REMARK FILENAME="/farm/data/gliu/projects/HR4495E/cns/calc15/refinedPDB_w/res" REMARK ***** CHARMM water box from Charlie Brooks. ******** REMARK * This is a box of 216 3-site water molecules in the experimental REMARK * geometry. It was constructed from an equilibrated REMARK * configuration of TIP3P (3-site water model of Jorgenson) REMARK * waters at 1 atm pressure and a density of 0.0334 molecules/A**-3. REMARK * The box edgelength is 18.856 A. The minimum image periodic REMARK * boundary energy for this configuration using the TIP3P REMARK * potentials is -2150.6833 kcal/mol. REMARK DATE:13-Sep-2010 14:06:16 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 10.515 -27.577 -3.441 1.00 63.02 ATOM 2 CB MET 1 11.957 -29.164 -3.481 1.00 51.02 ATOM 3 HB1 MET 1 12.584 -28.875 -2.645 1.00 37.06 ATOM 4 HB2 MET 1 12.582 -29.637 -4.227 1.00 34.52 ATOM 5 CG MET 1 10.943 -30.170 -2.962 1.00 32.21 ATOM 6 HG1 MET 1 10.119 -29.640 -2.501 1.00 37.06 ATOM 7 HG2 MET 1 11.424 -30.784 -2.214 1.00 4.12 ATOM 8 SD MET 1 10.288 -31.231 -4.264 1.00 73.41 ATOM 9 CE MET 1 11.250 -32.720 -4.004 1.00 13.30 ATOM 10 HE1 MET 1 11.069 -33.096 -3.008 1.00 62.03 ATOM 11 HE2 MET 1 12.300 -32.495 -4.118 1.00 74.52 ATOM 12 HE3 MET 1 10.961 -33.466 -4.729 1.00 32.52 ATOM 13 C MET 1 12.359 -26.796 -4.181 1.00 72.03 ATOM 14 O MET 1 13.102 -26.711 -5.158 1.00 72.41 ATOM 15 N MET 1 10.753 -28.208 -5.393 1.00 23.02 ATOM 16 HT1 MET 1 9.844 -28.693 -5.285 1.00 37.06 ATOM 17 HT2 MET 1 11.393 -28.812 -5.953 1.00 37.06 ATOM 18 HT3 MET 1 10.583 -27.327 -5.928 1.00 37.06 ATOM 19 CA MET 1 11.321 -27.910 -4.083 1.00 52.51 ATOM 20 N GLY 2 12.404 -25.943 -3.162 1.00 53.03 ATOM 21 HN GLY 2 11.779 -26.048 -2.407 1.00 37.06 ATOM 22 CA GLY 2 13.354 -24.846 -3.154 1.00 72.04 ATOM 23 HA1 GLY 2 12.843 -23.946 -3.466 1.00 37.06 ATOM 24 HA2 GLY 2 14.160 -25.043 -3.853 1.00 34.53 ATOM 25 C GLY 2 13.968 -24.621 -1.787 1.00 42.12 ATOM 26 O GLY 2 14.809 -25.402 -1.340 1.00 41.31 ATOM 27 N HIS 3 13.549 -23.550 -1.121 1.00 4.41 ATOM 28 HN HIS 3 12.860 -22.967 -1.522 1.00 37.06 ATOM 29 CA HIS 3 14.065 -23.223 0.204 1.00 63.12 ATOM 30 HA HIS 3 15.082 -23.586 0.282 1.00 32.41 ATOM 31 CB HIS 3 14.047 -21.710 0.423 1.00 72.02 ATOM 32 HB1 HIS 3 14.043 -21.485 1.483 1.00 37.06 ATOM 33 HB2 HIS 3 13.159 -21.292 -0.027 1.00 75.12 ATOM 34 CG HIS 3 15.231 -21.005 -0.164 1.00 72.33 ATOM 35 ND1 HIS 3 15.227 -19.663 -0.481 1.00 21.23 ATOM 36 HD1 HIS 3 14.473 -19.048 -0.361 1.00 65.03 ATOM 37 CD2 HIS 3 16.462 -21.464 -0.491 1.00 13.12 ATOM 38 HD2 HIS 3 16.822 -22.476 -0.377 1.00 41.50 ATOM 39 CE1 HIS 3 16.404 -19.327 -0.978 1.00 71.10 ATOM 40 HE1 HIS 3 16.690 -18.341 -1.313 1.00 5.34 ATOM 41 NE2 HIS 3 17.172 -20.402 -0.994 1.00 54.24 ATOM 42 HE2 HIS 3 18.063 -20.454 -1.399 1.00 37.06 ATOM 43 C HIS 3 13.249 -23.916 1.291 1.00 63.44 ATOM 44 O HIS 3 12.729 -23.268 2.199 1.00 31.22 ATOM 45 N HIS 4 13.141 -25.237 1.191 1.00 72.54 ATOM 46 HN HIS 4 13.612 -25.711 0.473 1.00 37.06 ATOM 47 CA HIS 4 12.388 -26.019 2.165 1.00 13.33 ATOM 48 HA HIS 4 11.468 -25.488 2.387 1.00 21.33 ATOM 49 CB HIS 4 12.039 -27.392 1.590 1.00 53.41 ATOM 50 HB1 HIS 4 12.931 -28.004 1.537 1.00 37.06 ATOM 51 HB2 HIS 4 11.642 -27.263 0.593 1.00 75.23 ATOM 52 CG HIS 4 11.014 -28.134 2.391 1.00 11.01 ATOM 53 ND1 HIS 4 11.338 -29.125 3.294 1.00 54.13 ATOM 54 HD1 HIS 4 12.243 -29.439 3.500 1.00 34.14 ATOM 55 CD2 HIS 4 9.665 -28.024 2.423 1.00 2.00 ATOM 56 HD2 HIS 4 9.064 -27.341 1.840 1.00 70.31 ATOM 57 CE1 HIS 4 10.232 -29.594 3.845 1.00 42.42 ATOM 58 HE1 HIS 4 10.179 -30.376 4.588 1.00 42.10 ATOM 59 NE2 HIS 4 9.203 -28.942 3.334 1.00 42.11 ATOM 60 HE2 HIS 4 8.274 -29.027 3.636 1.00 37.06 ATOM 61 C HIS 4 13.180 -26.183 3.459 1.00 53.40 ATOM 62 O HIS 4 12.685 -25.877 4.545 1.00 43.34 ATOM 63 N HIS 5 14.411 -26.668 3.336 1.00 41.21 ATOM 64 HN HIS 5 14.753 -26.865 2.437 1.00 37.06 ATOM 65 CA HIS 5 15.272 -26.873 4.496 1.00 54.52 ATOM 66 HA HIS 5 14.652 -27.065 5.364 1.00 22.31 ATOM 67 CB HIS 5 16.178 -28.084 4.277 1.00 20.22 ATOM 68 HB1 HIS 5 15.563 -28.967 4.184 1.00 37.06 ATOM 69 HB2 HIS 5 16.837 -28.202 5.127 1.00 12.31 ATOM 70 CG HIS 5 17.024 -27.985 3.045 1.00 31.02 ATOM 71 ND1 HIS 5 16.611 -28.439 1.810 1.00 23.34 ATOM 72 HD1 HIS 5 15.749 -28.861 1.614 1.00 12.31 ATOM 73 CD2 HIS 5 18.266 -27.478 2.862 1.00 35.03 ATOM 74 HD2 HIS 5 18.895 -27.033 3.620 1.00 1.11 ATOM 75 CE1 HIS 5 17.563 -28.218 0.922 1.00 42.44 ATOM 76 HE1 HIS 5 17.519 -28.470 -0.127 1.00 72.24 ATOM 77 NE2 HIS 5 18.578 -27.635 1.534 1.00 12.33 ATOM 78 HE2 HIS 5 19.374 -27.275 1.090 1.00 37.06 ATOM 79 C HIS 5 16.117 -25.633 4.771 1.00 42.35 ATOM 80 O HIS 5 16.180 -24.717 3.950 1.00 54.23 ATOM 81 N HIS 6 16.766 -25.610 5.930 1.00 2.14 ATOM 82 HN HIS 6 16.662 -26.356 6.561 1.00 37.06 ATOM 83 CA HIS 6 17.608 -24.482 6.313 1.00 22.14 ATOM 84 HA HIS 6 17.900 -24.622 7.345 1.00 43.21 ATOM 85 CB HIS 6 18.859 -24.431 5.435 1.00 13.31 ATOM 86 HB1 HIS 6 19.368 -23.485 5.579 1.00 37.06 ATOM 87 HB2 HIS 6 18.579 -24.524 4.399 1.00 74.22 ATOM 88 CG HIS 6 19.849 -25.512 5.740 1.00 43.14 ATOM 89 ND1 HIS 6 19.520 -26.665 6.421 1.00 53.41 ATOM 90 HD1 HIS 6 18.648 -26.898 6.782 1.00 71.01 ATOM 91 CD2 HIS 6 21.168 -25.612 5.450 1.00 53.11 ATOM 92 HD2 HIS 6 21.764 -24.884 4.918 1.00 61.15 ATOM 93 CE1 HIS 6 20.593 -27.426 6.539 1.00 51.13 ATOM 94 HE1 HIS 6 20.635 -28.389 7.027 1.00 21.25 ATOM 95 NE2 HIS 6 21.606 -26.810 5.957 1.00 25.13 ATOM 96 HE2 HIS 6 22.498 -27.193 5.822 1.00 37.06 ATOM 97 C HIS 6 16.840 -23.168 6.203 1.00 61.52 ATOM 98 O HIS 6 17.339 -22.191 5.643 1.00 34.15 ATOM 99 N HIS 7 15.624 -23.153 6.739 1.00 53.24 ATOM 100 HN HIS 7 15.277 -23.957 7.191 1.00 37.06 ATOM 101 CA HIS 7 14.787 -21.959 6.700 1.00 55.12 ATOM 102 HA HIS 7 15.238 -21.235 6.029 1.00 51.30 ATOM 103 CB HIS 7 13.390 -22.306 6.183 1.00 61.21 ATOM 104 HB1 HIS 7 12.770 -22.668 6.994 1.00 37.06 ATOM 105 HB2 HIS 7 13.475 -23.086 5.438 1.00 52.04 ATOM 106 CG HIS 7 12.685 -21.152 5.540 1.00 43.31 ATOM 107 ND1 HIS 7 12.894 -19.840 5.912 1.00 21.52 ATOM 108 HD1 HIS 7 13.503 -19.526 6.607 1.00 55.51 ATOM 109 CD2 HIS 7 11.771 -21.117 4.542 1.00 0.03 ATOM 110 HD2 HIS 7 11.371 -21.968 4.009 1.00 1.23 ATOM 111 CE1 HIS 7 12.137 -19.049 5.173 1.00 65.33 ATOM 112 HE1 HIS 7 12.091 -17.972 5.243 1.00 55.23 ATOM 113 NE2 HIS 7 11.447 -19.799 4.333 1.00 35.21 ATOM 114 HE2 HIS 7 10.745 -19.474 3.732 1.00 37.06 ATOM 115 C HIS 7 14.686 -21.321 8.082 1.00 41.41 ATOM 116 O HIS 7 13.611 -20.893 8.503 1.00 52.32 ATOM 117 N HIS 8 15.813 -21.261 8.784 1.00 2.41 ATOM 118 HN HIS 8 16.645 -21.616 8.403 1.00 37.06 ATOM 119 CA HIS 8 15.852 -20.675 10.119 1.00 12.43 ATOM 120 HA HIS 8 14.840 -20.508 10.468 1.00 11.40 ATOM 121 CB HIS 8 16.543 -21.626 11.097 1.00 54.21 ATOM 122 HB1 HIS 8 16.025 -22.574 11.090 1.00 37.06 ATOM 123 HB2 HIS 8 16.499 -21.208 12.093 1.00 11.12 ATOM 124 CG HIS 8 17.981 -21.882 10.768 1.00 2.11 ATOM 125 ND1 HIS 8 19.006 -21.056 11.180 1.00 72.01 ATOM 126 HD1 HIS 8 18.905 -20.240 11.713 1.00 22.14 ATOM 127 CD2 HIS 8 18.564 -22.880 10.064 1.00 43.01 ATOM 128 HD2 HIS 8 18.059 -23.711 9.591 1.00 1.14 ATOM 129 CE1 HIS 8 20.157 -21.534 10.742 1.00 73.13 ATOM 130 HE1 HIS 8 21.129 -21.095 10.912 1.00 51.25 ATOM 131 NE2 HIS 8 19.917 -22.641 10.062 1.00 15.20 ATOM 132 HE2 HIS 8 20.602 -23.248 9.712 1.00 37.06 ATOM 133 C HIS 8 16.574 -19.331 10.102 1.00 4.12 ATOM 134 O HIS 8 16.325 -18.470 10.946 1.00 31.21 ATOM 135 N SER 9 17.471 -19.159 9.136 1.00 10.21 ATOM 136 HN SER 9 17.655 -19.882 8.500 1.00 37.06 ATOM 137 CA SER 9 18.233 -17.922 9.012 1.00 1.20 ATOM 138 HA SER 9 18.889 -17.848 9.867 1.00 52.44 ATOM 139 CB SER 9 19.079 -17.945 7.738 1.00 44.12 ATOM 140 HB1 SER 9 19.740 -18.799 7.766 1.00 37.06 ATOM 141 HB2 SER 9 19.666 -17.040 7.675 1.00 71.13 ATOM 142 OG SER 9 18.262 -18.041 6.584 1.00 32.43 ATOM 143 HG SER 9 18.809 -18.238 5.820 1.00 44.12 ATOM 144 C SER 9 17.305 -16.711 8.998 1.00 71.03 ATOM 145 O SER 9 17.445 -15.797 9.811 1.00 32.24 ATOM 146 N HIS 10 16.356 -16.711 8.067 1.00 62.54 ATOM 147 HN HIS 10 16.296 -17.473 7.441 1.00 37.06 ATOM 148 CA HIS 10 15.403 -15.614 7.945 1.00 4.34 ATOM 149 HA HIS 10 15.958 -14.714 7.710 1.00 11.42 ATOM 150 CB HIS 10 14.403 -15.900 6.825 1.00 43.12 ATOM 151 HB1 HIS 10 13.510 -15.302 6.971 1.00 37.06 ATOM 152 HB2 HIS 10 14.132 -16.946 6.847 1.00 43.42 ATOM 153 CG HIS 10 14.932 -15.594 5.457 1.00 24.34 ATOM 154 ND1 HIS 10 16.226 -15.876 5.071 1.00 53.44 ATOM 155 HD1 HIS 10 16.914 -16.293 5.628 1.00 64.13 ATOM 156 CD2 HIS 10 14.334 -15.030 4.382 1.00 1.03 ATOM 157 HD2 HIS 10 13.312 -14.684 4.326 1.00 11.45 ATOM 158 CE1 HIS 10 16.401 -15.496 3.817 1.00 14.24 ATOM 159 HE1 HIS 10 17.315 -15.592 3.249 1.00 32.24 ATOM 160 NE2 HIS 10 15.268 -14.980 3.376 1.00 15.14 ATOM 161 HE2 HIS 10 15.148 -14.538 2.510 1.00 37.06 ATOM 162 C HIS 10 14.662 -15.390 9.260 1.00 21.10 ATOM 163 O HIS 10 14.672 -14.289 9.809 1.00 13.13 ATOM 164 N MET 11 14.020 -16.442 9.758 1.00 2.21 ATOM 165 HN MET 11 14.041 -17.300 9.272 1.00 37.06 ATOM 166 CA MET 11 13.274 -16.359 11.009 1.00 62.55 ATOM 167 HA MET 11 13.609 -15.488 11.562 1.00 23.23 ATOM 168 CB MET 11 11.779 -16.200 10.726 1.00 42.23 ATOM 169 HB1 MET 11 11.627 -15.226 10.279 1.00 37.06 ATOM 170 HB2 MET 11 11.229 -16.245 11.658 1.00 30.23 ATOM 171 CG MET 11 11.222 -17.257 9.786 1.00 43.44 ATOM 172 HG1 MET 11 11.131 -18.187 10.322 1.00 37.06 ATOM 173 HG2 MET 11 11.888 -17.390 8.947 1.00 22.42 ATOM 174 SD MET 11 9.595 -16.824 9.141 1.00 72.41 ATOM 175 CE MET 11 10.035 -15.620 7.890 1.00 30.13 ATOM 176 HE1 MET 11 9.139 -15.261 7.405 1.00 32.02 ATOM 177 HE2 MET 11 10.681 -16.081 7.158 1.00 12.23 ATOM 178 HE3 MET 11 10.550 -14.791 8.353 1.00 52.35 ATOM 179 C MET 11 13.512 -17.598 11.866 1.00 70.40 ATOM 180 O MET 11 13.044 -18.689 11.541 1.00 53.41 ATOM 181 N ASN 12 14.243 -17.423 12.962 1.00 12.31 ATOM 182 HN ASN 12 14.583 -16.522 13.180 1.00 37.06 ATOM 183 CA ASN 12 14.543 -18.527 13.866 1.00 62.44 ATOM 184 HA ASN 12 14.699 -19.417 13.260 1.00 0.44 ATOM 185 CB ASN 12 15.823 -18.237 14.652 1.00 42.02 ATOM 186 HB1 ASN 12 15.595 -17.644 15.529 1.00 37.06 ATOM 187 HB2 ASN 12 16.501 -17.676 14.021 1.00 3.21 ATOM 188 CG ASN 12 16.527 -19.504 15.099 1.00 0.30 ATOM 189 OD1 ASN 12 15.884 -20.495 15.445 1.00 23.01 ATOM 190 ND2 ASN 12 17.855 -19.476 15.094 1.00 53.02 ATOM 191 HD21 ASN 12 18.316 -18.654 14.811 1.00 73.52 ATOM 192 HD22 ASN 12 18.327 -20.284 15.366 1.00 41.54 ATOM 193 C ASN 12 13.386 -18.772 14.829 1.00 32.21 ATOM 194 O ASN 12 12.978 -17.875 15.567 1.00 43.02 ATOM 195 N SER 13 12.861 -19.993 14.817 1.00 61.40 ATOM 196 HN SER 13 13.238 -20.677 14.213 1.00 37.06 ATOM 197 CA SER 13 11.749 -20.356 15.687 1.00 35.01 ATOM 198 HA SER 13 11.014 -19.562 15.647 1.00 4.22 ATOM 199 CB SER 13 11.095 -21.652 15.202 1.00 5.31 ATOM 200 HB1 SER 13 11.479 -22.498 15.752 1.00 37.06 ATOM 201 HB2 SER 13 11.305 -21.792 14.149 1.00 14.53 ATOM 202 OG SER 13 9.690 -21.610 15.374 1.00 15.33 ATOM 203 HG SER 13 9.261 -22.116 14.679 1.00 51.13 ATOM 204 C SER 13 12.218 -20.519 17.130 1.00 52.33 ATOM 205 O SER 13 11.469 -20.256 18.071 1.00 64.44 ATOM 206 N ALA 14 13.463 -20.954 17.295 1.00 53.32 ATOM 207 HN ALA 14 14.013 -21.175 16.507 1.00 37.06 ATOM 208 CA ALA 14 14.034 -21.150 18.621 1.00 13.14 ATOM 209 HA ALA 14 13.500 -21.953 19.089 1.00 75.13 ATOM 210 CB ALA 14 15.499 -21.544 18.512 1.00 3.22 ATOM 211 HB1 ALA 14 15.950 -21.580 19.493 1.00 54.52 ATOM 212 HB2 ALA 14 16.020 -20.818 17.907 1.00 14.25 ATOM 213 HB3 ALA 14 15.574 -22.516 18.048 1.00 5.24 ATOM 214 C ALA 14 13.883 -19.895 19.475 1.00 64.11 ATOM 215 O ALA 14 13.526 -19.972 20.650 1.00 74.44 ATOM 216 N GLU 15 14.160 -18.741 18.876 1.00 51.10 ATOM 217 HN GLU 15 14.461 -18.745 17.936 1.00 37.06 ATOM 218 CA GLU 15 14.056 -17.470 19.583 1.00 24.04 ATOM 219 HA GLU 15 14.784 -17.480 20.382 1.00 22.03 ATOM 220 CB GLU 15 14.343 -16.307 18.632 1.00 54.53 ATOM 221 HB1 GLU 15 13.580 -15.547 18.754 1.00 37.06 ATOM 222 HB2 GLU 15 14.303 -16.661 17.610 1.00 0.02 ATOM 223 CG GLU 15 15.704 -15.666 18.846 1.00 53.14 ATOM 224 HG1 GLU 15 16.380 -16.036 18.089 1.00 37.06 ATOM 225 HG2 GLU 15 16.088 -15.926 19.824 1.00 75.12 ATOM 226 CD GLU 15 15.658 -14.153 18.750 1.00 61.33 ATOM 227 OE1 GLU 15 14.800 -13.542 19.421 1.00 23.53 ATOM 228 OE2 GLU 15 16.479 -13.580 18.004 1.00 62.55 ATOM 229 C GLU 15 12.673 -17.304 20.205 1.00 34.50 ATOM 230 O GLU 15 12.532 -17.256 21.427 1.00 43.44 ATOM 231 N GLN 16 11.655 -17.218 19.355 1.00 72.34 ATOM 232 HN GLN 16 11.828 -17.273 18.384 1.00 37.06 ATOM 233 CA GLN 16 10.283 -17.057 19.820 1.00 15.13 ATOM 234 HA GLN 16 10.213 -16.107 20.332 1.00 54.44 ATOM 235 CB GLN 16 9.317 -17.051 18.634 1.00 35.43 ATOM 236 HB1 GLN 16 9.618 -16.274 17.947 1.00 37.06 ATOM 237 HB2 GLN 16 8.322 -16.829 18.999 1.00 74.34 ATOM 238 CG GLN 16 9.278 -18.368 17.875 1.00 43.44 ATOM 239 HG1 GLN 16 9.198 -19.196 18.560 1.00 37.06 ATOM 240 HG2 GLN 16 10.193 -18.453 17.317 1.00 35.23 ATOM 241 CD GLN 16 8.128 -18.440 16.890 1.00 42.24 ATOM 242 OE1 GLN 16 8.089 -17.697 15.908 1.00 34.13 ATOM 243 NE2 GLN 16 7.184 -19.337 17.146 1.00 31.44 ATOM 244 HE21 GLN 16 7.264 -19.906 17.944 1.00 71.23 ATOM 245 HE22 GLN 16 6.433 -19.398 16.519 1.00 52.10 ATOM 246 C GLN 16 9.904 -18.168 20.794 1.00 0.44 ATOM 247 O GLN 16 9.055 -17.981 21.667 1.00 73.24 ATOM 248 N THR 17 10.540 -19.325 20.641 1.00 74.25 ATOM 249 HN THR 17 11.182 -19.440 19.907 1.00 37.06 ATOM 250 CA THR 17 10.269 -20.467 21.505 1.00 14.31 ATOM 251 HA THR 17 9.194 -20.600 21.568 1.00 63.12 ATOM 252 CB THR 17 10.877 -21.761 20.934 1.00 63.23 ATOM 253 HB THR 17 11.939 -21.646 20.860 1.00 74.50 ATOM 254 OG1 THR 17 10.351 -22.014 19.626 1.00 24.21 ATOM 255 HG1 THR 17 10.599 -21.321 19.027 1.00 24.15 ATOM 256 CG2 THR 17 10.582 -22.945 21.842 1.00 31.03 ATOM 257 HG21 THR 17 11.153 -22.863 22.753 1.00 34.02 ATOM 258 HG22 THR 17 10.856 -23.858 21.334 1.00 42.21 ATOM 259 HG23 THR 17 9.526 -22.975 22.078 1.00 31.25 ATOM 260 C THR 17 10.818 -20.236 22.908 1.00 23.42 ATOM 261 O THR 17 10.153 -20.528 23.902 1.00 21.31 ATOM 262 N VAL 18 12.037 -19.710 22.982 1.00 32.35 ATOM 263 HN VAL 18 12.522 -19.496 22.151 1.00 37.06 ATOM 264 CA VAL 18 12.675 -19.439 24.265 1.00 44.12 ATOM 265 HA VAL 18 12.763 -20.376 24.803 1.00 63.42 ATOM 266 CB VAL 18 14.087 -18.853 24.076 1.00 42.32 ATOM 267 HB VAL 18 14.004 -17.929 23.520 1.00 45.34 ATOM 268 CG1 VAL 18 14.721 -18.541 25.423 1.00 71.10 ATOM 269 HG11 VAL 18 15.767 -18.296 25.286 1.00 11.51 ATOM 270 HG12 VAL 18 14.641 -19.398 26.076 1.00 52.45 ATOM 271 HG13 VAL 18 14.223 -17.697 25.876 1.00 63.15 ATOM 272 CG2 VAL 18 14.958 -19.810 23.276 1.00 3.31 ATOM 273 HG21 VAL 18 15.445 -19.262 22.484 1.00 3.31 ATOM 274 HG22 VAL 18 14.365 -20.597 22.845 1.00 51.22 ATOM 275 HG23 VAL 18 15.713 -20.254 23.908 1.00 15.23 ATOM 276 C VAL 18 11.843 -18.472 25.100 1.00 62.15 ATOM 277 O VAL 18 11.478 -18.771 26.237 1.00 74.31 ATOM 278 N THR 19 11.545 -17.310 24.527 1.00 5.42 ATOM 279 HN THR 19 11.863 -17.128 23.610 1.00 37.06 ATOM 280 CA THR 19 10.757 -16.297 25.218 1.00 34.41 ATOM 281 HA THR 19 11.271 -16.034 26.132 1.00 51.11 ATOM 282 CB THR 19 10.609 -15.022 24.367 1.00 61.34 ATOM 283 HB THR 19 10.107 -15.276 23.443 1.00 24.31 ATOM 284 OG1 THR 19 11.901 -14.486 24.060 1.00 12.32 ATOM 285 HG1 THR 19 12.282 -14.966 23.320 1.00 54.23 ATOM 286 CG2 THR 19 9.780 -13.977 25.097 1.00 2.32 ATOM 287 HG21 THR 19 10.120 -13.880 26.120 1.00 22.11 ATOM 288 HG22 THR 19 8.738 -14.262 25.087 1.00 51.44 ATOM 289 HG23 THR 19 9.891 -13.026 24.597 1.00 11.42 ATOM 290 C THR 19 9.370 -16.825 25.567 1.00 13.02 ATOM 291 O THR 19 8.801 -16.467 26.598 1.00 14.42 ATOM 292 N TRP 20 8.832 -17.678 24.703 1.00 53.21 ATOM 293 HN TRP 20 9.323 -17.917 23.883 1.00 37.06 ATOM 294 CA TRP 20 7.510 -18.255 24.921 1.00 23.43 ATOM 295 HA TRP 20 6.792 -17.449 24.941 1.00 11.23 ATOM 296 CB TRP 20 7.149 -19.201 23.775 1.00 54.24 ATOM 297 HB1 TRP 20 7.930 -19.929 23.654 1.00 37.06 ATOM 298 HB2 TRP 20 7.052 -18.629 22.866 1.00 2.11 ATOM 299 CG TRP 20 5.857 -19.930 23.991 1.00 41.12 ATOM 300 CD1 TRP 20 4.672 -19.392 24.405 1.00 72.42 ATOM 301 HD1 TRP 20 4.524 -18.346 24.631 1.00 44.45 ATOM 302 CD2 TRP 20 5.622 -21.330 23.806 1.00 61.11 ATOM 303 NE1 TRP 20 3.714 -20.374 24.488 1.00 21.24 ATOM 304 HE1 TRP 20 2.783 -20.238 24.762 1.00 35.10 ATOM 305 CE2 TRP 20 4.272 -21.572 24.125 1.00 14.43 ATOM 306 CE3 TRP 20 6.420 -22.403 23.400 1.00 42.24 ATOM 307 HE3 TRP 20 7.460 -22.260 23.146 1.00 63.32 ATOM 308 CZ2 TRP 20 3.705 -22.841 24.052 1.00 61.34 ATOM 309 HZ2 TRP 20 2.669 -23.019 24.298 1.00 5.13 ATOM 310 CZ3 TRP 20 5.857 -23.662 23.327 1.00 34.43 ATOM 311 HZ3 TRP 20 6.458 -24.502 23.016 1.00 42.33 ATOM 312 CH2 TRP 20 4.510 -23.873 23.651 1.00 33.21 ATOM 313 HH2 TRP 20 4.122 -24.860 23.577 1.00 11.35 ATOM 314 C TRP 20 7.456 -19.003 26.249 1.00 14.31 ATOM 315 O TRP 20 6.499 -18.864 27.012 1.00 13.52 ATOM 316 N LEU 21 8.487 -19.795 26.520 1.00 73.10 ATOM 317 HN LEU 21 9.225 -19.870 25.869 1.00 37.06 ATOM 318 CA LEU 21 8.556 -20.565 27.757 1.00 11.23 ATOM 319 HA LEU 21 7.632 -21.115 27.868 1.00 4.44 ATOM 320 CB LEU 21 9.718 -21.558 27.699 1.00 11.21 ATOM 321 HB1 LEU 21 9.749 -22.100 28.636 1.00 37.06 ATOM 322 HB2 LEU 21 10.636 -20.990 27.605 1.00 23.33 ATOM 323 CG LEU 21 9.671 -22.580 26.563 1.00 41.12 ATOM 324 HG LEU 21 9.587 -22.061 25.625 1.00 45.02 ATOM 325 CD1 LEU 21 10.950 -23.403 26.532 1.00 53.32 ATOM 326 HD11 LEU 21 11.800 -22.747 26.399 1.00 3.44 ATOM 327 HD12 LEU 21 10.911 -24.104 25.709 1.00 54.41 ATOM 328 HD13 LEU 21 11.058 -23.946 27.461 1.00 70.32 ATOM 329 CD2 LEU 21 8.456 -23.484 26.709 1.00 60.43 ATOM 330 HD21 LEU 21 8.494 -23.996 27.661 1.00 71.43 ATOM 331 HD22 LEU 21 8.448 -24.214 25.910 1.00 61.31 ATOM 332 HD23 LEU 21 7.554 -22.894 26.654 1.00 2.21 ATOM 333 C LEU 21 8.718 -19.644 28.963 1.00 65.43 ATOM 334 O LEU 21 8.205 -19.927 30.046 1.00 61.34 ATOM 335 N ILE 22 9.434 -18.542 28.767 1.00 54.15 ATOM 336 HN ILE 22 9.815 -18.360 27.878 1.00 37.06 ATOM 337 CA ILE 22 9.660 -17.579 29.837 1.00 45.54 ATOM 338 HA ILE 22 9.981 -18.115 30.715 1.00 41.23 ATOM 339 CB ILE 22 10.756 -16.564 29.458 1.00 30.32 ATOM 340 HB ILE 22 10.412 -15.996 28.603 1.00 53.34 ATOM 341 CG1 ILE 22 12.050 -17.293 29.088 1.00 53.53 ATOM 342 HG11 ILE 22 11.843 -18.106 28.419 1.00 37.06 ATOM 343 HG12 ILE 22 12.507 -17.693 29.983 1.00 54.45 ATOM 344 CG2 ILE 22 10.998 -15.594 30.604 1.00 12.44 ATOM 345 HG21 ILE 22 11.354 -16.133 31.470 1.00 33.33 ATOM 346 HG22 ILE 22 10.086 -15.074 30.856 1.00 4.30 ATOM 347 HG23 ILE 22 11.731 -14.866 30.312 1.00 22.41 ATOM 348 CD1 ILE 22 13.071 -16.404 28.414 1.00 45.13 ATOM 349 HD11 ILE 22 12.985 -16.520 27.345 1.00 51.22 ATOM 350 HD12 ILE 22 14.059 -16.701 28.716 1.00 71.11 ATOM 351 HD13 ILE 22 12.915 -15.368 28.667 1.00 61.11 ATOM 352 C ILE 22 8.380 -16.823 30.177 1.00 21.51 ATOM 353 O ILE 22 7.987 -16.737 31.341 1.00 21.31 ATOM 354 N THR 23 7.731 -16.278 29.153 1.00 32.21 ATOM 355 HN THR 23 8.099 -16.374 28.245 1.00 37.06 ATOM 356 CA THR 23 6.494 -15.531 29.343 1.00 41.12 ATOM 357 HA THR 23 6.695 -14.708 30.017 1.00 62.54 ATOM 358 CB THR 23 5.982 -14.945 28.013 1.00 2.04 ATOM 359 HB THR 23 6.768 -14.347 27.574 1.00 41.31 ATOM 360 OG1 THR 23 4.840 -14.114 28.252 1.00 64.24 ATOM 361 HG1 THR 23 5.128 -13.249 28.554 1.00 50.33 ATOM 362 CG2 THR 23 5.614 -16.054 27.039 1.00 5.12 ATOM 363 HG21 THR 23 4.813 -16.658 27.434 1.00 2.32 ATOM 364 HG22 THR 23 6.467 -16.653 26.868 1.00 4.22 ATOM 365 HG23 THR 23 5.298 -15.614 26.105 1.00 1.43 ATOM 366 C THR 23 5.407 -16.411 29.949 1.00 22.20 ATOM 367 O THR 23 4.506 -15.922 30.631 1.00 1.43 ATOM 368 N LEU 24 5.497 -17.712 29.697 1.00 65.40 ATOM 369 HN LEU 24 6.219 -18.051 29.121 1.00 37.06 ATOM 370 CA LEU 24 4.521 -18.662 30.219 1.00 22.32 ATOM 371 HA LEU 24 3.528 -18.271 30.026 1.00 31.42 ATOM 372 CB LEU 24 4.670 -20.014 29.518 1.00 54.31 ATOM 373 HB1 LEU 24 4.347 -20.800 30.195 1.00 37.06 ATOM 374 HB2 LEU 24 5.726 -20.167 29.323 1.00 73.15 ATOM 375 CG LEU 24 3.904 -20.176 28.204 1.00 3.40 ATOM 376 HG LEU 24 3.948 -19.250 27.646 1.00 63.03 ATOM 377 CD1 LEU 24 4.538 -21.261 27.348 1.00 74.23 ATOM 378 HD11 LEU 24 3.778 -21.824 26.821 1.00 12.40 ATOM 379 HD12 LEU 24 5.111 -21.927 27.970 1.00 74.41 ATOM 380 HD13 LEU 24 5.197 -20.809 26.631 1.00 55.32 ATOM 381 CD2 LEU 24 2.441 -20.493 28.475 1.00 70.22 ATOM 382 HD21 LEU 24 1.909 -20.581 27.538 1.00 50.31 ATOM 383 HD22 LEU 24 2.000 -19.697 29.060 1.00 32.20 ATOM 384 HD23 LEU 24 2.364 -21.424 29.020 1.00 73.13 ATOM 385 C LEU 24 4.684 -18.838 31.726 1.00 40.24 ATOM 386 O LEU 24 3.735 -19.187 32.426 1.00 10.34 ATOM 387 N GLY 25 5.894 -18.591 32.218 1.00 64.12 ATOM 388 HN GLY 25 6.632 -18.340 31.627 1.00 37.06 ATOM 389 CA GLY 25 6.159 -18.725 33.638 1.00 30.14 ATOM 390 HA1 GLY 25 5.291 -18.414 34.207 1.00 37.06 ATOM 391 HA2 GLY 25 6.986 -18.078 33.894 1.00 44.43 ATOM 392 C GLY 25 6.520 -20.144 34.030 1.00 72.55 ATOM 393 O GLY 25 6.131 -20.620 35.096 1.00 21.24 ATOM 394 N VAL 26 7.265 -20.824 33.163 1.00 35.33 ATOM 395 HN VAL 26 7.558 -20.388 32.336 1.00 37.06 ATOM 396 CA VAL 26 7.677 -22.198 33.423 1.00 25.23 ATOM 397 HA VAL 26 7.348 -22.495 34.414 1.00 24.23 ATOM 398 CB VAL 26 7.062 -23.172 32.401 1.00 21.21 ATOM 399 HB VAL 26 7.555 -24.133 32.486 1.00 33.43 ATOM 400 CG1 VAL 26 5.584 -23.387 32.690 1.00 2.42 ATOM 401 HG11 VAL 26 5.058 -22.446 32.615 1.00 3.33 ATOM 402 HG12 VAL 26 5.465 -23.785 33.688 1.00 64.11 ATOM 403 HG13 VAL 26 5.173 -24.086 31.978 1.00 44.25 ATOM 404 CG2 VAL 26 7.267 -22.657 30.985 1.00 64.14 ATOM 405 HG21 VAL 26 6.851 -23.370 30.286 1.00 23.12 ATOM 406 HG22 VAL 26 8.315 -22.545 30.776 1.00 71.32 ATOM 407 HG23 VAL 26 6.764 -21.711 30.858 1.00 74.52 ATOM 408 C VAL 26 9.196 -22.332 33.386 1.00 33.13 ATOM 409 O VAL 26 9.783 -23.078 34.170 1.00 25.35 ATOM 410 N LEU 27 9.826 -21.604 32.471 1.00 71.30 ATOM 411 HN LEU 27 9.325 -21.028 31.859 1.00 37.06 ATOM 412 CA LEU 27 11.278 -21.641 32.331 1.00 14.33 ATOM 413 HA LEU 27 11.689 -22.318 33.072 1.00 41.41 ATOM 414 CB LEU 27 11.664 -22.167 30.948 1.00 75.31 ATOM 415 HB1 LEU 27 11.091 -21.611 30.220 1.00 37.06 ATOM 416 HB2 LEU 27 11.379 -23.187 30.889 1.00 70.55 ATOM 417 CG LEU 27 13.142 -22.053 30.575 1.00 60.41 ATOM 418 HG LEU 27 13.479 -21.039 30.718 1.00 64.13 ATOM 419 CD1 LEU 27 13.987 -22.956 31.461 1.00 41.34 ATOM 420 HD11 LEU 27 13.732 -23.986 31.278 1.00 74.42 ATOM 421 HD12 LEU 27 13.810 -22.721 32.502 1.00 73.53 ATOM 422 HD13 LEU 27 15.033 -22.802 31.236 1.00 21.14 ATOM 423 CD2 LEU 27 13.350 -22.398 29.107 1.00 12.42 ATOM 424 HD21 LEU 27 14.396 -22.290 28.853 1.00 15.55 ATOM 425 HD22 LEU 27 12.765 -21.729 28.491 1.00 71.25 ATOM 426 HD23 LEU 27 13.040 -23.418 28.924 1.00 13.25 ATOM 427 C LEU 27 11.880 -20.256 32.547 1.00 22.23 ATOM 428 O LEU 27 11.625 -19.331 31.777 1.00 32.21 ATOM 429 N GLU 28 12.683 -20.123 33.599 1.00 73.12 ATOM 430 HN GLU 28 12.847 -20.901 34.185 1.00 37.06 ATOM 431 CA GLU 28 13.323 -18.851 33.914 1.00 34.43 ATOM 432 HA GLU 28 12.549 -18.157 34.212 1.00 42.04 ATOM 433 CB GLU 28 14.305 -19.024 35.074 1.00 3.44 ATOM 434 HB1 GLU 28 13.811 -19.568 35.868 1.00 37.06 ATOM 435 HB2 GLU 28 14.585 -18.046 35.440 1.00 72.22 ATOM 436 CG GLU 28 15.572 -19.772 34.693 1.00 11.53 ATOM 437 HG1 GLU 28 16.115 -19.201 33.955 1.00 37.06 ATOM 438 HG2 GLU 28 15.301 -20.730 34.275 1.00 72.03 ATOM 439 CD GLU 28 16.492 -20.002 35.876 1.00 10.55 ATOM 440 OE1 GLU 28 16.796 -21.176 36.173 1.00 11.30 ATOM 441 OE2 GLU 28 16.908 -19.006 36.506 1.00 63.23 ATOM 442 C GLU 28 14.051 -18.291 32.696 1.00 75.54 ATOM 443 O GLU 28 14.452 -19.037 31.802 1.00 32.12 ATOM 444 N SER 29 14.216 -16.973 32.667 1.00 44.02 ATOM 445 HN SER 29 13.890 -16.428 33.423 1.00 37.06 ATOM 446 CA SER 29 14.892 -16.312 31.556 1.00 13.45 ATOM 447 HA SER 29 14.682 -16.875 30.661 1.00 2.32 ATOM 448 CB SER 29 14.354 -14.890 31.379 1.00 60.44 ATOM 449 HB1 SER 29 13.786 -14.592 32.250 1.00 37.06 ATOM 450 HB2 SER 29 13.726 -14.853 30.517 1.00 5.02 ATOM 451 OG SER 29 15.411 -13.965 31.194 1.00 11.42 ATOM 452 HG SER 29 15.061 -13.071 31.211 1.00 53.44 ATOM 453 C SER 29 16.400 -16.272 31.784 1.00 72.23 ATOM 454 O SER 29 16.888 -16.404 32.906 1.00 30.03 ATOM 455 N PRO 30 17.157 -16.086 30.692 1.00 21.34 ATOM 456 CA PRO 30 18.621 -16.024 30.746 1.00 72.54 ATOM 457 HA PRO 30 19.037 -16.889 31.243 1.00 74.23 ATOM 458 CB PRO 30 19.030 -16.034 29.271 1.00 40.24 ATOM 459 HB1 PRO 30 19.222 -17.050 28.970 1.00 37.06 ATOM 460 HB2 PRO 30 19.916 -15.437 29.099 1.00 74.22 ATOM 461 CG PRO 30 17.852 -15.478 28.547 1.00 4.32 ATOM 462 HG1 PRO 30 17.808 -15.858 27.546 1.00 37.06 ATOM 463 HG2 PRO 30 17.908 -14.400 28.533 1.00 33.10 ATOM 464 CD PRO 30 16.643 -15.922 29.322 1.00 12.54 ATOM 465 HD1 PRO 30 16.275 -16.861 28.935 1.00 37.06 ATOM 466 HD2 PRO 30 15.881 -15.170 29.262 1.00 74.33 ATOM 467 C PRO 30 19.123 -14.758 31.430 1.00 50.32 ATOM 468 O PRO 30 18.342 -13.995 31.999 1.00 34.41 ATOM 469 N LYS 31 20.432 -14.538 31.370 1.00 1.13 ATOM 470 HN LYS 31 21.018 -15.200 30.935 1.00 37.06 ATOM 471 CA LYS 31 21.040 -13.362 31.982 1.00 34.34 ATOM 472 HA LYS 31 20.304 -12.847 32.578 1.00 54.14 ATOM 473 CB LYS 31 22.214 -13.775 32.873 1.00 13.11 ATOM 474 HB1 LYS 31 22.770 -12.894 33.171 1.00 37.06 ATOM 475 HB2 LYS 31 22.865 -14.424 32.309 1.00 53.42 ATOM 476 CG LYS 31 21.792 -14.512 34.132 1.00 22.23 ATOM 477 HG1 LYS 31 22.678 -14.757 34.702 1.00 37.06 ATOM 478 HG2 LYS 31 21.281 -15.420 33.849 1.00 3.15 ATOM 479 CD LYS 31 20.862 -13.668 34.988 1.00 65.11 ATOM 480 HD1 LYS 31 19.932 -13.518 34.463 1.00 37.06 ATOM 481 HD2 LYS 31 21.325 -12.712 35.187 1.00 42.51 ATOM 482 CE LYS 31 20.557 -14.346 36.315 1.00 44.21 ATOM 483 HE1 LYS 31 19.786 -13.785 36.823 1.00 37.06 ATOM 484 HE2 LYS 31 21.453 -14.351 36.917 1.00 62.43 ATOM 485 NZ LYS 31 20.093 -15.748 36.128 1.00 65.43 ATOM 486 HZ1 LYS 31 19.700 -16.109 37.021 1.00 70.32 ATOM 487 HZ2 LYS 31 20.886 -16.359 35.848 1.00 31.31 ATOM 488 HZ3 LYS 31 19.352 -15.798 35.395 1.00 45.22 ATOM 489 C LYS 31 21.516 -12.379 30.918 1.00 63.52 ATOM 490 O LYS 31 21.633 -11.181 31.172 1.00 1.44 ATOM 491 N LYS 32 21.789 -12.894 29.724 1.00 62.34 ATOM 492 HN LYS 32 21.718 -13.859 29.570 1.00 37.06 ATOM 493 CA LYS 32 22.251 -12.062 28.619 1.00 75.44 ATOM 494 HA LYS 32 22.031 -11.024 28.836 1.00 5.35 ATOM 495 CB LYS 32 23.763 -12.212 28.437 1.00 33.02 ATOM 496 HB1 LYS 32 24.115 -11.395 27.825 1.00 37.06 ATOM 497 HB2 LYS 32 23.974 -13.142 27.921 1.00 22.15 ATOM 498 CG LYS 32 24.539 -12.174 29.742 1.00 34.24 ATOM 499 HG1 LYS 32 23.950 -11.745 30.533 1.00 37.06 ATOM 500 HG2 LYS 32 25.409 -11.549 29.584 1.00 50.02 ATOM 501 CD LYS 32 25.007 -13.560 30.153 1.00 64.02 ATOM 502 HD1 LYS 32 25.353 -14.104 29.281 1.00 37.06 ATOM 503 HD2 LYS 32 24.180 -14.088 30.598 1.00 71.35 ATOM 504 CE LYS 32 26.142 -13.488 31.163 1.00 21.11 ATOM 505 HE1 LYS 32 26.126 -14.390 31.757 1.00 37.06 ATOM 506 HE2 LYS 32 26.002 -12.634 31.814 1.00 53.23 ATOM 507 NZ LYS 32 27.470 -13.380 30.499 1.00 64.55 ATOM 508 HZ1 LYS 32 27.513 -12.520 29.913 1.00 53.15 ATOM 509 HZ2 LYS 32 27.640 -14.209 29.892 1.00 62.44 ATOM 510 HZ3 LYS 32 28.222 -13.333 31.216 1.00 75.33 ATOM 511 C LYS 32 21.534 -12.431 27.324 1.00 75.23 ATOM 512 O LYS 32 20.561 -13.187 27.333 1.00 23.12 ATOM 513 N THR 33 22.020 -11.894 26.209 1.00 2.12 ATOM 514 HN THR 33 22.781 -11.273 26.253 1.00 37.06 ATOM 515 CA THR 33 21.426 -12.167 24.907 1.00 43.24 ATOM 516 HA THR 33 20.351 -12.035 25.000 1.00 44.21 ATOM 517 CB THR 33 21.937 -11.181 23.839 1.00 70.12 ATOM 518 HB THR 33 22.963 -11.427 23.591 1.00 55.22 ATOM 519 OG1 THR 33 21.898 -9.843 24.348 1.00 20.42 ATOM 520 HG1 THR 33 22.537 -9.299 23.879 1.00 65.32 ATOM 521 CG2 THR 33 21.098 -11.272 22.573 1.00 11.21 ATOM 522 HG21 THR 33 21.196 -12.256 22.140 1.00 63.14 ATOM 523 HG22 THR 33 21.442 -10.534 21.864 1.00 25.43 ATOM 524 HG23 THR 33 20.060 -11.084 22.809 1.00 42.23 ATOM 525 C THR 33 21.727 -13.591 24.453 1.00 52.33 ATOM 526 O THR 33 22.888 -13.976 24.316 1.00 62.22 ATOM 527 N ILE 34 20.674 -14.367 24.220 1.00 31.23 ATOM 528 HN ILE 34 19.767 -13.997 24.333 1.00 37.06 ATOM 529 CA ILE 34 20.826 -15.748 23.780 1.00 63.22 ATOM 530 HA ILE 34 21.450 -16.265 24.501 1.00 52.31 ATOM 531 CB ILE 34 19.467 -16.469 23.706 1.00 2.11 ATOM 532 HB ILE 34 18.831 -15.928 23.020 1.00 13.33 ATOM 533 CG1 ILE 34 18.803 -16.494 25.084 1.00 1.34 ATOM 534 HG11 ILE 34 17.832 -16.963 25.001 1.00 37.06 ATOM 535 HG12 ILE 34 18.674 -15.484 25.443 1.00 4.23 ATOM 536 CG2 ILE 34 19.645 -17.882 23.172 1.00 24.45 ATOM 537 HG21 ILE 34 20.517 -18.348 23.613 1.00 71.44 ATOM 538 HG22 ILE 34 19.762 -17.837 22.109 1.00 32.44 ATOM 539 HG23 ILE 34 18.769 -18.473 23.403 1.00 71.01 ATOM 540 CD1 ILE 34 19.595 -17.256 26.123 1.00 23.31 ATOM 541 HD11 ILE 34 18.941 -17.523 26.935 1.00 40.24 ATOM 542 HD12 ILE 34 20.390 -16.630 26.497 1.00 62.15 ATOM 543 HD13 ILE 34 20.017 -18.157 25.706 1.00 15.34 ATOM 544 C ILE 34 21.501 -15.818 22.414 1.00 30.41 ATOM 545 O ILE 34 20.839 -15.744 21.379 1.00 42.12 ATOM 546 N SER 35 22.822 -15.964 22.420 1.00 42.14 ATOM 547 HN SER 35 23.296 -16.032 23.284 1.00 37.06 ATOM 548 CA SER 35 23.588 -16.042 21.181 1.00 73.51 ATOM 549 HA SER 35 23.232 -15.271 20.508 1.00 54.21 ATOM 550 CB SER 35 25.073 -15.800 21.458 1.00 55.30 ATOM 551 HB1 SER 35 25.668 -16.138 20.617 1.00 37.06 ATOM 552 HB2 SER 35 25.368 -16.343 22.344 1.00 20.22 ATOM 553 OG SER 35 25.334 -14.422 21.664 1.00 64.34 ATOM 554 HG SER 35 25.391 -13.973 20.816 1.00 60.04 ATOM 555 C SER 35 23.399 -17.400 20.511 1.00 70.11 ATOM 556 O SER 35 23.735 -17.579 19.340 1.00 54.21 ATOM 557 N ASP 36 22.860 -18.354 21.262 1.00 12.44 ATOM 558 HN ASP 36 22.660 -18.191 22.208 1.00 37.06 ATOM 559 CA ASP 36 22.625 -19.696 20.742 1.00 13.35 ATOM 560 HA ASP 36 22.599 -19.658 19.661 1.00 12.34 ATOM 561 CB ASP 36 23.765 -20.630 21.149 1.00 64.12 ATOM 562 HB1 ASP 36 23.796 -20.711 22.227 1.00 37.06 ATOM 563 HB2 ASP 36 24.699 -20.217 20.799 1.00 54.25 ATOM 564 CG ASP 36 23.611 -22.021 20.565 1.00 53.53 ATOM 565 OD1 ASP 36 22.986 -22.146 19.491 1.00 34.42 ATOM 566 OD2 ASP 36 24.114 -22.983 21.182 1.00 70.04 ATOM 567 C ASP 36 21.295 -20.248 21.245 1.00 14.13 ATOM 568 O ASP 36 21.243 -21.090 22.142 1.00 1.54 ATOM 569 N PRO 37 20.192 -19.764 20.655 1.00 15.45 ATOM 570 CA PRO 37 18.841 -20.194 21.028 1.00 73.32 ATOM 571 HA PRO 37 18.666 -20.104 22.084 1.00 12.34 ATOM 572 CB PRO 37 17.936 -19.223 20.266 1.00 50.22 ATOM 573 HB1 PRO 37 17.691 -18.389 20.906 1.00 37.06 ATOM 574 HB2 PRO 37 17.024 -19.712 19.948 1.00 64.12 ATOM 575 CG PRO 37 18.753 -18.779 19.102 1.00 55.34 ATOM 576 HG1 PRO 37 18.447 -17.790 18.795 1.00 37.06 ATOM 577 HG2 PRO 37 18.640 -19.478 18.286 1.00 11.03 ATOM 578 CD PRO 37 20.178 -18.759 19.579 1.00 2.43 ATOM 579 HD1 PRO 37 20.436 -17.781 19.959 1.00 37.06 ATOM 580 HD2 PRO 37 20.837 -19.039 18.772 1.00 31.23 ATOM 581 C PRO 37 18.554 -21.631 20.606 1.00 33.44 ATOM 582 O PRO 37 17.818 -22.350 21.282 1.00 25.32 ATOM 583 N GLU 38 19.139 -22.043 19.486 1.00 1.01 ATOM 584 HN GLU 38 19.709 -21.422 18.976 1.00 37.06 ATOM 585 CA GLU 38 18.945 -23.395 18.976 1.00 73.04 ATOM 586 HA GLU 38 17.882 -23.564 18.871 1.00 44.02 ATOM 587 CB GLU 38 19.614 -23.549 17.608 1.00 1.13 ATOM 588 HB1 GLU 38 19.658 -24.603 17.353 1.00 37.06 ATOM 589 HB2 GLU 38 20.621 -23.161 17.666 1.00 10.32 ATOM 590 CG GLU 38 18.888 -22.820 16.490 1.00 63.42 ATOM 591 HG1 GLU 38 19.055 -21.763 16.612 1.00 37.06 ATOM 592 HG2 GLU 38 17.829 -23.029 16.557 1.00 32.14 ATOM 593 CD GLU 38 19.373 -23.234 15.114 1.00 51.43 ATOM 594 OE1 GLU 38 18.727 -24.104 14.493 1.00 2.22 ATOM 595 OE2 GLU 38 20.398 -22.686 14.657 1.00 4.14 ATOM 596 C GLU 38 19.505 -24.429 19.948 1.00 71.33 ATOM 597 O GLU 38 18.919 -25.493 20.145 1.00 1.01 ATOM 598 N GLY 39 20.645 -24.108 20.552 1.00 31.44 ATOM 599 HN GLY 39 21.091 -23.255 20.354 1.00 37.06 ATOM 600 CA GLY 39 21.266 -25.019 21.496 1.00 62.42 ATOM 601 HA1 GLY 39 22.331 -24.837 21.495 1.00 37.06 ATOM 602 HA2 GLY 39 21.093 -26.045 21.191 1.00 55.12 ATOM 603 C GLY 39 20.749 -24.833 22.908 1.00 4.55 ATOM 604 O GLY 39 20.636 -25.795 23.668 1.00 14.21 ATOM 605 N PHE 40 20.437 -23.590 23.263 1.00 30.51 ATOM 606 HN PHE 40 20.561 -22.853 22.620 1.00 37.06 ATOM 607 CA PHE 40 19.932 -23.280 24.595 1.00 10.04 ATOM 608 HA PHE 40 20.669 -23.602 25.318 1.00 53.13 ATOM 609 CB PHE 40 19.721 -21.772 24.745 1.00 4.14 ATOM 610 HB1 PHE 40 19.131 -21.418 23.909 1.00 37.06 ATOM 611 HB2 PHE 40 20.686 -21.281 24.721 1.00 64.43 ATOM 612 CG PHE 40 19.024 -21.388 26.019 1.00 1.21 ATOM 613 CD1 PHE 40 19.744 -21.192 27.187 1.00 41.13 ATOM 614 HD1 PHE 40 20.818 -21.317 27.180 1.00 52.15 ATOM 615 CD2 PHE 40 17.649 -21.222 26.049 1.00 51.12 ATOM 616 HD2 PHE 40 17.075 -21.374 25.148 1.00 62.24 ATOM 617 CE1 PHE 40 19.105 -20.839 28.360 1.00 32.21 ATOM 618 HE1 PHE 40 19.678 -20.690 29.263 1.00 2.13 ATOM 619 CE2 PHE 40 17.004 -20.869 27.219 1.00 0.23 ATOM 620 HE2 PHE 40 15.932 -20.744 27.229 1.00 34.31 ATOM 621 CZ PHE 40 17.733 -20.676 28.376 1.00 23.32 ATOM 622 HZ PHE 40 17.231 -20.400 29.292 1.00 75.12 ATOM 623 C PHE 40 18.624 -24.017 24.867 1.00 73.04 ATOM 624 O PHE 40 18.359 -24.441 25.992 1.00 34.42 ATOM 625 N LEU 41 17.809 -24.165 23.828 1.00 60.21 ATOM 626 HN LEU 41 18.066 -23.797 22.951 1.00 37.06 ATOM 627 CA LEU 41 16.527 -24.850 23.953 1.00 62.44 ATOM 628 HA LEU 41 16.020 -24.464 24.828 1.00 35.21 ATOM 629 CB LEU 41 15.665 -24.590 22.716 1.00 62.51 ATOM 630 HB1 LEU 41 14.993 -25.429 22.565 1.00 37.06 ATOM 631 HB2 LEU 41 16.330 -24.543 21.864 1.00 10.24 ATOM 632 CG LEU 41 14.827 -23.311 22.739 1.00 65.55 ATOM 633 HG LEU 41 15.446 -22.491 23.068 1.00 52.23 ATOM 634 CD1 LEU 41 14.317 -22.983 21.344 1.00 34.32 ATOM 635 HD11 LEU 41 13.956 -21.984 21.328 1.00 22.21 ATOM 636 HD12 LEU 41 13.517 -23.660 21.073 1.00 74.10 ATOM 637 HD13 LEU 41 15.119 -23.088 20.636 1.00 21.13 ATOM 638 CD2 LEU 41 13.668 -23.451 23.714 1.00 1.53 ATOM 639 HD21 LEU 41 14.046 -23.651 24.706 1.00 11.44 ATOM 640 HD22 LEU 41 13.026 -24.264 23.405 1.00 42.50 ATOM 641 HD23 LEU 41 13.098 -22.532 23.732 1.00 12.34 ATOM 642 C LEU 41 16.728 -26.351 24.140 1.00 11.23 ATOM 643 O LEU 41 16.197 -26.944 25.079 1.00 61.43 ATOM 644 N GLN 42 17.499 -26.956 23.243 1.00 73.42 ATOM 645 HN GLN 42 17.895 -26.425 22.510 1.00 37.06 ATOM 646 CA GLN 42 17.770 -28.387 23.311 1.00 24.42 ATOM 647 HA GLN 42 16.844 -28.910 23.117 1.00 12.31 ATOM 648 CB GLN 42 18.797 -28.784 22.249 1.00 71.41 ATOM 649 HB1 GLN 42 19.732 -28.275 22.449 1.00 37.06 ATOM 650 HB2 GLN 42 18.428 -28.461 21.285 1.00 41.52 ATOM 651 CG GLN 42 19.047 -30.282 22.174 1.00 55.03 ATOM 652 HG1 GLN 42 19.251 -30.537 21.144 1.00 37.06 ATOM 653 HG2 GLN 42 18.162 -30.817 22.496 1.00 24.04 ATOM 654 CD GLN 42 20.232 -30.719 23.012 1.00 52.21 ATOM 655 OE1 GLN 42 21.377 -30.376 22.715 1.00 33.20 ATOM 656 NE2 GLN 42 19.963 -31.480 24.067 1.00 42.44 ATOM 657 HE21 GLN 42 19.030 -31.724 24.259 1.00 22.11 ATOM 658 HE22 GLN 42 20.717 -31.772 24.621 1.00 3.12 ATOM 659 C GLN 42 18.276 -28.780 24.696 1.00 41.15 ATOM 660 O GLN 42 17.926 -29.838 25.218 1.00 41.32 ATOM 661 N ALA 43 19.102 -27.921 25.284 1.00 15.42 ATOM 662 HN ALA 43 19.358 -27.092 24.815 1.00 37.06 ATOM 663 CA ALA 43 19.654 -28.177 26.608 1.00 11.14 ATOM 664 HA ALA 43 20.062 -29.181 26.621 1.00 53.33 ATOM 665 CB ALA 43 20.791 -27.210 26.902 1.00 0.43 ATOM 666 HB1 ALA 43 21.543 -27.298 26.132 1.00 61.33 ATOM 667 HB2 ALA 43 21.231 -27.446 27.861 1.00 14.43 ATOM 668 HB3 ALA 43 20.413 -26.197 26.918 1.00 42.11 ATOM 669 C ALA 43 18.577 -28.072 27.682 1.00 14.25 ATOM 670 O ALA 43 18.466 -28.937 28.551 1.00 1.12 ATOM 671 N SER 44 17.785 -27.006 27.617 1.00 34.24 ATOM 672 HN SER 44 17.922 -26.345 26.897 1.00 37.06 ATOM 673 CA SER 44 16.718 -26.786 28.588 1.00 45.15 ATOM 674 HA SER 44 17.149 -26.828 29.580 1.00 61.54 ATOM 675 CB SER 44 16.091 -25.406 28.382 1.00 15.02 ATOM 676 HB1 SER 44 15.057 -25.412 28.708 1.00 37.06 ATOM 677 HB2 SER 44 16.128 -25.140 27.335 1.00 35.31 ATOM 678 OG SER 44 16.781 -24.416 29.124 1.00 4.21 ATOM 679 HG SER 44 16.496 -24.441 30.041 1.00 10.03 ATOM 680 C SER 44 15.648 -27.867 28.473 1.00 53.41 ATOM 681 O SER 44 14.943 -28.164 29.438 1.00 0.14 ATOM 682 N LEU 45 15.531 -28.451 27.286 1.00 61.13 ATOM 683 HN LEU 45 16.105 -28.169 26.538 1.00 37.06 ATOM 684 CA LEU 45 14.546 -29.500 27.043 1.00 45.34 ATOM 685 HA LEU 45 13.672 -29.306 27.653 1.00 33.51 ATOM 686 CB LEU 45 14.120 -29.495 25.574 1.00 73.23 ATOM 687 HB1 LEU 45 13.481 -30.346 25.394 1.00 37.06 ATOM 688 HB2 LEU 45 15.019 -29.617 24.984 1.00 12.53 ATOM 689 CG LEU 45 13.393 -28.240 25.090 1.00 42.24 ATOM 690 HG LEU 45 13.849 -27.366 25.533 1.00 4.34 ATOM 691 CD1 LEU 45 13.505 -28.107 23.579 1.00 60.53 ATOM 692 HD11 LEU 45 14.507 -28.354 23.252 1.00 12.24 ATOM 693 HD12 LEU 45 13.286 -27.088 23.297 1.00 31.01 ATOM 694 HD13 LEU 45 12.801 -28.764 23.109 1.00 4.21 ATOM 695 CD2 LEU 45 11.933 -28.270 25.518 1.00 62.14 ATOM 696 HD21 LEU 45 11.463 -27.331 25.264 1.00 61.24 ATOM 697 HD22 LEU 45 11.862 -28.430 26.585 1.00 52.35 ATOM 698 HD23 LEU 45 11.440 -29.068 24.997 1.00 65.23 ATOM 699 C LEU 45 15.105 -30.869 27.417 1.00 0.35 ATOM 700 O LEU 45 14.355 -31.827 27.605 1.00 24.22 ATOM 701 N LYS 46 16.427 -30.953 27.527 1.00 15.11 ATOM 702 HN LYS 46 16.983 -30.173 27.333 1.00 37.06 ATOM 703 CA LYS 46 17.087 -32.203 27.883 1.00 21.03 ATOM 704 HA LYS 46 16.945 -32.895 27.064 1.00 41.52 ATOM 705 CB LYS 46 18.585 -31.971 28.092 1.00 2.31 ATOM 706 HB1 LYS 46 18.737 -31.439 29.024 1.00 37.06 ATOM 707 HB2 LYS 46 18.956 -31.361 27.280 1.00 53.42 ATOM 708 CG LYS 46 19.401 -33.252 28.124 1.00 52.44 ATOM 709 HG1 LYS 46 19.373 -33.705 27.143 1.00 37.06 ATOM 710 HG2 LYS 46 18.957 -33.927 28.844 1.00 75.01 ATOM 711 CD LYS 46 20.848 -32.982 28.500 1.00 61.13 ATOM 712 HD1 LYS 46 20.906 -32.102 29.130 1.00 37.06 ATOM 713 HD2 LYS 46 21.417 -32.813 27.598 1.00 30.22 ATOM 714 CE LYS 46 21.455 -34.154 29.255 1.00 22.24 ATOM 715 HE1 LYS 46 20.725 -34.589 29.917 1.00 37.06 ATOM 716 HE2 LYS 46 22.279 -33.779 29.846 1.00 5.42 ATOM 717 NZ LYS 46 21.980 -35.198 28.332 1.00 54.13 ATOM 718 HZ1 LYS 46 22.785 -34.823 27.790 1.00 34.41 ATOM 719 HZ2 LYS 46 21.242 -35.503 27.664 1.00 72.23 ATOM 720 HZ3 LYS 46 22.300 -36.025 28.876 1.00 25.14 ATOM 721 C LYS 46 16.474 -32.802 29.145 1.00 21.01 ATOM 722 O LYS 46 16.055 -33.960 29.154 1.00 42.32 ATOM 723 N ASP 47 16.424 -32.007 30.208 1.00 53.52 ATOM 724 HN ASP 47 16.744 -31.080 30.116 1.00 37.06 ATOM 725 CA ASP 47 15.859 -32.458 31.474 1.00 2.45 ATOM 726 HA ASP 47 16.417 -33.324 31.802 1.00 1.12 ATOM 727 CB ASP 47 15.986 -31.361 32.533 1.00 30.11 ATOM 728 HB1 ASP 47 15.867 -31.800 33.512 1.00 37.06 ATOM 729 HB2 ASP 47 15.216 -30.615 32.382 1.00 22.04 ATOM 730 CG ASP 47 17.329 -30.660 32.483 1.00 65.51 ATOM 731 OD1 ASP 47 18.222 -31.032 33.273 1.00 71.40 ATOM 732 OD2 ASP 47 17.488 -29.740 31.654 1.00 2.52 ATOM 733 C ASP 47 14.395 -32.853 31.307 1.00 64.31 ATOM 734 O ASP 47 13.979 -33.927 31.738 1.00 31.44 ATOM 735 N GLY 48 13.619 -31.977 30.678 1.00 52.55 ATOM 736 HN GLY 48 13.995 -31.128 30.353 1.00 37.06 ATOM 737 CA GLY 48 12.210 -32.252 30.465 1.00 12.03 ATOM 738 HA1 GLY 48 12.050 -33.309 