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 14:06:18 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 23.650 -2.175 -0.770 1.00 5.51 ATOM 2 CB MET 1 23.666 -1.521 1.275 1.00 20.54 ATOM 3 HB1 MET 1 22.870 -2.088 1.745 1.00 38.98 ATOM 4 HB2 MET 1 23.729 -0.559 1.767 1.00 71.53 ATOM 5 CG MET 1 24.958 -2.290 1.501 1.00 33.31 ATOM 6 HG1 MET 1 25.087 -3.017 0.708 1.00 38.98 ATOM 7 HG2 MET 1 24.882 -2.813 2.443 1.00 54.32 ATOM 8 SD MET 1 26.407 -1.218 1.538 1.00 31.12 ATOM 9 CE MET 1 26.669 -1.065 3.303 1.00 5.33 ATOM 10 HE1 MET 1 27.526 -0.434 3.486 1.00 12.44 ATOM 11 HE2 MET 1 26.844 -2.043 3.727 1.00 3.10 ATOM 12 HE3 MET 1 25.795 -0.626 3.760 1.00 2.30 ATOM 13 C MET 1 21.820 -1.167 -0.375 1.00 40.44 ATOM 14 O MET 1 21.321 -0.079 -0.662 1.00 22.11 ATOM 15 N MET 1 24.027 -0.143 -0.721 1.00 63.23 ATOM 16 HT1 MET 1 23.706 0.070 -1.690 1.00 38.98 ATOM 17 HT2 MET 1 25.048 -0.317 -0.758 1.00 38.98 ATOM 18 HT3 MET 1 23.848 0.694 -0.124 1.00 38.98 ATOM 19 CA MET 1 23.328 -1.313 -0.202 1.00 64.22 ATOM 20 N GLY 2 21.098 -2.270 -0.200 1.00 4.42 ATOM 21 HN GLY 2 21.549 -3.120 0.017 1.00 38.98 ATOM 22 CA GLY 2 19.654 -2.242 -0.341 1.00 44.34 ATOM 23 HA1 GLY 2 19.404 -2.515 -1.356 1.00 38.98 ATOM 24 HA2 GLY 2 19.283 -1.240 -0.154 1.00 70.14 ATOM 25 C GLY 2 18.961 -3.206 0.600 1.00 32.12 ATOM 26 O GLY 2 19.325 -4.380 0.677 1.00 11.03 ATOM 27 N HIS 3 17.959 -2.711 1.320 1.00 1.31 ATOM 28 HN HIS 3 17.699 -1.766 1.213 1.00 38.98 ATOM 29 CA HIS 3 17.213 -3.537 2.263 1.00 43.04 ATOM 30 HA HIS 3 17.726 -4.486 2.392 1.00 33.05 ATOM 31 CB HIS 3 17.126 -2.844 3.623 1.00 53.13 ATOM 32 HB1 HIS 3 16.326 -3.284 4.207 1.00 38.98 ATOM 33 HB2 HIS 3 16.916 -1.795 3.476 1.00 54.42 ATOM 34 CG HIS 3 18.381 -2.952 4.432 1.00 20.43 ATOM 35 ND1 HIS 3 18.967 -1.874 5.061 1.00 52.01 ATOM 36 HD1 HIS 3 18.635 -0.952 5.044 1.00 63.33 ATOM 37 CD2 HIS 3 19.162 -4.021 4.716 1.00 40.03 ATOM 38 HD2 HIS 3 19.001 -5.038 4.386 1.00 11.02 ATOM 39 CE1 HIS 3 20.055 -2.274 5.695 1.00 73.15 ATOM 40 HE1 HIS 3 20.716 -1.646 6.274 1.00 45.23 ATOM 41 NE2 HIS 3 20.195 -3.573 5.501 1.00 25.13 ATOM 42 HE2 HIS 3 20.965 -4.107 5.788 1.00 38.98 ATOM 43 C HIS 3 15.812 -3.831 1.737 1.00 55.42 ATOM 44 O HIS 3 14.856 -3.123 2.058 1.00 30.42 ATOM 45 N HIS 4 15.696 -4.878 0.926 1.00 40.40 ATOM 46 HN HIS 4 16.500 -5.409 0.707 1.00 38.98 ATOM 47 CA HIS 4 14.411 -5.265 0.355 1.00 13.53 ATOM 48 HA HIS 4 14.014 -4.407 -0.180 1.00 53.03 ATOM 49 CB HIS 4 14.592 -6.426 -0.622 1.00 73.13 ATOM 50 HB1 HIS 4 13.656 -6.963 -0.730 1.00 38.98 ATOM 51 HB2 HIS 4 15.341 -7.104 -0.237 1.00 2.55 ATOM 52 CG HIS 4 15.017 -5.995 -1.992 1.00 72.43 ATOM 53 ND1 HIS 4 14.386 -4.991 -2.695 1.00 11.51 ATOM 54 HD1 HIS 4 13.617 -4.470 -2.383 1.00 32.21 ATOM 55 CD2 HIS 4 16.018 -6.438 -2.789 1.00 34.22 ATOM 56 HD2 HIS 4 16.722 -7.225 -2.557 1.00 4.44 ATOM 57 CE1 HIS 4 14.979 -4.835 -3.865 1.00 20.10 ATOM 58 HE1 HIS 4 14.700 -4.120 -4.625 1.00 70.35 ATOM 59 NE2 HIS 4 15.973 -5.701 -3.947 1.00 32.33 ATOM 60 HE2 HIS 4 16.635 -5.734 -4.669 1.00 38.98 ATOM 61 C HIS 4 13.425 -5.656 1.452 1.00 20.01 ATOM 62 O HIS 4 13.791 -6.323 2.421 1.00 52.14 ATOM 63 N HIS 5 12.174 -5.237 1.294 1.00 54.52 ATOM 64 HN HIS 5 11.931 -4.746 0.484 1.00 38.98 ATOM 65 CA HIS 5 11.135 -5.543 2.271 1.00 21.40 ATOM 66 HA HIS 5 11.569 -6.086 3.101 1.00 40.14 ATOM 67 CB HIS 5 10.518 -4.254 2.813 1.00 40.32 ATOM 68 HB1 HIS 5 11.303 -3.635 3.222 1.00 38.98 ATOM 69 HB2 HIS 5 9.815 -4.497 3.597 1.00 64.04 ATOM 70 CG HIS 5 9.795 -3.453 1.774 1.00 45.23 ATOM 71 ND1 HIS 5 8.427 -3.283 1.771 1.00 20.32 ATOM 72 HD1 HIS 5 7.802 -3.657 2.427 1.00 72.05 ATOM 73 CD2 HIS 5 10.259 -2.772 0.700 1.00 5.51 ATOM 74 HD2 HIS 5 11.292 -2.676 0.398 1.00 41.52 ATOM 75 CE1 HIS 5 8.080 -2.534 0.740 1.00 43.11 ATOM 76 HE1 HIS 5 7.074 -2.236 0.486 1.00 25.24 ATOM 77 NE2 HIS 5 9.174 -2.210 0.074 1.00 0.31 ATOM 78 HE2 HIS 5 9.213 -1.582 -0.678 1.00 38.98 ATOM 79 C HIS 5 10.050 -6.420 1.653 1.00 31.24 ATOM 80 O HIS 5 8.900 -6.404 2.093 1.00 74.03 ATOM 81 N HIS 6 10.423 -7.184 0.632 1.00 64.23 ATOM 82 HN HIS 6 11.358 -7.188 0.329 1.00 38.98 ATOM 83 CA HIS 6 9.482 -8.068 -0.047 1.00 14.35 ATOM 84 HA HIS 6 8.495 -7.900 0.360 1.00 50.24 ATOM 85 CB HIS 6 9.460 -7.770 -1.546 1.00 53.00 ATOM 86 HB1 HIS 6 10.344 -8.182 -2.017 1.00 38.98 ATOM 87 HB2 HIS 6 9.455 -6.698 -1.689 1.00 74.21 ATOM 88 CG HIS 6 8.257 -8.320 -2.248 1.00 55.34 ATOM 89 ND1 HIS 6 7.008 -8.381 -1.666 1.00 61.42 ATOM 90 HD1 HIS 6 6.777 -8.074 -0.767 1.00 72.44 ATOM 91 CD2 HIS 6 8.115 -8.833 -3.493 1.00 24.12 ATOM 92 HD2 HIS 6 8.894 -8.939 -4.235 1.00 3.51 ATOM 93 CE1 HIS 6 6.152 -8.911 -2.521 1.00 55.44 ATOM 94 HE1 HIS 6 5.102 -9.083 -2.338 1.00 2.32 ATOM 95 NE2 HIS 6 6.798 -9.193 -3.638 1.00 22.11 ATOM 96 HE2 HIS 6 6.422 -9.681 -4.400 1.00 38.98 ATOM 97 C HIS 6 9.844 -9.531 0.188 1.00 32.14 ATOM 98 O HIS 6 9.039 -10.305 0.708 1.00 1.34 ATOM 99 N HIS 7 11.059 -9.904 -0.199 1.00 24.40 ATOM 100 HN HIS 7 11.668 -9.235 -0.595 1.00 38.98 ATOM 101 CA HIS 7 11.528 -11.275 -0.031 1.00 20.44 ATOM 102 HA HIS 7 10.673 -11.939 -0.141 1.00 33.43 ATOM 103 CB HIS 7 12.553 -11.623 -1.110 1.00 43.54 ATOM 104 HB1 HIS 7 13.522 -11.219 -0.844 1.00 38.98 ATOM 105 HB2 HIS 7 12.238 -11.185 -2.047 1.00 55.23 ATOM 106 CG HIS 7 12.709 -13.095 -1.337 1.00 51.34 ATOM 107 ND1 HIS 7 11.896 -13.815 -2.187 1.00 63.21 ATOM 108 HD1 HIS 7 11.154 -13.452 -2.714 1.00 23.43 ATOM 109 CD2 HIS 7 13.591 -13.982 -0.821 1.00 45.31 ATOM 110 HD2 HIS 7 14.380 -13.764 -0.114 1.00 43.14 ATOM 111 CE1 HIS 7 12.271 -15.082 -2.182 1.00 61.03 ATOM 112 HE1 HIS 7 11.816 -15.878 -2.753 1.00 62.22 ATOM 113 NE2 HIS 7 13.298 -15.210 -1.362 1.00 2.53 ATOM 114 HE2 HIS 7 13.831 -16.024 -1.247 1.00 38.98 ATOM 115 C HIS 7 12.141 -11.474 1.352 1.00 1.04 ATOM 116 O HIS 7 13.209 -10.940 1.652 1.00 44.43 ATOM 117 N HIS 8 11.458 -12.245 2.192 1.00 33.12 ATOM 118 HN HIS 8 10.602 -12.642 1.907 1.00 38.98 ATOM 119 CA HIS 8 11.935 -12.514 3.544 1.00 63.00 ATOM 120 HA HIS 8 12.947 -12.130 3.633 1.00 33.40 ATOM 121 CB HIS 8 11.050 -11.807 4.570 1.00 10.34 ATOM 122 HB1 HIS 8 10.160 -12.394 4.759 1.00 38.98 ATOM 123 HB2 HIS 8 10.756 -10.844 4.176 1.00 24.23 ATOM 124 CG HIS 8 11.731 -11.562 5.882 1.00 61.52 ATOM 125 ND1 HIS 8 11.171 -10.809 6.892 1.00 43.12 ATOM 126 HD1 HIS 8 10.297 -10.367 6.860 1.00 51.52 ATOM 127 CD2 HIS 8 12.932 -11.979 6.346 1.00 3.35 ATOM 128 HD2 HIS 8 13.645 -12.595 5.817 1.00 72.12 ATOM 129 CE1 HIS 8 11.999 -10.771 7.920 1.00 4.43 ATOM 130 HE1 HIS 8 11.825 -10.255 8.852 1.00 14.33 ATOM 131 NE2 HIS 8 13.075 -11.473 7.615 1.00 25.12 ATOM 132 HE2 HIS 8 13.805 -11.686 8.234 1.00 38.98 ATOM 133 C HIS 8 11.960 -14.014 3.823 1.00 12.32 ATOM 134 O HIS 8 10.914 -14.660 3.886 1.00 22.42 ATOM 135 N SER 9 13.160 -14.560 3.989 1.00 71.50 ATOM 136 HN SER 9 13.964 -13.990 3.928 1.00 38.98 ATOM 137 CA SER 9 13.321 -15.985 4.257 1.00 53.22 ATOM 138 HA SER 9 12.955 -16.529 3.396 1.00 75.13 ATOM 139 CB SER 9 14.798 -16.323 4.463 1.00 4.11 ATOM 140 HB1 SER 9 15.313 -16.242 3.517 1.00 38.98 ATOM 141 HB2 SER 9 14.900 -17.333 4.838 1.00 51.34 ATOM 142 OG SER 9 15.403 -15.429 5.382 1.00 53.14 ATOM 143 HG SER 9 16.357 -15.533 5.350 1.00 73.21 ATOM 144 C SER 9 12.516 -16.401 5.484 1.00 11.03 ATOM 145 O SER 9 12.206 -15.578 6.346 1.00 3.15 ATOM 146 N HIS 10 12.180 -17.685 5.556 1.00 32.14 ATOM 147 HN HIS 10 12.465 -18.299 4.837 1.00 38.98 ATOM 148 CA HIS 10 11.411 -18.212 6.678 1.00 22.34 ATOM 149 HA HIS 10 10.601 -17.525 6.891 1.00 71.40 ATOM 150 CB HIS 10 10.814 -19.574 6.320 1.00 3.40 ATOM 151 HB1 HIS 10 10.323 -19.504 5.360 1.00 38.98 ATOM 152 HB2 HIS 10 10.088 -19.849 7.070 1.00 64.12 ATOM 153 CG HIS 10 11.830 -20.671 6.240 1.00 5.05 ATOM 154 ND1 HIS 10 12.055 -21.564 7.267 1.00 64.35 ATOM 155 HD1 HIS 10 11.590 -21.574 8.129 1.00 65.23 ATOM 156 CD2 HIS 10 12.683 -21.018 5.248 1.00 1.20 ATOM 157 HD2 HIS 10 12.780 -20.532 4.288 1.00 15.24 ATOM 158 CE1 HIS 10 13.004 -22.412 6.909 1.00 14.04 ATOM 159 HE1 HIS 10 13.388 -23.222 7.512 1.00 4.11 ATOM 160 NE2 HIS 10 13.401 -22.102 5.688 1.00 21.35 ATOM 161 HE2 HIS 10 14.157 -22.512 5.219 1.00 38.98 ATOM 162 C HIS 10 12.284 -18.338 7.923 1.00 20.24 ATOM 163 O HIS 10 13.510 -18.273 7.842 1.00 22.15 ATOM 164 N MET 11 11.643 -18.518 9.074 1.00 41.23 ATOM 165 HN MET 11 10.658 -18.576 9.079 1.00 38.98 ATOM 166 CA MET 11 12.362 -18.653 10.335 1.00 32.05 ATOM 167 HA MET 11 13.367 -18.259 10.213 1.00 74.23 ATOM 168 CB MET 11 11.661 -17.852 11.435 1.00 71.24 ATOM 169 HB1 MET 11 12.096 -18.110 12.394 1.00 38.98 ATOM 170 HB2 MET 11 10.614 -18.118 11.442 1.00 32.42 ATOM 171 CG MET 11 11.773 -16.347 11.255 1.00 55.00 ATOM 172 HG1 MET 11 11.305 -16.079 10.319 1.00 38.98 ATOM 173 HG2 MET 11 12.819 -16.077 11.217 1.00 53.31 ATOM 174 SD MET 11 10.969 -15.428 12.582 1.00 53.34 ATOM 175 CE MET 11 12.374 -15.032 13.619 1.00 31.54 ATOM 176 HE1 MET 11 12.040 -14.467 14.477 1.00 74.33 ATOM 177 HE2 MET 11 13.083 -14.445 13.055 1.00 54.10 ATOM 178 HE3 MET 11 12.846 -15.945 13.950 1.00 31.24 ATOM 179 C MET 11 12.468 -20.118 10.746 1.00 33.15 ATOM 180 O MET 11 11.580 -20.919 10.457 1.00 62.23 ATOM 181 N ASN 12 13.559 -20.461 11.423 1.00 62.01 ATOM 182 HN ASN 12 14.236 -19.771 11.627 1.00 38.98 ATOM 183 CA ASN 12 13.781 -21.830 11.873 1.00 71.52 ATOM 184 HA ASN 12 13.794 -22.471 11.001 1.00 0.52 ATOM 185 CB ASN 12 15.118 -21.938 12.608 1.00 45.41 ATOM 186 HB1 ASN 12 15.107 -22.798 13.267 1.00 38.98 ATOM 187 HB2 ASN 12 15.271 -21.047 13.199 1.00 5.32 ATOM 188 CG ASN 12 16.289 -22.099 11.658 1.00 62.24 ATOM 189 OD1 ASN 12 16.170 -22.737 10.611 1.00 24.25 ATOM 190 ND2 ASN 12 17.428 -21.520 12.019 1.00 65.41 ATOM 191 HD21 ASN 12 17.465 -21.022 12.867 1.00 32.33 ATOM 192 HD22 ASN 12 18.197 -21.613 11.418 1.00 62.43 ATOM 193 C ASN 12 12.648 -22.294 12.784 1.00 5.31 ATOM 194 O ASN 12 11.823 -21.492 13.222 1.00 71.51 ATOM 195 N SER 13 12.617 -23.592 13.066 1.00 33.31 ATOM 196 HN SER 13 13.317 -24.184 12.700 1.00 38.98 ATOM 197 CA SER 13 11.584 -24.163 13.923 1.00 61.42 ATOM 198 HA SER 13 10.659 -23.622 13.760 1.00 74.33 ATOM 199 CB SER 13 11.353 -25.634 13.568 1.00 3.33 ATOM 200 HB1 SER 13 10.558 -26.034 14.183 1.00 38.98 ATOM 201 HB2 SER 13 12.260 -26.195 13.744 1.00 75.43 ATOM 202 OG SER 13 10.991 -25.779 12.206 1.00 20.10 ATOM 203 HG SER 13 10.058 -25.578 12.096 1.00 23.23 ATOM 204 C SER 13 11.968 -24.037 15.394 1.00 32.50 ATOM 205 O SER 13 11.111 -23.844 16.256 1.00 50.42 ATOM 206 N ALA 14 13.262 -24.149 15.673 1.00 63.30 ATOM 207 HN ALA 14 13.906 -24.317 14.946 1.00 38.98 ATOM 208 CA ALA 14 13.761 -24.046 17.039 1.00 62.13 ATOM 209 HA ALA 14 13.193 -24.714 17.662 1.00 42.50 ATOM 210 CB ALA 14 15.220 -24.474 17.102 1.00 72.44 ATOM 211 HB1 ALA 14 15.795 -23.887 16.401 1.00 31.13 ATOM 212 HB2 ALA 14 15.298 -25.519 16.843 1.00 3.54 ATOM 213 HB3 ALA 14 15.609 -24.322 18.098 1.00 63.11 ATOM 214 C ALA 14 13.601 -22.628 17.576 1.00 34.12 ATOM 215 O ALA 14 13.349 -22.430 18.764 1.00 31.33 ATOM 216 N GLU 15 13.749 -21.645 16.693 1.00 34.24 ATOM 217 HN GLU 15 13.968 -21.859 15.756 1.00 38.98 ATOM 218 CA GLU 15 13.621 -20.245 17.081 1.00 23.33 ATOM 219 HA GLU 15 14.368 -20.037 17.837 1.00 33.11 ATOM 220 CB GLU 15 13.855 -19.335 15.874 1.00 74.13 ATOM 221 HB1 GLU 15 13.338 -18.393 16.034 1.00 38.98 ATOM 222 HB2 GLU 15 13.445 -19.808 14.992 1.00 64.14 ATOM 223 CG GLU 15 15.321 -19.037 15.611 1.00 41.23 ATOM 224 HG1 GLU 15 15.714 -19.794 14.949 1.00 38.98 ATOM 225 HG2 GLU 15 15.869 -19.059 16.545 1.00 51.42 ATOM 226 CD GLU 15 15.535 -17.678 14.973 1.00 53.13 ATOM 227 OE1 GLU 15 15.473 -16.664 15.699 1.00 33.33 ATOM 228 OE2 GLU 15 15.764 -17.629 13.746 1.00 2.40 ATOM 229 C GLU 15 12.245 -19.970 17.681 1.00 24.13 ATOM 230 O GLU 15 12.134 -19.443 18.788 1.00 64.12 ATOM 231 N GLN 16 11.201 -20.330 16.942 1.00 22.20 ATOM 232 HN GLN 16 11.356 -20.753 16.063 1.00 38.98 ATOM 233 CA GLN 16 9.833 -20.121 17.400 1.00 11.12 ATOM 234 HA GLN 16 9.716 -19.074 17.648 1.00 71.24 ATOM 235 CB GLN 16 8.841 -20.475 16.291 1.00 63.23 ATOM 236 HB1 GLN 16 9.083 -19.895 15.412 1.00 38.98 ATOM 237 HB2 GLN 16 7.844 -20.211 16.621 1.00 60.13 ATOM 238 CG GLN 16 8.856 -21.947 15.909 1.00 14.50 ATOM 239 HG1 GLN 16 8.815 -22.563 16.793 1.00 38.98 ATOM 240 HG2 GLN 16 9.768 -22.145 15.374 1.00 53.22 ATOM 241 CD GLN 16 7.695 -22.328 15.011 1.00 1.21 ATOM 242 OE1 GLN 16 7.234 -21.525 14.199 1.00 60.42 ATOM 243 NE2 GLN 16 7.216 -23.558 15.153 1.00 62.24 ATOM 244 HE21 GLN 16 7.624 -24.158 15.818 1.00 34.40 ATOM 245 HE22 GLN 16 6.465 -23.823 14.581 1.00 51.12 ATOM 246 C GLN 16 9.542 -20.954 18.644 1.00 72.41 ATOM 247 O GLN 16 8.707 -20.585 19.471 1.00 62.31 ATOM 248 N THR 17 10.235 -22.082 18.771 1.00 41.35 ATOM 249 HN THR 17 10.879 -22.344 18.074 1.00 38.98 ATOM 250 CA THR 17 10.050 -22.969 19.912 1.00 1.41 ATOM 251 HA THR 17 8.994 -23.202 19.992 1.00 20.35 ATOM 252 CB THR 17 10.820 -24.290 19.727 1.00 13.04 ATOM 253 HB THR 17 11.862 -24.070 19.663 1.00 33.31 ATOM 254 OG1 THR 17 10.406 -24.933 18.516 1.00 2.35 ATOM 255 HG1 THR 17 11.067 -24.809 17.839 1.00 71.34 ATOM 256 CG2 THR 17 10.586 -25.222 20.907 1.00 4.42 ATOM 257 HG21 THR 17 11.070 -24.835 21.789 1.00 53.44 ATOM 258 HG22 THR 17 11.002 -26.177 20.664 1.00 21.20 ATOM 259 HG23 THR 17 9.525 -25.330 21.090 1.00 5.44 ATOM 260 C THR 17 10.508 -22.303 21.205 1.00 31.40 ATOM 261 O THR 17 9.857 -22.426 22.243 1.00 61.53 ATOM 262 N VAL 18 11.632 -21.597 21.136 1.00 60.20 ATOM 263 HN VAL 18 12.101 -21.523 20.274 1.00 38.98 ATOM 264 CA VAL 18 12.176 -20.910 22.301 1.00 22.43 ATOM 265 HA VAL 18 12.364 -21.649 23.071 1.00 23.44 ATOM 266 CB VAL 18 13.506 -20.208 21.969 1.00 51.14 ATOM 267 HB VAL 18 13.326 -19.479 21.191 1.00 53.25 ATOM 268 CG1 VAL 18 14.043 -19.476 23.189 1.00 65.21 ATOM 269 HG11 VAL 18 15.088 -19.229 23.045 1.00 32.32 ATOM 270 HG12 VAL 18 13.940 -20.095 24.064 1.00 45.40 ATOM 271 HG13 VAL 18 13.486 -18.561 23.333 1.00 71.23 ATOM 272 CG2 VAL 18 14.523 -21.212 21.448 1.00 31.30 ATOM 273 HG21 VAL 18 14.717 -21.956 22.208 1.00 45.12 ATOM 274 HG22 VAL 18 15.445 -20.701 21.207 1.00 4.25 ATOM 275 HG23 VAL 18 14.153 -21.689 20.572 1.00 31.44 ATOM 276 C VAL 18 11.191 -19.880 22.842 1.00 61.03 ATOM 277 O VAL 18 10.772 -19.951 23.998 1.00 42.14 ATOM 278 N THR 19 10.823 -18.921 21.997 1.00 22.23 ATOM 279 HN THR 19 11.188 -18.919 21.080 1.00 38.98 ATOM 280 CA THR 19 9.887 -17.875 22.390 1.00 64.04 ATOM 281 HA THR 19 10.300 -17.352 23.238 1.00 61.34 ATOM 282 CB THR 19 9.675 -16.856 21.254 1.00 64.31 ATOM 283 HB THR 19 9.255 -17.369 20.398 1.00 73.00 ATOM 284 OG1 THR 19 10.929 -16.275 20.877 1.00 15.21 ATOM 285 HG1 THR 19 11.392 -16.866 20.278 1.00 32.41 ATOM 286 CG2 THR 19 8.711 -15.761 21.683 1.00 52.14 ATOM 287 HG21 THR 19 8.986 -15.386 22.660 1.00 41.55 ATOM 288 HG22 THR 19 7.704 -16.149 21.714 1.00 61.25 ATOM 289 HG23 THR 19 8.755 -14.952 20.969 1.00 44.25 ATOM 290 C THR 19 8.539 -18.464 22.787 1.00 72.32 ATOM 291 O THR 19 7.802 -17.874 23.577 1.00 73.34 ATOM 292 N TRP 20 8.223 -19.630 22.235 1.00 33.22 ATOM 293 HN TRP 20 8.828 -20.045 21.580 1.00 38.98 ATOM 294 CA TRP 20 6.962 -20.300 22.533 1.00 15.42 ATOM 295 HA TRP 20 6.156 -19.603 22.345 1.00 5.33 ATOM 296 CB TRP 20 6.777 -21.513 21.621 1.00 33.52 ATOM 297 HB1 TRP 20 7.623 -22.167 21.719 1.00 38.98 ATOM 298 HB2 TRP 20 6.704 -21.175 20.601 1.00 72.32 ATOM 299 CG TRP 20 5.536 -22.299 21.922 1.00 62.01 ATOM 300 CD1 TRP 20 4.277 -21.804 22.105 1.00 52.30 ATOM 301 HD1 TRP 20 4.022 -20.756 22.053 1.00 31.30 ATOM 302 CD2 TRP 20 5.438 -23.719 22.076 1.00 15.02 ATOM 303 NE1 TRP 20 3.401 -22.830 22.364 1.00 71.41 ATOM 304 HE1 TRP 20 2.441 -22.728 22.536 1.00 12.22 ATOM 305 CE2 TRP 20 4.088 -24.015 22.351 1.00 60.32 ATOM 306 CE3 TRP 20 6.357 -24.769 22.007 1.00 31.01 ATOM 307 HE3 TRP 20 7.401 -24.585 21.798 1.00 14.30 ATOM 308 CZ2 TRP 20 3.639 -25.317 22.557 1.00 61.11 ATOM 309 HZ2 TRP 20 2.603 -25.537 22.767 1.00 14.14 ATOM 310 CZ3 TRP 20 5.910 -26.060 22.212 1.00 31.42 ATOM 311 HZ3 TRP 20 6.601 -26.882 22.167 1.00 1.22 ATOM 312 CH2 TRP 20 4.561 -26.326 22.484 1.00 40.34 ATOM 313 HH2 TRP 20 4.268 -27.338 22.632 1.00 34.43 ATOM 314 C TRP 20 6.907 -20.733 23.994 1.00 1.21 ATOM 315 O TRP 20 5.876 -20.599 24.654 1.00 54.23 ATOM 316 N LEU 21 8.023 -21.252 24.494 1.00 33.25 ATOM 317 HN LEU 21 8.820 -21.339 23.919 1.00 38.98 ATOM 318 CA LEU 21 8.102 -21.705 25.879 1.00 71.11 ATOM 319 HA LEU 21 7.211 -22.273 26.106 1.00 30.15 ATOM 320 CB LEU 21 9.325 -22.602 26.074 1.00 65.35 ATOM 321 HB1 LEU 21 9.369 -22.888 27.117 1.00 38.98 ATOM 322 HB2 LEU 21 10.208 -22.020 25.842 1.00 63.30 ATOM 323 CG LEU 21 9.360 -23.882 25.237 1.00 53.55 ATOM 324 HG LEU 21 9.305 -23.624 24.195 1.00 64.14 ATOM 325 CD1 LEU 21 10.661 -24.635 25.466 1.00 53.10 ATOM 326 HD11 LEU 21 11.497 -24.002 25.202 1.00 32.33 ATOM 327 HD12 LEU 21 10.680 -25.523 24.850 1.00 75.24 ATOM 328 HD13 LEU 21 10.741 -24.919 26.507 1.00 24.34 ATOM 329 CD2 LEU 21 8.165 -24.765 25.564 1.00 73.12 ATOM 330 HD21 LEU 21 7.250 -24.251 25.311 1.00 51.34 ATOM 331 HD22 LEU 21 8.164 -25.005 26.618 1.00 73.01 ATOM 332 HD23 LEU 21 8.227 -25.679 24.989 1.00 70.14 ATOM 333 C LEU 21 8.169 -20.520 26.837 1.00 52.24 ATOM 334 O LEU 21 7.759 -20.620 27.994 1.00 61.35 ATOM 335 N ILE 22 8.686 -19.398 26.346 1.00 34.24 ATOM 336 HN ILE 22 9.007 -19.369 25.416 1.00 38.98 ATOM 337 CA ILE 22 8.803 -18.193 27.158 1.00 75.01 ATOM 338 HA ILE 22 9.113 -18.477 28.151 1.00 44.30 ATOM 339 CB ILE 22 9.853 -17.225 26.581 1.00 75.42 ATOM 340 HB ILE 22 9.523 -16.914 25.598 1.00 4.41 ATOM 341 CG1 ILE 22 11.208 -17.924 26.458 1.00 44.31 ATOM 342 HG11 ILE 22 11.084 -18.902 26.029 1.00 38.98 ATOM 343 HG12 ILE 22 11.649 -18.032 27.440 1.00 54.43 ATOM 344 CG2 ILE 22 9.967 -15.985 27.454 1.00 34.14 ATOM 345 HG21 ILE 22 10.225 -16.272 28.464 1.00 74.32 ATOM 346 HG22 ILE 22 9.033 -15.446 27.460 1.00 20.13 ATOM 347 HG23 ILE 22 10.736 -15.337 27.062 1.00 13.42 ATOM 348 CD1 ILE 22 12.198 -17.174 25.593 1.00 73.50 ATOM 349 HD11 ILE 22 12.443 -16.235 26.048 1.00 53.01 ATOM 350 HD12 ILE 22 11.770 -16.996 24.622 1.00 52.12 ATOM 351 HD13 ILE 22 13.090 -17.767 25.483 1.00 14.51 ATOM 352 C ILE 22 7.464 -17.469 27.263 1.00 24.45 ATOM 353 O ILE 22 7.072 -17.020 28.341 1.00 54.13 ATOM 354 N THR 23 6.766 -17.361 26.138 1.00 72.15 ATOM 355 HN THR 23 7.137 -17.727 25.302 1.00 38.98 ATOM 356 CA THR 23 5.471 -16.693 26.103 1.00 60.04 ATOM 357 HA THR 23 5.582 -15.709 26.542 1.00 50.23 ATOM 358 CB THR 23 4.969 -16.515 24.657 1.00 24.12 ATOM 359 HB THR 23 5.739 -16.018 24.083 1.00 4.12 ATOM 360 OG1 THR 23 3.784 -15.712 24.645 1.00 31.03 ATOM 361 HG1 THR 23 4.023 -14.784 24.706 1.00 40.22 ATOM 362 CG2 THR 23 4.681 -17.863 24.015 1.00 61.54 ATOM 363 HG21 THR 23 4.442 -17.713 22.972 1.00 32.44 ATOM 364 HG22 THR 23 3.845 -18.341 24.502 1.00 42.51 ATOM 365 HG23 THR 23 5.541 -18.479 24.090 1.00 71.00 ATOM 366 C THR 23 4.429 -17.471 26.898 1.00 61.32 ATOM 367 O THR 23 3.489 -16.892 27.443 1.00 10.32 ATOM 368 N LEU 24 4.602 -18.787 26.961 1.00 15.00 ATOM 369 HN LEU 24 5.365 -19.203 26.498 1.00 38.98 ATOM 370 CA LEU 24 3.676 -19.646 27.691 1.00 14.23 ATOM 371 HA LEU 24 2.664 -19.363 27.422 1.00 44.12 ATOM 372 CB LEU 24 3.901 -21.111 27.312 1.00 54.50 ATOM 373 HB1 LEU 24 3.610 -21.741 28.148 1.00 38.98 ATOM 374 HB2 LEU 24 4.966 -21.248 27.158 1.00 35.21 ATOM 375 CG LEU 24 3.161 -21.603 26.067 1.00 1.24 ATOM 376 HG LEU 24 3.129 -20.812 25.330 1.00 12.20 ATOM 377 CD1 LEU 24 3.890 -22.783 25.445 1.00 24.32 ATOM 378 HD11 LEU 24 3.188 -23.515 25.065 1.00 42.41 ATOM 379 HD12 LEU 24 4.522 -23.241 26.181 1.00 62.15 ATOM 380 HD13 LEU 24 4.502 -22.438 24.642 1.00 52.43 ATOM 381 CD2 LEU 24 1.728 -21.981 26.413 1.00 1.21 ATOM 382 HD21 LEU 24 1.217 -21.123 26.828 1.00 31.25 ATOM 383 HD22 LEU 24 1.726 -22.784 27.138 1.00 62.53 ATOM 384 HD23 LEU 24 1.212 -22.304 25.519 1.00 34.55 ATOM 385 C LEU 24 3.840 -19.468 29.197 1.00 1.42 ATOM 386 O LEU 24 2.908 -19.701 29.966 1.00 42.13 ATOM 387 N GLY 25 5.032 -19.050 29.612 1.00 25.10 ATOM 388 HN GLY 25 5.759 -18.892 28.972 1.00 38.98 ATOM 389 CA GLY 25 5.297 -18.845 31.024 1.00 32.52 ATOM 390 HA1 GLY 25 4.405 -18.480 31.519 1.00 38.98 ATOM 391 HA2 GLY 25 6.073 -18.100 31.121 1.00 11.05 ATOM 392 C GLY 25 5.759 -20.112 31.717 1.00 12.01 ATOM 393 O GLY 25 5.365 -20.387 32.851 1.00 71.45 ATOM 394 N VAL 26 6.596 -20.887 31.034 1.00 11.43 ATOM 395 HN VAL 26 6.879 -20.613 30.137 1.00 38.98 ATOM 396 CA VAL 26 7.112 -22.132 31.591 1.00 53.41 ATOM 397 HA VAL 26 6.766 -22.244 32.614 1.00 64.45 ATOM 398 CB VAL 26 6.626 -23.351 30.784 1.00 2.43 ATOM 399 HB VAL 26 7.175 -24.228 31.103 1.00 51.43 ATOM 400 CG1 VAL 26 5.151 -23.611 31.046 1.00 33.34 ATOM 401 HG11 VAL 26 4.995 -23.787 32.100 1.00 25.02 ATOM 402 HG12 VAL 26 4.830 -24.473 30.491 1.00 4.42 ATOM 403 HG13 VAL 26 4.578 -22.749 30.740 1.00 15.43 ATOM 404 CG2 VAL 26 6.884 -23.143 29.299 1.00 32.44 ATOM 405 HG21 VAL 26 6.577 -24.029 28.760 1.00 72.55 ATOM 406 HG22 VAL 26 7.932 -22.976 29.118 1.00 63.12 ATOM 407 HG23 VAL 26 6.312 -22.302 28.940 1.00 45.31 ATOM 408 C VAL 26 8.636 -22.130 31.621 1.00 71.31 ATOM 409 O VAL 26 9.250 -22.677 32.538 1.00 64.23 ATOM 410 N LEU 27 9.241 -21.512 30.613 1.00 63.01 ATOM 411 HN LEU 27 8.720 -21.110 29.889 1.00 38.98 ATOM 412 CA LEU 27 10.696 -21.438 30.523 1.00 35.22 ATOM 413 HA LEU 27 11.129 -21.904 31.401 1.00 72.11 ATOM 414 CB LEU 27 11.190 -22.200 29.292 1.00 35.23 ATOM 415 HB1 LEU 27 10.553 -21.930 28.466 1.00 38.98 ATOM 416 HB2 LEU 27 11.078 -23.241 29.482 1.00 63.55 ATOM 417 CG LEU 27 12.638 -21.939 28.877 1.00 12.45 ATOM 418 HG LEU 27 12.789 -20.885 28.724 1.00 0.42 ATOM 419 CD1 LEU 27 13.596 -22.399 29.965 1.00 61.01 ATOM 420 HD11 LEU 27 13.473 -23.460 30.135 1.00 73.21 ATOM 421 HD12 LEU 27 13.391 -21.863 30.881 1.00 1.44 ATOM 422 HD13 LEU 27 14.614 -22.201 29.659 1.00 2.02 ATOM 423 CD2 LEU 27 12.949 -22.634 27.560 1.00 2.12 ATOM 424 HD21 LEU 27 13.968 -22.420 27.269 1.00 14.44 ATOM 425 HD22 LEU 27 12.278 -22.274 26.793 1.00 41.30 ATOM 426 HD23 LEU 27 12.825 -23.703 27.672 1.00 75.53 ATOM 427 C LEU 27 11.164 -19.988 30.460 1.00 63.12 ATOM 428 O LEU 27 10.767 -19.236 29.570 1.00 22.43 ATOM 429 N GLU 28 12.013 -19.604 31.408 1.00 13.33 ATOM 430 HN GLU 28 12.295 -20.252 32.098 1.00 38.98 ATOM 431 CA GLU 28 12.536 -18.244 31.458 1.00 4.33 ATOM 432 HA GLU 28 11.713 -17.581 31.688 1.00 64.45 ATOM 433 CB GLU 28 13.593 -18.120 32.559 1.00 74.45 ATOM 434 HB1 GLU 28 13.201 -18.556 33.468 1.00 38.98 ATOM 435 HB2 GLU 28 13.793 -17.072 32.730 1.00 31.50 ATOM 436 