 0.00 WAT1 ATOM 2680 OH2 TIP3 384 -2.858 -11.344 -19.183 0.00 0.00 WAT1 ATOM 2681 H1 TIP3 384 -2.716 -12.291 -19.162 0.00 0.00 WAT1 ATOM 2682 H2 TIP3 384 -2.965 -11.137 -20.111 0.00 0.00 WAT1 ATOM 2683 OH2 TIP3 385 -1.982 -13.112 -23.509 0.00 0.00 WAT1 ATOM 2684 H1 TIP3 385 -1.335 -13.441 -22.884 0.00 0.00 WAT1 ATOM 2685 H2 TIP3 385 -1.471 -12.594 -24.133 0.00 0.00 WAT1 ATOM 2686 OH2 TIP3 386 -13.084 -10.846 -21.148 0.00 0.00 WAT1 ATOM 2687 H1 TIP3 386 -12.430 -11.396 -20.716 0.00 0.00 WAT1 ATOM 2688 H2 TIP3 386 -13.059 -11.120 -22.064 0.00 0.00 WAT1 ATOM 2689 OH2 TIP3 387 -6.867 -17.019 -20.383 0.00 0.00 WAT1 ATOM 2690 H1 TIP3 387 -6.984 -17.968 -20.438 0.00 0.00 WAT1 ATOM 2691 H2 TIP3 387 -7.723 -16.687 -20.110 0.00 0.00 WAT1 ATOM 2692 OH2 TIP3 388 -1.298 -9.798 -15.863 0.00 0.00 WAT1 ATOM 2693 H1 TIP3 388 -1.218 -9.035 -15.291 0.00 0.00 WAT1 ATOM 2694 H2 TIP3 388 -1.898 -9.519 -16.554 0.00 0.00 WAT1 ATOM 2695 OH2 TIP3 389 -9.550 -7.342 -23.049 0.00 0.00 WAT1 ATOM 2696 H1 TIP3 389 -9.880 -7.712 -23.867 0.00 0.00 WAT1 ATOM 2697 H2 TIP3 389 -8.962 -8.012 -22.703 0.00 0.00 WAT1 ATOM 2698 OH2 TIP3 390 -8.183 -3.914 -20.367 0.00 0.00 WAT1 ATOM 2699 H1 TIP3 390 -8.277 -4.492 -21.124 0.00 0.00 WAT1 ATOM 2700 H2 TIP3 390 -7.454 -4.285 -19.872 0.00 0.00 WAT1 ATOM 2701 OH2 TIP3 391 -10.559 -8.272 -25.459 0.00 0.00 WAT1 ATOM 2702 H1 TIP3 391 -10.851 -7.504 -25.950 0.00 0.00 WAT1 ATOM 2703 H2 TIP3 391 -11.233 -8.932 -25.622 0.00 0.00 WAT1 ATOM 2704 OH2 TIP3 392 -5.540 -2.889 -15.203 0.00 0.00 WAT1 ATOM 2705 H1 TIP3 392 -5.452 -2.063 -14.727 0.00 0.00 WAT1 ATOM 2706 H2 TIP3 392 -6.404 -3.219 -14.953 0.00 0.00 WAT1 ATOM 2707 OH2 TIP3 393 -11.471 -0.328 -23.616 0.00 0.00 WAT1 ATOM 2708 H1 TIP3 393 -11.319 -0.676 -22.736 0.00 0.00 WAT1 ATOM 2709 H2 TIP3 393 -12.322 -0.684 -23.870 0.00 0.00 WAT1 ATOM 2710 OH2 TIP3 394 -9.598 -16.116 -19.605 0.00 0.00 WAT1 ATOM 2711 H1 TIP3 394 -10.460 -16.203 -20.014 0.00 0.00 WAT1 ATOM 2712 H2 TIP3 394 -9.620 -15.260 -19.178 0.00 0.00 WAT1 ATOM 2713 OH2 TIP3 395 -4.936 -16.394 -16.232 0.00 0.00 WAT1 ATOM 2714 H1 TIP3 395 -4.516 -16.809 -15.479 0.00 0.00 WAT1 ATOM 2715 H2 TIP3 395 -5.869 -16.572 -16.114 0.00 0.00 WAT1 ATOM 2716 OH2 TIP3 396 -1.609 -12.638 -15.377 0.00 0.00 WAT1 ATOM 2717 H1 TIP3 396 -2.123 -12.764 -14.581 0.00 0.00 WAT1 ATOM 2718 H2 TIP3 396 -1.764 -11.726 -15.622 0.00 0.00 WAT1 ATOM 2719 OH2 TIP3 397 -9.511 -10.929 -23.599 0.00 0.00 WAT1 ATOM 2720 H1 TIP3 397 -10.404 -11.270 -23.657 0.00 0.00 WAT1 ATOM 2721 H2 TIP3 397 -9.059 -11.306 -24.354 0.00 0.00 WAT1 ATOM 2722 OH2 TIP3 398 -3.974 -10.513 -24.782 0.00 0.00 WAT1 ATOM 2723 H1 TIP3 398 -4.383 -9.698 -25.073 0.00 0.00 WAT1 ATOM 2724 H2 TIP3 398 -3.255 -10.653 -25.396 0.00 0.00 WAT1 ATOM 2725 OH2 TIP3 399 -4.873 -10.338 -13.293 0.00 0.00 WAT1 ATOM 2726 H1 TIP3 399 -5.436 -11.042 -12.973 0.00 0.00 WAT1 ATOM 2727 H2 TIP3 399 -4.046 -10.458 -12.826 0.00 0.00 WAT1 ATOM 2728 OH2 TIP3 400 -2.970 -11.067 -21.968 0.00 0.00 WAT1 ATOM 2729 H1 TIP3 400 -3.166 -10.462 -22.683 0.00 0.00 WAT1 ATOM 2730 H2 TIP3 400 -2.788 -11.901 -22.402 0.00 0.00 WAT1 ATOM 2731 OH2 TIP3 401 -15.149 -13.714 -22.793 0.00 0.00 WAT1 ATOM 2732 H1 TIP3 401 -14.518 -13.743 -22.073 0.00 0.00 WAT1 ATOM 2733 H2 TIP3 401 -14.700 -14.139 -23.523 0.00 0.00 WAT1 ATOM 2734 OH2 TIP3 402 -3.707 -9.429 -17.296 0.00 0.00 WAT1 ATOM 2735 H1 TIP3 402 -3.382 -10.060 -17.939 0.00 0.00 WAT1 ATOM 2736 H2 TIP3 402 -4.146 -9.964 -16.636 0.00 0.00 WAT1 ATOM 2737 OH2 TIP3 403 -6.928 -13.502 -22.512 0.00 0.00 WAT1 ATOM 2738 H1 TIP3 403 -7.840 -13.445 -22.223 0.00 0.00 WAT1 ATOM 2739 H2 TIP3 403 -6.423 -13.562 -21.701 0.00 0.00 WAT1 ATOM 2740 OH2 TIP3 404 -12.101 -11.873 -23.685 0.00 0.00 WAT1 ATOM 2741 H1 TIP3 404 -12.989 -11.773 -24.026 0.00 0.00 WAT1 ATOM 2742 H2 TIP3 404 -11.805 -12.715 -24.032 0.00 0.00 WAT1 ATOM 2743 OH2 TIP3 405 -8.447 -11.873 -26.029 0.00 0.00 WAT1 ATOM 2744 H1 TIP3 405 -7.516 -11.744 -25.852 0.00 0.00 WAT1 ATOM 2745 H2 TIP3 405 -8.662 -11.203 -26.678 0.00 0.00 WAT1 ATOM 2746 OH2 TIP3 406 -2.523 -14.267 -19.248 0.00 0.00 WAT1 ATOM 2747 H1 TIP3 406 -3.200 -14.136 -18.584 0.00 0.00 WAT1 ATOM 2748 H2 TIP3 406 -3.010 -14.422 -20.058 0.00 0.00 WAT1 ATOM 2749 OH2 TIP3 407 -10.607 -14.578 -24.207 0.00 0.00 WAT1 ATOM 2750 H1 TIP3 407 -10.924 -15.480 -24.242 0.00 0.00 WAT1 ATOM 2751 H2 TIP3 407 -9.825 -14.576 -24.759 0.00 0.00 WAT1 ATOM 2752 OH2 TIP3 408 -4.918 -5.929 -15.290 0.00 0.00 WAT1 ATOM 2753 H1 TIP3 408 -5.264 -6.310 -14.483 0.00 0.00 WAT1 ATOM 2754 H2 TIP3 408 -5.119 -4.995 -15.218 0.00 0.00 WAT1 ATOM 2755 OH2 TIP3 409 -11.314 -6.818 -20.758 0.00 0.00 WAT1 ATOM 2756 H1 TIP3 409 -10.569 -6.820 -21.358 0.00 0.00 WAT1 ATOM 2757 H2 TIP3 409 -11.236 -7.642 -20.276 0.00 0.00 WAT1 ATOM 2758 OH2 TIP3 410 -2.668 -3.467 -15.339 0.00 0.00 WAT1 ATOM 2759 H1 TIP3 410 -3.570 -3.284 -15.607 0.00 0.00 WAT1 ATOM 2760 H2 TIP3 410 -2.635 -3.208 -14.418 0.00 0.00 WAT1 ATOM 2761 OH2 TIP3 411 -1.481 -7.628 -19.485 0.00 0.00 WAT1 ATOM 2762 H1 TIP3 411 -2.409 -7.860 -19.512 0.00 0.00 WAT1 ATOM 2763 H2 TIP3 411 -1.030 -8.405 -19.816 0.00 0.00 WAT1 ATOM 2764 OH2 TIP3 412 -8.938 -3.300 -23.352 0.00 0.00 WAT1 ATOM 2765 H1 TIP3 412 -8.412 -2.527 -23.553 0.00 0.00 WAT1 ATOM 2766 H2 TIP3 412 -9.819 -3.075 -23.654 0.00 0.00 WAT1 ATOM 2767 OH2 TIP3 413 -7.511 -5.637 -23.776 0.00 0.00 WAT1 ATOM 2768 H1 TIP3 413 -7.752 -4.712 -23.735 0.00 0.00 WAT1 ATOM 2769 H2 TIP3 413 -8.252 -6.096 -23.380 0.00 0.00 WAT1 ATOM 2770 OH2 TIP3 414 -6.997 -1.488 -17.462 0.00 0.00 WAT1 ATOM 2771 H1 TIP3 414 -6.633 -0.633 -17.694 0.00 0.00 WAT1 ATOM 2772 H2 TIP3 414 -6.465 -1.780 -16.721 0.00 0.00 WAT1 ATOM 2773 OH2 TIP3 415 -3.453 -5.389 -17.761 0.00 0.00 WAT1 ATOM 2774 H1 TIP3 415 -3.878 -5.616 -16.934 0.00 0.00 WAT1 ATOM 2775 H2 TIP3 415 -2.872 -6.127 -17.944 0.00 0.00 WAT1 ATOM 2776 OH2 TIP3 416 -3.937 -13.863 -16.994 0.00 0.00 WAT1 ATOM 2777 H1 TIP3 416 -3.239 -13.789 -16.345 0.00 0.00 WAT1 ATOM 2778 H2 TIP3 416 -4.317 -14.727 -16.840 0.00 0.00 WAT1 ATOM 2779 OH2 TIP3 417 -5.952 -12.483 -25.062 0.00 0.00 WAT1 ATOM 2780 H1 TIP3 417 -5.141 -11.979 -25.017 0.00 0.00 WAT1 ATOM 2781 H2 TIP3 417 -6.197 -12.628 -24.148 0.00 0.00 WAT1 ATOM 2782 OH2 TIP3 418 -5.069 -15.402 -24.124 0.00 0.00 WAT1 ATOM 2783 H1 TIP3 418 -5.415 -14.784 -23.479 0.00 0.00 WAT1 ATOM 2784 H2 TIP3 418 -4.410 -14.901 -24.605 0.00 0.00 WAT1 ATOM 2785 OH2 TIP3 419 -0.611 -9.839 -20.947 0.00 0.00 WAT1 ATOM 2786 H1 TIP3 419 -1.407 -10.254 -21.276 0.00 0.00 WAT1 ATOM 2787 H2 TIP3 419 -0.165 -10.530 -20.456 0.00 0.00 WAT1 ATOM 2788 OH2 TIP3 420 -12.029 -16.465 -20.587 0.00 0.00 WAT1 ATOM 2789 H1 TIP3 420 -12.258 -16.406 -21.514 0.00 0.00 WAT1 ATOM 2790 H2 TIP3 420 -12.471 -17.257 -20.280 0.00 0.00 WAT1 ATOM 2791 OH2 TIP3 421 -13.099 -2.525 -24.427 0.00 0.00 WAT1 ATOM 2792 H1 TIP3 421 -13.930 -2.052 -24.399 0.00 0.00 WAT1 ATOM 2793 H2 TIP3 421 -12.553 -2.015 -25.026 0.00 0.00 WAT1 ATOM 2794 OH2 TIP3 422 -13.809 0.088 -13.096 0.00 0.00 WAT1 ATOM 2795 H1 TIP3 422 -13.270 -0.129 -12.337 0.00 0.00 WAT1 ATOM 2796 H2 TIP3 422 -14.291 -0.718 -13.287 0.00 0.00 WAT1 ATOM 2797 OH2 TIP3 423 -2.635 -2.613 -12.747 0.00 0.00 WAT1 ATOM 2798 H1 TIP3 423 -2.986 -3.469 -12.505 0.00 0.00 WAT1 ATOM 2799 H2 TIP3 423 -1.909 -2.470 -12.140 0.00 0.00 WAT1 ATOM 2800 OH2 TIP3 424 -4.104 -7.422 -12.070 0.00 0.00 WAT1 ATOM 2801 H1 TIP3 424 -3.151 -7.338 -12.098 0.00 0.00 WAT1 ATOM 2802 H2 TIP3 424 -4.264 -8.133 -11.451 0.00 0.00 WAT1 ATOM 2803 OH2 TIP3 425 -2.373 -10.914 -11.505 0.00 0.00 WAT1 ATOM 2804 H1 TIP3 425 -2.182 -11.845 -11.616 0.00 0.00 WAT1 ATOM 2805 H2 TIP3 425 -1.516 -10.489 -11.515 0.00 0.00 WAT1 ATOM 2806 OH2 TIP3 426 -7.566 -16.712 -16.341 0.00 0.00 WAT1 ATOM 2807 H1 TIP3 426 -7.663 -15.765 -16.447 0.00 0.00 WAT1 ATOM 2808 H2 TIP3 426 -8.309 -17.084 -16.817 0.00 0.00 WAT1 ATOM 2809 OH2 TIP3 427 -6.301 -12.390 -12.778 0.00 0.00 WAT1 ATOM 2810 H1 TIP3 427 -6.537 -12.610 -11.877 0.00 0.00 WAT1 ATOM 2811 H2 TIP3 427 -7.085 -12.597 -13.287 0.00 0.00 WAT1 ATOM 2812 OH2 TIP3 428 -3.586 -13.263 -13.703 0.00 0.00 WAT1 ATOM 2813 H1 TIP3 428 -4.534 -13.231 -13.570 0.00 0.00 WAT1 ATOM 2814 H2 TIP3 428 -3.273 -13.888 -13.049 0.00 0.00 WAT1 ATOM 2815 OH2 TIP3 429 -7.344 -17.418 -13.671 0.00 0.00 WAT1 ATOM 2816 H1 TIP3 429 -6.631 -18.058 -13.684 0.00 0.00 WAT1 ATOM 2817 H2 TIP3 429 -7.444 -17.151 -14.584 0.00 0.00 WAT1 ATOM 2818 OH2 TIP3 430 -6.990 -15.735 -11.616 0.00 0.00 WAT1 ATOM 2819 H1 TIP3 430 -7.122 -16.211 -12.438 0.00 0.00 WAT1 ATOM 2820 H2 TIP3 430 -7.590 -14.991 -11.672 0.00 0.00 WAT1 ATOM 2821 OH2 TIP3 431 -14.357 -0.742 -22.075 0.00 0.00 WAT1 ATOM 2822 H1 TIP3 431 -14.691 -1.623 -21.904 0.00 0.00 WAT1 ATOM 2823 H2 TIP3 431 -14.134 -0.397 -21.212 0.00 0.00 WAT1 ATOM 2824 OH2 TIP3 432 -13.457 -14.084 -20.593 0.00 0.00 WAT1 ATOM 2825 H1 TIP3 432 -13.012 -14.876 -20.290 0.00 0.00 WAT1 ATOM 2826 H2 TIP3 432 -12.992 -13.368 -20.162 0.00 0.00 WAT1 ATOM 2827 OH2 TIP3 433 -5.420 -0.540 -13.762 0.00 0.00 WAT1 ATOM 2828 H1 TIP3 433 -5.234 -0.874 -12.884 0.00 0.00 WAT1 ATOM 2829 H2 TIP3 433 -4.572 -0.231 -14.084 0.00 0.00 WAT1 ATOM 2830 OH2 TIP3 434 -3.075 0.745 -14.518 0.00 0.00 WAT1 ATOM 2831 H1 TIP3 434 -2.397 0.113 -14.758 0.00 0.00 WAT1 ATOM 2832 H2 TIP3 434 -2.752 1.147 -13.710 0.00 0.00 WAT1 ATOM 2833 OH2 TIP3 435 -9.861 0.917 -17.645 0.00 0.00 WAT1 ATOM 2834 H1 TIP3 435 -10.726 0.989 -17.241 0.00 0.00 WAT1 ATOM 2835 H2 TIP3 435 -9.916 1.464 -18.428 0.00 0.00 WAT1 ATOM 2836 OH2 TIP3 436 -5.151 0.805 -18.468 0.00 0.00 WAT1 ATOM 2837 H1 TIP3 436 -5.607 1.334 -19.122 0.00 0.00 WAT1 ATOM 2838 H2 TIP3 436 -4.987 1.408 -17.743 0.00 0.00 WAT1 ATOM 2839 OH2 TIP3 437 -12.913 -0.060 -19.764 0.00 0.00 WAT1 ATOM 2840 H1 TIP3 437 -12.933 -0.485 -18.907 0.00 0.00 WAT1 ATOM 2841 H2 TIP3 437 -12.108 -0.378 -20.172 0.00 0.00 WAT1 ATOM 2842 OH2 TIP3 438 -10.773 -1.350 -21.108 0.00 0.00 WAT1 ATOM 2843 H1 TIP3 438 -10.992 -2.266 -20.939 0.00 0.00 WAT1 ATOM 2844 H2 TIP3 438 -9.948 -1.210 -20.642 0.00 0.00 WAT1 ATOM 2845 OH2 TIP3 439 -8.236 -0.880 -20.261 0.00 0.00 WAT1 ATOM 2846 H1 TIP3 439 -8.023 -1.768 -20.547 0.00 0.00 WAT1 ATOM 2847 H2 TIP3 439 -8.171 -0.914 -19.305 0.00 0.00 WAT1 ATOM 2848 OH2 TIP3 440 -4.726 -15.216 -21.116 0.00 0.00 WAT1 ATOM 2849 H1 TIP3 440 -5.402 -15.845 -20.860 0.00 0.00 WAT1 ATOM 2850 H2 TIP3 440 -4.162 -15.700 -21.718 0.00 0.00 WAT1 ATOM 2851 OH2 TIP3 441 -12.401 -16.582 -23.293 0.00 0.00 WAT1 ATOM 2852 H1 TIP3 441 -13.178 -16.816 -23.802 0.00 0.00 WAT1 ATOM 2853 H2 TIP3 441 -11.870 -17.379 -23.285 0.00 0.00 WAT1 ATOM 2854 OH2 TIP3 442 -7.821 -16.655 -23.480 0.00 0.00 WAT1 ATOM 2855 H1 TIP3 442 -6.947 -16.267 -23.511 0.00 0.00 WAT1 ATOM 2856 H2 TIP3 442 -7.957 -16.870 -22.558 0.00 0.00 WAT1 ATOM 2857 OH2 TIP3 443 -2.264 -16.625 -21.831 0.00 0.00 WAT1 ATOM 2858 H1 TIP3 443 -2.188 -16.530 -22.780 0.00 0.00 WAT1 ATOM 2859 H2 TIP3 443 -2.539 -17.533 -21.703 0.00 0.00 WAT1 ATOM 2860 OH2 TIP3 444 2.663 -14.137 0.207 0.00 0.00 WAT1 ATOM 2861 H1 TIP3 444 2.712 -13.527 0.942 0.00 0.00 WAT1 ATOM 2862 H2 TIP3 444 3.090 -13.676 -0.516 0.00 0.00 WAT1 ATOM 2863 OH2 TIP3 445 -1.982 -13.112 -4.653 0.00 0.00 WAT1 ATOM 2864 H1 TIP3 445 -1.335 -13.441 -4.028 0.00 0.00 WAT1 ATOM 2865 H2 TIP3 445 -1.471 -12.594 -5.277 0.00 0.00 WAT1 ATOM 2866 OH2 TIP3 446 -0.218 -13.821 -2.672 0.00 0.00 WAT1 ATOM 2867 H1 TIP3 446 -0.433 -14.587 -2.140 0.00 0.00 WAT1 ATOM 2868 H2 TIP3 446 0.439 -13.349 -2.159 0.00 0.00 WAT1 ATOM 2869 OH2 TIP3 447 -6.867 -17.019 -1.527 0.00 0.00 WAT1 ATOM 2870 H1 TIP3 447 -6.984 -17.968 -1.581 0.00 0.00 WAT1 ATOM 2871 H2 TIP3 447 -7.723 -16.687 -1.254 0.00 0.00 WAT1 ATOM 2872 OH2 TIP3 448 -0.760 -3.710 -5.277 0.00 0.00 WAT1 ATOM 2873 H1 TIP3 448 -1.016 -4.400 -5.889 0.00 0.00 WAT1 ATOM 2874 H2 TIP3 448 -0.689 -4.153 -4.431 0.00 0.00 WAT1 ATOM 2875 OH2 TIP3 449 -4.546 -9.724 -9.989 0.00 0.00 WAT1 ATOM 2876 H1 TIP3 449 -3.845 -9.702 -9.338 0.00 0.00 WAT1 ATOM 2877 H2 TIP3 449 -4.245 -10.352 -10.644 0.00 0.00 WAT1 ATOM 2878 OH2 TIP3 450 -2.324 -8.810 -8.390 0.00 0.00 WAT1 ATOM 2879 H1 TIP3 450 -1.745 -8.660 -7.643 0.00 0.00 WAT1 ATOM 2880 H2 TIP3 450 -1.909 -8.339 -9.114 0.00 0.00 WAT1 ATOM 2881 OH2 TIP3 451 -2.023 0.037 -9.537 0.00 0.00 WAT1 ATOM 2882 H1 TIP3 451 -1.649 -0.707 -10.008 0.00 0.00 WAT1 ATOM 2883 H2 TIP3 451 -2.019 -0.233 -8.620 0.00 0.00 WAT1 ATOM 2884 OH2 TIP3 452 -0.846 -7.777 -10.760 0.00 0.00 WAT1 ATOM 2885 H1 TIP3 452 -0.804 -8.000 -11.691 0.00 0.00 WAT1 ATOM 2886 H2 TIP3 452 0.003 -7.379 -10.570 0.00 0.00 WAT1 ATOM 2887 OH2 TIP3 453 -5.274 -13.901 -10.090 0.00 0.00 WAT1 ATOM 2888 H1 TIP3 453 -5.527 -13.882 -9.168 0.00 0.00 WAT1 ATOM 2889 H2 TIP3 453 -5.530 -14.773 -10.391 0.00 0.00 WAT1 ATOM 2890 OH2 TIP3 454 -8.392 -13.456 -10.989 0.00 0.00 WAT1 ATOM 2891 H1 TIP3 454 -8.822 -13.901 -10.259 0.00 0.00 WAT1 ATOM 2892 H2 TIP3 454 -9.110 -13.084 -11.502 0.00 0.00 WAT1 ATOM 2893 OH2 TIP3 455 -8.447 -11.873 -7.174 0.00 0.00 WAT1 ATOM 2894 H1 TIP3 455 -7.516 -11.744 -6.995 0.00 0.00 WAT1 ATOM 2895 H2 TIP3 455 -8.662 -11.203 -7.822 0.00 0.00 WAT1 ATOM 2896 OH2 TIP3 456 -2.541 -13.299 -9.472 0.00 0.00 WAT1 ATOM 2897 H1 TIP3 456 -3.478 -13.187 -9.623 0.00 0.00 WAT1 ATOM 2898 H2 TIP3 456 -2.244 -12.442 -9.165 0.00 0.00 WAT1 ATOM 2899 OH2 TIP3 457 -1.822 -11.432 -7.810 0.00 0.00 WAT1 ATOM 2900 H1 TIP3 457 -0.931 -11.569 -7.492 0.00 0.00 WAT1 ATOM 2901 H2 TIP3 457 -1.766 -10.641 -8.348 0.00 0.00 WAT1 ATOM 2902 OH2 TIP3 458 1.359 -2.436 -7.652 0.00 0.00 WAT1 ATOM 2903 H1 TIP3 458 0.986 -3.262 -7.341 0.00 0.00 WAT1 ATOM 2904 H2 TIP3 458 1.636 -2.619 -8.549 0.00 0.00 WAT1 ATOM 2905 OH2 TIP3 459 -1.250 -4.460 -9.831 0.00 0.00 WAT1 ATOM 2906 H1 TIP3 459 -0.896 -4.840 -9.027 0.00 0.00 WAT1 ATOM 2907 H2 TIP3 459 -2.199 -4.553 -9.745 0.00 0.00 WAT1 ATOM 2908 OH2 TIP3 460 3.254 0.020 -9.630 0.00 0.00 WAT1 ATOM 2909 H1 TIP3 460 3.997 0.606 -9.770 0.00 0.00 WAT1 ATOM 2910 H2 TIP3 460 2.560 0.588 -9.296 0.00 0.00 WAT1 ATOM 2911 OH2 TIP3 461 -0.383 -5.787 -7.604 0.00 0.00 WAT1 ATOM 2912 H1 TIP3 461 -0.660 -6.515 -7.049 0.00 0.00 WAT1 ATOM 2913 H2 TIP3 461 0.543 -5.668 -7.399 0.00 0.00 WAT1 ATOM 2914 OH2 TIP3 462 -3.152 -14.211 -7.041 0.00 0.00 WAT1 ATOM 2915 H1 TIP3 462 -2.933 -13.739 -7.845 0.00 0.00 WAT1 ATOM 2916 H2 TIP3 462 -2.595 -13.816 -6.370 0.00 0.00 WAT1 ATOM 2917 OH2 TIP3 463 -5.069 -15.402 -5.268 0.00 0.00 WAT1 ATOM 2918 H1 TIP3 463 -5.415 -14.784 -4.623 0.00 0.00 WAT1 ATOM 2919 H2 TIP3 463 -4.410 -14.901 -5.749 0.00 0.00 WAT1 ATOM 2920 OH2 TIP3 464 -9.412 -14.339 -8.581 0.00 0.00 WAT1 ATOM 2921 H1 TIP3 464 -9.495 -13.450 -8.235 0.00 0.00 WAT1 ATOM 2922 H2 TIP3 464 -8.521 -14.604 -8.350 0.00 0.00 WAT1 ATOM 2923 OH2 TIP3 465 -12.029 -16.465 -1.732 0.00 0.00 WAT1 ATOM 2924 H1 TIP3 465 -12.258 -16.406 -2.659 0.00 0.00 WAT1 ATOM 2925 H2 TIP3 465 -12.471 -17.257 -1.425 0.00 0.00 WAT1 ATOM 2926 OH2 TIP3 466 -0.516 -1.668 -11.011 0.00 0.00 WAT1 ATOM 2927 H1 TIP3 466 -0.234 -2.462 -10.558 0.00 0.00 WAT1 ATOM 2928 H2 TIP3 466 0.223 -1.435 -11.572 0.00 0.00 WAT1 ATOM 2929 OH2 TIP3 467 -7.341 -9.543 -10.585 0.00 0.00 WAT1 ATOM 2930 H1 TIP3 467 -7.521 -9.697 -11.513 0.00 0.00 WAT1 ATOM 2931 H2 TIP3 467 -6.391 -9.435 -10.541 0.00 0.00 WAT1 ATOM 2932 OH2 TIP3 468 2.507 -6.319 -7.165 0.00 0.00 WAT1 ATOM 2933 H1 TIP3 468 3.358 -5.898 -7.037 0.00 0.00 WAT1 ATOM 2934 H2 TIP3 468 2.513 -7.059 -6.557 0.00 0.00 WAT1 ATOM 2935 OH2 TIP3 469 2.901 -8.266 -5.341 0.00 0.00 WAT1 ATOM 2936 H1 TIP3 469 2.176 -8.745 -4.944 0.00 0.00 WAT1 ATOM 2937 H2 TIP3 469 3.483 -8.060 -4.610 0.00 0.00 WAT1 ATOM 2938 OH2 TIP3 470 0.689 -9.745 -4.778 0.00 0.00 WAT1 ATOM 2939 H1 TIP3 470 0.538 -10.690 -4.798 0.00 0.00 WAT1 ATOM 2940 H2 TIP3 470 0.335 -9.464 -3.934 0.00 0.00 WAT1 ATOM 2941 OH2 TIP3 471 0.399 -12.162 -6.316 0.00 0.00 WAT1 ATOM 2942 H1 TIP3 471 0.678 -13.069 -6.191 0.00 0.00 WAT1 ATOM 2943 H2 TIP3 471 1.157 -11.728 -6.706 0.00 0.00 WAT1 ATOM 2944 OH2 TIP3 472 1.013 -14.899 -6.268 0.00 0.00 WAT1 ATOM 2945 H1 TIP3 472 1.194 -15.348 -5.442 0.00 0.00 WAT1 ATOM 2946 H2 TIP3 472 0.412 -15.484 -6.732 0.00 0.00 WAT1 ATOM 2947 OH2 TIP3 473 -0.069 0.157 -4.668 0.00 0.00 WAT1 ATOM 2948 H1 TIP3 473 0.583 -0.190 -5.276 0.00 0.00 WAT1 ATOM 2949 H2 TIP3 473 0.441 0.646 -4.021 0.00 0.00 WAT1 ATOM 2950 OH2 TIP3 474 0.415 -17.109 -2.147 0.00 0.00 WAT1 ATOM 2951 H1 TIP3 474 1.019 -16.561 -2.648 0.00 0.00 WAT1 ATOM 2952 H2 TIP3 474 -0.454 -16.789 -2.388 0.00 0.00 WAT1 ATOM 2953 OH2 TIP3 475 2.143 -15.970 -3.813 0.00 0.00 WAT1 ATOM 2954 H1 TIP3 475 2.754 -16.484 -4.341 0.00 0.00 WAT1 ATOM 2955 H2 TIP3 475 2.526 -15.092 -3.790 0.00 0.00 WAT1 ATOM 2956 OH2 TIP3 476 -12.401 -16.582 -4.438 0.00 0.00 WAT1 ATOM 2957 H1 TIP3 476 -13.178 -16.816 -4.946 0.00 0.00 WAT1 ATOM 2958 H2 TIP3 476 -11.870 -17.379 -4.429 0.00 0.00 WAT1 ATOM 2959 OH2 TIP3 477 -13.564 -16.784 -8.634 0.00 0.00 WAT1 ATOM 2960 H1 TIP3 477 -13.125 -16.173 -9.226 0.00 0.00 WAT1 ATOM 2961 H2 TIP3 477 -14.198 -16.246 -8.161 0.00 0.00 WAT1 ATOM 2962 OH2 TIP3 478 -7.821 -16.655 -4.624 0.00 0.00 WAT1 ATOM 2963 H1 TIP3 478 -6.947 -16.267 -4.655 0.00 0.00 WAT1 ATOM 2964 H2 TIP3 478 -7.957 -16.870 -3.702 0.00 0.00 WAT1 ATOM 2965 OH2 TIP3 479 -2.264 -16.625 -2.975 0.00 0.00 WAT1 ATOM 2966 H1 TIP3 479 -2.188 -16.530 -3.925 0.00 0.00 WAT1 ATOM 2967 H2 TIP3 479 -2.539 -17.533 -2.846 0.00 0.00 WAT1 ATOM 2968 OH2 TIP3 480 -0.910 -16.599 -7.283 0.00 0.00 WAT1 ATOM 2969 H1 TIP3 480 -1.614 -15.985 -7.492 0.00 0.00 WAT1 ATOM 2970 H2 TIP3 480 -1.356 -17.437 -7.152 0.00 0.00 WAT1 ATOM 2971 OH2 TIP3 481 -6.676 -14.575 -7.735 0.00 0.00 WAT1 ATOM 2972 H1 TIP3 481 -6.498 -15.221 -7.052 0.00 0.00 WAT1 ATOM 2973 H2 TIP3 481 -6.731 -13.741 -7.268 0.00 0.00 WAT1 ATOM 2974 OH2 TIP3 482 1.910 -0.063 -6.659 0.00 0.00 WAT1 ATOM 2975 H1 TIP3 482 1.716 -0.811 -7.225 0.00 0.00 WAT1 ATOM 2976 H2 TIP3 482 1.872 0.695 -7.243 0.00 0.00 WAT1 ATOM 2977 OH2 TIP3 483 -0.683 -5.232 16.098 0.00 0.00 WAT1 ATOM 2978 H1 TIP3 483 -1.123 -5.952 16.547 0.00 0.00 WAT1 ATOM 2979 H2 TIP3 483 -0.696 -4.511 16.727 0.00 0.00 WAT1 ATOM 2980 OH2 TIP3 484 -2.858 -11.344 18.529 0.00 0.00 WAT1 ATOM 2981 H1 TIP3 484 -2.716 -12.291 18.550 0.00 0.00 WAT1 ATOM 2982 H2 TIP3 484 -2.965 -11.137 17.601 0.00 0.00 WAT1 ATOM 2983 OH2 TIP3 485 -1.982 -13.112 14.203 0.00 0.00 WAT1 ATOM 2984 H1 TIP3 485 -1.335 -13.441 14.828 0.00 0.00 WAT1 ATOM 2985 H2 TIP3 485 -1.471 -12.594 13.579 0.00 0.00 WAT1 ATOM 2986 OH2 TIP3 486 -10.893 -14.325 19.875 0.00 0.00 WAT1 ATOM 2987 H1 TIP3 486 -11.113 -13.795 19.110 0.00 0.00 WAT1 ATOM 2988 H2 TIP3 486 -11.561 -14.098 20.523 0.00 0.00 WAT1 ATOM 2989 OH2 TIP3 487 -0.218 -13.821 16.183 0.00 0.00 WAT1 ATOM 2990 H1 TIP3 487 -0.433 -14.587 16.715 0.00 0.00 WAT1 ATOM 2991 H2 TIP3 487 0.439 -13.349 16.697 0.00 0.00 WAT1 ATOM 2992 OH2 TIP3 488 -0.170 -3.392 18.445 0.00 0.00 WAT1 ATOM 2993 H1 TIP3 488 -1.112 -3.334 18.607 0.00 0.00 WAT1 ATOM 2994 H2 TIP3 488 0.106 -2.486 18.309 0.00 0.00 WAT1 ATOM 2995 OH2 TIP3 489 -6.867 -17.019 17.329 0.00 0.00 WAT1 ATOM 2996 H1 TIP3 489 -6.984 -17.968 17.274 0.00 0.00 WAT1 ATOM 2997 H2 TIP3 489 -7.723 -16.687 17.602 0.00 0.00 WAT1 ATOM 2998 OH2 TIP3 490 -1.298 -9.798 21.849 0.00 0.00 WAT1 ATOM 2999 H1 TIP3 490 -1.218 -9.035 22.421 0.00 0.00 WAT1 ATOM 3000 H2 TIP3 490 -1.898 -9.519 21.157 0.00 0.00 WAT1 ATOM 3001 OH2 TIP3 491 -2.873 -3.070 19.030 0.00 0.00 WAT1 ATOM 3002 H1 TIP3 491 -3.115 -2.408 19.678 0.00 0.00 WAT1 ATOM 3003 H2 TIP3 491 -3.071 -3.904 19.456 0.00 0.00 WAT1 ATOM 3004 OH2 TIP3 492 -8.303 -4.174 23.014 0.00 0.00 WAT1 ATOM 3005 H1 TIP3 492 -8.614 -3.392 23.470 0.00 0.00 WAT1 ATOM 3006 H2 TIP3 492 -8.953 -4.327 22.328 0.00 0.00 WAT1 ATOM 3007 OH2 TIP3 493 -10.064 -2.102 23.777 0.00 0.00 WAT1 ATOM 3008 H1 TIP3 493 -10.056 -2.238 22.829 0.00 0.00 WAT1 ATOM 3009 H2 TIP3 493 -10.979 -2.220 24.029 0.00 0.00 WAT1 ATOM 3010 OH2 TIP3 494 -5.540 -2.889 22.509 0.00 0.00 WAT1 ATOM 3011 H1 TIP3 494 -5.452 -2.063 22.985 0.00 0.00 WAT1 ATOM 3012 H2 TIP3 494 -6.404 -3.219 22.759 0.00 0.00 WAT1 ATOM 3013 OH2 TIP3 495 -9.598 -16.116 18.107 0.00 0.00 WAT1 ATOM 3014 H1 TIP3 495 -10.460 -16.203 17.698 0.00 0.00 WAT1 ATOM 3015 H2 TIP3 495 -9.620 -15.260 18.534 0.00 0.00 WAT1 ATOM 3016 OH2 TIP3 496 -4.873 -10.338 24.419 0.00 0.00 WAT1 ATOM 3017 H1 TIP3 496 -5.436 -11.042 24.739 0.00 0.00 WAT1 ATOM 3018 H2 TIP3 496 -4.046 -10.458 24.886 0.00 0.00 WAT1 ATOM 3019 OH2 TIP3 497 -2.970 -11.067 15.745 0.00 0.00 WAT1 ATOM 3020 H1 TIP3 497 -3.166 -10.462 15.030 0.00 0.00 WAT1 ATOM 3021 H2 TIP3 497 -2.788 -11.901 15.309 0.00 0.00 WAT1 ATOM 3022 OH2 TIP3 498 -3.707 -9.429 20.416 0.00 0.00 WAT1 ATOM 3023 H1 TIP3 498 -3.382 -10.060 19.773 0.00 0.00 WAT1 ATOM 3024 H2 TIP3 498 -4.146 -9.964 21.076 0.00 0.00 WAT1 ATOM 3025 OH2 TIP3 499 -11.639 -6.121 24.349 0.00 0.00 WAT1 ATOM 3026 H1 TIP3 499 -10.905 -5.867 24.910 0.00 0.00 WAT1 ATOM 3027 H2 TIP3 499 -12.418 -5.917 24.864 0.00 0.00 WAT1 ATOM 3028 OH2 TIP3 500 -6.982 -12.326 19.500 0.00 0.00 WAT1 ATOM 3029 H1 TIP3 500 -7.817 -11.872 19.611 0.00 0.00 WAT1 ATOM 3030 H2 TIP3 500 -6.458 -12.050 20.253 0.00 0.00 WAT1 ATOM 3031 OH2 TIP3 501 0.712 -6.980 19.971 0.00 0.00 WAT1 ATOM 3032 H1 TIP3 501 1.354 -6.523 19.428 0.00 0.00 WAT1 ATOM 3033 H2 TIP3 501 -0.119 -6.867 19.509 0.00 0.00 WAT1 ATOM 3034 OH2 TIP3 502 -4.918 -5.929 22.422 0.00 0.00 WAT1 ATOM 3035 H1 TIP3 502 -5.264 -6.310 23.229 0.00 0.00 WAT1 ATOM 3036 H2 TIP3 502 -5.119 -4.995 22.494 0.00 0.00 WAT1 ATOM 3037 OH2 TIP3 503 -14.305 -8.357 22.270 0.00 0.00 WAT1 ATOM 3038 H1 TIP3 503 -14.082 -8.775 23.102 0.00 0.00 WAT1 ATOM 3039 H2 TIP3 503 -14.907 -8.970 21.848 0.00 0.00 WAT1 ATOM 3040 OH2 TIP3 504 -7.288 -8.840 24.483 0.00 0.00 WAT1 ATOM 3041 H1 TIP3 504 -7.585 -9.006 23.587 0.00 0.00 WAT1 ATOM 3042 H2 TIP3 504 -6.357 -9.060 24.473 0.00 0.00 WAT1 ATOM 3043 OH2 TIP3 505 -2.668 -3.467 22.373 0.00 0.00 WAT1 ATOM 3044 H1 TIP3 505 -3.570 -3.284 22.105 0.00 0.00 WAT1 ATOM 3045 H2 TIP3 505 -2.635 -3.208 23.294 0.00 0.00 WAT1 ATOM 3046 OH2 TIP3 506 3.062 -11.222 10.739 0.00 0.00 WAT1 ATOM 3047 H1 TIP3 506 2.509 -11.618 10.068 0.00 0.00 WAT1 ATOM 3048 H2 TIP3 506 3.163 -10.312 10.463 0.00 0.00 WAT1 ATOM 3049 OH2 TIP3 507 -1.481 -7.628 18.227 0.00 0.00 WAT1 ATOM 3050 H1 TIP3 507 -2.409 -7.860 18.200 0.00 0.00 WAT1 ATOM 3051 H2 TIP3 507 -1.030 -8.405 17.896 0.00 0.00 WAT1 ATOM 3052 OH2 TIP3 508 3.254 0.020 9.227 0.00 0.00 WAT1 ATOM 3053 H1 TIP3 508 3.997 0.606 9.087 0.00 0.00 WAT1 ATOM 3054 H2 TIP3 508 2.560 0.588 9.559 0.00 0.00 WAT1 ATOM 3055 OH2 TIP3 509 -12.671 -13.604 21.828 0.00 0.00 WAT1 ATOM 3056 H1 TIP3 509 -13.564 -13.265 21.761 0.00 0.00 WAT1 ATOM 3057 H2 TIP3 509 -12.771 -14.459 22.245 0.00 0.00 WAT1 ATOM 3058 OH2 TIP3 510 -3.937 -13.863 20.718 0.00 0.00 WAT1 ATOM 3059 H1 TIP3 510 -3.239 -13.789 21.367 0.00 0.00 WAT1 ATOM 3060 H2 TIP3 510 -4.317 -14.727 20.873 0.00 0.00 WAT1 ATOM 3061 OH2 TIP3 511 -5.417 -11.497 21.834 0.00 0.00 WAT1 ATOM 3062 H1 TIP3 511 -5.298 -10.923 22.591 0.00 0.00 WAT1 ATOM 3063 H2 TIP3 511 -4.761 -12.185 21.950 0.00 0.00 WAT1 ATOM 3064 OH2 TIP3 512 -0.611 -9.839 16.765 0.00 0.00 WAT1 ATOM 3065 H1 TIP3 512 -1.407 -10.254 16.436 0.00 0.00 WAT1 ATOM 3066 H2 TIP3 512 -0.165 -10.530 17.256 0.00 0.00 WAT1 ATOM 3067 OH2 TIP3 513 0.476 -0.583 18.387 0.00 0.00 WAT1 ATOM 3068 H1 TIP3 513 0.321 0.095 17.730 0.00 0.00 WAT1 ATOM 3069 H2 TIP3 513 1.409 -0.511 18.590 0.00 0.00 WAT1 ATOM 3070 OH2 TIP3 514 -12.029 -16.465 17.125 0.00 0.00 WAT1 ATOM 3071 H1 TIP3 514 -12.258 -16.406 16.198 0.00 0.00 WAT1 ATOM 3072 H2 TIP3 514 -12.471 -17.257 17.431 0.00 0.00 WAT1 ATOM 3073 OH2 TIP3 515 -13.809 0.088 24.616 0.00 0.00 WAT1 ATOM 3074 H1 TIP3 515 -13.270 -0.129 25.375 0.00 0.00 WAT1 ATOM 3075 H2 TIP3 515 -14.291 -0.718 24.425 0.00 0.00 WAT1 ATOM 3076 OH2 TIP3 516 -13.902 -6.102 25.569 0.00 0.00 WAT1 ATOM 3077 H1 TIP3 516 -13.758 -7.004 25.284 0.00 0.00 WAT1 ATOM 3078 H2 TIP3 516 -14.675 -5.816 25.081 0.00 0.00 WAT1 ATOM 3079 OH2 TIP3 517 -7.248 -6.132 25.002 0.00 0.00 WAT1 ATOM 3080 H1 TIP3 517 -7.575 -5.861 24.145 0.00 0.00 WAT1 ATOM 3081 H2 TIP3 517 -7.096 -7.073 24.915 0.00 0.00 WAT1 ATOM 3082 OH2 TIP3 518 -1.513 -6.216 22.386 0.00 0.00 WAT1 ATOM 3083 H1 TIP3 518 -0.768 -5.628 22.265 0.00 0.00 WAT1 ATOM 3084 H2 TIP3 518 -2.269 -5.634 22.448 0.00 0.00 WAT1 ATOM 3085 OH2 TIP3 519 -13.070 -8.902 24.989 0.00 0.00 WAT1 ATOM 3086 H1 TIP3 519 -12.662 -9.759 24.869 0.00 0.00 WAT1 ATOM 3087 H2 TIP3 519 -13.331 -8.887 25.910 0.00 0.00 WAT1 ATOM 3088 OH2 TIP3 520 -9.123 -9.893 22.364 0.00 0.00 WAT1 ATOM 3089 H1 TIP3 520 -9.742 -9.218 22.645 0.00 0.00 WAT1 ATOM 3090 H2 TIP3 520 -8.780 -9.572 21.530 0.00 0.00 WAT1 ATOM 3091 OH2 TIP3 521 -4.104 -7.422 25.642 0.00 0.00 WAT1 ATOM 3092 H1 TIP3 521 -3.151 -7.338 25.614 0.00 0.00 WAT1 ATOM 3093 H2 TIP3 521 -4.264 -8.133 26.261 0.00 0.00 WAT1 ATOM 3094 OH2 TIP3 522 -8.784 -12.538 23.447 0.00 0.00 WAT1 ATOM 3095 H1 TIP3 522 -8.633 -13.267 22.843 0.00 0.00 WAT1 ATOM 3096 H2 TIP3 522 -8.781 -11.761 22.887 0.00 0.00 WAT1 ATOM 3097 OH2 TIP3 523 -8.372 -14.168 20.939 0.00 0.00 WAT1 ATOM 3098 H1 TIP3 523 -7.835 -13.717 20.287 0.00 0.00 WAT1 ATOM 3099 H2 TIP3 523 -9.223 -14.276 20.517 0.00 0.00 WAT1 ATOM 3100 OH2 TIP3 524 -1.058 -8.125 24.285 0.00 0.00 WAT1 ATOM 3101 H1 TIP3 524 -1.338 -7.416 23.706 0.00 0.00 WAT1 ATOM 3102 H2 TIP3 524 -0.114 -8.198 24.134 0.00 0.00 WAT1 ATOM 3103 OH2 TIP3 525 -10.306 -11.340 25.358 0.00 0.00 WAT1 ATOM 3104 H1 TIP3 525 -11.072 -11.872 25.148 0.00 0.00 WAT1 ATOM 3105 H2 TIP3 525 -9.627 -11.650 24.759 0.00 0.00 WAT1 ATOM 3106 OH2 TIP3 526 -12.125 -13.419 25.062 0.00 0.00 WAT1 ATOM 3107 H1 TIP3 526 -11.913 -14.126 24.451 0.00 0.00 WAT1 ATOM 3108 H2 TIP3 526 -12.236 -13.857 25.907 0.00 0.00 WAT1 ATOM 3109 OH2 TIP3 527 3.192 0.067 18.617 0.00 0.00 WAT1 ATOM 3110 H1 TIP3 527 3.170 0.252 19.556 0.00 0.00 WAT1 ATOM 3111 H2 TIP3 527 3.882 0.636 18.276 0.00 0.00 WAT1 ATOM 3112 OH2 TIP3 528 2.901 -8.266 13.514 0.00 0.00 WAT1 ATOM 3113 H1 TIP3 528 2.176 -8.745 13.913 0.00 0.00 WAT1 ATOM 3114 H2 TIP3 528 3.483 -8.060 14.247 0.00 0.00 WAT1 ATOM 3115 OH2 TIP3 529 0.689 -9.745 14.078 0.00 0.00 WAT1 ATOM 3116 H1 TIP3 529 0.538 -10.690 14.058 0.00 0.00 WAT1 ATOM 3117 H2 TIP3 529 0.335 -9.464 14.921 0.00 0.00 WAT1 ATOM 3118 OH2 TIP3 530 -14.678 -12.396 24.229 0.00 0.00 WAT1 ATOM 3119 H1 TIP3 530 -13.759 -12.518 24.465 0.00 0.00 WAT1 ATOM 3120 H2 TIP3 530 -15.128 -13.146 24.617 0.00 0.00 WAT1 ATOM 3121 OH2 TIP3 531 1.013 -14.899 12.588 0.00 0.00 WAT1 ATOM 3122 H1 TIP3 531 1.194 -15.348 13.414 0.00 0.00 WAT1 ATOM 3123 H2 TIP3 531 0.412 -15.484 12.125 0.00 0.00 WAT1 ATOM 3124 OH2 TIP3 532 -14.877 -16.089 20.587 0.00 0.00 WAT1 ATOM 3125 H1 TIP3 532 -15.541 -16.335 21.230 0.00 0.00 WAT1 ATOM 3126 H2 TIP3 532 -15.320 -15.467 20.011 0.00 0.00 WAT1 ATOM 3127 OH2 TIP3 533 -12.684 -2.914 24.732 0.00 0.00 WAT1 ATOM 3128 H1 TIP3 533 -13.505 -2.739 24.271 0.00 0.00 WAT1 ATOM 3129 H2 TIP3 533 -12.936 -2.987 25.652 0.00 0.00 WAT1 ATOM 3130 OH2 TIP3 534 -9.730 -1.939 20.991 0.00 0.00 WAT1 ATOM 3131 H1 TIP3 534 -10.155 -1.130 20.707 0.00 0.00 WAT1 ATOM 3132 H2 TIP3 534 -8.825 -1.854 20.689 0.00 0.00 WAT1 ATOM 3133 OH2 TIP3 535 -5.420 -0.540 23.950 0.00 0.00 WAT1 ATOM 3134 H1 TIP3 535 -5.234 -0.874 24.828 0.00 0.00 WAT1 ATOM 3135 H2 TIP3 535 -4.572 -0.231 23.628 0.00 0.00 WAT1 ATOM 3136 OH2 TIP3 536 -12.329 1.317 21.038 0.00 0.00 WAT1 ATOM 3137 H1 TIP3 536 -13.049 1.757 20.587 0.00 0.00 WAT1 ATOM 3138 H2 TIP3 536 -12.694 1.066 21.887 0.00 0.00 WAT1 ATOM 3139 OH2 TIP3 537 -5.151 0.805 19.244 0.00 0.00 WAT1 ATOM 3140 H1 TIP3 537 -5.607 1.334 18.590 0.00 0.00 WAT1 ATOM 3141 H2 TIP3 537 -4.987 1.408 19.968 0.00 0.00 WAT1 ATOM 3142 OH2 TIP3 538 -2.824 -0.317 20.189 0.00 0.00 WAT1 ATOM 3143 H1 TIP3 538 -3.728 -0.152 19.922 0.00 0.00 WAT1 ATOM 3144 H2 TIP3 538 -2.394 0.536 20.123 0.00 0.00 WAT1 ATOM 3145 OH2 TIP3 539 -0.218 1.253 20.483 0.00 0.00 WAT1 ATOM 3146 H1 TIP3 539 -0.401 2.169 20.273 0.00 0.00 WAT1 ATOM 3147 H2 TIP3 539 -0.043 0.843 19.637 0.00 0.00 WAT1 ATOM 3148 OH2 TIP3 540 -4.726 -15.216 16.596 0.00 0.00 WAT1 ATOM 3149 H1 TIP3 540 -5.402 -15.845 16.852 0.00 0.00 WAT1 ATOM 3150 H2 TIP3 540 -4.162 -15.700 15.994 0.00 0.00 WAT1 ATOM 3151 OH2 TIP3 541 0.415 -17.109 16.709 0.00 0.00 WAT1 ATOM 3152 H1 TIP3 541 1.019 -16.561 16.207 0.00 0.00 WAT1 ATOM 3153 H2 TIP3 541 -0.454 -16.789 16.468 0.00 0.00 WAT1 ATOM 3154 OH2 TIP3 542 2.143 -15.970 15.043 0.00 0.00 WAT1 ATOM 3155 H1 TIP3 542 2.754 -16.484 14.515 0.00 0.00 WAT1 ATOM 3156 H2 TIP3 542 2.526 -15.092 15.066 0.00 0.00 WAT1 ATOM 3157 OH2 TIP3 543 -2.264 -16.625 15.880 0.00 0.00 WAT1 ATOM 3158 H1 TIP3 543 -2.188 -16.530 14.931 0.00 0.00 WAT1 ATOM 3159 H2 TIP3 543 -2.539 -17.533 16.009 0.00 0.00 WAT1 ATOM 3160 OH2 TIP3 544 -9.562 -5.758 26.557 0.00 0.00 WAT1 ATOM 3161 H1 TIP3 544 -9.498 -6.552 27.088 0.00 0.00 WAT1 ATOM 3162 H2 TIP3 544 -8.909 -5.877 25.868 0.00 0.00 WAT1 ATOM 3163 OH2 TIP3 545 -13.875 -4.216 27.610 0.00 0.00 WAT1 ATOM 3164 H1 TIP3 545 -12.962 -4.137 27.883 0.00 0.00 WAT1 ATOM 3165 H2 TIP3 545 -13.869 -4.903 26.944 0.00 0.00 WAT1 ATOM 3166 OH2 TIP3 546 3.055 6.197 -16.413 0.00 0.00 WAT1 ATOM 3167 H1 TIP3 546 2.366 6.855 -16.508 0.00 0.00 WAT1 ATOM 3168 H2 TIP3 546 3.071 6.000 -15.476 0.00 0.00 WAT1 ATOM 3169 OH2 TIP3 547 -10.893 4.531 -17.837 0.00 0.00 WAT1 ATOM 3170 H1 TIP3 547 -11.113 5.061 -18.602 0.00 0.00 WAT1 ATOM 3171 H2 TIP3 547 -11.561 4.758 -17.188 0.00 0.00 WAT1 ATOM 3172 OH2 TIP3 548 -6.867 1.837 -20.383 0.00 0.00 WAT1 ATOM 3173 H1 TIP3 548 -6.984 0.888 -20.438 0.00 0.00 WAT1 ATOM 3174 H2 TIP3 548 -7.723 2.169 -20.110 0.00 0.00 WAT1 ATOM 3175 OH2 TIP3 549 0.926 13.712 -15.655 0.00 0.00 WAT1 ATOM 3176 H1 TIP3 549 1.066 13.121 -16.395 0.00 0.00 WAT1 ATOM 3177 H2 TIP3 549 1.095 14.585 -16.011 0.00 0.00 WAT1 ATOM 3178 OH2 TIP3 550 2.769 10.052 -17.590 0.00 0.00 WAT1 ATOM 3179 H1 TIP3 550 2.117 10.747 -17.500 0.00 0.00 WAT1 ATOM 3180 H2 TIP3 550 3.234 10.262 -18.399 0.00 0.00 WAT1 ATOM 3181 OH2 TIP3 551 -1.298 9.058 -15.863 0.00 0.00 WAT1 ATOM 3182 H1 TIP3 551 -1.218 9.821 -15.291 0.00 0.00 WAT1 ATOM 3183 H2 TIP3 551 -1.898 9.337 -16.554 0.00 0.00 WAT1 ATOM 3184 OH2 TIP3 552 3.481 16.393 -14.078 0.00 0.00 WAT1 ATOM 3185 H1 TIP3 552 3.433 15.438 -14.115 0.00 0.00 WAT1 ATOM 3186 H2 TIP3 552 2.655 16.661 -13.676 0.00 0.00 WAT1 ATOM 3187 OH2 TIP3 553 0.633 7.886 -13.598 0.00 0.00 WAT1 ATOM 3188 H1 TIP3 553 0.226 8.367 -14.319 0.00 0.00 WAT1 ATOM 3189 H2 TIP3 553 0.675 6.981 -13.905 0.00 0.00 WAT1 ATOM 3190 OH2 TIP3 554 -9.598 2.740 -19.605 0.00 0.00 WAT1 ATOM 3191 H1 TIP3 554 -10.460 2.653 -20.014 0.00 0.00 WAT1 ATOM 3192 H2 TIP3 554 -9.620 3.596 -19.178 0.00 0.00 WAT1 ATOM 3193 OH2 TIP3 555 -4.936 2.462 -16.232 0.00 0.00 WAT1 ATOM 3194 H1 TIP3 555 -4.516 2.047 -15.479 0.00 0.00 WAT1 ATOM 3195 H2 TIP3 555 -5.869 2.284 -16.114 0.00 0.00 WAT1 ATOM 3196 OH2 TIP3 556 -1.609 6.218 -15.377 0.00 0.00 WAT1 ATOM 3197 H1 TIP3 556 -2.123 6.092 -14.581 0.00 0.00 WAT1 ATOM 3198 H2 TIP3 556 -1.764 7.130 -15.622 0.00 0.00 WAT1 ATOM 3199 OH2 TIP3 557 -4.873 8.518 -13.293 0.00 0.00 WAT1 ATOM 3200 H1 TIP3 557 -5.436 7.814 -12.973 0.00 0.00 WAT1 ATOM 3201 H2 TIP3 557 -4.046 8.398 -12.826 0.00 0.00 WAT1 ATOM 3202 OH2 TIP3 558 0.712 11.876 -17.741 0.00 0.00 WAT1 ATOM 3203 H1 TIP3 558 1.354 12.333 -18.284 0.00 0.00 WAT1 ATOM 3204 H2 TIP3 558 -0.119 11.989 -18.203 0.00 0.00 WAT1 ATOM 3205 OH2 TIP3 559 -7.288 10.016 -13.229 0.00 0.00 WAT1 ATOM 3206 H1 TIP3 559 -7.585 9.850 -14.124 0.00 0.00 WAT1 ATOM 3207 H2 TIP3 559 -6.357 9.796 -13.239 0.00 0.00 WAT1 ATOM 3208 OH2 TIP3 560 3.026 13.434 -14.136 0.00 0.00 WAT1 ATOM 3209 H1 TIP3 560 2.174 13.672 -14.502 0.00 0.00 WAT1 ATOM 3210 H2 TIP3 560 3.616 13.417 -14.889 0.00 0.00 WAT1 ATOM 3211 OH2 TIP3 561 -12.671 5.252 -15.884 0.00 0.00 WAT1 ATOM 3212 H1 TIP3 561 -13.564 5.591 -15.951 0.00 0.00 WAT1 ATOM 3213 H2 TIP3 561 -12.771 4.397 -15.466 0.00 0.00 WAT1 ATOM 3214 OH2 TIP3 562 0.787 5.266 -15.043 0.00 0.00 WAT1 ATOM 3215 H1 TIP3 562 -0.128 5.529 -15.130 0.00 0.00 WAT1 ATOM 3216 H2 TIP3 562 1.123 5.263 -15.939 0.00 0.00 WAT1 ATOM 3217 OH2 TIP3 563 -12.029 2.391 -20.587 0.00 0.00 WAT1 ATOM 3218 H1 TIP3 563 -12.258 2.450 -21.514 0.00 0.00 WAT1 ATOM 3219 H2 TIP3 563 -12.471 1.599 -20.280 0.00 0.00 WAT1 ATOM 3220 OH2 TIP3 564 -13.902 12.754 -12.143 0.00 0.00 WAT1 ATOM 3221 H1 TIP3 564 -13.758 11.852 -12.428 0.00 0.00 WAT1 ATOM 3222 H2 TIP3 564 -14.675 13.040 -12.630 0.00 0.00 WAT1 ATOM 3223 OH2 TIP3 565 -1.513 12.640 -15.326 0.00 0.00 WAT1 ATOM 3224 H1 TIP3 565 -0.768 13.228 -15.447 0.00 0.00 WAT1 ATOM 3225 H2 TIP3 565 -2.269 13.222 -15.264 0.00 0.00 WAT1 ATOM 3226 OH2 TIP3 566 -13.070 9.954 -12.723 0.00 0.00 WAT1 ATOM 3227 H1 TIP3 566 -12.662 9.097 -12.843 0.00 0.00 WAT1 ATOM 3228 H2 TIP3 566 -13.331 9.969 -11.801 0.00 0.00 WAT1 ATOM 3229 OH2 TIP3 567 -4.104 11.434 -12.070 0.00 0.00 WAT1 ATOM 3230 H1 TIP3 567 -3.151 11.518 -12.098 0.00 0.00 WAT1 ATOM 3231 H2 TIP3 567 -4.264 10.723 -11.451 0.00 0.00 WAT1 ATOM 3232 OH2 TIP3 568 -8.784 6.318 -14.265 0.00 0.00 WAT1 ATOM 3233 H1 TIP3 568 -8.633 5.589 -14.868 0.00 0.00 WAT1 ATOM 3234 H2 TIP3 568 -8.781 7.095 -14.825 0.00 0.00 WAT1 ATOM 3235 OH2 TIP3 569 -8.372 4.688 -16.773 0.00 0.00 WAT1 ATOM 3236 H1 TIP3 569 -7.835 5.139 -17.425 0.00 0.00 WAT1 ATOM 3237 H2 TIP3 569 -9.223 4.580 -17.195 0.00 0.00 WAT1 ATOM 3238 OH2 TIP3 570 -1.058 10.731 -13.427 0.00 0.00 WAT1 ATOM 3239 H1 TIP3 570 -1.338 11.440 -14.005 0.00 0.00 WAT1 ATOM 3240 H2 TIP3 570 -0.114 10.658 -13.578 0.00 0.00 WAT1 ATOM 3241 OH2 TIP3 571 -10.306 7.516 -12.354 0.00 0.00 WAT1 ATOM 3242 H1 TIP3 571 -11.072 6.984 -12.564 0.00 0.00 WAT1 ATOM 3243 H2 TIP3 571 -9.627 7.206 -12.953 0.00 0.00 WAT1 ATOM 3244 OH2 TIP3 572 -7.566 2.144 -16.341 0.00 0.00 WAT1 ATOM 3245 H1 TIP3 572 -7.663 3.091 -16.447 0.00 0.00 WAT1 ATOM 3246 H2 TIP3 572 -8.309 1.772 -16.817 0.00 0.00 WAT1 ATOM 3247 OH2 TIP3 573 -6.301 6.466 -12.778 0.00 0.00 WAT1 ATOM 3248 H1 TIP3 573 -6.537 6.246 -11.877 0.00 0.00 WAT1 ATOM 3249 H2 TIP3 573 -7.085 6.259 -13.287 0.00 0.00 WAT1 ATOM 3250 OH2 TIP3 574 -3.586 5.593 -13.703 0.00 0.00 WAT1 ATOM 3251 H1 TIP3 574 -4.534 5.625 -13.570 0.00 0.00 WAT1 ATOM 3252 H2 TIP3 574 -3.273 4.968 -13.049 0.00 0.00 WAT1 ATOM 3253 OH2 TIP3 575 -1.952 4.227 -11.697 0.00 0.00 WAT1 ATOM 3254 H1 TIP3 575 -2.049 3.275 -11.704 0.00 0.00 WAT1 ATOM 3255 H2 