30.329 1.00 37.06 ATOM 739 HA2 GLY 48 11.909 -31.744 29.563 1.00 3.33 ATOM 740 C GLY 48 11.342 -31.743 31.599 1.00 23.35 ATOM 741 O GLY 48 10.124 -31.639 31.460 1.00 53.40 ATOM 742 N VAL 49 11.971 -31.427 32.727 1.00 32.44 ATOM 743 HN VAL 49 12.938 -31.487 32.776 1.00 37.06 ATOM 744 CA VAL 49 11.248 -30.928 33.891 1.00 43.50 ATOM 745 HA VAL 49 10.634 -31.733 34.273 1.00 23.44 ATOM 746 CB VAL 49 12.216 -30.481 35.003 1.00 32.23 ATOM 747 HB VAL 49 12.839 -29.685 34.618 1.00 32.31 ATOM 748 CG1 VAL 49 11.444 -29.945 36.199 1.00 12.41 ATOM 749 HG11 VAL 49 10.647 -30.628 36.462 1.00 50.34 ATOM 750 HG12 VAL 49 11.024 -28.980 35.959 1.00 2.10 ATOM 751 HG13 VAL 49 12.110 -29.833 37.046 1.00 33.22 ATOM 752 CG2 VAL 49 13.121 -31.633 35.415 1.00 14.54 ATOM 753 HG21 VAL 49 13.754 -31.325 36.236 1.00 42.23 ATOM 754 HG22 VAL 49 13.741 -31.929 34.585 1.00 5.40 ATOM 755 HG23 VAL 49 12.518 -32.464 35.724 1.00 74.44 ATOM 756 C VAL 49 10.347 -29.757 33.517 1.00 53.43 ATOM 757 O VAL 49 9.263 -29.589 34.077 1.00 63.31 ATOM 758 N VAL 50 10.801 -28.948 32.565 1.00 41.51 ATOM 759 HN VAL 50 11.681 -29.115 32.156 1.00 37.06 ATOM 760 CA VAL 50 10.035 -27.792 32.114 1.00 70.04 ATOM 761 HA VAL 50 9.541 -27.351 32.974 1.00 24.41 ATOM 762 CB VAL 50 10.949 -26.723 31.487 1.00 41.52 ATOM 763 HB VAL 50 11.379 -27.123 30.578 1.00 42.21 ATOM 764 CG1 VAL 50 10.149 -25.480 31.127 1.00 73.24 ATOM 765 HG11 VAL 50 10.791 -24.799 30.604 1.00 50.12 ATOM 766 HG12 VAL 50 9.775 -25.009 32.024 1.00 62.02 ATOM 767 HG13 VAL 50 9.320 -25.734 30.484 1.00 44.11 ATOM 768 CG2 VAL 50 12.089 -26.376 32.432 1.00 25.52 ATOM 769 HG21 VAL 50 11.689 -26.003 33.365 1.00 63.35 ATOM 770 HG22 VAL 50 12.711 -25.621 31.984 1.00 43.13 ATOM 771 HG23 VAL 50 12.688 -27.253 32.625 1.00 4.14 ATOM 772 C VAL 50 8.975 -28.199 31.096 1.00 41.30 ATOM 773 O VAL 50 7.875 -27.645 31.074 1.00 71.30 ATOM 774 N LEU 51 9.313 -29.170 30.254 1.00 12.54 ATOM 775 HN LEU 51 10.216 -29.563 30.299 1.00 37.06 ATOM 776 CA LEU 51 8.390 -29.652 29.233 1.00 33.21 ATOM 777 HA LEU 51 8.239 -28.854 28.521 1.00 50.30 ATOM 778 CB LEU 51 8.979 -30.870 28.519 1.00 3.13 ATOM 779 HB1 LEU 51 8.169 -31.457 28.104 1.00 37.06 ATOM 780 HB2 LEU 51 9.482 -31.478 29.251 1.00 64.44 ATOM 781 CG LEU 51 9.962 -30.573 27.386 1.00 4.04 ATOM 782 HG LEU 51 10.732 -29.912 27.753 1.00 43.04 ATOM 783 CD1 LEU 51 10.631 -31.853 26.911 1.00 63.32 ATOM 784 HD11 LEU 51 11.361 -31.617 26.149 1.00 14.34 ATOM 785 HD12 LEU 51 9.887 -32.521 26.499 1.00 4.30 ATOM 786 HD13 LEU 51 11.125 -32.339 27.737 1.00 62.04 ATOM 787 CD2 LEU 51 9.253 -29.879 26.233 1.00 71.44 ATOM 788 HD21 LEU 51 9.786 -30.042 25.309 1.00 74.14 ATOM 789 HD22 LEU 51 9.207 -28.819 26.431 1.00 5.11 ATOM 790 HD23 LEU 51 8.247 -30.262 26.129 1.00 74.52 ATOM 791 C LEU 51 7.040 -30.012 29.845 1.00 13.33 ATOM 792 O LEU 51 5.990 -29.639 29.320 1.00 12.13 ATOM 793 N CYS 52 7.075 -30.735 30.959 1.00 71.54 ATOM 794 HN CYS 52 7.948 -31.008 31.330 1.00 37.06 ATOM 795 CA CYS 52 5.854 -31.144 31.644 1.00 72.23 ATOM 796 HA CYS 52 5.220 -31.651 30.926 1.00 44.33 ATOM 797 CB CYS 52 6.184 -32.093 32.796 1.00 23.35 ATOM 798 HB1 CYS 52 5.488 -31.941 33.613 1.00 37.06 ATOM 799 HB2 CYS 52 7.183 -31.892 33.151 1.00 42.44 ATOM 800 SG CYS 52 6.107 -33.845 32.356 1.00 74.13 ATOM 801 HG CYS 52 7.105 -34.102 31.523 1.00 14.34 ATOM 802 C CYS 52 5.093 -29.931 32.170 1.00 65.13 ATOM 803 O CYS 52 3.887 -29.803 31.959 1.00 3.03 ATOM 804 N ARG 53 5.807 -29.044 32.856 1.00 33.31 ATOM 805 HN ARG 53 6.771 -29.205 32.999 1.00 37.06 ATOM 806 CA ARG 53 5.199 -27.843 33.415 1.00 14.11 ATOM 807 HA ARG 53 4.494 -28.149 34.177 1.00 23.24 ATOM 808 CB ARG 53 6.269 -26.951 34.047 1.00 15.23 ATOM 809 HB1 ARG 53 5.856 -25.966 34.228 1.00 37.06 ATOM 810 HB2 ARG 53 7.094 -26.860 33.353 1.00 54.12 ATOM 811 CG ARG 53 6.801 -27.481 35.369 1.00 73.15 ATOM 812 HG1 ARG 53 7.090 -28.516 35.246 1.00 37.06 ATOM 813 HG2 ARG 53 6.023 -27.409 36.114 1.00 10.14 ATOM 814 CD ARG 53 8.009 -26.688 35.841 1.00 62.01 ATOM 815 HD1 ARG 53 7.690 -25.675 36.046 1.00 37.06 ATOM 816 HD2 ARG 53 8.756 -26.680 35.058 1.00 44.24 ATOM 817 NE ARG 53 8.601 -27.259 37.048 1.00 14.31 ATOM 818 HE ARG 53 8.284 -28.145 37.344 1.00 71.41 ATOM 819 CZ ARG 53 9.542 -26.652 37.763 1.00 54.00 ATOM 820 NH1 ARG 53 9.995 -25.462 37.394 1.00 63.11 ATOM 821 HH11 ARG 53 9.647 -25.000 36.581 1.00 41.30 ATOM 822 HH12 ARG 53 10.704 -25.011 37.941 1.00 40.23 ATOM 823 NH2 ARG 53 10.030 -27.235 38.850 1.00 63.41 ATOM 824 HH21 ARG 53 9.691 -28.134 39.135 1.00 35.34 ATOM 825 HH22 ARG 53 10.740 -26.779 39.391 1.00 24.21 ATOM 826 C ARG 53 4.443 -27.066 32.341 1.00 51.10 ATOM 827 O ARG 53 3.338 -26.576 32.576 1.00 54.30 ATOM 828 N LEU 54 5.046 -26.957 31.162 1.00 2.05 ATOM 829 HN LEU 54 5.938 -27.359 31.034 1.00 37.06 ATOM 830 CA LEU 54 4.431 -26.239 30.051 1.00 31.15 ATOM 831 HA LEU 54 4.289 -25.211 30.350 1.00 12.02 ATOM 832 CB LEU 54 5.346 -26.274 28.827 1.00 44.24 ATOM 833 HB1 LEU 54 5.741 -27.277 28.739 1.00 37.06 ATOM 834 HB2 LEU 54 6.175 -25.602 29.008 1.00 62.34 ATOM 835 CG LEU 54 4.698 -25.899 27.493 1.00 22.32 ATOM 836 HG LEU 54 3.826 -26.510 27.327 1.00 42.55 ATOM 837 CD1 LEU 54 4.255 -24.445 27.505 1.00 1.41 ATOM 838 HD11 LEU 54 5.120 -23.827 27.654 1.00 0.41 ATOM 839 HD12 LEU 54 3.549 -24.282 28.308 1.00 54.24 ATOM 840 HD13 LEU 54 3.790 -24.195 26.562 1.00 4.42 ATOM 841 CD2 LEU 54 5.659 -26.157 26.342 1.00 45.30 ATOM 842 HD21 LEU 54 5.282 -25.714 25.439 1.00 4.43 ATOM 843 HD22 LEU 54 5.767 -27.221 26.198 1.00 64.14 ATOM 844 HD23 LEU 54 6.627 -25.727 26.568 1.00 24.43 ATOM 845 C LEU 54 3.072 -26.838 29.702 1.00 2.21 ATOM 846 O LEU 54 2.084 -26.118 29.553 1.00 10.44 ATOM 847 N LEU 55 3.029 -28.159 29.574 1.00 21.44 ATOM 848 HN LEU 55 3.856 -28.684 29.698 1.00 37.06 ATOM 849 CA LEU 55 1.791 -28.856 29.245 1.00 74.22 ATOM 850 HA LEU 55 1.449 -28.496 28.285 1.00 52.54 ATOM 851 CB LEU 55 2.040 -30.362 29.146 1.00 23.24 ATOM 852 HB1 LEU 55 2.542 -30.675 30.052 1.00 37.06 ATOM 853 HB2 LEU 55 2.701 -30.527 28.316 1.00 40.24 ATOM 854 CG LEU 55 0.801 -31.237 28.951 1.00 43.30 ATOM 855 HG LEU 55 0.091 -31.045 29.741 1.00 50.53 ATOM 856 CD1 LEU 55 0.125 -30.916 27.627 1.00 64.42 ATOM 857 HD11 LEU 55 -0.133 -29.867 27.586 1.00 71.24 ATOM 858 HD12 LEU 55 -0.775 -31.506 27.531 1.00 13.30 ATOM 859 HD13 LEU 55 0.787 -31.154 26.829 1.00 2.23 ATOM 860 CD2 LEU 55 1.173 -32.711 29.020 1.00 53.24 ATOM 861 HD21 LEU 55 1.701 -32.897 29.918 1.00 63.44 ATOM 862 HD22 LEU 55 1.795 -32.977 28.177 1.00 14.41 ATOM 863 HD23 LEU 55 0.272 -33.303 29.007 1.00 21.23 ATOM 864 C LEU 55 0.713 -28.575 30.287 1.00 5.15 ATOM 865 O LEU 55 -0.480 -28.642 29.994 1.00 24.02 ATOM 866 N GLU 56 1.144 -28.258 31.505 1.00 53.13 ATOM 867 HN GLU 56 2.103 -28.264 31.701 1.00 37.06 ATOM 868 CA GLU 56 0.215 -27.965 32.590 1.00 1.12 ATOM 869 HA GLU 56 -0.615 -28.661 32.527 1.00 44.13 ATOM 870 CB GLU 56 0.909 -28.130 33.944 1.00 63.44 ATOM 871 HB1 GLU 56 0.561 -27.374 34.638 1.00 37.06 ATOM 872 HB2 GLU 56 1.971 -27.998 33.815 1.00 31.43 ATOM 873 CG GLU 56 0.701 -29.499 34.571 1.00 3.41 ATOM 874 HG1 GLU 56 1.530 -29.701 35.233 1.00 37.06 ATOM 875 HG2 GLU 56 0.675 -30.254 33.796 1.00 53.10 ATOM 876 CD GLU 56 -0.582 -29.583 35.374 1.00 31.12 ATOM 877 OE1 GLU 56 -0.900 -30.685 35.870 1.00 43.34 ATOM 878 OE2 GLU 56 -1.269 -28.549 35.507 1.00 2.31 ATOM 879 C GLU 56 -0.343 -26.550 32.462 1.00 63.30 ATOM 880 O GLU 56 -1.476 -26.280 32.861 1.00 44.12 ATOM 881 N ARG 57 0.462 -25.652 31.903 1.00 15.23 ATOM 882 HN ARG 57 1.367 -25.914 31.624 1.00 37.06 ATOM 883 CA ARG 57 0.050 -24.265 31.724 1.00 51.31 ATOM 884 HA ARG 57 -0.239 -23.875 32.686 1.00 55.04 ATOM 885 CB ARG 57 1.203 -23.438 31.151 1.00 73.41 ATOM 886 HB1 ARG 57 0.821 -22.503 30.763 1.00 37.06 ATOM 887 HB2 ARG 57 1.652 -23.981 30.339 1.00 55.44 ATOM 888 CG ARG 57 2.290 -23.125 32.165 1.00 2.53 ATOM 889 HG1 ARG 57 3.078 -22.576 31.672 1.00 37.06 ATOM 890 HG2 ARG 57 2.684 -24.051 32.556 1.00 35.32 ATOM 891 CD ARG 57 1.753 -22.290 33.318 1.00 60.43 ATOM 892 HD1 ARG 57 2.584 -21.996 33.943 1.00 37.06 ATOM 893 HD2 ARG 57 1.077 -22.900 33.894 1.00 63.23 ATOM 894 NE ARG 57 1.067 -21.089 32.851 1.00 53.05 ATOM 895 HE ARG 57 1.246 -20.781 31.933 1.00 71.23 ATOM 896 CZ ARG 57 0.230 -20.382 33.601 1.00 14.24 ATOM 897 NH1 ARG 57 -0.023 -20.754 34.849 1.00 41.33 ATOM 898 HH11 ARG 57 0.404 -21.559 35.253 1.00 41.13 ATOM 899 HH12 ARG 57 -0.659 -20.215 35.405 1.00 3.34 ATOM 900 NH2 ARG 57 -0.356 -19.300 33.105 1.00 54.21 ATOM 901 HH21 ARG 57 -0.169 -19.013 32.163 1.00 33.21 ATOM 902 HH22 ARG 57 -0.988 -18.765 33.670 1.00 72.54 ATOM 903 C ARG 57 -1.163 -24.172 30.803 1.00 72.40 ATOM 904 O ARG 57 -2.173 -23.557 31.148 1.00 21.12 ATOM 905 N LEU 58 -1.057 -24.787 29.630 1.00 11.01 ATOM 906 HN LEU 58 -0.242 -25.305 29.431 1.00 37.06 ATOM 907 CA LEU 58 -2.145 -24.774 28.658 1.00 31.24 ATOM 908 HA LEU 58 -2.665 -23.826 28.730 1.00 73.50 ATOM 909 CB LEU 58 -1.590 -24.914 27.240 1.00 41.32 ATOM 910 HB1 LEU 58 -2.347 -24.572 26.546 1.00 37.06 ATOM 911 HB2 LEU 58 -1.412 -25.969 27.051 1.00 63.11 ATOM 912 CG LEU 58 -0.291 -24.161 26.951 1.00 65.44 ATOM 913 HG LEU 58 0.440 -24.385 27.710 1.00 31.32 ATOM 914 CD1 LEU 58 0.297 -24.603 25.619 1.00 53.41 ATOM 915 HD11 LEU 58 1.368 -24.464 25.644 1.00 30.43 ATOM 916 HD12 LEU 58 -0.114 -24.008 24.818 1.00 20.42 ATOM 917 HD13 LEU 58 0.080 -25.644 25.440 1.00 23.53 ATOM 918 CD2 LEU 58 -0.531 -22.659 26.958 1.00 52.23 ATOM 919 HD21 LEU 58 0.401 -22.142 26.776 1.00 52.20 ATOM 920 HD22 LEU 58 -0.921 -22.359 27.921 1.00 64.21 ATOM 921 HD23 LEU 58 -1.242 -22.399 26.186 1.00 13.01 ATOM 922 C LEU 58 -3.140 -25.896 28.940 1.00 41.40 ATOM 923 O LEU 58 -4.353 -25.700 28.855 1.00 11.33 ATOM 924 N LEU 59 -2.619 -27.070 29.277 1.00 32.31 ATOM 925 HN LEU 59 -1.643 -27.182 29.323 1.00 37.06 ATOM 926 CA LEU 59 -3.462 -28.224 29.574 1.00 3.30 ATOM 927 HA LEU 59 -4.496 -27.953 29.458 1.00 20.21 ATOM 928 CB LEU 59 -3.150 -29.369 28.610 1.00 72.45 ATOM 929 HB1 LEU 59 -3.569 -30.283 29.016 1.00 37.06 ATOM 930 HB2 LEU 59 -2.081 -29.486 28.557 1.00 14.50 ATOM 931 CG LEU 59 -3.681 -29.210 27.184 1.00 30.14 ATOM 932 HG LEU 59 -3.248 -28.324 26.742 1.00 11.44 ATOM 933 CD1 LEU 59 -3.282 -30.403 26.330 1.00 71.13 ATOM 934 HD11 LEU 59 -3.664 -31.314 26.771 1.00 32.02 ATOM 935 HD12 LEU 59 -2.208 -30.457 26.267 1.00 63.02 ATOM 936 HD13 LEU 59 -3.689 -30.290 25.334 1.00 21.43 ATOM 937 CD2 LEU 59 -5.193 -29.041 27.194 1.00 13.44 ATOM 938 HD21 LEU 59 -5.651 -29.858 27.735 1.00 63.15 ATOM 939 HD22 LEU 59 -5.565 -29.035 26.178 1.00 41.42 ATOM 940 HD23 LEU 59 -5.452 -28.107 27.665 1.00 5.20 ATOM 941 C LEU 59 -3.263 -28.687 31.013 1.00 25.35 ATOM 942 O LEU 59 -2.639 -29.715 31.280 1.00 3.31 ATOM 943 N PRO 60 -3.806 -27.914 31.965 1.00 34.11 ATOM 944 CA PRO 60 -3.704 -28.227 33.394 1.00 52.15 ATOM 945 HA PRO 60 -2.677 -28.367 33.684 1.00 25.25 ATOM 946 CB PRO 60 -4.260 -26.972 34.072 1.00 20.41 ATOM 947 HB1 PRO 60 -3.448 -26.304 34.312 1.00 37.06 ATOM 948 HB2 PRO 60 -4.792 -27.229 34.980 1.00 62.22 ATOM 949 CG PRO 60 -5.170 -26.366 33.060 1.00 32.34 ATOM 950 HG1 PRO 60 -5.225 -25.298 33.209 1.00 37.06 ATOM 951 HG2 PRO 60 -6.152 -26.808 33.138 1.00 10.15 ATOM 952 CD PRO 60 -4.564 -26.675 31.720 1.00 65.13 ATOM 953 HD1 PRO 60 -3.909 -25.873 31.427 1.00 37.06 ATOM 954 HD2 PRO 60 -5.341 -26.823 30.987 1.00 30.33 ATOM 955 C PRO 60 -4.528 -29.451 33.779 1.00 11.44 ATOM 956 O PRO 60 -5.751 -29.455 33.646 1.00 11.21 ATOM 957 N GLY 61 -3.849 -30.489 34.259 1.00 13.51 ATOM 958 HN GLY 61 -2.880 -30.432 34.366 1.00 37.06 ATOM 959 CA GLY 61 -4.535 -31.704 34.657 1.00 15.32 ATOM 960 HA1 GLY 61 -5.609 -31.568 34.628 1.00 37.06 ATOM 961 HA2 GLY 61 -4.251 -31.936 35.672 1.00 43.14 ATOM 962 C GLY 61 -4.174 -32.887 33.781 1.00 14.13 ATOM 963 O GLY 61 -4.892 -33.887 33.747 1.00 14.15 ATOM 964 N THR 62 -3.058 -32.775 33.068 1.00 51.40 ATOM 965 HN THR 62 -2.511 -31.966 33.124 1.00 37.06 ATOM 966 CA THR 62 -2.604 -33.842 32.185 1.00 13.14 ATOM 967 HA THR 62 -3.422 -34.540 32.029 1.00 71.34 ATOM 968 CB THR 62 -2.175 -33.291 30.812 1.00 21.15 ATOM 969 HB THR 62 -1.141 -32.971 30.858 1.00 41.42 ATOM 970 OG1 THR 62 -2.980 -32.159 30.465 1.00 74.52 ATOM 971 HG1 THR 62 -3.915 -32.399 30.422 1.00 15.44 ATOM 972 CG2 THR 62 -2.301 -34.360 29.737 1.00 14.41 ATOM 973 HG21 THR 62 -1.995 -33.949 28.786 1.00 60.52 ATOM 974 HG22 THR 62 -3.328 -34.689 29.671 1.00 10.40 ATOM 975 HG23 THR 62 -1.668 -35.200 29.985 1.00 74.14 ATOM 976 C THR 62 -1.438 -34.606 32.801 1.00 2.02 ATOM 977 O THR 62 -1.308 -35.816 32.614 1.00 74.12 ATOM 978 N ILE 63 -0.592 -33.893 33.537 1.00 42.33 ATOM 979 HN ILE 63 -0.731 -32.927 33.651 1.00 37.06 ATOM 980 CA ILE 63 0.563 -34.505 34.181 1.00 21.24 ATOM 981 HA ILE 63 0.917 -35.314 33.547 1.00 11.34 ATOM 982 CB ILE 63 1.714 -33.496 34.351 1.00 62.21 ATOM 983 HB ILE 63 1.389 -32.712 35.021 1.00 1.12 ATOM 984 CG1 ILE 63 2.078 -32.873 33.002 1.00 53.33 ATOM 985 HG11 ILE 63 2.856 -32.136 33.152 1.00 37.06 ATOM 986 HG12 ILE 63 1.211 -32.384 32.582 1.00 31.33 ATOM 987 CG2 ILE 63 2.927 -34.175 34.971 1.00 55.13 ATOM 988 HG21 ILE 63 2.740 -34.359 36.019 1.00 43.05 ATOM 989 HG22 ILE 63 3.795 -33.535 34.880 1.00 51.50 ATOM 990 HG23 ILE 63 3.125 -35.116 34.476 1.00 41.33 ATOM 991 CD1 ILE 63 2.583 -33.876 31.989 1.00 63.10 ATOM 992 HD11 ILE 63 3.137 -33.353 31.225 1.00 32.52 ATOM 993 HD12 ILE 63 1.744 -34.383 31.538 1.00 30.02 ATOM 994 HD13 ILE 63 3.231 -34.604 32.449 1.00 62.41 ATOM 995 C ILE 63 0.193 -35.072 35.548 1.00 4.20 ATOM 996 O ILE 63 -0.325 -34.359 36.406 1.00 1.34 ATOM 997 N GLU 64 0.465 -36.358 35.742 1.00 24.55 ATOM 998 HN GLU 64 0.878 -36.884 35.018 1.00 37.06 ATOM 999 CA GLU 64 0.162 -37.020 37.006 1.00 71.21 ATOM 1000 HA GLU 64 -0.518 -36.402 37.580 1.00 75.30 ATOM 1001 CB GLU 64 -0.518 -38.367 36.751 1.00 14.13 ATOM 1002 HB1 GLU 64 0.112 -38.957 36.101 1.00 37.06 ATOM 1003 HB2 GLU 64 -1.460 -38.183 36.252 1.00 45.22 ATOM 1004 CG GLU 64 -0.780 -39.166 38.017 1.00 4.10 ATOM 1005 HG1 GLU 64 -1.126 -38.498 38.795 1.00 37.06 ATOM 1006 HG2 GLU 64 0.143 -39.631 38.330 1.00 12.43 ATOM 1007 CD GLU 64 -1.824 -40.247 37.819 1.00 15.14 ATOM 1008 OE1 GLU 64 -1.494 -41.435 38.014 1.00 21.11 ATOM 1009 OE2 GLU 64 -2.973 -39.904 37.470 1.00 14.31 ATOM 1010 C GLU 64 1.429 -37.226 37.830 1.00 24.24 ATOM 1011 O GLU 64 1.409 -37.124 39.057 1.00 25.13 ATOM 1012 N LYS 65 2.531 -37.517 37.148 1.00 64.43 ATOM 1013 HN LYS 65 2.491 -37.626 36.171 1.00 37.06 ATOM 1014 CA LYS 65 3.809 -37.738 37.814 1.00 3.53 ATOM 1015 HA LYS 65 3.810 -37.184 38.747 1.00 10.53 ATOM 1016 CB LYS 65 3.994 -39.223 38.131 1.00 75.41 ATOM 1017 HB1 LYS 65 3.811 -39.795 37.233 1.00 37.06 ATOM 1018 HB2 LYS 65 3.274 -39.512 38.883 1.00 31.43 ATOM 1019 CG LYS 65 5.382 -39.569 38.640 1.00 63.35 ATOM 1020 HG1 LYS 65 6.111 -39.382 37.866 1.00 37.06 ATOM 1021 HG2 LYS 65 5.392 -40.624 38.884 1.00 45.43 ATOM 1022 CD LYS 65 5.741 -38.761 39.875 1.00 41.42 ATOM 1023 HD1 LYS 65 4.841 -38.473 40.405 1.00 37.06 ATOM 1024 HD2 LYS 65 6.276 -37.877 39.570 1.00 2.24 ATOM 1025 CE LYS 65 6.624 -39.556 40.824 1.00 2.44 ATOM 1026 HE1 LYS 65 7.529 -39.842 40.305 1.00 37.06 ATOM 1027 HE2 LYS 65 6.093 -40.444 41.137 1.00 71.33 ATOM 1028 NZ LYS 65 6.992 -38.766 42.032 1.00 15.04 ATOM 1029 HZ1 LYS 65 6.137 -38.486 42.556 1.00 53.02 ATOM 1030 HZ2 LYS 65 7.515 -37.908 41.759 1.00 54.04 ATOM 1031 HZ3 LYS 65 7.595 -39.337 42.659 1.00 24.43 ATOM 1032 C LYS 65 4.966 -37.244 36.951 1.00 54.23 ATOM 1033 O LYS 65 5.099 -37.636 35.791 1.00 2.34 ATOM 1034 N VAL 66 5.800 -36.382 37.524 1.00 64.35 ATOM 1035 HN VAL 66 5.642 -36.088 38.451 1.00 37.06 ATOM 1036 CA VAL 66 6.947 -35.837 36.807 1.00 61.22 ATOM 1037 HA VAL 66 7.070 -36.382 35.875 1.00 41.32 ATOM 1038 CB VAL 66 6.744 -34.347 36.474 1.00 5.14 ATOM 1039 HB VAL 66 5.730 -34.208 36.128 1.00 50.53 ATOM 1040 CG1 VAL 66 6.944 -33.491 37.716 1.00 44.24 ATOM 1041 HG11 VAL 66 7.990 -33.264 37.847 1.00 23.00 ATOM 1042 HG12 VAL 66 6.573 -34.005 38.594 1.00 25.41 ATOM 1043 HG13 VAL 66 6.398 -32.567 37.595 1.00 41.25 ATOM 1044 CG2 VAL 66 7.689 -33.917 35.362 1.00 13.50 ATOM 1045 HG21 VAL 66 7.709 -34.661 34.581 1.00 24.21 ATOM 1046 HG22 VAL 66 8.688 -33.782 35.752 1.00 10.54 ATOM 1047 HG23 VAL 66 7.348 -32.986 34.962 1.00 71.44 ATOM 1048 C VAL 66 8.228 -35.996 37.618 1.00 62.12 ATOM 1049 O VAL 66 8.186 -36.198 38.832 1.00 70.14 ATOM 1050 N TYR 67 9.366 -35.903 36.939 1.00 24.14 ATOM 1051 HN TYR 67 9.349 -35.788 35.964 1.00 37.06 ATOM 1052 CA TYR 67 10.661 -36.038 37.596 1.00 20.44 ATOM 1053 HA TYR 67 10.518 -36.363 38.611 1.00 43.05 ATOM 1054 CB TYR 67 11.511 -37.091 36.883 1.00 31.30 ATOM 1055 HB1 TYR 67 12.492 -37.117 37.335 1.00 37.06 ATOM 1056 HB2 TYR 67 11.616 -36.819 35.848 1.00 61.41 ATOM 1057 CG TYR 67 10.935 -38.487 36.959 1.00 30.30 ATOM 1058 CD1 TYR 67 11.003 -39.348 35.871 1.00 73.42 ATOM 1059 HD1 TYR 67 11.472 -39.009 34.970 1.00 61.32 ATOM 1060 CD2 TYR 67 10.324 -38.945 38.120 1.00 71.51 ATOM 1061 HD2 TYR 67 10.262 -38.305 38.984 1.00 52.22 ATOM 1062 CE1 TYR 67 10.477 -40.624 35.936 1.00 61.23 ATOM 1063 HE1 TYR 67 10.542 -41.282 35.090 1.00 50.32 ATOM 1064 CE2 TYR 67 9.797 -40.220 38.194 1.00 31.33 ATOM 1065 HE2 TYR 67 9.326 -40.557 39.106 1.00 4.43 ATOM 1066 CZ TYR 67 9.875 -41.056 37.100 1.00 45.35 ATOM 1067 OH TYR 67 9.352 -42.326 37.169 1.00 60.44 ATOM 1068 HH TYR 67 8.391 -42.285 37.150 1.00 3.22 ATOM 1069 C TYR 67 11.401 -34.704 37.623 1.00 74.32 ATOM 1070 O TYR 67 12.265 -34.428 36.791 1.00 4.12 ATOM 1071 N PRO 68 11.054 -33.856 38.602 1.00 33.12 ATOM 1072 CA PRO 68 11.672 -32.537 38.763 1.00 4.10 ATOM 1073 HA PRO 68 11.624 -31.970 37.856 1.00 55.14 ATOM 1074 CB PRO 68 10.812 -31.870 39.839 1.00 75.12 ATOM 1075 HB1 PRO 68 10.036 -31.288 39.365 1.00 37.06 ATOM 1076 HB2 PRO 68 11.412 -31.224 40.469 1.00 23.25 ATOM 1077 CG PRO 68 10.230 -33.002 40.614 1.00 42.30 ATOM 1078 HG1 PRO 68 9.283 -32.706 41.041 1.00 37.06 ATOM 1079 HG2 PRO 68 10.915 -33.305 41.392 1.00 10.53 ATOM 1080 CD PRO 68 10.031 -34.120 39.628 1.00 10.34 ATOM 1081 HD1 PRO 68 9.053 -34.065 39.226 1.00 37.06 ATOM 1082 HD2 PRO 68 10.192 -35.069 40.115 1.00 61.32 ATOM 1083 C PRO 68 13.123 -32.629 39.223 1.00 22.44 ATOM 1084 O PRO 68 13.898 -31.689 39.054 1.00 43.14 ATOM 1085 N GLU 69 13.483 -33.769 39.806 1.00 0.21 ATOM 1086 HN GLU 69 12.824 -34.483 39.950 1.00 37.06 ATOM 1087 CA GLU 69 14.842 -33.982 40.291 1.00 74.32 ATOM 1088 HA GLU 69 15.497 -33.228 39.874 1.00 60.44 ATOM 1089 CB GLU 69 14.890 -33.849 41.814 1.00 30.44 ATOM 1090 HB1 GLU 69 14.801 -32.803 42.068 1.00 37.06 ATOM 1091 HB2 GLU 69 15.844 -34.213 42.178 1.00 25.51 ATOM 1092 CG GLU 69 13.778 -34.601 42.527 1.00 62.54 ATOM 1093 HG1 GLU 69 13.788 -35.634 42.215 1.00 37.06 ATOM 1094 HG2 GLU 69 12.832 -34.156 42.258 1.00 54.33 ATOM 1095 CD GLU 69 13.913 -34.551 44.036 1.00 4.50 ATOM 1096 OE1 GLU 69 13.852 -35.623 44.673 1.00 31.10 ATOM 1097 OE2 GLU 69 14.080 -33.439 44.580 1.00 23.22 ATOM 1098 C GLU 69 15.359 -35.356 39.872 1.00 0.44 ATOM 1099 O GLU 69 15.495 -36.270 40.686 1.00 42.23 ATOM 1100 N PRO 70 15.654 -35.505 38.573 1.00 60.44 ATOM 1101 CA PRO 70 16.161 -36.763 38.016 1.00 71.13 ATOM 1102 HA PRO 70 15.510 -37.592 38.263 1.00 3.45 ATOM 1103 CB PRO 70 16.127 -36.521 36.505 1.00 72.24 ATOM 1104 HB1 PRO 70 15.195 -36.892 36.105 1.00 37.06 ATOM 1105 HB2 PRO 70 16.949 -37.031 36.030 1.00 34.24 ATOM 1106 CG PRO 70 16.224 -35.042 36.355 1.00 23.14 ATOM 1107 HG1 PRO 70 15.738 -34.733 35.442 1.00 37.06 ATOM 1108 HG2 PRO 70 17.261 -34.741 36.350 1.00 73.03 ATOM 1109 CD PRO 70 15.516 -34.458 37.546 1.00 30.35 ATOM 1110 HD1 PRO 70 14.486 -34.272 37.319 1.00 37.06 ATOM 1111 HD2 PRO 70 16.005 -33.546 37.851 1.00 24.21 ATOM 1112 C PRO 70 17.583 -37.069 38.474 1.00 14.13 ATOM 1113 O PRO 70 18.406 -36.165 38.618 1.00 23.21 ATOM 1114 N ARG 71 17.864 -38.348 38.702 1.00 51.41 ATOM 1115 HN ARG 71 17.157 -39.025 38.603 1.00 37.06 ATOM 1116 CA ARG 71 19.187 -38.772 39.145 1.00 15.20 ATOM 1117 HA ARG 71 19.817 -37.899 39.273 1.00 22.20 ATOM 1118 CB ARG 71 19.087 -39.517 40.477 1.00 33.32 ATOM 1119 HB1 ARG 71 19.634 -40.451 40.415 1.00 37.06 ATOM 1120 HB2 ARG 71 18.049 -39.751 40.684 1.00 23.45 ATOM 1121 CG ARG 71 19.654 -38.740 41.654 1.00 62.32 ATOM 1122 HG1 ARG 71 20.578 -38.269 41.362 1.00 37.06 ATOM 1123 HG2 ARG 71 19.849 -39.434 42.459 1.00 23.23 ATOM 1124 CD ARG 71 18.675 -37.688 42.151 1.00 43.03 ATOM 1125 HD1 ARG 71 17.748 -38.177 42.420 1.00 37.06 ATOM 1126 HD2 ARG 71 18.483 -36.979 41.357 1.00 33.44 ATOM 1127 NE ARG 71 19.182 -36.979 43.323 1.00 41.15 ATOM 1128 HE ARG 71 18.753 -37.170 44.186 1.00 1.20 ATOM 1129 CZ ARG 71 20.180 -36.103 43.277 1.00 71.20 ATOM 1130 NH1 ARG 71 20.774 -35.830 42.124 1.00 44.02 ATOM 1131 HH11 ARG 71 20.492 -36.253 41.271 1.00 31.41 ATOM 1132 HH12 ARG 71 21.534 -35.176 42.107 1.00 32.31 ATOM 1133 NH2 ARG 71 20.585 -35.498 44.387 1.00 74.54 ATOM 1134 HH21 ARG 71 20.140 -35.700 45.262 1.00 53.33 ATOM 1135 HH22 ARG 71 21.338 -34.837 44.355 1.00 14.14 ATOM 1136 C ARG 71 19.850 -39.663 38.099 1.00 21.45 ATOM 1137 O ARG 71 21.075 -39.782 38.057 1.00 14.03 ATOM 1138 N SER 72 19.033 -40.289 37.258 1.00 41.42 ATOM 1139 HN SER 72 18.064 -40.194 37.338 1.00 37.06 ATOM 1140 CA SER 72 19.540 -41.173 36.215 1.00 3.21 ATOM 1141 HA SER 72 20.620 -41.107 36.180 1.00 31.33 ATOM 1142 CB SER 72 19.155 -42.623 36.514 1.00 13.34 ATOM 1143 HB1 SER 72 19.710 -43.285 35.867 1.00 37.06 ATOM 1144 HB2 SER 72 18.094 -42.764 36.349 1.00 65.15 ATOM 1145 OG SER 72 19.449 -42.962 37.859 1.00 50.35 ATOM 1146 HG SER 72 18.756 -42.630 38.435 1.00 73.41 ATOM 1147 C SER 72 19.003 -40.764 34.847 1.00 11.21 ATOM 1148 O SER 72 18.335 -39.739 34.712 1.00 3.14 ATOM 1149 N GLU 73 19.300 -41.573 33.835 1.00 31.33 ATOM 1150 HN GLU 73 19.853 -42.372 33.993 1.00 37.06 ATOM 1151 CA GLU 73 18.847 -41.295 32.477 1.00 25.33 ATOM 1152 HA GLU 73 18.901 -40.224 32.309 1.00 55.10 ATOM 1153 CB GLU 73 19.743 -42.008 31.462 1.00 41.13 ATOM 1154 HB1 GLU 73 19.165 -42.261 30.580 1.00 37.06 ATOM 1155 HB2 GLU 73 20.115 -42.925 31.902 1.00 2.25 ATOM 1156 CG GLU 73 20.929 -41.174 31.005 1.00 32.55 ATOM 1157 HG1 GLU 73 21.406 -40.733 31.871 1.00 37.06 ATOM 1158 HG2 GLU 73 20.568 -40.399 30.369 1.00 61.21 ATOM 1159 CD GLU 73 21.962 -41.992 30.254 1.00 12.32 ATOM 1160 OE1 GLU 73 23.009 -42.318 30.852 1.00 35.04 ATOM 1161 OE2 GLU 73 21.724 -42.305 29.069 1.00 1.30 ATOM 1162 C GLU 73 17.397 -41.731 32.287 1.00 44.11 ATOM 1163 O GLU 73 16.612 -41.044 31.634 1.00 42.40 ATOM 1164 N SER 74 17.050 -42.878 32.862 1.00 50.13 ATOM 1165 HN SER 74 17.725 -43.397 33.360 1.00 37.06 ATOM 1166 CA SER 74 15.696 -43.408 32.752 1.00 21.53 ATOM 1167 HA SER 74 15.525 -43.674 31.719 1.00 14.24 ATOM 1168 CB SER 74 15.544 -44.660 33.619 1.00 4.23 ATOM 1169 HB1 SER 74 14.616 -45.155 33.373 1.00 37.06 ATOM 1170 HB2 SER 74 15.538 -44.383 34.665 1.00 23.42 ATOM 1171 OG SER 74 16.615 -45.563 33.404 1.00 43.53 ATOM 1172 HG SER 74 16.457 -46.067 32.602 1.00 52.43 ATOM 1173 C SER 74 14.667 -42.361 33.167 1.00 61.14 ATOM 1174 O SER 74 13.590 -42.269 32.580 1.00 54.24 ATOM 1175 N GLU 75 15.009 -41.574 34.182 1.00 33.33 ATOM 1176 HN GLU 75 15.885 -41.693 34.620 1.00 37.06 ATOM 1177 CA GLU 75 14.114 -40.534 34.676 1.00 3.11 ATOM 1178 HA GLU 75 13.101 -40.924 34.677 1.00 72.03 ATOM 1179 CB GLU 75 14.499 -40.134 36.102 1.00 2.00 ATOM 1180 HB1 GLU 75 14.195 -39.108 36.269 1.00 37.06 ATOM 1181 HB2 GLU 75 15.575 -40.195 36.207 1.00 30.31 ATOM 1182 CG GLU 75 13.871 -41.012 37.171 1.00 31.20 ATOM 1183 HG1 GLU 75 14.535 -41.841 37.367 1.00 37.06 ATOM 1184 HG2 GLU 75 12.923 -41.391 36.823 1.00 21.32 ATOM 1185 CD GLU 75 13.637 -40.270 38.472 1.00 32.04 ATOM 1186 OE1 GLU 75 13.716 -40.910 39.542 1.00 3.21 ATOM 1187 OE2 GLU 75 13.374 -39.050 38.422 1.00 70.44 ATOM 1188 C GLU 75 14.149 -39.310 33.766 1.00 40.51 ATOM 1189 O GLU 75 13.107 -38.805 33.346 1.00 73.52 ATOM 1190 N CYS 76 15.354 -38.837 33.466 1.00 14.43 ATOM 1191 HN CYS 76 16.153 -39.280 33.839 1.00 37.06 ATOM 1192 CA CYS 76 15.525 -37.670 32.607 1.00 22.42 ATOM 1193 HA CYS 76 15.118 -36.814 33.128 1.00 3.41 ATOM 1194 CB CYS 76 17.009 -37.440 32.315 1.00 74.54 ATOM 1195 HB1 CYS 76 17.130 -37.018 31.324 1.00 37.06 ATOM 1196 HB2 CYS 76 17.536 -38.382 32.357 1.00 54.34 ATOM 1197 SG CYS 76 17.823 -36.313 33.470 1.00 52.21 ATOM 1198 HG CYS 76 18.310 -35.296 32.774 1.00 31.51 ATOM 1199 C CYS 76 14.757 -37.840 31.301 1.00 50.15 ATOM 1200 O CYS 76 14.083 -36.917 30.840 1.00 62.53 ATOM 1201 N LEU 77 14.864 -39.023 30.707 1.00 71.51 ATOM 1202 HN LEU 77 15.420 -39.725 31.120 1.00 37.06 ATOM 1203 CA LEU 77 14.180 -39.314 29.451 1.00 23.24 ATOM 1204 HA LEU 77 14.384 -38.508 28.757 1.00 2.30 ATOM 1205 CB LEU 77 14.706 -40.620 28.852 1.00 42.40 ATOM 1206 HB1 LEU 77 14.104 -40.872 27.985 1.00 37.06 ATOM 1207 HB2 LEU 77 14.559 -41.394 29.597 1.00 31.31 ATOM 1208 CG LEU 77 16.178 -40.623 28.437 1.00 10.22 ATOM 1209 HG LEU 77 16.760 -40.085 29.173 1.00 14.10 ATOM 1210 CD1 LEU 77 16.712 -42.045 28.376 1.00 62.31 ATOM 1211 HD11 LEU 77 16.160 -42.612 27.639 1.00 61.31 ATOM 1212 HD12 LEU 77 16.604 -42.514 29.344 1.00 14.31 ATOM 1213 HD13 LEU 77 17.759 -42.028 28.105 1.00 31.34 ATOM 1214 CD2 LEU 77 16.356 -39.926 27.096 1.00 34.10 ATOM 1215 HD21 LEU 77 15.997 -38.908 27.166 1.00 62.53 ATOM 1216 HD22 LEU 77 15.797 -40.451 26.334 1.00 55.14 ATOM 1217 HD23 LEU 77 17.404 -39.916 26.829 1.00 33.23 ATOM 1218 C LEU 77 12.673 -39.409 29.661 1.00 15.14 ATOM 1219 O LEU 77 11.890 -39.122 28.755 1.00 23.43 ATOM 1220 N SER 78 12.272 -39.811 30.863 1.00 12.14 ATOM 1221 HN SER 78 12.937 -40.061 31.536 1.00 37.06 ATOM 1222 CA SER 78 10.857 -39.945 31.192 1.00 5.34 ATOM 1223 HA SER 78 10.407 -40.614 30.482 1.00 12.25 ATOM 1224 CB SER 78 10.692 -40.530 32.596 1.00 71.40 ATOM 1225 HB1 SER 78 10.555 -39.735 33.303 1.00 37.06 ATOM 1226 HB2 SER 78 11.566 -41.097 32.867 1.00 44.31 ATOM 1227 OG SER 78 9.562 -41.383 32.663 1.00 54.41 ATOM 1228 HG SER 78 9.756 -42.141 33.221 1.00 1.42 ATOM 1229 C SER 78 10.149 -38.596 31.105 1.00 64.21 ATOM 1230 O SER 78 9.035 -38.500 30.593 1.00 71.20 ATOM 1231 N ASN 79 10.806 -37.556 31.609 1.00 30.41 ATOM 1232 HN ASN 79 11.691 -37.694 32.024 1.00 37.06 ATOM 1233 CA ASN 79 10.240 -36.212 31.589 1.00 21.42 ATOM 1234 HA ASN 79 9.375 -36.205 32.238 1.00 75.35 ATOM 1235 CB ASN 79 11.267 -35.197 32.094 1.00 50.43 ATOM 1236 HB1 ASN 79 10.952 -34.220 31.804 1.00 37.06 ATOM 1237 HB2 ASN 79 12.224 -35.416 31.655 1.00 62.42 ATOM 1238 CG ASN 79 11.397 -35.208 33.605 1.00 64.14 ATOM 1239 OD1 ASN 79 10.450 -35.538 34.318 1.00 21.20 ATOM 1240 ND2 ASN 79 12.575 -34.846 34.099 1.00 24.13 ATOM 1241 HD21 ASN 79 13.296 -34.591 33.480 1.00 74.32 ATOM 1242 HD22 ASN 79 12.681 -34.849 35.072 1.00 74.12 ATOM 1243 C ASN 79 9.783 -35.835 30.183 1.00 25.21 ATOM 1244 O ASN 79 8.692 -35.297 29.998 1.00 75.12 ATOM 1245 N ILE 80 10.626 -36.122 29.197 1.00 42.23 ATOM 1246 HN ILE 80 11.484 -36.562 29.405 1.00 37.06 ATOM 1247 CA ILE 80 10.308 -35.814 27.808 1.00 65.43 ATOM 1248 HA ILE 80 10.015 -34.771 27.749 1.00 45.23 ATOM 1249 CB ILE 80 11.528 -36.025 26.891 1.00 3.33 ATOM 1250 HB ILE 80 11.816 -37.062 26.960 1.00 72.15 ATOM 1251 CG1 ILE 80 12.694 -35.145 27.348 1.00 61.05 ATOM 1252 HG11 ILE 80 12.765 -35.149 28.426 1.00 37.06 ATOM 1253 HG12 ILE 80 12.537 -34.128 27.017 1.00 23.42 ATOM 1254 CG2 ILE 80 11.163 -35.722 25.446 1.00 62.02 ATOM 1255 HG21 ILE 80 10.514 -36.492 25.064 1.00 4.11 ATOM 1256 HG22 ILE 80 12.052 -35.691 24.844 1.00 40.13 ATOM 1257 HG23 ILE 80 10.660 -34.766 25.384 1.00 43.11 ATOM 1258 CD1 ILE 80 14.036 -35.598 26.817 1.00 4.21 ATOM 1259 HD11 ILE 80 14.795 -34.887 27.108 1.00 51.25 ATOM 1260 HD12 ILE 80 14.003 -35.668 25.741 1.00 44.42 ATOM 1261 HD13 ILE 80 14.277 -36.566 27.231 1.00 40.12 ATOM 1262 C ILE 80 9.154 -36.675 27.304 1.00 3.44 ATOM 1263 O ILE 80 8.166 -36.160 26.781 1.00 71.43 ATOM 1264 N ARG 81 9.286 -37.987 27.468 1.00 2.25 ATOM 1265 HN ARG 81 10.105 -38.340 27.893 1.00 37.06 ATOM 1266 CA ARG 81 8.254 -38.919 27.031 1.00 10.04 ATOM 1267 HA ARG 81 8.201 -38.889 25.959 1.00 0.11 ATOM 1268 CB ARG 81 8.603 -40.342 27.471 1.00 71.23 ATOM 1269 HB1 ARG 81 7.723 -40.970 27.371 1.00 37.06 ATOM 1270 HB2 ARG 81 8.898 -40.318 28.508 1.00 33.13 ATOM 1271 CG ARG 81 9.726 -40.971 26.663 1.00 45.22 ATOM 1272 HG1 ARG 81 10.648 -40.452 26.882 1.00 37.06 ATOM 1273 HG2 ARG 81 9.500 -40.879 25.610 1.00 13.34 ATOM 1274 CD ARG 81 9.897 -42.444 26.998 1.00 21.13 ATOM 1275 HD1 ARG 81 10.756 -42.823 26.464 1.00 37.06 ATOM 1276 HD2 ARG 81 9.012 -42.976 26.678 1.00 11.40 ATOM 1277 NE ARG 81 10.093 -42.661 28.429 1.00 15.43 ATOM 1278 HE ARG 81 10.156 -41.881 29.011 1.00 51.02 ATOM 1279 CZ ARG 81 10.210 -43.863 28.981 1.00 30.14 ATOM 1280 NH1 ARG 81 10.153 -44.951 28.226 1.00 35.33 ATOM 1281 HH11 ARG 81 10.022 -44.891 27.237 1.00 61.23 ATOM 1282 HH12 ARG 81 10.242 -45.855 28.651 1.00 5.43 ATOM 1283 NH2 ARG 81 10.386 -43.979 30.291 1.00 11.45 ATOM 1284 HH21 ARG 81 10.431 -43.161 30.868 1.00 71.41 ATOM 1285 HH22 ARG 81 10.474 -44.885 30.710 1.00 50.20 ATOM 1286 C ARG 81 6.891 -38.522 27.591 1.00 71.30 ATOM 1287 O ARG 81 5.887 -38.546 26.880 1.00 42.54 ATOM 1288 N GLU 82 6.865 -38.159 28.870 1.00 74.34 ATOM 1289 HN GLU 82 7.700 -38.174 29.392 1.00 37.06 ATOM 1290 CA GLU 82 5.625 -37.759 29.524 1.00 75.20 ATOM 1291 HA GLU 82 4.959 -38.612 29.512 1.00 13.12 ATOM 1292 CB GLU 82 5.898 -37.332 30.968 1.00 63.24 ATOM 1293 HB1 GLU 82 5.624 -36.302 31.091 1.00 37.06 ATOM 1294 HB2 GLU 82 6.947 -37.432 31.194 1.00 43.33 ATOM 1295 CG GLU 82 5.119 -38.133 31.997 1.00 11.23 ATOM 1296 HG1 GLU 82 4.063 -38.034 31.788 1.00 37.06 ATOM 1297 HG2 GLU 82 5.329 -37.732 32.978 1.00 12.32 ATOM 1298 CD GLU 82 5.483 -39.605 31.990 1.00 44.42 ATOM 1299 OE1 GLU 82 6.689 -39.918 32.073 1.00 62.31 ATOM 1300 OE2 GLU 82 4.562 -40.443 31.901 1.00 51.11 ATOM 1301 C GLU 82 4.951 -36.620 28.764 1.00 4.20 ATOM 1302 O GLU 82 3.780 -36.710 28.397 1.00 35.35 ATOM 1303 N PHE 83 5.701 -35.548 28.531 1.00 1.54 ATOM 1304 HN PHE 83 6.635 -35.534 28.852 1.00 37.06 ATOM 1305 CA PHE 83 5.178 -34.389 27.817 1.00 74.12 ATOM 1306 HA PHE 83 4.406 -33.942 28.427 1.00 64.11 ATOM 1307 CB PHE 83 6.287 -33.360 27.588 1.00 32.24 ATOM 1308 HB1 PHE 83 7.142 -33.860 27.151 1.00 37.06 ATOM 1309 HB2 PHE 83 6.578 -32.943 28.543 1.00 42.33 ATOM 1310 CG PHE 83 5.878 -32.228 26.690 1.00 65.24 ATOM 1311 CD1 PHE 83 6.382 -32.132 25.402 1.00 11.14 ATOM 1312 HD1 PHE 83 7.075 -32.881 25.042 1.00 54.24 ATOM 1313 CD2 PHE 83 4.992 -31.260 27.132 1.00 14.03 ATOM 1314 HD2 PHE 83 4.596 -31.323 28.134 1.00 30.41 ATOM 1315 CE1 PHE 83 6.008 -31.092 24.573 1.00 51.44 ATOM 1316 HE1 PHE 83 6.408 -31.028 23.572 1.00 75.43 ATOM 1317 CE2 PHE 83 4.614 -30.218 26.307 1.00 53.20 ATOM 1318 HE2 PHE 83 3.922 -29.470 26.664 1.00 62.20 ATOM 1319 CZ PHE 83 5.123 -30.133 25.026 1.00 4.20 ATOM 1320 HZ PHE 83 4.843 -29.330 24.378 1.00 4.33 ATOM 1321 C PHE 83 4.570 -34.804 26.480 1.00 51.20 ATOM 1322 O PHE 83 3.515 -34.307 26.083 1.00 0.55 ATOM 1323 N LEU 84 5.243 -35.717 25.789 1.00 31.31 ATOM 1324 HN LEU 84 6.074 -36.092 26.164 1.00 37.06 ATOM 1325 CA LEU 84 4.771 -36.200 24.496 1.00 52.31 ATOM 1326 HA LEU 84 4.515 -35.344 23.884 1.00 44.23 ATOM 1327 CB LEU 84 5.874 -36.991 23.791 1.00 72.01 ATOM 1328 HB1 LEU 84 5.530 -37.243 22.795 1.00 37.06 ATOM 1329 HB2 LEU 84 6.006 -37.919 24.341 1.00 61.34 ATOM 1330 CG LEU 84 7.235 -36.301 23.689 1.00 15.10 ATOM 1331 HG LEU 84 7.414 -35.703 24.565 1.00 43.02 ATOM 1332 CD1 LEU 84 8.350 -37.331 23.606 1.00 5.22 ATOM 1333 HD11 LEU 84 8.053 -38.157 22.974 1.00 34.22 ATOM 1334 HD12 LEU 84 8.561 -37.695 24.588 1.00 34.22 ATOM 1335 HD13 LEU 84 9.250 -36.881 23.205 1.00 5.12 ATOM 1336 CD2 LEU 84 7.273 -35.372 22.484 1.00 73.40 ATOM 1337 HD21 LEU 84 6.431 -35.549 21.834 1.00 51.31 ATOM 1338 HD22 LEU 84 8.183 -35.522 21.931 1.00 72.45 ATOM 1339 HD23 LEU 84 7.235 -34.351 22.833 1.00 31.13 ATOM 1340 C LEU 84 3.530 -37.071 24.660 1.00 74.02 ATOM 1341 O LEU 84 2.701 -37.165 23.754 1.00 0.01 ATOM 1342 N ARG 85 3.407 -37.705 25.822 1.00 50.34 ATOM 1343 HN ARG 85 4.111 -37.626 26.494 1.00 37.06 ATOM 1344 CA ARG 85 2.266 -38.567 26.105 1.00 63.44 ATOM 1345 HA ARG 85 2.138 -39.241 25.265 1.00 3.22 ATOM 1346 CB ARG 85 2.523 -39.390 27.369 1.00 40.32 ATOM 1347 HB1 ARG 85 2.325 -38.774 28.238 1.00 37.06 ATOM 1348 HB2 ARG 85 3.568 -39.670 27.395 1.00 54.52 ATOM 1349 CG ARG 85 1.657 -40.635 27.472 1.00 42.32 ATOM 1350 HG1 ARG 85 0.921 -40.645 26.677 1.00 37.06 ATOM 1351 HG2 ARG 85 1.150 -40.626 28.425 1.00 22.45 ATOM 1352 CD ARG 85 2.492 -41.903 27.382 1.00 12.32 ATOM 1353 HD1 ARG 85 1.829 -42.748 27.264 1.00 37.06 ATOM 1354 HD2 ARG 85 3.051 -42.009 28.301 1.00 31.35 ATOM 1355 NE ARG 85 3.422 -41.867 26.257 1.00 73.54 ATOM 1356 HE ARG 85 3.347 -41.127 25.611 1.00 13.12 ATOM 1357 CZ ARG 85 4.354 -42.790 26.044 1.00 11.32 ATOM 1358 NH1 ARG 85 4.479 -43.814 26.876 1.00 21.34 ATOM 1359 HH11 ARG 85 3.883 -43.915 27.671 1.00 3.35 ATOM 1360 HH12 ARG 85 5.185 -44.505 26.708 1.00 61.15 ATOM 1361 NH2 ARG 85 5.163 -42.688 24.997 1.00 32.43 ATOM 1362 HH21 ARG 85 5.074 -41.916 24.365 1.00 42.43 ATOM 1363 HH22 ARG 85 5.867 -43.383 24.834 1.00 11.35 ATOM 1364 C ARG 85 0.991 -37.746 26.270 1.00 40.15 ATOM 1365 O ARG 85 -0.092 -38.175 25.873 1.00 24.11 ATOM 1366 N GLY 86 1.128 -36.562 26.858 1.00 11.43 ATOM 1367 HN GLY 86 2.008 -36.262 27.176 1.00 37.06 ATOM 1368 CA GLY 86 -0.021 -35.699 27.066 1.00 63.30 ATOM 1369 HA1 GLY 86 0.211 -35.009 27.854 1.00 37.06 ATOM 1370 HA2 GLY 86 -0.875 -36.293 27.370 1.00 21.32 ATOM 1371 C GLY 86 -0.387 -34.912 25.823 1.00 32.43 ATOM 1372 O GLY 86 -1.521 -34.984 25.347 1.00 42.10 ATOM 1373 N CYS 87 0.572 -34.159 25.298 1.00 43.11 ATOM 1374 HN CYS 87 1.461 -34.142 25.728 1.00 37.06 ATOM 1375 CA CYS 87 0.344 -33.353 24.104 1.00 51.21 ATOM 1376 HA CYS 87 -0.402 -32.607 24.344 1.00 61.14 ATOM 1377 CB CYS 87 1.640 -32.664 23.673 1.00 55.11 ATOM 1378 HB1 CYS 87 1.640 -32.515 22.599 1.00 37.06 ATOM 1379 HB2 CYS 87 2.484 -33.285 23.938 1.00 72.11 ATOM 1380 SG CYS 87 1.901 -31.043 24.431 1.00 62.23 ATOM 1381 HG CYS 87 0.713 -30.512 24.681 1.00 43.34 ATOM 1382 C CYS 87 -0.194 -34.211 22.963 1.00 1.23 ATOM 1383 O CYS 87 -1.073 -33.786 22.215 1.00 34.51 ATOM 1384 N GLY 88 0.343 -35.421 22.836 1.00 53.33 ATOM 1385 HN GLY 88 1.055 -35.717 23.446 1.00 37.06 ATOM 1386 CA GLY 88 -0.094 -36.319 21.783 1.00 53.32 ATOM 1387 HA1 GLY 88 0.687 -37.043 21.605 1.00 37.06 ATOM 1388 HA2 GLY 88 -0.258 -35.760 20.871 1.00 65.13 ATOM 1389 C GLY 88 -1.365 -37.062 22.145 1.00 43.01 ATOM 1390 O GLY 88 -1.924 -37.787 21.322 1.00 3.32 ATOM 1391 N ALA 89 -1.821 -36.884 23.380 1.00 11.42 ATOM 1392 HN ALA 89 -1.343 -36.321 24.000 1.00 37.06 ATOM 1393 CA ALA 89 -3.034 -37.543 23.849 1.00 4.23 ATOM 1394 HA ALA 89 -3.136 -38.495 23.340 1.00 52.21 ATOM 1395 CB ALA 89 -2.935 -37.830 25.340 1.00 11.02 ATOM 1396 HB1 ALA 89 -2.341 -38.716 25.488 1.00 55.35 ATOM 1397 HB2 ALA 89 -3.921 -38.001 25.754 1.00 44.24 ATOM 1398 HB3 ALA 89 -2.476 -37.004 25.850 1.00 33.22 ATOM 1399 C ALA 89 -4.268 -36.698 23.552 1.00 61.23 ATOM 1400 O ALA 89 -5.163 -37.126 22.823 1.00 14.43 ATOM 1401 N SER 90 -4.309 -35.497 24.120 1.00 21.55 ATOM 1402 HN SER 90 -3.552 -35.201 24.681 1.00 37.06 ATOM 1403 CA SER 90 -5.436 -34.595 23.919 1.00 11.55 ATOM 1404 HA SER 90 -6.348 -35.179 23.906 1.00 61.32 ATOM 1405 CB SER 90 -5.521 -33.588 25.068 1.00 14.32 ATOM 1406 HB1 SER 90 -4.617 -32.998 25.107 1.00 37.06 ATOM 1407 HB2 SER 90 -5.637 -34.123 25.999 1.00 44.33 ATOM 1408 OG SER 90 -6.631 -32.721 24.906 1.00 61.34 ATOM 1409 HG SER 90 -6.390 -31.990 24.331 1.00 41.10 ATOM 1410 C SER 90 -5.311 -33.857 22.590 1.00 42.11 ATOM 1411 O SER 90 -6.135 -34.030 21.690 1.00 5.35 ATOM 1412 N LEU 91 -4.275 -33.034 22.473 1.00 42.33 ATOM 1413 HN LEU 91 -3.634 -32.954 23.218 1.00 37.06 ATOM 1414 CA LEU 91 -4.040 -32.268 21.253 1.00 22.33 ATOM 1415 HA LEU 91 -4.945 -31.719 21.018 1.00 3.10 ATOM 1416 CB LEU 91 -2.892 -31.279 21.462 1.00 52.30 ATOM 1417 HB1 LEU 91 -2.360 -31.169 20.526 1.00 37.06 ATOM 1418 HB2 LEU 91 -2.207 -31.711 22.178 1.00 10.20 ATOM 1419 CG LEU 91 -3.288 -29.886 21.953 1.00 10.20 ATOM 1420 HG LEU 91 -4.153 -29.962 22.599 1.00 54.13 ATOM 1421 CD1 LEU 91 -2.162 -29.266 22.765 1.00 23.14 ATOM 1422 HD11 LEU 91 -1.296 -29.116 22.140 1.00 12.54 ATOM 1423 HD12 LEU 91 -1.902 -29.920 23.586 1.00 61.14 ATOM 1424 HD13 LEU 91 -2.486 -28.314 23.161 1.00 64.34 ATOM 1425 CD2 LEU 91 -3.656 -28.991 20.778 1.00 2.25 ATOM 1426 HD21 LEU 91 -3.681 -27.954 21.086 1.00 13.41 ATOM 1427 HD22 LEU 91 -4.632 -29.274 20.412 1.00 31.21 ATOM 1428 HD23 LEU 91 -2.935 -29.120 19.990 1.00 22.15 ATOM 1429 C LEU 91 -3.722 -33.193 20.083 1.00 73.24 ATOM 1430 O LEU 91 -4.079 -32.908 18.939 1.00 22.32 ATOM 1431 N ARG 92 -3.052 -34.302 20.376 1.00 22.44 ATOM 1432 HN ARG 92 -2.771 -34.483 21.299 1.00 37.06 ATOM 1433 CA ARG 92 -2.687 -35.270 19.348 1.00 14.24 ATOM 1434 HA ARG 92 -2.111 -36.044 19.805 1.00 14.12 ATOM 1435 CB ARG 92 -3.944 -35.873 18.718 1.00 64.42 ATOM 1436 HB1 ARG 92 -3.723 -36.228 17.718 1.00 37.06 ATOM 1437 HB2 ARG 92 -4.714 -35.125 18.641 1.00 35.25 ATOM 1438 CG ARG 92 -4.521 -37.038 19.505 1.00 31.14 ATOM 1439 HG1 ARG 92 -5.582 -37.099 19.307 1.00 37.06 ATOM 1440 HG2 ARG 92 -4.365 -36.872 20.560 1.00 53.14 ATOM 1441 CD ARG 92 -3.867 -38.354 19.114 1.00 30.01 ATOM 1442 HD1 ARG 92 -3.904 -39.026 19.959 1.00 37.06 ATOM 1443 HD2 ARG 92 -2.828 -38.178 18.859 1.00 32.24 ATOM 1444 NE ARG 92 -4.529 -38.975 17.970 1.00 31.52 ATOM 1445 HE ARG 92 -4.082 -38.905 17.098 1.00 73.44 ATOM 1446 CZ ARG 92 -5.688 -39.620 18.053 1.00 65.32 ATOM 1447 NH1 ARG 92 -6.309 -39.727 19.219 1.00 22.31 ATOM 1448 HH11 ARG 92 -5.932 -39.332 20.052 1.00 72.23 ATOM 1449 HH12 ARG 92 -7.182 -40.217 19.269 1.00 23.33 ATOM 1450 NH2 ARG 92 -6.227 -40.159 16.967 1.00 70.31 ATOM 1451 HH21 ARG 92 -5.762 -40.081 16.082 1.00 64.42 ATOM 1452 HH22 ARG 92 -7.101 -40.646 17.026 1.00 64.30 ATOM 1453 C ARG 92 -1.826 -34.619 18.270 1.00 53.30 ATOM 1454 O ARG 92 -1.806 -35.066 17.122 1.00 14.14 ATOM 1455 N LEU 93 -1.117 -33.560 18.646 1.00 62.52 ATOM 1456 HN LEU 93 -1.139 -33.270 19.581 1.00 37.06 ATOM 1457 CA LEU 93 -0.254 -32.847 17.711 1.00 43.21 ATOM 1458 HA LEU 93 -0.819 -32.648 16.809 1.00 74.13 ATOM 1459 CB LEU 93 0.190 -31.512 18.313 1.00 71.32 ATOM 1460 HB1 LEU 93 -0.711 -30.932 18.469 1.00 37.06 ATOM 1461 HB2 LEU 93 0.791 -30.983 17.585 1.00 2.24 ATOM 1462 CG LEU 93 0.945 -31.593 19.640 1.00 11.51 ATOM 1463 HG LEU 93 0.692 -32.507 20.157 1.00 71.41 ATOM 1464 CD1 LEU 93 2.446 -31.609 19.400 1.00 65.11 ATOM 1465 HD11 LEU 93 2.734 -32.611 19.165 1.00 54.43 ATOM 1466 HD12 LEU 93 2.971 -31.298 20.295 1.00 50.13 ATOM 1467 HD13 LEU 93 2.713 -30.951 18.583 1.00 41.55 ATOM 1468 CD2 LEU 93 0.560 -30.430 20.544 1.00 62.04 ATOM 1469 HD21 LEU 93 -0.501 -30.401 20.664 1.00 25.40 ATOM 1470 HD22 LEU 93 0.892 -29.500 20.103 1.00 32.44 ATOM 1471 HD23 LEU 93 1.026 -30.555 21.511 1.00 1.12 ATOM 1472 C LEU 93 0.968 -33.685 17.349 1.00 72.43 ATOM 1473 O LEU 93 1.119 -34.813 17.817 1.00 32.12 ATOM 1474 N GLU 94 1.837 -33.125 16.514 1.00 64.34 ATOM 1475 HN GLU 94 