CG GLU 28 14.905 -18.809 32.222 1.00 12.35 ATOM 437 HG1 GLU 28 15.331 -18.357 31.339 1.00 38.98 ATOM 438 HG2 GLU 28 14.713 -19.854 32.032 1.00 74.04 ATOM 439 CD GLU 28 15.924 -18.699 33.340 1.00 71.30 ATOM 440 OE1 GLU 28 16.154 -19.711 34.035 1.00 0.20 ATOM 441 OE2 GLU 28 16.492 -17.601 33.519 1.00 74.31 ATOM 442 C GLU 28 13.137 -17.842 30.114 1.00 20.22 ATOM 443 O GLU 28 13.558 -18.694 29.331 1.00 4.53 ATOM 444 N SER 29 13.172 -16.539 29.854 1.00 71.21 ATOM 445 HN SER 29 12.835 -15.902 30.529 1.00 38.98 ATOM 446 CA SER 29 13.716 -16.024 28.603 1.00 4.11 ATOM 447 HA SER 29 13.461 -16.721 27.829 1.00 43.30 ATOM 448 CB SER 29 13.100 -14.662 28.276 1.00 33.44 ATOM 449 HB1 SER 29 12.197 -14.519 28.856 1.00 38.98 ATOM 450 HB2 SER 29 12.854 -14.612 27.231 1.00 3.24 ATOM 451 OG SER 29 13.999 -13.610 28.578 1.00 42.43 ATOM 452 HG SER 29 13.976 -13.425 29.521 1.00 23.43 ATOM 453 C SER 29 15.235 -15.901 28.681 1.00 21.35 ATOM 454 O SER 29 15.826 -15.865 29.761 1.00 32.31 ATOM 455 N PRO 30 15.884 -15.836 27.509 1.00 12.33 ATOM 456 CA PRO 30 17.342 -15.716 27.417 1.00 11.20 ATOM 457 HA PRO 30 17.841 -16.492 27.981 1.00 42.52 ATOM 458 CB PRO 30 17.620 -15.907 25.924 1.00 52.21 ATOM 459 HB1 PRO 30 17.823 -16.947 25.754 1.00 38.98 ATOM 460 HB2 PRO 30 18.462 -15.314 25.593 1.00 33.31 ATOM 461 CG PRO 30 16.358 -15.494 25.248 1.00 41.11 ATOM 462 HG1 PRO 30 16.254 -16.020 24.310 1.00 38.98 ATOM 463 HG2 PRO 30 16.362 -14.427 25.083 1.00 22.43 ATOM 464 CD PRO 30 15.244 -15.873 26.184 1.00 73.14 ATOM 465 HD1 PRO 30 14.894 -16.865 25.957 1.00 38.98 ATOM 466 HD2 PRO 30 14.449 -15.161 26.101 1.00 5.23 ATOM 467 C PRO 30 17.842 -14.352 27.882 1.00 71.23 ATOM 468 O PRO 30 17.082 -13.555 28.431 1.00 12.33 ATOM 469 N LYS 31 19.125 -14.090 27.657 1.00 11.24 ATOM 470 HN LYS 31 19.701 -14.781 27.258 1.00 38.98 ATOM 471 CA LYS 31 19.727 -12.822 28.051 1.00 3.32 ATOM 472 HA LYS 31 18.998 -12.230 28.594 1.00 72.54 ATOM 473 CB LYS 31 20.936 -13.067 28.956 1.00 25.25 ATOM 474 HB1 LYS 31 21.616 -12.225 28.883 1.00 38.98 ATOM 475 HB2 LYS 31 21.458 -13.955 28.624 1.00 51.20 ATOM 476 CG LYS 31 20.575 -13.231 30.423 1.00 43.43 ATOM 477 HG1 LYS 31 19.900 -12.438 30.717 1.00 38.98 ATOM 478 HG2 LYS 31 21.483 -13.163 31.006 1.00 63.34 ATOM 479 CD LYS 31 19.912 -14.572 30.687 1.00 13.45 ATOM 480 HD1 LYS 31 20.496 -15.360 30.228 1.00 38.98 ATOM 481 HD2 LYS 31 18.924 -14.564 30.265 1.00 72.44 ATOM 482 CE LYS 31 19.802 -14.855 32.178 1.00 43.31 ATOM 483 HE1 LYS 31 20.666 -14.453 32.694 1.00 38.98 ATOM 484 HE2 LYS 31 19.773 -15.925 32.320 1.00 64.31 ATOM 485 NZ LYS 31 18.567 -14.266 32.765 1.00 2.52 ATOM 486 HZ1 LYS 31 17.722 -14.664 32.305 1.00 35.40 ATOM 487 HZ2 LYS 31 18.563 -13.233 32.639 1.00 72.13 ATOM 488 HZ3 LYS 31 18.523 -14.477 33.783 1.00 33.40 ATOM 489 C LYS 31 20.151 -12.017 26.827 1.00 51.05 ATOM 490 O LYS 31 20.251 -10.791 26.880 1.00 32.03 ATOM 491 N LYS 32 20.398 -12.714 25.723 1.00 74.04 ATOM 492 HN LYS 32 20.346 -13.692 25.733 1.00 38.98 ATOM 493 CA LYS 32 20.808 -12.065 24.483 1.00 74.10 ATOM 494 HA LYS 32 20.342 -11.088 24.429 1.00 51.10 ATOM 495 CB LYS 32 22.327 -11.888 24.454 1.00 25.33 ATOM 496 HB1 LYS 32 22.601 -11.217 25.255 1.00 38.98 ATOM 497 HB2 LYS 32 22.624 -11.436 23.518 1.00 63.44 ATOM 498 CG LYS 32 23.094 -13.184 24.655 1.00 4.21 ATOM 499 HG1 LYS 32 22.550 -14.017 24.225 1.00 38.98 ATOM 500 HG2 LYS 32 23.207 -13.349 25.716 1.00 54.13 ATOM 501 CD LYS 32 24.479 -13.115 24.033 1.00 52.44 ATOM 502 HD1 LYS 32 25.109 -13.847 24.518 1.00 38.98 ATOM 503 HD2 LYS 32 24.901 -12.129 24.180 1.00 74.41 ATOM 504 CE LYS 32 24.436 -13.419 22.543 1.00 71.10 ATOM 505 HE1 LYS 32 24.083 -12.545 22.017 1.00 38.98 ATOM 506 HE2 LYS 32 23.764 -14.242 22.370 1.00 20.23 ATOM 507 NZ LYS 32 25.776 -13.796 22.015 1.00 24.11 ATOM 508 HZ1 LYS 32 25.712 -13.998 20.997 1.00 5.54 ATOM 509 HZ2 LYS 32 26.131 -14.646 22.500 1.00 53.43 ATOM 510 HZ3 LYS 32 26.454 -13.018 22.159 1.00 4.12 ATOM 511 C LYS 32 20.356 -12.873 23.271 1.00 63.24 ATOM 512 O LYS 32 19.652 -13.875 23.405 1.00 2.45 ATOM 513 N THR 33 20.767 -12.433 22.085 1.00 21.12 ATOM 514 HN THR 33 21.291 -11.603 22.026 1.00 38.98 ATOM 515 CA THR 33 20.405 -13.116 20.849 1.00 4.53 ATOM 516 HA THR 33 19.335 -12.991 20.717 1.00 22.54 ATOM 517 CB THR 33 21.130 -12.502 19.636 1.00 14.11 ATOM 518 HB THR 33 22.098 -12.977 19.514 1.00 35.15 ATOM 519 OG1 THR 33 21.335 -11.100 19.845 1.00 34.34 ATOM 520 HG1 THR 33 22.236 -10.942 20.140 1.00 40.03 ATOM 521 CG2 THR 33 20.328 -12.718 18.361 1.00 11.44 ATOM 522 HG21 THR 33 20.200 -13.777 18.188 1.00 2.41 ATOM 523 HG22 THR 33 20.856 -12.280 17.527 1.00 5.03 ATOM 524 HG23 THR 33 19.359 -12.249 18.458 1.00 71.15 ATOM 525 C THR 33 20.735 -14.602 20.925 1.00 0.12 ATOM 526 O THR 33 21.821 -14.985 21.361 1.00 42.31 ATOM 527 N ILE 34 19.792 -15.435 20.498 1.00 11.21 ATOM 528 HN ILE 34 18.945 -15.072 20.146 1.00 38.98 ATOM 529 CA ILE 34 19.984 -16.880 20.516 1.00 1.44 ATOM 530 HA ILE 34 20.671 -17.129 21.318 1.00 73.32 ATOM 531 CB ILE 34 18.659 -17.620 20.777 1.00 23.43 ATOM 532 HB ILE 34 18.000 -17.457 19.935 1.00 24.22 ATOM 533 CG1 ILE 34 17.987 -17.078 22.040 1.00 75.11 ATOM 534 HG11 ILE 34 17.027 -17.561 22.159 1.00 38.98 ATOM 535 HG12 ILE 34 17.830 -16.013 21.944 1.00 1.42 ATOM 536 CG2 ILE 34 18.905 -19.117 20.902 1.00 11.43 ATOM 537 HG21 ILE 34 19.697 -19.311 21.610 1.00 5.34 ATOM 538 HG22 ILE 34 19.183 -19.511 19.945 1.00 25.14 ATOM 539 HG23 ILE 34 18.001 -19.611 21.234 1.00 75.22 ATOM 540 CD1 ILE 34 18.784 -17.322 23.302 1.00 70.31 ATOM 541 HD11 ILE 34 18.191 -17.910 23.985 1.00 0.13 ATOM 542 HD12 ILE 34 19.022 -16.375 23.753 1.00 71.32 ATOM 543 HD13 ILE 34 19.706 -17.843 23.097 1.00 50.25 ATOM 544 C ILE 34 20.578 -17.372 19.201 1.00 4.22 ATOM 545 O ILE 34 19.858 -17.841 18.320 1.00 65.01 ATOM 546 N SER 35 21.897 -17.263 19.077 1.00 43.14 ATOM 547 HN SER 35 22.422 -16.887 19.824 1.00 38.98 ATOM 548 CA SER 35 22.589 -17.695 17.868 1.00 62.10 ATOM 549 HA SER 35 22.100 -17.241 17.015 1.00 13.35 ATOM 550 CB SER 35 24.048 -17.235 17.898 1.00 61.20 ATOM 551 HB1 SER 35 24.623 -17.779 17.158 1.00 38.98 ATOM 552 HB2 SER 35 24.464 -17.419 18.878 1.00 51.30 ATOM 553 OG SER 35 24.153 -15.851 17.611 1.00 35.45 ATOM 554 HG SER 35 23.948 -15.341 18.399 1.00 41.44 ATOM 555 C SER 35 22.525 -19.212 17.719 1.00 63.15 ATOM 556 O SER 35 22.603 -19.741 16.610 1.00 75.43 ATOM 557 N ASP 36 22.384 -19.905 18.843 1.00 71.42 ATOM 558 HN ASP 36 22.328 -19.440 19.706 1.00 38.98 ATOM 559 CA ASP 36 22.308 -21.362 18.839 1.00 44.24 ATOM 560 HA ASP 36 22.290 -21.721 17.819 1.00 31.35 ATOM 561 CB ASP 36 23.543 -21.960 19.514 1.00 4.33 ATOM 562 HB1 ASP 36 24.375 -21.903 18.827 1.00 38.98 ATOM 563 HB2 ASP 36 23.365 -22.999 19.763 1.00 32.33 ATOM 564 CG ASP 36 23.926 -21.219 20.780 1.00 4.13 ATOM 565 OD1 ASP 36 23.565 -21.693 21.878 1.00 52.10 ATOM 566 OD2 ASP 36 24.588 -20.166 20.674 1.00 44.33 ATOM 567 C ASP 36 21.044 -21.842 19.544 1.00 23.45 ATOM 568 O ASP 36 21.084 -22.349 20.666 1.00 65.54 ATOM 569 N PRO 37 19.894 -21.679 18.875 1.00 73.13 ATOM 570 CA PRO 37 18.596 -22.089 19.419 1.00 72.41 ATOM 571 HA PRO 37 18.421 -21.674 20.397 1.00 65.21 ATOM 572 CB PRO 37 17.592 -21.505 18.422 1.00 43.32 ATOM 573 HB1 PRO 37 17.268 -20.536 18.770 1.00 38.98 ATOM 574 HB2 PRO 37 16.731 -22.154 18.315 1.00 3.14 ATOM 575 CG PRO 37 18.351 -21.387 17.145 1.00 22.52 ATOM 576 HG1 PRO 37 17.945 -20.583 16.549 1.00 38.98 ATOM 577 HG2 PRO 37 18.303 -22.319 16.602 1.00 61.25 ATOM 578 CD PRO 37 19.771 -21.082 17.534 1.00 22.12 ATOM 579 HD1 PRO 37 19.929 -20.023 17.565 1.00 38.98 ATOM 580 HD2 PRO 37 20.449 -21.546 16.835 1.00 53.30 ATOM 581 C PRO 37 18.451 -23.606 19.493 1.00 4.50 ATOM 582 O PRO 37 17.773 -24.131 20.375 1.00 12.50 ATOM 583 N GLU 38 19.094 -24.303 18.562 1.00 62.04 ATOM 584 HN GLU 38 19.612 -23.832 17.869 1.00 38.98 ATOM 585 CA GLU 38 19.036 -25.759 18.523 1.00 71.53 ATOM 586 HA GLU 38 17.998 -26.049 18.434 1.00 70.51 ATOM 587 CB GLU 38 19.813 -26.291 17.317 1.00 61.14 ATOM 588 HB1 GLU 38 19.998 -27.351 17.456 1.00 38.98 ATOM 589 HB2 GLU 38 20.761 -25.776 17.257 1.00 51.41 ATOM 590 CG GLU 38 19.087 -26.105 15.995 1.00 61.52 ATOM 591 HG1 GLU 38 19.159 -25.067 15.704 1.00 38.98 ATOM 592 HG2 GLU 38 18.046 -26.372 16.120 1.00 10.54 ATOM 593 CD GLU 38 19.666 -26.962 14.886 1.00 62.32 ATOM 594 OE1 GLU 38 19.867 -28.173 15.114 1.00 31.31 ATOM 595 OE2 GLU 38 19.918 -26.421 13.789 1.00 43.21 ATOM 596 C GLU 38 19.597 -26.361 19.808 1.00 14.02 ATOM 597 O GLU 38 19.111 -27.383 20.291 1.00 24.14 ATOM 598 N GLY 39 20.623 -25.718 20.357 1.00 62.31 ATOM 599 HN GLY 39 20.993 -24.914 19.932 1.00 38.98 ATOM 600 CA GLY 39 21.234 -26.204 21.580 1.00 21.04 ATOM 601 HA1 GLY 39 22.266 -25.885 21.596 1.00 38.98 ATOM 602 HA2 GLY 39 21.209 -27.287 21.602 1.00 1.43 ATOM 603 C GLY 39 20.548 -25.671 22.822 1.00 1.43 ATOM 604 O GLY 39 20.369 -26.396 23.801 1.00 14.52 ATOM 605 N PHE 40 20.165 -24.399 22.785 1.00 54.25 ATOM 606 HN PHE 40 20.348 -23.860 21.979 1.00 38.98 ATOM 607 CA PHE 40 19.497 -23.768 23.917 1.00 53.42 ATOM 608 HA PHE 40 20.184 -23.765 24.752 1.00 4.23 ATOM 609 CB PHE 40 19.126 -22.323 23.577 1.00 40.42 ATOM 610 HB1 PHE 40 18.551 -22.317 22.660 1.00 38.98 ATOM 611 HB2 PHE 40 20.036 -21.757 23.420 1.00 43.53 ATOM 612 CG PHE 40 18.325 -21.641 24.649 1.00 4.13 ATOM 613 CD1 PHE 40 18.953 -21.081 25.750 1.00 0.42 ATOM 614 HD1 PHE 40 20.030 -21.135 25.837 1.00 24.13 ATOM 615 CD2 PHE 40 16.945 -21.560 24.556 1.00 4.23 ATOM 616 HD2 PHE 40 16.440 -21.992 23.703 1.00 44.55 ATOM 617 CE1 PHE 40 18.218 -20.453 26.739 1.00 65.42 ATOM 618 HE1 PHE 40 18.719 -20.021 27.593 1.00 64.24 ATOM 619 CE2 PHE 40 16.206 -20.933 25.542 1.00 74.54 ATOM 620 HE2 PHE 40 15.135 -20.882 25.465 1.00 15.01 ATOM 621 CZ PHE 40 16.843 -20.379 26.634 1.00 43.32 ATOM 622 HZ PHE 40 16.267 -19.889 27.405 1.00 2.40 ATOM 623 C PHE 40 18.245 -24.546 24.313 1.00 44.21 ATOM 624 O PHE 40 17.860 -24.571 25.483 1.00 62.03 ATOM 625 N LEU 41 17.614 -25.179 23.330 1.00 23.24 ATOM 626 HN LEU 41 17.945 -25.106 22.406 1.00 38.98 ATOM 627 CA LEU 41 16.406 -25.959 23.575 1.00 55.53 ATOM 628 HA LEU 41 15.804 -25.434 24.303 1.00 33.23 ATOM 629 CB LEU 41 15.608 -26.119 22.279 1.00 23.42 ATOM 630 HB1 LEU 41 14.978 -26.995 22.352 1.00 38.98 ATOM 631 HB2 LEU 41 16.321 -26.287 21.485 1.00 24.34 ATOM 632 CG LEU 41 14.728 -24.934 21.881 1.00 3.00 ATOM 633 HG LEU 41 15.324 -24.034 21.891 1.00 4.34 ATOM 634 CD1 LEU 41 14.186 -25.121 20.473 1.00 61.15 ATOM 635 HD11 LEU 41 13.759 -24.200 20.145 1.00 11.00 ATOM 636 HD12 LEU 41 13.430 -25.895 20.464 1.00 13.51 ATOM 637 HD13 LEU 41 14.988 -25.400 19.806 1.00 74.40 ATOM 638 CD2 LEU 41 13.589 -24.758 22.874 1.00 31.32 ATOM 639 HD21 LEU 41 13.987 -24.547 23.854 1.00 44.41 ATOM 640 HD22 LEU 41 12.996 -25.661 22.915 1.00 45.35 ATOM 641 HD23 LEU 41 12.961 -23.933 22.563 1.00 34.15 ATOM 642 C LEU 41 16.748 -27.330 24.148 1.00 43.21 ATOM 643 O LEU 41 16.118 -27.790 25.099 1.00 11.15 ATOM 644 N GLN 42 17.752 -27.976 23.563 1.00 10.13 ATOM 645 HN GLN 42 18.214 -27.562 22.795 1.00 38.98 ATOM 646 CA GLN 42 18.179 -29.294 24.017 1.00 1.15 ATOM 647 HA GLN 42 17.359 -29.982 23.862 1.00 24.23 ATOM 648 CB GLN 42 19.385 -29.770 23.206 1.00 73.55 ATOM 649 HB1 GLN 42 20.215 -29.095 23.370 1.00 38.98 ATOM 650 HB2 GLN 42 19.119 -29.739 22.158 1.00 74.14 ATOM 651 CG GLN 42 19.818 -31.190 23.535 1.00 15.01 ATOM 652 HG1 GLN 42 20.273 -31.617 22.653 1.00 38.98 ATOM 653 HG2 GLN 42 18.949 -31.779 23.801 1.00 21.55 ATOM 654 CD GLN 42 20.827 -31.245 24.665 1.00 41.23 ATOM 655 OE1 GLN 42 21.772 -30.457 24.707 1.00 1.50 ATOM 656 NE2 GLN 42 20.632 -32.179 25.588 1.00 1.45 ATOM 657 HE21 GLN 42 19.860 -32.784 25.505 1.00 3.22 ATOM 658 HE22 GLN 42 21.274 -32.229 26.327 1.00 33.32 ATOM 659 C GLN 42 18.528 -29.272 25.502 1.00 14.41 ATOM 660 O GLN 42 18.171 -30.184 26.247 1.00 12.31 ATOM 661 N ALA 43 19.227 -28.224 25.925 1.00 43.31 ATOM 662 HN ALA 43 19.494 -27.526 25.281 1.00 38.98 ATOM 663 CA ALA 43 19.623 -28.082 27.321 1.00 54.04 ATOM 664 HA ALA 43 20.167 -28.972 27.613 1.00 44.25 ATOM 665 CB ALA 43 20.554 -26.890 27.487 1.00 32.20 ATOM 666 HB1 ALA 43 21.411 -27.013 26.841 1.00 41.41 ATOM 667 HB2 ALA 43 20.887 -26.828 28.514 1.00 4.53 ATOM 668 HB3 ALA 43 20.033 -25.981 27.221 1.00 10.34 ATOM 669 C ALA 43 18.403 -27.933 28.224 1.00 22.22 ATOM 670 O ALA 43 18.284 -28.618 29.240 1.00 23.01 ATOM 671 N SER 44 17.500 -27.034 27.848 1.00 52.31 ATOM 672 HN SER 44 17.651 -26.516 27.021 1.00 38.98 ATOM 673 CA SER 44 16.291 -26.792 28.627 1.00 3.12 ATOM 674 HA SER 44 16.582 -26.584 29.649 1.00 74.03 ATOM 675 CB SER 44 15.536 -25.582 28.074 1.00 2.44 ATOM 676 HB1 SER 44 14.470 -25.706 28.224 1.00 38.98 ATOM 677 HB2 SER 44 15.732 -25.477 27.016 1.00 5.43 ATOM 678 OG SER 44 15.934 -24.390 28.730 1.00 53.43 ATOM 679 HG SER 44 16.761 -24.076 28.356 1.00 61.51 ATOM 680 C SER 44 15.385 -28.019 28.618 1.00 15.22 ATOM 681 O SER 44 14.594 -28.228 29.539 1.00 11.03 ATOM 682 N LEU 45 15.505 -28.827 27.571 1.00 34.41 ATOM 683 HN LEU 45 16.140 -28.611 26.851 1.00 38.98 ATOM 684 CA LEU 45 14.696 -30.035 27.440 1.00 4.12 ATOM 685 HA LEU 45 13.726 -29.856 27.890 1.00 74.01 ATOM 686 CB LEU 45 14.488 -30.375 25.963 1.00 32.15 ATOM 687 HB1 LEU 45 14.008 -31.331 25.898 1.00 38.98 ATOM 688 HB2 LEU 45 15.469 -30.457 25.515 1.00 10.42 ATOM 689 CG LEU 45 13.661 -29.375 25.155 1.00 42.15 ATOM 690 HG LEU 45 13.908 -28.370 25.460 1.00 71.24 ATOM 691 CD1 LEU 45 13.970 -29.504 23.671 1.00 54.10 ATOM 692 HD11 LEU 45 14.985 -29.848 23.513 1.00 43.34 ATOM 693 HD12 LEU 45 13.853 -28.539 23.210 1.00 31.01 ATOM 694 HD13 LEU 45 13.283 -30.184 23.215 1.00 14.42 ATOM 695 CD2 LEU 45 12.175 -29.579 25.412 1.00 24.41 ATOM 696 HD21 LEU 45 11.837 -30.474 24.910 1.00 33.22 ATOM 697 HD22 LEU 45 11.628 -28.728 25.041 1.00 43.00 ATOM 698 HD23 LEU 45 11.994 -29.675 26.475 1.00 33.32 ATOM 699 C LEU 45 15.353 -31.210 28.157 1.00 65.23 ATOM 700 O LEU 45 14.687 -32.176 28.530 1.00 54.33 ATOM 701 N LYS 46 16.665 -31.121 28.348 1.00 23.21 ATOM 702 HN LYS 46 17.157 -30.346 28.002 1.00 38.98 ATOM 703 CA LYS 46 17.414 -32.175 29.023 1.00 13.23 ATOM 704 HA LYS 46 17.394 -33.049 28.386 1.00 11.10 ATOM 705 CB LYS 46 18.864 -31.739 29.242 1.00 43.25 ATOM 706 HB1 LYS 46 18.928 -31.117 30.126 1.00 38.98 ATOM 707 HB2 LYS 46 19.182 -31.155 28.388 1.00 34.42 ATOM 708 CG LYS 46 19.833 -32.900 29.387 1.00 41.55 ATOM 709 HG1 LYS 46 19.955 -33.375 28.424 1.00 38.98 ATOM 710 HG2 LYS 46 19.418 -33.600 30.081 1.00 51.13 ATOM 711 CD LYS 46 21.191 -32.433 29.883 1.00 65.40 ATOM 712 HD1 LYS 46 21.317 -31.373 29.694 1.00 38.98 ATOM 713 HD2 LYS 46 21.954 -32.980 29.349 1.00 23.50 ATOM 714 CE LYS 46 21.363 -32.700 31.371 1.00 72.24 ATOM 715 HE1 LYS 46 22.414 -32.857 31.565 1.00 38.98 ATOM 716 HE2 LYS 46 20.822 -33.583 31.661 1.00 14.43 ATOM 717 NZ LYS 46 20.901 -31.551 32.197 1.00 14.10 ATOM 718 HZ1 LYS 46 21.413 -30.683 31.933 1.00 30.32 ATOM 719 HZ2 LYS 46 21.076 -31.746 33.203 1.00 54.33 ATOM 720 HZ3 LYS 46 19.882 -31.396 32.062 1.00 2.12 ATOM 721 C LYS 46 16.771 -32.527 30.361 1.00 70.20 ATOM 722 O LYS 46 16.388 -33.674 30.594 1.00 63.05 ATOM 723 N ASP 47 16.654 -31.534 31.236 1.00 63.33 ATOM 724 HN ASP 47 16.945 -30.633 30.965 1.00 38.98 ATOM 725 CA ASP 47 16.055 -31.739 32.549 1.00 22.24 ATOM 726 HA ASP 47 16.636 -32.488 33.070 1.00 64.12 ATOM 727 CB ASP 47 16.088 -30.441 33.357 1.00 44.42 ATOM 728 HB1 ASP 47 15.937 -30.671 34.402 1.00 38.98 ATOM 729 HB2 ASP 47 15.299 -29.780 33.020 1.00 11.45 ATOM 730 CG ASP 47 17.405 -29.703 33.213 1.00 21.13 ATOM 731 OD1 ASP 47 18.211 -29.735 34.167 1.00 33.23 ATOM 732 OD2 ASP 47 17.631 -29.094 32.147 1.00 74.54 ATOM 733 C ASP 47 14.619 -32.236 32.420 1.00 14.31 ATOM 734 O ASP 47 14.213 -33.178 33.100 1.00 41.43 ATOM 735 N GLY 48 13.853 -31.594 31.543 1.00 75.11 ATOM 736 HN GLY 48 14.216 -30.840 31.026 1.00 38.98 ATOM 737 CA GLY 48 12.469 -31.984 31.341 1.00 3.24 ATOM 738 HA1 GLY 48 12.360 -33.047 31.473 1.00 38.98 ATOM 739 HA2 GLY 48 12.198 -31.741 30.323 1.00 34.11 ATOM 740 C GLY 48 11.520 -31.254 32.271 1.00 20.42 ATOM 741 O GLY 48 10.306 -31.274 32.071 1.00 75.12 ATOM 742 N VAL 49 12.074 -30.610 33.293 1.00 11.41 ATOM 743 HN VAL 49 13.039 -30.586 33.386 1.00 38.98 ATOM 744 CA VAL 49 11.268 -29.871 34.258 1.00 3.11 ATOM 745 HA VAL 49 10.681 -30.586 34.820 1.00 72.43 ATOM 746 CB VAL 49 12.154 -29.085 35.243 1.00 14.33 ATOM 747 HB VAL 49 12.755 -28.383 34.681 1.00 54.43 ATOM 748 CG1 VAL 49 11.295 -28.298 36.222 1.00 21.21 ATOM 749 HG11 VAL 49 10.546 -28.945 36.659 1.00 4.21 ATOM 750 HG12 VAL 49 10.810 -27.481 35.710 1.00 32.54 ATOM 751 HG13 VAL 49 11.917 -27.893 37.010 1.00 13.34 ATOM 752 CG2 VAL 49 13.093 -30.026 35.982 1.00 2.51 ATOM 753 HG21 VAL 49 13.757 -30.509 35.283 1.00 61.42 ATOM 754 HG22 VAL 49 12.517 -30.770 36.499 1.00 3.34 ATOM 755 HG23 VAL 49 13.679 -29.466 36.699 1.00 61.43 ATOM 756 C VAL 49 10.323 -28.902 33.557 1.00 35.23 ATOM 757 O VAL 49 9.239 -28.602 34.060 1.00 63.44 ATOM 758 N VAL 50 10.739 -28.415 32.393 1.00 60.34 ATOM 759 HN VAL 50 11.623 -28.663 32.042 1.00 38.98 ATOM 760 CA VAL 50 9.928 -27.481 31.621 1.00 64.13 ATOM 761 HA VAL 50 9.413 -26.821 32.313 1.00 60.42 ATOM 762 CB VAL 50 10.801 -26.614 30.693 1.00 31.35 ATOM 763 HB VAL 50 11.221 -27.245 29.919 1.00 73.31 ATOM 764 CG1 VAL 50 9.962 -25.537 30.024 1.00 53.31 ATOM 765 HG11 VAL 50 10.569 -25.031 29.294 1.00 13.11 ATOM 766 HG12 VAL 50 9.615 -24.827 30.761 1.00 42.14 ATOM 767 HG13 VAL 50 9.112 -25.974 29.522 1.00 61.30 ATOM 768 CG2 VAL 50 11.954 -25.997 31.471 1.00 70.53 ATOM 769 HG21 VAL 50 11.566 -25.410 32.292 1.00 33.01 ATOM 770 HG22 VAL 50 12.531 -25.357 30.817 1.00 25.14 ATOM 771 HG23 VAL 50 12.596 -26.773 31.856 1.00 74.24 ATOM 772 C VAL 50 8.890 -28.217 30.782 1.00 63.54 ATOM 773 O VAL 50 7.770 -27.739 30.599 1.00 2.40 ATOM 774 N LEU 51 9.269 -29.385 30.273 1.00 12.12 ATOM 775 HN LEU 51 10.187 -29.708 30.425 1.00 38.98 ATOM 776 CA LEU 51 8.370 -30.190 29.453 1.00 42.32 ATOM 777 HA LEU 51 8.188 -29.651 28.536 1.00 61.53 ATOM 778 CB LEU 51 9.012 -31.541 29.133 1.00 44.42 ATOM 779 HB1 LEU 51 8.245 -32.203 28.788 1.00 38.98 ATOM 780 HB2 LEU 51 9.417 -31.948 30.043 1.00 44.43 ATOM 781 CG LEU 51 10.115 -31.525 28.074 1.00 62.53 ATOM 782 HG LEU 51 10.892 -30.841 28.383 1.00 23.10 ATOM 783 CD1 LEU 51 10.736 -32.906 27.930 1.00 71.34 ATOM 784 HD11 LEU 51 11.547 -32.867 27.216 1.00 14.33 ATOM 785 HD12 LEU 51 9.989 -33.609 27.588 1.00 2.14 ATOM 786 HD13 LEU 51 11.119 -33.228 28.888 1.00 71.25 ATOM 787 CD2 LEU 51 9.566 -31.044 26.739 1.00 41.42 ATOM 788 HD21 LEU 51 9.482 -29.968 26.755 1.00 3.32 ATOM 789 HD22 LEU 51 8.588 -31.475 26.563 1.00 50.55 ATOM 790 HD23 LEU 51 10.223 -31.339 25.938 1.00 64.23 ATOM 791 C LEU 51 7.034 -30.403 30.157 1.00 2.02 ATOM 792 O LEU 51 5.980 -30.047 29.630 1.00 15.22 ATOM 793 N CYS 52 7.087 -30.984 31.351 1.00 52.33 ATOM 794 HN CYS 52 7.965 -31.252 31.715 1.00 38.98 ATOM 795 CA CYS 52 5.880 -31.243 32.129 1.00 64.24 ATOM 796 HA CYS 52 5.281 -31.956 31.579 1.00 42.22 ATOM 797 CB CYS 52 6.245 -31.817 33.498 1.00 25.32 ATOM 798 HB1 CYS 52 5.641 -31.356 34.271 1.00 38.98 ATOM 799 HB2 CYS 52 7.285 -31.616 33.706 1.00 4.32 ATOM 800 SG CYS 52 6.007 -33.604 33.637 1.00 61.31 ATOM 801 HG CYS 52 7.195 -34.183 33.545 1.00 23.35 ATOM 802 C CYS 52 5.060 -29.969 32.300 1.00 34.20 ATOM 803 O CYS 52 3.854 -29.958 32.053 1.00 54.13 ATOM 804 N ARG 53 5.721 -28.898 32.726 1.00 20.24 ATOM 805 HN ARG 53 6.688 -28.970 32.913 1.00 38.98 ATOM 806 CA ARG 53 5.052 -27.620 32.934 1.00 41.40 ATOM 807 HA ARG 53 4.331 -27.745 33.731 1.00 1.42 ATOM 808 CB ARG 53 6.067 -26.548 33.336 1.00 62.01 ATOM 809 HB1 ARG 53 5.618 -25.569 33.215 1.00 38.98 ATOM 810 HB2 ARG 53 6.927 -26.620 32.685 1.00 50.33 ATOM 811 CG ARG 53 6.543 -26.669 34.774 1.00 23.13 ATOM 812 HG1 ARG 53 7.030 -27.622 34.892 1.00 38.98 ATOM 813 HG2 ARG 53 5.685 -26.618 35.430 1.00 52.35 ATOM 814 CD ARG 53 7.514 -25.556 35.135 1.00 1.33 ATOM 815 HD1 ARG 53 7.237 -24.651 34.606 1.00 38.98 ATOM 816 HD2 ARG 53 8.509 -25.849 34.834 1.00 43.32 ATOM 817 NE ARG 53 7.509 -25.268 36.567 1.00 12.30 ATOM 818 HE ARG 53 7.132 -24.406 36.852 1.00 14.20 ATOM 819 CZ ARG 53 7.981 -26.102 37.486 1.00 34.53 ATOM 820 NH1 ARG 53 8.493 -27.271 37.125 1.00 1.31 ATOM 821 HH11 ARG 53 8.553 -27.551 36.177 1.00 63.25 ATOM 822 HH12 ARG 53 8.832 -27.896 37.832 1.00 12.03 ATOM 823 NH2 ARG 53 7.941 -25.769 38.770 1.00 52.00 ATOM 824 HH21 ARG 53 7.555 -24.888 39.050 1.00 24.00 ATOM 825 HH22 ARG 53 8.297 -26.397 39.465 1.00 51.20 ATOM 826 C ARG 53 4.309 -27.184 31.675 1.00 74.34 ATOM 827 O ARG 53 3.174 -26.710 31.743 1.00 33.12 ATOM 828 N LEU 54 4.955 -27.348 30.526 1.00 43.21 ATOM 829 HN LEU 54 5.867 -27.725 30.531 1.00 38.98 ATOM 830 CA LEU 54 4.356 -26.971 29.250 1.00 21.41 ATOM 831 HA LEU 54 4.097 -25.926 29.288 1.00 63.01 ATOM 832 CB LEU 54 5.354 -27.189 28.111 1.00 20.35 ATOM 833 HB1 LEU 54 5.846 -28.134 28.276 1.00 38.98 ATOM 834 HB2 LEU 54 6.101 -26.408 28.167 1.00 34.33 ATOM 835 CG LEU 54 4.769 -27.198 26.699 1.00 41.43 ATOM 836 HG LEU 54 3.979 -27.925 26.643 1.00 25.24 ATOM 837 CD1 LEU 54 4.182 -25.837 26.356 1.00 63.11 ATOM 838 HD11 LEU 54 4.967 -25.101 26.395 1.00 15.02 ATOM 839 HD12 LEU 54 3.409 -25.580 27.067 1.00 44.23 ATOM 840 HD13 LEU 54 3.759 -25.861 25.361 1.00 22.20 ATOM 841 CD2 LEU 54 5.832 -27.593 25.684 1.00 73.22 ATOM 842 HD21 LEU 54 5.450 -27.483 24.687 1.00 41.00 ATOM 843 HD22 LEU 54 6.110 -28.624 25.844 1.00 13.14 ATOM 844 HD23 LEU 54 6.699 -26.971 25.805 1.00 24.22 ATOM 845 C LEU 54 3.085 -27.773 28.988 1.00 41.00 ATOM 846 O LEU 54 2.086 -27.234 28.510 1.00 32.12 ATOM 847 N LEU 55 3.129 -29.062 29.305 1.00 20.24 ATOM 848 HN LEU 55 3.960 -29.443 29.677 1.00 38.98 ATOM 849 CA LEU 55 1.980 -29.939 29.107 1.00 51.44 ATOM 850 HA LEU 55 1.642 -29.818 28.087 1.00 32.15 ATOM 851 CB LEU 55 2.382 -31.398 29.330 1.00 52.43 ATOM 852 HB1 LEU 55 2.781 -31.492 30.331 1.00 38.98 ATOM 853 HB2 LEU 55 3.162 -31.623 28.629 1.00 62.22 ATOM 854 CG LEU 55 1.272 -32.434 29.153 1.00 73.23 ATOM 855 HG LEU 55 0.524 -32.288 29.919 1.00 13.25 ATOM 856 CD1 LEU 55 0.596 -32.267 27.801 1.00 61.25 ATOM 857 HD11 LEU 55 -0.304 -31.695 27.930 1.00 64.15 ATOM 858 HD12 LEU 55 0.342 -33.229 27.375 1.00 1.24 ATOM 859 HD13 LEU 55 1.245 -31.738 27.124 1.00 31.12 ATOM 860 CD2 LEU 55 1.828 -33.843 29.303 1.00 42.53 ATOM 861 HD21 LEU 55 2.634 -33.853 30.024 1.00 62.44 ATOM 862 HD22 LEU 55 2.198 -34.209 28.354 1.00 3.54 ATOM 863 HD23 LEU 55 1.040 -34.482 29.654 1.00 30.24 ATOM 864 C LEU 55 0.840 -29.564 30.048 1.00 53.32 ATOM 865 O LEU 55 -0.328 -29.819 29.755 1.00 0.33 ATOM 866 N GLU 56 1.187 -28.955 31.177 1.00 24.24 ATOM 867 HN GLU 56 2.134 -28.789 31.370 1.00 38.98 ATOM 868 CA GLU 56 0.192 -28.544 32.160 1.00 0.15 ATOM 869 HA GLU 56 -0.573 -29.313 32.215 1.00 22.41 ATOM 870 CB GLU 56 0.840 -28.378 33.537 1.00 60.14 ATOM 871 HB1 GLU 56 0.416 -27.521 34.047 1.00 38.98 ATOM 872 HB2 GLU 56 1.899 -28.198 33.409 1.00 42.11 ATOM 873 CG GLU 56 0.687 -29.596 34.432 1.00 22.01 ATOM 874 HG1 GLU 56 1.436 -29.546 35.209 1.00 38.98 ATOM 875 HG2 GLU 56 0.841 -30.494 33.848 1.00 22.12 ATOM 876 CD GLU 56 -0.678 -29.671 35.087 1.00 75.12 ATOM 877 OE1 GLU 56 -1.109 -30.791 35.434 1.00 63.13 ATOM 878 OE2 GLU 56 -1.317 -28.611 35.252 1.00 1.21 ATOM 879 C GLU 56 -0.479 -27.239 31.742 1.00 74.13 ATOM 880 O GLU 56 -1.660 -27.021 32.014 1.00 1.15 ATOM 881 N ARG 57 0.282 -26.375 31.078 1.00 31.22 ATOM 882 HN ARG 57 1.227 -26.592 30.900 1.00 38.98 ATOM 883 CA ARG 57 -0.238 -25.091 30.623 1.00 21.33 ATOM 884 HA ARG 57 -0.602 -24.556 31.484 1.00 45.13 ATOM 885 CB ARG 57 0.865 -24.285 29.936 1.00 64.15 ATOM 886 HB1 ARG 57 0.424 -23.505 29.329 1.00 38.98 ATOM 887 HB2 ARG 57 1.423 -24.947 29.289 1.00 40.13 ATOM 888 CG ARG 57 1.845 -23.644 30.904 1.00 2.25 ATOM 889 HG1 ARG 57 2.616 -23.170 30.327 1.00 38.98 ATOM 890 HG2 ARG 57 2.275 -24.403 31.539 1.00 63.23 ATOM 891 CD ARG 57 1.167 -22.591 31.767 1.00 44.53 ATOM 892 HD1 ARG 57 1.919 -22.115 32.380 1.00 38.98 ATOM 893 HD2 ARG 57 0.451 -23.084 32.404 1.00 62.40 ATOM 894 NE ARG 57 0.500 -21.571 30.962 1.00 41.22 ATOM 895 HE ARG 57 0.774 -21.474 30.020 1.00 12.51 ATOM 896 CZ ARG 57 -0.444 -20.764 31.433 1.00 30.02 ATOM 897 NH1 ARG 57 -0.830 -20.857 32.698 1.00 24.53 ATOM 898 HH11 ARG 57 -0.427 -21.521 33.322 1.00 64.35 ATOM 899 HH12 ARG 57 -1.546 -20.245 33.041 1.00 0.11 ATOM 900 NH2 ARG 57 -1.004 -19.861 30.639 1.00 52.14 ATOM 901 HH21 ARG 57 -0.717 -19.785 29.682 1.00 21.44 ATOM 902 HH22 ARG 57 -1.717 -19.251 30.993 1.00 24.41 ATOM 903 C ARG 57 -1.411 -25.288 29.667 1.00 43.40 ATOM 904 O ARG 57 -2.384 -24.533 29.698 1.00 70.40 ATOM 905 N LEU 58 -1.311 -26.304 28.818 1.00 60.50 ATOM 906 HN LEU 58 -0.516 -26.885 28.840 1.00 38.98 ATOM 907 CA LEU 58 -2.363 -26.600 27.852 1.00 71.34 ATOM 908 HA LEU 58 -2.943 -25.702 27.673 1.00 24.13 ATOM 909 CB LEU 58 -1.751 -27.047 26.523 1.00 72.51 ATOM 910 HB1 LEU 58 -2.499 -26.927 25.750 1.00 38.98 ATOM 911 HB2 LEU 58 -1.513 -28.105 26.600 1.00 75.14 ATOM 912 CG LEU 58 -0.482 -26.314 26.088 1.00 52.24 ATOM 913 HG LEU 58 0.232 -26.311 26.896 1.00 24.00 ATOM 914 CD1 LEU 58 0.169 -27.025 24.911 1.00 14.23 ATOM 915 HD11 LEU 58 1.237 -26.868 24.955 1.00 70.41 ATOM 916 HD12 LEU 58 -0.203 -26.622 23.984 1.00 61.12 ATOM 917 HD13 LEU 58 -0.032 -28.088 24.948 1.00 1.10 ATOM 918 CD2 LEU 58 -0.797 -24.868 25.731 1.00 34.34 ATOM 919 HD21 LEU 58 -1.495 -24.839 24.906 1.00 73.44 ATOM 920 HD22 LEU 58 0.113 -24.357 25.449 1.00 42.44 ATOM 921 HD23 LEU 58 -1.232 -24.370 26.586 1.00 61.31 ATOM 922 C LEU 58 -3.301 -27.680 28.381 1.00 12.05 ATOM 923 O LEU 58 -4.523 -27.565 28.272 1.00 3.40 ATOM 924 N LEU 59 -2.723 -28.728 28.958 1.00 40.13 ATOM 925 HN LEU 59 -1.741 -28.777 29.019 1.00 38.98 ATOM 926 CA LEU 59 -3.507 -29.828 29.508 1.00 73.24 ATOM 927 HA LEU 59 -4.551 -29.661 29.308 1.00 60.12 ATOM 928 CB LEU 59 -3.096 -31.149 28.856 1.00 61.54 ATOM 929 HB1 LEU 59 -3.497 -31.964 29.451 1.00 38.98 ATOM 930 HB2 LEU 59 -2.026 -31.214 28.883 1.00 32.21 ATOM 931 CG LEU 59 -3.557 -31.358 27.413 1.00 72.32 ATOM 932 HG LEU 59 -3.133 -30.583 26.791 1.00 32.51 ATOM 933 CD1 LEU 59 -3.071 -32.700 26.886 1.00 55.30 ATOM 934 HD11 LEU 59 -3.484 -33.500 27.486 1.00 72.01 ATOM 935 HD12 LEU 59 -1.992 -32.738 26.931 1.00 61.22 ATOM 936 HD13 LEU 59 -3.387 -32.823 25.859 1.00 55.44 ATOM 937 CD2 LEU 59 -5.073 -31.263 27.318 1.00 30.34 ATOM 938 HD21 LEU 59 -5.530 -31.948 28.020 1.00 3.31 ATOM 939 HD22 LEU 59 -5.392 -31.517 26.315 1.00 31.14 ATOM 940 HD23 LEU 59 -5.390 -30.257 27.539 1.00 51.11 ATOM 941 C LEU 59 -3.333 -29.918 31.020 1.00 32.52 ATOM 942 O LEU 59 -2.664 -30.812 31.541 1.00 54.44 ATOM 943 N PRO 60 -3.950 -28.973 31.745 1.00 75.34 ATOM 944 CA PRO 60 -3.881 -28.926 33.208 1.00 22.11 ATOM 945 HA PRO 60 -2.860 -28.929 33.545 1.00 4.11 ATOM 946 CB PRO 60 -4.527 -27.581 33.551 1.00 65.22 ATOM 947 HB1 PRO 60 -3.758 -26.828 33.634 1.00 38.98 ATOM 948 HB2 PRO 60 -5.074 -27.642 34.485 1.00 51.35 ATOM 949 CG PRO 60 -5.433 -27.293 32.404 1.00 22.10 ATOM 950 HG1 PRO 60 -5.551 -26.226 32.288 1.00 38.98 ATOM 951 HG2 PRO 60 -6.392 -27.763 32.567 1.00 54.42 ATOM 952 CD PRO 60 -4.764 -27.878 31.191 1.00 75.32 ATOM 953 HD1 PRO 60 -4.143 -27.131 30.731 1.00 38.98 ATOM 954 HD2 PRO 60 -5.505 -28.244 30.498 1.00 54.24 ATOM 955 C PRO 60 -4.650 -30.069 33.862 1.00 13.53 ATOM 956 O PRO 60 -5.867 -30.177 33.712 1.00 5.21 ATOM 957 N GLY 61 -3.933 -30.920 34.590 1.00 43.54 ATOM 958 HN GLY 61 -2.975 -30.785 34.695 1.00 38.98 ATOM 959 CA GLY 61 -4.566 -32.043 35.256 1.00 5.41 ATOM 960 HA1 GLY 61 -5.645 -31.947 35.233 1.00 38.98 ATOM 961 HA2 GLY 61 -4.248 -32.047 36.288 1.00 54.10 ATOM 962 C GLY 61 -4.185 -33.373 34.638 1.00 60.23 ATOM 963 O GLY 61 -4.912 -34.359 34.769 1.00 4.23 ATOM 964 N THR 62 -3.042 -33.403 33.959 1.00 74.44 ATOM 965 HN THR 62 -2.502 -32.595 33.861 1.00 38.98 ATOM 966 CA THR 62 -2.568 -34.622 33.315 1.00 41.32 ATOM 967 HA THR 62 -3.313 -35.402 33.429 1.00 31.44 ATOM 968 CB THR 62 -2.339 -34.408 31.807 1.00 51.23 ATOM 969 HB THR 62 -1.555 -33.675 31.672 1.00 25.03 ATOM 970 OG1 THR 62 -3.537 -33.919 31.194 1.00 54.21 ATOM 971 HG1 THR 62 -4.266 -34.543 31.311 1.00 73.52 ATOM 972 CG2 THR 62 -1.912 -35.704 31.135 1.00 75.22 ATOM 973 HG21 THR 62 -1.952 -35.577 30.063 1.00 10.03 ATOM 974 HG22 THR 62 -2.577 -36.508 31.423 1.00 62.32 ATOM 975 HG23 THR 62 -0.901 -35.951 31.424 1.00 4.10 ATOM 976 C THR 62 -1.271 -35.110 33.950 1.00 42.22 ATOM 977 O THR 62 -0.952 -36.298 33.897 1.00 43.10 ATOM 978 N ILE 63 -0.527 -34.186 34.550 1.00 74.41 ATOM 979 HN ILE 63 -0.811 -33.249 34.563 1.00 38.98 ATOM 980 CA ILE 63 0.734 -34.524 35.197 1.00 64.23 ATOM 981 HA ILE 63 1.135 -35.418 34.728 1.00 1.15 ATOM 982 CB ILE 63 1.772 -33.399 35.028 1.00 4.02 ATOM 983 HB ILE 63 1.418 -32.522 35.553 1.00 12.24 ATOM 984 CG1 ILE 63 1.945 -33.052 33.548 1.00 61.30 ATOM 985 HG11 ILE 63 2.619 -32.210 33.462 1.00 38.98 ATOM 986 HG12 ILE 63 0.991 -32.778 33.122 1.00 51.01 ATOM 987 CG2 ILE 63 3.103 -33.810 35.640 1.00 2.13 ATOM 988 HG21 ILE 63 2.994 -33.919 36.708 1.00 11.41 ATOM 989 HG22 ILE 63 3.836 -33.042 35.450 1.00 32.43 ATOM 990 HG23 ILE 63 3.443 -34.745 35.221 1.00 11.13 ATOM 991 CD1 ILE 63 2.518 -34.185 32.725 1.00 3.30 ATOM 992 HD11 ILE 63 3.422 -33.850 32.239 1.00 61.14 ATOM 993 HD12 ILE 63 1.799 -34.466 31.972 1.00 63.32 ATOM 994 HD13 ILE 63 2.737 -35.051 33.329 1.00 51.31 ATOM 995 C ILE 63 0.534 -34.797 36.684 1.00 62.34 ATOM 996 O ILE 63 0.356 -33.873 37.476 1.00 45.54 ATOM 997 N GLU 64 0.566 -36.073 37.055 1.00 61.41 ATOM 998 HN GLU 64 0.715 -36.771 36.373 1.00 38.98 ATOM 999 CA GLU 64 0.389 -36.468 38.448 1.00 41.44 ATOM 1000 HA GLU 64 -0.553 -36.066 38.796 1.00 70.40 ATOM 1001 CB GLU 64 0.346 -37.992 38.568 1.00 61.44 ATOM 1002 HB1 GLU 64 1.246 -38.401 38.132 1.00 38.98 ATOM 1003 HB2 GLU 64 -0.509 -38.353 38.011 1.00 30.03 ATOM 1004 CG GLU 64 0.241 -38.487 40.000 1.00 20.43 ATOM 1005 HG1 GLU 64 -0.507 -37.906 40.523 1.00 38.98 ATOM 1006 HG2 GLU 64 1.197 -38.359 40.484 1.00 2.53 ATOM 1007 CD GLU 64 -0.142 -39.952 40.085 1.00 62.21 ATOM 1008 OE1 GLU 64 0.717 -40.809 39.788 1.00 51.42 ATOM 1009 OE2 GLU 64 -1.301 -40.242 40.449 1.00 40.33 ATOM 1010 C GLU 64 1.511 -35.909 39.318 1.00 63.40 ATOM 1011 O GLU 64 1.261 -35.285 40.349 1.00 21.34 ATOM 1012 N LYS 65 2.750 -36.139 38.895 1.00 32.12 ATOM 1013 HN LYS 65 2.891 -36.660 38.069 1.00 38.98 ATOM 1014 CA LYS 65 3.912 -35.660 39.634 1.00 41.23 ATOM 1015 HA LYS 65 3.644 -34.741 40.145 1.00 52.40 ATOM 1016 CB LYS 65 4.342 -36.694 40.677 1.00 75.24 ATOM 1017 HB1 LYS 65 4.542 -37.631 40.178 1.00 38.98 ATOM 1018 HB2 LYS 65 3.524 -36.835 41.371 1.00 75.35 ATOM 1019 CG LYS 65 5.582 -36.293 41.456 1.00 62.42 ATOM 1020 HG1 LYS 65 5.495 -35.256 41.756 1.00 38.98 ATOM 1021 HG2 LYS 65 6.440 -36.409 40.809 1.00 53.51 ATOM 1022 CD LYS 65 5.759 -37.147 42.700 1.00 64.40 ATOM 1023 HD1 LYS 65 5.401 -38.152 42.506 1.00 38.98 ATOM 1024 HD2 LYS 65 5.183 -36.714 43.505 1.00 20.01 ATOM 1025 CE LYS 65 7.220 -37.232 43.115 1.00 44.23 ATOM 1026 HE1 LYS 65 7.852 -36.916 42.301 1.00 38.98 ATOM 1027 HE2 LYS 65 7.448 -38.257 43.364 1.00 32.32 ATOM 1028 NZ LYS 65 7.511 -36.377 44.299 1.00 41.44 ATOM 1029 HZ1 LYS 65 7.301 -35.379 44.086 1.00 10.54 ATOM 1030 HZ2 LYS 65 8.515 -36.457 44.556 1.00 43.45 ATOM 1031 HZ3 LYS 65 6.934 -36.677 45.113 1.00 61.40 ATOM 1032 C LYS 65 5.072 -35.363 38.689 1.00 4.01 ATOM 1033 O LYS 65 5.199 -35.981 37.632 1.00 62.01 ATOM 1034 N VAL 66 5.918 -34.414 39.078 1.00 42.02 ATOM 1035 HN VAL 66 5.763 -33.942 39.930 1.00 38.98 ATOM 1036 CA VAL 66 7.070 -34.037 38.267 1.00 72.23 ATOM 1037 HA VAL 66 7.234 -34.803 37.514 1.00 31.12 ATOM 1038 CB VAL 66 6.837 -32.693 37.552 1.00 4.44 ATOM 1039 HB VAL 66 5.829 -32.683 37.162 1.00 55.20 ATOM 1040 CG1 VAL 66 6.980 -31.536 38.530 1.00 23.55 ATOM 1041 HG11 VAL 66 8.014 -31.244 38.612 1.00 34.50 ATOM 1042 HG12 VAL 66 6.605 -31.816 39.506 1.00 33.13 ATOM 1043 HG13 VAL 66 6.408 -30.696 38.164 1.00 61.32 ATOM 1044 CG2 VAL 66 7.800 -32.536 36.385 1.00 23.52 ATOM 1045 HG21 VAL 66 7.832 -33.440 35.800 1.00 60.23 ATOM 1046 HG22 VAL 66 8.792 -32.311 36.749 1.00 43.11 ATOM 1047 HG23 VAL 66 7.470 -31.721 35.776 1.00 3.12 ATOM 1048 C VAL 66 8.331 -33.937 39.117 1.00 65.34 ATOM 1049 O VAL 66 8.261 -33.818 40.340 1.00 54.30 ATOM 1050 N TYR 67 9.485 -33.987 38.460 1.00 3.35 ATOM 1051 HN TYR 67 9.493 -34.135 37.490 1.00 38.98 ATOM 1052 CA TYR 67 10.764 -33.904 39.156 1.00 42.31 ATOM 1053 HA TYR 67 10.602 -33.956 40.218 1.00 5.51 ATOM 1054 CB TYR 67 11.660 -35.080 38.762 1.00 11.53 ATOM 1055 HB1 TYR 67 12.624 -34.968 39.242 1.00 38.98 ATOM 1056 HB2 TYR 67 11.800 -35.075 37.692 1.00 52.43 ATOM 1057 CG TYR 67 11.105 -36.426 39.169 1.00 71.04 ATOM 1058 CD1 TYR 67 11.227 -37.530 38.334 1.00 31.35 ATOM 1059 HD1 TYR 67 11.724 -37.416 37.391 1.00 34.43 ATOM 1060 CD2 TYR 67 10.459 -36.594 40.388 1.00 44.14 ATOM 1061 HD2 TYR 67 10.354 -35.759 41.061 1.00 71.44 ATOM 1062 CE1 TYR 67 10.721 -38.762 38.702 1.00 74.15 ATOM 1063 HE1 TYR 67 10.826 -39.610 38.050 1.00 52.30 ATOM 1064 CE2 TYR 67 9.951 -37.822 40.764 1.00 63.45 ATOM 1065 HE2 TYR 67 9.465 -37.938 41.714 1.00 24.41 ATOM 1066 CZ TYR 67 10.084 -38.903 39.917 1.00 71.21 ATOM 1067 OH TYR 67 9.580 -40.129 40.287 1.00 55.12 ATOM 1068 HH TYR 67 10.301 -40.721 40.524 1.00 2.32 ATOM 1069 C TYR 67 11.469 -32.587 38.845 1.00 12.31 ATOM 1070 O TYR 67 12.357 -32.513 37.995 1.00 32.44 ATOM 1071 N PRO 68 11.065 -31.520 39.551 1.00 53.15 ATOM 1072 CA PRO 68 11.644 -30.186 39.370 1.00 50.54 ATOM 1073 HA PRO 68 11.615 -29.883 38.340 1.00 33.40 ATOM 1074 CB PRO 68 10.727 -29.285 40.201 1.00 23.15 ATOM 1075 HB1 PRO 68 9.955 -28.879 39.565 1.00 38.98 ATOM 1076 HB2 PRO 68 11.287 -28.473 40.651 1.00 14.14 ATOM 1077 CG PRO 68 10.146 -30.187 41.234 1.00 32.45 ATOM 1078 HG1 PRO 68 9.177 -29.820 41.539 1.00 38.98 ATOM 1079 HG2 PRO 68 10.810 -30.248 42.084 1.00 34.12 ATOM 1080 CD PRO 68 10.011 -31.534 40.579 1.00 24.35 ATOM 1081 HD1 PRO 68 9.049 -31.621 40.150 1.00 38.98 ATOM 1082 HD2 PRO 68 10.177 -32.312 41.307 1.00 65.14 ATOM 1083 C PRO 68 13.078 -30.102 39.880 1.00 64.20 ATOM 1084 O PRO 68 13.835 -29.215 39.487 1.00 25.33 ATOM 1085 N GLU 69 13.445 -31.032 40.757 1.00 72.04 ATOM 1086 HN GLU 69 12.798 -31.700 41.073 1.00 38.98 ATOM 1087 CA GLU 69 14.789 -31.062 41.320 1.00 23.03 ATOM 1088 HA GLU 69 15.444 -30.442 40.722 1.00 64.12 ATOM 1089 CB GLU 69 14.783 -30.497 42.742 1.00 31.13 ATOM 1090 HB1 GLU 69 14.619 -29.431 42.685 1.00 38.98 ATOM 1091 HB2 GLU 69 15.750 -30.673 43.200 1.00 62.23 ATOM 1092 CG GLU 69 13.702 -31.092 43.629 1.00 73.03 ATOM 1093 HG1 GLU 69 13.675 -32.163 43.505 1.00 38.98 ATOM 1094 HG2 GLU 69 12.750 -30.679 43.332 1.00 23.33 ATOM 1095 CD GLU 69 13.919 -30.787 45.098 1.00 13.01 ATOM 1096 OE1 GLU 69 13.160 -29.965 45.652 1.00 13.14 ATOM 1097 OE2 GLU 69 14.848 -31.371 45.694 1.00 62.23 ATOM 1098 C GLU 69 15.344 -32.484 41.328 1.00 3.55 ATOM 1099 O GLU 69 15.463 -33.124 42.373 1.00 65.41 ATOM 1100 N PRO 70 15.692 -32.990 40.136 1.00 55.52 ATOM 1101 CA PRO 70 16.239 -34.340 39.978 1.00 24.01 ATOM 1102 HA PRO 70 15.596 -35.077 40.430 1.00 60.11 ATOM 1103 CB PRO 70 16.260 -34.540 38.461 1.00 52.55 ATOM 1104 HB1 PRO 70 15.350 -35.033 38.153 1.00 38.98 ATOM 1105 HB2 PRO 70 17.106 -35.141 38.178 1.00 32.42 ATOM 1106 CG PRO 70 16.339 -33.162 37.898 1.00 25.24 ATOM 1107 HG1 PRO 70 15.883 -33.138 36.919 1.00 38.98 ATOM 1108 HG2 PRO 70 17.371 -32.847 37.841 1.00 44.24 ATOM 1109 CD PRO 70 15.577 -32.282 38.849 1.00 34.05 ATOM 1110 HD1 PRO 70 14.553 -32.196 38.545 1.00 38.98 ATOM 1111 HD2 PRO 70 16.040 -31.309 38.897 1.00 11.14 ATOM 1112 C PRO 70 17.647 -34.465 40.551 1.00 61.13 ATOM 1113 O PRO 70 18.446 -33.532 40.468 1.00 20.12 ATOM 1114 N ARG 71 17.944 -35.623 41.131 1.00 62.43 ATOM 1115 HN ARG 71 17.255 -36.322 41.197 1.00 38.98 ATOM 1116 CA ARG 71 19.256 -35.870 41.718 1.00 52.43 ATOM 1117 HA ARG 71 19.865 -34.977 41.626 1.00 12.51 ATOM 1118 CB ARG 71 19.117 -36.223 43.199 1.00 33.55 ATOM 1119 HB1 ARG 71 19.949 -36.852 43.497 1.00 38.98 ATOM 1120 HB2 ARG 71 18.201 -36.780 43.351 1.00 42.23 ATOM 1121 CG ARG 71 19.116 -35.012 44.118 1.00 62.15 ATOM 1122 HG1 ARG 71 19.875 -34.314 43.795 1.00 38.98 ATOM 1123 HG2 ARG 71 19.340 -35.342 45.122 1.00 21.21 ATOM 1124 CD ARG 71 17.763 -34.319 44.125 1.00 74.22 ATOM 1125 HD1 ARG 71 16.985 -35.064 44.238 1.00 38.98 ATOM 1126 HD2 ARG 71 17.628 -33.810 43.187 1.00 40.31 ATOM 1127 NE ARG 71 17.644 -33.361 45.220 1.00 3.34 ATOM 1128 HE ARG 71 17.087 -33.620 45.987 1.00 31.12 ATOM 1129 CZ ARG 71 18.245 -32.176 45.228 1.00 12.14 ATOM 1130 NH1 ARG 71 19.001 -31.806 44.204 1.00 4.55 ATOM 1131 HH11 ARG 71 19.135 -32.389 43.411 1.00 50.11 ATOM 1132 HH12 ARG 71 19.453 -30.912 44.225 1.00 35.35 ATOM 1133 NH2 ARG 71 18.089 -31.359 46.262 1.00 53.40 ATOM 1134 HH21 ARG 71 17.518 -31.633 47.039 1.00 71.35 ATOM 1135 HH22 ARG 71 18.541 -30.465 46.271 1.00 21.42 ATOM 1136 C ARG 71 19.979 -36.993 40.981 1.00 31.31 ATOM 1137 O ARG 71 21.208 -37.065 40.991 1.00 73.34 ATOM 1138 N SER 72 19.208 -37.869 40.344 1.00 14.40 ATOM 1139 HN SER 72 18.234 -37.790 40.370 1.00 38.98 ATOM 1140 CA SER 72 19.774 -38.991 39.606 1.00 61.40 ATOM 1141 HA SER 72 20.854 -38.971 39.690 1.00 22.43 ATOM 1142 CB SER 72 19.273 -40.315 40.186 1.00 75.42 ATOM 1143 HB1 SER 72 19.827 -41.132 39.751 1.00 38.98 ATOM 1144 HB2 SER 72 18.220 -40.437 39.966 1.00 61.42 ATOM 1145 OG SER 72 19.445 -40.354 41.592 1.00 71.22 ATOM 1146 HG SER 72 18.735 -39.866 42.018 1.00 71.43 ATOM 1147 C SER 72 19.417 -38.904 38.125 1.00 11.13 ATOM 1148 O SER 72 18.791 -37.941 37.683 1.00 4.13 ATOM 1149 N GLU 73 19.820 -39.917 37.365 1.00 73.22 ATOM 1150 HN GLU 73 20.331 -40.658 37.766 1.00 38.98 ATOM 1151 CA GLU 73 19.543 -39.954 35.934 1.00 70.44 ATOM 1152 HA GLU 73 19.652 -38.952 35.536 1.00 55.33 ATOM 1153 CB GLU 73 20.541 -40.870 35.222 1.00 20.53 ATOM 1154 HB1 GLU 73 20.523 -41.840 35.698 1.00 38.98 ATOM 1155 HB2 GLU 73 21.528 -40.443 35.333 1.00 63.03 ATOM 1156 CG GLU 73 20.249 -41.057 33.743 1.00 34.10 ATOM 1157 HG1 GLU 73 20.043 -40.099 33.301 1.00 38.98 ATOM 1158 HG2 GLU 73 19.383 -41.693 33.637 1.00 53.21 ATOM 1159 CD GLU 73 21.400 -41.703 32.998 1.00 43.14 ATOM 1160 OE1 GLU 73 22.559 -41.523 33.427 1.00 43.43 ATOM 1161 OE2 GLU 73 21.143 -42.388 31.986 1.00 43.13 ATOM 1162 C GLU 73 18.118 -40.432 35.667 1.00 3.12 ATOM 1163 O GLU 73 17.424 -39.897 34.803 1.00 43.51 ATOM 1164 N SER 74 17.690 -41.443 36.416 1.00 73.13 ATOM 1165 HN SER 74 18.295 -41.844 37.084 1.00 38.98 ATOM 1166 CA SER 74 16.350 -41.997 36.258 1.00 12.42 ATOM 1167 HA SER 74 16.293 -42.459 35.283 1.00 30.22 ATOM 1168 CB SER 74 16.085 -43.059 37.327 1.00 51.12 ATOM 1169 HB1 SER 74 16.032 -42.594 38.302 1.00 38.98 ATOM 1170 HB2 SER 74 16.890 -43.779 37.319 1.00 10.51 ATOM 1171 OG SER 74 14.868 -43.741 37.077 1.00 22.02 ATOM 1172 HG SER 74 14.636 -44.274 37.841 1.00 50.34 ATOM 1173 C SER 74 15.295 -40.898 36.345 1.00 53.05 ATOM 1174 O SER 74 14.396 -40.820 35.508 1.00 14.21 ATOM 1175 N GLU 75 15.413 -40.052 37.363 1.00 54.41 ATOM 1176 HN GLU 75 16.155 -40.167 38.005 1.00 38.98 ATOM 1177 CA GLU 75 14.469 -38.958 37.559 1.00 15.24 ATOM 1178 HA GLU 75 13.470 -39.374 37.577 1.00 72.44 ATOM 1179 CB GLU 75 14.745 -38.248 38.886 1.00 4.23 ATOM 1180 HB1 GLU 75 14.431 -37.215 38.798 1.00 38.98 ATOM 1181 HB2 GLU 75 15.810 -38.267 39.081 1.00 45.40 ATOM 1182 CG GLU 75 14.037 -38.878 40.073 1.00 33.23 ATOM 1183 HG1 GLU 75 14.744 -39.497 40.605 1.00 38.98 ATOM 1184 HG2 GLU 75 13.214 -39.491 39.730 1.00 0.02 ATOM 1185 CD GLU 75 13.484 -37.847 41.038 1.00 42.21 ATOM 1186 OE1 GLU 75 12.610 -38.207 41.854 1.00 23.23 ATOM 1187 OE2 GLU 75 13.925 -36.680 40.977 1.00 70.24 ATOM 1188 C GLU 75 14.547 -37.958 36.409 1.00 31.21 ATOM 1189 O GLU 75 13.523 -37.505 35.896 1.00 2.51 ATOM 1190 N CYS 76 15.768 -37.619 36.010 1.00 33.30 ATOM 1191 HN CYS 76 16.553 -38.004 36.468 1.00 38.98 ATOM 1192 CA CYS 76 15.981 -36.672 34.921 1.00 32.33 ATOM 1193 HA CYS 76 15.590 -35.712 35.233 1.00 44.04 ATOM 1194 CB CYS 76 17.474 -36.541 34.616 1.00 32.45 ATOM 1195 HB1 CYS 76 17.613 -36.210 33.593 1.00 38.98 ATOM 1196 HB2 CYS 76 17.952 -37.500 34.740 1.00 5.42 ATOM 1197 SG CYS 76 18.343 -35.361 35.675 1.00 55.41 ATOM 1198 HG CYS 76 18.402 -34.203 35.034 1.00 53.15 ATOM 1199 C CYS 76 15.230 -37.107 33.667 1.00 34.43 ATOM 1200 O CYS 76 14.533 -36.309 33.039 1.00 10.23 ATOM 1201 N LEU 77 15.377 -38.377 33.307 1.00 73.52 ATOM 1202 HN LEU 77 15.947 -38.972 33.851 1.00 38.98 ATOM 1203 CA LEU 77 14.713 -38.919 32.126 1.00 62.40 ATOM 1204 HA LEU 77 14.884 -38.242 31.298 1.00 43.43 ATOM 1205 CB LEU 77 15.300 -40.286 31.769 1.00 31.45 ATOM 1206 HB1 LEU 77 14.689 -40.737 30.993 1.00 38.98 ATOM 1207 HB2 LEU 77 15.226 -40.906 32.654 1.00 41.41 ATOM 1208 CG LEU 77 16.754 -40.290 31.298 1.00 64.32 ATOM 1209 HG LEU 77 17.343 -39.666 31.955 1.00 63.32 ATOM 1210 CD1 LEU 77 17.330 -41.697 31.353 1.00 54.02 ATOM 1211 HD11 LEU 77 18.365 -41.678 31.039 1.00 71.14 ATOM 1212 HD12 LEU 77 16.768 -42.348 30.697 1.00 43.52 ATOM 1213 HD13 LEU 77 17.273 -42.073 32.365 1.00 55.44 ATOM 1214 CD2 LEU 77 16.860 -39.724 29.889 1.00 12.34 ATOM 1215 HD21 LEU 77 16.678 -38.663 29.925 1.00 42.04 ATOM 1216 HD22 LEU 77 16.122 -40.192 29.249 1.00 40.45 ATOM 1217 HD23 LEU 77 17.840 -39.910 29.484 1.00 60.34 ATOM 1218 C LEU 77 13.210 -39.042 32.354 1.00 21.21 ATOM 1219 O LEU 77 12.425 -39.021 31.407 1.00 74.44 ATOM 1220 N SER 78 12.817 -39.168 33.618 1.00 72.14 ATOM 1221 HN SER 78 13.486 -39.213 34.330 1.00 38.98 ATOM 1222 CA SER 78 11.408 -39.296 33.970 1.00 13.44 ATOM 1223 HA SER 78 11.008 -40.156 33.449 1.00 11.52 ATOM 1224 CB SER 78 11.255 -39.514 35.477 1.00 2.50 ATOM 1225 HB1 SER 78 10.964 -38.595 35.946 1.00 38.98 ATOM 1226 HB2 SER 78 12.185 -39.852 35.903 1.00 20.33 ATOM 1227 OG SER 78 10.261 -40.485 35.754 1.00 41.22 ATOM 1228 HG SER 78 10.626 -41.366 35.633 1.00 24.44 ATOM 1229 C SER 78 10.626 -38.057 33.543 1.00 63.15 ATOM 1230 O SER 78 9.514 -38.159 33.027 1.00 31.23 ATOM 1231 N ASN 79 11.218 -36.887 33.761 1.00 61.24 ATOM 1232 HN ASN 79 12.104 -36.863 34.195 1.00 38.98 ATOM 1233 CA ASN 79 10.578 -35.628 33.399 1.00 42.35 ATOM 1234 HA ASN 79 9.706 -35.505 34.027 1.00 43.23 ATOM 1235 CB ASN 79 11.541 -34.460 33.622 1.00 41.24 ATOM 1236 HB1 ASN 79 11.196 -33.622 33.059 1.00 38.98 ATOM 1237 HB2 ASN 79 12.523 -34.743 33.286 1.00 3.24 ATOM 1238 CG ASN 79 11.612 -34.038 35.077 1.00 75.43 ATOM 1239 OD1 ASN 79 10.630 -34.142 35.813 1.00 62.22 ATOM 1240 ND2 ASN 79 12.776 -33.559 35.498 1.00 22.51 ATOM 1241 HD21 ASN 79 13.526 -33.498 34.864 1.00 74.53 ATOM 1242 HD22 ASN 79 12.843 -33.284 36.434 1.00 32.25 ATOM 1243 C ASN 79 10.117 -35.650 31.945 1.00 73.35 ATOM 1244 O ASN 79 9.017 -35.198 31.625 1.00 50.22 ATOM 1245 N ILE 80 10.964 -36.180 31.069 1.00 71.12 ATOM 1246 HN ILE 80 11.830 -36.533 31.382 1.00 38.98 ATOM 1247 CA ILE 80 10.642 -36.263 29.650 1.00 63.34 ATOM 1248 HA ILE 80 10.255 -35.300 29.331 1.00 21.54 ATOM 1249 CB ILE 80 11.891 -36.582 28.807 1.00 44.00 ATOM 1250 HB ILE 80 12.266 -37.550 29.113 1.00 43.43 ATOM 1251 CG1 ILE 80 12.974 -35.526 29.041 1.00 61.42 ATOM 1252 HG11 ILE 80 13.088 -35.337 30.099 1.00 38.98 ATOM 1253 HG12 ILE 80 12.702 -34.609 28.552 1.00 71.13 ATOM 1254 CG2 ILE 80 11.529 -36.659 27.331 1.00 23.33 ATOM 1255 HG21 ILE 80 12.413 -36.615 26.719 1.00 3.53 ATOM 1256 HG22 ILE 80 10.873 -35.842 27.062 1.00 73.20 ATOM 1257 HG23 ILE 80 11.033 -37.587 27.151 1.00 11.14 ATOM 1258 CD1 ILE 80 14.334 -35.929 28.515 1.00 50.33 ATOM 1259 HD11 ILE 80 15.025 -35.110 28.647 1.00 24.35 ATOM 1260 HD12 ILE 80 14.271 -36.178 27.470 1.00 63.43 ATOM 1261 HD13 ILE 80 14.690 -36.787 29.066 1.00 71.15 ATOM 1262 C ILE 80 9.581 -37.327 29.388 1.00 43.22 ATOM 1263 O ILE 80 8.628 -37.097 28.643 1.00 65.43 ATOM 1264 N ARG 81 9.752 -38.490 30.007 1.00 63.31 ATOM 1265 HN ARG 81 10.543 -38.621 30.583 1.00 38.98 ATOM 1266 CA ARG 81 8.809 -39.590 29.841 1.00 0.44 ATOM 1267 HA ARG 81 8.868 -39.922 28.818 1.00 22.20 ATOM 1268 CB ARG 81 9.175 -40.748 30.771 1.00 12.14 ATOM 1269 HB1 ARG 81 8.803 -40.542 31.767 1.00 38.98 ATOM 1270 HB2 ARG 81 10.255 -40.829 30.823 1.00 73.01 ATOM 1271 CG ARG 81 8.612 -42.088 30.326 1.00 14.41 ATOM 1272 HG1 ARG 81 7.579 -41.965 30.028 1.00 38.98 ATOM 1273 HG2 ARG 81 8.666 -42.779 31.154 1.00 43.02 ATOM 1274 CD ARG 81 9.400 -42.663 29.160 1.00 30.52 ATOM 1275 HD1 ARG 81 10.426 -42.808 29.471 1.00 38.98 ATOM 1276 HD2 ARG 81 9.370 -41.966 28.335 1.00 4.10 ATOM 1277 NE ARG 81 8.857 -43.942 28.711 1.00 73.43 ATOM 1278 HE ARG 81 8.050 -44.285 29.162 1.00 51.32 ATOM 1279 CZ ARG 81 9.390 -44.664 27.731 1.00 50.20 ATOM 1280 NH1 ARG 81 10.475 -44.234 27.102 1.00 22.20 ATOM 1281 HH11 ARG 81 10.910 -43.369 27.348 1.00 70.52 ATOM 1282 HH12 ARG 81 10.871 -44.784 26.364 1.00 15.14 ATOM 1283 NH2 ARG 81 8.838 -45.818 27.379 1.00 12.10 ATOM 1284 HH21 ARG 81 8.018 -46.149 27.851 1.00 32.10 ATOM 1285 HH22 ARG 81 9.238 -46.364 26.640 1.00 53.13 ATOM 1286 C ARG 81 7.382 -39.129 30.123 1.00 51.53 ATOM 1287 O ARG 81 6.471 -39.383 29.335 1.00 3.13 ATOM 1288 N GLU 82 7.196 -38.450 31.251 1.00 42.14 ATOM 1289 HN GLU 82 7.966 -38.288 31.847 1.00 38.98 ATOM 1290 CA GLU 82 5.880 -37.955 31.636 1.00 73.04 ATOM 1291 HA GLU 82 5.244 -38.813 31.809 1.00 0.22 ATOM 1292 CB GLU 82 5.978 -37.120 32.914 1.00 31.21 ATOM 1293 HB1 GLU 82 5.410 -36.214 32.787 1.00 38.98 ATOM 1294 HB2 GLU 82 7.008 -36.857 33.107 1.00 55.23 ATOM 1295 CG GLU 82 5.428 -37.823 34.144 1.00 64.31 ATOM 1296 HG1 GLU 82 4.378 -38.024 33.988 1.00 38.98 ATOM 1297 HG2 GLU 82 5.546 -37.173 34.998 1.00 75.03 ATOM 1298 CD GLU 82 6.136 -39.133 34.432 1.00 20.10 ATOM 1299 OE1 GLU 82 7.302 -39.284 34.011 1.00 53.43 ATOM 1300 OE2 GLU 82 5.523 -40.008 35.080 1.00 42.24 ATOM 1301 C GLU 82 5.263 -37.121 30.516 1.00 4.44 ATOM 1302 O GLU 82 4.142 -37.379 30.080 1.00 73.24 ATOM 1303 N PHE 83 6.005 -36.118 30.057 1.00 12.00 ATOM 1304 HN PHE 83 6.897 -35.959 30.450 1.00 38.98 ATOM 1305 CA PHE 83 5.532 -35.244 28.990 1.00 53.20 ATOM 1306 HA PHE 83 4.683 -34.690 29.365 1.00 60.10 ATOM 1307 CB PHE 83 6.629 -34.257 28.586 1.00 61.11 ATOM 1308 HB1 PHE 83 7.540 -34.807 28.389 1.00 38.98 ATOM 1309 HB2 PHE 83 6.802 -33.583 29.413 1.00 61.32 ATOM 1310 CG PHE 83 6.286 -33.443 27.372 1.00 54.34 ATOM 1311 CD1 PHE 83 6.738 -33.820 26.117 1.00 35.24 ATOM 1312 HD1 PHE 83 7.344 -34.710 26.012 1.00 3.52 ATOM 1313 CD2 PHE 83 5.510 -32.300 27.484 1.00 2.11 ATOM 1314 HD2 PHE 83 5.156 -31.996 28.454 1.00 62.11 ATOM 1315 CE1 PHE 83 6.423 -33.072 24.999 1.00 64.14 ATOM 1316 HE1 PHE 83 6.782 -33.377 24.027 1.00 63.25 ATOM 1317 CE2 PHE 83 5.193 -31.548 26.369 1.00 55.13 ATOM 1318 HE2 PHE 83 4.590 -30.659 26.474 1.00 52.32 ATOM 1319 CZ PHE 83 5.649 -31.935 25.124 1.00 30.32 ATOM 1320 HZ PHE 83 5.414 -31.357 24.250 1.00 54.04 ATOM 1321 C PHE 83 5.091 -36.057 27.776 1.00 11.32 ATOM 1322 O PHE 83 4.081 -35.749 27.142 1.00 34.12 ATOM 1323 N LEU 84 5.856 -37.095 27.458 1.00 73.11 ATOM 1324 HN LEU 84 6.656 -37.295 28.000 1.00 38.98 ATOM 1325 CA LEU 84 5.546 -37.953 26.320 1.00 73.33 ATOM 1326 HA LEU 84 5.308 -37.323 25.471 1.00 64.14 ATOM 1327 CB LEU 84 6.757 -38.816 25.962 1.00 71.24 ATOM 1328 HB1 LEU 84 6.511 -39.405 25.086 1.00 38.98 ATOM 1329 HB2 LEU 84 6.923 -39.500 26.789 1.00 61.55 ATOM 1330 CG LEU 84 8.061 -38.064 25.695 1.00 64.32 ATOM 1331 HG LEU 84 8.159 -37.246 26.387 1.00 43.15 ATOM 1332 CD1 LEU 84 9.257 -38.983 25.892 1.00 60.34 ATOM 1333 HD11 LEU 84 9.095 -39.918 25.371 1.00 54.24 ATOM 1334 HD12 LEU 84 9.389 -39.178 26.941 1.00 10.22 ATOM 1335 HD13 LEU 84 10.151 -38.513 25.503 1.00 1.50 ATOM 1336 CD2 LEU 84 8.062 -37.479 24.290 1.00 12.22 ATOM 1337 HD21 LEU 84 8.991 -36.968 24.125 1.00 61.22 ATOM 1338 HD22 LEU 84 7.241 -36.785 24.179 1.00 33.33 ATOM 1339 HD23 LEU 84 7.961 -38.273 23.583 1.00 72.10 ATOM 1340 C LEU 84 4.344 -38.843 26.620 1.00 31.32 ATOM 1341 O LEU 84 3.627 -39.263 25.711 1.00 1.24 ATOM 1342 N ARG 85 4.129 -39.126 27.901 1.00 53.51 ATOM 1343 HN ARG 85 4.748 -38.797 28.581 1.00 38.98 ATOM 1344 CA ARG 85 3.013 -39.965 28.321 1.00 10.42 ATOM 1345 HA ARG 85 2.952 -40.802 27.639 1.00 4.32 ATOM 1346 CB ARG 85 3.238 -40.473 29.747 1.00 51.44 ATOM 1347 HB1 ARG 85 2.792 -39.786 30.456 1.00 38.98 ATOM 1348 HB2 ARG 85 4.303 -40.516 29.943 1.00 2.31 ATOM 1349 CG ARG 85 2.654 -41.853 30.000 1.00 1.25 ATOM 1350 HG1 ARG 85 1.622 -41.866 29.675 1.00 38.98 ATOM 1351 HG2 ARG 85 2.697 -42.061 31.060 1.00 13.35 ATOM 1352 CD ARG 85 3.422 -42.929 29.249 1.00 32.32 ATOM 1353 HD1 ARG 85 3.796 -42.536 28.315 1.00 38.98 ATOM 1354 HD2 ARG 85 2.749 -43.743 29.025 1.00 1.44 ATOM 1355 NE ARG 85 4.557 -43.430 30.019 1.00 21.32 ATOM 1356 HE ARG 85 5.446 -43.082 29.789 1.00 40.31 ATOM 1357 CZ ARG 85 4.445 -44.319 31.000 1.00 12.45 ATOM 1358 NH1 ARG 85 3.255 -44.801 31.329 1.00 34.42 ATOM 1359 HH11 ARG 85 2.425 -44.512 30.860 1.00 2.11 ATOM 1360 HH12 ARG 85 3.183 -45.474 32.068 1.00 70.13 ATOM 1361 NH2 ARG 85 5.525 -44.726 31.655 1.00 72.01 ATOM 1362 HH21 ARG 85 6.427 -44.364 31.412 1.00 72.53 ATOM 1363 HH22 ARG 85 5.443 -45.396 32.396 1.00 24.32 ATOM 1364 C ARG 85 1.697 -39.197 28.245 1.00 15.13 ATOM 1365 O ARG 85 0.656 -39.760 27.908 1.00 62.13 ATOM 1366 N GLY 86 1.750 -37.907 28.563 1.00 44.35 ATOM 1367 HN GLY 86 2.597 -37.498 28.845 1.00 38.98 ATOM 1368 CA GLY 86 0.556 -37.083 28.525 1.00 62.04 ATOM 1369 HA1 GLY 86 0.723 -36.212 29.108 1.00 38.98 ATOM 1370 HA2 GLY 86 -0.272 -37.630 28.961 1.00 62.34 ATOM 1371 C GLY 86 0.178 -36.675 27.115 1.00 72.03 ATOM 1372 O GLY 86 -0.926 -36.967 26.652 1.00 43.31 ATOM 1373 N CYS 87 1.093 -35.998 26.431 1.00 42.32 ATOM 1374 HN CYS 87 1.961 -35.798 26.856 1.00 38.98 ATOM 1375 CA CYS 87 0.849 -35.546 25.065 1.00 32.45 ATOM 1376 HA CYS 87 0.032 -34.836 25.090 1.00 43.54 ATOM 1377 CB CYS 87 2.098 -34.869 24.499 1.00 74.32 ATOM 1378 HB1 CYS 87 2.091 -34.927 23.420 1.00 38.98 ATOM 1379 HB2 CYS 87 2.977 -35.378 24.868 1.00 42.25 ATOM 1380 SG CYS 87 2.258 -33.124 24.944 1.00 34.23 ATOM 1381 HG CYS 87 1.043 -32.596 24.973 1.00 32.35 ATOM 1382 C CYS 87 0.438 -36.713 24.173 1.00 43.24 ATOM 1383 O CYS 87 -0.347 -36.548 23.240 1.00 43.41 ATOM 1384 N GLY 88 0.977 -37.893 24.464 1.00 12.04 ATOM 1385 HN GLY 88 1.625 -37.981 25.197 1.00 38.98 ATOM 1386 CA GLY 88 0.656 -39.070 23.678 1.00 42.43 ATOM 1387 HA1 GLY 88 1.487 -39.757 23.737 1.00 38.98 ATOM 1388 HA2 GLY 88 0.512 -38.794 22.640 1.00 13.12 ATOM 1389 C GLY 88 -0.588 -39.778 24.175 1.00 52.01 ATOM 1390 O GLY 88 -1.116 -40.664 23.503 1.00 14.34 ATOM 1391 N ALA 89 -1.057 -39.389 25.356 1.00 40.51 ATOM 1392 HN ALA 89 -0.602 -38.693 25.853 1.00 38.98 ATOM 1393 CA ALA 89 -2.247 -39.992 25.942 1.00 30.33 ATOM 1394 HA ALA 89 -2.259 -41.048 25.695 1.00 55.53 ATOM 1395 CB ALA 89 -2.206 -39.874 27.459 1.00 54.24 ATOM 1396 HB1 ALA 89 -1.866 -38.892 27.744 1.00 52.04 ATOM 1397 HB2 ALA 89 -1.533 -40.617 27.854 1.00 14.13 ATOM 1398 HB3 ALA 89 -3.193 -40.045 27.872 1.00 73.23 ATOM 1399 C ALA 89 -3.516 -39.349 25.393 1.00 31.33 ATOM 1400 O ALA 89 -4.294 -39.992 24.689 1.00 72.14 ATOM 1401 N SER 90 -3.719 -38.077 25.721 1.00 32.45 ATOM 1402 HN SER 90 -3.047 -37.602 26.266 1.00 38.98 ATOM 1403 CA SER 90 -4.897 -37.349 25.265 1.00 42.33 ATOM 1404 HA SER 90 -5.752 -38.013 25.310 1.00 1.51 ATOM 1405 CB SER 90 -5.165 -36.149 26.175 1.00 41.41 ATOM 1406 HB1 SER 90 -4.251 -35.590 26.310 1.00 38.98 ATOM 1407 HB2 SER 90 -5.517 -36.499 27.134 1.00 53.51 ATOM 1408 OG SER 90 -6.146 -35.293 25.615 1.00 42.22 ATOM 1409 HG SER 90 -6.299 -34.552 26.205 1.00 54.00 ATOM 1410 C SER 90 -4.720 -36.879 23.824 1.00 71.21 ATOM 1411 O SER 90 -5.445 -37.308 22.925 1.00 15.13 ATOM 1412 N LEU 91 -3.751 -35.996 23.611 1.00 13.30 ATOM 1413 HN LEU 91 -3.195 -35.697 24.370 1.00 38.98 ATOM 1414 CA LEU 91 -3.477 -35.466 22.279 1.00 34.44 ATOM 1415 HA LEU 91 -4.375 -34.977 21.922 1.00 34.41 ATOM 1416 CB LEU 91 -2.336 -34.449 22.338 1.00 33.41 ATOM 1417 HB1 LEU 91 -1.738 -34.547 21.443 1.00 38.98 ATOM 1418 HB2 LEU 91 -1.709 -34.701 23.181 1.00 4.31 ATOM 1419 CG LEU 91 -2.750 -32.984 22.479 1.00 23.00 ATOM 1420 HG LEU 91 -3.604 -32.913 23.139 1.00 41.43 ATOM 1421 CD1 LEU 91 -1.623 -32.168 23.093 1.00 23.11 ATOM 1422 HD11 LEU 91 -0.803 -32.086 22.403 1.00 32.10 ATOM 1423 HD12 LEU 91 -1.280 -32.641 24.004 1.00 13.24 ATOM 1424 HD13 LEU 91 -1.990 -31.179 23.326 1.00 24.42 ATOM 1425 CD2 LEU 91 -3.151 -32.411 21.128 1.00 44.33 ATOM 1426 HD21 LEU 91 -3.336 -31.348 21.214 1.00 12.33 ATOM 1427 HD22 LEU 91 -4.051 -32.902 20.787 1.00 23.00 ATOM 1428 HD23 LEU 91 -2.360 -32.585 20.417 1.00 73.04 ATOM 1429 C LEU 91 -3.124 -36.589 21.309 1.00 21.13 ATOM 1430 O LEU 91 -3.461 -36.530 20.127 1.00 73.22 ATOM 1431 N ARG 92 -2.444 -37.612 21.818 1.00 14.30 ATOM 1432 HN ARG 92 -2.179 -37.611 22.764 1.00 38.98 ATOM 1433 CA ARG 92 -2.046 -38.749 20.997 1.00 53.42 ATOM 1434 HA ARG 92 -1.438 -39.392 21.602 1.00 72.54 ATOM 1435 CB ARG 92 -3.280 -39.513 20.513 1.00 12.42 ATOM 1436 HB1 ARG 92 -3.655 -39.067 19.600 1.00 38.98 ATOM 1437 HB2 ARG 92 -4.049 -39.435 21.274 1.00 4.11 ATOM 1438 CG ARG 92 -3.020 -40.987 20.252 1.00 61.04 ATOM 1439 HG1 ARG 92 -2.431 -41.397 21.063 1.00 38.98 ATOM 1440 HG2 ARG 92 -2.477 -41.088 19.325 1.00 74.22 ATOM 1441 CD ARG 92 -4.318 -41.772 20.148 1.00 30.24 ATOM 1442 HD1 ARG 92 -4.860 -41.412 19.284 1.00 38.98 ATOM 1443 HD2 ARG 92 -4.907 -41.604 21.041 1.00 1.14 ATOM 1444 NE ARG 92 -4.081 -43.206 20.005 1.00 24.12 ATOM 1445 HE ARG 92 -3.175 -43.545 20.197 1.00 13.34 ATOM 1446 CZ ARG 92 -5.017 -44.073 19.637 1.00 13.00 ATOM 1447 NH1 ARG 92 -6.248 -43.653 19.376 1.00 64.53 ATOM 1448 HH11 ARG 92 -6.499 -42.691 19.451 1.00 32.33 ATOM 1449 HH12 ARG 92 -6.947 -44.315 19.096 1.00 22.24 ATOM 1450 NH2 ARG 92 -4.724 -45.363 19.529 1.00 41.40 ATOM 1451 HH21 ARG 92 -3.796 -45.687 19.725 1.00 75.51 ATOM 1452 HH22 ARG 92 -5.429 -46.019 19.252 1.00 34.10 ATOM 1453 C ARG 92 -1.217 -38.291 19.801 1.00 62.15 ATOM 1454 O ARG 92 -1.293 -38.875 18.719 1.00 72.14 ATOM 1455 N LEU 93 -0.425 -37.243 20.002 1.00 34.41 ATOM 1456 HN LEU 93 -0.391 -36.833 20.892 1.00 38.98 ATOM 1457 CA LEU 93 0.419 -36.707 18.940 1.00 14.41 ATOM 1458 HA LEU 93 -0.124 -36.767 18.004 1.00 33.33 ATOM 1459 CB LEU 93 0.748 -35.239 19.217 1.00 42.34 ATOM 1460 HB1 LEU 93 -0.195 -34.708 19.212 1.00 38.98 ATOM 1461 HB2 LEU 93 1.340 -34.853 18.397 1.00 31.41 ATOM 1462 CG LEU 93 1.456 -34.947 20.540 1.00 32.44 ATOM 1463 HG LEU 93 1.205 -35.699 21.271 1.00 35.31 ATOM 1464 CD1 LEU 93 2.965 -34.982 20.358 1.00 62.22 ATOM 1465 HD11 LEU 93 3.291 -36.002 20.412 1.00 54.11 ATOM 1466 HD12 LEU 93 3.449 -34.421 21.149 1.00 34.33 ATOM 1467 HD13 LEU 93 3.247 -34.561 19.401 1.00 11.24 ATOM 1468 CD2 LEU 93 1.015 -33.601 21.096 1.00 72.10 ATOM 1469 HD21 LEU 93 1.440 -33.452 22.075 1.00 72.45 ATOM 1470 HD22 LEU 93 -0.052 -33.569 21.162 1.00 43.24 ATOM 1471 HD23 LEU 93 1.350 -32.810 20.439 1.00 64.42 ATOM 1472 C LEU 93 1.707 -37.513 18.808 1.00 13.33 ATOM 1473 O LEU 93 1.926 -38.474 19.545 1.00 44.32 ATOM 1474 N GLU 94 2.555 -37.113 17.866 1.00 4.25 ATOM 1475 HN GLU 94 2.330 -36.327 17.318 1.00 38.98 ATOM 1476 CA GLU 94 3.823 -37.798 17.640 1.00 75.00 ATOM 1477 HA GLU 94 3.629 -38.865 17.611 1.00 24.34 ATOM 1478 CB GLU 94 4.423 -37.376 16.297 1.00 20.23 ATOM 1479 HB1 GLU 94 5.234 -38.046 16.052 1.00 38.98 ATOM 1480 HB2 GLU 94 4.811 -36.368 16.378 1.00 75.10 ATOM 1481 CG GLU 94 3.426 -37.398 15.151 1.00 61.11 ATOM 1482 HG1 GLU 94 3.972 -37.359 14.220 1.00 38.98 ATOM 1483 HG2 GLU 94 2.787 -36.532 15.225 1.00 75.32 ATOM 1484 CD GLU 94 2.563 -38.645 15.152 1.00 11.21 ATOM 1485 OE1 GLU 94 1.357 -38.530 15.454 1.00 35.11 ATOM 1486 OE2 GLU 94 3.093 -39.735 14.852 1.00 42.45 ATOM 1487 C GLU 94 4.809 -37.503 18.766 1.00 23.20 ATOM 1488 O GLU 94 5.149 -36.348 19.024 1.00 54.30 ATOM 1489 N THR 95 5.267 -38.557 19.435 1.00 31.01 ATOM 1490 HN THR 95 4.972 -39.463 19.184 1.00 38.98 ATOM 1491 CA THR 95 6.213 -38.413 20.534 1.00 11.43 ATOM 1492 HA THR 95 6.280 -37.368 20.819 1.00 43.22 ATOM 1493 CB THR 95 5.761 -39.210 21.772 1.00 24.14 ATOM 1494 HB THR 95 6.523 -39.164 22.530 1.00 24.25 ATOM 1495 OG1 THR 95 5.548 -40.582 21.421 1.00 54.54 ATOM 1496 HG1 THR 95 5.642 -41.135 22.201 1.00 10.53 ATOM 1497 CG2 THR 95 4.484 -38.626 22.356 1.00 12.10 ATOM 1498 HG21 THR 95 4.655 -37.600 22.650 1.00 15.44 ATOM 1499 HG22 THR 95 4.190 -39.202 23.221 1.00 74.23 ATOM 1500 HG23 THR 95 3.697 -38.663 21.616 1.00 72.53 ATOM 1501 C THR 95 7.606 -38.877 20.125 1.00 1.33 ATOM 1502 O THR 95 7.811 -39.348 19.006 1.00 11.34 ATOM 1503 N PHE 96 8.562 -38.742 21.039 1.00 54.40 ATOM 1504 HN PHE 96 8.358 -38.325 21.881 1.00 38.98 ATOM 1505 CA PHE 96 9.937 -39.147 20.773 1.00 72.23 ATOM 1506 HA PHE 96 9.950 -39.841 19.941 1.00 20.44 ATOM 1507 CB PHE 96 10.788 -37.930 20.406 1.00 1.20 ATOM 1508 HB1 PHE 96 10.373 -37.477 19.514 1.00 38.98 ATOM 1509 HB2 PHE 96 11.799 -38.249 20.188 1.00 40.33 ATOM 1510 CG PHE 96 10.831 -36.882 21.482 1.00 71.34 ATOM 1511 CD1 PHE 96 9.769 -36.010 21.661 1.00 70.55 ATOM 1512 HD1 PHE 96 8.902 -36.097 21.025 1.00 44.02 ATOM 1513 CD2 PHE 96 11.933 -36.770 22.314 1.00 13.11 ATOM 1514 HD2 PHE 96 12.767 -37.435 22.179 1.00 11.04 ATOM 1515 CE1 PHE 96 9.806 -35.045 22.649 1.00 63.20 ATOM 1516 HE1 PHE 96 8.972 -34.372 22.780 1.00 60.03 ATOM 1517 CE2 PHE 96 11.976 -35.807 23.305 1.00 55.23 ATOM 1518 HE2 PHE 96 12.828 -35.735 23.950 1.00 44.31 ATOM 1519 CZ PHE 96 10.910 -34.944 23.473 1.00 63.11 ATOM 1520 HZ PHE 96 10.941 -34.190 24.246 1.00 51.44 ATOM 1521 C PHE 96 10.538 -39.857 21.982 1.00 4.12 ATOM 1522 O PHE 96 9.887 -40.004 23.016 1.00 32.43 ATOM 1523 N ASP 97 11.785 -40.295 21.844 1.00 51.31 ATOM 1524 HN ASP 97 12.260 -40.154 20.992 1.00 38.98 ATOM 1525 CA ASP 97 12.476 -40.989 22.924 1.00 12.35 ATOM 1526 HA ASP 97 11.736 -41.523 23.515 1.00 15.22 ATOM 1527 CB ASP 97 13.473 -41.999 22.355 1.00 43.31 ATOM 1528 HB1 ASP 97 14.276 -42.169 23.063 1.00 38.98 ATOM 1529 HB2 ASP 97 13.888 -41.611 21.440 1.00 1.22 ATOM 1530 CG ASP 97 12.831 -43.338 22.050 1.00 50.42 ATOM 1531 OD1 ASP 97 12.246 -43.479 20.956 1.00 65.14 ATOM 1532 OD2 ASP 97 12.912 -44.244 22.906 1.00 41.24 ATOM 1533 C ASP 97 13.198 -39.998 23.832 1.00 22.12 ATOM 1534 O ASP 97 13.873 -39.084 23.358 1.00 74.50 ATOM 1535 N ALA 98 13.051 -40.186 25.140 1.00 42.53 ATOM 1536 HN ALA 98 12.502 -40.941 25.461 1.00 38.98 ATOM 1537 CA ALA 98 13.690 -39.309 26.114 1.00 62.34 ATOM 1538 HA ALA 98 13.398 -38.293 25.897 1.00 5.43 ATOM 1539 CB ALA 98 13.214 -39.646 27.519 1.00 54.22 ATOM 1540 HB1 ALA 98 13.679 -38.980 28.232 1.00 3.44 ATOM 1541 HB2 ALA 98 13.477 -40.667 27.756 1.00 72.13 ATOM 1542 HB3 ALA 98 12.141 -39.532 27.570 1.00 3.22 ATOM 1543 C ALA 98 15.209 -39.411 26.030 1.00 44.33 ATOM 1544 O ALA 98 15.924 -38.476 26.390 1.00 71.32 ATOM 1545 N ASN 99 15.696 -40.552 25.553 1.00 42.34 ATOM 1546 HN ASN 99 15.081 -41.272 25.288 1.00 38.98 ATOM 1547 CA ASN 99 17.132 -40.775 25.423 1.00 74.32 ATOM 1548 HA ASN 99 17.601 -40.537 26.369 1.00 24.21 ATOM 1549 CB ASN 99 17.412 -42.243 25.094 1.00 5.11 ATOM 1550 HB1 ASN 99 18.478 -42.416 25.124 1.00 38.98 ATOM 1551 HB2 ASN 99 17.043 -42.467 24.102 1.00 22.43 ATOM 1552 CG ASN 99 16.746 -43.192 26.071 1.00 31.11 ATOM 1553 OD1 ASN 99 15.890 -43.991 25.691 1.00 15.15 ATOM 1554 ND2 ASN 99 17.137 -43.108 27.337 1.00 31.24 ATOM 1555 HD21 ASN 99 17.826 -42.450 27.583 1.00 11.04 ATOM 1556 HD22 ASN 99 16.718 -43.713 27.984 1.00 11.41 ATOM 1557 C ASN 99 17.726 -39.878 24.342 1.00 4.41 ATOM 1558 O ASN 99 18.730 -39.200 24.566 1.00 32.23 ATOM 1559 N ASP 100 17.101 -39.877 23.170 1.00 34.54 ATOM 1560 HN ASP 100 16.304 -40.447 23.048 1.00 38.98 ATOM 1561 CA ASP 100 17.566 -39.062 22.055 1.00 44.02 ATOM 1562 HA ASP 100 18.555 -39.405 21.780 1.00 22.14 ATOM 1563 CB ASP 100 16.627 -39.214 20.857 1.00 4.01 ATOM 1564 HB1 ASP 100 16.803 -38.412 20.150 1.00 38.98 ATOM 1565 HB2 ASP 100 15.603 -39.164 21.198 1.00 4.33 ATOM 1566 CG ASP 100 16.825 -40.529 20.130 1.00 70.41 ATOM 1567 OD1 ASP 100 17.785 -40.631 19.337 1.00 32.21 ATOM 1568 OD2 ASP 100 16.020 -41.457 20.354 1.00 23.50 ATOM 1569 C ASP 100 17.663 -37.594 22.458 1.00 1.10 ATOM 1570 O ASP 100 18.447 -36.833 21.889 1.00 54.14 ATOM 1571 N LEU 101 16.862 -37.202 23.442 1.00 35.12 ATOM 1572 HN LEU 101 16.220 -37.831 23.839 1.00 38.98 ATOM 1573 CA LEU 101 16.856 -35.824 23.922 1.00 74.34 ATOM 1574 HA LEU 101 17.117 -35.171 23.100 1.00 64.13 ATOM 1575 CB LEU 101 15.461 -35.444 24.423 1.00 43.12 ATOM 1576 HB1 LEU 101 15.089 -36.266 25.021 1.00 38.98 ATOM 1577 HB2 LEU 101 14.822 -35.335 23.572 1.00 33.24 ATOM 1578 CG LEU 101 15.375 -34.171 25.266 1.00 63.20 ATOM 1579 HG LEU 101 15.981 -34.281 26.154 1.00 22.31 ATOM 1580 CD1 LEU 101 15.898 -32.976 24.484 1.00 65.40 ATOM 1581 HD11 LEU 101 16.305 -33.268 23.532 1.00 22.21 ATOM 1582 HD12 LEU 101 16.678 -32.500 25.057 1.00 55.24 ATOM 1583 HD13 LEU 101 15.116 -32.267 24.323 1.00 13.11 ATOM 1584 CD2 LEU 101 13.943 -33.928 25.720 1.00 23.10 ATOM 1585 HD21 LEU 101 13.946 -33.269 26.566 1.00 52.24 ATOM 1586 HD22 LEU 101 13.482 -34.860 26.008 1.00 64.40 ATOM 1587 HD23 LEU 101 13.365 -33.484 24.925 1.00 55.33 ATOM 1588 C LEU 101 17.879 -35.631 25.036 1.00 42.02 ATOM 1589 O LEU 101 18.704 -34.718 24.983 1.00 30.24 ATOM 1590 N TYR 102 17.822 -36.497 26.042 1.00 54.35 ATOM 1591 HN TYR 102 17.138 -37.207 26.027 1.00 38.98 ATOM 1592 CA TYR 102 18.743 -36.421 27.169 1.00 65.23 ATOM 1593 HA TYR 102 18.555 -35.485 27.667 1.00 0.03 ATOM 1594 CB TYR 102 18.500 -37.584 28.132 1.00 1.13 ATOM 1595 HB1 TYR 102 18.908 -38.498 27.714 1.00 38.98 ATOM 1596 HB2 TYR 102 17.435 -37.698 28.249 1.00 43.32 ATOM 1597 CG TYR 102 19.091 -37.365 29.507 1.00 65.34 ATOM 1598 CD1 TYR 102 18.922 -36.158 30.173 1.00 44.31 ATOM 1599 HD1 TYR 102 18.351 -35.372 29.706 1.00 4.11 ATOM 1600 CD2 TYR 102 19.820 -38.366 30.138 1.00 11.54 ATOM 1601 HD2 TYR 102 19.964 -39.313 29.636 1.00 33.34 ATOM 1602 CE1 TYR 102 19.461 -35.953 31.428 1.00 24.03 ATOM 1603 HE1 TYR 102 19.312 -35.011 31.931 1.00 62.53 ATOM 1604 CE2 TYR 102 20.361 -38.170 31.394 1.00 22.22 ATOM 1605 HE2 TYR 102 20.929 -38.956 31.862 1.00 31.32 ATOM 1606 CZ TYR 102 20.179 -36.962 32.035 1.00 64.40 ATOM 1607 OH TYR 102 20.718 -36.763 33.285 1.00 23.44 ATOM 1608 HH TYR 102 21.672 -36.655 33.216 1.00 60.33 ATOM 1609 C TYR 102 20.192 -36.437 26.690 1.00 71.51 ATOM 1610 O TYR 102 20.987 -35.573 27.056 1.00 1.31 ATOM 1611 N GLN 103 20.526 -37.428 25.868 1.00 14.35 ATOM 1612 HN GLN 103 19.840 -38.086 25.600 1.00 38.98 ATOM 1613 CA GLN 103 21.878 -37.557 25.339 1.00 70.31 ATOM 1614 HA GLN 103 22.581 -37.328 26.131 1.00 61.24 ATOM 1615 CB GLN 103 22.128 -38.991 24.867 1.00 4.32 ATOM 1616 HB1 GLN 103 23.123 -39.064 24.448 1.00 38.98 ATOM 1617 HB2 GLN 103 21.411 -39.223 24.090 1.00 20.44 ATOM 1618 CG GLN 103 21.967 -40.030 25.965 1.00 13.41 ATOM 1619 HG1 GLN 103 21.680 -40.965 25.506 1.00 38.98 ATOM 1620 HG2 GLN 103 21.190 -39.724 26.653 1.00 33.00 ATOM 1621 CD GLN 103 23.247 -40.259 26.745 1.00 55.32 ATOM 1622 OE1 GLN 103 24.342 -39.972 26.260 1.00 32.54 ATOM 1623 NE2 GLN 103 23.115 -40.778 27.960 1.00 51.50 ATOM 1624 HE21 GLN 103 22.214 -40.988 28.296 1.00 12.21 ATOM 1625 HE22 GLN 103 23.931 -40.933 28.480 1.00 44.15 ATOM 1626 C GLN 103 22.108 -36.583 24.188 1.00 33.21 ATOM 1627 O GLN 103 23.247 -36.288 23.829 1.00 31.41 ATOM 1628 N GLY 104 21.017 -36.087 23.613 1.00 53.53 ATOM 1629 HN GLY 104 20.131 -36.376 23.895 1.00 38.98 ATOM 1630 CA GLY 104 21.121 -35.151 22.508 1.00 20.20 ATOM 1631 HA1 GLY 104 21.819 -34.364 22.764 1.00 38.98 ATOM 1632 HA2 GLY 104 20.150 -34.709 22.338 1.00 71.11 ATOM 1633 C GLY 104 21.580 -35.817 21.226 1.00 72.21 ATOM 1634 O GLY 104 22.425 -35.281 20.509 1.00 34.33 ATOM 1635 N GLN 105 21.023 -36.989 20.938 1.00 70.14 ATOM 1636 HN GLN 105 20.332 -37.361 21.537 1.00 38.98 ATOM 1637 CA GLN 105 21.383 -37.730 19.734 1.00 15.41 ATOM 1638 HA GLN 105 22.433 -37.561 19.523 1.00 55.43 ATOM 1639 CB GLN 105 21.165 -39.229 19.948 1.00 2.51 ATOM 1640 HB1 GLN 105 21.354 -39.756 19.019 1.00 38.98 ATOM 1641 HB2 GLN 105 20.135 -39.390 20.233 1.00 43.44 ATOM 1642 CG GLN 105 22.046 -39.822 21.036 1.00 13.31 ATOM 1643 HG1 GLN 105 21.533 -40.674 21.458 1.00 38.98 ATOM 1644 HG2 GLN 105 22.211 -39.090 21.817 1.00 64.51 ATOM 1645 CD GLN 105 23.388 -40.291 20.510 1.00 53.13 ATOM 1646 OE1 GLN 105 23.537 -41.440 20.093 1.00 53.24 ATOM 1647 NE2 GLN 105 24.374 -39.402 20.526 1.00 51.20 ATOM 1648 HE21 GLN 105 24.198 -38.497 20.870 1.00 64.23 ATOM 1649 HE22 GLN 105 25.249 -39.686 20.190 1.00 31.34 ATOM 1650 C GLN 105 20.568 -37.251 18.537 1.00 74.41 ATOM 1651 O GLN 105 21.118 -36.735 17.566 1.00 42.04 ATOM 1652 N ASN 106 19.252 -37.428 18.614 1.00 5.21 ATOM 1653 HN ASN 106 18.857 -37.830 19.422 1.00 38.98 ATOM 1654 CA ASN 106 18.361 -37.015 17.536 1.00 44.01 ATOM 1655 HA ASN 106 18.951 -36.693 16.684 1.00 63.14 ATOM 1656 CB ASN 106 17.474 -38.184 17.104 1.00 70.02 ATOM 1657 HB1 ASN 106 16.669 -37.815 16.487 1.00 38.98 ATOM 1658 HB2 ASN 106 17.062 -38.659 17.980 1.00 64.14 ATOM 1659 CG ASN 106 18.235 -39.221 16.301 1.00 73.43 ATOM 1660 OD1 ASN 106 19.231 -38.909 15.649 1.00 64.42 ATOM 1661 ND2 ASN 106 17.766 -40.463 16.344 1.00 24.22 ATOM 1662 HD21 ASN 106 16.964 -40.654 16.882 1.00 25.44 ATOM 1663 HD22 ASN 106 18.244 -41.148 15.832 1.00 44.13 ATOM 1664 C ASN 106 17.494 -35.836 17.968 1.00 63.31 ATOM 1665 O ASN 106 16.303 -35.994 18.238 1.00 45.11 ATOM 1666 N PHE 107 18.100 -34.655 18.031 1.00 72.05 ATOM 1667 HN PHE 107 19.059 -34.592 17.801 1.00 38.98 ATOM 1668 CA PHE 107 17.384 -33.449 18.430 1.00 73.10 ATOM 1669 HA PHE 107 17.003 -33.601 19.431 1.00 63.21 ATOM 1670 CB PHE 107 18.331 -32.247 18.439 1.00 31.51 ATOM 1671 HB1 PHE 107 18.723 -32.097 17.440 1.00 38.98 ATOM 1672 HB2 PHE 107 19.152 -32.459 19.109 1.00 64.10 ATOM 1673 CG PHE 107 17.681 -30.975 18.903 1.00 31.55 ATOM 1674 CD1 PHE 107 17.123 -30.889 20.169 1.00 42.11 ATOM 1675 HD1 PHE 107 17.157 -31.746 20.828 1.00 72.11 ATOM 1676 CD2 PHE 107 17.628 -29.866 18.075 1.00 62.31 ATOM 1677 HD2 PHE 107 18.059 -29.918 17.084 1.00 43.35 ATOM 1678 CE1 PHE 107 16.524 -29.720 20.598 1.00 11.13 ATOM 1679 HE1 PHE 107 16.092 -29.665 21.586 1.00 3.00 ATOM 1680 CE2 PHE 107 17.031 -28.694 18.499 1.00 34.30 ATOM 1681 HE2 PHE 107 16.994 -27.840 17.842 1.00 21.01 ATOM 1682 CZ PHE 107 16.479 -28.621 19.763 1.00 54.11 ATOM 1683 HZ PHE 107 16.007 -27.714 20.088 1.00 53.40 ATOM 1684 C PHE 107 16.210 -33.179 17.494 1.00 54.53 ATOM 1685 O PHE 107 15.227 -32.547 17.880 1.00 70.12 ATOM 1686 N ASN 108 16.321 -33.661 16.260 1.00 33.13 ATOM 1687 HN ASN 108 17.168 -34.060 15.982 1.00 38.98 ATOM 1688 CA ASN 108 15.269 -33.471 15.268 1.00 44.35 ATOM 1689 HA ASN 108 15.220 -32.418 15.032 1.00 32.01 ATOM 1690 CB ASN 108 15.596 -34.250 13.992 1.00 24.22 ATOM 1691 HB1 ASN 108 16.363 -33.718 13.447 1.00 38.98 ATOM 1692 HB2 ASN 108 14.713 -34.323 13.368 1.00 51.31 ATOM 1693 CG ASN 108 16.095 -35.652 14.283 1.00 20.55 ATOM 1694 OD1 ASN 108 15.305 -36.578 14.469 1.00 71.24 ATOM 1695 ND2 ASN 108 17.412 -35.815 14.326 1.00 43.05 ATOM 1696 HD21 ASN 108 17.997 -35.039 14.171 1.00 71.25 ATOM 1697 HD22 ASN 108 17.754 -36.714 14.513 1.00 31.43 ATOM 1698 C ASN 108 13.917 -33.915 15.816 1.00 53.13 ATOM 1699 O ASN 108 12.934 -33.176 15.749 1.00 2.03 ATOM 1700 N LYS 109 13.874 -35.127 16.358 1.00 35.12 ATOM 1701 HN LYS 109 14.706 -35.634 16.451 1.00 38.98 ATOM 1702 CA LYS 109 12.643 -35.671 16.920 1.00 10.13 ATOM 1703 HA LYS 109 