REMARK FILENAME="/farm/data/gliu/projects/HR3102A/cns/calc7f1a_hb/refinedPDB_" REMARK ***** CHARMM water box from Charlie Brooks. ******** REMARK * This is a box of 216 3-site water molecules in the experimental REMARK * geometry. It was constructed from an equilibrated REMARK * configuration of TIP3P (3-site water model of Jorgenson) REMARK * waters at 1 atm pressure and a density of 0.0334 molecules/A**-3. REMARK * The box edgelength is 18.856 A. The minimum image periodic REMARK * boundary energy for this configuration using the TIP3P REMARK * potentials is -2150.6833 kcal/mol. REMARK DATE:17-Dec-2009 14:30:09 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 -23.142 -9.882 0.313 1.00 72.21 ATOM 2 CB MET 1 -23.571 -8.624 2.001 1.00 64.54 ATOM 3 HB1 MET 1 -23.099 -7.745 2.423 1.00 38.69 ATOM 4 HB2 MET 1 -23.821 -9.292 2.817 1.00 62.32 ATOM 5 CG MET 1 -24.855 -8.182 1.318 1.00 21.12 ATOM 6 HG1 MET 1 -24.630 -7.849 0.312 1.00 38.69 ATOM 7 HG2 MET 1 -25.264 -7.353 1.876 1.00 52.43 ATOM 8 SD MET 1 -26.083 -9.499 1.228 1.00 62.30 ATOM 9 CE MET 1 -27.470 -8.727 2.057 1.00 4.34 ATOM 10 HE1 MET 1 -27.756 -7.833 1.523 1.00 64.23 ATOM 11 HE2 MET 1 -27.187 -8.469 3.067 1.00 35.34 ATOM 12 HE3 MET 1 -28.303 -9.414 2.081 1.00 2.32 ATOM 13 C MET 1 -21.715 -8.299 0.355 1.00 70.15 ATOM 14 O MET 1 -21.960 -7.949 -0.799 1.00 12.40 ATOM 15 N MET 1 -21.774 -10.283 1.803 1.00 32.15 ATOM 16 HT1 MET 1 -22.374 -11.050 2.173 1.00 38.69 ATOM 17 HT2 MET 1 -21.295 -9.827 2.607 1.00 38.69 ATOM 18 HT3 MET 1 -21.052 -10.707 1.182 1.00 38.69 ATOM 19 CA MET 1 -22.590 -9.329 1.061 1.00 33.31 ATOM 20 N GLY 2 -20.693 -7.817 1.055 1.00 2.01 ATOM 21 HN GLY 2 -20.544 -8.101 1.980 1.00 38.69 ATOM 22 CA GLY 2 -19.797 -6.831 0.478 1.00 34.33 ATOM 23 HA1 GLY 2 -19.217 -6.391 1.277 1.00 38.69 ATOM 24 HA2 GLY 2 -20.379 -6.048 0.005 1.00 41.22 ATOM 25 C GLY 2 -18.858 -7.432 -0.548 1.00 61.14 ATOM 26 O GLY 2 -19.289 -8.158 -1.445 1.00 25.42 ATOM 27 N HIS 3 -17.570 -7.128 -0.420 1.00 13.22 ATOM 28 HN HIS 3 -17.281 -6.528 0.308 1.00 38.69 ATOM 29 CA HIS 3 -16.567 -7.642 -1.345 1.00 70.31 ATOM 30 HA HIS 3 -16.938 -8.563 -1.781 1.00 61.31 ATOM 31 CB HIS 3 -16.321 -6.639 -2.473 1.00 23.44 ATOM 32 HB1 HIS 3 -17.261 -6.420 -2.958 1.00 38.69 ATOM 33 HB2 HIS 3 -15.644 -7.073 -3.196 1.00 33.35 ATOM 34 CG HIS 3 -15.733 -5.344 -2.004 1.00 64.12 ATOM 35 ND1 HIS 3 -16.486 -4.336 -1.440 1.00 44.02 ATOM 36 HD1 HIS 3 -17.454 -4.359 -1.291 1.00 23.14 ATOM 37 CD2 HIS 3 -14.455 -4.896 -2.017 1.00 15.31 ATOM 38 HD2 HIS 3 -13.592 -5.430 -2.390 1.00 61.24 ATOM 39 CE1 HIS 3 -15.697 -3.323 -1.128 1.00 14.21 ATOM 40 HE1 HIS 3 -16.011 -2.396 -0.672 1.00 74.42 ATOM 41 NE2 HIS 3 -14.460 -3.637 -1.467 1.00 73.32 ATOM 42 HE2 HIS 3 -13.665 -3.104 -1.258 1.00 38.69 ATOM 43 C HIS 3 -15.259 -7.940 -0.618 1.00 51.30 ATOM 44 O HIS 3 -14.726 -7.089 0.096 1.00 74.32 ATOM 45 N HIS 4 -14.747 -9.152 -0.803 1.00 61.35 ATOM 46 HN HIS 4 -15.211 -9.776 -1.409 1.00 38.69 ATOM 47 CA HIS 4 -13.501 -9.562 -0.165 1.00 11.21 ATOM 48 HA HIS 4 -13.650 -9.516 0.907 1.00 52.42 ATOM 49 CB HIS 4 -13.157 -11.002 -0.546 1.00 53.03 ATOM 50 HB1 HIS 4 -12.343 -11.346 0.076 1.00 38.69 ATOM 51 HB2 HIS 4 -12.850 -11.037 -1.584 1.00 63.11 ATOM 52 CG HIS 4 -14.300 -11.955 -0.378 1.00 30.34 ATOM 53 ND1 HIS 4 -15.237 -11.837 0.627 1.00 52.51 ATOM 54 HD1 HIS 4 -15.253 -11.140 1.316 1.00 52.50 ATOM 55 CD2 HIS 4 -14.655 -13.048 -1.094 1.00 2.31 ATOM 56 HD2 HIS 4 -14.142 -13.441 -1.961 1.00 33.14 ATOM 57 CE1 HIS 4 -16.118 -12.816 0.522 1.00 10.52 ATOM 58 HE1 HIS 4 -16.965 -12.976 1.172 1.00 43.44 ATOM 59 NE2 HIS 4 -15.787 -13.564 -0.514 1.00 75.44 ATOM 60 HE2 HIS 4 -16.223 -14.405 -0.765 1.00 38.69 ATOM 61 C HIS 4 -12.357 -8.632 -0.559 1.00 14.13 ATOM 62 O HIS 4 -12.090 -8.427 -1.743 1.00 60.12 ATOM 63 N HIS 5 -11.686 -8.071 0.442 1.00 50.31 ATOM 64 HN HIS 5 -11.941 -8.280 1.373 1.00 38.69 ATOM 65 CA HIS 5 -10.571 -7.162 0.200 1.00 70.12 ATOM 66 HA HIS 5 -10.895 -6.424 -0.526 1.00 64.15 ATOM 67 CB HIS 5 -10.172 -6.454 1.495 1.00 61.21 ATOM 68 HB1 HIS 5 -9.436 -7.042 2.031 1.00 38.69 ATOM 69 HB2 HIS 5 -11.048 -6.342 2.120 1.00 41.24 ATOM 70 CG HIS 5 -9.601 -5.086 1.279 1.00 75.34 ATOM 71 ND1 HIS 5 -10.048 -3.969 1.953 1.00 71.43 ATOM 72 HD1 HIS 5 -10.763 -3.952 2.623 1.00 3.25 ATOM 73 CD2 HIS 5 -8.613 -4.659 0.458 1.00 13.23 ATOM 74 HD2 HIS 5 -8.025 -5.266 -0.210 1.00 52.41 ATOM 75 CE1 HIS 5 -9.361 -2.914 1.555 1.00 4.32 ATOM 76 HE1 HIS 5 -9.493 -1.903 1.911 1.00 54.25 ATOM 77 NE2 HIS 5 -8.483 -3.305 0.649 1.00 71.12 ATOM 78 HE2 HIS 5 -7.910 -2.708 0.123 1.00 38.69 ATOM 79 C HIS 5 -9.373 -7.913 -0.373 1.00 41.15 ATOM 80 O HIS 5 -8.590 -7.357 -1.145 1.00 74.53 ATOM 81 N HIS 6 -9.235 -9.178 0.010 1.00 71.44 ATOM 82 HN HIS 6 -9.871 -9.577 0.644 1.00 38.69 ATOM 83 CA HIS 6 -8.132 -10.005 -0.466 1.00 60.43 ATOM 84 HA HIS 6 -7.537 -9.426 -1.167 1.00 52.15 ATOM 85 CB HIS 6 -7.240 -10.424 0.702 1.00 22.55 ATOM 86 HB1 HIS 6 -7.614 -11.331 1.160 1.00 38.69 ATOM 87 HB2 HIS 6 -7.245 -9.637 1.445 1.00 35.34 ATOM 88 CG HIS 6 -5.811 -10.649 0.315 1.00 63.34 ATOM 89 ND1 HIS 6 -4.973 -9.633 -0.095 1.00 32.24 ATOM 90 HD1 HIS 6 -5.216 -8.687 -0.174 1.00 1.33 ATOM 91 CD2 HIS 6 -5.071 -11.782 0.277 1.00 74.52 ATOM 92 HD2 HIS 6 -5.408 -12.776 0.536 1.00 65.11 ATOM 93 CE1 HIS 6 -3.781 -10.132 -0.369 1.00 10.11 ATOM 94 HE1 HIS 6 -2.925 -9.570 -0.712 1.00 43.01 ATOM 95 NE2 HIS 6 -3.814 -11.434 -0.151 1.00 60.22 ATOM 96 HE2 HIS 6 -3.037 -12.030 -0.178 1.00 38.69 ATOM 97 C HIS 6 -8.654 -11.242 -1.192 1.00 43.22 ATOM 98 O HIS 6 -9.011 -12.239 -0.564 1.00 2.22 ATOM 99 N HIS 7 -8.696 -11.170 -2.519 1.00 1.51 ATOM 100 HN HIS 7 -8.385 -10.351 -2.972 1.00 38.69 ATOM 101 CA HIS 7 -9.174 -12.283 -3.330 1.00 74.14 ATOM 102 HA HIS 7 -9.790 -12.927 -2.710 1.00 75.21 ATOM 103 CB HIS 7 -10.022 -11.767 -4.494 1.00 3.23 ATOM 104 HB1 HIS 7 -9.380 -11.437 -5.301 1.00 38.69 ATOM 105 HB2 HIS 7 -10.611 -10.926 -4.154 1.00 41.13 ATOM 106 CG HIS 7 -10.968 -12.788 -5.045 1.00 31.40 ATOM 107 ND1 HIS 7 -10.559 -13.853 -5.820 1.00 4.11 ATOM 108 HD1 HIS 7 -9.636 -14.047 -6.084 1.00 65.45 ATOM 109 CD2 HIS 7 -12.312 -12.905 -4.928 1.00 44.31 ATOM 110 HD2 HIS 7 -12.968 -12.240 -4.384 1.00 44.32 ATOM 111 CE1 HIS 7 -11.609 -14.579 -6.157 1.00 55.13 ATOM 112 HE1 HIS 7 -11.591 -15.474 -6.761 1.00 74.20 ATOM 113 NE2 HIS 7 -12.686 -14.025 -5.628 1.00 63.24 ATOM 114 HE2 HIS 7 -13.586 -14.413 -5.642 1.00 38.69 ATOM 115 C HIS 7 -8.007 -13.108 -3.863 1.00 22.31 ATOM 116 O HIS 7 -7.989 -14.333 -3.734 1.00 52.05 ATOM 117 N HIS 8 -7.033 -12.430 -4.462 1.00 12.22 ATOM 118 HN HIS 8 -7.089 -11.453 -4.501 1.00 38.69 ATOM 119 CA HIS 8 -5.862 -13.101 -5.014 1.00 43.51 ATOM 120 HA HIS 8 -6.007 -14.174 -4.971 1.00 11.04 ATOM 121 CB HIS 8 -5.664 -12.704 -6.477 1.00 65.15 ATOM 122 HB1 HIS 8 -6.436 -13.177 -7.066 1.00 38.69 ATOM 123 HB2 HIS 8 -4.703 -13.038 -6.838 1.00 63.20 ATOM 124 CG HIS 8 -5.761 -11.229 -6.717 1.00 14.11 ATOM 125 ND1 HIS 8 -6.365 -10.686 -7.832 1.00 4.24 ATOM 126 HD1 HIS 8 -6.780 -11.191 -8.562 1.00 31.12 ATOM 127 CD2 HIS 8 -5.330 -10.181 -5.976 1.00 62.34 ATOM 128 HD2 HIS 8 -4.809 -10.229 -5.032 1.00 73.14 ATOM 129 CE1 HIS 8 -6.298 -9.368 -7.767 1.00 53.03 ATOM 130 HE1 HIS 8 -6.688 -8.679 -8.501 1.00 13.33 ATOM 131 NE2 HIS 8 -5.675 -9.036 -6.651 1.00 34.12 ATOM 132 HE2 HIS 8 -5.408 -8.126 -6.402 1.00 38.69 ATOM 133 C HIS 8 -4.611 -12.761 -4.209 1.00 11.21 ATOM 134 O HIS 8 -4.678 -12.036 -3.216 1.00 51.13 ATOM 135 N SER 9 -3.472 -13.290 -4.643 1.00 23.00 ATOM 136 HN SER 9 -3.468 -13.886 -5.423 1.00 38.69 ATOM 137 CA SER 9 -2.207 -13.047 -3.960 1.00 4.42 ATOM 138 HA SER 9 -1.455 -13.669 -4.423 1.00 21.54 ATOM 139 CB SER 9 -1.798 -11.579 -4.106 1.00 30.54 ATOM 140 HB1 SER 9 -2.348 -10.965 -3.404 1.00 38.69 ATOM 141 HB2 SER 9 -2.016 -11.247 -5.112 1.00 20.03 ATOM 142 OG SER 9 -0.410 -11.411 -3.875 1.00 30.31 ATOM 143 HG SER 9 -0.241 -11.387 -2.930 1.00 72.03 ATOM 144 C SER 9 -2.308 -13.414 -2.482 1.00 44.34 ATOM 145 O SER 9 -1.678 -12.786 -1.630 1.00 64.33 ATOM 146 N HIS 10 -3.105 -14.435 -2.186 1.00 53.11 ATOM 147 HN HIS 10 -3.583 -14.898 -2.909 1.00 38.69 ATOM 148 CA HIS 10 -3.289 -14.887 -0.812 1.00 35.43 ATOM 149 HA HIS 10 -3.817 -14.108 -0.292 1.00 35.03 ATOM 150 CB HIS 10 -4.131 -16.163 -0.781 1.00 31.50 ATOM 151 HB1 HIS 10 -5.161 -15.903 -0.975 1.00 38.69 ATOM 152 HB2 HIS 10 -4.066 -16.632 0.189 1.00 5.22 ATOM 153 CG HIS 10 -3.717 -17.179 -1.801 1.00 42.11 ATOM 154 ND1 HIS 10 -4.519 -17.555 -2.857 1.00 73.33 ATOM 155 HD1 HIS 10 -5.416 -17.209 -3.046 1.00 42.32 ATOM 156 CD2 HIS 10 -2.576 -17.896 -1.923 1.00 64.42 ATOM 157 HD2 HIS 10 -1.720 -17.854 -1.264 1.00 63.33 ATOM 158 CE1 HIS 10 -3.890 -18.462 -3.584 1.00 54.41 ATOM 159 HE1 HIS 10 -4.276 -18.938 -4.473 1.00 21.00 ATOM 160 NE2 HIS 10 -2.708 -18.686 -3.039 1.00 14.02 ATOM 161 HE2 HIS 10 -2.001 -19.239 -3.432 1.00 38.69 ATOM 162 C HIS 10 -1.944 -15.135 -0.136 1.00 40.22 ATOM 163 O HIS 10 -0.928 -15.370 -0.790 1.00 63.11 ATOM 164 N PRO 11 -1.935 -15.080 1.204 1.00 70.21 ATOM 165 CA PRO 11 -0.721 -15.295 1.997 1.00 60.52 ATOM 166 HA PRO 11 0.079 -14.641 1.675 1.00 23.50 ATOM 167 CB PRO 11 -1.151 -14.914 3.415 1.00 14.53 ATOM 168 HB1 PRO 11 -0.910 -13.877 3.594 1.00 38.69 ATOM 169 HB2 PRO 11 -0.649 -15.532 4.150 1.00 1.12 ATOM 170 CG PRO 11 -2.625 -15.129 3.435 1.00 54.43 ATOM 171 HG1 PRO 11 -3.083 -14.468 4.155 1.00 38.69 ATOM 172 HG2 PRO 11 -2.843 -16.159 3.677 1.00 33.52 ATOM 173 CD PRO 11 -3.109 -14.805 2.048 1.00 15.44 ATOM 174 HD1 PRO 11 -3.395 -13.765 1.984 1.00 38.69 ATOM 175 HD2 PRO 11 -3.939 -15.437 1.798 1.00 40.14 ATOM 176 C PRO 11 -0.251 -16.745 1.955 1.00 21.51 ATOM 177 O PRO 11 -1.062 -17.671 1.946 1.00 42.53 ATOM 178 N ASN 12 1.064 -16.936 1.931 1.00 43.13 ATOM 179 HN ASN 12 1.664 -16.153 1.947 1.00 38.69 ATOM 180 CA ASN 12 1.642 -18.274 1.890 1.00 62.31 ATOM 181 HA ASN 12 1.084 -18.867 1.175 1.00 22.14 ATOM 182 CB ASN 12 3.102 -18.209 1.435 1.00 15.30 ATOM 183 HB1 ASN 12 3.473 -19.214 1.289 1.00 38.69 ATOM 184 HB2 ASN 12 3.693 -17.720 2.199 1.00 73.33 ATOM 185 CG ASN 12 3.268 -17.446 0.135 1.00 61.12 ATOM 186 OD1 ASN 12 2.406 -17.498 -0.743 1.00 3.22 ATOM 187 ND2 ASN 12 4.381 -16.733 0.006 1.00 60.24 ATOM 188 HD21 ASN 12 5.036 -16.729 0.740 1.00 45.01 ATOM 189 HD22 ASN 12 4.507 -16.232 -0.827 1.00 0.04 ATOM 190 C ASN 12 1.553 -18.947 3.256 1.00 5.04 ATOM 191 O ASN 12 1.128 -18.333 4.234 1.00 23.03 ATOM 192 N GLU 13 1.959 -20.212 3.315 1.00 54.22 ATOM 193 HN GLU 13 2.295 -20.650 2.496 1.00 38.69 ATOM 194 CA GLU 13 1.924 -20.967 4.562 1.00 64.35 ATOM 195 HA GLU 13 0.916 -20.927 4.953 1.00 53.13 ATOM 196 CB GLU 13 2.295 -22.430 4.308 1.00 71.04 ATOM 197 HB1 GLU 13 3.308 -22.468 3.926 1.00 38.69 ATOM 198 HB2 GLU 13 1.625 -22.828 3.559 1.00 43.52 ATOM 199 CG GLU 13 2.195 -23.307 5.545 1.00 50.24 ATOM 200 HG1 GLU 13 1.201 -23.727 5.583 1.00 38.69 ATOM 201 HG2 GLU 13 2.365 -22.725 6.439 1.00 0.22 ATOM 202 CD GLU 13 3.190 -24.451 5.531 1.00 42.32 ATOM 203 OE1 GLU 13 3.284 -25.142 4.495 1.00 61.11 ATOM 204 OE2 GLU 13 3.875 -24.655 6.555 1.00 14.20 ATOM 205 C GLU 13 2.874 -20.362 5.591 1.00 44.11 ATOM 206 O GLU 13 2.496 -20.131 6.739 1.00 60.12 ATOM 207 N GLU 14 4.110 -20.108 5.170 1.00 33.02 ATOM 208 HN GLU 14 4.351 -20.304 4.233 1.00 38.69 ATOM 209 CA GLU 14 5.114 -19.531 6.056 1.00 40.01 ATOM 210 HA GLU 14 5.120 -20.097 6.979 1.00 33.42 ATOM 211 CB GLU 14 6.502 -19.623 5.418 1.00 31.23 ATOM 212 HB1 GLU 14 7.234 -19.218 6.105 1.00 38.69 ATOM 213 HB2 GLU 14 6.505 -19.030 4.512 1.00 0.12 ATOM 214 CG GLU 14 6.918 -21.042 5.068 1.00 32.13 ATOM 215 HG1 GLU 14 6.120 -21.528 4.526 1.00 38.69 ATOM 216 HG2 GLU 14 7.109 -21.582 5.983 1.00 44.43 ATOM 217 CD GLU 14 8.169 -21.089 4.213 1.00 52.04 ATOM 218 OE1 GLU 14 8.340 -20.192 3.360 1.00 35.45 ATOM 219 OE2 GLU 14 8.977 -22.023 4.396 1.00 65.00 ATOM 220 C GLU 14 4.785 -18.076 6.376 1.00 2.33 ATOM 221 O GLU 14 5.140 -17.568 7.439 1.00 5.43 ATOM 222 N ALA 15 4.105 -17.411 5.448 1.00 13.24 ATOM 223 HN ALA 15 3.854 -17.860 4.608 1.00 38.69 ATOM 224 CA ALA 15 3.726 -16.015 5.632 1.00 64.24 ATOM 225 HA ALA 15 4.592 -15.468 5.986 1.00 3.14 ATOM 226 CB ALA 15 3.303 -15.404 4.304 1.00 32.40 ATOM 227 HB1 ALA 15 3.111 -14.348 4.435 1.00 15.34 ATOM 228 HB2 ALA 15 2.407 -15.892 3.950 1.00 71.21 ATOM 229 HB3 ALA 15 4.093 -15.538 3.580 1.00 20.10 ATOM 230 C ALA 15 2.608 -15.880 6.659 1.00 12.12 ATOM 231 O ALA 15 2.694 -15.069 7.582 1.00 63.42 ATOM 232 N ARG 16 1.558 -16.678 6.493 1.00 63.11 ATOM 233 HN ARG 16 1.546 -17.309 5.734 1.00 38.69 ATOM 234 CA ARG 16 0.422 -16.646 7.405 1.00 14.44 ATOM 235 HA ARG 16 0.066 -15.626 7.467 1.00 21.42 ATOM 236 CB ARG 16 -0.710 -17.528 6.875 1.00 13.34 ATOM 237 HB1 ARG 16 -0.906 -17.260 5.846 1.00 38.69 ATOM 238 HB2 ARG 16 -1.597 -17.334 7.463 1.00 0.14 ATOM 239 CG ARG 16 -0.402 -19.015 6.933 1.00 3.25 ATOM 240 HG1 ARG 16 -0.155 -19.301 7.941 1.00 38.69 ATOM 241 HG2 ARG 16 0.420 -19.228 6.286 1.00 73.02 ATOM 242 CD ARG 16 -1.595 -19.849 6.493 1.00 4.14 ATOM 243 HD1 ARG 16 -1.320 -20.894 6.532 1.00 38.69 ATOM 244 HD2 ARG 16 -1.831 -19.579 5.473 1.00 13.31 ATOM 245 NE ARG 16 -2.760 -19.630 7.346 1.00 51.22 ATOM 246 HE ARG 16 -2.609 -19.254 8.245 1.00 64.33 ATOM 247 CZ ARG 16 -4.004 -19.916 6.978 1.00 61.21 ATOM 248 NH1 ARG 16 -4.242 -20.431 5.780 1.00 55.14 ATOM 249 HH11 ARG 16 -3.506 -20.618 5.135 1.00 4.41 ATOM 250 HH12 ARG 16 -5.182 -20.640 5.510 1.00 0.25 ATOM 251 NH2 ARG 16 -5.012 -19.688 7.810 1.00 73.32 ATOM 252 HH21 ARG 16 -4.835 -19.305 8.711 1.00 13.31 ATOM 253 HH22 ARG 16 -5.936 -19.905 7.550 1.00 2.01 ATOM 254 C ARG 16 0.831 -17.108 8.801 1.00 70.55 ATOM 255 O ARG 16 0.309 -16.624 9.805 1.00 14.13 ATOM 256 N LEU 17 1.768 -18.049 8.855 1.00 53.21 ATOM 257 HN LEU 17 2.140 -18.417 8.020 1.00 38.69 ATOM 258 CA LEU 17 2.247 -18.578 10.127 1.00 65.21 ATOM 259 HA LEU 17 1.406 -19.013 10.649 1.00 50.33 ATOM 260 CB LEU 17 3.294 -19.668 9.886 1.00 12.32 ATOM 261 HB1 LEU 17 3.958 -19.324 9.103 1.00 38.69 ATOM 262 HB2 LEU 17 2.779 -20.550 9.530 1.00 72.14 ATOM 263 CG LEU 17 4.146 -20.059 11.094 1.00 13.23 ATOM 264 HG LEU 17 4.695 -19.200 11.445 1.00 73.13 ATOM 265 CD1 LEU 17 3.265 -20.550 12.232 1.00 35.12 ATOM 266 HD11 LEU 17 2.751 -21.453 11.933 1.00 65.24 ATOM 267 HD12 LEU 17 2.539 -19.801 12.500 1.00 52.20 ATOM 268 HD13 LEU 17 3.884 -20.760 13.086 1.00 72.40 ATOM 269 CD2 LEU 17 5.163 -21.122 10.708 1.00 60.43 ATOM 270 HD21 LEU 17 4.663 -21.929 10.205 1.00 22.23 ATOM 271 HD22 LEU 17 5.659 -21.505 11.588 1.00 74.12 ATOM 272 HD23 LEU 17 5.897 -20.690 10.044 1.00 32.44 ATOM 273 C LEU 17 2.841 -17.469 10.989 1.00 11.22 ATOM 274 O LEU 17 2.719 -17.488 12.214 1.00 33.41 ATOM 275 N ASP 18 3.482 -16.502 10.342 1.00 72.04 ATOM 276 HN ASP 18 3.572 -16.547 9.361 1.00 38.69 ATOM 277 CA ASP 18 4.092 -15.382 11.049 1.00 55.12 ATOM 278 HA ASP 18 4.906 -15.773 11.645 1.00 23.54 ATOM 279 CB ASP 18 4.645 -14.362 10.052 1.00 20.31 ATOM 280 HB1 ASP 18 3.827 -13.870 9.542 1.00 38.69 ATOM 281 HB2 ASP 18 5.253 -14.879 9.324 1.00 45.14 ATOM 282 CG ASP 18 5.503 -13.306 10.720 1.00 23.45 ATOM 283 OD1 ASP 18 6.687 -13.592 10.998 1.00 1.02 ATOM 284 OD2 ASP 18 4.992 -12.194 10.965 1.00 35.01 ATOM 285 C ASP 18 3.083 -14.710 11.975 1.00 33.12 ATOM 286 O ASP 18 3.421 -14.306 13.088 1.00 32.02 ATOM 287 N ILE 19 1.844 -14.594 11.508 1.00 3.40 ATOM 288 HN ILE 19 1.629 -14.950 10.616 1.00 38.69 ATOM 289 CA ILE 19 0.787 -13.971 12.295 1.00 40.13 ATOM 290 HA ILE 19 1.094 -12.958 12.530 1.00 74.13 ATOM 291 CB ILE 19 -0.536 -13.907 11.509 1.00 31.01 ATOM 292 HB ILE 19 -0.836 -14.920 11.273 1.00 43.25 ATOM 293 CG1 ILE 19 -0.346 -13.120 10.211 1.00 52.21 ATOM 294 HG11 ILE 19 0.602 -13.366 9.756 1.00 38.69 ATOM 295 HG12 ILE 19 -0.361 -12.059 10.421 1.00 63.25 ATOM 296 CG2 ILE 19 -1.628 -13.278 12.361 1.00 33.23 ATOM 297 HG21 ILE 19 -1.946 -13.980 13.111 1.00 33.11 ATOM 298 HG22 ILE 19 -2.479 -13.024 11.742 1.00 71.21 ATOM 299 HG23 ILE 19 -1.258 -12.381 12.840 1.00 61.41 ATOM 300 CD1 ILE 19 -1.414 -13.395 9.176 1.00 54.42 ATOM 301 HD11 ILE 19 -2.376 -13.093 9.560 1.00 71.12 ATOM 302 HD12 ILE 19 -1.433 -14.451 8.948 1.00 55.13 ATOM 303 HD13 ILE 19 -1.195 -12.838 8.277 1.00 53.32 ATOM 304 C ILE 19 0.555 -14.726 13.599 1.00 71.10 ATOM 305 O ILE 19 0.495 -14.127 14.674 1.00 63.42 ATOM 306 N LEU 20 0.426 -16.044 13.498 1.00 61.42 ATOM 307 HN LEU 20 0.482 -16.469 12.608 1.00 38.69 ATOM 308 CA LEU 20 0.202 -16.883 14.670 1.00 24.41 ATOM 309 HA LEU 20 -0.657 -16.496 15.205 1.00 22.02 ATOM 310 CB LEU 20 -0.086 -18.324 14.243 1.00 11.32 ATOM 311 HB1 LEU 20 0.099 -18.977 15.091 1.00 38.69 ATOM 312 HB2 LEU 20 0.634 -18.581 13.475 1.00 54.11 ATOM 313 CG LEU 20 -1.495 -18.599 13.718 1.00 55.42 ATOM 314 HG LEU 20 -1.994 -17.666 13.526 1.00 11.03 ATOM 315 CD1 LEU 20 -1.436 -19.373 12.410 1.00 12.22 ATOM 316 HD11 LEU 20 -0.877 -18.806 11.678 1.00 72.15 ATOM 317 HD12 LEU 20 -2.439 -19.538 12.040 1.00 64.32 ATOM 318 HD13 LEU 20 -0.952 -20.327 12.571 1.00 52.14 ATOM 319 CD2 LEU 20 -2.312 -19.359 14.753 1.00 2.41 ATOM 320 HD21 LEU 20 -1.874 -20.334 14.919 1.00 44.23 ATOM 321 HD22 LEU 20 -3.326 -19.477 14.398 1.00 70.03 ATOM 322 HD23 LEU 20 -2.323 -18.812 15.684 1.00 74.00 ATOM 323 C LEU 20 1.409 -16.849 15.602 1.00 21.35 ATOM 324 O LEU 20 1.263 -16.847 16.825 1.00 61.40 ATOM 325 N LYS 21 2.602 -16.820 15.017 1.00 34.24 ATOM 326 HN LYS 21 2.662 -16.841 14.033 1.00 38.69 ATOM 327 CA LYS 21 3.835 -16.782 15.794 1.00 31.33 ATOM 328 HA LYS 21 3.874 -17.661 16.415 1.00 34.53 ATOM 329 CB LYS 21 5.049 -16.770 14.862 1.00 32.15 ATOM 330 HB1 LYS 21 5.928 -16.466 15.420 1.00 38.69 ATOM 331 HB2 LYS 21 4.873 -16.053 14.073 1.00 21.23 ATOM 332 CG LYS 21 5.344 -18.119 14.231 1.00 62.43 ATOM 333 HG1 LYS 21 4.453 -18.473 13.730 1.00 38.69 ATOM 334 HG2 LYS 21 5.611 -18.810 15.017 1.00 62.21 ATOM 335 CD LYS 21 6.472 -18.025 13.216 1.00 35.43 ATOM 336 HD1 LYS 21 7.202 -17.296 13.547 1.00 38.69 ATOM 337 HD2 LYS 21 6.065 -17.717 12.266 1.00 33.20 ATOM 338 CE LYS 21 7.175 -19.362 13.039 1.00 73.41 ATOM 339 HE1 LYS 21 7.783 -19.318 12.147 1.00 38.69 ATOM 340 HE2 LYS 21 6.438 -20.140 12.931 1.00 1.02 ATOM 341 NZ LYS 21 8.047 -19.689 14.201 1.00 13.21 ATOM 342 HZ1 LYS 21 7.479 -19.796 15.065 1.00 65.23 ATOM 343 HZ2 LYS 21 8.750 -18.935 14.352 1.00 63.34 ATOM 344 HZ3 LYS 21 8.552 -20.581 14.023 1.00 42.33 ATOM 345 C LYS 21 3.867 -15.559 16.704 1.00 1.44 ATOM 346 O LYS 21 4.334 -15.632 17.841 1.00 3.44 ATOM 347 N ILE 22 3.367 -14.437 16.198 1.00 41.33 ATOM 348 HN ILE 22 3.010 -14.432 15.279 1.00 38.69 ATOM 349 CA ILE 22 3.337 -13.199 16.967 1.00 52.23 ATOM 350 HA ILE 22 4.306 -13.053 17.421 1.00 64.23 ATOM 351 CB ILE 22 3.041 -11.984 16.067 1.00 61.30 ATOM 352 HB ILE 22 2.070 -12.132 15.611 1.00 40.33 ATOM 353 CG1 ILE 22 4.102 -11.864 14.971 1.00 52.21 ATOM 354 HG11 ILE 22 4.367 -12.837 14.598 1.00 38.69 ATOM 355 HG12 ILE 22 4.992 -11.400 15.376 1.00 3.34 ATOM 356 CG2 ILE 22 2.983 -10.711 16.898 1.00 62.21 ATOM 357 HG21 ILE 22 3.876 -10.626 17.503 1.00 50.42 ATOM 358 HG22 ILE 22 2.114 -10.726 17.538 1.00 42.30 ATOM 359 HG23 ILE 22 2.916 -9.852 16.245 1.00 21.12 ATOM 360 CD1 ILE 22 3.656 -11.033 13.788 1.00 64.23 ATOM 361 HD11 ILE 22 4.454 -10.982 13.064 1.00 24.44 ATOM 362 HD12 ILE 22 3.408 -10.036 14.119 1.00 61.51 ATOM 363 HD13 ILE 22 2.788 -11.488 13.335 1.00 24.13 ATOM 364 C ILE 22 2.290 -13.265 18.073 1.00 13.53 ATOM 365 O ILE 22 2.589 -13.016 19.242 1.00 70.23 ATOM 366 N HIS 23 1.060 -13.602 17.698 1.00 61.53 ATOM 367 HN HIS 23 0.881 -13.789 16.745 1.00 38.69 ATOM 368 CA HIS 23 -0.032 -13.704 18.659 1.00 12.30 ATOM 369 HA HIS 23 -0.147 -12.741 19.141 1.00 75.42 ATOM 370 CB HIS 23 -1.336 -14.062 17.946 1.00 70.45 ATOM 371 HB1 HIS 23 -2.112 -14.242 18.680 1.00 38.69 ATOM 372 HB2 HIS 23 -1.182 -14.960 17.367 1.00 44.05 ATOM 373 CG HIS 23 -1.827 -12.991 17.021 1.00 34.24 ATOM 374 ND1 HIS 23 -1.903 -11.662 17.382 1.00 22.40 ATOM 375 HD1 HIS 23 -1.653 -11.290 18.253 1.00 5.12 ATOM 376 CD2 HIS 23 -2.268 -13.058 15.743 1.00 33.24 ATOM 377 HD2 HIS 23 -2.338 -13.945 15.139 1.00 1.11 ATOM 378 CE1 HIS 23 -2.370 -10.959 16.367 1.00 54.35 ATOM 379 HE1 HIS 23 -2.535 -9.892 16.361 1.00 44.13 ATOM 380 NE2 HIS 23 -2.600 -11.782 15.360 1.00 62.15 ATOM 381 HE2 HIS 23 -2.861 -11.509 14.456 1.00 38.69 ATOM 382 C HIS 23 0.280 -14.746 19.728 1.00 31.33 ATOM 383 O HIS 23 -0.181 -14.641 20.865 1.00 64.01 ATOM 384 N SER 24 1.064 -15.753 19.356 1.00 44.44 ATOM 385 HN SER 24 1.395 -15.804 18.430 1.00 38.69 ATOM 386 CA SER 24 1.434 -16.817 20.281 1.00 2.24 ATOM 387 HA SER 24 0.596 -17.010 20.941 1.00 24.25 ATOM 388 CB SER 24 1.752 -18.102 19.514 1.00 42.51 ATOM 389 HB1 SER 24 1.008 -18.255 18.749 1.00 38.69 ATOM 390 HB2 SER 24 1.733 -18.931 20.180 1.00 33.02 ATOM 391 OG SER 24 3.026 -18.025 18.898 1.00 61.42 ATOM 392 HG SER 24 3.707 -18.328 19.494 1.00 51.24 ATOM 393 C SER 24 2.635 -16.407 21.129 1.00 53.21 ATOM 394 O SER 24 2.788 -16.854 22.266 1.00 55.03 ATOM 395 N ARG 25 3.484 -15.553 20.567 1.00 71.13 ATOM 396 HN ARG 25 3.330 -15.248 19.646 1.00 38.69 ATOM 397 CA ARG 25 4.672 -15.083 21.269 1.00 11.10 ATOM 398 HA ARG 25 5.261 -15.949 21.549 1.00 21.25 ATOM 399 CB ARG 25 5.502 -14.176 20.360 1.00 44.44 ATOM 400 HB1 ARG 25 5.993 -13.415 20.956 1.00 38.69 ATOM 401 HB2 ARG 25 4.845 -13.686 19.659 1.00 23.25 ATOM 402 CG ARG 25 6.583 -14.913 19.586 1.00 22.22 ATOM 403 HG1 ARG 25 6.206 -15.868 19.250 1.00 38.69 ATOM 404 HG2 ARG 25 7.425 -15.078 20.242 1.00 22.22 ATOM 405 CD ARG 25 7.048 -14.114 18.379 1.00 4.11 ATOM 406 HD1 ARG 25 6.217 -13.564 17.969 1.00 38.69 ATOM 407 HD2 ARG 25 7.406 -14.799 17.624 1.00 55.21 ATOM 408 NE ARG 25 8.105 -13.166 18.724 1.00 35.12 ATOM 409 HE ARG 25 7.846 -12.226 18.843 1.00 53.35 ATOM 410 CZ ARG 25 9.378 -13.510 18.882 1.00 71.04 ATOM 411 NH1 ARG 25 9.751 -14.773 18.725 1.00 3.41 ATOM 412 HH11 ARG 25 9.097 -15.487 18.492 1.00 2.24 ATOM 413 HH12 ARG 25 10.715 -15.021 18.843 1.00 40.30 ATOM 414 NH2 ARG 25 10.281 -12.590 19.196 1.00 50.13 ATOM 415 HH21 ARG 25 10.006 -11.634 19.315 1.00 23.12 ATOM 416 HH22 ARG 25 11.242 -12.847 19.316 1.00 12.31 ATOM 417 C ARG 25 4.290 -14.333 22.542 1.00 52.02 ATOM 418 O ARG 25 5.056 -14.291 23.505 1.00 40.24 ATOM 419 N LYS 26 3.100 -13.741 22.539 1.00 20.41 ATOM 420 HN LYS 26 2.530 -13.782 21.738 1.00 38.69 ATOM 421 CA LYS 26 2.614 -12.993 23.693 1.00 64.34 ATOM 422 HA LYS 26 3.465 -12.612 24.249 1.00 41.03 ATOM 423 CB LYS 26 1.752 -11.814 23.236 1.00 64.35 ATOM 424 HB1 LYS 26 1.004 -11.590 23.990 1.00 38.69 ATOM 425 HB2 LYS 26 1.240 -12.088 22.323 1.00 14.21 ATOM 426 CG LYS 26 2.548 -10.550 22.960 1.00 12.11 ATOM 427 HG1 LYS 26 1.982 -9.922 22.285 1.00 38.69 ATOM 428 HG2 LYS 26 3.488 -10.814 22.491 1.00 44.43 ATOM 429 CD LYS 26 2.840 -9.785 24.240 1.00 31.01 ATOM 430 HD1 LYS 26 3.656 -9.102 24.050 1.00 38.69 ATOM 431 HD2 LYS 26 3.128 -10.476 25.022 1.00 23.53 ATOM 432 CE LYS 26 1.629 -8.990 24.703 1.00 35.33 ATOM 433 HE1 LYS 26 1.030 -9.618 25.346 1.00 38.69 ATOM 434 HE2 LYS 26 1.039 -8.687 23.847 1.00 12.52 ATOM 435 NZ LYS 26 2.022 -7.768 25.457 1.00 43.20 ATOM 436 HZ1 LYS 26 1.172 -7.249 25.758 1.00 53.03 ATOM 437 HZ2 LYS 26 2.600 -7.142 24.858 1.00 5.34 ATOM 438 HZ3 LYS 26 2.572 -8.026 26.303 1.00 64.44 ATOM 439 C LYS 26 1.810 -13.893 24.625 1.00 23.15 ATOM 440 O LYS 26 1.714 -13.632 25.824 1.00 23.02 ATOM 441 N MET 27 1.236 -14.954 24.067 1.00 13.44 ATOM 442 HN MET 27 1.326 -15.112 23.104 1.00 38.69 ATOM 443 CA MET 27 0.442 -15.893 24.851 1.00 23.31 ATOM 444 HA MET 27 0.050 -15.382 25.724 1.00 70.42 ATOM 445 CB MET 27 -0.736 -16.413 24.024 1.00 4.34 ATOM 446 HB1 MET 27 -1.199 -17.235 24.559 1.00 38.69 ATOM 447 HB2 MET 27 -0.359 -16.779 23.079 1.00 4.45 ATOM 448 CG MET 27 -1.790 -15.356 23.737 1.00 5.43 ATOM 449 HG1 MET 27 -1.557 -14.878 22.802 1.00 38.69 ATOM 450 HG2 MET 27 -1.785 -14.615 24.527 1.00 41.50 ATOM 451 SD MET 27 -3.452 -16.044 23.628 1.00 33.31 ATOM 452 CE MET 27 -3.178 -17.414 22.507 1.00 35.11 ATOM 453 HE1 MET 27 -4.129 -17.823 22.200 1.00 23.45 ATOM 454 HE2 MET 27 -2.603 -18.180 23.007 1.00 21.24 ATOM 455 HE3 MET 27 -2.638 -17.067 21.639 1.00 43.23 ATOM 456 C MET 27 1.298 -17.062 25.328 1.00 64.20 ATOM 457 O MET 27 2.445 -17.216 24.908 1.00 14.33 ATOM 458 N ASN 28 0.734 -17.883 26.208 1.00 71.35 ATOM 459 HN ASN 28 -0.195 -17.718 26.498 1.00 38.69 ATOM 460 CA ASN 28 1.447 -19.038 26.742 1.00 53.00 ATOM 461 HA ASN 28 2.506 -18.796 26.777 1.00 34.42 ATOM 462 CB ASN 28 0.974 -19.341 28.165 1.00 23.13 ATOM 463 HB1 ASN 28 -0.030 -19.718 28.133 1.00 38.69 ATOM 464 HB2 ASN 28 0.987 -18.425 28.739 1.00 2.11 ATOM 465 CG ASN 28 1.863 -20.350 28.867 1.00 1.20 ATOM 466 OD1 ASN 28 2.724 -20.973 28.246 1.00 61.11 ATOM 467 ND2 ASN 28 1.657 -20.515 30.169 1.00 44.15 ATOM 468 HD21 ASN 28 0.960 -19.990 30.609 1.00 33.23 ATOM 469 HD22 ASN 28 2.219 -21.164 30.641 1.00 24.31 ATOM 470 C ASN 28 1.242 -20.262 25.855 1.00 60.13 ATOM 471 O ASN 28 0.113 -20.602 25.498 1.00 62.22 ATOM 472 N LEU 29 2.341 -20.921 25.502 1.00 15.34 ATOM 473 HN LEU 29 3.222 -20.607 25.810 1.00 38.69 ATOM 474 CA LEU 29 2.283 -22.108 24.657 1.00 34.31 ATOM 475 HA LEU 29 1.251 -22.346 24.458 1.00 53.13 ATOM 476 CB LEU 29 2.978 -21.842 23.321 1.00 41.20 ATOM 477 HB1 LEU 29 2.644 -22.590 22.630 1.00 38.69 ATOM 478 HB2 LEU 29 4.048 -21.960 23.461 1.00 74.14 ATOM 479 CG LEU 29 2.735 -20.466 22.700 1.00 14.33 ATOM 480 HG LEU 29 3.017 -19.699 23.406 1.00 52.24 ATOM 481 CD1 LEU 29 3.590 -20.282 21.456 1.00 33.51 ATOM 482 HD11 LEU 29 4.603 -20.612 21.651 1.00 52.12 ATOM 483 HD12 LEU 29 3.610 -19.240 21.205 1.00 44.52 ATOM 484 HD13 LEU 29 3.180 -20.849 20.630 1.00 20.43 ATOM 485 CD2 LEU 29 1.261 -20.284 22.368 1.00 13.54 ATOM 486 HD21 LEU 29 0.638 -20.639 23.171 1.00 51.31 ATOM 487 HD22 LEU 29 1.027 -20.827 21.471 1.00 61.40 ATOM 488 HD23 LEU 29 1.063 -19.234 22.209 1.00 63.22 ATOM 489 C LEU 29 2.930 -23.303 25.351 1.00 52.41 ATOM 490 O LEU 29 3.788 -23.141 26.219 1.00 1.41 ATOM 491 N THR 30 2.514 -24.504 24.961 1.00 43.21 ATOM 492 HN THR 30 1.822 -24.570 24.261 1.00 38.69 ATOM 493 CA THR 30 3.054 -25.726 25.544 1.00 13.30 ATOM 494 HA THR 30 2.936 -25.672 26.619 1.00 22.21 ATOM 495 CB THR 30 2.295 -26.969 25.044 1.00 33.41 ATOM 496 HB THR 30 1.247 -26.821 25.225 1.00 33.11 ATOM 497 OG1 THR 30 2.732 -28.130 25.759 1.00 32.43 ATOM 498 HG1 THR 30 2.293 -28.168 26.613 1.00 11.14 ATOM 499 CG2 THR 30 2.514 -27.174 23.553 1.00 52.13 ATOM 500 HG21 THR 30 2.120 -26.327 23.017 1.00 41.32 ATOM 501 HG22 THR 30 1.986 -28.063 23.240 1.00 42.44 ATOM 502 HG23 THR 30 3.563 -27.293 23.331 1.00 50.24 ATOM 503 C THR 30 4.535 -25.883 25.218 1.00 35.24 ATOM 504 O THR 30 5.087 -25.129 24.418 1.00 43.31 ATOM 505 N ARG 31 5.172 -26.868 25.843 1.00 35.11 ATOM 506 HN ARG 31 4.672 -27.451 26.463 1.00 38.69 ATOM 507 CA ARG 31 6.589 -27.124 25.620 1.00 43.14 ATOM 508 HA ARG 31 7.088 -26.176 25.461 1.00 35.53 ATOM 509 CB ARG 31 7.205 -27.806 26.843 1.00 44.25 ATOM 510 HB1 ARG 31 8.209 -28.131 26.608 1.00 38.69 ATOM 511 HB2 ARG 31 6.609 -28.676 27.082 1.00 51.03 ATOM 512 CG ARG 31 7.250 -26.919 28.076 1.00 31.23 ATOM 513 HG1 ARG 31 7.551 -27.517 28.924 1.00 38.69 ATOM 514 HG2 ARG 31 6.266 -26.509 28.256 1.00 64.30 ATOM 515 CD ARG 31 8.238 -25.776 27.906 1.00 62.24 ATOM 516 HD1 ARG 31 8.228 -25.181 28.808 1.00 38.69 ATOM 517 HD2 ARG 31 7.933 -25.162 27.073 1.00 4.32 ATOM 518 NE ARG 31 9.597 -26.258 27.675 1.00 45.32 ATOM 519 HE ARG 31 9.748 -27.229 27.639 1.00 41.43 ATOM 520 CZ ARG 31 10.646 -25.456 27.526 1.00 51.33 ATOM 521 NH1 ARG 31 10.492 -24.140 27.583 1.00 32.13 ATOM 522 HH11 ARG 31 9.595 -23.728 27.737 1.00 75.21 ATOM 523 HH12 ARG 31 11.289 -23.542 27.470 1.00 60.41 ATOM 524 NH2 ARG 31 11.852 -25.969 27.319 1.00 73.50 ATOM 525 HH21 ARG 31 11.976 -26.962 27.274 1.00 12.22 ATOM 526 HH22 ARG 31 12.644 -25.365 27.206 1.00 72.23 ATOM 527 C ARG 31 6.797 -27.992 24.382 1.00 54.44 ATOM 528 O ARG 31 6.663 -29.213 24.438 1.00 62.31 ATOM 529 N GLY 32 7.123 -27.350 23.264 1.00 64.45 ATOM 530 HN GLY 32 7.229 -26.372 23.271 1.00 38.69 ATOM 531 CA GLY 32 7.343 -28.079 22.028 1.00 41.02 ATOM 532 HA1 GLY 32 7.506 -29.131 22.227 1.00 38.69 ATOM 533 HA2 GLY 32 8.229 -27.683 21.555 1.00 22.40 ATOM 534 C GLY 32 6.186 -27.940 21.059 1.00 53.40 ATOM 535 O GLY 32 5.856 -28.880 20.336 1.00 64.22 ATOM 536 N ILE 33 5.566 -26.764 21.045 1.00 20.32 ATOM 537 HN ILE 33 5.885 -26.035 21.623 1.00 38.69 ATOM 538 CA ILE 33 4.438 -26.506 20.158 1.00 24.14 ATOM 539 HA ILE 33 3.837 -27.412 20.108 1.00 52.20 ATOM 540 CB ILE 33 3.549 -25.369 20.695 1.00 70.10 ATOM 541 HB ILE 33 3.406 -25.515 21.741 1.00 2.42 ATOM 542 CG1 ILE 33 2.193 -25.375 19.987 1.00 72.55 ATOM 543 HG11 ILE 33 1.704 -26.323 20.166 1.00 38.69 ATOM 544 HG12 ILE 33 2.339 -25.247 18.924 1.00 73.45 ATOM 545 CG2 ILE 33 4.240 -24.026 20.515 1.00 4.10 ATOM 546 HG21 ILE 33 5.266 -24.089 20.850 1.00 44.44 ATOM 547 HG22 ILE 33 3.733 -23.283 21.097 1.00 61.21 ATOM 548 HG23 ILE 33 4.223 -23.726 19.476 1.00 51.22 ATOM 549 CD1 ILE 33 1.262 -24.279 20.454 1.00 13.21 ATOM 550 HD11 ILE 33 1.631 -23.818 21.354 1.00 73.44 ATOM 551 HD12 ILE 33 0.303 -24.716 20.660 1.00 62.02 ATOM 552 HD13 ILE 33 1.162 -23.534 19.678 1.00 50.13 ATOM 553 C ILE 33 4.914 -26.145 18.755 1.00 20.32 ATOM 554 O ILE 33 5.897 -25.424 18.588 1.00 34.23 ATOM 555 N ASN 34 4.208 -26.651 17.749 1.00 64.12 ATOM 556 HN ASN 34 3.427 -27.221 17.936 1.00 38.69 ATOM 557 CA ASN 34 4.558 -26.381 16.359 1.00 74.02 ATOM 558 HA ASN 34 5.437 -25.743 16.336 1.00 75.42 ATOM 559 CB ASN 34 4.878 -27.687 15.629 1.00 44.11 ATOM 560 HB1 ASN 34 3.990 -28.120 15.198 1.00 38.69 ATOM 561 HB2 ASN 34 5.287 -28.391 16.342 1.00 24.41 ATOM 562 CG ASN 34 5.914 -27.500 14.537 1.00 3.52 ATOM 563 OD1 ASN 34 7.083 -27.232 14.815 1.00 65.32 ATOM 564 ND2 ASN 34 5.488 -27.639 13.287 1.00 21.12 ATOM 565 HD21 ASN 34 4.542 -27.851 13.121 1.00 34.22 ATOM 566 HD22 ASN 34 6.144 -27.524 12.568 1.00 71.01 ATOM 567 C ASN 34 3.424 -25.652 15.645 1.00 54.32 ATOM 568 O ASN 34 2.529 -26.278 15.075 1.00 22.30 ATOM 569 N LEU 35 3.467 -24.324 15.679 1.00 22.42 ATOM 570 HN LEU 35 4.230 -23.885 16.123 1.00 38.69 ATOM 571 CA LEU 35 2.444 -23.508 15.035 1.00 60.32 ATOM 572 HA LEU 35 1.488 -23.770 15.461 1.00 53.35 ATOM 573 CB LEU 35 2.705 -22.025 15.300 1.00 45.43 ATOM 574 HB1 LEU 35 1.892 -21.449 14.874 1.00 38.69 ATOM 575 HB2 LEU 35 3.614 -21.766 14.774 1.00 52.40 ATOM 576 CG LEU 35 2.884 -21.626 16.765 1.00 42.30 ATOM 577 HG LEU 35 3.363 -22.423 17.313 1.00 73.22 ATOM 578 CD1 LEU 35 3.778 -20.400 16.879 1.00 33.55 ATOM 579 HD11 LEU 35 3.902 -20.134 17.920 1.00 24.15 ATOM 580 HD12 LEU 35 3.324 -19.579 16.349 1.00 40.43 ATOM 581 HD13 LEU 35 4.746 -20.615 16.447 1.00 2.22 ATOM 582 CD2 LEU 35 1.533 -21.366 17.415 1.00 3.45 ATOM 583 HD21 LEU 35 1.034 -20.551 16.908 1.00 51.25 ATOM 584 HD22 LEU 35 1.675 -21.108 18.456 1.00 24.21 ATOM 585 HD23 LEU 35 0.922 -22.256 17.350 1.00 71.13 ATOM 586 C LEU 35 2.406 -23.769 13.532 1.00 34.35 ATOM 587 O LEU 35 1.350 -23.683 12.904 1.00 22.44 ATOM 588 N ARG 36 3.563 -24.090 12.963 1.00 33.31 ATOM 589 HN ARG 36 4.384 -24.123 13.508 1.00 38.69 ATOM 590 CA ARG 36 3.661 -24.365 11.535 1.00 61.13 ATOM 591 HA ARG 36 3.419 -23.454 11.008 1.00 64.34 ATOM 592 CB ARG 36 5.083 -24.799 11.174 1.00 41.52 ATOM 593 HB1 ARG 36 5.235 -25.827 11.472 1.00 38.69 ATOM 594 HB2 ARG 36 5.780 -24.174 11.719 1.00 51.04 ATOM 595 CG ARG 36 5.399 -24.678 9.692 1.00 71.11 ATOM 596 HG1 ARG 36 5.198 -23.674 9.362 1.00 38.69 ATOM 597 HG2 ARG 36 4.774 -25.367 9.146 1.00 62.15 ATOM 598 CD ARG 36 6.855 -25.007 9.404 1.00 24.42 ATOM 599 HD1 ARG 36 7.103 -25.954 9.868 1.00 38.69 ATOM 