1.672 -32.212 16.194 1.00 37.06 ATOM 1476 CA GLU 94 3.046 -33.822 16.090 1.00 4.13 ATOM 1477 HA GLU 94 2.760 -34.808 15.742 1.00 71.11 ATOM 1478 CB GLU 94 3.713 -33.075 14.933 1.00 62.50 ATOM 1479 HB1 GLU 94 4.446 -33.723 14.476 1.00 37.06 ATOM 1480 HB2 GLU 94 4.212 -32.193 15.314 1.00 0.43 ATOM 1481 CG GLU 94 2.739 -32.627 13.856 1.00 22.23 ATOM 1482 HG1 GLU 94 3.306 -32.299 12.997 1.00 37.06 ATOM 1483 HG2 GLU 94 2.152 -31.803 14.227 1.00 64.54 ATOM 1484 CD GLU 94 1.804 -33.737 13.417 1.00 62.02 ATOM 1485 OE1 GLU 94 0.637 -33.742 13.861 1.00 4.54 ATOM 1486 OE2 GLU 94 2.240 -34.601 12.627 1.00 30.23 ATOM 1487 C GLU 94 4.027 -33.964 17.251 1.00 42.32 ATOM 1488 O GLU 94 4.475 -32.971 17.826 1.00 42.03 ATOM 1489 N THR 95 4.357 -35.206 17.591 1.00 12.11 ATOM 1490 HN THR 95 3.979 -35.967 17.092 1.00 37.06 ATOM 1491 CA THR 95 5.282 -35.479 18.683 1.00 23.12 ATOM 1492 HA THR 95 5.404 -34.584 19.284 1.00 53.33 ATOM 1493 CB THR 95 4.750 -36.592 19.606 1.00 60.15 ATOM 1494 HB THR 95 5.445 -36.744 20.417 1.00 72.03 ATOM 1495 OG1 THR 95 4.621 -37.816 18.873 1.00 42.31 ATOM 1496 HG1 THR 95 4.668 -38.562 19.477 1.00 2.54 ATOM 1497 CG2 THR 95 3.403 -36.206 20.198 1.00 3.23 ATOM 1498 HG21 THR 95 2.687 -36.054 19.403 1.00 60.21 ATOM 1499 HG22 THR 95 3.505 -35.295 20.770 1.00 30.12 ATOM 1500 HG23 THR 95 3.057 -36.998 20.846 1.00 15.43 ATOM 1501 C THR 95 6.653 -35.886 18.154 1.00 52.41 ATOM 1502 O THR 95 6.855 -35.995 16.944 1.00 12.23 ATOM 1503 N PHE 96 7.592 -36.109 19.067 1.00 61.41 ATOM 1504 HN PHE 96 7.385 -35.990 20.004 1.00 37.06 ATOM 1505 CA PHE 96 8.945 -36.504 18.691 1.00 33.03 ATOM 1506 HA PHE 96 8.910 -37.022 17.740 1.00 61.00 ATOM 1507 CB PHE 96 9.837 -35.270 18.545 1.00 11.41 ATOM 1508 HB1 PHE 96 9.401 -34.613 17.804 1.00 37.06 ATOM 1509 HB2 PHE 96 10.816 -35.580 18.198 1.00 43.05 ATOM 1510 CG PHE 96 9.999 -34.493 19.820 1.00 12.52 ATOM 1511 CD1 PHE 96 8.975 -33.685 20.290 1.00 63.13 ATOM 1512 HD1 PHE 96 8.051 -33.619 19.734 1.00 62.23 ATOM 1513 CD2 PHE 96 11.174 -34.570 20.550 1.00 42.13 ATOM 1514 HD2 PHE 96 11.979 -35.185 20.192 1.00 43.13 ATOM 1515 CE1 PHE 96 9.122 -32.969 21.462 1.00 2.53 ATOM 1516 HE1 PHE 96 8.318 -32.344 21.818 1.00 71.21 ATOM 1517 CE2 PHE 96 11.327 -33.856 21.723 1.00 13.14 ATOM 1518 HE2 PHE 96 12.239 -33.929 22.282 1.00 30.04 ATOM 1519 CZ PHE 96 10.299 -33.055 22.181 1.00 53.03 ATOM 1520 HZ PHE 96 10.416 -32.496 23.098 1.00 51.21 ATOM 1521 C PHE 96 9.540 -37.456 19.724 1.00 21.23 ATOM 1522 O PHE 96 8.960 -37.678 20.787 1.00 13.12 ATOM 1523 N ASP 97 10.701 -38.017 19.404 1.00 41.54 ATOM 1524 HN ASP 97 11.127 -37.789 18.543 1.00 37.06 ATOM 1525 CA ASP 97 11.376 -38.945 20.303 1.00 45.21 ATOM 1526 HA ASP 97 10.618 -39.497 20.851 1.00 14.00 ATOM 1527 CB ASP 97 12.241 -39.923 19.506 1.00 41.32 ATOM 1528 HB1 ASP 97 13.117 -40.200 20.080 1.00 37.06 ATOM 1529 HB2 ASP 97 12.558 -39.464 18.585 1.00 12.14 ATOM 1530 CG ASP 97 11.499 -41.197 19.154 1.00 63.21 ATOM 1531 OD1 ASP 97 11.690 -41.704 18.028 1.00 1.32 ATOM 1532 OD2 ASP 97 10.729 -41.689 20.004 1.00 14.45 ATOM 1533 C ASP 97 12.237 -38.193 21.314 1.00 71.03 ATOM 1534 O ASP 97 12.843 -37.172 20.990 1.00 62.30 ATOM 1535 N ALA 98 12.284 -38.705 22.539 1.00 2.34 ATOM 1536 HN ALA 98 11.783 -39.533 22.736 1.00 37.06 ATOM 1537 CA ALA 98 13.071 -38.082 23.597 1.00 33.41 ATOM 1538 HA ALA 98 12.867 -37.023 23.593 1.00 10.22 ATOM 1539 CB ALA 98 12.664 -38.638 24.954 1.00 52.01 ATOM 1540 HB1 ALA 98 13.245 -38.163 25.732 1.00 2.22 ATOM 1541 HB2 ALA 98 12.837 -39.704 24.975 1.00 31.44 ATOM 1542 HB3 ALA 98 11.615 -38.443 25.121 1.00 13.52 ATOM 1543 C ALA 98 14.564 -38.289 23.365 1.00 74.00 ATOM 1544 O ALA 98 15.388 -37.505 23.832 1.00 2.31 ATOM 1545 N ASN 99 14.904 -39.350 22.641 1.00 71.32 ATOM 1546 HN ASN 99 14.202 -39.940 22.286 1.00 37.06 ATOM 1547 CA ASN 99 16.299 -39.660 22.348 1.00 74.50 ATOM 1548 HA ASN 99 16.829 -39.751 23.287 1.00 72.04 ATOM 1549 CB ASN 99 16.400 -40.989 21.596 1.00 42.02 ATOM 1550 HB1 ASN 99 17.441 -41.262 21.497 1.00 37.06 ATOM 1551 HB2 ASN 99 15.964 -40.880 20.611 1.00 42.44 ATOM 1552 CG ASN 99 15.677 -42.114 22.310 1.00 73.42 ATOM 1553 OD1 ASN 99 14.694 -42.655 21.803 1.00 35.13 ATOM 1554 ND2 ASN 99 16.162 -42.472 23.493 1.00 34.41 ATOM 1555 HD21 ASN 99 16.951 -42.004 23.849 1.00 71.14 ATOM 1556 HD22 ASN 99 15.709 -43.198 23.971 1.00 14.22 ATOM 1557 C ASN 99 16.942 -38.548 21.527 1.00 45.44 ATOM 1558 O ASN 99 17.986 -38.012 21.899 1.00 4.30 ATOM 1559 N ASP 100 16.313 -38.205 20.408 1.00 35.23 ATOM 1560 HN ASP 100 15.487 -38.685 20.158 1.00 37.06 ATOM 1561 CA ASP 100 16.822 -37.155 19.534 1.00 4.04 ATOM 1562 HA ASP 100 17.786 -37.470 19.160 1.00 63.22 ATOM 1563 CB ASP 100 15.878 -36.944 18.350 1.00 13.02 ATOM 1564 HB1 ASP 100 15.838 -37.851 17.765 1.00 37.06 ATOM 1565 HB2 ASP 100 16.252 -36.143 17.735 1.00 50.51 ATOM 1566 CG ASP 100 14.470 -36.590 18.788 1.00 3.44 ATOM 1567 OD1 ASP 100 13.542 -37.372 18.494 1.00 41.22 ATOM 1568 OD2 ASP 100 14.297 -35.531 19.427 1.00 40.43 ATOM 1569 C ASP 100 16.997 -35.848 20.301 1.00 43.42 ATOM 1570 O ASP 100 17.809 -35.000 19.927 1.00 53.25 ATOM 1571 N LEU 101 16.231 -35.690 21.374 1.00 33.12 ATOM 1572 HN LEU 101 15.562 -36.370 21.610 1.00 37.06 ATOM 1573 CA LEU 101 16.300 -34.485 22.194 1.00 73.14 ATOM 1574 HA LEU 101 16.524 -33.646 21.549 1.00 41.11 ATOM 1575 CB LEU 101 14.956 -34.233 22.879 1.00 55.33 ATOM 1576 HB1 LEU 101 14.638 -35.157 23.343 1.00 37.06 ATOM 1577 HB2 LEU 101 14.248 -33.977 22.108 1.00 21.14 ATOM 1578 CG LEU 101 14.939 -33.131 23.938 1.00 12.45 ATOM 1579 HG LEU 101 15.600 -33.400 24.749 1.00 2.25 ATOM 1580 CD1 LEU 101 15.427 -31.816 23.350 1.00 61.35 ATOM 1581 HD11 LEU 101 15.692 -31.918 22.312 1.00 54.32 ATOM 1582 HD12 LEU 101 16.297 -31.489 23.898 1.00 52.22 ATOM 1583 HD13 LEU 101 14.661 -31.062 23.436 1.00 4.43 ATOM 1584 CD2 LEU 101 13.541 -32.970 24.519 1.00 24.42 ATOM 1585 HD21 LEU 101 13.589 -32.348 25.390 1.00 15.50 ATOM 1586 HD22 LEU 101 13.148 -33.929 24.798 1.00 41.45 ATOM 1587 HD23 LEU 101 12.886 -32.514 23.789 1.00 13.03 ATOM 1588 C LEU 101 17.403 -34.601 23.240 1.00 1.24 ATOM 1589 O LEU 101 18.121 -33.637 23.510 1.00 60.45 ATOM 1590 N TYR 102 17.534 -35.786 23.826 1.00 52.11 ATOM 1591 HN TYR 102 16.928 -36.522 23.576 1.00 37.06 ATOM 1592 CA TYR 102 18.550 -36.028 24.843 1.00 13.14 ATOM 1593 HA TYR 102 18.466 -35.242 25.581 1.00 43.34 ATOM 1594 CB TYR 102 18.320 -37.385 25.511 1.00 42.03 ATOM 1595 HB1 TYR 102 18.711 -38.176 24.879 1.00 37.06 ATOM 1596 HB2 TYR 102 17.255 -37.535 25.635 1.00 64.01 ATOM 1597 CG TYR 102 18.948 -37.500 26.881 1.00 4.22 ATOM 1598 CD1 TYR 102 18.674 -36.566 27.873 1.00 32.21 ATOM 1599 HD1 TYR 102 17.999 -35.749 27.659 1.00 41.43 ATOM 1600 CD2 TYR 102 19.817 -38.541 27.184 1.00 10.01 ATOM 1601 HD2 TYR 102 20.044 -39.278 26.426 1.00 61.04 ATOM 1602 CE1 TYR 102 19.246 -36.667 29.127 1.00 52.44 ATOM 1603 HE1 TYR 102 19.017 -35.933 29.885 1.00 61.22 ATOM 1604 CE2 TYR 102 20.392 -38.650 28.435 1.00 24.12 ATOM 1605 HE2 TYR 102 21.069 -39.462 28.643 1.00 72.14 ATOM 1606 CZ TYR 102 20.104 -37.710 29.403 1.00 70.41 ATOM 1607 OH TYR 102 20.676 -37.815 30.650 1.00 43.21 ATOM 1608 HH TYR 102 21.607 -37.576 30.604 1.00 65.34 ATOM 1609 C TYR 102 19.949 -35.976 24.239 1.00 65.13 ATOM 1610 O TYR 102 20.807 -35.220 24.696 1.00 75.52 ATOM 1611 N GLN 103 20.172 -36.785 23.208 1.00 71.01 ATOM 1612 HN GLN 103 19.440 -37.361 22.879 1.00 37.06 ATOM 1613 CA GLN 103 21.467 -36.832 22.540 1.00 41.01 ATOM 1614 HA GLN 103 22.244 -36.822 23.296 1.00 52.53 ATOM 1615 CB GLN 103 21.596 -38.118 21.721 1.00 0.50 ATOM 1616 HB1 GLN 103 22.492 -38.074 21.113 1.00 37.06 ATOM 1617 HB2 GLN 103 20.739 -38.188 21.066 1.00 34.43 ATOM 1618 CG GLN 103 21.637 -39.378 22.570 1.00 72.02 ATOM 1619 HG1 GLN 103 21.314 -40.209 21.960 1.00 37.06 ATOM 1620 HG2 GLN 103 20.958 -39.270 23.407 1.00 4.43 ATOM 1621 CD GLN 103 23.026 -39.683 23.096 1.00 54.15 ATOM 1622 OE1 GLN 103 24.028 -39.367 22.454 1.00 70.21 ATOM 1623 NE2 GLN 103 23.092 -40.300 24.269 1.00 22.14 ATOM 1624 HE21 GLN 103 22.258 -40.529 24.738 1.00 32.14 ATOM 1625 HE22 GLN 103 23.981 -40.506 24.626 1.00 12.05 ATOM 1626 C GLN 103 21.658 -35.618 21.636 1.00 30.23 ATOM 1627 O GLN 103 22.779 -35.287 21.253 1.00 22.31 ATOM 1628 N GLY 104 20.554 -34.958 21.299 1.00 61.10 ATOM 1629 HN GLY 104 19.673 -35.262 21.601 1.00 37.06 ATOM 1630 CA GLY 104 20.622 -33.789 20.442 1.00 13.45 ATOM 1631 HA1 GLY 104 21.359 -33.098 20.831 1.00 37.06 ATOM 1632 HA2 GLY 104 19.657 -33.303 20.445 1.00 32.22 ATOM 1633 C GLY 104 20.983 -34.137 19.012 1.00 32.52 ATOM 1634 O GLY 104 21.813 -33.470 18.395 1.00 35.31 ATOM 1635 N GLN 105 20.359 -35.186 18.485 1.00 24.43 ATOM 1636 HN GLN 105 19.684 -35.670 19.018 1.00 37.06 ATOM 1637 CA GLN 105 20.622 -35.624 17.119 1.00 2.43 ATOM 1638 HA GLN 105 21.657 -35.411 16.878 1.00 2.02 ATOM 1639 CB GLN 105 20.398 -37.131 16.992 1.00 63.41 ATOM 1640 HB1 GLN 105 20.816 -37.457 16.049 1.00 37.06 ATOM 1641 HB2 GLN 105 19.333 -37.335 16.995 1.00 3.42 ATOM 1642 CG GLN 105 21.027 -37.937 18.117 1.00 24.11 ATOM 1643 HG1 GLN 105 20.297 -38.046 18.906 1.00 37.06 ATOM 1644 HG2 GLN 105 21.891 -37.409 18.504 1.00 65.54 ATOM 1645 CD GLN 105 21.459 -39.321 17.673 1.00 10.14 ATOM 1646 OE1 GLN 105 20.637 -40.229 17.547 1.00 23.43 ATOM 1647 NE2 GLN 105 22.754 -39.489 17.434 1.00 42.14 ATOM 1648 HE21 GLN 105 23.367 -38.728 17.551 1.00 34.33 ATOM 1649 HE22 GLN 105 23.052 -40.377 17.146 1.00 32.23 ATOM 1650 C GLN 105 19.732 -34.880 16.129 1.00 41.00 ATOM 1651 O GLN 105 20.191 -34.440 15.076 1.00 5.10 ATOM 1652 N ASN 106 18.456 -34.744 16.474 1.00 31.13 ATOM 1653 HN ASN 106 18.133 -35.128 17.321 1.00 37.06 ATOM 1654 CA ASN 106 17.501 -34.054 15.615 1.00 73.32 ATOM 1655 HA ASN 106 18.038 -33.537 14.826 1.00 21.51 ATOM 1656 CB ASN 106 16.534 -35.058 14.984 1.00 55.14 ATOM 1657 HB1 ASN 106 15.620 -34.557 14.709 1.00 37.06 ATOM 1658 HB2 ASN 106 16.308 -35.839 15.689 1.00 60.43 ATOM 1659 CG ASN 106 17.101 -35.700 13.733 1.00 44.14 ATOM 1660 OD1 ASN 106 18.217 -35.390 13.314 1.00 53.42 ATOM 1661 ND2 ASN 106 16.334 -36.600 13.129 1.00 21.34 ATOM 1662 HD21 ASN 106 15.450 -36.809 13.509 1.00 72.44 ATOM 1663 HD22 ASN 106 16.683 -37.026 12.319 1.00 71.51 ATOM 1664 C ASN 106 16.721 -33.005 16.401 1.00 52.33 ATOM 1665 O ASN 106 15.713 -33.312 17.037 1.00 75.22 ATOM 1666 N PHE 107 17.194 -31.764 16.352 1.00 44.05 ATOM 1667 HN PHE 107 18.001 -31.575 15.815 1.00 37.06 ATOM 1668 CA PHE 107 16.542 -30.668 17.059 1.00 61.21 ATOM 1669 HA PHE 107 16.223 -31.036 18.026 1.00 2.35 ATOM 1670 CB PHE 107 17.522 -29.511 17.265 1.00 71.13 ATOM 1671 HB1 PHE 107 17.815 -29.117 16.299 1.00 37.06 ATOM 1672 HB2 PHE 107 18.400 -29.888 17.771 1.00 10.24 ATOM 1673 CG PHE 107 16.963 -28.393 18.097 1.00 32.15 ATOM 1674 CD1 PHE 107 16.369 -28.654 19.322 1.00 50.20 ATOM 1675 HD1 PHE 107 16.309 -29.671 19.684 1.00 61.34 ATOM 1676 CD2 PHE 107 17.031 -27.082 17.656 1.00 5.42 ATOM 1677 HD2 PHE 107 17.491 -26.862 16.702 1.00 13.33 ATOM 1678 CE1 PHE 107 15.853 -27.627 20.090 1.00 40.13 ATOM 1679 HE1 PHE 107 15.392 -27.843 21.043 1.00 62.05 ATOM 1680 CE2 PHE 107 16.518 -26.050 18.420 1.00 74.42 ATOM 1681 HE2 PHE 107 16.575 -25.035 18.062 1.00 44.40 ATOM 1682 CZ PHE 107 15.929 -26.324 19.639 1.00 55.53 ATOM 1683 HZ PHE 107 15.519 -25.525 20.224 1.00 52.44 ATOM 1684 C PHE 107 15.315 -30.181 16.294 1.00 43.43 ATOM 1685 O PHE 107 14.378 -29.641 16.881 1.00 65.32 ATOM 1686 N ASN 108 15.330 -30.374 14.979 1.00 71.41 ATOM 1687 HN ASN 108 16.129 -30.763 14.557 1.00 37.06 ATOM 1688 CA ASN 108 14.220 -29.954 14.132 1.00 54.20 ATOM 1689 HA ASN 108 14.174 -28.875 14.154 1.00 72.42 ATOM 1690 CB ASN 108 14.449 -30.411 12.690 1.00 43.41 ATOM 1691 HB1 ASN 108 15.270 -29.843 12.276 1.00 37.06 ATOM 1692 HB2 ASN 108 13.562 -30.217 12.099 1.00 22.42 ATOM 1693 CG ASN 108 14.803 -31.883 12.599 1.00 15.51 ATOM 1694 OD1 ASN 108 15.865 -32.307 13.054 1.00 50.40 ATOM 1695 ND2 ASN 108 13.910 -32.670 12.009 1.00 45.52 ATOM 1696 HD21 ASN 108 13.076 -32.278 11.664 1.00 71.32 ATOM 1697 HD22 ASN 108 14.121 -33.625 11.940 1.00 1.41 ATOM 1698 C ASN 108 12.898 -30.513 14.650 1.00 60.00 ATOM 1699 O ASN 108 11.928 -29.777 14.832 1.00 51.03 ATOM 1700 N LYS 109 12.867 -31.820 14.887 1.00 63.13 ATOM 1701 HN LYS 109 13.693 -32.337 14.802 1.00 37.06 ATOM 1702 CA LYS 109 11.667 -32.480 15.386 1.00 54.22 ATOM 1703 HA LYS 109 10.883 -32.350 14.653 1.00 73.54 ATOM 1704 CB LYS 109 11.923 -33.977 15.574 1.00 1.31 ATOM 1705 HB1 LYS 109 10.975 -34.462 15.769 1.00 37.06 ATOM 1706 HB2 LYS 109 12.576 -34.123 16.426 1.00 31.23 ATOM 1707 CG LYS 109 12.572 -34.639 14.371 1.00 53.22 ATOM 1708 HG1 LYS 109 13.618 -34.395 14.354 1.00 37.06 ATOM 1709 HG2 LYS 109 12.103 -34.273 13.467 1.00 54.41 ATOM 1710 CD LYS 109 12.414 -36.150 14.413 1.00 5.53 ATOM 1711 HD1 LYS 109 12.825 -36.567 13.505 1.00 37.06 ATOM 1712 HD2 LYS 109 11.364 -36.398 14.480 1.00 13.21 ATOM 1713 CE LYS 109 13.142 -36.752 15.605 1.00 22.32 ATOM 1714 HE1 LYS 109 12.556 -36.561 16.489 1.00 37.06 ATOM 1715 HE2 LYS 109 14.115 -36.288 15.708 1.00 41.34 ATOM 1716 NZ LYS 109 13.330 -38.222 15.455 1.00 44.11 ATOM 1717 HZ1 LYS 109 13.830 -38.602 16.284 1.00 2.51 ATOM 1718 HZ2 LYS 109 13.892 -38.431 14.604 1.00 73.23 ATOM 1719 HZ3 LYS 109 12.407 -38.699 15.375 1.00 44.11 ATOM 1720 C LYS 109 11.214 -31.861 16.704 1.00 30.04 ATOM 1721 O LYS 109 10.018 -31.691 16.944 1.00 45.11 ATOM 1722 N VAL 110 12.177 -31.525 17.557 1.00 42.34 ATOM 1723 HN VAL 110 13.115 -31.656 17.295 1.00 37.06 ATOM 1724 CA VAL 110 11.878 -30.922 18.850 1.00 75.00 ATOM 1725 HA VAL 110 11.150 -31.549 19.354 1.00 31.02 ATOM 1726 CB VAL 110 13.136 -30.837 19.735 1.00 74.15 ATOM 1727 HB VAL 110 13.822 -30.122 19.297 1.00 41.51 ATOM 1728 CG1 VAL 110 12.775 -30.354 21.131 1.00 31.52 ATOM 1729 HG11 VAL 110 12.328 -29.373 21.080 1.00 11.51 ATOM 1730 HG12 VAL 110 13.668 -30.298 21.732 1.00 65.13 ATOM 1731 HG13 VAL 110 12.079 -31.042 21.587 1.00 73.20 ATOM 1732 CG2 VAL 110 13.838 -32.185 19.792 1.00 32.32 ATOM 1733 HG21 VAL 110 13.160 -32.939 20.114 1.00 62.13 ATOM 1734 HG22 VAL 110 14.665 -32.134 20.481 1.00 71.14 ATOM 1735 HG23 VAL 110 14.218 -32.440 18.817 1.00 51.43 ATOM 1736 C VAL 110 11.292 -29.524 18.683 1.00 70.44 ATOM 1737 O VAL 110 10.220 -29.221 19.208 1.00 31.42 ATOM 1738 N LEU 111 12.002 -28.676 17.947 1.00 13.12 ATOM 1739 HN LEU 111 12.854 -28.978 17.555 1.00 37.06 ATOM 1740 CA LEU 111 11.552 -27.309 17.709 1.00 4.41 ATOM 1741 HA LEU 111 11.573 -26.791 18.655 1.00 61.21 ATOM 1742 CB LEU 111 12.483 -26.610 16.716 1.00 24.52 ATOM 1743 HB1 LEU 111 12.160 -26.852 15.709 1.00 37.06 ATOM 1744 HB2 LEU 111 13.482 -27.013 16.845 1.00 60.34 ATOM 1745 CG LEU 111 12.575 -25.089 16.838 1.00 61.00 ATOM 1746 HG LEU 111 11.578 -24.673 16.841 1.00 52.54 ATOM 1747 CD1 LEU 111 13.249 -24.698 18.144 1.00 51.30 ATOM 1748 HD11 LEU 111 14.302 -24.513 17.985 1.00 45.41 ATOM 1749 HD12 LEU 111 13.141 -25.473 18.889 1.00 22.41 ATOM 1750 HD13 LEU 111 12.788 -23.799 18.512 1.00 64.32 ATOM 1751 CD2 LEU 111 13.327 -24.503 15.652 1.00 71.45 ATOM 1752 HD21 LEU 111 12.791 -24.725 14.740 1.00 2.15 ATOM 1753 HD22 LEU 111 14.318 -24.934 15.600 1.00 21.32 ATOM 1754 HD23 LEU 111 13.411 -23.431 15.764 1.00 24.23 ATOM 1755 C LEU 111 10.121 -27.290 17.182 1.00 44.35 ATOM 1756 O LEU 111 9.247 -26.639 17.753 1.00 31.15 ATOM 1757 N SER 112 9.890 -28.009 16.088 1.00 34.54 ATOM 1758 HN SER 112 10.634 -28.508 15.673 1.00 37.06 ATOM 1759 CA SER 112 8.565 -28.074 15.482 1.00 32.35 ATOM 1760 HA SER 112 8.330 -27.095 15.090 1.00 31.35 ATOM 1761 CB SER 112 8.555 -29.085 14.334 1.00 41.43 ATOM 1762 HB1 SER 112 7.576 -29.101 13.874 1.00 37.06 ATOM 1763 HB2 SER 112 8.789 -30.068 14.717 1.00 21.42 ATOM 1764 OG SER 112 9.515 -28.746 13.348 1.00 2.41 ATOM 1765 HG SER 112 9.164 -28.057 12.778 1.00 55.04 ATOM 1766 C SER 112 7.512 -28.455 16.519 1.00 54.14 ATOM 1767 O SER 112 6.419 -27.889 16.546 1.00 51.10 ATOM 1768 N SER 113 7.849 -29.418 17.370 1.00 61.42 ATOM 1769 HN SER 113 8.735 -29.846 17.294 1.00 37.06 ATOM 1770 CA SER 113 6.932 -29.879 18.406 1.00 42.30 ATOM 1771 HA SER 113 6.070 -30.315 17.921 1.00 22.15 ATOM 1772 CB SER 113 7.604 -30.945 19.274 1.00 13.51 ATOM 1773 HB1 SER 113 8.402 -30.505 19.849 1.00 37.06 ATOM 1774 HB2 SER 113 8.006 -31.716 18.636 1.00 14.21 ATOM 1775 OG SER 113 6.675 -31.534 20.168 1.00 42.41 ATOM 1776 HG SER 113 6.547 -30.959 20.927 1.00 3.42 ATOM 1777 C SER 113 6.469 -28.715 19.277 1.00 34.11 ATOM 1778 O SER 113 5.270 -28.500 19.460 1.00 34.31 ATOM 1779 N LEU 114 7.427 -27.967 19.812 1.00 12.23 ATOM 1780 HN LEU 114 8.364 -28.172 19.593 1.00 37.06 ATOM 1781 CA LEU 114 7.119 -26.824 20.665 1.00 53.21 ATOM 1782 HA LEU 114 6.480 -27.164 21.470 1.00 21.51 ATOM 1783 CB LEU 114 8.403 -26.250 21.266 1.00 50.12 ATOM 1784 HB1 LEU 114 8.121 -25.547 22.037 1.00 37.06 ATOM 1785 HB2 LEU 114 8.934 -25.710 20.490 1.00 33.32 ATOM 1786 CG LEU 114 9.372 -27.265 21.873 1.00 42.05 ATOM 1787 HG LEU 114 9.767 -27.890 21.097 1.00 43.25 ATOM 1788 CD1 LEU 114 10.546 -26.556 22.529 1.00 1.44 ATOM 1789 HD11 LEU 114 11.154 -27.276 23.037 1.00 64.35 ATOM 1790 HD12 LEU 114 10.184 -25.829 23.244 1.00 51.13 ATOM 1791 HD13 LEU 114 11.134 -26.057 21.773 1.00 24.21 ATOM 1792 CD2 LEU 114 8.654 -28.154 22.877 1.00 12.23 ATOM 1793 HD21 LEU 114 7.889 -28.729 22.377 1.00 73.00 ATOM 1794 HD22 LEU 114 8.201 -27.545 23.647 1.00 63.21 ATOM 1795 HD23 LEU 114 9.363 -28.833 23.332 1.00 74.24 ATOM 1796 C LEU 114 6.383 -25.742 19.881 1.00 70.14 ATOM 1797 O LEU 114 5.383 -25.195 20.345 1.00 33.24 ATOM 1798 N VAL 115 6.884 -25.439 18.687 1.00 30.31 ATOM 1799 HN VAL 115 7.675 -25.926 18.362 1.00 37.06 ATOM 1800 CA VAL 115 6.273 -24.425 17.836 1.00 34.52 ATOM 1801 HA VAL 115 6.270 -23.486 18.378 1.00 23.21 ATOM 1802 CB VAL 115 7.070 -24.231 16.533 1.00 61.52 ATOM 1803 HB VAL 115 7.094 -25.173 16.001 1.00 61.01 ATOM 1804 CG1 VAL 115 6.394 -23.200 15.642 1.00 65.32 ATOM 1805 HG11 VAL 115 7.043 -22.956 14.810 1.00 63.33 ATOM 1806 HG12 VAL 115 6.190 -22.301 16.207 1.00 61.54 ATOM 1807 HG13 VAL 115 5.469 -23.599 15.254 1.00 11.44 ATOM 1808 CG2 VAL 115 8.503 -23.825 16.841 1.00 42.10 ATOM 1809 HG21 VAL 115 9.096 -23.915 15.945 1.00 41.24 ATOM 1810 HG22 VAL 115 8.926 -24.447 17.606 1.00 72.22 ATOM 1811 HG23 VAL 115 8.526 -22.798 17.178 1.00 53.14 ATOM 1812 C VAL 115 4.834 -24.794 17.489 1.00 5.42 ATOM 1813 O VAL 115 4.001 -23.922 17.242 1.00 55.23 ATOM 1814 N THR 116 4.549 -26.092 17.473 1.00 0.02 ATOM 1815 HN THR 116 5.254 -26.754 17.651 1.00 37.06 ATOM 1816 CA THR 116 3.212 -26.577 17.156 1.00 13.40 ATOM 1817 HA THR 116 2.810 -25.975 16.348 1.00 61.55 ATOM 1818 CB THR 116 3.243 -28.043 16.685 1.00 15.11 ATOM 1819 HB THR 116 3.672 -28.651 17.470 1.00 64.53 ATOM 1820 OG1 THR 116 4.051 -28.163 15.509 1.00 13.20 ATOM 1821 HG1 THR 116 4.386 -29.061 15.437 1.00 4.52 ATOM 1822 CG2 THR 116 1.837 -28.548 16.394 1.00 2.44 ATOM 1823 HG21 THR 116 1.315 -28.734 17.321 1.00 63.30 ATOM 1824 HG22 THR 116 1.901 -29.469 15.833 1.00 2.02 ATOM 1825 HG23 THR 116 1.292 -27.816 15.812 1.00 33.20 ATOM 1826 C THR 116 2.285 -26.461 18.361 1.00 71.21 ATOM 1827 O THR 116 1.116 -26.098 18.225 1.00 33.02 ATOM 1828 N LEU 117 2.813 -26.771 19.539 1.00 23.55 ATOM 1829 HN LEU 117 3.752 -27.070 19.588 1.00 37.06 ATOM 1830 CA LEU 117 2.033 -26.702 20.770 1.00 11.40 ATOM 1831 HA LEU 117 1.201 -27.378 20.677 1.00 74.45 ATOM 1832 CB LEU 117 2.883 -27.143 21.962 1.00 24.14 ATOM 1833 HB1 LEU 117 3.855 -26.674 21.866 1.00 37.06 ATOM 1834 HB2 LEU 117 3.018 -28.215 21.898 1.00 73.25 ATOM 1835 CG LEU 117 2.326 -26.806 23.346 1.00 71.52 ATOM 1836 HG LEU 117 2.167 -25.742 23.429 1.00 14.22 ATOM 1837 CD1 LEU 117 0.987 -27.493 23.563 1.00 34.32 ATOM 1838 HD11 LEU 117 1.054 -28.528 23.268 1.00 11.11 ATOM 1839 HD12 LEU 117 0.232 -27.008 22.969 1.00 2.13 ATOM 1840 HD13 LEU 117 0.706 -27.440 24.605 1.00 33.05 ATOM 1841 CD2 LEU 117 3.315 -27.206 24.431 1.00 32.31 ATOM 1842 HD21 LEU 117 3.165 -28.240 24.704 1.00 20.43 ATOM 1843 HD22 LEU 117 3.150 -26.586 25.296 1.00 3.41 ATOM 1844 HD23 LEU 117 4.331 -27.069 24.083 1.00 52.31 ATOM 1845 C LEU 117 1.507 -25.289 21.002 1.00 55.14 ATOM 1846 O LEU 117 0.415 -25.103 21.537 1.00 12.22 ATOM 1847 N ASN 118 2.290 -24.296 20.592 1.00 21.52 ATOM 1848 HN ASN 118 3.159 -24.499 20.174 1.00 37.06 ATOM 1849 CA ASN 118 1.902 -22.900 20.754 1.00 41.14 ATOM 1850 HA ASN 118 1.495 -22.770 21.749 1.00 44.34 ATOM 1851 CB ASN 118 3.123 -21.989 20.604 1.00 34.32 ATOM 1852 HB1 ASN 118 3.657 -22.265 19.706 1.00 37.06 ATOM 1853 HB2 ASN 118 3.774 -22.118 21.452 1.00 53.21 ATOM 1854 CG ASN 118 2.742 -20.525 20.498 1.00 70.23 ATOM 1855 OD1 ASN 118 2.589 -19.990 19.399 1.00 22.44 ATOM 1856 ND2 ASN 118 2.587 -19.870 21.642 1.00 4.41 ATOM 1857 HD21 ASN 118 2.704 -20.346 22.470 1.00 25.14 ATOM 1858 HD22 ASN 118 2.358 -18.918 21.597 1.00 13.04 ATOM 1859 C ASN 118 0.835 -22.510 19.735 1.00 63.52 ATOM 1860 O ASN 118 -0.090 -21.759 20.044 1.00 22.20 ATOM 1861 N LYS 119 0.970 -23.027 18.518 1.00 25.11 ATOM 1862 HN LYS 119 1.736 -23.617 18.321 1.00 37.06 ATOM 1863 CA LYS 119 0.018 -22.736 17.453 1.00 64.22 ATOM 1864 HA LYS 119 -0.148 -21.664 17.427 1.00 31.24 ATOM 1865 CB LYS 119 0.578 -23.190 16.103 1.00 41.14 ATOM 1866 HB1 LYS 119 -0.238 -23.347 15.407 1.00 37.06 ATOM 1867 HB2 LYS 119 1.096 -24.130 16.244 1.00 31.12 ATOM 1868 CG LYS 119 1.532 -22.190 15.473 1.00 41.23 ATOM 1869 HG1 LYS 119 2.134 -21.732 16.248 1.00 37.06 ATOM 1870 HG2 LYS 119 0.961 -21.426 14.969 1.00 43.34 ATOM 1871 CD LYS 119 2.463 -22.859 14.475 1.00 13.03 ATOM 1872 HD1 LYS 119 3.037 -23.622 14.981 1.00 37.06 ATOM 1873 HD2 LYS 119 3.131 -22.115 14.069 1.00 14.51 ATOM 1874 CE LYS 119 1.689 -23.498 13.333 1.00 74.23 ATOM 1875 HE1 LYS 119 1.013 -24.244 13.722 1.00 37.06 ATOM 1876 HE2 LYS 119 2.395 -23.974 12.669 1.00 32.13 ATOM 1877 NZ LYS 119 0.913 -22.491 12.557 1.00 70.44 ATOM 1878 HZ1 LYS 119 1.522 -21.692 12.278 1.00 55.31 ATOM 1879 HZ2 LYS 119 0.120 -22.130 13.122 1.00 51.35 ATOM 1880 HZ3 LYS 119 0.530 -22.931 11.696 1.00 41.13 ATOM 1881 C LYS 119 -1.319 -23.421 17.716 1.00 10.35 ATOM 1882 O LYS 119 -2.368 -22.776 17.722 1.00 5.40 ATOM 1883 N VAL 120 -1.275 -24.731 17.936 1.00 20.02 ATOM 1884 HN VAL 120 -0.405 -25.187 17.911 1.00 37.06 ATOM 1885 CA VAL 120 -2.483 -25.502 18.203 1.00 20.43 ATOM 1886 HA VAL 120 -3.103 -25.475 17.316 1.00 74.10 ATOM 1887 CB VAL 120 -2.151 -26.972 18.523 1.00 32.11 ATOM 1888 HB VAL 120 -3.072 -27.488 18.719 1.00 44.45 ATOM 1889 CG1 VAL 120 -1.493 -27.643 17.327 1.00 21.54 ATOM 1890 HG11 VAL 120 -0.604 -27.112 17.041 1.00 42.33 ATOM 1891 HG12 VAL 120 -2.184 -27.649 16.497 1.00 24.31 ATOM 1892 HG13 VAL 120 -1.236 -28.664 17.578 1.00 74.54 ATOM 1893 CG2 VAL 120 -1.260 -27.061 19.753 1.00 62.34 ATOM 1894 HG21 VAL 120 -1.844 -26.847 20.633 1.00 73.24 ATOM 1895 HG22 VAL 120 -0.470 -26.359 19.684 1.00 5.24 ATOM 1896 HG23 VAL 120 -0.848 -28.058 19.842 1.00 43.43 ATOM 1897 C VAL 120 -3.270 -24.906 19.365 1.00 71.21 ATOM 1898 O VAL 120 -4.494 -25.028 19.428 1.00 10.31 ATOM 1899 N THR 121 -2.560 -24.260 20.284 1.00 3.02 ATOM 1900 HN THR 121 -1.580 -24.219 20.214 1.00 37.06 ATOM 1901 CA THR 121 -3.191 -23.645 21.445 1.00 51.32 ATOM 1902 HA THR 121 -4.071 -24.218 21.708 1.00 32.52 ATOM 1903 CB THR 121 -2.244 -23.635 22.660 1.00 54.41 ATOM 1904 HB THR 121 -2.690 -23.051 23.452 1.00 11.10 ATOM 1905 OG1 THR 121 -0.989 -23.049 22.298 1.00 40.41 ATOM 1906 HG1 THR 121 -1.064 -22.092 22.314 1.00 5.52 ATOM 1907 CG2 THR 121 -2.019 -25.045 23.182 1.00 34.44 ATOM 1908 HG21 THR 121 -2.564 -25.171 24.106 1.00 32.05 ATOM 1909 HG22 THR 121 -0.977 -25.209 23.364 1.00 25.03 ATOM 1910 HG23 THR 121 -2.367 -25.777 22.467 1.00 72.50 ATOM 1911 C THR 121 -3.625 -22.215 21.141 1.00 33.43 ATOM 1912 O THR 121 -4.560 -21.698 21.752 1.00 4.53 ATOM 1913 N ALA 122 -2.942 -21.583 20.193 1.00 5.24 ATOM 1914 HN ALA 122 -2.178 -22.023 19.770 1.00 37.06 ATOM 1915 CA ALA 122 -3.259 -20.214 19.807 1.00 0.41 ATOM 1916 HA ALA 122 -3.146 -19.582 20.678 1.00 12.05 ATOM 1917 CB ALA 122 -2.285 -19.726 18.745 1.00 50.31 ATOM 1918 HB1 ALA 122 -2.491 -18.690 18.513 1.00 52.53 ATOM 1919 HB2 ALA 122 -2.390 -20.322 17.850 1.00 72.10 ATOM 1920 HB3 ALA 122 -1.276 -19.813 19.117 1.00 73.13 ATOM 1921 C ALA 122 -4.694 -20.104 19.302 1.00 23.32 ATOM 1922 O ALA 122 -5.360 -19.090 19.511 1.00 21.35 ATOM 1923 N ASP 123 -5.163 -21.154 18.636 1.00 11.44 ATOM 1924 HN ASP 123 -4.583 -21.936 18.485 1.00 37.06 ATOM 1925 CA ASP 123 -6.520 -21.175 18.102 1.00 63.44 ATOM 1926 HA ASP 123 -6.666 -20.269 17.525 1.00 43.14 ATOM 1927 CB ASP 123 -6.711 -22.386 17.186 1.00 5.23 ATOM 1928 HB1 ASP 123 -6.803 -23.286 17.781 1.00 37.06 ATOM 1929 HB2 ASP 123 -5.848 -22.478 16.542 1.00 43.25 ATOM 1930 CG ASP 123 -7.939 -22.258 16.306 1.00 24.45 ATOM 1931 OD1 ASP 123 -8.741 -23.215 16.266 1.00 45.51 ATOM 1932 OD2 ASP 123 -8.097 -21.203 15.658 1.00 53.22 ATOM 1933 C ASP 123 -7.548 -21.207 19.228 1.00 25.15 ATOM 1934 O ASP 123 -8.679 -20.752 19.062 1.00 15.11 ATOM 1935 N ILE 124 -7.146 -21.748 20.374 1.00 62.24 ATOM 1936 HN ILE 124 -6.233 -22.089 20.454 1.00 37.06 ATOM 1937 CA ILE 124 -8.032 -21.839 21.527 1.00 31.13 ATOM 1938 HA ILE 124 -8.945 -22.335 21.214 1.00 44.41 ATOM 1939 CB ILE 124 -7.398 -22.667 22.661 1.00 42.14 ATOM 1940 HB ILE 124 -6.510 -22.159 23.002 1.00 51.41 ATOM 1941 CG1 ILE 124 -7.017 -24.059 22.153 1.00 24.00 ATOM 1942 HG11 ILE 124 -6.398 -23.974 21.273 1.00 37.06 ATOM 1943 HG12 ILE 124 -7.912 -24.607 21.899 1.00 1.13 ATOM 1944 CG2 ILE 124 -8.354 -22.770 23.840 1.00 64.43 ATOM 1945 HG21 ILE 124 -7.942 -23.420 24.598 1.00 14.52 ATOM 1946 HG22 ILE 124 -9.302 -23.170 23.510 1.00 21.14 ATOM 1947 HG23 ILE 124 -8.509 -21.796 24.275 1.00 55.23 ATOM 1948 CD1 ILE 124 -6.245 -24.880 23.163 1.00 51.05 ATOM 1949 HD11 ILE 124 -6.900 -25.174 23.969 1.00 35.34 ATOM 1950 HD12 ILE 124 -5.424 -24.297 23.559 1.00 1.33 ATOM 1951 HD13 ILE 124 -5.855 -25.764 22.680 1.00 72.24 ATOM 1952 C ILE 124 -8.385 -20.455 22.060 1.00 5.52 ATOM 1953 O ILE 124 -9.441 -20.259 22.660 1.00 24.12 ATOM 1954 N GLY 125 -7.492 -19.495 21.835 1.00 53.32 ATOM 1955 HN GLY 125 -6.650 -19.692 21.372 1.00 37.06 ATOM 1956 CA GLY 125 -7.728 -18.139 22.297 1.00 20.42 ATOM 1957 HA1 GLY 125 -8.791 -17.935 22.338 1.00 37.06 ATOM 1958 HA2 GLY 125 -7.277 -17.457 21.592 1.00 11.35 ATOM 1959 C GLY 125 -7.126 -17.880 23.664 1.00 35.42 ATOM 1960 O GLY 125 -7.792 -17.345 24.552 1.00 24.33 ATOM 1961 N LEU 126 -5.866 -18.262 23.836 1.00 44.52 ATOM 1962 HN LEU 126 -5.374 -18.672 23.085 1.00 37.06 ATOM 1963 HA LEU 126 -5.907 -17.930 25.893 1.00 42.21 ATOM 1964 CB LEU 126 -4.338 -19.304 25.446 1.00 34.14 ATOM 1965 HB1 LEU 126 -3.922 -19.167 26.437 1.00 37.06 ATOM 1966 HB2 LEU 126 -3.518 -19.359 24.738 1.00 43.25 ATOM 1967 CG LEU 126 -5.076 -20.643 25.416 1.00 13.02 ATOM 1968 HG LEU 126 -5.497 -20.792 24.432 1.00 45.44 ATOM 1969 CD1 LEU 126 -4.115 -21.789 25.694 1.00 53.52 ATOM 1970 HD11 LEU 126 -3.726 -21.703 26.699 1.00 63.42 ATOM 1971 HD12 LEU 126 -3.296 -21.752 24.992 1.00 55.25 ATOM 1972 HD13 LEU 126 -4.634 -22.731 25.589 1.00 54.51 ATOM 1973 CD2 LEU 126 -6.217 -20.646 26.423 1.00 13.21 ATOM 1974 HD21 LEU 126 -5.828 -20.470 27.417 1.00 64.04 ATOM 1975 HD22 LEU 126 -6.719 -21.604 26.400 1.00 63.31 ATOM 1976 HD23 LEU 126 -6.927 -19.871 26.173 1.00 41.35 ATOM 1977 CA LEU 126 -5.174 -18.069 25.106 1.00 51.02 ATOM 1978 C LEU 126 -4.280 -16.834 25.057 1.00 15.25 ATOM 1979 OT1 LEU 126 -4.449 -15.947 25.921 1.00 37.06 ATOM 1980 OT2 LEU 126 -3.424 -16.755 24.148 1.00 37.06 ATOM 1981 OH2 TIP3 1 -5.243 -44.249 11.175 0.00 0.00 WAT1 ATOM 1982 H1 TIP3 1 -5.684 -44.969 11.625 0.00 0.00 WAT1 ATOM 1983 H2 TIP3 1 -5.256 -43.528 11.805 0.00 0.00 WAT1 ATOM 1984 OH2 TIP3 2 -8.132 -39.144 11.387 0.00 0.00 WAT1 ATOM 1985 H1 TIP3 2 -7.512 -39.821 11.114 0.00 0.00 WAT1 ATOM 1986 H2 TIP3 2 -8.340 -39.362 12.295 0.00 0.00 WAT1 ATOM 1987 OH2 TIP3 3 -10.560 -44.755 13.279 0.00 0.00 WAT1 ATOM 1988 H1 TIP3 3 -10.256 -45.441 12.685 0.00 0.00 WAT1 ATOM 1989 H2 TIP3 3 -9.838 -44.637 13.897 0.00 0.00 WAT1 ATOM 1990 OH2 TIP3 4 -4.731 -42.409 13.523 0.00 0.00 WAT1 ATOM 1991 H1 TIP3 4 -5.673 -42.351 13.684 0.00 0.00 WAT1 ATOM 1992 H2 TIP3 4 -4.455 -41.503 13.386 0.00 0.00 WAT1 ATOM 1993 OH2 TIP3 5 -6.479 -40.628 10.148 0.00 0.00 WAT1 ATOM 1994 H1 TIP3 5 -6.054 -41.335 9.663 0.00 0.00 WAT1 ATOM 1995 H2 TIP3 5 -6.162 -39.827 9.731 0.00 0.00 WAT1 ATOM 1996 OH2 TIP3 6 -3.634 -44.161 17.134 0.00 0.00 WAT1 ATOM 1997 H1 TIP3 6 -3.494 -44.752 16.395 0.00 0.00 WAT1 ATOM 1998 H2 TIP3 6 -3.466 -43.288 16.778 0.00 0.00 WAT1 ATOM 1999 OH2 TIP3 7 -12.863 -43.191 18.091 0.00 0.00 WAT1 ATOM 2000 H1 TIP3 7 -13.175 -42.409 18.547 0.00 0.00 WAT1 ATOM 2001 H2 TIP3 7 -13.513 -43.344 17.405 0.00 0.00 WAT1 ATOM 2002 OH2 TIP3 8 -1.079 -41.480 18.711 0.00 0.00 WAT1 ATOM 2003 H1 TIP3 8 -1.128 -42.435 18.674 0.00 0.00 WAT1 ATOM 2004 H2 TIP3 8 -1.905 -41.212 19.113 0.00 0.00 WAT1 ATOM 2005 OH2 TIP3 9 -10.100 -41.906 17.587 0.00 0.00 WAT1 ATOM 2006 H1 TIP3 9 -10.013 -41.080 18.062 0.00 0.00 WAT1 ATOM 2007 H2 TIP3 9 -10.964 -42.236 17.836 0.00 0.00 WAT1 ATOM 2008 OH2 TIP3 10 -3.849 -45.997 15.049 0.00 0.00 WAT1 ATOM 2009 H1 TIP3 10 -3.207 -45.540 14.506 0.00 0.00 WAT1 ATOM 2010 H2 TIP3 10 -4.679 -45.884 14.587 0.00 0.00 WAT1 ATOM 2011 OH2 TIP3 11 -9.479 -44.946 17.500 0.00 0.00 WAT1 ATOM 2012 H1 TIP3 11 -9.825 -45.327 18.306 0.00 0.00 WAT1 ATOM 2013 H2 TIP3 11 -9.679 -44.012 17.571 0.00 0.00 WAT1 ATOM 2014 OH2 TIP3 12 -1.534 -44.439 18.654 0.00 0.00 WAT1 ATOM 2015 H1 TIP3 12 -2.386 -44.201 18.287 0.00 0.00 WAT1 ATOM 2016 H2 TIP3 12 -0.944 -44.456 17.901 0.00 0.00 WAT1 ATOM 2017 OH2 TIP3 13 -6.042 -46.645 13.304 0.00 0.00 WAT1 ATOM 2018 H1 TIP3 13 -6.970 -46.877 13.277 0.00 0.00 WAT1 ATOM 2019 H2 TIP3 13 -5.591 -47.422 12.974 0.00 0.00 WAT1 ATOM 2020 OH2 TIP3 14 -11.557 -40.505 15.328 0.00 0.00 WAT1 ATOM 2021 H1 TIP3 14 -11.194 -39.650 15.095 0.00 0.00 WAT1 ATOM 2022 H2 TIP3 14 -11.025 -40.797 16.069 0.00 0.00 WAT1 ATOM 2023 OH2 TIP3 15 -8.013 -44.406 15.029 0.00 0.00 WAT1 ATOM 2024 H1 TIP3 15 -8.439 -44.633 15.855 0.00 0.00 WAT1 ATOM 2025 H2 TIP3 15 -7.432 -45.144 14.846 0.00 0.00 WAT1 ATOM 2026 OH2 TIP3 16 -4.084 -39.600 13.465 0.00 0.00 WAT1 ATOM 2027 H1 TIP3 16 -4.240 -38.922 12.808 0.00 0.00 WAT1 ATOM 2028 H2 TIP3 16 -3.152 -39.528 13.668 0.00 0.00 WAT1 ATOM 2029 OH2 TIP3 17 -13.773 -40.010 21.313 0.00 0.00 WAT1 ATOM 2030 H1 TIP3 17 -13.005 -40.469 21.654 0.00 0.00 WAT1 ATOM 2031 H2 TIP3 17 -13.794 -40.236 20.383 0.00 0.00 WAT1 ATOM 2032 OH2 TIP3 18 -11.808 -45.149 20.080 0.00 0.00 WAT1 ATOM 2033 H1 TIP3 18 -12.136 -44.878 19.222 0.00 0.00 WAT1 ATOM 2034 H2 TIP3 18 -11.656 -46.090 19.992 0.00 0.00 WAT1 ATOM 2035 OH2 TIP3 19 -6.073 -45.233 17.463 0.00 0.00 WAT1 ATOM 2036 H1 TIP3 19 -5.328 -44.645 17.343 0.00 0.00 WAT1 ATOM 2037 H2 TIP3 19 -6.830 -44.651 17.526 0.00 0.00 WAT1 ATOM 2038 OH2 TIP3 20 -8.664 -46.439 20.719 0.00 0.00 WAT1 ATOM 2039 H1 TIP3 20 -7.711 -46.355 20.691 0.00 0.00 WAT1 ATOM 2040 H2 TIP3 20 -8.824 -47.150 21.338 0.00 0.00 WAT1 ATOM 2041 OH2 TIP3 21 -5.618 -47.142 19.362 0.00 0.00 WAT1 ATOM 2042 H1 TIP3 21 -5.899 -46.433 18.784 0.00 0.00 WAT1 ATOM 2043 H2 TIP3 21 -4.675 -47.215 19.211 0.00 0.00 WAT1 ATOM 2044 OH2 TIP3 22 -1.368 -38.950 13.694 0.00 0.00 WAT1 ATOM 2045 H1 TIP3 22 -1.390 -38.765 14.633 0.00 0.00 WAT1 ATOM 2046 H2 TIP3 22 -0.678 -38.381 13.353 0.00 0.00 WAT1 ATOM 2047 OH2 TIP3 23 -3.354 -43.593 21.254 0.00 0.00 WAT1 ATOM 2048 H1 TIP3 23 -4.220 -43.698 21.648 0.00 0.00 WAT1 ATOM 2049 H2 TIP3 23 -2.978 -42.834 21.701 0.00 0.00 WAT1 ATOM 2050 OH2 TIP3 24 -1.900 -44.498 13.540 0.00 0.00 WAT1 ATOM 2051 H1 TIP3 24 -1.066 -44.876 13.259 0.00 0.00 WAT1 ATOM 2052 H2 TIP3 24 -1.788 -43.555 13.421 0.00 0.00 WAT1 ATOM 2053 OH2 TIP3 25 -3.016 -46.792 18.794 0.00 0.00 WAT1 ATOM 2054 H1 TIP3 25 -2.433 -47.526 18.985 0.00 0.00 WAT1 ATOM 2055 H2 TIP3 25 -2.452 -46.020 18.840 0.00 0.00 WAT1 ATOM 2056 OH2 TIP3 26 -4.630 -38.860 9.266 0.00 0.00 WAT1 ATOM 2057 H1 TIP3 26 -3.977 -39.207 8.658 0.00 0.00 WAT1 ATOM 2058 H2 TIP3 26 -4.119 -38.371 9.912 0.00 0.00 WAT1 ATOM 2059 OH2 TIP3 27 -9.711 -38.212 14.321 0.00 0.00 WAT1 ATOM 2060 H1 TIP3 27 -10.168 -37.683 13.667 0.00 0.00 WAT1 ATOM 2061 H2 TIP3 27 -9.548 -37.609 15.046 0.00 0.00 WAT1 ATOM 2062 OH2 TIP3 28 -12.796 -39.897 12.529 0.00 0.00 WAT1 ATOM 2063 H1 TIP3 28 -12.583 -40.785 12.242 0.00 0.00 WAT1 ATOM 2064 H2 TIP3 28 -12.731 -39.931 13.484 0.00 0.00 WAT1 ATOM 2065 OH2 TIP3 29 -8.132 -39.144 30.243 0.00 0.00 WAT1 ATOM 2066 H1 TIP3 29 -7.512 -39.821 29.970 0.00 0.00 WAT1 ATOM 2067 H2 TIP3 29 -8.340 -39.362 31.151 0.00 0.00 WAT1 ATOM 2068 OH2 TIP3 30 -4.731 -42.409 32.379 0.00 0.00 WAT1 ATOM 2069 H1 TIP3 30 -5.673 -42.351 32.540 0.00 0.00 WAT1 ATOM 2070 H2 TIP3 30 -4.455 -41.503 32.242 0.00 0.00 WAT1 ATOM 2071 OH2 TIP3 31 -6.479 -40.628 29.004 0.00 0.00 WAT1 ATOM 2072 H1 TIP3 31 -6.054 -41.335 28.519 0.00 0.00 WAT1 ATOM 2073 H2 TIP3 31 -6.162 -39.827 28.587 0.00 0.00 WAT1 ATOM 2074 OH2 TIP3 32 -5.320 -42.727 27.513 0.00 0.00 WAT1 ATOM 2075 H1 TIP3 32 -5.577 -43.417 26.901 0.00 0.00 WAT1 ATOM 2076 H2 TIP3 32 -5.249 -43.170 28.358 0.00 0.00 WAT1 ATOM 2077 OH2 TIP3 33 -3.634 -44.161 35.990 0.00 0.00 WAT1 ATOM 2078 H1 TIP3 33 -3.494 -44.752 35.251 0.00 0.00 WAT1 ATOM 2079 H2 TIP3 33 -3.466 -43.288 35.634 0.00 0.00 WAT1 ATOM 2080 OH2 TIP3 34 -1.792 -47.821 34.056 0.00 0.00 WAT1 ATOM 2081 H1 TIP3 34 -2.444 -47.126 34.145 0.00 0.00 WAT1 ATOM 2082 H2 TIP3 34 -1.327 -47.611 33.246 0.00 0.00 WAT1 ATOM 2083 OH2 TIP3 35 -7.434 -42.087 32.964 0.00 0.00 WAT1 ATOM 2084 H1 TIP3 35 -7.675 -41.425 33.612 0.00 0.00 WAT1 ATOM 2085 H2 TIP3 35 -7.632 -42.921 33.389 0.00 0.00 WAT1 ATOM 2086 OH2 TIP3 36 -9.158 -41.090 27.834 0.00 0.00 WAT1 ATOM 2087 H1 TIP3 36 -8.684 -40.795 28.612 0.00 0.00 WAT1 ATOM 2088 H2 TIP3 36 -9.721 -40.352 27.601 0.00 0.00 WAT1 ATOM 2089 OH2 TIP3 37 -1.996 -41.711 22.589 0.00 0.00 WAT1 ATOM 2090 H1 TIP3 37 -1.923 -40.772 22.759 0.00 0.00 WAT1 ATOM 2091 H2 TIP3 37 -1.091 -42.016 22.532 0.00 0.00 WAT1 ATOM 2092 OH2 TIP3 38 -10.100 -41.906 36.443 0.00 0.00 WAT1 ATOM 2093 H1 TIP3 38 -10.013 -41.080 36.918 0.00 0.00 WAT1 ATOM 2094 H2 TIP3 38 -10.964 -42.236 36.692 0.00 0.00 WAT1 ATOM 2095 OH2 TIP3 39 -9.686 -38.134 26.249 0.00 0.00 WAT1 ATOM 2096 H1 TIP3 39 -9.761 -38.255 25.303 0.00 0.00 WAT1 ATOM 2097 H2 TIP3 39 -9.653 -37.184 26.368 0.00 0.00 WAT1 ATOM 2098 OH2 TIP3 40 -6.915 -39.054 26.001 0.00 0.00 WAT1 ATOM 2099 H1 TIP3 40 -7.850 -38.954 26.180 0.00 0.00 WAT1 ATOM 2100 H2 TIP3 40 -6.635 -39.763 26.579 0.00 0.00 WAT1 ATOM 2101 OH2 TIP3 41 -5.407 -46.794 22.029 0.00 0.00 WAT1 ATOM 2102 H1 TIP3 41 -5.365 -47.017 21.099 0.00 0.00 WAT1 ATOM 2103 H2 TIP3 41 -4.558 -46.396 22.219 0.00 0.00 WAT1 ATOM 2104 OH2 TIP3 42 -3.849 -45.997 33.905 0.00 0.00 WAT1 ATOM 2105 H1 TIP3 42 -3.207 -45.540 33.362 0.00 0.00 WAT1 ATOM 2106 H2 TIP3 42 -4.679 -45.884 33.443 0.00 0.00 WAT1 ATOM 2107 OH2 TIP3 43 -8.873 -43.671 24.144 0.00 0.00 WAT1 ATOM 2108 H1 TIP3 43 -9.168 -42.845 24.526 0.00 0.00 WAT1 ATOM 2109 H2 TIP3 43 -9.576 -44.291 24.340 0.00 0.00 WAT1 ATOM 2110 OH2 TIP3 44 -7.229 -42.484 36.306 0.00 0.00 WAT1 ATOM 2111 H1 TIP3 44 -8.130 -42.301 36.038 0.00 0.00 WAT1 ATOM 2112 H2 TIP3 44 -7.195 -42.225 37.227 0.00 0.00 WAT1 ATOM 2113 OH2 TIP3 45 -8.013 -44.406 33.885 0.00 0.00 WAT1 ATOM 2114 H1 TIP3 45 -8.439 -44.633 34.711 0.00 0.00 WAT1 ATOM 2115 H2 TIP3 45 -7.432 -45.144 33.702 0.00 0.00 WAT1 ATOM 2116 OH2 TIP3 46 -5.810 -43.477 22.959 0.00 0.00 WAT1 ATOM 2117 H1 TIP3 46 -5.457 -43.857 23.763 0.00 0.00 WAT1 ATOM 2118 H2 TIP3 46 -6.759 -43.570 23.045 0.00 0.00 WAT1 ATOM 2119 OH2 TIP3 47 -4.944 -44.804 25.185 0.00 0.00 WAT1 ATOM 2120 H1 TIP3 47 -5.221 -45.532 25.741 0.00 0.00 WAT1 ATOM 2121 H2 TIP3 47 -4.017 -44.685 25.391 0.00 0.00 WAT1 ATOM 2122 OH2 TIP3 48 -11.719 -42.365 21.406 0.00 0.00 WAT1 ATOM 2123 H1 TIP3 48 -11.480 -43.113 20.858 0.00 0.00 WAT1 ATOM 2124 H2 TIP3 48 -11.988 -42.753 22.238 0.00 0.00 WAT1 ATOM 2125 OH2 TIP3 49 -10.044 -41.097 24.611 0.00 0.00 WAT1 ATOM 2126 H1 TIP3 49 -10.861 -40.600 24.664 0.00 0.00 WAT1 ATOM 2127 H2 TIP3 49 -9.515 -40.622 23.971 0.00 0.00 WAT1 ATOM 2128 OH2 TIP3 50 -4.084 -39.600 32.321 0.00 0.00 WAT1 ATOM 2129 H1 TIP3 50 -4.240 -38.922 31.664 0.00 0.00 WAT1 ATOM 2130 H2 TIP3 50 -3.152 -39.528 32.524 0.00 0.00 WAT1 ATOM 2131 OH2 TIP3 51 -9.681 -40.502 21.544 0.00 0.00 WAT1 ATOM 2132 H1 TIP3 51 -10.325 -41.133 21.866 0.00 0.00 WAT1 ATOM 2133 H2 TIP3 51 -8.919 -41.033 21.312 0.00 0.00 WAT1 ATOM 2134 OH2 TIP3 52 -7.196 -41.630 38.898 0.00 0.00 WAT1 ATOM 2135 H1 TIP3 52 -7.547 -42.486 39.141 0.00 0.00 WAT1 ATOM 2136 H2 TIP3 52 -6.470 -41.487 39.505 0.00 0.00 WAT1 ATOM 2137 OH2 TIP3 53 -8.770 -43.728 21.371 0.00 0.00 WAT1 ATOM 2138 H1 TIP3 53 -9.038 -43.548 22.272 0.00 0.00 WAT1 ATOM 2139 H2 TIP3 53 -8.976 -44.654 21.240 0.00 0.00 WAT1 ATOM 2140 OH2 TIP3 54 -6.073 -45.233 36.319 0.00 0.00 WAT1 ATOM 2141 H1 TIP3 54 -5.328 -44.645 36.199 0.00 0.00 WAT1 ATOM 2142 H2 TIP3 54 -6.830 -44.651 36.382 0.00 0.00 WAT1 ATOM 2143 OH2 TIP3 55 -2.512 -46.205 21.649 0.00 0.00 WAT1 ATOM 2144 H1 TIP3 55 -2.785 -46.630 20.836 0.00 0.00 WAT1 ATOM 2145 H2 TIP3 55 -2.472 -45.274 21.432 0.00 0.00 WAT1 ATOM 2146 OH2 TIP3 56 -5.618 -47.142 38.218 0.00 0.00 WAT1 ATOM 2147 H1 TIP3 56 -5.899 -46.433 37.640 0.00 0.00 WAT1 ATOM 2148 H2 TIP3 56 -4.675 -47.215 38.067 0.00 0.00 WAT1 ATOM 2149 OH2 TIP3 57 -12.004 -37.869 23.205 0.00 0.00 WAT1 ATOM 2150 H1 TIP3 57 -11.071 -37.711 23.349 0.00 0.00 WAT1 ATOM 2151 H2 TIP3 57 -12.268 -37.194 22.580 0.00 0.00 WAT1 ATOM 2152 OH2 TIP3 58 -2.053 -45.336 25.624 0.00 0.00 WAT1 ATOM 2153 H1 TIP3 58 -1.203 -44.915 25.752 0.00 0.00 WAT1 ATOM 2154 H2 TIP3 58 -2.048 -46.076 26.232 0.00 0.00 WAT1 ATOM 2155 OH2 TIP3 59 -1.659 -47.283 27.448 0.00 0.00 WAT1 ATOM 2156 H1 TIP3 59 -2.385 -47.762 27.846 0.00 0.00 WAT1 ATOM 2157 H2 TIP3 59 -1.078 -47.077 28.180 0.00 0.00 WAT1 ATOM 2158 OH2 TIP3 60 -1.900 -44.498 32.396 0.00 0.00 WAT1 ATOM 2159 H1 TIP3 60 -1.066 -44.876 32.115 0.00 0.00 WAT1 ATOM 2160 H2 TIP3 60 -1.788 -43.555 32.277 0.00 0.00 WAT1 ATOM 2161 OH2 TIP3 61 -1.391 -47.382 23.839 0.00 0.00 WAT1 ATOM 2162 H1 TIP3 61 -1.912 -47.025 23.120 0.00 0.00 WAT1 ATOM 2163 H2 TIP3 61 -1.424 -46.707 24.517 0.00 0.00 WAT1 ATOM 2164 OH2 TIP3 62 -3.016 -46.792 37.650 0.00 0.00 WAT1 ATOM 2165 H1 TIP3 62 -2.433 -47.526 37.841 0.00 0.00 WAT1 ATOM 2166 H2 TIP3 62 -2.452 -46.020 37.696 0.00 0.00 WAT1 ATOM 2167 OH2 TIP3 63 -1.519 -48.889 38.334 0.00 0.00 WAT1 ATOM 2168 H1 TIP3 63 -2.382 -49.268 38.169 0.00 0.00 WAT1 ATOM 2169 H2 TIP3 63 -0.915 -49.628 38.260 0.00 0.00 WAT1 ATOM 2170 OH2 TIP3 64 -9.980 -39.557 37.883 0.00 0.00 WAT1 ATOM 2171 H1 TIP3 64 -9.795 -39.891 38.761 0.00 0.00 WAT1 ATOM 2172 H2 TIP3 64 -9.133 -39.248 37.561 0.00 0.00 WAT1 ATOM 2173 OH2 TIP3 65 -7.635 -38.272 37.127 0.00 0.00 WAT1 ATOM 2174 H1 TIP3 65 -6.958 -38.904 36.887 0.00 0.00 WAT1 ATOM 2175 H2 TIP3 65 -7.313 -37.870 37.935 0.00 0.00 WAT1 ATOM 2176 OH2 TIP3 66 -9.711 -38.212 33.177 0.00 0.00 WAT1 ATOM 2177 H1 TIP3 66 -10.168 -37.683 32.523 0.00 0.00 