TIP3 575 -2.273 4.496 -10.836 0.00 0.00 WAT1 ATOM 3256 OH2 TIP3 576 -7.344 1.438 -13.671 0.00 0.00 WAT1 ATOM 3257 H1 TIP3 576 -6.631 0.798 -13.684 0.00 0.00 WAT1 ATOM 3258 H2 TIP3 576 -7.444 1.705 -14.584 0.00 0.00 WAT1 ATOM 3259 OH2 TIP3 577 -6.990 3.121 -11.616 0.00 0.00 WAT1 ATOM 3260 H1 TIP3 577 -7.122 2.645 -12.438 0.00 0.00 WAT1 ATOM 3261 H2 TIP3 577 -7.590 3.865 -11.672 0.00 0.00 WAT1 ATOM 3262 OH2 TIP3 578 1.207 14.280 -11.535 0.00 0.00 WAT1 ATOM 3263 H1 TIP3 578 0.340 14.175 -11.141 0.00 0.00 WAT1 ATOM 3264 H2 TIP3 578 1.582 15.039 -11.088 0.00 0.00 WAT1 ATOM 3265 OH2 TIP3 579 1.545 11.081 -13.995 0.00 0.00 WAT1 ATOM 3266 H1 TIP3 579 2.128 10.347 -13.804 0.00 0.00 WAT1 ATOM 3267 H2 TIP3 579 2.109 11.853 -13.950 0.00 0.00 WAT1 ATOM 3268 OH2 TIP3 580 1.040 8.012 -16.960 0.00 0.00 WAT1 ATOM 3269 H1 TIP3 580 0.197 8.280 -16.595 0.00 0.00 WAT1 ATOM 3270 H2 TIP3 580 1.482 8.834 -17.171 0.00 0.00 WAT1 ATOM 3271 OH2 TIP3 581 -14.678 6.460 -13.483 0.00 0.00 WAT1 ATOM 3272 H1 TIP3 581 -13.759 6.338 -13.247 0.00 0.00 WAT1 ATOM 3273 H2 TIP3 581 -15.128 5.710 -13.095 0.00 0.00 WAT1 ATOM 3274 OH2 TIP3 582 3.323 1.992 -11.606 0.00 0.00 WAT1 ATOM 3275 H1 TIP3 582 3.673 1.338 -12.212 0.00 0.00 WAT1 ATOM 3276 H2 TIP3 582 3.469 2.829 -12.046 0.00 0.00 WAT1 ATOM 3277 OH2 TIP3 583 2.843 4.101 -13.258 0.00 0.00 WAT1 ATOM 3278 H1 TIP3 583 1.925 4.372 -13.293 0.00 0.00 WAT1 ATOM 3279 H2 TIP3 583 2.965 3.566 -14.041 0.00 0.00 WAT1 ATOM 3280 OH2 TIP3 584 -14.877 2.767 -17.124 0.00 0.00 WAT1 ATOM 3281 H1 TIP3 584 -15.541 2.521 -16.482 0.00 0.00 WAT1 ATOM 3282 H2 TIP3 584 -15.320 3.389 -17.701 0.00 0.00 WAT1 ATOM 3283 OH2 TIP3 585 -12.442 2.788 -13.776 0.00 0.00 WAT1 ATOM 3284 H1 TIP3 585 -12.809 2.023 -13.333 0.00 0.00 WAT1 ATOM 3285 H2 TIP3 585 -11.529 2.817 -13.489 0.00 0.00 WAT1 ATOM 3286 OH2 TIP3 586 -2.047 1.471 -12.058 0.00 0.00 WAT1 ATOM 3287 H1 TIP3 586 -1.972 1.045 -11.204 0.00 0.00 WAT1 ATOM 3288 H2 TIP3 586 -1.154 1.485 -12.400 0.00 0.00 WAT1 ATOM 3289 OH2 TIP3 587 1.128 17.544 -13.365 0.00 0.00 WAT1 ATOM 3290 H1 TIP3 587 0.346 17.358 -13.886 0.00 0.00 WAT1 ATOM 3291 H2 TIP3 587 1.056 18.473 -13.148 0.00 0.00 WAT1 ATOM 3292 OH2 TIP3 588 -0.683 13.624 -2.758 0.00 0.00 WAT1 ATOM 3293 H1 TIP3 588 -1.123 12.904 -2.308 0.00 0.00 WAT1 ATOM 3294 H2 TIP3 588 -0.696 14.345 -2.128 0.00 0.00 WAT1 ATOM 3295 OH2 TIP3 589 -11.096 14.750 -0.932 0.00 0.00 WAT1 ATOM 3296 H1 TIP3 589 -11.466 13.948 -1.301 0.00 0.00 WAT1 ATOM 3297 H2 TIP3 589 -10.155 14.581 -0.885 0.00 0.00 WAT1 ATOM 3298 OH2 TIP3 590 -6.000 13.118 -0.654 0.00 0.00 WAT1 ATOM 3299 H1 TIP3 590 -5.696 12.432 -1.248 0.00 0.00 WAT1 ATOM 3300 H2 TIP3 590 -5.277 13.236 -0.036 0.00 0.00 WAT1 ATOM 3301 OH2 TIP3 591 3.055 6.197 2.443 0.00 0.00 WAT1 ATOM 3302 H1 TIP3 591 2.366 6.855 2.347 0.00 0.00 WAT1 ATOM 3303 H2 TIP3 591 3.071 6.000 3.379 0.00 0.00 WAT1 ATOM 3304 OH2 TIP3 592 -3.525 14.031 -5.437 0.00 0.00 WAT1 ATOM 3305 H1 TIP3 592 -3.821 13.709 -6.287 0.00 0.00 WAT1 ATOM 3306 H2 TIP3 592 -3.849 14.931 -5.394 0.00 0.00 WAT1 ATOM 3307 OH2 TIP3 593 -9.916 14.171 2.095 0.00 0.00 WAT1 ATOM 3308 H1 TIP3 593 -9.922 15.050 1.716 0.00 0.00 WAT1 ATOM 3309 H2 TIP3 593 -10.771 14.088 2.520 0.00 0.00 WAT1 ATOM 3310 OH2 TIP3 594 -13.796 13.842 -7.123 0.00 0.00 WAT1 ATOM 3311 H1 TIP3 594 -14.067 14.071 -8.012 0.00 0.00 WAT1 ATOM 3312 H2 TIP3 594 -13.750 14.680 -6.663 0.00 0.00 WAT1 ATOM 3313 OH2 TIP3 595 -0.170 15.464 -0.410 0.00 0.00 WAT1 ATOM 3314 H1 TIP3 595 -1.112 15.522 -0.250 0.00 0.00 WAT1 ATOM 3315 H2 TIP3 595 0.106 16.370 -0.547 0.00 0.00 WAT1 ATOM 3316 OH2 TIP3 596 -1.918 17.245 -3.785 0.00 0.00 WAT1 ATOM 3317 H1 TIP3 596 -1.494 16.538 -4.271 0.00 0.00 WAT1 ATOM 3318 H2 TIP3 596 -1.601 18.046 -4.203 0.00 0.00 WAT1 ATOM 3319 OH2 TIP3 597 -0.760 15.146 -5.277 0.00 0.00 WAT1 ATOM 3320 H1 TIP3 597 -1.016 14.456 -5.889 0.00 0.00 WAT1 ATOM 3321 H2 TIP3 597 -0.689 14.703 -4.431 0.00 0.00 WAT1 ATOM 3322 OH2 TIP3 598 0.926 13.712 3.201 0.00 0.00 WAT1 ATOM 3323 H1 TIP3 598 1.066 13.121 2.462 0.00 0.00 WAT1 ATOM 3324 H2 TIP3 598 1.095 14.585 2.845 0.00 0.00 WAT1 ATOM 3325 OH2 TIP3 599 2.769 10.052 1.267 0.00 0.00 WAT1 ATOM 3326 H1 TIP3 599 2.117 10.747 1.356 0.00 0.00 WAT1 ATOM 3327 H2 TIP3 599 3.234 10.262 0.457 0.00 0.00 WAT1 ATOM 3328 OH2 TIP3 600 -8.183 14.942 -1.511 0.00 0.00 WAT1 ATOM 3329 H1 TIP3 600 -8.277 14.364 -2.268 0.00 0.00 WAT1 ATOM 3330 H2 TIP3 600 -7.454 14.571 -1.015 0.00 0.00 WAT1 ATOM 3331 OH2 TIP3 601 -2.873 15.786 0.175 0.00 0.00 WAT1 ATOM 3332 H1 TIP3 601 -3.115 16.448 0.823 0.00 0.00 WAT1 ATOM 3333 H2 TIP3 601 -3.071 14.952 0.599 0.00 0.00 WAT1 ATOM 3334 OH2 TIP3 602 -10.064 16.754 4.921 0.00 0.00 WAT1 ATOM 3335 H1 TIP3 602 -10.056 16.618 3.974 0.00 0.00 WAT1 ATOM 3336 H2 TIP3 602 -10.979 16.636 5.174 0.00 0.00 WAT1 ATOM 3337 OH2 TIP3 603 1.375 1.796 -8.578 0.00 0.00 WAT1 ATOM 3338 H1 TIP3 603 0.476 1.935 -8.283 0.00 0.00 WAT1 ATOM 3339 H2 TIP3 603 1.627 2.627 -8.979 0.00 0.00 WAT1 ATOM 3340 OH2 TIP3 604 2.564 16.162 -10.200 0.00 0.00 WAT1 ATOM 3341 H1 TIP3 604 2.638 17.101 -10.030 0.00 0.00 WAT1 ATOM 3342 H2 TIP3 604 3.469 15.857 -10.258 0.00 0.00 WAT1 ATOM 3343 OH2 TIP3 605 -14.466 12.947 2.212 0.00 0.00 WAT1 ATOM 3344 H1 TIP3 605 -14.968 12.919 1.397 0.00 0.00 WAT1 ATOM 3345 H2 TIP3 605 -14.460 12.041 2.522 0.00 0.00 WAT1 ATOM 3346 OH2 TIP3 606 -14.715 15.727 -0.904 0.00 0.00 WAT1 ATOM 3347 H1 TIP3 606 -13.770 15.583 -0.923 0.00 0.00 WAT1 ATOM 3348 H2 TIP3 606 -14.829 16.511 -0.367 0.00 0.00 WAT1 ATOM 3349 OH2 TIP3 607 -2.023 18.893 -9.537 0.00 0.00 WAT1 ATOM 3350 H1 TIP3 607 -1.649 18.149 -10.008 0.00 0.00 WAT1 ATOM 3351 H2 TIP3 607 -2.019 18.623 -8.620 0.00 0.00 WAT1 ATOM 3352 OH2 TIP3 608 -2.354 18.819 -6.788 0.00 0.00 WAT1 ATOM 3353 H1 TIP3 608 -3.289 18.919 -6.610 0.00 0.00 WAT1 ATOM 3354 H2 TIP3 608 -2.075 18.110 -6.210 0.00 0.00 WAT1 ATOM 3355 OH2 TIP3 609 -12.218 14.270 3.254 0.00 0.00 WAT1 ATOM 3356 H1 TIP3 609 -12.000 13.909 4.114 0.00 0.00 WAT1 ATOM 3357 H2 TIP3 609 -13.072 13.896 3.044 0.00 0.00 WAT1 ATOM 3358 OH2 TIP3 610 -5.274 4.955 -10.090 0.00 0.00 WAT1 ATOM 3359 H1 TIP3 610 -5.527 4.974 -9.168 0.00 0.00 WAT1 ATOM 3360 H2 TIP3 610 -5.530 4.083 -10.391 0.00 0.00 WAT1 ATOM 3361 OH2 TIP3 611 -11.639 12.735 5.492 0.00 0.00 WAT1 ATOM 3362 H1 TIP3 611 -10.905 12.989 6.053 0.00 0.00 WAT1 ATOM 3363 H2 TIP3 611 -12.418 12.939 6.008 0.00 0.00 WAT1 ATOM 3364 OH2 TIP3 612 -6.439 12.743 -7.671 0.00 0.00 WAT1 ATOM 3365 H1 TIP3 612 -7.183 12.236 -7.993 0.00 0.00 WAT1 ATOM 3366 H2 TIP3 612 -6.572 12.792 -6.725 0.00 0.00 WAT1 ATOM 3367 OH2 TIP3 613 0.712 11.876 1.115 0.00 0.00 WAT1 ATOM 3368 H1 TIP3 613 1.354 12.333 0.573 0.00 0.00 WAT1 ATOM 3369 H2 TIP3 613 -0.119 11.989 0.654 0.00 0.00 WAT1 ATOM 3370 OH2 TIP3 614 -4.312 14.202 -8.646 0.00 0.00 WAT1 ATOM 3371 H1 TIP3 614 -4.607 15.028 -8.264 0.00 0.00 WAT1 ATOM 3372 H2 TIP3 614 -5.016 13.582 -8.450 0.00 0.00 WAT1 ATOM 3373 OH2 TIP3 615 -14.305 10.499 3.414 0.00 0.00 WAT1 ATOM 3374 H1 TIP3 615 -14.082 10.081 4.245 0.00 0.00 WAT1 ATOM 3375 H2 TIP3 615 -14.907 9.886 2.991 0.00 0.00 WAT1 ATOM 3376 OH2 TIP3 616 -2.668 15.389 3.517 0.00 0.00 WAT1 ATOM 3377 H1 TIP3 616 -3.570 15.572 3.249 0.00 0.00 WAT1 ATOM 3378 H2 TIP3 616 -2.635 15.648 4.438 0.00 0.00 WAT1 ATOM 3379 OH2 TIP3 617 3.026 13.434 4.720 0.00 0.00 WAT1 ATOM 3380 H1 TIP3 617 2.174 13.672 4.354 0.00 0.00 WAT1 ATOM 3381 H2 TIP3 617 3.616 13.417 3.967 0.00 0.00 WAT1 ATOM 3382 OH2 TIP3 618 1.359 16.420 -7.652 0.00 0.00 WAT1 ATOM 3383 H1 TIP3 618 0.986 15.594 -7.341 0.00 0.00 WAT1 ATOM 3384 H2 TIP3 618 1.636 16.237 -8.549 0.00 0.00 WAT1 ATOM 3385 OH2 TIP3 619 -1.481 11.228 -0.629 0.00 0.00 WAT1 ATOM 3386 H1 TIP3 619 -2.409 10.996 -0.656 0.00 0.00 WAT1 ATOM 3387 H2 TIP3 619 -1.030 10.451 -0.960 0.00 0.00 WAT1 ATOM 3388 OH2 TIP3 620 -8.938 15.556 -4.497 0.00 0.00 WAT1 ATOM 3389 H1 TIP3 620 -8.412 16.329 -4.697 0.00 0.00 WAT1 ATOM 3390 H2 TIP3 620 -9.819 15.781 -4.798 0.00 0.00 WAT1 ATOM 3391 OH2 TIP3 621 -13.184 10.418 -9.909 0.00 0.00 WAT1 ATOM 3392 H1 TIP3 621 -12.567 11.045 -9.530 0.00 0.00 WAT1 ATOM 3393 H2 TIP3 621 -14.046 10.734 -9.639 0.00 0.00 WAT1 ATOM 3394 OH2 TIP3 622 -7.511 13.219 -4.921 0.00 0.00 WAT1 ATOM 3395 H1 TIP3 622 -7.752 14.144 -4.878 0.00 0.00 WAT1 ATOM 3396 H2 TIP3 622 -8.252 12.760 -4.524 0.00 0.00 WAT1 ATOM 3397 OH2 TIP3 623 -6.997 17.368 1.394 0.00 0.00 WAT1 ATOM 3398 H1 TIP3 623 -6.633 18.223 1.162 0.00 0.00 WAT1 ATOM 3399 H2 TIP3 623 -6.465 17.076 2.135 0.00 0.00 WAT1 ATOM 3400 OH2 TIP3 624 -1.250 14.396 -9.831 0.00 0.00 WAT1 ATOM 3401 H1 TIP3 624 -0.896 14.016 -9.027 0.00 0.00 WAT1 ATOM 3402 H2 TIP3 624 -2.199 14.303 -9.745 0.00 0.00 WAT1 ATOM 3403 OH2 TIP3 625 -0.793 18.019 3.565 0.00 0.00 WAT1 ATOM 3404 H1 TIP3 625 -1.396 17.464 3.070 0.00 0.00 WAT1 ATOM 3405 H2 TIP3 625 -0.513 18.686 2.938 0.00 0.00 WAT1 ATOM 3406 OH2 TIP3 626 3.254 18.876 -9.630 0.00 0.00 WAT1 ATOM 3407 H1 TIP3 626 3.997 19.462 -9.770 0.00 0.00 WAT1 ATOM 3408 H2 TIP3 626 2.560 19.444 -9.296 0.00 0.00 WAT1 ATOM 3409 OH2 TIP3 627 -0.383 13.069 -7.604 0.00 0.00 WAT1 ATOM 3410 H1 TIP3 627 -0.660 12.341 -7.049 0.00 0.00 WAT1 ATOM 3411 H2 TIP3 627 0.543 13.188 -7.399 0.00 0.00 WAT1 ATOM 3412 OH2 TIP3 628 -8.222 15.078 -8.928 0.00 0.00 WAT1 ATOM 3413 H1 TIP3 628 -8.075 14.558 -8.137 0.00 0.00 WAT1 ATOM 3414 H2 TIP3 628 -8.224 15.985 -8.621 0.00 0.00 WAT1 ATOM 3415 OH2 TIP3 629 -11.768 12.331 -8.418 0.00 0.00 WAT1 ATOM 3416 H1 TIP3 629 -12.454 12.683 -7.851 0.00 0.00 WAT1 ATOM 3417 H2 TIP3 629 -11.245 13.094 -8.663 0.00 0.00 WAT1 ATOM 3418 OH2 TIP3 630 -11.152 14.945 -9.521 0.00 0.00 WAT1 ATOM 3419 H1 TIP3 630 -10.561 15.644 -9.245 0.00 0.00 WAT1 ATOM 3420 H2 TIP3 630 -10.694 14.512 -10.239 0.00 0.00 WAT1 ATOM 3421 OH2 TIP3 631 0.476 18.273 -0.468 0.00 0.00 WAT1 ATOM 3422 H1 TIP3 631 0.321 18.951 -1.125 0.00 0.00 WAT1 ATOM 3423 H2 TIP3 631 1.409 18.345 -0.265 0.00 0.00 WAT1 ATOM 3424 OH2 TIP3 632 -13.099 16.331 -5.571 0.00 0.00 WAT1 ATOM 3425 H1 TIP3 632 -13.930 16.804 -5.543 0.00 0.00 WAT1 ATOM 3426 H2 TIP3 632 -12.553 16.841 -6.169 0.00 0.00 WAT1 ATOM 3427 OH2 TIP3 633 -9.213 17.863 7.380 0.00 0.00 WAT1 ATOM 3428 H1 TIP3 633 -8.444 17.404 7.721 0.00 0.00 WAT1 ATOM 3429 H2 TIP3 633 -9.233 17.637 6.450 0.00 0.00 WAT1 ATOM 3430 OH2 TIP3 634 -2.635 16.243 6.109 0.00 0.00 WAT1 ATOM 3431 H1 TIP3 634 -2.986 15.387 6.351 0.00 0.00 WAT1 ATOM 3432 H2 TIP3 634 -1.909 16.386 6.716 0.00 0.00 WAT1 ATOM 3433 OH2 TIP3 635 -0.516 17.188 -11.011 0.00 0.00 WAT1 ATOM 3434 H1 TIP3 635 -0.234 16.394 -10.558 0.00 0.00 WAT1 ATOM 3435 H2 TIP3 635 0.223 17.421 -11.572 0.00 0.00 WAT1 ATOM 3436 OH2 TIP3 636 -13.902 12.754 6.713 0.00 0.00 WAT1 ATOM 3437 H1 TIP3 636 -13.758 11.852 6.428 0.00 0.00 WAT1 ATOM 3438 H2 TIP3 636 -14.675 13.040 6.226 0.00 0.00 WAT1 ATOM 3439 OH2 TIP3 637 -9.562 13.098 -11.154 0.00 0.00 WAT1 ATOM 3440 H1 TIP3 637 -9.498 12.304 -10.623 0.00 0.00 WAT1 ATOM 3441 H2 TIP3 637 -8.909 12.979 -11.843 0.00 0.00 WAT1 ATOM 3442 OH2 TIP3 638 -4.210 14.145 -11.418 0.00 0.00 WAT1 ATOM 3443 H1 TIP3 638 -4.478 14.325 -10.518 0.00 0.00 WAT1 ATOM 3444 H2 TIP3 638 -4.415 13.219 -11.550 0.00 0.00 WAT1 ATOM 3445 OH2 TIP3 639 -1.513 12.640 3.530 0.00 0.00 WAT1 ATOM 3446 H1 TIP3 639 -0.768 13.228 3.409 0.00 0.00 WAT1 ATOM 3447 H2 TIP3 639 -2.269 13.222 3.592 0.00 0.00 WAT1 ATOM 3448 OH2 TIP3 640 -8.412 11.070 -8.848 0.00 0.00 WAT1 ATOM 3449 H1 TIP3 640 -8.872 10.586 -8.162 0.00 0.00 WAT1 ATOM 3450 H2 TIP3 640 -8.158 10.402 -9.485 0.00 0.00 WAT1 ATOM 3451 OH2 TIP3 641 -7.341 9.313 -10.585 0.00 0.00 WAT1 ATOM 3452 H1 TIP3 641 -7.521 9.159 -11.513 0.00 0.00 WAT1 ATOM 3453 H2 TIP3 641 -6.391 9.421 -10.541 0.00 0.00 WAT1 ATOM 3454 OH2 TIP3 642 -1.058 10.731 5.428 0.00 0.00 WAT1 ATOM 3455 H1 TIP3 642 -1.338 11.440 4.851 0.00 0.00 WAT1 ATOM 3456 H2 TIP3 642 -0.114 10.658 5.277 0.00 0.00 WAT1 ATOM 3457 OH2 TIP3 643 -13.875 14.640 -10.101 0.00 0.00 WAT1 ATOM 3458 H1 TIP3 643 -12.962 14.719 -9.829 0.00 0.00 WAT1 ATOM 3459 H2 TIP3 643 -13.869 13.953 -10.768 0.00 0.00 WAT1 ATOM 3460 OH2 TIP3 644 3.192 18.923 -0.240 0.00 0.00 WAT1 ATOM 3461 H1 TIP3 644 3.170 19.108 0.700 0.00 0.00 WAT1 ATOM 3462 H2 TIP3 644 3.882 19.492 -0.581 0.00 0.00 WAT1 ATOM 3463 OH2 TIP3 645 1.207 14.280 7.321 0.00 0.00 WAT1 ATOM 3464 H1 TIP3 645 0.340 14.175 7.715 0.00 0.00 WAT1 ATOM 3465 H2 TIP3 645 1.582 15.039 7.768 0.00 0.00 WAT1 ATOM 3466 OH2 TIP3 646 2.660 13.375 -0.393 0.00 0.00 WAT1 ATOM 3467 H1 TIP3 646 3.494 12.997 -0.674 0.00 0.00 WAT1 ATOM 3468 H2 TIP3 646 2.772 14.318 -0.512 0.00 0.00 WAT1 ATOM 3469 OH2 TIP3 647 1.147 16.253 1.913 0.00 0.00 WAT1 ATOM 3470 H1 TIP3 647 0.500 16.578 2.539 0.00 0.00 WAT1 ATOM 3471 H2 TIP3 647 0.630 15.813 1.239 0.00 0.00 WAT1 ATOM 3472 OH2 TIP3 648 1.545 11.081 4.861 0.00 0.00 WAT1 ATOM 3473 H1 TIP3 648 2.128 10.347 5.052 0.00 0.00 WAT1 ATOM 3474 H2 TIP3 648 2.109 11.853 4.906 0.00 0.00 WAT1 ATOM 3475 OH2 TIP3 649 3.042 8.984 5.544 0.00 0.00 WAT1 ATOM 3476 H1 TIP3 649 2.179 8.605 5.380 0.00 0.00 WAT1 ATOM 3477 H2 TIP3 649 3.645 8.245 5.470 0.00 0.00 WAT1 ATOM 3478 OH2 TIP3 650 0.766 5.139 -11.282 0.00 0.00 WAT1 ATOM 3479 H1 TIP3 650 1.377 4.767 -10.646 0.00 0.00 WAT1 ATOM 3480 H2 TIP3 650 -0.071 4.717 -11.086 0.00 0.00 WAT1 ATOM 3481 OH2 TIP3 651 3.323 1.992 7.250 0.00 0.00 WAT1 ATOM 3482 H1 TIP3 651 3.673 1.338 6.644 0.00 0.00 WAT1 ATOM 3483 H2 TIP3 651 3.469 2.829 6.809 0.00 0.00 WAT1 ATOM 3484 OH2 TIP3 652 -0.069 19.013 -4.668 0.00 0.00 WAT1 ATOM 3485 H1 TIP3 652 0.583 18.666 -5.276 0.00 0.00 WAT1 ATOM 3486 H2 TIP3 652 0.441 19.502 -4.021 0.00 0.00 WAT1 ATOM 3487 OH2 TIP3 653 -9.730 16.917 2.134 0.00 0.00 WAT1 ATOM 3488 H1 TIP3 653 -10.155 17.726 1.852 0.00 0.00 WAT1 ATOM 3489 H2 TIP3 653 -8.825 17.002 1.833 0.00 0.00 WAT1 ATOM 3490 OH2 TIP3 654 -5.420 18.316 5.094 0.00 0.00 WAT1 ATOM 3491 H1 TIP3 654 -5.234 17.982 5.972 0.00 0.00 WAT1 ATOM 3492 H2 TIP3 654 -4.572 18.625 4.771 0.00 0.00 WAT1 ATOM 3493 OH2 TIP3 655 -3.075 19.601 4.338 0.00 0.00 WAT1 ATOM 3494 H1 TIP3 655 -2.397 18.969 4.098 0.00 0.00 WAT1 ATOM 3495 H2 TIP3 655 -2.752 20.003 5.146 0.00 0.00 WAT1 ATOM 3496 OH2 TIP3 656 -2.824 18.539 1.333 0.00 0.00 WAT1 ATOM 3497 H1 TIP3 656 -3.728 18.704 1.067 0.00 0.00 WAT1 ATOM 3498 H2 TIP3 656 -2.394 19.392 1.267 0.00 0.00 WAT1 ATOM 3499 OH2 TIP3 657 -10.773 17.506 -2.252 0.00 0.00 WAT1 ATOM 3500 H1 TIP3 657 -10.992 16.590 -2.083 0.00 0.00 WAT1 ATOM 3501 H2 TIP3 657 -9.948 17.646 -1.786 0.00 0.00 WAT1 ATOM 3502 OH2 TIP3 658 -8.236 17.976 -1.405 0.00 0.00 WAT1 ATOM 3503 H1 TIP3 658 -8.023 17.088 -1.692 0.00 0.00 WAT1 ATOM 3504 H2 TIP3 658 -8.171 17.942 -0.450 0.00 0.00 WAT1 ATOM 3505 OH2 TIP3 659 -3.321 11.430 14.377 0.00 0.00 WAT1 ATOM 3506 H1 TIP3 659 -3.232 12.374 14.245 0.00 0.00 WAT1 ATOM 3507 H2 TIP3 659 -3.961 11.155 13.719 0.00 0.00 WAT1 ATOM 3508 OH2 TIP3 660 -4.389 10.685 17.796 0.00 0.00 WAT1 ATOM 3509 H1 TIP3 660 -4.426 10.039 18.500 0.00 0.00 WAT1 ATOM 3510 H2 TIP3 660 -4.712 10.219 17.024 0.00 0.00 WAT1 ATOM 3511 OH2 TIP3 661 -12.021 10.300 19.389 0.00 0.00 WAT1 ATOM 3512 H1 TIP3 661 -11.979 9.674 20.113 0.00 0.00 WAT1 ATOM 3513 H2 TIP3 661 -11.317 10.923 19.570 0.00 0.00 WAT1 ATOM 3514 OH2 TIP3 662 -13.777 10.572 15.443 0.00 0.00 WAT1 ATOM 3515 H1 TIP3 662 -13.562 9.802 15.970 0.00 0.00 WAT1 ATOM 3516 H2 TIP3 662 -13.038 10.661 14.840 0.00 0.00 WAT1 ATOM 3517 OH2 TIP3 663 2.663 4.719 19.062 0.00 0.00 WAT1 ATOM 3518 H1 TIP3 663 2.712 5.329 19.799 0.00 0.00 WAT1 ATOM 3519 H2 TIP3 663 3.090 5.180 18.340 0.00 0.00 WAT1 ATOM 3520 OH2 TIP3 664 -2.858 7.512 18.529 0.00 0.00 WAT1 ATOM 3521 H1 TIP3 664 -2.716 6.565 18.550 0.00 0.00 WAT1 ATOM 3522 H2 TIP3 664 -2.965 7.719 17.601 0.00 0.00 WAT1 ATOM 3523 OH2 TIP3 665 -13.084 8.010 16.564 0.00 0.00 WAT1 ATOM 3524 H1 TIP3 665 -12.430 7.460 16.995 0.00 0.00 WAT1 ATOM 3525 H2 TIP3 665 -13.059 7.736 15.648 0.00 0.00 WAT1 ATOM 3526 OH2 TIP3 666 -7.928 9.560 15.780 0.00 0.00 WAT1 ATOM 3527 H1 TIP3 666 -7.312 9.034 16.288 0.00 0.00 WAT1 ATOM 3528 H2 TIP3 666 -8.514 8.920 15.376 0.00 0.00 WAT1 ATOM 3529 OH2 TIP3 667 -10.893 4.531 19.875 0.00 0.00 WAT1 ATOM 3530 H1 TIP3 667 -11.113 5.061 19.110 0.00 0.00 WAT1 ATOM 3531 H2 TIP3 667 -11.561 4.758 20.523 0.00 0.00 WAT1 ATOM 3532 OH2 TIP3 668 -3.525 14.031 13.419 0.00 0.00 WAT1 ATOM 3533 H1 TIP3 668 -3.821 13.709 12.569 0.00 0.00 WAT1 ATOM 3534 H2 TIP3 668 -3.849 14.931 13.462 0.00 0.00 WAT1 ATOM 3535 OH2 TIP3 669 -0.218 5.035 16.183 0.00 0.00 WAT1 ATOM 3536 H1 TIP3 669 -0.433 4.269 16.715 0.00 0.00 WAT1 ATOM 3537 H2 TIP3 669 0.439 5.507 16.697 0.00 0.00 WAT1 ATOM 3538 OH2 TIP3 670 -11.300 6.423 17.829 0.00 0.00 WAT1 ATOM 3539 H1 TIP3 670 -10.686 7.056 18.201 0.00 0.00 WAT1 ATOM 3540 H2 TIP3 670 -10.787 5.951 17.172 0.00 0.00 WAT1 ATOM 3541 OH2 TIP3 671 -13.796 13.842 11.732 0.00 0.00 WAT1 ATOM 3542 H1 TIP3 671 -14.067 14.071 10.844 0.00 0.00 WAT1 ATOM 3543 H2 TIP3 671 -13.750 14.680 12.193 0.00 0.00 WAT1 ATOM 3544 OH2 TIP3 672 0.130 3.750 19.863 0.00 0.00 WAT1 ATOM 3545 H1 TIP3 672 -0.606 4.361 19.825 0.00 0.00 WAT1 ATOM 3546 H2 TIP3 672 0.814 4.165 19.337 0.00 0.00 WAT1 ATOM 3547 OH2 TIP3 673 -1.194 10.884 12.780 0.00 0.00 WAT1 ATOM 3548 H1 TIP3 673 -1.926 11.112 13.354 0.00 