600 HD2 ARG 36 7.475 -24.229 9.825 1.00 21.23 ATOM 601 NE ARG 36 7.122 -25.104 7.972 1.00 70.15 ATOM 602 HE ARG 36 6.364 -24.989 7.352 1.00 3.43 ATOM 603 CZ ARG 36 8.326 -25.338 7.462 1.00 3.23 ATOM 604 NH1 ARG 36 9.369 -25.498 8.265 1.00 64.31 ATOM 605 HH11 ARG 36 9.273 -25.447 9.258 1.00 75.00 ATOM 606 HH12 ARG 36 10.274 -25.675 7.873 1.00 61.41 ATOM 607 NH2 ARG 36 8.489 -25.412 6.147 1.00 1.15 ATOM 608 HH21 ARG 36 7.705 -25.292 5.535 1.00 1.33 ATOM 609 HH22 ARG 36 9.397 -25.588 5.761 1.00 13.42 ATOM 610 C ARG 36 2.667 -25.446 11.119 1.00 25.13 ATOM 611 O ARG 36 2.141 -25.427 10.006 1.00 3.24 ATOM 612 N LYS 37 2.416 -26.389 12.021 1.00 15.21 ATOM 613 HN LYS 37 2.881 -26.374 12.889 1.00 38.69 ATOM 614 CA LYS 37 1.485 -27.478 11.750 1.00 21.34 ATOM 615 HA LYS 37 1.678 -27.855 10.753 1.00 34.35 ATOM 616 CB LYS 37 1.696 -28.617 12.751 1.00 14.21 ATOM 617 HB1 LYS 37 1.605 -28.222 13.749 1.00 38.69 ATOM 618 HB2 LYS 37 2.697 -29.005 12.621 1.00 3.13 ATOM 619 CG LYS 37 0.720 -29.768 12.576 1.00 24.15 ATOM 620 HG1 LYS 37 1.222 -30.689 12.843 1.00 38.69 ATOM 621 HG2 LYS 37 0.411 -29.825 11.539 1.00 20.20 ATOM 622 CD LYS 37 -0.516 -29.588 13.441 1.00 10.41 ATOM 623 HD1 LYS 37 -1.365 -29.917 12.878 1.00 38.69 ATOM 624 HD2 LYS 37 -0.647 -28.555 13.713 1.00 51.41 ATOM 625 CE LYS 37 -0.428 -30.409 14.718 1.00 70.40 ATOM 626 HE1 LYS 37 -0.910 -29.861 15.511 1.00 38.69 ATOM 627 HE2 LYS 37 0.606 -30.577 14.975 1.00 42.42 ATOM 628 NZ LYS 37 -1.099 -31.731 14.574 1.00 22.13 ATOM 629 HZ1 LYS 37 -0.652 -32.283 13.812 1.00 13.01 ATOM 630 HZ2 LYS 37 -2.108 -31.603 14.350 1.00 23.34 ATOM 631 HZ3 LYS 37 -1.021 -32.266 15.463 1.00 12.11 ATOM 632 C LYS 37 0.041 -26.990 11.816 1.00 5.12 ATOM 633 O LYS 37 -0.840 -27.539 11.155 1.00 61.24 ATOM 634 N ILE 38 -0.192 -25.955 12.616 1.00 33.22 ATOM 635 HN ILE 38 0.546 -25.555 13.107 1.00 38.69 ATOM 636 CA ILE 38 -1.528 -25.392 12.765 1.00 35.13 ATOM 637 HA ILE 38 -2.212 -26.201 12.994 1.00 72.42 ATOM 638 CB ILE 38 -1.582 -24.366 13.913 1.00 73.22 ATOM 639 HB ILE 38 -0.994 -23.502 13.637 1.00 63.15 ATOM 640 CG1 ILE 38 -0.999 -24.969 15.193 1.00 41.35 ATOM 641 HG11 ILE 38 -1.058 -24.246 15.990 1.00 38.69 ATOM 642 HG12 ILE 38 0.035 -25.219 15.035 1.00 21.04 ATOM 643 CG2 ILE 38 -3.013 -23.904 14.143 1.00 12.30 ATOM 644 HG21 ILE 38 -3.352 -23.336 13.290 1.00 5.34 ATOM 645 HG22 ILE 38 -3.057 -23.272 15.019 1.00 13.11 ATOM 646 HG23 ILE 38 -3.663 -24.754 14.283 1.00 4.43 ATOM 647 CD1 ILE 38 -1.704 -26.229 15.643 1.00 12.21 ATOM 648 HD11 ILE 38 -2.755 -26.193 15.415 1.00 34.23 ATOM 649 HD12 ILE 38 -1.588 -26.342 16.705 1.00 15.03 ATOM 650 HD13 ILE 38 -1.262 -27.078 15.148 1.00 32.00 ATOM 651 C ILE 38 -1.989 -24.721 11.476 1.00 11.40 ATOM 652 O ILE 38 -3.014 -25.090 10.904 1.00 51.11 ATOM 653 N ALA 39 -1.223 -23.733 11.023 1.00 33.33 ATOM 654 HN ALA 39 -0.411 -23.483 11.526 1.00 38.69 ATOM 655 CA ALA 39 -1.550 -23.013 9.799 1.00 14.43 ATOM 656 HA ALA 39 -2.488 -22.498 9.953 1.00 75.22 ATOM 657 CB ALA 39 -0.484 -21.969 9.500 1.00 15.15 ATOM 658 HB1 ALA 39 -0.764 -21.403 8.623 1.00 53.42 ATOM 659 HB2 ALA 39 0.465 -22.457 9.326 1.00 45.41 ATOM 660 HB3 ALA 39 -0.393 -21.300 10.343 1.00 71.42 ATOM 661 C ALA 39 -1.701 -23.970 8.622 1.00 63.10 ATOM 662 O ALA 39 -2.463 -23.709 7.692 1.00 44.22 ATOM 663 N GLU 40 -0.969 -25.079 8.669 1.00 4.34 ATOM 664 HN GLU 40 -0.345 -25.224 9.416 1.00 38.69 ATOM 665 CA GLU 40 -1.020 -26.074 7.605 1.00 55.22 ATOM 666 HA GLU 40 -0.828 -25.571 6.664 1.00 31.31 ATOM 667 CB GLU 40 0.043 -27.150 7.830 1.00 21.44 ATOM 668 HB1 GLU 40 -0.302 -28.089 7.407 1.00 38.69 ATOM 669 HB2 GLU 40 0.195 -27.286 8.892 1.00 54.21 ATOM 670 CG GLU 40 1.385 -26.822 7.199 1.00 44.23 ATOM 671 HG1 GLU 40 1.826 -25.992 7.723 1.00 38.69 ATOM 672 HG2 GLU 40 1.226 -26.546 6.165 1.00 53.54 ATOM 673 CD GLU 40 2.348 -27.993 7.232 1.00 3.34 ATOM 674 OE1 GLU 40 3.463 -27.829 7.770 1.00 65.33 ATOM 675 OE2 GLU 40 1.986 -29.073 6.721 1.00 33.01 ATOM 676 C GLU 40 -2.402 -26.717 7.528 1.00 53.42 ATOM 677 O GLU 40 -2.776 -27.291 6.504 1.00 32.24 ATOM 678 N LEU 41 -3.156 -26.616 8.617 1.00 73.21 ATOM 679 HN LEU 41 -2.808 -26.191 9.421 1.00 38.69 ATOM 680 CA LEU 41 -4.497 -27.188 8.674 1.00 13.24 ATOM 681 HA LEU 41 -4.572 -27.990 7.949 1.00 53.14 ATOM 682 CB LEU 41 -4.765 -27.772 10.062 1.00 24.45 ATOM 683 HB1 LEU 41 -5.780 -28.154 10.085 1.00 38.69 ATOM 684 HB2 LEU 41 -4.701 -26.954 10.772 1.00 34.32 ATOM 685 CG LEU 41 -3.815 -28.881 10.518 1.00 10.23 ATOM 686 HG LEU 41 -2.815 -28.667 10.168 1.00 23.41 ATOM 687 CD1 LEU 41 -3.767 -28.952 12.037 1.00 42.54 ATOM 688 HD11 LEU 41 -3.244 -28.089 12.420 1.00 53.35 ATOM 689 HD12 LEU 41 -3.255 -29.849 12.347 1.00 3.33 ATOM 690 HD13 LEU 41 -4.773 -28.966 12.437 1.00 44.31 ATOM 691 CD2 LEU 41 -4.239 -30.220 9.933 1.00 21.24 ATOM 692 HD21 LEU 41 -3.545 -30.989 10.245 1.00 53.41 ATOM 693 HD22 LEU 41 -4.240 -30.160 8.853 1.00 54.31 ATOM 694 HD23 LEU 41 -5.232 -30.472 10.279 1.00 50.35 ATOM 695 C LEU 41 -5.552 -26.137 8.341 1.00 62.43 ATOM 696 O LEU 41 -6.688 -26.216 8.806 1.00 54.52 ATOM 697 N MET 42 -5.167 -25.157 7.530 1.00 11.24 ATOM 698 HN MET 42 -4.265 -25.133 7.165 1.00 38.69 ATOM 699 CA MET 42 -6.081 -24.093 7.132 1.00 40.33 ATOM 700 HA MET 42 -7.047 -24.249 7.598 1.00 42.22 ATOM 701 CB MET 42 -5.548 -22.734 7.592 1.00 32.51 ATOM 702 HB1 MET 42 -6.062 -21.949 7.052 1.00 38.69 ATOM 703 HB2 MET 42 -4.501 -22.673 7.359 1.00 24.11 ATOM 704 CG MET 42 -5.721 -22.487 9.082 1.00 21.30 ATOM 705 HG1 MET 42 -5.004 -21.739 9.385 1.00 38.69 ATOM 706 HG2 MET 42 -5.515 -23.401 9.618 1.00 61.53 ATOM 707 SD MET 42 -7.380 -21.923 9.505 1.00 75.03 ATOM 708 CE MET 42 -7.019 -20.335 10.250 1.00 44.13 ATOM 709 HE1 MET 42 -6.140 -20.414 10.873 1.00 73.41 ATOM 710 HE2 MET 42 -7.861 -20.029 10.847 1.00 4.13 ATOM 711 HE3 MET 42 -6.855 -19.602 9.482 1.00 0.21 ATOM 712 C MET 42 -6.282 -24.087 5.620 1.00 50.04 ATOM 713 O MET 42 -5.831 -23.185 4.913 1.00 72.32 ATOM 714 N PRO 43 -6.974 -25.116 5.110 1.00 75.42 ATOM 715 CA PRO 43 -7.251 -25.252 3.677 1.00 62.24 ATOM 716 HA PRO 43 -6.344 -25.196 3.091 1.00 71.02 ATOM 717 CB PRO 43 -7.847 -26.657 3.562 1.00 75.20 ATOM 718 HB1 PRO 43 -7.058 -27.358 3.335 1.00 38.69 ATOM 719 HB2 PRO 43 -8.598 -26.703 2.783 1.00 43.24 ATOM 720 CG PRO 43 -8.429 -26.933 4.906 1.00 42.43 ATOM 721 HG1 PRO 43 -8.429 -27.996 5.096 1.00 38.69 ATOM 722 HG2 PRO 43 -9.434 -26.541 4.958 1.00 25.03 ATOM 723 CD PRO 43 -7.541 -26.227 5.893 1.00 14.24 ATOM 724 HD1 PRO 43 -6.769 -26.899 6.222 1.00 38.69 ATOM 725 HD2 PRO 43 -8.122 -25.868 6.729 1.00 34.24 ATOM 726 C PRO 43 -8.244 -24.209 3.176 1.00 33.14 ATOM 727 O PRO 43 -9.442 -24.473 3.082 1.00 31.51 ATOM 728 N GLY 44 -7.738 -23.022 2.856 1.00 12.12 ATOM 729 HN GLY 44 -6.772 -22.857 2.948 1.00 38.69 ATOM 730 CA GLY 44 -8.595 -21.957 2.369 1.00 34.11 ATOM 731 HA1 GLY 44 -9.498 -22.368 1.933 1.00 38.69 ATOM 732 HA2 GLY 44 -8.062 -21.419 1.597 1.00 15.02 ATOM 733 C GLY 44 -8.982 -20.979 3.461 1.00 50.24 ATOM 734 O GLY 44 -10.051 -21.097 4.059 1.00 51.54 ATOM 735 N ALA 45 -8.109 -20.011 3.722 1.00 34.20 ATOM 736 HN ALA 45 -7.261 -19.975 3.218 1.00 38.69 ATOM 737 CA ALA 45 -8.365 -19.009 4.749 1.00 53.33 ATOM 738 HA ALA 45 -9.417 -18.749 4.726 1.00 1.33 ATOM 739 CB ALA 45 -8.051 -19.572 6.127 1.00 64.14 ATOM 740 HB1 ALA 45 -8.907 -20.126 6.481 1.00 24.13 ATOM 741 HB2 ALA 45 -7.824 -18.786 6.834 1.00 54.43 ATOM 742 HB3 ALA 45 -7.213 -20.242 6.053 1.00 72.24 ATOM 743 C ALA 45 -7.554 -17.743 4.495 1.00 65.04 ATOM 744 O ALA 45 -6.800 -17.662 3.524 1.00 14.43 ATOM 745 N SER 46 -7.713 -16.757 5.372 1.00 25.41 ATOM 746 HN SER 46 -8.362 -16.854 6.098 1.00 38.69 ATOM 747 CA SER 46 -6.997 -15.493 5.240 1.00 74.52 ATOM 748 HA SER 46 -6.098 -15.653 4.657 1.00 13.54 ATOM 749 CB SER 46 -7.870 -14.462 4.521 1.00 22.42 ATOM 750 HB1 SER 46 -7.255 -13.634 4.201 1.00 38.69 ATOM 751 HB2 SER 46 -8.641 -14.101 5.190 1.00 24.33 ATOM 752 OG SER 46 -8.498 -15.029 3.384 1.00 24.32 ATOM 753 HG SER 46 -9.166 -14.424 3.052 1.00 70.13 ATOM 754 C SER 46 -6.581 -14.959 6.607 1.00 63.42 ATOM 755 O SER 46 -6.897 -15.550 7.639 1.00 3.50 ATOM 756 N GLY 47 -5.868 -13.837 6.605 1.00 41.13 ATOM 757 HN GLY 47 -5.636 -13.401 5.754 1.00 38.69 ATOM 758 CA GLY 47 -5.419 -13.241 7.849 1.00 24.14 ATOM 759 HA1 GLY 47 -4.973 -12.281 7.634 1.00 38.69 ATOM 760 HA2 GLY 47 -4.672 -13.881 8.295 1.00 4.42 ATOM 761 C GLY 47 -6.550 -13.044 8.839 1.00 4.31 ATOM 762 O GLY 47 -6.355 -13.172 10.047 1.00 34.24 ATOM 763 N ALA 48 -7.734 -12.729 8.326 1.00 15.31 ATOM 764 HN ALA 48 -7.830 -12.619 7.351 1.00 38.69 ATOM 765 CA ALA 48 -8.901 -12.513 9.173 1.00 22.34 ATOM 766 HA ALA 48 -8.657 -11.747 9.899 1.00 2.15 ATOM 767 CB ALA 48 -10.072 -12.012 8.342 1.00 71.04 ATOM 768 HB1 ALA 48 -9.783 -11.109 7.825 1.00 4.11 ATOM 769 HB2 ALA 48 -10.913 -11.800 8.988 1.00 3.13 ATOM 770 HB3 ALA 48 -10.353 -12.764 7.618 1.00 12.24 ATOM 771 C ALA 48 -9.284 -13.790 9.915 1.00 40.42 ATOM 772 O ALA 48 -9.654 -13.749 11.088 1.00 40.14 ATOM 773 N GLU 49 -9.193 -14.921 9.222 1.00 13.24 ATOM 774 HN GLU 49 -8.896 -14.895 8.282 1.00 38.69 ATOM 775 CA GLU 49 -9.532 -16.209 9.816 1.00 15.55 ATOM 776 HA GLU 49 -10.474 -16.104 10.331 1.00 31.40 ATOM 777 CB GLU 49 -9.656 -17.279 8.731 1.00 60.54 ATOM 778 HB1 GLU 49 -9.516 -18.261 9.170 1.00 38.69 ATOM 779 HB2 GLU 49 -8.885 -17.121 8.000 1.00 2.15 ATOM 780 CG GLU 49 -10.998 -17.273 8.019 1.00 54.30 ATOM 781 HG1 GLU 49 -10.937 -17.930 7.163 1.00 38.69 ATOM 782 HG2 GLU 49 -11.215 -16.269 7.683 1.00 50.22 ATOM 783 CD GLU 49 -12.133 -17.742 8.909 1.00 0.51 ATOM 784 OE1 GLU 49 -12.601 -18.884 8.720 1.00 20.03 ATOM 785 OE2 GLU 49 -12.553 -16.967 9.794 1.00 41.24 ATOM 786 C GLU 49 -8.483 -16.628 10.842 1.00 15.45 ATOM 787 O GLU 49 -8.784 -17.346 11.796 1.00 63.20 ATOM 788 N VAL 50 -7.251 -16.173 10.639 1.00 22.42 ATOM 789 HN VAL 50 -7.065 -15.596 9.864 1.00 38.69 ATOM 790 CA VAL 50 -6.157 -16.500 11.546 1.00 44.12 ATOM 791 HA VAL 50 -6.122 -17.578 11.663 1.00 25.04 ATOM 792 CB VAL 50 -4.802 -16.032 10.982 1.00 41.22 ATOM 793 HB VAL 50 -4.836 -14.960 10.850 1.00 23.23 ATOM 794 CG1 VAL 50 -3.678 -16.354 11.955 1.00 31.00 ATOM 795 HG11 VAL 50 -3.725 -17.398 12.234 1.00 31.41 ATOM 796 HG12 VAL 50 -3.766 -15.739 12.838 1.00 24.33 ATOM 797 HG13 VAL 50 -2.722 -16.155 11.487 1.00 21.15 ATOM 798 CG2 VAL 50 -4.542 -16.668 9.625 1.00 43.03 ATOM 799 HG21 VAL 50 -5.373 -16.515 8.969 1.00 75.51 ATOM 800 HG22 VAL 50 -4.380 -17.723 9.753 1.00 4.42 ATOM 801 HG23 VAL 50 -3.658 -16.225 9.189 1.00 33.31 ATOM 802 C VAL 50 -6.371 -15.867 12.916 1.00 45.41 ATOM 803 O VAL 50 -6.149 -16.501 13.947 1.00 22.24 ATOM 804 N LYS 51 -6.804 -14.610 12.920 1.00 64.42 ATOM 805 HN LYS 51 -6.951 -14.145 12.062 1.00 38.69 ATOM 806 CA LYS 51 -7.050 -13.889 14.163 1.00 71.41 ATOM 807 HA LYS 51 -6.109 -13.815 14.693 1.00 41.11 ATOM 808 CB LYS 51 -7.572 -12.482 13.865 1.00 33.02 ATOM 809 HB1 LYS 51 -8.617 -12.541 13.585 1.00 38.69 ATOM 810 HB2 LYS 51 -7.021 -12.076 13.025 1.00 34.34 ATOM 811 CG LYS 51 -7.454 -11.528 15.041 1.00 3.02 ATOM 812 HG1 LYS 51 -7.587 -12.075 15.966 1.00 38.69 ATOM 813 HG2 LYS 51 -8.232 -10.781 14.962 1.00 60.33 ATOM 814 CD LYS 51 -6.098 -10.842 15.069 1.00 61.44 ATOM 815 HD1 LYS 51 -5.318 -11.565 14.867 1.00 38.69 ATOM 816 HD2 LYS 51 -5.947 -10.421 16.052 1.00 2.00 ATOM 817 CE LYS 51 -6.018 -9.724 14.041 1.00 61.24 ATOM 818 HE1 LYS 51 -6.967 -9.202 13.999 1.00 38.69 ATOM 819 HE2 LYS 51 -5.804 -10.156 13.075 1.00 12.20 ATOM 820 NZ LYS 51 -4.951 -8.740 14.374 1.00 53.12 ATOM 821 HZ1 LYS 51 -5.137 -8.304 15.301 1.00 75.34 ATOM 822 HZ2 LYS 51 -4.923 -7.990 13.654 1.00 70.42 ATOM 823 HZ3 LYS 51 -4.022 -9.209 14.402 1.00 24.04 ATOM 824 C LYS 51 -8.049 -14.639 15.038 1.00 74.32 ATOM 825 O LYS 51 -7.949 -14.625 16.264 1.00 41.01 ATOM 826 N GLY 52 -9.013 -15.296 14.399 1.00 53.52 ATOM 827 HN GLY 52 -9.070 -15.270 13.419 1.00 38.69 ATOM 828 CA GLY 52 -10.016 -16.043 15.135 1.00 22.20 ATOM 829 HA1 GLY 52 -10.770 -16.385 14.441 1.00 38.69 ATOM 830 HA2 GLY 52 -10.485 -15.394 15.864 1.00 15.40 ATOM 831 C GLY 52 -9.433 -17.246 15.850 1.00 70.23 ATOM 832 O GLY 52 -9.799 -17.538 16.988 1.00 21.43 ATOM 833 N VAL 53 -8.524 -17.948 15.180 1.00 51.42 ATOM 834 HN VAL 53 -8.265 -17.659 14.275 1.00 38.69 ATOM 835 CA VAL 53 -7.890 -19.126 15.758 1.00 62.43 ATOM 836 HA VAL 53 -8.665 -19.843 15.994 1.00 63.34 ATOM 837 CB VAL 53 -6.910 -19.780 14.765 1.00 31.12 ATOM 838 HB VAL 53 -6.142 -19.061 14.515 1.00 21.55 ATOM 839 CG1 VAL 53 -6.240 -20.991 15.396 1.00 64.14 ATOM 840 HG11 VAL 53 -5.628 -20.688 16.231 1.00 10.53 ATOM 841 HG12 VAL 53 -5.610 -21.478 14.663 1.00 53.34 ATOM 842 HG13 VAL 53 -6.991 -21.687 15.732 1.00 31.43 ATOM 843 CG2 VAL 53 -7.631 -20.167 13.483 1.00 43.15 ATOM 844 HG21 VAL 53 -8.523 -20.733 13.718 1.00 74.22 ATOM 845 HG22 VAL 53 -6.979 -20.774 12.875 1.00 22.32 ATOM 846 HG23 VAL 53 -7.901 -19.281 12.938 1.00 55.25 ATOM 847 C VAL 53 -7.140 -18.775 17.038 1.00 72.10 ATOM 848 O VAL 53 -7.332 -19.410 18.076 1.00 55.41 ATOM 849 N CYS 54 -6.286 -17.761 16.957 1.00 12.14 ATOM 850 HN CYS 54 -6.201 -17.282 16.101 1.00 38.69 ATOM 851 CA CYS 54 -5.506 -17.325 18.110 1.00 15.53 ATOM 852 HA CYS 54 -4.823 -18.120 18.371 1.00 63.04 ATOM 853 CB CYS 54 -4.699 -16.073 17.762 1.00 33.01 ATOM 854 HB1 CYS 54 -4.073 -15.808 18.603 1.00 38.69 ATOM 855 HB2 CYS 54 -5.377 -15.257 17.553 1.00 73.12 ATOM 856 SG CYS 54 -3.624 -16.265 16.321 1.00 33.21 ATOM 857 HG CYS 54 -2.458 -16.735 16.740 1.00 52.01 ATOM 858 C CYS 54 -6.412 -17.044 19.305 1.00 74.22 ATOM 859 O CYS 54 -6.062 -17.340 20.448 1.00 63.24 ATOM 860 N THR 55 -7.580 -16.470 19.033 1.00 12.44 ATOM 861 HN THR 55 -7.810 -16.248 18.101 1.00 38.69 ATOM 862 CA THR 55 -8.536 -16.146 20.085 1.00 23.24 ATOM 863 HA THR 55 -7.991 -15.686 20.904 1.00 34.53 ATOM 864 CB THR 55 -9.602 -15.151 19.590 1.00 44.15 ATOM 865 HB THR 55 -10.351 -15.684 19.015 1.00 35.41 ATOM 866 OG1 THR 55 -8.997 -14.166 18.745 1.00 44.25 ATOM 867 HG1 THR 55 -9.657 -13.800 18.150 1.00 13.22 ATOM 868 CG2 THR 55 -10.290 -14.467 20.761 1.00 33.41 ATOM 869 HG21 THR 55 -10.772 -15.208 21.382 1.00 32.44 ATOM 870 HG22 THR 55 -11.031 -13.776 20.387 1.00 62.10 ATOM 871 HG23 THR 55 -9.559 -13.927 21.346 1.00 13.54 ATOM 872 C THR 55 -9.230 -17.401 20.602 1.00 21.03 ATOM 873 O THR 55 -9.313 -17.622 21.810 1.00 65.21 ATOM 874 N GLU 56 -9.727 -18.220 19.680 1.00 3.50 ATOM 875 HN GLU 56 -9.633 -17.988 18.727 1.00 38.69 ATOM 876 CA GLU 56 -10.414 -19.453 20.045 1.00 51.33 ATOM 877 HA GLU 56 -11.273 -19.188 20.645 1.00 70.00 ATOM 878 CB GLU 56 -10.867 -20.201 18.789 1.00 15.51 ATOM 879 HB1 GLU 56 -10.995 -21.249 19.009 1.00 38.69 ATOM 880 HB2 GLU 56 -10.109 -20.089 18.034 1.00 61.23 ATOM 881 CG GLU 56 -12.173 -19.682 18.210 1.00 33.42 ATOM 882 HG1 GLU 56 -12.399 -20.238 17.312 1.00 38.69 ATOM 883 HG2 GLU 56 -12.054 -18.637 17.965 1.00 14.55 ATOM 884 CD GLU 56 -13.336 -19.824 19.174 1.00 65.22 ATOM 885 OE1 GLU 56 -13.319 -20.770 19.989 1.00 2.44 ATOM 886 OE2 GLU 56 -14.262 -18.989 19.112 1.00 40.11 ATOM 887 C GLU 56 -9.512 -20.350 20.886 1.00 24.25 ATOM 888 O GLU 56 -9.949 -20.932 21.879 1.00 45.10 ATOM 889 N ALA 57 -8.250 -20.458 20.482 1.00 53.44 ATOM 890 HN ALA 57 -7.959 -19.981 19.671 1.00 38.69 ATOM 891 CA ALA 57 -7.286 -21.282 21.198 1.00 24.33 ATOM 892 HA ALA 57 -7.595 -22.314 21.108 1.00 3.50 ATOM 893 CB ALA 57 -5.906 -21.147 20.570 1.00 32.25 ATOM 894 HB1 ALA 57 -5.969 -21.378 19.517 1.00 63.43 ATOM 895 HB2 ALA 57 -5.224 -21.834 21.046 1.00 12.41 ATOM 896 HB3 ALA 57 -5.545 -20.135 20.693 1.00 34.45 ATOM 897 C ALA 57 -7.235 -20.909 22.676 1.00 31.41 ATOM 898 O ALA 57 -7.128 -21.777 23.542 1.00 54.21 ATOM 899 N GLY 58 -7.312 -19.612 22.957 1.00 22.14 ATOM 900 HN GLY 58 -7.383 -18.949 22.234 1.00 38.69 ATOM 901 CA GLY 58 -7.272 -19.147 24.332 1.00 73.43 ATOM 902 HA1 GLY 58 -7.105 -18.080 24.330 1.00 38.69 ATOM 903 HA2 GLY 58 -6.451 -19.624 24.853 1.00 15.13 ATOM 904 C GLY 58 -8.561 -19.433 25.078 1.00 65.34 ATOM 905 O GLY 58 -8.543 -19.704 26.278 1.00 14.20 ATOM 906 N MET 59 -9.681 -19.372 24.366 1.00 40.35 ATOM 907 HN MET 59 -9.636 -19.148 23.407 1.00 38.69 ATOM 908 CA MET 59 -10.984 -19.626 24.969 1.00 52.34 ATOM 909 HA MET 59 -11.098 -18.961 25.807 1.00 63.24 ATOM 910 CB MET 59 -12.099 -19.359 23.956 1.00 54.12 ATOM 911 HB1 MET 59 -13.057 -19.547 24.423 1.00 38.69 ATOM 912 HB2 MET 59 -11.979 -20.048 23.128 1.00 51.40 ATOM 913 CG MET 59 -12.079 -17.949 23.387 1.00 35.33 ATOM 914 HG1 MET 59 -12.277 -18.009 22.327 1.00 38.69 ATOM 915 HG2 MET 59 -11.109 -17.495 23.538 1.00 14.33 ATOM 916 SD MET 59 -13.326 -16.882 24.133 1.00 13.35 ATOM 917 CE MET 59 -13.016 -17.165 25.875 1.00 50.53 ATOM 918 HE1 MET 59 -13.270 -18.182 26.131 1.00 24.54 ATOM 919 HE2 MET 59 -13.620 -16.488 26.460 1.00 70.35 ATOM 920 HE3 MET 59 -11.973 -16.988 26.088 1.00 50.23 ATOM 921 C MET 59 -11.077 -21.060 25.478 1.00 21.43 ATOM 922 O MET 59 -11.463 -21.299 26.623 1.00 52.12 ATOM 923 N TYR 60 -10.721 -22.012 24.622 1.00 10.33 ATOM 924 HN TYR 60 -10.417 -21.758 23.717 1.00 38.69 ATOM 925 CA TYR 60 -10.767 -23.423 24.986 1.00 61.04 ATOM 926 HA TYR 60 -11.767 -23.659 25.273 1.00 51.43 ATOM 927 CB TYR 60 -10.388 -24.293 23.786 1.00 52.34 ATOM 928 HB1 TYR 60 -10.415 -25.335 24.081 1.00 38.69 ATOM 929 HB2 TYR 60 -9.382 -24.043 23.474 1.00 64.34 ATOM 930 CG TYR 60 -11.316 -24.130 22.603 1.00 41.22 ATOM 931 CD1 TYR 60 -10.825 -23.763 21.356 1.00 71.14 ATOM 932 HD1 TYR 60 -9.764 -23.594 21.234 1.00 45.41 ATOM 933 CD2 TYR 60 -12.683 -24.341 22.732 1.00 22.44 ATOM 934 HD2 TYR 60 -13.084 -24.621 23.691 1.00 53.42 ATOM 935 CE1 TYR 60 -11.669 -23.612 20.272 1.00 21.22 ATOM 936 HE1 TYR 60 -11.269 -23.330 19.316 1.00 3.24 ATOM 937 CE2 TYR 60 -13.534 -24.194 21.654 1.00 22.32 ATOM 938 HE2 TYR 60 -14.594 -24.364 21.775 1.00 44.12 ATOM 939 CZ TYR 60 -13.022 -23.829 20.426 1.00 32.54 ATOM 940 OH TYR 60 -13.867 -23.681 19.350 1.00 3.42 ATOM 941 HH TYR 60 -14.381 -22.874 19.447 1.00 12.20 ATOM 942 C TYR 60 -9.832 -23.715 26.155 1.00 22.31 ATOM 943 O TYR 60 -10.118 -24.568 26.995 1.00 65.44 ATOM 944 N ALA 61 -8.713 -23.000 26.203 1.00 41.44 ATOM 945 HN ALA 61 -8.527 -22.336 25.499 1.00 38.69 ATOM 946 CA ALA 61 -7.736 -23.179 27.269 1.00 11.15 ATOM 947 HA ALA 61 -7.547 -24.240 27.386 1.00 60.45 ATOM 948 CB ALA 61 -6.420 -22.511 26.898 1.00 73.40 ATOM 949 HB1 ALA 61 -5.686 -22.699 27.669 1.00 12.42 ATOM 950 HB2 ALA 61 -6.569 -21.445 26.794 1.00 51.53 ATOM 951 HB3 ALA 61 -6.066 -22.915 25.961 1.00 13.04 ATOM 952 C ALA 61 -8.258 -22.625 28.591 1.00 52.33 ATOM 953 O ALA 61 -7.869 -23.084 29.665 1.00 35.14 ATOM 954 N LEU 62 -9.140 -21.635 28.504 1.00 10.03 ATOM 955 HN LEU 62 -9.406 -21.294 27.623 1.00 38.69 ATOM 956 CA LEU 62 -9.715 -21.017 29.694 1.00 55.01 ATOM 957 HA LEU 62 -8.924 -20.873 30.420 1.00 3.21 ATOM 958 CB LEU 62 -10.326 -19.659 29.343 1.00 61.13 ATOM 959 HB1 LEU 62 -11.128 -19.441 30.042 1.00 38.69 ATOM 960 HB2 LEU 62 -10.764 -19.738 28.357 1.00 70.34 ATOM 961 CG LEU 62 -9.365 -18.470 29.348 1.00 10.41 ATOM 962 HG LEU 62 -8.464 -18.738 28.813 1.00 34.00 ATOM 963 CD1 LEU 62 -9.989 -17.276 28.641 1.00 63.40 ATOM 964 HD11 LEU 62 -10.890 -16.975 29.158 1.00 12.13 ATOM 965 HD12 LEU 62 -10.232 -17.545 27.622 1.00 24.30 ATOM 966 HD13 LEU 62 -9.288 -16.452 28.633 1.00 4.50 ATOM 967 CD2 LEU 62 -8.977 -18.104 30.773 1.00 23.13 ATOM 968 HD21 LEU 62 -9.862 -17.837 31.335 1.00 71.20 ATOM 969 HD22 LEU 62 -8.295 -17.264 30.759 1.00 3.30 ATOM 970 HD23 LEU 62 -8.492 -18.944 31.247 1.00 2.23 ATOM 971 C LEU 62 -10.777 -21.919 30.317 1.00 44.52 ATOM 972 O LEU 62 -10.779 -22.147 31.526 1.00 24.34 ATOM 973 N ARG 63 -11.676 -22.429 29.482 1.00 22.20 ATOM 974 HN ARG 63 -11.634 -22.183 28.530 1.00 38.69 ATOM 975 CA ARG 63 -12.742 -23.307 29.951 1.00 44.23 ATOM 976 HA ARG 63 -13.280 -22.796 30.739 1.00 44.12 ATOM 977 CB ARG 63 -13.716 -23.614 28.812 1.00 63.41 ATOM 978 HB1 ARG 63 -14.150 -22.681 28.477 1.00 38.69 ATOM 979 HB2 ARG 63 -14.503 -24.248 29.188 1.00 62.33 ATOM 980 CG ARG 63 -13.064 -24.296 27.620 1.00 5.10 ATOM 981 HG1 ARG 63 -12.699 -25.268 27.920 1.00 38.69 ATOM 982 HG2 ARG 63 -12.251 -23.689 27.293 1.00 61.22 ATOM 983 CD ARG 63 -14.040 -24.451 26.464 1.00 4.12 ATOM 984 HD1 ARG 63 -13.729 -23.801 25.663 1.00 38.69 ATOM 985 HD2 ARG 63 -15.037 -24.157 26.771 1.00 42.51 ATOM 986 NE ARG 63 -14.076 -25.821 25.959 1.00 55.30 ATOM 987 HE ARG 63 -13.579 -26.014 25.137 1.00 11.34 ATOM 988 CZ ARG 63 -14.737 -26.807 26.556 1.00 41.41 ATOM 989 NH1 ARG 63 -15.412 -26.575 27.673 1.00 33.41 ATOM 990 HH11 ARG 63 -15.443 -25.674 28.086 1.00 13.34 ATOM 991 HH12 ARG 63 -15.906 -27.327 28.116 1.00 62.30 ATOM 992 NH2 ARG 63 -14.723 -28.027 26.035 1.00 51.12 ATOM 993 HH21 ARG 63 -14.215 -28.208 25.191 1.00 53.15 ATOM 994 HH22 ARG 63 -15.221 -28.773 26.483 1.00 72.13 ATOM 995 C ARG 63 -12.169 -24.606 30.510 1.00 74.11 ATOM 996 O ARG 63 -12.804 -25.274 31.326 1.00 40.23 ATOM 997 N GLU 64 -10.967 -24.958 30.064 1.00 12.55 ATOM 998 HN GLU 64 -10.507 -24.409 29.391 1.00 38.69 ATOM 999 CA GLU 64 -10.311 -26.178 30.520 1.00 51.50 ATOM 1000 HA GLU 64 -11.069 -26.895 30.821 1.00 20.44 ATOM 1001 CB GLU 64 -9.481 -26.790 29.389 1.00 15.53 ATOM 1002 HB1 GLU 64 -8.802 -27.525 29.806 1.00 38.69 ATOM 1003 HB2 GLU 64 -8.902 -26.009 28.918 1.00 13.11 ATOM 1004 CG GLU 64 -10.319 -27.471 28.320 1.00 22.54 ATOM 1005 HG1 GLU 64 -10.698 -26.728 27.642 1.00 38.69 ATOM 1006 HG2 GLU 64 -11.151 -27.979 28.791 1.00 44.20 ATOM 1007 CD GLU 64 -9.530 -28.494 27.526 1.00 71.31 ATOM 1008 OE1 GLU 64 -8.443 -28.143 27.022 1.00 3.10 ATOM 1009 OE2 GLU 64 -10.000 -29.645 27.408 1.00 61.14 ATOM 1010 C GLU 64 -9.419 -25.898 31.726 1.00 11.21 ATOM 1011 O GLU 64 -8.586 -26.723 32.100 1.00 21.40 ATOM 1012 N ARG 65 -9.600 -24.728 32.330 1.00 52.32 ATOM 1013 HN ARG 65 -10.259 -24.091 32.010 1.00 38.69 ATOM 1014 CA ARG 65 -8.811 -24.338 33.492 1.00 13.41 ATOM 1015 HA ARG 65 -9.018 -23.299 33.700 1.00 24.02 ATOM 1016 CB ARG 65 -9.205 -25.179 34.708 1.00 40.51 ATOM 1017 HB1 ARG 65 -8.737 -24.762 35.588 1.00 38.69 ATOM 1018 HB2 ARG 65 -8.851 -26.193 34.569 1.00 4.54 ATOM 1019 CG ARG 65 -10.705 -25.240 34.946 1.00 61.32 ATOM 1020 HG1 ARG 65 -10.893 -25.843 35.822 1.00 38.69 ATOM 1021 HG2 ARG 65 -11.183 -25.691 34.090 1.00 41.34 ATOM 1022 CD ARG 65 -11.291 -23.855 35.167 1.00 14.25 ATOM 1023 HD1 ARG 65 -11.344 -23.344 34.217 1.00 38.69 ATOM 1024 HD2 ARG 65 -10.640 -23.304 35.837 1.00 74.14 ATOM 1025 NE ARG 65 -12.629 -23.914 35.751 1.00 41.40 ATOM 1026 HE ARG 65 -13.085 -24.788 35.775 1.00 74.13 ATOM 1027 CZ ARG 65 -13.262 -22.855 36.245 1.00 74.54 ATOM 1028 NH1 ARG 65 -12.683 -21.663 36.225 1.00 72.02 ATOM 1029 HH11 ARG 65 -11.771 -21.531 35.842 1.00 65.30 ATOM 1030 HH12 ARG 65 -13.169 -20.871 36.602 1.00 1.41 ATOM 1031 NH2 ARG 65 -14.478 -22.989 36.759 1.00 73.01 ATOM 1032 HH21 ARG 65 -14.921 -23.887 36.776 1.00 32.33 ATOM 1033 HH22 ARG 65 -14.958 -22.192 37.133 1.00 31.42 ATOM 1034 C ARG 65 -7.319 -24.494 33.214 1.00 52.12 ATOM 1035 O ARG 65 -6.581 -25.049 34.027 1.00 23.15 ATOM 1036 N ARG 66 -6.883 -24.001 32.059 1.00 31.11 ATOM 1037 HN ARG 66 -7.512 -23.559 31.444 1.00 38.69 ATOM 1038 CA ARG 66 -5.480 -24.088 31.673 1.00 40.52 ATOM 1039 HA ARG 66 -4.920 -24.576 32.464 1.00 54.21 ATOM 1040 CB ARG 66 -5.331 -24.913 30.394 1.00 71.15 ATOM 1041 HB1 ARG 66 -4.309 -24.825 30.041 1.00 38.69 ATOM 1042 HB2 ARG 66 -5.993 -24.521 29.641 1.00 5.50 ATOM 1043 CG ARG 66 -5.643 -26.389 30.581 1.00 15.31 ATOM 1044 HG1 ARG 66 -6.712 -26.507 30.635 1.00 38.69 ATOM 1045 HG2 ARG 66 -5.192 -26.740 31.500 1.00 42.10 ATOM 1046 CD ARG 66 -5.108 -27.223 29.428 1.00 51.54 ATOM 1047 HD1 ARG 66 -4.104 -27.530 29.682 1.00 38.69 ATOM 1048 HD2 ARG 66 -5.085 -26.627 28.523 1.00 51.30 ATOM 1049 NE ARG 66 -5.927 -28.407 29.182 1.00 41.42 ATOM 1050 HE ARG 66 -6.832 -28.431 29.570 1.00 31.33 ATOM 1051 CZ ARG 66 -5.519 -29.446 28.463 1.00 64.13 ATOM 1052 NH1 ARG 66 -4.308 -29.448 27.922 1.00 51.11 ATOM 1053 HH11 ARG 66 -3.682 -28.680 28.036 1.00 74.31 ATOM 1054 HH12 ARG 66 -4.009 -30.239 27.384 1.00 64.52 ATOM 1055 NH2 ARG 66 -6.322 -30.487 28.284 1.00 63.21 ATOM 1056 HH21 ARG 66 -7.238 -30.492 28.690 1.00 1.52 ATOM 1057 HH22 ARG 66 -6.016 -31.272 27.741 1.00 44.25 ATOM 1058 C ARG 66 -4.886 -22.697 31.466 1.00 74.24 ATOM 1059 O ARG 66 -5.600 -21.747 31.143 1.00 35.54 ATOM 1060 N VAL 67 -3.575 -22.585 31.653 1.00 32.13 ATOM 1061 HN VAL 67 -3.056 -23.373 31.936 1.00 38.69 ATOM 1062 CA VAL 67 -2.885 -21.312 31.487 1.00 52.54 ATOM 1063 HA VAL 67 -3.618 -20.521 31.368 1.00 32.33 ATOM 1064 CB VAL 67 -2.024 -20.974 32.718 1.00 31.33 ATOM 1065 HB VAL 67 -1.234 -21.709 32.801 1.00 45.50 ATOM 1066 CG1 VAL 67 -1.382 -19.604 32.562 1.00 34.05 ATOM 1067 HG11 VAL 67 -2.142 -18.865 32.346 1.00 0.13 ATOM 1068 HG12 VAL 67 -0.664 -19.621 31.767 1.00 2.45 ATOM 1069 HG13 VAL 67 -0.877 -19.333 33.480 1.00 14.42 ATOM 1070 CG2 VAL 67 -2.861 -21.039 33.987 1.00 52.11 ATOM 1071 HG21 VAL 67 -3.682 -20.339 33.918 1.00 55.24 ATOM 1072 HG22 VAL 67 -2.246 -20.786 34.840 1.00 75.11 ATOM 1073 HG23 VAL 67 -3.250 -22.038 34.117 1.00 75.43 ATOM 1074 C VAL 67 -1.997 -21.326 30.248 1.00 41.24 ATOM 1075 O VAL 67 -1.700 -20.279 29.671 1.00 12.11 ATOM 1076 N HIS 68 -1.575 -22.519 29.842 1.00 33.52 ATOM 1077 HN HIS 68 -1.851 -23.326 30.318 1.00 38.69 ATOM 1078 CA HIS 68 -0.721 -22.671 28.670 1.00 41.23 ATOM 1079 HA HIS 68 -0.413 -21.700 28.333 1.00 54.44 ATOM 1080 CB HIS 68 0.532 -23.472 29.025 1.00 33.23 ATOM 1081 HB1 HIS 68 1.173 -22.869 29.640 1.00 38.69 ATOM 1082 HB2 HIS 68 1.066 -23.741 28.124 1.00 30.50 ATOM 1083 CG HIS 68 0.242 -24.731 29.784 1.00 43.22 ATOM 1084 ND1 HIS 68 0.409 -24.843 31.148 1.00 43.31 ATOM 1085 HD1 HIS 68 0.725 -24.134 31.746 1.00 61.33 ATOM 1086 CD2 HIS 68 -0.207 -25.936 29.361 1.00 12.41 ATOM 1087 HD2 HIS 68 -0.445 -26.210 28.343 1.00 31.24 ATOM 1088 CE1 HIS 68 0.077 -26.062 31.531 1.00 33.44 ATOM 1089 HE1 HIS 68 0.108 -26.436 32.544 1.00 13.33 ATOM 1090 NE2 HIS 68 -0.301 -26.746 30.466 1.00 15.50 ATOM 1091 HE2 HIS 68 -0.505 -27.705 30.453 1.00 38.69 ATOM 1092 C HIS 68 -1.473 -23.358 27.534 1.00 14.02 ATOM 1093 O HIS 68 -2.063 -24.423 27.721 1.00 2.41 ATOM 1094 N VAL 69 -1.450 -22.741 26.357 1.00 61.42 ATOM 1095 HN VAL 69 -0.949 -21.899 26.261 1.00 38.69 ATOM 1096 CA VAL 69 -2.129 -23.294 25.191 1.00 54.40 ATOM 1097 HA VAL 69 -3.072 -23.722 25.523 1.00 11.12 ATOM 1098 CB VAL 69 -2.446 -22.199 24.155 1.00 40.31 ATOM 1099 HB VAL 69 -1.514 -21.821 23.753 1.00 30.41 ATOM 1100 CG1 VAL 69 -3.261 -22.771 23.005 1.00 11.12 ATOM 1101 HG11 VAL 69 -4.210 -23.117 23.380 1.00 30.12 ATOM 1102 HG12 VAL 69 -2.735 -23.588 22.535 1.00 41.41 ATOM 1103 HG13 VAL 69 -3.432 -21.997 22.271 1.00 72.00 ATOM 1104 CG2 VAL 69 -3.178 -21.039 24.813 1.00 41.21 ATOM 1105 HG21 VAL 69 -4.092 -21.396 25.267 1.00 72.00 ATOM 1106 HG22 VAL 69 -3.418 -20.292 24.068 1.00 24.45 ATOM 1107 HG23 VAL 69 -2.552 -20.592 25.570 1.00 61.54 ATOM 1108 C VAL 69 -1.288 -24.378 24.527 1.00 34.22 ATOM 1109 O VAL 69 -0.115 -24.168 24.218 1.00 21.21 ATOM 1110 N THR 70 -1.896 -25.540 24.309 1.00 31.55 ATOM 1111 HN THR 70 -2.836 -25.652 24.569 1.00 38.69 ATOM 1112 CA THR 70 -1.204 -26.659 23.683 1.00 63.32 ATOM 1113 HA THR 70 -0.142 -26.526 23.796 1.00 64.31 ATOM 1114 CB THR 70 -1.585 -27.997 24.344 1.00 71.43 ATOM 1115 HB THR 70 -0.896 -28.757 24.006 1.00 11.02 ATOM 1116 OG1 THR 70 -2.915 -28.370 23.965 1.00 41.43 ATOM 1117 HG1 THR 70 -3.560 -28.013 24.579 1.00 34.33 ATOM 1118 CG2 THR 70 -1.493 -27.898 25.859 1.00 73.01 ATOM 1119 HG21 THR 70 -1.697 -28.867 26.291 1.00 22.22 ATOM 1120 HG22 THR 70 -2.220 -27.188 26.222 1.00 12.11 ATOM 1121 HG23 THR 70 -0.504 -27.580 26.149 1.00 51.14 ATOM 1122 C THR 70 -1.516 -26.734 22.193 1.00 74.33 ATOM 1123 O THR 70 -2.449 -26.091 21.712 1.00 2.34 ATOM 1124 N GLN 71 -0.731 -27.524 21.467 1.00 35.21 ATOM 1125 HN GLN 71 0.005 -28.011 21.910 1.00 38.69 ATOM 1126 CA GLN 71 -0.926 -27.683 20.031 1.00 41.53 ATOM 1127 HA GLN 71 -0.689 -26.742 19.557 1.00 62.34 ATOM 1128 CB GLN 71 0.009 -28.762 19.484 1.00 24.40 ATOM 1129 HB1 GLN 71 -0.215 -29.698 19.978 1.00 38.69 ATOM 1130 HB2 GLN 71 1.030 -28.489 19.715 1.00 45.23 ATOM 1131 CG GLN 71 -0.121 -28.978 17.985 1.00 45.22 ATOM 1132 HG1 GLN 71 -1.150 -28.880 17.675 1.00 38.69 ATOM 1133 HG2 GLN 71 0.208 -29.984 17.767 1.00 21.43 ATOM 1134 CD GLN 71 0.718 -28.004 17.180 1.00 11.05 ATOM 1135 OE1 GLN 71 0.594 -26.788 17.332 1.00 25.20 ATOM 1136 NE2 GLN 71 1.578 -28.534 16.319 1.00 73.25 ATOM 1137 HE21 GLN 71 1.651 -29.507 16.250 1.00 32.53 ATOM 1138 HE22 GLN 71 2.097 -27.925 15.777 1.00 35.11 ATOM 1139 C GLN 71 -2.374 -28.040 19.714 1.00 53.45 ATOM 1140 O GLN 71 -2.997 -27.431 18.844 1.00 42.10 ATOM 1141 N GLU 72 -2.904 -29.030 20.424 1.00 21.35 ATOM 1142 HN GLU 72 -2.352 -29.488 21.103 1.00 38.69 ATOM 1143 CA GLU 72 -4.279 -29.468 20.217 1.00 71.42 ATOM 1144 HA GLU 72 -4.340 -29.909 19.240 1.00 61.42 ATOM 1145 CB GLU 72 -4.667 -30.517 21.262 1.00 51.24 ATOM 1146 HB1 GLU 72 -5.741 -30.502 21.411 1.00 38.69 ATOM 1147 HB2 GLU 72 -4.186 -30.267 22.200 1.00 0.35 ATOM 1148 CG GLU 72 -4.278 -31.934 20.875 1.00 11.14 ATOM 1149 HG1 GLU 72 -3.295 -31.924 20.420 1.00 38.69 ATOM 1150 HG2 GLU 72 -4.998 -32.309 20.163 1.00 1.24 ATOM 1151 CD GLU 72 -4.243 -32.874 22.065 1.00 43.12 ATOM 1152 OE1 GLU 72 -4.975 -32.618 23.044 1.00 63.30 ATOM 1153 OE2 GLU 72 -3.484 -33.864 22.017 1.00 64.01 ATOM 1154 C GLU 72 -5.242 -28.287 20.284 1.00 55.12 ATOM 1155 O GLU 72 -6.186 -28.196 19.498 1.00 61.20 ATOM 1156 N ASP 73 -4.998 -27.385 21.228 1.00 41.34 ATOM 1157 HN ASP 73 -4.226 -27.511 21.829 1.00 38.69 ATOM 1158 CA ASP 73 -5.843 -26.208 21.398 1.00 64.20 ATOM 1159 HA ASP 73 -6.862 -26.542 21.544 1.00 4.45 ATOM 1160 CB ASP 73 -5.405 -25.414 22.630 1.00 41.25 ATOM 1161 HB1 ASP 73 -6.068 -24.572 22.771 1.00 38.69 ATOM 1162 HB2 ASP 73 -4.407 -25.060 22.478 1.00 61.13 ATOM 1163 CG ASP 73 -5.419 -26.251 23.893 1.00 3.14 ATOM 1164 OD1 ASP 73 -4.591 -25.985 24.790 1.00 61.14 ATOM 1165 OD2 ASP 73 -6.257 -27.173 23.986 1.00 4.50 ATOM 1166 C ASP 73 -5.792 -25.319 20.159 1.00 31.04 ATOM 1167 O ASP 73 -6.789 -24.700 19.786 1.00 44.12 ATOM 1168 N PHE 74 -4.625 -25.260 19.527 1.00 2.41 ATOM 1169 HN PHE 74 -3.856 -25.759 19.880 1.00 38.69 ATOM 1170 CA PHE 74 -4.444 -24.444 18.332 1.00 65.54 ATOM 1171 HA PHE 74 -4.846 -23.456 18.531 1.00 44.14 ATOM 1172 CB PHE 74 -2.957 -24.326 17.990 1.00 62.43 ATOM 1173 HB1 PHE 74 -2.862 -24.248 16.926 1.00 38.69 ATOM 1174 HB2 PHE 74 -2.427 -25.202 18.325 1.00 44.42 ATOM 1175 CG PHE 74 -2.299 -23.115 18.587 1.00 63.42 ATOM 1176 CD1 PHE 74 -1.678 -23.187 19.823 1.00 24.03 ATOM 1177 HD1 PHE 74 -1.675 -24.122 20.363 1.00 52.11 ATOM 1178 CD2 PHE 74 -2.301 -21.906 17.911 1.00 2.44 ATOM 1179 HD2 PHE 74 -2.782 -21.834 16.945 1.00 75.41 ATOM 1180 CE1 PHE 74 -1.072 -22.074 20.375 1.00 11.02 ATOM 1181 HE1 PHE 74 -0.597 -22.146 21.340 1.00 1.14 ATOM 1182 CE2 PHE 74 -1.696 -20.789 18.458 1.00 35.22 ATOM 1183 HE2 PHE 74 -1.704 -19.852 17.921 1.00 41.35 ATOM 1184 CZ PHE 74 -1.080 -20.874 19.691 1.00 14.13 ATOM 1185 HZ PHE 74 -0.607 -20.003 20.121 1.00 54.14 ATOM 1186 C PHE 74 -5.203 -25.037 17.149 1.00 74.43 ATOM 1187 O PHE 74 -6.026 -24.366 16.528 1.00 55.14 ATOM 1188 N GLU 75 -4.920 -26.300 16.844 1.00 41.24 ATOM 1189 HN GLU 75 -4.235 -26.768 17.372 1.00 38.69 ATOM 1190 CA GLU 75 -5.575 -26.983 15.734 1.00 14.34 ATOM 1191 HA GLU 75 -5.420 -26.397 14.837 1.00 12.44 ATOM 1192 CB GLU 75 -4.963 -28.370 15.527 1.00 53.41 ATOM 1193 HB1 GLU 75 -3.957 -28.247 15.152 1.00 38.69 ATOM 1194 HB2 GLU 75 -5.544 -28.906 14.785 1.00 43.01 ATOM 1195 CG GLU 75 -4.893 -29.200 16.797 1.00 20.13 ATOM 1196 HG1 GLU 75 -5.796 -29.079 17.362 1.00 38.69 ATOM 1197 HG2 GLU 75 -4.057 -28.871 17.378 1.00 71.21 ATOM 1198 CD GLU 75 -4.720 -30.680 16.518 1.00 73.54 ATOM 1199 OE1 GLU 75 -5.696 -31.316 16.067 1.00 74.20 ATOM 1200 OE2 GLU 75 -3.610 -31.203 16.749 1.00 33.14 ATOM 1201 C GLU 75 -7.076 -27.109 15.984 1.00 43.14 ATOM 1202 O GLU 75 -7.875 -27.085 15.048 1.00 21.41 ATOM 1203 N MET 76 -7.450 -27.243 17.252 1.00 64.52 ATOM 1204 HN MET 76 -6.768 -27.265 17.963 1.00 38.69 ATOM 1205 CA MET 76 -8.854 -27.373 17.625 1.00 45.15 ATOM 1206 HA MET 76 -9.235 -28.263 17.149 1.00 14.32 ATOM 1207 CB MET 76 -8.991 -27.488 19.144 1.00 74.12 ATOM 1208 HB1 MET 76 -9.889 -26.984 19.470 1.00 38.69 ATOM 1209 HB2 MET 76 -8.154 -26.996 19.615 1.00 1.41 ATOM 1210 CG MET 76 -9.041 -28.923 19.642 1.00 35.24 ATOM 1211 HG1 MET 76 -8.998 -28.916 20.721 1.00 38.69 ATOM 1212 HG2 MET 76 -8.191 -29.463 19.254 1.00 32.24 ATOM 1213 SD MET 76 -10.541 -29.784 19.131 1.00 62.31 ATOM 1214 CE MET 76 -11.798 -28.726 19.843 1.00 75.22 ATOM 1215 HE1 MET 76 -11.515 -28.458 20.850 1.00 41.32 ATOM 1216 HE2 MET 76 -12.741 -29.252 19.863 1.00 24.23 ATOM 1217 HE3 MET 76 -11.899 -27.832 19.246 1.00 50.34 ATOM 1218 C MET 76 -9.662 -26.183 17.118 1.00 75.24 ATOM 1219 O MET 76 -10.727 -26.353 16.524 1.00 42.54 ATOM 1220 N ALA 77 -9.151 -24.980 17.357 1.00 64.35 ATOM 1221 HN ALA 77 -8.295 -24.906 17.843 1.00 38.69 ATOM 1222 CA ALA 77 -9.825 -23.763 16.923 1.00 60.15 ATOM 1223 HA ALA 77 -10.821 -23.759 17.339 1.00 73.54 ATOM 1224 CB ALA 77 -9.090 -22.538 17.445 1.00 41.43 ATOM 1225 HB1 ALA 77 -9.436 -21.655 16.934 1.00 12.40 ATOM 1226 HB2 ALA 77 -8.031 -22.658 17.279 1.00 1.12 ATOM 1227 HB3 ALA 77 -9.272 -22.437 18.503 1.00 73.30 ATOM 1228 C ALA 77 -9.935 -23.709 15.403 1.00 50.44 ATOM 1229 O ALA 77 -10.922 -23.213 14.859 1.00 42.42 ATOM 1230 N VAL 78 -8.915 -24.221 14.721 1.00 32.22 ATOM 1231 HN VAL 78 -8.157 -24.614 15.209 1.00 38.69 ATOM 1232 CA VAL 78 -8.898 -24.231 13.263 1.00 23.24 ATOM 1233 HA VAL 78 -8.975 -23.207 12.917 1.00 23.05 ATOM 1234 CB VAL 78 -7.585 -24.828 12.722 1.00 71.21 ATOM 1235 HB VAL 78 -7.494 -25.842 13.074 1.00 21.30 ATOM 1236 CG1 VAL 78 -7.601 -24.861 11.201 1.00 23.32 ATOM 1237 HG11 VAL 78 -7.933 -25.838 10.884 1.00 71.34 ATOM 1238 HG12 VAL 78 -6.615 -24.682 10.804 1.00 33.22 ATOM 1239 HG13 VAL 78 -8.285 -24.125 10.819 1.00 51.23 ATOM 1240 CG2 VAL 78 -6.390 -24.039 13.234 1.00 40.40 ATOM 1241 HG21 VAL 78 -6.371 -24.055 14.303 1.00 74.20 ATOM 1242 HG22 VAL 78 -6.457 -23.015 12.894 1.00 52.11 ATOM 1243 HG23 VAL 78 -5.477 -24.481 12.856 1.00 62.11 ATOM 1244 C VAL 78 -10.073 -25.026 12.705 1.00 0.31 ATOM 1245 O VAL 78 -10.788 -24.557 11.820 1.00 10.53 ATOM 1246 N ALA 79 -10.267 -26.232 13.229 1.00 40.42 ATOM 1247 HN ALA 79 -9.658 -26.556 13.936 1.00 38.69 ATOM 1248 CA ALA 79 -11.357 -27.091 12.785 1.00 54.13 ATOM 1249 HA ALA 79 -11.257 -27.241 11.717 1.00 45.21 ATOM 1250 CB ALA 79 -11.265 -28.452 13.459 1.00 40.21 ATOM 1251 HB1 ALA 79 -11.381 -28.338 14.528 1.00 21.44 ATOM 1252 HB2 ALA 79 -10.300 -28.890 13.249 1.00 73.04 ATOM 1253 HB3 ALA 79 -12.043 -29.100 13.079 1.00 33.12 ATOM 1254 C ALA 79 -12.712 -26.449 13.067 1.00 63.50 ATOM 1255 O ALA 79 -13.703 -26.748 12.401 1.00 70.42 ATOM 1256 N LYS 80 -12.748 -25.567 14.059 1.00 4.52 ATOM 1257 HN LYS 80 -11.941 -25.387 14.587 1.00 38.69 ATOM 1258 CA LYS 80 -13.980 -24.882 14.430 1.00 11.53 ATOM 1259 HA LYS 80 -14.802 -25.583 14.351 1.00 53.53 ATOM 1260 CB LYS 80 -13.899 -24.389 15.877 1.00 24.41 ATOM 1261 HB1 LYS 80 -13.080 -23.688 15.958 1.00 38.69 ATOM 1262 HB2 LYS 80 -13.686 -25.234 16.517 1.00 74.34 ATOM 1263 CG LYS 80 -15.161 -23.692 16.354 1.00 22.24 ATOM 1264 HG1 LYS 80 -15.772 -23.373 15.520 1.00 38.69 ATOM 1265 HG2 LYS 80 -14.868 -22.821 16.922 1.00 32.24 ATOM 1266 CD LYS 80 -15.984 -24.590 17.262 1.00 35.12 ATOM 1267 HD1 LYS 80 -16.658 -23.968 17.834 1.00 38.69 ATOM 1268 HD2 LYS 80 -15.333 -25.126 17.941 1.00 63.12 ATOM 1269 CE LYS 80 -16.802 -25.593 16.462 1.00 42.41 ATOM 1270 HE1 LYS 80 -16.199 -26.472 16.291 1.00 38.69 ATOM 1271 HE2 LYS 80 -17.083 -25.160 15.510 1.00 2.42 ATOM 1272 NZ LYS 80 -18.043 -25.994 17.179 1.00 35.41 ATOM 1273 HZ1 LYS 80 -18.578 -26.678 16.606 1.00 30.44 ATOM 1274 HZ2 LYS 80 -18.646 -25.163 17.353 1.00 13.44 ATOM 1275 HZ3 LYS 80 -17.807 -26.436 18.092 1.00 54.05 ATOM 1276 C LYS 80 -14.252 -23.706 13.497 1.00 64.11 ATOM 1277 O LYS 80 -15.341 -23.583 12.937 1.00 33.54 ATOM 1278 N VAL 81 -13.253 -22.844 13.332 1.00 30.21 ATOM 1279 HN VAL 81 -12.395 -23.016 13.783 1.00 38.69 ATOM 1280 CA VAL 81 -13.383 -21.680 12.464 1.00 15.01 ATOM 1281 HA VAL 81 -14.281 -21.142 12.751 1.00 44.32 ATOM 1282 CB VAL 81 -12.182 -20.728 12.617 1.00 32.25 ATOM 1283 HB VAL 81 -11.288 -21.244 12.293 1.00 73.53 ATOM 1284 CG1 VAL 81 -12.362 -19.496 11.744 1.00 61.35 ATOM 1285 HG11 VAL 81 -13.331 -19.049 11.926 1.00 72.43 ATOM 1286 HG12 VAL 81 -12.285 -19.785 10.718 1.00 23.15 ATOM 1287 HG13 VAL 81 -11.587 -18.773 11.964 1.00 50.32 ATOM 1288 CG2 VAL 81 -11.997 -20.335 14.075 1.00 30.44 ATOM 1289 HG21 VAL 81 -12.866 -19.786 14.413 1.00 62.04 ATOM 1290 HG22 VAL 81 -11.123 -19.707 14.170 1.00 31.10 ATOM 1291 HG23 VAL 81 -11.870 -21.202 14.688 1.00 35.14 ATOM 1292 C VAL 81 -13.506 -22.095 11.002 1.00 25.23 ATOM 1293 O VAL 81 -14.135 -21.405 10.201 1.00 2.11 ATOM 1294 N MET 82 -12.900 -23.228 10.662 1.00 23.12 ATOM 1295 HN MET 82 -12.405 -23.744 11.339 1.00 38.69 ATOM 1296 CA MET 82 -12.942 -23.737 9.296 1.00 12.40 ATOM 1297 HA MET 82 -13.042 -22.903 8.616 1.00 53.15 ATOM 1298 CB MET 82 -11.654 -24.496 8.971 1.00 12.24 ATOM 1299 HB1 MET 82 -11.747 -24.952 7.992 1.00 38.69 ATOM 1300 HB2 MET 82 -11.515 -25.278 9.700 1.00 52.04 ATOM 1301 CG MET 82 -10.415 -23.615 8.965 1.00 71.35 ATOM 1302 HG1 MET 82 -9.546 -24.241 8.825 1.00 38.69 ATOM 1303 HG2 MET 82 -10.340 -23.106 9.914 1.00 53.41 ATOM 1304 SD MET 82 -10.450 -22.377 7.655 1.00 54.24 ATOM 1305 CE MET 82 -10.283 -23.414 6.204 1.00 41.42 ATOM 1306 HE1 MET 82 -9.945 -24.400 6.487 1.00 54.42 ATOM 1307 HE2 MET 82 -9.563 -22.974 5.532 1.00 72.45 ATOM 1308 HE3 MET 82 -11.238 -23.491 5.706 1.00 23.33 ATOM 1309 C MET 82 -14.148 -24.648 9.092 1.00 14.14 ATOM 1310 O MET 82 -14.661 -24.774 7.981 1.00 42.13 ATOM 1311 N GLN 83 -14.596 -25.280 10.172 1.00 24.44 ATOM 1312 HN GLN 83 -14.148 -25.167 11.038 1.00 38.69 ATOM 1313 CA GLN 83 -15.741 -26.181 10.110 1.00 0.44 ATOM 1314 HA GLN 83 -15.912 -26.568 11.103 1.00 22.32 ATOM 1315 CB GLN 83 -16.988 -25.423 9.651 1.00 1.44 ATOM 1316 HB1 GLN 83 -17.838 -26.088 9.728 1.00 38.69 ATOM 1317 HB2 GLN 83 -16.875 -25.122 8.620 1.00 34.33 ATOM 1318 CG GLN 83 -17.284 -24.181 10.478 1.00 63.34 ATOM 1319 HG1 GLN 83 -16.491 -23.464 10.318 1.00 38.69 ATOM 1320 HG2 GLN 83 -17.308 -24.458 11.524 1.00 61.42 ATOM 1321 CD GLN 83 -18.603 -23.534 10.106 1.00 13.01 ATOM 1322 OE1 GLN 83 -18.909 -23.353 8.927 1.00 31.02 ATOM 1323 NE2 GLN 83 -19.394 -23.181 11.113 1.00 61.01 ATOM 1324 HE21 GLN 83 -19.101 -23.348 12.037 1.00 53.01 ATOM 1325 HE22 GLN 83 -20.252 -22.761 10.892 1.00 52.12 ATOM 1326 C GLN 83 -15.466 -27.348 9.168 1.00 4.12 ATOM 1327 O GLN 83 -16.385 -27.906 8.569 1.00 63.41 ATOM 1328 N LYS 84 -14.194 -27.712 9.041 1.00 30.05 ATOM 1329 HN LYS 84 -13.493 -27.262 9.561 1.00 38.69 ATOM 1330 CA LYS 84 -13.796 -28.814 8.173 1.00 11.40 ATOM 1331 HA LYS 84 -14.675 -29.196 7.662 1.00 43.33 ATOM 1332 CB LYS 84 -12.796 -28.326 7.122 1.00 20.13 ATOM 1333 HB1 LYS 84 -12.179 -29.157 6.798 1.00 38.69 ATOM 1334 HB2 LYS 84 -12.157 -27.574 7.568 1.00 75.24 ATOM 1335 CG LYS 84 -13.452 -27.729 5.889 1.00 22.40 ATOM 1336 HG1 LYS 84 -14.078 -26.903 6.198 1.00 38.69 ATOM 1337 HG2 LYS 84 -14.068 -28.483 5.416 1.00 2.32 ATOM 1338 CD LYS 84 -12.418 -27.213 4.902 1.00 11.35 ATOM 1339 HD1 LYS 84 -11.584 -26.776 5.438 1.00 38.69 ATOM 1340 HD2 LYS 84 -12.879 -26.454 4.286 1.00 32.12 ATOM 1341 CE LYS 84 -11.901 -28.325 4.003 1.00 21.23 ATOM 1342 HE1 LYS 84 -11.799 -29.240 4.573 1.00 38.69 ATOM 1343 HE2 LYS 84 -10.932 -28.035 3.625 1.00 73.01 ATOM 1344 NZ LYS 84 -12.807 -28.570 2.847 1.00 31.53 ATOM 1345 HZ1 LYS 84 -13.754 -28.848 3.181 1.00 15.10 ATOM 1346 HZ2 LYS 84 -12.426 -29.334 2.254 1.00 23.34 ATOM 1347 HZ3 LYS 84 -12.894 -27.710 2.266 1.00 22.02 ATOM 1348 C LYS 84 -13.184 -29.952 8.984 1.00 42.55 ATOM 1349 O LYS 84 -12.274 -29.736 9.785 1.00 35.00 ATOM 1350 N ASP 85 -13.687 -31.162 8.769 1.00 62.14 ATOM 1351 HN ASP 85 -14.420 -31.279 8.124 1.00 38.69 ATOM 1352 CA ASP 85 -13.187 -32.335 9.477 1.00 13.55 ATOM 1353 HA ASP 85 -12.391 -32.030 10.148 1.00 1.53 ATOM 1354 CB ASP 85 -14.307 -32.975 10.299 1.00 23.43 ATOM 1355 HB1 ASP 85 -14.935 -33.583 9.660 1.00 38.69 ATOM 1356 HB2 ASP 85 -14.910 -32.193 10.740 1.00 52.33 ATOM 1357 CG ASP 85 -13.776 -33.846 11.421 1.00 2.33 ATOM 1358 OD1 ASP 85 -14.337 -33.786 12.536 1.00 41.44 ATOM 1359 OD2 ASP 85 -12.800 -34.588 11.185 1.00 3.40 ATOM 1360 C ASP 85 -12.608 -33.354 8.501 1.00 14.03 ATOM 1361 O ASP 85 -11.503 -33.858 8.698 1.00 21.30 ATOM 1362 N SER 86 -13.364 -33.653 7.449 1.00 24.42 ATOM 1363 HN SER 86 -14.241 -33.219 7.337 1.00 38.69 ATOM 1364 HA SER 86 -12.174 -35.264 6.879 1.00 65.14 ATOM 1365 CB SER 86 -14.104 -35.486 5.998 1.00 73.35 ATOM 1366 HB1 SER 86 -13.757 -36.229 5.292 1.00 38.69 ATOM 1367 HB2 SER 86 -14.854 -34.866 5.527 1.00 1.43 ATOM 1368 OG SER 86 -14.697 -36.149 7.101 1.00 61.11 ATOM 1369 HG SER 86 -14.177 -36.924 7.330 1.00 62.32 ATOM 1370 CA SER 86 -12.928 -34.616 6.445 1.00 61.52 ATOM 1371 C SER 86 -12.319 -33.906 5.240 1.00 64.53 ATOM 1372 OT1 SER 86 -13.002 -33.038 4.652 1.00 38.69 ATOM 1373 OT2 SER 86 -11.161 -34.221 4.891 1.00 38.69 ATOM 1374 OH2 TIP3 1 -20.654 -38.678 12.591 0.00 0.00 WAT1 ATOM 1375 H1 TIP3 1 -21.306 -37.983 12.680 0.00 0.00 WAT1 ATOM 1376 H2 TIP3 1 -20.189 -38.468 11.781 0.00 0.00 WAT1 ATOM 1377 OH2 TIP3 2 -19.941 -32.337 16.102 0.00 0.00 WAT1 ATOM 1378 H1 TIP3 2 -19.990 -33.292 16.065 0.00 0.00 WAT1 ATOM 1379 H2 TIP3 2 -20.767 -32.069 16.504 0.00 0.00 WAT1 ATOM 1380 OH2 TIP3 3 -22.659 -28.469 17.209 0.00 0.00 WAT1 ATOM 1381 H1 TIP3 3 -22.459 -28.045 16.374 0.00 0.00 WAT1 ATOM 1382 H2 TIP3 3 -22.003 -28.126 17.816 0.00 0.00 WAT1 ATOM 1383 OH2 TIP3 4 -20.396 -35.296 16.045 0.00 0.00 WAT1 ATOM 1384 H1 TIP3 4 -21.248 -35.058 15.678 0.00 0.00 WAT1 ATOM 1385 H2 TIP3 4 -19.806 -35.313 15.292 0.00 0.00 WAT1 ATOM 1386 OH2 TIP3 5 -20.168 -29.854 1.695 0.00 0.00 WAT1 ATOM 1387 H1 TIP3 5 -19.425 -29.268 1.555 0.00 0.00 WAT1 ATOM 1388 H2 TIP3 5 -20.863 -29.286 2.028 0.00 0.00 WAT1 ATOM 1389 OH2 TIP3 6 -22.946 -30.457 10.856 0.00 0.00 WAT1 ATOM 1390 H1 TIP3 6 -23.102 -29.779 10.199 0.00 0.00 WAT1 ATOM 1391 H2 TIP3 6 -22.014 -30.385 11.059 0.00 0.00 WAT1 ATOM 1392 OH2 TIP3 7 -20.230 -29.807 11.085 0.00 0.00 WAT1 ATOM 1393 H1 TIP3 7 -20.252 -29.622 12.024 0.00 0.00 WAT1 ATOM 1394 H2 TIP3 7 -19.540 -29.238 10.744 0.00 0.00 WAT1 ATOM 1395 OH2 TIP3 8 -20.667 -30.240 14.007 0.00 0.00 WAT1 ATOM 1396 H1 TIP3 8 -21.154 -30.975 13.636 0.00 0.00 WAT1 ATOM 1397 H2 TIP3 8 -20.118 -30.633 14.685 0.00 0.00 WAT1 ATOM 1398 OH2 TIP3 9 -20.915 -36.193 4.159 0.00 0.00 WAT1 ATOM 1399 H1 TIP3 9 -20.065 -35.772 4.287 0.00 0.00 WAT1 ATOM 1400 H2 TIP3 9 -20.910 -36.933 4.767 0.00 0.00 WAT1 ATOM 1401 OH2 TIP3 10 -20.521 -38.140 5.983 0.00 0.00 WAT1 ATOM 1402 H1 TIP3 10 -21.247 -38.619 6.381 0.00 0.00 WAT1 ATOM 1403 H2 TIP3 10 -19.940 -37.934 6.715 0.00 0.00 WAT1 ATOM 1404 OH2 TIP3 11 -20.762 -35.355 10.931 0.00 0.00 WAT1 ATOM 1405 H1 TIP3 11 -19.928 -35.733 10.650 0.00 0.00 WAT1 ATOM 1406 H2 TIP3 11 -20.650 -34.412 10.812 0.00 0.00 WAT1 ATOM 1407 OH2 TIP3 12 -20.253 -38.239 2.374 0.00 0.00 WAT1 ATOM 1408 H1 TIP3 12 -20.774 -37.882 1.655 0.00 0.00 WAT1 ATOM 1409 H2 TIP3 12 -20.286 -37.564 3.052 0.00 0.00 WAT1 ATOM 1410 OH2 TIP3 13 -23.492 -29.717 6.657 0.00 0.00 WAT1 ATOM 1411 H1 TIP3 13 -22.839 -30.064 6.049 0.00 0.00 WAT1 ATOM 1412 H2 TIP3 13 -22.981 -29.228 7.303 0.00 0.00 WAT1 ATOM 1413 OH2 TIP3 14 -23.641 -28.621 12.952 0.00 0.00 WAT1 ATOM 1414 H1 TIP3 14 -23.823 -27.705 12.741 0.00 0.00 WAT1 ATOM 1415 H2 TIP3 14 -23.465 -29.031 12.105 0.00 0.00 WAT1 ATOM 1416 OH2 TIP3 15 -21.512 -29.937 4.665 0.00 0.00 WAT1 ATOM 1417 H1 TIP3 15 -21.706 -30.685 4.100 0.00 0.00 WAT1 ATOM 1418 H2 TIP3 15 -21.551 -29.179 4.081 0.00 0.00 WAT1 ATOM 1419 OH2 TIP3 16 -22.294 -31.186 16.815 0.00 0.00 WAT1 ATOM 1420 H1 TIP3 16 -23.076 -31.372 16.295 0.00 0.00 WAT1 ATOM 1421 H2 TIP3 16 -22.366 -30.257 17.032 0.00 0.00 WAT1 ATOM 1422 OH2 TIP3 17 -20.858 -32.568 19.980 0.00 0.00 WAT1 ATOM 1423 H1 TIP3 17 -20.785 -31.629 20.150 0.00 0.00 WAT1 ATOM 1424 H2 TIP3 17 -19.953 -32.873 19.923 0.00 0.00 WAT1 ATOM 1425 OH2 TIP3 18 -20.168 -29.854 20.551 0.00 0.00 WAT1 ATOM 1426 H1 TIP3 18 -19.425 -29.268 20.411 0.00 0.00 WAT1 ATOM 1427 H2 TIP3 18 -20.863 -29.286 20.884 0.00 0.00 WAT1 ATOM 1428 OH2 TIP3 19 -20.230 -29.807 29.941 0.00 0.00 WAT1 ATOM 1429 H1 TIP3 19 -20.252 -29.622 30.880 0.00 0.00 WAT1 ATOM 1430 H2 TIP3 19 -19.540 -29.238 29.600 0.00 0.00 WAT1 ATOM 1431 OH2 TIP3 20 -21.512 -29.937 23.521 0.00 0.00 WAT1 ATOM 1432 H1 TIP3 20 -21.706 -30.685 22.956 0.00 0.00 WAT1 ATOM 1433 H2 TIP3 20 -21.551 -29.179 22.937 0.00 0.00 WAT1 ATOM 1434 OH2 TIP3 21 -19.941 -13.481 -2.754 0.00 0.00 WAT1 ATOM 1435 H1 TIP3 21 -19.990 -14.436 -2.791 0.00 0.00 WAT1 ATOM 1436 H2 TIP3 21 -20.767 -13.213 -2.352 0.00 0.00 WAT1 ATOM 1437 OH2 TIP3 22 -28.962 -13.907 -3.878 0.00 0.00 WAT1 ATOM 1438 H1 TIP3 22 -28.875 -13.081 -3.403 0.00 0.00 WAT1 ATOM 1439 H2 TIP3 22 -29.826 -14.237 -3.629 0.00 0.00 WAT1 ATOM 1440 OH2 TIP3 23 -26.091 -14.485 -4.015 0.00 0.00 WAT1 ATOM 1441 H1 TIP3 23 -26.992 -14.302 -4.283 0.00 0.00 WAT1 ATOM 1442 H2 TIP3 23 -26.057 -14.226 -3.094 0.00 0.00 WAT1 ATOM 1443 OH2 TIP3 24 -20.396 -16.440 -2.811 0.00 0.00 WAT1 ATOM 1444 H1 TIP3 24 -21.248 -16.202 -3.178 0.00 0.00 WAT1 ATOM 1445 H2 TIP3 24 -19.806 -16.457 -3.564 0.00 0.00 WAT1 ATOM 1446 OH2 TIP3 25 -24.216 -11.855 -3.967 0.00 0.00 WAT1 ATOM 1447 H1 TIP3 25 -24.818 -12.410 -4.462 0.00 0.00 WAT1 ATOM 1448 H2 TIP3 25 -23.935 -11.188 -4.593 0.00 0.00 WAT1 ATOM 1449 OH2 TIP3 26 -32.635 -12.011 -0.152 0.00 0.00 WAT1 ATOM 1450 H1 TIP3 26 -31.867 -12.470 0.189 0.00 0.00 WAT1 ATOM 1451 H2 TIP3 26 -32.656 -12.237 -1.082 0.00 0.00 WAT1 ATOM 1452 OH2 TIP3 27 -26.058 -13.631 -1.423 0.00 0.00 WAT1 ATOM 1453 H1 TIP3 27 -26.409 -14.487 -1.180 0.00 0.00 WAT1 ATOM 1454 H2 TIP3 27 -25.332 -13.488 -0.816 0.00 0.00 WAT1 ATOM 1455 OH2 TIP3 28 -20.230 -10.951 -7.771 0.00 0.00 WAT1 ATOM 1456 H1 TIP3 28 -20.252 -10.766 -6.832 0.00 0.00 WAT1 ATOM 1457 H2 TIP3 28 -19.540 -10.382 -8.112 0.00 0.00 WAT1 ATOM 1458 OH2 TIP3 29 -20.667 -11.384 -4.849 0.00 0.00 WAT1 ATOM 1459 H1 TIP3 29 -21.154 -12.119 -5.220 0.00 0.00 WAT1 ATOM 1460 H2 TIP3 29 -20.118 -11.777 -4.171 0.00 0.00 WAT1 ATOM 1461 OH2 TIP3 30 -22.216 -15.594 -0.211 0.00 0.00 WAT1 ATOM 1462 H1 TIP3 30 -23.082 -15.699 0.183 0.00 0.00 WAT1 ATOM 1463 H2 TIP3 30 -21.840 -14.835 0.236 0.00 0.00 WAT1 ATOM 1464 OH2 TIP3 31 -22.275 -13.621 -5.618 0.00 0.00 WAT1 ATOM 1465 H1 TIP3 31 -22.923 -13.296 -4.993 0.00 0.00 WAT1 ATOM 1466 H2 TIP3 31 -22.793 -14.061 -6.293 0.00 0.00 WAT1 ATOM 1467 OH2 TIP3 32 -20.100 -27.882 -0.282 0.00 0.00 WAT1 ATOM 1468 H1 TIP3 32 -19.750 -28.536 -0.888 0.00 0.00 WAT1 ATOM 1469 H2 TIP3 32 -19.953 -27.045 -0.722 0.00 0.00 WAT1 ATOM 1470 OH2 TIP3 33 -28.842 -11.558 -2.438 0.00 0.00 WAT1 ATOM 1471 H1 TIP3 33 -28.657 -11.892 -1.560 0.00 0.00 WAT1 ATOM 1472 H2 TIP3 33 -27.995 -11.249 -2.760 0.00 0.00 WAT1 ATOM 1473 OH2 TIP3 34 -26.497 -10.273 -3.194 0.00 0.00 WAT1 ATOM 1474 H1 TIP3 34 -25.820 -10.905 -3.434 0.00 0.00 WAT1 ATOM 1475 H2 TIP3 34 -26.175 -9.871 -2.386 0.00 0.00 WAT1 ATOM 1476 OH2 TIP3 35 -26.246 -11.335 -6.199 0.00 0.00 WAT1 ATOM 1477 H1 TIP3 35 -27.150 -11.170 -6.465 0.00 0.00 WAT1 ATOM 1478 H2 TIP3 35 -25.817 -10.482 -6.265 0.00 0.00 WAT1 ATOM 1479 OH2 TIP3 36 -23.641 -9.765 -5.904 0.00 0.00 WAT1 ATOM 1480 H1 TIP3 36 -23.823 -8.849 -6.115 0.00 0.00 WAT1 ATOM 1481 H2 TIP3 36 -23.465 -10.175 -6.751 0.00 0.00 WAT1 ATOM 1482 OH2 TIP3 37 -22.294 -12.330 -2.041 0.00 0.00 WAT1 ATOM 1483 H1 TIP3 37 -23.076 -12.516 -2.561 0.00 0.00 WAT1 ATOM 1484 H2 TIP3 37 -22.366 -11.401 -1.824 0.00 0.00 WAT1 ATOM 1485 OH2 TIP3 38 -26.994 -11.145 8.778 0.00 0.00 WAT1 ATOM 1486 H1 TIP3 38 -26.374 -11.822 8.505 0.00 0.00 WAT1 ATOM 1487 H2 TIP3 38 -27.202 -11.363 9.686 0.00 0.00 WAT1 ATOM 1488 OH2 TIP3 39 -26.281 -22.362 10.998 0.00 0.00 WAT1 ATOM 1489 H1 TIP3 39 -26.138 -23.309 11.018 0.00 0.00 WAT1 ATOM 1490 H2 TIP3 39 -26.387 -22.155 10.069 0.00 0.00 WAT1 ATOM 1491 OH2 TIP3 40 -25.404 -24.130 6.671 0.00 0.00 WAT1 ATOM 1492 H1 TIP3 40 -24.758 -24.459 7.296 0.00 0.00 WAT1 ATOM 1493 H2 TIP3 40 -24.894 -23.612 6.048 0.00 0.00 WAT1 ATOM 1494 OH2 TIP3 41 -26.947 -15.843 5.888 0.00 0.00 WAT1 ATOM 1495 H1 TIP3 41 -27.243 -16.165 5.037 0.00 0.00 WAT1 ATOM 1496 H2 TIP3 41 -27.271 -14.943 5.930 0.00 0.00 WAT1 ATOM 1497 OH2 TIP3 42 -23.640 -24.839 8.652 0.00 0.00 WAT1 ATOM 1498 H1 TIP3 42 -23.855 -25.605 9.184 0.00 0.00 WAT1 ATOM 1499 H2 TIP3 42 -22.984 -24.367 9.165 0.00 0.00 WAT1 ATOM 1500 OH2 TIP3 43 -23.293 -26.124 12.331 0.00 0.00 WAT1 ATOM 1501 H1 TIP3 43 -24.029 -25.513 12.293 0.00 0.00 WAT1 ATOM 1502 H2 TIP3 43 -22.609 -25.709 11.805 0.00 0.00 WAT1 ATOM 1503 OH2 TIP3 44 -25.341 -12.629 7.539 0.00 0.00 WAT1 ATOM 1504 H1 TIP3 44 -24.916 -13.336 7.054 0.00 0.00 WAT1 ATOM 1505 H2 TIP3 44 -25.024 -11.828 7.122 0.00 0.00 WAT1 ATOM 1506 OH2 TIP3 45 -24.182 -14.728 6.048 0.00 0.00 WAT1 ATOM 1507 H1 TIP3 45 -24.439 -15.418 5.436 0.00 0.00 WAT1 ATOM 1508 H2 TIP3 45 -24.111 -15.171 6.893 0.00 0.00 WAT1 ATOM 1509 OH2 TIP3 46 -24.720 -20.816 14.317 0.00 0.00 WAT1 ATOM 1510 H1 TIP3 46 -24.640 -20.053 14.889 0.00 0.00 WAT1 ATOM 1511 H2 TIP3 46 -25.321 -20.537 13.626 0.00 0.00 WAT1 ATOM 1512 OH2 TIP3 47 -28.020 -13.091 6.369 0.00 0.00 WAT1 ATOM 1513 H1 TIP3 47 -27.546 -12.796 7.147 0.00 0.00 WAT1 ATOM 1514 H2 TIP3 47 -28.583 -12.353 6.136 0.00 0.00 WAT1 ATOM 1515 OH2 TIP3 48 -22.789 -21.988 16.582 0.00 0.00 WAT1 ATOM 1516 H1 TIP3 48 -23.196 -21.507 15.862 0.00 0.00 WAT1 ATOM 1517 H2 TIP3 48 -22.748 -22.893 16.275 0.00 0.00 WAT1 ATOM 1518 OH2 TIP3 49 -25.032 -23.656 14.803 0.00 0.00 WAT1 ATOM 1519 H1 TIP3 49 -25.546 -23.782 15.600 0.00 0.00 WAT1 ATOM 1520 H2 TIP3 49 -25.187 -22.744 14.558 0.00 0.00 WAT1 ATOM 1521 OH2 TIP3 50 -26.393 -22.085 8.213 0.00 0.00 WAT1 ATOM 1522 H1 TIP3 50 -26.588 -21.480 7.498 0.00 0.00 WAT1 ATOM 1523 H2 TIP3 50 -26.211 -22.919 7.778 0.00 0.00 WAT1 ATOM 1524 OH2 TIP3 51 -25.946 -25.285 10.932 0.00 0.00 WAT1 ATOM 1525 H1 TIP3 51 -26.623 -25.154 11.596 0.00 0.00 WAT1 ATOM 1526 H2 TIP3 51 -26.432 -25.440 10.122 0.00 0.00 WAT1 ATOM 1527 OH2 TIP3 52 -22.711 -17.998 12.440 0.00 0.00 WAT1 ATOM 1528 H1 TIP3 52 -22.069 -17.541 11.897 0.00 0.00 WAT1 ATOM 1529 H2 TIP3 52 -23.541 -17.885 11.978 0.00 0.00 WAT1 ATOM 1530 OH2 TIP3 53 -27.735 -15.672 2.679 0.00 0.00 WAT1 ATOM 1531 H1 TIP3 53 -28.030 -14.846 3.061 0.00 0.00 WAT1 ATOM 1532 H2 TIP3 53 -28.438 -16.292 2.875 0.00 0.00 WAT1 ATOM 1533 OH2 TIP3 54 -20.360 -22.240 3.208 0.00 0.00 WAT1 ATOM 1534 H1 TIP3 54 -20.914 -22.636 2.536 0.00 0.00 WAT1 ATOM 1535 H2 TIP3 54 -20.259 -21.330 2.931 0.00 0.00 WAT1 ATOM 1536 OH2 TIP3 55 -20.396 -16.440 16.045 0.00 0.00 WAT1 ATOM 1537 H1 TIP3 55 -21.248 -16.202 15.678 0.00 0.00 WAT1 ATOM 1538 H2 TIP3 55 -19.806 -16.457 15.292 0.00 0.00 WAT1 ATOM 1539 OH2 TIP3 56 -24.904 -18.646 10.695 0.00 0.00 WAT1 ATOM 1540 H1 TIP3 56 -25.832 -18.878 10.668 0.00 0.00 WAT1 ATOM 1541 H2 TIP3 56 -24.453 -19.423 10.365 0.00 0.00 WAT1 ATOM 1542 OH2 TIP3 57 -32.250 -11.633 5.949 0.00 0.00 WAT1 ATOM 1543 H1 TIP3 57 -33.200 -11.528 6.001 0.00 0.00 WAT1 ATOM 1544 H2 TIP3 57 -31.899 -10.813 6.294 0.00 0.00 WAT1 ATOM 1545 OH2 TIP3 58 -24.672 -15.478 1.494 0.00 0.00 WAT1 ATOM 1546 H1 TIP3 58 -24.319 -15.858 2.298 0.00 0.00 WAT1 ATOM 1547 H2 TIP3 58 -25.621 -15.571 1.580 0.00 0.00 WAT1 ATOM 1548 OH2 TIP3 59 -23.806 -16.805 3.720 0.00 0.00 WAT1 ATOM 1549 H1 TIP3 59 -24.083 -17.533 4.276 0.00 0.00 WAT1 ATOM 1550 H2 TIP3 59 -22.879 -16.686 3.926 0.00 0.00 WAT1 ATOM 1551 OH2 TIP3 60 -30.581 -14.366 -0.059 0.00 0.00 WAT1 ATOM 1552 H1 TIP3 60 -30.342 -15.114 -0.607 0.00 0.00 WAT1 ATOM 1553 H2 TIP3 60 -30.850 -14.754 0.773 0.00 0.00 WAT1 ATOM 1554 OH2 TIP3 61 -31.644 -14.796 2.397 0.00 0.00 WAT1 ATOM 1555 H1 TIP3 61 -31.497 -15.316 3.187 0.00 0.00 WAT1 ATOM 1556 H2 TIP3 61 -31.647 -13.889 2.703 0.00 0.00 WAT1 ATOM 1557 OH2 TIP3 62 -28.906 -13.098 3.146 0.00 0.00 WAT1 ATOM 1558 H1 TIP3 62 -29.723 -12.601 3.199 0.00 0.00 WAT1 ATOM 1559 H2 TIP3 62 -28.377 -12.623 2.506 0.00 0.00 WAT1 ATOM 1560 OH2 TIP3 63 -31.568 -12.055 3.128 0.00 0.00 WAT1 ATOM 1561 H1 TIP3 63 -31.407 -11.255 2.627 0.00 0.00 WAT1 ATOM 1562 H2 TIP3 63 -31.765 -11.748 4.013 0.00 0.00 WAT1 ATOM 1563 OH2 TIP3 64 -22.635 -24.608 15.138 0.00 0.00 WAT1 ATOM 1564 H1 TIP3 64 -23.551 -24.345 15.050 0.00 0.00 WAT1 ATOM 1565 H2 TIP3 64 -22.299 -24.611 14.241 0.00 0.00 WAT1 ATOM 1566 OH2 TIP3 65 -24.033 -20.857 9.234 0.00 0.00 WAT1 ATOM 1567 H1 TIP3 65 -24.830 -21.272 8.905 0.00 0.00 WAT1 ATOM 1568 H2 TIP3 65 -23.588 -21.548 9.725 0.00 0.00 WAT1 ATOM 1569 OH2 TIP3 66 -28.543 -12.503 0.079 0.00 0.00 WAT1 ATOM 1570 H1 TIP3 66 -29.187 -13.134 0.401 0.00 0.00 WAT1 ATOM 1571 H2 TIP3 66 -27.781 -13.034 -0.153 0.00 0.00 WAT1 ATOM 1572 OH2 TIP3 67 -27.632 -15.729 -0.094 0.00 0.00 WAT1 ATOM 1573 H1 TIP3 67 -27.900 -15.549 0.807 0.00 0.00 WAT1 ATOM 1574 H2 TIP3 67 -27.838 -16.655 -0.225 0.00 0.00 WAT1 ATOM 1575 OH2 TIP3 68 -21.374 -18.206 0.184 0.00 0.00 WAT1 ATOM 1576 H1 TIP3 68 -21.647 -18.631 -0.629 0.00 0.00 WAT1 ATOM 1577 H2 TIP3 68 -21.334 -17.275 -0.033 0.00 0.00 WAT1 ATOM 1578 OH2 TIP3 69 -25.374 -25.647 18.483 0.00 0.00 WAT1 ATOM 1579 H1 TIP3 69 -25.471 -26.599 18.477 0.00 0.00 WAT1 ATOM 1580 H2 TIP3 69 -25.696 -25.378 19.344 0.00 0.00 WAT1 ATOM 1581 OH2 TIP3 70 -20.915 -17.337 4.159 0.00 0.00 WAT1 ATOM 1582 H1 TIP3 70 -20.065 -16.916 4.287 0.00 0.00 WAT1 ATOM 1583 H2 TIP3 70 -20.910 -18.077 4.767 0.00 0.00 WAT1 ATOM 1584 OH2 TIP3 71 -20.521 -19.284 5.983 0.00 0.00 WAT1 ATOM 1585 H1 TIP3 71 -21.247 -19.763 6.381 0.00 0.00 WAT1 ATOM 1586 H2 TIP3 71 -19.940 -19.078 6.715 0.00 0.00 WAT1 ATOM 1587 OH2 TIP3 72 -20.762 -16.499 10.931 0.00 0.00 WAT1 ATOM 1588 H1 TIP3 72 -19.928 -16.877 10.650 0.00 0.00 WAT1 ATOM 1589 H2 TIP3 72 -20.650 -15.556 10.812 0.00 0.00 WAT1 ATOM 1590 OH2 TIP3 73 -20.253 -19.383 2.374 0.00 0.00 WAT1 ATOM 1591 H1 TIP3 73 -20.774 -19.026 1.655 0.00 0.00 WAT1 ATOM 1592 H2 TIP3 73 -20.286 -18.708 3.052 0.00 0.00 WAT1 ATOM 1593 OH2 TIP3 74 -22.734 -20.763 6.546 0.00 0.00 WAT1 ATOM 1594 H1 TIP3 74 -22.884 -21.708 6.526 0.00 0.00 WAT1 ATOM 1595 H2 TIP3 74 -23.088 -20.482 7.390 0.00 0.00 WAT1 ATOM 1596 OH2 TIP3 75 -21.878 -18.793 16.185 0.00 0.00 WAT1 ATOM 1597 H1 TIP3 75 -21.295 -19.527 16.376 0.00 0.00 WAT1 ATOM 1598 H2 TIP3 75 -21.314 -18.021 16.231 0.00 0.00 WAT1 ATOM 1599 OH2 TIP3 76 -20.381 -20.890 16.869 0.00 0.00 WAT1 ATOM 1600 H1 TIP3 76 -21.244 -21.269 16.704 0.00 0.00 WAT1 ATOM 1601 H2 TIP3 76 -19.777 -21.629 16.795 0.00 0.00 WAT1 ATOM 1602 OH2 TIP3 77 -23.024 -23.180 5.008 0.00 0.00 WAT1 ATOM 1603 H1 TIP3 77 -22.744 -24.087 5.133 0.00 0.00 WAT1 ATOM 1604 H2 TIP3 77 -22.265 -22.746 4.619 0.00 0.00 WAT1 ATOM 1605 OH2 TIP3 78 -22.410 -25.917 5.057 0.00 0.00 WAT1 ATOM 1606 H1 TIP3 78 -22.228 -26.366 5.882 0.00 0.00 WAT1 ATOM 1607 H2 TIP3 78 -23.010 -26.502 4.593 0.00 0.00 WAT1 ATOM 1608 OH2 TIP3 79 -20.544 -25.850 1.585 0.00 0.00 WAT1 ATOM 1609 H1 TIP3 79 -20.131 -26.571 1.109 0.00 0.00 WAT1 ATOM 1610 H2 TIP3 79 -19.862 -25.180 1.643 0.00 0.00 WAT1 ATOM 1611 OH2 TIP3 80 -23.492 -10.861 6.657 0.00 0.00 WAT1 ATOM 1612 H1 TIP3 80 -22.839 -11.208 6.049 0.00 0.00 WAT1 ATOM 1613 H2 TIP3 80 -22.981 -10.372 7.303 0.00 0.00 WAT1 ATOM 1614 OH2 TIP3 81 -21.579 -27.683 14.742 0.00 0.00 WAT1 ATOM 1615 H1 TIP3 81 -22.392 -27.358 14.354 0.00 0.00 WAT1 ATOM 1616 H2 TIP3 81 -21.346 -28.443 14.209 0.00 0.00 WAT1 ATOM 1617 OH2 TIP3 82 -23.007 -28.127 9.177 0.00 0.00 WAT1 ATOM 1618 H1 TIP3 82 -22.403 -27.579 8.676 0.00 0.00 WAT1 ATOM 1619 H2 TIP3 82 -23.876 -27.807 8.937 0.00 0.00 WAT1 ATOM 1620 OH2 TIP3 83 -21.280 -26.988 7.511 0.00 0.00 WAT1 ATOM 1621 H1 TIP3 83 -20.668 -27.502 6.984 0.00 0.00 WAT1 ATOM 1622 H2 TIP3 83 -20.897 -26.110 7.534 0.00 0.00 WAT1 ATOM 1623 OH2 TIP3 84 -25.470 -28.403 18.122 0.00 0.00 WAT1 ATOM 1624 H1 TIP3 84 -25.394 -28.829 18.976 0.00 0.00 WAT1 ATOM 1625 H2 TIP3 84 -24.577 -28.389 17.780 0.00 0.00 WAT1 ATOM 1626 OH2 TIP3 85 -20.759 -25.155 30.387 0.00 0.00 WAT1 ATOM 1627 H1 TIP3 85 -20.710 -24.545 31.123 0.00 0.00 WAT1 ATOM 1628 H2 TIP3 85 -20.333 -24.694 29.664 0.00 0.00 WAT1 ATOM 1629 OH2 TIP3 86 -20.367 -23.677 32.623 0.00 0.00 WAT1 ATOM 1630 H1 TIP3 86 -21.056 -23.019 32.528 0.00 0.00 WAT1 ATOM 1631 H2 TIP3 86 -20.352 -23.874 33.560 0.00 0.00 WAT1 ATOM 1632 OH2 TIP3 87 -22.048 -28.078 21.603 0.00 0.00 WAT1 ATOM 1633 H1 TIP3 87 -22.947 -27.939 21.898 0.00 0.00 WAT1 ATOM 1634 H2 TIP3 87 -21.796 -27.247 21.201 0.00 0.00 WAT1 ATOM 1635 OH2 TIP3 88 -20.360 -22.240 22.064 0.00 0.00 WAT1 ATOM 1636 H1 TIP3 88 -20.914 -22.636 21.392 0.00 0.00 WAT1 ATOM 1637 H2 TIP3 88 -20.259 -21.330 21.787 0.00 0.00 WAT1 ATOM 1638 OH2 TIP3 89 -21.374 -18.206 19.040 0.00 0.00 WAT1 ATOM 1639 H1 TIP3 89 -21.647 -18.631 18.227 0.00 0.00 WAT1 ATOM 1640 H2 TIP3 89 -21.334 -17.275 18.823 0.00 0.00 WAT1 ATOM 1641 OH2 TIP3 90 -20.915 -17.337 23.015 0.00 0.00 WAT1 ATOM 1642 H1 TIP3 90 -20.065 -16.916 23.143 0.00 0.00 WAT1 ATOM 1643 H2 TIP3 90 -20.910 -18.077 23.623 0.00 0.00 WAT1 ATOM 1644 OH2 TIP3 91 -20.521 -19.284 24.839 0.00 0.00 WAT1 ATOM 1645 H1 TIP3 91 -21.247 -19.763 25.237 0.00 0.00 WAT1 ATOM 1646 H2 TIP3 91 -19.940 -19.078 25.571 0.00 0.00 WAT1 ATOM 1647 OH2 TIP3 92 -20.253 -19.383 21.230 0.00 0.00 WAT1 ATOM 1648 H1 TIP3 92 -20.774 -19.026 20.511 0.00 0.00 WAT1 ATOM 1649 H2 TIP3 92 -20.286 -18.708 21.908 0.00 0.00 WAT1 ATOM 1650 OH2 TIP3 93 -21.904 -22.143 19.781 0.00 0.00 WAT1 ATOM 1651 H1 TIP3 93 -21.807 -21.476 19.101 0.00 0.00 WAT1 ATOM 1652 H2 TIP3 93 -22.044 -22.959 19.299 0.00 0.00 WAT1 ATOM 1653 OH2 TIP3 94 -20.381 -20.890 35.725 0.00 0.00 WAT1 ATOM 1654 H1 TIP3 94 -21.244 -21.269 35.560 0.00 0.00 WAT1 ATOM 1655 H2 TIP3 94 -19.777 -21.629 35.651 0.00 0.00 WAT1 ATOM 1656 OH2 TIP3 95 -22.656 -24.735 18.898 0.00 0.00 WAT1 ATOM 1657 H1 TIP3 95 -22.046 -25.107 19.535 0.00 0.00 WAT1 ATOM 1658 H2 TIP3 95 -23.493 -25.157 19.094 0.00 0.00 WAT1 ATOM 1659 OH2 TIP3 96 -20.100 -27.882 37.430 0.00 0.00 WAT1 ATOM 1660 H1 TIP3 96 -19.750 -28.536 36.824 0.00 0.00 WAT1 ATOM 1661 H2 TIP3 96 -19.953 -27.045 36.990 0.00 0.00 WAT1 ATOM 1662 OH2 TIP3 97 -22.410 -25.917 23.913 0.00 0.00 WAT1 ATOM 1663 H1 TIP3 97 -22.228 -26.366 24.738 0.00 0.00 WAT1 ATOM 1664 H2 TIP3 97 -23.010 -26.502 23.449 0.00 0.00 WAT1 ATOM 1665 OH2 TIP3 98 -20.580 -25.773 35.779 0.00 0.00 WAT1 ATOM 1666 H1 TIP3 98 -21.497 -25.502 35.743 0.00 0.00 WAT1 ATOM 1667 H2 TIP3 98 -20.457 -26.308 34.995 0.00 0.00 WAT1 ATOM 1668 OH2 TIP3 99 -20.544 -25.850 20.441 0.00 0.00 WAT1 ATOM 1669 H1 TIP3 99 -20.131 -26.571 19.965 0.00 0.00 WAT1 ATOM 1670 H2 TIP3 99 -19.862 -25.180 20.499 0.00 0.00 WAT1 ATOM 1671 OH2 TIP3 100 -23.007 -28.127 28.033 0.00 0.00 WAT1 ATOM 1672 H1 TIP3 100 -22.403 -27.579 27.532 0.00 0.00 WAT1 ATOM 1673 H2 TIP3 100 -23.876 -27.807 27.793 0.00 0.00 WAT1 ATOM 1674 OH2 TIP3 101 -21.280 -26.988 26.367 0.00 0.00 WAT1 ATOM 1675 H1 TIP3 101 -20.668 -27.502 25.840 0.00 0.00 WAT1 ATOM 1676 H2 TIP3 101 -20.897 -26.110 26.390 0.00 0.00 WAT1 ATOM 1677 OH2 TIP3 102 -20.360 -22.240 40.920 0.00 0.00 WAT1 ATOM 1678 H1 TIP3 102 -20.914 -22.636 40.248 0.00 0.00 WAT1 ATOM 1679 H2 TIP3 102 -20.259 -21.330 40.643 0.00 0.00 WAT1 ATOM 1680 OH2 TIP3 103 -20.253 -19.383 40.086 0.00 0.00 WAT1 ATOM 1681 H1 TIP3 103 -20.774 -19.026 39.367 0.00 0.00 WAT1 ATOM 1682 H2 TIP3 103 -20.286 -18.708 40.764 0.00 0.00 WAT1 ATOM 1683 OH2 TIP3 104 -21.904 -22.143 38.637 0.00 0.00 WAT1 ATOM 1684 H1 TIP3 104 -21.807 -21.476 37.957 0.00 0.00 WAT1 ATOM 1685 H2 TIP3 104 -22.044 -22.959 38.155 0.00 0.00 WAT1 ATOM 1686 OH2 TIP3 105 -20.544 -25.850 39.297 0.00 0.00 WAT1 ATOM 1687 H1 TIP3 105 -20.131 -26.571 38.821 0.00 0.00 WAT1 ATOM 1688 H2 TIP3 105 -19.862 -25.180 39.355 0.00 0.00 WAT1 ATOM 1689 OH2 TIP3 106 -20.759 -6.299 -7.325 0.00 0.00 WAT1 ATOM 1690 H1 TIP3 106 -20.710 -5.689 -6.589 0.00 0.00 WAT1 ATOM 1691 H2 TIP3 106 -20.333 -5.838 -8.048 0.00 0.00 WAT1 ATOM 1692 OH2 TIP3 107 -20.367 -4.821 -5.089 0.00 0.00 WAT1 ATOM 1693 H1 TIP3 107 -21.056 -4.163 -5.184 0.00 0.00 WAT1 ATOM 1694 H2 TIP3 107 -20.352 -5.018 -4.152 0.00 0.00 WAT1 ATOM 1695 OH2 TIP3 108 -23.293 -7.268 -6.525 0.00 0.00 WAT1 ATOM 1696 H1 TIP3 108 -24.029 -6.657 -6.563 0.00 0.00 WAT1 ATOM 1697 H2 TIP3 108 -22.609 -6.853 -7.051 0.00 0.00 WAT1 ATOM 1698 OH2 TIP3 109 -20.654 -0.966 -6.265 0.00 0.00 WAT1 ATOM 1699 H1 TIP3 109 -21.306 -0.271 -6.176 0.00 0.00 WAT1 ATOM 1700 H2 TIP3 109 -20.189 -0.756 -7.075 0.00 0.00 WAT1 ATOM 1701 OH2 TIP3 110 -24.720 -1.960 -4.539 0.00 0.00 WAT1 ATOM 1702 H1 TIP3 110 -24.640 -1.197 -3.967 0.00 0.00 WAT1 ATOM 1703 H2 TIP3 110 -25.321 -1.681 -5.230 0.00 0.00 WAT1 ATOM 1704 OH2 TIP3 111 -22.789 -3.132 -2.274 0.00 0.00 WAT1 ATOM 1705 H1 TIP3 111 -23.196 -2.651 -2.994 0.00 0.00 WAT1 ATOM 1706 H2 TIP3 111 -22.748 -4.037 -2.581 0.00 0.00 WAT1 ATOM 1707 OH2 TIP3 112 -28.358 -8.556 -4.907 0.00 0.00 WAT1 ATOM 1708 H1 TIP3 112 -27.938 -8.971 -4.154 0.00 0.00 WAT1 ATOM 1709 H2 TIP3 112 -29.291 -8.734 -4.790 0.00 0.00 WAT1 ATOM 1710 OH2 TIP3 113 -25.032 -4.800 -4.053 0.00 0.00 WAT1 ATOM 1711 H1 TIP3 113 -25.546 -4.926 -3.256 0.00 0.00 WAT1 ATOM 1712 H2 TIP3 113 -25.187 -3.888 -4.298 0.00 0.00 WAT1 ATOM 1713 OH2 TIP3 114 -28.295 -2.500 -1.969 0.00 0.00 WAT1 ATOM 1714 H1 TIP3 114 -28.858 -3.204 -1.649 0.00 0.00 WAT1 ATOM 1715 H2 TIP3 114 -27.469 -2.620 -1.502 0.00 0.00 WAT1 ATOM 1716 OH2 TIP3 115 -20.396 2.416 -2.811 0.00 0.00 WAT1 ATOM 1717 H1 TIP3 115 -21.248 2.654 -3.178 0.00 0.00 WAT1 ATOM 1718 H2 TIP3 115 -19.806 2.399 -3.564 0.00 0.00 WAT1 ATOM 1719 OH2 TIP3 116 -27.359 -6.025 -5.670 0.00 0.00 WAT1 ATOM 1720 H1 TIP3 116 -26.661 -5.951 -5.020 0.00 0.00 WAT1 ATOM 1721 H2 TIP3 116 -27.740 -6.889 -5.515 0.00 0.00 WAT1 ATOM 1722 OH2 TIP3 117 -32.206 -4.700 -2.941 0.00 0.00 WAT1 ATOM 1723 H1 TIP3 117 -32.056 -5.429 -3.544 0.00 0.00 WAT1 ATOM 1724 H2 TIP3 117 -32.204 -3.923 -3.500 0.00 0.00 WAT1 ATOM 1725 OH2 TIP3 118 -25.796 -3.076 -0.181 0.00 0.00 WAT1 ATOM 1726 H1 TIP3 118 -25.604 -4.007 -0.292 0.00 0.00 WAT1 ATOM 1727 H2 TIP3 118 -24.939 -2.651 -0.191 0.00 0.00 WAT1 ATOM 1728 OH2 TIP3 119 -30.988 -8.874 -5.017 0.00 0.00 WAT1 ATOM 1729 H1 TIP3 119 -31.086 -7.927 -5.123 0.00 0.00 WAT1 ATOM 1730 H2 TIP3 119 -31.731 -9.246 -5.493 0.00 0.00 WAT1 ATOM 1731 OH2 TIP3 120 -29.724 -4.552 -1.454 0.00 0.00 WAT1 ATOM 1732 H1 TIP3 120 -29.960 -4.772 -0.552 0.00 0.00 WAT1 ATOM 1733 H2 TIP3 120 -30.507 -4.759 -1.963 0.00 0.00 WAT1 ATOM 1734 OH2 TIP3 121 -27.008 -5.425 -2.378 0.00 0.00 WAT1 ATOM 1735 H1 TIP3 121 -27.956 -5.393 -2.246 0.00 0.00 WAT1 ATOM 1736 H2 TIP3 121 -26.696 -6.050 -1.724 0.00 0.00 WAT1 ATOM 1737 OH2 TIP3 122 -30.766 -9.580 -2.346 0.00 0.00 WAT1 ATOM 1738 H1 TIP3 122 -30.054 -10.220 -2.360 0.00 0.00 WAT1 ATOM 1739 H2 TIP3 122 -30.867 -9.313 -3.260 0.00 0.00 WAT1 ATOM 1740 OH2 TIP3 123 -21.878 0.063 -2.671 0.00 0.00 WAT1 ATOM 