WAT1 ATOM 2178 H2 TIP3 66 -9.548 -37.609 33.902 0.00 0.00 WAT1 ATOM 2179 OH2 TIP3 67 -7.384 -39.334 34.122 0.00 0.00 WAT1 ATOM 2180 H1 TIP3 67 -8.288 -39.169 33.856 0.00 0.00 WAT1 ATOM 2181 H2 TIP3 67 -6.955 -38.481 34.056 0.00 0.00 WAT1 ATOM 2182 OH2 TIP3 68 -9.359 -38.643 23.450 0.00 0.00 WAT1 ATOM 2183 H1 TIP3 68 -8.493 -38.277 23.272 0.00 0.00 WAT1 ATOM 2184 H2 TIP3 68 -9.606 -39.083 22.637 0.00 0.00 WAT1 ATOM 2185 OH2 TIP3 69 -6.584 -38.980 42.108 0.00 0.00 WAT1 ATOM 2186 H1 TIP3 69 -6.209 -39.724 41.637 0.00 0.00 WAT1 ATOM 2187 H2 TIP3 69 -6.580 -39.250 43.026 0.00 0.00 WAT1 ATOM 2188 OH2 TIP3 70 -5.407 -46.794 40.885 0.00 0.00 WAT1 ATOM 2189 H1 TIP3 70 -5.365 -47.017 39.955 0.00 0.00 WAT1 ATOM 2190 H2 TIP3 70 -4.558 -46.396 41.075 0.00 0.00 WAT1 ATOM 2191 OH2 TIP3 71 -3.202 -41.453 43.994 0.00 0.00 WAT1 ATOM 2192 H1 TIP3 71 -3.575 -42.279 44.304 0.00 0.00 WAT1 ATOM 2193 H2 TIP3 71 -2.925 -41.636 43.097 0.00 0.00 WAT1 ATOM 2194 OH2 TIP3 72 -5.810 -43.477 41.815 0.00 0.00 WAT1 ATOM 2195 H1 TIP3 72 -5.457 -43.857 42.619 0.00 0.00 WAT1 ATOM 2196 H2 TIP3 72 -6.759 -43.570 41.901 0.00 0.00 WAT1 ATOM 2197 OH2 TIP3 73 -1.306 -38.997 42.016 0.00 0.00 WAT1 ATOM 2198 H1 TIP3 73 -0.563 -38.411 41.876 0.00 0.00 WAT1 ATOM 2199 H2 TIP3 73 -2.001 -38.429 42.349 0.00 0.00 WAT1 ATOM 2200 OH2 TIP3 74 -4.944 -44.804 44.041 0.00 0.00 WAT1 ATOM 2201 H1 TIP3 74 -5.221 -45.532 44.597 0.00 0.00 WAT1 ATOM 2202 H2 TIP3 74 -4.017 -44.685 44.247 0.00 0.00 WAT1 ATOM 2203 OH2 TIP3 75 -9.681 -40.502 40.400 0.00 0.00 WAT1 ATOM 2204 H1 TIP3 75 -10.325 -41.133 40.722 0.00 0.00 WAT1 ATOM 2205 H2 TIP3 75 -8.919 -41.033 40.168 0.00 0.00 WAT1 ATOM 2206 OH2 TIP3 76 -8.770 -43.728 40.227 0.00 0.00 WAT1 ATOM 2207 H1 TIP3 76 -9.038 -43.548 41.128 0.00 0.00 WAT1 ATOM 2208 H2 TIP3 76 -8.976 -44.654 40.096 0.00 0.00 WAT1 ATOM 2209 OH2 TIP3 77 -2.512 -46.205 40.505 0.00 0.00 WAT1 ATOM 2210 H1 TIP3 77 -2.785 -46.630 39.692 0.00 0.00 WAT1 ATOM 2211 H2 TIP3 77 -2.472 -45.274 40.288 0.00 0.00 WAT1 ATOM 2212 OH2 TIP3 78 -2.053 -45.336 44.480 0.00 0.00 WAT1 ATOM 2213 H1 TIP3 78 -1.203 -44.915 44.608 0.00 0.00 WAT1 ATOM 2214 H2 TIP3 78 -2.048 -46.076 45.088 0.00 0.00 WAT1 ATOM 2215 OH2 TIP3 79 -1.391 -47.382 42.695 0.00 0.00 WAT1 ATOM 2216 H1 TIP3 79 -1.912 -47.025 41.976 0.00 0.00 WAT1 ATOM 2217 H2 TIP3 79 -1.424 -46.707 43.373 0.00 0.00 WAT1 ATOM 2218 OH2 TIP3 80 -2.650 -39.080 44.986 0.00 0.00 WAT1 ATOM 2219 H1 TIP3 80 -2.844 -39.828 44.421 0.00 0.00 WAT1 ATOM 2220 H2 TIP3 80 -2.689 -38.322 44.402 0.00 0.00 WAT1 ATOM 2221 OH2 TIP3 81 -8.949 -28.332 12.873 0.00 0.00 WAT1 ATOM 2222 H1 TIP3 81 -8.987 -28.978 13.578 0.00 0.00 WAT1 ATOM 2223 H2 TIP3 81 -9.272 -28.798 12.102 0.00 0.00 WAT1 ATOM 2224 OH2 TIP3 82 -5.243 -25.393 11.175 0.00 0.00 WAT1 ATOM 2225 H1 TIP3 82 -5.684 -26.113 11.625 0.00 0.00 WAT1 ATOM 2226 H2 TIP3 82 -5.256 -24.672 11.805 0.00 0.00 WAT1 ATOM 2227 OH2 TIP3 83 -15.657 -24.267 13.001 0.00 0.00 WAT1 ATOM 2228 H1 TIP3 83 -16.027 -25.069 12.632 0.00 0.00 WAT1 ATOM 2229 H2 TIP3 83 -14.716 -24.436 13.048 0.00 0.00 WAT1 ATOM 2230 OH2 TIP3 84 -8.132 -20.288 11.387 0.00 0.00 WAT1 ATOM 2231 H1 TIP3 84 -7.512 -20.965 11.114 0.00 0.00 WAT1 ATOM 2232 H2 TIP3 84 -8.340 -20.506 12.295 0.00 0.00 WAT1 ATOM 2233 OH2 TIP3 85 -10.560 -25.899 13.279 0.00 0.00 WAT1 ATOM 2234 H1 TIP3 85 -10.256 -26.585 12.685 0.00 0.00 WAT1 ATOM 2235 H2 TIP3 85 -9.838 -25.781 13.897 0.00 0.00 WAT1 ATOM 2236 OH2 TIP3 86 -7.419 -31.505 13.607 0.00 0.00 WAT1 ATOM 2237 H1 TIP3 86 -7.276 -32.452 13.627 0.00 0.00 WAT1 ATOM 2238 H2 TIP3 86 -7.525 -31.298 12.678 0.00 0.00 WAT1 ATOM 2239 OH2 TIP3 87 -8.085 -24.986 8.497 0.00 0.00 WAT1 ATOM 2240 H1 TIP3 87 -8.381 -25.308 7.646 0.00 0.00 WAT1 ATOM 2241 H2 TIP3 87 -8.409 -24.086 8.539 0.00 0.00 WAT1 ATOM 2242 OH2 TIP3 88 -12.885 -26.810 15.241 0.00 0.00 WAT1 ATOM 2243 H1 TIP3 88 -13.625 -26.212 15.344 0.00 0.00 WAT1 ATOM 2244 H2 TIP3 88 -12.171 -26.256 14.925 0.00 0.00 WAT1 ATOM 2245 OH2 TIP3 89 -4.778 -33.982 11.261 0.00 0.00 WAT1 ATOM 2246 H1 TIP3 89 -4.993 -34.748 11.793 0.00 0.00 WAT1 ATOM 2247 H2 TIP3 89 -4.122 -33.510 11.774 0.00 0.00 WAT1 ATOM 2248 OH2 TIP3 90 -14.477 -24.846 16.028 0.00 0.00 WAT1 ATOM 2249 H1 TIP3 90 -14.483 -23.967 15.650 0.00 0.00 WAT1 ATOM 2250 H2 TIP3 90 -15.331 -24.929 16.453 0.00 0.00 WAT1 ATOM 2251 OH2 TIP3 91 -4.731 -23.553 13.523 0.00 0.00 WAT1 ATOM 2252 H1 TIP3 91 -5.673 -23.495 13.684 0.00 0.00 WAT1 ATOM 2253 H2 TIP3 91 -4.455 -22.647 13.386 0.00 0.00 WAT1 ATOM 2254 OH2 TIP3 92 -11.428 -37.180 12.406 0.00 0.00 WAT1 ATOM 2255 H1 TIP3 92 -11.545 -38.129 12.352 0.00 0.00 WAT1 ATOM 2256 H2 TIP3 92 -12.283 -36.848 12.679 0.00 0.00 WAT1 ATOM 2257 OH2 TIP3 93 -6.479 -21.772 10.148 0.00 0.00 WAT1 ATOM 2258 H1 TIP3 93 -6.054 -22.479 9.663 0.00 0.00 WAT1 ATOM 2259 H2 TIP3 93 -6.162 -20.971 9.731 0.00 0.00 WAT1 ATOM 2260 OH2 TIP3 94 -5.320 -23.871 8.657 0.00 0.00 WAT1 ATOM 2261 H1 TIP3 94 -5.577 -24.561 8.045 0.00 0.00 WAT1 ATOM 2262 H2 TIP3 94 -5.249 -24.314 9.502 0.00 0.00 WAT1 ATOM 2263 OH2 TIP3 95 -12.743 -24.075 12.422 0.00 0.00 WAT1 ATOM 2264 H1 TIP3 95 -12.838 -24.653 11.665 0.00 0.00 WAT1 ATOM 2265 H2 TIP3 95 -12.014 -24.446 12.918 0.00 0.00 WAT1 ATOM 2266 OH2 TIP3 96 -13.743 -28.734 13.374 0.00 0.00 WAT1 ATOM 2267 H1 TIP3 96 -13.178 -28.613 12.611 0.00 0.00 WAT1 ATOM 2268 H2 TIP3 96 -13.424 -28.097 14.013 0.00 0.00 WAT1 ATOM 2269 OH2 TIP3 97 -12.863 -24.335 18.091 0.00 0.00 WAT1 ATOM 2270 H1 TIP3 97 -13.175 -23.553 18.547 0.00 0.00 WAT1 ATOM 2271 H2 TIP3 97 -13.513 -24.488 17.405 0.00 0.00 WAT1 ATOM 2272 OH2 TIP3 98 -9.158 -22.234 8.978 0.00 0.00 WAT1 ATOM 2273 H1 TIP3 98 -8.684 -21.939 9.756 0.00 0.00 WAT1 ATOM 2274 H2 TIP3 98 -9.721 -21.496 8.745 0.00 0.00 WAT1 ATOM 2275 OH2 TIP3 99 -14.624 -22.263 18.855 0.00 0.00 WAT1 ATOM 2276 H1 TIP3 99 -14.616 -22.399 17.907 0.00 0.00 WAT1 ATOM 2277 H2 TIP3 99 -15.540 -22.381 19.107 0.00 0.00 WAT1 ATOM 2278 OH2 TIP3 100 -9.496 -36.555 16.558 0.00 0.00 WAT1 ATOM 2279 H1 TIP3 100 -9.076 -36.970 17.311 0.00 0.00 WAT1 ATOM 2280 H2 TIP3 100 -10.429 -36.733 16.675 0.00 0.00 WAT1 ATOM 2281 OH2 TIP3 101 -9.433 -30.499 19.496 0.00 0.00 WAT1 ATOM 2282 H1 TIP3 101 -9.996 -31.203 19.816 0.00 0.00 WAT1 ATOM 2283 H2 TIP3 101 -8.607 -30.619 19.963 0.00 0.00 WAT1 ATOM 2284 OH2 TIP3 102 -8.267 -29.590 15.493 0.00 0.00 WAT1 ATOM 2285 H1 TIP3 102 -7.943 -30.221 14.850 0.00 0.00 WAT1 ATOM 2286 H2 TIP3 102 -8.707 -30.125 16.154 0.00 0.00 WAT1 ATOM 2287 OH2 TIP3 103 -7.084 -34.428 13.541 0.00 0.00 WAT1 ATOM 2288 H1 TIP3 103 -7.761 -34.297 14.205 0.00 0.00 WAT1 ATOM 2289 H2 TIP3 103 -7.570 -34.583 12.731 0.00 0.00 WAT1 ATOM 2290 OH2 TIP3 104 -11.849 -29.001 19.560 0.00 0.00 WAT1 ATOM 2291 H1 TIP3 104 -12.145 -29.167 18.665 0.00 0.00 WAT1 ATOM 2292 H2 TIP3 104 -10.918 -29.221 19.550 0.00 0.00 WAT1 ATOM 2293 OH2 TIP3 105 -3.202 -22.597 6.282 0.00 0.00 WAT1 ATOM 2294 H1 TIP3 105 -3.575 -23.423 6.592 0.00 0.00 WAT1 ATOM 2295 H2 TIP3 105 -2.925 -22.780 5.385 0.00 0.00 WAT1 ATOM 2296 OH2 TIP3 106 -6.042 -27.789 13.304 0.00 0.00 WAT1 ATOM 2297 H1 TIP3 106 -6.970 -28.021 13.277 0.00 0.00 WAT1 ATOM 2298 H2 TIP3 106 -5.591 -28.566 12.974 0.00 0.00 WAT1 ATOM 2299 OH2 TIP3 107 -8.497 -34.024 15.795 0.00 0.00 WAT1 ATOM 2300 H1 TIP3 107 -7.799 -33.950 16.445 0.00 0.00 WAT1 ATOM 2301 H2 TIP3 107 -8.878 -34.888 15.950 0.00 0.00 WAT1 ATOM 2302 OH2 TIP3 108 -9.977 -31.658 16.912 0.00 0.00 WAT1 ATOM 2303 H1 TIP3 108 -9.858 -31.084 17.669 0.00 0.00 WAT1 ATOM 2304 H2 TIP3 108 -9.322 -32.346 17.027 0.00 0.00 WAT1 ATOM 2305 OH2 TIP3 109 -5.171 -30.000 11.843 0.00 0.00 WAT1 ATOM 2306 H1 TIP3 109 -5.968 -30.415 11.514 0.00 0.00 WAT1 ATOM 2307 H2 TIP3 109 -4.726 -30.691 12.334 0.00 0.00 WAT1 ATOM 2308 OH2 TIP3 110 -4.084 -20.744 13.465 0.00 0.00 WAT1 ATOM 2309 H1 TIP3 110 -4.240 -20.066 12.808 0.00 0.00 WAT1 ATOM 2310 H2 TIP3 110 -3.152 -20.672 13.668 0.00 0.00 WAT1 ATOM 2311 OH2 TIP3 111 -13.773 -21.154 21.313 0.00 0.00 WAT1 ATOM 2312 H1 TIP3 111 -13.005 -21.613 21.654 0.00 0.00 WAT1 ATOM 2313 H2 TIP3 111 -13.794 -21.380 20.383 0.00 0.00 WAT1 ATOM 2314 OH2 TIP3 112 -11.808 -26.293 20.080 0.00 0.00 WAT1 ATOM 2315 H1 TIP3 112 -12.136 -26.022 19.222 0.00 0.00 WAT1 ATOM 2316 H2 TIP3 112 -11.656 -27.234 19.992 0.00 0.00 WAT1 ATOM 2317 OH2 TIP3 113 -8.664 -27.583 20.719 0.00 0.00 WAT1 ATOM 2318 H1 TIP3 113 -7.711 -27.499 20.691 0.00 0.00 WAT1 ATOM 2319 H2 TIP3 113 -8.824 -28.294 21.338 0.00 0.00 WAT1 ATOM 2320 OH2 TIP3 114 -13.344 -32.699 18.524 0.00 0.00 WAT1 ATOM 2321 H1 TIP3 114 -13.194 -33.428 17.921 0.00 0.00 WAT1 ATOM 2322 H2 TIP3 114 -13.342 -31.922 17.965 0.00 0.00 WAT1 ATOM 2323 OH2 TIP3 115 -11.350 -28.890 16.256 0.00 0.00 WAT1 ATOM 2324 H1 TIP3 115 -10.599 -29.046 15.683 0.00 0.00 WAT1 ATOM 2325 H2 TIP3 115 -11.689 -28.038 15.980 0.00 0.00 WAT1 ATOM 2326 OH2 TIP3 116 -12.126 -36.873 16.448 0.00 0.00 WAT1 ATOM 2327 H1 TIP3 116 -12.224 -35.926 16.342 0.00 0.00 WAT1 ATOM 2328 H2 TIP3 116 -12.869 -37.245 15.972 0.00 0.00 WAT1 ATOM 2329 OH2 TIP3 117 -10.862 -32.551 20.011 0.00 0.00 WAT1 ATOM 2330 H1 TIP3 117 -11.098 -32.771 20.913 0.00 0.00 WAT1 ATOM 2331 H2 TIP3 117 -11.645 -32.758 19.502 0.00 0.00 WAT1 ATOM 2332 OH2 TIP3 118 -11.904 -37.579 19.119 0.00 0.00 WAT1 ATOM 2333 H1 TIP3 118 -11.192 -38.219 19.105 0.00 0.00 WAT1 ATOM 2334 H2 TIP3 118 -12.005 -37.312 18.205 0.00 0.00 WAT1 ATOM 2335 OH2 TIP3 119 -11.551 -35.896 21.173 0.00 0.00 WAT1 ATOM 2336 H1 TIP3 119 -11.682 -36.372 20.352 0.00 0.00 WAT1 ATOM 2337 H2 TIP3 119 -12.150 -35.152 21.117 0.00 0.00 WAT1 ATOM 2338 OH2 TIP3 120 -2.053 -26.480 6.768 0.00 0.00 WAT1 ATOM 2339 H1 TIP3 120 -1.203 -26.059 6.896 0.00 0.00 WAT1 ATOM 2340 H2 TIP3 120 -2.048 -27.220 7.376 0.00 0.00 WAT1 ATOM 2341 OH2 TIP3 121 -1.659 -28.427 8.592 0.00 0.00 WAT1 ATOM 2342 H1 TIP3 121 -2.385 -28.906 8.990 0.00 0.00 WAT1 ATOM 2343 H2 TIP3 121 -1.078 -28.221 9.324 0.00 0.00 WAT1 ATOM 2344 OH2 TIP3 122 -1.900 -25.642 13.540 0.00 0.00 WAT1 ATOM 2345 H1 TIP3 122 -1.066 -26.020 13.259 0.00 0.00 WAT1 ATOM 2346 H2 TIP3 122 -1.788 -24.699 13.421 0.00 0.00 WAT1 ATOM 2347 OH2 TIP3 123 -3.872 -29.906 9.155 0.00 0.00 WAT1 ATOM 2348 H1 TIP3 123 -4.022 -30.851 9.135 0.00 0.00 WAT1 ATOM 2349 H2 TIP3 123 -4.226 -29.625 9.999 0.00 0.00 WAT1 ATOM 2350 OH2 TIP3 124 -3.550 -31.742 13.053 0.00 0.00 WAT1 ATOM 2351 H1 TIP3 124 -2.617 -31.530 13.019 0.00 0.00 WAT1 ATOM 2352 H2 TIP3 124 -3.785 -31.640 13.976 0.00 0.00 WAT1 ATOM 2353 OH2 TIP3 125 -3.548 -35.060 7.666 0.00 0.00 WAT1 ATOM 2354 H1 TIP3 125 -3.366 -35.509 8.491 0.00 0.00 WAT1 ATOM 2355 H2 TIP3 125 -4.148 -35.645 7.202 0.00 0.00 WAT1 ATOM 2356 OH2 TIP3 126 -4.630 -20.004 9.266 0.00 0.00 WAT1 ATOM 2357 H1 TIP3 126 -3.977 -20.351 8.658 0.00 0.00 WAT1 ATOM 2358 H2 TIP3 126 -4.119 -19.515 9.912 0.00 0.00 WAT1 ATOM 2359 OH2 TIP3 127 -14.291 -22.100 16.068 0.00 0.00 WAT1 ATOM 2360 H1 TIP3 127 -14.716 -21.291 15.785 0.00 0.00 WAT1 ATOM 2361 H2 TIP3 127 -13.386 -22.015 15.766 0.00 0.00 WAT1 ATOM 2362 OH2 TIP3 128 -14.422 -19.244 15.145 0.00 0.00 WAT1 ATOM 2363 H1 TIP3 128 -15.287 -19.172 15.549 0.00 0.00 WAT1 ATOM 2364 H2 TIP3 128 -14.477 -18.697 14.361 0.00 0.00 WAT1 ATOM 2365 OH2 TIP3 129 -12.796 -21.041 12.529 0.00 0.00 WAT1 ATOM 2366 H1 TIP3 129 -12.583 -21.929 12.242 0.00 0.00 WAT1 ATOM 2367 H2 TIP3 129 -12.731 -21.075 13.484 0.00 0.00 WAT1 ATOM 2368 OH2 TIP3 130 -9.287 -35.377 11.674 0.00 0.00 WAT1 ATOM 2369 H1 TIP3 130 -9.962 -36.006 11.929 0.00 0.00 WAT1 ATOM 2370 H2 TIP3 130 -8.723 -35.861 11.071 0.00 0.00 WAT1 ATOM 2371 OH2 TIP3 131 -4.145 -37.270 11.786 0.00 0.00 WAT1 ATOM 2372 H1 TIP3 131 -3.541 -36.722 11.285 0.00 0.00 WAT1 ATOM 2373 H2 TIP3 131 -5.014 -36.950 11.546 0.00 0.00 WAT1 ATOM 2374 OH2 TIP3 132 -2.418 -36.131 10.120 0.00 0.00 WAT1 ATOM 2375 H1 TIP3 132 -1.806 -36.645 9.593 0.00 0.00 WAT1 ATOM 2376 H2 TIP3 132 -2.035 -35.253 10.143 0.00 0.00 WAT1 ATOM 2377 OH2 TIP3 133 -6.824 -36.786 10.958 0.00 0.00 WAT1 ATOM 2378 H1 TIP3 133 -6.748 -36.691 10.009 0.00 0.00 WAT1 ATOM 2379 H2 TIP3 133 -7.100 -37.694 11.087 0.00 0.00 WAT1 ATOM 2380 OH2 TIP3 134 -2.650 -20.224 7.274 0.00 0.00 WAT1 ATOM 2381 H1 TIP3 134 -2.844 -20.972 6.709 0.00 0.00 WAT1 ATOM 2382 H2 TIP3 134 -2.689 -19.466 6.690 0.00 0.00 WAT1 ATOM 2383 OH2 TIP3 135 -8.132 -20.288 30.243 0.00 0.00 WAT1 ATOM 2384 H1 TIP3 135 -7.512 -20.965 29.970 0.00 0.00 WAT1 ATOM 2385 H2 TIP3 135 -8.340 -20.506 31.151 0.00 0.00 WAT1 ATOM 2386 OH2 TIP3 136 -10.560 -25.899 32.135 0.00 0.00 WAT1 ATOM 2387 H1 TIP3 136 -10.256 -26.585 31.541 0.00 0.00 WAT1 ATOM 2388 H2 TIP3 136 -9.838 -25.781 32.753 0.00 0.00 WAT1 ATOM 2389 OH2 TIP3 137 -12.488 -29.457 29.713 0.00 0.00 WAT1 ATOM 2390 H1 TIP3 137 -11.872 -29.983 30.222 0.00 0.00 WAT1 ATOM 2391 H2 TIP3 137 -13.074 -30.097 29.309 0.00 0.00 WAT1 ATOM 2392 OH2 TIP3 138 -8.085 -24.986 27.353 0.00 0.00 WAT1 ATOM 2393 H1 TIP3 138 -8.381 -25.308 26.502 0.00 0.00 WAT1 ATOM 2394 H2 TIP3 138 -8.409 -24.086 27.395 0.00 0.00 WAT1 ATOM 2395 OH2 TIP3 139 -12.885 -26.810 34.097 0.00 0.00 WAT1 ATOM 2396 H1 TIP3 139 -13.625 -26.212 34.200 0.00 0.00 WAT1 ATOM 2397 H2 TIP3 139 -12.171 -26.256 33.781 0.00 0.00 WAT1 ATOM 2398 OH2 TIP3 140 -11.428 -37.180 31.262 0.00 0.00 WAT1 ATOM 2399 H1 TIP3 140 -11.545 -38.129 31.208 0.00 0.00 WAT1 ATOM 2400 H2 TIP3 140 -12.283 -36.848 31.535 0.00 0.00 WAT1 ATOM 2401 OH2 TIP3 141 -9.161 -28.343 25.762 0.00 0.00 WAT1 ATOM 2402 H1 TIP3 141 -9.873 -27.808 25.411 0.00 0.00 WAT1 ATOM 2403 H2 TIP3 141 -8.470 -28.287 25.102 0.00 0.00 WAT1 ATOM 2404 OH2 TIP3 142 -9.107 -29.885 22.801 0.00 0.00 WAT1 ATOM 2405 H1 TIP3 142 -8.406 -29.863 23.452 0.00 0.00 WAT1 ATOM 2406 H2 TIP3 142 -8.805 -30.513 22.145 0.00 0.00 WAT1 ATOM 2407 OH2 TIP3 143 -10.100 -23.050 36.443 0.00 0.00 WAT1 ATOM 2408 H1 TIP3 143 -10.013 -22.224 36.918 0.00 0.00 WAT1 ATOM 2409 H2 TIP3 143 -10.964 -23.380 36.692 0.00 0.00 WAT1 ATOM 2410 OH2 TIP3 144 -9.496 -36.555 35.414 0.00 0.00 WAT1 ATOM 2411 H1 TIP3 144 -9.076 -36.970 36.167 0.00 0.00 WAT1 ATOM 2412 H2 TIP3 144 -10.429 -36.733 35.531 0.00 0.00 WAT1 ATOM 2413 OH2 TIP3 145 -9.433 -30.499 38.352 0.00 0.00 WAT1 ATOM 2414 H1 TIP3 145 -9.996 -31.203 38.672 0.00 0.00 WAT1 ATOM 2415 H2 TIP3 145 -8.607 -30.619 38.819 0.00 0.00 WAT1 ATOM 2416 OH2 TIP3 146 -7.531 -31.228 29.678 0.00 0.00 WAT1 ATOM 2417 H1 TIP3 146 -7.726 -30.623 28.963 0.00 0.00 WAT1 ATOM 2418 H2 TIP3 146 -7.349 -32.062 29.243 0.00 0.00 WAT1 ATOM 2419 OH2 TIP3 147 -12.952 -33.617 21.800 0.00 0.00 WAT1 ATOM 2420 H1 TIP3 147 -13.383 -34.062 22.530 0.00 0.00 WAT1 ATOM 2421 H2 TIP3 147 -13.670 -33.245 21.288 0.00 0.00 WAT1 ATOM 2422 OH2 TIP3 148 -11.489 -33.663 29.133 0.00 0.00 WAT1 ATOM 2423 H1 TIP3 148 -12.400 -33.606 29.422 0.00 0.00 WAT1 ATOM 2424 H2 TIP3 148 -10.984 -33.723 29.944 0.00 0.00 WAT1 ATOM 2425 OH2 TIP3 149 -13.008 -32.034 25.616 0.00 0.00 WAT1 ATOM 2426 H1 TIP3 149 -12.076 -31.905 25.794 0.00 0.00 WAT1 ATOM 2427 H2 TIP3 149 -13.223 -31.364 24.967 0.00 0.00 WAT1 ATOM 2428 OH2 TIP3 150 -3.797 -18.756 38.674 0.00 0.00 WAT1 ATOM 2429 H1 TIP3 150 -3.597 -18.332 37.839 0.00 0.00 WAT1 ATOM 2430 H2 TIP3 150 -3.141 -18.413 39.281 0.00 0.00 WAT1 ATOM 2431 OH2 TIP3 151 -10.169 -30.875 31.020 0.00 0.00 WAT1 ATOM 2432 H1 TIP3 151 -9.605 -31.422 30.473 0.00 0.00 WAT1 ATOM 2433 H2 TIP3 151 -10.317 -31.397 31.809 0.00 0.00 WAT1 ATOM 2434 OH2 TIP3 152 -11.543 -32.487 33.434 0.00 0.00 WAT1 ATOM 2435 H1 TIP3 152 -12.378 -32.033 33.544 0.00 0.00 WAT1 ATOM 2436 H2 TIP3 152 -11.019 -32.211 34.186 0.00 0.00 WAT1 ATOM 2437 OH2 TIP3 153 -10.999 -26.274 25.119 0.00 0.00 WAT1 ATOM 2438 H1 TIP3 153 -11.743 -26.781 24.796 0.00 0.00 WAT1 ATOM 2439 H2 TIP3 153 -11.133 -26.225 26.065 0.00 0.00 WAT1 ATOM 2440 OH2 TIP3 154 -9.479 -26.090 36.356 0.00 0.00 WAT1 ATOM 2441 H1 TIP3 154 -9.825 -26.471 37.162 0.00 0.00 WAT1 ATOM 2442 H2 TIP3 154 -9.679 -25.156 36.427 0.00 0.00 WAT1 ATOM 2443 OH2 TIP3 155 -11.849 -29.001 38.416 0.00 0.00 WAT1 ATOM 2444 H1 TIP3 155 -12.145 -29.167 37.521 0.00 0.00 WAT1 ATOM 2445 H2 TIP3 155 -10.918 -29.221 38.406 0.00 0.00 WAT1 ATOM 2446 OH2 TIP3 156 -7.229 -23.628 36.306 0.00 0.00 WAT1 ATOM 2447 H1 TIP3 156 -8.130 -23.445 36.038 0.00 0.00 WAT1 ATOM 2448 H2 TIP3 156 -7.195 -23.369 37.227 0.00 0.00 WAT1 ATOM 2449 OH2 TIP3 157 -13.499 -23.461 28.293 0.00 0.00 WAT1 ATOM 2450 H1 TIP3 157 -12.972 -22.688 28.092 0.00 0.00 WAT1 ATOM 2451 H2 TIP3 157 -14.379 -23.236 27.991 0.00 0.00 WAT1 ATOM 2452 OH2 TIP3 158 -12.072 -25.798 27.869 0.00 0.00 WAT1 ATOM 2453 H1 TIP3 158 -12.313 -24.873 27.911 0.00 0.00 WAT1 ATOM 2454 H2 TIP3 158 -12.812 -26.257 28.265 0.00 0.00 WAT1 ATOM 2455 OH2 TIP3 159 -13.388 -20.776 27.414 0.00 0.00 WAT1 ATOM 2456 H1 TIP3 159 -14.338 -20.671 27.466 0.00 0.00 WAT1 ATOM 2457 H2 TIP3 159 -13.037 -19.956 27.759 0.00 0.00 WAT1 ATOM 2458 OH2 TIP3 160 -5.354 -20.998 36.354 0.00 0.00 WAT1 ATOM 2459 H1 TIP3 160 -5.956 -21.553 35.859 0.00 0.00 WAT1 ATOM 2460 H2 TIP3 160 -5.073 -20.331 35.728 0.00 0.00 WAT1 ATOM 2461 OH2 TIP3 161 -11.719 -23.509 21.406 0.00 0.00 WAT1 ATOM 2462 H1 TIP3 161 -11.480 -24.257 20.858 0.00 0.00 WAT1 ATOM 2463 H2 TIP3 161 -11.988 -23.897 22.238 0.00 0.00 WAT1 ATOM 2464 OH2 TIP3 162 -12.782 -23.939 23.862 0.00 0.00 WAT1 ATOM 2465 H1 TIP3 162 -12.635 -24.459 24.652 0.00 0.00 WAT1 ATOM 2466 H2 TIP3 162 -12.785 -23.032 24.168 0.00 0.00 WAT1 ATOM 2467 OH2 TIP3 163 -10.513 -32.644 26.583 0.00 0.00 WAT1 ATOM 2468 H1 TIP3 163 -9.701 -32.140 26.629 0.00 0.00 WAT1 ATOM 2469 H2 TIP3 163 -10.758 -32.789 27.497 0.00 0.00 WAT1 ATOM 2470 OH2 TIP3 164 -9.977 -31.658 35.768 0.00 0.00 WAT1 ATOM 2471 H1 TIP3 164 -9.858 -31.084 36.525 0.00 0.00 WAT1 ATOM 2472 H2 TIP3 164 -9.322 -32.346 35.883 0.00 0.00 WAT1 ATOM 2473 OH2 TIP3 165 -9.629 -35.563 27.521 0.00 0.00 WAT1 ATOM 2474 H1 TIP3 165 -9.976 -34.945 28.166 0.00 0.00 WAT1 ATOM 2475 H2 TIP3 165 -8.971 -35.062 27.040 0.00 0.00 WAT1 ATOM 2476 OH2 TIP3 166 -13.972 -34.500 24.209 0.00 0.00 WAT1 ATOM 2477 H1 TIP3 166 -14.055 -33.611 24.555 0.00 0.00 WAT1 ATOM 2478 H2 TIP3 166 -13.082 -34.765 24.440 0.00 0.00 WAT1 ATOM 2479 OH2 TIP3 167 -15.713 -24.072 23.269 0.00 0.00 WAT1 ATOM 2480 H1 TIP3 167 -15.121 -23.373 23.545 0.00 0.00 WAT1 ATOM 2481 H2 TIP3 167 -15.254 -24.505 22.550 0.00 0.00 WAT1 ATOM 2482 OH2 TIP3 168 -7.196 -22.774 38.898 0.00 0.00 WAT1 ATOM 2483 H1 TIP3 168 -7.547 -23.630 39.141 0.00 0.00 WAT1 ATOM 2484 H2 TIP3 168 -6.470 -22.631 39.505 0.00 0.00 WAT1 ATOM 2485 OH2 TIP3 169 -14.122 -25.919 21.635 0.00 0.00 WAT1 ATOM 2486 H1 TIP3 169 -14.058 -26.713 22.166 0.00 0.00 WAT1 ATOM 2487 H2 TIP3 169 -13.469 -26.038 20.946 0.00 0.00 WAT1 ATOM 2488 OH2 TIP3 170 -12.973 -27.947 23.941 0.00 0.00 WAT1 ATOM 2489 H1 TIP3 170 -13.432 -28.431 24.627 0.00 0.00 WAT1 ATOM 2490 H2 TIP3 170 -12.718 -28.615 23.305 0.00 0.00 WAT1 ATOM 2491 OH2 TIP3 171 -11.902 -29.704 22.204 0.00 0.00 WAT1 ATOM 2492 H1 TIP3 171 -12.082 -29.858 21.276 0.00 0.00 WAT1 ATOM 2493 H2 TIP3 171 -10.951 -29.596 22.248 0.00 0.00 WAT1 ATOM 2494 OH2 TIP3 172 -8.664 -27.583 39.575 0.00 0.00 WAT1 ATOM 2495 H1 TIP3 172 -7.711 -27.499 39.547 0.00 0.00 WAT1 ATOM 2496 H2 TIP3 172 -8.824 -28.294 40.194 0.00 0.00 WAT1 ATOM 2497 OH2 TIP3 173 -11.350 -28.890 35.112 0.00 0.00 WAT1 ATOM 2498 H1 TIP3 173 -10.599 -29.046 34.539 0.00 0.00 WAT1 ATOM 2499 H2 TIP3 173 -11.689 -28.038 34.836 0.00 0.00 WAT1 ATOM 2500 OH2 TIP3 174 -6.934 -31.075 40.140 0.00 0.00 WAT1 ATOM 2501 H1 TIP3 174 -6.742 -32.006 40.029 0.00 0.00 WAT1 ATOM 2502 H2 TIP3 174 -6.077 -30.650 40.130 0.00 0.00 WAT1 ATOM 2503 OH2 TIP3 175 -5.618 -28.286 38.218 0.00 0.00 WAT1 ATOM 2504 H1 TIP3 175 -5.899 -27.577 37.640 0.00 0.00 WAT1 ATOM 2505 H2 TIP3 175 -4.675 -28.359 38.067 0.00 0.00 WAT1 ATOM 2506 OH2 TIP3 176 -12.126 -36.873 35.304 0.00 0.00 WAT1 ATOM 2507 H1 TIP3 176 -12.224 -35.926 35.198 0.00 0.00 WAT1 ATOM 2508 H2 TIP3 176 -12.869 -37.245 34.828 0.00 0.00 WAT1 ATOM 2509 OH2 TIP3 177 -10.862 -32.551 38.867 0.00 0.00 WAT1 ATOM 2510 H1 TIP3 177 -11.098 -32.771 39.769 0.00 0.00 WAT1 ATOM 2511 H2 TIP3 177 -11.645 -32.758 38.358 0.00 0.00 WAT1 ATOM 2512 OH2 TIP3 178 -8.146 -33.424 37.943 0.00 0.00 WAT1 ATOM 2513 H1 TIP3 178 -9.094 -33.392 38.075 0.00 0.00 WAT1 ATOM 2514 H2 TIP3 178 -7.834 -34.049 38.597 0.00 0.00 WAT1 ATOM 2515 OH2 TIP3 179 -6.512 -34.790 39.948 0.00 0.00 WAT1 ATOM 2516 H1 TIP3 179 -6.609 -35.742 39.942 0.00 0.00 WAT1 ATOM 2517 H2 TIP3 179 -6.834 -34.521 40.809 0.00 0.00 WAT1 ATOM 2518 OH2 TIP3 180 -3.354 -24.737 40.110 0.00 0.00 WAT1 ATOM 2519 H1 TIP3 180 -4.220 -24.842 40.504 0.00 0.00 WAT1 ATOM 2520 H2 TIP3 180 -2.978 -23.978 40.557 0.00 0.00 WAT1 ATOM 2521 OH2 TIP3 181 -9.711 -19.356 33.177 0.00 0.00 WAT1 ATOM 2522 H1 TIP3 181 -10.168 -18.827 32.523 0.00 0.00 WAT1 ATOM 2523 H2 TIP3 181 -9.548 -18.753 33.902 0.00 0.00 WAT1 ATOM 2524 OH2 TIP3 182 -7.384 -20.478 34.122 0.00 0.00 WAT1 ATOM 2525 H1 TIP3 182 -8.288 -20.313 33.856 0.00 0.00 WAT1 ATOM 2526 H2 TIP3 182 -6.955 -19.625 34.056 0.00 0.00 WAT1 ATOM 2527 OH2 TIP3 183 -4.779 -18.908 34.417 0.00 0.00 WAT1 ATOM 2528 H1 TIP3 183 -4.961 -17.992 34.206 0.00 0.00 WAT1 ATOM 2529 H2 TIP3 183 -4.603 -19.318 33.570 0.00 0.00 WAT1 ATOM 2530 OH2 TIP3 184 -9.287 -35.377 30.530 0.00 0.00 WAT1 ATOM 2531 H1 TIP3 184 -9.962 -36.006 30.785 0.00 0.00 WAT1 ATOM 2532 H2 TIP3 184 -8.723 -35.861 29.927 0.00 0.00 WAT1 ATOM 2533 OH2 TIP3 185 -12.381 -36.816 28.165 0.00 0.00 WAT1 ATOM 2534 H1 TIP3 185 -11.507 -36.428 28.135 0.00 0.00 WAT1 ATOM 2535 H2 TIP3 185 -12.517 -37.031 29.088 0.00 0.00 WAT1 ATOM 2536 OH2 TIP3 186 -6.824 -36.786 29.814 0.00 0.00 WAT1 ATOM 2537 H1 TIP3 186 -6.748 -36.691 28.865 0.00 0.00 WAT1 ATOM 2538 H2 TIP3 186 -7.100 -37.694 29.943 0.00 0.00 WAT1 ATOM 2539 OH2 TIP3 187 -11.237 -34.736 25.055 0.00 0.00 WAT1 ATOM 2540 H1 TIP3 187 -11.059 -35.382 25.738 0.00 0.00 WAT1 ATOM 2541 H2 TIP3 187 -11.291 -33.902 25.522 0.00 0.00 WAT1 ATOM 2542 OH2 TIP3 188 -16.405 -20.077 22.078 0.00 0.00 WAT1 ATOM 2543 H1 TIP3 188 -16.673 -19.790 22.951 0.00 0.00 WAT1 ATOM 2544 H2 TIP3 188 -15.634 -20.623 22.230 0.00 0.00 WAT1 ATOM 2545 OH2 TIP3 189 -6.608 -37.546 39.587 0.00 0.00 WAT1 ATOM 2546 H1 TIP3 189 -6.532 -37.972 40.441 0.00 0.00 WAT1 ATOM 2547 H2 TIP3 189 -5.715 -37.532 39.245 0.00 0.00 WAT1 ATOM 2548 OH2 TIP3 190 -3.432 -21.473 38.280 0.00 0.00 WAT1 ATOM 2549 H1 TIP3 190 -4.214 -21.659 37.760 0.00 0.00 WAT1 ATOM 2550 H2 TIP3 190 -3.504 -20.544 38.497 0.00 0.00 WAT1 ATOM 2551 OH2 TIP3 191 -3.186 -37.221 43.068 0.00 0.00 WAT1 ATOM 2552 H1 TIP3 191 -4.085 -37.082 43.363 0.00 0.00 WAT1 ATOM 2553 H2 TIP3 191 -2.934 -36.390 42.666 0.00 0.00 WAT1 ATOM 2554 OH2 TIP3 192 -1.996 -22.855 41.445 0.00 0.00 WAT1 ATOM 2555 H1 TIP3 192 -1.923 -21.916 41.615 0.00 0.00 WAT1 ATOM 2556 H2 TIP3 192 -1.091 -23.160 41.388 0.00 0.00 WAT1 ATOM 2557 OH2 TIP3 193 -5.407 -27.938 40.885 0.00 0.00 WAT1 ATOM 2558 H1 TIP3 193 -5.365 -28.161 39.955 0.00 0.00 WAT1 ATOM 2559 H2 TIP3 193 -4.558 -27.540 41.075 0.00 0.00 WAT1 ATOM 2560 OH2 TIP3 194 -1.498 -31.383 43.529 0.00 0.00 WAT1 ATOM 2561 H1 TIP3 194 -2.052 -31.779 42.857 0.00 0.00 WAT1 ATOM 2562 H2 TIP3 194 -1.397 -30.473 43.252 0.00 0.00 WAT1 ATOM 2563 OH2 TIP3 195 -1.306 -20.141 42.016 0.00 0.00 WAT1 ATOM 2564 H1 TIP3 195 -0.563 -19.555 41.876 0.00 0.00 WAT1 ATOM 2565 H2 TIP3 195 -2.001 -19.573 42.349 0.00 0.00 WAT1 ATOM 2566 OH2 TIP3 196 -5.077 -21.829 40.634 0.00 0.00 WAT1 ATOM 2567 H1 TIP3 196 -4.794 -22.623 41.087 0.00 0.00 WAT1 ATOM 2568 H2 TIP3 196 -4.337 -21.596 40.073 0.00 0.00 WAT1 ATOM 2569 OH2 TIP3 197 -8.770 -24.872 40.227 0.00 0.00 WAT1 ATOM 2570 H1 TIP3 197 -9.038 -24.692 41.128 0.00 0.00 WAT1 ATOM 2571 H2 TIP3 197 -8.976 -25.798 40.096 0.00 0.00 WAT1 ATOM 2572 OH2 TIP3 198 -2.512 -27.349 40.505 0.00 0.00 WAT1 ATOM 2573 H1 TIP3 198 -2.785 -27.774 39.692 0.00 0.00 WAT1 ATOM 2574 H2 TIP3 198 -2.472 -26.418 40.288 0.00 0.00 WAT1 ATOM 2575 OH2 TIP3 199 -1.391 -28.526 42.695 0.00 0.00 WAT1 ATOM 2576 H1 TIP3 199 -1.912 -28.169 41.976 0.00 0.00 WAT1 ATOM 2577 H2 TIP3 199 -1.424 -27.851 43.373 0.00 0.00 WAT1 ATOM 2578 OH2 TIP3 200 -3.042 -31.286 41.246 0.00 0.00 WAT1 ATOM 2579 H1 TIP3 200 -2.945 -30.619 40.566 0.00 0.00 WAT1 ATOM 2580 H2 TIP3 200 -3.182 -32.102 40.764 0.00 0.00 WAT1 ATOM 2581 OH2 TIP3 201 -3.794 -33.878 40.363 0.00 0.00 WAT1 ATOM 2582 H1 TIP3 201 -3.184 -34.250 41.000 0.00 0.00 WAT1 ATOM 2583 H2 TIP3 201 -4.631 -34.300 40.559 0.00 0.00 WAT1 ATOM 2584 OH2 TIP3 202 -1.682 -34.993 41.906 0.00 0.00 WAT1 ATOM 2585 H1 TIP3 202 -1.269 -35.714 41.430 0.00 0.00 WAT1 ATOM 2586 H2 TIP3 202 -1.000 -34.323 41.964 0.00 0.00 WAT1 ATOM 2587 OH2 TIP3 203 -5.471 -36.760 44.363 0.00 0.00 WAT1 ATOM 2588 H1 TIP3 203 -6.174 -36.146 44.153 0.00 0.00 WAT1 ATOM 2589 H2 TIP3 203 -5.916 -37.598 44.494 0.00 0.00 WAT1 ATOM 2590 OH2 TIP3 204 -1.897 -15.442 14.140 0.00 0.00 WAT1 ATOM 2591 H1 TIP3 204 -1.848 -14.832 14.876 0.00 0.00 WAT1 ATOM 2592 H2 TIP3 204 -1.471 -14.981 13.417 0.00 0.00 WAT1 ATOM 2593 OH2 TIP3 205 -1.505 -13.964 16.376 0.00 0.00 WAT1 ATOM 2594 H1 TIP3 205 -2.194 -13.306 16.281 0.00 0.00 WAT1 ATOM 2595 H2 TIP3 205 -1.490 -14.161 17.313 0.00 0.00 WAT1 ATOM 2596 OH2 TIP3 206 -4.431 -16.411 14.940 0.00 0.00 WAT1 ATOM 2597 H1 TIP3 206 -5.167 -15.800 14.902 0.00 0.00 WAT1 ATOM 2598 H2 TIP3 206 -3.747 -15.996 14.414 0.00 0.00 WAT1 ATOM 2599 OH2 TIP3 207 -11.428 -18.324 12.406 0.00 0.00 WAT1 ATOM 2600 H1 TIP3 207 -11.545 -19.273 12.352 0.00 0.00 WAT1 ATOM 2601 H2 TIP3 207 -12.283 -17.992 12.679 0.00 0.00 WAT1 ATOM 2602 OH2 TIP3 208 -3.927 -12.275 19.191 0.00 0.00 WAT1 ATOM 2603 H1 TIP3 208 -4.334 -11.794 18.471 0.00 0.00 WAT1 ATOM 2604 H2 TIP3 208 -3.886 -13.180 18.884 0.00 0.00 WAT1 ATOM 2605 OH2 TIP3 209 -14.159 -17.421 13.184 0.00 0.00 WAT1 ATOM 2606 H1 TIP3 209 -15.020 -17.508 12.776 0.00 0.00 WAT1 ATOM 2607 H2 TIP3 209 -14.181 -16.565 13.611 0.00 0.00 WAT1 ATOM 2608 OH2 TIP3 210 -6.170 -13.943 17.412 0.00 0.00 WAT1 ATOM 2609 H1 TIP3 210 -6.684 -14.069 18.209 0.00 0.00 WAT1 ATOM 2610 H2 TIP3 210 -6.325 -13.031 17.167 0.00 0.00 WAT1 ATOM 2611 OH2 TIP3 211 -9.433 -11.643 19.496 0.00 0.00 WAT1 ATOM 2612 H1 TIP3 211 -9.996 -12.347 19.816 0.00 0.00 WAT1 ATOM 2613 H2 TIP3 211 -8.607 -11.763 19.963 0.00 0.00 WAT1 ATOM 2614 OH2 TIP3 212 -7.084 -15.572 13.541 0.00 0.00 WAT1 ATOM 2615 H1 TIP3 212 -7.761 -15.441 14.205 0.00 0.00 WAT1 ATOM 2616 H2 TIP3 212 -7.570 -15.727 12.731 0.00 0.00 WAT1 ATOM 2617 OH2 TIP3 213 -8.497 -15.168 15.795 0.00 0.00 WAT1 ATOM 2618 H1 TIP3 213 -7.799 -15.094 16.445 0.00 0.00 WAT1 ATOM 2619 H2 TIP3 213 -8.878 -16.032 15.950 0.00 0.00 WAT1 ATOM 2620 OH2 TIP3 214 -9.977 -12.802 16.912 0.00 0.00 WAT1 ATOM 2621 H1 TIP3 214 -9.858 -12.228 17.669 0.00 0.00 WAT1 ATOM 2622 H2 TIP3 214 -9.322 -13.490 17.027 0.00 0.00 WAT1 ATOM 2623 OH2 TIP3 215 -3.773 -14.895 17.747 0.00 0.00 WAT1 ATOM 2624 H1 TIP3 215 -4.689 -14.632 17.659 0.00 0.00 WAT1 ATOM 2625 H2 TIP3 215 -3.437 -14.898 16.850 0.00 0.00 WAT1 ATOM 2626 OH2 TIP3 216 -12.932 -15.473 16.016 0.00 0.00 WAT1 ATOM 2627 H1 TIP3 216 -12.396 -15.022 15.364 0.00 0.00 WAT1 ATOM 2628 H2 TIP3 216 -13.784 -15.581 15.594 0.00 0.00 WAT1 ATOM 2629 OH2 TIP3 217 -6.934 -12.219 21.284 0.00 0.00 WAT1 ATOM 2630 H1 TIP3 217 -6.742 -13.150 21.173 0.00 0.00 WAT1 ATOM 2631 H2 TIP3 217 -6.077 -11.794 21.274 0.00 0.00 WAT1 ATOM 2632 OH2 TIP3 218 -12.126 -18.017 16.448 0.00 0.00 WAT1 ATOM 2633 H1 TIP3 218 -12.224 -17.070 16.342 0.00 0.00 WAT1 ATOM 2634 H2 TIP3 218 -12.869 -18.389 15.972 0.00 0.00 WAT1 ATOM 2635 OH2 TIP3 219 -10.862 -13.695 20.011 0.00 0.00 WAT1 ATOM 2636 H1 TIP3 219 -11.098 -13.915 20.913 0.00 0.00 WAT1 ATOM 2637 H2 TIP3 219 -11.645 -13.902 19.502 0.00 0.00 WAT1 ATOM 2638 OH2 TIP3 220 -8.146 -14.568 19.087 0.00 0.00 WAT1 ATOM 2639 H1 TIP3 220 -9.094 -14.536 19.219 0.00 0.00 WAT1 ATOM 2640 H2 TIP3 220 -7.834 -15.193 19.741 0.00 0.00 WAT1 ATOM 2641 OH2 TIP3 221 -11.551 -17.040 21.173 0.00 0.00 WAT1 ATOM 2642 H1 TIP3 221 -11.682 -17.516 20.352 0.00 0.00 WAT1 ATOM 2643 H2 TIP3 221 -12.150 -16.296 21.117 0.00 0.00 WAT1 ATOM 2644 OH2 TIP3 222 -1.519 -11.177 19.478 0.00 0.00 WAT1 ATOM 2645 H1 TIP3 222 -2.382 -11.556 19.313 0.00 0.00 WAT1 ATOM 2646 H2 TIP3 222 -0.915 -11.916 19.404 0.00 0.00 WAT1 ATOM 2647 OH2 TIP3 223 -9.287 -16.521 11.674 0.00 0.00 WAT1 ATOM 2648 H1 TIP3 223 -9.962 -17.150 11.929 0.00 0.00 WAT1 ATOM 2649 H2 TIP3 223 -8.723 -17.005 11.071 0.00 0.00 WAT1 ATOM 2650 OH2 TIP3 224 -4.145 -18.414 11.786 0.00 0.00 WAT1 ATOM 2651 H1 TIP3 224 -3.541 -17.866 11.285 0.00 0.00 WAT1 ATOM 2652 H2 TIP3 224 -5.014 -18.094 11.546 0.00 0.00 WAT1 ATOM 2653 OH2 TIP3 225 -2.418 -17.275 10.120 0.00 0.00 WAT1 ATOM 2654 H1 TIP3 225 -1.806 -17.789 9.593 0.00 0.00 WAT1 ATOM 2655 H2 TIP3 225 -2.035 -16.397 10.143 0.00 0.00 WAT1 ATOM 2656 OH2 TIP3 226 -6.824 -17.930 10.958 0.00 0.00 WAT1 ATOM 2657 H1 TIP3 226 -6.748 -17.835 10.009 0.00 0.00 WAT1 ATOM 2658 H2 TIP3 226 -7.100 -18.838 11.087 0.00 0.00 WAT1 ATOM 2659 OH2 TIP3 227 -15.030 -18.022 20.549 0.00 0.00 WAT1 ATOM 2660 H1 TIP3 227 -14.131 -18.296 20.364 0.00 0.00 WAT1 ATOM 2661 H2 TIP3 227 -15.416 -18.765 21.013 0.00 0.00 WAT1 ATOM 2662 OH2 TIP3 228 -1.897 -15.442 32.996 0.00 0.00 WAT1 ATOM 2663 H1 TIP3 228 -1.848 -14.832 33.732 0.00 0.00 WAT1 ATOM 2664 H2 TIP3 228 -1.471 -14.981 32.273 0.00 0.00 WAT1 ATOM 2665 OH2 TIP3 229 -7.419 -12.649 32.463 0.00 0.00 WAT1 ATOM 2666 H1 TIP3 229 -7.276 -13.596 32.483 0.00 0.00 WAT1 ATOM 2667 H2 TIP3 229 -7.525 -12.442 31.534 0.00 0.00 WAT1 ATOM 2668 OH2 TIP3 230 -1.505 -13.964 35.232 0.00 0.00 WAT1 ATOM 2669 H1 TIP3 230 -2.194 -13.306 35.137 0.00 0.00 WAT1 ATOM 2670 H2 TIP3 230 -1.490 -14.161 36.169 0.00 0.00 WAT1 ATOM 2671 OH2 TIP3 231 -4.778 -15.126 30.117 0.00 0.00 WAT1 ATOM 2672 H1 TIP3 231 -4.993 -15.892 30.649 0.00 0.00 WAT1 ATOM 2673 H2 TIP3 231 -4.122 -14.654 30.630 0.00 0.00 WAT1 ATOM 2674 OH2 TIP3 232 -4.431 -16.411 33.796 0.00 0.00 WAT1 ATOM 2675 H1 TIP3 232 -5.167 -15.800 33.758 0.00 0.00 WAT1 ATOM 2676 H2 TIP3 232 -3.747 -15.996 33.270 0.00 0.00 WAT1 ATOM 2677 OH2 TIP3 233 -11.428 -18.324 31.262 0.00 0.00 WAT1 ATOM 2678 H1 TIP3 233 -11.545 -19.273 31.208 0.00 0.00 WAT1 ATOM 2679 H2 TIP3 233 -12.283 -17.992 31.535 0.00 0.00 WAT1 ATOM 2680 OH2 TIP3 234 -9.161 -9.487 25.762 0.00 0.00 WAT1 ATOM 2681 H1 TIP3 234 -9.873 -8.952 25.411 0.00 0.00 WAT1 ATOM 2682 H2 TIP3 234 -8.470 -9.431 25.102 0.00 0.00 WAT1 ATOM 2683 OH2 TIP3 235 -9.107 -11.029 22.801 0.00 0.00 WAT1 ATOM 2684 H1 TIP3 235 -8.406 -11.007 23.452 0.00 0.00 WAT1 ATOM 2685 H2 TIP3 235 -8.805 -11.657 22.145 0.00 0.00 WAT1 ATOM 2686 OH2 TIP3 236 -5.755 -9.277 26.714 0.00 0.00 WAT1 ATOM 2687 H1 TIP3 236 -6.487 -9.049 27.287 0.00 0.00 WAT1 ATOM 2688 H2 TIP3 236 -5.308 -9.991 27.169 0.00 0.00 WAT1 ATOM 2689 OH2 TIP3 237 -6.884 -10.115 24.399 0.00 0.00 WAT1 ATOM 2690 H1 TIP3 237 -6.305 -9.965 25.146 0.00 0.00 WAT1 ATOM 2691 H2 TIP3 237 -6.470 -9.644 23.676 0.00 0.00 WAT1 ATOM 2692 OH2 TIP3 238 -5.407 -9.082 22.029 0.00 0.00 WAT1 ATOM 2693 H1 TIP3 238 -5.365 -9.305 21.099 0.00 0.00 WAT1 ATOM 2694 H2 TIP3 238 -4.558 -8.684 22.219 0.00 0.00 WAT1 ATOM 2695 OH2 TIP3 239 -8.535 -11.818 26.864 0.00 0.00 WAT1 ATOM 2696 H1 TIP3 239 -8.944 -11.003 26.572 0.00 0.00 WAT1 ATOM 2697 H2 TIP3 239 -7.815 -11.958 26.249 0.00 0.00 WAT1 ATOM 2698 OH2 TIP3 240 -7.531 -12.372 29.678 0.00 0.00 WAT1 ATOM 2699 H1 TIP3 240 -7.726 -11.767 28.963 0.00 0.00 WAT1 ATOM 2700 H2 TIP3 240 -7.349 -13.206 29.243 0.00 0.00 WAT1 ATOM 2701 OH2 TIP3 241 -12.952 -14.761 21.800 0.00 0.00 WAT1 ATOM 2702 H1 TIP3 241 -13.383 -15.206 22.530 0.00 0.00 WAT1 ATOM 2703 H2 TIP3 241 -13.670 -14.389 21.288 0.00 0.00 WAT1 ATOM 2704 OH2 TIP3 242 -11.489 -14.807 29.133 0.00 0.00 WAT1 ATOM 2705 H1 TIP3 242 -12.400 -14.750 29.422 0.00 0.00 WAT1 ATOM 2706 H2 TIP3 242 -10.984 -14.867 29.944 0.00 0.00 WAT1 ATOM 2707 OH2 TIP3 243 -13.008 -13.178 25.616 0.00 0.00 WAT1 ATOM 2708 H1 TIP3 243 -12.076 -13.049 25.794 0.00 0.00 WAT1 ATOM 2709 H2 TIP3 243 -13.223 -12.508 24.967 0.00 0.00 WAT1 ATOM 2710 OH2 TIP3 244 -7.084 -15.572 32.397 0.00 0.00 WAT1 ATOM 2711 H1 TIP3 244 -7.761 -15.441 33.061 0.00 0.00 WAT1 ATOM 2712 H2 TIP3 244 -7.570 -15.727 31.587 0.00 0.00 WAT1 ATOM 2713 OH2 TIP3 245 -1.498 -12.527 24.673 0.00 0.00 WAT1 ATOM 2714 H1 TIP3 245 -2.052 -12.923 24.001 0.00 0.00 WAT1 ATOM 2715 H2 TIP3 245 -1.397 -11.617 24.396 0.00 0.00 WAT1 ATOM 2716 OH2 TIP3 246 -10.513 -13.788 26.583 0.00 0.00 WAT1 ATOM 2717 H1 TIP3 246 -9.701 -13.284 26.629 0.00 0.00 WAT1 ATOM 2718 H2 TIP3 246 -10.758 -13.933 27.497 0.00 0.00 WAT1 ATOM 2719 OH2 TIP3 247 -13.972 -15.644 24.209 0.00 0.00 WAT1 ATOM 2720 H1 TIP3 247 -14.055 -14.755 24.555 0.00 0.00 WAT1 ATOM 2721 H2 TIP3 247 -13.082 -15.909 24.440 0.00 0.00 WAT1 ATOM 2722 OH2 TIP3 248 -3.773 -14.895 36.603 0.00 0.00 WAT1 ATOM 2723 H1 TIP3 248 -4.689 -14.632 36.515 0.00 0.00 WAT1 ATOM 2724 H2 TIP3 248 -3.437 -14.898 35.706 0.00 0.00 WAT1 ATOM 2725 OH2 TIP3 249 -5.171 -11.144 30.699 0.00 0.00 WAT1 ATOM 2726 H1 TIP3 249 -5.968 -11.559 30.370 0.00 0.00 WAT1 ATOM 2727 H2 TIP3 249 -4.726 -11.835 31.190 0.00 0.00 WAT1 ATOM 2728 OH2 TIP3 250 -1.659 -9.571 27.448 0.00 0.00 WAT1 ATOM 2729 H1 TIP3 250 -2.385 -10.050 27.846 0.00 0.00 WAT1 ATOM 2730 H2 TIP3 250 -1.078 -9.365 28.180 0.00 0.00 WAT1 ATOM 2731 OH2 TIP3 251 -1.391 -9.670 23.839 0.00 0.00 WAT1 ATOM 2732 H1 TIP3 251 -1.912 -9.313 23.120 0.00 0.00 WAT1 ATOM 2733 H2 TIP3 251 -1.424 -8.995 24.517 0.00 0.00 WAT1 ATOM 2734 OH2 TIP3 252 -3.042 -12.430 22.390 0.00 0.00 WAT1 ATOM 2735 H1 TIP3 252 -2.945 -11.763 21.710 0.00 0.00 WAT1 ATOM 2736 H2 TIP3 252 -3.182 -13.246 21.908 0.00 0.00 WAT1 ATOM 2737 OH2 TIP3 253 -3.872 -11.050 28.011 0.00 0.00 WAT1 ATOM 2738 H1 TIP3 253 -4.022 -11.995 27.991 0.00 0.00 WAT1 ATOM 2739 H2 TIP3 253 -4.226 -10.769 28.855 0.00 0.00 WAT1 ATOM 2740 OH2 TIP3 254 -3.550 -12.886 31.909 0.00 0.00 WAT1 ATOM 2741 H1 TIP3 254 -2.617 -12.674 31.875 0.00 0.00 WAT1 ATOM 2742 H2 TIP3 254 -3.785 -12.784 32.832 0.00 0.00 WAT1 ATOM 2743 OH2 TIP3 255 -3.521 -12.149 34.685 0.00 0.00 WAT1 ATOM 2744 H1 TIP3 255 -4.364 -11.881 35.051 0.00 0.00 WAT1 ATOM 2745 H2 TIP3 255 -3.078 -11.327 34.474 0.00 0.00 WAT1 ATOM 2746 OH2 TIP3 256 -1.238 -18.169 40.039 0.00 0.00 WAT1 ATOM 2747 H1 TIP3 256 -0.888 -18.823 39.433 0.00 0.00 WAT1 ATOM 2748 H2 TIP3 256 -1.091 -17.332 39.599 0.00 0.00 WAT1 ATOM 2749 OH2 TIP3 257 -1.718 -16.060 38.388 0.00 0.00 WAT1 ATOM 2750 H1 TIP3 257 -2.635 -15.789 38.352 0.00 0.00 WAT1 ATOM 2751 H2 TIP3 257 -1.595 -16.595 37.604 0.00 0.00 WAT1 ATOM 2752 OH2 TIP3 258 -2.717 -17.970 36.207 0.00 0.00 WAT1 ATOM 2753 H1 TIP3 258 -3.530 -17.645 35.819 0.00 0.00 WAT1 ATOM 2754 H2 TIP3 258 -2.484 -18.730 35.674 0.00 0.00 WAT1 ATOM 2755 OH2 TIP3 259 -9.287 -16.521 30.530 0.00 0.00 WAT1 ATOM 2756 H1 TIP3 259 -9.962 -17.150 30.785 0.00 0.00 WAT1 ATOM 2757 H2 TIP3 259 -8.723 -17.005 29.927 0.00 0.00 WAT1 ATOM 2758 OH2 TIP3 260 -4.145 -18.414 30.642 0.00 0.00 WAT1 ATOM 2759 H1 TIP3 260 -3.541 -17.866 30.141 0.00 0.00 WAT1 ATOM 2760 H2 TIP3 260 -5.014 -18.094 30.402 0.00 0.00 WAT1 ATOM 2761 OH2 TIP3 261 -12.381 -17.960 28.165 0.00 0.00 WAT1 ATOM 2762 H1 TIP3 261 -11.507 -17.572 28.135 0.00 0.00 WAT1 ATOM 2763 H2 TIP3 261 -12.517 -18.175 29.088 0.00 0.00 WAT1 ATOM 2764 OH2 TIP3 262 -6.824 -17.930 29.814 0.00 0.00 WAT1 ATOM 2765 H1 TIP3 262 -6.748 -17.835 28.865 0.00 0.00 WAT1 ATOM 2766 H2 TIP3 262 -7.100 -18.838 29.943 0.00 0.00 WAT1 ATOM 2767 OH2 TIP3 263 -16.263 -16.173 22.598 0.00 0.00 WAT1 ATOM 2768 H1 TIP3 263 -15.772 -16.803 22.070 0.00 0.00 WAT1 ATOM 2769 H2 TIP3 263 -15.640 -15.877 23.261 0.00 0.00 WAT1 ATOM 2770 OH2 TIP3 264 10.724 -39.144 -7.469 0.00 0.00 WAT1 ATOM 2771 H1 TIP3 264 11.344 -39.821 -7.742 0.00 0.00 WAT1 ATOM 2772 H2 TIP3 264 10.516 -39.362 -6.561 0.00 0.00 WAT1 ATOM 2773 OH2 TIP3 265 15.059 -37.612 0.962 0.00 0.00 WAT1 ATOM 2774 H1 TIP3 265 15.259 -37.188 0.127 0.00 0.00 WAT1 ATOM 2775 H2 TIP3 265 15.715 -37.269 1.569 0.00 0.00 WAT1 ATOM 2776 OH2 TIP3 266 13.502 -39.854 -1.358 0.00 0.00 WAT1 ATOM 2777 H1 TIP3 266 12.900 -40.409 -1.853 0.00 0.00 WAT1 ATOM 2778 H2 TIP3 266 13.783 -39.187 -1.984 0.00 0.00 WAT1 ATOM 2779 OH2 TIP3 267 14.772 -39.600 -5.391 0.00 0.00 WAT1 ATOM 2780 H1 TIP3 267 14.616 -38.922 -6.048 0.00 0.00 WAT1 ATOM 2781 H2 TIP3 267 15.704 -39.528 -5.188 0.00 0.00 WAT1 ATOM 2782 OH2 TIP3 268 11.221 -38.272 -0.585 0.00 0.00 WAT1 ATOM 2783 H1 TIP3 268 11.898 -38.904 -0.825 0.00 0.00 WAT1 ATOM 2784 H2 TIP3 268 11.543 -37.870 0.223 0.00 0.00 WAT1 ATOM 2785 OH2 TIP3 269 9.145 -38.212 -4.535 0.00 0.00 WAT1 ATOM 2786 H1 TIP3 269 8.688 -37.683 -5.189 0.00 0.00 WAT1 ATOM 2787 H2 TIP3 269 9.308 -37.609 -3.810 0.00 0.00 WAT1 ATOM 2788 OH2 TIP3 270 11.472 -39.334 -3.590 0.00 0.00 WAT1 ATOM 2789 H1 TIP3 270 10.568 -39.169 -3.856 0.00 0.00 WAT1 ATOM 2790 H2 TIP3 270 11.901 -38.481 -3.656 0.00 0.00 WAT1 ATOM 2791 OH2 TIP3 271 14.077 -37.764 -3.295 0.00 0.00 WAT1 ATOM 2792 H1 TIP3 271 13.895 -36.848 -3.506 0.00 0.00 WAT1 ATOM 2793 H2 TIP3 271 14.253 -38.174 -4.142 0.00 0.00 WAT1 ATOM 2794 OH2 TIP3 272 9.907 -47.188 12.873 0.00 0.00 WAT1 ATOM 2795 H1 TIP3 272 9.869 -47.834 13.578 0.00 0.00 WAT1 ATOM 2796 H2 TIP3 272 9.584 -47.654 12.102 0.00 0.00 WAT1 ATOM 2797 OH2 TIP3 273 13.613 -44.249 11.175 0.00 0.00 WAT1 ATOM 2798 H1 TIP3 273 13.172 -44.969 11.625 0.00 0.00 WAT1 ATOM 2799 H2 TIP3 273 13.600 -43.528 11.805 0.00 0.00 WAT1 ATOM 2800 OH2 TIP3 274 10.724 -39.144 11.387 0.00 0.00 WAT1 ATOM 2801 H1 TIP3 274 11.344 -39.821 11.114 0.00 0.00 WAT1 ATOM 2802 H2 TIP3 274 10.516 -39.362 12.295 0.00 0.00 WAT1 ATOM 2803 OH2 TIP3 275 8.296 -44.755 13.279 0.00 0.00 WAT1 ATOM 2804 H1 TIP3 275 8.600 -45.441 12.685 0.00 0.00 WAT1 ATOM 2805 H2 TIP3 275 9.018 -44.637 13.897 0.00 0.00 WAT1 ATOM 2806 OH2 TIP3 276 5.971 -45.666 15.241 0.00 0.00 WAT1 ATOM 2807 H1 TIP3 276 5.231 -45.068 15.344 0.00 0.00 WAT1 ATOM 2808 H2 TIP3 276 6.685 -45.112 14.925 0.00 0.00 WAT1 ATOM 2809 OH2 TIP3 277 4.379 -43.702 16.028 0.00 0.00 WAT1 ATOM 2810 H1 TIP3 277 4.373 -42.823 15.650 0.00 0.00 WAT1 ATOM 2811 H2 TIP3 277 3.525 -43.785 16.453 0.00 0.00 WAT1 ATOM 2812 OH2 TIP3 278 14.125 -42.409 13.523 0.00 0.00 WAT1 ATOM 2813 H1 TIP3 278 13.183 -42.351 13.684 0.00 0.00 WAT1 ATOM 2814 H2 TIP3 278 14.401 -41.503 13.386 0.00 0.00 WAT1 ATOM 2815 OH2 TIP3 279 12.377 -40.628 10.148 0.00 0.00 WAT1 ATOM 2816 H1 TIP3 279 12.802 -41.335 9.663 0.00 0.00 WAT1 ATOM 2817 H2 TIP3 279 12.694 -39.827 9.731 0.00 0.00 WAT1 ATOM 2818 OH2 TIP3 280 15.222 -44.161 17.134 0.00 0.00 WAT1 ATOM 2819 H1 TIP3 280 15.362 -44.752 16.395 0.00 0.00 WAT1 ATOM 2820 H2 TIP3 280 15.390 -43.288 16.778 0.00 0.00 WAT1 ATOM 2821 OH2 TIP3 281 12.998 -48.815 16.926 0.00 0.00 WAT1 ATOM 2822 H1 TIP3 281 13.078 -48.052 17.498 0.00 0.00 WAT1 ATOM 2823 H2 TIP3 281 12.397 -48.536 16.235 0.00 0.00 WAT1 ATOM 2824 OH2 TIP3 282 5.993 -43.191 18.091 0.00 0.00 WAT1 ATOM 2825 H1 TIP3 282 5.681 -42.409 18.547 0.00 0.00 WAT1 ATOM 2826 H2 TIP3 282 5.343 -43.344 17.405 0.00 0.00 WAT1 ATOM 2827 OH2 TIP3 283 9.698 -41.090 8.978 0.00 0.00 WAT1 ATOM 2828 H1 TIP3 283 10.172 -40.795 9.756 0.00 0.00 WAT1 ATOM 2829 H2 TIP3 283 9.135 -40.352 8.745 0.00 0.00 WAT1 