0.00 WAT1 ATOM 3549 H2 TIP3 673 -0.747 10.170 13.236 0.00 0.00 WAT1 ATOM 3550 OH2 TIP3 674 -9.550 11.514 14.664 0.00 0.00 WAT1 ATOM 3551 H1 TIP3 674 -9.880 11.144 13.845 0.00 0.00 WAT1 ATOM 3552 H2 TIP3 674 -8.962 10.844 15.010 0.00 0.00 WAT1 ATOM 3553 OH2 TIP3 675 -9.183 10.283 18.297 0.00 0.00 WAT1 ATOM 3554 H1 TIP3 675 -8.617 10.404 17.534 0.00 0.00 WAT1 ATOM 3555 H2 TIP3 675 -8.864 10.920 18.936 0.00 0.00 WAT1 ATOM 3556 OH2 TIP3 676 -10.559 10.584 12.253 0.00 0.00 WAT1 ATOM 3557 H1 TIP3 676 -10.851 11.352 11.762 0.00 0.00 WAT1 ATOM 3558 H2 TIP3 676 -11.233 9.924 12.090 0.00 0.00 WAT1 ATOM 3559 OH2 TIP3 677 -4.936 2.462 21.480 0.00 0.00 WAT1 ATOM 3560 H1 TIP3 677 -4.516 2.047 22.233 0.00 0.00 WAT1 ATOM 3561 H2 TIP3 677 -5.869 2.284 21.598 0.00 0.00 WAT1 ATOM 3562 OH2 TIP3 678 -0.846 11.079 8.096 0.00 0.00 WAT1 ATOM 3563 H1 TIP3 678 -0.804 10.856 7.165 0.00 0.00 WAT1 ATOM 3564 H2 TIP3 678 0.003 11.477 8.286 0.00 0.00 WAT1 ATOM 3565 OH2 TIP3 679 -9.508 7.706 19.201 0.00 0.00 WAT1 ATOM 3566 H1 TIP3 679 -10.149 7.665 19.910 0.00 0.00 WAT1 ATOM 3567 H2 TIP3 679 -9.470 8.632 18.963 0.00 0.00 WAT1 ATOM 3568 OH2 TIP3 680 -2.970 7.789 15.745 0.00 0.00 WAT1 ATOM 3569 H1 TIP3 680 -3.166 8.394 15.030 0.00 0.00 WAT1 ATOM 3570 H2 TIP3 680 -2.788 6.955 15.309 0.00 0.00 WAT1 ATOM 3571 OH2 TIP3 681 -11.758 8.026 21.069 0.00 0.00 WAT1 ATOM 3572 H1 TIP3 681 -11.796 8.426 21.937 0.00 0.00 WAT1 ATOM 3573 H2 TIP3 681 -12.248 7.209 21.159 0.00 0.00 WAT1 ATOM 3574 OH2 TIP3 682 -12.101 6.983 14.027 0.00 0.00 WAT1 ATOM 3575 H1 TIP3 682 -12.989 7.083 13.687 0.00 0.00 WAT1 ATOM 3576 H2 TIP3 682 -11.805 6.141 13.681 0.00 0.00 WAT1 ATOM 3577 OH2 TIP3 683 -2.523 4.589 18.463 0.00 0.00 WAT1 ATOM 3578 H1 TIP3 683 -3.200 4.720 19.128 0.00 0.00 WAT1 ATOM 3579 H2 TIP3 683 -3.010 4.434 17.654 0.00 0.00 WAT1 ATOM 3580 OH2 TIP3 684 -5.609 8.142 17.087 0.00 0.00 WAT1 ATOM 3581 H1 TIP3 684 -5.045 7.595 16.540 0.00 0.00 WAT1 ATOM 3582 H2 TIP3 684 -5.756 7.620 17.875 0.00 0.00 WAT1 ATOM 3583 OH2 TIP3 685 -6.982 6.530 19.500 0.00 0.00 WAT1 ATOM 3584 H1 TIP3 685 -7.817 6.984 19.611 0.00 0.00 WAT1 ATOM 3585 H2 TIP3 685 -6.458 6.806 20.253 0.00 0.00 WAT1 ATOM 3586 OH2 TIP3 686 -6.439 12.743 11.186 0.00 0.00 WAT1 ATOM 3587 H1 TIP3 686 -7.183 12.236 10.863 0.00 0.00 WAT1 ATOM 3588 H2 TIP3 686 -6.572 12.792 12.131 0.00 0.00 WAT1 ATOM 3589 OH2 TIP3 687 -11.314 12.038 16.954 0.00 0.00 WAT1 ATOM 3590 H1 TIP3 687 -10.569 12.036 16.354 0.00 0.00 WAT1 ATOM 3591 H2 TIP3 687 -11.236 11.214 17.436 0.00 0.00 WAT1 ATOM 3592 OH2 TIP3 688 -4.312 14.202 10.210 0.00 0.00 WAT1 ATOM 3593 H1 TIP3 688 -4.607 15.028 10.593 0.00 0.00 WAT1 ATOM 3594 H2 TIP3 688 -5.016 13.582 10.407 0.00 0.00 WAT1 ATOM 3595 OH2 TIP3 689 3.062 7.634 10.739 0.00 0.00 WAT1 ATOM 3596 H1 TIP3 689 2.509 7.238 10.068 0.00 0.00 WAT1 ATOM 3597 H2 TIP3 689 3.163 8.544 10.463 0.00 0.00 WAT1 ATOM 3598 OH2 TIP3 690 -8.938 15.556 14.360 0.00 0.00 WAT1 ATOM 3599 H1 TIP3 690 -8.412 16.329 14.159 0.00 0.00 WAT1 ATOM 3600 H2 TIP3 690 -9.819 15.781 14.058 0.00 0.00 WAT1 ATOM 3601 OH2 TIP3 691 -7.511 13.219 13.936 0.00 0.00 WAT1 ATOM 3602 H1 TIP3 691 -7.752 14.144 13.978 0.00 0.00 WAT1 ATOM 3603 H2 TIP3 691 -8.252 12.760 14.332 0.00 0.00 WAT1 ATOM 3604 OH2 TIP3 692 -1.250 14.396 9.026 0.00 0.00 WAT1 ATOM 3605 H1 TIP3 692 -0.896 14.016 9.829 0.00 0.00 WAT1 ATOM 3606 H2 TIP3 692 -2.199 14.303 9.111 0.00 0.00 WAT1 ATOM 3607 OH2 TIP3 693 -12.671 5.252 21.828 0.00 0.00 WAT1 ATOM 3608 H1 TIP3 693 -13.564 5.591 21.761 0.00 0.00 WAT1 ATOM 3609 H2 TIP3 693 -12.771 4.397 22.245 0.00 0.00 WAT1 ATOM 3610 OH2 TIP3 694 -0.383 13.069 11.252 0.00 0.00 WAT1 ATOM 3611 H1 TIP3 694 -0.660 12.341 11.808 0.00 0.00 WAT1 ATOM 3612 H2 TIP3 694 0.543 13.188 11.457 0.00 0.00 WAT1 ATOM 3613 OH2 TIP3 695 -7.159 15.508 7.473 0.00 0.00 WAT1 ATOM 3614 H1 TIP3 695 -6.920 14.760 6.925 0.00 0.00 WAT1 ATOM 3615 H2 TIP3 695 -7.428 15.120 8.305 0.00 0.00 WAT1 ATOM 3616 OH2 TIP3 696 -8.222 15.078 9.928 0.00 0.00 WAT1 ATOM 3617 H1 TIP3 696 -8.075 14.558 10.719 0.00 0.00 WAT1 ATOM 3618 H2 TIP3 696 -8.224 15.985 10.235 0.00 0.00 WAT1 ATOM 3619 OH2 TIP3 697 -11.768 12.331 10.439 0.00 0.00 WAT1 ATOM 3620 H1 TIP3 697 -12.454 12.683 11.006 0.00 0.00 WAT1 ATOM 3621 H2 TIP3 697 -11.245 13.094 10.193 0.00 0.00 WAT1 ATOM 3622 OH2 TIP3 698 -3.937 4.993 20.718 0.00 0.00 WAT1 ATOM 3623 H1 TIP3 698 -3.239 5.067 21.367 0.00 0.00 WAT1 ATOM 3624 H2 TIP3 698 -4.317 4.129 20.873 0.00 0.00 WAT1 ATOM 3625 OH2 TIP3 699 -0.611 9.017 16.765 0.00 0.00 WAT1 ATOM 3626 H1 TIP3 699 -1.407 8.602 16.436 0.00 0.00 WAT1 ATOM 3627 H2 TIP3 699 -0.165 8.326 17.256 0.00 0.00 WAT1 ATOM 3628 OH2 TIP3 700 -11.152 14.945 9.335 0.00 0.00 WAT1 ATOM 3629 H1 TIP3 700 -10.561 15.644 9.611 0.00 0.00 WAT1 ATOM 3630 H2 TIP3 700 -10.694 14.512 8.617 0.00 0.00 WAT1 ATOM 3631 OH2 TIP3 701 -5.120 17.371 7.611 0.00 0.00 WAT1 ATOM 3632 H1 TIP3 701 -5.764 16.740 7.933 0.00 0.00 WAT1 ATOM 3633 H2 TIP3 701 -4.359 16.840 7.379 0.00 0.00 WAT1 ATOM 3634 OH2 TIP3 702 -9.562 13.098 7.702 0.00 0.00 WAT1 ATOM 3635 H1 TIP3 702 -9.498 12.304 8.232 0.00 0.00 WAT1 ATOM 3636 H2 TIP3 702 -8.909 12.979 7.013 0.00 0.00 WAT1 ATOM 3637 OH2 TIP3 703 -4.210 14.145 7.438 0.00 0.00 WAT1 ATOM 3638 H1 TIP3 703 -4.478 14.325 8.338 0.00 0.00 WAT1 ATOM 3639 H2 TIP3 703 -4.415 13.219 7.306 0.00 0.00 WAT1 ATOM 3640 OH2 TIP3 704 2.048 11.668 7.716 0.00 0.00 WAT1 ATOM 3641 H1 TIP3 704 1.776 11.243 6.902 0.00 0.00 WAT1 ATOM 3642 H2 TIP3 704 2.088 12.599 7.498 0.00 0.00 WAT1 ATOM 3643 OH2 TIP3 705 -8.372 4.688 20.939 0.00 0.00 WAT1 ATOM 3644 H1 TIP3 705 -7.835 5.139 20.287 0.00 0.00 WAT1 ATOM 3645 H2 TIP3 705 -9.223 4.580 20.517 0.00 0.00 WAT1 ATOM 3646 OH2 TIP3 706 -7.566 2.144 21.370 0.00 0.00 WAT1 ATOM 3647 H1 TIP3 706 -7.663 3.091 21.264 0.00 0.00 WAT1 ATOM 3648 H2 TIP3 706 -8.309 1.772 20.895 0.00 0.00 WAT1 ATOM 3649 OH2 TIP3 707 -7.344 1.438 24.041 0.00 0.00 WAT1 ATOM 3650 H1 TIP3 707 -6.631 0.798 24.027 0.00 0.00 WAT1 ATOM 3651 H2 TIP3 707 -7.444 1.705 23.128 0.00 0.00 WAT1 ATOM 3652 OH2 TIP3 708 -13.875 14.640 8.755 0.00 0.00 WAT1 ATOM 3653 H1 TIP3 708 -12.962 14.719 9.027 0.00 0.00 WAT1 ATOM 3654 H2 TIP3 708 -13.869 13.953 8.088 0.00 0.00 WAT1 ATOM 3655 OH2 TIP3 709 1.519 7.731 8.457 0.00 0.00 WAT1 ATOM 3656 H1 TIP3 709 1.615 8.398 7.777 0.00 0.00 WAT1 ATOM 3657 H2 TIP3 709 1.378 6.915 7.975 0.00 0.00 WAT1 ATOM 3658 OH2 TIP3 710 0.689 9.111 14.078 0.00 0.00 WAT1 ATOM 3659 H1 TIP3 710 0.538 8.166 14.058 0.00 0.00 WAT1 ATOM 3660 H2 TIP3 710 0.335 9.392 14.921 0.00 0.00 WAT1 ATOM 3661 OH2 TIP3 711 -14.276 11.189 18.087 0.00 0.00 WAT1 ATOM 3662 H1 TIP3 711 -14.093 11.107 17.152 0.00 0.00 WAT1 ATOM 3663 H2 TIP3 711 -13.428 11.065 18.512 0.00 0.00 WAT1 ATOM 3664 OH2 TIP3 712 0.766 5.139 7.574 0.00 0.00 WAT1 ATOM 3665 H1 TIP3 712 1.377 4.767 8.210 0.00 0.00 WAT1 ATOM 3666 H2 TIP3 712 -0.071 4.717 7.770 0.00 0.00 WAT1 ATOM 3667 OH2 TIP3 713 0.399 6.694 12.540 0.00 0.00 WAT1 ATOM 3668 H1 TIP3 713 0.678 5.787 12.665 0.00 0.00 WAT1 ATOM 3669 H2 TIP3 713 1.157 7.128 12.151 0.00 0.00 WAT1 ATOM 3670 OH2 TIP3 714 1.011 7.275 17.976 0.00 0.00 WAT1 ATOM 3671 H1 TIP3 714 1.944 7.487 17.942 0.00 0.00 WAT1 ATOM 3672 H2 TIP3 714 0.776 7.377 18.898 0.00 0.00 WAT1 ATOM 3673 OH2 TIP3 715 -15.154 7.771 18.189 0.00 0.00 WAT1 ATOM 3674 H1 TIP3 715 -14.662 7.550 17.399 0.00 0.00 WAT1 ATOM 3675 H2 TIP3 715 -14.791 8.612 18.470 0.00 0.00 WAT1 ATOM 3676 OH2 TIP3 716 2.878 4.024 9.117 0.00 0.00 WAT1 ATOM 3677 H1 TIP3 716 3.292 3.303 8.641 0.00 0.00 WAT1 ATOM 3678 H2 TIP3 716 3.561 4.694 9.175 0.00 0.00 WAT1 ATOM 3679 OH2 TIP3 717 -14.877 2.767 20.587 0.00 0.00 WAT1 ATOM 3680 H1 TIP3 717 -15.541 2.521 21.230 0.00 0.00 WAT1 ATOM 3681 H2 TIP3 717 -15.320 3.389 20.011 0.00 0.00 WAT1 ATOM 3682 OH2 TIP3 718 -12.442 2.788 23.936 0.00 0.00 WAT1 ATOM 3683 H1 TIP3 718 -12.809 2.023 24.379 0.00 0.00 WAT1 ATOM 3684 H2 TIP3 718 -11.529 2.817 24.223 0.00 0.00 WAT1 ATOM 3685 OH2 TIP3 719 3.323 20.848 -11.606 0.00 0.00 WAT1 ATOM 3686 H1 TIP3 719 3.673 20.194 -12.212 0.00 0.00 WAT1 ATOM 3687 H2 TIP3 719 3.469 21.685 -12.046 0.00 0.00 WAT1 ATOM 3688 OH2 TIP3 720 1.375 20.652 -8.578 0.00 0.00 WAT1 ATOM 3689 H1 TIP3 720 0.476 20.791 -8.283 0.00 0.00 WAT1 ATOM 3690 H2 TIP3 720 1.627 21.483 -8.979 0.00 0.00 WAT1 ATOM 3691 OH2 TIP3 721 1.013 22.813 -6.268 0.00 0.00 WAT1 ATOM 3692 H1 TIP3 721 1.194 22.364 -5.442 0.00 0.00 WAT1 ATOM 3693 H2 TIP3 721 0.412 22.228 -6.732 0.00 0.00 WAT1 ATOM 3694 OH2 TIP3 722 2.878 22.880 -9.739 0.00 0.00 WAT1 ATOM 3695 H1 TIP3 722 3.292 22.159 -10.215 0.00 0.00 WAT1 ATOM 3696 H2 TIP3 722 3.561 23.550 -9.681 0.00 0.00 WAT1 ATOM 3697 OH2 TIP3 723 0.415 20.603 -2.147 0.00 0.00 WAT1 ATOM 3698 H1 TIP3 723 1.019 21.151 -2.648 0.00 0.00 WAT1 ATOM 3699 H2 TIP3 723 -0.454 20.923 -2.388 0.00 0.00 WAT1 ATOM 3700 OH2 TIP3 724 2.143 21.742 -3.813 0.00 0.00 WAT1 ATOM 3701 H1 TIP3 724 2.754 21.228 -4.341 0.00 0.00 WAT1 ATOM 3702 H2 TIP3 724 2.526 22.620 -3.790 0.00 0.00 WAT1 ATOM 3703 OH2 TIP3 725 -0.910 21.113 -7.283 0.00 0.00 WAT1 ATOM 3704 H1 TIP3 725 -1.614 21.727 -7.492 0.00 0.00 WAT1 ATOM 3705 H2 TIP3 725 -1.356 20.275 -7.152 0.00 0.00 WAT1 ATOM 3706 OH2 TIP3 726 6.836 -27.412 0.533 0.00 0.00 WAT1 ATOM 3707 H1 TIP3 726 6.878 -28.038 1.256 0.00 0.00 WAT1 ATOM 3708 H2 TIP3 726 7.539 -26.789 0.715 0.00 0.00 WAT1 ATOM 3709 OH2 TIP3 727 7.760 -22.962 -0.932 0.00 0.00 WAT1 ATOM 3710 H1 TIP3 727 7.390 -23.764 -1.301 0.00 0.00 WAT1 ATOM 3711 H2 TIP3 727 8.701 -23.131 -0.885 0.00 0.00 WAT1 ATOM 3712 OH2 TIP3 728 5.080 -27.140 -3.413 0.00 0.00 WAT1 ATOM 3713 H1 TIP3 728 5.294 -27.910 -2.886 0.00 0.00 WAT1 ATOM 3714 H2 TIP3 728 5.818 -27.051 -4.016 0.00 0.00 WAT1 ATOM 3715 OH2 TIP3 729 12.857 -24.594 -0.654 0.00 0.00 WAT1 ATOM 3716 H1 TIP3 729 13.161 -25.280 -1.248 0.00 0.00 WAT1 ATOM 3717 H2 TIP3 729 13.579 -24.476 -0.036 0.00 0.00 WAT1 ATOM 3718 OH2 TIP3 730 10.532 -25.505 1.308 0.00 0.00 WAT1 ATOM 3719 H1 TIP3 730 9.792 -24.907 1.410 0.00 0.00 WAT1 ATOM 3720 H2 TIP3 730 11.245 -24.951 0.992 0.00 0.00 WAT1 ATOM 3721 OH2 TIP3 731 8.940 -23.541 2.095 0.00 0.00 WAT1 ATOM 3722 H1 TIP3 731 8.934 -22.662 1.716 0.00 0.00 WAT1 ATOM 3723 H2 TIP3 731 8.085 -23.624 2.520 0.00 0.00 WAT1 ATOM 3724 OH2 TIP3 732 10.674 -22.770 -1.511 0.00 0.00 WAT1 ATOM 3725 H1 TIP3 732 10.579 -23.348 -2.268 0.00 0.00 WAT1 ATOM 3726 H2 TIP3 732 11.402 -23.141 -1.015 0.00 0.00 WAT1 ATOM 3727 OH2 TIP3 733 10.553 -23.030 4.158 0.00 0.00 WAT1 ATOM 3728 H1 TIP3 733 10.242 -22.248 4.614 0.00 0.00 WAT1 ATOM 3729 H2 TIP3 733 9.904 -23.183 3.472 0.00 0.00 WAT1 ATOM 3730 OH2 TIP3 734 7.474 -26.832 3.387 0.00 0.00 WAT1 ATOM 3731 H1 TIP3 734 7.544 -26.181 4.085 0.00 0.00 WAT1 ATOM 3732 H2 TIP3 734 6.583 -26.729 3.052 0.00 0.00 WAT1 ATOM 3733 OH2 TIP3 735 13.317 -21.745 3.653 0.00 0.00 WAT1 ATOM 3734 H1 TIP3 735 13.404 -20.919 4.129 0.00 0.00 WAT1 ATOM 3735 H2 TIP3 735 12.453 -22.075 3.903 0.00 0.00 WAT1 ATOM 3736 OH2 TIP3 736 7.385 -19.184 -4.760 0.00 0.00 WAT1 ATOM 3737 H1 TIP3 736 7.537 -19.532 -3.880 0.00 0.00 WAT1 ATOM 3738 H2 TIP3 736 6.534 -19.540 -5.014 0.00 0.00 WAT1 ATOM 3739 OH2 TIP3 737 7.099 -29.686 2.212 0.00 0.00 WAT1 ATOM 3740 H1 TIP3 737 7.061 -29.286 3.081 0.00 0.00 WAT1 ATOM 3741 H2 TIP3 737 6.608 -30.503 2.302 0.00 0.00 WAT1 ATOM 3742 OH2 TIP3 738 13.938 -24.785 3.567 0.00 0.00 WAT1 ATOM 3743 H1 TIP3 738 13.591 -25.166 4.373 0.00 0.00 WAT1 ATOM 3744 H2 TIP3 738 13.738 -23.851 3.637 0.00 0.00 WAT1 ATOM 3745 OH2 TIP3 739 7.543 -25.674 -1.901 0.00 0.00 WAT1 ATOM 3746 H1 TIP3 739 8.288 -25.676 -2.502 0.00 0.00 WAT1 ATOM 3747 H2 TIP3 739 7.621 -26.498 -1.419 0.00 0.00 WAT1 ATOM 3748 OH2 TIP3 740 11.568 -27.696 5.627 0.00 0.00 WAT1 ATOM 3749 H1 TIP3 740 11.272 -27.862 4.732 0.00 0.00 WAT1 ATOM 3750 H2 TIP3 740 12.498 -27.916 5.617 0.00 0.00 WAT1 ATOM 3751 OH2 TIP3 741 9.918 -22.156 -4.497 0.00 0.00 WAT1 ATOM 3752 H1 TIP3 741 10.445 -21.383 -4.697 0.00 0.00 WAT1 ATOM 3753 H2 TIP3 741 9.038 -21.931 -4.798 0.00 0.00 WAT1 ATOM 3754 OH2 TIP3 742 10.029 -19.471 -5.376 0.00 0.00 WAT1 ATOM 3755 H1 TIP3 742 9.079 -19.366 -5.324 0.00 0.00 WAT1 ATOM 3756 H2 TIP3 742 10.380 -18.651 -5.030 0.00 0.00 WAT1 ATOM 3757 OH2 TIP3 743 16.221 -21.469 6.109 0.00 0.00 WAT1 ATOM 3758 H1 TIP3 743 15.870 -22.325 6.351 0.00 0.00 WAT1 ATOM 3759 H2 TIP3 743 16.947 -21.326 6.716 0.00 0.00 WAT1 ATOM 3760 OH2 TIP3 744 11.609 -24.988 6.146 0.00 0.00 WAT1 ATOM 3761 H1 TIP3 744 11.280 -24.717 5.289 0.00 0.00 WAT1 ATOM 3762 H2 TIP3 744 11.761 -25.929 6.059 0.00 0.00 WAT1 ATOM 3763 OH2 TIP3 745 9.733 -28.749 3.507 0.00 0.00 WAT1 ATOM 3764 H1 TIP3 745 9.115 -28.074 3.789 0.00 0.00 WAT1 ATOM 3765 H2 TIP3 745 10.077 -28.428 2.674 0.00 0.00 WAT1 ATOM 3766 OH2 TIP3 746 14.753 -26.278 6.786 0.00 0.00 WAT1 ATOM 3767 H1 TIP3 746 15.706 -26.194 6.758 0.00 0.00 WAT1 ATOM 3768 H2 TIP3 746 14.593 -26.989 7.405 0.00 0.00 WAT1 ATOM 3769 OH2 TIP3 747 8.550 -30.196 6.502 0.00 0.00 WAT1 ATOM 3770 H1 TIP3 747 7.784 -30.728 6.292 0.00 0.00 WAT1 ATOM 3771 H2 TIP3 747 9.230 -30.506 5.902 0.00 0.00 WAT1 ATOM 3772 OH2 TIP3 748 6.732 -32.275 6.207 0.00 0.00 WAT1 ATOM 3773 H1 TIP3 748 6.943 -32.982 5.595 0.00 0.00 WAT1 ATOM 3774 H2 TIP3 748 6.620 -32.713 7.051 0.00 0.00 WAT1 ATOM 3775 OH2 TIP3 749 4.500 -19.598 -3.220 0.00 0.00 WAT1 ATOM 3776 H1 TIP3 749 4.166 -20.479 -3.047 0.00 0.00 WAT1 ATOM 3777 H2 TIP3 749 4.722 -19.253 -2.356 0.00 0.00 WAT1 ATOM 3778 OH2 TIP3 750 4.580 -26.523 -0.768 0.00 0.00 WAT1 ATOM 3779 H1 TIP3 750 4.764 -26.605 -1.704 0.00 0.00 WAT1 ATOM 3780 H2 TIP3 750 5.429 -26.647 -0.345 0.00 0.00 WAT1 ATOM 3781 OH2 TIP3 751 4.178 -31.252 5.373 0.00 0.00 WAT1 ATOM 3782 H1 TIP3 751 5.097 -31.374 5.608 0.00 0.00 WAT1 ATOM 3783 H2 TIP3 751 3.728 -32.002 5.761 0.00 0.00 WAT1 ATOM 3784 OH2 TIP3 752 3.703 -29.941 -0.667 0.00 0.00 WAT1 ATOM 3785 H1 TIP3 752 4.195 -30.162 -1.458 0.00 0.00 WAT1 ATOM 3786 H2 TIP3 752 4.065 -29.100 -0.386 0.00 0.00 WAT1 ATOM 3787 OH2 TIP3 753 13.437 -19.396 5.094 0.00 0.00 WAT1 ATOM 3788 H1 TIP3 753 13.622 -19.730 5.972 0.00 0.00 WAT1 ATOM 3789 H2 TIP3 753 14.284 -19.087 4.771 0.00 0.00 WAT1 ATOM 3790 OH2 TIP3 754 15.782 -18.111 4.338 0.00 0.00 WAT1 ATOM 3791 H1 TIP3 754 16.459 -18.743 4.098 0.00 0.00 WAT1 ATOM 3792 H2 TIP3 754 16.104 -17.709 5.146 0.00 0.00 WAT1 ATOM 3793 OH2 TIP3 755 13.706 -18.051 0.388 0.00 0.00 WAT1 ATOM 3794 H1 TIP3 755 13.248 -17.522 -0.266 0.00 0.00 WAT1 ATOM 3795 H2 TIP3 755 13.869 -17.448 1.113 0.00 0.00 WAT1 ATOM 3796 OH2 TIP3 756 16.032 -19.173 1.333 0.00 0.00 WAT1 ATOM 3797 H1 TIP3 756 15.129 -19.008 1.067 0.00 0.00 WAT1 ATOM 3798 H2 TIP3 756 16.462 -18.320 1.267 0.00 0.00 WAT1 ATOM 3799 OH2 TIP3 757 8.084 -20.206 -2.252 0.00 0.00 WAT1 ATOM 3800 H1 TIP3 757 7.865 -21.122 -2.083 0.00 0.00 WAT1 ATOM 3801 H2 TIP3 757 8.908 -20.066 -1.786 0.00 0.00 WAT1 ATOM 3802 OH2 TIP3 758 10.620 -19.736 -1.405 0.00 0.00 WAT1 ATOM 3803 H1 TIP3 758 10.834 -20.624 -1.692 0.00 0.00 WAT1 ATOM 3804 H2 TIP3 758 10.686 -19.770 -0.450 0.00 0.00 WAT1 ATOM 3805 OH2 TIP3 759 4.370 -29.302 13.317 0.00 0.00 WAT1 ATOM 3806 H1 TIP3 759 3.921 -28.456 13.299 0.00 0.00 WAT1 ATOM 3807 H2 TIP3 759 3.809 -29.882 12.802 0.00 0.00 WAT1 ATOM 3808 OH2 TIP3 760 5.080 -27.140 15.443 0.00 0.00 WAT1 ATOM 3809 H1 TIP3 760 5.294 -27.910 15.970 0.00 0.00 WAT1 ATOM 3810 H2 TIP3 760 5.818 -27.051 14.840 0.00 0.00 WAT1 ATOM 3811 OH2 TIP3 761 5.061 -23.870 11.732 0.00 0.00 WAT1 ATOM 3812 H1 TIP3 761 4.789 -23.641 10.844 0.00 0.00 WAT1 ATOM 3813 H2 TIP3 761 5.106 -23.032 12.193 0.00 0.00 WAT1 ATOM 3814 OH2 TIP3 762 9.306 -26.198 14.664 0.00 0.00 WAT1 ATOM 3815 H1 TIP3 762 8.977 -26.568 13.845 0.00 0.00 WAT1 ATOM 3816 H2 TIP3 762 9.895 -26.868 15.010 0.00 0.00 WAT1 ATOM 3817 OH2 TIP3 763 8.297 -27.128 12.253 0.00 0.00 WAT1 ATOM 3818 H1 TIP3 763 8.005 -26.360 11.762 0.00 0.00 WAT1 ATOM 3819 H2 TIP3 763 7.623 -27.788 12.090 0.00 0.00 WAT1 ATOM 3820 OH2 TIP3 764 7.385 -19.184 14.097 0.00 0.00 WAT1 ATOM 3821 H1 TIP3 764 7.537 -19.532 14.976 0.00 0.00 WAT1 ATOM 3822 H2 TIP3 764 6.534 -19.540 13.841 0.00 0.00 WAT1 ATOM 3823 OH2 TIP3 765 4.982 -31.824 10.343 0.00 0.00 WAT1 ATOM 3824 H1 TIP3 765 5.456 -31.233 9.758 0.00 0.00 WAT1 ATOM 3825 H2 TIP3 765 4.264 -31.293 10.690 0.00 0.00 WAT1 ATOM 3826 OH2 TIP3 766 9.083 -29.534 9.250 0.00 0.00 WAT1 ATOM 3827 H1 TIP3 766 8.541 -29.914 8.559 0.00 0.00 WAT1 ATOM 3828 H2 TIP3 766 9.917 -29.340 8.821 0.00 0.00 WAT1 ATOM 3829 OH2 TIP3 767 12.418 -24.969 11.186 0.00 0.00 WAT1 ATOM 3830 H1 TIP3 767 11.674 -25.476 10.863 0.00 0.00 WAT1 ATOM 3831 H2 TIP3 767 12.284 -24.920 12.131 0.00 0.00 WAT1 ATOM 3832 OH2 TIP3 768 14.544 -23.510 10.210 0.00 0.00 WAT1 ATOM 3833 H1 TIP3 768 14.248 -22.684 10.593 0.00 0.00 WAT1 ATOM 3834 H2 TIP3 768 13.841 -24.130 10.407 0.00 0.00 WAT1 ATOM 3835 OH2 TIP3 769 9.918 -22.156 14.360 0.00 0.00 WAT1 ATOM 3836 H1 TIP3 769 10.445 -21.383 14.159 0.00 0.00 WAT1 ATOM 3837 H2 TIP3 769 9.038 -21.931 14.058 0.00 0.00 WAT1 ATOM 3838 OH2 TIP3 770 5.673 -27.294 8.947 0.00 0.00 WAT1 ATOM 3839 H1 TIP3 770 6.289 -26.667 9.326 0.00 0.00 WAT1 ATOM 3840 H2 TIP3 770 4.811 -26.978 9.218 0.00 0.00 WAT1 ATOM 3841 OH2 TIP3 771 11.345 -24.493 13.936 0.00 0.00 WAT1 ATOM 3842 H1 TIP3 771 11.104 -23.568 