1741 H1 TIP3 123 -21.295 -0.671 -2.480 0.00 0.00 WAT1 ATOM 1742 H2 TIP3 123 -21.314 0.835 -2.625 0.00 0.00 WAT1 ATOM 1743 OH2 TIP3 124 -20.381 -2.034 -1.987 0.00 0.00 WAT1 ATOM 1744 H1 TIP3 124 -21.244 -2.413 -2.152 0.00 0.00 WAT1 ATOM 1745 H2 TIP3 124 -19.777 -2.773 -2.061 0.00 0.00 WAT1 ATOM 1746 OH2 TIP3 125 -22.383 -3.006 -5.636 0.00 0.00 WAT1 ATOM 1747 H1 TIP3 125 -23.226 -2.738 -5.270 0.00 0.00 WAT1 ATOM 1748 H2 TIP3 125 -21.940 -2.184 -5.847 0.00 0.00 WAT1 ATOM 1749 OH2 TIP3 126 -33.892 -8.879 -0.916 0.00 0.00 WAT1 ATOM 1750 H1 TIP3 126 -32.993 -9.153 -1.101 0.00 0.00 WAT1 ATOM 1751 H2 TIP3 126 -34.278 -9.622 -0.452 0.00 0.00 WAT1 ATOM 1752 OH2 TIP3 127 -25.404 -5.274 6.671 0.00 0.00 WAT1 ATOM 1753 H1 TIP3 127 -24.758 -5.603 7.296 0.00 0.00 WAT1 ATOM 1754 H2 TIP3 127 -24.894 -4.756 6.048 0.00 0.00 WAT1 ATOM 1755 OH2 TIP3 128 -23.640 -5.983 8.652 0.00 0.00 WAT1 ATOM 1756 H1 TIP3 128 -23.855 -6.749 9.184 0.00 0.00 WAT1 ATOM 1757 H2 TIP3 128 -22.984 -5.511 9.165 0.00 0.00 WAT1 ATOM 1758 OH2 TIP3 129 -27.969 -1.886 1.336 0.00 0.00 WAT1 ATOM 1759 H1 TIP3 129 -27.268 -1.864 1.987 0.00 0.00 WAT1 ATOM 1760 H2 TIP3 129 -27.667 -2.514 0.680 0.00 0.00 WAT1 ATOM 1761 OH2 TIP3 130 -25.746 -0.972 2.934 0.00 0.00 WAT1 ATOM 1762 H1 TIP3 130 -25.167 -0.822 3.681 0.00 0.00 WAT1 ATOM 1763 H2 TIP3 130 -25.332 -0.501 2.211 0.00 0.00 WAT1 ATOM 1764 OH2 TIP3 131 -27.397 -2.675 5.399 0.00 0.00 WAT1 ATOM 1765 H1 TIP3 131 -27.806 -1.860 5.107 0.00 0.00 WAT1 ATOM 1766 H2 TIP3 131 -26.677 -2.815 4.784 0.00 0.00 WAT1 ATOM 1767 OH2 TIP3 132 -31.814 -5.618 0.335 0.00 0.00 WAT1 ATOM 1768 H1 TIP3 132 -32.245 -6.063 1.065 0.00 0.00 WAT1 ATOM 1769 H2 TIP3 132 -32.532 -5.246 -0.177 0.00 0.00 WAT1 ATOM 1770 OH2 TIP3 133 -30.351 -5.664 7.668 0.00 0.00 WAT1 ATOM 1771 H1 TIP3 133 -31.262 -5.607 7.957 0.00 0.00 WAT1 ATOM 1772 H2 TIP3 133 -29.846 -5.724 8.479 0.00 0.00 WAT1 ATOM 1773 OH2 TIP3 134 -31.870 -4.035 4.151 0.00 0.00 WAT1 ATOM 1774 H1 TIP3 134 -30.938 -3.906 4.329 0.00 0.00 WAT1 ATOM 1775 H2 TIP3 134 -32.085 -3.365 3.502 0.00 0.00 WAT1 ATOM 1776 OH2 TIP3 135 -34.029 -6.740 5.973 0.00 0.00 WAT1 ATOM 1777 H1 TIP3 135 -34.346 -7.642 5.938 0.00 0.00 WAT1 ATOM 1778 H2 TIP3 135 -33.248 -6.738 5.421 0.00 0.00 WAT1 ATOM 1779 OH2 TIP3 136 -25.245 -3.594 3.514 0.00 0.00 WAT1 ATOM 1780 H1 TIP3 136 -24.353 -3.731 3.833 0.00 0.00 WAT1 ATOM 1781 H2 TIP3 136 -25.188 -2.803 2.977 0.00 0.00 WAT1 ATOM 1782 OH2 TIP3 137 -20.360 -3.384 3.208 0.00 0.00 WAT1 ATOM 1783 H1 TIP3 137 -20.914 -3.780 2.536 0.00 0.00 WAT1 ATOM 1784 H2 TIP3 137 -20.259 -2.474 2.931 0.00 0.00 WAT1 ATOM 1785 OH2 TIP3 138 -29.375 -4.645 5.118 0.00 0.00 WAT1 ATOM 1786 H1 TIP3 138 -28.563 -4.141 5.164 0.00 0.00 WAT1 ATOM 1787 H2 TIP3 138 -29.620 -4.790 6.032 0.00 0.00 WAT1 ATOM 1788 OH2 TIP3 139 -28.491 -7.564 6.056 0.00 0.00 WAT1 ATOM 1789 H1 TIP3 139 -28.838 -6.946 6.701 0.00 0.00 WAT1 ATOM 1790 H2 TIP3 139 -27.833 -7.063 5.575 0.00 0.00 WAT1 ATOM 1791 OH2 TIP3 140 -32.834 -6.501 2.744 0.00 0.00 WAT1 ATOM 1792 H1 TIP3 140 -32.917 -5.612 3.090 0.00 0.00 WAT1 ATOM 1793 H2 TIP3 140 -31.944 -6.766 2.975 0.00 0.00 WAT1 ATOM 1794 OH2 TIP3 141 -30.764 -1.705 0.739 0.00 0.00 WAT1 ATOM 1795 H1 TIP3 141 -30.944 -1.859 -0.189 0.00 0.00 WAT1 ATOM 1796 H2 TIP3 141 -29.813 -1.597 0.783 0.00 0.00 WAT1 ATOM 1797 OH2 TIP3 142 -21.374 0.650 0.184 0.00 0.00 WAT1 ATOM 1798 H1 TIP3 142 -21.647 0.225 -0.629 0.00 0.00 WAT1 ATOM 1799 H2 TIP3 142 -21.334 1.581 -0.033 0.00 0.00 WAT1 ATOM 1800 OH2 TIP3 143 -20.253 -0.527 2.374 0.00 0.00 WAT1 ATOM 1801 H1 TIP3 143 -20.774 -0.170 1.655 0.00 0.00 WAT1 ATOM 1802 H2 TIP3 143 -20.286 0.148 3.052 0.00 0.00 WAT1 ATOM 1803 OH2 TIP3 144 -21.904 -3.287 0.925 0.00 0.00 WAT1 ATOM 1804 H1 TIP3 144 -21.807 -2.620 0.245 0.00 0.00 WAT1 ATOM 1805 H2 TIP3 144 -22.044 -4.103 0.443 0.00 0.00 WAT1 ATOM 1806 OH2 TIP3 145 -23.024 -4.324 5.008 0.00 0.00 WAT1 ATOM 1807 H1 TIP3 145 -22.744 -5.231 5.133 0.00 0.00 WAT1 ATOM 1808 H2 TIP3 145 -22.265 -3.890 4.619 0.00 0.00 WAT1 ATOM 1809 OH2 TIP3 146 -28.149 -7.378 9.065 0.00 0.00 WAT1 ATOM 1810 H1 TIP3 146 -28.824 -8.007 9.320 0.00 0.00 WAT1 ATOM 1811 H2 TIP3 146 -27.585 -7.862 8.462 0.00 0.00 WAT1 ATOM 1812 OH2 TIP3 147 -23.007 -9.271 9.177 0.00 0.00 WAT1 ATOM 1813 H1 TIP3 147 -22.403 -8.723 8.676 0.00 0.00 WAT1 ATOM 1814 H2 TIP3 147 -23.876 -8.951 8.937 0.00 0.00 WAT1 ATOM 1815 OH2 TIP3 148 -21.280 -8.132 7.511 0.00 0.00 WAT1 ATOM 1816 H1 TIP3 148 -20.668 -8.646 6.984 0.00 0.00 WAT1 ATOM 1817 H2 TIP3 148 -20.897 -7.254 7.534 0.00 0.00 WAT1 ATOM 1818 OH2 TIP3 149 -31.243 -8.817 6.700 0.00 0.00 WAT1 ATOM 1819 H1 TIP3 149 -30.369 -8.429 6.670 0.00 0.00 WAT1 ATOM 1820 H2 TIP3 149 -31.379 -9.032 7.623 0.00 0.00 WAT1 ATOM 1821 OH2 TIP3 150 -25.686 -8.787 8.349 0.00 0.00 WAT1 ATOM 1822 H1 TIP3 150 -25.610 -8.692 7.400 0.00 0.00 WAT1 ATOM 1823 H2 TIP3 150 -25.962 -9.695 8.478 0.00 0.00 WAT1 ATOM 1824 OH2 TIP3 151 -35.125 -7.030 1.133 0.00 0.00 WAT1 ATOM 1825 H1 TIP3 151 -34.634 -7.660 0.605 0.00 0.00 WAT1 ATOM 1826 H2 TIP3 151 -34.502 -6.734 1.796 0.00 0.00 WAT1 ATOM 1827 OH2 TIP3 152 -14.630 -31.976 -2.610 0.00 0.00 WAT1 ATOM 1828 H1 TIP3 152 -14.622 -32.112 -3.558 0.00 0.00 WAT1 ATOM 1829 H2 TIP3 152 -15.546 -32.094 -2.358 0.00 0.00 WAT1 ATOM 1830 OH2 TIP3 153 -3.803 -28.469 -1.647 0.00 0.00 WAT1 ATOM 1831 H1 TIP3 153 -3.603 -28.045 -2.482 0.00 0.00 WAT1 ATOM 1832 H2 TIP3 153 -3.147 -28.126 -1.040 0.00 0.00 WAT1 ATOM 1833 OH2 TIP3 154 -16.205 -35.995 -2.039 0.00 0.00 WAT1 ATOM 1834 H1 TIP3 154 -15.472 -35.741 -1.478 0.00 0.00 WAT1 ATOM 1835 H2 TIP3 154 -16.985 -35.791 -1.524 0.00 0.00 WAT1 ATOM 1836 OH2 TIP3 155 -18.376 -29.786 -1.772 0.00 0.00 WAT1 ATOM 1837 H1 TIP3 155 -17.836 -30.003 -1.013 0.00 0.00 WAT1 ATOM 1838 H2 TIP3 155 -18.857 -30.592 -1.962 0.00 0.00 WAT1 ATOM 1839 OH2 TIP3 156 -7.202 -32.487 -1.423 0.00 0.00 WAT1 ATOM 1840 H1 TIP3 156 -7.553 -33.343 -1.180 0.00 0.00 WAT1 ATOM 1841 H2 TIP3 156 -6.476 -32.344 -0.816 0.00 0.00 WAT1 ATOM 1842 OH2 TIP3 157 -11.814 -36.006 -1.385 0.00 0.00 WAT1 ATOM 1843 H1 TIP3 157 -12.142 -35.735 -2.243 0.00 0.00 WAT1 ATOM 1844 H2 TIP3 157 -11.662 -36.947 -1.473 0.00 0.00 WAT1 ATOM 1845 OH2 TIP3 158 -8.670 -37.296 -0.746 0.00 0.00 WAT1 ATOM 1846 H1 TIP3 158 -7.717 -37.212 -0.774 0.00 0.00 WAT1 ATOM 1847 H2 TIP3 158 -8.830 -38.007 -0.127 0.00 0.00 WAT1 ATOM 1848 OH2 TIP3 159 -17.251 -32.788 -1.656 0.00 0.00 WAT1 ATOM 1849 H1 TIP3 159 -18.072 -32.613 -2.116 0.00 0.00 WAT1 ATOM 1850 H2 TIP3 159 -17.503 -32.861 -0.735 0.00 0.00 WAT1 ATOM 1851 OH2 TIP3 160 -9.986 -30.414 -2.438 0.00 0.00 WAT1 ATOM 1852 H1 TIP3 160 -9.801 -30.748 -1.560 0.00 0.00 WAT1 ATOM 1853 H2 TIP3 160 -9.139 -30.105 -2.760 0.00 0.00 WAT1 ATOM 1854 OH2 TIP3 161 -7.641 -29.129 -3.194 0.00 0.00 WAT1 ATOM 1855 H1 TIP3 161 -6.964 -29.761 -3.434 0.00 0.00 WAT1 ATOM 1856 H2 TIP3 161 -7.319 -28.727 -2.386 0.00 0.00 WAT1 ATOM 1857 OH2 TIP3 162 -7.888 -37.300 6.845 0.00 0.00 WAT1 ATOM 1858 H1 TIP3 162 -7.799 -36.356 6.713 0.00 0.00 WAT1 ATOM 1859 H2 TIP3 162 -8.527 -37.575 6.187 0.00 0.00 WAT1 ATOM 1860 OH2 TIP3 163 -8.955 -38.045 10.264 0.00 0.00 WAT1 ATOM 1861 H1 TIP3 163 -8.993 -38.691 10.969 0.00 0.00 WAT1 ATOM 1862 H2 TIP3 163 -9.278 -38.511 9.493 0.00 0.00 WAT1 ATOM 1863 OH2 TIP3 164 -16.587 -38.430 11.857 0.00 0.00 WAT1 ATOM 1864 H1 TIP3 164 -16.545 -39.056 12.581 0.00 0.00 WAT1 ATOM 1865 H2 TIP3 164 -15.884 -37.807 12.039 0.00 0.00 WAT1 ATOM 1866 OH2 TIP3 165 -5.249 -35.106 8.566 0.00 0.00 WAT1 ATOM 1867 H1 TIP3 165 -5.690 -35.826 9.016 0.00 0.00 WAT1 ATOM 1868 H2 TIP3 165 -5.262 -34.385 9.196 0.00 0.00 WAT1 ATOM 1869 OH2 TIP3 166 -19.053 -40.320 5.785 0.00 0.00 WAT1 ATOM 1870 H1 TIP3 166 -19.501 -39.474 5.767 0.00 0.00 WAT1 ATOM 1871 H2 TIP3 166 -19.614 -40.900 5.270 0.00 0.00 WAT1 ATOM 1872 OH2 TIP3 167 -18.343 -38.158 7.911 0.00 0.00 WAT1 ATOM 1873 H1 TIP3 167 -18.129 -38.928 8.438 0.00 0.00 WAT1 ATOM 1874 H2 TIP3 167 -17.605 -38.069 7.308 0.00 0.00 WAT1 ATOM 1875 OH2 TIP3 168 -8.138 -30.001 8.778 0.00 0.00 WAT1 ATOM 1876 H1 TIP3 168 -7.518 -30.678 8.505 0.00 0.00 WAT1 ATOM 1877 H2 TIP3 168 -8.346 -30.219 9.686 0.00 0.00 WAT1 ATOM 1878 OH2 TIP3 169 -14.270 -43.117 8.270 0.00 0.00 WAT1 ATOM 1879 H1 TIP3 169 -14.227 -42.257 7.852 0.00 0.00 WAT1 ATOM 1880 H2 TIP3 169 -14.728 -43.669 7.637 0.00 0.00 WAT1 ATOM 1881 OH2 TIP3 170 -17.650 -40.720 9.032 0.00 0.00 WAT1 ATOM 1882 H1 TIP3 170 -16.996 -41.270 9.464 0.00 0.00 WAT1 ATOM 1883 H2 TIP3 170 -17.626 -40.994 8.116 0.00 0.00 WAT1 ATOM 1884 OH2 TIP3 171 -15.866 -42.307 10.297 0.00 0.00 WAT1 ATOM 1885 H1 TIP3 171 -15.253 -41.674 10.670 0.00 0.00 WAT1 ATOM 1886 H2 TIP3 171 -15.354 -42.779 9.640 0.00 0.00 WAT1 ATOM 1887 OH2 TIP3 172 -18.362 -34.888 4.201 0.00 0.00 WAT1 ATOM 1888 H1 TIP3 172 -18.634 -34.659 3.312 0.00 0.00 WAT1 ATOM 1889 H2 TIP3 172 -18.317 -34.050 4.661 0.00 0.00 WAT1 ATOM 1890 OH2 TIP3 173 -5.326 -33.584 6.048 0.00 0.00 WAT1 ATOM 1891 H1 TIP3 173 -5.583 -34.274 5.436 0.00 0.00 WAT1 ATOM 1892 H2 TIP3 173 -5.255 -34.027 6.893 0.00 0.00 WAT1 ATOM 1893 OH2 TIP3 174 -3.640 -35.018 14.525 0.00 0.00 WAT1 ATOM 1894 H1 TIP3 174 -3.500 -35.609 13.786 0.00 0.00 WAT1 ATOM 1895 H2 TIP3 174 -3.472 -34.145 14.169 0.00 0.00 WAT1 ATOM 1896 OH2 TIP3 175 -9.167 -38.056 4.297 0.00 0.00 WAT1 ATOM 1897 H1 TIP3 175 -9.879 -37.521 3.946 0.00 0.00 WAT1 ATOM 1898 H2 TIP3 175 -8.476 -38.000 3.637 0.00 0.00 WAT1 ATOM 1899 OH2 TIP3 176 -9.113 -39.598 1.336 0.00 0.00 WAT1 ATOM 1900 H1 TIP3 176 -8.412 -39.576 1.987 0.00 0.00 WAT1 ATOM 1901 H2 TIP3 176 -8.811 -40.226 0.680 0.00 0.00 WAT1 ATOM 1902 OH2 TIP3 177 -1.798 -38.678 12.591 0.00 0.00 WAT1 ATOM 1903 H1 TIP3 177 -2.450 -37.983 12.680 0.00 0.00 WAT1 ATOM 1904 H2 TIP3 177 -1.333 -38.468 11.781 0.00 0.00 WAT1 ATOM 1905 OH2 TIP3 178 -5.761 -37.846 5.249 0.00 0.00 WAT1 ATOM 1906 H1 TIP3 178 -6.493 -37.618 5.822 0.00 0.00 WAT1 ATOM 1907 H2 TIP3 178 -5.314 -38.560 5.704 0.00 0.00 WAT1 ATOM 1908 OH2 TIP3 179 -7.440 -32.944 11.499 0.00 0.00 WAT1 ATOM 1909 H1 TIP3 179 -7.681 -32.282 12.147 0.00 0.00 WAT1 ATOM 1910 H2 TIP3 179 -7.638 -33.778 11.924 0.00 0.00 WAT1 ATOM 1911 OH2 TIP3 180 -6.890 -38.684 2.934 0.00 0.00 WAT1 ATOM 1912 H1 TIP3 180 -6.311 -38.534 3.681 0.00 0.00 WAT1 ATOM 1913 H2 TIP3 180 -6.476 -38.213 2.211 0.00 0.00 WAT1 ATOM 1914 OH2 TIP3 181 -15.949 -37.850 14.711 0.00 0.00 WAT1 ATOM 1915 H1 TIP3 181 -15.879 -37.199 15.409 0.00 0.00 WAT1 ATOM 1916 H2 TIP3 181 -16.840 -37.747 14.376 0.00 0.00 WAT1 ATOM 1917 OH2 TIP3 182 -14.630 -31.976 16.246 0.00 0.00 WAT1 ATOM 1918 H1 TIP3 182 -14.622 -32.112 15.298 0.00 0.00 WAT1 ATOM 1919 H2 TIP3 182 -15.546 -32.094 16.498 0.00 0.00 WAT1 ATOM 1920 OH2 TIP3 183 -2.002 -32.568 1.124 0.00 0.00 WAT1 ATOM 1921 H1 TIP3 183 -1.929 -31.629 1.294 0.00 0.00 WAT1 ATOM 1922 H2 TIP3 183 -1.097 -32.873 1.067 0.00 0.00 WAT1 ATOM 1923 OH2 TIP3 184 -19.033 -35.783 13.536 0.00 0.00 WAT1 ATOM 1924 H1 TIP3 184 -19.534 -35.811 12.721 0.00 0.00 WAT1 ATOM 1925 H2 TIP3 184 -19.027 -36.689 13.846 0.00 0.00 WAT1 ATOM 1926 OH2 TIP3 185 -19.282 -33.003 10.420 0.00 0.00 WAT1 ATOM 1927 H1 TIP3 185 -18.336 -33.147 10.401 0.00 0.00 WAT1 ATOM 1928 H2 TIP3 185 -19.395 -32.219 10.957 0.00 0.00 WAT1 ATOM 1929 OH2 TIP3 186 -10.106 -32.763 14.978 0.00 0.00 WAT1 ATOM 1930 H1 TIP3 186 -10.019 -31.937 15.453 0.00 0.00 WAT1 ATOM 1931 H2 TIP3 186 -10.970 -33.093 15.227 0.00 0.00 WAT1 ATOM 1932 OH2 TIP3 187 -5.413 -37.651 0.564 0.00 0.00 WAT1 ATOM 1933 H1 TIP3 187 -5.371 -37.874 -0.366 0.00 0.00 WAT1 ATOM 1934 H2 TIP3 187 -4.564 -37.253 0.754 0.00 0.00 WAT1 ATOM 1935 OH2 TIP3 188 -14.074 -41.024 11.670 0.00 0.00 WAT1 ATOM 1936 H1 TIP3 188 -14.716 -41.065 12.379 0.00 0.00 WAT1 ATOM 1937 H2 TIP3 188 -14.037 -40.098 11.432 0.00 0.00 WAT1 ATOM 1938 OH2 TIP3 189 -14.077 -40.803 6.582 0.00 0.00 WAT1 ATOM 1939 H1 TIP3 189 -14.970 -41.144 6.523 0.00 0.00 WAT1 ATOM 1940 H2 TIP3 189 -13.626 -41.180 5.826 0.00 0.00 WAT1 ATOM 1941 OH2 TIP3 190 -8.541 -40.387 5.399 0.00 0.00 WAT1 ATOM 1942 H1 TIP3 190 -8.950 -39.572 5.107 0.00 0.00 WAT1 ATOM 1943 H2 TIP3 190 -7.821 -40.527 4.784 0.00 0.00 WAT1 ATOM 1944 OH2 TIP3 191 -16.324 -40.704 13.537 0.00 0.00 WAT1 ATOM 1945 H1 TIP3 191 -16.362 -40.304 14.405 0.00 0.00 WAT1 ATOM 1946 H2 TIP3 191 -16.815 -41.521 13.627 0.00 0.00 WAT1 ATOM 1947 OH2 TIP3 192 -8.273 -39.303 12.884 0.00 0.00 WAT1 ATOM 1948 H1 TIP3 192 -7.949 -39.934 12.241 0.00 0.00 WAT1 ATOM 1949 H2 TIP3 192 -8.713 -39.838 13.545 0.00 0.00 WAT1 ATOM 1950 OH2 TIP3 193 -11.495 -43.376 7.668 0.00 0.00 WAT1 ATOM 1951 H1 TIP3 193 -12.406 -43.319 7.957 0.00 0.00 WAT1 ATOM 1952 H2 TIP3 193 -10.990 -43.436 8.479 0.00 0.00 WAT1 ATOM 1953 OH2 TIP3 194 -16.667 -41.747 6.495 0.00 0.00 WAT1 ATOM 1954 H1 TIP3 194 -17.556 -41.647 6.155 0.00 0.00 WAT1 ATOM 1955 H2 TIP3 194 -16.371 -42.589 6.149 0.00 0.00 WAT1 ATOM 1956 OH2 TIP3 195 -13.014 -41.747 4.151 0.00 0.00 WAT1 ATOM 1957 H1 TIP3 195 -12.082 -41.618 4.329 0.00 0.00 WAT1 ATOM 1958 H2 TIP3 195 -13.229 -41.077 3.502 0.00 0.00 WAT1 ATOM 1959 OH2 TIP3 196 -14.340 -40.552 1.718 0.00 0.00 WAT1 ATOM 1960 H1 TIP3 196 -14.882 -40.932 1.027 0.00 0.00 WAT1 ATOM 1961 H2 TIP3 196 -13.506 -40.358 1.289 0.00 0.00 WAT1 ATOM 1962 OH2 TIP3 197 -16.205 -35.995 16.817 0.00 0.00 WAT1 ATOM 1963 H1 TIP3 197 -15.472 -35.741 17.378 0.00 0.00 WAT1 ATOM 1964 H2 TIP3 197 -16.985 -35.791 17.332 0.00 0.00 WAT1 ATOM 1965 OH2 TIP3 198 -10.175 -40.588 9.555 0.00 0.00 WAT1 ATOM 1966 H1 TIP3 198 -9.611 -41.135 9.008 0.00 0.00 WAT1 ATOM 1967 H2 TIP3 198 -10.323 -41.110 10.344 0.00 0.00 WAT1 ATOM 1968 OH2 TIP3 199 -11.549 -42.200 11.969 0.00 0.00 WAT1 ATOM 1969 H1 TIP3 199 -12.384 -41.746 12.079 0.00 0.00 WAT1 ATOM 1970 H2 TIP3 199 -11.025 -41.924 12.721 0.00 0.00 WAT1 ATOM 1971 OH2 TIP3 200 -3.855 -36.854 12.440 0.00 0.00 WAT1 ATOM 1972 H1 TIP3 200 -3.213 -36.397 11.897 0.00 0.00 WAT1 ATOM 1973 H2 TIP3 200 -4.685 -36.741 11.978 0.00 0.00 WAT1 ATOM 1974 OH2 TIP3 201 -9.485 -35.803 14.891 0.00 0.00 WAT1 ATOM 1975 H1 TIP3 201 -9.831 -36.184 15.697 0.00 0.00 WAT1 ATOM 1976 H2 TIP3 201 -9.685 -34.869 14.962 0.00 0.00 WAT1 ATOM 1977 OH2 TIP3 202 -18.872 -38.231 14.738 0.00 0.00 WAT1 ATOM 1978 H1 TIP3 202 -18.649 -38.649 15.570 0.00 0.00 WAT1 ATOM 1979 H2 TIP3 202 -19.474 -38.844 14.316 0.00 0.00 WAT1 ATOM 1980 OH2 TIP3 203 -11.855 -38.714 16.951 0.00 0.00 WAT1 ATOM 1981 H1 TIP3 203 -12.151 -38.880 16.056 0.00 0.00 WAT1 ATOM 1982 H2 TIP3 203 -10.924 -38.934 16.941 0.00 0.00 WAT1 ATOM 1983 OH2 TIP3 204 -3.208 -32.310 3.673 0.00 0.00 WAT1 ATOM 1984 H1 TIP3 204 -3.581 -33.136 3.983 0.00 0.00 WAT1 ATOM 1985 H2 TIP3 204 -2.931 -32.493 2.776 0.00 0.00 WAT1 ATOM 1986 OH2 TIP3 205 -6.048 -37.502 10.695 0.00 0.00 WAT1 ATOM 1987 H1 TIP3 205 -6.976 -37.734 10.668 0.00 0.00 WAT1 ATOM 1988 H2 TIP3 205 -5.597 -38.279 10.365 0.00 0.00 WAT1 ATOM 1989 OH2 TIP3 206 -17.750 -38.312 1.415 0.00 0.00 WAT1 ATOM 1990 H1 TIP3 206 -17.134 -37.685 1.794 0.00 0.00 WAT1 ATOM 1991 H2 TIP3 206 -18.612 -37.996 1.686 0.00 0.00 WAT1 ATOM 1992 OH2 TIP3 207 -8.019 -35.263 12.420 0.00 0.00 WAT1 ATOM 1993 H1 TIP3 207 -8.445 -35.490 13.246 0.00 0.00 WAT1 ATOM 1994 H2 TIP3 207 -7.438 -36.001 12.237 0.00 0.00 WAT1 ATOM 1995 OH2 TIP3 208 -5.816 -34.334 1.494 0.00 0.00 WAT1 ATOM 1996 H1 TIP3 208 -5.463 -34.714 2.298 0.00 0.00 WAT1 ATOM 1997 H2 TIP3 208 -6.765 -34.427 1.580 0.00 0.00 WAT1 ATOM 1998 OH2 TIP3 209 -1.312 -29.854 1.695 0.00 0.00 WAT1 ATOM 1999 H1 TIP3 209 -0.569 -29.268 1.555 0.00 0.00 WAT1 ATOM 2000 H2 TIP3 209 -2.007 -29.286 2.028 0.00 0.00 WAT1 ATOM 2001 OH2 TIP3 210 -4.950 -35.661 3.720 0.00 0.00 WAT1 ATOM 2002 H1 TIP3 210 -5.227 -36.389 4.276 0.00 0.00 WAT1 ATOM 2003 H2 TIP3 210 -4.023 -35.542 3.926 0.00 0.00 WAT1 ATOM 2004 OH2 TIP3 211 -11.725 -33.222 -0.059 0.00 0.00 WAT1 ATOM 2005 H1 TIP3 211 -11.486 -33.970 -0.607 0.00 0.00 WAT1 ATOM 2006 H2 TIP3 211 -11.994 -33.610 0.773 0.00 0.00 WAT1 ATOM 2007 OH2 TIP3 212 -10.519 -42.357 5.118 0.00 0.00 WAT1 ATOM 2008 H1 TIP3 212 -9.707 -41.853 5.164 0.00 0.00 WAT1 ATOM 2009 H2 TIP3 212 -10.764 -42.502 6.032 0.00 0.00 WAT1 ATOM 2010 OH2 TIP3 213 -9.983 -41.371 14.303 0.00 0.00 WAT1 ATOM 2011 H1 TIP3 213 -9.864 -40.797 15.060 0.00 0.00 WAT1 ATOM 2012 H2 TIP3 213 -9.328 -42.059 14.418 0.00 0.00 WAT1 ATOM 2013 OH2 TIP3 214 -15.719 -33.785 1.804 0.00 0.00 WAT1 ATOM 2014 H1 TIP3 214 -15.127 -33.086 2.080 0.00 0.00 WAT1 ATOM 2015 H2 TIP3 214 -15.260 -34.218 1.085 0.00 0.00 WAT1 ATOM 2016 OH2 TIP3 215 -17.665 -32.399 5.754 0.00 0.00 WAT1 ATOM 2017 H1 TIP3 215 -18.497 -31.926 5.781 0.00 0.00 WAT1 ATOM 2018 H2 TIP3 215 -17.119 -31.889 5.155 0.00 0.00 WAT1 ATOM 2019 OH2 TIP3 216 -9.687 -31.359 0.079 0.00 0.00 WAT1 ATOM 2020 H1 TIP3 216 -10.331 -31.990 0.401 0.00 0.00 WAT1 ATOM 2021 H2 TIP3 216 -8.925 -31.890 -0.153 0.00 0.00 WAT1 ATOM 2022 OH2 TIP3 217 -5.083 -31.542 0.313 0.00 0.00 WAT1 ATOM 2023 H1 TIP3 217 -4.800 -32.336 0.766 0.00 0.00 WAT1 ATOM 2024 H2 TIP3 217 -4.343 -31.309 -0.248 0.00 0.00 WAT1 ATOM 2025 OH2 TIP3 218 -18.469 -35.976 18.038 0.00 0.00 WAT1 ATOM 2026 H1 TIP3 218 -18.325 -36.878 17.752 0.00 0.00 WAT1 ATOM 2027 H2 TIP3 218 -19.242 -35.690 17.550 0.00 0.00 WAT1 ATOM 2028 OH2 TIP3 219 -14.128 -35.632 0.170 0.00 0.00 WAT1 ATOM 2029 H1 TIP3 219 -14.064 -36.426 0.701 0.00 0.00 WAT1 ATOM 2030 H2 TIP3 219 -13.475 -35.751 -0.519 0.00 0.00 WAT1 ATOM 2031 OH2 TIP3 220 -11.814 -36.006 17.471 0.00 0.00 WAT1 ATOM 2032 H1 TIP3 220 -12.142 -35.735 16.613 0.00 0.00 WAT1 ATOM 2033 H2 TIP3 220 -11.662 -36.947 17.383 0.00 0.00 WAT1 ATOM 2034 OH2 TIP3 221 -8.776 -34.585 -0.094 0.00 0.00 WAT1 ATOM 2035 H1 TIP3 221 -9.044 -34.405 0.807 0.00 0.00 WAT1 ATOM 2036 H2 TIP3 221 -8.982 -35.511 -0.225 0.00 0.00 WAT1 ATOM 2037 OH2 TIP3 222 -6.079 -36.090 14.854 0.00 0.00 WAT1 ATOM 2038 H1 TIP3 222 -5.334 -35.502 14.734 0.00 0.00 WAT1 ATOM 2039 H2 TIP3 222 -6.836 -35.508 14.917 0.00 0.00 WAT1 ATOM 2040 OH2 TIP3 223 -17.637 -38.776 17.458 0.00 0.00 WAT1 ATOM 2041 H1 TIP3 223 -17.229 -39.633 17.337 0.00 0.00 WAT1 ATOM 2042 H2 TIP3 223 -17.897 -38.761 18.379 0.00 0.00 WAT1 ATOM 2043 OH2 TIP3 224 -12.979 -37.660 2.476 0.00 0.00 WAT1 ATOM 2044 H1 TIP3 224 -13.438 -38.144 3.162 0.00 0.00 WAT1 ATOM 2045 H2 TIP3 224 -12.724 -38.328 1.840 0.00 0.00 WAT1 ATOM 2046 OH2 TIP3 225 -13.690 -39.767 14.832 0.00 0.00 WAT1 ATOM 2047 H1 TIP3 225 -14.308 -39.092 15.113 0.00 0.00 WAT1 ATOM 2048 H2 TIP3 225 -13.346 -39.446 13.999 0.00 0.00 WAT1 ATOM 2049 OH2 TIP3 226 -11.908 -39.417 0.739 0.00 0.00 WAT1 ATOM 2050 H1 TIP3 226 -12.088 -39.571 -0.189 0.00 0.00 WAT1 ATOM 2051 H2 TIP3 226 -10.957 -39.309 0.783 0.00 0.00 WAT1 ATOM 2052 OH2 TIP3 227 -8.670 -37.296 18.110 0.00 0.00 WAT1 ATOM 2053 H1 TIP3 227 -7.717 -37.212 18.082 0.00 0.00 WAT1 ATOM 2054 H2 TIP3 227 -8.830 -38.007 18.729 0.00 0.00 WAT1 ATOM 2055 OH2 TIP3 228 -11.356 -38.603 13.647 0.00 0.00 WAT1 ATOM 2056 H1 TIP3 228 -10.605 -38.759 13.074 0.00 0.00 WAT1 ATOM 2057 H2 TIP3 228 -11.695 -37.751 13.371 0.00 0.00 WAT1 ATOM 2058 OH2 TIP3 229 -5.624 -37.999 16.753 0.00 0.00 WAT1 ATOM 2059 H1 TIP3 229 -5.905 -37.290 16.175 0.00 0.00 WAT1 ATOM 2060 H2 TIP3 229 -4.681 -38.072 16.602 0.00 0.00 WAT1 ATOM 2061 OH2 TIP3 230 -18.442 -34.090 1.223 0.00 0.00 WAT1 ATOM 2062 H1 TIP3 230 -17.528 -34.011 1.496 0.00 0.00 WAT1 ATOM 2063 H2 TIP3 230 -18.435 -34.777 0.556 0.00 0.00 WAT1 ATOM 2064 OH2 TIP3 231 -19.793 -28.697 6.300 0.00 0.00 WAT1 ATOM 2065 H1 TIP3 231 -20.440 -29.159 5.767 0.00 0.00 WAT1 ATOM 2066 H2 TIP3 231 -19.438 -29.369 6.883 0.00 0.00 WAT1 ATOM 2067 OH2 TIP3 232 -1.906 -35.355 10.931 0.00 0.00 WAT1 ATOM 2068 H1 TIP3 232 -1.072 -35.733 10.650 0.00 0.00 WAT1 ATOM 2069 H2 TIP3 232 -1.794 -34.412 10.812 0.00 0.00 WAT1 ATOM 2070 OH2 TIP3 233 -18.843 -37.541 10.556 0.00 0.00 WAT1 ATOM 2071 H1 TIP3 233 -18.659 -37.623 9.621 0.00 0.00 WAT1 ATOM 2072 H2 TIP3 233 -17.994 -37.665 10.980 0.00 0.00 WAT1 ATOM 2073 OH2 TIP3 234 -3.022 -37.649 16.185 0.00 0.00 WAT1 ATOM 2074 H1 TIP3 234 -2.439 -38.383 16.376 0.00 0.00 WAT1 ATOM 2075 H2 TIP3 234 -2.458 -36.877 16.231 0.00 0.00 WAT1 ATOM 2076 OH2 TIP3 235 -19.720 -40.959 10.657 0.00 0.00 WAT1 ATOM 2077 H1 TIP3 235 -19.228 -41.180 9.867 0.00 0.00 WAT1 ATOM 2078 H2 TIP3 235 -19.358 -40.118 10.938 0.00 0.00 WAT1 ATOM 2079 OH2 TIP3 236 -17.251 -32.788 17.200 0.00 0.00 WAT1 ATOM 2080 H1 TIP3 236 -18.072 -32.613 16.740 0.00 0.00 WAT1 ATOM 2081 H2 TIP3 236 -17.503 -32.861 18.121 0.00 0.00 WAT1 ATOM 2082 OH2 TIP3 237 -18.229 -30.710 3.588 0.00 0.00 WAT1 ATOM 2083 H1 TIP3 237 -18.914 -30.748 2.920 0.00 0.00 WAT1 ATOM 2084 H2 TIP3 237 -18.226 -29.797 3.876 0.00 0.00 WAT1 ATOM 2085 OH2 TIP3 238 -16.411 -29.790 0.613 0.00 0.00 WAT1 ATOM 2086 H1 TIP3 238 -16.679 -29.503 1.486 0.00 0.00 WAT1 ATOM 2087 H2 TIP3 238 -15.640 -30.336 0.765 0.00 0.00 WAT1 ATOM 2088 OH2 TIP3 239 -7.888 -37.300 25.701 0.00 0.00 WAT1 ATOM 2089 H1 TIP3 239 -7.799 -36.356 25.569 0.00 0.00 WAT1 ATOM 2090 H2 TIP3 239 -8.527 -37.575 25.043 0.00 0.00 WAT1 ATOM 2091 OH2 TIP3 240 -5.249 -35.106 27.422 0.00 0.00 WAT1 ATOM 2092 H1 TIP3 240 -5.690 -35.826 27.872 0.00 0.00 WAT1 ATOM 2093 H2 TIP3 240 -5.262 -34.385 28.052 0.00 0.00 WAT1 ATOM 2094 OH2 TIP3 241 -15.663 -33.980 29.248 0.00 0.00 WAT1 ATOM 2095 H1 TIP3 241 -16.033 -34.782 28.879 0.00 0.00 WAT1 ATOM 2096 H2 TIP3 241 -14.722 -34.149 29.295 0.00 0.00 WAT1 ATOM 2097 OH2 TIP3 242 -10.566 -35.612 29.526 0.00 0.00 WAT1 ATOM 2098 H1 TIP3 242 -10.262 -36.298 28.932 0.00 0.00 WAT1 ATOM 2099 H2 TIP3 242 -9.844 -35.494 30.144 0.00 0.00 WAT1 ATOM 2100 OH2 TIP3 243 -8.091 -34.699 24.744 0.00 0.00 WAT1 ATOM 2101 H1 TIP3 243 -8.387 -35.021 23.893 0.00 0.00 WAT1 ATOM 2102 H2 TIP3 243 -8.415 -33.799 24.786 0.00 0.00 WAT1 ATOM 2103 OH2 TIP3 244 -3.640 -35.018 33.381 0.00 0.00 WAT1 ATOM 2104 H1 TIP3 244 -3.500 -35.609 32.642 0.00 0.00 WAT1 ATOM 2105 H2 TIP3 244 -3.472 -34.145 33.025 0.00 0.00 WAT1 ATOM 2106 OH2 TIP3 245 -9.167 -38.056 23.153 0.00 0.00 WAT1 ATOM 2107 H1 TIP3 245 -9.879 -37.521 22.802 0.00 0.00 WAT1 ATOM 2108 H2 TIP3 245 -8.476 -38.000 22.493 0.00 0.00 WAT1 ATOM 2109 OH2 TIP3 246 -5.761 -37.846 24.105 0.00 0.00 WAT1 ATOM 2110 H1 TIP3 246 -6.493 -37.618 24.678 0.00 0.00 WAT1 ATOM 2111 H2 TIP3 246 -5.314 -38.560 24.560 0.00 0.00 WAT1 ATOM 2112 OH2 TIP3 247 -12.749 -33.788 28.669 0.00 0.00 WAT1 ATOM 2113 H1 TIP3 247 -12.844 -34.366 27.912 0.00 0.00 WAT1 ATOM 2114 H2 TIP3 247 -12.020 -34.159 29.165 0.00 0.00 WAT1 ATOM 2115 OH2 TIP3 248 -6.890 -38.684 21.790 0.00 0.00 WAT1 ATOM 2116 H1 TIP3 248 -6.311 -38.534 22.537 0.00 0.00 WAT1 ATOM 2117 H2 TIP3 248 -6.476 -38.213 21.067 0.00 0.00 WAT1 ATOM 2118 OH2 TIP3 249 -14.630 -31.976 35.102 0.00 0.00 WAT1 ATOM 2119 H1 TIP3 249 -14.622 -32.112 34.154 0.00 0.00 WAT1 ATOM 2120 H2 TIP3 249 -15.546 -32.094 35.354 0.00 0.00 WAT1 ATOM 2121 OH2 TIP3 250 -19.282 -33.003 29.276 0.00 0.00 WAT1 ATOM 2122 H1 TIP3 250 -18.336 -33.147 29.257 0.00 0.00 WAT1 ATOM 2123 H2 TIP3 250 -19.395 -32.219 29.813 0.00 0.00 WAT1 ATOM 2124 OH2 TIP3 251 -1.085 -32.337 34.958 0.00 0.00 WAT1 ATOM 2125 H1 TIP3 251 -1.134 -33.292 34.921 0.00 0.00 WAT1 ATOM 2126 H2 TIP3 251 -1.911 -32.069 35.360 0.00 0.00 WAT1 ATOM 2127 OH2 TIP3 252 -10.106 -32.763 33.834 0.00 0.00 WAT1 ATOM 2128 H1 TIP3 252 -10.019 -31.937 34.309 0.00 0.00 WAT1 ATOM 2129 H2 TIP3 252 -10.970 -33.093 34.083 0.00 0.00 WAT1 ATOM 2130 OH2 TIP3 253 -5.413 -37.651 19.420 0.00 0.00 WAT1 ATOM 2131 H1 TIP3 253 -5.371 -37.874 18.490 0.00 0.00 WAT1 ATOM 2132 H2 TIP3 253 -4.564 -37.253 19.610 0.00 0.00 WAT1 ATOM 2133 OH2 TIP3 254 -3.803 -28.469 36.065 0.00 0.00 WAT1 ATOM 2134 H1 TIP3 254 -3.603 -28.045 35.230 0.00 0.00 WAT1 ATOM 2135 H2 TIP3 254 -3.147 -28.126 36.672 0.00 0.00 WAT1 ATOM 2136 OH2 TIP3 255 -11.005 -35.987 22.510 0.00 0.00 WAT1 ATOM 2137 H1 TIP3 255 -11.749 -36.494 22.187 0.00 0.00 WAT1 ATOM 2138 H2 TIP3 255 -11.139 -35.938 23.456 0.00 0.00 WAT1 ATOM 2139 OH2 TIP3 256 -3.855 -36.854 31.296 0.00 0.00 WAT1 ATOM 2140 H1 TIP3 256 -3.213 -36.397 30.753 0.00 0.00 WAT1 ATOM 2141 H2 TIP3 256 -4.685 -36.741 30.834 0.00 0.00 WAT1 ATOM 2142 OH2 TIP3 257 -6.389 -41.306 22.370 0.00 0.00 WAT1 ATOM 2143 H1 TIP3 257 -5.497 -41.443 22.689 0.00 0.00 WAT1 ATOM 2144 H2 TIP3 257 -6.332 -40.515 21.833 0.00 0.00 WAT1 ATOM 2145 OH2 TIP3 258 -8.879 -34.528 21.535 0.00 0.00 WAT1 ATOM 2146 H1 TIP3 258 -9.174 -33.702 21.917 0.00 0.00 WAT1 ATOM 2147 H2 TIP3 258 -9.582 -35.148 21.731 0.00 0.00 WAT1 ATOM 2148 OH2 TIP3 259 -7.235 -33.341 33.697 0.00 0.00 WAT1 ATOM 2149 H1 TIP3 259 -8.136 -33.158 33.429 0.00 0.00 WAT1 ATOM 2150 H2 TIP3 259 -7.201 -33.082 34.618 0.00 0.00 WAT1 ATOM 2151 OH2 TIP3 260 -1.504 -41.096 22.064 0.00 0.00 WAT1 ATOM 2152 H1 TIP3 260 -2.058 -41.492 21.392 0.00 0.00 WAT1 ATOM 2153 H2 TIP3 260 -1.403 -40.186 21.787 0.00 0.00 WAT1 ATOM 2154 OH2 TIP3 261 -6.048 -37.502 29.551 0.00 0.00 WAT1 ATOM 2155 H1 TIP3 261 -6.976 -37.734 29.524 0.00 0.00 WAT1 ATOM 2156 H2 TIP3 261 -5.597 -38.279 29.221 0.00 0.00 WAT1 ATOM 2157 OH2 TIP3 262 -13.505 -33.174 25.684 0.00 0.00 WAT1 ATOM 2158 H1 TIP3 262 -12.978 -32.401 25.483 0.00 0.00 WAT1 ATOM 2159 H2 TIP3 262 -14.385 -32.949 25.382 0.00 0.00 WAT1 ATOM 2160 OH2 TIP3 263 -12.078 -35.511 25.260 0.00 0.00 WAT1 ATOM 2161 H1 TIP3 263 -12.319 -34.586 25.302 0.00 0.00 WAT1 ATOM 2162 H2 TIP3 263 -12.818 -35.970 25.656 0.00 0.00 WAT1 ATOM 2163 OH2 TIP3 264 -11.563 -31.362 31.575 0.00 0.00 WAT1 ATOM 2164 H1 TIP3 264 -11.200 -30.507 31.342 0.00 0.00 WAT1 ATOM 2165 H2 TIP3 264 -11.031 -31.654 32.316 0.00 0.00 WAT1 ATOM 2166 OH2 TIP3 265 -8.019 -35.263 31.276 0.00 0.00 WAT1 ATOM 2167 H1 TIP3 265 -8.445 -35.490 32.102 0.00 0.00 WAT1 ATOM 2168 H2 TIP3 265 -7.438 -36.001 31.093 0.00 0.00 WAT1 ATOM 2169 OH2 TIP3 266 -5.360 -30.711 33.745 0.00 0.00 WAT1 ATOM 2170 H1 TIP3 266 -5.962 -31.266 33.250 0.00 0.00 WAT1 ATOM 2171 H2 TIP3 266 -5.079 -30.044 33.119 0.00 0.00 WAT1 ATOM 2172 OH2 TIP3 267 -17.587 -31.673 31.587 0.00 0.00 WAT1 ATOM 2173 H1 TIP3 267 -17.370 -32.605 31.556 0.00 0.00 WAT1 ATOM 2174 H2 TIP3 267 -17.340 -31.399 32.471 0.00 0.00 WAT1 ATOM 2175 OH2 TIP3 268 -12.788 -33.652 21.253 0.00 0.00 WAT1 ATOM 2176 H1 TIP3 268 -12.641 -34.172 22.043 0.00 0.00 WAT1 ATOM 2177 H2 TIP3 268 -12.791 -32.745 21.559 0.00 0.00 WAT1 ATOM 2178 OH2 TIP3 269 -15.719 -33.785 20.660 0.00 0.00 WAT1 ATOM 2179 H1 TIP3 269 -15.127 -33.086 20.936 0.00 0.00 WAT1 ATOM 2180 H2 TIP3 269 -15.260 -34.218 19.941 0.00 0.00 WAT1 ATOM 2181 OH2 TIP3 270 -17.665 -32.399 24.610 0.00 0.00 WAT1 ATOM 2182 H1 TIP3 270 -18.497 -31.926 24.637 0.00 0.00 WAT1 ATOM 2183 H2 TIP3 270 -17.119 -31.889 24.011 0.00 0.00 WAT1 ATOM 2184 OH2 TIP3 271 -18.376 -29.786 35.940 0.00 0.00 WAT1 ATOM 2185 H1 TIP3 271 -17.836 -30.003 36.699 0.00 0.00 WAT1 ATOM 2186 H2 TIP3 271 -18.857 -30.592 35.750 0.00 0.00 WAT1 ATOM 2187 OH2 TIP3 272 -13.779 -30.867 37.560 0.00 0.00 WAT1 ATOM 2188 H1 TIP3 272 -13.011 -31.326 37.901 0.00 0.00 WAT1 ATOM 2189 H2 TIP3 272 -13.800 -31.093 36.630 0.00 0.00 WAT1 ATOM 2190 OH2 TIP3 273 -7.202 -32.487 36.289 0.00 0.00 WAT1 ATOM 2191 H1 TIP3 273 -7.553 -33.343 36.532 0.00 0.00 WAT1 ATOM 2192 H2 TIP3 273 -6.476 -32.344 36.896 0.00 0.00 WAT1 ATOM 2193 OH2 TIP3 274 -14.128 -35.632 19.026 0.00 0.00 WAT1 ATOM 2194 H1 TIP3 274 -14.064 -36.426 19.557 0.00 0.00 WAT1 ATOM 2195 H2 TIP3 274 -13.475 -35.751 18.337 0.00 0.00 WAT1 ATOM 2196 OH2 TIP3 275 -8.776 -34.585 18.762 0.00 0.00 WAT1 ATOM 2197 H1 TIP3 275 -9.044 -34.405 19.663 0.00 0.00 WAT1 ATOM 2198 H2 TIP3 275 -8.982 -35.511 18.631 0.00 0.00 WAT1 ATOM 2199 OH2 TIP3 276 -6.079 -36.090 33.710 0.00 0.00 WAT1 ATOM 2200 H1 TIP3 276 -5.334 -35.502 33.590 0.00 0.00 WAT1 ATOM 2201 H2 TIP3 276 -6.836 -35.508 33.773 0.00 0.00 WAT1 ATOM 2202 OH2 TIP3 277 -2.518 -37.062 19.040 0.00 0.00 WAT1 ATOM 2203 H1 TIP3 277 -2.791 -37.487 18.227 0.00 0.00 WAT1 ATOM 2204 H2 TIP3 277 -2.478 -36.131 18.823 0.00 0.00 WAT1 ATOM 2205 OH2 TIP3 278 -19.793 -28.697 25.156 0.00 0.00 WAT1 ATOM 2206 H1 TIP3 278 -20.440 -29.159 24.623 0.00 0.00 WAT1 ATOM 2207 H2 TIP3 278 -19.438 -29.369 25.739 0.00 0.00 WAT1 ATOM 2208 OH2 TIP3 279 -18.923 -30.616 26.961 0.00 0.00 WAT1 ATOM 2209 H1 TIP3 279 -19.257 -31.497 27.133 0.00 0.00 WAT1 ATOM 2210 H2 TIP3 279 -18.701 -30.271 27.825 0.00 0.00 WAT1 ATOM 2211 OH2 TIP3 280 -1.811 -30.240 32.863 0.00 0.00 WAT1 ATOM 2212 H1 TIP3 280 -2.298 -30.975 32.492 0.00 0.00 WAT1 ATOM 2213 H2 TIP3 280 -1.262 -30.633 33.541 0.00 0.00 WAT1 ATOM 2214 OH2 TIP3 281 -1.665 -38.140 24.839 0.00 0.00 WAT1 ATOM 2215 H1 TIP3 281 -2.391 -38.619 25.237 0.00 0.00 WAT1 ATOM 2216 H2 TIP3 281 -1.084 -37.934 25.571 0.00 0.00 WAT1 ATOM 2217 OH2 TIP3 282 -1.906 -35.355 29.787 0.00 0.00 WAT1 ATOM 2218 H1 TIP3 282 -1.072 -35.733 29.506 0.00 0.00 WAT1 ATOM 2219 H2 TIP3 282 -1.794 -34.412 29.668 0.00 0.00 WAT1 ATOM 2220 OH2 TIP3 283 -3.419 -32.477 32.094 0.00 0.00 WAT1 ATOM 2221 H1 TIP3 283 -4.067 -32.152 32.719 0.00 0.00 WAT1 ATOM 2222 H2 TIP3 283 -3.937 -32.917 31.419 0.00 0.00 WAT1 ATOM 2223 OH2 TIP3 284 -1.397 -38.239 21.230 0.00 0.00 WAT1 ATOM 2224 H1 TIP3 284 -1.918 -37.882 20.511 0.00 0.00 WAT1 ATOM 2225 H2 TIP3 284 -1.430 -37.564 21.908 0.00 0.00 WAT1 ATOM 2226 OH2 TIP3 285 -3.048 -40.999 19.781 0.00 0.00 WAT1 ATOM 2227 H1 TIP3 285 -2.951 -40.332 19.101 0.00 0.00 WAT1 ATOM 2228 H2 TIP3 285 -3.188 -41.815 19.299 0.00 0.00 WAT1 ATOM 2229 OH2 TIP3 286 -3.878 -39.619 25.402 0.00 0.00 WAT1 ATOM 2230 H1 TIP3 286 -4.028 -40.564 25.382 0.00 0.00 WAT1 ATOM 2231 H2 TIP3 286 -4.232 -39.338 26.246 0.00 0.00 WAT1 ATOM 2232 OH2 TIP3 287 -14.297 -31.813 32.315 0.00 0.00 WAT1 ATOM 2233 H1 TIP3 287 -14.722 -31.004 32.032 0.00 0.00 WAT1 ATOM 2234 H2 TIP3 287 -13.392 -31.728 32.013 0.00 0.00 WAT1 ATOM 2235 OH2 TIP3 288 -9.986 -30.414 35.274 0.00 0.00 WAT1 ATOM 2236 H1 TIP3 288 -9.801 -30.748 36.152 0.00 0.00 WAT1 ATOM 2237 H2 TIP3 288 -9.139 -30.105 34.952 0.00 0.00 WAT1 ATOM 2238 OH2 TIP3 289 -16.895 -28.557 32.362 0.00 0.00 WAT1 ATOM 2239 H1 TIP3 289 -17.615 -28.117 31.911 0.00 0.00 WAT1 ATOM 2240 H2 TIP3 289 -17.261 -28.808 33.211 0.00 0.00 WAT1 ATOM 2241 OH2 TIP3 290 -14.428 -28.957 31.392 0.00 0.00 WAT1 ATOM 2242 H1 TIP3 290 -15.293 -28.885 31.796 0.00 0.00 WAT1 ATOM 2243 H2 TIP3 290 -14.483 -28.410 30.608 0.00 0.00 WAT1 ATOM 2244 OH2 TIP3 291 -17.480 -29.934 29.273 0.00 0.00 WAT1 ATOM 2245 H1 TIP3 291 -17.499 -30.359 30.130 0.00 0.00 WAT1 ATOM 2246 H2 TIP3 291 -16.675 -30.252 28.864 0.00 0.00 WAT1 ATOM 2247 OH2 TIP3 292 -18.229 -30.710 22.444 0.00 0.00 WAT1 ATOM 2248 H1 TIP3 292 -18.914 -30.748 21.776 0.00 0.00 WAT1 ATOM 2249 H2 TIP3 292 -18.226 -29.797 22.732 0.00 0.00 WAT1 ATOM 2250 OH2 TIP3 293 -16.411 -29.790 19.469 0.00 0.00 WAT1 ATOM 2251 H1 TIP3 293 -16.679 -29.503 20.342 0.00 0.00 WAT1 ATOM 2252 H2 TIP3 293 -15.640 -30.336 19.621 0.00 0.00 WAT1 ATOM 2253 OH2 TIP3 294 -3.438 -31.186 35.671 0.00 0.00 WAT1 ATOM 2254 H1 TIP3 294 -4.220 -31.372 35.151 0.00 0.00 WAT1 ATOM 2255 H2 TIP3 294 -3.510 -30.257 35.888 0.00 0.00 WAT1 ATOM 2256 OH2 TIP3 295 -6.590 -29.837 39.499 0.00 0.00 WAT1 ATOM 2257 H1 TIP3 295 -6.215 -30.581 39.028 0.00 0.00 WAT1 ATOM 2258 H2 TIP3 295 -6.586 -30.107 40.417 0.00 0.00 WAT1 ATOM 2259 OH2 TIP3 296 -9.687 -31.359 37.791 0.00 0.00 WAT1 ATOM 2260 H1 TIP3 296 -10.331 -31.990 38.113 0.00 0.00 WAT1 ATOM 2261 H2 TIP3 296 -8.925 -31.890 37.559 0.00 0.00 WAT1 ATOM 2262 OH2 TIP3 297 -5.083 -31.542 38.025 0.00 0.00 WAT1 ATOM 2263 H1 TIP3 297 -4.800 -32.336 38.478 0.00 0.00 WAT1 ATOM 2264 H2 TIP3 297 -4.343 -31.309 37.464 0.00 0.00 WAT1 ATOM 2265 OH2 TIP3 298 -12.010 -28.726 39.452 0.00 0.00 WAT1 ATOM 2266 H1 TIP3 298 -11.077 -28.568 39.596 0.00 0.00 WAT1 ATOM 