ATOM 2830 OH2 TIP3 284 -0.171 -44.926 16.145 0.00 0.00 WAT1 ATOM 2831 H1 TIP3 284 -0.672 -44.954 15.330 0.00 0.00 WAT1 ATOM 2832 H2 TIP3 284 -0.165 -45.832 16.455 0.00 0.00 WAT1 ATOM 2833 OH2 TIP3 285 -0.420 -42.146 13.029 0.00 0.00 WAT1 ATOM 2834 H1 TIP3 285 0.526 -42.290 13.010 0.00 0.00 WAT1 ATOM 2835 H2 TIP3 285 -0.533 -41.362 13.566 0.00 0.00 WAT1 ATOM 2836 OH2 TIP3 286 9.170 -38.134 7.393 0.00 0.00 WAT1 ATOM 2837 H1 TIP3 286 9.095 -38.255 6.447 0.00 0.00 WAT1 ATOM 2838 H2 TIP3 286 9.203 -37.184 7.512 0.00 0.00 WAT1 ATOM 2839 OH2 TIP3 287 2.824 -39.345 9.174 0.00 0.00 WAT1 ATOM 2840 H1 TIP3 287 2.976 -39.693 10.053 0.00 0.00 WAT1 ATOM 2841 H2 TIP3 287 1.973 -39.701 8.919 0.00 0.00 WAT1 ATOM 2842 OH2 TIP3 288 11.941 -39.054 7.145 0.00 0.00 WAT1 ATOM 2843 H1 TIP3 288 11.006 -38.954 7.324 0.00 0.00 WAT1 ATOM 2844 H2 TIP3 288 12.221 -39.763 7.723 0.00 0.00 WAT1 ATOM 2845 OH2 TIP3 289 14.929 -49.987 19.191 0.00 0.00 WAT1 ATOM 2846 H1 TIP3 289 14.522 -49.506 18.471 0.00 0.00 WAT1 ATOM 2847 H2 TIP3 289 14.970 -50.892 18.884 0.00 0.00 WAT1 ATOM 2848 OH2 TIP3 290 2.078 -43.603 17.188 0.00 0.00 WAT1 ATOM 2849 H1 TIP3 290 2.295 -43.964 18.048 0.00 0.00 WAT1 ATOM 2850 H2 TIP3 290 1.223 -43.977 16.978 0.00 0.00 WAT1 ATOM 2851 OH2 TIP3 291 9.423 -49.355 19.496 0.00 0.00 WAT1 ATOM 2852 H1 TIP3 291 8.860 -50.059 19.816 0.00 0.00 WAT1 ATOM 2853 H2 TIP3 291 10.249 -49.475 19.963 0.00 0.00 WAT1 ATOM 2854 OH2 TIP3 292 10.589 -48.446 15.493 0.00 0.00 WAT1 ATOM 2855 H1 TIP3 292 10.913 -49.077 14.850 0.00 0.00 WAT1 ATOM 2856 H2 TIP3 292 10.149 -48.981 16.154 0.00 0.00 WAT1 ATOM 2857 OH2 TIP3 293 2.657 -45.138 19.426 0.00 0.00 WAT1 ATOM 2858 H1 TIP3 293 3.390 -44.884 19.987 0.00 0.00 WAT1 ATOM 2859 H2 TIP3 293 1.877 -44.934 19.941 0.00 0.00 WAT1 ATOM 2860 OH2 TIP3 294 15.007 -45.997 15.049 0.00 0.00 WAT1 ATOM 2861 H1 TIP3 294 15.649 -45.540 14.506 0.00 0.00 WAT1 ATOM 2862 H2 TIP3 294 14.177 -45.884 14.587 0.00 0.00 WAT1 ATOM 2863 OH2 TIP3 295 9.377 -44.946 17.500 0.00 0.00 WAT1 ATOM 2864 H1 TIP3 295 9.031 -45.327 18.306 0.00 0.00 WAT1 ATOM 2865 H2 TIP3 295 9.177 -44.012 17.571 0.00 0.00 WAT1 ATOM 2866 OH2 TIP3 296 7.007 -47.857 19.560 0.00 0.00 WAT1 ATOM 2867 H1 TIP3 296 6.711 -48.023 18.665 0.00 0.00 WAT1 ATOM 2868 H2 TIP3 296 7.938 -48.077 19.550 0.00 0.00 WAT1 ATOM 2869 OH2 TIP3 297 17.322 -44.439 18.654 0.00 0.00 WAT1 ATOM 2870 H1 TIP3 297 16.470 -44.201 18.287 0.00 0.00 WAT1 ATOM 2871 H2 TIP3 297 17.912 -44.456 17.901 0.00 0.00 WAT1 ATOM 2872 OH2 TIP3 298 12.814 -46.645 13.304 0.00 0.00 WAT1 ATOM 2873 H1 TIP3 298 11.886 -46.877 13.277 0.00 0.00 WAT1 ATOM 2874 H2 TIP3 298 13.265 -47.422 12.974 0.00 0.00 WAT1 ATOM 2875 OH2 TIP3 299 7.299 -40.505 15.328 0.00 0.00 WAT1 ATOM 2876 H1 TIP3 299 7.662 -39.650 15.095 0.00 0.00 WAT1 ATOM 2877 H2 TIP3 299 7.831 -40.797 16.069 0.00 0.00 WAT1 ATOM 2878 OH2 TIP3 300 5.468 -39.632 8.558 0.00 0.00 WAT1 ATOM 2879 H1 TIP3 300 4.518 -39.527 8.610 0.00 0.00 WAT1 ATOM 2880 H2 TIP3 300 5.819 -38.812 8.903 0.00 0.00 WAT1 ATOM 2881 OH2 TIP3 301 10.843 -44.406 15.029 0.00 0.00 WAT1 ATOM 2882 H1 TIP3 301 10.417 -44.633 15.855 0.00 0.00 WAT1 ATOM 2883 H2 TIP3 301 11.424 -45.144 14.846 0.00 0.00 WAT1 ATOM 2884 OH2 TIP3 302 1.275 -40.816 15.340 0.00 0.00 WAT1 ATOM 2885 H1 TIP3 302 1.492 -41.748 15.309 0.00 0.00 WAT1 ATOM 2886 H2 TIP3 302 1.522 -40.542 16.224 0.00 0.00 WAT1 ATOM 2887 OH2 TIP3 303 0.393 -45.119 20.647 0.00 0.00 WAT1 ATOM 2888 H1 TIP3 303 0.537 -46.021 20.361 0.00 0.00 WAT1 ATOM 2889 H2 TIP3 303 -0.380 -44.833 20.159 0.00 0.00 WAT1 ATOM 2890 OH2 TIP3 304 7.048 -45.149 20.080 0.00 0.00 WAT1 ATOM 2891 H1 TIP3 304 6.720 -44.878 19.222 0.00 0.00 WAT1 ATOM 2892 H2 TIP3 304 7.200 -46.090 19.992 0.00 0.00 WAT1 ATOM 2893 OH2 TIP3 305 10.192 -46.439 20.719 0.00 0.00 WAT1 ATOM 2894 H1 TIP3 305 11.145 -46.355 20.691 0.00 0.00 WAT1 ATOM 2895 H2 TIP3 305 10.032 -47.150 21.338 0.00 0.00 WAT1 ATOM 2896 OH2 TIP3 306 7.506 -47.746 16.256 0.00 0.00 WAT1 ATOM 2897 H1 TIP3 306 8.257 -47.902 15.683 0.00 0.00 WAT1 ATOM 2898 H2 TIP3 306 7.167 -46.894 15.980 0.00 0.00 WAT1 ATOM 2899 OH2 TIP3 307 11.922 -49.931 21.284 0.00 0.00 WAT1 ATOM 2900 H1 TIP3 307 12.114 -50.862 21.173 0.00 0.00 WAT1 ATOM 2901 H2 TIP3 307 12.779 -49.506 21.274 0.00 0.00 WAT1 ATOM 2902 OH2 TIP3 308 13.238 -47.142 19.362 0.00 0.00 WAT1 ATOM 2903 H1 TIP3 308 12.957 -46.433 18.784 0.00 0.00 WAT1 ATOM 2904 H2 TIP3 308 14.181 -47.215 19.211 0.00 0.00 WAT1 ATOM 2905 OH2 TIP3 309 -0.931 -37.840 8.909 0.00 0.00 WAT1 ATOM 2906 H1 TIP3 309 -1.578 -38.302 8.376 0.00 0.00 WAT1 ATOM 2907 H2 TIP3 309 -0.576 -38.512 9.492 0.00 0.00 WAT1 ATOM 2908 OH2 TIP3 310 -0.061 -39.759 10.714 0.00 0.00 WAT1 ATOM 2909 H1 TIP3 310 -0.395 -40.640 10.886 0.00 0.00 WAT1 ATOM 2910 H2 TIP3 310 0.161 -39.414 11.578 0.00 0.00 WAT1 ATOM 2911 OH2 TIP3 311 16.956 -44.498 13.540 0.00 0.00 WAT1 ATOM 2912 H1 TIP3 311 17.790 -44.876 13.259 0.00 0.00 WAT1 ATOM 2913 H2 TIP3 311 17.068 -43.555 13.421 0.00 0.00 WAT1 ATOM 2914 OH2 TIP3 312 15.443 -41.620 15.847 0.00 0.00 WAT1 ATOM 2915 H1 TIP3 312 14.795 -41.295 16.472 0.00 0.00 WAT1 ATOM 2916 H2 TIP3 312 14.925 -42.060 15.172 0.00 0.00 WAT1 ATOM 2917 OH2 TIP3 313 15.840 -46.792 18.794 0.00 0.00 WAT1 ATOM 2918 H1 TIP3 313 16.423 -47.526 18.985 0.00 0.00 WAT1 ATOM 2919 H2 TIP3 313 16.404 -46.020 18.840 0.00 0.00 WAT1 ATOM 2920 OH2 TIP3 314 17.337 -48.889 19.478 0.00 0.00 WAT1 ATOM 2921 H1 TIP3 314 16.474 -49.268 19.313 0.00 0.00 WAT1 ATOM 2922 H2 TIP3 314 17.941 -49.628 19.404 0.00 0.00 WAT1 ATOM 2923 OH2 TIP3 315 14.226 -38.860 9.266 0.00 0.00 WAT1 ATOM 2924 H1 TIP3 315 14.879 -39.207 8.658 0.00 0.00 WAT1 ATOM 2925 H2 TIP3 315 14.737 -38.371 9.912 0.00 0.00 WAT1 ATOM 2926 OH2 TIP3 316 1.611 -41.931 19.809 0.00 0.00 WAT1 ATOM 2927 H1 TIP3 316 0.790 -41.756 19.349 0.00 0.00 WAT1 ATOM 2928 H2 TIP3 316 1.359 -42.004 20.730 0.00 0.00 WAT1 ATOM 2929 OH2 TIP3 317 4.565 -40.956 16.068 0.00 0.00 WAT1 ATOM 2930 H1 TIP3 317 4.140 -40.147 15.785 0.00 0.00 WAT1 ATOM 2931 H2 TIP3 317 5.470 -40.871 15.766 0.00 0.00 WAT1 ATOM 2932 OH2 TIP3 318 1.382 -39.077 13.026 0.00 0.00 WAT1 ATOM 2933 H1 TIP3 318 1.363 -39.502 13.883 0.00 0.00 WAT1 ATOM 2934 H2 TIP3 318 2.187 -39.395 12.617 0.00 0.00 WAT1 ATOM 2935 OH2 TIP3 319 3.523 -40.367 11.681 0.00 0.00 WAT1 ATOM 2936 H1 TIP3 319 3.304 -41.283 11.850 0.00 0.00 WAT1 ATOM 2937 H2 TIP3 319 4.347 -40.227 12.147 0.00 0.00 WAT1 ATOM 2938 OH2 TIP3 320 6.060 -39.897 12.529 0.00 0.00 WAT1 ATOM 2939 H1 TIP3 320 6.273 -40.785 12.242 0.00 0.00 WAT1 ATOM 2940 H2 TIP3 320 6.125 -39.931 13.484 0.00 0.00 WAT1 ATOM 2941 OH2 TIP3 321 16.206 -39.080 7.274 0.00 0.00 WAT1 ATOM 2942 H1 TIP3 321 16.012 -39.828 6.709 0.00 0.00 WAT1 ATOM 2943 H2 TIP3 321 16.167 -38.322 6.690 0.00 0.00 WAT1 ATOM 2944 OH2 TIP3 322 2.275 -47.573 33.322 0.00 0.00 WAT1 ATOM 2945 H1 TIP3 322 2.317 -48.199 34.046 0.00 0.00 WAT1 ATOM 2946 H2 TIP3 322 2.978 -46.950 33.504 0.00 0.00 WAT1 ATOM 2947 OH2 TIP3 323 -0.191 -49.463 27.250 0.00 0.00 WAT1 ATOM 2948 H1 TIP3 323 -0.639 -48.617 27.232 0.00 0.00 WAT1 ATOM 2949 H2 TIP3 323 -0.752 -50.043 26.735 0.00 0.00 WAT1 ATOM 2950 OH2 TIP3 324 0.519 -47.301 29.376 0.00 0.00 WAT1 ATOM 2951 H1 TIP3 324 0.733 -48.071 29.903 0.00 0.00 WAT1 ATOM 2952 H2 TIP3 324 1.257 -47.212 28.773 0.00 0.00 WAT1 ATOM 2953 OH2 TIP3 325 16.959 -53.154 32.996 0.00 0.00 WAT1 ATOM 2954 H1 TIP3 325 17.008 -52.544 33.732 0.00 0.00 WAT1 ATOM 2955 H2 TIP3 325 17.385 -52.693 32.273 0.00 0.00 WAT1 ATOM 2956 OH2 TIP3 326 11.437 -50.361 32.463 0.00 0.00 WAT1 ATOM 2957 H1 TIP3 326 11.580 -51.308 32.483 0.00 0.00 WAT1 ATOM 2958 H2 TIP3 326 11.331 -50.154 31.534 0.00 0.00 WAT1 ATOM 2959 OH2 TIP3 327 12.314 -52.129 28.136 0.00 0.00 WAT1 ATOM 2960 H1 TIP3 327 12.960 -52.458 28.761 0.00 0.00 WAT1 ATOM 2961 H2 TIP3 327 12.824 -51.611 27.513 0.00 0.00 WAT1 ATOM 2962 OH2 TIP3 328 1.212 -49.863 30.497 0.00 0.00 WAT1 ATOM 2963 H1 TIP3 328 1.866 -50.413 30.929 0.00 0.00 WAT1 ATOM 2964 H2 TIP3 328 1.236 -50.137 29.581 0.00 0.00 WAT1 ATOM 2965 OH2 TIP3 329 6.368 -48.313 29.713 0.00 0.00 WAT1 ATOM 2966 H1 TIP3 329 6.984 -48.839 30.222 0.00 0.00 WAT1 ATOM 2967 H2 TIP3 329 5.782 -48.953 29.309 0.00 0.00 WAT1 ATOM 2968 OH2 TIP3 330 17.351 -51.676 35.232 0.00 0.00 WAT1 ATOM 2969 H1 TIP3 330 16.662 -51.018 35.137 0.00 0.00 WAT1 ATOM 2970 H2 TIP3 330 17.366 -51.873 36.169 0.00 0.00 WAT1 ATOM 2971 OH2 TIP3 331 5.971 -45.666 34.097 0.00 0.00 WAT1 ATOM 2972 H1 TIP3 331 5.231 -45.068 34.200 0.00 0.00 WAT1 ATOM 2973 H2 TIP3 331 6.685 -45.112 33.781 0.00 0.00 WAT1 ATOM 2974 OH2 TIP3 332 4.379 -43.702 34.884 0.00 0.00 WAT1 ATOM 2975 H1 TIP3 332 4.373 -42.823 34.506 0.00 0.00 WAT1 ATOM 2976 H2 TIP3 332 3.525 -43.785 35.309 0.00 0.00 WAT1 ATOM 2977 OH2 TIP3 333 9.749 -48.741 22.801 0.00 0.00 WAT1 ATOM 2978 H1 TIP3 333 10.450 -48.719 23.452 0.00 0.00 WAT1 ATOM 2979 H2 TIP3 333 10.051 -49.369 22.145 0.00 0.00 WAT1 ATOM 2980 OH2 TIP3 334 12.998 -48.815 35.782 0.00 0.00 WAT1 ATOM 2981 H1 TIP3 334 13.078 -48.052 36.354 0.00 0.00 WAT1 ATOM 2982 H2 TIP3 334 12.397 -48.536 35.091 0.00 0.00 WAT1 ATOM 2983 OH2 TIP3 335 5.113 -47.590 32.230 0.00 0.00 WAT1 ATOM 2984 H1 TIP3 335 5.678 -47.469 31.467 0.00 0.00 WAT1 ATOM 2985 H2 TIP3 335 5.432 -46.953 32.869 0.00 0.00 WAT1 ATOM 2986 OH2 TIP3 336 11.972 -47.827 24.399 0.00 0.00 WAT1 ATOM 2987 H1 TIP3 336 12.551 -47.677 25.146 0.00 0.00 WAT1 ATOM 2988 H2 TIP3 336 12.386 -47.356 23.676 0.00 0.00 WAT1 ATOM 2989 OH2 TIP3 337 2.913 -46.993 36.176 0.00 0.00 WAT1 ATOM 2990 H1 TIP3 337 2.983 -46.342 36.874 0.00 0.00 WAT1 ATOM 2991 H2 TIP3 337 2.022 -46.890 35.841 0.00 0.00 WAT1 ATOM 2992 OH2 TIP3 338 -0.171 -44.926 35.001 0.00 0.00 WAT1 ATOM 2993 H1 TIP3 338 -0.672 -44.954 34.186 0.00 0.00 WAT1 ATOM 2994 H2 TIP3 338 -0.165 -45.832 35.311 0.00 0.00 WAT1 ATOM 2995 OH2 TIP3 339 -0.420 -42.146 31.885 0.00 0.00 WAT1 ATOM 2996 H1 TIP3 339 0.526 -42.290 31.866 0.00 0.00 WAT1 ATOM 2997 H2 TIP3 339 -0.533 -41.362 32.422 0.00 0.00 WAT1 ATOM 2998 OH2 TIP3 340 14.929 -49.987 38.047 0.00 0.00 WAT1 ATOM 2999 H1 TIP3 340 14.522 -49.506 37.327 0.00 0.00 WAT1 ATOM 3000 H2 TIP3 340 14.970 -50.892 37.740 0.00 0.00 WAT1 ATOM 3001 OH2 TIP3 341 2.078 -43.603 36.044 0.00 0.00 WAT1 ATOM 3002 H1 TIP3 341 2.295 -43.964 36.904 0.00 0.00 WAT1 ATOM 3003 H2 TIP3 341 1.223 -43.977 35.834 0.00 0.00 WAT1 ATOM 3004 OH2 TIP3 342 12.686 -51.655 36.268 0.00 0.00 WAT1 ATOM 3005 H1 TIP3 342 12.172 -51.781 37.065 0.00 0.00 WAT1 ATOM 3006 H2 TIP3 342 12.531 -50.743 36.023 0.00 0.00 WAT1 ATOM 3007 OH2 TIP3 343 13.449 -46.794 22.029 0.00 0.00 WAT1 ATOM 3008 H1 TIP3 343 13.491 -47.017 21.099 0.00 0.00 WAT1 ATOM 3009 H2 TIP3 343 14.298 -46.396 22.219 0.00 0.00 WAT1 ATOM 3010 OH2 TIP3 344 4.785 -49.946 28.047 0.00 0.00 WAT1 ATOM 3011 H1 TIP3 344 3.892 -50.287 27.988 0.00 0.00 WAT1 ATOM 3012 H2 TIP3 344 5.236 -50.323 27.291 0.00 0.00 WAT1 ATOM 3013 OH2 TIP3 345 10.321 -49.530 26.864 0.00 0.00 WAT1 ATOM 3014 H1 TIP3 345 9.912 -48.715 26.572 0.00 0.00 WAT1 ATOM 3015 H2 TIP3 345 11.041 -49.670 26.249 0.00 0.00 WAT1 ATOM 3016 OH2 TIP3 346 9.423 -49.355 38.352 0.00 0.00 WAT1 ATOM 3017 H1 TIP3 346 8.860 -50.059 38.672 0.00 0.00 WAT1 ATOM 3018 H2 TIP3 346 10.249 -49.475 38.819 0.00 0.00 WAT1 ATOM 3019 OH2 TIP3 347 11.325 -50.084 29.678 0.00 0.00 WAT1 ATOM 3020 H1 TIP3 347 11.130 -49.479 28.963 0.00 0.00 WAT1 ATOM 3021 H2 TIP3 347 11.507 -50.918 29.243 0.00 0.00 WAT1 ATOM 3022 OH2 TIP3 348 10.589 -48.446 34.349 0.00 0.00 WAT1 ATOM 3023 H1 TIP3 348 10.913 -49.077 33.706 0.00 0.00 WAT1 ATOM 3024 H2 TIP3 348 10.149 -48.981 35.010 0.00 0.00 WAT1 ATOM 3025 OH2 TIP3 349 2.195 -50.890 27.960 0.00 0.00 WAT1 ATOM 3026 H1 TIP3 349 1.306 -50.790 27.620 0.00 0.00 WAT1 ATOM 3027 H2 TIP3 349 2.491 -51.732 27.614 0.00 0.00 WAT1 ATOM 3028 OH2 TIP3 350 5.848 -50.890 25.616 0.00 0.00 WAT1 ATOM 3029 H1 TIP3 350 6.780 -50.761 25.794 0.00 0.00 WAT1 ATOM 3030 H2 TIP3 350 5.633 -50.220 24.967 0.00 0.00 WAT1 ATOM 3031 OH2 TIP3 351 4.522 -49.695 23.183 0.00 0.00 WAT1 ATOM 3032 H1 TIP3 351 3.980 -50.075 22.492 0.00 0.00 WAT1 ATOM 3033 H2 TIP3 351 5.356 -49.501 22.754 0.00 0.00 WAT1 ATOM 3034 OH2 TIP3 352 2.657 -45.138 38.282 0.00 0.00 WAT1 ATOM 3035 H1 TIP3 352 3.390 -44.884 38.843 0.00 0.00 WAT1 ATOM 3036 H2 TIP3 352 1.877 -44.934 38.797 0.00 0.00 WAT1 ATOM 3037 OH2 TIP3 353 8.687 -49.731 31.020 0.00 0.00 WAT1 ATOM 3038 H1 TIP3 353 9.251 -50.278 30.473 0.00 0.00 WAT1 ATOM 3039 H2 TIP3 353 8.539 -50.253 31.809 0.00 0.00 WAT1 ATOM 3040 OH2 TIP3 354 12.473 -50.449 24.979 0.00 0.00 WAT1 ATOM 3041 H1 TIP3 354 13.365 -50.586 25.298 0.00 0.00 WAT1 ATOM 3042 H2 TIP3 354 12.530 -49.658 24.442 0.00 0.00 WAT1 ATOM 3043 OH2 TIP3 355 2.982 -45.835 30.888 0.00 0.00 WAT1 ATOM 3044 H1 TIP3 355 3.727 -45.837 30.287 0.00 0.00 WAT1 ATOM 3045 H2 TIP3 355 3.060 -46.659 31.370 0.00 0.00 WAT1 ATOM 3046 OH2 TIP3 356 -0.010 -47.374 36.203 0.00 0.00 WAT1 ATOM 3047 H1 TIP3 356 0.213 -47.792 37.035 0.00 0.00 WAT1 ATOM 3048 H2 TIP3 356 -0.612 -47.987 35.781 0.00 0.00 WAT1 ATOM 3049 OH2 TIP3 357 7.007 -47.857 38.416 0.00 0.00 WAT1 ATOM 3050 H1 TIP3 357 6.711 -48.023 37.521 0.00 0.00 WAT1 ATOM 3051 H2 TIP3 357 7.938 -48.077 38.406 0.00 0.00 WAT1 ATOM 3052 OH2 TIP3 358 17.358 -50.239 24.673 0.00 0.00 WAT1 ATOM 3053 H1 TIP3 358 16.804 -50.635 24.001 0.00 0.00 WAT1 ATOM 3054 H2 TIP3 358 17.459 -49.329 24.396 0.00 0.00 WAT1 ATOM 3055 OH2 TIP3 359 1.112 -47.455 22.880 0.00 0.00 WAT1 ATOM 3056 H1 TIP3 359 1.728 -46.828 23.259 0.00 0.00 WAT1 ATOM 3057 H2 TIP3 359 0.250 -47.139 23.151 0.00 0.00 WAT1 ATOM 3058 OH2 TIP3 360 8.343 -51.500 26.583 0.00 0.00 WAT1 ATOM 3059 H1 TIP3 360 9.155 -50.996 26.629 0.00 0.00 WAT1 ATOM 3060 H2 TIP3 360 8.098 -51.645 27.497 0.00 0.00 WAT1 ATOM 3061 OH2 TIP3 361 15.083 -52.607 36.603 0.00 0.00 WAT1 ATOM 3062 H1 TIP3 361 14.167 -52.344 36.515 0.00 0.00 WAT1 ATOM 3063 H2 TIP3 361 15.419 -52.610 35.706 0.00 0.00 WAT1 ATOM 3064 OH2 TIP3 362 13.685 -48.856 30.699 0.00 0.00 WAT1 ATOM 3065 H1 TIP3 362 12.888 -49.271 30.370 0.00 0.00 WAT1 ATOM 3066 H2 TIP3 362 14.130 -49.547 31.190 0.00 0.00 WAT1 ATOM 3067 OH2 TIP3 363 0.393 -45.119 39.503 0.00 0.00 WAT1 ATOM 3068 H1 TIP3 363 0.537 -46.021 39.217 0.00 0.00 WAT1 ATOM 3069 H2 TIP3 363 -0.380 -44.833 39.015 0.00 0.00 WAT1 ATOM 3070 OH2 TIP3 364 7.048 -45.149 38.936 0.00 0.00 WAT1 ATOM 3071 H1 TIP3 364 6.720 -44.878 38.078 0.00 0.00 WAT1 ATOM 3072 H2 TIP3 364 7.200 -46.090 38.848 0.00 0.00 WAT1 ATOM 3073 OH2 TIP3 365 1.225 -47.919 38.923 0.00 0.00 WAT1 ATOM 3074 H1 TIP3 365 1.633 -48.776 38.802 0.00 0.00 WAT1 ATOM 3075 H2 TIP3 365 0.965 -47.904 39.844 0.00 0.00 WAT1 ATOM 3076 OH2 TIP3 366 5.883 -46.803 23.941 0.00 0.00 WAT1 ATOM 3077 H1 TIP3 366 5.424 -47.287 24.627 0.00 0.00 WAT1 ATOM 3078 H2 TIP3 366 6.138 -47.471 23.305 0.00 0.00 WAT1 ATOM 3079 OH2 TIP3 367 5.172 -48.910 36.297 0.00 0.00 WAT1 ATOM 3080 H1 TIP3 367 4.554 -48.235 36.578 0.00 0.00 WAT1 ATOM 3081 H2 TIP3 367 5.516 -48.589 35.464 0.00 0.00 WAT1 ATOM 3082 OH2 TIP3 368 6.954 -48.560 22.204 0.00 0.00 WAT1 ATOM 3083 H1 TIP3 368 6.774 -48.714 21.276 0.00 0.00 WAT1 ATOM 3084 H2 TIP3 368 7.905 -48.452 22.248 0.00 0.00 WAT1 ATOM 3085 OH2 TIP3 369 10.192 -46.439 39.575 0.00 0.00 WAT1 ATOM 3086 H1 TIP3 369 11.145 -46.355 39.547 0.00 0.00 WAT1 ATOM 3087 H2 TIP3 369 10.032 -47.150 40.194 0.00 0.00 WAT1 ATOM 3088 OH2 TIP3 370 7.506 -47.746 35.112 0.00 0.00 WAT1 ATOM 3089 H1 TIP3 370 8.257 -47.902 34.539 0.00 0.00 WAT1 ATOM 3090 H2 TIP3 370 7.167 -46.894 34.836 0.00 0.00 WAT1 ATOM 3091 OH2 TIP3 371 13.238 -47.142 38.218 0.00 0.00 WAT1 ATOM 3092 H1 TIP3 371 12.957 -46.433 37.640 0.00 0.00 WAT1 ATOM 3093 H2 TIP3 371 14.181 -47.215 38.067 0.00 0.00 WAT1 ATOM 3094 OH2 TIP3 372 0.420 -43.233 22.688 0.00 0.00 WAT1 ATOM 3095 H1 TIP3 372 1.334 -43.154 22.961 0.00 0.00 WAT1 ATOM 3096 H2 TIP3 372 0.427 -43.920 22.021 0.00 0.00 WAT1 ATOM 3097 OH2 TIP3 373 17.197 -47.283 27.448 0.00 0.00 WAT1 ATOM 3098 H1 TIP3 373 16.471 -47.762 27.846 0.00 0.00 WAT1 ATOM 3099 H2 TIP3 373 17.778 -47.077 28.180 0.00 0.00 WAT1 ATOM 3100 OH2 TIP3 374 17.465 -47.382 23.839 0.00 0.00 WAT1 ATOM 3101 H1 TIP3 374 16.944 -47.025 23.120 0.00 0.00 WAT1 ATOM 3102 H2 TIP3 374 17.432 -46.707 24.517 0.00 0.00 WAT1 ATOM 3103 OH2 TIP3 375 15.814 -50.142 22.390 0.00 0.00 WAT1 ATOM 3104 H1 TIP3 375 15.911 -49.475 21.710 0.00 0.00 WAT1 ATOM 3105 H2 TIP3 375 15.674 -50.958 21.908 0.00 0.00 WAT1 ATOM 3106 OH2 TIP3 376 14.984 -48.762 28.011 0.00 0.00 WAT1 ATOM 3107 H1 TIP3 376 14.834 -49.707 27.991 0.00 0.00 WAT1 ATOM 3108 H2 TIP3 376 14.630 -48.481 28.855 0.00 0.00 WAT1 ATOM 3109 OH2 TIP3 377 0.019 -46.684 32.021 0.00 0.00 WAT1 ATOM 3110 H1 TIP3 377 0.203 -46.766 31.086 0.00 0.00 WAT1 ATOM 3111 H2 TIP3 377 0.868 -46.808 32.445 0.00 0.00 WAT1 ATOM 3112 OH2 TIP3 378 15.840 -46.792 37.650 0.00 0.00 WAT1 ATOM 3113 H1 TIP3 378 16.423 -47.526 37.841 0.00 0.00 WAT1 ATOM 3114 H2 TIP3 378 16.404 -46.020 37.696 0.00 0.00 WAT1 ATOM 3115 OH2 TIP3 379 17.337 -48.889 38.334 0.00 0.00 WAT1 ATOM 3116 H1 TIP3 379 16.474 -49.268 38.169 0.00 0.00 WAT1 ATOM 3117 H2 TIP3 379 17.941 -49.628 38.260 0.00 0.00 WAT1 ATOM 3118 OH2 TIP3 380 14.694 -51.179 26.473 0.00 0.00 WAT1 ATOM 3119 H1 TIP3 380 14.974 -52.086 26.598 0.00 0.00 WAT1 ATOM 3120 H2 TIP3 380 15.453 -50.745 26.084 0.00 0.00 WAT1 ATOM 3121 OH2 TIP3 381 15.306 -50.598 31.909 0.00 0.00 WAT1 ATOM 3122 H1 TIP3 381 16.239 -50.386 31.875 0.00 0.00 WAT1 ATOM 3123 H2 TIP3 381 15.071 -50.496 32.832 0.00 0.00 WAT1 ATOM 3124 OH2 TIP3 382 15.335 -49.861 34.685 0.00 0.00 WAT1 ATOM 3125 H1 TIP3 382 14.492 -49.593 35.051 0.00 0.00 WAT1 ATOM 3126 H2 TIP3 382 15.778 -49.039 34.474 0.00 0.00 WAT1 ATOM 3127 OH2 TIP3 383 10.724 -39.144 49.099 0.00 0.00 WAT1 ATOM 3128 H1 TIP3 383 11.344 -39.821 48.826 0.00 0.00 WAT1 ATOM 3129 H2 TIP3 383 10.516 -39.362 50.007 0.00 0.00 WAT1 ATOM 3130 OH2 TIP3 384 10.771 -43.842 46.209 0.00 0.00 WAT1 ATOM 3131 H1 TIP3 384 10.475 -44.164 45.358 0.00 0.00 WAT1 ATOM 3132 H2 TIP3 384 10.447 -42.942 46.251 0.00 0.00 WAT1 ATOM 3133 OH2 TIP3 385 0.500 -44.031 44.522 0.00 0.00 WAT1 ATOM 3134 H1 TIP3 385 0.228 -43.802 43.633 0.00 0.00 WAT1 ATOM 3135 H2 TIP3 385 0.545 -43.193 44.982 0.00 0.00 WAT1 ATOM 3136 OH2 TIP3 386 12.377 -40.628 47.860 0.00 0.00 WAT1 ATOM 3137 H1 TIP3 386 12.802 -41.335 47.375 0.00 0.00 WAT1 ATOM 3138 H2 TIP3 386 12.694 -39.827 47.443 0.00 0.00 WAT1 ATOM 3139 OH2 TIP3 387 13.536 -42.727 46.369 0.00 0.00 WAT1 ATOM 3140 H1 TIP3 387 13.279 -43.417 45.757 0.00 0.00 WAT1 ATOM 3141 H2 TIP3 387 13.607 -43.170 47.214 0.00 0.00 WAT1 ATOM 3142 OH2 TIP3 388 9.749 -48.741 41.657 0.00 0.00 WAT1 ATOM 3143 H1 TIP3 388 10.450 -48.719 42.308 0.00 0.00 WAT1 ATOM 3144 H2 TIP3 388 10.051 -49.369 41.001 0.00 0.00 WAT1 ATOM 3145 OH2 TIP3 389 9.698 -41.090 46.690 0.00 0.00 WAT1 ATOM 3146 H1 TIP3 389 10.172 -40.795 47.468 0.00 0.00 WAT1 ATOM 3147 H2 TIP3 389 9.135 -40.352 46.457 0.00 0.00 WAT1 ATOM 3148 OH2 TIP3 390 2.824 -39.345 46.886 0.00 0.00 WAT1 ATOM 3149 H1 TIP3 390 2.976 -39.693 47.765 0.00 0.00 WAT1 ATOM 3150 H2 TIP3 390 1.973 -39.701 46.631 0.00 0.00 WAT1 ATOM 3151 OH2 TIP3 391 13.449 -46.794 40.885 0.00 0.00 WAT1 ATOM 3152 H1 TIP3 391 13.491 -47.017 39.955 0.00 0.00 WAT1 ATOM 3153 H2 TIP3 391 14.298 -46.396 41.075 0.00 0.00 WAT1 ATOM 3154 OH2 TIP3 392 7.857 -45.130 43.975 0.00 0.00 WAT1 ATOM 3155 H1 TIP3 392 7.113 -45.637 43.652 0.00 0.00 WAT1 ATOM 3156 H2 TIP3 392 7.723 -45.081 44.921 0.00 0.00 WAT1 ATOM 3157 OH2 TIP3 393 9.983 -43.671 43.000 0.00 0.00 WAT1 ATOM 3158 H1 TIP3 393 9.688 -42.845 43.382 0.00 0.00 WAT1 ATOM 3159 H2 TIP3 393 9.280 -44.291 43.196 0.00 0.00 WAT1 ATOM 3160 OH2 TIP3 394 15.654 -41.453 43.994 0.00 0.00 WAT1 ATOM 3161 H1 TIP3 394 15.281 -42.279 44.304 0.00 0.00 WAT1 ATOM 3162 H2 TIP3 394 15.931 -41.636 43.097 0.00 0.00 WAT1 ATOM 3163 OH2 TIP3 395 5.357 -42.317 47.149 0.00 0.00 WAT1 ATOM 3164 H1 TIP3 395 5.884 -41.544 46.948 0.00 0.00 WAT1 ATOM 3165 H2 TIP3 395 4.477 -42.092 46.847 0.00 0.00 WAT1 ATOM 3166 OH2 TIP3 396 1.112 -47.455 41.736 0.00 0.00 WAT1 ATOM 3167 H1 TIP3 396 1.728 -46.828 42.115 0.00 0.00 WAT1 ATOM 3168 H2 TIP3 396 0.250 -47.139 42.007 0.00 0.00 WAT1 ATOM 3169 OH2 TIP3 397 6.784 -44.654 46.725 0.00 0.00 WAT1 ATOM 3170 H1 TIP3 397 6.543 -43.729 46.767 0.00 0.00 WAT1 ATOM 3171 H2 TIP3 397 6.044 -45.113 47.121 0.00 0.00 WAT1 ATOM 3172 OH2 TIP3 398 5.468 -39.632 46.270 0.00 0.00 WAT1 ATOM 3173 H1 TIP3 398 4.518 -39.527 46.322 0.00 0.00 WAT1 ATOM 3174 H2 TIP3 398 5.819 -38.812 46.615 0.00 0.00 WAT1 ATOM 3175 OH2 TIP3 399 13.912 -44.804 44.041 0.00 0.00 WAT1 ATOM 3176 H1 TIP3 399 13.635 -45.532 44.597 0.00 0.00 WAT1 ATOM 3177 H2 TIP3 399 14.839 -44.685 44.247 0.00 0.00 WAT1 ATOM 3178 OH2 TIP3 400 2.527 -45.542 43.228 0.00 0.00 WAT1 ATOM 3179 H1 TIP3 400 1.841 -45.190 43.795 0.00 0.00 WAT1 ATOM 3180 H2 TIP3 400 3.050 -44.779 42.982 0.00 0.00 WAT1 ATOM 3181 OH2 TIP3 401 3.143 -42.928 42.125 0.00 0.00 WAT1 ATOM 3182 H1 TIP3 401 3.735 -42.229 42.401 0.00 0.00 WAT1 ATOM 3183 H2 TIP3 401 3.602 -43.361 41.406 0.00 0.00 WAT1 ATOM 3184 OH2 TIP3 402 14.772 -39.600 51.177 0.00 0.00 WAT1 ATOM 3185 H1 TIP3 402 14.616 -38.922 50.520 0.00 0.00 WAT1 ATOM 3186 H2 TIP3 402 15.704 -39.528 51.380 0.00 0.00 WAT1 ATOM 3187 OH2 TIP3 403 1.197 -41.542 46.075 0.00 0.00 WAT1 ATOM 3188 H1 TIP3 403 0.365 -41.069 46.102 0.00 0.00 WAT1 ATOM 3189 H2 TIP3 403 1.743 -41.032 45.476 0.00 0.00 WAT1 ATOM 3190 OH2 TIP3 404 4.734 -44.775 40.491 0.00 0.00 WAT1 ATOM 3191 H1 TIP3 404 4.798 -45.569 41.022 0.00 0.00 WAT1 ATOM 3192 H2 TIP3 404 5.387 -44.894 39.802 0.00 0.00 WAT1 ATOM 3193 OH2 TIP3 405 5.883 -46.803 42.797 0.00 0.00 WAT1 ATOM 3194 H1 TIP3 405 5.424 -47.287 43.483 0.00 0.00 WAT1 ATOM 3195 H2 TIP3 405 6.138 -47.471 42.161 0.00 0.00 WAT1 ATOM 3196 OH2 TIP3 406 6.954 -48.560 41.060 0.00 0.00 WAT1 ATOM 3197 H1 TIP3 406 6.774 -48.714 40.132 0.00 0.00 WAT1 ATOM 3198 H2 TIP3 406 7.905 -48.452 41.104 0.00 0.00 WAT1 ATOM 3199 OH2 TIP3 407 16.344 -46.205 40.505 0.00 0.00 WAT1 ATOM 3200 H1 TIP3 407 16.071 -46.630 39.692 0.00 0.00 WAT1 ATOM 3201 H2 TIP3 407 16.384 -45.274 40.288 0.00 0.00 WAT1 ATOM 3202 OH2 TIP3 408 0.420 -43.233 41.544 0.00 0.00 WAT1 ATOM 3203 H1 TIP3 408 1.334 -43.154 41.817 0.00 0.00 WAT1 ATOM 3204 H2 TIP3 408 0.427 -43.920 40.877 0.00 0.00 WAT1 ATOM 3205 OH2 TIP3 409 -0.931 -37.840 46.621 0.00 0.00 WAT1 ATOM 3206 H1 TIP3 409 -1.578 -38.302 46.088 0.00 0.00 WAT1 ATOM 3207 H2 TIP3 409 -0.576 -38.512 47.204 0.00 0.00 WAT1 ATOM 3208 OH2 TIP3 410 16.803 -45.336 44.480 0.00 0.00 WAT1 ATOM 3209 H1 TIP3 410 17.653 -44.915 44.608 0.00 0.00 WAT1 ATOM 3210 H2 TIP3 410 16.808 -46.076 45.088 0.00 0.00 WAT1 ATOM 3211 OH2 TIP3 411 17.465 -47.382 42.695 0.00 0.00 WAT1 ATOM 3212 H1 TIP3 411 16.944 -47.025 41.976 0.00 0.00 WAT1 ATOM 3213 H2 TIP3 411 17.432 -46.707 43.373 0.00 0.00 WAT1 ATOM 3214 OH2 TIP3 412 0.633 -39.853 43.909 0.00 0.00 WAT1 ATOM 3215 H1 TIP3 412 -0.052 -39.891 43.241 0.00 0.00 WAT1 ATOM 3216 H2 TIP3 412 0.636 -38.940 44.197 0.00 0.00 WAT1 ATOM 3217 OH2 TIP3 413 16.206 -39.080 44.986 0.00 0.00 WAT1 ATOM 3218 H1 TIP3 413 16.012 -39.828 44.421 0.00 0.00 WAT1 ATOM 3219 H2 TIP3 413 16.167 -38.322 44.402 0.00 0.00 WAT1 ATOM 3220 OH2 TIP3 414 10.974 -27.587 -9.402 0.00 0.00 WAT1 ATOM 3221 H1 TIP3 414 11.063 -26.643 -9.534 0.00 0.00 WAT1 ATOM 3222 H2 TIP3 414 10.335 -27.862 -10.060 0.00 0.00 WAT1 ATOM 3223 OH2 TIP3 415 10.724 -20.288 -7.469 0.00 0.00 WAT1 ATOM 3224 H1 TIP3 415 11.344 -20.965 -7.742 0.00 0.00 WAT1 ATOM 3225 H2 TIP3 415 10.516 -20.506 -6.561 0.00 0.00 WAT1 ATOM 3226 OH2 TIP3 416 16.959 -34.298 -4.716 0.00 0.00 WAT1 ATOM 3227 H1 TIP3 416 17.008 -33.688 -3.980 0.00 0.00 WAT1 ATOM 3228 H2 TIP3 416 17.385 -33.837 -5.439 0.00 0.00 WAT1 ATOM 3229 OH2 TIP3 417 4.592 -33.404 -7.977 0.00 0.00 WAT1 ATOM 3230 H1 TIP3 417 4.635 -32.544 -8.395 0.00 0.00 WAT1 ATOM 3231 H2 TIP3 417 4.134 -33.956 -8.610 0.00 0.00 WAT1 ATOM 3232 OH2 TIP3 418 12.314 -33.273 -9.576 0.00 0.00 WAT1 ATOM 3233 H1 TIP3 418 12.960 -33.602 -8.951 0.00 0.00 WAT1 ATOM 3234 H2 TIP3 418 12.824 -32.755 -10.199 0.00 0.00 WAT1 ATOM 3235 OH2 TIP3 419 6.368 -29.457 -7.999 0.00 0.00 WAT1 ATOM 3236 H1 TIP3 419 6.984 -29.983 -7.490 0.00 0.00 WAT1 ATOM 3237 H2 TIP3 419 5.782 -30.097 -8.403 0.00 0.00 WAT1 ATOM 3238 OH2 TIP3 420 17.351 -32.820 -2.480 0.00 0.00 WAT1 ATOM 3239 H1 TIP3 420 16.662 -32.162 -2.575 0.00 0.00 WAT1 ATOM 3240 H2 TIP3 420 17.366 -33.017 -1.543 0.00 0.00 WAT1 ATOM 3241 OH2 TIP3 421 3.402 -34.486 -3.903 0.00 0.00 WAT1 ATOM 3242 H1 TIP3 421 3.183 -33.956 -4.669 0.00 0.00 WAT1 ATOM 3243 H2 TIP3 421 2.734 -34.259 -3.255 0.00 0.00 WAT1 ATOM 3244 OH2 TIP3 422 10.771 -24.986 -10.359 0.00 0.00 WAT1 ATOM 3245 H1 TIP3 422 10.475 -25.308 -11.210 0.00 0.00 WAT1 ATOM 3246 H2 TIP3 422 10.447 -24.086 -10.317 0.00 0.00 WAT1 ATOM 3247 OH2 TIP3 423 5.971 -26.810 -3.615 0.00 0.00 WAT1 ATOM 3248 H1 TIP3 423 5.231 -26.212 -3.512 0.00 0.00 WAT1 ATOM 3249 H2 TIP3 423 6.685 -26.256 -3.931 0.00 0.00 WAT1 ATOM 3250 OH2 TIP3 424 14.078 -33.982 -7.595 0.00 0.00 WAT1 ATOM 3251 H1 TIP3 424 13.863 -34.748 -7.063 0.00 0.00 WAT1 ATOM 3252 H2 TIP3 424 14.734 -33.510 -7.082 0.00 0.00 WAT1 ATOM 3253 OH2 TIP3 425 2.996 -32.594 -5.950 0.00 0.00 WAT1 ATOM 3254 H1 TIP3 425 3.609 -31.961 -5.577 0.00 0.00 WAT1 ATOM 3255 H2 TIP3 425 3.508 -33.066 -6.607 0.00 0.00 WAT1 ATOM 3256 OH2 TIP3 426 4.379 -24.846 -2.828 0.00 0.00 WAT1 ATOM 3257 H1 TIP3 426 4.373 -23.967 -3.206 0.00 0.00 WAT1 ATOM 3258 H2 TIP3 426 3.525 -24.929 -2.403 0.00 0.00 WAT1 ATOM 3259 OH2 TIP3 427 14.425 -35.267 -3.916 0.00 0.00 WAT1 ATOM 3260 H1 TIP3 427 13.689 -34.656 -3.954 0.00 0.00 WAT1 ATOM 3261 H2 TIP3 427 15.109 -34.852 -4.442 0.00 0.00 WAT1 ATOM 3262 OH2 TIP3 428 7.428 -37.180 -6.450 0.00 0.00 WAT1 ATOM 3263 H1 TIP3 428 7.311 -38.129 -6.504 0.00 0.00 WAT1 ATOM 3264 H2 TIP3 428 6.573 -36.848 -6.177 0.00 0.00 WAT1 ATOM 3265 OH2 TIP3 429 12.377 -21.772 -8.708 0.00 0.00 WAT1 ATOM 3266 H1 TIP3 429 12.802 -22.479 -9.193 0.00 0.00 WAT1 ATOM 3267 H2 TIP3 429 12.694 -20.971 -9.125 0.00 0.00 WAT1 ATOM 3268 OH2 TIP3 430 13.536 -23.871 -10.199 0.00 0.00 WAT1 ATOM 3269 H1 TIP3 430 13.279 -24.561 -10.811 0.00 0.00 WAT1 ATOM 3270 H2 TIP3 430 13.607 -24.314 -9.354 0.00 0.00 WAT1 ATOM 3271 OH2 TIP3 431 9.695 -28.343 -11.950 0.00 0.00 WAT1 ATOM 3272 H1 TIP3 431 8.983 -27.808 -12.301 0.00 0.00 WAT1 ATOM 3273 H2 TIP3 431 10.386 -28.287 -12.610 0.00 0.00 WAT1 ATOM 3274 OH2 TIP3 432 17.064 -28.965 -3.656 0.00 0.00 WAT1 ATOM 3275 H1 TIP3 432 16.412 -28.270 -3.567 0.00 0.00 WAT1 ATOM 3276 H2 TIP3 432 17.529 -28.755 -4.466 0.00 0.00 WAT1 ATOM 3277 OH2 TIP3 433 13.101 -28.133 -10.998 0.00 0.00 WAT1 ATOM 3278 H1 TIP3 433 12.369 -27.905 -10.425 0.00 0.00 WAT1 ATOM 3279 H2 TIP3 433 13.548 -28.847 -10.543 0.00 0.00 WAT1 ATOM 3280 OH2 TIP3 434 4.746 -27.503 -9.115 0.00 0.00 WAT1 ATOM 3281 H1 TIP3 434 4.416 -27.873 -9.934 0.00 0.00 WAT1 ATOM 3282 H2 TIP3 434 5.334 -28.173 -8.769 0.00 0.00 WAT1 ATOM 3283 OH2 TIP3 435 6.113 -24.075 -6.434 0.00 0.00 WAT1 ATOM 3284 H1 TIP3 435 6.018 -24.653 -7.191 0.00 0.00 WAT1 ATOM 3285 H2 TIP3 435 6.842 -24.446 -5.938 0.00 0.00 WAT1 ATOM 3286 OH2 TIP3 436 5.113 -28.734 -5.482 0.00 0.00 WAT1 ATOM 3287 H1 TIP3 436 5.678 -28.613 -6.245 0.00 0.00 WAT1 ATOM 3288 H2 TIP3 436 5.432 -28.097 -4.843 0.00 0.00 WAT1 ATOM 3289 OH2 TIP3 437 5.993 -24.335 -0.765 0.00 0.00 WAT1 ATOM 3290 H1 TIP3 437 5.681 -23.553 -0.309 0.00 0.00 WAT1 ATOM 3291 H2 TIP3 437 5.343 -24.488 -1.451 0.00 0.00 WAT1 ATOM 3292 OH2 TIP3 438 2.913 -28.137 -1.536 0.00 0.00 WAT1 ATOM 3293 H1 TIP3 438 2.983 -27.486 -0.838 0.00 0.00 WAT1 ATOM 3294 H2 TIP3 438 2.022 -28.034 -1.871 0.00 0.00 WAT1 ATOM 3295 OH2 TIP3 439 9.698 -22.234 -9.878 0.00 0.00 WAT1 ATOM 3296 H1 TIP3 439 10.172 -21.939 -9.100 0.00 0.00 WAT1 ATOM 3297 H2 TIP3 439 9.135 -21.496 -10.111 0.00 0.00 WAT1 ATOM 3298 OH2 TIP3 440 8.756 -23.050 -1.269 0.00 0.00 WAT1 ATOM 3299 H1 TIP3 440 8.843 -22.224 -0.794 0.00 0.00 WAT1 ATOM 3300 H2 TIP3 440 7.892 -23.380 -1.020 0.00 0.00 WAT1 ATOM 3301 OH2 TIP3 441 4.697 -36.277 -5.672 0.00 0.00 WAT1 ATOM 3302 H1 TIP3 441 3.836 -36.364 -6.080 0.00 0.00 WAT1 ATOM 3303 H2 TIP3 441 4.675 -35.421 -5.245 0.00 0.00 WAT1 ATOM 3304 OH2 TIP3 442 9.360 -36.555 -2.298 0.00 0.00 WAT1 ATOM 3305 H1 TIP3 442 9.780 -36.970 -1.545 0.00 0.00 WAT1 ATOM 3306 H2 TIP3 442 8.427 -36.733 -2.181 0.00 0.00 WAT1 ATOM 3307 OH2 TIP3 443 4.788 -31.311 -4.577 0.00 0.00 WAT1 ATOM 3308 H1 TIP3 443 4.146 -31.352 -3.868 0.00 0.00 WAT1 ATOM 3309 H2 TIP3 443 4.825 -30.385 -4.815 0.00 0.00 WAT1 ATOM 3310 OH2 TIP3 444 4.785 -31.090 -9.665 0.00 0.00 WAT1 ATOM 3311 H1 TIP3 444 3.892 -31.431 -9.724 0.00 0.00 WAT1 ATOM 3312 H2 TIP3 444 5.236 -31.467 -10.421 0.00 0.00 WAT1 ATOM 3313 OH2 TIP3 445 10.321 -30.674 -10.848 0.00 0.00 WAT1 ATOM 3314 H1 TIP3 445 9.912 -29.859 -11.140 0.00 0.00 WAT1 ATOM 3315 H2 TIP3 445 11.041 -30.814 -11.463 0.00 0.00 WAT1 ATOM 3316 OH2 TIP3 446 2.538 -30.991 -2.710 0.00 0.00 WAT1 ATOM 3317 H1 TIP3 446 2.500 -30.591 -1.842 0.00 0.00 WAT1 ATOM 3318 H2 TIP3 446 2.047 -31.808 -2.620 0.00 0.00 WAT1 ATOM 3319 OH2 TIP3 447 7.367 -33.663 -8.579 0.00 0.00 WAT1 ATOM 3320 H1 TIP3 447 6.456 -33.606 -8.290 0.00 0.00 WAT1 ATOM 3321 H2 TIP3 447 7.872 -33.723 -7.768 0.00 0.00 WAT1 ATOM 3322 OH2 TIP3 448 2.657 -26.282 0.570 0.00 0.00 WAT1 ATOM 3323 H1 TIP3 448 3.390 -26.028 1.131 0.00 0.00 WAT1 ATOM 3324 H2 TIP3 448 1.877 -26.078 1.085 0.00 0.00 WAT1 ATOM 3325 OH2 TIP3 449 7.857 -26.274 -12.593 0.00 0.00 WAT1 ATOM 3326 H1 TIP3 449 7.113 -26.781 -12.916 0.00 0.00 WAT1 ATOM 3327 H2 TIP3 449 7.723 -26.225 -11.647 0.00 0.00 WAT1 ATOM 3328 OH2 TIP3 450 2.982 -26.979 -6.824 0.00 0.00 WAT1 ATOM 3329 H1 TIP3 450 3.727 -26.981 -7.425 0.00 0.00 WAT1 ATOM 3330 H2 TIP3 450 3.060 -27.803 -6.342 0.00 0.00 WAT1 ATOM 3331 OH2 TIP3 451 6.784 -25.798 -9.843 0.00 0.00 WAT1 ATOM 3332 H1 TIP3 451 6.543 -24.873 -9.801 0.00 0.00 WAT1 ATOM 3333 H2 TIP3 451 6.044 -26.257 -9.447 0.00 0.00 WAT1 ATOM 3334 OH2 TIP3 452 7.299 -21.649 -3.528 0.00 0.00 WAT1 ATOM 3335 H1 TIP3 452 7.662 -20.794 -3.761 0.00 0.00 WAT1 ATOM 3336 H2 TIP3 452 7.831 -21.941 -2.787 0.00 0.00 WAT1 ATOM 3337 OH2 TIP3 453 13.912 -25.948 -12.527 0.00 0.00 WAT1 ATOM 3338 H1 TIP3 453 13.635 -26.676 -11.971 0.00 0.00 WAT1 ATOM 3339 H2 TIP3 453 14.839 -25.829 -12.321 0.00 0.00 WAT1 ATOM 3340 OH2 TIP3 454 8.343 -32.644 -11.129 0.00 0.00 WAT1 ATOM 3341 H1 TIP3 454 9.155 -32.140 -11.083 0.00 0.00 WAT1 ATOM 3342 H2 TIP3 454 8.098 -32.789 -10.215 0.00 0.00 WAT1 ATOM 3343 OH2 TIP3 455 9.227 -35.563 -10.191 0.00 0.00 WAT1 ATOM 3344 H1 TIP3 455 8.880 -34.945 -9.546 0.00 0.00 WAT1 ATOM 3345 H2 TIP3 455 9.885 -35.062 -10.672 0.00 0.00 WAT1 ATOM 3346 OH2 TIP3 456 15.083 -33.751 -1.109 0.00 0.00 WAT1 ATOM 3347 H1 TIP3 456 14.167 -33.488 -1.197 0.00 0.00 WAT1 ATOM 3348 H2 TIP3 456 15.419 -33.754 -2.006 0.00 0.00 WAT1 ATOM 3349 OH2 TIP3 457 14.772 -20.744 -5.391 0.00 0.00 WAT1 ATOM 3350 H1 TIP3 457 14.616 -20.066 -6.048 0.00 0.00 WAT1 ATOM 3351 H2 TIP3 457 15.704 -20.672 -5.188 0.00 0.00 WAT1 ATOM 3352 OH2 TIP3 458 5.083 -21.154 2.457 0.00 0.00 WAT1 ATOM 3353 H1 TIP3 458 5.851 -21.613 2.798 0.00 0.00 WAT1 ATOM 3354 H2 TIP3 458 5.062 -21.380 1.527 0.00 0.00 WAT1 ATOM 3355 OH2 TIP3 459 5.172 -30.054 -1.415 0.00 0.00 WAT1 ATOM 3356 H1 TIP3 459 4.554 -29.379 -1.134 0.00 0.00 WAT1 ATOM 3357 H2 TIP3 459 5.516 -29.733 -2.248 0.00 0.00 WAT1 ATOM 3358 OH2 TIP3 460 5.512 -32.699 -0.332 0.00 0.00 WAT1 ATOM 3359 H1 TIP3 460 5.662 -33.428 -0.935 0.00 0.00 WAT1 ATOM 3360 H2 TIP3 460 5.514 -31.922 -0.891 0.00 0.00 WAT1 ATOM 3361 OH2 TIP3 461 5.924 -34.329 -2.840 0.00 0.00 WAT1 ATOM 3362 H1 TIP3 461 6.460 -33.878 -3.492 0.00 0.00 WAT1 ATOM 3363 H2 TIP3 461 5.072 -34.437 -3.262 0.00 0.00 WAT1 ATOM 3364 OH2 TIP3 462 3.990 -31.501 1.579 0.00 0.00 WAT1 ATOM 3365 H1 TIP3 462 3.223 -32.033 1.369 0.00 0.00 WAT1 ATOM 3366 H2 TIP3 462 4.669 -31.811 0.980 0.00 0.00 WAT1 ATOM 3367 OH2 TIP3 463 6.730 -36.873 -2.408 0.00 0.00 WAT1 ATOM 3368 H1 TIP3 463 6.632 -35.926 -2.514 0.00 0.00 WAT1 ATOM 3369 H2 TIP3 463 5.987 -37.245 -2.884 0.00 0.00 WAT1 ATOM 3370 OH2 TIP3 464 7.994 -32.551 1.155 0.00 0.00 WAT1 ATOM 3371 H1 TIP3 464 7.758 -32.771 2.057 0.00 0.00 WAT1 ATOM 3372 H2 TIP3 464 7.211 -32.758 0.646 0.00 0.00 WAT1 ATOM 3373 OH2 TIP3 465 10.710 -33.424 0.231 0.00 0.00 WAT1 ATOM 3374 H1 TIP3 465 9.762 -33.392 0.363 0.00 0.00 WAT1 ATOM 3375 H2 TIP3 465 11.022 -34.049 0.885 0.00 0.00 WAT1 ATOM 3376 OH2 TIP3 466 12.344 -34.790 2.236 0.00 0.00 WAT1 ATOM 3377 H1 TIP3 466 12.247 -35.742 2.230 0.00 0.00 WAT1 ATOM 3378 H2 TIP3 466 12.022 -34.521 3.097 0.00 0.00 WAT1 ATOM 3379 OH2 TIP3 467 6.952 -37.579 0.263 0.00 0.00 WAT1 ATOM 3380 H1 TIP3 467 7.664 -38.219 0.249 0.00 0.00 WAT1 ATOM 3381 H2 TIP3 467 6.851 -37.312 -0.651 0.00 0.00 WAT1 ATOM 3382 OH2 TIP3 468 7.305 -35.896 2.317 0.00 0.00 WAT1 ATOM 3383 H1 TIP3 468 7.174 -36.372 1.496 0.00 0.00 WAT1 ATOM 3384 H2 TIP3 468 6.706 -35.152 2.261 0.00 0.00 WAT1 ATOM 3385 OH2 TIP3 469 17.488 -20.094 -5.162 0.00 0.00 WAT1 ATOM 3386 H1 TIP3 469 17.466 -19.909 -4.223 0.00 0.00 WAT1 ATOM 3387 H2 TIP3 469 18.178 -19.525 -5.503 0.00 0.00 WAT1 ATOM 3388 OH2 TIP3 470 16.803 -26.480 -12.088 0.00 0.00 WAT1 ATOM 3389 H1 TIP3 470 17.653 -26.059 -11.960 0.00 0.00 WAT1 ATOM 3390 H2 TIP3 470 16.808 -27.220 -11.480 0.00 0.00 WAT1 ATOM 3391 OH2 TIP3 471 17.197 -28.427 -10.264 0.00 0.00 WAT1 ATOM 3392 H1 TIP3 471 16.471 -28.906 -9.866 0.00 0.00 WAT1 ATOM 3393 H2 TIP3 471 17.778 -28.221 -9.532 0.00 0.00 WAT1 ATOM 3394 OH2 TIP3 472 16.956 -25.642 -5.316 0.00 0.00 WAT1 ATOM 3395 H1 TIP3 472 17.790 -26.020 -5.597 0.00 0.00 WAT1 ATOM 3396 H2 TIP3 472 17.068 -24.699 -5.435 0.00 0.00 WAT1 ATOM 3397 OH2 TIP3 473 14.984 -29.906 -9.701 0.00 0.00 WAT1 ATOM 3398 H1 TIP3 473 14.834 -30.851 -9.721 0.00 0.00 WAT1 ATOM 3399 H2 TIP3 473 14.630 -29.625 -8.857 0.00 0.00 WAT1 ATOM 3400 OH2 TIP3 474 15.306 -31.742 -5.803 0.00 0.00 WAT1 ATOM 3401 H1 TIP3 474 16.239 -31.530 -5.837 0.00 0.00 WAT1 ATOM 3402 H2 TIP3 474 15.071 -31.640 -4.880 0.00 0.00 WAT1 ATOM 3403 OH2 TIP3 475 17.138 -34.916 0.676 0.00 0.00 WAT1 ATOM 3404 H1 TIP3 475 16.221 -34.645 0.640 0.00 0.00 WAT1 ATOM 3405 H2 TIP3 475 17.261 -35.451 -0.108 0.00 0.00 WAT1 ATOM 3406 OH2 TIP3 476 8.876 -20.701 0.171 0.00 0.00 WAT1 ATOM 3407 H1 TIP3 476 9.061 -21.035 1.049 0.00 0.00 WAT1 ATOM 3408 H2 TIP3 476 9.723 -20.392 -0.151 0.00 0.00 WAT1 ATOM 3409 OH2 TIP3 477 16.139 -36.826 -1.505 0.00 0.00 WAT1 ATOM 3410 H1 TIP3 477 15.326 -36.501 -1.893 0.00 0.00 WAT1 ATOM 3411 H2 TIP3 477 16.372 -37.586 -2.038 0.00 0.00 WAT1 ATOM 3412 OH2 TIP3 478 9.145 -19.356 -4.535 0.00 0.00 WAT1 ATOM 3413 H1 TIP3 478 8.688 -18.827 -5.189 0.00 0.00 WAT1 ATOM 3414 H2 TIP3 478 9.308 -18.753 -3.810 0.00 0.00 WAT1 ATOM 3415 OH2 TIP3 479 11.472 -20.478 -3.590 0.00 0.00 WAT1 ATOM 3416 H1 TIP3 479 10.568 -20.313 -3.856 0.00 0.00 WAT1 ATOM 3417 H2 TIP3 479 11.901 -19.625 -3.656 0.00 0.00 WAT1 ATOM 3418 OH2 TIP3 480 9.569 -35.377 -7.182 0.00 0.00 WAT1 ATOM 3419 H1 TIP3 480 8.894 -36.006 -6.927 0.00 0.00 WAT1 ATOM 3420 H2 TIP3 480 10.133 -35.861 -7.785 0.00 0.00 WAT1 ATOM 3421 OH2 TIP3 481 14.711 -37.270 -7.070 0.00 0.00 WAT1 ATOM 3422 H1 TIP3 481 15.315 -36.722 -7.571 0.00 0.00 WAT1 ATOM 3423 H2 TIP3 481 13.842 -36.950 -7.310 0.00 0.00 WAT1 ATOM 3424 OH2 TIP3 482 16.438 -36.131 -8.736 0.00 0.00 WAT1 ATOM 3425 H1 TIP3 482 17.050 -36.645 -9.263 0.00 0.00 WAT1 ATOM 3426 H2 TIP3 482 16.821 -35.253 -8.713 0.00 0.00 WAT1 ATOM 3427 OH2 TIP3 483 12.032 -36.786 -7.898 0.00 0.00 WAT1 ATOM 3428 H1 TIP3 483 12.108 -36.691 -8.847 0.00 0.00 WAT1 ATOM 3429 H2 TIP3 483 11.756 -37.694 -7.769 0.00 0.00 WAT1 ATOM 3430 OH2 TIP3 484 12.248 -37.546 1.875 0.00 0.00 WAT1 ATOM 3431 H1 TIP3 484 12.324 -37.972 2.729 0.00 0.00 WAT1 ATOM 3432 H2 TIP3 484 13.141 -37.532 1.533 0.00 0.00 WAT1 ATOM 3433 OH2 TIP3 485 10.974 -27.587 9.454 0.00 0.00 WAT1 ATOM 3434 H1 TIP3 485 11.063 -26.643 9.322 0.00 0.00 WAT1 ATOM 3435 H2 TIP3 485 10.335 -27.862 8.796 0.00 0.00 WAT1 ATOM 3436 OH2 TIP3 486 13.613 -25.393 11.175 0.00 0.00 WAT1 ATOM 3437 H1 TIP3 486 13.172 -26.113 11.625 0.00 0.00 WAT1 ATOM 3438 H2 TIP3 486 13.600 -24.672 11.805 0.00 0.00 WAT1 ATOM 3439 OH2 TIP3 487 -0.191 -30.607 8.394 0.00 0.00 WAT1 ATOM 3440 H1 TIP3 487 -0.639 -29.761 8.376 0.00 0.00 WAT1 ATOM 3441 H2 TIP3 487 -0.752 -31.187 7.879 0.00 0.00 WAT1 ATOM 3442 OH2 TIP3 488 0.519 -28.445 10.520 0.00 0.00 WAT1 ATOM 3443 H1 TIP3 488 0.733 -29.215 11.047 0.00 0.00 WAT1 ATOM 3444 H2 TIP3 488 1.257 -28.356 9.917 0.00 0.00 WAT1 ATOM 3445 OH2 TIP3 489 6.368 -29.457 10.857 0.00 0.00 WAT1 ATOM 3446 H1 TIP3 489 6.984 -29.983 11.366 0.00 0.00 WAT1 ATOM 3447 H2 TIP3 489 5.782 -30.097 10.453 0.00 0.00 WAT1 ATOM 3448 OH2 TIP3 490 10.771 -24.986 8.497 0.00 0.00 WAT1 ATOM 3449 H1 TIP3 490 10.475 -25.308 7.646 0.00 0.00 WAT1 ATOM 3450 H2 TIP3 490 10.447 -24.086 8.539 0.00 0.00 WAT1 ATOM 3451 OH2 TIP3 491 0.500 -25.175 6.810 0.00 0.00 WAT1 ATOM 3452 H1 TIP3 491 0.228 -24.946 5.921 0.00 0.00 WAT1 ATOM 3453 H2 TIP3 491 0.545 -24.337 7.270 0.00 0.00 WAT1 ATOM 3454 OH2 TIP3 492 7.428 -37.180 12.406 0.00 0.00 WAT1 ATOM 3455 H1 TIP3 492 7.311 -38.129 12.352 0.00 0.00 WAT1 ATOM 3456 H2 TIP3 492 6.573 -36.848 12.679 0.00 0.00 WAT1 ATOM 3457 OH2 TIP3 493 13.101 -28.133 7.858 0.00 0.00 WAT1 ATOM 3458 H1 TIP3 493 12.369 -27.905 8.431 0.00 0.00 WAT1 ATOM 3459 H2 TIP3 493 13.548 -28.847 8.313 0.00 0.00 WAT1 ATOM 3460 OH2 TIP3 494 4.746 -27.503 9.741 0.00 0.00 WAT1 ATOM 3461 H1 TIP3 494 4.416 -27.873 8.922 0.00 0.00 WAT1 ATOM 3462 H2 TIP3 494 5.334 -28.173 10.087 0.00 0.00 WAT1 ATOM 3463 OH2 TIP3 495 9.698 -22.234 8.978 0.00 0.00 WAT1 ATOM 3464 H1 TIP3 495 10.172 -21.939 9.756 0.00 0.00 WAT1 ATOM 3465 H2 TIP3 495 9.135 -21.496 8.745 0.00 0.00 WAT1 ATOM 3466 OH2 TIP3 496 15.670 -37.221 5.356 0.00 0.00 WAT1 ATOM 3467 H1 TIP3 496 14.771 -37.082 5.651 0.00 0.00 WAT1 ATOM 3468 H2 TIP3 496 15.922 -36.390 4.954 0.00 0.00 WAT1 ATOM 3469 OH2 TIP3 497 3.736 -28.433 7.330 0.00 0.00 WAT1 ATOM 3470 H1 TIP3 497 3.444 -27.665 6.839 0.00 0.00 WAT1 ATOM 3471 H2 TIP3 497 3.062 -29.093 7.167 0.00 0.00 WAT1 ATOM 3472 OH2 TIP3 498 2.824 -20.489 9.174 0.00 0.00 WAT1 ATOM 3473 H1 TIP3 498 2.976 -20.837 10.053 0.00 0.00 WAT1 ATOM 3474 H2 TIP3 498 1.973 -20.845 8.919 0.00 0.00 WAT1 ATOM 3475 OH2 TIP3 499 9.022 -34.062 3.843 0.00 0.00 WAT1 ATOM 3476 H1 TIP3 499 8.768 -34.043 4.766 0.00 0.00 WAT1 ATOM 3477 H2 TIP3 499 8.765 -34.934 3.542 0.00 0.00 WAT1 ATOM 3478 OH2 TIP3 500 4.785 -31.090 9.191 0.00 0.00 WAT1 ATOM 3479 H1 TIP3 500 3.892 -31.431 9.132 0.00 0.00 WAT1 ATOM 3480 H2 TIP3 500 5.236 -31.467 8.435 0.00 0.00 WAT1 ATOM 3481 OH2 TIP3 501 10.321 -30.674 8.008 0.00 0.00 WAT1 ATOM 3482 H1 TIP3 501 9.912 -29.859 7.716 0.00 0.00 WAT1 ATOM 3483 H2 TIP3 501 11.041 -30.814 7.393 0.00 0.00 WAT1 ATOM 3484 OH2 TIP3 502 5.904 -33.617 2.944 0.00 0.00 WAT1 ATOM 3485 H1 TIP3 502 5.473 -34.062 3.674 0.00 0.00 WAT1 ATOM 3486 H2 TIP3 502 5.186 -33.245 2.432 0.00 0.00 WAT1 ATOM 3487 OH2 TIP3 503 -0.854 -33.875 9.996 0.00 0.00 WAT1 ATOM 3488 H1 TIP3 503 -0.223 -33.904 10.716 0.00 0.00 WAT1 ATOM 