13.978 0.00 0.00 WAT1 ATOM 3843 H2 TIP3 771 10.605 -24.952 14.332 0.00 0.00 WAT1 ATOM 3844 OH2 TIP3 772 10.029 -19.471 13.480 0.00 0.00 WAT1 ATOM 3845 H1 TIP3 772 9.079 -19.366 13.533 0.00 0.00 WAT1 ATOM 3846 H2 TIP3 772 10.380 -18.651 13.825 0.00 0.00 WAT1 ATOM 3847 OH2 TIP3 773 11.698 -22.204 7.473 0.00 0.00 WAT1 ATOM 3848 H1 TIP3 773 11.937 -22.952 6.925 0.00 0.00 WAT1 ATOM 3849 H2 TIP3 773 11.429 -22.592 8.305 0.00 0.00 WAT1 ATOM 3850 OH2 TIP3 774 13.373 -20.936 10.678 0.00 0.00 WAT1 ATOM 3851 H1 TIP3 774 12.556 -20.439 10.730 0.00 0.00 WAT1 ATOM 3852 H2 TIP3 774 13.902 -20.461 10.038 0.00 0.00 WAT1 ATOM 3853 OH2 TIP3 775 10.710 -19.893 10.660 0.00 0.00 WAT1 ATOM 3854 H1 TIP3 775 10.872 -19.093 10.159 0.00 0.00 WAT1 ATOM 3855 H2 TIP3 775 10.514 -19.586 11.544 0.00 0.00 WAT1 ATOM 3856 OH2 TIP3 776 6.020 -30.103 8.452 0.00 0.00 WAT1 ATOM 3857 H1 TIP3 776 5.975 -29.164 8.630 0.00 0.00 WAT1 ATOM 3858 H2 TIP3 776 5.132 -30.339 8.181 0.00 0.00 WAT1 ATOM 3859 OH2 TIP3 777 5.758 -21.381 13.286 0.00 0.00 WAT1 ATOM 3860 H1 TIP3 777 4.926 -20.908 13.312 0.00 0.00 WAT1 ATOM 3861 H2 TIP3 777 6.304 -20.871 12.687 0.00 0.00 WAT1 ATOM 3862 OH2 TIP3 778 13.736 -20.341 7.611 0.00 0.00 WAT1 ATOM 3863 H1 TIP3 778 13.091 -20.972 7.933 0.00 0.00 WAT1 ATOM 3864 H2 TIP3 778 14.498 -20.872 7.379 0.00 0.00 WAT1 ATOM 3865 OH2 TIP3 779 14.647 -23.567 7.438 0.00 0.00 WAT1 ATOM 3866 H1 TIP3 779 14.379 -23.387 8.338 0.00 0.00 WAT1 ATOM 3867 H2 TIP3 779 14.441 -24.493 7.306 0.00 0.00 WAT1 ATOM 3868 OH2 TIP3 780 10.444 -26.642 10.008 0.00 0.00 WAT1 ATOM 3869 H1 TIP3 780 9.985 -27.126 10.694 0.00 0.00 WAT1 ATOM 3870 H2 TIP3 780 10.699 -27.310 9.372 0.00 0.00 WAT1 ATOM 3871 OH2 TIP3 781 11.514 -28.399 8.271 0.00 0.00 WAT1 ATOM 3872 H1 TIP3 781 11.335 -28.553 7.343 0.00 0.00 WAT1 ATOM 3873 H2 TIP3 781 12.466 -28.291 8.315 0.00 0.00 WAT1 ATOM 3874 OH2 TIP3 782 11.413 -17.708 9.271 0.00 0.00 WAT1 ATOM 3875 H1 TIP3 782 12.346 -17.550 9.416 0.00 0.00 WAT1 ATOM 3876 H2 TIP3 782 11.149 -17.033 8.646 0.00 0.00 WAT1 ATOM 3877 OH2 TIP3 783 3.630 -17.679 13.832 0.00 0.00 WAT1 ATOM 3878 H1 TIP3 783 2.982 -18.141 13.299 0.00 0.00 WAT1 ATOM 3879 H2 TIP3 783 3.985 -18.351 14.415 0.00 0.00 WAT1 ATOM 3880 OH2 TIP3 784 4.500 -19.598 15.636 0.00 0.00 WAT1 ATOM 3881 H1 TIP3 784 4.166 -20.479 15.809 0.00 0.00 WAT1 ATOM 3882 H2 TIP3 784 4.722 -19.253 16.500 0.00 0.00 WAT1 ATOM 3883 OH2 TIP3 785 14.058 -18.482 9.517 0.00 0.00 WAT1 ATOM 3884 H1 TIP3 785 14.924 -18.116 9.338 0.00 0.00 WAT1 ATOM 3885 H2 TIP3 785 13.811 -18.922 8.704 0.00 0.00 WAT1 ATOM 3886 OH2 TIP3 786 6.836 -8.556 0.533 0.00 0.00 WAT1 ATOM 3887 H1 TIP3 786 6.878 -9.182 1.256 0.00 0.00 WAT1 ATOM 3888 H2 TIP3 786 7.539 -7.933 0.715 0.00 0.00 WAT1 ATOM 3889 OH2 TIP3 787 4.370 -10.446 -5.540 0.00 0.00 WAT1 ATOM 3890 H1 TIP3 787 3.921 -9.600 -5.558 0.00 0.00 WAT1 ATOM 3891 H2 TIP3 787 3.809 -11.026 -6.054 0.00 0.00 WAT1 ATOM 3892 OH2 TIP3 788 5.080 -8.284 -3.413 0.00 0.00 WAT1 ATOM 3893 H1 TIP3 788 5.294 -9.054 -2.886 0.00 0.00 WAT1 ATOM 3894 H2 TIP3 788 5.818 -8.195 -4.016 0.00 0.00 WAT1 ATOM 3895 OH2 TIP3 789 9.152 -13.243 -3.054 0.00 0.00 WAT1 ATOM 3896 H1 TIP3 789 9.196 -12.383 -3.473 0.00 0.00 WAT1 ATOM 3897 H2 TIP3 789 8.695 -13.795 -3.688 0.00 0.00 WAT1 ATOM 3898 OH2 TIP3 790 5.773 -10.846 -2.292 0.00 0.00 WAT1 ATOM 3899 H1 TIP3 790 6.427 -11.396 -1.861 0.00 0.00 WAT1 ATOM 3900 H2 TIP3 790 5.797 -11.120 -3.208 0.00 0.00 WAT1 ATOM 3901 OH2 TIP3 791 7.963 -14.325 1.019 0.00 0.00 WAT1 ATOM 3902 H1 TIP3 791 7.744 -13.795 0.253 0.00 0.00 WAT1 ATOM 3903 H2 TIP3 791 7.295 -14.098 1.667 0.00 0.00 WAT1 ATOM 3904 OH2 TIP3 792 10.532 -6.649 1.308 0.00 0.00 WAT1 ATOM 3905 H1 TIP3 792 9.792 -6.051 1.410 0.00 0.00 WAT1 ATOM 3906 H2 TIP3 792 11.245 -6.095 0.992 0.00 0.00 WAT1 ATOM 3907 OH2 TIP3 793 7.557 -12.433 -1.027 0.00 0.00 WAT1 ATOM 3908 H1 TIP3 793 8.170 -11.800 -0.654 0.00 0.00 WAT1 ATOM 3909 H2 TIP3 793 8.069 -12.905 -1.684 0.00 0.00 WAT1 ATOM 3910 OH2 TIP3 794 8.940 -4.685 2.095 0.00 0.00 WAT1 ATOM 3911 H1 TIP3 794 8.934 -3.806 1.716 0.00 0.00 WAT1 ATOM 3912 H2 TIP3 794 8.085 -4.768 2.520 0.00 0.00 WAT1 ATOM 3913 OH2 TIP3 795 11.989 -17.019 -1.527 0.00 0.00 WAT1 ATOM 3914 H1 TIP3 795 11.872 -17.968 -1.581 0.00 0.00 WAT1 ATOM 3915 H2 TIP3 795 11.134 -16.687 -1.254 0.00 0.00 WAT1 ATOM 3916 OH2 TIP3 796 10.674 -3.914 -1.511 0.00 0.00 WAT1 ATOM 3917 H1 TIP3 796 10.579 -4.492 -2.268 0.00 0.00 WAT1 ATOM 3918 H2 TIP3 796 11.402 -4.285 -1.015 0.00 0.00 WAT1 ATOM 3919 OH2 TIP3 797 10.553 -4.174 4.158 0.00 0.00 WAT1 ATOM 3920 H1 TIP3 797 10.242 -3.392 4.614 0.00 0.00 WAT1 ATOM 3921 H2 TIP3 797 9.904 -4.327 3.472 0.00 0.00 WAT1 ATOM 3922 OH2 TIP3 798 7.474 -7.976 3.387 0.00 0.00 WAT1 ATOM 3923 H1 TIP3 798 7.544 -7.325 4.085 0.00 0.00 WAT1 ATOM 3924 H2 TIP3 798 6.583 -7.873 3.052 0.00 0.00 WAT1 ATOM 3925 OH2 TIP3 799 8.793 -2.102 4.921 0.00 0.00 WAT1 ATOM 3926 H1 TIP3 799 8.800 -2.238 3.974 0.00 0.00 WAT1 ATOM 3927 H2 TIP3 799 7.877 -2.220 5.174 0.00 0.00 WAT1 ATOM 3928 OH2 TIP3 800 4.389 -5.909 2.212 0.00 0.00 WAT1 ATOM 3929 H1 TIP3 800 3.889 -5.937 1.397 0.00 0.00 WAT1 ATOM 3930 H2 TIP3 800 4.396 -6.815 2.522 0.00 0.00 WAT1 ATOM 3931 OH2 TIP3 801 7.385 -0.328 -4.760 0.00 0.00 WAT1 ATOM 3932 H1 TIP3 801 7.537 -0.676 -3.880 0.00 0.00 WAT1 ATOM 3933 H2 TIP3 801 6.534 -0.684 -5.014 0.00 0.00 WAT1 ATOM 3934 OH2 TIP3 802 13.921 -16.394 2.624 0.00 0.00 WAT1 ATOM 3935 H1 TIP3 802 14.341 -16.809 3.377 0.00 0.00 WAT1 ATOM 3936 H2 TIP3 802 12.988 -16.572 2.741 0.00 0.00 WAT1 ATOM 3937 OH2 TIP3 803 9.349 -11.150 0.345 0.00 0.00 WAT1 ATOM 3938 H1 TIP3 803 8.707 -11.191 1.054 0.00 0.00 WAT1 ATOM 3939 H2 TIP3 803 9.386 -10.224 0.107 0.00 0.00 WAT1 ATOM 3940 OH2 TIP3 804 7.099 -10.830 2.212 0.00 0.00 WAT1 ATOM 3941 H1 TIP3 804 7.061 -10.430 3.081 0.00 0.00 WAT1 ATOM 3942 H2 TIP3 804 6.608 -11.647 2.302 0.00 0.00 WAT1 ATOM 3943 OH2 TIP3 805 3.707 -13.714 -3.938 0.00 0.00 WAT1 ATOM 3944 H1 TIP3 805 4.338 -13.743 -3.218 0.00 0.00 WAT1 ATOM 3945 H2 TIP3 805 4.157 -14.139 -4.668 0.00 0.00 WAT1 ATOM 3946 OH2 TIP3 806 7.218 -6.121 5.492 0.00 0.00 WAT1 ATOM 3947 H1 TIP3 806 7.951 -5.867 6.053 0.00 0.00 WAT1 ATOM 3948 H2 TIP3 806 6.438 -5.917 6.008 0.00 0.00 WAT1 ATOM 3949 OH2 TIP3 807 11.873 -12.326 0.644 0.00 0.00 WAT1 ATOM 3950 H1 TIP3 807 11.039 -11.872 0.755 0.00 0.00 WAT1 ATOM 3951 H2 TIP3 807 12.398 -12.050 1.397 0.00 0.00 WAT1 ATOM 3952 OH2 TIP3 808 7.543 -6.818 -1.901 0.00 0.00 WAT1 ATOM 3953 H1 TIP3 808 8.288 -6.820 -2.502 0.00 0.00 WAT1 ATOM 3954 H2 TIP3 808 7.621 -7.642 -1.419 0.00 0.00 WAT1 ATOM 3955 OH2 TIP3 809 9.918 -3.300 -4.497 0.00 0.00 WAT1 ATOM 3956 H1 TIP3 809 10.445 -2.527 -4.697 0.00 0.00 WAT1 ATOM 3957 H2 TIP3 809 9.038 -3.075 -4.798 0.00 0.00 WAT1 ATOM 3958 OH2 TIP3 810 11.860 -1.488 1.394 0.00 0.00 WAT1 ATOM 3959 H1 TIP3 810 12.223 -0.633 1.162 0.00 0.00 WAT1 ATOM 3960 H2 TIP3 810 12.392 -1.780 2.135 0.00 0.00 WAT1 ATOM 3961 OH2 TIP3 811 10.029 -0.615 -5.376 0.00 0.00 WAT1 ATOM 3962 H1 TIP3 811 9.079 -0.510 -5.324 0.00 0.00 WAT1 ATOM 3963 H2 TIP3 811 10.380 0.205 -5.030 0.00 0.00 WAT1 ATOM 3964 OH2 TIP3 812 6.185 -13.604 2.972 0.00 0.00 WAT1 ATOM 3965 H1 TIP3 812 5.292 -13.265 2.905 0.00 0.00 WAT1 ATOM 3966 H2 TIP3 812 6.086 -14.459 3.390 0.00 0.00 WAT1 ATOM 3967 OH2 TIP3 813 14.920 -13.863 1.861 0.00 0.00 WAT1 ATOM 3968 H1 TIP3 813 15.617 -13.789 2.512 0.00 0.00 WAT1 ATOM 3969 H2 TIP3 813 14.539 -14.727 2.017 0.00 0.00 WAT1 ATOM 3970 OH2 TIP3 814 13.440 -11.497 2.978 0.00 0.00 WAT1 ATOM 3971 H1 TIP3 814 13.559 -10.923 3.736 0.00 0.00 WAT1 ATOM 3972 H2 TIP3 814 14.095 -12.185 3.094 0.00 0.00 WAT1 ATOM 3973 OH2 TIP3 815 6.828 -16.465 -1.732 0.00 0.00 WAT1 ATOM 3974 H1 TIP3 815 6.599 -16.406 -2.659 0.00 0.00 WAT1 ATOM 3975 H2 TIP3 815 6.385 -17.257 -1.425 0.00 0.00 WAT1 ATOM 3976 OH2 TIP3 816 5.758 -2.525 -5.571 0.00 0.00 WAT1 ATOM 3977 H1 TIP3 816 4.926 -2.052 -5.543 0.00 0.00 WAT1 ATOM 3978 H2 TIP3 816 6.304 -2.015 -6.169 0.00 0.00 WAT1 ATOM 3979 OH2 TIP3 817 9.644 -0.993 7.380 0.00 0.00 WAT1 ATOM 3980 H1 TIP3 817 10.412 -1.452 7.721 0.00 0.00 WAT1 ATOM 3981 H2 TIP3 817 9.623 -1.219 6.450 0.00 0.00 WAT1 ATOM 3982 OH2 TIP3 818 4.954 -6.102 6.713 0.00 0.00 WAT1 ATOM 3983 H1 TIP3 818 5.098 -7.004 6.428 0.00 0.00 WAT1 ATOM 3984 H2 TIP3 818 4.181 -5.816 6.226 0.00 0.00 WAT1 ATOM 3985 OH2 TIP3 819 5.786 -8.902 6.133 0.00 0.00 WAT1 ATOM 3986 H1 TIP3 819 6.194 -9.759 6.013 0.00 0.00 WAT1 ATOM 3987 H2 TIP3 819 5.526 -8.887 7.055 0.00 0.00 WAT1 ATOM 3988 OH2 TIP3 820 10.073 -12.538 4.591 0.00 0.00 WAT1 ATOM 3989 H1 TIP3 820 10.223 -13.267 3.988 0.00 0.00 WAT1 ATOM 3990 H2 TIP3 820 10.075 -11.761 4.031 0.00 0.00 WAT1 ATOM 3991 OH2 TIP3 821 10.485 -14.168 2.083 0.00 0.00 WAT1 ATOM 3992 H1 TIP3 821 11.021 -13.717 1.430 0.00 0.00 WAT1 ATOM 3993 H2 TIP3 821 9.633 -14.276 1.660 0.00 0.00 WAT1 ATOM 3994 OH2 TIP3 822 8.550 -11.340 6.502 0.00 0.00 WAT1 ATOM 3995 H1 TIP3 822 7.784 -11.872 6.292 0.00 0.00 WAT1 ATOM 3996 H2 TIP3 822 9.230 -11.650 5.902 0.00 0.00 WAT1 ATOM 3997 OH2 TIP3 823 12.555 -12.390 6.078 0.00 0.00 WAT1 ATOM 3998 H1 TIP3 823 12.319 -12.610 6.979 0.00 0.00 WAT1 ATOM 3999 H2 TIP3 823 11.772 -12.597 5.569 0.00 0.00 WAT1 ATOM 4000 OH2 TIP3 824 15.271 -13.263 5.153 0.00 0.00 WAT1 ATOM 4001 H1 TIP3 824 14.323 -13.231 5.286 0.00 0.00 WAT1 ATOM 4002 H2 TIP3 824 15.583 -13.888 5.807 0.00 0.00 WAT1 ATOM 4003 OH2 TIP3 825 6.732 -13.419 6.207 0.00 0.00 WAT1 ATOM 4004 H1 TIP3 825 6.943 -14.126 5.595 0.00 0.00 WAT1 ATOM 4005 H2 TIP3 825 6.620 -13.857 7.051 0.00 0.00 WAT1 ATOM 4006 OH2 TIP3 826 11.866 -15.735 7.240 0.00 0.00 WAT1 ATOM 4007 H1 TIP3 826 11.735 -16.211 6.418 0.00 0.00 WAT1 ATOM 4008 H2 TIP3 826 11.267 -14.991 7.184 0.00 0.00 WAT1 ATOM 4009 OH2 TIP3 827 3.630 1.177 -5.024 0.00 0.00 WAT1 ATOM 4010 H1 TIP3 827 2.982 0.715 -5.558 0.00 0.00 WAT1 ATOM 4011 H2 TIP3 827 3.985 0.505 -4.441 0.00 0.00 WAT1 ATOM 4012 OH2 TIP3 828 5.399 -14.084 -1.736 0.00 0.00 WAT1 ATOM 4013 H1 TIP3 828 5.844 -14.876 -1.434 0.00 0.00 WAT1 ATOM 4014 H2 TIP3 828 5.865 -13.368 -1.305 0.00 0.00 WAT1 ATOM 4015 OH2 TIP3 829 3.980 -16.089 1.732 0.00 0.00 WAT1 ATOM 4016 H1 TIP3 829 3.315 -16.335 2.374 0.00 0.00 WAT1 ATOM 4017 H2 TIP3 829 3.537 -15.467 1.155 0.00 0.00 WAT1 ATOM 4018 OH2 TIP3 830 6.172 -2.914 5.876 0.00 0.00 WAT1 ATOM 4019 H1 TIP3 830 5.351 -2.739 5.415 0.00 0.00 WAT1 ATOM 4020 H2 TIP3 830 5.920 -2.987 6.796 0.00 0.00 WAT1 ATOM 4021 OH2 TIP3 831 10.620 -0.880 -1.405 0.00 0.00 WAT1 ATOM 4022 H1 TIP3 831 10.834 -1.768 -1.692 0.00 0.00 WAT1 ATOM 4023 H2 TIP3 831 10.686 -0.914 -0.450 0.00 0.00 WAT1 ATOM 4024 OH2 TIP3 832 14.130 -15.216 -2.260 0.00 0.00 WAT1 ATOM 4025 H1 TIP3 832 13.455 -15.845 -2.004 0.00 0.00 WAT1 ATOM 4026 H2 TIP3 832 14.694 -15.700 -2.862 0.00 0.00 WAT1 ATOM 4027 OH2 TIP3 833 6.456 -16.582 -4.438 0.00 0.00 WAT1 ATOM 4028 H1 TIP3 833 5.679 -16.816 -4.946 0.00 0.00 WAT1 ATOM 4029 H2 TIP3 833 6.987 -17.379 -4.429 0.00 0.00 WAT1 ATOM 4030 OH2 TIP3 834 11.036 -16.655 -4.624 0.00 0.00 WAT1 ATOM 4031 H1 TIP3 834 11.910 -16.267 -4.655 0.00 0.00 WAT1 ATOM 4032 H2 TIP3 834 10.899 -16.870 -3.702 0.00 0.00 WAT1 ATOM 4033 OH2 TIP3 835 5.194 -0.836 -7.736 0.00 0.00 WAT1 ATOM 4034 H1 TIP3 835 4.509 -0.874 -8.405 0.00 0.00 WAT1 ATOM 4035 H2 TIP3 835 5.197 0.077 -7.448 0.00 0.00 WAT1 ATOM 4036 OH2 TIP3 836 7.012 0.084 -10.711 0.00 0.00 WAT1 ATOM 4037 H1 TIP3 836 6.744 0.371 -9.838 0.00 0.00 WAT1 ATOM 4038 H2 TIP3 836 7.783 -0.462 -10.559 0.00 0.00 WAT1 ATOM 4039 OH2 TIP3 837 16.809 -17.385 6.798 0.00 0.00 WAT1 ATOM 4040 H1 TIP3 837 16.884 -17.811 7.652 0.00 0.00 WAT1 ATOM 4041 H2 TIP3 837 17.702 -17.371 6.456 0.00 0.00 WAT1 ATOM 4042 OH2 TIP3 838 4.370 -10.446 13.317 0.00 0.00 WAT1 ATOM 4043 H1 TIP3 838 3.921 -9.600 13.299 0.00 0.00 WAT1 ATOM 4044 H2 TIP3 838 3.809 -11.026 12.802 0.00 0.00 WAT1 ATOM 4045 OH2 TIP3 839 5.080 -8.284 15.443 0.00 0.00 WAT1 ATOM 4046 H1 TIP3 839 5.294 -9.054 15.970 0.00 0.00 WAT1 ATOM 4047 H2 TIP3 839 5.818 -8.195 14.840 0.00 0.00 WAT1 ATOM 4048 OH2 TIP3 840 5.061 -5.014 11.732 0.00 0.00 WAT1 ATOM 4049 H1 TIP3 840 4.789 -4.785 10.844 0.00 0.00 WAT1 ATOM 4050 H2 TIP3 840 5.106 -4.176 12.193 0.00 0.00 WAT1 ATOM 4051 OH2 TIP3 841 4.141 -3.129 17.951 0.00 0.00 WAT1 ATOM 4052 H1 TIP3 841 5.087 -3.273 17.933 0.00 0.00 WAT1 ATOM 4053 H2 TIP3 841 4.027 -2.345 18.489 0.00 0.00 WAT1 ATOM 4054 OH2 TIP3 842 7.385 -0.328 14.097 0.00 0.00 WAT1 ATOM 4055 H1 TIP3 842 7.537 -0.676 14.976 0.00 0.00 WAT1 ATOM 4056 H2 TIP3 842 6.534 -0.684 13.841 0.00 0.00 WAT1 ATOM 4057 OH2 TIP3 843 13.583 -13.901 8.766 0.00 0.00 WAT1 ATOM 4058 H1 TIP3 843 13.329 -13.882 9.689 0.00 0.00 WAT1 ATOM 4059 H2 TIP3 843 13.325 -14.773 8.465 0.00 0.00 WAT1 ATOM 4060 OH2 TIP3 844 10.465 -13.456 7.867 0.00 0.00 WAT1 ATOM 4061 H1 TIP3 844 10.034 -13.901 8.597 0.00 0.00 WAT1 ATOM 4062 H2 TIP3 844 9.747 -13.084 7.354 0.00 0.00 WAT1 ATOM 4063 OH2 TIP3 845 3.707 -13.714 14.918 0.00 0.00 WAT1 ATOM 4064 H1 TIP3 845 4.338 -13.743 15.639 0.00 0.00 WAT1 ATOM 4065 H2 TIP3 845 4.157 -14.139 14.189 0.00 0.00 WAT1 ATOM 4066 OH2 TIP3 846 4.982 -12.968 10.343 0.00 0.00 WAT1 ATOM 4067 H1 TIP3 846 5.456 -12.377 9.758 0.00 0.00 WAT1 ATOM 4068 H2 TIP3 846 4.264 -12.437 10.690 0.00 0.00 WAT1 ATOM 4069 OH2 TIP3 847 9.083 -10.678 9.250 0.00 0.00 WAT1 ATOM 4070 H1 TIP3 847 8.541 -11.058 8.559 0.00 0.00 WAT1 ATOM 4071 H2 TIP3 847 9.917 -10.484 8.821 0.00 0.00 WAT1 ATOM 4072 OH2 TIP3 848 5.673 -8.438 8.947 0.00 0.00 WAT1 ATOM 4073 H1 TIP3 848 6.289 -7.811 9.326 0.00 0.00 WAT1 ATOM 4074 H2 TIP3 848 4.811 -8.122 9.218 0.00 0.00 WAT1 ATOM 4075 OH2 TIP3 849 7.088 -6.525 10.439 0.00 0.00 WAT1 ATOM 4076 H1 TIP3 849 6.402 -6.173 11.006 0.00 0.00 WAT1 ATOM 4077 H2 TIP3 849 7.611 -5.762 10.193 0.00 0.00 WAT1 ATOM 4078 OH2 TIP3 850 9.445 -14.339 10.276 0.00 0.00 WAT1 ATOM 4079 H1 TIP3 850 9.362 -13.450 10.622 0.00 0.00 WAT1 ATOM 4080 H2 TIP3 850 10.335 -14.604 10.506 0.00 0.00 WAT1 ATOM 4081 OH2 TIP3 851 7.704 -3.911 9.335 0.00 0.00 WAT1 ATOM 4082 H1 TIP3 851 8.296 -3.212 9.611 0.00 0.00 WAT1 ATOM 4083 H2 TIP3 851 8.163 -4.344 8.617 0.00 0.00 WAT1 ATOM 4084 OH2 TIP3 852 6.020 -11.247 8.452 0.00 0.00 WAT1 ATOM 4085 H1 TIP3 852 5.975 -10.308 8.630 0.00 0.00 WAT1 ATOM 4086 H2 TIP3 852 5.132 -11.483 8.181 0.00 0.00 WAT1 ATOM 4087 OH2 TIP3 853 5.758 -2.525 13.286 0.00 0.00 WAT1 ATOM 4088 H1 TIP3 853 4.926 -2.052 13.312 0.00 0.00 WAT1 ATOM 4089 H2 TIP3 853 6.304 -2.015 12.687 0.00 0.00 WAT1 ATOM 4090 OH2 TIP3 854 4.981 -4.216 8.755 0.00 0.00 WAT1 ATOM 4091 H1 TIP3 854 5.895 -4.137 9.027 0.00 0.00 WAT1 ATOM 4092 H2 TIP3 854 4.988 -4.903 8.088 0.00 0.00 WAT1 ATOM 4093 OH2 TIP3 855 3.630 1.177 13.832 0.00 0.00 WAT1 ATOM 4094 H1 TIP3 855 2.982 0.715 13.299 0.00 0.00 WAT1 ATOM 4095 H2 TIP3 855 3.985 0.505 14.415 0.00 0.00 WAT1 ATOM 4096 OH2 TIP3 856 4.500 -0.742 15.636 0.00 0.00 WAT1 ATOM 4097 H1 TIP3 856 4.166 -1.623 15.809 0.00 0.00 WAT1 ATOM 4098 H2 TIP3 856 4.722 -0.397 16.500 0.00 0.00 WAT1 ATOM 4099 OH2 TIP3 857 4.016 -14.827 12.244 0.00 0.00 WAT1 ATOM 4100 H1 TIP3 857 3.091 -14.618 12.114 0.00 0.00 WAT1 ATOM 4101 H2 TIP3 857 4.470 -14.343 11.553 0.00 0.00 WAT1 ATOM 4102 OH2 TIP3 858 6.456 -16.582 14.418 0.00 0.00 WAT1 ATOM 4103 H1 TIP3 858 5.679 -16.816 13.911 0.00 0.00 WAT1 ATOM 4104 H2 TIP3 858 6.987 -17.379 14.427 0.00 0.00 WAT1 ATOM 4105 OH2 TIP3 859 5.293 -16.784 10.222 0.00 0.00 WAT1 ATOM 4106 H1 TIP3 859 5.732 -16.173 9.631 0.00 0.00 WAT1 ATOM 4107 H2 TIP3 859 4.659 -16.246 10.695 0.00 0.00 WAT1 ATOM 4108 OH2 TIP3 860 5.194 -0.836 11.120 0.00 0.00 WAT1 ATOM 4109 H1 TIP3 860 4.509 -0.874 10.451 0.00 0.00 WAT1 ATOM 4110 H2 TIP3 860 5.197 0.077 11.408 0.00 0.00 WAT1 ATOM 4111 OH2 TIP3 861 7.154 -14.868 8.665 0.00 0.00 WAT1 ATOM 4112 H1 TIP3 861 7.645 -15.498 8.136 0.00 0.00 WAT1 ATOM 4113 H2 TIP3 861 7.777 -14.572 9.328 0.00 0.00 WAT1 ATOM 4114 OH2 TIP3 862 12.180 -14.575 11.122 0.00 0.00 WAT1 ATOM 4115 H1 TIP3 862 12.357 -15.221 11.805 0.00 0.00 WAT1 ATOM 4116 H2 TIP3 862 12.126 -13.741 11.588 0.00 0.00 WAT1 ATOM 4117 OH2 TIP3 863 7.012 0.084 8.145 0.00 0.00 WAT1 ATOM 4118 H1 TIP3 863 6.744 0.371 9.018 0.00 0.00 WAT1 ATOM 4119 H2 TIP3 863 7.783 -0.462 8.296 0.00 0.00 WAT1 ATOM 4120 OH2 TIP3 864 6.836 10.300 -18.323 0.00 0.00 WAT1 ATOM 4121 H1 TIP3 864 6.878 9.674 -17.599 0.00 0.00 WAT1 ATOM 4122 H2 TIP3 864 7.539 10.923 -18.142 0.00 0.00 WAT1 ATOM 4123 OH2 TIP3 865 7.963 4.531 -17.837 0.00 0.00 WAT1 ATOM 4124 H1 TIP3 865 7.744 5.061 -18.602 0.00 0.00 WAT1 ATOM 4125 H2 TIP3 865 7.295 4.758 -17.188 0.00 0.00 WAT1 ATOM 4126 OH2 TIP3 866 10.532 12.207 -17.549 0.00 0.00 WAT1 ATOM 4127 H1 TIP3 866 9.792 12.805 -17.445 0.00 0.00 WAT1 ATOM 4128 H2 TIP3 866 11.245 12.761 -17.864 0.00 0.00 WAT1 ATOM 4129 OH2 TIP3 867 8.940 14.171 -16.761 0.00 0.00 WAT1 ATOM 4130 H1 TIP3 867 8.934 15.050 -17.139 0.00 0.00 WAT1 ATOM 4131 H2 TIP3 867 8.085 14.088 -16.337 0.00 0.00 WAT1 ATOM 4132 OH2 TIP3 868 9.674 10.283 -19.415 0.00 0.00 WAT1 ATOM 4133 H1 TIP3 868 10.239 10.404 -20.178 0.00 0.00 WAT1 ATOM 4134 H2 TIP3 868 9.992 10.920 -18.776 0.00 0.00 WAT1 ATOM 4135 OH2 TIP3 869 10.553 14.682 -14.698 0.00 0.00 WAT1 ATOM 4136 H1 TIP3 869 10.242 15.464 -14.242 0.00 0.00 WAT1 ATOM 4137 H2 