2267 H2 TIP3 298 -12.274 -28.051 38.827 0.00 0.00 WAT1 ATOM 2268 OH2 TIP3 299 -9.365 -29.500 39.697 0.00 0.00 WAT1 ATOM 2269 H1 TIP3 299 -8.499 -29.134 39.519 0.00 0.00 WAT1 ATOM 2270 H2 TIP3 299 -9.612 -29.940 38.884 0.00 0.00 WAT1 ATOM 2271 OH2 TIP3 300 -16.411 -29.790 38.325 0.00 0.00 WAT1 ATOM 2272 H1 TIP3 300 -16.679 -29.503 39.198 0.00 0.00 WAT1 ATOM 2273 H2 TIP3 300 -15.640 -30.336 38.477 0.00 0.00 WAT1 ATOM 2274 OH2 TIP3 301 -7.888 -18.444 -12.011 0.00 0.00 WAT1 ATOM 2275 H1 TIP3 301 -7.799 -17.500 -12.143 0.00 0.00 WAT1 ATOM 2276 H2 TIP3 301 -8.527 -18.719 -12.669 0.00 0.00 WAT1 ATOM 2277 OH2 TIP3 302 -8.955 -19.189 -8.592 0.00 0.00 WAT1 ATOM 2278 H1 TIP3 302 -8.993 -19.835 -7.887 0.00 0.00 WAT1 ATOM 2279 H2 TIP3 302 -9.278 -19.655 -9.363 0.00 0.00 WAT1 ATOM 2280 OH2 TIP3 303 -16.587 -19.574 -6.999 0.00 0.00 WAT1 ATOM 2281 H1 TIP3 303 -16.545 -20.200 -6.275 0.00 0.00 WAT1 ATOM 2282 H2 TIP3 303 -15.884 -18.951 -6.817 0.00 0.00 WAT1 ATOM 2283 OH2 TIP3 304 -5.249 -16.250 -10.290 0.00 0.00 WAT1 ATOM 2284 H1 TIP3 304 -5.690 -16.970 -9.840 0.00 0.00 WAT1 ATOM 2285 H2 TIP3 304 -5.262 -15.529 -9.660 0.00 0.00 WAT1 ATOM 2286 OH2 TIP3 305 -15.663 -15.124 -8.464 0.00 0.00 WAT1 ATOM 2287 H1 TIP3 305 -16.033 -15.926 -8.833 0.00 0.00 WAT1 ATOM 2288 H2 TIP3 305 -14.722 -15.293 -8.417 0.00 0.00 WAT1 ATOM 2289 OH2 TIP3 306 -1.903 -25.155 -7.325 0.00 0.00 WAT1 ATOM 2290 H1 TIP3 306 -1.854 -24.545 -6.589 0.00 0.00 WAT1 ATOM 2291 H2 TIP3 306 -1.477 -24.694 -8.048 0.00 0.00 WAT1 ATOM 2292 OH2 TIP3 307 -7.425 -22.362 -7.858 0.00 0.00 WAT1 ATOM 2293 H1 TIP3 307 -7.282 -23.309 -7.838 0.00 0.00 WAT1 ATOM 2294 H2 TIP3 307 -7.531 -22.155 -8.787 0.00 0.00 WAT1 ATOM 2295 OH2 TIP3 308 -12.494 -20.314 -10.608 0.00 0.00 WAT1 ATOM 2296 H1 TIP3 308 -11.878 -20.840 -10.099 0.00 0.00 WAT1 ATOM 2297 H2 TIP3 308 -13.080 -20.954 -11.012 0.00 0.00 WAT1 ATOM 2298 OH2 TIP3 309 -1.511 -23.677 -5.089 0.00 0.00 WAT1 ATOM 2299 H1 TIP3 309 -2.200 -23.019 -5.184 0.00 0.00 WAT1 ATOM 2300 H2 TIP3 309 -1.496 -23.874 -4.152 0.00 0.00 WAT1 ATOM 2301 OH2 TIP3 310 -8.091 -15.843 -12.968 0.00 0.00 WAT1 ATOM 2302 H1 TIP3 310 -8.387 -16.165 -13.819 0.00 0.00 WAT1 ATOM 2303 H2 TIP3 310 -8.415 -14.943 -12.926 0.00 0.00 WAT1 ATOM 2304 OH2 TIP3 311 -5.326 -14.728 -12.808 0.00 0.00 WAT1 ATOM 2305 H1 TIP3 311 -5.583 -15.418 -13.420 0.00 0.00 WAT1 ATOM 2306 H2 TIP3 311 -5.255 -15.171 -11.963 0.00 0.00 WAT1 ATOM 2307 OH2 TIP3 312 -14.116 -18.360 -11.724 0.00 0.00 WAT1 ATOM 2308 H1 TIP3 312 -14.446 -18.730 -12.543 0.00 0.00 WAT1 ATOM 2309 H2 TIP3 312 -13.528 -19.030 -11.378 0.00 0.00 WAT1 ATOM 2310 OH2 TIP3 313 -13.749 -19.591 -8.091 0.00 0.00 WAT1 ATOM 2311 H1 TIP3 313 -13.184 -19.470 -8.854 0.00 0.00 WAT1 ATOM 2312 H2 TIP3 313 -13.430 -18.954 -7.452 0.00 0.00 WAT1 ATOM 2313 OH2 TIP3 314 -15.949 -18.994 -4.145 0.00 0.00 WAT1 ATOM 2314 H1 TIP3 314 -15.879 -18.343 -3.447 0.00 0.00 WAT1 ATOM 2315 H2 TIP3 314 -16.840 -18.891 -4.480 0.00 0.00 WAT1 ATOM 2316 OH2 TIP3 315 -9.164 -13.091 -12.487 0.00 0.00 WAT1 ATOM 2317 H1 TIP3 315 -8.690 -12.796 -11.709 0.00 0.00 WAT1 ATOM 2318 H2 TIP3 315 -9.727 -12.353 -12.720 0.00 0.00 WAT1 ATOM 2319 OH2 TIP3 316 -19.033 -16.927 -5.320 0.00 0.00 WAT1 ATOM 2320 H1 TIP3 316 -19.534 -16.955 -6.135 0.00 0.00 WAT1 ATOM 2321 H2 TIP3 316 -19.027 -17.833 -5.010 0.00 0.00 WAT1 ATOM 2322 OH2 TIP3 317 -19.282 -14.147 -8.436 0.00 0.00 WAT1 ATOM 2323 H1 TIP3 317 -18.336 -14.291 -8.455 0.00 0.00 WAT1 ATOM 2324 H2 TIP3 317 -19.395 -13.363 -7.899 0.00 0.00 WAT1 ATOM 2325 OH2 TIP3 318 -9.692 -10.135 -14.072 0.00 0.00 WAT1 ATOM 2326 H1 TIP3 318 -9.767 -10.256 -15.018 0.00 0.00 WAT1 ATOM 2327 H2 TIP3 318 -9.659 -9.185 -13.953 0.00 0.00 WAT1 ATOM 2328 OH2 TIP3 319 -16.038 -11.346 -12.291 0.00 0.00 WAT1 ATOM 2329 H1 TIP3 319 -15.886 -11.694 -11.412 0.00 0.00 WAT1 ATOM 2330 H2 TIP3 319 -16.889 -11.702 -12.546 0.00 0.00 WAT1 ATOM 2331 OH2 TIP3 320 -6.921 -11.055 -14.320 0.00 0.00 WAT1 ATOM 2332 H1 TIP3 320 -7.856 -10.955 -14.141 0.00 0.00 WAT1 ATOM 2333 H2 TIP3 320 -6.641 -11.764 -13.742 0.00 0.00 WAT1 ATOM 2334 OH2 TIP3 321 -16.784 -15.604 -4.277 0.00 0.00 WAT1 ATOM 2335 H1 TIP3 321 -16.567 -15.965 -3.417 0.00 0.00 WAT1 ATOM 2336 H2 TIP3 321 -17.639 -15.978 -4.487 0.00 0.00 WAT1 ATOM 2337 OH2 TIP3 322 -6.176 -23.656 -4.053 0.00 0.00 WAT1 ATOM 2338 H1 TIP3 322 -6.690 -23.782 -3.256 0.00 0.00 WAT1 ATOM 2339 H2 TIP3 322 -6.331 -22.744 -4.298 0.00 0.00 WAT1 ATOM 2340 OH2 TIP3 323 -9.439 -21.356 -1.969 0.00 0.00 WAT1 ATOM 2341 H1 TIP3 323 -10.002 -22.060 -1.649 0.00 0.00 WAT1 ATOM 2342 H2 TIP3 323 -8.613 -21.476 -1.502 0.00 0.00 WAT1 ATOM 2343 OH2 TIP3 324 -8.273 -20.447 -5.972 0.00 0.00 WAT1 ATOM 2344 H1 TIP3 324 -7.949 -21.078 -6.615 0.00 0.00 WAT1 ATOM 2345 H2 TIP3 324 -8.713 -20.982 -5.311 0.00 0.00 WAT1 ATOM 2346 OH2 TIP3 325 -10.175 -21.732 -9.301 0.00 0.00 WAT1 ATOM 2347 H1 TIP3 325 -9.611 -22.279 -9.848 0.00 0.00 WAT1 ATOM 2348 H2 TIP3 325 -10.323 -22.254 -8.512 0.00 0.00 WAT1 ATOM 2349 OH2 TIP3 326 -15.880 -17.836 -9.433 0.00 0.00 WAT1 ATOM 2350 H1 TIP3 326 -15.135 -17.838 -10.034 0.00 0.00 WAT1 ATOM 2351 H2 TIP3 326 -15.802 -18.660 -8.951 0.00 0.00 WAT1 ATOM 2352 OH2 TIP3 327 -18.872 -19.375 -4.118 0.00 0.00 WAT1 ATOM 2353 H1 TIP3 327 -18.649 -19.793 -3.286 0.00 0.00 WAT1 ATOM 2354 H2 TIP3 327 -19.474 -19.988 -4.540 0.00 0.00 WAT1 ATOM 2355 OH2 TIP3 328 -11.855 -19.858 -1.905 0.00 0.00 WAT1 ATOM 2356 H1 TIP3 328 -12.151 -20.024 -2.800 0.00 0.00 WAT1 ATOM 2357 H2 TIP3 328 -10.924 -20.078 -1.915 0.00 0.00 WAT1 ATOM 2358 OH2 TIP3 329 -6.048 -18.646 -8.161 0.00 0.00 WAT1 ATOM 2359 H1 TIP3 329 -6.976 -18.878 -8.188 0.00 0.00 WAT1 ATOM 2360 H2 TIP3 329 -5.597 -19.423 -8.491 0.00 0.00 WAT1 ATOM 2361 OH2 TIP3 330 -13.505 -14.318 -12.028 0.00 0.00 WAT1 ATOM 2362 H1 TIP3 330 -12.978 -13.545 -12.229 0.00 0.00 WAT1 ATOM 2363 H2 TIP3 330 -14.385 -14.093 -12.330 0.00 0.00 WAT1 ATOM 2364 OH2 TIP3 331 -12.078 -16.655 -12.452 0.00 0.00 WAT1 ATOM 2365 H1 TIP3 331 -12.319 -15.730 -12.410 0.00 0.00 WAT1 ATOM 2366 H2 TIP3 331 -12.818 -17.114 -12.056 0.00 0.00 WAT1 ATOM 2367 OH2 TIP3 332 -13.394 -11.633 -12.907 0.00 0.00 WAT1 ATOM 2368 H1 TIP3 332 -14.344 -11.528 -12.855 0.00 0.00 WAT1 ATOM 2369 H2 TIP3 332 -13.043 -10.813 -12.562 0.00 0.00 WAT1 ATOM 2370 OH2 TIP3 333 -17.587 -12.817 -6.125 0.00 0.00 WAT1 ATOM 2371 H1 TIP3 333 -17.370 -13.749 -6.156 0.00 0.00 WAT1 ATOM 2372 H2 TIP3 333 -17.340 -12.543 -5.241 0.00 0.00 WAT1 ATOM 2373 OH2 TIP3 334 -9.983 -22.515 -4.553 0.00 0.00 WAT1 ATOM 2374 H1 TIP3 334 -9.864 -21.941 -3.796 0.00 0.00 WAT1 ATOM 2375 H2 TIP3 334 -9.328 -23.203 -4.438 0.00 0.00 WAT1 ATOM 2376 OH2 TIP3 335 -3.779 -24.608 -3.718 0.00 0.00 WAT1 ATOM 2377 H1 TIP3 335 -4.695 -24.345 -3.806 0.00 0.00 WAT1 ATOM 2378 H2 TIP3 335 -3.443 -24.611 -4.615 0.00 0.00 WAT1 ATOM 2379 OH2 TIP3 336 -5.177 -20.857 -9.622 0.00 0.00 WAT1 ATOM 2380 H1 TIP3 336 -5.974 -21.272 -9.951 0.00 0.00 WAT1 ATOM 2381 H2 TIP3 336 -4.732 -21.548 -9.131 0.00 0.00 WAT1 ATOM 2382 OH2 TIP3 337 -18.469 -17.120 -0.818 0.00 0.00 WAT1 ATOM 2383 H1 TIP3 337 -18.325 -18.022 -1.104 0.00 0.00 WAT1 ATOM 2384 H2 TIP3 337 -19.242 -16.834 -1.306 0.00 0.00 WAT1 ATOM 2385 OH2 TIP3 338 -11.814 -17.150 -1.385 0.00 0.00 WAT1 ATOM 2386 H1 TIP3 338 -12.142 -16.879 -2.243 0.00 0.00 WAT1 ATOM 2387 H2 TIP3 338 -11.662 -18.091 -1.473 0.00 0.00 WAT1 ATOM 2388 OH2 TIP3 339 -17.637 -19.920 -1.398 0.00 0.00 WAT1 ATOM 2389 H1 TIP3 339 -17.229 -20.777 -1.519 0.00 0.00 WAT1 ATOM 2390 H2 TIP3 339 -17.897 -19.905 -0.477 0.00 0.00 WAT1 ATOM 2391 OH2 TIP3 340 -13.690 -20.911 -4.024 0.00 0.00 WAT1 ATOM 2392 H1 TIP3 340 -14.308 -20.236 -3.743 0.00 0.00 WAT1 ATOM 2393 H2 TIP3 340 -13.346 -20.590 -4.857 0.00 0.00 WAT1 ATOM 2394 OH2 TIP3 341 -8.670 -18.440 -0.746 0.00 0.00 WAT1 ATOM 2395 H1 TIP3 341 -7.717 -18.356 -0.774 0.00 0.00 WAT1 ATOM 2396 H2 TIP3 341 -8.830 -19.151 -0.127 0.00 0.00 WAT1 ATOM 2397 OH2 TIP3 342 -13.350 -23.556 -2.941 0.00 0.00 WAT1 ATOM 2398 H1 TIP3 342 -13.200 -24.285 -3.544 0.00 0.00 WAT1 ATOM 2399 H2 TIP3 342 -13.348 -22.779 -3.500 0.00 0.00 WAT1 ATOM 2400 OH2 TIP3 343 -11.356 -19.747 -5.209 0.00 0.00 WAT1 ATOM 2401 H1 TIP3 343 -10.605 -19.903 -5.782 0.00 0.00 WAT1 ATOM 2402 H2 TIP3 343 -11.695 -18.895 -5.485 0.00 0.00 WAT1 ATOM 2403 OH2 TIP3 344 -14.872 -22.358 -1.030 0.00 0.00 WAT1 ATOM 2404 H1 TIP3 344 -15.639 -22.890 -1.240 0.00 0.00 WAT1 ATOM 2405 H2 TIP3 344 -14.193 -22.668 -1.629 0.00 0.00 WAT1 ATOM 2406 OH2 TIP3 345 -12.132 -27.730 -5.017 0.00 0.00 WAT1 ATOM 2407 H1 TIP3 345 -12.230 -26.783 -5.123 0.00 0.00 WAT1 ATOM 2408 H2 TIP3 345 -12.875 -28.102 -5.493 0.00 0.00 WAT1 ATOM 2409 OH2 TIP3 346 -10.868 -23.408 -1.454 0.00 0.00 WAT1 ATOM 2410 H1 TIP3 346 -11.104 -23.628 -0.552 0.00 0.00 WAT1 ATOM 2411 H2 TIP3 346 -11.651 -23.615 -1.963 0.00 0.00 WAT1 ATOM 2412 OH2 TIP3 347 -8.152 -24.281 -2.378 0.00 0.00 WAT1 ATOM 2413 H1 TIP3 347 -9.100 -24.249 -2.246 0.00 0.00 WAT1 ATOM 2414 H2 TIP3 347 -7.840 -24.906 -1.724 0.00 0.00 WAT1 ATOM 2415 OH2 TIP3 348 -6.518 -25.647 -0.373 0.00 0.00 WAT1 ATOM 2416 H1 TIP3 348 -6.615 -26.599 -0.379 0.00 0.00 WAT1 ATOM 2417 H2 TIP3 348 -6.840 -25.378 0.488 0.00 0.00 WAT1 ATOM 2418 OH2 TIP3 349 -16.691 -24.437 -1.325 0.00 0.00 WAT1 ATOM 2419 H1 TIP3 349 -16.480 -25.144 -1.936 0.00 0.00 WAT1 ATOM 2420 H2 TIP3 349 -16.803 -24.875 -0.481 0.00 0.00 WAT1 ATOM 2421 OH2 TIP3 350 -11.910 -28.436 -2.346 0.00 0.00 WAT1 ATOM 2422 H1 TIP3 350 -11.198 -29.076 -2.360 0.00 0.00 WAT1 ATOM 2423 H2 TIP3 350 -12.011 -28.169 -3.260 0.00 0.00 WAT1 ATOM 2424 OH2 TIP3 351 -1.906 -16.499 -7.925 0.00 0.00 WAT1 ATOM 2425 H1 TIP3 351 -1.072 -16.877 -8.206 0.00 0.00 WAT1 ATOM 2426 H2 TIP3 351 -1.794 -15.556 -8.044 0.00 0.00 WAT1 ATOM 2427 OH2 TIP3 352 -3.556 -22.599 -8.412 0.00 0.00 WAT1 ATOM 2428 H1 TIP3 352 -2.623 -22.387 -8.446 0.00 0.00 WAT1 ATOM 2429 H2 TIP3 352 -3.791 -22.497 -7.489 0.00 0.00 WAT1 ATOM 2430 OH2 TIP3 353 -1.244 -27.882 -0.282 0.00 0.00 WAT1 ATOM 2431 H1 TIP3 353 -0.894 -28.536 -0.888 0.00 0.00 WAT1 ATOM 2432 H2 TIP3 353 -1.097 -27.045 -0.722 0.00 0.00 WAT1 ATOM 2433 OH2 TIP3 354 -1.724 -25.773 -1.933 0.00 0.00 WAT1 ATOM 2434 H1 TIP3 354 -2.641 -25.502 -1.969 0.00 0.00 WAT1 ATOM 2435 H2 TIP3 354 -1.601 -26.308 -2.717 0.00 0.00 WAT1 ATOM 2436 OH2 TIP3 355 -4.636 -10.861 -12.199 0.00 0.00 WAT1 ATOM 2437 H1 TIP3 355 -3.983 -11.208 -12.807 0.00 0.00 WAT1 ATOM 2438 H2 TIP3 355 -4.125 -10.372 -11.553 0.00 0.00 WAT1 ATOM 2439 OH2 TIP3 356 -16.895 -9.701 -5.350 0.00 0.00 WAT1 ATOM 2440 H1 TIP3 356 -17.615 -9.261 -5.801 0.00 0.00 WAT1 ATOM 2441 H2 TIP3 356 -17.261 -9.952 -4.501 0.00 0.00 WAT1 ATOM 2442 OH2 TIP3 357 -17.480 -11.078 -8.439 0.00 0.00 WAT1 ATOM 2443 H1 TIP3 357 -17.499 -11.503 -7.582 0.00 0.00 WAT1 ATOM 2444 H2 TIP3 357 -16.675 -11.396 -8.848 0.00 0.00 WAT1 ATOM 2445 OH2 TIP3 358 -15.339 -12.368 -9.784 0.00 0.00 WAT1 ATOM 2446 H1 TIP3 358 -15.558 -13.284 -9.615 0.00 0.00 WAT1 ATOM 2447 H2 TIP3 358 -14.515 -12.228 -9.318 0.00 0.00 WAT1 ATOM 2448 OH2 TIP3 359 -2.656 -11.081 -14.191 0.00 0.00 WAT1 ATOM 2449 H1 TIP3 359 -2.850 -11.829 -14.756 0.00 0.00 WAT1 ATOM 2450 H2 TIP3 359 -2.695 -10.323 -14.775 0.00 0.00 WAT1 ATOM 2451 OH2 TIP3 360 -17.009 -27.086 -2.452 0.00 0.00 WAT1 ATOM 2452 H1 TIP3 360 -17.375 -27.851 -2.009 0.00 0.00 WAT1 ATOM 2453 H2 TIP3 360 -16.096 -27.057 -2.165 0.00 0.00 WAT1 ATOM 2454 OH2 TIP3 361 -15.036 -27.735 -0.916 0.00 0.00 WAT1 ATOM 2455 H1 TIP3 361 -14.137 -28.009 -1.101 0.00 0.00 WAT1 ATOM 2456 H2 TIP3 361 -15.422 -28.478 -0.452 0.00 0.00 WAT1 ATOM 2457 OH2 TIP3 362 -6.614 -28.403 -0.734 0.00 0.00 WAT1 ATOM 2458 H1 TIP3 362 -6.538 -28.829 0.120 0.00 0.00 WAT1 ATOM 2459 H2 TIP3 362 -5.721 -28.389 -1.076 0.00 0.00 WAT1 ATOM 2460 OH2 TIP3 363 -18.343 -19.302 7.911 0.00 0.00 WAT1 ATOM 2461 H1 TIP3 363 -18.129 -20.072 8.438 0.00 0.00 WAT1 ATOM 2462 H2 TIP3 363 -17.605 -19.213 7.308 0.00 0.00 WAT1 ATOM 2463 OH2 TIP3 364 -14.483 -15.703 13.419 0.00 0.00 WAT1 ATOM 2464 H1 TIP3 364 -14.489 -14.824 13.041 0.00 0.00 WAT1 ATOM 2465 H2 TIP3 364 -15.337 -15.786 13.844 0.00 0.00 WAT1 ATOM 2466 OH2 TIP3 365 -18.362 -16.032 4.201 0.00 0.00 WAT1 ATOM 2467 H1 TIP3 365 -18.634 -15.803 3.312 0.00 0.00 WAT1 ATOM 2468 H2 TIP3 365 -18.317 -15.194 4.661 0.00 0.00 WAT1 ATOM 2469 OH2 TIP3 366 -15.949 -18.994 14.711 0.00 0.00 WAT1 ATOM 2470 H1 TIP3 366 -15.879 -18.343 15.409 0.00 0.00 WAT1 ATOM 2471 H2 TIP3 366 -16.840 -18.891 14.376 0.00 0.00 WAT1 ATOM 2472 OH2 TIP3 367 -14.630 -13.120 16.246 0.00 0.00 WAT1 ATOM 2473 H1 TIP3 367 -14.622 -13.256 15.298 0.00 0.00 WAT1 ATOM 2474 H2 TIP3 367 -15.546 -13.238 16.498 0.00 0.00 WAT1 ATOM 2475 OH2 TIP3 368 -15.126 -19.290 4.721 0.00 0.00 WAT1 ATOM 2476 H1 TIP3 368 -15.418 -18.522 4.230 0.00 0.00 WAT1 ATOM 2477 H2 TIP3 368 -15.800 -19.950 4.558 0.00 0.00 WAT1 ATOM 2478 OH2 TIP3 369 -19.033 -16.927 13.536 0.00 0.00 WAT1 ATOM 2479 H1 TIP3 369 -19.534 -16.955 12.721 0.00 0.00 WAT1 ATOM 2480 H2 TIP3 369 -19.027 -17.833 13.846 0.00 0.00 WAT1 ATOM 2481 OH2 TIP3 370 -19.282 -14.147 10.420 0.00 0.00 WAT1 ATOM 2482 H1 TIP3 370 -18.336 -14.291 10.401 0.00 0.00 WAT1 ATOM 2483 H2 TIP3 370 -19.395 -13.363 10.957 0.00 0.00 WAT1 ATOM 2484 OH2 TIP3 371 -9.692 -10.135 4.784 0.00 0.00 WAT1 ATOM 2485 H1 TIP3 371 -9.767 -10.256 3.838 0.00 0.00 WAT1 ATOM 2486 H2 TIP3 371 -9.659 -9.185 4.903 0.00 0.00 WAT1 ATOM 2487 OH2 TIP3 372 -16.038 -11.346 6.565 0.00 0.00 WAT1 ATOM 2488 H1 TIP3 372 -15.886 -11.694 7.444 0.00 0.00 WAT1 ATOM 2489 H2 TIP3 372 -16.889 -11.702 6.310 0.00 0.00 WAT1 ATOM 2490 OH2 TIP3 373 -16.784 -15.604 14.579 0.00 0.00 WAT1 ATOM 2491 H1 TIP3 373 -16.567 -15.965 15.439 0.00 0.00 WAT1 ATOM 2492 H2 TIP3 373 -17.639 -15.978 14.369 0.00 0.00 WAT1 ATOM 2493 OH2 TIP3 374 -12.958 -24.474 0.335 0.00 0.00 WAT1 ATOM 2494 H1 TIP3 374 -13.389 -24.919 1.065 0.00 0.00 WAT1 ATOM 2495 H2 TIP3 374 -13.676 -24.102 -0.177 0.00 0.00 WAT1 ATOM 2496 OH2 TIP3 375 -18.441 -23.986 2.811 0.00 0.00 WAT1 ATOM 2497 H1 TIP3 375 -17.967 -23.395 2.226 0.00 0.00 WAT1 ATOM 2498 H2 TIP3 375 -19.159 -23.455 3.158 0.00 0.00 WAT1 ATOM 2499 OH2 TIP3 376 -14.340 -21.696 1.718 0.00 0.00 WAT1 ATOM 2500 H1 TIP3 376 -14.882 -22.076 1.027 0.00 0.00 WAT1 ATOM 2501 H2 TIP3 376 -13.506 -21.502 1.289 0.00 0.00 WAT1 ATOM 2502 OH2 TIP3 377 -18.872 -19.375 14.738 0.00 0.00 WAT1 ATOM 2503 H1 TIP3 377 -18.649 -19.793 15.570 0.00 0.00 WAT1 ATOM 2504 H2 TIP3 377 -19.474 -19.988 14.316 0.00 0.00 WAT1 ATOM 2505 OH2 TIP3 378 -13.505 -14.318 6.828 0.00 0.00 WAT1 ATOM 2506 H1 TIP3 378 -12.978 -13.545 6.627 0.00 0.00 WAT1 ATOM 2507 H2 TIP3 378 -14.385 -14.093 6.526 0.00 0.00 WAT1 ATOM 2508 OH2 TIP3 379 -17.750 -19.456 1.415 0.00 0.00 WAT1 ATOM 2509 H1 TIP3 379 -17.134 -18.829 1.794 0.00 0.00 WAT1 ATOM 2510 H2 TIP3 379 -18.612 -19.140 1.686 0.00 0.00 WAT1 ATOM 2511 OH2 TIP3 380 -13.394 -11.633 5.949 0.00 0.00 WAT1 ATOM 2512 H1 TIP3 380 -14.344 -11.528 6.001 0.00 0.00 WAT1 ATOM 2513 H2 TIP3 380 -13.043 -10.813 6.294 0.00 0.00 WAT1 ATOM 2514 OH2 TIP3 381 -17.587 -12.817 12.731 0.00 0.00 WAT1 ATOM 2515 H1 TIP3 381 -17.370 -13.749 12.700 0.00 0.00 WAT1 ATOM 2516 H2 TIP3 381 -17.340 -12.543 13.615 0.00 0.00 WAT1 ATOM 2517 OH2 TIP3 382 -12.788 -14.796 2.397 0.00 0.00 WAT1 ATOM 2518 H1 TIP3 382 -12.641 -15.316 3.187 0.00 0.00 WAT1 ATOM 2519 H2 TIP3 382 -12.791 -13.889 2.703 0.00 0.00 WAT1 ATOM 2520 OH2 TIP3 383 -16.335 -17.543 2.907 0.00 0.00 WAT1 ATOM 2521 H1 TIP3 383 -17.021 -17.191 3.474 0.00 0.00 WAT1 ATOM 2522 H2 TIP3 383 -15.812 -16.780 2.661 0.00 0.00 WAT1 ATOM 2523 OH2 TIP3 384 -17.403 -22.265 0.920 0.00 0.00 WAT1 ATOM 2524 H1 TIP3 384 -17.448 -21.326 1.099 0.00 0.00 WAT1 ATOM 2525 H2 TIP3 384 -18.291 -22.501 0.650 0.00 0.00 WAT1 ATOM 2526 OH2 TIP3 385 -17.665 -13.543 5.754 0.00 0.00 WAT1 ATOM 2527 H1 TIP3 385 -18.497 -13.070 5.781 0.00 0.00 WAT1 ATOM 2528 H2 TIP3 385 -17.119 -13.033 5.155 0.00 0.00 WAT1 ATOM 2529 OH2 TIP3 386 -13.779 -12.011 18.704 0.00 0.00 WAT1 ATOM 2530 H1 TIP3 386 -13.011 -12.470 19.045 0.00 0.00 WAT1 ATOM 2531 H2 TIP3 386 -13.800 -12.237 17.774 0.00 0.00 WAT1 ATOM 2532 OH2 TIP3 387 -18.469 -17.120 18.038 0.00 0.00 WAT1 ATOM 2533 H1 TIP3 387 -18.325 -18.022 17.752 0.00 0.00 WAT1 ATOM 2534 H2 TIP3 387 -19.242 -16.834 17.550 0.00 0.00 WAT1 ATOM 2535 OH2 TIP3 388 -12.979 -18.804 2.476 0.00 0.00 WAT1 ATOM 2536 H1 TIP3 388 -13.438 -19.288 3.162 0.00 0.00 WAT1 ATOM 2537 H2 TIP3 388 -12.724 -19.472 1.840 0.00 0.00 WAT1 ATOM 2538 OH2 TIP3 389 -19.793 -9.841 6.300 0.00 0.00 WAT1 ATOM 2539 H1 TIP3 389 -20.440 -10.303 5.767 0.00 0.00 WAT1 ATOM 2540 H2 TIP3 389 -19.438 -10.513 6.883 0.00 0.00 WAT1 ATOM 2541 OH2 TIP3 390 -18.923 -11.760 8.105 0.00 0.00 WAT1 ATOM 2542 H1 TIP3 390 -19.257 -12.641 8.277 0.00 0.00 WAT1 ATOM 2543 H2 TIP3 390 -18.701 -11.415 8.969 0.00 0.00 WAT1 ATOM 2544 OH2 TIP3 391 -3.048 -22.143 0.925 0.00 0.00 WAT1 ATOM 2545 H1 TIP3 391 -2.951 -21.476 0.245 0.00 0.00 WAT1 ATOM 2546 H2 TIP3 391 -3.188 -22.959 0.443 0.00 0.00 WAT1 ATOM 2547 OH2 TIP3 392 -18.843 -18.685 10.556 0.00 0.00 WAT1 ATOM 2548 H1 TIP3 392 -18.659 -18.767 9.621 0.00 0.00 WAT1 ATOM 2549 H2 TIP3 392 -17.994 -18.809 10.980 0.00 0.00 WAT1 ATOM 2550 OH2 TIP3 393 -3.800 -24.735 0.042 0.00 0.00 WAT1 ATOM 2551 H1 TIP3 393 -3.190 -25.107 0.679 0.00 0.00 WAT1 ATOM 2552 H2 TIP3 393 -4.637 -25.157 0.238 0.00 0.00 WAT1 ATOM 2553 OH2 TIP3 394 -1.688 -25.850 1.585 0.00 0.00 WAT1 ATOM 2554 H1 TIP3 394 -1.275 -26.571 1.109 0.00 0.00 WAT1 ATOM 2555 H2 TIP3 394 -1.006 -25.180 1.643 0.00 0.00 WAT1 ATOM 2556 OH2 TIP3 395 -19.407 -25.845 4.712 0.00 0.00 WAT1 ATOM 2557 H1 TIP3 395 -20.332 -25.636 4.582 0.00 0.00 WAT1 ATOM 2558 H2 TIP3 395 -18.953 -25.361 4.022 0.00 0.00 WAT1 ATOM 2559 OH2 TIP3 396 -19.443 -27.107 13.056 0.00 0.00 WAT1 ATOM 2560 H1 TIP3 396 -20.108 -27.353 13.699 0.00 0.00 WAT1 ATOM 2561 H2 TIP3 396 -19.886 -26.485 12.479 0.00 0.00 WAT1 ATOM 2562 OH2 TIP3 397 -17.251 -13.932 17.200 0.00 0.00 WAT1 ATOM 2563 H1 TIP3 397 -18.072 -13.757 16.740 0.00 0.00 WAT1 ATOM 2564 H2 TIP3 397 -17.503 -14.005 18.121 0.00 0.00 WAT1 ATOM 2565 OH2 TIP3 398 -14.297 -12.957 13.459 0.00 0.00 WAT1 ATOM 2566 H1 TIP3 398 -14.722 -12.148 13.176 0.00 0.00 WAT1 ATOM 2567 H2 TIP3 398 -13.392 -12.872 13.157 0.00 0.00 WAT1 ATOM 2568 OH2 TIP3 399 -14.428 -10.101 12.536 0.00 0.00 WAT1 ATOM 2569 H1 TIP3 399 -15.293 -10.029 12.940 0.00 0.00 WAT1 ATOM 2570 H2 TIP3 399 -14.483 -9.554 11.752 0.00 0.00 WAT1 ATOM 2571 OH2 TIP3 400 -17.480 -11.078 10.417 0.00 0.00 WAT1 ATOM 2572 H1 TIP3 400 -17.499 -11.503 11.274 0.00 0.00 WAT1 ATOM 2573 H2 TIP3 400 -16.675 -11.396 10.008 0.00 0.00 WAT1 ATOM 2574 OH2 TIP3 401 -15.339 -12.368 9.072 0.00 0.00 WAT1 ATOM 2575 H1 TIP3 401 -15.558 -13.284 9.241 0.00 0.00 WAT1 ATOM 2576 H2 TIP3 401 -14.515 -12.228 9.538 0.00 0.00 WAT1 ATOM 2577 OH2 TIP3 402 -18.130 -27.802 2.690 0.00 0.00 WAT1 ATOM 2578 H1 TIP3 402 -17.691 -27.191 2.099 0.00 0.00 WAT1 ATOM 2579 H2 TIP3 402 -18.764 -27.264 3.164 0.00 0.00 WAT1 ATOM 2580 OH2 TIP3 403 -16.269 -25.886 1.133 0.00 0.00 WAT1 ATOM 2581 H1 TIP3 403 -15.778 -26.516 0.605 0.00 0.00 WAT1 ATOM 2582 H2 TIP3 403 -15.646 -25.590 1.796 0.00 0.00 WAT1 ATOM 2583 OH2 TIP3 404 -2.656 -11.081 4.665 0.00 0.00 WAT1 ATOM 2584 H1 TIP3 404 -2.850 -11.829 4.100 0.00 0.00 WAT1 ATOM 2585 H2 TIP3 404 -2.695 -10.323 4.081 0.00 0.00 WAT1 ATOM 2586 OH2 TIP3 405 -16.587 -19.574 30.713 0.00 0.00 WAT1 ATOM 2587 H1 TIP3 405 -16.545 -20.200 31.437 0.00 0.00 WAT1 ATOM 2588 H2 TIP3 405 -15.884 -18.951 30.895 0.00 0.00 WAT1 ATOM 2589 OH2 TIP3 406 -5.249 -16.250 27.422 0.00 0.00 WAT1 ATOM 2590 H1 TIP3 406 -5.690 -16.970 27.872 0.00 0.00 WAT1 ATOM 2591 H2 TIP3 406 -5.262 -15.529 28.052 0.00 0.00 WAT1 ATOM 2592 OH2 TIP3 407 -15.663 -15.124 29.248 0.00 0.00 WAT1 ATOM 2593 H1 TIP3 407 -16.033 -15.926 28.879 0.00 0.00 WAT1 ATOM 2594 H2 TIP3 407 -14.722 -15.293 29.295 0.00 0.00 WAT1 ATOM 2595 OH2 TIP3 408 -19.053 -21.464 24.641 0.00 0.00 WAT1 ATOM 2596 H1 TIP3 408 -19.501 -20.618 24.623 0.00 0.00 WAT1 ATOM 2597 H2 TIP3 408 -19.614 -22.044 24.126 0.00 0.00 WAT1 ATOM 2598 OH2 TIP3 409 -18.343 -19.302 26.767 0.00 0.00 WAT1 ATOM 2599 H1 TIP3 409 -18.129 -20.072 27.294 0.00 0.00 WAT1 ATOM 2600 H2 TIP3 409 -17.605 -19.213 26.164 0.00 0.00 WAT1 ATOM 2601 OH2 TIP3 410 -8.138 -11.145 27.634 0.00 0.00 WAT1 ATOM 2602 H1 TIP3 410 -7.518 -11.822 27.361 0.00 0.00 WAT1 ATOM 2603 H2 TIP3 410 -8.346 -11.363 28.542 0.00 0.00 WAT1 ATOM 2604 OH2 TIP3 411 -17.650 -21.864 27.888 0.00 0.00 WAT1 ATOM 2605 H1 TIP3 411 -16.996 -22.414 28.320 0.00 0.00 WAT1 ATOM 2606 H2 TIP3 411 -17.626 -22.138 26.972 0.00 0.00 WAT1 ATOM 2607 OH2 TIP3 412 -14.483 -15.703 32.275 0.00 0.00 WAT1 ATOM 2608 H1 TIP3 412 -14.489 -14.824 31.897 0.00 0.00 WAT1 ATOM 2609 H2 TIP3 412 -15.337 -15.786 32.700 0.00 0.00 WAT1 ATOM 2610 OH2 TIP3 413 -18.362 -16.032 23.057 0.00 0.00 WAT1 ATOM 2611 H1 TIP3 413 -18.634 -15.803 22.168 0.00 0.00 WAT1 ATOM 2612 H2 TIP3 413 -18.317 -15.194 23.517 0.00 0.00 WAT1 ATOM 2613 OH2 TIP3 414 -4.737 -14.410 29.770 0.00 0.00 WAT1 ATOM 2614 H1 TIP3 414 -5.679 -14.352 29.931 0.00 0.00 WAT1 ATOM 2615 H2 TIP3 414 -4.461 -13.504 29.633 0.00 0.00 WAT1 ATOM 2616 OH2 TIP3 415 -6.485 -12.629 26.395 0.00 0.00 WAT1 ATOM 2617 H1 TIP3 415 -6.060 -13.336 25.910 0.00 0.00 WAT1 ATOM 2618 H2 TIP3 415 -6.168 -11.828 25.978 0.00 0.00 WAT1 ATOM 2619 OH2 TIP3 416 -3.640 -16.162 33.381 0.00 0.00 WAT1 ATOM 2620 H1 TIP3 416 -3.500 -16.753 32.642 0.00 0.00 WAT1 ATOM 2621 H2 TIP3 416 -3.472 -15.289 33.025 0.00 0.00 WAT1 ATOM 2622 OH2 TIP3 417 -7.440 -14.088 30.355 0.00 0.00 WAT1 ATOM 2623 H1 TIP3 417 -7.681 -13.426 31.003 0.00 0.00 WAT1 ATOM 2624 H2 TIP3 417 -7.638 -14.922 30.780 0.00 0.00 WAT1 ATOM 2625 OH2 TIP3 418 -12.869 -15.192 34.338 0.00 0.00 WAT1 ATOM 2626 H1 TIP3 418 -13.181 -14.410 34.794 0.00 0.00 WAT1 ATOM 2627 H2 TIP3 418 -13.519 -15.345 33.652 0.00 0.00 WAT1 ATOM 2628 OH2 TIP3 419 -15.949 -18.994 33.567 0.00 0.00 WAT1 ATOM 2629 H1 TIP3 419 -15.879 -18.343 34.265 0.00 0.00 WAT1 ATOM 2630 H2 TIP3 419 -16.840 -18.891 33.232 0.00 0.00 WAT1 ATOM 2631 OH2 TIP3 420 -9.164 -13.091 25.225 0.00 0.00 WAT1 ATOM 2632 H1 TIP3 420 -8.690 -12.796 26.003 0.00 0.00 WAT1 ATOM 2633 H2 TIP3 420 -9.727 -12.353 24.992 0.00 0.00 WAT1 ATOM 2634 OH2 TIP3 421 -19.282 -14.147 29.276 0.00 0.00 WAT1 ATOM 2635 H1 TIP3 421 -18.336 -14.291 29.257 0.00 0.00 WAT1 ATOM 2636 H2 TIP3 421 -19.395 -13.363 29.813 0.00 0.00 WAT1 ATOM 2637 OH2 TIP3 422 -1.085 -13.481 34.958 0.00 0.00 WAT1 ATOM 2638 H1 TIP3 422 -1.134 -14.436 34.921 0.00 0.00 WAT1 ATOM 2639 H2 TIP3 422 -1.911 -13.213 35.360 0.00 0.00 WAT1 ATOM 2640 OH2 TIP3 423 -10.106 -13.907 33.834 0.00 0.00 WAT1 ATOM 2641 H1 TIP3 423 -10.019 -13.081 34.309 0.00 0.00 WAT1 ATOM 2642 H2 TIP3 423 -10.970 -14.237 34.083 0.00 0.00 WAT1 ATOM 2643 OH2 TIP3 424 -9.692 -10.135 23.640 0.00 0.00 WAT1 ATOM 2644 H1 TIP3 424 -9.767 -10.256 22.694 0.00 0.00 WAT1 ATOM 2645 H2 TIP3 424 -9.659 -9.185 23.759 0.00 0.00 WAT1 ATOM 2646 OH2 TIP3 425 -16.038 -11.346 25.421 0.00 0.00 WAT1 ATOM 2647 H1 TIP3 425 -15.886 -11.694 26.300 0.00 0.00 WAT1 ATOM 2648 H2 TIP3 425 -16.889 -11.702 25.166 0.00 0.00 WAT1 ATOM 2649 OH2 TIP3 426 -6.590 -10.981 20.643 0.00 0.00 WAT1 ATOM 2650 H1 TIP3 426 -6.215 -11.725 20.172 0.00 0.00 WAT1 ATOM 2651 H2 TIP3 426 -6.586 -11.251 21.561 0.00 0.00 WAT1 ATOM 2652 OH2 TIP3 427 -6.921 -11.055 23.392 0.00 0.00 WAT1 ATOM 2653 H1 TIP3 427 -7.856 -10.955 23.571 0.00 0.00 WAT1 ATOM 2654 H2 TIP3 427 -6.641 -11.764 23.970 0.00 0.00 WAT1 ATOM 2655 OH2 TIP3 428 -16.784 -15.604 33.435 0.00 0.00 WAT1 ATOM 2656 H1 TIP3 428 -16.567 -15.965 34.295 0.00 0.00 WAT1 ATOM 2657 H2 TIP3 428 -17.639 -15.978 33.225 0.00 0.00 WAT1 ATOM 2658 OH2 TIP3 429 -16.324 -21.848 32.393 0.00 0.00 WAT1 ATOM 2659 H1 TIP3 429 -16.362 -21.448 33.261 0.00 0.00 WAT1 ATOM 2660 H2 TIP3 429 -16.815 -22.665 32.483 0.00 0.00 WAT1 ATOM 2661 OH2 TIP3 430 -19.716 -24.732 26.243 0.00 0.00 WAT1 ATOM 2662 H1 TIP3 430 -19.085 -24.761 26.963 0.00 0.00 WAT1 ATOM 2663 H2 TIP3 430 -19.266 -25.157 25.513 0.00 0.00 WAT1 ATOM 2664 OH2 TIP3 431 -18.441 -23.986 21.667 0.00 0.00 WAT1 ATOM 2665 H1 TIP3 431 -17.967 -23.395 21.082 0.00 0.00 WAT1 ATOM 2666 H2 TIP3 431 -19.159 -23.455 22.014 0.00 0.00 WAT1 ATOM 2667 OH2 TIP3 432 -16.205 -17.139 35.673 0.00 0.00 WAT1 ATOM 2668 H1 TIP3 432 -15.472 -16.885 36.234 0.00 0.00 WAT1 ATOM 2669 H2 TIP3 432 -16.985 -16.935 36.188 0.00 0.00 WAT1 ATOM 2670 OH2 TIP3 433 -18.872 -19.375 33.594 0.00 0.00 WAT1 ATOM 2671 H1 TIP3 433 -18.649 -19.793 34.426 0.00 0.00 WAT1 ATOM 2672 H2 TIP3 433 -19.474 -19.988 33.172 0.00 0.00 WAT1 ATOM 2673 OH2 TIP3 434 -7.235 -14.485 33.697 0.00 0.00 WAT1 ATOM 2674 H1 TIP3 434 -8.136 -14.302 33.429 0.00 0.00 WAT1 ATOM 2675 H2 TIP3 434 -7.201 -14.226 34.618 0.00 0.00 WAT1 ATOM 2676 OH2 TIP3 435 -11.563 -12.506 31.575 0.00 0.00 WAT1 ATOM 2677 H1 TIP3 435 -11.200 -11.651 31.342 0.00 0.00 WAT1 ATOM 2678 H2 TIP3 435 -11.031 -12.798 32.316 0.00 0.00 WAT1 ATOM 2679 OH2 TIP3 436 -13.394 -11.633 24.805 0.00 0.00 WAT1 ATOM 2680 H1 TIP3 436 -14.344 -11.528 24.857 0.00 0.00 WAT1 ATOM 2681 H2 TIP3 436 -13.043 -10.813 25.150 0.00 0.00 WAT1 ATOM 2682 OH2 TIP3 437 -5.360 -11.855 33.745 0.00 0.00 WAT1 ATOM 2683 H1 TIP3 437 -5.962 -12.410 33.250 0.00 0.00 WAT1 ATOM 2684 H2 TIP3 437 -5.079 -11.188 33.119 0.00 0.00 WAT1 ATOM 2685 OH2 TIP3 438 -17.238 -24.622 33.152 0.00 0.00 WAT1 ATOM 2686 H1 TIP3 438 -18.131 -24.283 33.085 0.00 0.00 WAT1 ATOM 2687 H2 TIP3 438 -17.337 -25.477 33.570 0.00 0.00 WAT1 ATOM 2688 OH2 TIP3 439 -15.719 -14.929 20.660 0.00 0.00 WAT1 ATOM 2689 H1 TIP3 439 -15.127 -14.230 20.936 0.00 0.00 WAT1 ATOM 2690 H2 TIP3 439 -15.260 -15.362 19.941 0.00 0.00 WAT1 ATOM 2691 OH2 TIP3 440 -4.090 -11.601 29.712 0.00 0.00 WAT1 ATOM 2692 H1 TIP3 440 -4.246 -10.923 29.055 0.00 0.00 WAT1 ATOM 2693 H2 TIP3 440 -3.158 -11.529 29.915 0.00 0.00 WAT1 ATOM 2694 OH2 TIP3 441 -17.665 -13.543 24.610 0.00 0.00 WAT1 ATOM 2695 H1 TIP3 441 -18.497 -13.070 24.637 0.00 0.00 WAT1 ATOM 2696 H2 TIP3 441 -17.119 -13.033 24.011 0.00 0.00 WAT1 ATOM 2697 OH2 TIP3 442 -7.202 -13.631 36.289 0.00 0.00 WAT1 ATOM 2698 H1 TIP3 442 -7.553 -14.487 36.532 0.00 0.00 WAT1 ATOM 2699 H2 TIP3 442 -6.476 -13.488 36.896 0.00 0.00 WAT1 ATOM 2700 OH2 TIP3 443 -18.469 -17.120 36.894 0.00 0.00 WAT1 ATOM 2701 H1 TIP3 443 -18.325 -18.022 36.608 0.00 0.00 WAT1 ATOM 2702 H2 TIP3 443 -19.242 -16.834 36.406 0.00 0.00 WAT1 ATOM 2703 OH2 TIP3 444 -11.814 -17.150 36.327 0.00 0.00 WAT1 ATOM 2704 H1 TIP3 444 -12.142 -16.879 35.469 0.00 0.00 WAT1 ATOM 2705 H2 TIP3 444 -11.662 -18.091 36.239 0.00 0.00 WAT1 ATOM 2706 OH2 TIP3 445 -6.079 -17.234 33.710 0.00 0.00 WAT1 ATOM 2707 H1 TIP3 445 -5.334 -16.646 33.590 0.00 0.00 WAT1 ATOM 2708 H2 TIP3 445 -6.836 -16.652 33.773 0.00 0.00 WAT1 ATOM 2709 OH2 TIP3 446 -17.637 -19.920 36.314 0.00 0.00 WAT1 ATOM 2710 H1 TIP3 446 -17.229 -20.777 36.193 0.00 0.00 WAT1 ATOM 2711 H2 TIP3 446 -17.897 -19.905 37.235 0.00 0.00 WAT1 ATOM 2712 OH2 TIP3 447 -8.670 -18.440 36.966 0.00 0.00 WAT1 ATOM 2713 H1 TIP3 447 -7.717 -18.356 36.938 0.00 0.00 WAT1 ATOM 2714 H2 TIP3 447 -8.830 -19.151 37.585 0.00 0.00 WAT1 ATOM 2715 OH2 TIP3 448 -6.940 -21.932 37.531 0.00 0.00 WAT1 ATOM 2716 H1 TIP3 448 -6.748 -22.863 37.420 0.00 0.00 WAT1 ATOM 2717 H2 TIP3 448 -6.083 -21.507 37.521 0.00 0.00 WAT1 ATOM 2718 OH2 TIP3 449 -12.010 -9.870 20.596 0.00 0.00 WAT1 ATOM 2719 H1 TIP3 449 -11.077 -9.712 20.740 0.00 0.00 WAT1 ATOM 2720 H2 TIP3 449 -12.274 -9.195 19.971 0.00 0.00 WAT1 ATOM 2721 OH2 TIP3 450 -18.442 -15.234 20.079 0.00 0.00 WAT1 ATOM 2722 H1 TIP3 450 -17.528 -15.155 20.352 0.00 0.00 WAT1 ATOM 2723 H2 TIP3 450 -18.435 -15.921 19.412 0.00 0.00 WAT1 ATOM 2724 OH2 TIP3 451 -1.374 -10.951 29.941 0.00 0.00 WAT1 ATOM 2725 H1 TIP3 451 -1.396 -10.766 30.880 0.00 0.00 WAT1 ATOM 2726 H2 TIP3 451 -0.684 -10.382 29.600 0.00 0.00 WAT1 ATOM 2727 OH2 TIP3 452 -3.360 -15.594 37.501 0.00 0.00 WAT1 ATOM 2728 H1 TIP3 452 -4.226 -15.699 37.895 0.00 0.00 WAT1 ATOM 2729 H2 TIP3 452 -2.984 -14.835 37.948 0.00 0.00 WAT1 ATOM 2730 OH2 TIP3 453 -3.419 -13.621 32.094 0.00 0.00 WAT1 ATOM 2731 H1 TIP3 453 -4.067 -13.296 32.719 0.00 0.00 WAT1 ATOM 2732 H2 TIP3 453 -3.937 -14.061 31.419 0.00 0.00 WAT1 ATOM 2733 OH2 TIP3 454 -18.843 -18.685 29.412 0.00 0.00 WAT1 ATOM 2734 H1 TIP3 454 -18.659 -18.767 28.477 0.00 0.00 WAT1 ATOM 2735 H2 TIP3 454 -17.994 -18.809 29.836 0.00 0.00 WAT1 ATOM 2736 OH2 TIP3 455 -19.245 -23.414 35.553 0.00 0.00 WAT1 ATOM 2737 H1 TIP3 455 -18.326 -23.536 35.789 0.00 0.00 WAT1 ATOM 2738 H2 TIP3 455 -19.695 -24.164 35.942 0.00 0.00 WAT1 ATOM 2739 OH2 TIP3 456 -1.244 -27.882 37.430 0.00 0.00 WAT1 ATOM 2740 H1 TIP3 456 -0.894 -28.536 36.824 0.00 0.00 WAT1 ATOM 2741 H2 TIP3 456 -1.097 -27.045 36.990 0.00 0.00 WAT1 ATOM 2742 OH2 TIP3 457 -19.720 -22.103 29.513 0.00 0.00 WAT1 ATOM 2743 H1 TIP3 457 -19.228 -22.324 28.723 0.00 0.00 WAT1 ATOM 2744 H2 TIP3 457 -19.358 -21.262 29.794 0.00 0.00 WAT1 ATOM 2745 OH2 TIP3 458 -1.724 -25.773 35.779 0.00 0.00 WAT1 ATOM 2746 H1 TIP3 458 -2.641 -25.502 35.743 0.00 0.00 WAT1 ATOM 2747 H2 TIP3 458 -1.601 -26.308 34.995 0.00 0.00 WAT1 ATOM 2748 OH2 TIP3 459 -19.407 -25.845 23.568 0.00 0.00 WAT1 ATOM 2749 H1 TIP3 459 -20.332 -25.636 23.438 0.00 0.00 WAT1 ATOM 2750 H2 TIP3 459 -18.953 -25.361 22.878 0.00 0.00 WAT1 ATOM 2751 OH2 TIP3 460 -4.636 -10.861 25.513 0.00 0.00 WAT1 ATOM 2752 H1 TIP3 460 -3.983 -11.208 24.905 0.00 0.00 WAT1 ATOM 2753 H2 TIP3 460 -4.125 -10.372 26.159 0.00 0.00 WAT1 ATOM 2754 OH2 TIP3 461 -19.443 -27.107 31.912 0.00 0.00 WAT1 ATOM 2755 H1 TIP3 461 -20.108 -27.353 32.555 0.00 0.00 WAT1 ATOM 2756 H2 TIP3 461 -19.886 -26.485 31.335 0.00 0.00 WAT1 ATOM 2757 OH2 TIP3 462 -14.297 -12.957 32.315 0.00 0.00 WAT1 ATOM 2758 H1 TIP3 462 -14.722 -12.148 32.032 0.00 0.00 WAT1 ATOM 2759 H2 TIP3 462 -13.392 -12.872 32.013 0.00 0.00 WAT1 ATOM 2760 OH2 TIP3 463 -9.717 -10.213 30.568 0.00 0.00 WAT1 ATOM 2761 H1 TIP3 463 -10.174 -9.684 29.914 0.00 0.00 WAT1 ATOM 2762 H2 TIP3 463 -9.554 -9.610 31.293 0.00 0.00 WAT1 ATOM 2763 OH2 TIP3 464 -7.390 -11.335 31.513 0.00 0.00 WAT1 ATOM 2764 H1 TIP3 464 -8.294 -11.170 31.247 0.00 0.00 WAT1 ATOM 2765 H2 TIP3 464 -6.961 -10.482 31.447 0.00 0.00 WAT1 ATOM 2766 OH2 TIP3 465 -15.339 -12.368 27.928 0.00 0.00 WAT1 ATOM 2767 H1 TIP3 465 -15.558 -13.284 28.097 0.00 0.00 WAT1 ATOM 2768 H2 TIP3 465 -14.515 -12.228 28.394 0.00 0.00 WAT1 ATOM 2769 OH2 TIP3 466 -12.802 -11.898 28.776 0.00 0.00 WAT1 ATOM 2770 H1 TIP3 466 -12.589 -12.786 28.489 0.00 0.00 WAT1 ATOM 2771 H2 TIP3 466 -12.737 -11.932 29.731 0.00 0.00 WAT1 ATOM 2772 OH2 TIP3 467 -18.130 -27.802 21.546 0.00 0.00 WAT1 ATOM 2773 H1 TIP3 467 -17.691 -27.191 20.955 0.00 0.00 WAT1 ATOM 2774 H2 TIP3 467 -18.764 -27.264 22.020 0.00 0.00 WAT1 ATOM 2775 OH2 TIP3 468 -18.229 -11.854 22.444 0.00 0.00 WAT1 ATOM 2776 H1 TIP3 468 -18.914 -11.892 21.776 0.00 0.00 WAT1 ATOM 2777 H2 TIP3 468 -18.226 -10.941 22.732 0.00 0.00 WAT1 ATOM 2778 OH2 TIP3 469 -2.656 -11.081 23.521 0.00 0.00 WAT1 ATOM 2779 H1 TIP3 469 -2.850 -11.829 22.956 0.00 0.00 WAT1 ATOM 2780 H2 TIP3 469 -2.695 -10.323 22.937 0.00 0.00 WAT1 ATOM 2781 OH2 TIP3 470 -17.009 -27.086 35.260 0.00 0.00 WAT1 ATOM 2782 H1 TIP3 470 -17.375 -27.851 35.703 0.00 0.00 WAT1 ATOM 2783 H2 TIP3 470 -16.096 -27.057 35.547 0.00 0.00 WAT1 ATOM 2784 OH2 TIP3 471 -15.036 -27.735 36.796 0.00 0.00 WAT1 ATOM 2785 H1 TIP3 471 -14.137 -28.009 36.611 0.00 0.00 WAT1 ATOM 2786 H2 TIP3 471 -15.422 -28.478 37.260 0.00 0.00 WAT1 ATOM 2787 OH2 TIP3 472 -16.411 -10.934 19.469 0.00 0.00 WAT1 ATOM 2788 H1 TIP3 472 -16.679 -10.647 20.342 