3489 H2 TIP3 503 -0.404 -34.300 9.266 0.00 0.00 WAT1 ATOM 3490 OH2 TIP3 504 0.421 -33.129 5.420 0.00 0.00 WAT1 ATOM 3491 H1 TIP3 504 0.895 -32.538 4.835 0.00 0.00 WAT1 ATOM 3492 H2 TIP3 504 -0.297 -32.598 5.767 0.00 0.00 WAT1 ATOM 3493 OH2 TIP3 505 7.367 -33.663 10.277 0.00 0.00 WAT1 ATOM 3494 H1 TIP3 505 6.456 -33.606 10.566 0.00 0.00 WAT1 ATOM 3495 H2 TIP3 505 7.872 -33.723 11.088 0.00 0.00 WAT1 ATOM 3496 OH2 TIP3 506 2.195 -32.034 9.104 0.00 0.00 WAT1 ATOM 3497 H1 TIP3 506 1.306 -31.934 8.764 0.00 0.00 WAT1 ATOM 3498 H2 TIP3 506 2.491 -32.876 8.758 0.00 0.00 WAT1 ATOM 3499 OH2 TIP3 507 5.848 -32.034 6.760 0.00 0.00 WAT1 ATOM 3500 H1 TIP3 507 6.780 -31.905 6.938 0.00 0.00 WAT1 ATOM 3501 H2 TIP3 507 5.633 -31.364 6.111 0.00 0.00 WAT1 ATOM 3502 OH2 TIP3 508 4.522 -30.839 4.327 0.00 0.00 WAT1 ATOM 3503 H1 TIP3 508 3.980 -31.219 3.636 0.00 0.00 WAT1 ATOM 3504 H2 TIP3 508 5.356 -30.645 3.898 0.00 0.00 WAT1 ATOM 3505 OH2 TIP3 509 3.689 -34.739 8.582 0.00 0.00 WAT1 ATOM 3506 H1 TIP3 509 3.372 -35.641 8.547 0.00 0.00 WAT1 ATOM 3507 H2 TIP3 509 4.470 -34.737 8.030 0.00 0.00 WAT1 ATOM 3508 OH2 TIP3 510 7.857 -26.274 6.263 0.00 0.00 WAT1 ATOM 3509 H1 TIP3 510 7.113 -26.781 5.940 0.00 0.00 WAT1 ATOM 3510 H2 TIP3 510 7.723 -26.225 7.209 0.00 0.00 WAT1 ATOM 3511 OH2 TIP3 511 11.755 -33.460 4.462 0.00 0.00 WAT1 ATOM 3512 H1 TIP3 511 10.817 -33.348 4.311 0.00 0.00 WAT1 ATOM 3513 H2 TIP3 511 12.052 -32.603 4.768 0.00 0.00 WAT1 ATOM 3514 OH2 TIP3 512 5.357 -23.461 9.437 0.00 0.00 WAT1 ATOM 3515 H1 TIP3 512 5.884 -22.688 9.236 0.00 0.00 WAT1 ATOM 3516 H2 TIP3 512 4.477 -23.236 9.135 0.00 0.00 WAT1 ATOM 3517 OH2 TIP3 513 6.784 -25.798 9.013 0.00 0.00 WAT1 ATOM 3518 H1 TIP3 513 6.543 -24.873 9.055 0.00 0.00 WAT1 ATOM 3519 H2 TIP3 513 6.044 -26.257 9.409 0.00 0.00 WAT1 ATOM 3520 OH2 TIP3 514 5.468 -20.776 8.558 0.00 0.00 WAT1 ATOM 3521 H1 TIP3 514 4.518 -20.671 8.610 0.00 0.00 WAT1 ATOM 3522 H2 TIP3 514 5.819 -19.956 8.903 0.00 0.00 WAT1 ATOM 3523 OH2 TIP3 515 7.137 -23.509 2.550 0.00 0.00 WAT1 ATOM 3524 H1 TIP3 515 7.376 -24.257 2.002 0.00 0.00 WAT1 ATOM 3525 H2 TIP3 515 6.868 -23.897 3.382 0.00 0.00 WAT1 ATOM 3526 OH2 TIP3 516 6.074 -23.939 5.006 0.00 0.00 WAT1 ATOM 3527 H1 TIP3 516 6.221 -24.459 5.796 0.00 0.00 WAT1 ATOM 3528 H2 TIP3 516 6.071 -23.032 5.312 0.00 0.00 WAT1 ATOM 3529 OH2 TIP3 517 2.527 -26.686 5.516 0.00 0.00 WAT1 ATOM 3530 H1 TIP3 517 1.841 -26.334 6.083 0.00 0.00 WAT1 ATOM 3531 H2 TIP3 517 3.050 -25.923 5.270 0.00 0.00 WAT1 ATOM 3532 OH2 TIP3 518 11.143 -34.372 6.892 0.00 0.00 WAT1 ATOM 3533 H1 TIP3 518 11.363 -33.900 6.089 0.00 0.00 WAT1 ATOM 3534 H2 TIP3 518 11.701 -33.977 7.563 0.00 0.00 WAT1 ATOM 3535 OH2 TIP3 519 8.343 -32.644 7.727 0.00 0.00 WAT1 ATOM 3536 H1 TIP3 519 9.155 -32.140 7.773 0.00 0.00 WAT1 ATOM 3537 H2 TIP3 519 8.098 -32.789 8.641 0.00 0.00 WAT1 ATOM 3538 OH2 TIP3 520 9.227 -35.563 8.665 0.00 0.00 WAT1 ATOM 3539 H1 TIP3 520 8.880 -34.945 9.310 0.00 0.00 WAT1 ATOM 3540 H2 TIP3 520 9.885 -35.062 8.184 0.00 0.00 WAT1 ATOM 3541 OH2 TIP3 521 6.150 -21.198 5.737 0.00 0.00 WAT1 ATOM 3542 H1 TIP3 521 6.311 -20.398 5.236 0.00 0.00 WAT1 ATOM 3543 H2 TIP3 521 5.953 -20.891 6.622 0.00 0.00 WAT1 ATOM 3544 OH2 TIP3 522 4.884 -34.500 5.353 0.00 0.00 WAT1 ATOM 3545 H1 TIP3 522 4.801 -33.611 5.699 0.00 0.00 WAT1 ATOM 3546 H2 TIP3 522 5.774 -34.765 5.584 0.00 0.00 WAT1 ATOM 3547 OH2 TIP3 523 3.143 -24.072 4.413 0.00 0.00 WAT1 ATOM 3548 H1 TIP3 523 3.735 -23.373 4.689 0.00 0.00 WAT1 ATOM 3549 H2 TIP3 523 3.602 -24.505 3.694 0.00 0.00 WAT1 ATOM 3550 OH2 TIP3 524 1.197 -22.686 8.363 0.00 0.00 WAT1 ATOM 3551 H1 TIP3 524 0.365 -22.213 8.390 0.00 0.00 WAT1 ATOM 3552 H2 TIP3 524 1.743 -22.176 7.764 0.00 0.00 WAT1 ATOM 3553 OH2 TIP3 525 4.734 -25.919 2.779 0.00 0.00 WAT1 ATOM 3554 H1 TIP3 525 4.798 -26.713 3.310 0.00 0.00 WAT1 ATOM 3555 H2 TIP3 525 5.387 -26.038 2.090 0.00 0.00 WAT1 ATOM 3556 OH2 TIP3 526 6.852 -19.013 4.349 0.00 0.00 WAT1 ATOM 3557 H1 TIP3 526 7.785 -18.855 4.493 0.00 0.00 WAT1 ATOM 3558 H2 TIP3 526 6.588 -18.338 3.724 0.00 0.00 WAT1 ATOM 3559 OH2 TIP3 527 -0.931 -18.984 8.909 0.00 0.00 WAT1 ATOM 3560 H1 TIP3 527 -1.578 -19.446 8.376 0.00 0.00 WAT1 ATOM 3561 H2 TIP3 527 -0.576 -19.656 9.492 0.00 0.00 WAT1 ATOM 3562 OH2 TIP3 528 15.062 -33.878 2.651 0.00 0.00 WAT1 ATOM 3563 H1 TIP3 528 15.672 -34.250 3.288 0.00 0.00 WAT1 ATOM 3564 H2 TIP3 528 14.225 -34.300 2.847 0.00 0.00 WAT1 ATOM 3565 OH2 TIP3 529 14.694 -32.323 7.617 0.00 0.00 WAT1 ATOM 3566 H1 TIP3 529 14.974 -33.230 7.742 0.00 0.00 WAT1 ATOM 3567 H2 TIP3 529 15.453 -31.889 7.228 0.00 0.00 WAT1 ATOM 3568 OH2 TIP3 530 15.308 -35.060 7.666 0.00 0.00 WAT1 ATOM 3569 H1 TIP3 530 15.490 -35.509 8.491 0.00 0.00 WAT1 ATOM 3570 H2 TIP3 530 14.708 -35.645 7.202 0.00 0.00 WAT1 ATOM 3571 OH2 TIP3 531 17.174 -34.993 4.194 0.00 0.00 WAT1 ATOM 3572 H1 TIP3 531 17.587 -35.714 3.718 0.00 0.00 WAT1 ATOM 3573 H2 TIP3 531 17.856 -34.323 4.252 0.00 0.00 WAT1 ATOM 3574 OH2 TIP3 532 -0.545 -34.988 7.321 0.00 0.00 WAT1 ATOM 3575 H1 TIP3 532 -1.470 -34.779 7.191 0.00 0.00 WAT1 ATOM 3576 H2 TIP3 532 -0.091 -34.504 6.631 0.00 0.00 WAT1 ATOM 3577 OH2 TIP3 533 9.569 -35.377 11.674 0.00 0.00 WAT1 ATOM 3578 H1 TIP3 533 8.894 -36.006 11.929 0.00 0.00 WAT1 ATOM 3579 H2 TIP3 533 10.133 -35.861 11.071 0.00 0.00 WAT1 ATOM 3580 OH2 TIP3 534 0.732 -36.945 5.299 0.00 0.00 WAT1 ATOM 3581 H1 TIP3 534 1.171 -36.334 4.708 0.00 0.00 WAT1 ATOM 3582 H2 TIP3 534 0.098 -36.407 5.773 0.00 0.00 WAT1 ATOM 3583 OH2 TIP3 535 6.475 -36.816 9.309 0.00 0.00 WAT1 ATOM 3584 H1 TIP3 535 7.349 -36.428 9.279 0.00 0.00 WAT1 ATOM 3585 H2 TIP3 535 6.339 -37.031 10.232 0.00 0.00 WAT1 ATOM 3586 OH2 TIP3 536 13.385 -36.760 6.651 0.00 0.00 WAT1 ATOM 3587 H1 TIP3 536 12.682 -36.146 6.441 0.00 0.00 WAT1 ATOM 3588 H2 TIP3 536 12.940 -37.598 6.782 0.00 0.00 WAT1 ATOM 3589 OH2 TIP3 537 0.633 -20.997 6.197 0.00 0.00 WAT1 ATOM 3590 H1 TIP3 537 -0.052 -21.035 5.529 0.00 0.00 WAT1 ATOM 3591 H2 TIP3 537 0.636 -20.084 6.485 0.00 0.00 WAT1 ATOM 3592 OH2 TIP3 538 7.619 -34.736 6.199 0.00 0.00 WAT1 ATOM 3593 H1 TIP3 538 7.797 -35.382 6.882 0.00 0.00 WAT1 ATOM 3594 H2 TIP3 538 7.565 -33.902 6.666 0.00 0.00 WAT1 ATOM 3595 OH2 TIP3 539 15.222 -25.305 35.990 0.00 0.00 WAT1 ATOM 3596 H1 TIP3 539 15.362 -25.896 35.251 0.00 0.00 WAT1 ATOM 3597 H2 TIP3 539 15.390 -24.432 35.634 0.00 0.00 WAT1 ATOM 3598 OH2 TIP3 540 2.657 -26.282 38.282 0.00 0.00 WAT1 ATOM 3599 H1 TIP3 540 3.390 -26.028 38.843 0.00 0.00 WAT1 ATOM 3600 H2 TIP3 540 1.877 -26.078 38.797 0.00 0.00 WAT1 ATOM 3601 OH2 TIP3 541 17.322 -25.583 37.510 0.00 0.00 WAT1 ATOM 3602 H1 TIP3 541 16.470 -25.345 37.143 0.00 0.00 WAT1 ATOM 3603 H2 TIP3 541 17.912 -25.600 36.757 0.00 0.00 WAT1 ATOM 3604 OH2 TIP3 542 5.083 -21.154 40.169 0.00 0.00 WAT1 ATOM 3605 H1 TIP3 542 5.851 -21.613 40.510 0.00 0.00 WAT1 ATOM 3606 H2 TIP3 542 5.062 -21.380 39.239 0.00 0.00 WAT1 ATOM 3607 OH2 TIP3 543 0.393 -26.263 39.503 0.00 0.00 WAT1 ATOM 3608 H1 TIP3 543 0.537 -27.165 39.217 0.00 0.00 WAT1 ATOM 3609 H2 TIP3 543 -0.380 -25.977 39.015 0.00 0.00 WAT1 ATOM 3610 OH2 TIP3 544 1.225 -29.063 38.923 0.00 0.00 WAT1 ATOM 3611 H1 TIP3 544 1.633 -29.920 38.802 0.00 0.00 WAT1 ATOM 3612 H2 TIP3 544 0.965 -29.048 39.844 0.00 0.00 WAT1 ATOM 3613 OH2 TIP3 545 15.502 -24.737 40.110 0.00 0.00 WAT1 ATOM 3614 H1 TIP3 545 14.636 -24.842 40.504 0.00 0.00 WAT1 ATOM 3615 H2 TIP3 545 15.878 -23.978 40.557 0.00 0.00 WAT1 ATOM 3616 OH2 TIP3 546 15.840 -27.936 37.650 0.00 0.00 WAT1 ATOM 3617 H1 TIP3 546 16.423 -28.670 37.841 0.00 0.00 WAT1 ATOM 3618 H2 TIP3 546 16.404 -27.164 37.696 0.00 0.00 WAT1 ATOM 3619 OH2 TIP3 547 1.611 -23.075 38.665 0.00 0.00 WAT1 ATOM 3620 H1 TIP3 547 0.790 -22.900 38.205 0.00 0.00 WAT1 ATOM 3621 H2 TIP3 547 1.359 -23.148 39.586 0.00 0.00 WAT1 ATOM 3622 OH2 TIP3 548 10.974 -27.587 47.166 0.00 0.00 WAT1 ATOM 3623 H1 TIP3 548 11.063 -26.643 47.034 0.00 0.00 WAT1 ATOM 3624 H2 TIP3 548 10.335 -27.862 46.508 0.00 0.00 WAT1 ATOM 3625 OH2 TIP3 549 16.959 -34.298 51.852 0.00 0.00 WAT1 ATOM 3626 H1 TIP3 549 17.008 -33.688 52.588 0.00 0.00 WAT1 ATOM 3627 H2 TIP3 549 17.385 -33.837 51.129 0.00 0.00 WAT1 ATOM 3628 OH2 TIP3 550 11.437 -31.505 51.319 0.00 0.00 WAT1 ATOM 3629 H1 TIP3 550 11.580 -32.452 51.339 0.00 0.00 WAT1 ATOM 3630 H2 TIP3 550 11.331 -31.298 50.390 0.00 0.00 WAT1 ATOM 3631 OH2 TIP3 551 10.771 -24.986 46.209 0.00 0.00 WAT1 ATOM 3632 H1 TIP3 551 10.475 -25.308 45.358 0.00 0.00 WAT1 ATOM 3633 H2 TIP3 551 10.447 -24.086 46.251 0.00 0.00 WAT1 ATOM 3634 OH2 TIP3 552 14.078 -33.982 48.973 0.00 0.00 WAT1 ATOM 3635 H1 TIP3 552 13.863 -34.748 49.505 0.00 0.00 WAT1 ATOM 3636 H2 TIP3 552 14.734 -33.510 49.486 0.00 0.00 WAT1 ATOM 3637 OH2 TIP3 553 9.695 -28.343 44.618 0.00 0.00 WAT1 ATOM 3638 H1 TIP3 553 8.983 -27.808 44.267 0.00 0.00 WAT1 ATOM 3639 H2 TIP3 553 10.386 -28.287 43.958 0.00 0.00 WAT1 ATOM 3640 OH2 TIP3 554 13.101 -28.133 45.570 0.00 0.00 WAT1 ATOM 3641 H1 TIP3 554 12.369 -27.905 46.143 0.00 0.00 WAT1 ATOM 3642 H2 TIP3 554 13.548 -28.847 46.025 0.00 0.00 WAT1 ATOM 3643 OH2 TIP3 555 11.972 -28.971 43.255 0.00 0.00 WAT1 ATOM 3644 H1 TIP3 555 12.551 -28.821 44.002 0.00 0.00 WAT1 ATOM 3645 H2 TIP3 555 12.386 -28.500 42.532 0.00 0.00 WAT1 ATOM 3646 OH2 TIP3 556 16.860 -22.855 41.445 0.00 0.00 WAT1 ATOM 3647 H1 TIP3 556 16.933 -21.916 41.615 0.00 0.00 WAT1 ATOM 3648 H2 TIP3 556 17.765 -23.160 41.388 0.00 0.00 WAT1 ATOM 3649 OH2 TIP3 557 12.272 -20.124 42.108 0.00 0.00 WAT1 ATOM 3650 H1 TIP3 557 12.647 -20.868 41.637 0.00 0.00 WAT1 ATOM 3651 H2 TIP3 557 12.276 -20.394 43.026 0.00 0.00 WAT1 ATOM 3652 OH2 TIP3 558 13.449 -27.938 40.885 0.00 0.00 WAT1 ATOM 3653 H1 TIP3 558 13.491 -28.161 39.955 0.00 0.00 WAT1 ATOM 3654 H2 TIP3 558 14.298 -27.540 41.075 0.00 0.00 WAT1 ATOM 3655 OH2 TIP3 559 10.321 -30.674 45.720 0.00 0.00 WAT1 ATOM 3656 H1 TIP3 559 9.912 -29.859 45.428 0.00 0.00 WAT1 ATOM 3657 H2 TIP3 559 11.041 -30.814 45.105 0.00 0.00 WAT1 ATOM 3658 OH2 TIP3 560 11.325 -31.228 48.534 0.00 0.00 WAT1 ATOM 3659 H1 TIP3 560 11.130 -30.623 47.819 0.00 0.00 WAT1 ATOM 3660 H2 TIP3 560 11.507 -32.062 48.099 0.00 0.00 WAT1 ATOM 3661 OH2 TIP3 561 0.421 -33.129 43.132 0.00 0.00 WAT1 ATOM 3662 H1 TIP3 561 0.895 -32.538 42.547 0.00 0.00 WAT1 ATOM 3663 H2 TIP3 561 -0.297 -32.598 43.479 0.00 0.00 WAT1 ATOM 3664 OH2 TIP3 562 7.367 -33.663 47.989 0.00 0.00 WAT1 ATOM 3665 H1 TIP3 562 6.456 -33.606 48.278 0.00 0.00 WAT1 ATOM 3666 H2 TIP3 562 7.872 -33.723 48.800 0.00 0.00 WAT1 ATOM 3667 OH2 TIP3 563 5.848 -32.034 44.472 0.00 0.00 WAT1 ATOM 3668 H1 TIP3 563 6.780 -31.905 44.650 0.00 0.00 WAT1 ATOM 3669 H2 TIP3 563 5.633 -31.364 43.823 0.00 0.00 WAT1 ATOM 3670 OH2 TIP3 564 11.772 -34.428 51.253 0.00 0.00 WAT1 ATOM 3671 H1 TIP3 564 11.095 -34.297 51.917 0.00 0.00 WAT1 ATOM 3672 H2 TIP3 564 11.286 -34.583 50.443 0.00 0.00 WAT1 ATOM 3673 OH2 TIP3 565 4.522 -30.839 42.039 0.00 0.00 WAT1 ATOM 3674 H1 TIP3 565 3.980 -31.219 41.348 0.00 0.00 WAT1 ATOM 3675 H2 TIP3 565 5.356 -30.645 41.610 0.00 0.00 WAT1 ATOM 3676 OH2 TIP3 566 8.687 -30.875 49.876 0.00 0.00 WAT1 ATOM 3677 H1 TIP3 566 9.251 -31.422 49.329 0.00 0.00 WAT1 ATOM 3678 H2 TIP3 566 8.539 -31.397 50.665 0.00 0.00 WAT1 ATOM 3679 OH2 TIP3 567 3.689 -34.739 46.294 0.00 0.00 WAT1 ATOM 3680 H1 TIP3 567 3.372 -35.641 46.259 0.00 0.00 WAT1 ATOM 3681 H2 TIP3 567 4.470 -34.737 45.742 0.00 0.00 WAT1 ATOM 3682 OH2 TIP3 568 7.857 -26.274 43.975 0.00 0.00 WAT1 ATOM 3683 H1 TIP3 568 7.113 -26.781 43.652 0.00 0.00 WAT1 ATOM 3684 H2 TIP3 568 7.723 -26.225 44.921 0.00 0.00 WAT1 ATOM 3685 OH2 TIP3 569 9.983 -24.815 43.000 0.00 0.00 WAT1 ATOM 3686 H1 TIP3 569 9.688 -23.989 43.382 0.00 0.00 WAT1 ATOM 3687 H2 TIP3 569 9.280 -25.435 43.196 0.00 0.00 WAT1 ATOM 3688 OH2 TIP3 570 1.112 -28.599 41.736 0.00 0.00 WAT1 ATOM 3689 H1 TIP3 570 1.728 -27.972 42.115 0.00 0.00 WAT1 ATOM 3690 H2 TIP3 570 0.250 -28.283 42.007 0.00 0.00 WAT1 ATOM 3691 OH2 TIP3 571 13.046 -24.621 41.815 0.00 0.00 WAT1 ATOM 3692 H1 TIP3 571 13.399 -25.001 42.619 0.00 0.00 WAT1 ATOM 3693 H2 TIP3 571 12.097 -24.714 41.901 0.00 0.00 WAT1 ATOM 3694 OH2 TIP3 572 17.550 -20.141 42.016 0.00 0.00 WAT1 ATOM 3695 H1 TIP3 572 18.293 -19.555 41.876 0.00 0.00 WAT1 ATOM 3696 H2 TIP3 572 16.855 -19.573 42.349 0.00 0.00 WAT1 ATOM 3697 OH2 TIP3 573 13.912 -25.948 44.041 0.00 0.00 WAT1 ATOM 3698 H1 TIP3 573 13.635 -26.676 44.597 0.00 0.00 WAT1 ATOM 3699 H2 TIP3 573 14.839 -25.829 44.247 0.00 0.00 WAT1 ATOM 3700 OH2 TIP3 574 7.137 -23.509 40.262 0.00 0.00 WAT1 ATOM 3701 H1 TIP3 574 7.376 -24.257 39.714 0.00 0.00 WAT1 ATOM 3702 H2 TIP3 574 6.868 -23.897 41.094 0.00 0.00 WAT1 ATOM 3703 OH2 TIP3 575 6.074 -23.939 42.718 0.00 0.00 WAT1 ATOM 3704 H1 TIP3 575 6.221 -24.459 43.508 0.00 0.00 WAT1 ATOM 3705 H2 TIP3 575 6.071 -23.032 43.024 0.00 0.00 WAT1 ATOM 3706 OH2 TIP3 576 8.812 -22.241 43.467 0.00 0.00 WAT1 ATOM 3707 H1 TIP3 576 7.995 -21.744 43.520 0.00 0.00 WAT1 ATOM 3708 H2 TIP3 576 9.341 -21.766 42.827 0.00 0.00 WAT1 ATOM 3709 OH2 TIP3 577 8.343 -32.644 45.439 0.00 0.00 WAT1 ATOM 3710 H1 TIP3 577 9.155 -32.140 45.485 0.00 0.00 WAT1 ATOM 3711 H2 TIP3 577 8.098 -32.789 46.353 0.00 0.00 WAT1 ATOM 3712 OH2 TIP3 578 9.227 -35.563 46.377 0.00 0.00 WAT1 ATOM 3713 H1 TIP3 578 8.880 -34.945 47.022 0.00 0.00 WAT1 ATOM 3714 H2 TIP3 578 9.885 -35.062 45.896 0.00 0.00 WAT1 ATOM 3715 OH2 TIP3 579 4.884 -34.500 43.065 0.00 0.00 WAT1 ATOM 3716 H1 TIP3 579 4.801 -33.611 43.411 0.00 0.00 WAT1 ATOM 3717 H2 TIP3 579 5.774 -34.765 43.296 0.00 0.00 WAT1 ATOM 3718 OH2 TIP3 580 13.685 -30.000 49.555 0.00 0.00 WAT1 ATOM 3719 H1 TIP3 580 12.888 -30.415 49.226 0.00 0.00 WAT1 ATOM 3720 H2 TIP3 580 14.130 -30.691 50.046 0.00 0.00 WAT1 ATOM 3721 OH2 TIP3 581 1.459 -31.408 41.241 0.00 0.00 WAT1 ATOM 3722 H1 TIP3 581 1.414 -30.469 41.420 0.00 0.00 WAT1 ATOM 3723 H2 TIP3 581 0.571 -31.644 40.971 0.00 0.00 WAT1 ATOM 3724 OH2 TIP3 582 9.175 -21.646 40.400 0.00 0.00 WAT1 ATOM 3725 H1 TIP3 582 8.531 -22.277 40.722 0.00 0.00 WAT1 ATOM 3726 H2 TIP3 582 9.937 -22.177 40.168 0.00 0.00 WAT1 ATOM 3727 OH2 TIP3 583 13.779 -21.829 40.634 0.00 0.00 WAT1 ATOM 3728 H1 TIP3 583 14.062 -22.623 41.087 0.00 0.00 WAT1 ATOM 3729 H2 TIP3 583 14.519 -21.596 40.073 0.00 0.00 WAT1 ATOM 3730 OH2 TIP3 584 4.734 -25.919 40.491 0.00 0.00 WAT1 ATOM 3731 H1 TIP3 584 4.798 -26.713 41.022 0.00 0.00 WAT1 ATOM 3732 H2 TIP3 584 5.387 -26.038 39.802 0.00 0.00 WAT1 ATOM 3733 OH2 TIP3 585 5.883 -27.947 42.797 0.00 0.00 WAT1 ATOM 3734 H1 TIP3 585 5.424 -28.431 43.483 0.00 0.00 WAT1 ATOM 3735 H2 TIP3 585 6.138 -28.615 42.161 0.00 0.00 WAT1 ATOM 3736 OH2 TIP3 586 6.954 -29.704 41.060 0.00 0.00 WAT1 ATOM 3737 H1 TIP3 586 6.774 -29.858 40.132 0.00 0.00 WAT1 ATOM 3738 H2 TIP3 586 7.905 -29.596 41.104 0.00 0.00 WAT1 ATOM 3739 OH2 TIP3 587 16.344 -27.349 40.505 0.00 0.00 WAT1 ATOM 3740 H1 TIP3 587 16.071 -27.774 39.692 0.00 0.00 WAT1 ATOM 3741 H2 TIP3 587 16.384 -26.418 40.288 0.00 0.00 WAT1 ATOM 3742 OH2 TIP3 588 6.852 -19.013 42.061 0.00 0.00 WAT1 ATOM 3743 H1 TIP3 588 7.785 -18.855 42.205 0.00 0.00 WAT1 ATOM 3744 H2 TIP3 588 6.588 -18.338 41.436 0.00 0.00 WAT1 ATOM 3745 OH2 TIP3 589 0.420 -24.377 41.544 0.00 0.00 WAT1 ATOM 3746 H1 TIP3 589 1.334 -24.298 41.817 0.00 0.00 WAT1 ATOM 3747 H2 TIP3 589 0.427 -25.064 40.877 0.00 0.00 WAT1 ATOM 3748 OH2 TIP3 590 16.803 -26.480 44.480 0.00 0.00 WAT1 ATOM 3749 H1 TIP3 590 17.653 -26.059 44.608 0.00 0.00 WAT1 ATOM 3750 H2 TIP3 590 16.808 -27.220 45.088 0.00 0.00 WAT1 ATOM 3751 OH2 TIP3 591 17.197 -28.427 46.304 0.00 0.00 WAT1 ATOM 3752 H1 TIP3 591 16.471 -28.906 46.702 0.00 0.00 WAT1 ATOM 3753 H2 TIP3 591 17.778 -28.221 47.036 0.00 0.00 WAT1 ATOM 3754 OH2 TIP3 592 17.465 -28.526 42.695 0.00 0.00 WAT1 ATOM 3755 H1 TIP3 592 16.944 -28.169 41.976 0.00 0.00 WAT1 ATOM 3756 H2 TIP3 592 17.432 -27.851 43.373 0.00 0.00 WAT1 ATOM 3757 OH2 TIP3 593 14.984 -29.906 46.867 0.00 0.00 WAT1 ATOM 3758 H1 TIP3 593 14.834 -30.851 46.847 0.00 0.00 WAT1 ATOM 3759 H2 TIP3 593 14.630 -29.625 47.711 0.00 0.00 WAT1 ATOM 3760 OH2 TIP3 594 15.306 -31.742 50.765 0.00 0.00 WAT1 ATOM 3761 H1 TIP3 594 16.239 -31.530 50.731 0.00 0.00 WAT1 ATOM 3762 H2 TIP3 594 15.071 -31.640 51.688 0.00 0.00 WAT1 ATOM 3763 OH2 TIP3 595 -0.545 -34.988 45.033 0.00 0.00 WAT1 ATOM 3764 H1 TIP3 595 -1.470 -34.779 44.903 0.00 0.00 WAT1 ATOM 3765 H2 TIP3 595 -0.091 -34.504 44.343 0.00 0.00 WAT1 ATOM 3766 OH2 TIP3 596 9.569 -35.377 49.386 0.00 0.00 WAT1 ATOM 3767 H1 TIP3 596 8.894 -36.006 49.641 0.00 0.00 WAT1 ATOM 3768 H2 TIP3 596 10.133 -35.861 48.783 0.00 0.00 WAT1 ATOM 3769 OH2 TIP3 597 14.711 -37.270 49.498 0.00 0.00 WAT1 ATOM 3770 H1 TIP3 597 15.315 -36.722 48.997 0.00 0.00 WAT1 ATOM 3771 H2 TIP3 597 13.842 -36.950 49.258 0.00 0.00 WAT1 ATOM 3772 OH2 TIP3 598 16.438 -36.131 47.832 0.00 0.00 WAT1 ATOM 3773 H1 TIP3 598 17.050 -36.645 47.305 0.00 0.00 WAT1 ATOM 3774 H2 TIP3 598 16.821 -35.253 47.855 0.00 0.00 WAT1 ATOM 3775 OH2 TIP3 599 1.895 -36.743 47.208 0.00 0.00 WAT1 ATOM 3776 H1 TIP3 599 1.118 -36.977 46.700 0.00 0.00 WAT1 ATOM 3777 H2 TIP3 599 2.426 -37.540 47.216 0.00 0.00 WAT1 ATOM 3778 OH2 TIP3 600 0.732 -36.945 43.011 0.00 0.00 WAT1 ATOM 3779 H1 TIP3 600 1.171 -36.334 42.420 0.00 0.00 WAT1 ATOM 3780 H2 TIP3 600 0.098 -36.407 43.485 0.00 0.00 WAT1 ATOM 3781 OH2 TIP3 601 6.475 -36.816 47.021 0.00 0.00 WAT1 ATOM 3782 H1 TIP3 601 7.349 -36.428 46.991 0.00 0.00 WAT1 ATOM 3783 H2 TIP3 601 6.339 -37.031 47.944 0.00 0.00 WAT1 ATOM 3784 OH2 TIP3 602 12.032 -36.786 48.670 0.00 0.00 WAT1 ATOM 3785 H1 TIP3 602 12.108 -36.691 47.721 0.00 0.00 WAT1 ATOM 3786 H2 TIP3 602 11.756 -37.694 48.799 0.00 0.00 WAT1 ATOM 3787 OH2 TIP3 603 7.619 -34.736 43.911 0.00 0.00 WAT1 ATOM 3788 H1 TIP3 603 7.797 -35.382 44.594 0.00 0.00 WAT1 ATOM 3789 H2 TIP3 603 7.565 -33.902 44.378 0.00 0.00 WAT1 ATOM 3790 OH2 TIP3 604 9.497 -19.787 42.306 0.00 0.00 WAT1 ATOM 3791 H1 TIP3 604 10.363 -19.421 42.128 0.00 0.00 WAT1 ATOM 3792 H2 TIP3 604 9.250 -20.227 41.493 0.00 0.00 WAT1 ATOM 3793 OH2 TIP3 605 2.451 -20.077 40.934 0.00 0.00 WAT1 ATOM 3794 H1 TIP3 605 2.183 -19.790 41.807 0.00 0.00 WAT1 ATOM 3795 H2 TIP3 605 3.222 -20.623 41.086 0.00 0.00 WAT1 ATOM 3796 OH2 TIP3 606 16.959 -15.442 -4.716 0.00 0.00 WAT1 ATOM 3797 H1 TIP3 606 17.008 -14.832 -3.980 0.00 0.00 WAT1 ATOM 3798 H2 TIP3 606 17.385 -14.981 -5.439 0.00 0.00 WAT1 ATOM 3799 OH2 TIP3 607 17.351 -13.964 -2.480 0.00 0.00 WAT1 ATOM 3800 H1 TIP3 607 16.662 -13.306 -2.575 0.00 0.00 WAT1 ATOM 3801 H2 TIP3 607 17.366 -14.161 -1.543 0.00 0.00 WAT1 ATOM 3802 OH2 TIP3 608 14.425 -16.411 -3.916 0.00 0.00 WAT1 ATOM 3803 H1 TIP3 608 13.689 -15.800 -3.954 0.00 0.00 WAT1 ATOM 3804 H2 TIP3 608 15.109 -15.996 -4.442 0.00 0.00 WAT1 ATOM 3805 OH2 TIP3 609 12.998 -11.103 -1.930 0.00 0.00 WAT1 ATOM 3806 H1 TIP3 609 13.078 -10.340 -1.358 0.00 0.00 WAT1 ATOM 3807 H2 TIP3 609 12.397 -10.824 -2.621 0.00 0.00 WAT1 ATOM 3808 OH2 TIP3 610 14.929 -12.275 0.335 0.00 0.00 WAT1 ATOM 3809 H1 TIP3 610 14.522 -11.794 -0.385 0.00 0.00 WAT1 ATOM 3810 H2 TIP3 610 14.970 -13.180 0.028 0.00 0.00 WAT1 ATOM 3811 OH2 TIP3 611 9.360 -17.699 -2.298 0.00 0.00 WAT1 ATOM 3812 H1 TIP3 611 9.780 -18.114 -1.545 0.00 0.00 WAT1 ATOM 3813 H2 TIP3 611 8.427 -17.877 -2.181 0.00 0.00 WAT1 ATOM 3814 OH2 TIP3 612 12.686 -13.943 -1.444 0.00 0.00 WAT1 ATOM 3815 H1 TIP3 612 12.172 -14.069 -0.647 0.00 0.00 WAT1 ATOM 3816 H2 TIP3 612 12.531 -13.031 -1.689 0.00 0.00 WAT1 ATOM 3817 OH2 TIP3 613 9.423 -11.643 0.640 0.00 0.00 WAT1 ATOM 3818 H1 TIP3 613 8.860 -12.347 0.960 0.00 0.00 WAT1 ATOM 3819 H2 TIP3 613 10.249 -11.763 1.107 0.00 0.00 WAT1 ATOM 3820 OH2 TIP3 614 11.772 -15.572 -5.315 0.00 0.00 WAT1 ATOM 3821 H1 TIP3 614 11.095 -15.441 -4.651 0.00 0.00 WAT1 ATOM 3822 H2 TIP3 614 11.286 -15.727 -6.125 0.00 0.00 WAT1 ATOM 3823 OH2 TIP3 615 10.359 -15.168 -3.061 0.00 0.00 WAT1 ATOM 3824 H1 TIP3 615 11.057 -15.094 -2.411 0.00 0.00 WAT1 ATOM 3825 H2 TIP3 615 9.978 -16.032 -2.906 0.00 0.00 WAT1 ATOM 3826 OH2 TIP3 616 15.083 -14.895 -1.109 0.00 0.00 WAT1 ATOM 3827 H1 TIP3 616 14.167 -14.632 -1.197 0.00 0.00 WAT1 ATOM 3828 H2 TIP3 616 15.419 -14.898 -2.006 0.00 0.00 WAT1 ATOM 3829 OH2 TIP3 617 10.192 -8.727 1.863 0.00 0.00 WAT1 ATOM 3830 H1 TIP3 617 11.145 -8.643 1.835 0.00 0.00 WAT1 ATOM 3831 H2 TIP3 617 10.032 -9.438 2.482 0.00 0.00 WAT1 ATOM 3832 OH2 TIP3 618 11.922 -12.219 2.428 0.00 0.00 WAT1 ATOM 3833 H1 TIP3 618 12.114 -13.150 2.317 0.00 0.00 WAT1 ATOM 3834 H2 TIP3 618 12.779 -11.794 2.418 0.00 0.00 WAT1 ATOM 3835 OH2 TIP3 619 13.238 -9.430 0.506 0.00 0.00 WAT1 ATOM 3836 H1 TIP3 619 12.957 -8.721 -0.072 0.00 0.00 WAT1 ATOM 3837 H2 TIP3 619 14.181 -9.503 0.355 0.00 0.00 WAT1 ATOM 3838 OH2 TIP3 620 7.994 -13.695 1.155 0.00 0.00 WAT1 ATOM 3839 H1 TIP3 620 7.758 -13.915 2.057 0.00 0.00 WAT1 ATOM 3840 H2 TIP3 620 7.211 -13.902 0.646 0.00 0.00 WAT1 ATOM 3841 OH2 TIP3 621 10.710 -14.568 0.231 0.00 0.00 WAT1 ATOM 3842 H1 TIP3 621 9.762 -14.536 0.363 0.00 0.00 WAT1 ATOM 3843 H2 TIP3 621 11.022 -15.193 0.885 0.00 0.00 WAT1 ATOM 3844 OH2 TIP3 622 6.952 -18.723 0.263 0.00 0.00 WAT1 ATOM 3845 H1 TIP3 622 7.664 -19.363 0.249 0.00 0.00 WAT1 ATOM 3846 H2 TIP3 622 6.851 -18.456 -0.651 0.00 0.00 WAT1 ATOM 3847 OH2 TIP3 623 7.305 -17.040 2.317 0.00 0.00 WAT1 ATOM 3848 H1 TIP3 623 7.174 -17.516 1.496 0.00 0.00 WAT1 ATOM 3849 H2 TIP3 623 6.706 -16.296 2.261 0.00 0.00 WAT1 ATOM 3850 OH2 TIP3 624 15.840 -9.080 -0.062 0.00 0.00 WAT1 ATOM 3851 H1 TIP3 624 16.423 -9.814 0.129 0.00 0.00 WAT1 ATOM 3852 H2 TIP3 624 16.404 -8.308 -0.016 0.00 0.00 WAT1 ATOM 3853 OH2 TIP3 625 17.337 -11.177 0.622 0.00 0.00 WAT1 ATOM 3854 H1 TIP3 625 16.474 -11.556 0.457 0.00 0.00 WAT1 ATOM 3855 H2 TIP3 625 17.941 -11.916 0.548 0.00 0.00 WAT1 ATOM 3856 OH2 TIP3 626 15.335 -12.149 -3.027 0.00 0.00 WAT1 ATOM 3857 H1 TIP3 626 14.492 -11.881 -2.661 0.00 0.00 WAT1 ATOM 3858 H2 TIP3 626 15.778 -11.327 -3.238 0.00 0.00 WAT1 ATOM 3859 OH2 TIP3 627 14.711 -18.414 -7.070 0.00 0.00 WAT1 ATOM 3860 H1 TIP3 627 15.315 -17.866 -7.571 0.00 0.00 WAT1 ATOM 3861 H2 TIP3 627 13.842 -18.094 -7.310 0.00 0.00 WAT1 ATOM 3862 OH2 TIP3 628 10.974 -8.731 9.454 0.00 0.00 WAT1 ATOM 3863 H1 TIP3 628 11.063 -7.787 9.322 0.00 0.00 WAT1 ATOM 3864 H2 TIP3 628 10.335 -9.006 8.796 0.00 0.00 WAT1 ATOM 3865 OH2 TIP3 629 9.907 -9.476 12.873 0.00 0.00 WAT1 ATOM 3866 H1 TIP3 629 9.869 -10.122 13.578 0.00 0.00 WAT1 ATOM 3867 H2 TIP3 629 9.584 -9.942 12.102 0.00 0.00 WAT1 ATOM 3868 OH2 TIP3 630 13.613 -6.537 11.175 0.00 0.00 WAT1 ATOM 3869 H1 TIP3 630 13.172 -7.257 11.625 0.00 0.00 WAT1 ATOM 3870 H2 TIP3 630 13.600 -5.816 11.805 0.00 0.00 WAT1 ATOM 3871 OH2 TIP3 631 11.437 -12.649 13.607 0.00 0.00 WAT1 ATOM 3872 H1 TIP3 631 11.580 -13.596 13.627 0.00 0.00 WAT1 ATOM 3873 H2 TIP3 631 11.331 -12.442 12.678 0.00 0.00 WAT1 ATOM 3874 OH2 TIP3 632 4.592 -14.548 10.879 0.00 0.00 WAT1 ATOM 3875 H1 TIP3 632 4.635 -13.688 10.461 0.00 0.00 WAT1 ATOM 3876 H2 TIP3 632 4.134 -15.100 10.246 0.00 0.00 WAT1 ATOM 3877 OH2 TIP3 633 6.368 -10.601 10.857 0.00 0.00 WAT1 ATOM 3878 H1 TIP3 633 6.984 -11.127 11.366 0.00 0.00 WAT1 ATOM 3879 H2 TIP3 633 5.782 -11.241 10.453 0.00 0.00 WAT1 ATOM 3880 OH2 TIP3 634 3.402 -15.630 14.953 0.00 0.00 WAT1 ATOM 3881 H1 TIP3 634 3.183 -15.100 14.187 0.00 0.00 WAT1 ATOM 3882 H2 TIP3 634 2.734 -15.403 15.601 0.00 0.00 WAT1 ATOM 3883 OH2 TIP3 635 2.996 -13.738 12.906 0.00 0.00 WAT1 ATOM 3884 H1 TIP3 635 3.609 -13.105 13.279 0.00 0.00 WAT1 ATOM 3885 H2 TIP3 635 3.508 -14.210 12.249 0.00 0.00 WAT1 ATOM 3886 OH2 TIP3 636 15.222 -6.449 17.134 0.00 0.00 WAT1 ATOM 3887 H1 TIP3 636 15.362 -7.040 16.395 0.00 0.00 WAT1 ATOM 3888 H2 TIP3 636 15.390 -5.576 16.778 0.00 0.00 WAT1 ATOM 3889 OH2 TIP3 637 9.695 -9.487 6.906 0.00 0.00 WAT1 ATOM 3890 H1 TIP3 637 8.983 -8.952 6.555 0.00 0.00 WAT1 ATOM 3891 H2 TIP3 637 10.386 -9.431 6.246 0.00 0.00 WAT1 ATOM 3892 OH2 TIP3 638 9.749 -11.029 3.945 0.00 0.00 WAT1 ATOM 3893 H1 TIP3 638 10.450 -11.007 4.596 0.00 0.00 WAT1 ATOM 3894 H2 TIP3 638 10.051 -11.657 3.289 0.00 0.00 WAT1 ATOM 3895 OH2 TIP3 639 17.064 -10.109 15.200 0.00 0.00 WAT1 ATOM 3896 H1 TIP3 639 16.412 -9.414 15.289 0.00 0.00 WAT1 ATOM 3897 H2 TIP3 639 17.529 -9.899 14.390 0.00 0.00 WAT1 ATOM 3898 OH2 TIP3 640 13.101 -9.277 7.858 0.00 0.00 WAT1 ATOM 3899 H1 TIP3 640 12.369 -9.049 8.431 0.00 0.00 WAT1 ATOM 3900 H2 TIP3 640 13.548 -9.991 8.313 0.00 0.00 WAT1 ATOM 3901 OH2 TIP3 641 11.972 -10.115 5.543 0.00 0.00 WAT1 ATOM 3902 H1 TIP3 641 12.551 -9.965 6.290 0.00 0.00 WAT1 ATOM 3903 H2 TIP3 641 12.386 -9.644 4.820 0.00 0.00 WAT1 ATOM 3904 OH2 TIP3 642 4.697 -17.421 13.184 0.00 0.00 WAT1 ATOM 3905 H1 TIP3 642 3.836 -17.508 12.776 0.00 0.00 WAT1 ATOM 3906 H2 TIP3 642 4.675 -16.565 13.611 0.00 0.00 WAT1 ATOM 3907 OH2 TIP3 643 13.449 -9.082 3.173 0.00 0.00 WAT1 ATOM 3908 H1 TIP3 643 13.491 -9.305 2.243 0.00 0.00 WAT1 ATOM 3909 H2 TIP3 643 14.298 -8.684 3.363 0.00 0.00 WAT1 ATOM 3910 OH2 TIP3 644 9.022 -15.206 3.843 0.00 0.00 WAT1 ATOM 3911 H1 TIP3 644 8.768 -15.187 4.766 0.00 0.00 WAT1 ATOM 3912 H2 TIP3 644 8.765 -16.078 3.542 0.00 0.00 WAT1 ATOM 3913 OH2 TIP3 645 4.788 -12.455 14.279 0.00 0.00 WAT1 ATOM 3914 H1 TIP3 645 4.146 -12.496 14.988 0.00 0.00 WAT1 ATOM 3915 H2 TIP3 645 4.825 -11.529 14.041 0.00 0.00 WAT1 ATOM 3916 OH2 TIP3 646 4.785 -12.234 9.191 0.00 0.00 WAT1 ATOM 3917 H1 TIP3 646 3.892 -12.575 9.132 0.00 0.00 WAT1 ATOM 3918 H2 TIP3 646 5.236 -12.611 8.435 0.00 0.00 WAT1 ATOM 3919 OH2 TIP3 647 9.423 -11.643 19.496 0.00 0.00 WAT1 ATOM 3920 H1 TIP3 647 8.860 -12.347 19.816 0.00 0.00 WAT1 ATOM 3921 H2 TIP3 647 10.249 -11.763 19.963 0.00 0.00 WAT1 ATOM 3922 OH2 TIP3 648 2.538 -12.135 16.146 0.00 0.00 WAT1 ATOM 3923 H1 TIP3 648 2.500 -11.735 17.014 0.00 0.00 WAT1 ATOM 3924 H2 TIP3 648 2.047 -12.952 16.236 0.00 0.00 WAT1 ATOM 3925 OH2 TIP3 649 5.904 -14.761 2.944 0.00 0.00 WAT1 ATOM 3926 H1 TIP3 649 5.473 -15.206 3.674 0.00 0.00 WAT1 ATOM 3927 H2 TIP3 649 5.186 -14.389 2.432 0.00 0.00 WAT1 ATOM 3928 OH2 TIP3 650 10.589 -10.734 15.493 0.00 0.00 WAT1 ATOM 3929 H1 TIP3 650 10.913 -11.365 14.850 0.00 0.00 WAT1 ATOM 3930 H2 TIP3 650 10.149 -11.269 16.154 0.00 0.00 WAT1 ATOM 3931 OH2 TIP3 651 5.848 -13.178 6.760 0.00 0.00 WAT1 ATOM 3932 H1 TIP3 651 6.780 -13.049 6.938 0.00 0.00 WAT1 ATOM 3933 H2 TIP3 651 5.633 -12.508 6.111 0.00 0.00 WAT1 ATOM 3934 OH2 TIP3 652 4.522 -11.983 4.327 0.00 0.00 WAT1 ATOM 3935 H1 TIP3 652 3.980 -12.363 3.636 0.00 0.00 WAT1 ATOM 3936 H2 TIP3 652 5.356 -11.789 3.898 0.00 0.00 WAT1 ATOM 3937 OH2 TIP3 653 8.687 -12.019 12.164 0.00 0.00 WAT1 ATOM 3938 H1 TIP3 653 9.251 -12.566 11.617 0.00 0.00 WAT1 ATOM 3939 H2 TIP3 653 8.539 -12.541 12.953 0.00 0.00 WAT1 ATOM 3940 OH2 TIP3 654 3.689 -15.883 8.582 0.00 0.00 WAT1 ATOM 3941 H1 TIP3 654 3.372 -16.785 8.547 0.00 0.00 WAT1 ATOM 3942 H2 TIP3 654 4.470 -15.881 8.030 0.00 0.00 WAT1 ATOM 3943 OH2 TIP3 655 7.313 -13.631 14.578 0.00 0.00 WAT1 ATOM 3944 H1 TIP3 655 6.478 -13.177 14.688 0.00 0.00 WAT1 ATOM 3945 H2 TIP3 655 7.837 -13.355 15.330 0.00 0.00 WAT1 ATOM 3946 OH2 TIP3 656 15.007 -8.285 15.049 0.00 0.00 WAT1 ATOM 3947 H1 TIP3 656 15.649 -7.828 14.506 0.00 0.00 WAT1 ATOM 3948 H2 TIP3 656 14.177 -8.172 14.587 0.00 0.00 WAT1 ATOM 3949 OH2 TIP3 657 7.007 -10.145 19.560 0.00 0.00 WAT1 ATOM 3950 H1 TIP3 657 6.711 -10.311 18.665 0.00 0.00 WAT1 ATOM 3951 H2 TIP3 657 7.938 -10.365 19.550 0.00 0.00 WAT1 ATOM 3952 OH2 TIP3 658 17.322 -6.727 18.654 0.00 0.00 WAT1 ATOM 3953 H1 TIP3 658 16.470 -6.489 18.287 0.00 0.00 WAT1 ATOM 3954 H2 TIP3 658 17.912 -6.744 17.901 0.00 0.00 WAT1 ATOM 3955 OH2 TIP3 659 12.814 -8.933 13.304 0.00 0.00 WAT1 ATOM 3956 H1 TIP3 659 11.886 -9.165 13.277 0.00 0.00 WAT1 ATOM 3957 H2 TIP3 659 13.265 -9.710 12.974 0.00 0.00 WAT1 ATOM 3958 OH2 TIP3 660 1.624 -14.909 16.905 0.00 0.00 WAT1 ATOM 3959 H1 TIP3 660 0.731 -14.570 16.838 0.00 0.00 WAT1 ATOM 3960 H2 TIP3 660 1.525 -15.764 17.323 0.00 0.00 WAT1 ATOM 3961 OH2 TIP3 661 8.879 -12.802 16.912 0.00 0.00 WAT1 ATOM 3962 H1 TIP3 661 8.998 -12.228 17.669 0.00 0.00 WAT1 ATOM 3963 H2 TIP3 661 9.534 -13.490 17.027 0.00 0.00 WAT1 ATOM 3964 OH2 TIP3 662 4.884 -15.644 5.353 0.00 0.00 WAT1 ATOM 3965 H1 TIP3 662 4.801 -14.755 5.699 0.00 0.00 WAT1 ATOM 3966 H2 TIP3 662 5.774 -15.909 5.584 0.00 0.00 WAT1 ATOM 3967 OH2 TIP3 663 2.267 -17.770 12.202 0.00 0.00 WAT1 ATOM 3968 H1 TIP3 663 2.038 -17.711 11.275 0.00 0.00 WAT1 ATOM 3969 H2 TIP3 663 1.824 -18.562 12.509 0.00 0.00 WAT1 ATOM 3970 OH2 TIP3 664 12.783 -7.521 17.463 0.00 0.00 WAT1 ATOM 3971 H1 TIP3 664 13.528 -6.933 17.343 0.00 0.00 WAT1 ATOM 3972 H2 TIP3 664 12.026 -6.939 17.526 0.00 0.00 WAT1 ATOM 3973 OH2 TIP3 665 5.172 -11.198 17.441 0.00 0.00 WAT1 ATOM 3974 H1 TIP3 665 4.554 -10.523 17.722 0.00 0.00 WAT1 ATOM 3975 H2 TIP3 665 5.516 -10.877 16.608 0.00 0.00 WAT1 ATOM 3976 OH2 TIP3 666 6.954 -10.848 3.348 0.00 0.00 WAT1 ATOM 3977 H1 TIP3 666 6.774 -11.002 2.420 0.00 0.00 WAT1 ATOM 3978 H2 TIP3 666 7.905 -10.740 3.392 0.00 0.00 WAT1 ATOM 3979 OH2 TIP3 667 10.192 -8.727 20.719 0.00 0.00 WAT1 ATOM 3980 H1 TIP3 667 11.145 -8.643 20.691 0.00 0.00 WAT1 ATOM 3981 H2 TIP3 667 10.032 -9.438 21.338 0.00 0.00 WAT1 ATOM 3982 OH2 TIP3 668 16.344 -8.493 2.793 0.00 0.00 WAT1 ATOM 3983 H1 TIP3 668 16.071 -8.918 1.980 0.00 0.00 WAT1 ATOM 3984 H2 TIP3 668 16.384 -7.562 2.576 0.00 0.00 WAT1 ATOM 3985 OH2 TIP3 669 5.512 -13.843 18.524 0.00 0.00 WAT1 ATOM 3986 H1 TIP3 669 5.662 -14.572 17.921 0.00 0.00 WAT1 ATOM 3987 H2 TIP3 669 5.514 -13.066 17.965 0.00 0.00 WAT1 ATOM 3988 OH2 TIP3 670 7.506 -10.034 16.256 0.00 0.00 WAT1 ATOM 3989 H1 TIP3 670 8.257 -10.190 15.683 0.00 0.00 WAT1 ATOM 3990 H2 TIP3 670 7.167 -9.182 15.980 0.00 0.00 WAT1 ATOM 3991 OH2 TIP3 671 13.238 -9.430 19.362 0.00 0.00 WAT1 ATOM 3992 H1 TIP3 671 12.957 -8.721 18.784 0.00 0.00 WAT1 ATOM 3993 H2 TIP3 671 14.181 -9.503 19.211 0.00 0.00 WAT1 ATOM 3994 OH2 TIP3 672 3.990 -12.645 20.435 0.00 0.00 WAT1 ATOM 3995 H1 TIP3 672 3.223 -13.177 20.225 0.00 0.00 WAT1 ATOM 3996 H2 TIP3 672 4.669 -12.955 19.836 0.00 0.00 WAT1 ATOM 3997 OH2 TIP3 673 2.171 -14.724 20.140 0.00 0.00 WAT1 ATOM 3998 H1 TIP3 673 2.382 -15.431 19.529 0.00 0.00 WAT1 ATOM 3999 H2 TIP3 673 2.059 -15.162 20.984 0.00 0.00 WAT1 ATOM 4000 OH2 TIP3 674 15.502 -5.881 21.254 0.00 0.00 WAT1 ATOM 4001 H1 TIP3 674 14.636 -5.986 21.648 0.00 0.00 WAT1 ATOM 4002 H2 TIP3 674 15.878 -5.122 21.701 0.00 0.00 WAT1 ATOM 4003 OH2 TIP3 675 16.803 -7.624 6.768 0.00 0.00 WAT1 ATOM 4004 H1 TIP3 675 17.653 -7.203 6.896 0.00 0.00 WAT1 ATOM 4005 H2 TIP3 675 16.808 -8.364 7.376 0.00 0.00 WAT1 ATOM 4006 OH2 TIP3 676 17.197 -9.571 8.592 0.00 0.00 WAT1 ATOM 4007 H1 TIP3 676 16.471 -10.050 8.990 0.00 0.00 WAT1 ATOM 4008 H2 TIP3 676 17.778 -9.365 9.324 0.00 0.00 WAT1 ATOM 4009 OH2 TIP3 677 17.465 -9.670 4.983 0.00 0.00 WAT1 ATOM 4010 H1 TIP3 677 16.944 -9.313 4.264 0.00 0.00 WAT1 ATOM 4011 H2 TIP3 677 17.432 -8.995 5.661 0.00 0.00 WAT1 ATOM 4012 OH2 TIP3 678 15.840 -9.080 18.794 0.00 0.00 WAT1 ATOM 4013 H1 TIP3 678 16.423 -9.814 18.985 0.00 0.00 WAT1 ATOM 4014 H2 TIP3 678 16.404 -8.308 18.840 0.00 0.00 WAT1 ATOM 4015 OH2 TIP3 679 -0.383 -13.701 19.306 0.00 0.00 WAT1 ATOM 4016 H1 TIP3 679 0.536 -13.823 19.542 0.00 0.00 WAT1 ATOM 4017 H2 TIP3 679 -0.833 -14.451 19.695 0.00 0.00 WAT1 ATOM 4018 OH2 TIP3 680 0.838 -15.389 12.197 0.00 0.00 WAT1 ATOM 4019 H1 TIP3 680 1.283 -16.181 12.499 0.00 0.00 WAT1 ATOM 4020 H2 TIP3 680 1.304 -14.673 12.628 0.00 0.00 WAT1 ATOM 4021 OH2 TIP3 681 -0.581 -17.394 15.665 0.00 0.00 WAT1 ATOM 4022 H1 TIP3 681 -1.246 -17.640 16.308 0.00 0.00 WAT1 ATOM 4023 H2 TIP3 681 -1.024 -16.772 15.088 0.00 0.00 WAT1 ATOM 4024 OH2 TIP3 682 1.895 -17.887 9.496 0.00 0.00 WAT1 ATOM 4025 H1 TIP3 682 1.118 -18.121 8.988 0.00 0.00 WAT1 ATOM 4026 H2 TIP3 682 2.426 -18.684 9.504 0.00 0.00 WAT1 ATOM 4027 OH2 TIP3 683 10.974 -8.731 28.310 0.00 0.00 WAT1 ATOM 4028 H1 TIP3 683 11.063 -7.787 28.178 0.00 0.00 WAT1 ATOM 4029 H2 TIP3 683 10.335 -9.006 27.652 0.00 0.00 WAT1 ATOM 4030 OH2 TIP3 684 9.907 -9.476 31.729 0.00 0.00 WAT1 ATOM 4031 H1 TIP3 684 9.869 -10.122 32.434 0.00 0.00 WAT1 ATOM 4032 H2 TIP3 684 9.584 -9.942 30.958 0.00 0.00 WAT1 ATOM 4033 OH2 TIP3 685 2.275 -9.861 33.322 0.00 0.00 WAT1 ATOM 4034 H1 TIP3 685 2.317 -10.487 34.046 0.00 0.00 WAT1 ATOM 4035 H2 TIP3 685 2.978 -9.238 33.504 0.00 0.00 WAT1 ATOM 4036 OH2 TIP3 686 13.613 -6.537 30.031 0.00 0.00 WAT1 ATOM 4037 H1 TIP3 686 13.172 -7.257 30.481 0.00 0.00 WAT1 ATOM 4038 H2 TIP3 686 13.600 -5.816 30.661 0.00 0.00 WAT1 ATOM 4039 OH2 TIP3 687 -0.191 -11.751 27.250 0.00 0.00 WAT1 ATOM 4040 H1 TIP3 687 -0.639 -10.905 27.232 0.00 0.00 WAT1 ATOM 4041 H2 TIP3 687 -0.752 -12.331 26.735 0.00 0.00 WAT1 ATOM 4042 OH2 TIP3 688 0.519 -9.589 29.376 0.00 0.00 WAT1 ATOM 4043 H1 TIP3 688 0.733 -10.359 29.903 0.00 0.00 WAT1 ATOM 4044 H2 TIP3 688 1.257 -9.500 28.773 0.00 0.00 WAT1 ATOM 4045 OH2 TIP3 689 1.212 -12.151 30.497 0.00 0.00 WAT1 ATOM 4046 H1 TIP3 689 1.866 -12.701 30.929 0.00 0.00 WAT1 ATOM 4047 H2 TIP3 689 1.236 -12.425 29.581 0.00 0.00 WAT1 ATOM 4048 OH2 TIP3 690 6.368 -10.601 29.713 0.00 0.00 WAT1 ATOM 4049 H1 TIP3 690 6.984 -11.127 30.222 0.00 0.00 WAT1 ATOM 4050 H2 TIP3 690 5.782 -11.241 29.309 0.00 0.00 WAT1 ATOM 4051 OH2 TIP3 691 9.695 -9.487 25.762 0.00 0.00 WAT1 ATOM 4052 H1 TIP3 691 8.983 -8.952 25.411 0.00 0.00 WAT1 ATOM 4053 H2 TIP3 691 10.386 -9.431 25.102 0.00 0.00 WAT1 ATOM 4054 OH2 TIP3 692 17.064 -10.109 34.056 0.00 0.00 WAT1 ATOM 4055 H1 TIP3 692 16.412 -9.414 34.145 0.00 0.00 WAT1 ATOM 4056 H2 TIP3 692 17.529 -9.899 33.246 0.00 0.00 WAT1 ATOM 4057 OH2 TIP3 693 13.101 -9.277 26.714 0.00 0.00 WAT1 ATOM 4058 H1 TIP3 693 12.369 -9.049 27.287 0.00 0.00 WAT1 ATOM 4059 H2 TIP3 693 13.548 -9.991 27.169 0.00 0.00 WAT1 ATOM 4060 OH2 TIP3 694 12.998 -11.103 35.782 0.00 0.00 WAT1 ATOM 4061 H1 TIP3 694 13.078 -10.340 36.354 0.00 0.00 WAT1 ATOM 4062 H2 TIP3 694 12.397 -10.824 35.091 0.00 0.00 WAT1 ATOM 4063 OH2 TIP3 695 4.746 -8.647 28.597 0.00 0.00 WAT1 ATOM 4064 H1 TIP3 695 4.416 -9.017 27.778 0.00 0.00 WAT1 ATOM 4065 H2 TIP3 695 5.334 -9.317 28.943 0.00 0.00 WAT1 ATOM 4066 OH2 TIP3 696 5.113 -9.878 32.230 0.00 0.00 WAT1 ATOM 4067 H1 TIP3 696 5.678 -9.757 31.467 0.00 0.00 WAT1 ATOM 4068 H2 TIP3 696 5.432 -9.241 32.869 0.00 0.00 WAT1 ATOM 4069 OH2 TIP3 697 11.972 -10.115 24.399 0.00 0.00 WAT1 ATOM 4070 H1 TIP3 697 12.551 -9.965 25.146 0.00 0.00 WAT1 ATOM 4071 H2 TIP3 697 12.386 -9.644 23.676 0.00 0.00 WAT1 ATOM 4072 OH2 TIP3 698 3.736 -9.577 26.186 0.00 0.00 WAT1 ATOM 4073 H1 TIP3 698 3.444 -8.809 25.695 0.00 0.00 WAT1 ATOM 4074 H2 TIP3 698 3.062 -10.237 26.023 0.00 0.00 WAT1 ATOM 4075 OH2 TIP3 699 16.860 -3.999 22.589 0.00 0.00 WAT1 ATOM 4076 H1 TIP3 699 16.933 -3.060 22.759 0.00 0.00 WAT1 ATOM 4077 H2 TIP3 699 17.765 -4.304 22.532 0.00 0.00 WAT1 ATOM 4078 OH2 TIP3 700 14.929 -12.275 38.047 0.00 0.00 WAT1 ATOM 4079 H1 TIP3 700 14.522 -11.794 37.327 0.00 0.00 WAT1 ATOM 4080 H2 TIP3 700 14.970 -13.180 37.740 0.00 0.00 WAT1 ATOM 4081 OH2 TIP3 701 12.686 -13.943 36.268 0.00 0.00 WAT1 ATOM 4082 H1 TIP3 701 12.172 -14.069 37.065 0.00 0.00 WAT1 ATOM 4083 H2 TIP3 701 12.531 -13.031 36.023 0.00 0.00 WAT1 ATOM 4084 OH2 TIP3 702 13.449 -9.082 22.029 0.00 0.00 WAT1 ATOM 4085 H1 TIP3 702 13.491 -9.305 21.099 0.00 0.00 WAT1 ATOM 4086 H2 TIP3 702 14.298 -8.684 22.219 0.00 0.00 WAT1 ATOM 4087 OH2 TIP3 703 4.788 -12.455 33.135 0.00 0.00 WAT1 ATOM 4088 H1 TIP3 703 4.146 -12.496 33.844 0.00 0.00 WAT1 ATOM 4089 H2 TIP3 703 4.825 -11.529 32.897 0.00 0.00 WAT1 ATOM 4090 OH2 TIP3 704 2.538 -12.135 35.002 0.00 0.00 WAT1 ATOM 4091 H1 TIP3 704 2.500 -11.735 35.870 0.00 0.00 WAT1 ATOM 4092 H2 TIP3 704 2.047 -12.952 35.092 0.00 0.00 WAT1 ATOM 4093 OH2 TIP3 705 5.904 -14.761 21.800 0.00 0.00 WAT1 ATOM 4094 H1 TIP3 705 5.473 -15.206 22.530 0.00 0.00 WAT1 ATOM 4095 H2 TIP3 705 5.186 -14.389 21.288 0.00 0.00 WAT1 ATOM 4096 OH2 TIP3 706 -0.854 -15.019 28.852 0.00 0.00 WAT1 ATOM 4097 H1 TIP3 706 -0.223 -15.048 29.572 0.00 0.00 WAT1 ATOM 4098 H2 TIP3 706 -0.404 -15.444 28.122 0.00 0.00 WAT1 ATOM 4099 OH2 TIP3 707 0.421 -14.273 24.276 0.00 0.00 WAT1 ATOM 4100 H1 TIP3 707 0.895 -13.682 23.691 0.00 0.00 WAT1 ATOM 4101 H2 TIP3 707 -0.297 -13.742 24.623 0.00 0.00 WAT1 ATOM 4102 OH2 TIP3 708 10.589 -10.734 34.349 0.00 0.00 WAT1 ATOM 4103 H1 TIP3 708 10.913 -11.365 33.706 0.00 0.00 WAT1 ATOM 4104 H2 TIP3 708 10.149 -11.269 35.010 0.00 0.00 WAT1 ATOM 4105 OH2 TIP3 709 4.522 -11.983 23.183 0.00 0.00 WAT1 ATOM 4106 H1 TIP3 709 3.980 -12.363 22.492 0.00 0.00 WAT1 ATOM 4107 H2 TIP3 709 5.356 -11.789 22.754 0.00 0.00 WAT1 ATOM 4108 OH2 TIP3 710 8.687 -12.019 31.020 0.00 0.00 WAT1 ATOM 4109 H1 TIP3 710 9.251 -12.566 30.473 0.00 0.00 WAT1 ATOM 4110 H2 TIP3 710 8.539 -12.541 31.809 0.00 0.00 WAT1 ATOM 4111 OH2 TIP3 711 7.857 -7.418 25.119 0.00 0.00 WAT1 ATOM 4112 H1 TIP3 711 7.113 -7.925 24.796 0.00 0.00 WAT1 ATOM 4113 H2 TIP3 711 7.723 -7.369 26.065 0.00 0.00 WAT1 ATOM 4114 OH2 TIP3 712 15.007 -8.285 33.905 0.00 0.00 WAT1 ATOM 4115 H1 TIP3 712 15.649 -7.828 33.362 0.00 0.00 WAT1 ATOM 4116 H2 TIP3 712 14.177 -8.172 33.443 0.00 0.00 WAT1 ATOM 4117 OH2 TIP3 713 2.982 -8.123 30.888 0.00 0.00 WAT1 ATOM 4118 H1 TIP3 713 3.727 -8.125 30.287 0.00 0.00 WAT1 ATOM 4119 H2 TIP3 713 3.060 -8.947 31.370 0.00 0.00 WAT1 ATOM 4120 OH2 TIP3 714 12.814 -8.933 32.160 0.00 0.00 WAT1 ATOM 4121 H1 TIP3 714 11.886 -9.165 32.133 0.00 0.00 WAT1 ATOM 4122 H2 TIP3 714 13.265 -9.710 31.830 0.00 0.00 WAT1 ATOM 4123 OH2 TIP3 715 1.112 -9.743 22.880 0.00 0.00 WAT1 ATOM 4124 H1 TIP3 715 1.728 -9.116 23.259 0.00 0.00 WAT1 ATOM 4125 H2 TIP3 715 0.250 -9.427 23.151 0.00 0.00 WAT1 ATOM 4126 OH2 TIP3 716 6.784 -6.942 27.869 0.00 0.00 WAT1 ATOM 4127 H1 TIP3 716 6.543 -6.017 27.911 0.00 0.00 WAT1 ATOM 4128 H2 TIP3 716 6.044 -7.401 28.265 0.00 0.00 WAT1 ATOM 4129 OH2 TIP3 717 1.624 -14.909 35.761 0.00 0.00 WAT1 ATOM 4130 H1 TIP3 717 0.731 -14.570 35.694 0.00 0.00 WAT1 ATOM 4131 H2 TIP3 717 1.525 -15.764 36.179 0.00 0.00 WAT1 ATOM 4132 OH2 TIP3 718 13.912 -7.092 25.185 0.00 0.00 WAT1 ATOM 4133 H1 TIP3 718 13.635 -7.820 25.741 0.00 0.00 WAT1 ATOM 4134 H2 TIP3 718 14.839 -6.973 25.391 0.00 0.00 WAT1 ATOM 4135 OH2 TIP3 719 2.527 -7.830 24.372 0.00 0.00 WAT1 ATOM 4136 H1 TIP3 719 1.841 -7.478 24.939 0.00 0.00 WAT1 ATOM 4137 H2 TIP3 719 3.050 -7.067 24.126 0.00 0.00 WAT1 ATOM 4138 OH2 TIP3 720 10.359 -15.168 34.651 0.00 0.00 WAT1 ATOM 4139 H1 TIP3 720 11.057 -15.094 35.301 0.00 0.00 WAT1 ATOM 4140 H2 TIP3 720 9.978 -16.032 34.806 0.00 0.00 WAT1 ATOM 4141 OH2 TIP3 721 8.879 -12.802 35.768 0.00 0.00 WAT1 ATOM 4142 H1 TIP3 721 8.998 -12.228 36.525 0.00 0.00 WAT1 ATOM 4143 H2 TIP3 721 9.534 -13.490 35.883 0.00 0.00 WAT1 ATOM 4144 OH2 TIP3 722 15.083 -14.895 36.603 0.00 0.00 WAT1 ATOM 4145 H1 TIP3 722 14.167 -14.632 36.515 0.00 0.00 WAT1 ATOM 4146 H2 TIP3 722 15.419 -14.898 35.706 0.00 0.00 WAT1 ATOM 4147 OH2 TIP3 723 1.459 -12.552 22.385 0.00 0.00 WAT1 ATOM 4148 H1 TIP3 723 1.414 -11.613 22.564 0.00 0.00 WAT1 ATOM 4149 H2 TIP3 723 0.571 -12.788 22.115 0.00 0.00 WAT1 ATOM 4150 OH2 TIP3 724 5.883 -9.091 23.941 0.00 0.00 WAT1 ATOM 4151 H1 TIP3 724 5.424 -9.575 24.627 0.00 0.00 WAT1 ATOM 4152 H2 TIP3 724 6.138 -9.759 23.305 