TIP3 869 9.904 14.529 -15.384 0.00 0.00 WAT1 ATOM 4138 OH2 TIP3 870 8.793 16.754 -13.934 0.00 0.00 WAT1 ATOM 4139 H1 TIP3 870 8.800 16.618 -14.883 0.00 0.00 WAT1 ATOM 4140 H2 TIP3 870 7.877 16.636 -13.682 0.00 0.00 WAT1 ATOM 4141 OH2 TIP3 871 4.389 12.947 -16.645 0.00 0.00 WAT1 ATOM 4142 H1 TIP3 871 3.889 12.919 -17.459 0.00 0.00 WAT1 ATOM 4143 H2 TIP3 871 4.396 12.041 -16.334 0.00 0.00 WAT1 ATOM 4144 OH2 TIP3 872 6.639 14.270 -15.601 0.00 0.00 WAT1 ATOM 4145 H1 TIP3 872 6.856 13.909 -14.741 0.00 0.00 WAT1 ATOM 4146 H2 TIP3 872 5.784 13.896 -15.811 0.00 0.00 WAT1 ATOM 4147 OH2 TIP3 873 9.349 7.706 -18.511 0.00 0.00 WAT1 ATOM 4148 H1 TIP3 873 8.707 7.665 -17.802 0.00 0.00 WAT1 ATOM 4149 H2 TIP3 873 9.386 8.632 -18.748 0.00 0.00 WAT1 ATOM 4150 OH2 TIP3 874 13.984 8.518 -13.293 0.00 0.00 WAT1 ATOM 4151 H1 TIP3 874 13.421 7.814 -12.973 0.00 0.00 WAT1 ATOM 4152 H2 TIP3 874 14.809 8.398 -12.826 0.00 0.00 WAT1 ATOM 4153 OH2 TIP3 875 7.099 8.026 -16.643 0.00 0.00 WAT1 ATOM 4154 H1 TIP3 875 7.061 8.426 -15.775 0.00 0.00 WAT1 ATOM 4155 H2 TIP3 875 6.608 7.209 -16.553 0.00 0.00 WAT1 ATOM 4156 OH2 TIP3 876 19.620 20.261 -12.971 0.00 0.00 WAT1 ATOM 4157 H1 TIP3 876 19.820 20.685 -13.806 0.00 0.00 WAT1 ATOM 4158 H2 TIP3 876 20.276 20.604 -12.364 0.00 0.00 WAT1 ATOM 4159 OH2 TIP3 877 11.568 10.016 -13.229 0.00 0.00 WAT1 ATOM 4160 H1 TIP3 877 11.272 9.850 -14.124 0.00 0.00 WAT1 ATOM 4161 H2 TIP3 877 12.498 9.796 -13.239 0.00 0.00 WAT1 ATOM 4162 OH2 TIP3 878 6.185 5.252 -15.884 0.00 0.00 WAT1 ATOM 4163 H1 TIP3 878 5.292 5.591 -15.951 0.00 0.00 WAT1 ATOM 4164 H2 TIP3 878 6.086 4.397 -15.466 0.00 0.00 WAT1 ATOM 4165 OH2 TIP3 879 13.440 7.359 -15.877 0.00 0.00 WAT1 ATOM 4166 H1 TIP3 879 13.559 7.933 -15.120 0.00 0.00 WAT1 ATOM 4167 H2 TIP3 879 14.095 6.671 -15.762 0.00 0.00 WAT1 ATOM 4168 OH2 TIP3 880 5.047 18.944 -13.096 0.00 0.00 WAT1 ATOM 4169 H1 TIP3 880 5.587 18.727 -12.337 0.00 0.00 WAT1 ATOM 4170 H2 TIP3 880 4.566 18.138 -13.287 0.00 0.00 WAT1 ATOM 4171 OH2 TIP3 881 9.644 17.863 -11.476 0.00 0.00 WAT1 ATOM 4172 H1 TIP3 881 10.412 17.404 -11.135 0.00 0.00 WAT1 ATOM 4173 H2 TIP3 881 9.623 17.637 -12.406 0.00 0.00 WAT1 ATOM 4174 OH2 TIP3 882 11.609 12.724 -12.710 0.00 0.00 WAT1 ATOM 4175 H1 TIP3 882 11.280 12.995 -13.567 0.00 0.00 WAT1 ATOM 4176 H2 TIP3 882 11.761 11.783 -12.797 0.00 0.00 WAT1 ATOM 4177 OH2 TIP3 883 9.733 8.963 -15.348 0.00 0.00 WAT1 ATOM 4178 H1 TIP3 883 9.115 9.638 -15.067 0.00 0.00 WAT1 ATOM 4179 H2 TIP3 883 10.077 9.284 -16.181 0.00 0.00 WAT1 ATOM 4180 OH2 TIP3 884 14.753 11.434 -12.070 0.00 0.00 WAT1 ATOM 4181 H1 TIP3 884 15.706 11.518 -12.098 0.00 0.00 WAT1 ATOM 4182 H2 TIP3 884 14.593 10.723 -11.451 0.00 0.00 WAT1 ATOM 4183 OH2 TIP3 885 10.073 6.318 -14.265 0.00 0.00 WAT1 ATOM 4184 H1 TIP3 885 10.223 5.589 -14.868 0.00 0.00 WAT1 ATOM 4185 H2 TIP3 885 10.075 7.095 -14.825 0.00 0.00 WAT1 ATOM 4186 OH2 TIP3 886 10.485 4.688 -16.773 0.00 0.00 WAT1 ATOM 4187 H1 TIP3 886 11.021 5.139 -17.425 0.00 0.00 WAT1 ATOM 4188 H2 TIP3 886 9.633 4.580 -17.195 0.00 0.00 WAT1 ATOM 4189 OH2 TIP3 887 12.067 10.127 -16.534 0.00 0.00 WAT1 ATOM 4190 H1 TIP3 887 12.818 9.971 -17.107 0.00 0.00 WAT1 ATOM 4191 H2 TIP3 887 11.728 10.979 -16.809 0.00 0.00 WAT1 ATOM 4192 OH2 TIP3 888 16.483 7.942 -11.505 0.00 0.00 WAT1 ATOM 4193 H1 TIP3 888 16.675 7.011 -11.616 0.00 0.00 WAT1 ATOM 4194 H2 TIP3 888 17.340 8.367 -11.515 0.00 0.00 WAT1 ATOM 4195 OH2 TIP3 889 12.555 6.466 -12.778 0.00 0.00 WAT1 ATOM 4196 H1 TIP3 889 12.319 6.246 -11.877 0.00 0.00 WAT1 ATOM 4197 H2 TIP3 889 11.772 6.259 -13.287 0.00 0.00 WAT1 ATOM 4198 OH2 TIP3 890 4.580 11.189 -19.624 0.00 0.00 WAT1 ATOM 4199 H1 TIP3 890 4.764 11.107 -20.559 0.00 0.00 WAT1 ATOM 4200 H2 TIP3 890 5.429 11.065 -19.200 0.00 0.00 WAT1 ATOM 4201 OH2 TIP3 891 3.703 7.771 -19.523 0.00 0.00 WAT1 ATOM 4202 H1 TIP3 891 4.195 7.550 -20.313 0.00 0.00 WAT1 ATOM 4203 H2 TIP3 891 4.065 8.612 -19.242 0.00 0.00 WAT1 ATOM 4204 OH2 TIP3 892 6.172 15.942 -12.980 0.00 0.00 WAT1 ATOM 4205 H1 TIP3 892 5.351 16.117 -13.441 0.00 0.00 WAT1 ATOM 4206 H2 TIP3 892 5.920 15.869 -12.059 0.00 0.00 WAT1 ATOM 4207 OH2 TIP3 893 6.414 2.788 -13.776 0.00 0.00 WAT1 ATOM 4208 H1 TIP3 893 6.048 2.023 -13.333 0.00 0.00 WAT1 ATOM 4209 H2 TIP3 893 7.327 2.817 -13.489 0.00 0.00 WAT1 ATOM 4210 OH2 TIP3 894 8.387 2.139 -12.240 0.00 0.00 WAT1 ATOM 4211 H1 TIP3 894 9.286 1.865 -12.425 0.00 0.00 WAT1 ATOM 4212 H2 TIP3 894 8.001 1.396 -11.776 0.00 0.00 WAT1 ATOM 4213 OH2 TIP3 895 6.836 10.300 0.533 0.00 0.00 WAT1 ATOM 4214 H1 TIP3 895 6.878 9.674 1.256 0.00 0.00 WAT1 ATOM 4215 H2 TIP3 895 7.539 10.923 0.715 0.00 0.00 WAT1 ATOM 4216 OH2 TIP3 896 15.998 7.512 -0.327 0.00 0.00 WAT1 ATOM 4217 H1 TIP3 896 16.140 6.565 -0.306 0.00 0.00 WAT1 ATOM 4218 H2 TIP3 896 15.892 7.719 -1.256 0.00 0.00 WAT1 ATOM 4219 OH2 TIP3 897 9.152 5.613 -3.054 0.00 0.00 WAT1 ATOM 4220 H1 TIP3 897 9.196 6.473 -3.473 0.00 0.00 WAT1 ATOM 4221 H2 TIP3 897 8.695 5.061 -3.688 0.00 0.00 WAT1 ATOM 4222 OH2 TIP3 898 16.875 5.744 -4.653 0.00 0.00 WAT1 ATOM 4223 H1 TIP3 898 17.521 5.415 -4.028 0.00 0.00 WAT1 ATOM 4224 H2 TIP3 898 17.385 6.262 -5.277 0.00 0.00 WAT1 ATOM 4225 OH2 TIP3 899 7.963 4.531 1.019 0.00 0.00 WAT1 ATOM 4226 H1 TIP3 899 7.744 5.061 0.253 0.00 0.00 WAT1 ATOM 4227 H2 TIP3 899 7.295 4.758 1.667 0.00 0.00 WAT1 ATOM 4228 OH2 TIP3 900 10.532 12.207 1.308 0.00 0.00 WAT1 ATOM 4229 H1 TIP3 900 9.792 12.805 1.410 0.00 0.00 WAT1 ATOM 4230 H2 TIP3 900 11.245 12.761 0.992 0.00 0.00 WAT1 ATOM 4231 OH2 TIP3 901 18.639 5.035 -2.672 0.00 0.00 WAT1 ATOM 4232 H1 TIP3 901 18.424 4.269 -2.140 0.00 0.00 WAT1 ATOM 4233 H2 TIP3 901 19.294 5.507 -2.159 0.00 0.00 WAT1 ATOM 4234 OH2 TIP3 902 7.557 6.423 -1.027 0.00 0.00 WAT1 ATOM 4235 H1 TIP3 902 8.170 7.056 -0.654 0.00 0.00 WAT1 ATOM 4236 H2 TIP3 902 8.069 5.951 -1.684 0.00 0.00 WAT1 ATOM 4237 OH2 TIP3 903 8.940 14.171 2.095 0.00 0.00 WAT1 ATOM 4238 H1 TIP3 903 8.934 15.050 1.716 0.00 0.00 WAT1 ATOM 4239 H2 TIP3 903 8.085 14.088 2.520 0.00 0.00 WAT1 ATOM 4240 OH2 TIP3 904 11.989 1.837 -1.527 0.00 0.00 WAT1 ATOM 4241 H1 TIP3 904 11.872 0.888 -1.581 0.00 0.00 WAT1 ATOM 4242 H2 TIP3 904 11.134 2.169 -1.254 0.00 0.00 WAT1 ATOM 4243 OH2 TIP3 905 19.782 13.712 3.201 0.00 0.00 WAT1 ATOM 4244 H1 TIP3 905 19.922 13.121 2.462 0.00 0.00 WAT1 ATOM 4245 H2 TIP3 905 19.951 14.585 2.845 0.00 0.00 WAT1 ATOM 4246 OH2 TIP3 906 14.309 9.132 -9.989 0.00 0.00 WAT1 ATOM 4247 H1 TIP3 906 15.011 9.154 -9.338 0.00 0.00 WAT1 ATOM 4248 H2 TIP3 906 14.612 8.504 -10.644 0.00 0.00 WAT1 ATOM 4249 OH2 TIP3 907 21.625 10.052 1.267 0.00 0.00 WAT1 ATOM 4250 H1 TIP3 907 20.973 10.747 1.356 0.00 0.00 WAT1 ATOM 4251 H2 TIP3 907 22.090 10.262 0.457 0.00 0.00 WAT1 ATOM 4252 OH2 TIP3 908 17.559 9.058 2.993 0.00 0.00 WAT1 ATOM 4253 H1 TIP3 908 17.639 9.821 3.565 0.00 0.00 WAT1 ATOM 4254 H2 TIP3 908 16.957 9.337 2.302 0.00 0.00 WAT1 ATOM 4255 OH2 TIP3 909 10.553 14.682 4.158 0.00 0.00 WAT1 ATOM 4256 H1 TIP3 909 10.242 15.464 4.614 0.00 0.00 WAT1 ATOM 4257 H2 TIP3 909 9.904 14.529 3.472 0.00 0.00 WAT1 ATOM 4258 OH2 TIP3 910 16.532 10.046 -8.390 0.00 0.00 WAT1 ATOM 4259 H1 TIP3 910 17.111 10.196 -7.643 0.00 0.00 WAT1 ATOM 4260 H2 TIP3 910 16.947 10.517 -9.114 0.00 0.00 WAT1 ATOM 4261 OH2 TIP3 911 7.474 10.880 3.387 0.00 0.00 WAT1 ATOM 4262 H1 TIP3 911 7.544 11.531 4.085 0.00 0.00 WAT1 ATOM 4263 H2 TIP3 911 6.583 10.983 3.052 0.00 0.00 WAT1 ATOM 4264 OH2 TIP3 912 8.793 16.754 4.921 0.00 0.00 WAT1 ATOM 4265 H1 TIP3 912 8.800 16.618 3.974 0.00 0.00 WAT1 ATOM 4266 H2 TIP3 912 7.877 16.636 5.174 0.00 0.00 WAT1 ATOM 4267 OH2 TIP3 913 21.421 16.162 -10.200 0.00 0.00 WAT1 ATOM 4268 H1 TIP3 913 21.494 17.101 -10.030 0.00 0.00 WAT1 ATOM 4269 H2 TIP3 913 22.325 15.857 -10.258 0.00 0.00 WAT1 ATOM 4270 OH2 TIP3 914 4.389 12.947 2.212 0.00 0.00 WAT1 ATOM 4271 H1 TIP3 914 3.889 12.919 1.397 0.00 0.00 WAT1 ATOM 4272 H2 TIP3 914 4.396 12.041 2.522 0.00 0.00 WAT1 ATOM 4273 OH2 TIP3 915 4.141 15.727 -0.904 0.00 0.00 WAT1 ATOM 4274 H1 TIP3 915 5.087 15.583 -0.923 0.00 0.00 WAT1 ATOM 4275 H2 TIP3 915 4.027 16.511 -0.367 0.00 0.00 WAT1 ATOM 4276 OH2 TIP3 916 22.337 16.393 4.777 0.00 0.00 WAT1 ATOM 4277 H1 TIP3 916 22.288 15.438 4.741 0.00 0.00 WAT1 ATOM 4278 H2 TIP3 916 21.511 16.661 5.180 0.00 0.00 WAT1 ATOM 4279 OH2 TIP3 917 13.317 15.967 3.653 0.00 0.00 WAT1 ATOM 4280 H1 TIP3 917 13.404 16.793 4.129 0.00 0.00 WAT1 ATOM 4281 H2 TIP3 917 12.453 15.637 3.903 0.00 0.00 WAT1 ATOM 4282 OH2 TIP3 918 13.731 19.739 -6.540 0.00 0.00 WAT1 ATOM 4283 H1 TIP3 918 13.655 19.618 -7.486 0.00 0.00 WAT1 ATOM 4284 H2 TIP3 918 13.764 20.689 -6.421 0.00 0.00 WAT1 ATOM 4285 OH2 TIP3 919 16.832 18.893 -9.537 0.00 0.00 WAT1 ATOM 4286 H1 TIP3 919 17.207 18.149 -10.008 0.00 0.00 WAT1 ATOM 4287 H2 TIP3 919 16.837 18.623 -8.620 0.00 0.00 WAT1 ATOM 4288 OH2 TIP3 920 16.502 18.819 -6.788 0.00 0.00 WAT1 ATOM 4289 H1 TIP3 920 15.567 18.919 -6.610 0.00 0.00 WAT1 ATOM 4290 H2 TIP3 920 16.782 18.110 -6.210 0.00 0.00 WAT1 ATOM 4291 OH2 TIP3 921 6.639 14.270 3.254 0.00 0.00 WAT1 ATOM 4292 H1 TIP3 921 6.856 13.909 4.114 0.00 0.00 WAT1 ATOM 4293 H2 TIP3 921 5.784 13.896 3.044 0.00 0.00 WAT1 ATOM 4294 OH2 TIP3 922 9.258 2.740 -0.750 0.00 0.00 WAT1 ATOM 4295 H1 TIP3 922 8.396 2.653 -1.157 0.00 0.00 WAT1 ATOM 4296 H2 TIP3 922 9.236 3.596 -0.323 0.00 0.00 WAT1 ATOM 4297 OH2 TIP3 923 18.010 11.079 -10.760 0.00 0.00 WAT1 ATOM 4298 H1 TIP3 923 18.052 10.856 -11.691 0.00 0.00 WAT1 ATOM 4299 H2 TIP3 923 18.858 11.477 -10.570 0.00 0.00 WAT1 ATOM 4300 OH2 TIP3 924 9.349 7.706 0.345 0.00 0.00 WAT1 ATOM 4301 H1 TIP3 924 8.707 7.665 1.054 0.00 0.00 WAT1 ATOM 4302 H2 TIP3 924 9.386 8.632 0.107 0.00 0.00 WAT1 ATOM 4303 OH2 TIP3 925 15.886 7.789 -3.111 0.00 0.00 WAT1 ATOM 4304 H1 TIP3 925 15.691 8.394 -3.827 0.00 0.00 WAT1 ATOM 4305 H2 TIP3 925 16.068 6.955 -3.546 0.00 0.00 WAT1 ATOM 4306 OH2 TIP3 926 7.099 8.026 2.212 0.00 0.00 WAT1 ATOM 4307 H1 TIP3 926 7.061 8.426 3.081 0.00 0.00 WAT1 ATOM 4308 H2 TIP3 926 6.608 7.209 2.302 0.00 0.00 WAT1 ATOM 4309 OH2 TIP3 927 10.465 5.400 -10.989 0.00 0.00 WAT1 ATOM 4310 H1 TIP3 927 10.034 4.955 -10.259 0.00 0.00 WAT1 ATOM 4311 H2 TIP3 927 9.747 5.772 -11.502 0.00 0.00 WAT1 ATOM 4312 OH2 TIP3 928 15.149 9.427 1.559 0.00 0.00 WAT1 ATOM 4313 H1 TIP3 928 15.474 8.796 0.917 0.00 0.00 WAT1 ATOM 4314 H2 TIP3 928 14.710 8.892 2.220 0.00 0.00 WAT1 ATOM 4315 OH2 TIP3 929 11.928 5.354 -3.656 0.00 0.00 WAT1 ATOM 4316 H1 TIP3 929 11.017 5.411 -3.367 0.00 0.00 WAT1 ATOM 4317 H2 TIP3 929 12.433 5.294 -2.845 0.00 0.00 WAT1 ATOM 4318 OH2 TIP3 930 10.409 6.983 -7.174 0.00 0.00 WAT1 ATOM 4319 H1 TIP3 930 11.341 7.112 -6.995 0.00 0.00 WAT1 ATOM 4320 H2 TIP3 930 10.194 7.653 -7.822 0.00 0.00 WAT1 ATOM 4321 OH2 TIP3 931 16.332 4.589 -0.392 0.00 0.00 WAT1 ATOM 4322 H1 TIP3 931 15.655 4.720 0.272 0.00 0.00 WAT1 ATOM 4323 H2 TIP3 931 15.847 4.434 -1.202 0.00 0.00 WAT1 ATOM 4324 OH2 TIP3 932 13.248 8.142 -1.769 0.00 0.00 WAT1 ATOM 4325 H1 TIP3 932 13.812 7.595 -2.317 0.00 0.00 WAT1 ATOM 4326 H2 TIP3 932 13.100 7.620 -0.980 0.00 0.00 WAT1 ATOM 4327 OH2 TIP3 933 8.250 4.278 -5.351 0.00 0.00 WAT1 ATOM 4328 H1 TIP3 933 7.933 3.376 -5.386 0.00 0.00 WAT1 ATOM 4329 H2 TIP3 933 9.030 4.280 -5.903 0.00 0.00 WAT1 ATOM 4330 OH2 TIP3 934 11.873 6.530 0.644 0.00 0.00 WAT1 ATOM 4331 H1 TIP3 934 11.039 6.984 0.755 0.00 0.00 WAT1 ATOM 4332 H2 TIP3 934 12.398 6.806 1.397 0.00 0.00 WAT1 ATOM 4333 OH2 TIP3 935 19.568 11.876 1.115 0.00 0.00 WAT1 ATOM 4334 H1 TIP3 935 20.210 12.333 0.573 0.00 0.00 WAT1 ATOM 4335 H2 TIP3 935 18.738 11.989 0.654 0.00 0.00 WAT1 ATOM 4336 OH2 TIP3 936 16.316 5.557 -9.472 0.00 0.00 WAT1 ATOM 4337 H1 TIP3 936 15.378 5.669 -9.623 0.00 0.00 WAT1 ATOM 4338 H2 TIP3 936 16.613 6.414 -9.165 0.00 0.00 WAT1 ATOM 4339 OH2 TIP3 937 13.938 12.927 3.567 0.00 0.00 WAT1 ATOM 4340 H1 TIP3 937 13.591 12.546 4.373 0.00 0.00 WAT1 ATOM 4341 H2 TIP3 937 13.738 13.861 3.637 0.00 0.00 WAT1 ATOM 4342 OH2 TIP3 938 17.034 7.424 -7.810 0.00 0.00 WAT1 ATOM 4343 H1 TIP3 938 17.925 7.287 -7.492 0.00 0.00 WAT1 ATOM 4344 H2 TIP3 938 17.090 8.215 -8.348 0.00 0.00 WAT1 ATOM 4345 OH2 TIP3 939 14.544 14.202 -8.646 0.00 0.00 WAT1 ATOM 4346 H1 TIP3 939 14.248 15.028 -8.264 0.00 0.00 WAT1 ATOM 4347 H2 TIP3 939 13.841 13.582 -8.450 0.00 0.00 WAT1 ATOM 4348 OH2 TIP3 940 4.551 10.499 3.414 0.00 0.00 WAT1 ATOM 4349 H1 TIP3 940 4.774 10.081 4.245 0.00 0.00 WAT1 ATOM 4350 H2 TIP3 940 3.949 9.886 2.991 0.00 0.00 WAT1 ATOM 4351 OH2 TIP3 941 21.883 13.434 4.720 0.00 0.00 WAT1 ATOM 4352 H1 TIP3 941 21.030 13.672 4.354 0.00 0.00 WAT1 ATOM 4353 H2 TIP3 941 22.473 13.417 3.967 0.00 0.00 WAT1 ATOM 4354 OH2 TIP3 942 20.215 16.420 -7.652 0.00 0.00 WAT1 ATOM 4355 H1 TIP3 942 19.841 15.594 -7.341 0.00 0.00 WAT1 ATOM 4356 H2 TIP3 942 20.492 16.237 -8.549 0.00 0.00 WAT1 ATOM 4357 OH2 TIP3 943 17.607 14.396 -9.831 0.00 0.00 WAT1 ATOM 4358 H1 TIP3 943 17.960 14.016 -9.027 0.00 0.00 WAT1 ATOM 4359 H2 TIP3 943 16.657 14.303 -9.745 0.00 0.00 WAT1 ATOM 4360 OH2 TIP3 944 18.062 18.019 3.565 0.00 0.00 WAT1 ATOM 4361 H1 TIP3 944 17.460 17.464 3.070 0.00 0.00 WAT1 ATOM 4362 H2 TIP3 944 18.343 18.686 2.938 0.00 0.00 WAT1 ATOM 4363 OH2 TIP3 945 22.111 18.876 -9.630 0.00 0.00 WAT1 ATOM 4364 H1 TIP3 945 22.854 19.462 -9.770 0.00 0.00 WAT1 ATOM 4365 H2 TIP3 945 21.416 19.444 -9.296 0.00 0.00 WAT1 ATOM 4366 OH2 TIP3 946 6.185 5.252 2.972 0.00 0.00 WAT1 ATOM 4367 H1 TIP3 946 5.292 5.591 2.905 0.00 0.00 WAT1 ATOM 4368 H2 TIP3 946 6.086 4.397 3.390 0.00 0.00 WAT1 ATOM 4369 OH2 TIP3 947 18.473 13.069 -7.604 0.00 0.00 WAT1 ATOM 4370 H1 TIP3 947 18.196 12.341 -7.049 0.00 0.00 WAT1 ATOM 4371 H2 TIP3 947 19.399 13.188 -7.399 0.00 0.00 WAT1 ATOM 4372 OH2 TIP3 948 5.836 17.057 1.406 0.00 0.00 WAT1 ATOM 4373 H1 TIP3 948 6.053 16.125 1.376 0.00 0.00 WAT1 ATOM 4374 H2 TIP3 948 6.083 17.331 2.291 0.00 0.00 WAT1 ATOM 4375 OH2 TIP3 949 11.698 15.508 -11.383 0.00 0.00 WAT1 ATOM 4376 H1 TIP3 949 11.937 14.760 -11.931 0.00 0.00 WAT1 ATOM 4377 H2 TIP3 949 11.429 15.120 -10.551 0.00 0.00 WAT1 ATOM 4378 OH2 TIP3 950 15.704 4.645 -7.041 0.00 0.00 WAT1 ATOM 4379 H1 TIP3 950 15.924 5.117 -7.845 0.00 0.00 WAT1 ATOM 4380 H2 TIP3 950 16.262 5.040 -6.370 0.00 0.00 WAT1 ATOM 4381 OH2 TIP3 951 13.373 16.776 -8.178 0.00 0.00 WAT1 ATOM 4382 H1 TIP3 951 12.556 17.273 -8.126 0.00 0.00 WAT1 ATOM 4383 H2 TIP3 951 13.902 17.251 -8.819 0.00 0.00 WAT1 ATOM 4384 OH2 TIP3 952 12.904 6.373 -6.207 0.00 0.00 WAT1 ATOM 4385 H1 TIP3 952 13.716 6.877 -6.161 0.00 0.00 WAT1 ATOM 4386 H2 TIP3 952 12.659 6.228 -5.293 0.00 0.00 WAT1 ATOM 4387 OH2 TIP3 953 13.440 7.359 2.978 0.00 0.00 WAT1 ATOM 4388 H1 TIP3 953 13.559 7.933 3.736 0.00 0.00 WAT1 ATOM 4389 H2 TIP3 953 14.095 6.671 3.094 0.00 0.00 WAT1 ATOM 4390 OH2 TIP3 954 10.710 17.819 -8.197 0.00 0.00 WAT1 ATOM 4391 H1 TIP3 954 10.872 18.619 -8.697 0.00 0.00 WAT1 ATOM 4392 H2 TIP3 954 10.514 18.126 -7.312 0.00 0.00 WAT1 ATOM 4393 OH2 TIP3 955 9.445 4.517 -8.581 0.00 0.00 WAT1 ATOM 4394 H1 TIP3 955 9.362 5.406 -8.235 0.00 0.00 WAT1 ATOM 4395 H2 TIP3 955 10.335 4.252 -8.350 0.00 0.00 WAT1 ATOM 4396 OH2 TIP3 956 18.245 9.017 -2.091 0.00 0.00 WAT1 ATOM 4397 H1 TIP3 956 17.449 8.602 -2.419 0.00 0.00 WAT1 ATOM 4398 H2 TIP3 956 18.691 8.326 -1.599 0.00 0.00 WAT1 ATOM 4399 OH2 TIP3 957 9.644 17.863 7.380 0.00 0.00 WAT1 ATOM 4400 H1 TIP3 957 10.412 17.404 7.721 0.00 0.00 WAT1 ATOM 4401 H2 TIP3 957 9.623 17.637 6.450 0.00 0.00 WAT1 ATOM 4402 OH2 TIP3 958 13.736 17.371 -11.245 0.00 0.00 WAT1 ATOM 4403 H1 TIP3 958 13.091 16.740 -10.923 0.00 0.00 WAT1 ATOM 4404 H2 TIP3 958 14.498 16.840 -11.477 0.00 0.00 WAT1 ATOM 4405 OH2 TIP3 959 16.221 16.243 6.109 0.00 0.00 WAT1 ATOM 4406 H1 TIP3 959 15.870 15.387 6.351 0.00 0.00 WAT1 ATOM 4407 H2 TIP3 959 16.947 16.386 6.716 0.00 0.00 WAT1 ATOM 4408 OH2 TIP3 960 18.340 17.188 -11.011 0.00 0.00 WAT1 ATOM 4409 H1 TIP3 960 18.623 16.394 -10.558 0.00 0.00 WAT1 ATOM 4410 H2 TIP3 960 19.079 17.421 -11.572 0.00 0.00 WAT1 ATOM 4411 OH2 TIP3 961 11.609 12.724 6.146 0.00 0.00 WAT1 ATOM 4412 H1 TIP3 961 11.280 12.995 5.289 0.00 0.00 WAT1 ATOM 4413 H2 TIP3 961 11.761 11.783 6.059 0.00 0.00 WAT1 ATOM 4414 OH2 TIP3 962 14.647 14.145 -11.418 0.00 0.00 WAT1 ATOM 4415 H1 TIP3 962 14.379 14.325 -10.518 0.00 0.00 WAT1 ATOM 4416 H2 TIP3 962 14.441 13.219 -11.550 0.00 0.00 WAT1 ATOM 4417 OH2 TIP3 963 17.343 12.640 3.530 0.00 0.00 WAT1 ATOM 4418 H1 TIP3 963 18.088 13.228 3.409 0.00 0.00 WAT1 ATOM 4419 H2 TIP3 963 16.587 13.222 3.592 0.00 0.00 WAT1 ATOM 4420 OH2 TIP3 964 9.733 8.963 3.507 0.00 0.00 WAT1 ATOM 4421 H1 TIP3 964 9.115 9.638 3.789 0.00 0.00 WAT1 ATOM 4422 H2 TIP3 964 10.077 9.284 2.674 0.00 0.00 WAT1 ATOM 4423 OH2 TIP3 965 11.514 9.313 -10.585 0.00 0.00 WAT1 ATOM 4424 H1 TIP3 965 11.335 9.159 -11.513 0.00 0.00 WAT1 ATOM 4425 H2 TIP3 965 12.466 9.421 -10.541 0.00 0.00 WAT1 ATOM 4426 OH2 TIP3 966 10.073 6.318 4.591 0.00 0.00 WAT1 ATOM 4427 H1 TIP3 966 10.223 5.589 3.988 0.00 0.00 WAT1 ATOM 4428 H2 TIP3 966 10.075 7.095 4.031 0.00 0.00 WAT1 ATOM 4429 OH2 TIP3 967 10.485 4.688 2.083 0.00 0.00 WAT1 ATOM 4430 H1 TIP3 967 11.021 5.139 1.430 0.00 0.00 WAT1 ATOM 4431 H2 TIP3 967 9.633 4.580 1.660 0.00 0.00 WAT1 ATOM 4432 OH2 TIP3 968 12.067 10.127 2.323 0.00 0.00 WAT1 ATOM 