11.884 -35.658 16.149 1.00 62.21 ATOM 1704 CB LYS 109 12.860 -37.117 17.372 1.00 12.11 ATOM 1705 HB1 LYS 109 11.893 -37.560 17.569 1.00 38.98 ATOM 1706 HB2 LYS 109 13.442 -37.120 18.286 1.00 64.40 ATOM 1707 CG LYS 109 13.591 -37.970 16.351 1.00 65.15 ATOM 1708 HG1 LYS 109 14.633 -37.722 16.380 1.00 38.98 ATOM 1709 HG2 LYS 109 13.197 -37.774 15.364 1.00 2.21 ATOM 1710 CD LYS 109 13.439 -39.452 16.650 1.00 5.12 ATOM 1711 HD1 LYS 109 13.958 -40.016 15.889 1.00 38.98 ATOM 1712 HD2 LYS 109 12.390 -39.711 16.638 1.00 70.32 ATOM 1713 CE LYS 109 14.021 -39.808 18.010 1.00 63.24 ATOM 1714 HE1 LYS 109 13.502 -39.256 18.779 1.00 38.98 ATOM 1715 HE2 LYS 109 15.067 -39.546 18.024 1.00 11.42 ATOM 1716 NZ LYS 109 13.888 -41.262 18.306 1.00 5.51 ATOM 1717 HZ1 LYS 109 12.885 -41.541 18.309 1.00 11.41 ATOM 1718 HZ2 LYS 109 14.294 -41.472 19.240 1.00 45.31 ATOM 1719 HZ3 LYS 109 14.393 -41.825 17.590 1.00 61.24 ATOM 1720 C LYS 109 12.162 -34.826 18.096 1.00 22.41 ATOM 1721 O LYS 109 10.960 -34.656 18.300 1.00 3.43 ATOM 1722 N VAL 110 13.109 -34.299 18.866 1.00 13.12 ATOM 1723 HN VAL 110 14.050 -34.448 18.635 1.00 38.98 ATOM 1724 CA VAL 110 12.781 -33.470 20.020 1.00 5.11 ATOM 1725 HA VAL 110 12.098 -34.028 20.651 1.00 31.31 ATOM 1726 CB VAL 110 14.038 -33.134 20.845 1.00 64.34 ATOM 1727 HB VAL 110 14.663 -32.462 20.273 1.00 31.11 ATOM 1728 CG1 VAL 110 13.656 -32.434 22.140 1.00 45.14 ATOM 1729 HG11 VAL 110 14.503 -31.869 22.476 1.00 0.02 ATOM 1730 HG12 VAL 110 13.384 -33.161 22.888 1.00 5.23 ATOM 1731 HG13 VAL 110 12.827 -31.762 21.987 1.00 44.02 ATOM 1732 CG2 VAL 110 14.842 -34.395 21.127 1.00 13.24 ATOM 1733 HG21 VAL 110 15.640 -34.176 21.815 1.00 33.22 ATOM 1734 HG22 VAL 110 15.270 -34.766 20.210 1.00 1.52 ATOM 1735 HG23 VAL 110 14.199 -35.152 21.553 1.00 62.45 ATOM 1736 C VAL 110 12.107 -32.172 19.591 1.00 43.34 ATOM 1737 O VAL 110 11.129 -31.736 20.199 1.00 31.33 ATOM 1738 N LEU 111 12.636 -31.557 18.538 1.00 31.31 ATOM 1739 HN LEU 111 13.424 -31.949 18.092 1.00 38.98 ATOM 1740 CA LEU 111 12.085 -30.308 18.025 1.00 11.43 ATOM 1741 HA LEU 111 11.973 -29.626 18.858 1.00 75.31 ATOM 1742 CB LEU 111 13.032 -29.696 16.992 1.00 41.15 ATOM 1743 HB1 LEU 111 12.787 -30.104 16.017 1.00 38.98 ATOM 1744 HB2 LEU 111 14.043 -30.008 17.231 1.00 62.13 ATOM 1745 CG LEU 111 13.021 -28.170 16.891 1.00 73.24 ATOM 1746 HG LEU 111 11.998 -27.826 16.823 1.00 42.13 ATOM 1747 CD1 LEU 111 13.641 -27.549 18.132 1.00 3.50 ATOM 1748 HD11 LEU 111 14.699 -27.388 17.985 1.00 14.32 ATOM 1749 HD12 LEU 111 13.501 -28.187 18.993 1.00 60.33 ATOM 1750 HD13 LEU 111 13.166 -26.605 18.325 1.00 21.14 ATOM 1751 CD2 LEU 111 13.755 -27.713 15.639 1.00 64.02 ATOM 1752 HD21 LEU 111 13.279 -28.137 14.765 1.00 44.42 ATOM 1753 HD22 LEU 111 14.785 -28.040 15.679 1.00 72.41 ATOM 1754 HD23 LEU 111 13.725 -26.638 15.572 1.00 72.12 ATOM 1755 C LEU 111 10.711 -30.533 17.402 1.00 21.32 ATOM 1756 O LEU 111 9.754 -29.823 17.711 1.00 43.24 ATOM 1757 N SER 112 10.621 -31.528 16.526 1.00 72.34 ATOM 1758 HN SER 112 11.426 -32.060 16.315 1.00 38.98 ATOM 1759 CA SER 112 9.364 -31.847 15.858 1.00 62.02 ATOM 1760 HA SER 112 9.117 -31.024 15.203 1.00 31.43 ATOM 1761 CB SER 112 9.515 -33.119 15.021 1.00 43.21 ATOM 1762 HB1 SER 112 9.842 -33.930 15.656 1.00 38.98 ATOM 1763 HB2 SER 112 10.249 -32.951 14.247 1.00 62.31 ATOM 1764 OG SER 112 8.287 -33.477 14.412 1.00 61.32 ATOM 1765 HG SER 112 7.773 -34.022 15.014 1.00 54.22 ATOM 1766 C SER 112 8.239 -32.023 16.873 1.00 60.31 ATOM 1767 O SER 112 7.093 -31.655 16.616 1.00 71.42 ATOM 1768 N SER 113 8.576 -32.589 18.028 1.00 74.13 ATOM 1769 HN SER 113 9.505 -32.884 18.176 1.00 38.98 ATOM 1770 CA SER 113 7.594 -32.818 19.081 1.00 30.53 ATOM 1771 HA SER 113 6.788 -33.411 18.669 1.00 43.01 ATOM 1772 CB SER 113 8.229 -33.591 20.240 1.00 53.54 ATOM 1773 HB1 SER 113 8.766 -32.916 20.896 1.00 38.98 ATOM 1774 HB2 SER 113 8.919 -34.311 19.833 1.00 4.15 ATOM 1775 OG SER 113 7.246 -34.282 20.991 1.00 50.21 ATOM 1776 HG SER 113 6.822 -33.675 21.603 1.00 12.32 ATOM 1777 C SER 113 7.022 -31.498 19.588 1.00 4.22 ATOM 1778 O SER 113 5.806 -31.324 19.668 1.00 74.20 ATOM 1779 N LEU 114 7.909 -30.569 19.930 1.00 71.32 ATOM 1780 HN LEU 114 8.869 -30.762 19.817 1.00 38.98 ATOM 1781 CA LEU 114 7.495 -29.263 20.429 1.00 15.14 ATOM 1782 HA LEU 114 6.827 -29.416 21.266 1.00 14.52 ATOM 1783 CB LEU 114 8.711 -28.469 20.908 1.00 41.51 ATOM 1784 HB1 LEU 114 8.359 -27.571 21.389 1.00 38.98 ATOM 1785 HB2 LEU 114 9.292 -28.182 20.038 1.00 13.33 ATOM 1786 CG LEU 114 9.649 -29.194 21.873 1.00 65.34 ATOM 1787 HG LEU 114 10.099 -30.027 21.371 1.00 13.23 ATOM 1788 CD1 LEU 114 10.768 -28.269 22.326 1.00 23.51 ATOM 1789 HD11 LEU 114 10.356 -27.409 22.835 1.00 60.23 ATOM 1790 HD12 LEU 114 11.334 -27.948 21.468 1.00 32.35 ATOM 1791 HD13 LEU 114 11.421 -28.800 22.986 1.00 30.20 ATOM 1792 CD2 LEU 114 8.876 -29.726 23.070 1.00 11.25 ATOM 1793 HD21 LEU 114 8.148 -30.453 22.743 1.00 52.21 ATOM 1794 HD22 LEU 114 8.371 -28.912 23.570 1.00 61.34 ATOM 1795 HD23 LEU 114 9.560 -30.199 23.762 1.00 60.03 ATOM 1796 C LEU 114 6.752 -28.478 19.352 1.00 22.43 ATOM 1797 O LEU 114 5.866 -27.678 19.652 1.00 41.11 ATOM 1798 N VAL 115 7.119 -28.715 18.097 1.00 75.04 ATOM 1799 HN VAL 115 7.837 -29.363 17.911 1.00 38.98 ATOM 1800 CA VAL 115 6.485 -28.033 16.974 1.00 23.31 ATOM 1801 HA VAL 115 6.432 -26.973 17.204 1.00 54.43 ATOM 1802 CB VAL 115 7.303 -28.204 15.680 1.00 31.30 ATOM 1803 HB VAL 115 7.334 -29.256 15.428 1.00 24.01 ATOM 1804 CG1 VAL 115 6.644 -27.459 14.529 1.00 33.34 ATOM 1805 HG11 VAL 115 7.295 -27.478 13.664 1.00 55.15 ATOM 1806 HG12 VAL 115 6.461 -26.432 14.812 1.00 4.14 ATOM 1807 HG13 VAL 115 5.709 -27.933 14.271 1.00 5.31 ATOM 1808 CG2 VAL 115 8.732 -27.726 15.886 1.00 22.33 ATOM 1809 HG21 VAL 115 9.397 -28.342 15.299 1.00 71.51 ATOM 1810 HG22 VAL 115 9.020 -27.784 16.922 1.00 52.24 ATOM 1811 HG23 VAL 115 8.832 -26.698 15.560 1.00 62.54 ATOM 1812 C VAL 115 5.071 -28.554 16.742 1.00 65.24 ATOM 1813 O VAL 115 4.205 -27.832 16.247 1.00 33.24 ATOM 1814 N THR 116 4.844 -29.814 17.102 1.00 52.43 ATOM 1815 HN THR 116 5.571 -30.355 17.488 1.00 38.98 ATOM 1816 CA THR 116 3.535 -30.432 16.932 1.00 63.40 ATOM 1817 HA THR 116 3.097 -30.067 16.009 1.00 51.25 ATOM 1818 CB THR 116 3.648 -31.965 16.830 1.00 33.33 ATOM 1819 HB THR 116 4.112 -32.341 17.732 1.00 41.33 ATOM 1820 OG1 THR 116 4.459 -32.323 15.706 1.00 24.43 ATOM 1821 HG1 THR 116 5.387 -32.241 15.939 1.00 51.51 ATOM 1822 CG2 THR 116 2.272 -32.601 16.692 1.00 5.31 ATOM 1823 HG21 THR 116 1.763 -32.585 17.644 1.00 54.35 ATOM 1824 HG22 THR 116 2.387 -33.625 16.370 1.00 12.22 ATOM 1825 HG23 THR 116 1.685 -32.063 15.959 1.00 61.24 ATOM 1826 C THR 116 2.606 -30.078 18.087 1.00 54.01 ATOM 1827 O THR 116 1.438 -29.746 17.878 1.00 40.40 ATOM 1828 N LEU 117 3.130 -30.150 19.305 1.00 35.04 ATOM 1829 HN LEU 117 4.069 -30.436 19.413 1.00 38.98 ATOM 1830 CA LEU 117 2.346 -29.836 20.495 1.00 11.41 ATOM 1831 HA LEU 117 1.568 -30.572 20.584 1.00 65.04 ATOM 1832 CB LEU 117 3.227 -29.908 21.744 1.00 75.13 ATOM 1833 HB1 LEU 117 4.144 -29.373 21.534 1.00 38.98 ATOM 1834 HB2 LEU 117 3.473 -30.947 21.917 1.00 72.24 ATOM 1835 CG LEU 117 2.622 -29.333 23.025 1.00 23.34 ATOM 1836 HG LEU 117 2.398 -28.287 22.887 1.00 1.24 ATOM 1837 CD1 LEU 117 1.321 -30.042 23.367 1.00 71.33 ATOM 1838 HD11 LEU 117 1.400 -31.093 23.143 1.00 5.41 ATOM 1839 HD12 LEU 117 0.520 -29.622 22.786 1.00 64.03 ATOM 1840 HD13 LEU 117 1.091 -29.918 24.418 1.00 52.44 ATOM 1841 CD2 LEU 117 3.610 -29.445 24.177 1.00 4.44 ATOM 1842 HD21 LEU 117 3.533 -30.423 24.613 1.00 31.31 ATOM 1843 HD22 LEU 117 3.360 -28.709 24.914 1.00 35.23 ATOM 1844 HD23 LEU 117 4.621 -29.279 23.830 1.00 43.03 ATOM 1845 C LEU 117 1.717 -28.451 20.382 1.00 13.33 ATOM 1846 O LEU 117 0.649 -28.196 20.939 1.00 64.04 ATOM 1847 N ASN 118 2.385 -27.560 19.657 1.00 71.15 ATOM 1848 HN ASN 118 3.255 -27.797 19.263 1.00 38.98 ATOM 1849 CA ASN 118 1.890 -26.201 19.469 1.00 22.01 ATOM 1850 HA ASN 118 1.482 -25.850 20.410 1.00 72.21 ATOM 1851 CB ASN 118 3.034 -25.272 19.058 1.00 40.22 ATOM 1852 HB1 ASN 118 3.537 -25.694 18.200 1.00 38.98 ATOM 1853 HB2 ASN 118 3.736 -25.185 19.869 1.00 34.12 ATOM 1854 CG ASN 118 2.547 -23.884 18.687 1.00 71.54 ATOM 1855 OD1 ASN 118 2.460 -23.540 17.508 1.00 2.40 ATOM 1856 ND2 ASN 118 2.226 -23.081 19.694 1.00 3.02 ATOM 1857 HD21 ASN 118 2.290 -23.419 20.589 1.00 73.22 ATOM 1858 HD22 ASN 118 1.935 -22.170 19.481 1.00 51.43 ATOM 1859 C ASN 118 0.787 -26.164 18.416 1.00 34.33 ATOM 1860 O ASN 118 -0.264 -25.557 18.623 1.00 51.42 ATOM 1861 N LYS 119 1.032 -26.819 17.287 1.00 62.24 ATOM 1862 HN LYS 119 1.895 -27.285 17.176 1.00 38.98 ATOM 1863 CA LYS 119 0.060 -26.864 16.201 1.00 70.31 ATOM 1864 HA LYS 119 -0.196 -25.846 15.933 1.00 0.13 ATOM 1865 CB LYS 119 0.659 -27.568 14.981 1.00 21.02 ATOM 1866 HB1 LYS 119 -0.137 -27.844 14.299 1.00 38.98 ATOM 1867 HB2 LYS 119 1.154 -28.470 15.317 1.00 23.41 ATOM 1868 CG LYS 119 1.650 -26.712 14.211 1.00 73.21 ATOM 1869 HG1 LYS 119 2.159 -26.044 14.895 1.00 38.98 ATOM 1870 HG2 LYS 119 1.114 -26.128 13.476 1.00 25.32 ATOM 1871 CD LYS 119 2.693 -27.564 13.507 1.00 50.31 ATOM 1872 HD1 LYS 119 3.166 -28.217 14.221 1.00 38.98 ATOM 1873 HD2 LYS 119 3.435 -26.912 13.070 1.00 75.13 ATOM 1874 CE LYS 119 2.071 -28.414 12.410 1.00 53.42 ATOM 1875 HE1 LYS 119 1.225 -27.892 11.978 1.00 38.98 ATOM 1876 HE2 LYS 119 1.733 -29.343 12.843 1.00 20.42 ATOM 1877 NZ LYS 119 3.044 -28.717 11.324 1.00 31.53 ATOM 1878 HZ1 LYS 119 3.860 -29.240 11.705 1.00 3.42 ATOM 1879 HZ2 LYS 119 3.384 -27.836 10.886 1.00 71.41 ATOM 1880 HZ3 LYS 119 2.588 -29.298 10.592 1.00 32.42 ATOM 1881 C LYS 119 -1.213 -27.581 16.640 1.00 51.31 ATOM 1882 O LYS 119 -2.316 -27.053 16.495 1.00 61.13 ATOM 1883 N VAL 120 -1.053 -28.785 17.179 1.00 71.32 ATOM 1884 HN VAL 120 -0.145 -29.153 17.257 1.00 38.98 ATOM 1885 CA VAL 120 -2.190 -29.573 17.642 1.00 45.15 ATOM 1886 HA VAL 120 -2.785 -29.844 16.779 1.00 70.52 ATOM 1887 CB VAL 120 -1.729 -30.864 18.343 1.00 21.32 ATOM 1888 HB VAL 120 -2.601 -31.394 18.687 1.00 1.02 ATOM 1889 CG1 VAL 120 -0.992 -31.769 17.367 1.00 11.12 ATOM 1890 HG11 VAL 120 -0.139 -31.259 16.957 1.00 63.11 ATOM 1891 HG12 VAL 120 -1.659 -32.047 16.563 1.00 52.20 ATOM 1892 HG13 VAL 120 -0.664 -32.664 17.878 1.00 64.34 ATOM 1893 CG2 VAL 120 -0.853 -30.535 19.543 1.00 73.12 ATOM 1894 HG21 VAL 120 -1.475 -30.171 20.347 1.00 64.32 ATOM 1895 HG22 VAL 120 -0.147 -29.788 19.289 1.00 12.14 ATOM 1896 HG23 VAL 120 -0.334 -31.423 19.879 1.00 14.42 ATOM 1897 C VAL 120 -3.061 -28.770 18.600 1.00 2.55 ATOM 1898 O VAL 120 -4.281 -28.936 18.637 1.00 25.14 ATOM 1899 N THR 121 -2.427 -27.896 19.377 1.00 51.34 ATOM 1900 HN THR 121 -1.447 -27.813 19.328 1.00 38.98 ATOM 1901 CA THR 121 -3.144 -27.066 20.337 1.00 63.11 ATOM 1902 HA THR 121 -3.991 -27.627 20.722 1.00 34.11 ATOM 1903 CB THR 121 -2.244 -26.677 21.525 1.00 22.31 ATOM 1904 HB THR 121 -2.733 -25.903 22.106 1.00 73.10 ATOM 1905 OG1 THR 121 -0.990 -26.178 21.047 1.00 23.21 ATOM 1906 HG1 THR 121 -1.087 -25.259 20.786 1.00 42.30 ATOM 1907 CG2 THR 121 -2.006 -27.871 22.437 1.00 22.31 ATOM 1908 HG21 THR 121 -2.515 -27.706 23.375 1.00 14.04 ATOM 1909 HG22 THR 121 -0.956 -27.988 22.622 1.00 33.15 ATOM 1910 HG23 THR 121 -2.385 -28.780 21.986 1.00 23.33 ATOM 1911 C THR 121 -3.674 -25.797 19.679 1.00 31.23 ATOM 1912 O THR 121 -4.652 -25.210 20.141 1.00 72.13 ATOM 1913 N ALA 122 -3.023 -25.380 18.599 1.00 42.43 ATOM 1914 HN ALA 122 -2.224 -25.855 18.301 1.00 38.98 ATOM 1915 CA ALA 122 -3.431 -24.181 17.876 1.00 33.51 ATOM 1916 HA ALA 122 -3.437 -23.351 18.571 1.00 31.50 ATOM 1917 CB ALA 122 -2.430 -23.862 16.775 1.00 35.14 ATOM 1918 HB1 ALA 122 -1.440 -23.795 17.201 1.00 35.12 ATOM 1919 HB2 ALA 122 -2.686 -22.918 16.316 1.00 13.45 ATOM 1920 HB3 ALA 122 -2.446 -24.641 16.026 1.00 72.24 ATOM 1921 C ALA 122 -4.830 -24.343 17.291 1.00 31.31 ATOM 1922 O ALA 122 -5.581 -23.374 17.175 1.00 22.44 ATOM 1923 N ASP 123 -5.174 -25.573 16.923 1.00 2.42 ATOM 1924 HN ASP 123 -4.532 -26.313 17.027 1.00 38.98 ATOM 1925 CA ASP 123 -6.483 -25.861 16.350 1.00 33.21 ATOM 1926 HA ASP 123 -6.685 -25.114 15.590 1.00 32.11 ATOM 1927 CB ASP 123 -6.487 -27.248 15.706 1.00 73.41 ATOM 1928 HB1 ASP 123 -6.701 -28.005 16.451 1.00 38.98 ATOM 1929 HB2 ASP 123 -5.511 -27.443 15.282 1.00 12.13 ATOM 1930 CG ASP 123 -7.507 -27.366 14.590 1.00 43.41 ATOM 1931 OD1 ASP 123 -8.306 -28.325 14.615 1.00 3.21 ATOM 1932 OD2 ASP 123 -7.505 -26.499 13.691 1.00 40.33 ATOM 1933 C ASP 123 -7.573 -25.778 17.415 1.00 63.13 ATOM 1934 O ASP 123 -8.723 -25.456 17.116 1.00 40.14 ATOM 1935 N ILE 124 -7.203 -26.072 18.657 1.00 43.44 ATOM 1936 HN ILE 124 -6.266 -26.302 18.841 1.00 38.98 ATOM 1937 CA ILE 124 -8.148 -26.030 19.765 1.00 55.20 ATOM 1938 HA ILE 124 -9.005 -26.641 19.501 1.00 73.00 ATOM 1939 CB ILE 124 -7.529 -26.599 21.055 1.00 33.21 ATOM 1940 HB ILE 124 -6.715 -25.955 21.360 1.00 72.40 ATOM 1941 CG1 ILE 124 -6.979 -28.005 20.805 1.00 4.33 ATOM 1942 HG11 ILE 124 -6.243 -27.976 20.017 1.00 38.98 ATOM 1943 HG12 ILE 124 -7.786 -28.659 20.509 1.00 1.21 ATOM 1944 CG2 ILE 124 -8.561 -26.620 22.173 1.00 4.54 ATOM 1945 HG21 ILE 124 -8.129 -27.038 23.070 1.00 0.44 ATOM 1946 HG22 ILE 124 -9.409 -27.220 21.876 1.00 72.21 ATOM 1947 HG23 ILE 124 -8.893 -25.617 22.391 1.00 21.13 ATOM 1948 CD1 ILE 124 -6.313 -28.617 22.018 1.00 71.22 ATOM 1949 HD11 ILE 124 -7.062 -28.878 22.750 1.00 73.22 ATOM 1950 HD12 ILE 124 -5.617 -27.911 22.450 1.00 62.32 ATOM 1951 HD13 ILE 124 -5.779 -29.508 21.720 1.00 4.20 ATOM 1952 C ILE 124 -8.624 -24.605 20.028 1.00 31.24 ATOM 1953 O ILE 124 -9.746 -24.388 20.484 1.00 72.32 ATOM 1954 N GLY 125 -7.762 -23.636 19.737 1.00 51.42 ATOM 1955 HN GLY 125 -6.867 -23.849 19.394 1.00 38.98 ATOM 1956 CA GLY 125 -8.113 -22.243 19.947 1.00 22.20 ATOM 1957 HA1 GLY 125 -9.127 -22.066 19.610 1.00 38.98 ATOM 1958 HA2 GLY 125 -7.444 -21.629 19.362 1.00 62.34 ATOM 1959 C GLY 125 -8.000 -21.830 21.401 1.00 30.11 ATOM 1960 O GLY 125 -8.947 -21.294 21.977 1.00 15.23 ATOM 1961 N LEU 126 -6.840 -22.081 21.997 1.00 3.13 ATOM 1962 HN LEU 126 -6.110 -22.500 21.480 1.00 38.98 ATOM 1963 HA LEU 126 -7.545 -21.799 23.933 1.00 42.25 ATOM 1964 CB LEU 126 -5.614 -22.711 24.026 1.00 42.34 ATOM 1965 HB1 LEU 126 -5.475 -22.432 25.064 1.00 38.98 ATOM 1966 HB2 LEU 126 -4.665 -22.598 23.515 1.00 22.35 ATOM 1967 CG LEU 126 -6.004 -24.188 23.977 1.00 34.24 ATOM 1968 HG LEU 126 -6.139 -24.484 22.947 1.00 12.24 ATOM 1969 CD1 LEU 126 -4.902 -25.051 24.572 1.00 74.31 ATOM 1970 HD11 LEU 126 -4.748 -24.784 25.609 1.00 31.42 ATOM 1971 HD12 LEU 126 -3.984 -24.897 24.022 1.00 45.32 ATOM 1972 HD13 LEU 126 -5.183 -26.093 24.508 1.00 3.02 ATOM 1973 CD2 LEU 126 -7.318 -24.417 24.711 1.00 2.22 ATOM 1974 HD21 LEU 126 -7.562 -25.471 24.699 1.00 11.51 ATOM 1975 HD22 LEU 126 -8.109 -23.868 24.223 1.00 32.12 ATOM 1976 HD23 LEU 126 -7.227 -24.084 25.736 1.00 63.53 ATOM 1977 CA LEU 126 -6.607 -21.733 23.395 1.00 44.23 ATOM 1978 C LEU 126 -6.082 -20.306 23.520 1.00 10.02 ATOM 1979 OT1 LEU 126 -6.709 -19.507 24.248 1.00 38.98 ATOM 1980 OT2 LEU 126 -5.054 -19.992 22.880 1.00 38.98 ATOM 1981 OH2 TIP3 1 -9.254 -47.485 14.157 0.00 0.00 WAT1 ATOM 1982 H1 TIP3 1 -9.292 -48.131 14.862 0.00 0.00 WAT1 ATOM 1983 H2 TIP3 1 -9.577 -47.951 13.386 0.00 0.00 WAT1 ATOM 1984 OH2 TIP3 2 -5.548 -44.546 12.459 0.00 0.00 WAT1 ATOM 1985 H1 TIP3 2 -5.989 -45.266 12.909 0.00 0.00 WAT1 ATOM 1986 H2 TIP3 2 -5.561 -43.825 13.089 0.00 0.00 WAT1 ATOM 1987 OH2 TIP3 3 -10.865 -45.052 14.563 0.00 0.00 WAT1 ATOM 1988 H1 TIP3 3 -10.561 -45.738 13.969 0.00 0.00 WAT1 ATOM 1989 H2 TIP3 3 -10.143 -44.934 15.181 0.00 0.00 WAT1 ATOM 1990 OH2 TIP3 4 -7.724 -50.658 14.891 0.00 0.00 WAT1 ATOM 1991 H1 TIP3 4 -7.581 -51.605 14.911 0.00 0.00 WAT1 ATOM 1992 H2 TIP3 4 -7.830 -50.451 13.962 0.00 0.00 WAT1 ATOM 1993 OH2 TIP3 5 -1.810 -51.973 17.660 0.00 0.00 WAT1 ATOM 1994 H1 TIP3 5 -2.499 -51.315 17.565 0.00 0.00 WAT1 ATOM 1995 H2 TIP3 5 -1.795 -52.170 18.597 0.00 0.00 WAT1 ATOM 1996 OH2 TIP3 6 -13.190 -45.963 16.525 0.00 0.00 WAT1 ATOM 1997 H1 TIP3 6 -13.930 -45.365 16.628 0.00 0.00 WAT1 ATOM 1998 H2 TIP3 6 -12.476 -45.409 16.209 0.00 0.00 WAT1 ATOM 1999 OH2 TIP3 7 -5.036 -42.706 14.807 0.00 0.00 WAT1 ATOM 2000 H1 TIP3 7 -5.978 -42.648 14.968 0.00 0.00 WAT1 ATOM 2001 H2 TIP3 7 -4.760 -41.800 14.670 0.00 0.00 WAT1 ATOM 2002 OH2 TIP3 8 -2.097 -48.118 16.484 0.00 0.00 WAT1 ATOM 2003 H1 TIP3 8 -2.749 -47.423 16.573 0.00 0.00 WAT1 ATOM 2004 H2 TIP3 8 -1.632 -47.908 15.674 0.00 0.00 WAT1 ATOM 2005 OH2 TIP3 9 -6.163 -49.112 18.210 0.00 0.00 WAT1 ATOM 2006 H1 TIP3 9 -6.083 -48.349 18.782 0.00 0.00 WAT1 ATOM 2007 H2 TIP3 9 -6.764 -48.833 17.519 0.00 0.00 WAT1 ATOM 2008 OH2 TIP3 10 -7.739 -42.384 15.392 0.00 0.00 WAT1 ATOM 2009 H1 TIP3 10 -7.980 -41.722 16.040 0.00 0.00 WAT1 ATOM 2010 H2 TIP3 10 -7.937 -43.218 15.817 0.00 0.00 WAT1 ATOM 2011 OH2 TIP3 11 -13.168 -43.488 19.375 0.00 0.00 WAT1 ATOM 2012 H1 TIP3 11 -13.480 -42.706 19.831 0.00 0.00 WAT1 ATOM 2013 H2 TIP3 11 -13.818 -43.641 18.689 0.00 0.00 WAT1 ATOM 2014 OH2 TIP3 12 -10.405 -42.203 18.871 0.00 0.00 WAT1 ATOM 2015 H1 TIP3 12 -10.318 -41.377 19.346 0.00 0.00 WAT1 ATOM 2016 H2 TIP3 12 -11.269 -42.533 19.120 0.00 0.00 WAT1 ATOM 2017 OH2 TIP3 13 -4.232 -50.284 20.475 0.00 0.00 WAT1 ATOM 2018 H1 TIP3 13 -4.639 -49.803 19.755 0.00 0.00 WAT1 ATOM 2019 H2 TIP3 13 -4.191 -51.189 20.168 0.00 0.00 WAT1 ATOM 2020 OH2 TIP3 14 -6.475 -51.952 18.696 0.00 0.00 WAT1 ATOM 2021 H1 TIP3 14 -6.989 -52.078 19.493 0.00 0.00 WAT1 ATOM 2022 H2 TIP3 14 -6.630 -51.040 18.451 0.00 0.00 WAT1 ATOM 2023 OH2 TIP3 15 -9.738 -49.652 20.780 0.00 0.00 WAT1 ATOM 2024 H1 TIP3 15 -10.301 -50.356 21.100 0.00 0.00 WAT1 ATOM 2025 H2 TIP3 15 -8.912 -49.772 21.247 0.00 0.00 WAT1 ATOM 2026 OH2 TIP3 16 -8.572 -48.743 16.777 0.00 0.00 WAT1 ATOM 2027 H1 TIP3 16 -8.248 -49.374 16.134 0.00 0.00 WAT1 ATOM 2028 H2 TIP3 16 -9.012 -49.278 17.438 0.00 0.00 WAT1 ATOM 2029 OH2 TIP3 17 -12.154 -48.154 20.844 0.00 0.00 WAT1 ATOM 2030 H1 TIP3 17 -12.450 -48.320 19.949 0.00 0.00 WAT1 ATOM 2031 H2 TIP3 17 -11.223 -48.374 20.834 0.00 0.00 WAT1 ATOM 2032 OH2 TIP3 18 -6.347 -46.942 14.588 0.00 0.00 WAT1 ATOM 2033 H1 TIP3 18 -7.275 -47.174 14.561 0.00 0.00 WAT1 ATOM 2034 H2 TIP3 18 -5.896 -47.719 14.258 0.00 0.00 WAT1 ATOM 2035 OH2 TIP3 19 -11.862 -40.802 16.612 0.00 0.00 WAT1 ATOM 2036 H1 TIP3 19 -11.499 -39.947 16.379 0.00 0.00 WAT1 ATOM 2037 H2 TIP3 19 -11.330 -41.094 17.353 0.00 0.00 WAT1 ATOM 2038 OH2 TIP3 20 -10.282 -50.811 18.196 0.00 0.00 WAT1 ATOM 2039 H1 TIP3 20 -10.163 -50.237 18.953 0.00 0.00 WAT1 ATOM 2040 H2 TIP3 20 -9.627 -51.499 18.311 0.00 0.00 WAT1 ATOM 2041 OH2 TIP3 21 -4.078 -52.904 19.031 0.00 0.00 WAT1 ATOM 2042 H1 TIP3 21 -4.994 -52.641 18.943 0.00 0.00 WAT1 ATOM 2043 H2 TIP3 21 -3.742 -52.907 18.134 0.00 0.00 WAT1 ATOM 2044 OH2 TIP3 22 -5.476 -49.153 13.127 0.00 0.00 WAT1 ATOM 2045 H1 TIP3 22 -6.273 -49.568 12.798 0.00 0.00 WAT1 ATOM 2046 H2 TIP3 22 -5.031 -49.844 13.618 0.00 0.00 WAT1 ATOM 2047 OH2 TIP3 23 -4.389 -39.897 14.749 0.00 0.00 WAT1 ATOM 2048 H1 TIP3 23 -4.545 -39.219 14.092 0.00 0.00 WAT1 ATOM 2049 H2 TIP3 23 -3.457 -39.825 14.952 0.00 0.00 WAT1 ATOM 2050 OH2 TIP3 24 -12.113 -45.446 21.364 0.00 0.00 WAT1 ATOM 2051 H1 TIP3 24 -12.441 -45.175 20.506 0.00 0.00 WAT1 ATOM 2052 H2 TIP3 24 -11.961 -46.387 21.276 0.00 0.00 WAT1 ATOM 2053 OH2 TIP3 25 -8.969 -46.736 22.003 0.00 0.00 WAT1 ATOM 2054 H1 TIP3 25 -8.016 -46.652 21.975 0.00 0.00 WAT1 ATOM 2055 H2 TIP3 25 -9.129 -47.447 22.622 0.00 0.00 WAT1 ATOM 2056 OH2 TIP3 26 -11.655 -48.043 17.540 0.00 0.00 WAT1 ATOM 2057 H1 TIP3 26 -10.904 -48.199 16.967 0.00 0.00 WAT1 ATOM 2058 H2 TIP3 26 -11.994 -47.191 17.264 0.00 0.00 WAT1 ATOM 2059 OH2 TIP3 27 -7.239 -50.228 22.568 0.00 0.00 WAT1 ATOM 2060 H1 TIP3 27 -7.047 -51.159 22.457 0.00 0.00 WAT1 ATOM 2061 H2 TIP3 27 -6.382 -49.803 22.558 0.00 0.00 WAT1 ATOM 2062 OH2 TIP3 28 -2.205 -44.795 14.824 0.00 0.00 WAT1 ATOM 2063 H1 TIP3 28 -1.371 -45.173 14.543 0.00 0.00 WAT1 ATOM 2064 H2 TIP3 28 -2.093 -43.852 14.705 0.00 0.00 WAT1 ATOM 2065 OH2 TIP3 29 -1.824 -49.186 20.762 0.00 0.00 WAT1 ATOM 2066 H1 TIP3 29 -2.687 -49.565 20.597 0.00 0.00 WAT1 ATOM 2067 H2 TIP3 29 -1.220 -49.925 20.688 0.00 0.00 WAT1 ATOM 2068 OH2 TIP3 30 -3.855 -50.895 14.337 0.00 0.00 WAT1 ATOM 2069 H1 TIP3 30 -2.922 -50.683 14.303 0.00 0.00 WAT1 ATOM 2070 H2 TIP3 30 -4.090 -50.793 15.260 0.00 0.00 WAT1 ATOM 2071 OH2 TIP3 31 -3.826 -50.158 17.113 0.00 0.00 WAT1 ATOM 2072 H1 TIP3 31 -4.669 -49.890 17.479 0.00 0.00 WAT1 ATOM 2073 H2 TIP3 31 -3.383 -49.336 16.902 0.00 0.00 WAT1 ATOM 2074 OH2 TIP3 32 -10.285 -39.854 20.311 0.00 0.00 WAT1 ATOM 2075 H1 TIP3 32 -10.100 -40.188 21.189 0.00 0.00 WAT1 ATOM 2076 H2 TIP3 32 -9.438 -39.545 19.989 0.00 0.00 WAT1 ATOM 2077 OH2 TIP3 33 -7.940 -38.569 19.555 0.00 0.00 WAT1 ATOM 2078 H1 TIP3 33 -7.263 -39.201 19.315 0.00 0.00 WAT1 ATOM 2079 H2 TIP3 33 -7.618 -38.167 20.363 0.00 0.00 WAT1 ATOM 2080 OH2 TIP3 34 -10.016 -38.509 15.605 0.00 0.00 WAT1 ATOM 2081 H1 TIP3 34 -10.473 -37.980 14.951 0.00 0.00 WAT1 ATOM 2082 H2 TIP3 34 -9.853 -37.906 16.330 0.00 0.00 WAT1 ATOM 2083 OH2 TIP3 35 -7.689 -39.631 16.550 0.00 0.00 WAT1 ATOM 2084 H1 TIP3 35 -8.593 -39.466 16.284 0.00 0.00 WAT1 ATOM 2085 H2 TIP3 35 -7.260 -38.778 16.484 0.00 0.00 WAT1 ATOM 2086 OH2 TIP3 36 -5.548 -44.546 31.315 0.00 0.00 WAT1 ATOM 2087 H1 TIP3 36 -5.989 -45.266 31.765 0.00 0.00 WAT1 ATOM 2088 H2 TIP3 36 -5.561 -43.825 31.945 0.00 0.00 WAT1 ATOM 2089 OH2 TIP3 37 -8.437 -39.441 31.527 0.00 0.00 WAT1 ATOM 2090 H1 TIP3 37 -7.817 -40.118 31.254 0.00 0.00 WAT1 ATOM 2091 H2 TIP3 37 -8.645 -39.659 32.435 0.00 0.00 WAT1 ATOM 2092 OH2 TIP3 38 -8.390 -44.139 28.637 0.00 0.00 WAT1 ATOM 2093 H1 TIP3 38 -8.686 -44.461 27.786 0.00 0.00 WAT1 ATOM 2094 H2 TIP3 38 -8.714 -43.239 28.679 0.00 0.00 WAT1 ATOM 2095 OH2 TIP3 39 -5.036 -42.706 33.663 0.00 0.00 WAT1 ATOM 2096 H1 TIP3 39 -5.978 -42.648 33.824 0.00 0.00 WAT1 ATOM 2097 H2 TIP3 39 -4.760 -41.800 33.526 0.00 0.00 WAT1 ATOM 2098 OH2 TIP3 40 -6.784 -40.925 30.288 0.00 0.00 WAT1 ATOM 2099 H1 TIP3 40 -6.359 -41.632 29.803 0.00 0.00 WAT1 ATOM 2100 H2 TIP3 40 -6.467 -40.124 29.871 0.00 0.00 WAT1 ATOM 2101 OH2 TIP3 41 -5.625 -43.024 28.797 0.00 0.00 WAT1 ATOM 2102 H1 TIP3 41 -5.882 -43.714 28.185 0.00 0.00 WAT1 ATOM 2103 H2 TIP3 41 -5.554 -43.467 29.642 0.00 0.00 WAT1 ATOM 2104 OH2 TIP3 42 -3.939 -44.458 37.274 0.00 0.00 WAT1 ATOM 2105 H1 TIP3 42 -3.799 -45.049 36.535 0.00 0.00 WAT1 ATOM 2106 H2 TIP3 42 -3.771 -43.585 36.918 0.00 0.00 WAT1 ATOM 2107 OH2 TIP3 43 -9.412 -49.038 24.085 0.00 0.00 WAT1 ATOM 2108 H1 TIP3 43 -8.711 -49.016 24.736 0.00 0.00 WAT1 ATOM 2109 H2 TIP3 43 -9.110 -49.666 23.429 0.00 0.00 WAT1 ATOM 2110 OH2 TIP3 44 -2.097 -48.118 35.340 0.00 0.00 WAT1 ATOM 2111 H1 TIP3 44 -2.749 -47.423 35.429 0.00 0.00 WAT1 ATOM 2112 H2 TIP3 44 -1.632 -47.908 34.530 0.00 0.00 WAT1 ATOM 2113 OH2 TIP3 45 -7.189 -48.124 25.683 0.00 0.00 WAT1 ATOM 2114 H1 TIP3 45 -6.610 -47.974 26.430 0.00 0.00 WAT1 ATOM 2115 H2 TIP3 45 -6.775 -47.653 24.960 0.00 0.00 WAT1 ATOM 2116 OH2 TIP3 46 -9.463 -41.387 29.118 0.00 0.00 WAT1 ATOM 2117 H1 TIP3 46 -8.989 -41.092 29.896 0.00 0.00 WAT1 ATOM 2118 H2 TIP3 46 -10.026 -40.649 28.885 0.00 0.00 WAT1 ATOM 2119 OH2 TIP3 47 -9.991 -38.431 27.533 0.00 0.00 WAT1 ATOM 2120 H1 TIP3 47 -10.066 -38.552 26.587 0.00 0.00 WAT1 ATOM 2121 H2 TIP3 47 -9.958 -37.481 27.652 0.00 0.00 WAT1 ATOM 2122 OH2 TIP3 48 -5.712 -47.091 23.313 0.00 0.00 WAT1 ATOM 2123 H1 TIP3 48 -5.670 -47.314 22.383 0.00 0.00 WAT1 ATOM 2124 H2 TIP3 48 -4.863 -46.693 23.503 0.00 0.00 WAT1 ATOM 2125 OH2 TIP3 49 -9.178 -43.968 25.428 0.00 0.00 WAT1 ATOM 2126 H1 TIP3 49 -9.473 -43.142 25.810 0.00 0.00 WAT1 ATOM 2127 H2 TIP3 49 -9.881 -44.588 25.624 0.00 0.00 WAT1 ATOM 2128 OH2 TIP3 50 -7.534 -42.781 37.590 0.00 0.00 WAT1 ATOM 2129 H1 TIP3 50 -8.435 -42.598 37.322 0.00 0.00 WAT1 ATOM 2130 H2 TIP3 50 -7.500 -42.522 38.511 0.00 0.00 WAT1 ATOM 2131 OH2 TIP3 51 -1.839 -44.736 38.794 0.00 0.00 WAT1 ATOM 2132 H1 TIP3 51 -2.691 -44.498 38.427 0.00 0.00 WAT1 ATOM 2133 H2 TIP3 51 -1.249 -44.753 38.041 0.00 0.00 WAT1 ATOM 2134 OH2 TIP3 52 -6.115 -43.774 24.243 0.00 0.00 WAT1 ATOM 2135 H1 TIP3 52 -5.762 -44.154 25.047 0.00 0.00 WAT1 ATOM 2136 H2 TIP3 52 -7.064 -43.867 24.329 0.00 0.00 WAT1 ATOM 2137 OH2 TIP3 53 -5.659 -40.151 37.638 0.00 0.00 WAT1 ATOM 2138 H1 TIP3 53 -6.261 -40.706 37.143 0.00 0.00 WAT1 ATOM 2139 H2 TIP3 53 -5.378 -39.484 37.012 0.00 0.00 WAT1 ATOM 2140 OH2 TIP3 54 -5.249 -45.101 26.469 0.00 0.00 WAT1 ATOM 2141 H1 TIP3 54 -5.526 -45.829 27.025 0.00 0.00 WAT1 ATOM 2142 H2 TIP3 54 -4.322 -44.982 26.675 0.00 0.00 WAT1 ATOM 2143 OH2 TIP3 55 -12.024 -42.662 22.690 0.00 0.00 WAT1 ATOM 2144 H1 TIP3 55 -11.785 -43.410 22.142 0.00 0.00 WAT1 ATOM 2145 H2 TIP3 55 -12.293 -43.050 23.522 0.00 0.00 WAT1 ATOM 2146 OH2 TIP3 56 -10.349 -41.394 25.895 0.00 0.00 WAT1 ATOM 2147 H1 TIP3 56 -11.166 -40.897 25.948 0.00 0.00 WAT1 ATOM 2148 H2 TIP3 56 -9.820 -40.919 25.255 0.00 0.00 WAT1 ATOM 2149 OH2 TIP3 57 -4.389 -39.897 33.605 0.00 0.00 WAT1 ATOM 2150 H1 TIP3 57 -4.545 -39.219 32.948 0.00 0.00 WAT1 ATOM 2151 H2 TIP3 57 -3.457 -39.825 33.808 0.00 0.00 WAT1 ATOM 2152 OH2 TIP3 58 -9.986 -40.799 22.828 0.00 0.00 WAT1 ATOM 2153 H1 TIP3 58 -10.630 -41.430 23.150 0.00 0.00 WAT1 ATOM 2154 H2 TIP3 58 -9.224 -41.330 22.596 0.00 0.00 WAT1 ATOM 2155 OH2 TIP3 59 -7.501 -41.927 40.182 0.00 0.00 WAT1 ATOM 2156 H1 TIP3 59 -7.852 -42.783 40.425 0.00 0.00 WAT1 ATOM 2157 H2 TIP3 59 -6.775 -41.784 40.789 0.00 0.00 WAT1 ATOM 2158 OH2 TIP3 60 -9.075 -44.025 22.655 0.00 0.00 WAT1 ATOM 2159 H1 TIP3 60 -9.343 -43.845 23.556 0.00 0.00 WAT1 ATOM 2160 H2 TIP3 60 -9.281 -44.951 22.524 0.00 0.00 WAT1 ATOM 2161 OH2 TIP3 61 -6.378 -45.530 37.603 0.00 0.00 WAT1 ATOM 2162 H1 TIP3 61 -5.633 -44.942 37.483 0.00 0.00 WAT1 ATOM 2163 H2 TIP3 61 -7.135 -44.948 37.666 0.00 0.00 WAT1 ATOM 2164 OH2 TIP3 62 -2.817 -46.502 22.933 0.00 0.00 WAT1 ATOM 2165 H1 TIP3 62 -3.090 -46.927 22.120 0.00 0.00 WAT1 ATOM 2166 H2 TIP3 62 -2.777 -45.571 22.716 0.00 0.00 WAT1 ATOM 2167 OH2 TIP3 63 -12.309 -38.166 24.489 0.00 0.00 WAT1 ATOM 2168 H1 TIP3 63 -11.376 -38.008 24.633 0.00 0.00 WAT1 ATOM 2169 H2 TIP3 63 -12.573 -37.491 23.864 0.00 0.00 WAT1 ATOM 2170 OH2 TIP3 64 -3.659 -43.890 41.394 0.00 0.00 WAT1 ATOM 2171 H1 TIP3 64 -4.525 -43.995 41.788 0.00 0.00 WAT1 ATOM 2172 H2 TIP3 64 -3.283 -43.131 41.841 0.00 0.00 WAT1 ATOM 2173 OH2 TIP3 65 -2.358 -45.633 26.908 0.00 0.00 WAT1 ATOM 2174 H1 TIP3 65 -1.508 -45.212 27.036 0.00 0.00 WAT1 ATOM 2175 H2 TIP3 65 -2.353 -46.373 27.516 0.00 0.00 WAT1 ATOM 2176 OH2 TIP3 66 -1.964 -47.580 28.732 0.00 0.00 WAT1 ATOM 2177 H1 TIP3 66 -2.690 -48.059 29.130 0.00 0.00 WAT1 ATOM 2178 H2 TIP3 66 -1.383 -47.374 29.464 0.00 0.00 WAT1 ATOM 2179 OH2 TIP3 67 -2.205 -44.795 33.680 0.00 0.00 WAT1 ATOM 2180 H1 TIP3 67 -1.371 -45.173 33.399 0.00 0.00 WAT1 ATOM 2181 H2 TIP3 67 -2.093 -43.852 33.561 0.00 0.00 WAT1 ATOM 2182 OH2 TIP3 68 -3.718 -41.917 35.987 0.00 0.00 WAT1 ATOM 2183 H1 TIP3 68 -4.366 -41.592 36.612 0.00 0.00 WAT1 ATOM 2184 H2 TIP3 68 -4.236 -42.357 35.312 0.00 0.00 WAT1 ATOM 2185 OH2 TIP3 69 -1.696 -47.679 25.123 0.00 0.00 WAT1 ATOM 2186 H1 TIP3 69 -2.217 -47.322 24.404 0.00 0.00 WAT1 ATOM 2187 H2 TIP3 69 -1.729 -47.004 25.801 0.00 0.00 WAT1 ATOM 2188 OH2 TIP3 70 -3.347 -50.439 23.674 0.00 0.00 WAT1 ATOM 2189 H1 TIP3 70 -3.250 -49.772 22.994 0.00 0.00 WAT1 ATOM 2190 H2 TIP3 70 -3.487 -51.255 23.192 0.00 0.00 WAT1 ATOM 2191 OH2 TIP3 71 -3.321 -47.089 38.934 0.00 0.00 WAT1 ATOM 2192 H1 TIP3 71 -2.738 -47.823 39.125 0.00 0.00 WAT1 ATOM 2193 H2 TIP3 71 -2.757 -46.317 38.980 0.00 0.00 WAT1 ATOM 2194 OH2 TIP3 72 -7.940 -38.569 38.411 0.00 0.00 WAT1 ATOM 2195 H1 TIP3 72 -7.263 -39.201 38.171 0.00 0.00 WAT1 ATOM 2196 H2 TIP3 72 -7.618 -38.167 39.219 0.00 0.00 WAT1 ATOM 2197 OH2 TIP3 73 -10.016 -38.509 34.461 0.00 0.00 WAT1 ATOM 2198 H1 TIP3 73 -10.473 -37.980 33.807 0.00 0.00 WAT1 ATOM 2199 H2 TIP3 73 -9.853 -37.906 35.186 0.00 0.00 WAT1 ATOM 2200 OH2 TIP3 74 -7.689 -39.631 35.406 0.00 0.00 WAT1 ATOM 2201 H1 TIP3 74 -8.593 -39.466 35.140 0.00 0.00 WAT1 ATOM 2202 H2 TIP3 74 -7.260 -38.778 35.340 0.00 0.00 WAT1 ATOM 2203 OH2 TIP3 75 -9.664 -38.940 24.734 0.00 0.00 WAT1 ATOM 2204 H1 TIP3 75 -8.798 -38.574 24.556 0.00 0.00 WAT1 ATOM 2205 H2 TIP3 75 -9.911 -39.380 23.921 0.00 0.00 WAT1 ATOM 2206 OH2 TIP3 76 -6.889 -39.277 43.392 0.00 0.00 WAT1 ATOM 2207 H1 TIP3 76 -6.514 -40.021 42.921 0.00 0.00 WAT1 ATOM 2208 H2 TIP3 76 -6.885 -39.547 44.310 0.00 0.00 WAT1 ATOM 2209 OH2 TIP3 77 -3.507 -41.750 45.278 0.00 0.00 WAT1 ATOM 2210 H1 TIP3 77 -3.880 -42.576 45.588 0.00 0.00 WAT1 ATOM 2211 H2 TIP3 77 -3.230 -41.933 44.381 0.00 0.00 WAT1 ATOM 2212 OH2 TIP3 78 -6.115 -43.774 43.099 0.00 0.00 WAT1 ATOM 2213 H1 TIP3 78 -5.762 -44.154 43.903 0.00 0.00 WAT1 ATOM 2214 H2 TIP3 78 -7.064 -43.867 43.185 0.00 0.00 WAT1 ATOM 2215 OH2 TIP3 79 -5.249 -45.101 45.325 0.00 0.00 WAT1 ATOM 2216 H1 TIP3 79 -5.526 -45.829 45.881 0.00 0.00 WAT1 ATOM 2217 H2 TIP3 79 -4.322 -44.982 45.531 0.00 0.00 WAT1 ATOM 2218 OH2 TIP3 80 -5.382 -40.982 41.918 0.00 0.00 WAT1 ATOM 2219 H1 TIP3 80 -5.099 -41.776 42.371 0.00 0.00 WAT1 ATOM 2220 H2 TIP3 80 -4.642 -40.749 41.357 0.00 0.00 WAT1 ATOM 2221 OH2 TIP3 81 -2.817 -46.502 41.789 0.00 0.00 WAT1 ATOM 2222 H1 TIP3 81 -3.090 -46.927 40.976 0.00 0.00 WAT1 ATOM 2223 H2 TIP3 81 -2.777 -45.571 41.572 0.00 0.00 WAT1 ATOM 2224 OH2 TIP3 82 -2.358 -45.633 45.764 0.00 0.00 WAT1 ATOM 2225 H1 TIP3 82 -1.508 -45.212 45.892 0.00 0.00 WAT1 ATOM 2226 H2 TIP3 82 -2.353 -46.373 46.372 0.00 0.00 WAT1 ATOM 2227 OH2 TIP3 83 -2.955 -39.377 46.270 0.00 0.00 WAT1 ATOM 2228 H1 TIP3 83 -3.149 -40.125 45.705 0.00 0.00 WAT1 ATOM 2229 H2 TIP3 83 -2.994 -38.619 45.686 0.00 0.00 WAT1 ATOM 2230 OH2 TIP3 84 -15.962 -24.564 14.285 0.00 0.00 WAT1 ATOM 2231 H1 TIP3 84 -16.332 -25.366 13.916 0.00 0.00 WAT1 ATOM 2232 H2 TIP3 84 -15.021 -24.733 14.332 0.00 0.00 WAT1 ATOM 2233 OH2 TIP3 85 -8.437 -20.585 12.671 0.00 0.00 WAT1 ATOM 2234 H1 TIP3 85 -7.817 -21.262 12.398 0.00 0.00 WAT1 ATOM 2235 H2 TIP3 85 -8.645 -20.803 13.579 0.00 0.00 WAT1 ATOM 2236 OH2 TIP3 86 -6.847 -33.570 10.564 0.00 0.00 WAT1 ATOM 2237 H1 TIP3 86 -6.201 -33.899 11.189 0.00 0.00 WAT1 ATOM 2238 H2 TIP3 86 -6.337 -33.052 9.941 0.00 0.00 WAT1 ATOM 2239 OH2 TIP3 87 -12.793 -29.754 12.141 0.00 0.00 WAT1 ATOM 2240 H1 TIP3 87 -12.177 -30.280 12.650 0.00 0.00 WAT1 ATOM 2241 H2 TIP3 87 -13.379 -30.394 11.737 0.00 0.00 WAT1 ATOM 2242 OH2 TIP3 88 -8.390 -25.283 9.781 0.00 0.00 WAT1 ATOM 2243 H1 TIP3 88 -8.686 -25.605 8.930 0.00 0.00 WAT1 ATOM 2244 H2 TIP3 88 -8.714 -24.383 9.823 0.00 0.00 WAT1 ATOM 2245 OH2 TIP3 89 -13.190 -27.107 16.525 0.00 0.00 WAT1 ATOM 2246 H1 TIP3 89 -13.930 -26.509 16.628 0.00 0.00 WAT1 ATOM 2247 H2 TIP3 89 -12.476 -26.553 16.209 0.00 0.00 WAT1 ATOM 2248 OH2 TIP3 90 -5.083 -34.279 12.545 0.00 0.00 WAT1 ATOM 2249 H1 TIP3 90 -5.298 -35.045 13.077 0.00 0.00 WAT1 ATOM 2250 H2 TIP3 90 -4.427 -33.807 13.058 0.00 0.00 WAT1 ATOM 2251 OH2 TIP3 91 -14.782 -25.143 17.312 0.00 0.00 WAT1 ATOM 2252 H1 TIP3 91 -14.788 -24.264 16.934 0.00 0.00 WAT1 ATOM 2253 H2 TIP3 91 -15.636 -25.226 17.737 0.00 0.00 WAT1 ATOM 2254 OH2 TIP3 92 -4.736 -35.564 16.224 0.00 0.00 WAT1 ATOM 2255 H1 TIP3 92 -5.472 -34.953 16.186 0.00 0.00 WAT1 ATOM 2256 H2 TIP3 92 -4.052 -35.149 15.698 0.00 0.00 WAT1 ATOM 2257 OH2 TIP3 93 -6.784 -22.069 11.432 0.00 0.00 WAT1 ATOM 2258 H1 TIP3 93 -6.359 -22.776 10.947 0.00 0.00 WAT1 ATOM 2259 H2 TIP3 93 -6.467 -21.268 11.015 0.00 0.00 WAT1 ATOM 2260 OH2 TIP3 94 -5.625 -24.168 9.941 0.00 0.00 WAT1 ATOM 2261 H1 TIP3 94 -5.882 -24.858 9.329 0.00 0.00 WAT1 ATOM 2262 H2 TIP3 94 -5.554 -24.611 10.786 0.00 0.00 WAT1 ATOM 2263 OH2 TIP3 95 -9.466 -28.640 8.190 0.00 0.00 WAT1 ATOM 2264 H1 TIP3 95 -10.178 -28.105 7.839 0.00 0.00 WAT1 ATOM 2265 H2 TIP3 95 -8.775 -28.584 7.530 0.00 0.00 WAT1 ATOM 2266 OH2 TIP3 96 -6.060 -28.430 9.142 0.00 0.00 WAT1 ATOM 2267 H1 TIP3 96 -6.792 -28.202 9.715 0.00 0.00 WAT1 ATOM 2268 H2 TIP3 96 -5.613 -29.144 9.597 0.00 0.00 WAT1 ATOM 2269 OH2 TIP3 97 -14.415 -27.800 11.025 0.00 0.00 WAT1 ATOM 2270 H1 TIP3 97 -14.745 -28.170 10.206 0.00 0.00 WAT1 ATOM 2271 H2 TIP3 97 -13.827 -28.470 11.371 0.00 0.00 WAT1 ATOM 2272 OH2 TIP3 98 -13.048 -24.372 13.706 0.00 0.00 WAT1 ATOM 2273 H1 TIP3 98 -13.143 -24.950 12.949 0.00 0.00 WAT1 ATOM 2274 H2 TIP3 98 -12.319 -24.743 14.202 0.00 0.00 WAT1 ATOM 2275 OH2 TIP3 99 -14.048 -29.031 14.658 0.00 0.00 WAT1 ATOM 2276 H1 TIP3 99 -13.483 -28.910 13.895 0.00 0.00 WAT1 ATOM 2277 H2 TIP3 99 -13.729 -28.394 15.297 0.00 0.00 WAT1 ATOM 2278 OH2 TIP3 100 -7.189 -29.268 6.827 0.00 0.00 WAT1 ATOM 2279 H1 TIP3 100 -6.610 -29.118 7.574 0.00 0.00 WAT1 ATOM 2280 H2 TIP3 100 -6.775 -28.797 6.104 0.00 0.00 WAT1 ATOM 2281 OH2 TIP3 101 -16.248 -28.434 18.604 0.00 0.00 WAT1 ATOM 2282 H1 TIP3 101 -16.178 -27.783 19.302 0.00 0.00 WAT1 ATOM 2283 H2 TIP3 101 -17.139 -28.331 18.269 0.00 0.00 WAT1 ATOM 2284 OH2 TIP3 102 -9.463 -22.531 10.262 0.00 0.00 WAT1 ATOM 2285 H1 TIP3 102 -8.989 -22.236 11.040 0.00 0.00 WAT1 ATOM 2286 H2 TIP3 102 -10.026 -21.793 10.029 0.00 0.00 WAT1 ATOM 2287 OH2 TIP3 103 -14.929 -22.560 20.139 0.00 0.00 WAT1 ATOM 2288 H1 TIP3 103 -14.921 -22.696 19.191 0.00 0.00 WAT1 ATOM 2289 H2 TIP3 103 -15.845 -22.678 20.391 0.00 0.00 WAT1 ATOM 2290 OH2 TIP3 104 -7.220 -20.495 8.429 0.00 0.00 WAT1 ATOM 2291 H1 TIP3 104 -8.155 -20.395 8.608 0.00 0.00 WAT1 ATOM 2292 H2 TIP3 104 -6.940 -21.204 9.007 0.00 0.00 WAT1 ATOM 2293 OH2 TIP3 105 -17.083 -25.044 18.472 0.00 0.00 WAT1 ATOM 2294 H1 TIP3 105 -16.866 -25.405 19.332 0.00 0.00 WAT1 ATOM 2295 H2 TIP3 105 -17.938 -25.418 18.262 0.00 0.00 WAT1 ATOM 2296 OH2 TIP3 106 -9.801 -36.852 17.842 0.00 0.00 WAT1 ATOM 2297 H1 TIP3 106 -9.381 -37.267 18.595 0.00 0.00 WAT1 ATOM 2298 H2 TIP3 106 -10.734 -37.030 17.959 0.00 0.00 WAT1 ATOM 2299 OH2 TIP3 107 -6.475 -33.096 18.696 0.00 0.00 WAT1 ATOM 2300 H1 TIP3 107 -6.989 -33.222 19.493 0.00 0.00 WAT1 ATOM 2301 H2 TIP3 107 -6.630 -32.184 18.451 0.00 0.00 WAT1 ATOM 2302 OH2 TIP3 108 -14.373 -31.608 15.563 0.00 0.00 WAT1 ATOM 2303 H1 TIP3 108 -15.015 -31.649 16.272 0.00 0.00 WAT1 ATOM 2304 H2 TIP3 108 -14.336 -30.682 15.325 0.00 0.00 WAT1 ATOM 2305 OH2 TIP3 109 -14.376 -31.387 10.475 0.00 0.00 WAT1 ATOM 2306 H1 TIP3 109 -15.269 -31.728 10.416 0.00 0.00 WAT1 ATOM 2307 H2 TIP3 109 -13.925 -31.764 9.719 0.00 0.00 WAT1 ATOM 2308 OH2 TIP3 110 -8.840 -30.971 9.292 0.00 0.00 WAT1 ATOM 2309 H1 TIP3 110 -9.249 -30.156 9.000 0.00 0.00 WAT1 ATOM 2310 H2 TIP3 110 -8.120 -31.111 8.677 0.00 0.00 WAT1 ATOM 2311 OH2 TIP3 111 -7.836 -31.525 12.106 0.00 0.00 WAT1 ATOM 2312 H1 TIP3 111 -8.031 -30.920 11.391 0.00 0.00 WAT1 ATOM 2313 H2 TIP3 111 -7.654 -32.359 11.671 0.00 0.00 WAT1 ATOM 2314 OH2 TIP3 112 -11.794 -33.960 11.561 0.00 0.00 WAT1 ATOM 2315 H1 TIP3 112 -12.705 -33.903 11.850 0.00 0.00 WAT1 ATOM 2316 H2 TIP3 112 -11.289 -34.020 12.372 0.00 0.00 WAT1 ATOM 2317 OH2 TIP3 113 -7.389 -34.725 14.825 0.00 0.00 WAT1 ATOM 2318 H1 TIP3 113 -8.066 -34.594 15.489 0.00 0.00 WAT1 ATOM 2319 H2 TIP3 113 -7.875 -34.880 14.015 0.00 0.00 WAT1 ATOM 2320 OH2 TIP3 114 -16.504 -26.579 20.710 0.00 0.00 WAT1 ATOM 2321 H1 TIP3 114 -15.771 -26.325 21.271 0.00 0.00 WAT1 ATOM 2322 H2 TIP3 114 -17.284 -26.375 21.225 0.00 0.00 WAT1 ATOM 2323 OH2 TIP3 115 -11.848 -32.784 15.862 0.00 0.00 WAT1 ATOM 2324 H1 TIP3 115 -12.683 -32.330 15.972 0.00 0.00 WAT1 ATOM 2325 H2 TIP3 115 -11.324 -32.508 16.614 0.00 0.00 WAT1 ATOM 2326 OH2 TIP3 116 -11.304 -26.571 7.547 0.00 0.00 WAT1 ATOM 2327 H1 TIP3 116 -12.048 -27.078 7.224 0.00 0.00 WAT1 ATOM 2328 H2 TIP3 116 -11.438 -26.522 8.493 0.00 0.00 WAT1 ATOM 2329 OH2 TIP3 117 -9.178 -25.112 6.572 0.00 0.00 WAT1 ATOM 2330 H1 TIP3 117 -9.473 -24.286 6.954 0.00 0.00 WAT1 ATOM 2331 H2 TIP3 117 -9.881 -25.732 6.768 0.00 0.00 WAT1 ATOM 2332 OH2 TIP3 118 -12.154 -29.298 20.844 0.00 0.00 WAT1 ATOM 2333 H1 TIP3 118 -12.450 -29.464 19.949 0.00 0.00 WAT1 ATOM 2334 H2 TIP3 118 -11.223 -29.518 20.834 0.00 0.00 WAT1 ATOM 2335 OH2 TIP3 119 -1.803 -31.680 7.101 0.00 0.00 WAT1 ATOM 2336 H1 TIP3 119 -2.357 -32.076 6.429 0.00 0.00 WAT1 ATOM 2337 H2 TIP3 119 -1.702 -30.770 6.824 0.00 0.00 WAT1 ATOM 2338 OH2 TIP3 120 -13.804 -23.758 10.721 0.00 0.00 WAT1 ATOM 2339 H1 TIP3 120 -13.277 -22.985 10.520 0.00 0.00 WAT1 ATOM 2340 H2 TIP3 120 -14.684 -23.533 10.419 0.00 0.00 WAT1 ATOM 2341 OH2 TIP3 121 -12.377 -26.095 10.297 0.00 0.00 WAT1 ATOM 2342 H1 TIP3 121 -12.618 -25.170 10.339 0.00 0.00 WAT1 ATOM 2343 H2 TIP3 121 -13.117 -26.554 10.693 0.00 0.00 WAT1 ATOM 2344 OH2 TIP3 122 -11.862 -21.946 16.612 0.00 0.00 WAT1 ATOM 2345 H1 TIP3 122 -11.499 -21.091 16.379 0.00 0.00 WAT1 ATOM 2346 H2 TIP3 122 -11.330 -22.238 17.353 0.00 0.00 WAT1 ATOM 2347 OH2 TIP3 123 -5.249 -26.245 7.613 0.00 0.00 WAT1 ATOM 2348 H1 TIP3 123 -5.526 -26.973 8.169 0.00 0.00 WAT1 ATOM 2349 H2 TIP3 123 -4.322 -26.126 7.819 0.00 0.00 WAT1 ATOM 2350 OH2 TIP3 124 -8.802 -34.321 17.079 0.00 0.00 WAT1 ATOM 2351 H1 TIP3 124 -8.104 -34.247 17.729 0.00 0.00 WAT1 ATOM 2352 H2 TIP3 124 -9.183 -35.185 17.234 0.00 0.00 WAT1 ATOM 2353 OH2 TIP3 125 -10.818 -32.941 9.011 0.00 0.00 WAT1 ATOM 2354 H1 TIP3 125 -10.006 -32.437 9.057 0.00 0.00 WAT1 ATOM 2355 H2 TIP3 125 -11.063 -33.086 9.925 0.00 0.00 WAT1 ATOM 2356 OH2 TIP3 126 -10.282 -31.955 18.196 0.00 0.00 WAT1 ATOM 2357 H1 TIP3 126 -10.163 -31.381 18.953 0.00 0.00 WAT1 ATOM 2358 H2 TIP3 126 -9.627 -32.643 18.311 0.00 0.00 WAT1 ATOM 2359 OH2 TIP3 127 -14.078 -21.451 22.597 0.00 0.00 WAT1 ATOM 2360 H1 TIP3 127 -13.310 -21.910 22.938 0.00 0.00 WAT1 ATOM 2361 H2 TIP3 127 -14.099 -21.677 21.667 0.00 0.00 WAT1 ATOM 2362 OH2 TIP3 128 -13.989 -30.351 18.725 0.00 0.00 WAT1 ATOM 2363 H1 TIP3 128 -14.607 -29.676 19.006 0.00 0.00 WAT1 ATOM 2364 H2 TIP3 128 -13.645 -30.030 17.892 0.00 0.00 WAT1 ATOM 2365 OH2 TIP3 129 -11.655 -29.187 17.540 0.00 0.00 WAT1 ATOM 2366 H1 TIP3 129 -10.904 -29.343 16.967 0.00 0.00 WAT1 ATOM 2367 H2 TIP3 129 -11.994 -28.335 17.264 0.00 0.00 WAT1 ATOM 2368 OH2 TIP3 130 -11.167 -32.848 21.295 0.00 0.00 WAT1 ATOM 2369 H1 TIP3 130 -11.403 -33.068 22.197 0.00 0.00 WAT1 ATOM 2370 H2 TIP3 130 -11.950 -33.055 20.786 0.00 0.00 WAT1 ATOM 2371 OH2 TIP3 131 -8.451 -33.721 20.371 0.00 0.00 WAT1 ATOM 2372 H1 TIP3 131 -9.399 -33.689 20.503 0.00 0.00 WAT1 ATOM 2373 H2 TIP3 131 -8.139 -34.346 21.025 0.00 0.00 WAT1 ATOM 2374 OH2 TIP3 132 -12.209 -37.876 20.403 0.00 0.00 WAT1 ATOM 2375 H1 TIP3 132 -11.497 -38.516 20.389 0.00 0.00 WAT1 ATOM 2376 H2 TIP3 132 -12.310 -37.609 19.489 0.00 0.00 WAT1 ATOM 2377 OH2 TIP3 133 -11.856 -36.193 22.457 0.00 0.00 WAT1 ATOM 2378 H1 TIP3 133 -11.987 -36.669 21.636 0.00 0.00 WAT1 ATOM 2379 H2 TIP3 133 -12.455 -35.449 22.401 0.00 0.00 WAT1 ATOM 2380 OH2 TIP3 134 -2.358 -26.777 8.052 0.00 0.00 WAT1 ATOM 2381 H1 TIP3 134 -1.508 -26.356 8.180 0.00 0.00 WAT1 ATOM 2382 H2 TIP3 134 -2.353 -27.517 8.660 0.00 0.00 WAT1 ATOM 2383 OH2 TIP3 135 -1.964 -28.724 9.876 0.00 0.00 WAT1 ATOM 2384 H1 TIP3 135 -2.690 -29.203 10.274 0.00 0.00 WAT1 ATOM 2385 H2 TIP3 135 -1.383 -28.518 10.608 0.00 0.00 WAT1 ATOM 2386 OH2 TIP3 136 -1.696 -28.823 6.267 0.00 0.00 WAT1 ATOM 2387 H1 TIP3 136 -2.217 -28.466 5.548 0.00 0.00 WAT1 ATOM 2388 H2 TIP3 136 -1.729 -28.148 6.945 0.00 0.00 WAT1 ATOM 2389 OH2 TIP3 137 -4.177 -30.203 10.439 0.00 0.00 WAT1 ATOM 2390 H1 TIP3 137 -4.327 -31.148 10.419 0.00 0.00 WAT1 ATOM 2391 H2 TIP3 137 -4.531 -29.922 11.283 0.00 0.00 WAT1 ATOM 2392 OH2 TIP3 138 -3.855 -32.039 14.337 0.00 0.00 WAT1 ATOM 2393 H1 TIP3 138 -2.922 -31.827 14.303 0.00 0.00 WAT1 ATOM 2394 H2 TIP3 138 -4.090 -31.937 15.260 0.00 0.00 WAT1 ATOM 2395 OH2 TIP3 139 -4.935 -20.301 10.550 0.00 0.00 WAT1 ATOM 2396 H1 TIP3 139 -4.282 -20.648 9.942 0.00 0.00 WAT1 ATOM 2397 H2 TIP3 139 -4.424 -19.812 11.196 0.00 0.00 WAT1 ATOM 2398 OH2 TIP3 140 -17.550 -23.372 21.093 0.00 0.00 WAT1 ATOM 2399 H1 TIP3 140 -18.371 -23.197 20.633 0.00 0.00 WAT1 ATOM 2400 H2 TIP3 140 -17.802 -23.445 22.014 0.00 0.00 WAT1 ATOM 2401 OH2 TIP3 141 -14.596 -22.397 17.352 0.00 0.00 WAT1 ATOM 2402 H1 TIP3 141 -15.021 -21.588 17.069 0.00 0.00 WAT1 ATOM 2403 H2 TIP3 141 -13.691 -22.312 17.050 0.00 0.00 WAT1 ATOM 2404 OH2 TIP3 142 -14.727 -19.541 16.429 0.00 0.00 WAT1 ATOM 2405 H1 TIP3 142 -15.592 -19.469 16.833 0.00 0.00 WAT1 ATOM 2406 H2 TIP3 142 -14.782 -18.994 15.645 0.00 0.00 WAT1 ATOM 2407 OH2 TIP3 143 -10.016 -19.653 15.605 0.00 0.00 WAT1 ATOM 2408 H1 TIP3 143 -10.473 -19.124 14.951 0.00 0.00 WAT1 ATOM 2409 H2 TIP3 143 -9.853 -19.050 16.330 0.00 0.00 WAT1 ATOM 2410 OH2 TIP3 144 -5.084 -19.205 16.845 0.00 0.00 WAT1 ATOM 2411 H1 TIP3 144 -5.266 -18.289 16.634 0.00 0.00 WAT1 ATOM 2412 H2 TIP3 144 -4.908 -19.615 15.998 0.00 0.00 WAT1 ATOM 2413 OH2 TIP3 145 -13.101 -21.338 13.813 0.00 0.00 WAT1 ATOM 2414 H1 TIP3 145 -12.888 -22.226 13.526 0.00 0.00 WAT1 ATOM 2415 H2 TIP3 145 -13.036 -21.372 14.768 0.00 0.00 WAT1 ATOM 2416 OH2 TIP3 146 -9.592 -35.674 12.958 0.00 0.00 WAT1 ATOM 2417 H1 TIP3 146 -10.267 -36.303 13.213 0.00 0.00 WAT1 ATOM 2418 H2 TIP3 146 -9.028 -36.158 12.355 0.00 0.00 WAT1 ATOM 2419 OH2 TIP3 147 -4.450 -37.567 13.070 0.00 0.00 WAT1 ATOM 2420 H1 TIP3 147 -3.846 -37.019 12.569 0.00 0.00 WAT1 ATOM 2421 H2 TIP3 147 -5.319 -37.247 12.830 0.00 0.00 WAT1 ATOM 2422 OH2 TIP3 148 -2.723 -36.428 11.404 0.00 0.00 WAT1 ATOM 2423 H1 TIP3 148 -2.111 -36.942 10.877 0.00 0.00 WAT1 ATOM 2424 H2 TIP3 148 -2.340 -35.550 11.427 0.00 0.00 WAT1 ATOM 2425 OH2 TIP3 149 -8.437 -20.585 31.527 0.00 0.00 WAT1 ATOM 2426 H1 TIP3 149 -7.817 -21.262 31.254 0.00 0.00 WAT1 ATOM 2427 H2 TIP3 149 -8.645 -20.803 32.435 0.00 0.00 WAT1 ATOM 2428 OH2 TIP3 150 -10.865 -26.196 33.419 0.00 0.00 WAT1 ATOM 2429 H1 TIP3 150 -10.561 -26.882 32.825 0.00 0.00 WAT1 ATOM 2430 H2 TIP3 150 -10.143 -26.078 34.037 0.00 0.00 WAT1 ATOM 2431 OH2 TIP3 151 -12.793 -29.754 30.997 0.00 0.00 WAT1 ATOM 2432 H1 TIP3 151 -12.177 -30.280 31.506 0.00 0.00 WAT1 ATOM 2433 H2 TIP3 151 -13.379 -30.394 30.593 0.00 0.00 WAT1 ATOM 2434 OH2 TIP3 152 -8.390 -25.283 28.637 0.00 0.00 WAT1 ATOM 2435 H1 TIP3 152 -8.686 -25.605 27.786 0.00 0.00 WAT1 ATOM 2436 H2 TIP3 152 -8.714 -24.383 28.679 0.00 0.00 WAT1 ATOM 2437 OH2 TIP3 153 -11.733 -37.477 32.546 0.00 0.00 WAT1 ATOM 2438 H1 TIP3 153 -11.850 -38.426 32.492 0.00 0.00 WAT1 ATOM 2439 H2 TIP3 153 -12.588 -37.145 32.819 0.00 0.00 WAT1 ATOM 2440 OH2 TIP3 154 -6.784 -22.069 30.288 0.00 0.00 WAT1 ATOM 2441 H1 TIP3 154 -6.359 -22.776 29.803 0.00 0.00 WAT1 ATOM 2442 H2 TIP3 154 -6.467 -21.268 29.871 0.00 0.00 WAT1 ATOM 2443 OH2 TIP3 155 -3.939 -25.602 37.274 0.00 0.00 WAT1 ATOM 2444 H1 TIP3 155 -3.799 -26.193 36.535 0.00 0.00 WAT1 ATOM 2445 H2 TIP3 155 -3.771 -24.729 36.918 0.00 0.00 WAT1 ATOM 2446 OH2 TIP3 156 -9.466 -28.640 27.046 0.00 0.00 WAT1 ATOM 2447 H1 TIP3 156 -10.178 -28.105 26.695 0.00 0.00 WAT1 ATOM 2448 H2 TIP3 156 -8.775 -28.584 26.386 0.00 0.00 WAT1 ATOM 2449 OH2 TIP3 157 -9.412 -30.182 24.085 0.00 0.00 WAT1 ATOM 2450 H1 TIP3 157 -8.711 -30.160 24.736 0.00 0.00 WAT1 ATOM 2451 H2 TIP3 157 -9.110 -30.810 23.429 0.00 0.00 WAT1 ATOM 2452 OH2 TIP3 158 -7.739 -23.528 34.248 0.00 0.00 WAT1 ATOM 2453 H1 TIP3 158 -7.980 -22.866 34.896 0.00 0.00 WAT1 ATOM 2454 H2 TIP3 158 -7.937 -24.362 34.673 0.00 0.00 WAT1 ATOM 2455 OH2 TIP3 159 -9.463 -22.531 29.118 0.00 0.00 WAT1 ATOM 2456 H1 TIP3 159 -8.989 -22.236 29.896 0.00 0.00 WAT1 ATOM 2457 H2 TIP3 159 -10.026 -21.793 28.885 0.00 0.00 WAT1 ATOM 2458 OH2 TIP3 160 -1.384 -22.921 38.851 0.00 0.00 WAT1 ATOM 2459 H1 TIP3 160 -1.433 -23.876 38.814 0.00 0.00 WAT1 ATOM 2460 H2 TIP3 160 -2.210 -22.653 39.253 0.00 0.00 WAT1 ATOM 2461 OH2 TIP3 161 -9.991 -19.575 27.533 0.00 0.00 WAT1 ATOM 2462 H1 TIP3 161 -10.066 -19.696 26.587 0.00 0.00 WAT1 ATOM 2463 H2 TIP3 161 -9.958 -18.625 27.652 0.00 0.00 WAT1 ATOM 2464 OH2 TIP3 162 -4.232 -31.428 39.331 0.00 0.00 WAT1 ATOM 2465 H1 TIP3 162 -4.639 -30.947 38.611 0.00 0.00 WAT1 ATOM 2466 H2 TIP3 162 -4.191 -32.333 39.024 0.00 0.00 WAT1 ATOM 2467 OH2 TIP3 163 -9.801 -36.852 36.698 0.00 0.00 WAT1 ATOM 2468 H1 TIP3 163 -9.381 -37.267 37.451 0.00 0.00 WAT1 ATOM 2469 H2 TIP3 163 -10.734 -37.030 36.815 0.00 0.00 WAT1 ATOM 2470 OH2 TIP3 164 -10.139 -34.359 23.983 0.00 0.00 WAT1 ATOM 2471 H1 TIP3 164 -10.393 -34.340 24.906 0.00 0.00 WAT1 ATOM 2472 H2 TIP3 164 -10.396 -35.231 23.682 0.00 0.00 WAT1 ATOM 2473 OH2 TIP3 165 -9.738 -30.796 39.636 0.00 0.00 WAT1 ATOM 2474 H1 TIP3 165 -10.301 -31.500 39.956 0.00 0.00 WAT1 ATOM 2475 H2 TIP3 165 -8.912 -30.916 40.103 0.00 0.00 WAT1 ATOM 2476 OH2 TIP3 166 -13.257 -33.914 23.084 0.00 0.00 WAT1 ATOM 2477 H1 TIP3 166 -13.688 -34.359 23.814 0.00 0.00 WAT1 ATOM 2478 H2 TIP3 166 -13.975 -33.542 22.572 0.00 0.00 WAT1 ATOM 2479 OH2 TIP3 167 -11.794 -33.960 30.417 0.00 0.00 WAT1 ATOM 2480 H1 TIP3 167 -12.705 -33.903 30.706 0.00 0.00 WAT1 ATOM 2481 H2 TIP3 167 -11.289 -34.020 