0.00 0.00 WAT1 ATOM 2789 H2 TIP3 472 -15.640 -11.480 19.621 0.00 0.00 WAT1 ATOM 2790 OH2 TIP3 473 -6.614 -28.403 36.978 0.00 0.00 WAT1 ATOM 2791 H1 TIP3 473 -6.538 -28.829 37.832 0.00 0.00 WAT1 ATOM 2792 H2 TIP3 473 -5.721 -28.389 36.636 0.00 0.00 WAT1 ATOM 2793 OH2 TIP3 474 -9.167 -19.200 42.009 0.00 0.00 WAT1 ATOM 2794 H1 TIP3 474 -9.879 -18.665 41.658 0.00 0.00 WAT1 ATOM 2795 H2 TIP3 474 -8.476 -19.144 41.349 0.00 0.00 WAT1 ATOM 2796 OH2 TIP3 475 -9.113 -20.742 39.048 0.00 0.00 WAT1 ATOM 2797 H1 TIP3 475 -8.412 -20.720 39.699 0.00 0.00 WAT1 ATOM 2798 H2 TIP3 475 -8.811 -21.370 38.392 0.00 0.00 WAT1 ATOM 2799 OH2 TIP3 476 -6.890 -19.828 40.646 0.00 0.00 WAT1 ATOM 2800 H1 TIP3 476 -6.311 -19.678 41.393 0.00 0.00 WAT1 ATOM 2801 H2 TIP3 476 -6.476 -19.357 39.923 0.00 0.00 WAT1 ATOM 2802 OH2 TIP3 477 -3.192 -28.078 40.459 0.00 0.00 WAT1 ATOM 2803 H1 TIP3 477 -4.091 -27.939 40.754 0.00 0.00 WAT1 ATOM 2804 H2 TIP3 477 -2.940 -27.247 40.057 0.00 0.00 WAT1 ATOM 2805 OH2 TIP3 478 -15.126 -19.290 42.433 0.00 0.00 WAT1 ATOM 2806 H1 TIP3 478 -15.418 -18.522 41.942 0.00 0.00 WAT1 ATOM 2807 H2 TIP3 478 -15.800 -19.950 42.270 0.00 0.00 WAT1 ATOM 2808 OH2 TIP3 479 -5.413 -18.795 38.276 0.00 0.00 WAT1 ATOM 2809 H1 TIP3 479 -5.371 -19.018 37.346 0.00 0.00 WAT1 ATOM 2810 H2 TIP3 479 -4.564 -18.397 38.466 0.00 0.00 WAT1 ATOM 2811 OH2 TIP3 480 -9.840 -24.919 38.946 0.00 0.00 WAT1 ATOM 2812 H1 TIP3 480 -10.094 -24.900 39.869 0.00 0.00 WAT1 ATOM 2813 H2 TIP3 480 -10.097 -25.791 38.645 0.00 0.00 WAT1 ATOM 2814 OH2 TIP3 481 -14.077 -21.947 44.294 0.00 0.00 WAT1 ATOM 2815 H1 TIP3 481 -14.970 -22.288 44.235 0.00 0.00 WAT1 ATOM 2816 H2 TIP3 481 -13.626 -22.324 43.538 0.00 0.00 WAT1 ATOM 2817 OH2 TIP3 482 -18.441 -23.986 40.523 0.00 0.00 WAT1 ATOM 2818 H1 TIP3 482 -17.967 -23.395 39.938 0.00 0.00 WAT1 ATOM 2819 H2 TIP3 482 -19.159 -23.455 40.870 0.00 0.00 WAT1 ATOM 2820 OH2 TIP3 483 -16.667 -22.891 44.207 0.00 0.00 WAT1 ATOM 2821 H1 TIP3 483 -17.556 -22.791 43.867 0.00 0.00 WAT1 ATOM 2822 H2 TIP3 483 -16.371 -23.733 43.861 0.00 0.00 WAT1 ATOM 2823 OH2 TIP3 484 -13.014 -22.891 41.863 0.00 0.00 WAT1 ATOM 2824 H1 TIP3 484 -12.082 -22.762 42.041 0.00 0.00 WAT1 ATOM 2825 H2 TIP3 484 -13.229 -22.221 41.214 0.00 0.00 WAT1 ATOM 2826 OH2 TIP3 485 -15.173 -25.596 43.685 0.00 0.00 WAT1 ATOM 2827 H1 TIP3 485 -15.490 -26.498 43.650 0.00 0.00 WAT1 ATOM 2828 H2 TIP3 485 -14.392 -25.594 43.133 0.00 0.00 WAT1 ATOM 2829 OH2 TIP3 486 -11.005 -17.131 41.366 0.00 0.00 WAT1 ATOM 2830 H1 TIP3 486 -11.749 -17.638 41.043 0.00 0.00 WAT1 ATOM 2831 H2 TIP3 486 -11.139 -17.082 42.312 0.00 0.00 WAT1 ATOM 2832 OH2 TIP3 487 -7.107 -24.317 39.565 0.00 0.00 WAT1 ATOM 2833 H1 TIP3 487 -8.045 -24.205 39.414 0.00 0.00 WAT1 ATOM 2834 H2 TIP3 487 -6.810 -23.460 39.871 0.00 0.00 WAT1 ATOM 2835 OH2 TIP3 488 -6.389 -22.450 41.226 0.00 0.00 WAT1 ATOM 2836 H1 TIP3 488 -5.497 -22.587 41.545 0.00 0.00 WAT1 ATOM 2837 H2 TIP3 488 -6.332 -21.659 40.689 0.00 0.00 WAT1 ATOM 2838 OH2 TIP3 489 -1.504 -22.240 40.920 0.00 0.00 WAT1 ATOM 2839 H1 TIP3 489 -2.058 -22.636 40.248 0.00 0.00 WAT1 ATOM 2840 H2 TIP3 489 -1.403 -21.330 40.643 0.00 0.00 WAT1 ATOM 2841 OH2 TIP3 490 -17.750 -19.456 39.127 0.00 0.00 WAT1 ATOM 2842 H1 TIP3 490 -17.134 -18.829 39.506 0.00 0.00 WAT1 ATOM 2843 H2 TIP3 490 -18.612 -19.140 39.398 0.00 0.00 WAT1 ATOM 2844 OH2 TIP3 491 -11.725 -14.366 37.653 0.00 0.00 WAT1 ATOM 2845 H1 TIP3 491 -11.486 -15.114 37.105 0.00 0.00 WAT1 ATOM 2846 H2 TIP3 491 -11.994 -14.754 38.485 0.00 0.00 WAT1 ATOM 2847 OH2 TIP3 492 -12.788 -14.796 40.109 0.00 0.00 WAT1 ATOM 2848 H1 TIP3 492 -12.641 -15.316 40.899 0.00 0.00 WAT1 ATOM 2849 H2 TIP3 492 -12.791 -13.889 40.415 0.00 0.00 WAT1 ATOM 2850 OH2 TIP3 493 -16.335 -17.543 40.619 0.00 0.00 WAT1 ATOM 2851 H1 TIP3 493 -17.021 -17.191 41.186 0.00 0.00 WAT1 ATOM 2852 H2 TIP3 493 -15.812 -16.780 40.373 0.00 0.00 WAT1 ATOM 2853 OH2 TIP3 494 -7.719 -25.229 41.995 0.00 0.00 WAT1 ATOM 2854 H1 TIP3 494 -7.499 -24.757 41.192 0.00 0.00 WAT1 ATOM 2855 H2 TIP3 494 -7.161 -24.834 42.666 0.00 0.00 WAT1 ATOM 2856 OH2 TIP3 495 -10.519 -23.501 42.830 0.00 0.00 WAT1 ATOM 2857 H1 TIP3 495 -9.707 -22.997 42.876 0.00 0.00 WAT1 ATOM 2858 H2 TIP3 495 -10.764 -23.646 43.744 0.00 0.00 WAT1 ATOM 2859 OH2 TIP3 496 -13.978 -25.357 40.456 0.00 0.00 WAT1 ATOM 2860 H1 TIP3 496 -14.061 -24.468 40.802 0.00 0.00 WAT1 ATOM 2861 H2 TIP3 496 -13.088 -25.622 40.687 0.00 0.00 WAT1 ATOM 2862 OH2 TIP3 497 -14.128 -16.776 37.882 0.00 0.00 WAT1 ATOM 2863 H1 TIP3 497 -14.064 -17.570 38.413 0.00 0.00 WAT1 ATOM 2864 H2 TIP3 497 -13.475 -16.895 37.193 0.00 0.00 WAT1 ATOM 2865 OH2 TIP3 498 -8.776 -15.729 37.618 0.00 0.00 WAT1 ATOM 2866 H1 TIP3 498 -9.044 -15.549 38.519 0.00 0.00 WAT1 ATOM 2867 H2 TIP3 498 -8.982 -16.655 37.487 0.00 0.00 WAT1 ATOM 2868 OH2 TIP3 499 -12.979 -18.804 40.188 0.00 0.00 WAT1 ATOM 2869 H1 TIP3 499 -13.438 -19.288 40.874 0.00 0.00 WAT1 ATOM 2870 H2 TIP3 499 -12.724 -19.472 39.552 0.00 0.00 WAT1 ATOM 2871 OH2 TIP3 500 -2.518 -18.206 37.896 0.00 0.00 WAT1 ATOM 2872 H1 TIP3 500 -2.791 -18.631 37.083 0.00 0.00 WAT1 ATOM 2873 H2 TIP3 500 -2.478 -17.275 37.679 0.00 0.00 WAT1 ATOM 2874 OH2 TIP3 501 -1.397 -19.383 40.086 0.00 0.00 WAT1 ATOM 2875 H1 TIP3 501 -1.918 -19.026 39.367 0.00 0.00 WAT1 ATOM 2876 H2 TIP3 501 -1.430 -18.708 40.764 0.00 0.00 WAT1 ATOM 2877 OH2 TIP3 502 -3.048 -22.143 38.637 0.00 0.00 WAT1 ATOM 2878 H1 TIP3 502 -2.951 -21.476 37.957 0.00 0.00 WAT1 ATOM 2879 H2 TIP3 502 -3.188 -22.959 38.155 0.00 0.00 WAT1 ATOM 2880 OH2 TIP3 503 -3.800 -24.735 37.754 0.00 0.00 WAT1 ATOM 2881 H1 TIP3 503 -3.190 -25.107 38.391 0.00 0.00 WAT1 ATOM 2882 H2 TIP3 503 -4.637 -25.157 37.950 0.00 0.00 WAT1 ATOM 2883 OH2 TIP3 504 -1.688 -25.850 39.297 0.00 0.00 WAT1 ATOM 2884 H1 TIP3 504 -1.275 -26.571 38.821 0.00 0.00 WAT1 ATOM 2885 H2 TIP3 504 -1.006 -25.180 39.355 0.00 0.00 WAT1 ATOM 2886 OH2 TIP3 505 -18.130 -27.802 40.402 0.00 0.00 WAT1 ATOM 2887 H1 TIP3 505 -17.691 -27.191 39.811 0.00 0.00 WAT1 ATOM 2888 H2 TIP3 505 -18.764 -27.264 40.876 0.00 0.00 WAT1 ATOM 2889 OH2 TIP3 506 -11.243 -25.593 41.302 0.00 0.00 WAT1 ATOM 2890 H1 TIP3 506 -11.065 -26.239 41.985 0.00 0.00 WAT1 ATOM 2891 H2 TIP3 506 -11.297 -24.759 41.769 0.00 0.00 WAT1 ATOM 2892 OH2 TIP3 507 -16.587 -0.718 -6.999 0.00 0.00 WAT1 ATOM 2893 H1 TIP3 507 -16.545 -1.344 -6.275 0.00 0.00 WAT1 ATOM 2894 H2 TIP3 507 -15.884 -0.095 -6.817 0.00 0.00 WAT1 ATOM 2895 OH2 TIP3 508 -1.903 -6.299 -7.325 0.00 0.00 WAT1 ATOM 2896 H1 TIP3 508 -1.854 -5.689 -6.589 0.00 0.00 WAT1 ATOM 2897 H2 TIP3 508 -1.477 -5.838 -8.048 0.00 0.00 WAT1 ATOM 2898 OH2 TIP3 509 -7.425 -3.506 -7.858 0.00 0.00 WAT1 ATOM 2899 H1 TIP3 509 -7.282 -4.453 -7.838 0.00 0.00 WAT1 ATOM 2900 H2 TIP3 509 -7.531 -3.299 -8.787 0.00 0.00 WAT1 ATOM 2901 OH2 TIP3 510 -6.548 -5.274 -12.185 0.00 0.00 WAT1 ATOM 2902 H1 TIP3 510 -5.902 -5.603 -11.560 0.00 0.00 WAT1 ATOM 2903 H2 TIP3 510 -6.038 -4.756 -12.808 0.00 0.00 WAT1 ATOM 2904 OH2 TIP3 511 -1.511 -4.821 -5.089 0.00 0.00 WAT1 ATOM 2905 H1 TIP3 511 -2.200 -4.163 -5.184 0.00 0.00 WAT1 ATOM 2906 H2 TIP3 511 -1.496 -5.018 -4.152 0.00 0.00 WAT1 ATOM 2907 OH2 TIP3 512 -15.460 -6.487 -6.512 0.00 0.00 WAT1 ATOM 2908 H1 TIP3 512 -15.679 -5.957 -7.278 0.00 0.00 WAT1 ATOM 2909 H2 TIP3 512 -16.128 -6.260 -5.864 0.00 0.00 WAT1 ATOM 2910 OH2 TIP3 513 -12.891 1.189 -6.224 0.00 0.00 WAT1 ATOM 2911 H1 TIP3 513 -13.631 1.787 -6.121 0.00 0.00 WAT1 ATOM 2912 H2 TIP3 513 -12.177 1.743 -6.540 0.00 0.00 WAT1 ATOM 2913 OH2 TIP3 514 -4.784 -5.983 -10.204 0.00 0.00 WAT1 ATOM 2914 H1 TIP3 514 -4.999 -6.749 -9.672 0.00 0.00 WAT1 ATOM 2915 H2 TIP3 514 -4.128 -5.511 -9.691 0.00 0.00 WAT1 ATOM 2916 OH2 TIP3 515 -15.866 -4.595 -8.559 0.00 0.00 WAT1 ATOM 2917 H1 TIP3 515 -15.253 -3.962 -8.186 0.00 0.00 WAT1 ATOM 2918 H2 TIP3 515 -15.354 -5.067 -9.216 0.00 0.00 WAT1 ATOM 2919 OH2 TIP3 516 -14.483 3.153 -5.437 0.00 0.00 WAT1 ATOM 2920 H1 TIP3 516 -14.489 4.032 -5.815 0.00 0.00 WAT1 ATOM 2921 H2 TIP3 516 -15.337 3.070 -5.012 0.00 0.00 WAT1 ATOM 2922 OH2 TIP3 517 -11.434 -9.181 -9.059 0.00 0.00 WAT1 ATOM 2923 H1 TIP3 517 -11.551 -10.130 -9.113 0.00 0.00 WAT1 ATOM 2924 H2 TIP3 517 -12.289 -8.849 -8.786 0.00 0.00 WAT1 ATOM 2925 OH2 TIP3 518 -5.864 -1.960 -4.539 0.00 0.00 WAT1 ATOM 2926 H1 TIP3 518 -5.784 -1.197 -3.967 0.00 0.00 WAT1 ATOM 2927 H2 TIP3 518 -6.465 -1.681 -5.230 0.00 0.00 WAT1 ATOM 2928 OH2 TIP3 519 -13.749 -0.735 -8.091 0.00 0.00 WAT1 ATOM 2929 H1 TIP3 519 -13.184 -0.614 -8.854 0.00 0.00 WAT1 ATOM 2930 H2 TIP3 519 -13.430 -0.098 -7.452 0.00 0.00 WAT1 ATOM 2931 OH2 TIP3 520 -12.869 3.664 -3.374 0.00 0.00 WAT1 ATOM 2932 H1 TIP3 520 -13.181 4.446 -2.918 0.00 0.00 WAT1 ATOM 2933 H2 TIP3 520 -13.519 3.511 -4.060 0.00 0.00 WAT1 ATOM 2934 OH2 TIP3 521 -15.949 -0.138 -4.145 0.00 0.00 WAT1 ATOM 2935 H1 TIP3 521 -15.879 0.513 -3.447 0.00 0.00 WAT1 ATOM 2936 H2 TIP3 521 -16.840 -0.035 -4.480 0.00 0.00 WAT1 ATOM 2937 OH2 TIP3 522 -19.033 1.929 -5.320 0.00 0.00 WAT1 ATOM 2938 H1 TIP3 522 -19.534 1.901 -6.135 0.00 0.00 WAT1 ATOM 2939 H2 TIP3 522 -19.027 1.023 -5.010 0.00 0.00 WAT1 ATOM 2940 OH2 TIP3 523 -3.933 -3.132 -2.274 0.00 0.00 WAT1 ATOM 2941 H1 TIP3 523 -4.340 -2.651 -2.994 0.00 0.00 WAT1 ATOM 2942 H2 TIP3 523 -3.892 -4.037 -2.581 0.00 0.00 WAT1 ATOM 2943 OH2 TIP3 524 -16.784 3.252 -4.277 0.00 0.00 WAT1 ATOM 2944 H1 TIP3 524 -16.567 2.891 -3.417 0.00 0.00 WAT1 ATOM 2945 H2 TIP3 524 -17.639 2.878 -4.487 0.00 0.00 WAT1 ATOM 2946 OH2 TIP3 525 -14.165 -8.278 -8.281 0.00 0.00 WAT1 ATOM 2947 H1 TIP3 525 -15.026 -8.365 -8.689 0.00 0.00 WAT1 ATOM 2948 H2 TIP3 525 -14.187 -7.422 -7.854 0.00 0.00 WAT1 ATOM 2949 OH2 TIP3 526 -6.176 -4.800 -4.053 0.00 0.00 WAT1 ATOM 2950 H1 TIP3 526 -6.690 -4.926 -3.256 0.00 0.00 WAT1 ATOM 2951 H2 TIP3 526 -6.331 -3.888 -4.298 0.00 0.00 WAT1 ATOM 2952 OH2 TIP3 527 -14.074 -3.312 -7.186 0.00 0.00 WAT1 ATOM 2953 H1 TIP3 527 -14.716 -3.353 -6.477 0.00 0.00 WAT1 ATOM 2954 H2 TIP3 527 -14.037 -2.386 -7.424 0.00 0.00 WAT1 ATOM 2955 OH2 TIP3 528 -7.537 -3.229 -10.643 0.00 0.00 WAT1 ATOM 2956 H1 TIP3 528 -7.732 -2.624 -11.358 0.00 0.00 WAT1 ATOM 2957 H2 TIP3 528 -7.355 -4.063 -11.078 0.00 0.00 WAT1 ATOM 2958 OH2 TIP3 529 -16.324 -2.992 -5.319 0.00 0.00 WAT1 ATOM 2959 H1 TIP3 529 -16.362 -2.592 -4.451 0.00 0.00 WAT1 ATOM 2960 H2 TIP3 529 -16.815 -3.809 -5.229 0.00 0.00 WAT1 ATOM 2961 OH2 TIP3 530 -8.273 -1.591 -5.972 0.00 0.00 WAT1 ATOM 2962 H1 TIP3 530 -7.949 -2.222 -6.615 0.00 0.00 WAT1 ATOM 2963 H2 TIP3 530 -8.713 -2.126 -5.311 0.00 0.00 WAT1 ATOM 2964 OH2 TIP3 531 -11.495 -5.664 -11.188 0.00 0.00 WAT1 ATOM 2965 H1 TIP3 531 -12.406 -5.607 -10.899 0.00 0.00 WAT1 ATOM 2966 H2 TIP3 531 -10.990 -5.724 -10.377 0.00 0.00 WAT1 ATOM 2967 OH2 TIP3 532 -16.205 1.717 -2.039 0.00 0.00 WAT1 ATOM 2968 H1 TIP3 532 -15.472 1.971 -1.478 0.00 0.00 WAT1 ATOM 2969 H2 TIP3 532 -16.985 1.921 -1.524 0.00 0.00 WAT1 ATOM 2970 OH2 TIP3 533 -10.175 -2.876 -9.301 0.00 0.00 WAT1 ATOM 2971 H1 TIP3 533 -9.611 -3.423 -9.848 0.00 0.00 WAT1 ATOM 2972 H2 TIP3 533 -10.323 -3.398 -8.512 0.00 0.00 WAT1 ATOM 2973 OH2 TIP3 534 -11.549 -4.488 -6.887 0.00 0.00 WAT1 ATOM 2974 H1 TIP3 534 -12.384 -4.034 -6.777 0.00 0.00 WAT1 ATOM 2975 H2 TIP3 534 -11.025 -4.212 -6.135 0.00 0.00 WAT1 ATOM 2976 OH2 TIP3 535 -9.485 1.909 -3.965 0.00 0.00 WAT1 ATOM 2977 H1 TIP3 535 -9.831 1.528 -3.159 0.00 0.00 WAT1 ATOM 2978 H2 TIP3 535 -9.685 2.843 -3.894 0.00 0.00 WAT1 ATOM 2979 OH2 TIP3 536 -18.872 -0.519 -4.118 0.00 0.00 WAT1 ATOM 2980 H1 TIP3 536 -18.649 -0.937 -3.286 0.00 0.00 WAT1 ATOM 2981 H2 TIP3 536 -19.474 -1.132 -4.540 0.00 0.00 WAT1 ATOM 2982 OH2 TIP3 537 -8.503 -6.025 -5.670 0.00 0.00 WAT1 ATOM 2983 H1 TIP3 537 -7.805 -5.951 -5.020 0.00 0.00 WAT1 ATOM 2984 H2 TIP3 537 -8.884 -6.889 -5.515 0.00 0.00 WAT1 ATOM 2985 OH2 TIP3 538 -7.719 -6.373 -14.573 0.00 0.00 WAT1 ATOM 2986 H1 TIP3 538 -7.499 -5.901 -15.376 0.00 0.00 WAT1 ATOM 2987 H2 TIP3 538 -7.161 -5.978 -13.902 0.00 0.00 WAT1 ATOM 2988 OH2 TIP3 539 -9.983 -3.659 -4.553 0.00 0.00 WAT1 ATOM 2989 H1 TIP3 539 -9.864 -3.085 -3.796 0.00 0.00 WAT1 ATOM 2990 H2 TIP3 539 -9.328 -4.347 -4.438 0.00 0.00 WAT1 ATOM 2991 OH2 TIP3 540 -9.635 -7.564 -12.800 0.00 0.00 WAT1 ATOM 2992 H1 TIP3 540 -9.982 -6.946 -12.155 0.00 0.00 WAT1 ATOM 2993 H2 TIP3 540 -8.977 -7.063 -13.281 0.00 0.00 WAT1 ATOM 2994 OH2 TIP3 541 -3.779 -5.752 -3.718 0.00 0.00 WAT1 ATOM 2995 H1 TIP3 541 -4.695 -5.489 -3.806 0.00 0.00 WAT1 ATOM 2996 H2 TIP3 541 -3.443 -5.755 -4.615 0.00 0.00 WAT1 ATOM 2997 OH2 TIP3 542 -5.177 -2.001 -9.622 0.00 0.00 WAT1 ATOM 2998 H1 TIP3 542 -5.974 -2.416 -9.951 0.00 0.00 WAT1 ATOM 2999 H2 TIP3 542 -4.732 -2.692 -9.131 0.00 0.00 WAT1 ATOM 3000 OH2 TIP3 543 -16.595 -8.627 -9.263 0.00 0.00 WAT1 ATOM 3001 H1 TIP3 543 -16.824 -8.568 -10.190 0.00 0.00 WAT1 ATOM 3002 H2 TIP3 543 -17.038 -9.419 -8.956 0.00 0.00 WAT1 ATOM 3003 OH2 TIP3 544 -18.469 1.736 -0.818 0.00 0.00 WAT1 ATOM 3004 H1 TIP3 544 -18.325 0.834 -1.104 0.00 0.00 WAT1 ATOM 3005 H2 TIP3 544 -19.242 2.022 -1.306 0.00 0.00 WAT1 ATOM 3006 OH2 TIP3 545 -11.814 1.706 -1.385 0.00 0.00 WAT1 ATOM 3007 H1 TIP3 545 -12.142 1.977 -2.243 0.00 0.00 WAT1 ATOM 3008 H2 TIP3 545 -11.662 0.765 -1.473 0.00 0.00 WAT1 ATOM 3009 OH2 TIP3 546 -6.079 1.622 -4.002 0.00 0.00 WAT1 ATOM 3010 H1 TIP3 546 -5.334 2.210 -4.122 0.00 0.00 WAT1 ATOM 3011 H2 TIP3 546 -6.836 2.204 -3.939 0.00 0.00 WAT1 ATOM 3012 OH2 TIP3 547 -12.938 -6.330 -5.449 0.00 0.00 WAT1 ATOM 3013 H1 TIP3 547 -12.402 -5.879 -6.101 0.00 0.00 WAT1 ATOM 3014 H2 TIP3 547 -13.790 -6.438 -5.871 0.00 0.00 WAT1 ATOM 3015 OH2 TIP3 548 -11.356 -0.891 -5.209 0.00 0.00 WAT1 ATOM 3016 H1 TIP3 548 -10.605 -1.047 -5.782 0.00 0.00 WAT1 ATOM 3017 H2 TIP3 548 -11.695 -0.039 -5.485 0.00 0.00 WAT1 ATOM 3018 OH2 TIP3 549 -5.624 -0.287 -2.103 0.00 0.00 WAT1 ATOM 3019 H1 TIP3 549 -5.905 0.422 -2.681 0.00 0.00 WAT1 ATOM 3020 H2 TIP3 549 -4.681 -0.360 -2.254 0.00 0.00 WAT1 ATOM 3021 OH2 TIP3 550 -3.022 0.063 -2.671 0.00 0.00 WAT1 ATOM 3022 H1 TIP3 550 -2.439 -0.671 -2.480 0.00 0.00 WAT1 ATOM 3023 H2 TIP3 550 -2.458 0.835 -2.625 0.00 0.00 WAT1 ATOM 3024 OH2 TIP3 551 -1.525 -2.034 -1.987 0.00 0.00 WAT1 ATOM 3025 H1 TIP3 551 -2.388 -2.413 -2.152 0.00 0.00 WAT1 ATOM 3026 H2 TIP3 551 -0.921 -2.773 -2.061 0.00 0.00 WAT1 ATOM 3027 OH2 TIP3 552 -3.556 -3.743 -8.412 0.00 0.00 WAT1 ATOM 3028 H1 TIP3 552 -2.623 -3.531 -8.446 0.00 0.00 WAT1 ATOM 3029 H2 TIP3 552 -3.791 -3.641 -7.489 0.00 0.00 WAT1 ATOM 3030 OH2 TIP3 553 -3.527 -3.006 -5.636 0.00 0.00 WAT1 ATOM 3031 H1 TIP3 553 -4.370 -2.738 -5.270 0.00 0.00 WAT1 ATOM 3032 H2 TIP3 553 -3.084 -2.184 -5.847 0.00 0.00 WAT1 ATOM 3033 OH2 TIP3 554 -3.554 -7.061 -13.799 0.00 0.00 WAT1 ATOM 3034 H1 TIP3 554 -3.372 -7.510 -12.974 0.00 0.00 WAT1 ATOM 3035 H2 TIP3 554 -4.154 -7.646 -14.263 0.00 0.00 WAT1 ATOM 3036 OH2 TIP3 555 -18.024 -6.246 -9.268 0.00 0.00 WAT1 ATOM 3037 H1 TIP3 555 -17.579 -7.038 -8.966 0.00 0.00 WAT1 ATOM 3038 H2 TIP3 555 -17.558 -5.530 -8.837 0.00 0.00 WAT1 ATOM 3039 OH2 TIP3 556 -19.720 -3.247 -8.199 0.00 0.00 WAT1 ATOM 3040 H1 TIP3 556 -19.228 -3.468 -8.989 0.00 0.00 WAT1 ATOM 3041 H2 TIP3 556 -19.358 -2.406 -7.918 0.00 0.00 WAT1 ATOM 3042 OH2 TIP3 557 -1.724 -6.917 -1.933 0.00 0.00 WAT1 ATOM 3043 H1 TIP3 557 -2.641 -6.646 -1.969 0.00 0.00 WAT1 ATOM 3044 H2 TIP3 557 -1.601 -7.452 -2.717 0.00 0.00 WAT1 ATOM 3045 OH2 TIP3 558 -19.443 -8.251 -5.800 0.00 0.00 WAT1 ATOM 3046 H1 TIP3 558 -20.108 -8.497 -5.157 0.00 0.00 WAT1 ATOM 3047 H2 TIP3 558 -19.886 -7.629 -6.377 0.00 0.00 WAT1 ATOM 3048 OH2 TIP3 559 -9.293 -7.378 -9.791 0.00 0.00 WAT1 ATOM 3049 H1 TIP3 559 -9.968 -8.007 -9.536 0.00 0.00 WAT1 ATOM 3050 H2 TIP3 559 -8.729 -7.862 -10.394 0.00 0.00 WAT1 ATOM 3051 OH2 TIP3 560 -2.424 -8.132 -11.345 0.00 0.00 WAT1 ATOM 3052 H1 TIP3 560 -1.812 -8.646 -11.872 0.00 0.00 WAT1 ATOM 3053 H2 TIP3 560 -2.041 -7.254 -11.322 0.00 0.00 WAT1 ATOM 3054 OH2 TIP3 561 -12.387 -8.817 -12.156 0.00 0.00 WAT1 ATOM 3055 H1 TIP3 561 -11.513 -8.429 -12.186 0.00 0.00 WAT1 ATOM 3056 H2 TIP3 561 -12.523 -9.032 -11.233 0.00 0.00 WAT1 ATOM 3057 OH2 TIP3 562 -5.477 -8.761 -14.814 0.00 0.00 WAT1 ATOM 3058 H1 TIP3 562 -6.180 -8.147 -15.024 0.00 0.00 WAT1 ATOM 3059 H2 TIP3 562 -5.922 -9.599 -14.683 0.00 0.00 WAT1 ATOM 3060 OH2 TIP3 563 -7.888 0.412 6.845 0.00 0.00 WAT1 ATOM 3061 H1 TIP3 563 -7.799 1.356 6.713 0.00 0.00 WAT1 ATOM 3062 H2 TIP3 563 -8.527 0.137 6.187 0.00 0.00 WAT1 ATOM 3063 OH2 TIP3 564 -19.053 -2.608 5.785 0.00 0.00 WAT1 ATOM 3064 H1 TIP3 564 -19.501 -1.762 5.767 0.00 0.00 WAT1 ATOM 3065 H2 TIP3 564 -19.614 -3.188 5.270 0.00 0.00 WAT1 ATOM 3066 OH2 TIP3 565 -1.903 -6.299 11.531 0.00 0.00 WAT1 ATOM 3067 H1 TIP3 565 -1.854 -5.689 12.267 0.00 0.00 WAT1 ATOM 3068 H2 TIP3 565 -1.477 -5.838 10.808 0.00 0.00 WAT1 ATOM 3069 OH2 TIP3 566 -7.425 -3.506 10.998 0.00 0.00 WAT1 ATOM 3070 H1 TIP3 566 -7.282 -4.453 11.018 0.00 0.00 WAT1 ATOM 3071 H2 TIP3 566 -7.531 -3.299 10.069 0.00 0.00 WAT1 ATOM 3072 OH2 TIP3 567 -14.270 -5.405 8.270 0.00 0.00 WAT1 ATOM 3073 H1 TIP3 567 -14.227 -4.545 7.852 0.00 0.00 WAT1 ATOM 3074 H2 TIP3 567 -14.728 -5.957 7.637 0.00 0.00 WAT1 ATOM 3075 OH2 TIP3 568 -6.548 -5.274 6.671 0.00 0.00 WAT1 ATOM 3076 H1 TIP3 568 -5.902 -5.603 7.296 0.00 0.00 WAT1 ATOM 3077 H2 TIP3 568 -6.038 -4.756 6.048 0.00 0.00 WAT1 ATOM 3078 OH2 TIP3 569 -12.494 -1.458 8.248 0.00 0.00 WAT1 ATOM 3079 H1 TIP3 569 -11.878 -1.984 8.757 0.00 0.00 WAT1 ATOM 3080 H2 TIP3 569 -13.080 -2.098 7.844 0.00 0.00 WAT1 ATOM 3081 OH2 TIP3 570 -1.511 -4.821 13.767 0.00 0.00 WAT1 ATOM 3082 H1 TIP3 570 -2.200 -4.163 13.672 0.00 0.00 WAT1 ATOM 3083 H2 TIP3 570 -1.496 -5.018 14.704 0.00 0.00 WAT1 ATOM 3084 OH2 TIP3 571 -8.091 3.013 5.888 0.00 0.00 WAT1 ATOM 3085 H1 TIP3 571 -8.387 2.691 5.037 0.00 0.00 WAT1 ATOM 3086 H2 TIP3 571 -8.415 3.913 5.930 0.00 0.00 WAT1 ATOM 3087 OH2 TIP3 572 -4.784 -5.983 8.652 0.00 0.00 WAT1 ATOM 3088 H1 TIP3 572 -4.999 -6.749 9.184 0.00 0.00 WAT1 ATOM 3089 H2 TIP3 572 -4.128 -5.511 9.165 0.00 0.00 WAT1 ATOM 3090 OH2 TIP3 573 -5.761 -0.134 5.249 0.00 0.00 WAT1 ATOM 3091 H1 TIP3 573 -6.493 0.094 5.822 0.00 0.00 WAT1 ATOM 3092 H2 TIP3 573 -5.314 -0.848 5.704 0.00 0.00 WAT1 ATOM 3093 OH2 TIP3 574 -5.864 -1.960 14.317 0.00 0.00 WAT1 ATOM 3094 H1 TIP3 574 -5.784 -1.197 14.889 0.00 0.00 WAT1 ATOM 3095 H2 TIP3 574 -6.465 -1.681 13.626 0.00 0.00 WAT1 ATOM 3096 OH2 TIP3 575 -14.116 0.496 7.132 0.00 0.00 WAT1 ATOM 3097 H1 TIP3 575 -14.446 0.126 6.313 0.00 0.00 WAT1 ATOM 3098 H2 TIP3 575 -13.528 -0.174 7.478 0.00 0.00 WAT1 ATOM 3099 OH2 TIP3 576 -15.126 -0.434 4.721 0.00 0.00 WAT1 ATOM 3100 H1 TIP3 576 -15.418 0.334 4.230 0.00 0.00 WAT1 ATOM 3101 H2 TIP3 576 -15.800 -1.094 4.558 0.00 0.00 WAT1 ATOM 3102 OH2 TIP3 577 -3.933 -3.132 16.582 0.00 0.00 WAT1 ATOM 3103 H1 TIP3 577 -4.340 -2.651 15.862 0.00 0.00 WAT1 ATOM 3104 H2 TIP3 577 -3.892 -4.037 16.275 0.00 0.00 WAT1 ATOM 3105 OH2 TIP3 578 -14.165 -8.278 10.575 0.00 0.00 WAT1 ATOM 3106 H1 TIP3 578 -15.026 -8.365 10.167 0.00 0.00 WAT1 ATOM 3107 H2 TIP3 578 -14.187 -7.422 11.002 0.00 0.00 WAT1 ATOM 3108 OH2 TIP3 579 -6.176 -4.800 14.803 0.00 0.00 WAT1 ATOM 3109 H1 TIP3 579 -6.690 -4.926 15.600 0.00 0.00 WAT1 ATOM 3110 H2 TIP3 579 -6.331 -3.888 14.558 0.00 0.00 WAT1 ATOM 3111 OH2 TIP3 580 -5.413 0.061 0.564 0.00 0.00 WAT1 ATOM 3112 H1 TIP3 580 -5.371 -0.162 -0.366 0.00 0.00 WAT1 ATOM 3113 H2 TIP3 580 -4.564 0.459 0.754 0.00 0.00 WAT1 ATOM 3114 OH2 TIP3 581 -14.077 -3.091 6.582 0.00 0.00 WAT1 ATOM 3115 H1 TIP3 581 -14.970 -3.432 6.523 0.00 0.00 WAT1 ATOM 3116 H2 TIP3 581 -13.626 -3.468 5.826 0.00 0.00 WAT1 ATOM 3117 OH2 TIP3 582 -7.537 -3.229 8.213 0.00 0.00 WAT1 ATOM 3118 H1 TIP3 582 -7.732 -2.624 7.498 0.00 0.00 WAT1 ATOM 3119 H2 TIP3 582 -7.355 -4.063 7.778 0.00 0.00 WAT1 ATOM 3120 OH2 TIP3 583 -19.716 -5.876 7.387 0.00 0.00 WAT1 ATOM 3121 H1 TIP3 583 -19.085 -5.905 8.107 0.00 0.00 WAT1 ATOM 3122 H2 TIP3 583 -19.266 -6.301 6.657 0.00 0.00 WAT1 ATOM 3123 OH2 TIP3 584 -11.495 -5.664 7.668 0.00 0.00 WAT1 ATOM 3124 H1 TIP3 584 -12.406 -5.607 7.957 0.00 0.00 WAT1 ATOM 3125 H2 TIP3 584 -10.990 -5.724 8.479 0.00 0.00 WAT1 ATOM 3126 OH2 TIP3 585 -16.667 -4.035 6.495 0.00 0.00 WAT1 ATOM 3127 H1 TIP3 585 -17.556 -3.935 6.155 0.00 0.00 WAT1 ATOM 3128 H2 TIP3 585 -16.371 -4.877 6.149 0.00 0.00 WAT1 ATOM 3129 OH2 TIP3 586 -7.090 -6.429 10.932 0.00 0.00 WAT1 ATOM 3130 H1 TIP3 586 -7.767 -6.298 11.596 0.00 0.00 WAT1 ATOM 3131 H2 TIP3 586 -7.576 -6.584 10.122 0.00 0.00 WAT1 ATOM 3132 OH2 TIP3 587 -10.175 -2.876 9.555 0.00 0.00 WAT1 ATOM 3133 H1 TIP3 587 -9.611 -3.423 9.008 0.00 0.00 WAT1 ATOM 3134 H2 TIP3 587 -10.323 -3.398 10.344 0.00 0.00 WAT1 ATOM 3135 OH2 TIP3 588 -15.173 -6.740 5.973 0.00 0.00 WAT1 ATOM 3136 H1 TIP3 588 -15.490 -7.642 5.938 0.00 0.00 WAT1 ATOM 3137 H2 TIP3 588 -14.392 -6.738 5.421 0.00 0.00 WAT1 ATOM 3138 OH2 TIP3 589 -11.549 -4.488 11.969 0.00 0.00 WAT1 ATOM 3139 H1 TIP3 589 -12.384 -4.034 12.079 0.00 0.00 WAT1 ATOM 3140 H2 TIP3 589 -11.025 -4.212 12.721 0.00 0.00 WAT1 ATOM 3141 OH2 TIP3 590 -11.005 1.725 3.654 0.00 0.00 WAT1 ATOM 3142 H1 TIP3 590 -11.749 1.218 3.331 0.00 0.00 WAT1 ATOM 3143 H2 TIP3 590 -11.139 1.774 4.600 0.00 0.00 WAT1 ATOM 3144 OH2 TIP3 591 -8.879 3.184 2.679 0.00 0.00 WAT1 ATOM 3145 H1 TIP3 591 -9.174 4.010 3.061 0.00 0.00 WAT1 ATOM 3146 H2 TIP3 591 -9.582 2.564 2.875 0.00 0.00 WAT1 ATOM 3147 OH2 TIP3 592 -1.504 -3.384 3.208 0.00 0.00 WAT1 ATOM 3148 H1 TIP3 592 -2.058 -3.780 2.536 0.00 0.00 WAT1 ATOM 3149 H2 TIP3 592 -1.403 -2.474 2.931 0.00 0.00 WAT1 ATOM 3150 OH2 TIP3 593 -17.750 -0.600 1.415 0.00 0.00 WAT1 ATOM 3151 H1 TIP3 593 -17.134 0.027 1.794 0.00 0.00 WAT1 ATOM 3152 H2 TIP3 593 -18.612 -0.284 1.686 0.00 0.00 WAT1 ATOM 3153 OH2 TIP3 594 -12.078 2.201 6.404 0.00 0.00 WAT1 ATOM 3154 H1 TIP3 594 -12.319 3.126 6.446 0.00 0.00 WAT1 ATOM 3155 H2 TIP3 594 -12.818 1.742 6.800 0.00 0.00 WAT1 ATOM 3156 OH2 TIP3 595 -5.816 3.378 1.494 0.00 0.00 WAT1 ATOM 3157 H1 TIP3 595 -5.463 2.998 2.298 0.00 0.00 WAT1 ATOM 3158 H2 TIP3 595 -6.765 3.285 1.580 0.00 0.00 WAT1 ATOM 3159 OH2 TIP3 596 -4.950 2.051 3.720 0.00 0.00 WAT1 ATOM 3160 H1 TIP3 596 -5.227 1.323 4.276 0.00 0.00 WAT1 ATOM 3161 H2 TIP3 596 -4.023 2.170 3.926 0.00 0.00 WAT1 ATOM 3162 OH2 TIP3 597 -11.725 4.490 -0.059 0.00 0.00 WAT1 ATOM 3163 H1 TIP3 597 -11.486 3.742 -0.607 0.00 0.00 WAT1 ATOM 3164 H2 TIP3 597 -11.994 4.102 0.773 0.00 0.00 WAT1 ATOM 3165 OH2 TIP3 598 -12.788 4.060 2.397 0.00 0.00 WAT1 ATOM 3166 H1 TIP3 598 -12.641 3.540 3.187 0.00 0.00 WAT1 ATOM 3167 H2 TIP3 598 -12.791 4.967 2.703 0.00 0.00 WAT1 ATOM 3168 OH2 TIP3 599 -16.335 1.313 2.907 0.00 0.00 WAT1 ATOM 3169 H1 TIP3 599 -17.021 1.665 3.474 0.00 0.00 WAT1 ATOM 3170 H2 TIP3 599 -15.812 2.076 2.661 0.00 0.00 WAT1 ATOM 3171 OH2 TIP3 600 -8.503 -6.025 13.186 0.00 0.00 WAT1 ATOM 3172 H1 TIP3 600 -7.805 -5.951 13.836 0.00 0.00 WAT1 ATOM 3173 H2 TIP3 600 -8.884 -6.889 13.341 0.00 0.00 WAT1 ATOM 3174 OH2 TIP3 601 -9.983 -3.659 14.303 0.00 0.00 WAT1 ATOM 3175 H1 TIP3 601 -9.864 -3.085 15.060 0.00 0.00 WAT1 ATOM 3176 H2 TIP3 601 -9.328 -4.347 14.418 0.00 0.00 WAT1 ATOM 3177 OH2 TIP3 602 -9.635 -7.564 6.056 0.00 0.00 WAT1 ATOM 3178 H1 TIP3 602 -9.982 -6.946 6.701 0.00 0.00 WAT1 ATOM 3179 H2 TIP3 602 -8.977 -7.063 5.575 0.00 0.00 WAT1 ATOM 3180 OH2 TIP3 603 -15.719 3.927 1.804 0.00 0.00 WAT1 ATOM 3181 H1 TIP3 603 -15.127 4.626 2.080 0.00 0.00 WAT1 ATOM 3182 H2 TIP3 603 -15.260 3.494 1.085 0.00 0.00 WAT1 ATOM 3183 OH2 TIP3 604 -16.595 -8.627 9.593 0.00 0.00 WAT1 ATOM 3184 H1 TIP3 604 -16.824 -8.568 8.666 0.00 0.00 WAT1 ATOM 3185 H2 TIP3 604 -17.038 -9.419 9.900 0.00 0.00 WAT1 ATOM 3186 OH2 TIP3 605 -14.128 2.080 0.170 0.00 0.00 WAT1 ATOM 3187 H1 TIP3 605 -14.064 1.286 0.701 0.00 0.00 WAT1 ATOM 3188 H2 TIP3 605 -13.475 1.961 -0.519 0.00 0.00 WAT1 ATOM 3189 OH2 TIP3 606 -8.776 3.127 -0.094 0.00 0.00 WAT1 ATOM 3190 H1 TIP3 606 -9.044 3.307 0.807 0.00 0.00 WAT1 ATOM 3191 H2 TIP3 606 -8.982 2.201 -0.225 0.00 0.00 WAT1 ATOM 3192 OH2 TIP3 607 -12.979 0.052 2.476 0.00 0.00 WAT1 ATOM 3193 H1 TIP3 607 -13.438 -0.432 3.162 0.00 0.00 WAT1 ATOM 3194 H2 TIP3 607 -12.724 -0.616 1.840 0.00 0.00 WAT1 ATOM 3195 OH2 TIP3 608 -2.518 0.650 0.184 0.00 0.00 WAT1 ATOM 3196 H1 TIP3 608 -2.791 0.225 -0.629 0.00 0.00 WAT1 ATOM 3197 H2 TIP3 608 -2.478 1.581 -0.033 0.00 0.00 WAT1 ATOM 3198 OH2 TIP3 609 -12.938 -6.330 13.407 0.00 0.00 WAT1 ATOM 3199 H1 TIP3 609 -12.402 -5.879 12.755 0.00 0.00 WAT1 ATOM 3200 H2 TIP3 609 -13.790 -6.438 12.985 0.00 0.00 WAT1 ATOM 3201 OH2 TIP3 610 -6.940 -3.076 18.675 0.00 0.00 WAT1 ATOM 3202 H1 TIP3 610 -6.748 -4.007 18.564 0.00 0.00 WAT1 ATOM 3203 H2 TIP3 610 -6.083 -2.651 18.665 0.00 0.00 WAT1 ATOM 3204 OH2 TIP3 611 -12.132 -8.874 13.839 0.00 0.00 WAT1 ATOM 3205 H1 TIP3 611 -12.230 -7.927 13.733 0.00 0.00 WAT1 ATOM 3206 H2 TIP3 611 -12.875 -9.246 13.363 0.00 0.00 WAT1 ATOM 3207 OH2 TIP3 612 -10.868 -4.552 17.402 0.00 0.00 WAT1 ATOM 3208 H1 TIP3 612 -11.104 -4.772 18.304 0.00 0.00 WAT1 ATOM 3209 H2 TIP3 612 -11.651 -4.759 16.893 0.00 0.00 WAT1 ATOM 3210 OH2 TIP3 613 -8.152 -5.425 16.478 0.00 0.00 WAT1 ATOM 3211 H1 TIP3 613 -9.100 -5.393 16.610 0.00 0.00 WAT1 ATOM 3212 H2 TIP3 613 -7.840 -6.050 17.132 0.00 0.00 WAT1 ATOM 3213 OH2 TIP3 614 -6.518 -6.791 18.483 0.00 0.00 WAT1 ATOM 3214 H1 TIP3 614 -6.615 -7.743 18.477 0.00 0.00 WAT1 ATOM 3215 H2 TIP3 614 -6.840 -6.522 19.344 0.00 0.00 WAT1 ATOM 3216 OH2 TIP3 615 -11.910 -9.580 16.510 0.00 0.00 WAT1 ATOM 3217 H1 TIP3 615 -11.198 -10.220 16.496 0.00 0.00 WAT1 ATOM 3218 H2 TIP3 615 -12.011 -9.313 15.596 0.00 0.00 WAT1 ATOM 3219 OH2 TIP3 616 -11.557 -7.897 18.564 0.00 0.00 WAT1 ATOM 3220 H1 TIP3 616 -11.688 -8.373 17.743 0.00 0.00 WAT1 ATOM 3221 H2 TIP3 616 -12.156 -7.153 18.508 0.00 0.00 WAT1 ATOM 3222 OH2 TIP3 617 -18.442 3.622 1.223 0.00 0.00 WAT1 ATOM 3223 H1 TIP3 617 -17.528 3.701 1.496 0.00 0.00 WAT1 ATOM 3224 H2 TIP3 617 -18.435 2.935 0.556 0.00 0.00 WAT1 ATOM 3225 OH2 TIP3 618 -1.397 -0.527 2.374 0.00 0.00 WAT1 ATOM 3226 H1 TIP3 618 -1.918 -0.170 1.655 0.00 0.00 WAT1 ATOM 3227 H2 TIP3 618 -1.430 0.148 3.052 0.00 0.00 WAT1 ATOM 3228 OH2 TIP3 619 -3.048 -3.287 0.925 0.00 0.00 WAT1 ATOM 3229 H1 TIP3 619 -2.951 -2.620 0.245 0.00 0.00 WAT1 ATOM 3230 H2 TIP3 619 -3.188 -4.103 0.443 0.00 0.00 WAT1 ATOM 3231 OH2 TIP3 620 -3.878 -1.907 6.546 0.00 0.00 WAT1 ATOM 3232 H1 TIP3 620 -4.028 -2.852 6.526 0.00 0.00 WAT1 ATOM 3233 H2 TIP3 620 -4.232 -1.626 7.390 0.00 0.00 WAT1 ATOM 3234 OH2 TIP3 621 -1.525 -2.034 16.869 0.00 0.00 WAT1 ATOM 3235 H1 TIP3 621 -2.388 -2.413 16.704 0.00 0.00 WAT1 ATOM 3236 H2 TIP3 621 -0.921 -2.773 16.795 0.00 0.00 WAT1 ATOM 3237 OH2 TIP3 622 -4.168 -4.324 5.008 0.00 0.00 WAT1 ATOM 3238 H1 TIP3 622 -3.888 -5.231 5.133 0.00 0.00 WAT1 ATOM 3239 H2 TIP3 622 -3.409 -3.890 4.619 0.00 0.00 WAT1 ATOM 3240 OH2 TIP3 623 -3.556 -3.743 10.444 0.00 0.00 WAT1 ATOM 3241 H1 TIP3 623 -2.623 -3.531 10.410 0.00 0.00 WAT1 ATOM 3242 H2 TIP3 623 -3.791 -3.641 11.367 0.00 0.00 WAT1 ATOM 3243 OH2 TIP3 624 -3.527 -3.006 13.220 0.00 0.00 WAT1 ATOM 3244 H1 TIP3 624 -4.370 -2.738 13.586 0.00 0.00 WAT1 ATOM 3245 H2 TIP3 624 -3.084 -2.184 13.009 0.00 0.00 WAT1 ATOM 3246 OH2 TIP3 625 -3.554 -7.061 5.057 0.00 0.00 WAT1 ATOM 3247 H1 TIP3 625 -3.372 -7.510 5.882 0.00 0.00 WAT1 ATOM 3248 H2 TIP3 625 -4.154 -7.646 4.593 0.00 0.00 WAT1 ATOM 3249 OH2 TIP3 626 -1.724 -6.917 16.923 0.00 0.00 WAT1 ATOM 3250 H1 TIP3 626 -2.641 -6.646 16.887 0.00 0.00 WAT1 ATOM 3251 H2 TIP3 626 -1.601 -7.452 16.139 0.00 0.00 WAT1 ATOM 3252 OH2 TIP3 627 -1.688 -6.994 1.585 0.00 0.00 WAT1 ATOM 3253 H1 TIP3 627 -1.275 -7.715 1.109 0.00 0.00 WAT1 ATOM 3254 H2 TIP3 627 -1.006 -6.324 1.643 0.00 0.00 WAT1 ATOM 3255 OH2 TIP3 628 -9.293 -7.378 9.065 0.00 0.00 WAT1 ATOM 3256 H1 TIP3 628 -9.968 -8.007 9.320 0.00 0.00 WAT1 ATOM 3257 H2 TIP3 628 -8.729 -7.862 8.462 0.00 0.00 WAT1 ATOM 3258 OH2 TIP3 629 -4.151 -9.271 9.177 0.00 0.00 WAT1 ATOM 3259 H1 TIP3 629 -3.547 -8.723 8.676 0.00 0.00 WAT1 ATOM 3260 H2 TIP3 629 -5.020 -8.951 8.937 0.00 0.00 WAT1 ATOM 3261 OH2 TIP3 630 -2.424 -8.132 7.511 0.00 0.00 WAT1 ATOM 3262 H1 TIP3 630 -1.812 -8.646 6.984 0.00 0.00 WAT1 ATOM 3263 H2 TIP3 630 -2.041 -7.254 7.534 0.00 0.00 WAT1 ATOM 3264 OH2 TIP3 631 -16.967 -8.744 6.887 0.00 0.00 WAT1 ATOM 3265 H1 TIP3 631 -17.744 -8.978 6.379 0.00 0.00 WAT1 ATOM 3266 H2 TIP3 631 -16.436 -9.541 6.895 0.00 0.00 WAT1 ATOM 3267 OH2 TIP3 632 -12.387 -8.817 6.700 0.00 0.00 WAT1 ATOM 3268 H1 TIP3 632 -11.513 -8.429 6.670 0.00 0.00 WAT1 ATOM 3269 H2 TIP3 632 -12.523 -9.032 7.623 0.00 0.00 WAT1 ATOM 3270 OH2 TIP3 633 -6.830 -8.787 8.349 0.00 0.00 WAT1 ATOM 3271 H1 TIP3 633 -6.754 -8.692 7.400 0.00 0.00 WAT1 ATOM 3272 H2 TIP3 633 -7.106 -9.695 8.478 0.00 0.00 WAT1 ATOM 3273 OH2 TIP3 634 -5.477 -8.761 4.042 0.00 0.00 WAT1 ATOM 3274 H1 TIP3 634 -6.180 -8.147 3.832 0.00 0.00 WAT1 ATOM 3275 H2 TIP3 634 -5.922 -9.599 4.173 0.00 0.00 WAT1 ATOM 3276 OH2 TIP3 635 -15.036 -8.879 17.940 0.00 0.00 WAT1 ATOM 3277 H1 TIP3 635 -14.137 -9.153 17.755 0.00 0.00 WAT1 ATOM 3278 H2 TIP3 635 -15.422 -9.622 18.404 0.00 0.00 WAT1 ATOM 3279 OH2 TIP3 636 -1.903 -6.299 30.387 0.00 0.00 WAT1 ATOM 3280 H1 TIP3 636 -1.854 -5.689 31.123 0.00 0.00 WAT1 ATOM 3281 H2 TIP3 636 -1.477 -5.838 29.664 0.00 0.00 WAT1 ATOM 3282 OH2 TIP3 637 -4.784 -5.983 27.508 0.00 0.00 WAT1 ATOM 3283 H1 TIP3 637 -4.999 -6.749 28.040 0.00 0.00 WAT1 ATOM 3284 H2 TIP3 637 -4.128 -5.511 28.021 0.00 0.00 WAT1 ATOM 3285 OH2 TIP3 638 -3.192 -9.222 21.603 0.00 0.00 WAT1 ATOM 3286 H1 TIP3 638 -4.091 -9.083 21.898 0.00 0.00 WAT1 ATOM 3287 H2 TIP3 638 -2.940 -8.391 21.201 0.00 0.00 WAT1 ATOM 3288 OH2 TIP3 639 -9.840 -6.063 20.090 0.00 0.00 WAT1 ATOM 3289 H1 TIP3 639 -10.094 -6.044 21.013 0.00 0.00 WAT1 ATOM 3290 H2 TIP3 639 -10.097 -6.935 19.789 0.00 0.00 WAT1 ATOM 3291 OH2 TIP3 640 -7.107 -5.461 20.709 0.00 0.00 WAT1 ATOM 3292 H1 TIP3 640 -8.045 -5.349 20.558 0.00 0.00 WAT1 ATOM 3293 H2 TIP3 640 -6.810 -4.604 21.015 0.00 0.00 WAT1 ATOM 3294 OH2 TIP3 641 -1.504 -3.384 22.064 0.00 0.00 WAT1 ATOM 3295 H1 TIP3 641 -2.058 -3.780 21.392 0.00 0.00 WAT1 ATOM 3296 H2 TIP3 641 -1.403 -2.474 21.787 0.00 0.00 WAT1 ATOM 3297 OH2 TIP3 642 -3.048 -3.287 19.781 0.00 0.00 WAT1 ATOM 3298 H1 TIP3 642 -2.951 -2.620 19.101 0.00 0.00 WAT1 ATOM 3299 H2 TIP3 642 -3.188 -4.103 19.299 0.00 0.00 WAT1 ATOM 3300 OH2 TIP3 643 -3.800 -5.879 18.898 0.00 0.00 WAT1 ATOM 3301 H1 TIP3 643 -3.190 -6.251 19.535 0.00 0.00 WAT1 ATOM 3302 H2 TIP3 643 -4.637 -6.301 19.094 0.00 0.00 WAT1 ATOM 3303 OH2 TIP3 644 -4.168 -4.324 23.864 0.00 0.00 WAT1 ATOM 3304 H1 TIP3 644 -3.888 -5.231 23.989 0.00 0.00 WAT1 ATOM 3305 H2 TIP3 644 -3.409 -3.890 23.475 0.00 0.00 WAT1 ATOM 3306 OH2 TIP3 645 -3.556 -3.743 29.300 0.00 0.00 WAT1 ATOM 3307 H1 TIP3 645 -2.623 -3.531 29.266 0.00 0.00 WAT1 ATOM 3308 H2 TIP3 645 -3.791 -3.641 30.223 0.00 0.00 WAT1 ATOM 3309 OH2 TIP3 646 -3.554 -7.061 23.913 0.00 0.00 WAT1 ATOM 3310 H1 TIP3 646 -3.372 -7.510 24.738 0.00 0.00 WAT1 ATOM 3311 H2 TIP3 646 -4.154 -7.646 23.449 0.00 0.00 WAT1 ATOM 3312 OH2 TIP3 647 -1.688 -6.994 20.441 0.00 0.00 WAT1 ATOM 3313 H1 TIP3 647 -1.275 -7.715 19.965 0.00 0.00 WAT1 ATOM 3314 H2 TIP3 647 -1.006 -6.324 20.499 0.00 0.00 WAT1 ATOM 3315 OH2 TIP3 648 -4.151 -9.271 28.033 0.00 0.00 WAT1 ATOM 3316 H1 TIP3 648 -3.547 -8.723 27.532 0.00 0.00 WAT1 ATOM 3317 H2 TIP3 648 -5.020 -8.951 27.793 0.00 0.00 WAT1 ATOM 3318 OH2 TIP3 649 -2.424 -8.132 26.367 0.00 0.00 WAT1 ATOM 3319 H1 TIP3 649 -1.812 -8.646 25.840 0.00 0.00 WAT1 ATOM 3320 H2 TIP3 649 -2.041 -7.254 26.390 0.00 0.00 WAT1 ATOM 3321 OH2 TIP3 650 -12.387 -8.817 25.556 0.00 