0.00 0.00 WAT1 ATOM 4153 OH2 TIP3 725 5.172 -11.198 36.297 0.00 0.00 WAT1 ATOM 4154 H1 TIP3 725 4.554 -10.523 36.578 0.00 0.00 WAT1 ATOM 4155 H2 TIP3 725 5.516 -10.877 35.464 0.00 0.00 WAT1 ATOM 4156 OH2 TIP3 726 6.954 -10.848 22.204 0.00 0.00 WAT1 ATOM 4157 H1 TIP3 726 6.774 -11.002 21.276 0.00 0.00 WAT1 ATOM 4158 H2 TIP3 726 7.905 -10.740 22.248 0.00 0.00 WAT1 ATOM 4159 OH2 TIP3 727 16.344 -8.493 21.649 0.00 0.00 WAT1 ATOM 4160 H1 TIP3 727 16.071 -8.918 20.836 0.00 0.00 WAT1 ATOM 4161 H2 TIP3 727 16.384 -7.562 21.432 0.00 0.00 WAT1 ATOM 4162 OH2 TIP3 728 5.512 -13.843 37.380 0.00 0.00 WAT1 ATOM 4163 H1 TIP3 728 5.662 -14.572 36.777 0.00 0.00 WAT1 ATOM 4164 H2 TIP3 728 5.514 -13.066 36.821 0.00 0.00 WAT1 ATOM 4165 OH2 TIP3 729 7.506 -10.034 35.112 0.00 0.00 WAT1 ATOM 4166 H1 TIP3 729 8.257 -10.190 34.539 0.00 0.00 WAT1 ATOM 4167 H2 TIP3 729 7.167 -9.182 34.836 0.00 0.00 WAT1 ATOM 4168 OH2 TIP3 730 7.994 -13.695 38.867 0.00 0.00 WAT1 ATOM 4169 H1 TIP3 730 7.758 -13.915 39.769 0.00 0.00 WAT1 ATOM 4170 H2 TIP3 730 7.211 -13.902 38.358 0.00 0.00 WAT1 ATOM 4171 OH2 TIP3 731 10.710 -14.568 37.943 0.00 0.00 WAT1 ATOM 4172 H1 TIP3 731 9.762 -14.536 38.075 0.00 0.00 WAT1 ATOM 4173 H2 TIP3 731 11.022 -15.193 38.597 0.00 0.00 WAT1 ATOM 4174 OH2 TIP3 732 12.344 -15.934 39.948 0.00 0.00 WAT1 ATOM 4175 H1 TIP3 732 12.247 -16.886 39.942 0.00 0.00 WAT1 ATOM 4176 H2 TIP3 732 12.022 -15.665 40.809 0.00 0.00 WAT1 ATOM 4177 OH2 TIP3 733 2.171 -14.724 38.996 0.00 0.00 WAT1 ATOM 4178 H1 TIP3 733 2.382 -15.431 38.385 0.00 0.00 WAT1 ATOM 4179 H2 TIP3 733 2.059 -15.162 39.840 0.00 0.00 WAT1 ATOM 4180 OH2 TIP3 734 7.305 -17.040 40.029 0.00 0.00 WAT1 ATOM 4181 H1 TIP3 734 7.174 -17.516 39.208 0.00 0.00 WAT1 ATOM 4182 H2 TIP3 734 6.706 -16.296 39.973 0.00 0.00 WAT1 ATOM 4183 OH2 TIP3 735 16.803 -7.624 25.624 0.00 0.00 WAT1 ATOM 4184 H1 TIP3 735 17.653 -7.203 25.752 0.00 0.00 WAT1 ATOM 4185 H2 TIP3 735 16.808 -8.364 26.232 0.00 0.00 WAT1 ATOM 4186 OH2 TIP3 736 17.197 -9.571 27.448 0.00 0.00 WAT1 ATOM 4187 H1 TIP3 736 16.471 -10.050 27.846 0.00 0.00 WAT1 ATOM 4188 H2 TIP3 736 17.778 -9.365 28.180 0.00 0.00 WAT1 ATOM 4189 OH2 TIP3 737 16.956 -6.786 32.396 0.00 0.00 WAT1 ATOM 4190 H1 TIP3 737 17.790 -7.164 32.115 0.00 0.00 WAT1 ATOM 4191 H2 TIP3 737 17.068 -5.843 32.277 0.00 0.00 WAT1 ATOM 4192 OH2 TIP3 738 17.465 -9.670 23.839 0.00 0.00 WAT1 ATOM 4193 H1 TIP3 738 16.944 -9.313 23.120 0.00 0.00 WAT1 ATOM 4194 H2 TIP3 738 17.432 -8.995 24.517 0.00 0.00 WAT1 ATOM 4195 OH2 TIP3 739 14.984 -11.050 28.011 0.00 0.00 WAT1 ATOM 4196 H1 TIP3 739 14.834 -11.995 27.991 0.00 0.00 WAT1 ATOM 4197 H2 TIP3 739 14.630 -10.769 28.855 0.00 0.00 WAT1 ATOM 4198 OH2 TIP3 740 0.019 -8.972 32.021 0.00 0.00 WAT1 ATOM 4199 H1 TIP3 740 0.203 -9.054 31.086 0.00 0.00 WAT1 ATOM 4200 H2 TIP3 740 0.868 -9.096 32.445 0.00 0.00 WAT1 ATOM 4201 OH2 TIP3 741 15.840 -9.080 37.650 0.00 0.00 WAT1 ATOM 4202 H1 TIP3 741 16.423 -9.814 37.841 0.00 0.00 WAT1 ATOM 4203 H2 TIP3 741 16.404 -8.308 37.696 0.00 0.00 WAT1 ATOM 4204 OH2 TIP3 742 17.337 -11.177 38.334 0.00 0.00 WAT1 ATOM 4205 H1 TIP3 742 16.474 -11.556 38.169 0.00 0.00 WAT1 ATOM 4206 H2 TIP3 742 17.941 -11.916 38.260 0.00 0.00 WAT1 ATOM 4207 OH2 TIP3 743 -0.383 -13.701 38.162 0.00 0.00 WAT1 ATOM 4208 H1 TIP3 743 0.536 -13.823 38.398 0.00 0.00 WAT1 ATOM 4209 H2 TIP3 743 -0.833 -14.451 38.551 0.00 0.00 WAT1 ATOM 4210 OH2 TIP3 744 -0.858 -12.390 32.122 0.00 0.00 WAT1 ATOM 4211 H1 TIP3 744 -0.366 -12.611 31.332 0.00 0.00 WAT1 ATOM 4212 H2 TIP3 744 -0.496 -11.549 32.403 0.00 0.00 WAT1 ATOM 4213 OH2 TIP3 745 1.853 -17.373 37.869 0.00 0.00 WAT1 ATOM 4214 H1 TIP3 745 1.487 -18.138 38.312 0.00 0.00 WAT1 ATOM 4215 H2 TIP3 745 2.766 -17.344 38.156 0.00 0.00 WAT1 ATOM 4216 OH2 TIP3 746 3.826 -18.022 39.405 0.00 0.00 WAT1 ATOM 4217 H1 TIP3 746 4.725 -18.296 39.220 0.00 0.00 WAT1 ATOM 4218 H2 TIP3 746 3.440 -18.765 39.869 0.00 0.00 WAT1 ATOM 4219 OH2 TIP3 747 12.248 -18.690 39.587 0.00 0.00 WAT1 ATOM 4220 H1 TIP3 747 12.324 -19.116 40.441 0.00 0.00 WAT1 ATOM 4221 H2 TIP3 747 13.141 -18.676 39.245 0.00 0.00 WAT1 ATOM 4222 OH2 TIP3 748 15.670 -18.365 43.068 0.00 0.00 WAT1 ATOM 4223 H1 TIP3 748 14.771 -18.226 43.363 0.00 0.00 WAT1 ATOM 4224 H2 TIP3 748 15.922 -17.534 42.666 0.00 0.00 WAT1 ATOM 4225 OH2 TIP3 749 15.814 -12.430 41.246 0.00 0.00 WAT1 ATOM 4226 H1 TIP3 749 15.911 -11.763 40.566 0.00 0.00 WAT1 ATOM 4227 H2 TIP3 749 15.674 -13.246 40.764 0.00 0.00 WAT1 ATOM 4228 OH2 TIP3 750 15.062 -15.022 40.363 0.00 0.00 WAT1 ATOM 4229 H1 TIP3 750 15.672 -15.394 41.000 0.00 0.00 WAT1 ATOM 4230 H2 TIP3 750 14.225 -15.444 40.559 0.00 0.00 WAT1 ATOM 4231 OH2 TIP3 751 17.174 -16.137 41.906 0.00 0.00 WAT1 ATOM 4232 H1 TIP3 751 17.587 -16.858 41.430 0.00 0.00 WAT1 ATOM 4233 H2 TIP3 751 17.856 -15.467 41.964 0.00 0.00 WAT1 ATOM 4234 OH2 TIP3 752 21.131 -47.573 14.466 0.00 0.00 WAT1 ATOM 4235 H1 TIP3 752 21.173 -48.199 15.190 0.00 0.00 WAT1 ATOM 4236 H2 TIP3 752 21.834 -46.950 14.648 0.00 0.00 WAT1 ATOM 4237 OH2 TIP3 753 22.055 -43.123 13.001 0.00 0.00 WAT1 ATOM 4238 H1 TIP3 753 21.685 -43.925 12.632 0.00 0.00 WAT1 ATOM 4239 H2 TIP3 753 22.996 -43.292 13.048 0.00 0.00 WAT1 ATOM 4240 OH2 TIP3 754 24.827 -45.666 15.241 0.00 0.00 WAT1 ATOM 4241 H1 TIP3 754 24.087 -45.068 15.344 0.00 0.00 WAT1 ATOM 4242 H2 TIP3 754 25.541 -45.112 14.925 0.00 0.00 WAT1 ATOM 4243 OH2 TIP3 755 23.235 -43.702 16.028 0.00 0.00 WAT1 ATOM 4244 H1 TIP3 755 23.229 -42.823 15.650 0.00 0.00 WAT1 ATOM 4245 H2 TIP3 755 22.381 -43.785 16.453 0.00 0.00 WAT1 ATOM 4246 OH2 TIP3 756 24.969 -42.931 12.422 0.00 0.00 WAT1 ATOM 4247 H1 TIP3 756 24.874 -43.509 11.665 0.00 0.00 WAT1 ATOM 4248 H2 TIP3 756 25.698 -43.302 12.918 0.00 0.00 WAT1 ATOM 4249 OH2 TIP3 757 24.849 -43.191 18.091 0.00 0.00 WAT1 ATOM 4250 H1 TIP3 757 24.537 -42.409 18.547 0.00 0.00 WAT1 ATOM 4251 H2 TIP3 757 24.199 -43.344 17.405 0.00 0.00 WAT1 ATOM 4252 OH2 TIP3 758 21.769 -46.993 17.320 0.00 0.00 WAT1 ATOM 4253 H1 TIP3 758 21.839 -46.342 18.018 0.00 0.00 WAT1 ATOM 4254 H2 TIP3 758 20.878 -46.890 16.985 0.00 0.00 WAT1 ATOM 4255 OH2 TIP3 759 18.685 -44.926 16.145 0.00 0.00 WAT1 ATOM 4256 H1 TIP3 759 18.184 -44.954 15.330 0.00 0.00 WAT1 ATOM 4257 H2 TIP3 759 18.691 -45.832 16.455 0.00 0.00 WAT1 ATOM 4258 OH2 TIP3 760 18.436 -42.146 13.029 0.00 0.00 WAT1 ATOM 4259 H1 TIP3 760 19.382 -42.290 13.010 0.00 0.00 WAT1 ATOM 4260 H2 TIP3 760 18.323 -41.362 13.566 0.00 0.00 WAT1 ATOM 4261 OH2 TIP3 761 27.612 -41.906 17.587 0.00 0.00 WAT1 ATOM 4262 H1 TIP3 761 27.699 -41.080 18.062 0.00 0.00 WAT1 ATOM 4263 H2 TIP3 761 26.748 -42.236 17.836 0.00 0.00 WAT1 ATOM 4264 OH2 TIP3 762 21.680 -39.345 9.174 0.00 0.00 WAT1 ATOM 4265 H1 TIP3 762 21.832 -39.693 10.053 0.00 0.00 WAT1 ATOM 4266 H2 TIP3 762 20.829 -39.701 8.919 0.00 0.00 WAT1 ATOM 4267 OH2 TIP3 763 21.513 -45.138 19.426 0.00 0.00 WAT1 ATOM 4268 H1 TIP3 763 22.246 -44.884 19.987 0.00 0.00 WAT1 ATOM 4269 H2 TIP3 763 20.733 -44.934 19.941 0.00 0.00 WAT1 ATOM 4270 OH2 TIP3 764 28.233 -44.946 17.500 0.00 0.00 WAT1 ATOM 4271 H1 TIP3 764 27.887 -45.327 18.306 0.00 0.00 WAT1 ATOM 4272 H2 TIP3 764 28.033 -44.012 17.571 0.00 0.00 WAT1 ATOM 4273 OH2 TIP3 765 21.838 -45.835 12.032 0.00 0.00 WAT1 ATOM 4274 H1 TIP3 765 22.583 -45.837 11.431 0.00 0.00 WAT1 ATOM 4275 H2 TIP3 765 21.916 -46.659 12.514 0.00 0.00 WAT1 ATOM 4276 OH2 TIP3 766 18.846 -47.374 17.347 0.00 0.00 WAT1 ATOM 4277 H1 TIP3 766 19.069 -47.792 18.179 0.00 0.00 WAT1 ATOM 4278 H2 TIP3 766 18.244 -47.987 16.925 0.00 0.00 WAT1 ATOM 4279 OH2 TIP3 767 26.155 -40.505 15.328 0.00 0.00 WAT1 ATOM 4280 H1 TIP3 767 26.518 -39.650 15.095 0.00 0.00 WAT1 ATOM 4281 H2 TIP3 767 26.687 -40.797 16.069 0.00 0.00 WAT1 ATOM 4282 OH2 TIP3 768 20.053 -41.542 8.363 0.00 0.00 WAT1 ATOM 4283 H1 TIP3 768 19.221 -41.069 8.390 0.00 0.00 WAT1 ATOM 4284 H2 TIP3 768 20.599 -41.032 7.764 0.00 0.00 WAT1 ATOM 4285 OH2 TIP3 769 30.516 -41.630 20.042 0.00 0.00 WAT1 ATOM 4286 H1 TIP3 769 30.165 -42.486 20.285 0.00 0.00 WAT1 ATOM 4287 H2 TIP3 769 31.242 -41.487 20.649 0.00 0.00 WAT1 ATOM 4288 OH2 TIP3 770 19.249 -45.119 20.647 0.00 0.00 WAT1 ATOM 4289 H1 TIP3 770 19.393 -46.021 20.361 0.00 0.00 WAT1 ATOM 4290 H2 TIP3 770 18.476 -44.833 20.159 0.00 0.00 WAT1 ATOM 4291 OH2 TIP3 771 25.904 -45.149 20.080 0.00 0.00 WAT1 ATOM 4292 H1 TIP3 771 25.576 -44.878 19.222 0.00 0.00 WAT1 ATOM 4293 H2 TIP3 771 26.056 -46.090 19.992 0.00 0.00 WAT1 ATOM 4294 OH2 TIP3 772 20.081 -47.919 20.067 0.00 0.00 WAT1 ATOM 4295 H1 TIP3 772 20.489 -48.776 19.946 0.00 0.00 WAT1 ATOM 4296 H2 TIP3 772 19.821 -47.904 20.988 0.00 0.00 WAT1 ATOM 4297 OH2 TIP3 773 17.925 -37.840 8.909 0.00 0.00 WAT1 ATOM 4298 H1 TIP3 773 17.278 -38.302 8.376 0.00 0.00 WAT1 ATOM 4299 H2 TIP3 773 18.280 -38.512 9.492 0.00 0.00 WAT1 ATOM 4300 OH2 TIP3 774 18.795 -39.759 10.714 0.00 0.00 WAT1 ATOM 4301 H1 TIP3 774 18.461 -40.640 10.886 0.00 0.00 WAT1 ATOM 4302 H2 TIP3 774 19.017 -39.414 11.578 0.00 0.00 WAT1 ATOM 4303 OH2 TIP3 775 18.875 -46.684 13.165 0.00 0.00 WAT1 ATOM 4304 H1 TIP3 775 19.059 -46.766 12.230 0.00 0.00 WAT1 ATOM 4305 H2 TIP3 775 19.724 -46.808 13.589 0.00 0.00 WAT1 ATOM 4306 OH2 TIP3 776 27.732 -39.557 19.027 0.00 0.00 WAT1 ATOM 4307 H1 TIP3 776 27.917 -39.891 19.905 0.00 0.00 WAT1 ATOM 4308 H2 TIP3 776 28.579 -39.248 18.705 0.00 0.00 WAT1 ATOM 4309 OH2 TIP3 777 30.077 -38.272 18.271 0.00 0.00 WAT1 ATOM 4310 H1 TIP3 777 30.754 -38.904 18.031 0.00 0.00 WAT1 ATOM 4311 H2 TIP3 777 30.399 -37.870 19.079 0.00 0.00 WAT1 ATOM 4312 OH2 TIP3 778 28.001 -38.212 14.321 0.00 0.00 WAT1 ATOM 4313 H1 TIP3 778 27.544 -37.683 13.667 0.00 0.00 WAT1 ATOM 4314 H2 TIP3 778 28.164 -37.609 15.046 0.00 0.00 WAT1 ATOM 4315 OH2 TIP3 779 30.328 -39.334 15.266 0.00 0.00 WAT1 ATOM 4316 H1 TIP3 779 29.424 -39.169 15.000 0.00 0.00 WAT1 ATOM 4317 H2 TIP3 779 30.757 -38.481 15.200 0.00 0.00 WAT1 ATOM 4318 OH2 TIP3 780 20.238 -39.077 13.026 0.00 0.00 WAT1 ATOM 4319 H1 TIP3 780 20.219 -39.502 13.883 0.00 0.00 WAT1 ATOM 4320 H2 TIP3 780 21.043 -39.395 12.617 0.00 0.00 WAT1 ATOM 4321 OH2 TIP3 781 22.379 -40.367 11.681 0.00 0.00 WAT1 ATOM 4322 H1 TIP3 781 22.160 -41.283 11.850 0.00 0.00 WAT1 ATOM 4323 H2 TIP3 781 23.203 -40.227 12.147 0.00 0.00 WAT1 ATOM 4324 OH2 TIP3 782 24.916 -39.897 12.529 0.00 0.00 WAT1 ATOM 4325 H1 TIP3 782 25.129 -40.785 12.242 0.00 0.00 WAT1 ATOM 4326 H2 TIP3 782 24.981 -39.931 13.484 0.00 0.00 WAT1 ATOM 4327 OH2 TIP3 783 28.763 -47.188 31.729 0.00 0.00 WAT1 ATOM 4328 H1 TIP3 783 28.725 -47.834 32.434 0.00 0.00 WAT1 ATOM 4329 H2 TIP3 783 28.440 -47.654 30.958 0.00 0.00 WAT1 ATOM 4330 OH2 TIP3 784 21.131 -47.573 33.322 0.00 0.00 WAT1 ATOM 4331 H1 TIP3 784 21.173 -48.199 34.046 0.00 0.00 WAT1 ATOM 4332 H2 TIP3 784 21.834 -46.950 33.504 0.00 0.00 WAT1 ATOM 4333 OH2 TIP3 785 18.665 -49.463 27.250 0.00 0.00 WAT1 ATOM 4334 H1 TIP3 785 18.217 -48.617 27.232 0.00 0.00 WAT1 ATOM 4335 H2 TIP3 785 18.104 -50.043 26.735 0.00 0.00 WAT1 ATOM 4336 OH2 TIP3 786 19.375 -47.301 29.376 0.00 0.00 WAT1 ATOM 4337 H1 TIP3 786 19.589 -48.071 29.903 0.00 0.00 WAT1 ATOM 4338 H2 TIP3 786 20.113 -47.212 28.773 0.00 0.00 WAT1 ATOM 4339 OH2 TIP3 787 29.580 -39.144 30.243 0.00 0.00 WAT1 ATOM 4340 H1 TIP3 787 30.200 -39.821 29.970 0.00 0.00 WAT1 ATOM 4341 H2 TIP3 787 29.372 -39.362 31.151 0.00 0.00 WAT1 ATOM 4342 OH2 TIP3 788 27.152 -44.755 32.135 0.00 0.00 WAT1 ATOM 4343 H1 TIP3 788 27.456 -45.441 31.541 0.00 0.00 WAT1 ATOM 4344 H2 TIP3 788 27.874 -44.637 32.753 0.00 0.00 WAT1 ATOM 4345 OH2 TIP3 789 20.068 -49.863 30.497 0.00 0.00 WAT1 ATOM 4346 H1 TIP3 789 20.722 -50.413 30.929 0.00 0.00 WAT1 ATOM 4347 H2 TIP3 789 20.092 -50.137 29.581 0.00 0.00 WAT1 ATOM 4348 OH2 TIP3 790 25.224 -48.313 29.713 0.00 0.00 WAT1 ATOM 4349 H1 TIP3 790 25.840 -48.839 30.222 0.00 0.00 WAT1 ATOM 4350 H2 TIP3 790 24.638 -48.953 29.309 0.00 0.00 WAT1 ATOM 4351 OH2 TIP3 791 29.627 -43.842 27.353 0.00 0.00 WAT1 ATOM 4352 H1 TIP3 791 29.331 -44.164 26.502 0.00 0.00 WAT1 ATOM 4353 H2 TIP3 791 29.303 -42.942 27.395 0.00 0.00 WAT1 ATOM 4354 OH2 TIP3 792 24.827 -45.666 34.097 0.00 0.00 WAT1 ATOM 4355 H1 TIP3 792 24.087 -45.068 34.200 0.00 0.00 WAT1 ATOM 4356 H2 TIP3 792 25.541 -45.112 33.781 0.00 0.00 WAT1 ATOM 4357 OH2 TIP3 793 23.235 -43.702 34.884 0.00 0.00 WAT1 ATOM 4358 H1 TIP3 793 23.229 -42.823 34.506 0.00 0.00 WAT1 ATOM 4359 H2 TIP3 793 22.381 -43.785 35.309 0.00 0.00 WAT1 ATOM 4360 OH2 TIP3 794 19.356 -44.031 25.666 0.00 0.00 WAT1 ATOM 4361 H1 TIP3 794 19.084 -43.802 24.777 0.00 0.00 WAT1 ATOM 4362 H2 TIP3 794 19.401 -43.193 26.126 0.00 0.00 WAT1 ATOM 4363 OH2 TIP3 795 23.602 -46.359 28.597 0.00 0.00 WAT1 ATOM 4364 H1 TIP3 795 23.272 -46.729 27.778 0.00 0.00 WAT1 ATOM 4365 H2 TIP3 795 24.190 -47.029 28.943 0.00 0.00 WAT1 ATOM 4366 OH2 TIP3 796 23.969 -47.590 32.230 0.00 0.00 WAT1 ATOM 4367 H1 TIP3 796 24.534 -47.469 31.467 0.00 0.00 WAT1 ATOM 4368 H2 TIP3 796 24.288 -46.953 32.869 0.00 0.00 WAT1 ATOM 4369 OH2 TIP3 797 30.278 -42.087 32.964 0.00 0.00 WAT1 ATOM 4370 H1 TIP3 797 30.037 -41.425 33.612 0.00 0.00 WAT1 ATOM 4371 H2 TIP3 797 30.080 -42.921 33.389 0.00 0.00 WAT1 ATOM 4372 OH2 TIP3 798 24.849 -43.191 36.947 0.00 0.00 WAT1 ATOM 4373 H1 TIP3 798 24.537 -42.409 37.403 0.00 0.00 WAT1 ATOM 4374 H2 TIP3 798 24.199 -43.344 36.261 0.00 0.00 WAT1 ATOM 4375 OH2 TIP3 799 21.769 -46.993 36.176 0.00 0.00 WAT1 ATOM 4376 H1 TIP3 799 21.839 -46.342 36.874 0.00 0.00 WAT1 ATOM 4377 H2 TIP3 799 20.878 -46.890 35.841 0.00 0.00 WAT1 ATOM 4378 OH2 TIP3 800 28.554 -41.090 27.834 0.00 0.00 WAT1 ATOM 4379 H1 TIP3 800 29.028 -40.795 28.612 0.00 0.00 WAT1 ATOM 4380 H2 TIP3 800 27.991 -40.352 27.601 0.00 0.00 WAT1 ATOM 4381 OH2 TIP3 801 22.592 -47.289 26.186 0.00 0.00 WAT1 ATOM 4382 H1 TIP3 801 22.300 -46.521 25.695 0.00 0.00 WAT1 ATOM 4383 H2 TIP3 801 21.918 -47.949 26.023 0.00 0.00 WAT1 ATOM 4384 OH2 TIP3 802 27.612 -41.906 36.443 0.00 0.00 WAT1 ATOM 4385 H1 TIP3 802 27.699 -41.080 36.918 0.00 0.00 WAT1 ATOM 4386 H2 TIP3 802 26.748 -42.236 36.692 0.00 0.00 WAT1 ATOM 4387 OH2 TIP3 803 28.026 -38.134 26.249 0.00 0.00 WAT1 ATOM 4388 H1 TIP3 803 27.951 -38.255 25.303 0.00 0.00 WAT1 ATOM 4389 H2 TIP3 803 28.059 -37.184 26.368 0.00 0.00 WAT1 ATOM 4390 OH2 TIP3 804 31.128 -38.980 23.252 0.00 0.00 WAT1 ATOM 4391 H1 TIP3 804 31.503 -39.724 22.781 0.00 0.00 WAT1 ATOM 4392 H2 TIP3 804 31.132 -39.250 24.170 0.00 0.00 WAT1 ATOM 4393 OH2 TIP3 805 30.797 -39.054 26.001 0.00 0.00 WAT1 ATOM 4394 H1 TIP3 805 29.862 -38.954 26.180 0.00 0.00 WAT1 ATOM 4395 H2 TIP3 805 31.077 -39.763 26.579 0.00 0.00 WAT1 ATOM 4396 OH2 TIP3 806 23.641 -49.946 28.047 0.00 0.00 WAT1 ATOM 4397 H1 TIP3 806 22.748 -50.287 27.988 0.00 0.00 WAT1 ATOM 4398 H2 TIP3 806 24.092 -50.323 27.291 0.00 0.00 WAT1 ATOM 4399 OH2 TIP3 807 21.394 -49.847 35.002 0.00 0.00 WAT1 ATOM 4400 H1 TIP3 807 21.356 -49.447 35.870 0.00 0.00 WAT1 ATOM 4401 H2 TIP3 807 20.903 -50.664 35.092 0.00 0.00 WAT1 ATOM 4402 OH2 TIP3 808 26.713 -45.130 25.119 0.00 0.00 WAT1 ATOM 4403 H1 TIP3 808 25.969 -45.637 24.796 0.00 0.00 WAT1 ATOM 4404 H2 TIP3 808 26.579 -45.081 26.065 0.00 0.00 WAT1 ATOM 4405 OH2 TIP3 809 28.839 -43.671 24.144 0.00 0.00 WAT1 ATOM 4406 H1 TIP3 809 28.544 -42.845 24.526 0.00 0.00 WAT1 ATOM 4407 H2 TIP3 809 28.136 -44.291 24.340 0.00 0.00 WAT1 ATOM 4408 OH2 TIP3 810 18.846 -47.374 36.203 0.00 0.00 WAT1 ATOM 4409 H1 TIP3 810 19.069 -47.792 37.035 0.00 0.00 WAT1 ATOM 4410 H2 TIP3 810 18.244 -47.987 35.781 0.00 0.00 WAT1 ATOM 4411 OH2 TIP3 811 19.968 -47.455 22.880 0.00 0.00 WAT1 ATOM 4412 H1 TIP3 811 20.584 -46.828 23.259 0.00 0.00 WAT1 ATOM 4413 H2 TIP3 811 19.106 -47.139 23.151 0.00 0.00 WAT1 ATOM 4414 OH2 TIP3 812 25.640 -44.654 27.869 0.00 0.00 WAT1 ATOM 4415 H1 TIP3 812 25.399 -43.729 27.911 0.00 0.00 WAT1 ATOM 4416 H2 TIP3 812 24.900 -45.113 28.265 0.00 0.00 WAT1 ATOM 4417 OH2 TIP3 813 26.155 -40.505 34.184 0.00 0.00 WAT1 ATOM 4418 H1 TIP3 813 26.518 -39.650 33.951 0.00 0.00 WAT1 ATOM 4419 H2 TIP3 813 26.687 -40.797 34.925 0.00 0.00 WAT1 ATOM 4420 OH2 TIP3 814 29.699 -44.406 33.885 0.00 0.00 WAT1 ATOM 4421 H1 TIP3 814 29.273 -44.633 34.711 0.00 0.00 WAT1 ATOM 4422 H2 TIP3 814 30.280 -45.144 33.702 0.00 0.00 WAT1 ATOM 4423 OH2 TIP3 815 21.383 -45.542 24.372 0.00 0.00 WAT1 ATOM 4424 H1 TIP3 815 20.697 -45.190 24.939 0.00 0.00 WAT1 ATOM 4425 H2 TIP3 815 21.906 -44.779 24.126 0.00 0.00 WAT1 ATOM 4426 OH2 TIP3 816 27.668 -41.097 24.611 0.00 0.00 WAT1 ATOM 4427 H1 TIP3 816 26.851 -40.600 24.664 0.00 0.00 WAT1 ATOM 4428 H2 TIP3 816 28.197 -40.622 23.971 0.00 0.00 WAT1 ATOM 4429 OH2 TIP3 817 28.031 -40.502 21.544 0.00 0.00 WAT1 ATOM 4430 H1 TIP3 817 27.387 -41.133 21.866 0.00 0.00 WAT1 ATOM 4431 H2 TIP3 817 28.793 -41.033 21.312 0.00 0.00 WAT1 ATOM 4432 OH2 TIP3 818 23.590 -44.775 21.635 0.00 0.00 WAT1 ATOM 4433 H1 TIP3 818 23.654 -45.569 22.166 0.00 0.00 WAT1 ATOM 4434 H2 TIP3 818 24.243 -44.894 20.946 0.00 0.00 WAT1 ATOM 4435 OH2 TIP3 819 25.904 -45.149 38.936 0.00 0.00 WAT1 ATOM 4436 H1 TIP3 819 25.576 -44.878 38.078 0.00 0.00 WAT1 ATOM 4437 H2 TIP3 819 26.056 -46.090 38.848 0.00 0.00 WAT1 ATOM 4438 OH2 TIP3 820 28.942 -43.728 21.371 0.00 0.00 WAT1 ATOM 4439 H1 TIP3 820 28.674 -43.548 22.272 0.00 0.00 WAT1 ATOM 4440 H2 TIP3 820 28.736 -44.654 21.240 0.00 0.00 WAT1 ATOM 4441 OH2 TIP3 821 20.081 -47.919 38.923 0.00 0.00 WAT1 ATOM 4442 H1 TIP3 821 20.489 -48.776 38.802 0.00 0.00 WAT1 ATOM 4443 H2 TIP3 821 19.821 -47.904 39.844 0.00 0.00 WAT1 ATOM 4444 OH2 TIP3 822 24.739 -46.803 23.941 0.00 0.00 WAT1 ATOM 4445 H1 TIP3 822 24.280 -47.287 24.627 0.00 0.00 WAT1 ATOM 4446 H2 TIP3 822 24.994 -47.471 23.305 0.00 0.00 WAT1 ATOM 4447 OH2 TIP3 823 24.028 -48.910 36.297 0.00 0.00 WAT1 ATOM 4448 H1 TIP3 823 23.410 -48.235 36.578 0.00 0.00 WAT1 ATOM 4449 H2 TIP3 823 24.372 -48.589 35.464 0.00 0.00 WAT1 ATOM 4450 OH2 TIP3 824 26.362 -47.746 35.112 0.00 0.00 WAT1 ATOM 4451 H1 TIP3 824 27.113 -47.902 34.539 0.00 0.00 WAT1 ATOM 4452 H2 TIP3 824 26.023 -46.894 34.836 0.00 0.00 WAT1 ATOM 4453 OH2 TIP3 825 18.473 -51.413 38.162 0.00 0.00 WAT1 ATOM 4454 H1 TIP3 825 19.392 -51.535 38.398 0.00 0.00 WAT1 ATOM 4455 H2 TIP3 825 18.023 -52.163 38.551 0.00 0.00 WAT1 ATOM 4456 OH2 TIP3 826 17.998 -50.102 32.122 0.00 0.00 WAT1 ATOM 4457 H1 TIP3 826 18.490 -50.323 31.332 0.00 0.00 WAT1 ATOM 4458 H2 TIP3 826 18.360 -49.261 32.403 0.00 0.00 WAT1 ATOM 4459 OH2 TIP3 827 23.421 -40.956 34.924 0.00 0.00 WAT1 ATOM 4460 H1 TIP3 827 22.996 -40.147 34.641 0.00 0.00 WAT1 ATOM 4461 H2 TIP3 827 24.326 -40.871 34.622 0.00 0.00 WAT1 ATOM 4462 OH2 TIP3 828 27.732 -39.557 37.883 0.00 0.00 WAT1 ATOM 4463 H1 TIP3 828 27.917 -39.891 38.761 0.00 0.00 WAT1 ATOM 4464 H2 TIP3 828 28.579 -39.248 37.561 0.00 0.00 WAT1 ATOM 4465 OH2 TIP3 829 23.290 -38.100 34.001 0.00 0.00 WAT1 ATOM 4466 H1 TIP3 829 22.425 -38.028 34.405 0.00 0.00 WAT1 ATOM 4467 H2 TIP3 829 23.235 -37.553 33.217 0.00 0.00 WAT1 ATOM 4468 OH2 TIP3 830 28.001 -38.212 33.177 0.00 0.00 WAT1 ATOM 4469 H1 TIP3 830 27.544 -37.683 32.523 0.00 0.00 WAT1 ATOM 4470 H2 TIP3 830 28.164 -37.609 33.902 0.00 0.00 WAT1 ATOM 4471 OH2 TIP3 831 28.353 -38.643 23.450 0.00 0.00 WAT1 ATOM 4472 H1 TIP3 831 29.219 -38.277 23.272 0.00 0.00 WAT1 ATOM 4473 H2 TIP3 831 28.106 -39.083 22.637 0.00 0.00 WAT1 ATOM 4474 OH2 TIP3 832 19.356 -44.031 44.522 0.00 0.00 WAT1 ATOM 4475 H1 TIP3 832 19.084 -43.802 43.633 0.00 0.00 WAT1 ATOM 4476 H2 TIP3 832 19.401 -43.193 44.982 0.00 0.00 WAT1 ATOM 4477 OH2 TIP3 833 28.026 -38.134 45.105 0.00 0.00 WAT1 ATOM 4478 H1 TIP3 833 27.951 -38.255 44.159 0.00 0.00 WAT1 ATOM 4479 H2 TIP3 833 28.059 -37.184 45.224 0.00 0.00 WAT1 ATOM 4480 OH2 TIP3 834 21.680 -39.345 46.886 0.00 0.00 WAT1 ATOM 4481 H1 TIP3 834 21.832 -39.693 47.765 0.00 0.00 WAT1 ATOM 4482 H2 TIP3 834 20.829 -39.701 46.631 0.00 0.00 WAT1 ATOM 4483 OH2 TIP3 835 24.213 -42.317 47.149 0.00 0.00 WAT1 ATOM 4484 H1 TIP3 835 24.740 -41.544 46.948 0.00 0.00 WAT1 ATOM 4485 H2 TIP3 835 23.333 -42.092 46.847 0.00 0.00 WAT1 ATOM 4486 OH2 TIP3 836 19.968 -47.455 41.736 0.00 0.00 WAT1 ATOM 4487 H1 TIP3 836 20.584 -46.828 42.115 0.00 0.00 WAT1 ATOM 4488 H2 TIP3 836 19.106 -47.139 42.007 0.00 0.00 WAT1 ATOM 4489 OH2 TIP3 837 24.324 -39.632 46.270 0.00 0.00 WAT1 ATOM 4490 H1 TIP3 837 23.374 -39.527 46.322 0.00 0.00 WAT1 ATOM 4491 H2 TIP3 837 24.675 -38.812 46.615 0.00 0.00 WAT1 ATOM 4492 OH2 TIP3 838 25.993 -42.365 40.262 0.00 0.00 WAT1 ATOM 4493 H1 TIP3 838 26.232 -43.113 39.714 0.00 0.00 WAT1 ATOM 4494 H2 TIP3 838 25.724 -42.753 41.094 0.00 0.00 WAT1 ATOM 4495 OH2 TIP3 839 24.930 -42.795 42.718 0.00 0.00 WAT1 ATOM 4496 H1 TIP3 839 25.077 -43.315 43.508 0.00 0.00 WAT1 ATOM 4497 H2 TIP3 839 24.927 -41.888 43.024 0.00 0.00 WAT1 ATOM 4498 OH2 TIP3 840 21.383 -45.542 43.228 0.00 0.00 WAT1 ATOM 4499 H1 TIP3 840 20.697 -45.190 43.795 0.00 0.00 WAT1 ATOM 4500 H2 TIP3 840 21.906 -44.779 42.982 0.00 0.00 WAT1 ATOM 4501 OH2 TIP3 841 25.006 -40.054 43.449 0.00 0.00 WAT1 ATOM 4502 H1 TIP3 841 25.167 -39.254 42.948 0.00 0.00 WAT1 ATOM 4503 H2 TIP3 841 24.809 -39.747 44.334 0.00 0.00 WAT1 ATOM 4504 OH2 TIP3 842 21.999 -42.928 42.125 0.00 0.00 WAT1 ATOM 4505 H1 TIP3 842 22.591 -42.229 42.401 0.00 0.00 WAT1 ATOM 4506 H2 TIP3 842 22.458 -43.361 41.406 0.00 0.00 WAT1 ATOM 4507 OH2 TIP3 843 20.053 -41.542 46.075 0.00 0.00 WAT1 ATOM 4508 H1 TIP3 843 19.221 -41.069 46.102 0.00 0.00 WAT1 ATOM 4509 H2 TIP3 843 20.599 -41.032 45.476 0.00 0.00 WAT1 ATOM 4510 OH2 TIP3 844 28.031 -40.502 40.400 0.00 0.00 WAT1 ATOM 4511 H1 TIP3 844 27.387 -41.133 40.722 0.00 0.00 WAT1 ATOM 4512 H2 TIP3 844 28.793 -41.033 40.168 0.00 0.00 WAT1 ATOM 4513 OH2 TIP3 845 23.590 -44.775 40.491 0.00 0.00 WAT1 ATOM 4514 H1 TIP3 845 23.654 -45.569 41.022 0.00 0.00 WAT1 ATOM 4515 H2 TIP3 845 24.243 -44.894 39.802 0.00 0.00 WAT1 ATOM 4516 OH2 TIP3 846 25.708 -37.869 42.061 0.00 0.00 WAT1 ATOM 4517 H1 TIP3 846 26.641 -37.711 42.205 0.00 0.00 WAT1 ATOM 4518 H2 TIP3 846 25.444 -37.194 41.436 0.00 0.00 WAT1 ATOM 4519 OH2 TIP3 847 18.795 -39.759 48.426 0.00 0.00 WAT1 ATOM 4520 H1 TIP3 847 18.461 -40.640 48.598 0.00 0.00 WAT1 ATOM 4521 H2 TIP3 847 19.017 -39.414 49.290 0.00 0.00 WAT1 ATOM 4522 OH2 TIP3 848 20.238 -39.077 50.738 0.00 0.00 WAT1 ATOM 4523 H1 TIP3 848 20.219 -39.502 51.595 0.00 0.00 WAT1 ATOM 4524 H2 TIP3 848 21.043 -39.395 50.329 0.00 0.00 WAT1 ATOM 4525 OH2 TIP3 849 22.379 -40.367 49.393 0.00 0.00 WAT1 ATOM 4526 H1 TIP3 849 22.160 -41.283 49.562 0.00 0.00 WAT1 ATOM 4527 H2 TIP3 849 23.203 -40.227 49.859 0.00 0.00 WAT1 ATOM 4528 OH2 TIP3 850 21.131 -28.717 -4.390 0.00 0.00 WAT1 ATOM 4529 H1 TIP3 850 21.173 -29.343 -3.666 0.00 0.00 WAT1 ATOM 4530 H2 TIP3 850 21.834 -28.094 -4.208 0.00 0.00 WAT1 ATOM 4531 OH2 TIP3 851 22.055 -24.267 -5.855 0.00 0.00 WAT1 ATOM 4532 H1 TIP3 851 21.685 -25.069 -6.224 0.00 0.00 WAT1 ATOM 4533 H2 TIP3 851 22.996 -24.436 -5.808 0.00 0.00 WAT1 ATOM 4534 OH2 TIP3 852 19.375 -28.445 -8.336 0.00 0.00 WAT1 ATOM 4535 H1 TIP3 852 19.589 -29.215 -7.809 0.00 0.00 WAT1 ATOM 4536 H2 TIP3 852 20.113 -28.356 -8.939 0.00 0.00 WAT1 ATOM 4537 OH2 TIP3 853 23.235 -24.846 -2.828 0.00 0.00 WAT1 ATOM 4538 H1 TIP3 853 23.229 -23.967 -3.206 0.00 0.00 WAT1 ATOM 4539 H2 TIP3 853 22.381 -24.929 -2.403 0.00 0.00 WAT1 ATOM 4540 OH2 TIP3 854 24.849 -24.335 -0.765 0.00 0.00 WAT1 ATOM 4541 H1 TIP3 854 24.537 -23.553 -0.309 0.00 0.00 WAT1 ATOM 4542 H2 TIP3 854 24.199 -24.488 -1.451 0.00 0.00 WAT1 ATOM 4543 OH2 TIP3 855 21.769 -28.137 -1.536 0.00 0.00 WAT1 ATOM 4544 H1 TIP3 855 21.839 -27.486 -0.838 0.00 0.00 WAT1 ATOM 4545 H2 TIP3 855 20.878 -28.034 -1.871 0.00 0.00 WAT1 ATOM 4546 OH2 TIP3 856 23.088 -22.263 -0.001 0.00 0.00 WAT1 ATOM 4547 H1 TIP3 856 23.096 -22.399 -0.949 0.00 0.00 WAT1 ATOM 4548 H2 TIP3 856 22.172 -22.381 0.251 0.00 0.00 WAT1 ATOM 4549 OH2 TIP3 857 18.685 -26.070 -2.711 0.00 0.00 WAT1 ATOM 4550 H1 TIP3 857 18.184 -26.098 -3.526 0.00 0.00 WAT1 ATOM 4551 H2 TIP3 857 18.691 -26.976 -2.401 0.00 0.00 WAT1 ATOM 4552 OH2 TIP3 858 18.436 -23.290 -5.827 0.00 0.00 WAT1 ATOM 4553 H1 TIP3 858 19.382 -23.434 -5.846 0.00 0.00 WAT1 ATOM 4554 H2 TIP3 858 18.323 -22.506 -5.290 0.00 0.00 WAT1 ATOM 4555 OH2 TIP3 859 20.934 -24.747 -1.668 0.00 0.00 WAT1 ATOM 4556 H1 TIP3 859 21.151 -25.108 -0.808 0.00 0.00 WAT1 ATOM 4557 H2 TIP3 859 20.079 -25.121 -1.878 0.00 0.00 WAT1 ATOM 4558 OH2 TIP3 860 21.394 -30.991 -2.710 0.00 0.00 WAT1 ATOM 4559 H1 TIP3 860 21.356 -30.591 -1.842 0.00 0.00 WAT1 ATOM 4560 H2 TIP3 860 20.903 -31.808 -2.620 0.00 0.00 WAT1 ATOM 4561 OH2 TIP3 861 25.863 -29.001 0.704 0.00 0.00 WAT1 ATOM 4562 H1 TIP3 861 25.567 -29.167 -0.191 0.00 0.00 WAT1 ATOM 4563 H2 TIP3 861 26.794 -29.221 0.694 0.00 0.00 WAT1 ATOM 4564 OH2 TIP3 862 20.480 -33.765 -1.951 0.00 0.00 WAT1 ATOM 4565 H1 TIP3 862 19.587 -33.426 -2.018 0.00 0.00 WAT1 ATOM 4566 H2 TIP3 862 20.381 -34.620 -1.533 0.00 0.00 WAT1 ATOM 4567 OH2 TIP3 863 20.131 -21.960 -3.516 0.00 0.00 WAT1 ATOM 4568 H1 TIP3 863 20.348 -22.892 -3.547 0.00 0.00 WAT1 ATOM 4569 H2 TIP3 863 20.378 -21.686 -2.632 0.00 0.00 WAT1 ATOM 4570 OH2 TIP3 864 23.939 -21.154 2.457 0.00 0.00 WAT1 ATOM 4571 H1 TIP3 864 24.707 -21.613 2.798 0.00 0.00 WAT1 ATOM 4572 H2 TIP3 864 23.918 -21.380 1.527 0.00 0.00 WAT1 ATOM 4573 OH2 TIP3 865 25.904 -26.293 1.224 0.00 0.00 WAT1 ATOM 4574 H1 TIP3 865 25.576 -26.022 0.366 0.00 0.00 WAT1 ATOM 4575 H2 TIP3 865 26.056 -27.234 1.136 0.00 0.00 WAT1 ATOM 4576 OH2 TIP3 866 24.028 -30.054 -1.415 0.00 0.00 WAT1 ATOM 4577 H1 TIP3 866 23.410 -29.379 -1.134 0.00 0.00 WAT1 ATOM 4578 H2 TIP3 866 24.372 -29.733 -2.248 0.00 0.00 WAT1 ATOM 4579 OH2 TIP3 867 24.368 -32.699 -0.332 0.00 0.00 WAT1 ATOM 4580 H1 TIP3 867 24.518 -33.428 -0.935 0.00 0.00 WAT1 ATOM 4581 H2 TIP3 867 24.370 -31.922 -0.891 0.00 0.00 WAT1 ATOM 4582 OH2 TIP3 868 22.846 -31.501 1.579 0.00 0.00 WAT1 ATOM 4583 H1 TIP3 868 22.079 -32.033 1.369 0.00 0.00 WAT1 ATOM 4584 H2 TIP3 868 23.525 -31.811 0.980 0.00 0.00 WAT1 ATOM 4585 OH2 TIP3 869 21.027 -33.580 1.284 0.00 0.00 WAT1 ATOM 4586 H1 TIP3 869 21.238 -34.287 0.673 0.00 0.00 WAT1 ATOM 4587 H2 TIP3 869 20.915 -34.018 2.128 0.00 0.00 WAT1 ATOM 4588 OH2 TIP3 870 18.795 -20.903 -8.142 0.00 0.00 WAT1 ATOM 4589 H1 TIP3 870 18.461 -21.784 -7.970 0.00 0.00 WAT1 ATOM 4590 H2 TIP3 870 19.017 -20.558 -7.278 0.00 0.00 WAT1 ATOM 4591 OH2 TIP3 871 18.875 -27.828 -5.691 0.00 0.00 WAT1 ATOM 4592 H1 TIP3 871 19.059 -27.910 -6.626 0.00 0.00 WAT1 ATOM 4593 H2 TIP3 871 19.724 -27.952 -5.267 0.00 0.00 WAT1 ATOM 4594 OH2 TIP3 872 18.473 -32.557 0.450 0.00 0.00 WAT1 ATOM 4595 H1 TIP3 872 19.392 -32.679 0.686 0.00 0.00 WAT1 ATOM 4596 H2 TIP3 872 18.023 -33.307 0.839 0.00 0.00 WAT1 ATOM 4597 OH2 TIP3 873 17.998 -31.246 -5.590 0.00 0.00 WAT1 ATOM 4598 H1 TIP3 873 18.490 -31.467 -6.380 0.00 0.00 WAT1 ATOM 4599 H2 TIP3 873 18.360 -30.405 -5.309 0.00 0.00 WAT1 ATOM 4600 OH2 TIP3 874 18.275 -36.250 -3.191 0.00 0.00 WAT1 ATOM 4601 H1 TIP3 874 17.610 -36.496 -2.548 0.00 0.00 WAT1 ATOM 4602 H2 TIP3 874 17.832 -35.628 -3.768 0.00 0.00 WAT1 ATOM 4603 OH2 TIP3 875 20.467 -23.075 0.953 0.00 0.00 WAT1 ATOM 4604 H1 TIP3 875 19.646 -22.900 0.493 0.00 0.00 WAT1 ATOM 4605 H2 TIP3 875 20.215 -23.148 1.874 0.00 0.00 WAT1 ATOM 4606 OH2 TIP3 876 23.421 -22.100 -2.788 0.00 0.00 WAT1 ATOM 4607 H1 TIP3 876 22.996 -21.291 -3.071 0.00 0.00 WAT1 ATOM 4608 H2 TIP3 876 24.326 -22.015 -3.090 0.00 0.00 WAT1 ATOM 4609 OH2 TIP3 877 20.823 -18.844 -2.741 0.00 0.00 WAT1 ATOM 4610 H1 TIP3 877 20.103 -18.404 -3.192 0.00 0.00 WAT1 ATOM 4611 H2 TIP3 877 20.457 -19.095 -1.892 0.00 0.00 WAT1 ATOM 4612 OH2 TIP3 878 23.290 -19.244 -3.711 0.00 0.00 WAT1 ATOM 4613 H1 TIP3 878 22.425 -19.172 -3.307 0.00 0.00 WAT1 ATOM 4614 H2 TIP3 878 23.235 -18.697 -4.495 0.00 0.00 WAT1 ATOM 4615 OH2 TIP3 879 20.238 -20.221 -5.830 0.00 0.00 WAT1 ATOM 4616 H1 TIP3 879 20.219 -20.646 -4.973 0.00 0.00 WAT1 ATOM 4617 H2 TIP3 879 21.043 -20.539 -6.239 0.00 0.00 WAT1 ATOM 4618 OH2 TIP3 880 21.131 -28.717 14.466 0.00 0.00 WAT1 ATOM 4619 H1 TIP3 880 21.173 -29.343 15.190 0.00 0.00 WAT1 ATOM 4620 H2 TIP3 880 21.834 -28.094 14.648 0.00 0.00 WAT1 ATOM 4621 OH2 TIP3 881 18.665 -30.607 8.394 0.00 0.00 WAT1 ATOM 4622 H1 TIP3 881 18.217 -29.761 8.376 0.00 0.00 WAT1 ATOM 4623 H2 TIP3 881 18.104 -31.187 7.879 0.00 0.00 WAT1 ATOM 4624 OH2 TIP3 882 19.375 -28.445 10.520 0.00 0.00 WAT1 ATOM 4625 H1 TIP3 882 19.589 -29.215 11.047 0.00 0.00 WAT1 ATOM 4626 H2 TIP3 882 20.113 -28.356 9.917 0.00 0.00 WAT1 ATOM 4627 OH2 TIP3 883 27.152 -25.899 13.279 0.00 0.00 WAT1 ATOM 4628 H1 TIP3 883 27.456 -26.585 12.685 0.00 0.00 WAT1 ATOM 4629 H2 TIP3 883 27.874 -25.781 13.897 0.00 0.00 WAT1 ATOM 4630 OH2 TIP3 884 23.448 -33.404 10.879 0.00 0.00 WAT1 ATOM 4631 H1 TIP3 884 23.491 -32.544 10.461 0.00 0.00 WAT1 ATOM 4632 H2 TIP3 884 22.990 -33.956 10.246 0.00 0.00 WAT1 ATOM 4633 OH2 TIP3 885 20.068 -31.007 11.641 0.00 0.00 WAT1 ATOM 4634 H1 TIP3 885 20.722 -31.557 12.073 0.00 0.00 WAT1 ATOM 4635 H2 TIP3 885 20.092 -31.281 10.725 0.00 0.00 WAT1 ATOM 4636 OH2 TIP3 886 25.224 -29.457 10.857 0.00 0.00 WAT1 ATOM 4637 H1 TIP3 886 25.840 -29.983 11.366 0.00 0.00 WAT1 ATOM 4638 H2 TIP3 886 24.638 -30.097 10.453 0.00 0.00 WAT1 ATOM 4639 OH2 TIP3 887 24.827 -26.810 15.241 0.00 0.00 WAT1 ATOM 4640 H1 TIP3 887 24.087 -26.212 15.344 0.00 0.00 WAT1 ATOM 4641 H2 TIP3 887 25.541 -26.256 14.925 0.00 0.00 WAT1 ATOM 4642 OH2 TIP3 888 26.284 -37.180 12.406 0.00 0.00 WAT1 ATOM 4643 H1 TIP3 888 26.167 -38.129 12.352 0.00 0.00 WAT1 ATOM 4644 H2 TIP3 888 25.429 -36.848 12.679 0.00 0.00 WAT1 ATOM 4645 OH2 TIP3 889 28.551 -28.343 6.906 0.00 0.00 WAT1 ATOM 4646 H1 TIP3 889 27.839 -27.808 6.555 0.00 0.00 WAT1 ATOM 4647 H2 TIP3 889 29.242 -28.287 6.246 0.00 0.00 WAT1 ATOM 4648 OH2 TIP3 890 28.605 -29.885 3.945 0.00 0.00 WAT1 ATOM 4649 H1 TIP3 890 29.306 -29.863 4.596 0.00 0.00 WAT1 ATOM 4650 H2 TIP3 890 28.907 -30.513 3.289 0.00 0.00 WAT1 ATOM 4651 OH2 TIP3 891 23.602 -27.503 9.741 0.00 0.00 WAT1 ATOM 4652 H1 TIP3 891 23.272 -27.873 8.922 0.00 0.00 WAT1 ATOM 4653 H2 TIP3 891 24.190 -28.173 10.087 0.00 0.00 WAT1 ATOM 4654 OH2 TIP3 892 24.969 -24.075 12.422 0.00 0.00 WAT1 ATOM 4655 H1 TIP3 892 24.874 -24.653 11.665 0.00 0.00 WAT1 ATOM 4656 H2 TIP3 892 25.698 -24.446 12.918 0.00 0.00 WAT1 ATOM 4657 OH2 TIP3 893 23.969 -28.734 13.374 0.00 0.00 WAT1 ATOM 4658 H1 TIP3 893 24.534 -28.613 12.611 0.00 0.00 WAT1 ATOM 4659 H2 TIP3 893 24.288 -28.097 14.013 0.00 0.00 WAT1 ATOM 4660 OH2 TIP3 894 21.769 -28.137 17.320 0.00 0.00 WAT1 ATOM 4661 H1 TIP3 894 21.839 -27.486 18.018 0.00 0.00 WAT1 ATOM 4662 H2 TIP3 894 20.878 -28.034 16.985 0.00 0.00 WAT1 ATOM 4663 OH2 TIP3 895 27.612 -23.050 17.587 0.00 0.00 WAT1 ATOM 4664 H1 TIP3 895 27.699 -22.224 18.062 0.00 0.00 WAT1 ATOM 4665 H2 TIP3 895 26.748 -23.380 17.836 0.00 0.00 WAT1 ATOM 4666 OH2 TIP3 896 23.553 -36.277 13.184 0.00 0.00 WAT1 ATOM 4667 H1 TIP3 896 22.692 -36.364 12.776 0.00 0.00 WAT1 ATOM 4668 H2 TIP3 896 23.531 -35.421 13.611 0.00 0.00 WAT1 ATOM 4669 OH2 TIP3 897 28.216 -36.555 16.558 0.00 0.00 WAT1 ATOM 4670 H1 TIP3 897 28.636 -36.970 17.311 0.00 0.00 WAT1 ATOM 4671 H2 TIP3 897 27.283 -36.733 16.675 0.00 0.00 WAT1 ATOM 4672 OH2 TIP3 898 23.644 -31.311 14.279 0.00 0.00 WAT1 ATOM 4673 H1 TIP3 898 23.002 -31.352 14.988 0.00 0.00 WAT1 ATOM 4674 H2 TIP3 898 23.681 -30.385 14.041 0.00 0.00 WAT1 ATOM 4675 OH2 TIP3 899 23.641 -31.090 9.191 0.00 0.00 WAT1 ATOM 4676 H1 TIP3 899 22.748 -31.431 9.132 0.00 0.00 WAT1 ATOM 4677 H2 TIP3 899 24.092 -31.467 8.435 0.00 0.00 WAT1 ATOM 4678 OH2 TIP3 900 28.279 -30.499 19.496 0.00 0.00 WAT1 ATOM 4679 H1 TIP3 900 27.716 -31.203 19.816 0.00 0.00 WAT1 ATOM 4680 H2 TIP3 900 29.105 -30.619 19.963 0.00 0.00 WAT1 ATOM 4681 OH2 TIP3 901 19.277 -33.129 5.420 0.00 0.00 WAT1 ATOM 4682 H1 TIP3 901 19.751 -32.538 4.835 0.00 0.00 WAT1 ATOM 4683 H2 TIP3 901 18.559 -32.598 5.767 0.00 0.00 WAT1 ATOM 4684 OH2 TIP3 902 26.223 -33.663 10.277 0.00 0.00 WAT1 ATOM 4685 H1 TIP3 902 25.312 -33.606 10.566 0.00 0.00 WAT1 ATOM 4686 H2 TIP3 902 26.728 -33.723 11.088 0.00 0.00 WAT1 ATOM 4687 OH2 TIP3 903 21.051 -32.034 9.104 0.00 0.00 WAT1 ATOM 4688 H1 TIP3 903 20.162 -31.934 8.764 0.00 0.00 WAT1 ATOM 4689 H2 TIP3 903 21.347 -32.876 8.758 0.00 0.00 WAT1 ATOM 4690 OH2 TIP3 904 24.704 -32.034 6.760 0.00 0.00 WAT1 ATOM 4691 H1 TIP3 904 25.636 -31.905 6.938 0.00 0.00 WAT1 ATOM 4692 H2 TIP3 904 24.489 -31.364 6.111 0.00 0.00 WAT1 ATOM 4693 OH2 TIP3 905 23.378 -30.839 4.327 0.00 0.00 WAT1 ATOM 4694 H1 TIP3 905 22.836 -31.219 3.636 0.00 0.00 WAT1 ATOM 4695 H2 TIP3 905 24.212 -30.645 3.898 0.00 0.00 WAT1 ATOM 4696 OH2 TIP3 906 22.545 -34.739 8.582 0.00 0.00 WAT1 ATOM 4697 H1 TIP3 906 22.228 -35.641 8.547 0.00 0.00 WAT1 ATOM 4698 H2 TIP3 906 23.326 -34.737 8.030 0.00 0.00 WAT1 ATOM 4699 OH2 TIP3 907 26.169 -32.487 14.578 0.00 0.00 WAT1 ATOM 4700 H1 TIP3 907 25.334 -32.033 14.688 0.00 0.00 WAT1 ATOM 4701 H2 TIP3 907 26.693 -32.211 15.330 0.00 0.00 WAT1 ATOM 4702 OH2 TIP3 908 26.713 -26.274 6.263 0.00 0.00 WAT1 ATOM 4703 H1 TIP3 908 25.969 -26.781 5.940 0.00 0.00 WAT1 ATOM 4704 H2 TIP3 908 26.579 -26.225 7.209 0.00 0.00 WAT1 ATOM 4705 OH2 TIP3 909 28.233 -26.090 17.500 0.00 0.00 WAT1 ATOM 4706 H1 TIP3 909 27.887 -26.471 18.306 0.00 0.00 WAT1 ATOM 4707 H2 TIP3 909 28.033 -25.156 17.571 0.00 0.00 WAT1 ATOM 4708 OH2 TIP3 910 21.838 -26.979 12.032 0.00 0.00 WAT1 ATOM 4709 H1 TIP3 910 22.583 -26.981 11.431 0.00 0.00 WAT1 ATOM 4710 H2 TIP3 910 21.916 -27.803 12.514 0.00 0.00 WAT1 ATOM 4711 OH2 TIP3 911 28.839 -24.815 5.288 0.00 0.00 WAT1 ATOM 4712 H1 TIP3 911 28.544 -23.989 5.670 0.00 0.00 WAT1 ATOM 4713 H2 TIP3 911 28.136 -25.435 5.484 0.00 0.00 WAT1 ATOM 4714 OH2 TIP3 912 25.863 -29.001 19.560 0.00 0.00 WAT1 ATOM 4715 H1 TIP3 912 25.567 -29.167 18.665 0.00 0.00 WAT1 ATOM 4716 H2 TIP3 912 26.794 -29.221 19.550 0.00 0.00 WAT1 ATOM 4717 OH2 TIP3 913 30.483 -23.628 17.450 0.00 0.00 WAT1 ATOM 4718 H1 TIP3 913 29.582 -23.445 17.182 0.00 0.00 WAT1 ATOM 4719 H2 TIP3 913 30.517 -23.369 18.371 0.00 0.00 WAT1 ATOM 4720 OH2 TIP3 914 24.213 -23.461 9.437 0.00 0.00 WAT1 ATOM 4721 H1 TIP3 914 24.740 -22.688 9.236 0.00 0.00 WAT1 ATOM 4722 H2 TIP3 914 23.333 -23.236 9.135 0.00 0.00 WAT1 ATOM 4723 OH2 TIP3 915 25.640 -25.798 9.013 0.00 0.00 WAT1 ATOM 4724 H1 TIP3 915 25.399 -24.873 9.055 0.00 0.00 WAT1 ATOM 4725 H2 TIP3 915 24.900 -26.257 9.409 0.00 0.00 WAT1 ATOM 4726 OH2 TIP3 916 26.155 -21.649 15.328 0.00 0.00 WAT1 ATOM 4727 H1 TIP3 916 26.518 -20.794 15.095 0.00 0.00 WAT1 ATOM 4728 H2 TIP3 916 26.687 -21.941 16.069 0.00 0.00 WAT1 ATOM 4729 OH2 TIP3 917 24.324 -20.776 8.558 0.00 0.00 WAT1 ATOM 4730 H1 TIP3 917 23.374 -20.671 8.610 0.00 0.00 WAT1 ATOM 4731 H2 TIP3 917 24.675 -19.956 8.903 0.00 0.00 WAT1 ATOM 4732 OH2 TIP3 918 25.993 -23.509 2.550 0.00 0.00 WAT1 ATOM 4733 H1 TIP3 918 26.232 -24.257 2.002 0.00 0.00 WAT1 ATOM 4734 H2 TIP3 918 25.724 -23.897 3.382 0.00 0.00 WAT1 ATOM 4735 OH2 TIP3 919 24.930 -23.939 5.006 0.00 0.00 WAT1 ATOM 4736 H1 TIP3 919 25.077 -24.459 5.796 0.00 0.00 WAT1 ATOM 4737 H2 TIP3 919 24.927 -23.032 5.312 0.00 0.00 WAT1 ATOM 4738 OH2 TIP3 920 29.215 -34.024 15.795 0.00 0.00 WAT1 ATOM 4739 H1 TIP3 920 29.913 -33.950 16.445 0.00 0.00 WAT1 ATOM 4740 H2 TIP3 920 28.834 -34.888 15.950 0.00 0.00 WAT1 ATOM 4741 OH2 TIP3 921 27.668 -22.241 5.755 0.00 0.00 WAT1 ATOM 4742 H1 TIP3 921 26.851 -21.744 5.808 0.00 0.00 WAT1 ATOM 4743 H2 TIP3 921 28.197 -21.766 5.115 0.00 0.00 WAT1 ATOM 4744 OH2 TIP3 922 27.735 -31.658 16.912 0.00 0.00 WAT1 ATOM 4745 H1 TIP3 922 27.854 -31.084 17.669 0.00 0.00 WAT1 ATOM 4746 H2 TIP3 922 28.390 -32.346 17.027 0.00 0.00 WAT1 ATOM 4747 OH2 TIP3 923 25.006 -21.198 5.737 0.00 0.00 WAT1 ATOM 4748 H1 TIP3 923 25.167 -20.398 5.236 0.00 0.00 WAT1 ATOM 4749 H2 TIP3 923 24.809 -20.891 6.622 0.00 0.00 WAT1 ATOM 4750 OH2 TIP3 924 23.740 -34.500 5.353 0.00 0.00 WAT1 ATOM 4751 H1 TIP3 924 23.657 -33.611 5.699 0.00 0.00 WAT1 ATOM 4752 H2 TIP3 924 24.630 -34.765 5.584 0.00 0.00 WAT1 ATOM 4753 OH2 TIP3 925 20.315 -31.408 3.529 0.00 0.00 WAT1 ATOM 4754 H1 TIP3 925 20.270 -30.469 3.708 0.00 0.00 WAT1 ATOM 4755 H2 TIP3 925 19.427 -31.644 3.259 0.00 0.00 WAT1 ATOM 4756 OH2 TIP3 926 30.516 -22.774 20.042 0.00 0.00 WAT1 ATOM 4757 H1 TIP3 926 30.165 -23.630 20.285 0.00 0.00 WAT1 ATOM 4758 H2 TIP3 926 31.242 -22.631 20.649 0.00 0.00 WAT1 ATOM 4759 OH2 TIP3 927 24.028 -30.054 17.441 0.00 0.00 WAT1 ATOM 4760 H1 TIP3 927 23.410 -29.379 17.722 0.00 0.00 WAT1 ATOM 4761 H2 TIP3 927 24.372 -29.733 16.608 0.00 0.00 WAT1 ATOM 4762 OH2 TIP3 928 25.810 -29.704 3.348 0.00 0.00 WAT1 ATOM 4763 H1 TIP3 928 25.630 -29.858 2.420 0.00 0.00 WAT1 ATOM 4764 H2 TIP3 928 26.761 -29.596 3.392 0.00 0.00 WAT1 ATOM 4765 OH2 TIP3 929 29.048 -27.583 20.719 0.00 0.00 WAT1 ATOM 4766 H1 TIP3 929 30.001 -27.499 20.691 0.00 0.00 WAT1 ATOM 4767 H2 TIP3 929 28.888 -28.294 21.338 0.00 0.00 WAT1 ATOM 4768 OH2 TIP3 930 26.362 -28.890 16.256 0.00 0.00 WAT1 ATOM 4769 H1 TIP3 930 27.113 -29.046 15.683 0.00 0.00 WAT1 ATOM 4770 H2 TIP3 930 26.023 -28.038 15.980 0.00 0.00 WAT1 ATOM 4771 OH2 TIP3 931 26.850 -32.551 20.011 0.00 0.00 WAT1 ATOM 4772 H1 TIP3 931 26.614 -32.771 20.913 0.00 0.00 WAT1 ATOM 4773 H2 TIP3 931 26.067 -32.758 19.502 0.00 0.00 WAT1 ATOM 4774 OH2 TIP3 932 29.566 -33.424 19.087 0.00 0.00 WAT1 ATOM 4775 H1 TIP3 932 28.618 -33.392 19.219 0.00 0.00 WAT1 ATOM 4776 H2 TIP3 932 29.878 -34.049 19.741 0.00 0.00 WAT1 ATOM 4777 OH2 TIP3 933 25.708 -19.013 4.349 0.00 0.00 WAT1 ATOM 4778 H1 TIP3 933 26.641 -18.855 4.493 0.00 0.00 WAT1 ATOM 4779 H2 TIP3 933 25.444 -18.338 3.724 0.00 0.00 WAT1 ATOM 4780 OH2 TIP3 934 18.311 -34.988 7.321 0.00 0.00 WAT1 ATOM 4781 H1 TIP3 934 17.386 -34.779 7.191 0.00 0.00 WAT1 ATOM 4782 H2 TIP3 934 18.765 -34.504 6.631 0.00 0.00 WAT1 ATOM 4783 OH2 TIP3 935 27.732 -20.701 19.027 0.00 0.00 WAT1 ATOM 4784 H1 TIP3 935 27.917 -21.035 19.905 0.00 0.00 WAT1 ATOM 4785 H2 TIP3 935 28.579 -20.392 18.705 0.00 0.00 WAT1 ATOM 4786 OH2 TIP3 936 30.077 -19.416 18.271 0.00 0.00 WAT1 ATOM 4787 H1 TIP3 936 30.754 -20.048 18.031 0.00 0.00 WAT1 ATOM 4788 H2 TIP3 936 30.399 -19.014 19.079 0.00 0.00 WAT1 ATOM 4789 OH2 TIP3 937 23.290 -19.244 15.145 0.00 0.00 WAT1 ATOM 4790 H1 TIP3 937 22.425 -19.172 15.549 0.00 0.00 WAT1 ATOM 4791 H2 TIP3 937 23.235 -18.697 14.361 0.00 0.00 WAT1 ATOM 4792 OH2 TIP3 938 28.001 -19.356 14.321 0.00 0.00 WAT1 ATOM 4793 H1 TIP3 938 27.544 -18.827 13.667 0.00 0.00 WAT1 ATOM 4794 H2 TIP3 938 28.164 -18.753 15.046 0.00 0.00 WAT1 ATOM 4795 OH2 TIP3 939 24.916 -21.041 12.529 0.00 0.00 WAT1 ATOM 4796 H1 TIP3 939 25.129 -21.929 12.242 0.00 0.00 WAT1 ATOM 4797 H2 TIP3 939 24.981 -21.075 13.484 0.00 0.00 WAT1 ATOM 4798 OH2 TIP3 940 20.751 -36.743 9.496 0.00 0.00 WAT1 ATOM 4799 H1 TIP3 940 19.974 -36.977 8.988 0.00 0.00 WAT1 ATOM 4800 H2 TIP3 940 21.282 -37.540 9.504 0.00 0.00 WAT1 ATOM 4801 OH2 TIP3 941 21.307 -20.077 3.222 0.00 0.00 WAT1 ATOM 4802 H1 TIP3 941 21.039 -19.790 4.095 0.00 0.00 WAT1 ATOM 4803 H2 TIP3 941 22.078 -20.623 3.374 0.00 0.00 WAT1 ATOM 4804 OH2 TIP3 942 31.104 -37.546 20.731 0.00 0.00 WAT1 ATOM 4805 H1 TIP3 942 31.180 -37.972 21.585 0.00 0.00 WAT1 ATOM 4806 H2 TIP3 942 31.997 -37.532 20.389 0.00 0.00 WAT1 ATOM 4807 OH2 TIP3 943 22.055 -24.267 31.857 