4433 H1 TIP3 968 12.818 9.971 1.749 0.00 0.00 WAT1 ATOM 4434 H2 TIP3 968 11.728 10.979 2.047 0.00 0.00 WAT1 ATOM 4435 OH2 TIP3 969 11.291 2.144 2.515 0.00 0.00 WAT1 ATOM 4436 H1 TIP3 969 11.193 3.091 2.408 0.00 0.00 WAT1 ATOM 4437 H2 TIP3 969 10.548 1.772 2.039 0.00 0.00 WAT1 ATOM 4438 OH2 TIP3 970 6.732 5.437 6.207 0.00 0.00 WAT1 ATOM 4439 H1 TIP3 970 6.943 4.730 5.595 0.00 0.00 WAT1 ATOM 4440 H2 TIP3 970 6.620 4.999 7.051 0.00 0.00 WAT1 ATOM 4441 OH2 TIP3 971 11.513 1.438 5.185 0.00 0.00 WAT1 ATOM 4442 H1 TIP3 971 12.225 0.798 5.171 0.00 0.00 WAT1 ATOM 4443 H2 TIP3 971 11.412 1.705 4.271 0.00 0.00 WAT1 ATOM 4444 OH2 TIP3 972 11.413 20.004 -9.585 0.00 0.00 WAT1 ATOM 4445 H1 TIP3 972 12.346 20.162 -9.441 0.00 0.00 WAT1 ATOM 4446 H2 TIP3 972 11.149 20.679 -10.210 0.00 0.00 WAT1 ATOM 4447 OH2 TIP3 973 22.049 18.923 -0.240 0.00 0.00 WAT1 ATOM 4448 H1 TIP3 973 22.026 19.108 0.700 0.00 0.00 WAT1 ATOM 4449 H2 TIP3 973 22.739 19.492 -0.581 0.00 0.00 WAT1 ATOM 4450 OH2 TIP3 974 21.611 18.490 2.682 0.00 0.00 WAT1 ATOM 4451 H1 TIP3 974 21.125 17.755 2.312 0.00 0.00 WAT1 ATOM 4452 H2 TIP3 974 22.160 18.097 3.361 0.00 0.00 WAT1 ATOM 4453 OH2 TIP3 975 21.364 12.537 -7.165 0.00 0.00 WAT1 ATOM 4454 H1 TIP3 975 22.214 12.958 -7.037 0.00 0.00 WAT1 ATOM 4455 H2 TIP3 975 21.369 11.797 -6.557 0.00 0.00 WAT1 ATOM 4456 OH2 TIP3 976 21.758 10.590 -5.341 0.00 0.00 WAT1 ATOM 4457 H1 TIP3 976 21.032 10.111 -4.944 0.00 0.00 WAT1 ATOM 4458 H2 TIP3 976 22.339 10.796 -4.610 0.00 0.00 WAT1 ATOM 4459 OH2 TIP3 977 21.517 13.375 -0.393 0.00 0.00 WAT1 ATOM 4460 H1 TIP3 977 22.351 12.997 -0.674 0.00 0.00 WAT1 ATOM 4461 H2 TIP3 977 21.629 14.318 -0.512 0.00 0.00 WAT1 ATOM 4462 OH2 TIP3 978 22.026 10.491 -8.950 0.00 0.00 WAT1 ATOM 4463 H1 TIP3 978 21.505 10.848 -9.669 0.00 0.00 WAT1 ATOM 4464 H2 TIP3 978 21.992 11.166 -8.272 0.00 0.00 WAT1 ATOM 4465 OH2 TIP3 979 19.544 9.111 -4.778 0.00 0.00 WAT1 ATOM 4466 H1 TIP3 979 19.395 8.166 -4.798 0.00 0.00 WAT1 ATOM 4467 H2 TIP3 979 19.191 9.392 -3.934 0.00 0.00 WAT1 ATOM 4468 OH2 TIP3 980 4.580 11.189 -0.768 0.00 0.00 WAT1 ATOM 4469 H1 TIP3 980 4.764 11.107 -1.704 0.00 0.00 WAT1 ATOM 4470 H2 TIP3 980 5.429 11.065 -0.345 0.00 0.00 WAT1 ATOM 4471 OH2 TIP3 981 19.255 6.694 -6.316 0.00 0.00 WAT1 ATOM 4472 H1 TIP3 981 19.535 5.787 -6.191 0.00 0.00 WAT1 ATOM 4473 H2 TIP3 981 20.014 7.128 -6.706 0.00 0.00 WAT1 ATOM 4474 OH2 TIP3 982 19.867 7.275 -0.880 0.00 0.00 WAT1 ATOM 4475 H1 TIP3 982 20.800 7.487 -0.914 0.00 0.00 WAT1 ATOM 4476 H2 TIP3 982 19.632 7.377 0.042 0.00 0.00 WAT1 ATOM 4477 OH2 TIP3 983 19.896 8.012 1.896 0.00 0.00 WAT1 ATOM 4478 H1 TIP3 983 19.053 8.280 2.262 0.00 0.00 WAT1 ATOM 4479 H2 TIP3 983 20.338 8.834 1.684 0.00 0.00 WAT1 ATOM 4480 OH2 TIP3 984 4.178 6.460 5.373 0.00 0.00 WAT1 ATOM 4481 H1 TIP3 984 5.097 6.338 5.608 0.00 0.00 WAT1 ATOM 4482 H2 TIP3 984 3.728 5.710 5.761 0.00 0.00 WAT1 ATOM 4483 OH2 TIP3 985 3.703 7.771 -0.667 0.00 0.00 WAT1 ATOM 4484 H1 TIP3 985 4.195 7.550 -1.458 0.00 0.00 WAT1 ATOM 4485 H2 TIP3 985 4.065 8.612 -0.386 0.00 0.00 WAT1 ATOM 4486 OH2 TIP3 986 13.437 18.316 5.094 0.00 0.00 WAT1 ATOM 4487 H1 TIP3 986 13.622 17.982 5.972 0.00 0.00 WAT1 ATOM 4488 H2 TIP3 986 14.284 18.625 4.771 0.00 0.00 WAT1 ATOM 4489 OH2 TIP3 987 15.782 19.601 4.338 0.00 0.00 WAT1 ATOM 4490 H1 TIP3 987 16.459 18.969 4.098 0.00 0.00 WAT1 ATOM 4491 H2 TIP3 987 16.104 20.003 5.146 0.00 0.00 WAT1 ATOM 4492 OH2 TIP3 988 6.528 20.173 2.182 0.00 0.00 WAT1 ATOM 4493 H1 TIP3 988 5.808 20.613 1.731 0.00 0.00 WAT1 ATOM 4494 H2 TIP3 988 6.162 19.922 3.031 0.00 0.00 WAT1 ATOM 4495 OH2 TIP3 989 5.943 18.796 -0.907 0.00 0.00 WAT1 ATOM 4496 H1 TIP3 989 5.924 18.371 -0.050 0.00 0.00 WAT1 ATOM 4497 H2 TIP3 989 6.748 18.478 -1.317 0.00 0.00 WAT1 ATOM 4498 OH2 TIP3 990 6.456 2.274 -4.438 0.00 0.00 WAT1 ATOM 4499 H1 TIP3 990 5.679 2.040 -4.946 0.00 0.00 WAT1 ATOM 4500 H2 TIP3 990 6.987 1.477 -4.429 0.00 0.00 WAT1 ATOM 4501 OH2 TIP3 991 5.293 2.072 -8.634 0.00 0.00 WAT1 ATOM 4502 H1 TIP3 991 5.732 2.683 -9.226 0.00 0.00 WAT1 ATOM 4503 H2 TIP3 991 4.659 2.610 -8.161 0.00 0.00 WAT1 ATOM 4504 OH2 TIP3 992 11.036 2.201 -4.624 0.00 0.00 WAT1 ATOM 4505 H1 TIP3 992 11.910 2.589 -4.655 0.00 0.00 WAT1 ATOM 4506 H2 TIP3 992 10.899 1.986 -3.702 0.00 0.00 WAT1 ATOM 4507 OH2 TIP3 993 7.154 3.988 -10.191 0.00 0.00 WAT1 ATOM 4508 H1 TIP3 993 7.645 3.358 -10.720 0.00 0.00 WAT1 ATOM 4509 H2 TIP3 993 7.777 4.284 -9.528 0.00 0.00 WAT1 ATOM 4510 OH2 TIP3 994 12.180 4.281 -7.735 0.00 0.00 WAT1 ATOM 4511 H1 TIP3 994 12.357 3.635 -7.052 0.00 0.00 WAT1 ATOM 4512 H2 TIP3 994 12.126 5.115 -7.268 0.00 0.00 WAT1 ATOM 4513 OH2 TIP3 995 14.058 19.230 -9.339 0.00 0.00 WAT1 ATOM 4514 H1 TIP3 995 14.924 19.596 -9.518 0.00 0.00 WAT1 ATOM 4515 H2 TIP3 995 13.811 18.790 -10.152 0.00 0.00 WAT1 ATOM 4516 OH2 TIP3 996 8.387 2.139 6.616 0.00 0.00 WAT1 ATOM 4517 H1 TIP3 996 9.286 1.865 6.431 0.00 0.00 WAT1 ATOM 4518 H2 TIP3 996 8.001 1.396 7.080 0.00 0.00 WAT1 ATOM 4519 OH2 TIP3 997 7.012 18.940 -10.711 0.00 0.00 WAT1 ATOM 4520 H1 TIP3 997 6.744 19.227 -9.838 0.00 0.00 WAT1 ATOM 4521 H2 TIP3 997 7.783 18.394 -10.559 0.00 0.00 WAT1 ATOM 4522 OH2 TIP3 998 19.985 17.544 5.491 0.00 0.00 WAT1 ATOM 4523 H1 TIP3 998 19.203 17.358 4.970 0.00 0.00 WAT1 ATOM 4524 H2 TIP3 998 19.913 18.473 5.707 0.00 0.00 WAT1 ATOM 4525 OH2 TIP3 999 16.832 18.893 9.319 0.00 0.00 WAT1 ATOM 4526 H1 TIP3 999 17.207 18.149 8.848 0.00 0.00 WAT1 ATOM 4527 H2 TIP3 999 16.837 18.623 10.236 0.00 0.00 WAT1 ATOM 4528 OH2 TIP3 1000 3.707 5.142 14.918 0.00 0.00 WAT1 ATOM 4529 H1 TIP3 1000 4.338 5.113 15.639 0.00 0.00 WAT1 ATOM 4530 H2 TIP3 1000 4.157 4.717 14.189 0.00 0.00 WAT1 ATOM 4531 OH2 TIP3 1001 4.982 5.888 10.343 0.00 0.00 WAT1 ATOM 4532 H1 TIP3 1001 5.456 6.479 9.758 0.00 0.00 WAT1 ATOM 4533 H2 TIP3 1001 4.264 6.419 10.690 0.00 0.00 WAT1 ATOM 4534 OH2 TIP3 1002 22.111 18.876 9.227 0.00 0.00 WAT1 ATOM 4535 H1 TIP3 1002 22.854 19.462 9.087 0.00 0.00 WAT1 ATOM 4536 H2 TIP3 1002 21.416 19.444 9.559 0.00 0.00 WAT1 ATOM 4537 OH2 TIP3 1003 11.698 15.508 7.473 0.00 0.00 WAT1 ATOM 4538 H1 TIP3 1003 11.937 14.760 6.925 0.00 0.00 WAT1 ATOM 4539 H2 TIP3 1003 11.429 15.120 8.305 0.00 0.00 WAT1 ATOM 4540 OH2 TIP3 1004 13.736 17.371 7.611 0.00 0.00 WAT1 ATOM 4541 H1 TIP3 1004 13.091 16.740 7.933 0.00 0.00 WAT1 ATOM 4542 H2 TIP3 1004 14.498 16.840 7.379 0.00 0.00 WAT1 ATOM 4543 OH2 TIP3 1005 18.340 17.188 7.845 0.00 0.00 WAT1 ATOM 4544 H1 TIP3 1005 18.623 16.394 8.298 0.00 0.00 WAT1 ATOM 4545 H2 TIP3 1005 19.079 17.421 7.284 0.00 0.00 WAT1 ATOM 4546 OH2 TIP3 1006 14.647 14.145 7.438 0.00 0.00 WAT1 ATOM 4547 H1 TIP3 1006 14.379 14.325 8.338 0.00 0.00 WAT1 ATOM 4548 H2 TIP3 1006 14.441 13.219 7.306 0.00 0.00 WAT1 ATOM 4549 OH2 TIP3 1007 11.413 20.004 9.271 0.00 0.00 WAT1 ATOM 4550 H1 TIP3 1007 12.346 20.162 9.416 0.00 0.00 WAT1 ATOM 4551 H2 TIP3 1007 11.149 20.679 8.646 0.00 0.00 WAT1 ATOM 4552 OH2 TIP3 1008 4.016 4.029 12.244 0.00 0.00 WAT1 ATOM 4553 H1 TIP3 1008 3.091 4.238 12.114 0.00 0.00 WAT1 ATOM 4554 H2 TIP3 1008 4.470 4.513 11.553 0.00 0.00 WAT1 ATOM 4555 OH2 TIP3 1009 6.456 2.274 14.418 0.00 0.00 WAT1 ATOM 4556 H1 TIP3 1009 5.679 2.040 13.911 0.00 0.00 WAT1 ATOM 4557 H2 TIP3 1009 6.987 1.477 14.427 0.00 0.00 WAT1 ATOM 4558 OH2 TIP3 1010 5.293 2.072 10.222 0.00 0.00 WAT1 ATOM 4559 H1 TIP3 1010 5.732 2.683 9.631 0.00 0.00 WAT1 ATOM 4560 H2 TIP3 1010 4.659 2.610 10.695 0.00 0.00 WAT1 ATOM 4561 OH2 TIP3 1011 7.154 3.988 8.665 0.00 0.00 WAT1 ATOM 4562 H1 TIP3 1011 7.645 3.358 8.136 0.00 0.00 WAT1 ATOM 4563 H2 TIP3 1011 7.777 4.284 9.328 0.00 0.00 WAT1 ATOM 4564 OH2 TIP3 1012 14.058 19.230 9.517 0.00 0.00 WAT1 ATOM 4565 H1 TIP3 1012 14.924 19.596 9.338 0.00 0.00 WAT1 ATOM 4566 H2 TIP3 1012 13.811 18.790 8.704 0.00 0.00 WAT1 ATOM 4567 OH2 TIP3 1013 19.489 26.742 -13.598 0.00 0.00 WAT1 ATOM 4568 H1 TIP3 1013 19.082 27.223 -14.319 0.00 0.00 WAT1 ATOM 4569 H2 TIP3 1013 19.530 25.837 -13.905 0.00 0.00 WAT1 ATOM 4570 OH2 TIP3 1014 19.643 24.122 -15.043 0.00 0.00 WAT1 ATOM 4571 H1 TIP3 1014 18.727 24.385 -15.130 0.00 0.00 WAT1 ATOM 4572 H2 TIP3 1014 19.980 24.119 -15.939 0.00 0.00 WAT1 ATOM 4573 OH2 TIP3 1015 16.483 26.798 -11.505 0.00 0.00 WAT1 ATOM 4574 H1 TIP3 1015 16.675 25.867 -11.616 0.00 0.00 WAT1 ATOM 4575 H2 TIP3 1015 17.340 27.223 -11.515 0.00 0.00 WAT1 ATOM 4576 OH2 TIP3 1016 16.904 23.083 -11.697 0.00 0.00 WAT1 ATOM 4577 H1 TIP3 1016 16.808 22.131 -11.704 0.00 0.00 WAT1 ATOM 4578 H2 TIP3 1016 16.582 23.352 -10.836 0.00 0.00 WAT1 ATOM 4579 OH2 TIP3 1017 21.898 27.840 -13.311 0.00 0.00 WAT1 ATOM 4580 H1 TIP3 1017 21.035 27.461 -13.476 0.00 0.00 WAT1 ATOM 4581 H2 TIP3 1017 22.502 27.101 -13.386 0.00 0.00 WAT1 ATOM 4582 OH2 TIP3 1018 22.178 20.848 -11.606 0.00 0.00 WAT1 ATOM 4583 H1 TIP3 1018 22.529 20.194 -12.212 0.00 0.00 WAT1 ATOM 4584 H2 TIP3 1018 22.325 21.685 -12.046 0.00 0.00 WAT1 ATOM 4585 OH2 TIP3 1019 21.699 22.957 -13.258 0.00 0.00 WAT1 ATOM 4586 H1 TIP3 1019 20.782 23.228 -13.293 0.00 0.00 WAT1 ATOM 4587 H2 TIP3 1019 21.822 22.422 -14.041 0.00 0.00 WAT1 ATOM 4588 OH2 TIP3 1020 8.387 20.995 -12.240 0.00 0.00 WAT1 ATOM 4589 H1 TIP3 1020 9.286 20.721 -12.425 0.00 0.00 WAT1 ATOM 4590 H2 TIP3 1020 8.001 20.252 -11.776 0.00 0.00 WAT1 ATOM 4591 OH2 TIP3 1021 16.809 20.327 -12.058 0.00 0.00 WAT1 ATOM 4592 H1 TIP3 1021 16.884 19.901 -11.204 0.00 0.00 WAT1 ATOM 4593 H2 TIP3 1021 17.702 20.341 -12.400 0.00 0.00 WAT1 ATOM 4594 OH2 TIP3 1022 15.535 30.286 -4.479 0.00 0.00 WAT1 ATOM 4595 H1 TIP3 1022 15.623 31.230 -4.611 0.00 0.00 WAT1 ATOM 4596 H2 TIP3 1022 14.896 30.011 -5.137 0.00 0.00 WAT1 ATOM 4597 OH2 TIP3 1023 14.468 29.541 -1.060 0.00 0.00 WAT1 ATOM 4598 H1 TIP3 1023 14.430 28.895 -0.355 0.00 0.00 WAT1 ATOM 4599 H2 TIP3 1023 14.145 29.075 -1.831 0.00 0.00 WAT1 ATOM 4600 OH2 TIP3 1024 9.152 24.469 -3.054 0.00 0.00 WAT1 ATOM 4601 H1 TIP3 1024 9.196 25.329 -3.473 0.00 0.00 WAT1 ATOM 4602 H2 TIP3 1024 8.695 23.917 -3.688 0.00 0.00 WAT1 ATOM 4603 OH2 TIP3 1025 10.928 28.416 -3.077 0.00 0.00 WAT1 ATOM 4604 H1 TIP3 1025 11.545 27.890 -2.567 0.00 0.00 WAT1 ATOM 4605 H2 TIP3 1025 10.343 27.776 -3.481 0.00 0.00 WAT1 ATOM 4606 OH2 TIP3 1026 7.963 23.387 1.019 0.00 0.00 WAT1 ATOM 4607 H1 TIP3 1026 7.744 23.917 0.253 0.00 0.00 WAT1 ATOM 4608 H2 TIP3 1026 7.295 23.614 1.667 0.00 0.00 WAT1 ATOM 4609 OH2 TIP3 1027 10.532 31.063 1.308 0.00 0.00 WAT1 ATOM 4610 H1 TIP3 1027 9.792 31.661 1.410 0.00 0.00 WAT1 ATOM 4611 H2 TIP3 1027 11.245 31.617 0.992 0.00 0.00 WAT1 ATOM 4612 OH2 TIP3 1028 7.557 25.279 -1.027 0.00 0.00 WAT1 ATOM 4613 H1 TIP3 1028 8.170 25.912 -0.654 0.00 0.00 WAT1 ATOM 4614 H2 TIP3 1028 8.069 24.807 -1.684 0.00 0.00 WAT1 ATOM 4615 OH2 TIP3 1029 19.782 32.568 3.201 0.00 0.00 WAT1 ATOM 4616 H1 TIP3 1029 19.922 31.977 2.462 0.00 0.00 WAT1 ATOM 4617 H2 TIP3 1029 19.951 33.441 2.845 0.00 0.00 WAT1 ATOM 4618 OH2 TIP3 1030 21.625 28.908 1.267 0.00 0.00 WAT1 ATOM 4619 H1 TIP3 1030 20.973 29.603 1.356 0.00 0.00 WAT1 ATOM 4620 H2 TIP3 1030 22.090 29.118 0.457 0.00 0.00 WAT1 ATOM 4621 OH2 TIP3 1031 17.662 29.740 -6.075 0.00 0.00 WAT1 ATOM 4622 H1 TIP3 1031 16.930 29.968 -5.502 0.00 0.00 WAT1 ATOM 4623 H2 TIP3 1031 18.108 29.026 -5.620 0.00 0.00 WAT1 ATOM 4624 OH2 TIP3 1032 9.674 29.139 -0.559 0.00 0.00 WAT1 ATOM 4625 H1 TIP3 1032 10.239 29.260 -1.322 0.00 0.00 WAT1 ATOM 4626 H2 TIP3 1032 9.992 29.776 0.079 0.00 0.00 WAT1 ATOM 4627 OH2 TIP3 1033 16.532 28.902 -8.390 0.00 0.00 WAT1 ATOM 4628 H1 TIP3 1033 17.111 29.052 -7.643 0.00 0.00 WAT1 ATOM 4629 H2 TIP3 1033 16.947 29.373 -9.114 0.00 0.00 WAT1 ATOM 4630 OH2 TIP3 1034 7.474 29.736 3.387 0.00 0.00 WAT1 ATOM 4631 H1 TIP3 1034 7.544 30.387 4.085 0.00 0.00 WAT1 ATOM 4632 H2 TIP3 1034 6.583 29.839 3.052 0.00 0.00 WAT1 ATOM 4633 OH2 TIP3 1035 18.010 29.935 -10.760 0.00 0.00 WAT1 ATOM 4634 H1 TIP3 1035 18.052 29.712 -11.691 0.00 0.00 WAT1 ATOM 4635 H2 TIP3 1035 18.858 30.333 -10.570 0.00 0.00 WAT1 ATOM 4636 OH2 TIP3 1036 13.583 23.811 -10.090 0.00 0.00 WAT1 ATOM 4637 H1 TIP3 1036 13.329 23.830 -9.168 0.00 0.00 WAT1 ATOM 4638 H2 TIP3 1036 13.325 22.939 -10.391 0.00 0.00 WAT1 ATOM 4639 OH2 TIP3 1037 9.349 26.562 0.345 0.00 0.00 WAT1 ATOM 4640 H1 TIP3 1037 8.707 26.521 1.054 0.00 0.00 WAT1 ATOM 4641 H2 TIP3 1037 9.386 27.488 0.107 0.00 0.00 WAT1 ATOM 4642 OH2 TIP3 1038 9.346 26.783 -4.742 0.00 0.00 WAT1 ATOM 4643 H1 TIP3 1038 8.453 26.442 -4.801 0.00 0.00 WAT1 ATOM 4644 H2 TIP3 1038 9.797 26.406 -5.498 0.00 0.00 WAT1 ATOM 4645 OH2 TIP3 1039 14.882 27.199 -5.925 0.00 0.00 WAT1 ATOM 4646 H1 TIP3 1039 14.473 28.014 -6.217 0.00 0.00 WAT1 ATOM 4647 H2 TIP3 1039 15.602 27.059 -6.540 0.00 0.00 WAT1 ATOM 4648 OH2 TIP3 1040 15.886 26.645 -3.111 0.00 0.00 WAT1 ATOM 4649 H1 TIP3 1040 15.691 27.250 -3.827 0.00 0.00 WAT1 ATOM 4650 H2 TIP3 1040 16.068 25.811 -3.546 0.00 0.00 WAT1 ATOM 4651 OH2 TIP3 1041 7.099 26.882 2.212 0.00 0.00 WAT1 ATOM 4652 H1 TIP3 1041 7.061 27.282 3.081 0.00 0.00 WAT1 ATOM 4653 H2 TIP3 1041 6.608 26.065 2.302 0.00 0.00 WAT1 ATOM 4654 OH2 TIP3 1042 3.707 23.998 -3.938 0.00 0.00 WAT1 ATOM 4655 H1 TIP3 1042 4.338 23.969 -3.218 0.00 0.00 WAT1 ATOM 4656 H2 TIP3 1042 4.157 23.573 -4.668 0.00 0.00 WAT1 ATOM 4657 OH2 TIP3 1043 4.982 24.744 -8.514 0.00 0.00 WAT1 ATOM 4658 H1 TIP3 1043 5.456 25.335 -9.098 0.00 0.00 WAT1 ATOM 4659 H2 TIP3 1043 4.264 25.275 -8.166 0.00 0.00 WAT1 ATOM 4660 OH2 TIP3 1044 15.149 28.283 1.559 0.00 0.00 WAT1 ATOM 4661 H1 TIP3 1044 15.474 27.652 0.917 0.00 0.00 WAT1 ATOM 4662 H2 TIP3 1044 14.710 27.748 2.220 0.00 0.00 WAT1 ATOM 4663 OH2 TIP3 1045 11.928 24.210 -3.656 0.00 0.00 WAT1 ATOM 4664 H1 TIP3 1045 11.017 24.267 -3.367 0.00 0.00 WAT1 ATOM 4665 H2 TIP3 1045 12.433 24.150 -2.845 0.00 0.00 WAT1 ATOM 4666 OH2 TIP3 1046 6.756 25.839 -4.829 0.00 0.00 WAT1 ATOM 4667 H1 TIP3 1046 5.867 25.939 -5.169 0.00 0.00 WAT1 ATOM 4668 H2 TIP3 1046 7.052 24.997 -5.175 0.00 0.00 WAT1 ATOM 4669 OH2 TIP3 1047 10.409 25.839 -7.174 0.00 0.00 WAT1 ATOM 4670 H1 TIP3 1047 11.341 25.968 -6.995 0.00 0.00 WAT1 ATOM 4671 H2 TIP3 1047 10.194 26.509 -7.822 0.00 0.00 WAT1 ATOM 4672 OH2 TIP3 1048 13.248 26.998 -1.769 0.00 0.00 WAT1 ATOM 4673 H1 TIP3 1048 13.812 26.451 -2.317 0.00 0.00 WAT1 ATOM 4674 H2 TIP3 1048 13.100 26.476 -0.980 0.00 0.00 WAT1 ATOM 4675 OH2 TIP3 1049 8.250 23.134 -5.351 0.00 0.00 WAT1 ATOM 4676 H1 TIP3 1049 7.933 22.232 -5.386 0.00 0.00 WAT1 ATOM 4677 H2 TIP3 1049 9.030 23.136 -5.903 0.00 0.00 WAT1 ATOM 4678 OH2 TIP3 1050 19.568 30.732 1.115 0.00 0.00 WAT1 ATOM 4679 H1 TIP3 1050 20.210 31.189 0.573 0.00 0.00 WAT1 ATOM 4680 H2 TIP3 1050 18.738 30.845 0.654 0.00 0.00 WAT1 ATOM 4681 OH2 TIP3 1051 16.316 24.413 -9.472 0.00 0.00 WAT1 ATOM 4682 H1 TIP3 1051 15.378 24.525 -9.623 0.00 0.00 WAT1 ATOM 4683 H2 TIP3 1051 16.613 25.270 -9.165 0.00 0.00 WAT1 ATOM 4684 OH2 TIP3 1052 13.938 31.783 3.567 0.00 0.00 WAT1 ATOM 4685 H1 TIP3 1052 13.591 31.402 4.373 0.00 0.00 WAT1 ATOM 4686 H2 TIP3 1052 13.738 32.717 3.637 0.00 0.00 WAT1 ATOM 4687 OH2 TIP3 1053 17.034 26.280 -7.810 0.00 0.00 WAT1 ATOM 4688 H1 TIP3 1053 17.925 26.143 -7.492 0.00 0.00 WAT1 ATOM 4689 H2 TIP3 1053 17.090 27.071 -8.348 0.00 0.00 WAT1 ATOM 4690 OH2 TIP3 1054 11.568 28.872 5.627 0.00 0.00 WAT1 ATOM 4691 H1 TIP3 1054 11.272 28.706 4.732 0.00 0.00 WAT1 ATOM 4692 H2 TIP3 1054 12.498 28.652 5.617 0.00 0.00 WAT1 ATOM 4693 OH2 TIP3 1055 17.375 30.084 -0.629 0.00 0.00 WAT1 ATOM 4694 H1 TIP3 1055 16.447 29.852 -0.656 0.00 0.00 WAT1 ATOM 4695 H2 TIP3 1055 17.826 29.307 -0.960 0.00 0.00 WAT1 ATOM 4696 OH2 TIP3 1056 15.404 32.323 1.095 0.00 0.00 WAT1 ATOM 4697 H1 TIP3 1056 14.978 32.096 1.921 0.00 0.00 WAT1 ATOM 4698 H2 TIP3 1056 15.985 31.585 0.913 0.00 0.00 WAT1 ATOM 4699 OH2 TIP3 1057 6.185 24.108 2.972 0.00 0.00 WAT1 ATOM 4700 H1 TIP3 1057 5.292 24.447 2.905 0.00 0.00 WAT1 ATOM 4701 H2 TIP3 1057 6.086 23.253 3.390 0.00 0.00 WAT1 ATOM 4702 OH2 TIP3 1058 12.904 25.229 -6.207 0.00 0.00 WAT1 ATOM 4703 H1 TIP3 1058 13.716 25.733 -6.161 0.00 0.00 WAT1 ATOM 4704 H2 TIP3 1058 12.659 25.084 -5.293 0.00 0.00 WAT1 ATOM 4705 OH2 TIP3 1059 13.788 22.310 -5.268 0.00 0.00 WAT1 ATOM 4706 H1 TIP3 1059 13.441 22.928 -4.623 0.00 0.00 WAT1 ATOM 4707 H2 TIP3 1059 14.446 22.811 -5.749 0.00 0.00 WAT1 ATOM 4708 OH2 TIP3 1060 9.445 23.373 -8.581 0.00 0.00 WAT1 ATOM 4709 H1 TIP3 1060 9.362 24.262 -8.235 0.00 0.00 WAT1 ATOM 4710 H2 TIP3 1060 10.335 23.108 -8.350 0.00 0.00 WAT1 ATOM 4711 OH2 TIP3 1061 11.609 31.580 6.146 0.00 0.00 WAT1 ATOM 4712 H1 TIP3 1061 11.280 31.851 5.289 0.00 0.00 WAT1 ATOM 4713 H2 TIP3 1061 11.761 30.639 6.059 0.00 0.00 WAT1 ATOM 4714 OH2 TIP3 1062 17.343 31.496 3.530 0.00 0.00 WAT1 ATOM 4715 H1 TIP3 1062 18.088 32.084 3.409 0.00 0.00 WAT1 ATOM 4716 H2 TIP3 1062 16.587 32.078 3.592 0.00 0.00 WAT1 ATOM 4717 OH2 TIP3 1063 9.733 27.819 3.507 0.00 0.00 WAT1 ATOM 4718 H1 TIP3 1063 9.115 28.494 3.789 0.00 0.00 WAT1 ATOM 4719 H2 TIP3 1063 10.077 28.140 2.674 0.00 0.00 WAT1 ATOM 4720 OH2 TIP3 1064 14.753 30.290 6.786 0.00 0.00 WAT1 ATOM 4721 H1 TIP3 1064 15.706 30.374 6.758 0.00 0.00 WAT1 ATOM 4722 H2 TIP3 1064 14.593 29.579 7.405 0.00 0.00 WAT1 ATOM 4723 OH2 TIP3 1065 20.904 30.524 -11.140 0.00 0.00 WAT1 ATOM 4724 H1 TIP3 1065 20.632 30.099 -11.954 0.00 0.00 WAT1 ATOM 4725 H2 TIP3 1065 20.945 