0.00 WAT1 ATOM 3322 H1 TIP3 650 -11.513 -8.429 25.526 0.00 0.00 WAT1 ATOM 3323 H2 TIP3 650 -12.523 -9.032 26.479 0.00 0.00 WAT1 ATOM 3324 OH2 TIP3 651 -5.477 -8.761 22.898 0.00 0.00 WAT1 ATOM 3325 H1 TIP3 651 -6.180 -8.147 22.688 0.00 0.00 WAT1 ATOM 3326 H2 TIP3 651 -5.922 -9.599 23.029 0.00 0.00 WAT1 ATOM 3327 OH2 TIP3 652 -11.243 -6.737 22.446 0.00 0.00 WAT1 ATOM 3328 H1 TIP3 652 -11.065 -7.383 23.129 0.00 0.00 WAT1 ATOM 3329 H2 TIP3 652 -11.297 -5.903 22.913 0.00 0.00 WAT1 ATOM 3330 OH2 TIP3 653 5.077 -30.867 -0.152 0.00 0.00 WAT1 ATOM 3331 H1 TIP3 653 5.845 -31.326 0.189 0.00 0.00 WAT1 ATOM 3332 H2 TIP3 653 5.056 -31.093 -1.082 0.00 0.00 WAT1 ATOM 3333 OH2 TIP3 654 2.269 -38.430 11.857 0.00 0.00 WAT1 ATOM 3334 H1 TIP3 654 2.311 -39.056 12.581 0.00 0.00 WAT1 ATOM 3335 H2 TIP3 654 2.972 -37.807 12.039 0.00 0.00 WAT1 ATOM 3336 OH2 TIP3 655 3.193 -33.980 10.392 0.00 0.00 WAT1 ATOM 3337 H1 TIP3 655 2.823 -34.782 10.023 0.00 0.00 WAT1 ATOM 3338 H2 TIP3 655 4.134 -34.149 10.439 0.00 0.00 WAT1 ATOM 3339 OH2 TIP3 656 10.718 -30.001 8.778 0.00 0.00 WAT1 ATOM 3340 H1 TIP3 656 11.338 -30.678 8.505 0.00 0.00 WAT1 ATOM 3341 H2 TIP3 656 10.510 -30.219 9.686 0.00 0.00 WAT1 ATOM 3342 OH2 TIP3 657 4.373 -34.559 13.419 0.00 0.00 WAT1 ATOM 3343 H1 TIP3 657 4.367 -33.680 13.041 0.00 0.00 WAT1 ATOM 3344 H2 TIP3 657 3.519 -34.642 13.844 0.00 0.00 WAT1 ATOM 3345 OH2 TIP3 658 0.494 -34.888 4.201 0.00 0.00 WAT1 ATOM 3346 H1 TIP3 658 0.222 -34.659 3.312 0.00 0.00 WAT1 ATOM 3347 H2 TIP3 658 0.539 -34.050 4.661 0.00 0.00 WAT1 ATOM 3348 OH2 TIP3 659 12.371 -31.485 7.539 0.00 0.00 WAT1 ATOM 3349 H1 TIP3 659 12.796 -32.192 7.054 0.00 0.00 WAT1 ATOM 3350 H2 TIP3 659 12.688 -30.684 7.122 0.00 0.00 WAT1 ATOM 3351 OH2 TIP3 660 6.107 -33.788 9.813 0.00 0.00 WAT1 ATOM 3352 H1 TIP3 660 6.012 -34.366 9.056 0.00 0.00 WAT1 ATOM 3353 H2 TIP3 660 6.836 -34.159 10.309 0.00 0.00 WAT1 ATOM 3354 OH2 TIP3 661 11.416 -32.944 11.499 0.00 0.00 WAT1 ATOM 3355 H1 TIP3 661 11.175 -32.282 12.147 0.00 0.00 WAT1 ATOM 3356 H2 TIP3 661 11.218 -33.778 11.924 0.00 0.00 WAT1 ATOM 3357 OH2 TIP3 662 5.987 -34.048 15.482 0.00 0.00 WAT1 ATOM 3358 H1 TIP3 662 5.675 -33.266 15.938 0.00 0.00 WAT1 ATOM 3359 H2 TIP3 662 5.337 -34.201 14.796 0.00 0.00 WAT1 ATOM 3360 OH2 TIP3 663 2.907 -37.850 14.711 0.00 0.00 WAT1 ATOM 3361 H1 TIP3 663 2.977 -37.199 15.409 0.00 0.00 WAT1 ATOM 3362 H2 TIP3 663 2.016 -37.747 14.376 0.00 0.00 WAT1 ATOM 3363 OH2 TIP3 664 9.692 -31.947 6.369 0.00 0.00 WAT1 ATOM 3364 H1 TIP3 664 10.166 -31.652 7.147 0.00 0.00 WAT1 ATOM 3365 H2 TIP3 664 9.129 -31.209 6.136 0.00 0.00 WAT1 ATOM 3366 OH2 TIP3 665 4.226 -31.976 16.246 0.00 0.00 WAT1 ATOM 3367 H1 TIP3 665 4.234 -32.112 15.298 0.00 0.00 WAT1 ATOM 3368 H2 TIP3 665 3.310 -32.094 16.498 0.00 0.00 WAT1 ATOM 3369 OH2 TIP3 666 -0.177 -35.783 13.536 0.00 0.00 WAT1 ATOM 3370 H1 TIP3 666 -0.678 -35.811 12.721 0.00 0.00 WAT1 ATOM 3371 H2 TIP3 666 -0.171 -36.689 13.846 0.00 0.00 WAT1 ATOM 3372 OH2 TIP3 667 -0.426 -33.003 10.420 0.00 0.00 WAT1 ATOM 3373 H1 TIP3 667 0.520 -33.147 10.401 0.00 0.00 WAT1 ATOM 3374 H2 TIP3 667 -0.539 -32.219 10.957 0.00 0.00 WAT1 ATOM 3375 OH2 TIP3 668 8.750 -32.763 14.978 0.00 0.00 WAT1 ATOM 3376 H1 TIP3 668 8.837 -31.937 15.453 0.00 0.00 WAT1 ATOM 3377 H2 TIP3 668 7.886 -33.093 15.227 0.00 0.00 WAT1 ATOM 3378 OH2 TIP3 669 12.266 -29.837 1.787 0.00 0.00 WAT1 ATOM 3379 H1 TIP3 669 12.641 -30.581 1.316 0.00 0.00 WAT1 ATOM 3380 H2 TIP3 669 12.270 -30.107 2.705 0.00 0.00 WAT1 ATOM 3381 OH2 TIP3 670 11.935 -29.911 4.536 0.00 0.00 WAT1 ATOM 3382 H1 TIP3 670 11.000 -29.811 4.715 0.00 0.00 WAT1 ATOM 3383 H2 TIP3 670 12.215 -30.620 5.114 0.00 0.00 WAT1 ATOM 3384 OH2 TIP3 671 2.072 -34.460 14.579 0.00 0.00 WAT1 ATOM 3385 H1 TIP3 671 2.289 -34.821 15.439 0.00 0.00 WAT1 ATOM 3386 H2 TIP3 671 1.217 -34.834 14.369 0.00 0.00 WAT1 ATOM 3387 OH2 TIP3 672 2.651 -35.995 16.817 0.00 0.00 WAT1 ATOM 3388 H1 TIP3 672 3.384 -35.741 17.378 0.00 0.00 WAT1 ATOM 3389 H2 TIP3 672 1.871 -35.791 17.332 0.00 0.00 WAT1 ATOM 3390 OH2 TIP3 673 2.976 -36.692 9.423 0.00 0.00 WAT1 ATOM 3391 H1 TIP3 673 3.721 -36.694 8.822 0.00 0.00 WAT1 ATOM 3392 H2 TIP3 673 3.054 -37.516 9.905 0.00 0.00 WAT1 ATOM 3393 OH2 TIP3 674 -0.016 -38.231 14.738 0.00 0.00 WAT1 ATOM 3394 H1 TIP3 674 0.207 -38.649 15.570 0.00 0.00 WAT1 ATOM 3395 H2 TIP3 674 -0.618 -38.844 14.316 0.00 0.00 WAT1 ATOM 3396 OH2 TIP3 675 11.621 -33.341 14.841 0.00 0.00 WAT1 ATOM 3397 H1 TIP3 675 10.720 -33.158 14.573 0.00 0.00 WAT1 ATOM 3398 H2 TIP3 675 11.655 -33.082 15.762 0.00 0.00 WAT1 ATOM 3399 OH2 TIP3 676 5.351 -33.174 6.828 0.00 0.00 WAT1 ATOM 3400 H1 TIP3 676 5.878 -32.401 6.627 0.00 0.00 WAT1 ATOM 3401 H2 TIP3 676 4.471 -32.949 6.526 0.00 0.00 WAT1 ATOM 3402 OH2 TIP3 677 7.293 -31.362 12.719 0.00 0.00 WAT1 ATOM 3403 H1 TIP3 677 7.656 -30.507 12.486 0.00 0.00 WAT1 ATOM 3404 H2 TIP3 677 7.825 -31.654 13.460 0.00 0.00 WAT1 ATOM 3405 OH2 TIP3 678 13.496 -30.711 14.889 0.00 0.00 WAT1 ATOM 3406 H1 TIP3 678 12.894 -31.266 14.394 0.00 0.00 WAT1 ATOM 3407 H2 TIP3 678 13.777 -30.044 14.263 0.00 0.00 WAT1 ATOM 3408 OH2 TIP3 679 6.068 -33.652 2.397 0.00 0.00 WAT1 ATOM 3409 H1 TIP3 679 6.215 -34.172 3.187 0.00 0.00 WAT1 ATOM 3410 H2 TIP3 679 6.065 -32.745 2.703 0.00 0.00 WAT1 ATOM 3411 OH2 TIP3 680 8.806 -31.954 3.146 0.00 0.00 WAT1 ATOM 3412 H1 TIP3 680 7.989 -31.457 3.199 0.00 0.00 WAT1 ATOM 3413 H2 TIP3 680 9.335 -31.479 2.506 0.00 0.00 WAT1 ATOM 3414 OH2 TIP3 681 6.144 -30.911 3.128 0.00 0.00 WAT1 ATOM 3415 H1 TIP3 681 6.305 -30.111 2.627 0.00 0.00 WAT1 ATOM 3416 H2 TIP3 681 5.947 -30.604 4.013 0.00 0.00 WAT1 ATOM 3417 OH2 TIP3 682 3.137 -33.785 1.804 0.00 0.00 WAT1 ATOM 3418 H1 TIP3 682 3.729 -33.086 2.080 0.00 0.00 WAT1 ATOM 3419 H2 TIP3 682 3.596 -34.218 1.085 0.00 0.00 WAT1 ATOM 3420 OH2 TIP3 683 14.766 -30.457 10.856 0.00 0.00 WAT1 ATOM 3421 H1 TIP3 683 14.610 -29.779 10.199 0.00 0.00 WAT1 ATOM 3422 H2 TIP3 683 15.698 -30.385 11.059 0.00 0.00 WAT1 ATOM 3423 OH2 TIP3 684 11.654 -32.487 17.433 0.00 0.00 WAT1 ATOM 3424 H1 TIP3 684 11.303 -33.343 17.676 0.00 0.00 WAT1 ATOM 3425 H2 TIP3 684 12.380 -32.344 18.040 0.00 0.00 WAT1 ATOM 3426 OH2 TIP3 685 0.387 -35.976 18.038 0.00 0.00 WAT1 ATOM 3427 H1 TIP3 685 0.531 -36.878 17.752 0.00 0.00 WAT1 ATOM 3428 H2 TIP3 685 -0.386 -35.690 17.550 0.00 0.00 WAT1 ATOM 3429 OH2 TIP3 686 7.042 -36.006 17.471 0.00 0.00 WAT1 ATOM 3430 H1 TIP3 686 6.714 -35.735 16.613 0.00 0.00 WAT1 ATOM 3431 H2 TIP3 686 7.194 -36.947 17.383 0.00 0.00 WAT1 ATOM 3432 OH2 TIP3 687 1.219 -38.776 17.458 0.00 0.00 WAT1 ATOM 3433 H1 TIP3 687 1.627 -39.633 17.337 0.00 0.00 WAT1 ATOM 3434 H2 TIP3 687 0.959 -38.761 18.379 0.00 0.00 WAT1 ATOM 3435 OH2 TIP3 688 6.846 -28.726 1.740 0.00 0.00 WAT1 ATOM 3436 H1 TIP3 688 7.779 -28.568 1.884 0.00 0.00 WAT1 ATOM 3437 H2 TIP3 688 6.582 -28.051 1.115 0.00 0.00 WAT1 ATOM 3438 OH2 TIP3 689 0.414 -34.090 1.223 0.00 0.00 WAT1 ATOM 3439 H1 TIP3 689 1.328 -34.011 1.496 0.00 0.00 WAT1 ATOM 3440 H2 TIP3 689 0.421 -34.777 0.556 0.00 0.00 WAT1 ATOM 3441 OH2 TIP3 690 0.013 -37.541 10.556 0.00 0.00 WAT1 ATOM 3442 H1 TIP3 690 0.197 -37.623 9.621 0.00 0.00 WAT1 ATOM 3443 H2 TIP3 690 0.862 -37.665 10.980 0.00 0.00 WAT1 ATOM 3444 OH2 TIP3 691 14.220 -29.717 6.657 0.00 0.00 WAT1 ATOM 3445 H1 TIP3 691 14.873 -30.064 6.049 0.00 0.00 WAT1 ATOM 3446 H2 TIP3 691 14.731 -29.228 7.303 0.00 0.00 WAT1 ATOM 3447 OH2 TIP3 692 4.559 -31.813 13.459 0.00 0.00 WAT1 ATOM 3448 H1 TIP3 692 4.134 -31.004 13.176 0.00 0.00 WAT1 ATOM 3449 H2 TIP3 692 5.464 -31.728 13.157 0.00 0.00 WAT1 ATOM 3450 OH2 TIP3 693 11.215 -29.129 15.662 0.00 0.00 WAT1 ATOM 3451 H1 TIP3 693 11.892 -29.761 15.422 0.00 0.00 WAT1 ATOM 3452 H2 TIP3 693 11.537 -28.727 16.470 0.00 0.00 WAT1 ATOM 3453 OH2 TIP3 694 9.139 -29.069 11.712 0.00 0.00 WAT1 ATOM 3454 H1 TIP3 694 8.682 -28.540 11.058 0.00 0.00 WAT1 ATOM 3455 H2 TIP3 694 9.302 -28.466 12.437 0.00 0.00 WAT1 ATOM 3456 OH2 TIP3 695 11.466 -30.191 12.657 0.00 0.00 WAT1 ATOM 3457 H1 TIP3 695 10.562 -30.026 12.391 0.00 0.00 WAT1 ATOM 3458 H2 TIP3 695 11.895 -29.338 12.591 0.00 0.00 WAT1 ATOM 3459 OH2 TIP3 696 14.071 -28.621 12.952 0.00 0.00 WAT1 ATOM 3460 H1 TIP3 696 13.889 -27.705 12.741 0.00 0.00 WAT1 ATOM 3461 H2 TIP3 696 14.247 -29.031 12.105 0.00 0.00 WAT1 ATOM 3462 OH2 TIP3 697 6.054 -30.754 9.920 0.00 0.00 WAT1 ATOM 3463 H1 TIP3 697 6.267 -31.642 9.633 0.00 0.00 WAT1 ATOM 3464 H2 TIP3 697 6.119 -30.788 10.875 0.00 0.00 WAT1 ATOM 3465 OH2 TIP3 698 9.491 -29.500 1.985 0.00 0.00 WAT1 ATOM 3466 H1 TIP3 698 10.357 -29.134 1.807 0.00 0.00 WAT1 ATOM 3467 H2 TIP3 698 9.244 -29.940 1.172 0.00 0.00 WAT1 ATOM 3468 OH2 TIP3 699 2.445 -29.790 0.613 0.00 0.00 WAT1 ATOM 3469 H1 TIP3 699 2.177 -29.503 1.486 0.00 0.00 WAT1 ATOM 3470 H2 TIP3 699 3.216 -30.336 0.765 0.00 0.00 WAT1 ATOM 3471 OH2 TIP3 700 3.193 -33.980 29.248 0.00 0.00 WAT1 ATOM 3472 H1 TIP3 700 2.823 -34.782 28.879 0.00 0.00 WAT1 ATOM 3473 H2 TIP3 700 4.134 -34.149 29.295 0.00 0.00 WAT1 ATOM 3474 OH2 TIP3 701 -0.197 -40.320 24.641 0.00 0.00 WAT1 ATOM 3475 H1 TIP3 701 -0.645 -39.474 24.623 0.00 0.00 WAT1 ATOM 3476 H2 TIP3 701 -0.758 -40.900 24.126 0.00 0.00 WAT1 ATOM 3477 OH2 TIP3 702 0.513 -38.158 26.767 0.00 0.00 WAT1 ATOM 3478 H1 TIP3 702 0.727 -38.928 27.294 0.00 0.00 WAT1 ATOM 3479 H2 TIP3 702 1.251 -38.069 26.164 0.00 0.00 WAT1 ATOM 3480 OH2 TIP3 703 10.765 -34.699 24.744 0.00 0.00 WAT1 ATOM 3481 H1 TIP3 703 10.469 -35.021 23.893 0.00 0.00 WAT1 ATOM 3482 H2 TIP3 703 10.441 -33.799 24.786 0.00 0.00 WAT1 ATOM 3483 OH2 TIP3 704 0.494 -34.888 23.057 0.00 0.00 WAT1 ATOM 3484 H1 TIP3 704 0.222 -34.659 22.168 0.00 0.00 WAT1 ATOM 3485 H2 TIP3 704 0.539 -34.050 23.517 0.00 0.00 WAT1 ATOM 3486 OH2 TIP3 705 12.371 -31.485 26.395 0.00 0.00 WAT1 ATOM 3487 H1 TIP3 705 12.796 -32.192 25.910 0.00 0.00 WAT1 ATOM 3488 H2 TIP3 705 12.688 -30.684 25.978 0.00 0.00 WAT1 ATOM 3489 OH2 TIP3 706 6.107 -33.788 28.669 0.00 0.00 WAT1 ATOM 3490 H1 TIP3 706 6.012 -34.366 27.912 0.00 0.00 WAT1 ATOM 3491 H2 TIP3 706 6.836 -34.159 29.165 0.00 0.00 WAT1 ATOM 3492 OH2 TIP3 707 11.416 -32.944 30.355 0.00 0.00 WAT1 ATOM 3493 H1 TIP3 707 11.175 -32.282 31.003 0.00 0.00 WAT1 ATOM 3494 H2 TIP3 707 11.218 -33.778 30.780 0.00 0.00 WAT1 ATOM 3495 OH2 TIP3 708 9.692 -31.947 25.225 0.00 0.00 WAT1 ATOM 3496 H1 TIP3 708 10.166 -31.652 26.003 0.00 0.00 WAT1 ATOM 3497 H2 TIP3 708 9.129 -31.209 24.992 0.00 0.00 WAT1 ATOM 3498 OH2 TIP3 709 -0.426 -33.003 29.276 0.00 0.00 WAT1 ATOM 3499 H1 TIP3 709 0.520 -33.147 29.257 0.00 0.00 WAT1 ATOM 3500 H2 TIP3 709 -0.539 -32.219 29.813 0.00 0.00 WAT1 ATOM 3501 OH2 TIP3 710 12.266 -29.837 20.643 0.00 0.00 WAT1 ATOM 3502 H1 TIP3 710 12.641 -30.581 20.172 0.00 0.00 WAT1 ATOM 3503 H2 TIP3 710 12.270 -30.107 21.561 0.00 0.00 WAT1 ATOM 3504 OH2 TIP3 711 11.935 -29.911 23.392 0.00 0.00 WAT1 ATOM 3505 H1 TIP3 711 11.000 -29.811 23.571 0.00 0.00 WAT1 ATOM 3506 H2 TIP3 711 12.215 -30.620 23.970 0.00 0.00 WAT1 ATOM 3507 OH2 TIP3 712 7.851 -35.987 22.510 0.00 0.00 WAT1 ATOM 3508 H1 TIP3 712 7.107 -36.494 22.187 0.00 0.00 WAT1 ATOM 3509 H2 TIP3 712 7.717 -35.938 23.456 0.00 0.00 WAT1 ATOM 3510 OH2 TIP3 713 9.977 -34.528 21.535 0.00 0.00 WAT1 ATOM 3511 H1 TIP3 713 9.682 -33.702 21.917 0.00 0.00 WAT1 ATOM 3512 H2 TIP3 713 9.274 -35.148 21.731 0.00 0.00 WAT1 ATOM 3513 OH2 TIP3 714 5.351 -33.174 25.684 0.00 0.00 WAT1 ATOM 3514 H1 TIP3 714 5.878 -32.401 25.483 0.00 0.00 WAT1 ATOM 3515 H2 TIP3 714 4.471 -32.949 25.382 0.00 0.00 WAT1 ATOM 3516 OH2 TIP3 715 1.106 -38.312 20.271 0.00 0.00 WAT1 ATOM 3517 H1 TIP3 715 1.722 -37.685 20.650 0.00 0.00 WAT1 ATOM 3518 H2 TIP3 715 0.244 -37.996 20.542 0.00 0.00 WAT1 ATOM 3519 OH2 TIP3 716 6.778 -35.511 25.260 0.00 0.00 WAT1 ATOM 3520 H1 TIP3 716 6.537 -34.586 25.302 0.00 0.00 WAT1 ATOM 3521 H2 TIP3 716 6.038 -35.970 25.656 0.00 0.00 WAT1 ATOM 3522 OH2 TIP3 717 7.293 -31.362 31.575 0.00 0.00 WAT1 ATOM 3523 H1 TIP3 717 7.656 -30.507 31.342 0.00 0.00 WAT1 ATOM 3524 H2 TIP3 717 7.825 -31.654 32.316 0.00 0.00 WAT1 ATOM 3525 OH2 TIP3 718 1.269 -31.673 31.587 0.00 0.00 WAT1 ATOM 3526 H1 TIP3 718 1.486 -32.605 31.556 0.00 0.00 WAT1 ATOM 3527 H2 TIP3 718 1.516 -31.399 32.471 0.00 0.00 WAT1 ATOM 3528 OH2 TIP3 719 7.131 -33.222 18.797 0.00 0.00 WAT1 ATOM 3529 H1 TIP3 719 7.370 -33.970 18.249 0.00 0.00 WAT1 ATOM 3530 H2 TIP3 719 6.862 -33.610 19.629 0.00 0.00 WAT1 ATOM 3531 OH2 TIP3 720 6.068 -33.652 21.253 0.00 0.00 WAT1 ATOM 3532 H1 TIP3 720 6.215 -34.172 22.043 0.00 0.00 WAT1 ATOM 3533 H2 TIP3 720 6.065 -32.745 21.559 0.00 0.00 WAT1 ATOM 3534 OH2 TIP3 721 2.521 -36.399 21.763 0.00 0.00 WAT1 ATOM 3535 H1 TIP3 721 1.835 -36.047 22.330 0.00 0.00 WAT1 ATOM 3536 H2 TIP3 721 3.044 -35.636 21.517 0.00 0.00 WAT1 ATOM 3537 OH2 TIP3 722 8.806 -31.954 22.002 0.00 0.00 WAT1 ATOM 3538 H1 TIP3 722 7.989 -31.457 22.055 0.00 0.00 WAT1 ATOM 3539 H2 TIP3 722 9.335 -31.479 21.362 0.00 0.00 WAT1 ATOM 3540 OH2 TIP3 723 3.137 -33.785 20.660 0.00 0.00 WAT1 ATOM 3541 H1 TIP3 723 3.729 -33.086 20.936 0.00 0.00 WAT1 ATOM 3542 H2 TIP3 723 3.596 -34.218 19.941 0.00 0.00 WAT1 ATOM 3543 OH2 TIP3 724 14.766 -30.457 29.712 0.00 0.00 WAT1 ATOM 3544 H1 TIP3 724 14.610 -29.779 29.055 0.00 0.00 WAT1 ATOM 3545 H2 TIP3 724 15.698 -30.385 29.915 0.00 0.00 WAT1 ATOM 3546 OH2 TIP3 725 1.191 -32.399 24.610 0.00 0.00 WAT1 ATOM 3547 H1 TIP3 725 0.359 -31.926 24.637 0.00 0.00 WAT1 ATOM 3548 H2 TIP3 725 1.737 -31.889 24.011 0.00 0.00 WAT1 ATOM 3549 OH2 TIP3 726 0.480 -29.786 35.940 0.00 0.00 WAT1 ATOM 3550 H1 TIP3 726 1.020 -30.003 36.699 0.00 0.00 WAT1 ATOM 3551 H2 TIP3 726 -0.001 -30.592 35.750 0.00 0.00 WAT1 ATOM 3552 OH2 TIP3 727 9.169 -31.359 18.935 0.00 0.00 WAT1 ATOM 3553 H1 TIP3 727 8.525 -31.990 19.257 0.00 0.00 WAT1 ATOM 3554 H2 TIP3 727 9.931 -31.890 18.703 0.00 0.00 WAT1 ATOM 3555 OH2 TIP3 728 13.773 -31.542 19.169 0.00 0.00 WAT1 ATOM 3556 H1 TIP3 728 14.056 -32.336 19.622 0.00 0.00 WAT1 ATOM 3557 H2 TIP3 728 14.513 -31.309 18.608 0.00 0.00 WAT1 ATOM 3558 OH2 TIP3 729 4.728 -35.632 19.026 0.00 0.00 WAT1 ATOM 3559 H1 TIP3 729 4.792 -36.426 19.557 0.00 0.00 WAT1 ATOM 3560 H2 TIP3 729 5.381 -35.751 18.337 0.00 0.00 WAT1 ATOM 3561 OH2 TIP3 730 10.080 -34.585 18.762 0.00 0.00 WAT1 ATOM 3562 H1 TIP3 730 9.812 -34.405 19.663 0.00 0.00 WAT1 ATOM 3563 H2 TIP3 730 9.874 -35.511 18.631 0.00 0.00 WAT1 ATOM 3564 OH2 TIP3 731 0.414 -34.090 20.079 0.00 0.00 WAT1 ATOM 3565 H1 TIP3 731 1.328 -34.011 20.352 0.00 0.00 WAT1 ATOM 3566 H2 TIP3 731 0.421 -34.777 19.412 0.00 0.00 WAT1 ATOM 3567 OH2 TIP3 732 17.482 -29.807 29.941 0.00 0.00 WAT1 ATOM 3568 H1 TIP3 732 17.460 -29.622 30.880 0.00 0.00 WAT1 ATOM 3569 H2 TIP3 732 18.172 -29.238 29.600 0.00 0.00 WAT1 ATOM 3570 OH2 TIP3 733 14.220 -29.717 25.513 0.00 0.00 WAT1 ATOM 3571 H1 TIP3 733 14.873 -30.064 24.905 0.00 0.00 WAT1 ATOM 3572 H2 TIP3 733 14.731 -29.228 26.159 0.00 0.00 WAT1 ATOM 3573 OH2 TIP3 734 4.559 -31.813 32.315 0.00 0.00 WAT1 ATOM 3574 H1 TIP3 734 4.134 -31.004 32.032 0.00 0.00 WAT1 ATOM 3575 H2 TIP3 734 5.464 -31.728 32.013 0.00 0.00 WAT1 ATOM 3576 OH2 TIP3 735 11.215 -29.129 34.518 0.00 0.00 WAT1 ATOM 3577 H1 TIP3 735 11.892 -29.761 34.278 0.00 0.00 WAT1 ATOM 3578 H2 TIP3 735 11.537 -28.727 35.326 0.00 0.00 WAT1 ATOM 3579 OH2 TIP3 736 4.428 -28.957 31.392 0.00 0.00 WAT1 ATOM 3580 H1 TIP3 736 3.563 -28.885 31.796 0.00 0.00 WAT1 ATOM 3581 H2 TIP3 736 4.373 -28.410 30.608 0.00 0.00 WAT1 ATOM 3582 OH2 TIP3 737 11.466 -30.191 31.513 0.00 0.00 WAT1 ATOM 3583 H1 TIP3 737 10.562 -30.026 31.247 0.00 0.00 WAT1 ATOM 3584 H2 TIP3 737 11.895 -29.338 31.447 0.00 0.00 WAT1 ATOM 3585 OH2 TIP3 738 14.071 -28.621 31.808 0.00 0.00 WAT1 ATOM 3586 H1 TIP3 738 13.889 -27.705 31.597 0.00 0.00 WAT1 ATOM 3587 H2 TIP3 738 14.247 -29.031 30.961 0.00 0.00 WAT1 ATOM 3588 OH2 TIP3 739 16.200 -29.937 23.521 0.00 0.00 WAT1 ATOM 3589 H1 TIP3 739 16.006 -30.685 22.956 0.00 0.00 WAT1 ATOM 3590 H2 TIP3 739 16.161 -29.179 22.937 0.00 0.00 WAT1 ATOM 3591 OH2 TIP3 740 2.269 -19.574 -6.999 0.00 0.00 WAT1 ATOM 3592 H1 TIP3 740 2.311 -20.200 -6.275 0.00 0.00 WAT1 ATOM 3593 H2 TIP3 740 2.972 -18.951 -6.817 0.00 0.00 WAT1 ATOM 3594 OH2 TIP3 741 3.193 -15.124 -8.464 0.00 0.00 WAT1 ATOM 3595 H1 TIP3 741 2.823 -15.926 -8.833 0.00 0.00 WAT1 ATOM 3596 H2 TIP3 741 4.134 -15.293 -8.417 0.00 0.00 WAT1 ATOM 3597 OH2 TIP3 742 5.965 -17.667 -6.224 0.00 0.00 WAT1 ATOM 3598 H1 TIP3 742 5.225 -17.069 -6.121 0.00 0.00 WAT1 ATOM 3599 H2 TIP3 742 6.679 -17.113 -6.540 0.00 0.00 WAT1 ATOM 3600 OH2 TIP3 743 4.373 -15.703 -5.437 0.00 0.00 WAT1 ATOM 3601 H1 TIP3 743 4.367 -14.824 -5.815 0.00 0.00 WAT1 ATOM 3602 H2 TIP3 743 3.519 -15.786 -5.012 0.00 0.00 WAT1 ATOM 3603 OH2 TIP3 744 5.987 -15.192 -3.374 0.00 0.00 WAT1 ATOM 3604 H1 TIP3 744 5.675 -14.410 -2.918 0.00 0.00 WAT1 ATOM 3605 H2 TIP3 744 5.337 -15.345 -4.060 0.00 0.00 WAT1 ATOM 3606 OH2 TIP3 745 4.226 -13.120 -2.610 0.00 0.00 WAT1 ATOM 3607 H1 TIP3 745 4.234 -13.256 -3.558 0.00 0.00 WAT1 ATOM 3608 H2 TIP3 745 3.310 -13.238 -2.358 0.00 0.00 WAT1 ATOM 3609 OH2 TIP3 746 -0.426 -14.147 -8.436 0.00 0.00 WAT1 ATOM 3610 H1 TIP3 746 0.520 -14.291 -8.455 0.00 0.00 WAT1 ATOM 3611 H2 TIP3 746 -0.539 -13.363 -7.899 0.00 0.00 WAT1 ATOM 3612 OH2 TIP3 747 8.750 -13.907 -3.878 0.00 0.00 WAT1 ATOM 3613 H1 TIP3 747 8.837 -13.081 -3.403 0.00 0.00 WAT1 ATOM 3614 H2 TIP3 747 7.886 -14.237 -3.629 0.00 0.00 WAT1 ATOM 3615 OH2 TIP3 748 2.072 -15.604 -4.277 0.00 0.00 WAT1 ATOM 3616 H1 TIP3 748 2.289 -15.965 -3.417 0.00 0.00 WAT1 ATOM 3617 H2 TIP3 748 1.217 -15.978 -4.487 0.00 0.00 WAT1 ATOM 3618 OH2 TIP3 749 9.417 -21.356 -1.969 0.00 0.00 WAT1 ATOM 3619 H1 TIP3 749 8.854 -22.060 -1.649 0.00 0.00 WAT1 ATOM 3620 H2 TIP3 749 10.243 -21.476 -1.502 0.00 0.00 WAT1 ATOM 3621 OH2 TIP3 750 2.532 -21.848 -5.319 0.00 0.00 WAT1 ATOM 3622 H1 TIP3 750 2.494 -21.448 -4.451 0.00 0.00 WAT1 ATOM 3623 H2 TIP3 750 2.041 -22.665 -5.229 0.00 0.00 WAT1 ATOM 3624 OH2 TIP3 751 9.371 -16.947 -3.965 0.00 0.00 WAT1 ATOM 3625 H1 TIP3 751 9.025 -17.328 -3.159 0.00 0.00 WAT1 ATOM 3626 H2 TIP3 751 9.171 -16.013 -3.894 0.00 0.00 WAT1 ATOM 3627 OH2 TIP3 752 7.001 -19.858 -1.905 0.00 0.00 WAT1 ATOM 3628 H1 TIP3 752 6.705 -20.024 -2.800 0.00 0.00 WAT1 ATOM 3629 H2 TIP3 752 7.932 -20.078 -1.915 0.00 0.00 WAT1 ATOM 3630 OH2 TIP3 753 1.618 -24.622 -4.560 0.00 0.00 WAT1 ATOM 3631 H1 TIP3 753 0.725 -24.283 -4.627 0.00 0.00 WAT1 ATOM 3632 H2 TIP3 753 1.519 -25.477 -4.142 0.00 0.00 WAT1 ATOM 3633 OH2 TIP3 754 5.077 -12.011 -0.152 0.00 0.00 WAT1 ATOM 3634 H1 TIP3 754 5.845 -12.470 0.189 0.00 0.00 WAT1 ATOM 3635 H2 TIP3 754 5.056 -12.237 -1.082 0.00 0.00 WAT1 ATOM 3636 OH2 TIP3 755 5.166 -20.911 -4.024 0.00 0.00 WAT1 ATOM 3637 H1 TIP3 755 4.548 -20.236 -3.743 0.00 0.00 WAT1 ATOM 3638 H2 TIP3 755 5.510 -20.590 -4.857 0.00 0.00 WAT1 ATOM 3639 OH2 TIP3 756 10.186 -18.440 -0.746 0.00 0.00 WAT1 ATOM 3640 H1 TIP3 756 11.139 -18.356 -0.774 0.00 0.00 WAT1 ATOM 3641 H2 TIP3 756 10.026 -19.151 -0.127 0.00 0.00 WAT1 ATOM 3642 OH2 TIP3 757 5.506 -23.556 -2.941 0.00 0.00 WAT1 ATOM 3643 H1 TIP3 757 5.656 -24.285 -3.544 0.00 0.00 WAT1 ATOM 3644 H2 TIP3 757 5.508 -22.779 -3.500 0.00 0.00 WAT1 ATOM 3645 OH2 TIP3 758 7.500 -19.747 -5.209 0.00 0.00 WAT1 ATOM 3646 H1 TIP3 758 8.251 -19.903 -5.782 0.00 0.00 WAT1 ATOM 3647 H2 TIP3 758 7.161 -18.895 -5.485 0.00 0.00 WAT1 ATOM 3648 OH2 TIP3 759 11.916 -21.932 -0.181 0.00 0.00 WAT1 ATOM 3649 H1 TIP3 759 12.108 -22.863 -0.292 0.00 0.00 WAT1 ATOM 3650 H2 TIP3 759 12.773 -21.507 -0.191 0.00 0.00 WAT1 ATOM 3651 OH2 TIP3 760 13.232 -19.143 -2.103 0.00 0.00 WAT1 ATOM 3652 H1 TIP3 760 12.951 -18.434 -2.681 0.00 0.00 WAT1 ATOM 3653 H2 TIP3 760 14.175 -19.216 -2.254 0.00 0.00 WAT1 ATOM 3654 OH2 TIP3 761 3.984 -22.358 -1.030 0.00 0.00 WAT1 ATOM 3655 H1 TIP3 761 3.217 -22.890 -1.240 0.00 0.00 WAT1 ATOM 3656 H2 TIP3 761 4.663 -22.668 -1.629 0.00 0.00 WAT1 ATOM 3657 OH2 TIP3 762 7.988 -23.408 -1.454 0.00 0.00 WAT1 ATOM 3658 H1 TIP3 762 7.752 -23.628 -0.552 0.00 0.00 WAT1 ATOM 3659 H2 TIP3 762 7.205 -23.615 -1.963 0.00 0.00 WAT1 ATOM 3660 OH2 TIP3 763 10.704 -24.281 -2.378 0.00 0.00 WAT1 ATOM 3661 H1 TIP3 763 9.756 -24.249 -2.246 0.00 0.00 WAT1 ATOM 3662 H2 TIP3 763 11.016 -24.906 -1.724 0.00 0.00 WAT1 ATOM 3663 OH2 TIP3 764 12.338 -25.647 -0.373 0.00 0.00 WAT1 ATOM 3664 H1 TIP3 764 12.241 -26.599 -0.379 0.00 0.00 WAT1 ATOM 3665 H2 TIP3 764 12.016 -25.378 0.488 0.00 0.00 WAT1 ATOM 3666 OH2 TIP3 765 2.165 -24.437 -1.325 0.00 0.00 WAT1 ATOM 3667 H1 TIP3 765 2.376 -25.144 -1.936 0.00 0.00 WAT1 ATOM 3668 H2 TIP3 765 2.053 -24.875 -0.481 0.00 0.00 WAT1 ATOM 3669 OH2 TIP3 766 7.299 -26.753 -0.292 0.00 0.00 WAT1 ATOM 3670 H1 TIP3 766 7.168 -27.229 -1.113 0.00 0.00 WAT1 ATOM 3671 H2 TIP3 766 6.700 -26.009 -0.348 0.00 0.00 WAT1 ATOM 3672 OH2 TIP3 767 -0.937 -9.841 -12.556 0.00 0.00 WAT1 ATOM 3673 H1 TIP3 767 -1.584 -10.303 -13.089 0.00 0.00 WAT1 ATOM 3674 H2 TIP3 767 -0.582 -10.513 -11.973 0.00 0.00 WAT1 ATOM 3675 OH2 TIP3 768 -0.067 -11.760 -10.751 0.00 0.00 WAT1 ATOM 3676 H1 TIP3 768 -0.401 -12.641 -10.579 0.00 0.00 WAT1 ATOM 3677 H2 TIP3 768 0.155 -11.415 -9.887 0.00 0.00 WAT1 ATOM 3678 OH2 TIP3 769 0.013 -18.685 -8.300 0.00 0.00 WAT1 ATOM 3679 H1 TIP3 769 0.197 -18.767 -9.235 0.00 0.00 WAT1 ATOM 3680 H2 TIP3 769 0.862 -18.809 -7.876 0.00 0.00 WAT1 ATOM 3681 OH2 TIP3 770 -0.389 -23.414 -2.159 0.00 0.00 WAT1 ATOM 3682 H1 TIP3 770 0.530 -23.536 -1.923 0.00 0.00 WAT1 ATOM 3683 H2 TIP3 770 -0.839 -24.164 -1.770 0.00 0.00 WAT1 ATOM 3684 OH2 TIP3 771 -0.864 -22.103 -8.199 0.00 0.00 WAT1 ATOM 3685 H1 TIP3 771 -0.372 -22.324 -8.989 0.00 0.00 WAT1 ATOM 3686 H2 TIP3 771 -0.502 -21.262 -7.918 0.00 0.00 WAT1 ATOM 3687 OH2 TIP3 772 4.559 -12.957 -5.397 0.00 0.00 WAT1 ATOM 3688 H1 TIP3 772 4.134 -12.148 -5.680 0.00 0.00 WAT1 ATOM 3689 H2 TIP3 772 5.464 -12.872 -5.699 0.00 0.00 WAT1 ATOM 3690 OH2 TIP3 773 8.870 -11.558 -2.438 0.00 0.00 WAT1 ATOM 3691 H1 TIP3 773 9.055 -11.892 -1.560 0.00 0.00 WAT1 ATOM 3692 H2 TIP3 773 9.717 -11.249 -2.760 0.00 0.00 WAT1 ATOM 3693 OH2 TIP3 774 4.428 -10.101 -6.320 0.00 0.00 WAT1 ATOM 3694 H1 TIP3 774 3.563 -10.029 -5.916 0.00 0.00 WAT1 ATOM 3695 H2 TIP3 774 4.373 -9.554 -7.104 0.00 0.00 WAT1 ATOM 3696 OH2 TIP3 775 1.376 -11.078 -8.439 0.00 0.00 WAT1 ATOM 3697 H1 TIP3 775 1.357 -11.503 -7.582 0.00 0.00 WAT1 ATOM 3698 H2 TIP3 775 2.181 -11.396 -8.848 0.00 0.00 WAT1 ATOM 3699 OH2 TIP3 776 3.517 -12.368 -9.784 0.00 0.00 WAT1 ATOM 3700 H1 TIP3 776 3.298 -13.284 -9.615 0.00 0.00 WAT1 ATOM 3701 H2 TIP3 776 4.341 -12.228 -9.318 0.00 0.00 WAT1 ATOM 3702 OH2 TIP3 777 1.847 -27.086 -2.452 0.00 0.00 WAT1 ATOM 3703 H1 TIP3 777 1.481 -27.851 -2.009 0.00 0.00 WAT1 ATOM 3704 H2 TIP3 777 2.760 -27.057 -2.165 0.00 0.00 WAT1 ATOM 3705 OH2 TIP3 778 3.820 -27.735 -0.916 0.00 0.00 WAT1 ATOM 3706 H1 TIP3 778 4.719 -28.009 -1.101 0.00 0.00 WAT1 ATOM 3707 H2 TIP3 778 3.434 -28.478 -0.452 0.00 0.00 WAT1 ATOM 3708 OH2 TIP3 779 10.968 -18.444 6.845 0.00 0.00 WAT1 ATOM 3709 H1 TIP3 779 11.057 -17.500 6.713 0.00 0.00 WAT1 ATOM 3710 H2 TIP3 779 10.329 -18.719 6.187 0.00 0.00 WAT1 ATOM 3711 OH2 TIP3 780 13.607 -16.250 8.566 0.00 0.00 WAT1 ATOM 3712 H1 TIP3 780 13.166 -16.970 9.016 0.00 0.00 WAT1 ATOM 3713 H2 TIP3 780 13.594 -15.529 9.196 0.00 0.00 WAT1 ATOM 3714 OH2 TIP3 781 10.718 -11.145 8.778 0.00 0.00 WAT1 ATOM 3715 H1 TIP3 781 11.338 -11.822 8.505 0.00 0.00 WAT1 ATOM 3716 H2 TIP3 781 10.510 -11.363 9.686 0.00 0.00 WAT1 ATOM 3717 OH2 TIP3 782 11.431 -22.362 10.998 0.00 0.00 WAT1 ATOM 3718 H1 TIP3 782 11.574 -23.309 11.018 0.00 0.00 WAT1 ATOM 3719 H2 TIP3 782 11.325 -22.155 10.069 0.00 0.00 WAT1 ATOM 3720 OH2 TIP3 783 10.765 -15.843 5.888 0.00 0.00 WAT1 ATOM 3721 H1 TIP3 783 10.469 -16.165 5.037 0.00 0.00 WAT1 ATOM 3722 H2 TIP3 783 10.441 -14.943 5.930 0.00 0.00 WAT1 ATOM 3723 OH2 TIP3 784 14.072 -24.839 8.652 0.00 0.00 WAT1 ATOM 3724 H1 TIP3 784 13.857 -25.605 9.184 0.00 0.00 WAT1 ATOM 3725 H2 TIP3 784 14.728 -24.367 9.165 0.00 0.00 WAT1 ATOM 3726 OH2 TIP3 785 14.119 -14.410 10.914 0.00 0.00 WAT1 ATOM 3727 H1 TIP3 785 13.177 -14.352 11.075 0.00 0.00 WAT1 ATOM 3728 H2 TIP3 785 14.395 -13.504 10.777 0.00 0.00 WAT1 ATOM 3729 OH2 TIP3 786 14.419 -26.124 12.331 0.00 0.00 WAT1 ATOM 3730 H1 TIP3 786 13.683 -25.513 12.293 0.00 0.00 WAT1 ATOM 3731 H2 TIP3 786 15.103 -25.709 11.805 0.00 0.00 WAT1 ATOM 3732 OH2 TIP3 787 12.371 -12.629 7.539 0.00 0.00 WAT1 ATOM 3733 H1 TIP3 787 12.796 -13.336 7.054 0.00 0.00 WAT1 ATOM 3734 H2 TIP3 787 12.688 -11.828 7.122 0.00 0.00 WAT1 ATOM 3735 OH2 TIP3 788 15.216 -16.162 14.525 0.00 0.00 WAT1 ATOM 3736 H1 TIP3 788 15.356 -16.753 13.786 0.00 0.00 WAT1 ATOM 3737 H2 TIP3 788 15.384 -15.289 14.169 0.00 0.00 WAT1 ATOM 3738 OH2 TIP3 789 13.095 -18.990 5.249 0.00 0.00 WAT1 ATOM 3739 H1 TIP3 789 12.363 -18.762 5.822 0.00 0.00 WAT1 ATOM 3740 H2 TIP3 789 13.542 -19.704 5.704 0.00 0.00 WAT1 ATOM 3741 OH2 TIP3 790 12.992 -20.816 14.317 0.00 0.00 WAT1 ATOM 3742 H1 TIP3 790 13.072 -20.053 14.889 0.00 0.00 WAT1 ATOM 3743 H2 TIP3 790 12.391 -20.537 13.626 0.00 0.00 WAT1 ATOM 3744 OH2 TIP3 791 11.416 -14.088 11.499 0.00 0.00 WAT1 ATOM 3745 H1 TIP3 791 11.175 -13.426 12.147 0.00 0.00 WAT1 ATOM 3746 H2 TIP3 791 11.218 -14.922 11.924 0.00 0.00 WAT1 ATOM 3747 OH2 TIP3 792 9.692 -13.091 6.369 0.00 0.00 WAT1 ATOM 3748 H1 TIP3 792 10.166 -12.796 7.147 0.00 0.00 WAT1 ATOM 3749 H2 TIP3 792 9.129 -12.353 6.136 0.00 0.00 WAT1 ATOM 3750 OH2 TIP3 793 9.164 -10.135 4.784 0.00 0.00 WAT1 ATOM 3751 H1 TIP3 793 9.089 -10.256 3.838 0.00 0.00 WAT1 ATOM 3752 H2 TIP3 793 9.197 -9.185 4.903 0.00 0.00 WAT1 ATOM 3753 OH2 TIP3 794 14.923 -21.988 16.582 0.00 0.00 WAT1 ATOM 3754 H1 TIP3 794 14.516 -21.507 15.862 0.00 0.00 WAT1 ATOM 3755 H2 TIP3 794 14.964 -22.893 16.275 0.00 0.00 WAT1 ATOM 3756 OH2 TIP3 795 12.680 -23.656 14.803 0.00 0.00 WAT1 ATOM 3757 H1 TIP3 795 12.166 -23.782 15.600 0.00 0.00 WAT1 ATOM 3758 H2 TIP3 795 12.525 -22.744 14.558 0.00 0.00 WAT1 ATOM 3759 OH2 TIP3 796 13.443 -18.795 0.564 0.00 0.00 WAT1 ATOM 3760 H1 TIP3 796 13.485 -19.018 -0.366 0.00 0.00 WAT1 ATOM 3761 H2 TIP3 796 14.292 -18.397 0.754 0.00 0.00 WAT1 ATOM 3762 OH2 TIP3 797 9.016 -24.919 1.234 0.00 0.00 WAT1 ATOM 3763 H1 TIP3 797 8.762 -24.900 2.157 0.00 0.00 WAT1 ATOM 3764 H2 TIP3 797 8.759 -25.791 0.933 0.00 0.00 WAT1 ATOM 3765 OH2 TIP3 798 5.898 -24.474 0.335 0.00 0.00 WAT1 ATOM 3766 H1 TIP3 798 5.467 -24.919 1.065 0.00 0.00 WAT1 ATOM 3767 H2 TIP3 798 5.180 -24.102 -0.177 0.00 0.00 WAT1 ATOM 3768 OH2 TIP3 799 15.053 -9.613 17.209 0.00 0.00 WAT1 ATOM 3769 H1 TIP3 799 15.253 -9.189 16.374 0.00 0.00 WAT1 ATOM 3770 H2 TIP3 799 15.709 -9.270 17.816 0.00 0.00 WAT1 ATOM 3771 OH2 TIP3 800 15.001 -17.998 12.440 0.00 0.00 WAT1 ATOM 3772 H1 TIP3 800 15.643 -17.541 11.897 0.00 0.00 WAT1 ATOM 3773 H2 TIP3 800 14.171 -17.885 11.978 0.00 0.00 WAT1 ATOM 3774 OH2 TIP3 801 11.749 -24.317 1.853 0.00 0.00 WAT1 ATOM 3775 H1 TIP3 801 10.811 -24.205 1.702 0.00 0.00 WAT1 ATOM 3776 H2 TIP3 801 12.046 -23.460 2.159 0.00 0.00 WAT1 ATOM 3777 OH2 TIP3 802 9.977 -15.672 2.679 0.00 0.00 WAT1 ATOM 3778 H1 TIP3 802 9.682 -14.846 3.061 0.00 0.00 WAT1 ATOM 3779 H2 TIP3 802 9.274 -16.292 2.875 0.00 0.00 WAT1 ATOM 3780 OH2 TIP3 803 11.621 -14.485 14.841 0.00 0.00 WAT1 ATOM 3781 H1 TIP3 803 10.720 -14.302 14.573 0.00 0.00 WAT1 ATOM 3782 H2 TIP3 803 11.655 -14.226 15.762 0.00 0.00 WAT1 ATOM 3783 OH2 TIP3 804 12.808 -18.646 10.695 0.00 0.00 WAT1 ATOM 3784 H1 TIP3 804 11.880 -18.878 10.668 0.00 0.00 WAT1 ATOM 3785 H2 TIP3 804 13.259 -19.423 10.365 0.00 0.00 WAT1 ATOM 3786 OH2 TIP3 805 5.462 -11.633 5.949 0.00 0.00 WAT1 ATOM 3787 H1 TIP3 805 4.512 -11.528 6.001 0.00 0.00 WAT1 ATOM 3788 H2 TIP3 805 5.813 -10.813 6.294 0.00 0.00 WAT1 ATOM 3789 OH2 TIP3 806 10.837 -16.407 12.420 0.00 0.00 WAT1 ATOM 3790 H1 TIP3 806 10.411 -16.634 13.246 0.00 0.00 WAT1 ATOM 3791 H2 TIP3 806 11.418 -17.145 12.237 0.00 0.00 WAT1 ATOM 3792 OH2 TIP3 807 13.040 -15.478 1.494 0.00 0.00 WAT1 ATOM 3793 H1 TIP3 807 13.393 -15.858 2.298 0.00 0.00 WAT1 ATOM 3794 H2 TIP3 807 12.091 -15.571 1.580 0.00 0.00 WAT1 ATOM 3795 OH2 TIP3 808 13.496 -11.855 14.889 0.00 0.00 WAT1 ATOM 3796 H1 TIP3 808 12.894 -12.410 14.394 0.00 0.00 WAT1 ATOM 3797 H2 TIP3 808 13.777 -11.188 14.263 0.00 0.00 WAT1 ATOM 3798 OH2 TIP3 809 13.906 -16.805 3.720 0.00 0.00 WAT1 ATOM 3799 H1 TIP3 809 13.629 -17.533 4.276 0.00 0.00 WAT1 ATOM 3800 H2 TIP3 809 14.833 -16.686 3.926 0.00 0.00 WAT1 ATOM 3801 OH2 TIP3 810 10.353 -24.881 13.186 0.00 0.00 WAT1 ATOM 3802 H1 TIP3 810 11.051 -24.807 13.836 0.00 0.00 WAT1 ATOM 3803 H2 TIP3 810 9.972 -25.745 13.341 0.00 0.00 WAT1 ATOM 3804 OH2 TIP3 811 8.806 -13.098 3.146 0.00 0.00 WAT1 ATOM 3805 H1 TIP3 811 7.989 -12.601 3.199 0.00 0.00 WAT1 ATOM 3806 H2 TIP3 811 9.335 -12.623 2.506 0.00 0.00 WAT1 ATOM 3807 OH2 TIP3 812 6.144 -12.055 3.128 0.00 0.00 WAT1 ATOM 3808 H1 TIP3 812 6.305 -11.255 2.627 0.00 0.00 WAT1 ATOM 3809 H2 TIP3 812 5.947 -11.748 4.013 0.00 0.00 WAT1 ATOM 3810 OH2 TIP3 813 13.679 -20.857 9.234 0.00 0.00 WAT1 ATOM 3811 H1 TIP3 813 12.882 -21.272 8.905 0.00 0.00 WAT1 ATOM 3812 H2 TIP3 813 14.124 -21.548 9.725 0.00 0.00 WAT1 ATOM 3813 OH2 TIP3 814 9.169 -12.503 0.079 0.00 0.00 WAT1 ATOM 3814 H1 TIP3 814 8.525 -13.134 0.401 0.00 0.00 WAT1 ATOM 3815 H2 TIP3 814 9.931 -13.034 -0.153 0.00 0.00 WAT1 ATOM 3816 OH2 TIP3 815 10.080 -15.729 -0.094 0.00 0.00 WAT1 ATOM 3817 H1 TIP3 815 9.812 -15.549 0.807 0.00 0.00 WAT1 ATOM 3818 H2 TIP3 815 9.874 -16.655 -0.225 0.00 0.00 WAT1 ATOM 3819 OH2 TIP3 816 12.777 -17.234 14.854 0.00 0.00 WAT1 ATOM 3820 H1 TIP3 816 13.522 -16.646 14.734 0.00 0.00 WAT1 ATOM 3821 H2 TIP3 816 12.020 -16.652 14.917 0.00 0.00 WAT1 ATOM 3822 OH2 TIP3 817 11.916 -21.932 18.675 0.00 0.00 WAT1 ATOM 3823 H1 TIP3 817 12.108 -22.863 18.564 0.00 0.00 WAT1 ATOM 3824 H2 TIP3 817 12.773 -21.507 18.665 0.00 0.00 WAT1 ATOM 3825 OH2 TIP3 818 13.232 -19.143 16.753 0.00 0.00 WAT1 ATOM 3826 H1 TIP3 818 12.951 -18.434 16.175 0.00 0.00 WAT1 ATOM 3827 H2 TIP3 818 14.175 -19.216 16.602 0.00 0.00 WAT1 ATOM 3828 OH2 TIP3 819 10.704 -24.281 16.478 0.00 0.00 WAT1 ATOM 3829 H1 TIP3 819 9.756 -24.249 16.610 0.00 0.00 WAT1 ATOM 3830 H2 TIP3 819 11.016 -24.906 17.132 0.00 0.00 WAT1 ATOM 3831 OH2 TIP3 820 12.338 -25.647 18.483 0.00 0.00 WAT1 ATOM 3832 H1 TIP3 820 12.241 -26.599 18.477 0.00 0.00 WAT1 ATOM 3833 H2 TIP3 820 12.016 -25.378 19.344 0.00 0.00 WAT1 ATOM 3834 OH2 TIP3 821 6.846 -9.870 1.740 0.00 0.00 WAT1 ATOM 3835 H1 TIP3 821 7.779 -9.712 1.884 0.00 0.00 WAT1 ATOM 3836 H2 TIP3 821 6.582 -9.195 1.115 0.00 0.00 WAT1 ATOM 3837 OH2 TIP3 822 -0.937 -9.841 6.300 0.00 0.00 WAT1 ATOM 3838 H1 TIP3 822 -1.584 -10.303 5.767 0.00 0.00 WAT1 ATOM 3839 H2 TIP3 822 -0.582 -10.513 6.883 0.00 0.00 WAT1 ATOM 3840 OH2 TIP3 823 15.496 -15.594 18.645 0.00 0.00 WAT1 ATOM 3841 H1 TIP3 823 14.630 -15.699 19.039 0.00 0.00 WAT1 ATOM 3842 H2 TIP3 823 15.872 -14.835 19.092 0.00 0.00 WAT1 ATOM 3843 OH2 TIP3 824 15.437 -13.621 13.238 0.00 0.00 WAT1 ATOM 3844 H1 TIP3 824 14.789 -13.296 13.863 0.00 0.00 WAT1 ATOM 3845 H2 TIP3 824 14.919 -14.061 12.563 0.00 0.00 WAT1 ATOM 3846 OH2 TIP3 825 15.808 -22.143 0.925 0.00 0.00 WAT1 ATOM 3847 H1 TIP3 825 15.905 -21.476 0.245 0.00 0.00 WAT1 ATOM 3848 H2 TIP3 825 15.668 -22.959 0.443 0.00 0.00 WAT1 ATOM 3849 OH2 TIP3 826 14.978 -20.763 6.546 0.00 0.00 WAT1 ATOM 3850 H1 TIP3 826 14.828 -21.708 6.526 0.00 0.00 WAT1 ATOM 3851 H2 TIP3 826 14.624 -20.482 7.390 0.00 0.00 WAT1 ATOM 3852 OH2 TIP3 827 15.834 -18.793 16.185 0.00 0.00 WAT1 ATOM 3853 H1 TIP3 827 16.417 -19.527 16.376 0.00 0.00 WAT1 ATOM 3854 H2 TIP3 827 16.398 -18.021 16.231 0.00 0.00 WAT1 ATOM 3855 OH2 TIP3 828 15.056 -24.735 