0.00 0.00 WAT1 ATOM 4808 H1 TIP3 943 21.685 -25.069 31.488 0.00 0.00 WAT1 ATOM 4809 H2 TIP3 943 22.996 -24.436 31.904 0.00 0.00 WAT1 ATOM 4810 OH2 TIP3 944 29.580 -20.288 30.243 0.00 0.00 WAT1 ATOM 4811 H1 TIP3 944 30.200 -20.965 29.970 0.00 0.00 WAT1 ATOM 4812 H2 TIP3 944 29.372 -20.506 31.151 0.00 0.00 WAT1 ATOM 4813 OH2 TIP3 945 25.224 -29.457 29.713 0.00 0.00 WAT1 ATOM 4814 H1 TIP3 945 25.840 -29.983 30.222 0.00 0.00 WAT1 ATOM 4815 H2 TIP3 945 24.638 -30.097 29.309 0.00 0.00 WAT1 ATOM 4816 OH2 TIP3 946 22.258 -34.486 33.809 0.00 0.00 WAT1 ATOM 4817 H1 TIP3 946 22.039 -33.956 33.043 0.00 0.00 WAT1 ATOM 4818 H2 TIP3 946 21.590 -34.259 34.457 0.00 0.00 WAT1 ATOM 4819 OH2 TIP3 947 24.827 -26.810 34.097 0.00 0.00 WAT1 ATOM 4820 H1 TIP3 947 24.087 -26.212 34.200 0.00 0.00 WAT1 ATOM 4821 H2 TIP3 947 25.541 -26.256 33.781 0.00 0.00 WAT1 ATOM 4822 OH2 TIP3 948 23.235 -24.846 34.884 0.00 0.00 WAT1 ATOM 4823 H1 TIP3 948 23.229 -23.967 34.506 0.00 0.00 WAT1 ATOM 4824 H2 TIP3 948 22.381 -24.929 35.309 0.00 0.00 WAT1 ATOM 4825 OH2 TIP3 949 26.284 -37.180 31.262 0.00 0.00 WAT1 ATOM 4826 H1 TIP3 949 26.167 -38.129 31.208 0.00 0.00 WAT1 ATOM 4827 H2 TIP3 949 25.429 -36.848 31.535 0.00 0.00 WAT1 ATOM 4828 OH2 TIP3 950 28.551 -28.343 25.762 0.00 0.00 WAT1 ATOM 4829 H1 TIP3 950 27.839 -27.808 25.411 0.00 0.00 WAT1 ATOM 4830 H2 TIP3 950 29.242 -28.287 25.102 0.00 0.00 WAT1 ATOM 4831 OH2 TIP3 951 28.605 -29.885 22.801 0.00 0.00 WAT1 ATOM 4832 H1 TIP3 951 29.306 -29.863 23.452 0.00 0.00 WAT1 ATOM 4833 H2 TIP3 951 28.907 -30.513 22.145 0.00 0.00 WAT1 ATOM 4834 OH2 TIP3 952 24.969 -24.075 31.278 0.00 0.00 WAT1 ATOM 4835 H1 TIP3 952 24.874 -24.653 30.521 0.00 0.00 WAT1 ATOM 4836 H2 TIP3 952 25.698 -24.446 31.774 0.00 0.00 WAT1 ATOM 4837 OH2 TIP3 953 23.969 -28.734 32.230 0.00 0.00 WAT1 ATOM 4838 H1 TIP3 953 24.534 -28.613 31.467 0.00 0.00 WAT1 ATOM 4839 H2 TIP3 953 24.288 -28.097 32.869 0.00 0.00 WAT1 ATOM 4840 OH2 TIP3 954 21.769 -28.137 36.176 0.00 0.00 WAT1 ATOM 4841 H1 TIP3 954 21.839 -27.486 36.874 0.00 0.00 WAT1 ATOM 4842 H2 TIP3 954 20.878 -28.034 35.841 0.00 0.00 WAT1 ATOM 4843 OH2 TIP3 955 23.088 -22.263 37.711 0.00 0.00 WAT1 ATOM 4844 H1 TIP3 955 23.096 -22.399 36.763 0.00 0.00 WAT1 ATOM 4845 H2 TIP3 955 22.172 -22.381 37.963 0.00 0.00 WAT1 ATOM 4846 OH2 TIP3 956 18.685 -26.070 35.001 0.00 0.00 WAT1 ATOM 4847 H1 TIP3 956 18.184 -26.098 34.186 0.00 0.00 WAT1 ATOM 4848 H2 TIP3 956 18.691 -26.976 35.311 0.00 0.00 WAT1 ATOM 4849 OH2 TIP3 957 28.026 -19.278 26.249 0.00 0.00 WAT1 ATOM 4850 H1 TIP3 957 27.951 -19.399 25.303 0.00 0.00 WAT1 ATOM 4851 H2 TIP3 957 28.059 -18.328 26.368 0.00 0.00 WAT1 ATOM 4852 OH2 TIP3 958 31.128 -20.124 23.252 0.00 0.00 WAT1 ATOM 4853 H1 TIP3 958 31.503 -20.868 22.781 0.00 0.00 WAT1 ATOM 4854 H2 TIP3 958 31.132 -20.394 24.170 0.00 0.00 WAT1 ATOM 4855 OH2 TIP3 959 20.934 -24.747 36.044 0.00 0.00 WAT1 ATOM 4856 H1 TIP3 959 21.151 -25.108 36.904 0.00 0.00 WAT1 ATOM 4857 H2 TIP3 959 20.079 -25.121 35.834 0.00 0.00 WAT1 ATOM 4858 OH2 TIP3 960 27.878 -34.062 22.699 0.00 0.00 WAT1 ATOM 4859 H1 TIP3 960 27.624 -34.043 23.622 0.00 0.00 WAT1 ATOM 4860 H2 TIP3 960 27.621 -34.934 22.398 0.00 0.00 WAT1 ATOM 4861 OH2 TIP3 961 23.644 -31.311 33.135 0.00 0.00 WAT1 ATOM 4862 H1 TIP3 961 23.002 -31.352 33.844 0.00 0.00 WAT1 ATOM 4863 H2 TIP3 961 23.681 -30.385 32.897 0.00 0.00 WAT1 ATOM 4864 OH2 TIP3 962 26.223 -33.663 29.133 0.00 0.00 WAT1 ATOM 4865 H1 TIP3 962 25.312 -33.606 29.422 0.00 0.00 WAT1 ATOM 4866 H2 TIP3 962 26.728 -33.723 29.944 0.00 0.00 WAT1 ATOM 4867 OH2 TIP3 963 24.704 -32.034 25.616 0.00 0.00 WAT1 ATOM 4868 H1 TIP3 963 25.636 -31.905 25.794 0.00 0.00 WAT1 ATOM 4869 H2 TIP3 963 24.489 -31.364 24.967 0.00 0.00 WAT1 ATOM 4870 OH2 TIP3 964 21.513 -26.282 38.282 0.00 0.00 WAT1 ATOM 4871 H1 TIP3 964 22.246 -26.028 38.843 0.00 0.00 WAT1 ATOM 4872 H2 TIP3 964 20.733 -26.078 38.797 0.00 0.00 WAT1 ATOM 4873 OH2 TIP3 965 27.543 -30.875 31.020 0.00 0.00 WAT1 ATOM 4874 H1 TIP3 965 28.107 -31.422 30.473 0.00 0.00 WAT1 ATOM 4875 H2 TIP3 965 27.395 -31.397 31.809 0.00 0.00 WAT1 ATOM 4876 OH2 TIP3 966 26.169 -32.487 33.434 0.00 0.00 WAT1 ATOM 4877 H1 TIP3 966 25.334 -32.033 33.544 0.00 0.00 WAT1 ATOM 4878 H2 TIP3 966 26.693 -32.211 34.186 0.00 0.00 WAT1 ATOM 4879 OH2 TIP3 967 26.713 -26.274 25.119 0.00 0.00 WAT1 ATOM 4880 H1 TIP3 967 25.969 -26.781 24.796 0.00 0.00 WAT1 ATOM 4881 H2 TIP3 967 26.579 -26.225 26.065 0.00 0.00 WAT1 ATOM 4882 OH2 TIP3 968 21.838 -26.979 30.888 0.00 0.00 WAT1 ATOM 4883 H1 TIP3 968 22.583 -26.981 30.287 0.00 0.00 WAT1 ATOM 4884 H2 TIP3 968 21.916 -27.803 31.370 0.00 0.00 WAT1 ATOM 4885 OH2 TIP3 969 28.839 -24.815 24.144 0.00 0.00 WAT1 ATOM 4886 H1 TIP3 969 28.544 -23.989 24.526 0.00 0.00 WAT1 ATOM 4887 H2 TIP3 969 28.136 -25.435 24.340 0.00 0.00 WAT1 ATOM 4888 OH2 TIP3 970 24.213 -23.461 28.293 0.00 0.00 WAT1 ATOM 4889 H1 TIP3 970 24.740 -22.688 28.092 0.00 0.00 WAT1 ATOM 4890 H2 TIP3 970 23.333 -23.236 27.991 0.00 0.00 WAT1 ATOM 4891 OH2 TIP3 971 25.640 -25.798 27.869 0.00 0.00 WAT1 ATOM 4892 H1 TIP3 971 25.399 -24.873 27.911 0.00 0.00 WAT1 ATOM 4893 H2 TIP3 971 24.900 -26.257 28.265 0.00 0.00 WAT1 ATOM 4894 OH2 TIP3 972 24.324 -20.776 27.414 0.00 0.00 WAT1 ATOM 4895 H1 TIP3 972 23.374 -20.671 27.466 0.00 0.00 WAT1 ATOM 4896 H2 TIP3 972 24.675 -19.956 27.759 0.00 0.00 WAT1 ATOM 4897 OH2 TIP3 973 20.480 -33.765 35.761 0.00 0.00 WAT1 ATOM 4898 H1 TIP3 973 19.587 -33.426 35.694 0.00 0.00 WAT1 ATOM 4899 H2 TIP3 973 20.381 -34.620 36.179 0.00 0.00 WAT1 ATOM 4900 OH2 TIP3 974 27.668 -22.241 24.611 0.00 0.00 WAT1 ATOM 4901 H1 TIP3 974 26.851 -21.744 24.664 0.00 0.00 WAT1 ATOM 4902 H2 TIP3 974 28.197 -21.766 23.971 0.00 0.00 WAT1 ATOM 4903 OH2 TIP3 975 27.199 -32.644 26.583 0.00 0.00 WAT1 ATOM 4904 H1 TIP3 975 28.011 -32.140 26.629 0.00 0.00 WAT1 ATOM 4905 H2 TIP3 975 26.954 -32.789 27.497 0.00 0.00 WAT1 ATOM 4906 OH2 TIP3 976 28.083 -35.563 27.521 0.00 0.00 WAT1 ATOM 4907 H1 TIP3 976 27.736 -34.945 28.166 0.00 0.00 WAT1 ATOM 4908 H2 TIP3 976 28.741 -35.062 27.040 0.00 0.00 WAT1 ATOM 4909 OH2 TIP3 977 23.939 -21.154 40.169 0.00 0.00 WAT1 ATOM 4910 H1 TIP3 977 24.707 -21.613 40.510 0.00 0.00 WAT1 ATOM 4911 H2 TIP3 977 23.918 -21.380 39.239 0.00 0.00 WAT1 ATOM 4912 OH2 TIP3 978 28.031 -21.646 21.544 0.00 0.00 WAT1 ATOM 4913 H1 TIP3 978 27.387 -22.277 21.866 0.00 0.00 WAT1 ATOM 4914 H2 TIP3 978 28.793 -22.177 21.312 0.00 0.00 WAT1 ATOM 4915 OH2 TIP3 979 19.249 -26.263 39.503 0.00 0.00 WAT1 ATOM 4916 H1 TIP3 979 19.393 -27.165 39.217 0.00 0.00 WAT1 ATOM 4917 H2 TIP3 979 18.476 -25.977 39.015 0.00 0.00 WAT1 ATOM 4918 OH2 TIP3 980 28.942 -24.872 21.371 0.00 0.00 WAT1 ATOM 4919 H1 TIP3 980 28.674 -24.692 22.272 0.00 0.00 WAT1 ATOM 4920 H2 TIP3 980 28.736 -25.798 21.240 0.00 0.00 WAT1 ATOM 4921 OH2 TIP3 981 20.081 -29.063 38.923 0.00 0.00 WAT1 ATOM 4922 H1 TIP3 981 20.489 -29.920 38.802 0.00 0.00 WAT1 ATOM 4923 H2 TIP3 981 19.821 -29.048 39.844 0.00 0.00 WAT1 ATOM 4924 OH2 TIP3 982 24.739 -27.947 23.941 0.00 0.00 WAT1 ATOM 4925 H1 TIP3 982 24.280 -28.431 24.627 0.00 0.00 WAT1 ATOM 4926 H2 TIP3 982 24.994 -28.615 23.305 0.00 0.00 WAT1 ATOM 4927 OH2 TIP3 983 24.028 -30.054 36.297 0.00 0.00 WAT1 ATOM 4928 H1 TIP3 983 23.410 -29.379 36.578 0.00 0.00 WAT1 ATOM 4929 H2 TIP3 983 24.372 -29.733 35.464 0.00 0.00 WAT1 ATOM 4930 OH2 TIP3 984 25.810 -29.704 22.204 0.00 0.00 WAT1 ATOM 4931 H1 TIP3 984 25.630 -29.858 21.276 0.00 0.00 WAT1 ATOM 4932 H2 TIP3 984 26.761 -29.596 22.248 0.00 0.00 WAT1 ATOM 4933 OH2 TIP3 985 24.368 -32.699 37.380 0.00 0.00 WAT1 ATOM 4934 H1 TIP3 985 24.518 -33.428 36.777 0.00 0.00 WAT1 ATOM 4935 H2 TIP3 985 24.370 -31.922 36.821 0.00 0.00 WAT1 ATOM 4936 OH2 TIP3 986 24.780 -34.329 34.872 0.00 0.00 WAT1 ATOM 4937 H1 TIP3 986 25.316 -33.878 34.220 0.00 0.00 WAT1 ATOM 4938 H2 TIP3 986 23.928 -34.437 34.450 0.00 0.00 WAT1 ATOM 4939 OH2 TIP3 987 22.846 -31.501 39.291 0.00 0.00 WAT1 ATOM 4940 H1 TIP3 987 22.079 -32.033 39.081 0.00 0.00 WAT1 ATOM 4941 H2 TIP3 987 23.525 -31.811 38.692 0.00 0.00 WAT1 ATOM 4942 OH2 TIP3 988 25.586 -36.873 35.304 0.00 0.00 WAT1 ATOM 4943 H1 TIP3 988 25.488 -35.926 35.198 0.00 0.00 WAT1 ATOM 4944 H2 TIP3 988 24.843 -37.245 34.828 0.00 0.00 WAT1 ATOM 4945 OH2 TIP3 989 26.850 -32.551 38.867 0.00 0.00 WAT1 ATOM 4946 H1 TIP3 989 26.614 -32.771 39.769 0.00 0.00 WAT1 ATOM 4947 H2 TIP3 989 26.067 -32.758 38.358 0.00 0.00 WAT1 ATOM 4948 OH2 TIP3 990 25.808 -37.579 37.975 0.00 0.00 WAT1 ATOM 4949 H1 TIP3 990 26.520 -38.219 37.961 0.00 0.00 WAT1 ATOM 4950 H2 TIP3 990 25.707 -37.312 37.061 0.00 0.00 WAT1 ATOM 4951 OH2 TIP3 991 26.161 -35.896 40.029 0.00 0.00 WAT1 ATOM 4952 H1 TIP3 991 26.030 -36.372 39.208 0.00 0.00 WAT1 ATOM 4953 H2 TIP3 991 25.562 -35.152 39.973 0.00 0.00 WAT1 ATOM 4954 OH2 TIP3 992 20.467 -23.075 38.665 0.00 0.00 WAT1 ATOM 4955 H1 TIP3 992 19.646 -22.900 38.205 0.00 0.00 WAT1 ATOM 4956 H2 TIP3 992 20.215 -23.148 39.586 0.00 0.00 WAT1 ATOM 4957 OH2 TIP3 993 23.421 -22.100 34.924 0.00 0.00 WAT1 ATOM 4958 H1 TIP3 993 22.996 -21.291 34.641 0.00 0.00 WAT1 ATOM 4959 H2 TIP3 993 24.326 -22.015 34.622 0.00 0.00 WAT1 ATOM 4960 OH2 TIP3 994 23.290 -19.244 34.001 0.00 0.00 WAT1 ATOM 4961 H1 TIP3 994 22.425 -19.172 34.405 0.00 0.00 WAT1 ATOM 4962 H2 TIP3 994 23.235 -18.697 33.217 0.00 0.00 WAT1 ATOM 4963 OH2 TIP3 995 28.001 -19.356 33.177 0.00 0.00 WAT1 ATOM 4964 H1 TIP3 995 27.544 -18.827 32.523 0.00 0.00 WAT1 ATOM 4965 H2 TIP3 995 28.164 -18.753 33.902 0.00 0.00 WAT1 ATOM 4966 OH2 TIP3 996 24.916 -21.041 31.385 0.00 0.00 WAT1 ATOM 4967 H1 TIP3 996 25.129 -21.929 31.098 0.00 0.00 WAT1 ATOM 4968 H2 TIP3 996 24.981 -21.075 32.340 0.00 0.00 WAT1 ATOM 4969 OH2 TIP3 997 28.425 -35.377 30.530 0.00 0.00 WAT1 ATOM 4970 H1 TIP3 997 27.750 -36.006 30.785 0.00 0.00 WAT1 ATOM 4971 H2 TIP3 997 28.989 -35.861 29.927 0.00 0.00 WAT1 ATOM 4972 OH2 TIP3 998 26.475 -34.736 25.055 0.00 0.00 WAT1 ATOM 4973 H1 TIP3 998 26.653 -35.382 25.738 0.00 0.00 WAT1 ATOM 4974 H2 TIP3 998 26.421 -33.902 25.522 0.00 0.00 WAT1 ATOM 4975 OH2 TIP3 999 28.353 -19.787 23.450 0.00 0.00 WAT1 ATOM 4976 H1 TIP3 999 29.219 -19.421 23.272 0.00 0.00 WAT1 ATOM 4977 H2 TIP3 999 28.106 -20.227 22.637 0.00 0.00 WAT1 ATOM 4978 OH2 TIP3 1000 18.665 -30.607 46.106 0.00 0.00 WAT1 ATOM 4979 H1 TIP3 1000 18.217 -29.761 46.088 0.00 0.00 WAT1 ATOM 4980 H2 TIP3 1000 18.104 -31.187 45.591 0.00 0.00 WAT1 ATOM 4981 OH2 TIP3 1001 23.448 -33.404 48.591 0.00 0.00 WAT1 ATOM 4982 H1 TIP3 1001 23.491 -32.544 48.173 0.00 0.00 WAT1 ATOM 4983 H2 TIP3 1001 22.990 -33.956 47.958 0.00 0.00 WAT1 ATOM 4984 OH2 TIP3 1002 20.068 -31.007 49.353 0.00 0.00 WAT1 ATOM 4985 H1 TIP3 1002 20.722 -31.557 49.785 0.00 0.00 WAT1 ATOM 4986 H2 TIP3 1002 20.092 -31.281 48.437 0.00 0.00 WAT1 ATOM 4987 OH2 TIP3 1003 21.852 -32.594 50.618 0.00 0.00 WAT1 ATOM 4988 H1 TIP3 1003 22.465 -31.961 50.991 0.00 0.00 WAT1 ATOM 4989 H2 TIP3 1003 22.364 -33.066 49.961 0.00 0.00 WAT1 ATOM 4990 OH2 TIP3 1004 22.592 -28.433 45.042 0.00 0.00 WAT1 ATOM 4991 H1 TIP3 1004 22.300 -27.665 44.551 0.00 0.00 WAT1 ATOM 4992 H2 TIP3 1004 21.918 -29.093 44.879 0.00 0.00 WAT1 ATOM 4993 OH2 TIP3 1005 23.553 -36.277 50.896 0.00 0.00 WAT1 ATOM 4994 H1 TIP3 1005 22.692 -36.364 50.488 0.00 0.00 WAT1 ATOM 4995 H2 TIP3 1005 23.531 -35.421 51.323 0.00 0.00 WAT1 ATOM 4996 OH2 TIP3 1006 27.878 -34.062 41.555 0.00 0.00 WAT1 ATOM 4997 H1 TIP3 1006 27.624 -34.043 42.478 0.00 0.00 WAT1 ATOM 4998 H2 TIP3 1006 27.621 -34.934 41.254 0.00 0.00 WAT1 ATOM 4999 OH2 TIP3 1007 23.641 -31.090 46.903 0.00 0.00 WAT1 ATOM 5000 H1 TIP3 1007 22.748 -31.431 46.844 0.00 0.00 WAT1 ATOM 5001 H2 TIP3 1007 24.092 -31.467 46.147 0.00 0.00 WAT1 ATOM 5002 OH2 TIP3 1008 24.760 -33.617 40.656 0.00 0.00 WAT1 ATOM 5003 H1 TIP3 1008 24.329 -34.062 41.386 0.00 0.00 WAT1 ATOM 5004 H2 TIP3 1008 24.042 -33.245 40.144 0.00 0.00 WAT1 ATOM 5005 OH2 TIP3 1009 18.002 -33.875 47.708 0.00 0.00 WAT1 ATOM 5006 H1 TIP3 1009 18.633 -33.904 48.428 0.00 0.00 WAT1 ATOM 5007 H2 TIP3 1009 18.452 -34.300 46.978 0.00 0.00 WAT1 ATOM 5008 OH2 TIP3 1010 26.223 -33.663 47.989 0.00 0.00 WAT1 ATOM 5009 H1 TIP3 1010 25.312 -33.606 48.278 0.00 0.00 WAT1 ATOM 5010 H2 TIP3 1010 26.728 -33.723 48.800 0.00 0.00 WAT1 ATOM 5011 OH2 TIP3 1011 21.051 -32.034 46.816 0.00 0.00 WAT1 ATOM 5012 H1 TIP3 1011 20.162 -31.934 46.476 0.00 0.00 WAT1 ATOM 5013 H2 TIP3 1011 21.347 -32.876 46.470 0.00 0.00 WAT1 ATOM 5014 OH2 TIP3 1012 24.704 -32.034 44.472 0.00 0.00 WAT1 ATOM 5015 H1 TIP3 1012 25.636 -31.905 44.650 0.00 0.00 WAT1 ATOM 5016 H2 TIP3 1012 24.489 -31.364 43.823 0.00 0.00 WAT1 ATOM 5017 OH2 TIP3 1013 23.378 -30.839 42.039 0.00 0.00 WAT1 ATOM 5018 H1 TIP3 1013 22.836 -31.219 41.348 0.00 0.00 WAT1 ATOM 5019 H2 TIP3 1013 24.212 -30.645 41.610 0.00 0.00 WAT1 ATOM 5020 OH2 TIP3 1014 19.968 -28.599 41.736 0.00 0.00 WAT1 ATOM 5021 H1 TIP3 1014 20.584 -27.972 42.115 0.00 0.00 WAT1 ATOM 5022 H2 TIP3 1014 19.106 -28.283 42.007 0.00 0.00 WAT1 ATOM 5023 OH2 TIP3 1015 27.199 -32.644 45.439 0.00 0.00 WAT1 ATOM 5024 H1 TIP3 1015 28.011 -32.140 45.485 0.00 0.00 WAT1 ATOM 5025 H2 TIP3 1015 26.954 -32.789 46.353 0.00 0.00 WAT1 ATOM 5026 OH2 TIP3 1016 28.083 -35.563 46.377 0.00 0.00 WAT1 ATOM 5027 H1 TIP3 1016 27.736 -34.945 47.022 0.00 0.00 WAT1 ATOM 5028 H2 TIP3 1016 28.741 -35.062 45.896 0.00 0.00 WAT1 ATOM 5029 OH2 TIP3 1017 20.315 -31.408 41.241 0.00 0.00 WAT1 ATOM 5030 H1 TIP3 1017 20.270 -30.469 41.420 0.00 0.00 WAT1 ATOM 5031 H2 TIP3 1017 19.427 -31.644 40.971 0.00 0.00 WAT1 ATOM 5032 OH2 TIP3 1018 21.123 -36.626 49.914 0.00 0.00 WAT1 ATOM 5033 H1 TIP3 1018 20.894 -36.567 48.987 0.00 0.00 WAT1 ATOM 5034 H2 TIP3 1018 20.680 -37.418 50.221 0.00 0.00 WAT1 ATOM 5035 OH2 TIP3 1019 19.276 -24.377 41.544 0.00 0.00 WAT1 ATOM 5036 H1 TIP3 1019 20.190 -24.298 41.817 0.00 0.00 WAT1 ATOM 5037 H2 TIP3 1019 19.283 -25.064 40.877 0.00 0.00 WAT1 ATOM 5038 OH2 TIP3 1020 19.694 -34.245 49.909 0.00 0.00 WAT1 ATOM 5039 H1 TIP3 1020 20.139 -35.037 50.211 0.00 0.00 WAT1 ATOM 5040 H2 TIP3 1020 20.160 -33.529 50.340 0.00 0.00 WAT1 ATOM 5041 OH2 TIP3 1021 17.998 -31.246 50.978 0.00 0.00 WAT1 ATOM 5042 H1 TIP3 1021 18.490 -31.467 50.188 0.00 0.00 WAT1 ATOM 5043 H2 TIP3 1021 18.360 -30.405 51.259 0.00 0.00 WAT1 ATOM 5044 OH2 TIP3 1022 25.331 -36.816 47.021 0.00 0.00 WAT1 ATOM 5045 H1 TIP3 1022 26.205 -36.428 46.991 0.00 0.00 WAT1 ATOM 5046 H2 TIP3 1022 25.195 -37.031 47.944 0.00 0.00 WAT1 ATOM 5047 OH2 TIP3 1023 26.475 -34.736 43.911 0.00 0.00 WAT1 ATOM 5048 H1 TIP3 1023 26.653 -35.382 44.594 0.00 0.00 WAT1 ATOM 5049 H2 TIP3 1023 26.421 -33.902 44.378 0.00 0.00 WAT1 ATOM 5050 OH2 TIP3 1024 21.307 -20.077 40.934 0.00 0.00 WAT1 ATOM 5051 H1 TIP3 1024 21.039 -19.790 41.807 0.00 0.00 WAT1 ATOM 5052 H2 TIP3 1024 22.078 -20.623 41.086 0.00 0.00 WAT1 ATOM 5053 OH2 TIP3 1025 22.258 -15.630 -3.903 0.00 0.00 WAT1 ATOM 5054 H1 TIP3 1025 22.039 -15.100 -4.669 0.00 0.00 WAT1 ATOM 5055 H2 TIP3 1025 21.590 -15.403 -3.255 0.00 0.00 WAT1 ATOM 5056 OH2 TIP3 1026 20.480 -14.909 -1.951 0.00 0.00 WAT1 ATOM 5057 H1 TIP3 1026 19.587 -14.570 -2.018 0.00 0.00 WAT1 ATOM 5058 H2 TIP3 1026 20.381 -15.764 -1.533 0.00 0.00 WAT1 ATOM 5059 OH2 TIP3 1027 21.123 -17.770 -6.654 0.00 0.00 WAT1 ATOM 5060 H1 TIP3 1027 20.894 -17.711 -7.581 0.00 0.00 WAT1 ATOM 5061 H2 TIP3 1027 20.680 -18.562 -6.347 0.00 0.00 WAT1 ATOM 5062 OH2 TIP3 1028 20.081 -10.207 1.211 0.00 0.00 WAT1 ATOM 5063 H1 TIP3 1028 20.489 -11.064 1.090 0.00 0.00 WAT1 ATOM 5064 H2 TIP3 1028 19.821 -10.192 2.132 0.00 0.00 WAT1 ATOM 5065 OH2 TIP3 1029 22.846 -12.645 1.579 0.00 0.00 WAT1 ATOM 5066 H1 TIP3 1029 22.079 -13.177 1.369 0.00 0.00 WAT1 ATOM 5067 H2 TIP3 1029 23.525 -12.955 0.980 0.00 0.00 WAT1 ATOM 5068 OH2 TIP3 1030 21.027 -14.724 1.284 0.00 0.00 WAT1 ATOM 5069 H1 TIP3 1030 21.238 -15.431 0.673 0.00 0.00 WAT1 ATOM 5070 H2 TIP3 1030 20.915 -15.162 2.128 0.00 0.00 WAT1 ATOM 5071 OH2 TIP3 1031 18.473 -13.701 0.450 0.00 0.00 WAT1 ATOM 5072 H1 TIP3 1031 19.392 -13.823 0.686 0.00 0.00 WAT1 ATOM 5073 H2 TIP3 1031 18.023 -14.451 0.839 0.00 0.00 WAT1 ATOM 5074 OH2 TIP3 1032 19.694 -15.389 -6.659 0.00 0.00 WAT1 ATOM 5075 H1 TIP3 1032 20.139 -16.181 -6.357 0.00 0.00 WAT1 ATOM 5076 H2 TIP3 1032 20.160 -14.673 -6.228 0.00 0.00 WAT1 ATOM 5077 OH2 TIP3 1033 20.709 -17.373 0.157 0.00 0.00 WAT1 ATOM 5078 H1 TIP3 1033 20.343 -18.138 0.600 0.00 0.00 WAT1 ATOM 5079 H2 TIP3 1033 21.622 -17.344 0.444 0.00 0.00 WAT1 ATOM 5080 OH2 TIP3 1034 22.682 -18.022 1.693 0.00 0.00 WAT1 ATOM 5081 H1 TIP3 1034 23.581 -18.296 1.508 0.00 0.00 WAT1 ATOM 5082 H2 TIP3 1034 22.296 -18.765 2.157 0.00 0.00 WAT1 ATOM 5083 OH2 TIP3 1035 21.131 -9.861 14.466 0.00 0.00 WAT1 ATOM 5084 H1 TIP3 1035 21.173 -10.487 15.190 0.00 0.00 WAT1 ATOM 5085 H2 TIP3 1035 21.834 -9.238 14.648 0.00 0.00 WAT1 ATOM 5086 OH2 TIP3 1036 18.665 -11.751 8.394 0.00 0.00 WAT1 ATOM 5087 H1 TIP3 1036 18.217 -10.905 8.376 0.00 0.00 WAT1 ATOM 5088 H2 TIP3 1036 18.104 -12.331 7.879 0.00 0.00 WAT1 ATOM 5089 OH2 TIP3 1037 19.375 -9.589 10.520 0.00 0.00 WAT1 ATOM 5090 H1 TIP3 1037 19.589 -10.359 11.047 0.00 0.00 WAT1 ATOM 5091 H2 TIP3 1037 20.113 -9.500 9.917 0.00 0.00 WAT1 ATOM 5092 OH2 TIP3 1038 23.448 -14.548 10.879 0.00 0.00 WAT1 ATOM 5093 H1 TIP3 1038 23.491 -13.688 10.461 0.00 0.00 WAT1 ATOM 5094 H2 TIP3 1038 22.990 -15.100 10.246 0.00 0.00 WAT1 ATOM 5095 OH2 TIP3 1039 20.068 -12.151 11.641 0.00 0.00 WAT1 ATOM 5096 H1 TIP3 1039 20.722 -12.701 12.073 0.00 0.00 WAT1 ATOM 5097 H2 TIP3 1039 20.092 -12.425 10.725 0.00 0.00 WAT1 ATOM 5098 OH2 TIP3 1040 22.258 -15.630 14.953 0.00 0.00 WAT1 ATOM 5099 H1 TIP3 1040 22.039 -15.100 14.187 0.00 0.00 WAT1 ATOM 5100 H2 TIP3 1040 21.590 -15.403 15.601 0.00 0.00 WAT1 ATOM 5101 OH2 TIP3 1041 21.852 -13.738 12.906 0.00 0.00 WAT1 ATOM 5102 H1 TIP3 1041 22.465 -13.105 13.279 0.00 0.00 WAT1 ATOM 5103 H2 TIP3 1041 22.364 -14.210 12.249 0.00 0.00 WAT1 ATOM 5104 OH2 TIP3 1042 26.284 -18.324 12.406 0.00 0.00 WAT1 ATOM 5105 H1 TIP3 1042 26.167 -19.273 12.352 0.00 0.00 WAT1 ATOM 5106 H2 TIP3 1042 25.429 -17.992 12.679 0.00 0.00 WAT1 ATOM 5107 OH2 TIP3 1043 21.769 -9.281 17.320 0.00 0.00 WAT1 ATOM 5108 H1 TIP3 1043 21.839 -8.630 18.018 0.00 0.00 WAT1 ATOM 5109 H2 TIP3 1043 20.878 -9.178 16.985 0.00 0.00 WAT1 ATOM 5110 OH2 TIP3 1044 18.685 -7.214 16.145 0.00 0.00 WAT1 ATOM 5111 H1 TIP3 1044 18.184 -7.242 15.330 0.00 0.00 WAT1 ATOM 5112 H2 TIP3 1044 18.691 -8.120 16.455 0.00 0.00 WAT1 ATOM 5113 OH2 TIP3 1045 20.934 -5.891 17.188 0.00 0.00 WAT1 ATOM 5114 H1 TIP3 1045 21.151 -6.252 18.048 0.00 0.00 WAT1 ATOM 5115 H2 TIP3 1045 20.079 -6.265 16.978 0.00 0.00 WAT1 ATOM 5116 OH2 TIP3 1046 23.553 -17.421 13.184 0.00 0.00 WAT1 ATOM 5117 H1 TIP3 1046 22.692 -17.508 12.776 0.00 0.00 WAT1 ATOM 5118 H2 TIP3 1046 23.531 -16.565 13.611 0.00 0.00 WAT1 ATOM 5119 OH2 TIP3 1047 28.216 -17.699 16.558 0.00 0.00 WAT1 ATOM 5120 H1 TIP3 1047 28.636 -18.114 17.311 0.00 0.00 WAT1 ATOM 5121 H2 TIP3 1047 27.283 -17.877 16.675 0.00 0.00 WAT1 ATOM 5122 OH2 TIP3 1048 31.542 -13.943 17.412 0.00 0.00 WAT1 ATOM 5123 H1 TIP3 1048 31.028 -14.069 18.209 0.00 0.00 WAT1 ATOM 5124 H2 TIP3 1048 31.387 -13.031 17.167 0.00 0.00 WAT1 ATOM 5125 OH2 TIP3 1049 23.644 -12.455 14.279 0.00 0.00 WAT1 ATOM 5126 H1 TIP3 1049 23.002 -12.496 14.988 0.00 0.00 WAT1 ATOM 5127 H2 TIP3 1049 23.681 -11.529 14.041 0.00 0.00 WAT1 ATOM 5128 OH2 TIP3 1050 23.641 -12.234 9.191 0.00 0.00 WAT1 ATOM 5129 H1 TIP3 1050 22.748 -12.575 9.132 0.00 0.00 WAT1 ATOM 5130 H2 TIP3 1050 24.092 -12.611 8.435 0.00 0.00 WAT1 ATOM 5131 OH2 TIP3 1051 28.279 -11.643 19.496 0.00 0.00 WAT1 ATOM 5132 H1 TIP3 1051 27.716 -12.347 19.816 0.00 0.00 WAT1 ATOM 5133 H2 TIP3 1051 29.105 -11.763 19.963 0.00 0.00 WAT1 ATOM 5134 OH2 TIP3 1052 21.394 -12.135 16.146 0.00 0.00 WAT1 ATOM 5135 H1 TIP3 1052 21.356 -11.735 17.014 0.00 0.00 WAT1 ATOM 5136 H2 TIP3 1052 20.903 -12.952 16.236 0.00 0.00 WAT1 ATOM 5137 OH2 TIP3 1053 21.051 -13.178 9.104 0.00 0.00 WAT1 ATOM 5138 H1 TIP3 1053 20.162 -13.078 8.764 0.00 0.00 WAT1 ATOM 5139 H2 TIP3 1053 21.347 -14.020 8.758 0.00 0.00 WAT1 ATOM 5140 OH2 TIP3 1054 24.704 -13.178 6.760 0.00 0.00 WAT1 ATOM 5141 H1 TIP3 1054 25.636 -13.049 6.938 0.00 0.00 WAT1 ATOM 5142 H2 TIP3 1054 24.489 -12.508 6.111 0.00 0.00 WAT1 ATOM 5143 OH2 TIP3 1055 23.378 -11.983 4.327 0.00 0.00 WAT1 ATOM 5144 H1 TIP3 1055 22.836 -12.363 3.636 0.00 0.00 WAT1 ATOM 5145 H2 TIP3 1055 24.212 -11.789 3.898 0.00 0.00 WAT1 ATOM 5146 OH2 TIP3 1056 21.513 -7.426 19.426 0.00 0.00 WAT1 ATOM 5147 H1 TIP3 1056 22.246 -7.172 19.987 0.00 0.00 WAT1 ATOM 5148 H2 TIP3 1056 20.733 -7.222 19.941 0.00 0.00 WAT1 ATOM 5149 OH2 TIP3 1057 22.545 -15.883 8.582 0.00 0.00 WAT1 ATOM 5150 H1 TIP3 1057 22.228 -16.785 8.547 0.00 0.00 WAT1 ATOM 5151 H2 TIP3 1057 23.326 -15.881 8.030 0.00 0.00 WAT1 ATOM 5152 OH2 TIP3 1058 26.169 -13.631 14.578 0.00 0.00 WAT1 ATOM 5153 H1 TIP3 1058 25.334 -13.177 14.688 0.00 0.00 WAT1 ATOM 5154 H2 TIP3 1058 26.693 -13.355 15.330 0.00 0.00 WAT1 ATOM 5155 OH2 TIP3 1059 18.846 -9.662 17.347 0.00 0.00 WAT1 ATOM 5156 H1 TIP3 1059 19.069 -10.080 18.179 0.00 0.00 WAT1 ATOM 5157 H2 TIP3 1059 18.244 -10.275 16.925 0.00 0.00 WAT1 ATOM 5158 OH2 TIP3 1060 25.863 -10.145 19.560 0.00 0.00 WAT1 ATOM 5159 H1 TIP3 1060 25.567 -10.311 18.665 0.00 0.00 WAT1 ATOM 5160 H2 TIP3 1060 26.794 -10.365 19.550 0.00 0.00 WAT1 ATOM 5161 OH2 TIP3 1061 19.968 -9.743 4.024 0.00 0.00 WAT1 ATOM 5162 H1 TIP3 1061 20.584 -9.116 4.403 0.00 0.00 WAT1 ATOM 5163 H2 TIP3 1061 19.106 -9.427 4.295 0.00 0.00 WAT1 ATOM 5164 OH2 TIP3 1062 20.480 -14.909 16.905 0.00 0.00 WAT1 ATOM 5165 H1 TIP3 1062 19.587 -14.570 16.838 0.00 0.00 WAT1 ATOM 5166 H2 TIP3 1062 20.381 -15.764 17.323 0.00 0.00 WAT1 ATOM 5167 OH2 TIP3 1063 29.215 -15.168 15.795 0.00 0.00 WAT1 ATOM 5168 H1 TIP3 1063 29.913 -15.094 16.445 0.00 0.00 WAT1 ATOM 5169 H2 TIP3 1063 28.834 -16.032 15.950 0.00 0.00 WAT1 ATOM 5170 OH2 TIP3 1064 27.735 -12.802 16.912 0.00 0.00 WAT1 ATOM 5171 H1 TIP3 1064 27.854 -12.228 17.669 0.00 0.00 WAT1 ATOM 5172 H2 TIP3 1064 28.390 -13.490 17.027 0.00 0.00 WAT1 ATOM 5173 OH2 TIP3 1065 23.740 -15.644 5.353 0.00 0.00 WAT1 ATOM 5174 H1 TIP3 1065 23.657 -14.755 5.699 0.00 0.00 WAT1 ATOM 5175 H2 TIP3 1065 24.630 -15.909 5.584 0.00 0.00 WAT1 ATOM 5176 OH2 TIP3 1066 20.315 -12.552 3.529 0.00 0.00 WAT1 ATOM 5177 H1 TIP3 1066 20.270 -11.613 3.708 0.00 0.00 WAT1 ATOM 5178 H2 TIP3 1066 19.427 -12.788 3.259 0.00 0.00 WAT1 ATOM 5179 OH2 TIP3 1067 21.123 -17.770 12.202 0.00 0.00 WAT1 ATOM 5180 H1 TIP3 1067 20.894 -17.711 11.275 0.00 0.00 WAT1 ATOM 5181 H2 TIP3 1067 20.680 -18.562 12.509 0.00 0.00 WAT1 ATOM 5182 OH2 TIP3 1068 19.249 -7.407 20.647 0.00 0.00 WAT1 ATOM 5183 H1 TIP3 1068 19.393 -8.309 20.361 0.00 0.00 WAT1 ATOM 5184 H2 TIP3 1068 18.476 -7.121 20.159 0.00 0.00 WAT1 ATOM 5185 OH2 TIP3 1069 25.904 -7.437 20.080 0.00 0.00 WAT1 ATOM 5186 H1 TIP3 1069 25.576 -7.166 19.222 0.00 0.00 WAT1 ATOM 5187 H2 TIP3 1069 26.056 -8.378 19.992 0.00 0.00 WAT1 ATOM 5188 OH2 TIP3 1070 24.028 -11.198 17.441 0.00 0.00 WAT1 ATOM 5189 H1 TIP3 1070 23.410 -10.523 17.722 0.00 0.00 WAT1 ATOM 5190 H2 TIP3 1070 24.372 -10.877 16.608 0.00 0.00 WAT1 ATOM 5191 OH2 TIP3 1071 29.048 -8.727 20.719 0.00 0.00 WAT1 ATOM 5192 H1 TIP3 1071 30.001 -8.643 20.691 0.00 0.00 WAT1 ATOM 5193 H2 TIP3 1071 28.888 -9.438 21.338 0.00 0.00 WAT1 ATOM 5194 OH2 TIP3 1072 24.780 -15.473 16.016 0.00 0.00 WAT1 ATOM 5195 H1 TIP3 1072 25.316 -15.022 15.364 0.00 0.00 WAT1 ATOM 5196 H2 TIP3 1072 23.928 -15.581 15.594 0.00 0.00 WAT1 ATOM 5197 OH2 TIP3 1073 26.362 -10.034 16.256 0.00 0.00 WAT1 ATOM 5198 H1 TIP3 1073 27.113 -10.190 15.683 0.00 0.00 WAT1 ATOM 5199 H2 TIP3 1073 26.023 -9.182 15.980 0.00 0.00 WAT1 ATOM 5200 OH2 TIP3 1074 30.778 -12.219 21.284 0.00 0.00 WAT1 ATOM 5201 H1 TIP3 1074 30.970 -13.150 21.173 0.00 0.00 WAT1 ATOM 5202 H2 TIP3 1074 31.635 -11.794 21.274 0.00 0.00 WAT1 ATOM 5203 OH2 TIP3 1075 29.566 -14.568 19.087 0.00 0.00 WAT1 ATOM 5204 H1 TIP3 1075 28.618 -14.536 19.219 0.00 0.00 WAT1 ATOM 5205 H2 TIP3 1075 29.878 -15.193 19.741 0.00 0.00 WAT1 ATOM 5206 OH2 TIP3 1076 31.200 -15.934 21.092 0.00 0.00 WAT1 ATOM 5207 H1 TIP3 1076 31.103 -16.886 21.086 0.00 0.00 WAT1 ATOM 5208 H2 TIP3 1076 30.878 -15.665 21.953 0.00 0.00 WAT1 ATOM 5209 OH2 TIP3 1077 18.875 -8.972 13.165 0.00 0.00 WAT1 ATOM 5210 H1 TIP3 1077 19.059 -9.054 12.230 0.00 0.00 WAT1 ATOM 5211 H2 TIP3 1077 19.724 -9.096 13.589 0.00 0.00 WAT1 ATOM 5212 OH2 TIP3 1078 17.998 -12.390 13.266 0.00 0.00 WAT1 ATOM 5213 H1 TIP3 1078 18.490 -12.611 12.476 0.00 0.00 WAT1 ATOM 5214 H2 TIP3 1078 18.360 -11.549 13.547 0.00 0.00 WAT1 ATOM 5215 OH2 TIP3 1079 20.467 -4.219 19.809 0.00 0.00 WAT1 ATOM 5216 H1 TIP3 1079 19.646 -4.044 19.349 0.00 0.00 WAT1 ATOM 5217 H2 TIP3 1079 20.215 -4.292 20.730 0.00 0.00 WAT1 ATOM 5218 OH2 TIP3 1080 25.331 -17.960 9.309 0.00 0.00 WAT1 ATOM 5219 H1 TIP3 1080 26.205 -17.572 9.279 0.00 0.00 WAT1 ATOM 5220 H2 TIP3 1080 25.195 -18.175 10.232 0.00 0.00 WAT1 ATOM 5221 OH2 TIP3 1081 21.449 -16.173 3.742 0.00 0.00 WAT1 ATOM 5222 H1 TIP3 1081 21.940 -16.803 3.214 0.00 0.00 WAT1 ATOM 5223 H2 TIP3 1081 22.072 -15.877 4.405 0.00 0.00 WAT1 ATOM 5224 OH2 TIP3 1082 26.475 -15.880 6.199 0.00 0.00 WAT1 ATOM 5225 H1 TIP3 1082 26.653 -16.526 6.882 0.00 0.00 WAT1 ATOM 5226 H2 TIP3 1082 26.421 -15.046 6.666 0.00 0.00 WAT1 ATOM 5227 OH2 TIP3 1083 31.104 -18.690 20.731 0.00 0.00 WAT1 ATOM 5228 H1 TIP3 1083 31.180 -19.116 21.585 0.00 0.00 WAT1 ATOM 5229 H2 TIP3 1083 31.997 -18.676 20.389 0.00 0.00 WAT1 ATOM 5230 OH2 TIP3 1084 29.830 -8.731 28.310 0.00 0.00 WAT1 ATOM 5231 H1 TIP3 1084 29.919 -7.787 28.178 0.00 0.00 WAT1 ATOM 5232 H2 TIP3 1084 29.191 -9.006 27.652 0.00 0.00 WAT1 ATOM 5233 OH2 TIP3 1085 28.763 -9.476 31.729 0.00 0.00 WAT1 ATOM 5234 H1 TIP3 1085 28.725 -10.122 32.434 0.00 0.00 WAT1 ATOM 5235 H2 TIP3 1085 28.440 -9.942 30.958 0.00 0.00 WAT1 ATOM 5236 OH2 TIP3 1086 22.055 -5.411 31.857 0.00 0.00 WAT1 ATOM 5237 H1 TIP3 1086 21.685 -6.213 31.488 0.00 0.00 WAT1 ATOM 5238 H2 TIP3 1086 22.996 -5.580 31.904 0.00 0.00 WAT1 ATOM 5239 OH2 TIP3 1087 27.152 -7.043 32.135 0.00 0.00 WAT1 ATOM 5240 H1 TIP3 1087 27.456 -7.729 31.541 0.00 0.00 WAT1 ATOM 5241 H2 TIP3 1087 27.874 -6.925 32.753 0.00 0.00 WAT1 ATOM 5242 OH2 TIP3 1088 31.170 -14.417 28.136 0.00 0.00 WAT1 ATOM 5243 H1 TIP3 1088 31.816 -14.746 28.761 0.00 0.00 WAT1 ATOM 5244 H2 TIP3 1088 31.680 -13.899 27.513 0.00 0.00 WAT1 ATOM 5245 OH2 TIP3 1089 24.827 -7.954 34.097 0.00 0.00 WAT1 ATOM 5246 H1 TIP3 1089 24.087 -7.356 34.200 0.00 0.00 WAT1 ATOM 5247 H2 TIP3 1089 25.541 -7.400 33.781 0.00 0.00 WAT1 ATOM 5248 OH2 TIP3 1090 32.934 -15.126 30.117 0.00 0.00 WAT1 ATOM 5249 H1 TIP3 1090 32.719 -15.892 30.649 0.00 0.00 WAT1 ATOM 5250 H2 TIP3 1090 33.590 -14.654 30.630 0.00 0.00 WAT1 ATOM 5251 OH2 TIP3 1091 23.235 -5.990 34.884 0.00 0.00 WAT1 ATOM 5252 H1 TIP3 1091 23.229 -5.111 34.506 0.00 0.00 WAT1 ATOM 5253 H2 TIP3 1091 22.381 -6.073 35.309 0.00 0.00 WAT1 ATOM 5254 OH2 TIP3 1092 19.356 -6.319 25.666 0.00 0.00 WAT1 ATOM 5255 H1 TIP3 1092 19.084 -6.090 24.777 0.00 0.00 WAT1 ATOM 5256 H2 TIP3 1092 19.401 -5.481 26.126 0.00 0.00 WAT1 ATOM 5257 OH2 TIP3 1093 33.281 -16.411 33.796 0.00 0.00 WAT1 ATOM 5258 H1 TIP3 1093 32.545 -15.800 33.758 0.00 0.00 WAT1 ATOM 5259 H2 TIP3 1093 33.965 -15.996 33.270 0.00 0.00 WAT1 ATOM 5260 OH2 TIP3 1094 26.284 -18.324 31.262 0.00 0.00 WAT1 ATOM 5261 H1 TIP3 1094 26.167 -19.273 31.208 0.00 0.00 WAT1 ATOM 5262 H2 TIP3 1094 25.429 -17.992 31.535 0.00 0.00 WAT1 ATOM 5263 OH2 TIP3 1095 28.551 -9.487 25.762 0.00 0.00 WAT1 ATOM 5264 H1 TIP3 1095 27.839 -8.952 25.411 0.00 0.00 WAT1 ATOM 5265 H2 TIP3 1095 29.242 -9.431 25.102 0.00 0.00 WAT1 ATOM 5266 OH2 TIP3 1096 28.605 -11.029 22.801 0.00 0.00 WAT1 ATOM 5267 H1 TIP3 1096 29.306 -11.007 23.452 0.00 0.00 WAT1 ATOM 5268 H2 TIP3 1096 28.907 -11.657 22.145 0.00 0.00 WAT1 ATOM 5269 OH2 TIP3 1097 31.957 -9.277 26.714 0.00 0.00 WAT1 ATOM 5270 H1 TIP3 1097 31.225 -9.049 27.287 0.00 0.00 WAT1 ATOM 5271 H2 TIP3 1097 32.404 -9.991 27.169 0.00 0.00 WAT1 ATOM 5272 OH2 TIP3 1098 31.854 -11.103 35.782 0.00 0.00 WAT1 ATOM 5273 H1 TIP3 1098 31.934 -10.340 36.354 0.00 0.00 WAT1 ATOM 5274 H2 TIP3 1098 31.253 -10.824 35.091 0.00 0.00 WAT1 ATOM 5275 OH2 TIP3 1099 24.969 -5.219 31.278 0.00 0.00 WAT1 ATOM 5276 H1 TIP3 1099 24.874 -5.797 30.521 0.00 0.00 WAT1 ATOM 5277 H2 TIP3 1099 25.698 -5.590 31.774 0.00 0.00 WAT1 ATOM 5278 OH2 TIP3 1100 30.828 -10.115 24.399 0.00 0.00 WAT1 ATOM 5279 H1 TIP3 1100 31.407 -9.965 25.146 0.00 0.00 WAT1 ATOM 5280 H2 TIP3 1100 31.242 -9.644 23.676 0.00 0.00 WAT1 ATOM 5281 OH2 TIP3 1101 21.769 -9.281 36.176 0.00 0.00 WAT1 ATOM 5282 H1 TIP3 1101 21.839 -8.630 36.874 0.00 0.00 WAT1 ATOM 5283 H2 TIP3 1101 20.878 -9.178 35.841 0.00 0.00 WAT1 ATOM 5284 OH2 TIP3 1102 18.685 -7.214 35.001 0.00 0.00 WAT1 ATOM 5285 H1 TIP3 1102 18.184 -7.242 34.186 0.00 0.00 WAT1 ATOM 5286 H2 TIP3 1102 18.691 -8.120 35.311 0.00 0.00 WAT1 ATOM 5287 OH2 TIP3 1103 18.436 -4.434 31.885 0.00 0.00 WAT1 ATOM 5288 H1 TIP3 1103 19.382 -4.578 31.866 0.00 0.00 WAT1 ATOM 5289 H2 TIP3 1103 18.323 -3.650 32.422 0.00 0.00 WAT1 ATOM 5290 OH2 TIP3 1104 20.934 -5.891 36.044 0.00 0.00 WAT1 ATOM 5291 H1 TIP3 1104 21.151 -6.252 36.904 0.00 0.00 WAT1 ATOM 5292 H2 TIP3 1104 20.079 -6.265 35.834 0.00 0.00 WAT1 ATOM 5293 OH2 TIP3 1105 28.216 -17.699 35.414 0.00 0.00 WAT1 ATOM 5294 H1 TIP3 1105 28.636 -18.114 36.167 0.00 0.00 WAT1 ATOM 5295 H2 TIP3 1105 27.283 -17.877 35.531 0.00 0.00 WAT1 ATOM 5296 OH2 TIP3 1106 31.542 -13.943 36.268 0.00 0.00 WAT1 ATOM 5297 H1 TIP3 1106 31.028 -14.069 37.065 0.00 0.00 WAT1 ATOM 5298 H2 TIP3 1106 31.387 -13.031 36.023 0.00 0.00 WAT1 ATOM 5299 OH2 TIP3 1107 29.177 -11.818 26.864 0.00 0.00 WAT1 ATOM 5300 H1 TIP3 1107 28.768 -11.003 26.572 0.00 0.00 WAT1 ATOM 5301 H2 TIP3 1107 29.897 -11.958 26.249 0.00 0.00 WAT1 ATOM 5302 OH2 TIP3 1108 28.279 -11.643 38.352 0.00 0.00 WAT1 ATOM 5303 H1 TIP3 1108 27.716 -12.347 38.672 0.00 0.00 WAT1 ATOM 5304 H2 TIP3 1108 29.105 -11.763 38.819 0.00 0.00 WAT1 ATOM 5305 OH2 TIP3 1109 29.445 -10.734 34.349 0.00 0.00 WAT1 ATOM 5306 H1 TIP3 1109 29.769 -11.365 33.706 0.00 0.00 WAT1 ATOM 5307 H2 TIP3 1109 29.005 -11.269 35.010 0.00 0.00 WAT1 ATOM 5308 OH2 TIP3 1110 30.628 -15.572 32.397 0.00 0.00 WAT1 ATOM 5309 H1 TIP3 1110 29.951 -15.441 33.061 0.00 0.00 WAT1 ATOM 5310 H2 TIP3 1110 30.142 -15.727 31.587 0.00 0.00 WAT1 ATOM 5311 OH2 TIP3 1111 21.513 -7.426 38.282 0.00 0.00 WAT1 ATOM 5312 H1 TIP3 1111 22.246 -7.172 38.843 0.00 0.00 WAT1 ATOM 5313 H2 TIP3 1111 20.733 -7.222 38.797 0.00 0.00 WAT1 ATOM 5314 OH2 TIP3 1112 26.713 -7.418 25.119 0.00 0.00 WAT1 ATOM 5315 H1 TIP3 1112 25.969 -7.925 24.796 0.00 0.00 WAT1 ATOM 5316 H2 TIP3 1112 26.579 -7.369 26.065 0.00 0.00 WAT1 ATOM 5317 OH2 TIP3 1113 30.611 -14.604 23.318 0.00 0.00 WAT1 ATOM 5318 H1 TIP3 1113 29.673 -14.492 23.167 0.00 0.00 WAT1 ATOM 5319 H2 TIP3 1113 30.908 -13.747 23.624 0.00 0.00 WAT1 ATOM 5320 OH2 TIP3 1114 31.329 -12.737 24.979 0.00 0.00 WAT1 ATOM 5321 H1 TIP3 1114 32.221 -12.874 25.298 0.00 0.00 WAT1 ATOM 5322 H2 TIP3 1114 31.386 -11.946 24.442 0.00 0.00 WAT1 ATOM 5323 OH2 TIP3 1115 28.839 -5.959 24.144 0.00 0.00 WAT1 ATOM 5324 H1 TIP3 1115 28.544 -5.133 24.526 0.00 0.00 WAT1 ATOM 5325 H2 TIP3 1115 28.136 -6.579 24.340 0.00 0.00 WAT1 ATOM 5326 OH2 TIP3 1116 18.846 -9.662 36.203 0.00 0.00 WAT1 ATOM 5327 H1 TIP3 1116 19.069 -10.080 37.035 0.00 0.00 WAT1 ATOM 5328 H2 TIP3 1116 18.244 -10.275 35.781 0.00 0.00 WAT1 ATOM 5329 OH2 TIP3 1117 25.863 -10.145 38.416 0.00 0.00 WAT1 ATOM 5330 H1 TIP3 1117 25.567 -10.311 37.521 0.00 0.00 WAT1 ATOM 5331 H2 TIP3 1117 26.794 -10.365 38.406 0.00 0.00 WAT1 ATOM 5332 OH2 TIP3 1118 31.670 -8.933 32.160 0.00 0.00 WAT1 ATOM 5333 H1 TIP3 1118 30.742 -9.165 32.133 0.00 0.00 WAT1 ATOM 5334 H2 TIP3 1118 32.121 -9.710 31.830 0.00 0.00 WAT1 ATOM 5335 OH2 TIP3 1119 24.213 -4.605 28.293 0.00 0.00 WAT1 ATOM 5336 H1 TIP3 1119 24.740 -3.832 28.092 0.00 0.00 WAT1 ATOM 5337 H2 TIP3 1119 23.333 -4.380 27.991 0.00 0.00 WAT1 ATOM 5338 OH2 TIP3 1120 25.640 -6.942 27.869 0.00 0.00 WAT1 ATOM 5339 H1 TIP3 1120 25.399 -6.017 27.911 0.00 0.00 WAT1 ATOM 5340 H2 TIP3 1120 24.900 -7.401 28.265 0.00 0.00 WAT1 ATOM 5341 OH2 TIP3 1121 29.699 -6.694 33.885 0.00 0.00 WAT1 ATOM 5342 H1 TIP3 1121 29.273 -6.921 34.711 0.00 0.00 WAT1 ATOM 5343 H2 TIP3 1121 30.280 -7.432 33.702 0.00 0.00 WAT1 ATOM 5344 OH2 TIP3 1122 25.993 -4.653 21.406 0.00 0.00 WAT1 ATOM 5345 H1 TIP3 1122 26.232 -5.401 20.858 0.00 0.00 WAT1 ATOM 5346 H2 TIP3 1122 25.724 -5.041 22.238 0.00 0.00 WAT1 ATOM 5347 OH2 TIP3 1123 24.930 -5.083 23.862 0.00 0.00 WAT1 ATOM 5348 H1 TIP3 1123 25.077 -5.603 24.652 0.00 0.00 WAT1 ATOM 5349 H2 TIP3 1123 24.927 -4.176 24.168 0.00 0.00 WAT1 ATOM 5350 OH2 TIP3 1124 29.215 -15.168 34.651 0.00 0.00 WAT1 ATOM 5351 H1 TIP3 1124 29.913 -15.094 35.301 0.00 0.00 WAT1 ATOM 5352 H2 TIP3 1124 28.834 -16.032 34.806 0.00 0.00 WAT1 ATOM 5353 OH2 TIP3 1125 29.999 -15.516 25.748 0.00 0.00 WAT1 ATOM 5354 H1 TIP3 1125 30.219 -15.044 24.945 0.00 0.00 WAT1 ATOM 5355 H2 TIP3 1125 30.557 -15.121 26.419 0.00 0.00 WAT1 ATOM 5356 OH2 TIP3 1126 27.735 -12.802 35.768 0.00 0.00 WAT1 ATOM 5357 H1 TIP3 1126 27.854 -12.228 36.525 0.00 0.00 WAT1 ATOM 5358 H2 TIP3 1126 28.390 -13.490 35.883 0.00 0.00 WAT1 ATOM 5359 OH2 TIP3 1127 28.083 -16.707 27.521 0.00 0.00 WAT1 ATOM 5360 H1 TIP3 1127 27.736 -16.089 28.166 0.00 0.00 WAT1 ATOM 5361 H2 TIP3 1127 28.741 -16.206 27.040 0.00 0.00 WAT1 ATOM 5362 OH2 TIP3 1128 32.541 -11.144 30.699 0.00 0.00 WAT1 ATOM 5363 H1 TIP3 1128 31.744 -11.559 30.370 0.00 0.00 WAT1 ATOM 5364 H2 TIP3 1128 32.986 -11.835 31.190 0.00 0.00 WAT1 ATOM 5365 OH2 TIP3 1129 21.999 -5.216 23.269 0.00 0.00 WAT1 ATOM 5366 H1 TIP3 1129 22.591 -4.517 23.545 0.00 0.00 WAT1 ATOM 5367 H2 TIP3 1129 22.458 -5.649 22.550 0.00 0.00 WAT1 ATOM 5368 OH2 TIP3 1130 20.053 -3.830 27.219 0.00 0.00 WAT1 ATOM 5369 H1 TIP3 1130 19.221 -3.357 27.246 0.00 0.00 WAT1 ATOM 5370 H2 TIP3 1130 20.599 -3.320 26.620 0.00 0.00 WAT1 ATOM 5371 OH2 TIP3 1131 19.249 -7.407 39.503 0.00 0.00 WAT1 ATOM 5372 H1 TIP3 1131 19.393 -8.309 39.217 0.00 0.00 WAT1 ATOM 5373 H2 TIP3 1131 18.476 -7.121 39.015 0.00 0.00 WAT1 ATOM 5374 OH2 TIP3 1132 23.590 -7.063 21.635 0.00 0.00 WAT1 ATOM 5375 H1 TIP3 1132 23.654 -7.857 22.166 0.00 0.00 WAT1 ATOM 5376 H2 TIP3 1132 24.243 -7.182 20.946 0.00 0.00 WAT1 ATOM 5377 OH2 TIP3 1133 20.081 -10.207 38.923 0.00 0.00 WAT1 ATOM 5378 H1 TIP3 1133 20.489 -11.064 38.802 0.00 0.00 WAT1 ATOM 5379 H2 TIP3 1133 19.821 -10.192 39.844 0.00 0.00 WAT1 ATOM 5380 OH2 TIP3 1134 24.028 -11.198 36.297 0.00 0.00 WAT1 ATOM 5381 H1 TIP3 1134 23.410 -10.523 36.578 0.00 0.00 WAT1 ATOM 5382 H2 TIP3 1134 24.372 -10.877 35.464 0.00 0.00 WAT1 ATOM 5383 OH2 TIP3 1135 26.362 -10.034 35.112 0.00 0.00 WAT1 ATOM 5384 H1 TIP3 1135 27.113 -10.190 34.539 0.00 0.00 WAT1 ATOM 5385 H2 TIP3 1135 26.023 -9.182 34.836 0.00 0.00 WAT1 ATOM 5386 OH2 TIP3 1136 22.846 -12.645 39.291 0.00 0.00 WAT1 ATOM 5387 H1 TIP3 1136 22.079 -13.177 39.081 0.00 0.00 WAT1 ATOM 5388 H2 TIP3 1136 23.525 -12.955 38.692 0.00 0.00 WAT1 ATOM 5389 OH2 TIP3 1137 25.586 -18.017 35.304 0.00 0.00 WAT1 ATOM 5390 H1 TIP3 1137 25.488 -17.070 35.198 0.00 0.00 WAT1 ATOM 5391 H2 TIP3 1137 24.843 -18.389 34.828 0.00 0.00 WAT1 ATOM 5392 OH2 TIP3 1138 26.850 -13.695 38.867 0.00 0.00 WAT1 ATOM 5393 H1 TIP3 1138 26.614 -13.915 39.769 0.00 0.00 WAT1 ATOM 5394 H2 TIP3 1138 26.067 -13.902 38.358 0.00 0.00 WAT1 ATOM 5395 OH2 TIP3 1139 29.566 -14.568 37.943 0.00 0.00 WAT1 ATOM 5396 H1 TIP3 1139 28.618 -14.536 38.075 0.00 0.00 WAT1 ATOM 5397 H2 TIP3 1139 29.878 -15.193 38.597 0.00 0.00 WAT1 ATOM 5398 OH2 TIP3 1140 25.808 -18.723 37.975 0.00 0.00 WAT1 ATOM 5399 H1 TIP3 1140 26.520 -19.363 37.961 0.00 0.00 WAT1 ATOM 5400 H2 TIP3 1140 25.707 -18.456 37.061 0.00 0.00 WAT1 ATOM 5401 OH2 TIP3 1141 26.161 -17.040 40.029 0.00 0.00 WAT1 ATOM 5402 H1 TIP3 1141 26.030 -17.516 39.208 0.00 0.00 WAT1 ATOM 5403 H2 TIP3 1141 25.562 -16.296 39.973 0.00 0.00 WAT1 ATOM 5404 OH2 TIP3 1142 19.276 -5.521 22.688 0.00 0.00 WAT1 ATOM 5405 H1 TIP3 1142 20.190 -5.442 22.961 0.00 0.00 WAT1 ATOM 5406 H2 TIP3 1142 19.283 -6.208 22.021 0.00 0.00 WAT1 ATOM 5407 OH2 TIP3 1143 33.840 -11.050 28.011 0.00 0.00 WAT1 ATOM 5408 H1 TIP3 1143 33.690 -11.995 27.991 0.00 0.00 WAT1 ATOM 5409 H2 TIP3 1143 33.486 -10.769 28.855 0.00 0.00 WAT1 ATOM 5410 OH2 TIP3 1144 33.550 -13.467 26.473 0.00 0.00 WAT1 ATOM 5411 H1 TIP3 1144 33.830 -14.374 26.598 0.00 0.00 WAT1 ATOM 5412 H2 TIP3 1144 34.309 -13.033 26.084 0.00 0.00 WAT1 ATOM 5413 OH2 TIP3 1145 34.162 -12.886 31.909 0.00 0.00 WAT1 ATOM 5414 H1 TIP3 1145 35.095 -12.674 31.875 0.00 0.00 WAT1 ATOM 5415 H2 TIP3 1145 33.927 -12.784 32.832 0.00 0.00 WAT1 ATOM 5416 OH2 TIP3 1146 33.567 -18.414 30.642 0.00 0.00 WAT1 ATOM 5417 H1 TIP3 1146 34.171 -17.866 30.141 0.00 0.00 WAT1 ATOM 5418 H2 TIP3 1146 32.698 -18.094 30.402 0.00 0.00 WAT1 ATOM 5419 OH2 TIP3 1147 25.331 -17.960 28.165 0.00 0.00 WAT1 ATOM 5420 H1 TIP3 1147 26.205 -17.572 28.135 0.00 0.00 WAT1 ATOM 5421 H2 TIP3 1147 25.195 -18.175 29.088 0.00 0.00 WAT1 ATOM 5422 OH2 TIP3 1148 30.888 -17.930 29.814 0.00 0.00 WAT1 ATOM 5423 H1 TIP3 1148 30.964 -17.835 28.865 0.00 0.00 WAT1 ATOM 5424 H2 TIP3 1148 30.612 -18.838 29.943 0.00 0.00 WAT1 ATOM 5425 OH2 TIP3 1149 22.682 -18.022 39.405 0.00 0.00 WAT1 ATOM 5426 H1 TIP3 1149 23.581 -18.296 39.220 0.00 0.00 WAT1 ATOM 5427 H2 TIP3 1149 22.296 -18.765 39.869 0.00 0.00 WAT1 ATOM 5428 OH2 TIP3 1150 24.760 -14.761 40.656 0.00 0.00 WAT1 ATOM 5429 H1 TIP3 1150 24.329 -15.206 41.386 0.00 0.00 WAT1 ATOM 5430 H2 TIP3 1150 24.042 -14.389 40.144 0.00 0.00 WAT1 ATOM 5431 OH2 TIP3 1151 19.277 -14.273 43.132 0.00 0.00 WAT1 ATOM 5432 H1 TIP3 1151 19.751 -13.682 42.547 0.00 0.00 WAT1 ATOM 5433 H2 TIP3 1151 18.559 -13.742 43.479 0.00 0.00 WAT1 ATOM 5434 OH2 TIP3 1152 23.378 -11.983 42.039 0.00 0.00 WAT1 ATOM 5435 H1 TIP3 1152 22.836 -12.363 41.348 0.00 0.00 WAT1 ATOM 5436 H2 TIP3 1152 24.212 -11.789 41.610 0.00 0.00 WAT1 ATOM 5437 OH2 TIP3 1153 19.968 -9.743 41.736 0.00 0.00 WAT1 ATOM 5438 H1 TIP3 1153 20.584 -9.116 42.115 0.00 0.00 WAT1 ATOM 5439 H2 TIP3 1153 19.106 -9.427 42.007 0.00 0.00 WAT1 ATOM 5440 OH2 TIP3 1154 23.740 -15.644 43.065 0.00 0.00 WAT1 ATOM 5441 H1 TIP3 1154 23.657 -14.755 43.411 0.00 0.00 WAT1 ATOM 5442 H2 TIP3 1154 24.630 -15.909 43.296 0.00 0.00 WAT1 ATOM 5443 OH2 TIP3 1155 20.315 -12.552 41.241 0.00 0.00 WAT1 ATOM 5444 H1 TIP3 1155 20.270 -11.613 41.420 0.00 0.00 WAT1 ATOM 5445 H2 TIP3 1155 19.427 -12.788 40.971 0.00 0.00 WAT1 ATOM 5446 OH2 TIP3 1156 25.810 -10.848 41.060 0.00 0.00 WAT1 ATOM 5447 H1 TIP3 1156 25.630 -11.002 40.132 0.00 0.00 WAT1 ATOM 5448 H2 TIP3 1156 26.761 -10.740 41.104 0.00 0.00 WAT1 ATOM 5449 OH2 TIP3 1157 19.588 -18.089 43.011 0.00 0.00 WAT1 ATOM 5450 H1 TIP3 1157 20.027 -17.478 42.420 0.00 0.00 WAT1 ATOM 5451 H2 TIP3 1157 18.954 -17.551 43.485 0.00 0.00 WAT1 ATOM 5452 OH2 TIP3 1158 21.449 -16.173 41.454 0.00 0.00 WAT1 ATOM 5453 H1 TIP3 1158 21.940 -16.803 40.926 0.00 0.00 WAT1 ATOM 5454 H2 TIP3 1158 22.072 -15.877 42.117 0.00 0.00 WAT1 END