31.455 -11.357 0.00 0.00 WAT1 ATOM 4726 OH2 TIP3 1066 12.067 28.983 2.323 0.00 0.00 WAT1 ATOM 4727 H1 TIP3 1066 12.818 28.827 1.749 0.00 0.00 WAT1 ATOM 4728 H2 TIP3 1066 11.728 29.835 2.047 0.00 0.00 WAT1 ATOM 4729 OH2 TIP3 1067 17.799 29.587 5.428 0.00 0.00 WAT1 ATOM 4730 H1 TIP3 1067 17.518 30.296 4.851 0.00 0.00 WAT1 ATOM 4731 H2 TIP3 1067 18.742 29.514 5.277 0.00 0.00 WAT1 ATOM 4732 OH2 TIP3 1068 8.550 26.372 6.502 0.00 0.00 WAT1 ATOM 4733 H1 TIP3 1068 7.784 25.840 6.292 0.00 0.00 WAT1 ATOM 4734 H2 TIP3 1068 9.230 26.062 5.902 0.00 0.00 WAT1 ATOM 4735 OH2 TIP3 1069 6.732 24.293 6.207 0.00 0.00 WAT1 ATOM 4736 H1 TIP3 1069 6.943 23.586 5.595 0.00 0.00 WAT1 ATOM 4737 H2 TIP3 1069 6.620 23.855 7.051 0.00 0.00 WAT1 ATOM 4738 OH2 TIP3 1070 21.364 31.393 -7.165 0.00 0.00 WAT1 ATOM 4739 H1 TIP3 1070 22.214 31.814 -7.037 0.00 0.00 WAT1 ATOM 4740 H2 TIP3 1070 21.369 30.653 -6.557 0.00 0.00 WAT1 ATOM 4741 OH2 TIP3 1071 21.758 29.446 -5.341 0.00 0.00 WAT1 ATOM 4742 H1 TIP3 1071 21.032 28.967 -4.944 0.00 0.00 WAT1 ATOM 4743 H2 TIP3 1071 22.339 29.652 -4.610 0.00 0.00 WAT1 ATOM 4744 OH2 TIP3 1072 22.026 29.347 -8.950 0.00 0.00 WAT1 ATOM 4745 H1 TIP3 1072 21.505 29.704 -9.669 0.00 0.00 WAT1 ATOM 4746 H2 TIP3 1072 21.992 30.022 -8.272 0.00 0.00 WAT1 ATOM 4747 OH2 TIP3 1073 19.544 27.967 -4.778 0.00 0.00 WAT1 ATOM 4748 H1 TIP3 1073 19.395 27.022 -4.798 0.00 0.00 WAT1 ATOM 4749 H2 TIP3 1073 19.191 28.248 -3.934 0.00 0.00 WAT1 ATOM 4750 OH2 TIP3 1074 20.401 29.937 4.861 0.00 0.00 WAT1 ATOM 4751 H1 TIP3 1074 20.983 29.203 5.052 0.00 0.00 WAT1 ATOM 4752 H2 TIP3 1074 20.965 30.709 4.906 0.00 0.00 WAT1 ATOM 4753 OH2 TIP3 1075 21.898 27.840 5.544 0.00 0.00 WAT1 ATOM 4754 H1 TIP3 1075 21.035 27.461 5.380 0.00 0.00 WAT1 ATOM 4755 H2 TIP3 1075 22.502 27.101 5.470 0.00 0.00 WAT1 ATOM 4756 OH2 TIP3 1076 19.623 23.995 -11.282 0.00 0.00 WAT1 ATOM 4757 H1 TIP3 1076 20.233 23.623 -10.646 0.00 0.00 WAT1 ATOM 4758 H2 TIP3 1076 18.785 23.573 -11.086 0.00 0.00 WAT1 ATOM 4759 OH2 TIP3 1077 22.178 20.848 7.250 0.00 0.00 WAT1 ATOM 4760 H1 TIP3 1077 22.529 20.194 6.644 0.00 0.00 WAT1 ATOM 4761 H2 TIP3 1077 22.325 21.685 6.809 0.00 0.00 WAT1 ATOM 4762 OH2 TIP3 1078 5.399 23.628 -1.736 0.00 0.00 WAT1 ATOM 4763 H1 TIP3 1078 5.844 22.836 -1.434 0.00 0.00 WAT1 ATOM 4764 H2 TIP3 1078 5.865 24.344 -1.305 0.00 0.00 WAT1 ATOM 4765 OH2 TIP3 1079 4.016 22.885 -6.613 0.00 0.00 WAT1 ATOM 4766 H1 TIP3 1079 3.091 23.094 -6.742 0.00 0.00 WAT1 ATOM 4767 H2 TIP3 1079 4.470 23.369 -7.303 0.00 0.00 WAT1 ATOM 4768 OH2 TIP3 1080 3.980 21.623 1.732 0.00 0.00 WAT1 ATOM 4769 H1 TIP3 1080 3.315 21.377 2.374 0.00 0.00 WAT1 ATOM 4770 H2 TIP3 1080 3.537 22.245 1.155 0.00 0.00 WAT1 ATOM 4771 OH2 TIP3 1081 6.456 21.130 -4.438 0.00 0.00 WAT1 ATOM 4772 H1 TIP3 1081 5.679 20.896 -4.946 0.00 0.00 WAT1 ATOM 4773 H2 TIP3 1081 6.987 20.333 -4.429 0.00 0.00 WAT1 ATOM 4774 OH2 TIP3 1082 5.293 20.928 -8.634 0.00 0.00 WAT1 ATOM 4775 H1 TIP3 1082 5.732 21.539 -9.226 0.00 0.00 WAT1 ATOM 4776 H2 TIP3 1082 4.659 21.466 -8.161 0.00 0.00 WAT1 ATOM 4777 OH2 TIP3 1083 7.154 22.844 -10.191 0.00 0.00 WAT1 ATOM 4778 H1 TIP3 1083 7.645 22.214 -10.720 0.00 0.00 WAT1 ATOM 4779 H2 TIP3 1083 7.777 23.140 -9.528 0.00 0.00 WAT1 ATOM 4780 OH2 TIP3 1084 12.180 23.137 -7.735 0.00 0.00 WAT1 ATOM 4781 H1 TIP3 1084 12.357 22.491 -7.052 0.00 0.00 WAT1 ATOM 4782 H2 TIP3 1084 12.126 23.971 -7.268 0.00 0.00 WAT1 ATOM 4783 OH2 TIP3 1085 6.414 21.644 5.079 0.00 0.00 WAT1 ATOM 4784 H1 TIP3 1085 6.048 20.879 5.523 0.00 0.00 WAT1 ATOM 4785 H2 TIP3 1085 7.327 21.673 5.367 0.00 0.00 WAT1 ATOM 4786 OH2 TIP3 1086 8.387 20.995 6.616 0.00 0.00 WAT1 ATOM 4787 H1 TIP3 1086 9.286 20.721 6.431 0.00 0.00 WAT1 ATOM 4788 H2 TIP3 1086 8.001 20.252 7.080 0.00 0.00 WAT1 ATOM 4789 OH2 TIP3 1087 14.309 27.988 8.867 0.00 0.00 WAT1 ATOM 4790 H1 TIP3 1087 15.011 28.010 9.518 0.00 0.00 WAT1 ATOM 4791 H2 TIP3 1087 14.612 27.360 8.212 0.00 0.00 WAT1 ATOM 4792 OH2 TIP3 1088 16.532 28.902 10.466 0.00 0.00 WAT1 ATOM 4793 H1 TIP3 1088 17.111 29.052 11.213 0.00 0.00 WAT1 ATOM 4794 H2 TIP3 1088 16.947 29.373 9.742 0.00 0.00 WAT1 ATOM 4795 OH2 TIP3 1089 20.230 20.652 10.279 0.00 0.00 WAT1 ATOM 4796 H1 TIP3 1089 19.332 20.791 10.573 0.00 0.00 WAT1 ATOM 4797 H2 TIP3 1089 20.483 21.483 9.877 0.00 0.00 WAT1 ATOM 4798 OH2 TIP3 1090 18.010 29.935 8.096 0.00 0.00 WAT1 ATOM 4799 H1 TIP3 1090 18.052 29.712 7.165 0.00 0.00 WAT1 ATOM 4800 H2 TIP3 1090 18.858 30.333 8.286 0.00 0.00 WAT1 ATOM 4801 OH2 TIP3 1091 13.583 23.811 8.766 0.00 0.00 WAT1 ATOM 4802 H1 TIP3 1091 13.329 23.830 9.689 0.00 0.00 WAT1 ATOM 4803 H2 TIP3 1091 13.325 22.939 8.465 0.00 0.00 WAT1 ATOM 4804 OH2 TIP3 1092 10.465 24.256 7.867 0.00 0.00 WAT1 ATOM 4805 H1 TIP3 1092 10.034 23.811 8.597 0.00 0.00 WAT1 ATOM 4806 H2 TIP3 1092 9.747 24.628 7.354 0.00 0.00 WAT1 ATOM 4807 OH2 TIP3 1093 9.083 27.034 9.250 0.00 0.00 WAT1 ATOM 4808 H1 TIP3 1093 8.541 26.654 8.559 0.00 0.00 WAT1 ATOM 4809 H2 TIP3 1093 9.917 27.228 8.821 0.00 0.00 WAT1 ATOM 4810 OH2 TIP3 1094 16.316 24.413 9.384 0.00 0.00 WAT1 ATOM 4811 H1 TIP3 1094 15.378 24.525 9.233 0.00 0.00 WAT1 ATOM 4812 H2 TIP3 1094 16.613 25.270 9.691 0.00 0.00 WAT1 ATOM 4813 OH2 TIP3 1095 17.034 26.280 11.046 0.00 0.00 WAT1 ATOM 4814 H1 TIP3 1095 17.925 26.143 11.364 0.00 0.00 WAT1 ATOM 4815 H2 TIP3 1095 17.090 27.071 10.509 0.00 0.00 WAT1 ATOM 4816 OH2 TIP3 1096 21.919 26.490 10.739 0.00 0.00 WAT1 ATOM 4817 H1 TIP3 1096 21.364 26.094 10.068 0.00 0.00 WAT1 ATOM 4818 H2 TIP3 1096 22.020 27.400 10.463 0.00 0.00 WAT1 ATOM 4819 OH2 TIP3 1097 15.704 23.501 11.815 0.00 0.00 WAT1 ATOM 4820 H1 TIP3 1097 15.924 23.973 11.012 0.00 0.00 WAT1 ATOM 4821 H2 TIP3 1097 16.262 23.896 12.486 0.00 0.00 WAT1 ATOM 4822 OH2 TIP3 1098 9.445 23.373 10.276 0.00 0.00 WAT1 ATOM 4823 H1 TIP3 1098 9.362 24.262 10.622 0.00 0.00 WAT1 ATOM 4824 H2 TIP3 1098 10.335 23.108 10.506 0.00 0.00 WAT1 ATOM 4825 OH2 TIP3 1099 11.514 28.169 8.271 0.00 0.00 WAT1 ATOM 4826 H1 TIP3 1099 11.335 28.015 7.343 0.00 0.00 WAT1 ATOM 4827 H2 TIP3 1099 12.466 28.277 8.315 0.00 0.00 WAT1 ATOM 4828 OH2 TIP3 1100 20.904 30.524 7.716 0.00 0.00 WAT1 ATOM 4829 H1 TIP3 1100 20.632 30.099 6.902 0.00 0.00 WAT1 ATOM 4830 H2 TIP3 1100 20.945 31.455 7.498 0.00 0.00 WAT1 ATOM 4831 OH2 TIP3 1101 20.375 26.587 8.457 0.00 0.00 WAT1 ATOM 4832 H1 TIP3 1101 20.471 27.254 7.777 0.00 0.00 WAT1 ATOM 4833 H2 TIP3 1101 20.235 25.771 7.975 0.00 0.00 WAT1 ATOM 4834 OH2 TIP3 1102 19.255 25.550 12.540 0.00 0.00 WAT1 ATOM 4835 H1 TIP3 1102 19.535 24.643 12.665 0.00 0.00 WAT1 ATOM 4836 H2 TIP3 1102 20.014 25.984 12.151 0.00 0.00 WAT1 ATOM 4837 OH2 TIP3 1103 19.869 22.813 12.588 0.00 0.00 WAT1 ATOM 4838 H1 TIP3 1103 20.050 22.364 13.414 0.00 0.00 WAT1 ATOM 4839 H2 TIP3 1103 19.268 22.228 12.125 0.00 0.00 WAT1 ATOM 4840 OH2 TIP3 1104 21.735 22.880 9.117 0.00 0.00 WAT1 ATOM 4841 H1 TIP3 1104 22.148 22.159 8.641 0.00 0.00 WAT1 ATOM 4842 H2 TIP3 1104 22.416 23.550 9.175 0.00 0.00 WAT1 ATOM 4843 OH2 TIP3 1105 17.946 21.113 11.573 0.00 0.00 WAT1 ATOM 4844 H1 TIP3 1105 17.242 21.727 11.364 0.00 0.00 WAT1 ATOM 4845 H2 TIP3 1105 17.501 20.275 11.704 0.00 0.00 WAT1 ATOM 4846 OH2 TIP3 1106 7.154 22.844 8.665 0.00 0.00 WAT1 ATOM 4847 H1 TIP3 1106 7.645 22.214 8.136 0.00 0.00 WAT1 ATOM 4848 H2 TIP3 1106 7.777 23.140 9.328 0.00 0.00 WAT1 ATOM 4849 OH2 TIP3 1107 12.180 23.137 11.122 0.00 0.00 WAT1 ATOM 4850 H1 TIP3 1107 12.357 22.491 11.805 0.00 0.00 WAT1 ATOM 4851 H2 TIP3 1107 12.126 23.971 11.588 0.00 0.00 WAT1 ATOM 4852 OH2 TIP3 1108 23.902 18.944 -13.096 0.00 0.00 WAT1 ATOM 4853 H1 TIP3 1108 24.443 18.727 -12.337 0.00 0.00 WAT1 ATOM 4854 H2 TIP3 1108 23.422 18.138 -13.287 0.00 0.00 WAT1 ATOM 4855 OH2 TIP3 1109 23.936 10.572 -3.413 0.00 0.00 WAT1 ATOM 4856 H1 TIP3 1109 24.149 9.802 -2.886 0.00 0.00 WAT1 ATOM 4857 H2 TIP3 1109 24.674 10.661 -4.016 0.00 0.00 WAT1 ATOM 4858 OH2 TIP3 1110 23.916 13.842 -7.123 0.00 0.00 WAT1 ATOM 4859 H1 TIP3 1110 23.645 14.071 -8.012 0.00 0.00 WAT1 ATOM 4860 H2 TIP3 1110 23.962 14.680 -6.663 0.00 0.00 WAT1 ATOM 4861 OH2 TIP3 1111 23.245 12.947 2.212 0.00 0.00 WAT1 ATOM 4862 H1 TIP3 1111 22.745 12.919 1.397 0.00 0.00 WAT1 ATOM 4863 H2 TIP3 1111 23.252 12.041 2.522 0.00 0.00 WAT1 ATOM 4864 OH2 TIP3 1112 22.997 15.727 -0.904 0.00 0.00 WAT1 ATOM 4865 H1 TIP3 1112 23.943 15.583 -0.923 0.00 0.00 WAT1 ATOM 4866 H2 TIP3 1112 22.883 16.511 -0.367 0.00 0.00 WAT1 ATOM 4867 OH2 TIP3 1113 26.241 18.528 -4.760 0.00 0.00 WAT1 ATOM 4868 H1 TIP3 1113 26.393 18.180 -3.880 0.00 0.00 WAT1 ATOM 4869 H2 TIP3 1113 25.390 18.172 -5.014 0.00 0.00 WAT1 ATOM 4870 OH2 TIP3 1114 24.692 17.057 1.406 0.00 0.00 WAT1 ATOM 4871 H1 TIP3 1114 24.909 16.125 1.376 0.00 0.00 WAT1 ATOM 4872 H2 TIP3 1114 24.939 17.331 2.291 0.00 0.00 WAT1 ATOM 4873 OH2 TIP3 1115 24.614 16.331 -5.571 0.00 0.00 WAT1 ATOM 4874 H1 TIP3 1115 23.782 16.804 -5.543 0.00 0.00 WAT1 ATOM 4875 H2 TIP3 1115 25.160 16.841 -6.169 0.00 0.00 WAT1 ATOM 4876 OH2 TIP3 1116 23.902 18.944 5.759 0.00 0.00 WAT1 ATOM 4877 H1 TIP3 1116 24.443 18.727 6.519 0.00 0.00 WAT1 ATOM 4878 H2 TIP3 1116 23.422 18.138 5.569 0.00 0.00 WAT1 ATOM 4879 OH2 TIP3 1117 23.355 18.114 -3.220 0.00 0.00 WAT1 ATOM 4880 H1 TIP3 1117 23.022 17.233 -3.047 0.00 0.00 WAT1 ATOM 4881 H2 TIP3 1117 23.578 18.459 -2.356 0.00 0.00 WAT1 ATOM 4882 OH2 TIP3 1118 23.436 11.189 -0.768 0.00 0.00 WAT1 ATOM 4883 H1 TIP3 1118 23.620 11.107 -1.704 0.00 0.00 WAT1 ATOM 4884 H2 TIP3 1118 24.285 11.065 -0.345 0.00 0.00 WAT1 ATOM 4885 OH2 TIP3 1119 25.384 20.173 2.182 0.00 0.00 WAT1 ATOM 4886 H1 TIP3 1119 24.663 20.613 1.731 0.00 0.00 WAT1 ATOM 4887 H2 TIP3 1119 25.018 19.922 3.031 0.00 0.00 WAT1 ATOM 4888 OH2 TIP3 1120 24.799 18.796 -0.907 0.00 0.00 WAT1 ATOM 4889 H1 TIP3 1120 24.779 18.371 -0.050 0.00 0.00 WAT1 ATOM 4890 H2 TIP3 1120 25.604 18.478 -1.317 0.00 0.00 WAT1 ATOM 4891 OH2 TIP3 1121 24.050 18.020 -7.736 0.00 0.00 WAT1 ATOM 4892 H1 TIP3 1121 23.364 17.982 -8.405 0.00 0.00 WAT1 ATOM 4893 H2 TIP3 1121 24.053 18.933 -7.448 0.00 0.00 WAT1 ATOM 4894 OH2 TIP3 1122 25.867 18.940 -10.711 0.00 0.00 WAT1 ATOM 4895 H1 TIP3 1122 25.599 19.227 -9.838 0.00 0.00 WAT1 ATOM 4896 H2 TIP3 1122 26.639 18.394 -10.559 0.00 0.00 WAT1 ATOM 4897 OH2 TIP3 1123 23.809 31.610 -12.143 0.00 0.00 WAT1 ATOM 4898 H1 TIP3 1123 23.954 30.708 -12.428 0.00 0.00 WAT1 ATOM 4899 H2 TIP3 1123 23.037 31.896 -12.630 0.00 0.00 WAT1 ATOM 4900 OH2 TIP3 1124 24.642 28.810 -12.723 0.00 0.00 WAT1 ATOM 4901 H1 TIP3 1124 25.050 27.953 -12.843 0.00 0.00 WAT1 ATOM 4902 H2 TIP3 1124 24.382 28.825 -11.801 0.00 0.00 WAT1 ATOM 4903 OH2 TIP3 1125 27.407 26.372 -12.354 0.00 0.00 WAT1 ATOM 4904 H1 TIP3 1125 26.640 25.840 -12.564 0.00 0.00 WAT1 ATOM 4905 H2 TIP3 1125 28.085 26.062 -12.953 0.00 0.00 WAT1 ATOM 4906 OH2 TIP3 1126 25.587 24.293 -12.649 0.00 0.00 WAT1 ATOM 4907 H1 TIP3 1126 25.799 23.586 -13.261 0.00 0.00 WAT1 ATOM 4908 H2 TIP3 1126 25.476 23.855 -11.805 0.00 0.00 WAT1 ATOM 4909 OH2 TIP3 1127 23.034 25.316 -13.483 0.00 0.00 WAT1 ATOM 4910 H1 TIP3 1127 23.953 25.194 -13.247 0.00 0.00 WAT1 ATOM 4911 H2 TIP3 1127 22.584 24.566 -13.095 0.00 0.00 WAT1 ATOM 4912 OH2 TIP3 1128 25.270 21.644 -13.776 0.00 0.00 WAT1 ATOM 4913 H1 TIP3 1128 24.904 20.879 -13.333 0.00 0.00 WAT1 ATOM 4914 H2 TIP3 1128 26.183 21.673 -13.489 0.00 0.00 WAT1 ATOM 4915 OH2 TIP3 1129 27.242 20.995 -12.240 0.00 0.00 WAT1 ATOM 4916 H1 TIP3 1129 28.142 20.721 -12.425 0.00 0.00 WAT1 ATOM 4917 H2 TIP3 1129 26.857 20.252 -11.776 0.00 0.00 WAT1 ATOM 4918 OH2 TIP3 1130 23.936 29.428 -3.413 0.00 0.00 WAT1 ATOM 4919 H1 TIP3 1130 24.149 28.658 -2.886 0.00 0.00 WAT1 ATOM 4920 H2 TIP3 1130 24.674 29.517 -4.016 0.00 0.00 WAT1 ATOM 4921 OH2 TIP3 1131 28.009 24.469 -3.054 0.00 0.00 WAT1 ATOM 4922 H1 TIP3 1131 28.052 25.329 -3.473 0.00 0.00 WAT1 ATOM 4923 H2 TIP3 1131 27.550 23.917 -3.688 0.00 0.00 WAT1 ATOM 4924 OH2 TIP3 1132 24.629 26.866 -2.292 0.00 0.00 WAT1 ATOM 4925 H1 TIP3 1132 25.282 26.316 -1.861 0.00 0.00 WAT1 ATOM 4926 H2 TIP3 1132 24.652 26.592 -3.208 0.00 0.00 WAT1 ATOM 4927 OH2 TIP3 1133 26.819 23.387 1.019 0.00 0.00 WAT1 ATOM 4928 H1 TIP3 1133 26.599 23.917 0.253 0.00 0.00 WAT1 ATOM 4929 H2 TIP3 1133 26.151 23.614 1.667 0.00 0.00 WAT1 ATOM 4930 OH2 TIP3 1134 26.413 25.279 -1.027 0.00 0.00 WAT1 ATOM 4931 H1 TIP3 1134 27.026 25.912 -0.654 0.00 0.00 WAT1 ATOM 4932 H2 TIP3 1134 26.925 24.807 -1.684 0.00 0.00 WAT1 ATOM 4933 OH2 TIP3 1135 23.916 32.698 -7.123 0.00 0.00 WAT1 ATOM 4934 H1 TIP3 1135 23.645 32.927 -8.012 0.00 0.00 WAT1 ATOM 4935 H2 TIP3 1135 23.962 33.536 -6.663 0.00 0.00 WAT1 ATOM 4936 OH2 TIP3 1136 27.152 29.440 -6.604 0.00 0.00 WAT1 ATOM 4937 H1 TIP3 1136 26.861 30.208 -7.095 0.00 0.00 WAT1 ATOM 4938 H2 TIP3 1136 26.479 28.780 -6.767 0.00 0.00 WAT1 ATOM 4939 OH2 TIP3 1137 28.201 26.783 -4.742 0.00 0.00 WAT1 ATOM 4940 H1 TIP3 1137 27.309 26.442 -4.801 0.00 0.00 WAT1 ATOM 4941 H2 TIP3 1137 28.652 26.406 -5.498 0.00 0.00 WAT1 ATOM 4942 OH2 TIP3 1138 25.954 26.882 2.212 0.00 0.00 WAT1 ATOM 4943 H1 TIP3 1138 25.916 27.282 3.081 0.00 0.00 WAT1 ATOM 4944 H2 TIP3 1138 25.463 26.065 2.302 0.00 0.00 WAT1 ATOM 4945 OH2 TIP3 1139 29.320 24.256 -10.989 0.00 0.00 WAT1 ATOM 4946 H1 TIP3 1139 28.890 23.811 -10.259 0.00 0.00 WAT1 ATOM 4947 H2 TIP3 1139 28.602 24.628 -11.502 0.00 0.00 WAT1 ATOM 4948 OH2 TIP3 1140 29.265 25.839 -7.174 0.00 0.00 WAT1 ATOM 4949 H1 TIP3 1140 30.197 25.968 -6.995 0.00 0.00 WAT1 ATOM 4950 H2 TIP3 1140 29.050 26.509 -7.822 0.00 0.00 WAT1 ATOM 4951 OH2 TIP3 1141 27.939 27.034 -9.607 0.00 0.00 WAT1 ATOM 4952 H1 TIP3 1141 27.396 26.654 -10.297 0.00 0.00 WAT1 ATOM 4953 H2 TIP3 1141 28.773 27.228 -10.035 0.00 0.00 WAT1 ATOM 4954 OH2 TIP3 1142 27.105 23.134 -5.351 0.00 0.00 WAT1 ATOM 4955 H1 TIP3 1142 26.788 22.232 -5.386 0.00 0.00 WAT1 ATOM 4956 H2 TIP3 1142 27.887 23.136 -5.903 0.00 0.00 WAT1 ATOM 4957 OH2 TIP3 1143 23.407 29.355 3.414 0.00 0.00 WAT1 ATOM 4958 H1 TIP3 1143 23.630 28.937 4.245 0.00 0.00 WAT1 ATOM 4959 H2 TIP3 1143 22.805 28.742 2.991 0.00 0.00 WAT1 ATOM 4960 OH2 TIP3 1144 24.529 29.274 -9.909 0.00 0.00 WAT1 ATOM 4961 H1 TIP3 1144 25.145 29.901 -9.530 0.00 0.00 WAT1 ATOM 4962 H2 TIP3 1144 23.666 29.590 -9.639 0.00 0.00 WAT1 ATOM 4963 OH2 TIP3 1145 25.041 24.108 2.972 0.00 0.00 WAT1 ATOM 4964 H1 TIP3 1145 24.148 24.447 2.905 0.00 0.00 WAT1 ATOM 4965 H2 TIP3 1145 24.942 23.253 3.390 0.00 0.00 WAT1 ATOM 4966 OH2 TIP3 1146 25.944 31.187 -8.418 0.00 0.00 WAT1 ATOM 4967 H1 TIP3 1146 25.258 31.539 -7.851 0.00 0.00 WAT1 ATOM 4968 H2 TIP3 1146 26.466 31.950 -8.663 0.00 0.00 WAT1 ATOM 4969 OH2 TIP3 1147 28.300 23.373 -8.581 0.00 0.00 WAT1 ATOM 4970 H1 TIP3 1147 28.218 24.262 -8.235 0.00 0.00 WAT1 ATOM 4971 H2 TIP3 1147 29.191 23.108 -8.350 0.00 0.00 WAT1 ATOM 4972 OH2 TIP3 1148 25.684 21.247 -1.732 0.00 0.00 WAT1 ATOM 4973 H1 TIP3 1148 25.454 21.306 -2.659 0.00 0.00 WAT1 ATOM 4974 H2 TIP3 1148 25.241 20.455 -1.425 0.00 0.00 WAT1 ATOM 4975 OH2 TIP3 1149 29.300 29.926 -8.848 0.00 0.00 WAT1 ATOM 4976 H1 TIP3 1149 28.840 29.442 -8.162 0.00 0.00 WAT1 ATOM 4977 H2 TIP3 1149 29.555 29.258 -9.485 0.00 0.00 WAT1 ATOM 4978 OH2 TIP3 1150 25.587 24.293 6.207 0.00 0.00 WAT1 ATOM 4979 H1 TIP3 1150 25.799 23.586 5.595 0.00 0.00 WAT1 ATOM 4980 H2 TIP3 1150 25.476 23.855 7.051 0.00 0.00 WAT1 ATOM 4981 OH2 TIP3 1151 23.436 30.045 -0.768 0.00 0.00 WAT1 ATOM 4982 H1 TIP3 1151 23.620 29.963 -1.704 0.00 0.00 WAT1 ATOM 4983 H2 TIP3 1151 24.285 29.921 -0.345 0.00 0.00 WAT1 ATOM 4984 OH2 TIP3 1152 23.034 25.316 5.373 0.00 0.00 WAT1 ATOM 4985 H1 TIP3 1152 23.953 25.194 5.608 0.00 0.00 WAT1 ATOM 4986 H2 TIP3 1152 22.584 24.566 5.761 0.00 0.00 WAT1 ATOM 4987 OH2 TIP3 1153 24.255 23.628 -1.736 0.00 0.00 WAT1 ATOM 4988 H1 TIP3 1153 24.700 22.836 -1.434 0.00 0.00 WAT1 ATOM 4989 H2 TIP3 1153 24.721 24.344 -1.305 0.00 0.00 WAT1 ATOM 4990 OH2 TIP3 1154 22.559 26.627 -0.667 0.00 0.00 WAT1 ATOM 4991 H1 TIP3 1154 23.050 26.406 -1.458 0.00 0.00 WAT1 ATOM 4992 H2 TIP3 1154 22.921 27.468 -0.386 0.00 0.00 WAT1 ATOM 4993 OH2 TIP3 1155 22.836 21.623 1.732 0.00 0.00 WAT1 ATOM 4994 H1 TIP3 1155 22.171 21.377 2.374 0.00 0.00 WAT1 ATOM 4995 H2 TIP3 1155 22.392 22.245 1.155 0.00 0.00 WAT1 ATOM 4996 OH2 TIP3 1156 25.312 21.130 -4.438 0.00 0.00 WAT1 ATOM 4997 H1 TIP3 1156 24.535 20.896 -4.946 0.00 0.00 WAT1 ATOM 4998 H2 TIP3 1156 25.843 20.333 -4.429 0.00 0.00 WAT1 ATOM 4999 OH2 TIP3 1157 24.148 20.928 -8.634 0.00 0.00 WAT1 ATOM 5000 H1 TIP3 1157 24.587 21.539 -9.226 0.00 0.00 WAT1 ATOM 5001 H2 TIP3 1157 23.514 21.466 -8.161 0.00 0.00 WAT1 ATOM 5002 OH2 TIP3 1158 26.010 22.844 -10.191 0.00 0.00 WAT1 ATOM 5003 H1 TIP3 1158 26.501 22.214 -10.720 0.00 0.00 WAT1 ATOM 5004 H2 TIP3 1158 26.633 23.140 -9.528 0.00 0.00 WAT1 ATOM 5005 OH2 TIP3 1159 25.270 21.644 5.079 0.00 0.00 WAT1 ATOM 5006 H1 TIP3 1159 24.904 20.879 5.523 0.00 0.00 WAT1 ATOM 5007 H2 TIP3 1159 26.183 21.673 5.367 0.00 0.00 WAT1 ATOM 5008 OH2 TIP3 1160 23.837 24.744 10.343 0.00 0.00 WAT1 ATOM 5009 H1 TIP3 1160 24.312 25.335 9.758 0.00 0.00 WAT1 ATOM 5010 H2 TIP3 1160 23.120 25.275 10.690 0.00 0.00 WAT1 ATOM 5011 OH2 TIP3 1161 24.876 26.465 8.452 0.00 0.00 WAT1 ATOM 5012 H1 TIP3 1161 24.831 27.404 8.630 0.00 0.00 WAT1 ATOM 5013 H2 TIP3 1161 23.988 26.229 8.181 0.00 0.00 WAT1 END