0.042 0.00 0.00 WAT1 ATOM 3856 H1 TIP3 828 15.666 -25.107 0.679 0.00 0.00 WAT1 ATOM 3857 H2 TIP3 828 14.219 -25.157 0.238 0.00 0.00 WAT1 ATOM 3858 OH2 TIP3 829 14.688 -23.180 5.008 0.00 0.00 WAT1 ATOM 3859 H1 TIP3 829 14.968 -24.087 5.133 0.00 0.00 WAT1 ATOM 3860 H2 TIP3 829 15.447 -22.746 4.619 0.00 0.00 WAT1 ATOM 3861 OH2 TIP3 830 15.300 -22.599 10.444 0.00 0.00 WAT1 ATOM 3862 H1 TIP3 830 16.233 -22.387 10.410 0.00 0.00 WAT1 ATOM 3863 H2 TIP3 830 15.065 -22.497 11.367 0.00 0.00 WAT1 ATOM 3864 OH2 TIP3 831 15.329 -21.862 13.220 0.00 0.00 WAT1 ATOM 3865 H1 TIP3 831 14.486 -21.594 13.586 0.00 0.00 WAT1 ATOM 3866 H2 TIP3 831 15.772 -21.040 13.009 0.00 0.00 WAT1 ATOM 3867 OH2 TIP3 832 15.302 -25.917 5.057 0.00 0.00 WAT1 ATOM 3868 H1 TIP3 832 15.484 -26.366 5.882 0.00 0.00 WAT1 ATOM 3869 H2 TIP3 832 14.702 -26.502 4.593 0.00 0.00 WAT1 ATOM 3870 OH2 TIP3 833 11.215 -10.273 15.662 0.00 0.00 WAT1 ATOM 3871 H1 TIP3 833 11.892 -10.905 15.422 0.00 0.00 WAT1 ATOM 3872 H2 TIP3 833 11.537 -9.871 16.470 0.00 0.00 WAT1 ATOM 3873 OH2 TIP3 834 9.139 -10.213 11.712 0.00 0.00 WAT1 ATOM 3874 H1 TIP3 834 8.682 -9.684 11.058 0.00 0.00 WAT1 ATOM 3875 H2 TIP3 834 9.302 -9.610 12.437 0.00 0.00 WAT1 ATOM 3876 OH2 TIP3 835 11.466 -11.335 12.657 0.00 0.00 WAT1 ATOM 3877 H1 TIP3 835 10.562 -11.170 12.391 0.00 0.00 WAT1 ATOM 3878 H2 TIP3 835 11.895 -10.482 12.591 0.00 0.00 WAT1 ATOM 3879 OH2 TIP3 836 14.071 -9.765 12.952 0.00 0.00 WAT1 ATOM 3880 H1 TIP3 836 13.889 -8.849 12.741 0.00 0.00 WAT1 ATOM 3881 H2 TIP3 836 14.247 -10.175 12.105 0.00 0.00 WAT1 ATOM 3882 OH2 TIP3 837 14.705 -28.127 9.177 0.00 0.00 WAT1 ATOM 3883 H1 TIP3 837 15.309 -27.579 8.676 0.00 0.00 WAT1 ATOM 3884 H2 TIP3 837 13.836 -27.807 8.937 0.00 0.00 WAT1 ATOM 3885 OH2 TIP3 838 16.432 -26.988 7.511 0.00 0.00 WAT1 ATOM 3886 H1 TIP3 838 17.044 -27.502 6.984 0.00 0.00 WAT1 ATOM 3887 H2 TIP3 838 16.815 -26.110 7.534 0.00 0.00 WAT1 ATOM 3888 OH2 TIP3 839 0.726 -27.802 2.690 0.00 0.00 WAT1 ATOM 3889 H1 TIP3 839 1.165 -27.191 2.099 0.00 0.00 WAT1 ATOM 3890 H2 TIP3 839 0.092 -27.264 3.164 0.00 0.00 WAT1 ATOM 3891 OH2 TIP3 840 13.379 -27.617 4.042 0.00 0.00 WAT1 ATOM 3892 H1 TIP3 840 12.676 -27.003 3.832 0.00 0.00 WAT1 ATOM 3893 H2 TIP3 840 12.934 -28.455 4.173 0.00 0.00 WAT1 ATOM 3894 OH2 TIP3 841 2.445 -10.934 0.613 0.00 0.00 WAT1 ATOM 3895 H1 TIP3 841 2.177 -10.647 1.486 0.00 0.00 WAT1 ATOM 3896 H2 TIP3 841 3.216 -11.480 0.765 0.00 0.00 WAT1 ATOM 3897 OH2 TIP3 842 12.242 -28.403 18.122 0.00 0.00 WAT1 ATOM 3898 H1 TIP3 842 12.318 -28.829 18.976 0.00 0.00 WAT1 ATOM 3899 H2 TIP3 842 13.135 -28.389 17.780 0.00 0.00 WAT1 ATOM 3900 OH2 TIP3 843 15.418 -12.330 16.815 0.00 0.00 WAT1 ATOM 3901 H1 TIP3 843 14.636 -12.516 16.295 0.00 0.00 WAT1 ATOM 3902 H2 TIP3 843 15.346 -11.401 17.032 0.00 0.00 WAT1 ATOM 3903 OH2 TIP3 844 10.968 -18.444 25.701 0.00 0.00 WAT1 ATOM 3904 H1 TIP3 844 11.057 -17.500 25.569 0.00 0.00 WAT1 ATOM 3905 H2 TIP3 844 10.329 -18.719 25.043 0.00 0.00 WAT1 ATOM 3906 OH2 TIP3 845 9.901 -19.189 29.120 0.00 0.00 WAT1 ATOM 3907 H1 TIP3 845 9.863 -19.835 29.825 0.00 0.00 WAT1 ATOM 3908 H2 TIP3 845 9.578 -19.655 28.349 0.00 0.00 WAT1 ATOM 3909 OH2 TIP3 846 3.193 -15.124 29.248 0.00 0.00 WAT1 ATOM 3910 H1 TIP3 846 2.823 -15.926 28.879 0.00 0.00 WAT1 ATOM 3911 H2 TIP3 846 4.134 -15.293 29.295 0.00 0.00 WAT1 ATOM 3912 OH2 TIP3 847 10.718 -11.145 27.634 0.00 0.00 WAT1 ATOM 3913 H1 TIP3 847 11.338 -11.822 27.361 0.00 0.00 WAT1 ATOM 3914 H2 TIP3 847 10.510 -11.363 28.542 0.00 0.00 WAT1 ATOM 3915 OH2 TIP3 848 8.290 -16.756 29.526 0.00 0.00 WAT1 ATOM 3916 H1 TIP3 848 8.594 -17.442 28.932 0.00 0.00 WAT1 ATOM 3917 H2 TIP3 848 9.012 -16.638 30.144 0.00 0.00 WAT1 ATOM 3918 OH2 TIP3 849 16.953 -25.155 30.387 0.00 0.00 WAT1 ATOM 3919 H1 TIP3 849 17.002 -24.545 31.123 0.00 0.00 WAT1 ATOM 3920 H2 TIP3 849 17.379 -24.694 29.664 0.00 0.00 WAT1 ATOM 3921 OH2 TIP3 850 17.345 -23.677 32.623 0.00 0.00 WAT1 ATOM 3922 H1 TIP3 850 16.656 -23.019 32.528 0.00 0.00 WAT1 ATOM 3923 H2 TIP3 850 17.360 -23.874 33.560 0.00 0.00 WAT1 ATOM 3924 OH2 TIP3 851 10.765 -15.843 24.744 0.00 0.00 WAT1 ATOM 3925 H1 TIP3 851 10.469 -16.165 23.893 0.00 0.00 WAT1 ATOM 3926 H2 TIP3 851 10.441 -14.943 24.786 0.00 0.00 WAT1 ATOM 3927 OH2 TIP3 852 5.965 -17.667 31.488 0.00 0.00 WAT1 ATOM 3928 H1 TIP3 852 5.225 -17.069 31.591 0.00 0.00 WAT1 ATOM 3929 H2 TIP3 852 6.679 -17.113 31.172 0.00 0.00 WAT1 ATOM 3930 OH2 TIP3 853 4.373 -15.703 32.275 0.00 0.00 WAT1 ATOM 3931 H1 TIP3 853 4.367 -14.824 31.897 0.00 0.00 WAT1 ATOM 3932 H2 TIP3 853 3.519 -15.786 32.700 0.00 0.00 WAT1 ATOM 3933 OH2 TIP3 854 14.419 -26.124 31.187 0.00 0.00 WAT1 ATOM 3934 H1 TIP3 854 13.683 -25.513 31.149 0.00 0.00 WAT1 ATOM 3935 H2 TIP3 854 15.103 -25.709 30.661 0.00 0.00 WAT1 ATOM 3936 OH2 TIP3 855 12.371 -12.629 26.395 0.00 0.00 WAT1 ATOM 3937 H1 TIP3 855 12.796 -13.336 25.910 0.00 0.00 WAT1 ATOM 3938 H2 TIP3 855 12.688 -11.828 25.978 0.00 0.00 WAT1 ATOM 3939 OH2 TIP3 856 13.530 -14.728 24.904 0.00 0.00 WAT1 ATOM 3940 H1 TIP3 856 13.273 -15.418 24.292 0.00 0.00 WAT1 ATOM 3941 H2 TIP3 856 13.601 -15.171 25.749 0.00 0.00 WAT1 ATOM 3942 OH2 TIP3 857 9.689 -19.200 23.153 0.00 0.00 WAT1 ATOM 3943 H1 TIP3 857 8.977 -18.665 22.802 0.00 0.00 WAT1 ATOM 3944 H2 TIP3 857 10.380 -19.144 22.493 0.00 0.00 WAT1 ATOM 3945 OH2 TIP3 858 9.743 -20.742 20.192 0.00 0.00 WAT1 ATOM 3946 H1 TIP3 858 10.444 -20.720 20.843 0.00 0.00 WAT1 ATOM 3947 H2 TIP3 858 10.045 -21.370 19.536 0.00 0.00 WAT1 ATOM 3948 OH2 TIP3 859 13.095 -18.990 24.105 0.00 0.00 WAT1 ATOM 3949 H1 TIP3 859 12.363 -18.762 24.678 0.00 0.00 WAT1 ATOM 3950 H2 TIP3 859 13.542 -19.704 24.560 0.00 0.00 WAT1 ATOM 3951 OH2 TIP3 860 12.992 -20.816 33.173 0.00 0.00 WAT1 ATOM 3952 H1 TIP3 860 13.072 -20.053 33.745 0.00 0.00 WAT1 ATOM 3953 H2 TIP3 860 12.391 -20.537 32.482 0.00 0.00 WAT1 ATOM 3954 OH2 TIP3 861 6.107 -14.932 28.669 0.00 0.00 WAT1 ATOM 3955 H1 TIP3 861 6.012 -15.510 27.912 0.00 0.00 WAT1 ATOM 3956 H2 TIP3 861 6.836 -15.303 29.165 0.00 0.00 WAT1 ATOM 3957 OH2 TIP3 862 11.966 -19.828 21.790 0.00 0.00 WAT1 ATOM 3958 H1 TIP3 862 12.545 -19.678 22.537 0.00 0.00 WAT1 ATOM 3959 H2 TIP3 862 12.380 -19.357 21.067 0.00 0.00 WAT1 ATOM 3960 OH2 TIP3 863 9.692 -13.091 25.225 0.00 0.00 WAT1 ATOM 3961 H1 TIP3 863 10.166 -12.796 26.003 0.00 0.00 WAT1 ATOM 3962 H2 TIP3 863 9.129 -12.353 24.992 0.00 0.00 WAT1 ATOM 3963 OH2 TIP3 864 15.664 -28.078 21.603 0.00 0.00 WAT1 ATOM 3964 H1 TIP3 864 14.765 -27.939 21.898 0.00 0.00 WAT1 ATOM 3965 H2 TIP3 864 15.916 -27.247 21.201 0.00 0.00 WAT1 ATOM 3966 OH2 TIP3 865 16.854 -13.712 19.980 0.00 0.00 WAT1 ATOM 3967 H1 TIP3 865 16.927 -12.773 20.150 0.00 0.00 WAT1 ATOM 3968 H2 TIP3 865 17.759 -14.017 19.923 0.00 0.00 WAT1 ATOM 3969 OH2 TIP3 866 -0.426 -14.147 29.276 0.00 0.00 WAT1 ATOM 3970 H1 TIP3 866 0.520 -14.291 29.257 0.00 0.00 WAT1 ATOM 3971 H2 TIP3 866 -0.539 -13.363 29.813 0.00 0.00 WAT1 ATOM 3972 OH2 TIP3 867 9.164 -10.135 23.640 0.00 0.00 WAT1 ATOM 3973 H1 TIP3 867 9.089 -10.256 22.694 0.00 0.00 WAT1 ATOM 3974 H2 TIP3 867 9.197 -9.185 23.759 0.00 0.00 WAT1 ATOM 3975 OH2 TIP3 868 11.935 -11.055 23.392 0.00 0.00 WAT1 ATOM 3976 H1 TIP3 868 11.000 -10.955 23.571 0.00 0.00 WAT1 ATOM 3977 H2 TIP3 868 12.215 -11.764 23.970 0.00 0.00 WAT1 ATOM 3978 OH2 TIP3 869 2.072 -15.604 33.435 0.00 0.00 WAT1 ATOM 3979 H1 TIP3 869 2.289 -15.965 34.295 0.00 0.00 WAT1 ATOM 3980 H2 TIP3 869 1.217 -15.978 33.225 0.00 0.00 WAT1 ATOM 3981 OH2 TIP3 870 9.354 -27.412 32.805 0.00 0.00 WAT1 ATOM 3982 H1 TIP3 870 9.774 -27.827 33.558 0.00 0.00 WAT1 ATOM 3983 H2 TIP3 870 8.421 -27.590 32.922 0.00 0.00 WAT1 ATOM 3984 OH2 TIP3 871 12.680 -23.656 33.659 0.00 0.00 WAT1 ATOM 3985 H1 TIP3 871 12.166 -23.782 34.456 0.00 0.00 WAT1 ATOM 3986 H2 TIP3 871 12.525 -22.744 33.414 0.00 0.00 WAT1 ATOM 3987 OH2 TIP3 872 13.443 -18.795 19.420 0.00 0.00 WAT1 ATOM 3988 H1 TIP3 872 13.485 -19.018 18.490 0.00 0.00 WAT1 ATOM 3989 H2 TIP3 872 14.292 -18.397 19.610 0.00 0.00 WAT1 ATOM 3990 OH2 TIP3 873 10.315 -21.531 24.255 0.00 0.00 WAT1 ATOM 3991 H1 TIP3 873 9.906 -20.716 23.963 0.00 0.00 WAT1 ATOM 3992 H2 TIP3 873 11.035 -21.671 23.640 0.00 0.00 WAT1 ATOM 3993 OH2 TIP3 874 10.583 -20.447 31.740 0.00 0.00 WAT1 ATOM 3994 H1 TIP3 874 10.907 -21.078 31.097 0.00 0.00 WAT1 ATOM 3995 H2 TIP3 874 10.143 -20.982 32.401 0.00 0.00 WAT1 ATOM 3996 OH2 TIP3 875 2.651 -17.139 35.673 0.00 0.00 WAT1 ATOM 3997 H1 TIP3 875 3.384 -16.885 36.234 0.00 0.00 WAT1 ATOM 3998 H2 TIP3 875 1.871 -16.935 36.188 0.00 0.00 WAT1 ATOM 3999 OH2 TIP3 876 11.749 -24.317 20.709 0.00 0.00 WAT1 ATOM 4000 H1 TIP3 876 10.811 -24.205 20.558 0.00 0.00 WAT1 ATOM 4001 H2 TIP3 876 12.046 -23.460 21.015 0.00 0.00 WAT1 ATOM 4002 OH2 TIP3 877 12.467 -22.450 22.370 0.00 0.00 WAT1 ATOM 4003 H1 TIP3 877 13.359 -22.587 22.689 0.00 0.00 WAT1 ATOM 4004 H2 TIP3 877 12.524 -21.659 21.833 0.00 0.00 WAT1 ATOM 4005 OH2 TIP3 878 7.001 -19.858 35.807 0.00 0.00 WAT1 ATOM 4006 H1 TIP3 878 6.705 -20.024 34.912 0.00 0.00 WAT1 ATOM 4007 H2 TIP3 878 7.932 -20.078 35.797 0.00 0.00 WAT1 ATOM 4008 OH2 TIP3 879 15.648 -13.454 22.529 0.00 0.00 WAT1 ATOM 4009 H1 TIP3 879 15.275 -14.280 22.839 0.00 0.00 WAT1 ATOM 4010 H2 TIP3 879 15.925 -13.637 21.632 0.00 0.00 WAT1 ATOM 4011 OH2 TIP3 880 12.808 -18.646 29.551 0.00 0.00 WAT1 ATOM 4012 H1 TIP3 880 11.880 -18.878 29.524 0.00 0.00 WAT1 ATOM 4013 H2 TIP3 880 13.259 -19.423 29.221 0.00 0.00 WAT1 ATOM 4014 OH2 TIP3 881 17.544 -10.998 20.551 0.00 0.00 WAT1 ATOM 4015 H1 TIP3 881 18.287 -10.412 20.411 0.00 0.00 WAT1 ATOM 4016 H2 TIP3 881 16.849 -10.430 20.884 0.00 0.00 WAT1 ATOM 4017 OH2 TIP3 882 13.906 -16.805 22.576 0.00 0.00 WAT1 ATOM 4018 H1 TIP3 882 13.629 -17.533 23.132 0.00 0.00 WAT1 ATOM 4019 H2 TIP3 882 14.833 -16.686 22.782 0.00 0.00 WAT1 ATOM 4020 OH2 TIP3 883 1.269 -12.817 31.587 0.00 0.00 WAT1 ATOM 4021 H1 TIP3 883 1.486 -13.749 31.556 0.00 0.00 WAT1 ATOM 4022 H2 TIP3 883 1.516 -12.543 32.471 0.00 0.00 WAT1 ATOM 4023 OH2 TIP3 884 10.353 -24.881 32.042 0.00 0.00 WAT1 ATOM 4024 H1 TIP3 884 11.051 -24.807 32.692 0.00 0.00 WAT1 ATOM 4025 H2 TIP3 884 9.972 -25.745 32.197 0.00 0.00 WAT1 ATOM 4026 OH2 TIP3 885 11.137 -25.229 23.139 0.00 0.00 WAT1 ATOM 4027 H1 TIP3 885 11.357 -24.757 22.336 0.00 0.00 WAT1 ATOM 4028 H2 TIP3 885 11.695 -24.834 23.810 0.00 0.00 WAT1 ATOM 4029 OH2 TIP3 886 8.873 -22.515 33.159 0.00 0.00 WAT1 ATOM 4030 H1 TIP3 886 8.992 -21.941 33.916 0.00 0.00 WAT1 ATOM 4031 H2 TIP3 886 9.528 -23.203 33.274 0.00 0.00 WAT1 ATOM 4032 OH2 TIP3 887 15.077 -24.608 33.994 0.00 0.00 WAT1 ATOM 4033 H1 TIP3 887 14.161 -24.345 33.906 0.00 0.00 WAT1 ATOM 4034 H2 TIP3 887 15.413 -24.611 33.097 0.00 0.00 WAT1 ATOM 4035 OH2 TIP3 888 13.679 -20.857 28.090 0.00 0.00 WAT1 ATOM 4036 H1 TIP3 888 12.882 -21.272 27.761 0.00 0.00 WAT1 ATOM 4037 H2 TIP3 888 14.124 -21.548 28.581 0.00 0.00 WAT1 ATOM 4038 OH2 TIP3 889 0.387 -17.120 36.894 0.00 0.00 WAT1 ATOM 4039 H1 TIP3 889 0.531 -18.022 36.608 0.00 0.00 WAT1 ATOM 4040 H2 TIP3 889 -0.386 -16.834 36.406 0.00 0.00 WAT1 ATOM 4041 OH2 TIP3 890 1.219 -19.920 36.314 0.00 0.00 WAT1 ATOM 4042 H1 TIP3 890 1.627 -20.777 36.193 0.00 0.00 WAT1 ATOM 4043 H2 TIP3 890 0.959 -19.905 37.235 0.00 0.00 WAT1 ATOM 4044 OH2 TIP3 891 5.166 -20.911 33.688 0.00 0.00 WAT1 ATOM 4045 H1 TIP3 891 4.548 -20.236 33.969 0.00 0.00 WAT1 ATOM 4046 H2 TIP3 891 5.510 -20.590 32.855 0.00 0.00 WAT1 ATOM 4047 OH2 TIP3 892 16.338 -18.206 19.040 0.00 0.00 WAT1 ATOM 4048 H1 TIP3 892 16.065 -18.631 18.227 0.00 0.00 WAT1 ATOM 4049 H2 TIP3 892 16.378 -17.275 18.823 0.00 0.00 WAT1 ATOM 4050 OH2 TIP3 893 5.506 -23.556 34.771 0.00 0.00 WAT1 ATOM 4051 H1 TIP3 893 5.656 -24.285 34.168 0.00 0.00 WAT1 ATOM 4052 H2 TIP3 893 5.508 -22.779 34.212 0.00 0.00 WAT1 ATOM 4053 OH2 TIP3 894 5.918 -25.186 32.263 0.00 0.00 WAT1 ATOM 4054 H1 TIP3 894 6.454 -24.735 31.611 0.00 0.00 WAT1 ATOM 4055 H2 TIP3 894 5.066 -25.294 31.841 0.00 0.00 WAT1 ATOM 4056 OH2 TIP3 895 7.500 -19.747 32.503 0.00 0.00 WAT1 ATOM 4057 H1 TIP3 895 8.251 -19.903 31.930 0.00 0.00 WAT1 ATOM 4058 H2 TIP3 895 7.161 -18.895 32.227 0.00 0.00 WAT1 ATOM 4059 OH2 TIP3 896 3.984 -22.358 36.682 0.00 0.00 WAT1 ATOM 4060 H1 TIP3 896 3.217 -22.890 36.472 0.00 0.00 WAT1 ATOM 4061 H2 TIP3 896 4.663 -22.668 36.083 0.00 0.00 WAT1 ATOM 4062 OH2 TIP3 897 6.724 -27.730 32.695 0.00 0.00 WAT1 ATOM 4063 H1 TIP3 897 6.626 -26.783 32.589 0.00 0.00 WAT1 ATOM 4064 H2 TIP3 897 5.981 -28.102 32.219 0.00 0.00 WAT1 ATOM 4065 OH2 TIP3 898 10.704 -24.281 35.334 0.00 0.00 WAT1 ATOM 4066 H1 TIP3 898 9.756 -24.249 35.466 0.00 0.00 WAT1 ATOM 4067 H2 TIP3 898 11.016 -24.906 35.988 0.00 0.00 WAT1 ATOM 4068 OH2 TIP3 899 2.165 -24.437 36.387 0.00 0.00 WAT1 ATOM 4069 H1 TIP3 899 2.376 -25.144 35.776 0.00 0.00 WAT1 ATOM 4070 H2 TIP3 899 2.053 -24.875 37.231 0.00 0.00 WAT1 ATOM 4071 OH2 TIP3 900 6.946 -28.436 35.366 0.00 0.00 WAT1 ATOM 4072 H1 TIP3 900 7.658 -29.076 35.352 0.00 0.00 WAT1 ATOM 4073 H2 TIP3 900 6.845 -28.169 34.452 0.00 0.00 WAT1 ATOM 4074 OH2 TIP3 901 14.978 -20.763 25.402 0.00 0.00 WAT1 ATOM 4075 H1 TIP3 901 14.828 -21.708 25.382 0.00 0.00 WAT1 ATOM 4076 H2 TIP3 901 14.624 -20.482 26.246 0.00 0.00 WAT1 ATOM 4077 OH2 TIP3 902 14.688 -23.180 23.864 0.00 0.00 WAT1 ATOM 4078 H1 TIP3 902 14.968 -24.087 23.989 0.00 0.00 WAT1 ATOM 4079 H2 TIP3 902 15.447 -22.746 23.475 0.00 0.00 WAT1 ATOM 4080 OH2 TIP3 903 15.300 -22.599 29.300 0.00 0.00 WAT1 ATOM 4081 H1 TIP3 903 16.233 -22.387 29.266 0.00 0.00 WAT1 ATOM 4082 H2 TIP3 903 15.065 -22.497 30.223 0.00 0.00 WAT1 ATOM 4083 OH2 TIP3 904 15.329 -21.862 32.076 0.00 0.00 WAT1 ATOM 4084 H1 TIP3 904 14.486 -21.594 32.442 0.00 0.00 WAT1 ATOM 4085 H2 TIP3 904 15.772 -21.040 31.865 0.00 0.00 WAT1 ATOM 4086 OH2 TIP3 905 15.302 -25.917 23.913 0.00 0.00 WAT1 ATOM 4087 H1 TIP3 905 15.484 -26.366 24.738 0.00 0.00 WAT1 ATOM 4088 H2 TIP3 905 14.702 -26.502 23.449 0.00 0.00 WAT1 ATOM 4089 OH2 TIP3 906 14.220 -10.861 25.513 0.00 0.00 WAT1 ATOM 4090 H1 TIP3 906 14.873 -11.208 24.905 0.00 0.00 WAT1 ATOM 4091 H2 TIP3 906 14.731 -10.372 26.159 0.00 0.00 WAT1 ATOM 4092 OH2 TIP3 907 1.605 -13.932 36.056 0.00 0.00 WAT1 ATOM 4093 H1 TIP3 907 0.784 -13.757 35.596 0.00 0.00 WAT1 ATOM 4094 H2 TIP3 907 1.353 -14.005 36.977 0.00 0.00 WAT1 ATOM 4095 OH2 TIP3 908 4.559 -12.957 32.315 0.00 0.00 WAT1 ATOM 4096 H1 TIP3 908 4.134 -12.148 32.032 0.00 0.00 WAT1 ATOM 4097 H2 TIP3 908 5.464 -12.872 32.013 0.00 0.00 WAT1 ATOM 4098 OH2 TIP3 909 16.133 -27.683 33.598 0.00 0.00 WAT1 ATOM 4099 H1 TIP3 909 15.320 -27.358 33.210 0.00 0.00 WAT1 ATOM 4100 H2 TIP3 909 16.366 -28.443 33.065 0.00 0.00 WAT1 ATOM 4101 OH2 TIP3 910 1.961 -9.701 32.362 0.00 0.00 WAT1 ATOM 4102 H1 TIP3 910 1.241 -9.261 31.911 0.00 0.00 WAT1 ATOM 4103 H2 TIP3 910 1.595 -9.952 33.211 0.00 0.00 WAT1 ATOM 4104 OH2 TIP3 911 4.428 -10.101 31.392 0.00 0.00 WAT1 ATOM 4105 H1 TIP3 911 3.563 -10.029 31.796 0.00 0.00 WAT1 ATOM 4106 H2 TIP3 911 4.373 -9.554 30.608 0.00 0.00 WAT1 ATOM 4107 OH2 TIP3 912 1.376 -11.078 29.273 0.00 0.00 WAT1 ATOM 4108 H1 TIP3 912 1.357 -11.503 30.130 0.00 0.00 WAT1 ATOM 4109 H2 TIP3 912 2.181 -11.396 28.864 0.00 0.00 WAT1 ATOM 4110 OH2 TIP3 913 6.054 -11.898 28.776 0.00 0.00 WAT1 ATOM 4111 H1 TIP3 913 6.267 -12.786 28.489 0.00 0.00 WAT1 ATOM 4112 H2 TIP3 913 6.119 -11.932 29.731 0.00 0.00 WAT1 ATOM 4113 OH2 TIP3 914 16.432 -26.988 26.367 0.00 0.00 WAT1 ATOM 4114 H1 TIP3 914 17.044 -27.502 25.840 0.00 0.00 WAT1 ATOM 4115 H2 TIP3 914 16.815 -26.110 26.390 0.00 0.00 WAT1 ATOM 4116 OH2 TIP3 915 13.379 -27.617 22.898 0.00 0.00 WAT1 ATOM 4117 H1 TIP3 915 12.676 -27.003 22.688 0.00 0.00 WAT1 ATOM 4118 H2 TIP3 915 12.934 -28.455 23.029 0.00 0.00 WAT1 ATOM 4119 OH2 TIP3 916 16.200 -11.081 23.521 0.00 0.00 WAT1 ATOM 4120 H1 TIP3 916 16.006 -11.829 22.956 0.00 0.00 WAT1 ATOM 4121 H2 TIP3 916 16.161 -10.323 22.937 0.00 0.00 WAT1 ATOM 4122 OH2 TIP3 917 1.847 -27.086 35.260 0.00 0.00 WAT1 ATOM 4123 H1 TIP3 917 1.481 -27.851 35.703 0.00 0.00 WAT1 ATOM 4124 H2 TIP3 917 2.760 -27.057 35.547 0.00 0.00 WAT1 ATOM 4125 OH2 TIP3 918 3.820 -27.735 36.796 0.00 0.00 WAT1 ATOM 4126 H1 TIP3 918 4.719 -28.009 36.611 0.00 0.00 WAT1 ATOM 4127 H2 TIP3 918 3.434 -28.478 37.260 0.00 0.00 WAT1 ATOM 4128 OH2 TIP3 919 0.415 -23.986 40.523 0.00 0.00 WAT1 ATOM 4129 H1 TIP3 919 0.889 -23.395 39.938 0.00 0.00 WAT1 ATOM 4130 H2 TIP3 919 -0.303 -23.455 40.870 0.00 0.00 WAT1 ATOM 4131 OH2 TIP3 920 1.106 -19.456 39.127 0.00 0.00 WAT1 ATOM 4132 H1 TIP3 920 1.722 -18.829 39.506 0.00 0.00 WAT1 ATOM 4133 H2 TIP3 920 0.244 -19.140 39.398 0.00 0.00 WAT1 ATOM 4134 OH2 TIP3 921 1.453 -22.265 38.632 0.00 0.00 WAT1 ATOM 4135 H1 TIP3 921 1.408 -21.326 38.811 0.00 0.00 WAT1 ATOM 4136 H2 TIP3 921 0.565 -22.501 38.362 0.00 0.00 WAT1 ATOM 4137 OH2 TIP3 922 0.414 -15.234 38.935 0.00 0.00 WAT1 ATOM 4138 H1 TIP3 922 1.328 -15.155 39.208 0.00 0.00 WAT1 ATOM 4139 H2 TIP3 922 0.421 -15.921 38.268 0.00 0.00 WAT1 ATOM 4140 OH2 TIP3 923 2.587 -25.886 38.845 0.00 0.00 WAT1 ATOM 4141 H1 TIP3 923 3.078 -26.516 38.317 0.00 0.00 WAT1 ATOM 4142 H2 TIP3 923 3.210 -25.590 39.508 0.00 0.00 WAT1 ATOM 4143 OH2 TIP3 924 3.396 -6.487 -6.512 0.00 0.00 WAT1 ATOM 4144 H1 TIP3 924 3.177 -5.957 -7.278 0.00 0.00 WAT1 ATOM 4145 H2 TIP3 924 2.728 -6.260 -5.864 0.00 0.00 WAT1 ATOM 4146 OH2 TIP3 925 4.691 -8.278 -8.281 0.00 0.00 WAT1 ATOM 4147 H1 TIP3 925 3.830 -8.365 -8.689 0.00 0.00 WAT1 ATOM 4148 H2 TIP3 925 4.669 -7.422 -7.854 0.00 0.00 WAT1 ATOM 4149 OH2 TIP3 926 -0.860 -5.876 -11.469 0.00 0.00 WAT1 ATOM 4150 H1 TIP3 926 -0.229 -5.905 -10.749 0.00 0.00 WAT1 ATOM 4151 H2 TIP3 926 -0.410 -6.301 -12.199 0.00 0.00 WAT1 ATOM 4152 OH2 TIP3 927 1.618 -5.766 -4.560 0.00 0.00 WAT1 ATOM 4153 H1 TIP3 927 0.725 -5.427 -4.627 0.00 0.00 WAT1 ATOM 4154 H2 TIP3 927 1.519 -6.621 -4.142 0.00 0.00 WAT1 ATOM 4155 OH2 TIP3 928 2.261 -8.627 -9.263 0.00 0.00 WAT1 ATOM 4156 H1 TIP3 928 2.032 -8.568 -10.190 0.00 0.00 WAT1 ATOM 4157 H2 TIP3 928 1.818 -9.419 -8.956 0.00 0.00 WAT1 ATOM 4158 OH2 TIP3 929 6.724 -8.874 -5.017 0.00 0.00 WAT1 ATOM 4159 H1 TIP3 929 6.626 -7.927 -5.123 0.00 0.00 WAT1 ATOM 4160 H2 TIP3 929 5.981 -9.246 -5.493 0.00 0.00 WAT1 ATOM 4161 OH2 TIP3 930 2.165 -5.581 -1.325 0.00 0.00 WAT1 ATOM 4162 H1 TIP3 930 2.376 -6.288 -1.936 0.00 0.00 WAT1 ATOM 4163 H2 TIP3 930 2.053 -6.019 -0.481 0.00 0.00 WAT1 ATOM 4164 OH2 TIP3 931 6.946 -9.580 -2.346 0.00 0.00 WAT1 ATOM 4165 H1 TIP3 931 7.658 -10.220 -2.360 0.00 0.00 WAT1 ATOM 4166 H2 TIP3 931 6.845 -9.313 -3.260 0.00 0.00 WAT1 ATOM 4167 OH2 TIP3 932 -0.389 -4.558 -2.159 0.00 0.00 WAT1 ATOM 4168 H1 TIP3 932 0.530 -4.680 -1.923 0.00 0.00 WAT1 ATOM 4169 H2 TIP3 932 -0.839 -5.308 -1.770 0.00 0.00 WAT1 ATOM 4170 OH2 TIP3 933 0.832 -6.246 -9.268 0.00 0.00 WAT1 ATOM 4171 H1 TIP3 933 1.277 -7.038 -8.966 0.00 0.00 WAT1 ATOM 4172 H2 TIP3 933 1.298 -5.530 -8.837 0.00 0.00 WAT1 ATOM 4173 OH2 TIP3 934 -0.864 -3.247 -8.199 0.00 0.00 WAT1 ATOM 4174 H1 TIP3 934 -0.372 -3.468 -8.989 0.00 0.00 WAT1 ATOM 4175 H2 TIP3 934 -0.502 -2.406 -7.918 0.00 0.00 WAT1 ATOM 4176 OH2 TIP3 935 1.847 -8.230 -2.452 0.00 0.00 WAT1 ATOM 4177 H1 TIP3 935 1.481 -8.995 -2.009 0.00 0.00 WAT1 ATOM 4178 H2 TIP3 935 2.760 -8.201 -2.165 0.00 0.00 WAT1 ATOM 4179 OH2 TIP3 936 3.820 -8.879 -0.916 0.00 0.00 WAT1 ATOM 4180 H1 TIP3 936 4.719 -9.153 -1.101 0.00 0.00 WAT1 ATOM 4181 H2 TIP3 936 3.434 -9.622 -0.452 0.00 0.00 WAT1 ATOM 4182 OH2 TIP3 937 4.586 -5.405 8.270 0.00 0.00 WAT1 ATOM 4183 H1 TIP3 937 4.629 -4.545 7.852 0.00 0.00 WAT1 ATOM 4184 H2 TIP3 937 4.128 -5.957 7.637 0.00 0.00 WAT1 ATOM 4185 OH2 TIP3 938 3.396 -6.487 12.344 0.00 0.00 WAT1 ATOM 4186 H1 TIP3 938 3.177 -5.957 11.578 0.00 0.00 WAT1 ATOM 4187 H2 TIP3 938 2.728 -6.260 12.992 0.00 0.00 WAT1 ATOM 4188 OH2 TIP3 939 2.990 -4.595 10.297 0.00 0.00 WAT1 ATOM 4189 H1 TIP3 939 3.603 -3.962 10.670 0.00 0.00 WAT1 ATOM 4190 H2 TIP3 939 3.502 -5.067 9.640 0.00 0.00 WAT1 ATOM 4191 OH2 TIP3 940 7.422 -9.181 9.797 0.00 0.00 WAT1 ATOM 4192 H1 TIP3 940 7.305 -10.130 9.743 0.00 0.00 WAT1 ATOM 4193 H2 TIP3 940 6.567 -8.849 10.070 0.00 0.00 WAT1 ATOM 4194 OH2 TIP3 941 9.354 -8.556 13.949 0.00 0.00 WAT1 ATOM 4195 H1 TIP3 941 9.774 -8.971 14.702 0.00 0.00 WAT1 ATOM 4196 H2 TIP3 941 8.421 -8.734 14.066 0.00 0.00 WAT1 ATOM 4197 OH2 TIP3 942 -0.860 -5.876 7.387 0.00 0.00 WAT1 ATOM 4198 H1 TIP3 942 -0.229 -5.905 8.107 0.00 0.00 WAT1 ATOM 4199 H2 TIP3 942 -0.410 -6.301 6.657 0.00 0.00 WAT1 ATOM 4200 OH2 TIP3 943 0.415 -5.130 2.811 0.00 0.00 WAT1 ATOM 4201 H1 TIP3 943 0.889 -4.539 2.226 0.00 0.00 WAT1 ATOM 4202 H2 TIP3 943 -0.303 -4.599 3.158 0.00 0.00 WAT1 ATOM 4203 OH2 TIP3 944 7.361 -5.664 7.668 0.00 0.00 WAT1 ATOM 4204 H1 TIP3 944 6.450 -5.607 7.957 0.00 0.00 WAT1 ATOM 4205 H2 TIP3 944 7.866 -5.724 8.479 0.00 0.00 WAT1 ATOM 4206 OH2 TIP3 945 3.683 -6.740 5.973 0.00 0.00 WAT1 ATOM 4207 H1 TIP3 945 3.366 -7.642 5.938 0.00 0.00 WAT1 ATOM 4208 H2 TIP3 945 4.464 -6.738 5.421 0.00 0.00 WAT1 ATOM 4209 OH2 TIP3 946 7.307 -4.488 11.969 0.00 0.00 WAT1 ATOM 4210 H1 TIP3 946 6.472 -4.034 12.079 0.00 0.00 WAT1 ATOM 4211 H2 TIP3 946 7.831 -4.212 12.721 0.00 0.00 WAT1 ATOM 4212 OH2 TIP3 947 1.618 -5.766 14.296 0.00 0.00 WAT1 ATOM 4213 H1 TIP3 947 0.725 -5.427 14.229 0.00 0.00 WAT1 ATOM 4214 H2 TIP3 947 1.519 -6.621 14.714 0.00 0.00 WAT1 ATOM 4215 OH2 TIP3 948 9.221 -7.564 6.056 0.00 0.00 WAT1 ATOM 4216 H1 TIP3 948 8.874 -6.946 6.701 0.00 0.00 WAT1 ATOM 4217 H2 TIP3 948 9.879 -7.063 5.575 0.00 0.00 WAT1 ATOM 4218 OH2 TIP3 949 2.261 -8.627 9.593 0.00 0.00 WAT1 ATOM 4219 H1 TIP3 949 2.032 -8.568 8.666 0.00 0.00 WAT1 ATOM 4220 H2 TIP3 949 1.818 -9.419 9.900 0.00 0.00 WAT1 ATOM 4221 OH2 TIP3 950 5.506 -4.700 15.915 0.00 0.00 WAT1 ATOM 4222 H1 TIP3 950 5.656 -5.429 15.312 0.00 0.00 WAT1 ATOM 4223 H2 TIP3 950 5.508 -3.923 15.356 0.00 0.00 WAT1 ATOM 4224 OH2 TIP3 951 5.918 -6.330 13.407 0.00 0.00 WAT1 ATOM 4225 H1 TIP3 951 6.454 -5.879 12.755 0.00 0.00 WAT1 ATOM 4226 H2 TIP3 951 5.066 -6.438 12.985 0.00 0.00 WAT1 ATOM 4227 OH2 TIP3 952 3.984 -3.502 17.826 0.00 0.00 WAT1 ATOM 4228 H1 TIP3 952 3.217 -4.034 17.616 0.00 0.00 WAT1 ATOM 4229 H2 TIP3 952 4.663 -3.812 17.227 0.00 0.00 WAT1 ATOM 4230 OH2 TIP3 953 7.988 -4.552 17.402 0.00 0.00 WAT1 ATOM 4231 H1 TIP3 953 7.752 -4.772 18.304 0.00 0.00 WAT1 ATOM 4232 H2 TIP3 953 7.205 -4.759 16.893 0.00 0.00 WAT1 ATOM 4233 OH2 TIP3 954 10.704 -5.425 16.478 0.00 0.00 WAT1 ATOM 4234 H1 TIP3 954 9.756 -5.393 16.610 0.00 0.00 WAT1 ATOM 4235 H2 TIP3 954 11.016 -6.050 17.132 0.00 0.00 WAT1 ATOM 4236 OH2 TIP3 955 12.338 -6.791 18.483 0.00 0.00 WAT1 ATOM 4237 H1 TIP3 955 12.241 -7.743 18.477 0.00 0.00 WAT1 ATOM 4238 H2 TIP3 955 12.016 -6.522 19.344 0.00 0.00 WAT1 ATOM 4239 OH2 TIP3 956 2.165 -5.581 17.531 0.00 0.00 WAT1 ATOM 4240 H1 TIP3 956 2.376 -6.288 16.920 0.00 0.00 WAT1 ATOM 4241 H2 TIP3 956 2.053 -6.019 18.375 0.00 0.00 WAT1 ATOM 4242 OH2 TIP3 957 7.299 -7.897 18.564 0.00 0.00 WAT1 ATOM 4243 H1 TIP3 957 7.168 -8.373 17.743 0.00 0.00 WAT1 ATOM 4244 H2 TIP3 957 6.700 -7.153 18.508 0.00 0.00 WAT1 ATOM 4245 OH2 TIP3 958 -0.389 -4.558 16.697 0.00 0.00 WAT1 ATOM 4246 H1 TIP3 958 0.530 -4.680 16.933 0.00 0.00 WAT1 ATOM 4247 H2 TIP3 958 -0.839 -5.308 17.086 0.00 0.00 WAT1 ATOM 4248 OH2 TIP3 959 0.832 -6.246 9.588 0.00 0.00 WAT1 ATOM 4249 H1 TIP3 959 1.277 -7.038 9.890 0.00 0.00 WAT1 ATOM 4250 H2 TIP3 959 1.298 -5.530 10.019 0.00 0.00 WAT1 ATOM 4251 OH2 TIP3 960 -0.864 -3.247 10.657 0.00 0.00 WAT1 ATOM 4252 H1 TIP3 960 -0.372 -3.468 9.867 0.00 0.00 WAT1 ATOM 4253 H2 TIP3 960 -0.502 -2.406 10.938 0.00 0.00 WAT1 ATOM 4254 OH2 TIP3 961 -0.551 -6.989 4.712 0.00 0.00 WAT1 ATOM 4255 H1 TIP3 961 -1.476 -6.780 4.582 0.00 0.00 WAT1 ATOM 4256 H2 TIP3 961 -0.097 -6.505 4.022 0.00 0.00 WAT1 ATOM 4257 OH2 TIP3 962 -0.587 -8.251 13.056 0.00 0.00 WAT1 ATOM 4258 H1 TIP3 962 -1.252 -8.497 13.699 0.00 0.00 WAT1 ATOM 4259 H2 TIP3 962 -1.030 -7.629 12.479 0.00 0.00 WAT1 ATOM 4260 OH2 TIP3 963 9.563 -7.378 9.065 0.00 0.00 WAT1 ATOM 4261 H1 TIP3 963 8.888 -8.007 9.320 0.00 0.00 WAT1 ATOM 4262 H2 TIP3 963 10.127 -7.862 8.462 0.00 0.00 WAT1 ATOM 4263 OH2 TIP3 964 1.889 -8.744 6.887 0.00 0.00 WAT1 ATOM 4264 H1 TIP3 964 1.112 -8.978 6.379 0.00 0.00 WAT1 ATOM 4265 H2 TIP3 964 2.420 -9.541 6.895 0.00 0.00 WAT1 ATOM 4266 OH2 TIP3 965 0.726 -8.946 2.690 0.00 0.00 WAT1 ATOM 4267 H1 TIP3 965 1.165 -8.335 2.099 0.00 0.00 WAT1 ATOM 4268 H2 TIP3 965 0.092 -8.408 3.164 0.00 0.00 WAT1 ATOM 4269 OH2 TIP3 966 6.469 -8.817 6.700 0.00 0.00 WAT1 ATOM 4270 H1 TIP3 966 7.343 -8.429 6.670 0.00 0.00 WAT1 ATOM 4271 H2 TIP3 966 6.333 -9.032 7.623 0.00 0.00 WAT1 ATOM 4272 OH2 TIP3 967 12.026 -8.787 8.349 0.00 0.00 WAT1 ATOM 4273 H1 TIP3 967 12.102 -8.692 7.400 0.00 0.00 WAT1 ATOM 4274 H2 TIP3 967 11.750 -9.695 8.478 0.00 0.00 WAT1 ATOM 4275 OH2 TIP3 968 2.587 -7.030 1.133 0.00 0.00 WAT1 ATOM 4276 H1 TIP3 968 3.078 -7.660 0.605 0.00 0.00 WAT1 ATOM 4277 H2 TIP3 968 3.210 -6.734 1.796 0.00 0.00 WAT1 ATOM 4278 OH2 TIP3 969 -0.197 -2.608 24.641 0.00 0.00 WAT1 ATOM 4279 H1 TIP3 969 -0.645 -1.762 24.623 0.00 0.00 WAT1 ATOM 4280 H2 TIP3 969 -0.758 -3.188 24.126 0.00 0.00 WAT1 ATOM 4281 OH2 TIP3 970 0.513 -0.446 26.767 0.00 0.00 WAT1 ATOM 4282 H1 TIP3 970 0.727 -1.216 27.294 0.00 0.00 WAT1 ATOM 4283 H2 TIP3 970 1.251 -0.357 26.164 0.00 0.00 WAT1 ATOM 4284 OH2 TIP3 971 1.206 -3.008 27.888 0.00 0.00 WAT1 ATOM 4285 H1 TIP3 971 1.860 -3.558 28.320 0.00 0.00 WAT1 ATOM 4286 H2 TIP3 971 1.230 -3.282 26.972 0.00 0.00 WAT1 ATOM 4287 OH2 TIP3 972 6.362 -1.458 27.104 0.00 0.00 WAT1 ATOM 4288 H1 TIP3 972 6.978 -1.984 27.613 0.00 0.00 WAT1 ATOM 4289 H2 TIP3 972 5.776 -2.098 26.700 0.00 0.00 WAT1 ATOM 4290 OH2 TIP3 973 3.396 -6.487 31.200 0.00 0.00 WAT1 ATOM 4291 H1 TIP3 973 3.177 -5.957 30.434 0.00 0.00 WAT1 ATOM 4292 H2 TIP3 973 2.728 -6.260 31.848 0.00 0.00 WAT1 ATOM 4293 OH2 TIP3 974 2.990 -4.595 29.153 0.00 0.00 WAT1 ATOM 4294 H1 TIP3 974 3.603 -3.962 29.526 0.00 0.00 WAT1 ATOM 4295 H2 TIP3 974 3.502 -5.067 28.496 0.00 0.00 WAT1 ATOM 4296 OH2 TIP3 975 7.422 -9.181 28.653 0.00 0.00 WAT1 ATOM 4297 H1 TIP3 975 7.305 -10.130 28.599 0.00 0.00 WAT1 ATOM 4298 H2 TIP3 975 6.567 -8.849 28.926 0.00 0.00 WAT1 ATOM 4299 OH2 TIP3 976 15.664 -9.222 21.603 0.00 0.00 WAT1 ATOM 4300 H1 TIP3 976 14.765 -9.083 21.898 0.00 0.00 WAT1 ATOM 4301 H2 TIP3 976 15.916 -8.391 21.201 0.00 0.00 WAT1 ATOM 4302 OH2 TIP3 977 3.730 -0.434 23.577 0.00 0.00 WAT1 ATOM 4303 H1 TIP3 977 3.438 0.334 23.086 0.00 0.00 WAT1 ATOM 4304 H2 TIP3 977 3.056 -1.094 23.414 0.00 0.00 WAT1 ATOM 4305 OH2 TIP3 978 4.691 -8.278 29.431 0.00 0.00 WAT1 ATOM 4306 H1 TIP3 978 3.830 -8.365 29.023 0.00 0.00 WAT1 ATOM 4307 H2 TIP3 978 4.669 -7.422 29.858 0.00 0.00 WAT1 ATOM 4308 OH2 TIP3 979 9.016 -6.063 20.090 0.00 0.00 WAT1 ATOM 4309 H1 TIP3 979 8.762 -6.044 21.013 0.00 0.00 WAT1 ATOM 4310 H2 TIP3 979 8.759 -6.935 19.789 0.00 0.00 WAT1 ATOM 4311 OH2 TIP3 980 4.782 -3.312 30.526 0.00 0.00 WAT1 ATOM 4312 H1 TIP3 980 4.140 -3.353 31.235 0.00 0.00 WAT1 ATOM 4313 H2 TIP3 980 4.819 -2.386 30.288 0.00 0.00 WAT1 ATOM 4314 OH2 TIP3 981 4.779 -3.091 25.438 0.00 0.00 WAT1 ATOM 4315 H1 TIP3 981 3.886 -3.432 25.379 0.00 0.00 WAT1 ATOM 4316 H2 TIP3 981 5.230 -3.468 24.682 0.00 0.00 WAT1 ATOM 4317 OH2 TIP3 982 5.898 -5.618 19.191 0.00 0.00 WAT1 ATOM 4318 H1 TIP3 982 5.467 -6.063 19.921 0.00 0.00 WAT1 ATOM 4319 H2 TIP3 982 5.180 -5.246 18.679 0.00 0.00 WAT1 ATOM 4320 OH2 TIP3 983 0.415 -5.130 21.667 0.00 0.00 WAT1 ATOM 4321 H1 TIP3 983 0.889 -4.539 21.082 0.00 0.00 WAT1 ATOM 4322 H2 TIP3 983 -0.303 -4.599 22.014 0.00 0.00 WAT1 ATOM 4323 OH2 TIP3 984 7.361 -5.664 26.524 0.00 0.00 WAT1 ATOM 4324 H1 TIP3 984 6.450 -5.607 26.813 0.00 0.00 WAT1 ATOM 4325 H2 TIP3 984 7.866 -5.724 27.335 0.00 0.00 WAT1 ATOM 4326 OH2 TIP3 985 5.842 -4.035 23.007 0.00 0.00 WAT1 ATOM 4327 H1 TIP3 985 6.774 -3.906 23.185 0.00 0.00 WAT1 ATOM 4328 H2 TIP3 985 5.627 -3.365 22.358 0.00 0.00 WAT1 ATOM 4329 OH2 TIP3 986 4.516 -2.840 20.574 0.00 0.00 WAT1 ATOM 4330 H1 TIP3 986 3.974 -3.220 19.883 0.00 0.00 WAT1 ATOM 4331 H2 TIP3 986 5.350 -2.646 20.145 0.00 0.00 WAT1 ATOM 4332 OH2 TIP3 987 11.749 -5.461 20.709 0.00 0.00 WAT1 ATOM 4333 H1 TIP3 987 10.811 -5.349 20.558 0.00 0.00 WAT1 ATOM 4334 H2 TIP3 987 12.046 -4.604 21.015 0.00 0.00 WAT1 ATOM 4335 OH2 TIP3 988 1.618 -5.766 33.152 0.00 0.00 WAT1 ATOM 4336 H1 TIP3 988 0.725 -5.427 33.085 0.00 0.00 WAT1 ATOM 4337 H2 TIP3 988 1.519 -6.621 33.570 0.00 0.00 WAT1 ATOM 4338 OH2 TIP3 989 11.137 -6.373 23.139 0.00 0.00 WAT1 ATOM 4339 H1 TIP3 989 11.357 -5.901 22.336 0.00 0.00 WAT1 ATOM 4340 H2 TIP3 989 11.695 -5.978 23.810 0.00 0.00 WAT1 ATOM 4341 OH2 TIP3 990 8.337 -4.645 23.974 0.00 0.00 WAT1 ATOM 4342 H1 TIP3 990 9.149 -4.141 24.020 0.00 0.00 WAT1 ATOM 4343 H2 TIP3 990 8.092 -4.790 24.888 0.00 0.00 WAT1 ATOM 4344 OH2 TIP3 991 9.221 -7.564 24.912 0.00 0.00 WAT1 ATOM 4345 H1 TIP3 991 8.874 -6.946 25.557 0.00 0.00 WAT1 ATOM 4346 H2 TIP3 991 9.879 -7.063 24.431 0.00 0.00 WAT1 ATOM 4347 OH2 TIP3 992 4.878 -6.501 21.600 0.00 0.00 WAT1 ATOM 4348 H1 TIP3 992 4.795 -5.612 21.946 0.00 0.00 WAT1 ATOM 4349 H2 TIP3 992 5.768 -6.766 21.831 0.00 0.00 WAT1 ATOM 4350 OH2 TIP3 993 1.453 -3.409 19.776 0.00 0.00 WAT1 ATOM 4351 H1 TIP3 993 1.408 -2.470 19.955 0.00 0.00 WAT1 ATOM 4352 H2 TIP3 993 0.565 -3.645 19.506 0.00 0.00 WAT1 ATOM 4353 OH2 TIP3 994 5.918 -6.330 32.263 0.00 0.00 WAT1 ATOM 4354 H1 TIP3 994 6.454 -5.879 31.611 0.00 0.00 WAT1 ATOM 4355 H2 TIP3 994 5.066 -6.438 31.841 0.00 0.00 WAT1 ATOM 4356 OH2 TIP3 995 -0.864 -3.247 29.513 0.00 0.00 WAT1 ATOM 4357 H1 TIP3 995 -0.372 -3.468 28.723 0.00 0.00 WAT1 ATOM 4358 H2 TIP3 995 -0.502 -2.406 29.794 0.00 0.00 WAT1 ATOM 4359 OH2 TIP3 996 -0.587 -8.251 31.912 0.00 0.00 WAT1 ATOM 4360 H1 TIP3 996 -1.252 -8.497 32.555 0.00 0.00 WAT1 ATOM 4361 H2 TIP3 996 -1.030 -7.629 31.335 0.00 0.00 WAT1 ATOM 4362 OH2 TIP3 997 9.563 -7.378 27.921 0.00 0.00 WAT1 ATOM 4363 H1 TIP3 997 8.888 -8.007 28.176 0.00 0.00 WAT1 ATOM 4364 H2 TIP3 997 10.127 -7.862 27.318 0.00 0.00 WAT1 ATOM 4365 OH2 TIP3 998 13.379 -8.761 22.898 0.00 0.00 WAT1 ATOM 4366 H1 TIP3 998 12.676 -8.147 22.688 0.00 0.00 WAT1 ATOM 4367 H2 TIP3 998 12.934 -9.599 23.029 0.00 0.00 WAT1 ATOM 4368 OH2 TIP3 999 2.587 -7.030 19.989 0.00 0.00 WAT1 ATOM 4369 H1 TIP3 999 3.078 -7.660 19.461 0.00 0.00 WAT1 ATOM 4370 H2 TIP3 999 3.210 -6.734 20.652 0.00 0.00 WAT1 ATOM 4371 OH2 TIP3 1000 7.613 -6.737 22.446 0.00 0.00 WAT1 ATOM 4372 H1 TIP3 1000 7.791 -7.383 23.129 0.00 0.00 WAT1 ATOM 4373 H2 TIP3 1000 7.559 -5.903 22.913 0.00 0.00 WAT1 ATOM 4374 OH2 TIP3 1001 17.919 -28.697 25.156 0.00 0.00 WAT1 ATOM 4375 H1 TIP3 1001 17.272 -29.159 24.623 0.00 0.00 WAT1 ATOM 4376 H2 TIP3 1001 18.274 -29.369 25.739 0.00 0.00 WAT1 ATOM 4377 OH2 TIP3 1002 17.996 -24.732 26.243 0.00 0.00 WAT1 ATOM 4378 H1 TIP3 1002 18.627 -24.761 26.963 0.00 0.00 WAT1 ATOM 4379 H2 TIP3 1002 18.446 -25.157 25.513 0.00 0.00 WAT1 ATOM 4380 OH2 TIP3 1003 19.688 -25.102 28.444 0.00 0.00 WAT1 ATOM 4381 H1 TIP3 1003 20.133 -25.894 28.746 0.00 0.00 WAT1 ATOM 4382 H2 TIP3 1003 20.154 -24.386 28.875 0.00 0.00 WAT1 ATOM 4383 OH2 TIP3 1004 17.992 -22.103 29.513 0.00 0.00 WAT1 ATOM 4384 H1 TIP3 1004 18.484 -22.324 28.723 0.00 0.00 WAT1 ATOM 4385 H2 TIP3 1004 18.354 -21.262 29.794 0.00 0.00 WAT1 ATOM 4386 OH2 TIP3 1005 18.305 -25.845 23.568 0.00 0.00 WAT1 ATOM 4387 H1 TIP3 1005 17.380 -25.636 23.438 0.00 0.00 WAT1 ATOM 4388 H2 TIP3 1005 18.759 -25.361 22.878 0.00 0.00 WAT1 ATOM 4389 OH2 TIP3 1006 18.269 -27.107 31.912 0.00 0.00 WAT1 ATOM 4390 H1 TIP3 1006 17.604 -27.353 32.555 0.00 0.00 WAT1 ATOM 4391 H2 TIP3 1006 17.826 -26.485 31.335 0.00 0.00 WAT1 END