31.228 0.00 0.00 WAT1 ATOM 2482 OH2 TIP3 168 -13.313 -32.331 26.900 0.00 0.00 WAT1 ATOM 2483 H1 TIP3 168 -12.381 -32.202 27.078 0.00 0.00 WAT1 ATOM 2484 H2 TIP3 168 -13.528 -31.661 26.251 0.00 0.00 WAT1 ATOM 2485 OH2 TIP3 169 -14.639 -31.136 24.467 0.00 0.00 WAT1 ATOM 2486 H1 TIP3 169 -15.181 -31.516 23.776 0.00 0.00 WAT1 ATOM 2487 H2 TIP3 169 -13.805 -30.942 24.038 0.00 0.00 WAT1 ATOM 2488 OH2 TIP3 170 -10.474 -31.172 32.304 0.00 0.00 WAT1 ATOM 2489 H1 TIP3 170 -9.910 -31.719 31.757 0.00 0.00 WAT1 ATOM 2490 H2 TIP3 170 -10.622 -31.694 33.093 0.00 0.00 WAT1 ATOM 2491 OH2 TIP3 171 -11.848 -32.784 34.718 0.00 0.00 WAT1 ATOM 2492 H1 TIP3 171 -12.683 -32.330 34.828 0.00 0.00 WAT1 ATOM 2493 H2 TIP3 171 -11.324 -32.508 35.470 0.00 0.00 WAT1 ATOM 2494 OH2 TIP3 172 -11.304 -26.571 26.403 0.00 0.00 WAT1 ATOM 2495 H1 TIP3 172 -12.048 -27.078 26.080 0.00 0.00 WAT1 ATOM 2496 H2 TIP3 172 -11.438 -26.522 27.349 0.00 0.00 WAT1 ATOM 2497 OH2 TIP3 173 -9.784 -26.387 37.640 0.00 0.00 WAT1 ATOM 2498 H1 TIP3 173 -10.130 -26.768 38.446 0.00 0.00 WAT1 ATOM 2499 H2 TIP3 173 -9.984 -25.453 37.711 0.00 0.00 WAT1 ATOM 2500 OH2 TIP3 174 -7.534 -23.925 37.590 0.00 0.00 WAT1 ATOM 2501 H1 TIP3 174 -8.435 -23.742 37.322 0.00 0.00 WAT1 ATOM 2502 H2 TIP3 174 -7.500 -23.666 38.511 0.00 0.00 WAT1 ATOM 2503 OH2 TIP3 175 -1.839 -25.880 38.794 0.00 0.00 WAT1 ATOM 2504 H1 TIP3 175 -2.691 -25.642 38.427 0.00 0.00 WAT1 ATOM 2505 H2 TIP3 175 -1.249 -25.897 38.041 0.00 0.00 WAT1 ATOM 2506 OH2 TIP3 176 -12.377 -26.095 29.153 0.00 0.00 WAT1 ATOM 2507 H1 TIP3 176 -12.618 -25.170 29.195 0.00 0.00 WAT1 ATOM 2508 H2 TIP3 176 -13.117 -26.554 29.549 0.00 0.00 WAT1 ATOM 2509 OH2 TIP3 177 -8.318 -25.847 35.169 0.00 0.00 WAT1 ATOM 2510 H1 TIP3 177 -8.744 -26.074 35.995 0.00 0.00 WAT1 ATOM 2511 H2 TIP3 177 -7.737 -26.585 34.986 0.00 0.00 WAT1 ATOM 2512 OH2 TIP3 178 -5.659 -21.295 37.638 0.00 0.00 WAT1 ATOM 2513 H1 TIP3 178 -6.261 -21.850 37.143 0.00 0.00 WAT1 ATOM 2514 H2 TIP3 178 -5.378 -20.628 37.012 0.00 0.00 WAT1 ATOM 2515 OH2 TIP3 179 -13.087 -24.236 25.146 0.00 0.00 WAT1 ATOM 2516 H1 TIP3 179 -12.940 -24.756 25.936 0.00 0.00 WAT1 ATOM 2517 H2 TIP3 179 -13.090 -23.329 25.452 0.00 0.00 WAT1 ATOM 2518 OH2 TIP3 180 -8.802 -34.321 35.935 0.00 0.00 WAT1 ATOM 2519 H1 TIP3 180 -8.104 -34.247 36.585 0.00 0.00 WAT1 ATOM 2520 H2 TIP3 180 -9.183 -35.185 36.090 0.00 0.00 WAT1 ATOM 2521 OH2 TIP3 181 -10.818 -32.941 27.867 0.00 0.00 WAT1 ATOM 2522 H1 TIP3 181 -10.006 -32.437 27.913 0.00 0.00 WAT1 ATOM 2523 H2 TIP3 181 -11.063 -33.086 28.781 0.00 0.00 WAT1 ATOM 2524 OH2 TIP3 182 -10.282 -31.955 37.052 0.00 0.00 WAT1 ATOM 2525 H1 TIP3 182 -10.163 -31.381 37.809 0.00 0.00 WAT1 ATOM 2526 H2 TIP3 182 -9.627 -32.643 37.167 0.00 0.00 WAT1 ATOM 2527 OH2 TIP3 183 -9.934 -35.860 28.805 0.00 0.00 WAT1 ATOM 2528 H1 TIP3 183 -10.281 -35.242 29.450 0.00 0.00 WAT1 ATOM 2529 H2 TIP3 183 -9.276 -35.359 28.324 0.00 0.00 WAT1 ATOM 2530 OH2 TIP3 184 -13.011 -21.495 25.877 0.00 0.00 WAT1 ATOM 2531 H1 TIP3 184 -12.850 -20.695 25.376 0.00 0.00 WAT1 ATOM 2532 H2 TIP3 184 -13.208 -21.188 26.762 0.00 0.00 WAT1 ATOM 2533 OH2 TIP3 185 -16.018 -24.369 24.553 0.00 0.00 WAT1 ATOM 2534 H1 TIP3 185 -15.426 -23.670 24.829 0.00 0.00 WAT1 ATOM 2535 H2 TIP3 185 -15.559 -24.802 23.834 0.00 0.00 WAT1 ATOM 2536 OH2 TIP3 186 -14.427 -26.216 22.919 0.00 0.00 WAT1 ATOM 2537 H1 TIP3 186 -14.363 -27.010 23.450 0.00 0.00 WAT1 ATOM 2538 H2 TIP3 186 -13.774 -26.335 22.230 0.00 0.00 WAT1 ATOM 2539 OH2 TIP3 187 -6.378 -26.674 37.603 0.00 0.00 WAT1 ATOM 2540 H1 TIP3 187 -5.633 -26.086 37.483 0.00 0.00 WAT1 ATOM 2541 H2 TIP3 187 -7.135 -26.092 37.666 0.00 0.00 WAT1 ATOM 2542 OH2 TIP3 188 -13.278 -28.244 25.225 0.00 0.00 WAT1 ATOM 2543 H1 TIP3 188 -13.737 -28.728 25.911 0.00 0.00 WAT1 ATOM 2544 H2 TIP3 188 -13.023 -28.912 24.589 0.00 0.00 WAT1 ATOM 2545 OH2 TIP3 189 -12.207 -30.001 23.488 0.00 0.00 WAT1 ATOM 2546 H1 TIP3 189 -12.387 -30.155 22.560 0.00 0.00 WAT1 ATOM 2547 H2 TIP3 189 -11.256 -29.893 23.532 0.00 0.00 WAT1 ATOM 2548 OH2 TIP3 190 -11.655 -29.187 36.396 0.00 0.00 WAT1 ATOM 2549 H1 TIP3 190 -10.904 -29.343 35.823 0.00 0.00 WAT1 ATOM 2550 H2 TIP3 190 -11.994 -28.335 36.120 0.00 0.00 WAT1 ATOM 2551 OH2 TIP3 191 -7.239 -31.372 41.424 0.00 0.00 WAT1 ATOM 2552 H1 TIP3 191 -7.047 -32.303 41.313 0.00 0.00 WAT1 ATOM 2553 H2 TIP3 191 -6.382 -30.947 41.414 0.00 0.00 WAT1 ATOM 2554 OH2 TIP3 192 -5.923 -28.583 39.502 0.00 0.00 WAT1 ATOM 2555 H1 TIP3 192 -6.204 -27.874 38.924 0.00 0.00 WAT1 ATOM 2556 H2 TIP3 192 -4.980 -28.656 39.351 0.00 0.00 WAT1 ATOM 2557 OH2 TIP3 193 -8.451 -33.721 39.227 0.00 0.00 WAT1 ATOM 2558 H1 TIP3 193 -9.399 -33.689 39.359 0.00 0.00 WAT1 ATOM 2559 H2 TIP3 193 -8.139 -34.346 39.881 0.00 0.00 WAT1 ATOM 2560 OH2 TIP3 194 -6.817 -35.087 41.232 0.00 0.00 WAT1 ATOM 2561 H1 TIP3 194 -6.914 -36.039 41.226 0.00 0.00 WAT1 ATOM 2562 H2 TIP3 194 -7.139 -34.818 42.093 0.00 0.00 WAT1 ATOM 2563 OH2 TIP3 195 -12.309 -19.310 24.489 0.00 0.00 WAT1 ATOM 2564 H1 TIP3 195 -11.376 -19.152 24.633 0.00 0.00 WAT1 ATOM 2565 H2 TIP3 195 -12.573 -18.635 23.864 0.00 0.00 WAT1 ATOM 2566 OH2 TIP3 196 -2.110 -20.824 36.756 0.00 0.00 WAT1 ATOM 2567 H1 TIP3 196 -2.597 -21.559 36.385 0.00 0.00 WAT1 ATOM 2568 H2 TIP3 196 -1.561 -21.217 37.434 0.00 0.00 WAT1 ATOM 2569 OH2 TIP3 197 -3.659 -25.034 41.394 0.00 0.00 WAT1 ATOM 2570 H1 TIP3 197 -4.525 -25.139 41.788 0.00 0.00 WAT1 ATOM 2571 H2 TIP3 197 -3.283 -24.275 41.841 0.00 0.00 WAT1 ATOM 2572 OH2 TIP3 198 -3.718 -23.061 35.987 0.00 0.00 WAT1 ATOM 2573 H1 TIP3 198 -4.366 -22.736 36.612 0.00 0.00 WAT1 ATOM 2574 H2 TIP3 198 -4.236 -23.501 35.312 0.00 0.00 WAT1 ATOM 2575 OH2 TIP3 199 -3.321 -28.233 38.934 0.00 0.00 WAT1 ATOM 2576 H1 TIP3 199 -2.738 -28.967 39.125 0.00 0.00 WAT1 ATOM 2577 H2 TIP3 199 -2.757 -27.461 38.980 0.00 0.00 WAT1 ATOM 2578 OH2 TIP3 200 -1.824 -30.330 39.618 0.00 0.00 WAT1 ATOM 2579 H1 TIP3 200 -2.687 -30.709 39.453 0.00 0.00 WAT1 ATOM 2580 H2 TIP3 200 -1.220 -31.069 39.544 0.00 0.00 WAT1 ATOM 2581 OH2 TIP3 201 -4.935 -20.301 29.406 0.00 0.00 WAT1 ATOM 2582 H1 TIP3 201 -4.282 -20.648 28.798 0.00 0.00 WAT1 ATOM 2583 H2 TIP3 201 -4.424 -19.812 30.052 0.00 0.00 WAT1 ATOM 2584 OH2 TIP3 202 -7.689 -20.775 35.406 0.00 0.00 WAT1 ATOM 2585 H1 TIP3 202 -8.593 -20.610 35.140 0.00 0.00 WAT1 ATOM 2586 H2 TIP3 202 -7.260 -19.922 35.340 0.00 0.00 WAT1 ATOM 2587 OH2 TIP3 203 -5.084 -19.205 35.701 0.00 0.00 WAT1 ATOM 2588 H1 TIP3 203 -5.266 -18.289 35.490 0.00 0.00 WAT1 ATOM 2589 H2 TIP3 203 -4.908 -19.615 34.854 0.00 0.00 WAT1 ATOM 2590 OH2 TIP3 204 -9.592 -35.674 31.814 0.00 0.00 WAT1 ATOM 2591 H1 TIP3 204 -10.267 -36.303 32.069 0.00 0.00 WAT1 ATOM 2592 H2 TIP3 204 -9.028 -36.158 31.211 0.00 0.00 WAT1 ATOM 2593 OH2 TIP3 205 -12.686 -37.113 29.449 0.00 0.00 WAT1 ATOM 2594 H1 TIP3 205 -11.812 -36.725 29.419 0.00 0.00 WAT1 ATOM 2595 H2 TIP3 205 -12.822 -37.328 30.372 0.00 0.00 WAT1 ATOM 2596 OH2 TIP3 206 -7.129 -37.083 31.098 0.00 0.00 WAT1 ATOM 2597 H1 TIP3 206 -7.053 -36.988 30.149 0.00 0.00 WAT1 ATOM 2598 H2 TIP3 206 -7.405 -37.991 31.227 0.00 0.00 WAT1 ATOM 2599 OH2 TIP3 207 -11.542 -35.033 26.339 0.00 0.00 WAT1 ATOM 2600 H1 TIP3 207 -11.364 -35.679 27.022 0.00 0.00 WAT1 ATOM 2601 H2 TIP3 207 -11.596 -34.199 26.806 0.00 0.00 WAT1 ATOM 2602 OH2 TIP3 208 -16.710 -20.374 23.362 0.00 0.00 WAT1 ATOM 2603 H1 TIP3 208 -16.978 -20.087 24.235 0.00 0.00 WAT1 ATOM 2604 H2 TIP3 208 -15.939 -20.920 23.514 0.00 0.00 WAT1 ATOM 2605 OH2 TIP3 209 -6.913 -37.843 40.871 0.00 0.00 WAT1 ATOM 2606 H1 TIP3 209 -6.837 -38.269 41.725 0.00 0.00 WAT1 ATOM 2607 H2 TIP3 209 -6.020 -37.829 40.529 0.00 0.00 WAT1 ATOM 2608 OH2 TIP3 210 -3.737 -21.770 39.564 0.00 0.00 WAT1 ATOM 2609 H1 TIP3 210 -4.519 -21.956 39.044 0.00 0.00 WAT1 ATOM 2610 H2 TIP3 210 -3.809 -20.841 39.781 0.00 0.00 WAT1 ATOM 2611 OH2 TIP3 211 -3.491 -37.518 44.352 0.00 0.00 WAT1 ATOM 2612 H1 TIP3 211 -4.390 -37.379 44.647 0.00 0.00 WAT1 ATOM 2613 H2 TIP3 211 -3.239 -36.687 43.950 0.00 0.00 WAT1 ATOM 2614 OH2 TIP3 212 -5.712 -28.235 42.169 0.00 0.00 WAT1 ATOM 2615 H1 TIP3 212 -5.670 -28.458 41.239 0.00 0.00 WAT1 ATOM 2616 H2 TIP3 212 -4.863 -27.837 42.359 0.00 0.00 WAT1 ATOM 2617 OH2 TIP3 213 -1.803 -31.680 44.813 0.00 0.00 WAT1 ATOM 2618 H1 TIP3 213 -2.357 -32.076 44.141 0.00 0.00 WAT1 ATOM 2619 H2 TIP3 213 -1.702 -30.770 44.536 0.00 0.00 WAT1 ATOM 2620 OH2 TIP3 214 -2.817 -27.646 41.789 0.00 0.00 WAT1 ATOM 2621 H1 TIP3 214 -3.090 -28.071 40.976 0.00 0.00 WAT1 ATOM 2622 H2 TIP3 214 -2.777 -26.715 41.572 0.00 0.00 WAT1 ATOM 2623 OH2 TIP3 215 -1.696 -28.823 43.979 0.00 0.00 WAT1 ATOM 2624 H1 TIP3 215 -2.217 -28.466 43.260 0.00 0.00 WAT1 ATOM 2625 H2 TIP3 215 -1.729 -28.148 44.657 0.00 0.00 WAT1 ATOM 2626 OH2 TIP3 216 -3.347 -31.583 42.530 0.00 0.00 WAT1 ATOM 2627 H1 TIP3 216 -3.250 -30.916 41.850 0.00 0.00 WAT1 ATOM 2628 H2 TIP3 216 -3.487 -32.399 42.048 0.00 0.00 WAT1 ATOM 2629 OH2 TIP3 217 -4.099 -34.175 41.647 0.00 0.00 WAT1 ATOM 2630 H1 TIP3 217 -3.489 -34.547 42.284 0.00 0.00 WAT1 ATOM 2631 H2 TIP3 217 -4.936 -34.597 41.843 0.00 0.00 WAT1 ATOM 2632 OH2 TIP3 218 -1.987 -35.290 43.190 0.00 0.00 WAT1 ATOM 2633 H1 TIP3 218 -1.574 -36.011 42.714 0.00 0.00 WAT1 ATOM 2634 H2 TIP3 218 -1.305 -34.620 43.248 0.00 0.00 WAT1 ATOM 2635 OH2 TIP3 219 -5.776 -37.057 45.647 0.00 0.00 WAT1 ATOM 2636 H1 TIP3 219 -6.479 -36.443 45.437 0.00 0.00 WAT1 ATOM 2637 H2 TIP3 219 -6.221 -37.895 45.778 0.00 0.00 WAT1 ATOM 2638 OH2 TIP3 220 -4.736 -16.708 16.224 0.00 0.00 WAT1 ATOM 2639 H1 TIP3 220 -5.472 -16.097 16.186 0.00 0.00 WAT1 ATOM 2640 H2 TIP3 220 -4.052 -16.293 15.698 0.00 0.00 WAT1 ATOM 2641 OH2 TIP3 221 -4.232 -12.572 20.475 0.00 0.00 WAT1 ATOM 2642 H1 TIP3 221 -4.639 -12.091 19.755 0.00 0.00 WAT1 ATOM 2643 H2 TIP3 221 -4.191 -13.477 20.168 0.00 0.00 WAT1 ATOM 2644 OH2 TIP3 222 -9.801 -17.996 17.842 0.00 0.00 WAT1 ATOM 2645 H1 TIP3 222 -9.381 -18.411 18.595 0.00 0.00 WAT1 ATOM 2646 H2 TIP3 222 -10.734 -18.174 17.959 0.00 0.00 WAT1 ATOM 2647 OH2 TIP3 223 -6.475 -14.240 18.696 0.00 0.00 WAT1 ATOM 2648 H1 TIP3 223 -6.989 -14.366 19.493 0.00 0.00 WAT1 ATOM 2649 H2 TIP3 223 -6.630 -13.328 18.451 0.00 0.00 WAT1 ATOM 2650 OH2 TIP3 224 -8.802 -15.465 17.079 0.00 0.00 WAT1 ATOM 2651 H1 TIP3 224 -8.104 -15.391 17.729 0.00 0.00 WAT1 ATOM 2652 H2 TIP3 224 -9.183 -16.329 17.234 0.00 0.00 WAT1 ATOM 2653 OH2 TIP3 225 -4.078 -15.192 19.031 0.00 0.00 WAT1 ATOM 2654 H1 TIP3 225 -4.994 -14.929 18.943 0.00 0.00 WAT1 ATOM 2655 H2 TIP3 225 -3.742 -15.195 18.134 0.00 0.00 WAT1 ATOM 2656 OH2 TIP3 226 -7.239 -12.516 22.568 0.00 0.00 WAT1 ATOM 2657 H1 TIP3 226 -7.047 -13.447 22.457 0.00 0.00 WAT1 ATOM 2658 H2 TIP3 226 -6.382 -12.091 22.558 0.00 0.00 WAT1 ATOM 2659 OH2 TIP3 227 -12.431 -18.314 17.732 0.00 0.00 WAT1 ATOM 2660 H1 TIP3 227 -12.529 -17.367 17.626 0.00 0.00 WAT1 ATOM 2661 H2 TIP3 227 -13.174 -18.686 17.256 0.00 0.00 WAT1 ATOM 2662 OH2 TIP3 228 -11.167 -13.992 21.295 0.00 0.00 WAT1 ATOM 2663 H1 TIP3 228 -11.403 -14.212 22.197 0.00 0.00 WAT1 ATOM 2664 H2 TIP3 228 -11.950 -14.199 20.786 0.00 0.00 WAT1 ATOM 2665 OH2 TIP3 229 -8.451 -14.865 20.371 0.00 0.00 WAT1 ATOM 2666 H1 TIP3 229 -9.399 -14.833 20.503 0.00 0.00 WAT1 ATOM 2667 H2 TIP3 229 -8.139 -15.490 21.025 0.00 0.00 WAT1 ATOM 2668 OH2 TIP3 230 -12.209 -19.020 20.403 0.00 0.00 WAT1 ATOM 2669 H1 TIP3 230 -11.497 -19.660 20.389 0.00 0.00 WAT1 ATOM 2670 H2 TIP3 230 -12.310 -18.753 19.489 0.00 0.00 WAT1 ATOM 2671 OH2 TIP3 231 -11.856 -17.337 22.457 0.00 0.00 WAT1 ATOM 2672 H1 TIP3 231 -11.987 -17.813 21.636 0.00 0.00 WAT1 ATOM 2673 H2 TIP3 231 -12.455 -16.593 22.401 0.00 0.00 WAT1 ATOM 2674 OH2 TIP3 232 -2.023 -16.357 20.816 0.00 0.00 WAT1 ATOM 2675 H1 TIP3 232 -2.940 -16.086 20.780 0.00 0.00 WAT1 ATOM 2676 H2 TIP3 232 -1.900 -16.892 20.032 0.00 0.00 WAT1 ATOM 2677 OH2 TIP3 233 -3.022 -18.267 18.635 0.00 0.00 WAT1 ATOM 2678 H1 TIP3 233 -3.835 -17.942 18.247 0.00 0.00 WAT1 ATOM 2679 H2 TIP3 233 -2.789 -19.027 18.102 0.00 0.00 WAT1 ATOM 2680 OH2 TIP3 234 -4.450 -18.711 13.070 0.00 0.00 WAT1 ATOM 2681 H1 TIP3 234 -3.846 -18.163 12.569 0.00 0.00 WAT1 ATOM 2682 H2 TIP3 234 -5.319 -18.391 12.830 0.00 0.00 WAT1 ATOM 2683 OH2 TIP3 235 -7.129 -18.227 12.242 0.00 0.00 WAT1 ATOM 2684 H1 TIP3 235 -7.053 -18.132 11.293 0.00 0.00 WAT1 ATOM 2685 H2 TIP3 235 -7.405 -19.135 12.371 0.00 0.00 WAT1 ATOM 2686 OH2 TIP3 236 -15.335 -18.319 21.833 0.00 0.00 WAT1 ATOM 2687 H1 TIP3 236 -14.436 -18.593 21.648 0.00 0.00 WAT1 ATOM 2688 H2 TIP3 236 -15.721 -19.062 22.297 0.00 0.00 WAT1 ATOM 2689 OH2 TIP3 237 -2.202 -15.739 34.280 0.00 0.00 WAT1 ATOM 2690 H1 TIP3 237 -2.153 -15.129 35.016 0.00 0.00 WAT1 ATOM 2691 H2 TIP3 237 -1.776 -15.278 33.557 0.00 0.00 WAT1 ATOM 2692 OH2 TIP3 238 -6.847 -14.714 29.420 0.00 0.00 WAT1 ATOM 2693 H1 TIP3 238 -6.201 -15.043 30.045 0.00 0.00 WAT1 ATOM 2694 H2 TIP3 238 -6.337 -14.196 28.797 0.00 0.00 WAT1 ATOM 2695 OH2 TIP3 239 -1.810 -14.261 36.516 0.00 0.00 WAT1 ATOM 2696 H1 TIP3 239 -2.499 -13.603 36.421 0.00 0.00 WAT1 ATOM 2697 H2 TIP3 239 -1.795 -14.458 37.453 0.00 0.00 WAT1 ATOM 2698 OH2 TIP3 240 -5.083 -15.423 31.401 0.00 0.00 WAT1 ATOM 2699 H1 TIP3 240 -5.298 -16.189 31.933 0.00 0.00 WAT1 ATOM 2700 H2 TIP3 240 -4.427 -14.951 31.914 0.00 0.00 WAT1 ATOM 2701 OH2 TIP3 241 -4.736 -16.708 35.080 0.00 0.00 WAT1 ATOM 2702 H1 TIP3 241 -5.472 -16.097 35.042 0.00 0.00 WAT1 ATOM 2703 H2 TIP3 241 -4.052 -16.293 34.554 0.00 0.00 WAT1 ATOM 2704 OH2 TIP3 242 -10.139 -15.503 23.983 0.00 0.00 WAT1 ATOM 2705 H1 TIP3 242 -10.393 -15.484 24.906 0.00 0.00 WAT1 ATOM 2706 H2 TIP3 242 -10.396 -16.375 23.682 0.00 0.00 WAT1 ATOM 2707 OH2 TIP3 243 -13.257 -15.058 23.084 0.00 0.00 WAT1 ATOM 2708 H1 TIP3 243 -13.688 -15.503 23.814 0.00 0.00 WAT1 ATOM 2709 H2 TIP3 243 -13.975 -14.686 22.572 0.00 0.00 WAT1 ATOM 2710 OH2 TIP3 244 -7.406 -14.901 24.602 0.00 0.00 WAT1 ATOM 2711 H1 TIP3 244 -8.344 -14.789 24.451 0.00 0.00 WAT1 ATOM 2712 H2 TIP3 244 -7.109 -14.044 24.908 0.00 0.00 WAT1 ATOM 2713 OH2 TIP3 245 -6.688 -13.034 26.263 0.00 0.00 WAT1 ATOM 2714 H1 TIP3 245 -5.796 -13.171 26.582 0.00 0.00 WAT1 ATOM 2715 H2 TIP3 245 -6.631 -12.243 25.726 0.00 0.00 WAT1 ATOM 2716 OH2 TIP3 246 -1.803 -12.824 25.957 0.00 0.00 WAT1 ATOM 2717 H1 TIP3 246 -2.357 -13.220 25.285 0.00 0.00 WAT1 ATOM 2718 H2 TIP3 246 -1.702 -11.914 25.680 0.00 0.00 WAT1 ATOM 2719 OH2 TIP3 247 -8.018 -15.813 27.032 0.00 0.00 WAT1 ATOM 2720 H1 TIP3 247 -7.798 -15.341 26.229 0.00 0.00 WAT1 ATOM 2721 H2 TIP3 247 -7.460 -15.418 27.703 0.00 0.00 WAT1 ATOM 2722 OH2 TIP3 248 -10.818 -14.085 27.867 0.00 0.00 WAT1 ATOM 2723 H1 TIP3 248 -10.006 -13.581 27.913 0.00 0.00 WAT1 ATOM 2724 H2 TIP3 248 -11.063 -14.230 28.781 0.00 0.00 WAT1 ATOM 2725 OH2 TIP3 249 -9.934 -17.004 28.805 0.00 0.00 WAT1 ATOM 2726 H1 TIP3 249 -10.281 -16.386 29.450 0.00 0.00 WAT1 ATOM 2727 H2 TIP3 249 -9.276 -16.503 28.324 0.00 0.00 WAT1 ATOM 2728 OH2 TIP3 250 -1.696 -9.967 25.123 0.00 0.00 WAT1 ATOM 2729 H1 TIP3 250 -2.217 -9.610 24.404 0.00 0.00 WAT1 ATOM 2730 H2 TIP3 250 -1.729 -9.292 25.801 0.00 0.00 WAT1 ATOM 2731 OH2 TIP3 251 -3.347 -12.727 23.674 0.00 0.00 WAT1 ATOM 2732 H1 TIP3 251 -3.250 -12.060 22.994 0.00 0.00 WAT1 ATOM 2733 H2 TIP3 251 -3.487 -13.543 23.192 0.00 0.00 WAT1 ATOM 2734 OH2 TIP3 252 -4.099 -15.319 22.791 0.00 0.00 WAT1 ATOM 2735 H1 TIP3 252 -3.489 -15.691 23.428 0.00 0.00 WAT1 ATOM 2736 H2 TIP3 252 -4.936 -15.741 22.987 0.00 0.00 WAT1 ATOM 2737 OH2 TIP3 253 -4.467 -13.764 27.757 0.00 0.00 WAT1 ATOM 2738 H1 TIP3 253 -4.187 -14.671 27.882 0.00 0.00 WAT1 ATOM 2739 H2 TIP3 253 -3.708 -13.330 27.368 0.00 0.00 WAT1 ATOM 2740 OH2 TIP3 254 -3.855 -13.183 33.193 0.00 0.00 WAT1 ATOM 2741 H1 TIP3 254 -2.922 -12.971 33.159 0.00 0.00 WAT1 ATOM 2742 H2 TIP3 254 -4.090 -13.081 34.116 0.00 0.00 WAT1 ATOM 2743 OH2 TIP3 255 -3.853 -16.501 27.806 0.00 0.00 WAT1 ATOM 2744 H1 TIP3 255 -3.671 -16.950 28.631 0.00 0.00 WAT1 ATOM 2745 H2 TIP3 255 -4.453 -17.086 27.342 0.00 0.00 WAT1 ATOM 2746 OH2 TIP3 256 -1.987 -16.434 24.334 0.00 0.00 WAT1 ATOM 2747 H1 TIP3 256 -1.574 -17.155 23.858 0.00 0.00 WAT1 ATOM 2748 H2 TIP3 256 -1.305 -15.764 24.392 0.00 0.00 WAT1 ATOM 2749 OH2 TIP3 257 -3.022 -18.267 37.491 0.00 0.00 WAT1 ATOM 2750 H1 TIP3 257 -3.835 -17.942 37.103 0.00 0.00 WAT1 ATOM 2751 H2 TIP3 257 -2.789 -19.027 36.958 0.00 0.00 WAT1 ATOM 2752 OH2 TIP3 258 -7.129 -18.227 31.098 0.00 0.00 WAT1 ATOM 2753 H1 TIP3 258 -7.053 -18.132 30.149 0.00 0.00 WAT1 ATOM 2754 H2 TIP3 258 -7.405 -19.135 31.227 0.00 0.00 WAT1 ATOM 2755 OH2 TIP3 259 -11.542 -16.177 26.339 0.00 0.00 WAT1 ATOM 2756 H1 TIP3 259 -11.364 -16.823 27.022 0.00 0.00 WAT1 ATOM 2757 H2 TIP3 259 -11.596 -15.343 26.806 0.00 0.00 WAT1 ATOM 2758 OH2 TIP3 260 13.308 -44.546 12.459 0.00 0.00 WAT1 ATOM 2759 H1 TIP3 260 12.867 -45.266 12.909 0.00 0.00 WAT1 ATOM 2760 H2 TIP3 260 13.295 -43.825 13.089 0.00 0.00 WAT1 ATOM 2761 OH2 TIP3 261 10.419 -39.441 12.671 0.00 0.00 WAT1 ATOM 2762 H1 TIP3 261 11.039 -40.118 12.398 0.00 0.00 WAT1 ATOM 2763 H2 TIP3 261 10.211 -39.659 13.579 0.00 0.00 WAT1 ATOM 2764 OH2 TIP3 262 7.991 -45.052 14.563 0.00 0.00 WAT1 ATOM 2765 H1 TIP3 262 8.295 -45.738 13.969 0.00 0.00 WAT1 ATOM 2766 H2 TIP3 262 8.713 -44.934 15.181 0.00 0.00 WAT1 ATOM 2767 OH2 TIP3 263 5.666 -45.963 16.525 0.00 0.00 WAT1 ATOM 2768 H1 TIP3 263 4.926 -45.365 16.628 0.00 0.00 WAT1 ATOM 2769 H2 TIP3 263 6.380 -45.409 16.209 0.00 0.00 WAT1 ATOM 2770 OH2 TIP3 264 4.074 -43.999 17.312 0.00 0.00 WAT1 ATOM 2771 H1 TIP3 264 4.068 -43.120 16.934 0.00 0.00 WAT1 ATOM 2772 H2 TIP3 264 3.220 -44.082 17.737 0.00 0.00 WAT1 ATOM 2773 OH2 TIP3 265 12.072 -40.925 11.432 0.00 0.00 WAT1 ATOM 2774 H1 TIP3 265 12.497 -41.632 10.947 0.00 0.00 WAT1 ATOM 2775 H2 TIP3 265 12.389 -40.124 11.015 0.00 0.00 WAT1 ATOM 2776 OH2 TIP3 266 13.231 -43.024 9.941 0.00 0.00 WAT1 ATOM 2777 H1 TIP3 266 12.974 -43.714 9.329 0.00 0.00 WAT1 ATOM 2778 H2 TIP3 266 13.302 -43.467 10.786 0.00 0.00 WAT1 ATOM 2779 OH2 TIP3 267 16.759 -48.118 16.484 0.00 0.00 WAT1 ATOM 2780 H1 TIP3 267 16.107 -47.423 16.573 0.00 0.00 WAT1 ATOM 2781 H2 TIP3 267 17.224 -47.908 15.674 0.00 0.00 WAT1 ATOM 2782 OH2 TIP3 268 12.693 -49.112 18.210 0.00 0.00 WAT1 ATOM 2783 H1 TIP3 268 12.773 -48.349 18.782 0.00 0.00 WAT1 ATOM 2784 H2 TIP3 268 12.092 -48.833 17.519 0.00 0.00 WAT1 ATOM 2785 OH2 TIP3 269 5.808 -43.228 13.706 0.00 0.00 WAT1 ATOM 2786 H1 TIP3 269 5.713 -43.806 12.949 0.00 0.00 WAT1 ATOM 2787 H2 TIP3 269 6.537 -43.599 14.202 0.00 0.00 WAT1 ATOM 2788 OH2 TIP3 270 2.608 -47.290 18.604 0.00 0.00 WAT1 ATOM 2789 H1 TIP3 270 2.678 -46.639 19.302 0.00 0.00 WAT1 ATOM 2790 H2 TIP3 270 1.717 -47.187 18.269 0.00 0.00 WAT1 ATOM 2791 OH2 TIP3 271 9.393 -41.387 10.262 0.00 0.00 WAT1 ATOM 2792 H1 TIP3 271 9.867 -41.092 11.040 0.00 0.00 WAT1 ATOM 2793 H2 TIP3 271 8.830 -40.649 10.029 0.00 0.00 WAT1 ATOM 2794 OH2 TIP3 272 -0.476 -45.223 17.429 0.00 0.00 WAT1 ATOM 2795 H1 TIP3 272 -0.977 -45.251 16.614 0.00 0.00 WAT1 ATOM 2796 H2 TIP3 272 -0.470 -46.129 17.739 0.00 0.00 WAT1 ATOM 2797 OH2 TIP3 273 -0.725 -42.443 14.313 0.00 0.00 WAT1 ATOM 2798 H1 TIP3 273 0.221 -42.587 14.294 0.00 0.00 WAT1 ATOM 2799 H2 TIP3 273 -0.838 -41.659 14.850 0.00 0.00 WAT1 ATOM 2800 OH2 TIP3 274 8.865 -38.431 8.677 0.00 0.00 WAT1 ATOM 2801 H1 TIP3 274 8.790 -38.552 7.731 0.00 0.00 WAT1 ATOM 2802 H2 TIP3 274 8.898 -37.481 8.796 0.00 0.00 WAT1 ATOM 2803 OH2 TIP3 275 2.519 -39.642 10.458 0.00 0.00 WAT1 ATOM 2804 H1 TIP3 275 2.671 -39.990 11.337 0.00 0.00 WAT1 ATOM 2805 H2 TIP3 275 1.668 -39.998 10.203 0.00 0.00 WAT1 ATOM 2806 OH2 TIP3 276 11.636 -39.351 8.429 0.00 0.00 WAT1 ATOM 2807 H1 TIP3 276 10.701 -39.251 8.608 0.00 0.00 WAT1 ATOM 2808 H2 TIP3 276 11.916 -40.060 9.007 0.00 0.00 WAT1 ATOM 2809 OH2 TIP3 277 14.624 -50.284 20.475 0.00 0.00 WAT1 ATOM 2810 H1 TIP3 277 14.217 -49.803 19.755 0.00 0.00 WAT1 ATOM 2811 H2 TIP3 277 14.665 -51.189 20.168 0.00 0.00 WAT1 ATOM 2812 OH2 TIP3 278 1.773 -43.900 18.472 0.00 0.00 WAT1 ATOM 2813 H1 TIP3 278 1.990 -44.261 19.332 0.00 0.00 WAT1 ATOM 2814 H2 TIP3 278 0.918 -44.274 18.262 0.00 0.00 WAT1 ATOM 2815 OH2 TIP3 279 9.118 -49.652 20.780 0.00 0.00 WAT1 ATOM 2816 H1 TIP3 279 8.555 -50.356 21.100 0.00 0.00 WAT1 ATOM 2817 H2 TIP3 279 9.944 -49.772 21.247 0.00 0.00 WAT1 ATOM 2818 OH2 TIP3 280 10.284 -48.743 16.777 0.00 0.00 WAT1 ATOM 2819 H1 TIP3 280 10.608 -49.374 16.134 0.00 0.00 WAT1 ATOM 2820 H2 TIP3 280 9.844 -49.278 17.438 0.00 0.00 WAT1 ATOM 2821 OH2 TIP3 281 2.352 -45.435 20.710 0.00 0.00 WAT1 ATOM 2822 H1 TIP3 281 3.085 -45.181 21.271 0.00 0.00 WAT1 ATOM 2823 H2 TIP3 281 1.572 -45.231 21.225 0.00 0.00 WAT1 ATOM 2824 OH2 TIP3 282 14.702 -46.294 16.333 0.00 0.00 WAT1 ATOM 2825 H1 TIP3 282 15.344 -45.837 15.790 0.00 0.00 WAT1 ATOM 2826 H2 TIP3 282 13.872 -46.181 15.871 0.00 0.00 WAT1 ATOM 2827 OH2 TIP3 283 9.072 -45.243 18.784 0.00 0.00 WAT1 ATOM 2828 H1 TIP3 283 8.726 -45.624 19.590 0.00 0.00 WAT1 ATOM 2829 H2 TIP3 283 8.872 -44.309 18.855 0.00 0.00 WAT1 ATOM 2830 OH2 TIP3 284 2.677 -46.132 13.316 0.00 0.00 WAT1 ATOM 2831 H1 TIP3 284 3.422 -46.134 12.715 0.00 0.00 WAT1 ATOM 2832 H2 TIP3 284 2.755 -46.956 13.798 0.00 0.00 WAT1 ATOM 2833 OH2 TIP3 285 -0.315 -47.671 18.631 0.00 0.00 WAT1 ATOM 2834 H1 TIP3 285 -0.092 -48.089 19.463 0.00 0.00 WAT1 ATOM 2835 H2 TIP3 285 -0.917 -48.284 18.209 0.00 0.00 WAT1 ATOM 2836 OH2 TIP3 286 6.702 -48.154 20.844 0.00 0.00 WAT1 ATOM 2837 H1 TIP3 286 6.406 -48.320 19.949 0.00 0.00 WAT1 ATOM 2838 H2 TIP3 286 7.633 -48.374 20.834 0.00 0.00 WAT1 ATOM 2839 OH2 TIP3 287 12.509 -46.942 14.588 0.00 0.00 WAT1 ATOM 2840 H1 TIP3 287 11.581 -47.174 14.561 0.00 0.00 WAT1 ATOM 2841 H2 TIP3 287 12.960 -47.719 14.258 0.00 0.00 WAT1 ATOM 2842 OH2 TIP3 288 5.052 -42.614 10.721 0.00 0.00 WAT1 ATOM 2843 H1 TIP3 288 5.579 -41.841 10.520 0.00 0.00 WAT1 ATOM 2844 H2 TIP3 288 4.172 -42.389 10.419 0.00 0.00 WAT1 ATOM 2845 OH2 TIP3 289 6.479 -44.951 10.297 0.00 0.00 WAT1 ATOM 2846 H1 TIP3 289 6.238 -44.026 10.339 0.00 0.00 WAT1 ATOM 2847 H2 TIP3 289 5.739 -45.410 10.693 0.00 0.00 WAT1 ATOM 2848 OH2 TIP3 290 5.163 -39.929 9.842 0.00 0.00 WAT1 ATOM 2849 H1 TIP3 290 4.213 -39.824 9.894 0.00 0.00 WAT1 ATOM 2850 H2 TIP3 290 5.514 -39.109 10.187 0.00 0.00 WAT1 ATOM 2851 OH2 TIP3 291 10.538 -44.703 16.313 0.00 0.00 WAT1 ATOM 2852 H1 TIP3 291 10.112 -44.930 17.139 0.00 0.00 WAT1 ATOM 2853 H2 TIP3 291 11.119 -45.441 16.130 0.00 0.00 WAT1 ATOM 2854 OH2 TIP3 292 0.892 -41.839 9.647 0.00 0.00 WAT1 ATOM 2855 H1 TIP3 292 0.060 -41.366 9.674 0.00 0.00 WAT1 ATOM 2856 H2 TIP3 292 1.438 -41.329 9.048 0.00 0.00 WAT1 ATOM 2857 OH2 TIP3 293 0.088 -45.416 21.931 0.00 0.00 WAT1 ATOM 2858 H1 TIP3 293 0.232 -46.318 21.645 0.00 0.00 WAT1 ATOM 2859 H2 TIP3 293 -0.685 -45.130 21.443 0.00 0.00 WAT1 ATOM 2860 OH2 TIP3 294 6.743 -45.446 21.364 0.00 0.00 WAT1 ATOM 2861 H1 TIP3 294 6.415 -45.175 20.506 0.00 0.00 WAT1 ATOM 2862 H2 TIP3 294 6.895 -46.387 21.276 0.00 0.00 WAT1 ATOM 2863 OH2 TIP3 295 0.920 -48.216 21.351 0.00 0.00 WAT1 ATOM 2864 H1 TIP3 295 1.328 -49.073 21.230 0.00 0.00 WAT1 ATOM 2865 H2 TIP3 295 0.660 -48.201 22.272 0.00 0.00 WAT1 ATOM 2866 OH2 TIP3 296 9.887 -46.736 22.003 0.00 0.00 WAT1 ATOM 2867 H1 TIP3 296 10.840 -46.652 21.975 0.00 0.00 WAT1 ATOM 2868 H2 TIP3 296 9.727 -47.447 22.622 0.00 0.00 WAT1 ATOM 2869 OH2 TIP3 297 7.201 -48.043 17.540 0.00 0.00 WAT1 ATOM 2870 H1 TIP3 297 7.952 -48.199 16.967 0.00 0.00 WAT1 ATOM 2871 H2 TIP3 297 6.862 -47.191 17.264 0.00 0.00 WAT1 ATOM 2872 OH2 TIP3 298 11.617 -50.228 22.568 0.00 0.00 WAT1 ATOM 2873 H1 TIP3 298 11.809 -51.159 22.457 0.00 0.00 WAT1 ATOM 2874 H2 TIP3 298 12.474 -49.803 22.558 0.00 0.00 WAT1 ATOM 2875 OH2 TIP3 299 -1.236 -38.137 10.193 0.00 0.00 WAT1 ATOM 2876 H1 TIP3 299 -1.883 -38.599 9.660 0.00 0.00 WAT1 ATOM 2877 H2 TIP3 299 -0.881 -38.809 10.776 0.00 0.00 WAT1 ATOM 2878 OH2 TIP3 300 -0.366 -40.056 11.998 0.00 0.00 WAT1 ATOM 2879 H1 TIP3 300 -0.700 -40.937 12.170 0.00 0.00 WAT1 ATOM 2880 H2 TIP3 300 -0.144 -39.711 12.862 0.00 0.00 WAT1 ATOM 2881 OH2 TIP3 301 16.651 -44.795 14.824 0.00 0.00 WAT1 ATOM 2882 H1 TIP3 301 17.485 -45.173 14.543 0.00 0.00 WAT1 ATOM 2883 H2 TIP3 301 16.763 -43.852 14.705 0.00 0.00 WAT1 ATOM 2884 OH2 TIP3 302 -0.286 -46.981 14.449 0.00 0.00 WAT1 ATOM 2885 H1 TIP3 302 -0.102 -47.063 13.514 0.00 0.00 WAT1 ATOM 2886 H2 TIP3 302 0.563 -47.105 14.873 0.00 0.00 WAT1 ATOM 2887 OH2 TIP3 303 15.535 -47.089 20.078 0.00 0.00 WAT1 ATOM 2888 H1 TIP3 303 16.118 -47.823 20.269 0.00 0.00 WAT1 ATOM 2889 H2 TIP3 303 16.099 -46.317 20.124 0.00 0.00 WAT1 ATOM 2890 OH2 TIP3 304 17.032 -49.186 20.762 0.00 0.00 WAT1 ATOM 2891 H1 TIP3 304 16.169 -49.565 20.597 0.00 0.00 WAT1 ATOM 2892 H2 TIP3 304 17.636 -49.925 20.688 0.00 0.00 WAT1 ATOM 2893 OH2 TIP3 305 -0.688 -51.710 20.590 0.00 0.00 WAT1 ATOM 2894 H1 TIP3 305 0.231 -51.832 20.826 0.00 0.00 WAT1 ATOM 2895 H2 TIP3 305 -1.138 -52.460 20.979 0.00 0.00 WAT1 ATOM 2896 OH2 TIP3 306 -1.163 -50.399 14.550 0.00 0.00 WAT1 ATOM 2897 H1 TIP3 306 -0.671 -50.620 13.760 0.00 0.00 WAT1 ATOM 2898 H2 TIP3 306 -0.801 -49.558 14.831 0.00 0.00 WAT1 ATOM 2899 OH2 TIP3 307 13.921 -39.157 10.550 0.00 0.00 WAT1 ATOM 2900 H1 TIP3 307 14.574 -39.504 9.942 0.00 0.00 WAT1 ATOM 2901 H2 TIP3 307 14.432 -38.668 11.196 0.00 0.00 WAT1 ATOM 2902 OH2 TIP3 308 0.328 -40.150 7.481 0.00 0.00 WAT1 ATOM 2903 H1 TIP3 308 -0.357 -40.188 6.813 0.00 0.00 WAT1 ATOM 2904 H2 TIP3 308 0.331 -39.237 7.769 0.00 0.00 WAT1 ATOM 2905 OH2 TIP3 309 15.901 -39.377 8.558 0.00 0.00 WAT1 ATOM 2906 H1 TIP3 309 15.707 -40.125 7.993 0.00 0.00 WAT1 ATOM 2907 H2 TIP3 309 15.862 -38.619 7.974 0.00 0.00 WAT1 ATOM 2908 OH2 TIP3 310 9.602 -47.485 33.013 0.00 0.00 WAT1 ATOM 2909 H1 TIP3 310 9.564 -48.131 33.718 0.00 0.00 WAT1 ATOM 2910 H2 TIP3 310 9.279 -47.951 32.242 0.00 0.00 WAT1 ATOM 2911 OH2 TIP3 311 1.970 -47.870 34.606 0.00 0.00 WAT1 ATOM 2912 H1 TIP3 311 2.012 -48.496 35.330 0.00 0.00 WAT1 ATOM 2913 H2 TIP3 311 2.673 -47.247 34.788 0.00 0.00 WAT1 ATOM 2914 OH2 TIP3 312 13.308 -44.546 31.315 0.00 0.00 WAT1 ATOM 2915 H1 TIP3 312 12.867 -45.266 31.765 0.00 0.00 WAT1 ATOM 2916 H2 TIP3 312 13.295 -43.825 31.945 0.00 0.00 WAT1 ATOM 2917 OH2 TIP3 313 -0.496 -49.760 28.534 0.00 0.00 WAT1 ATOM 2918 H1 TIP3 313 -0.944 -48.914 28.516 0.00 0.00 WAT1 ATOM 2919 H2 TIP3 313 -1.057 -50.340 28.019 0.00 0.00 WAT1 ATOM 2920 OH2 TIP3 314 0.214 -47.598 30.660 0.00 0.00 WAT1 ATOM 2921 H1 TIP3 314 0.428 -48.368 31.187 0.00 0.00 WAT1 ATOM 2922 H2 TIP3 314 0.952 -47.509 30.057 0.00 0.00 WAT1 ATOM 2923 OH2 TIP3 315 4.287 -52.557 31.019 0.00 0.00 WAT1 ATOM 2924 H1 TIP3 315 4.330 -51.697 30.601 0.00 0.00 WAT1 ATOM 2925 H2 TIP3 315 3.829 -53.109 30.386 0.00 0.00 WAT1 ATOM 2926 OH2 TIP3 316 12.009 -52.426 29.420 0.00 0.00 WAT1 ATOM 2927 H1 TIP3 316 12.655 -52.755 30.045 0.00 0.00 WAT1 ATOM 2928 H2 TIP3 316 12.519 -51.908 28.797 0.00 0.00 WAT1 ATOM 2929 OH2 TIP3 317 0.907 -50.160 31.781 0.00 0.00 WAT1 ATOM 2930 H1 TIP3 317 1.561 -50.710 32.213 0.00 0.00 WAT1 ATOM 2931 H2 TIP3 317 0.931 -50.434 30.865 0.00 0.00 WAT1 ATOM 2932 OH2 TIP3 318 2.691 -51.747 33.046 0.00 0.00 WAT1 ATOM 2933 H1 TIP3 318 3.304 -51.114 33.419 0.00 0.00 WAT1 ATOM 2934 H2 TIP3 318 3.203 -52.219 32.389 0.00 0.00 WAT1 ATOM 2935 OH2 TIP3 319 4.074 -43.999 36.168 0.00 0.00 WAT1 ATOM 2936 H1 TIP3 319 4.068 -43.120 35.790 0.00 0.00 WAT1 ATOM 2937 H2 TIP3 319 3.220 -44.082 36.593 0.00 0.00 WAT1 ATOM 2938 OH2 TIP3 320 0.195 -44.328 26.950 0.00 0.00 WAT1 ATOM 2939 H1 TIP3 320 -0.077 -44.099 26.061 0.00 0.00 WAT1 ATOM 2940 H2 TIP3 320 0.240 -43.490 27.410 0.00 0.00 WAT1 ATOM 2941 OH2 TIP3 321 9.444 -49.038 24.085 0.00 0.00 WAT1 ATOM 2942 H1 TIP3 321 10.145 -49.016 24.736 0.00 0.00 WAT1 ATOM 2943 H2 TIP3 321 9.746 -49.666 23.429 0.00 0.00 WAT1 ATOM 2944 OH2 TIP3 322 16.759 -48.118 35.340 0.00 0.00 WAT1 ATOM 2945 H1 TIP3 322 16.107 -47.423 35.429 0.00 0.00 WAT1 ATOM 2946 H2 TIP3 322 17.224 -47.908 34.530 0.00 0.00 WAT1 ATOM 2947 OH2 TIP3 323 12.693 -49.112 37.066 0.00 0.00 WAT1 ATOM 2948 H1 TIP3 323 12.773 -48.349 37.638 0.00 0.00 WAT1 ATOM 2949 H2 TIP3 323 12.092 -48.833 36.375 0.00 0.00 WAT1 ATOM 2950 OH2 TIP3 324 5.688 -43.488 38.231 0.00 0.00 WAT1 ATOM 2951 H1 TIP3 324 5.376 -42.706 38.687 0.00 0.00 WAT1 ATOM 2952 H2 TIP3 324 5.038 -43.641 37.545 0.00 0.00 WAT1 ATOM 2953 OH2 TIP3 325 11.667 -48.124 25.683 0.00 0.00 WAT1 ATOM 2954 H1 TIP3 325 12.246 -47.974 26.430 0.00 0.00 WAT1 ATOM 2955 H2 TIP3 325 12.081 -47.653 24.960 0.00 0.00 WAT1 ATOM 2956 OH2 TIP3 326 2.608 -47.290 37.460 0.00 0.00 WAT1 ATOM 2957 H1 TIP3 326 2.678 -46.639 38.158 0.00 0.00 WAT1 ATOM 2958 H2 TIP3 326 1.717 -47.187 37.125 0.00 0.00 WAT1 ATOM 2959 OH2 TIP3 327 3.431 -47.586 27.470 0.00 0.00 WAT1 ATOM 2960 H1 TIP3 327 3.139 -46.818 26.979 0.00 0.00 WAT1 ATOM 2961 H2 TIP3 327 2.757 -48.246 27.307 0.00 0.00 WAT1 ATOM 2962 OH2 TIP3 328 -0.476 -45.223 36.285 0.00 0.00 WAT1 ATOM 2963 H1 TIP3 328 -0.977 -45.251 35.470 0.00 0.00 WAT1 ATOM 2964 H2 TIP3 328 -0.470 -46.129 36.595 0.00 0.00 WAT1 ATOM 2965 OH2 TIP3 329 -0.725 -42.443 33.169 0.00 0.00 WAT1 ATOM 2966 H1 TIP3 329 0.221 -42.587 33.150 0.00 0.00 WAT1 ATOM 2967 H2 TIP3 329 -0.838 -41.659 33.706 0.00 0.00 WAT1 ATOM 2968 OH2 TIP3 330 14.624 -50.284 39.331 0.00 0.00 WAT1 ATOM 2969 H1 TIP3 330 14.217 -49.803 38.611 0.00 0.00 WAT1 ATOM 2970 H2 TIP3 330 14.665 -51.189 39.024 0.00 0.00 WAT1 ATOM 2971 OH2 TIP3 331 1.773 -43.900 37.328 0.00 0.00 WAT1 ATOM 2972 H1 TIP3 331 1.990 -44.261 38.188 0.00 0.00 WAT1 ATOM 2973 H2 TIP3 331 0.918 -44.274 37.118 0.00 0.00 WAT1 ATOM 2974 OH2 TIP3 332 4.483 -50.464 34.419 0.00 0.00 WAT1 ATOM 2975 H1 TIP3 332 3.841 -50.505 35.128 0.00 0.00 WAT1 ATOM 2976 H2 TIP3 332 4.520 -49.538 34.181 0.00 0.00 WAT1 ATOM 2977 OH2 TIP3 333 4.480 -50.243 29.331 0.00 0.00 WAT1 ATOM 2978 H1 TIP3 333 3.587 -50.584 29.272 0.00 0.00 WAT1 ATOM 2979 H2 TIP3 333 4.931 -50.620 28.575 0.00 0.00 WAT1 ATOM 2980 OH2 TIP3 334 10.016 -49.827 28.148 0.00 0.00 WAT1 ATOM 2981 H1 TIP3 334 9.607 -49.012 27.856 0.00 0.00 WAT1 ATOM 2982 H2 TIP3 334 10.736 -49.967 27.533 0.00 0.00 WAT1 ATOM 2983 OH2 TIP3 335 11.020 -50.381 30.962 0.00 0.00 WAT1 ATOM 2984 H1 TIP3 335 10.825 -49.776 30.247 0.00 0.00 WAT1 ATOM 2985 H2 TIP3 335 11.202 -51.215 30.527 0.00 0.00 WAT1 ATOM 2986 OH2 TIP3 336 2.233 -50.144 36.286 0.00 0.00 WAT1 ATOM 2987 H1 TIP3 336 2.195 -49.744 37.154 0.00 0.00 WAT1 ATOM 2988 H2 TIP3 336 1.742 -50.961 36.376 0.00 0.00 WAT1 ATOM 2989 OH2 TIP3 337 10.284 -48.743 35.633 0.00 0.00 WAT1 ATOM 2990 H1 TIP3 337 10.608 -49.374 34.990 0.00 0.00 WAT1 ATOM 2991 H2 TIP3 337 9.844 -49.278 36.294 0.00 0.00 WAT1 ATOM 2992 OH2 TIP3 338 7.062 -52.816 30.417 0.00 0.00 WAT1 ATOM 2993 H1 TIP3 338 6.151 -52.759 30.706 0.00 0.00 WAT1 ATOM 2994 H2 TIP3 338 7.567 -52.876 31.228 0.00 0.00 WAT1 ATOM 2995 OH2 TIP3 339 1.890 -51.187 29.244 0.00 0.00 WAT1 ATOM 2996 H1 TIP3 339 1.001 -51.087 28.904 0.00 0.00 WAT1 ATOM 2997 H2 TIP3 339 2.186 -52.029 28.898 0.00 0.00 WAT1 ATOM 2998 OH2 TIP3 340 5.543 -51.187 26.900 0.00 0.00 WAT1 ATOM 2999 H1 TIP3 340 6.475 -51.058 27.078 0.00 0.00 WAT1 ATOM 3000 H2 TIP3 340 5.328 -50.517 26.251 0.00 0.00 WAT1 ATOM 3001 OH2 TIP3 341 4.217 -49.992 24.467 0.00 0.00 WAT1 ATOM 3002 H1 TIP3 341 3.675 -50.372 23.776 0.00 0.00 WAT1 ATOM 3003 H2 TIP3 341 5.051 -49.798 24.038 0.00 0.00 WAT1 ATOM 3004 OH2 TIP3 342 2.352 -45.435 39.566 0.00 0.00 WAT1 ATOM 3005 H1 TIP3 342 3.085 -45.181 40.127 0.00 0.00 WAT1 ATOM 3006 H2 TIP3 342 1.572 -45.231 40.081 0.00 0.00 WAT1 ATOM 3007 OH2 TIP3 343 8.382 -50.028 32.304 0.00 0.00 WAT1 ATOM 3008 H1 TIP3 343 8.946 -50.575 31.757 0.00 0.00 WAT1 ATOM 3009 H2 TIP3 343 8.234 -50.550 33.093 0.00 0.00 WAT1 ATOM 3010 OH2 TIP3 344 7.008 -51.640 34.718 0.00 0.00 WAT1 ATOM 3011 H1 TIP3 344 6.173 -51.186 34.828 0.00 0.00 WAT1 ATOM 3012 H2 TIP3 344 7.532 -51.364 35.470 0.00 0.00 WAT1 ATOM 3013 OH2 TIP3 345 11.450 -52.613 24.602 0.00 0.00 WAT1 ATOM 3014 H1 TIP3 345 10.512 -52.501 24.451 0.00 0.00 WAT1 ATOM 3015 H2 TIP3 345 11.747 -51.756 24.908 0.00 0.00 WAT1 ATOM 3016 OH2 TIP3 346 9.072 -45.243 37.640 0.00 0.00 WAT1 ATOM 3017 H1 TIP3 346 8.726 -45.624 38.446 0.00 0.00 WAT1 ATOM 3018 H2 TIP3 346 8.872 -44.309 37.711 0.00 0.00 WAT1 ATOM 3019 OH2 TIP3 347 12.168 -50.746 26.263 0.00 0.00 WAT1 ATOM 3020 H1 TIP3 347 13.060 -50.883 26.582 0.00 0.00 WAT1 ATOM 3021 H2 TIP3 347 12.225 -49.955 25.726 0.00 0.00 WAT1 ATOM 3022 OH2 TIP3 348 -0.315 -47.671 37.487 0.00 0.00 WAT1 ATOM 3023 H1 TIP3 348 -0.092 -48.089 38.319 0.00 0.00 WAT1 ATOM 3024 H2 TIP3 348 -0.917 -48.284 37.065 0.00 0.00 WAT1 ATOM 3025 OH2 TIP3 349 17.053 -50.536 25.957 0.00 0.00 WAT1 ATOM 3026 H1 TIP3 349 16.499 -50.932 25.285 0.00 0.00 WAT1 ATOM 3027 H2 TIP3 349 17.154 -49.626 25.680 0.00 0.00 WAT1 ATOM 3028 OH2 TIP3 350 12.509 -46.942 33.444 0.00 0.00 WAT1 ATOM 3029 H1 TIP3 350 11.581 -47.174 33.417 0.00 0.00 WAT1 ATOM 3030 H2 TIP3 350 12.960 -47.719 33.114 0.00 0.00 WAT1 ATOM 3031 OH2 TIP3 351 0.807 -47.752 24.164 0.00 0.00 WAT1 ATOM 3032 H1 TIP3 351 1.423 -47.125 24.543 0.00 0.00 WAT1 ATOM 3033 H2 TIP3 351 -0.055 -47.436 24.435 0.00 0.00 WAT1 ATOM 3034 OH2 TIP3 352 10.538 -44.703 35.169 0.00 0.00 WAT1 ATOM 3035 H1 TIP3 352 10.112 -44.930 35.995 0.00 0.00 WAT1 ATOM 3036 H2 TIP3 352 11.119 -45.441 34.986 0.00 0.00 WAT1 ATOM 3037 OH2 TIP3 353 0.970 -41.113 35.480 0.00 0.00 WAT1 ATOM 3038 H1 TIP3 353 1.187 -42.045 35.449 0.00 0.00 WAT1 ATOM 3039 H2 TIP3 353 1.217 -40.839 36.364 0.00 0.00 WAT1 ATOM 3040 OH2 TIP3 354 5.769 -43.092 25.146 0.00 0.00 WAT1 ATOM 3041 H1 TIP3 354 5.916 -43.612 25.936 0.00 0.00 WAT1 ATOM 3042 H2 TIP3 354 5.766 -42.185 25.452 0.00 0.00 WAT1 ATOM 3043 OH2 TIP3 355 2.222 -45.839 25.656 0.00 0.00 WAT1 ATOM 3044 H1 TIP3 355 1.536 -45.487 26.223 0.00 0.00 WAT1 ATOM 3045 H2 TIP3 355 2.745 -45.076 25.410 0.00 0.00 WAT1 ATOM 3046 OH2 TIP3 356 10.838 -53.525 27.032 0.00 0.00 WAT1 ATOM 3047 H1 TIP3 356 11.058 -53.053 26.229 0.00 0.00 WAT1 ATOM 3048 H2 TIP3 356 11.396 -53.130 27.703 0.00 0.00 WAT1 ATOM 3049 OH2 TIP3 357 8.038 -51.797 27.867 0.00 0.00 WAT1 ATOM 3050 H1 TIP3 357 8.850 -51.293 27.913 0.00 0.00 WAT1 ATOM 3051 H2 TIP3 357 7.793 -51.942 28.781 0.00 0.00 WAT1 ATOM 3052 OH2 TIP3 358 13.380 -49.153 31.983 0.00 0.00 WAT1 ATOM 3053 H1 TIP3 358 12.583 -49.568 31.654 0.00 0.00 WAT1 ATOM 3054 H2 TIP3 358 13.825 -49.844 32.474 0.00 0.00 WAT1 ATOM 3055 OH2 TIP3 359 2.838 -43.225 24.553 0.00 0.00 WAT1 ATOM 3056 H1 TIP3 359 3.430 -42.526 24.829 0.00 0.00 WAT1 ATOM 3057 H2 TIP3 359 3.297 -43.658 23.834 0.00 0.00 WAT1 ATOM 3058 OH2 TIP3 360 0.088 -45.416 40.787 0.00 0.00 WAT1 ATOM 3059 H1 TIP3 360 0.232 -46.318 40.501 0.00 0.00 WAT1 ATOM 3060 H2 TIP3 360 -0.685 -45.130 40.299 0.00 0.00 WAT1 ATOM 3061 OH2 TIP3 361 4.429 -45.072 22.919 0.00 0.00 WAT1 ATOM 3062 H1 TIP3 361 4.493 -45.866 23.450 0.00 0.00 WAT1 ATOM 3063 H2 TIP3 361 5.082 -45.191 22.230 0.00 0.00 WAT1 ATOM 3064 OH2 TIP3 362 6.743 -45.446 40.220 0.00 0.00 WAT1 ATOM 3065 H1 TIP3 362 6.415 -45.175 39.362 0.00 0.00 WAT1 ATOM 3066 H2 TIP3 362 6.895 -46.387 40.132 0.00 0.00 WAT1 ATOM 3067 OH2 TIP3 363 0.920 -48.216 40.207 0.00 0.00 WAT1 ATOM 3068 H1 TIP3 363 1.328 -49.073 40.086 0.00 0.00 WAT1 ATOM 3069 H2 TIP3 363 0.660 -48.201 41.128 0.00 0.00 WAT1 ATOM 3070 OH2 TIP3 364 5.578 -47.100 25.225 0.00 0.00 WAT1 ATOM 3071 H1 TIP3 364 5.119 -47.584 25.911 0.00 0.00 WAT1 ATOM 3072 H2 TIP3 364 5.833 -47.768 24.589 0.00 0.00 WAT1 ATOM 3073 OH2 TIP3 365 4.867 -49.207 37.581 0.00 0.00 WAT1 ATOM 3074 H1 TIP3 365 4.249 -48.532 37.862 0.00 0.00 WAT1 ATOM 3075 H2 TIP3 365 5.211 -48.886 36.748 0.00 0.00 WAT1 ATOM 3076 OH2 TIP3 366 6.649 -48.857 23.488 0.00 0.00 WAT1 ATOM 3077 H1 TIP3 366 6.469 -49.011 22.560 0.00 0.00 WAT1 ATOM 3078 H2 TIP3 366 7.600 -48.749 23.532 0.00 0.00 WAT1 ATOM 3079 OH2 TIP3 367 9.887 -46.736 40.859 0.00 0.00 WAT1 ATOM 3080 H1 TIP3 367 10.840 -46.652 40.831 0.00 0.00 WAT1 ATOM 3081 H2 TIP3 367 9.727 -47.447 41.478 0.00 0.00 WAT1 ATOM 3082 OH2 TIP3 368 7.201 -48.043 36.396 0.00 0.00 WAT1 ATOM 3083 H1 TIP3 368 7.952 -48.199 35.823 0.00 0.00 WAT1 ATOM 3084 H2 TIP3 368 6.862 -47.191 36.120 0.00 0.00 WAT1 ATOM 3085 OH2 TIP3 369 12.933 -47.439 39.502 0.00 0.00 WAT1 ATOM 3086 H1 TIP3 369 12.652 -46.730 38.924 0.00 0.00 WAT1 ATOM 3087 H2 TIP3 369 13.876 -47.512 39.351 0.00 0.00 WAT1 ATOM 3088 OH2 TIP3 370 15.197 -43.890 41.394 0.00 0.00 WAT1 ATOM 3089 H1 TIP3 370 14.331 -43.995 41.788 0.00 0.00 WAT1 ATOM 3090 H2 TIP3 370 15.573 -43.131 41.841 0.00 0.00 WAT1 ATOM 3091 OH2 TIP3 371 16.892 -47.580 28.732 0.00 0.00 WAT1 ATOM 3092 H1 TIP3 371 16.166 -48.059 29.130 0.00 0.00 WAT1 ATOM 3093 H2 TIP3 371 17.473 -47.374 29.464 0.00 0.00 WAT1 ATOM 3094 OH2 TIP3 372 15.509 -50.439 23.674 0.00 0.00 WAT1 ATOM 3095 H1 TIP3 372 15.606 -49.772 22.994 0.00 0.00 WAT1 ATOM 3096 H2 TIP3 372 15.369 -51.255 23.192 0.00 0.00 WAT1 ATOM 3097 OH2 TIP3 373 14.679 -49.059 29.295 0.00 0.00 WAT1 ATOM 3098 H1 TIP3 373 14.529 -50.004 29.275 0.00 0.00 WAT1 ATOM 3099 H2 TIP3 373 14.325 -48.778 30.139 0.00 0.00 WAT1 ATOM 3100 OH2 TIP3 374 -0.286 -46.981 33.305 0.00 0.00 WAT1 ATOM 3101 H1 TIP3 374 -0.102 -47.063 32.370 0.00 0.00 WAT1 ATOM 3102 H2 TIP3 374 0.563 -47.105 33.729 0.00 0.00 WAT1 ATOM 3103 OH2 TIP3 375 17.032 -49.186 39.618 0.00 0.00 WAT1 ATOM 3104 H1 TIP3 375 16.169 -49.565 39.453 0.00 0.00 WAT1 ATOM 3105 H2 TIP3 375 17.636 -49.925 39.544 0.00 0.00 WAT1 ATOM 3106 OH2 TIP3 376 14.389 -51.476 27.757 0.00 0.00 WAT1 ATOM 3107 H1 TIP3 376 14.669 -52.383 27.882 0.00 0.00 WAT1 ATOM 3108 H2 TIP3 376 15.148 -51.042 27.368 0.00 0.00 WAT1 ATOM 3109 OH2 TIP3 377 15.030 -50.158 35.969 0.00 0.00 WAT1 ATOM 3110 H1 TIP3 377 14.187 -49.890 36.335 0.00 0.00 WAT1 ATOM 3111 H2 TIP3 377 15.473 -49.336 35.758 0.00 0.00 WAT1 ATOM 3112 OH2 TIP3 378 -1.163 -50.399 33.406 0.00 0.00 WAT1 ATOM 3113 H1 TIP3 378 -0.671 -50.620 32.616 0.00 0.00 WAT1 ATOM 3114 H2 TIP3 378 -0.801 -49.558 33.687 0.00 0.00 WAT1 ATOM 3115 OH2 TIP3 379 10.419 -39.441 50.383 0.00 0.00 WAT1 ATOM 3116 H1 TIP3 379 11.039 -40.118 50.110 0.00 0.00 WAT1 ATOM 3117 H2 TIP3 379 10.211 -39.659 51.291 0.00 0.00 WAT1 ATOM 3118 OH2 TIP3 380 0.195 -44.328 45.806 0.00 0.00 WAT1 ATOM 3119 H1 TIP3 380 -0.077 -44.099 44.917 0.00 0.00 WAT1 ATOM 3120 H2 TIP3 380 0.240 -43.490 46.266 0.00 0.00 WAT1 ATOM 3121 OH2 TIP3 381 12.072 -40.925 49.144 0.00 0.00 WAT1 ATOM 3122 H1 TIP3 381 12.497 -41.632 48.659 0.00 0.00 WAT1 ATOM 3123 H2 TIP3 381 12.389 -40.124 48.727 0.00 0.00 WAT1 ATOM 3124 OH2 TIP3 382 13.231 -43.024 47.653 0.00 0.00 WAT1 ATOM 3125 H1 TIP3 382 12.974 -43.714 47.041 0.00 0.00 WAT1 ATOM 3126 H2 TIP3 382 13.302 -43.467 48.498 0.00 0.00 WAT1 ATOM 3127 OH2 TIP3 383 9.393 -41.387 47.974 0.00 0.00 WAT1 ATOM 3128 H1 TIP3 383 9.867 -41.092 48.752 0.00 0.00 WAT1 ATOM 3129 H2 TIP3 383 8.830 -40.649 47.741 0.00 0.00 WAT1 ATOM 3130 OH2 TIP3 384 2.519 -39.642 48.170 0.00 0.00 WAT1 ATOM 3131 H1 TIP3 384 2.671 -39.990 49.049 0.00 0.00 WAT1 ATOM 3132 H2 TIP3 384 1.668 -39.998 47.915 0.00 0.00 WAT1 ATOM 3133 OH2 TIP3 385 11.636 -39.351 46.141 0.00 0.00 WAT1 ATOM 3134 H1 TIP3 385 10.701 -39.251 46.320 0.00 0.00 WAT1 ATOM 3135 H2 TIP3 385 11.916 -40.060 46.719 0.00 0.00 WAT1 ATOM 3136 OH2 TIP3 386 13.144 -47.091 42.169 0.00 0.00 WAT1 ATOM 3137 H1 TIP3 386 13.186 -47.314 41.239 0.00 0.00 WAT1 ATOM 3138 H2 TIP3 386 13.993 -46.693 42.359 0.00 0.00 WAT1 ATOM 3139 OH2 TIP3 387 7.552 -45.427 45.259 0.00 0.00 WAT1 ATOM 3140 H1 TIP3 387 6.808 -45.934 44.936 0.00 0.00 WAT1 ATOM 3141 H2 TIP3 387 7.418 -45.378 46.205 0.00 0.00 WAT1 ATOM 3142 OH2 TIP3 388 9.678 -43.968 44.284 0.00 0.00 WAT1 ATOM 3143 H1 TIP3 388 9.383 -43.142 44.666 0.00 0.00 WAT1 ATOM 3144 H2 TIP3 388 8.975 -44.588 44.480 0.00 0.00 WAT1 ATOM 3145 OH2 TIP3 389 15.349 -41.750 45.278 0.00 0.00 WAT1 ATOM 3146 H1 TIP3 389 14.976 -42.576 45.588 0.00 0.00 WAT1 ATOM 3147 H2 TIP3 389 15.626 -41.933 44.381 0.00 0.00 WAT1 ATOM 3148 OH2 TIP3 390 5.052 -42.614 48.433 0.00 0.00 WAT1 ATOM 3149 H1 TIP3 390 5.579 -41.841 48.232 0.00 0.00 WAT1 ATOM 3150 H2 TIP3 390 4.172 -42.389 48.131 0.00 0.00 WAT1 ATOM 3151 OH2 TIP3 391 0.807 -47.752 43.020 0.00 0.00 WAT1 ATOM 3152 H1 TIP3 391 1.423 -47.125 43.399 0.00 0.00 WAT1 ATOM 3153 H2 TIP3 391 -0.055 -47.436 43.291 0.00 0.00 WAT1 ATOM 3154 OH2 TIP3 392 5.163 -39.929 47.554 0.00 0.00 WAT1 ATOM 3155 H1 TIP3 392 4.213 -39.824 47.606 0.00 0.00 WAT1 ATOM 3156 H2 TIP3 392 5.514 -39.109 47.899 0.00 0.00 WAT1 ATOM 3157 OH2 TIP3 393 12.741 -43.774 43.099 0.00 0.00 WAT1 ATOM 3158 H1 TIP3 393 13.094 -44.154 43.903 0.00 0.00 WAT1 ATOM 3159 H2 TIP3 393 11.792 -43.867 43.185 0.00 0.00 WAT1 ATOM 3160 OH2 TIP3 394 13.607 -45.101 45.325 0.00 0.00 WAT1 ATOM 3161 H1 TIP3 394 13.330 -45.829 45.881 0.00 0.00 WAT1 ATOM 3162 H2 TIP3 394 14.534 -44.982 45.531 0.00 0.00 WAT1 ATOM 3163 OH2 TIP3 395 5.769 -43.092 44.002 0.00 0.00 WAT1 ATOM 3164 H1 TIP3 395 5.916 -43.612 44.792 0.00 0.00 WAT1 ATOM 3165 H2 TIP3 395 5.766 -42.185 44.308 0.00 0.00 WAT1 ATOM 3166 OH2 TIP3 396 2.222 -45.839 44.512 0.00 0.00 WAT1 ATOM 3167 H1 TIP3 396 1.536 -45.487 45.079 0.00 0.00 WAT1 ATOM 3168 H2 TIP3 396 2.745 -45.076 44.266 0.00 0.00 WAT1 ATOM 3169 OH2 TIP3 397 8.507 -41.394 44.751 0.00 0.00 WAT1 ATOM 3170 H1 TIP3 397 7.690 -40.897 44.804 0.00 0.00 WAT1 ATOM 3171 H2 TIP3 397 9.036 -40.919 44.111 0.00 0.00 WAT1 ATOM 3172 OH2 TIP3 398 2.838 -43.225 43.409 0.00 0.00 WAT1 ATOM 3173 H1 TIP3 398 3.430 -42.526 43.685 0.00 0.00 WAT1 ATOM 3174 H2 TIP3 398 3.297 -43.658 42.690 0.00 0.00 WAT1 ATOM 3175 OH2 TIP3 399 0.892 -41.839 47.359 0.00 0.00 WAT1 ATOM 3176 H1 TIP3 399 0.060 -41.366 47.386 0.00 0.00 WAT1 ATOM 3177 H2 TIP3 399 1.438 -41.329 46.760 0.00 0.00 WAT1 ATOM 3178 OH2 TIP3 400 4.429 -45.072 41.775 0.00 0.00 WAT1 ATOM 3179 H1 TIP3 400 4.493 -45.866 42.306 0.00 0.00 WAT1 ATOM 3180 H2 TIP3 400 5.082 -45.191 41.086 0.00 0.00 WAT1 ATOM 3181 OH2 TIP3 401 9.781 -44.025 41.511 0.00 0.00 WAT1 ATOM 3182 H1 TIP3 401 9.513 -43.845 42.412 0.00 0.00 WAT1 ATOM 3183 H2 TIP3 401 9.575 -44.951 41.380 0.00 0.00 WAT1 ATOM 3184 OH2 TIP3 402 16.039 -46.502 41.789 0.00 0.00 WAT1 ATOM 3185 H1 TIP3 402 15.766 -46.927 40.976 0.00 0.00 WAT1 ATOM 3186 H2 TIP3 402 16.079 -45.571 41.572 0.00 0.00 WAT1 ATOM 3187 OH2 TIP3 403 0.115 -43.530 42.828 0.00 0.00 WAT1 ATOM 3188 H1 TIP3 403 1.029 -43.451 43.101 0.00 0.00 WAT1 ATOM 3189 H2 TIP3 403 0.122 -44.217 42.161 0.00 0.00 WAT1 ATOM 3190 OH2 TIP3 404 -1.236 -38.137 47.905 0.00 0.00 WAT1 ATOM 3191 H1 TIP3 404 -1.883 -38.599 47.372 0.00 0.00 WAT1 ATOM 3192 H2 TIP3 404 -0.881 -38.809 48.488 0.00 0.00 WAT1 ATOM 3193 OH2 TIP3 405 16.498 -45.633 45.764 0.00 0.00 WAT1 ATOM 3194 H1 TIP3 405 17.348 -45.212 45.892 0.00 0.00 WAT1 ATOM 3195 H2 TIP3 405 16.503 -46.373 46.372 0.00 0.00 WAT1 ATOM 3196 OH2 TIP3 406 13.921 -39.157 48.262 0.00 0.00 WAT1 ATOM 3197 H1 TIP3 406 14.574 -39.504 47.654 0.00 0.00 WAT1 ATOM 3198 H2 TIP3 406 14.432 -38.668 48.908 0.00 0.00 WAT1 ATOM 3199 OH2 TIP3 407 0.328 -40.150 45.193 0.00 0.00 WAT1 ATOM 3200 H1 TIP3 407 -0.357 -40.188 44.525 0.00 0.00 WAT1 ATOM 3201 H2 TIP3 407 0.331 -39.237 45.481 0.00 0.00 WAT1 ATOM 3202 OH2 TIP3 408 15.901 -39.377 46.270 0.00 0.00 WAT1 ATOM 3203 H1 TIP3 408 15.707 -40.125 45.705 0.00 0.00 WAT1 ATOM 3204 H2 TIP3 408 15.862 -38.619 45.686 0.00 0.00 WAT1 ATOM 3205 OH2 TIP3 409 10.419 -20.585 -6.185 0.00 0.00 WAT1 ATOM 3206 H1 TIP3 409 11.039 -21.262 -6.458 0.00 0.00 WAT1 ATOM 3207 H2 TIP3 409 10.211 -20.803 -5.277 0.00 0.00 WAT1 ATOM 3208 OH2 TIP3 410 14.917 -25.602 -0.438 0.00 0.00 WAT1 ATOM 3209 H1 TIP3 410 15.057 -26.193 -1.177 0.00 0.00 WAT1 ATOM 3210 H2 TIP3 410 15.085 -24.729 -0.794 0.00 0.00 WAT1 ATOM 3211 OH2 TIP3 411 17.472 -22.921 1.139 0.00 0.00 WAT1 ATOM 3212 H1 TIP3 411 17.423 -23.876 1.102 0.00 0.00 WAT1 ATOM 3213 H2 TIP3 411 16.646 -22.653 1.541 0.00 0.00 WAT1 ATOM 3214 OH2 TIP3 412 8.451 -23.347 0.015 0.00 0.00 WAT1 ATOM 3215 H1 TIP3 412 8.538 -22.521 0.490 0.00 0.00 WAT1 ATOM 3216 H2 TIP3 412 7.587 -23.677 0.264 0.00 0.00 WAT1 ATOM 3217 OH2 TIP3 413 11.322 -23.925 -0.122 0.00 0.00 WAT1 ATOM 3218 H1 TIP3 413 10.421 -23.742 -0.390 0.00 0.00 WAT1 ATOM 3219 H2 TIP3 413 11.356 -23.666 0.799 0.00 0.00 WAT1 ATOM 3220 OH2 TIP3 414 17.017 -25.880 1.082 0.00 0.00 WAT1 ATOM 3221 H1 TIP3 414 16.165 -25.642 0.715 0.00 0.00 WAT1 ATOM 3222 H2 TIP3 414 17.607 -25.897 0.329 0.00 0.00 WAT1 ATOM 3223 OH2 TIP3 415 13.197 -21.295 -0.074 0.00 0.00 WAT1 ATOM 3224 H1 TIP3 415 12.595 -21.850 -0.569 0.00 0.00 WAT1 ATOM 3225 H2 TIP3 415 13.478 -20.628 -0.700 0.00 0.00 WAT1 ATOM 3226 OH2 TIP3 416 14.467 -21.041 -4.107 0.00 0.00 WAT1 ATOM 3227 H1 TIP3 416 14.311 -20.363 -4.764 0.00 0.00 WAT1 ATOM 3228 H2 TIP3 416 15.399 -20.969 -3.904 0.00 0.00 WAT1 ATOM 3229 OH2 TIP3 417 4.778 -21.451 3.741 0.00 0.00 WAT1 ATOM 3230 H1 TIP3 417 5.546 -21.910 4.082 0.00 0.00 WAT1 ATOM 3231 H2 TIP3 417 4.757 -21.677 2.811 0.00 0.00 WAT1 ATOM 3232 OH2 TIP3 418 12.478 -26.674 -0.109 0.00 0.00 WAT1 ATOM 3233 H1 TIP3 418 13.223 -26.086 -0.229 0.00 0.00 WAT1 ATOM 3234 H2 TIP3 418 11.721 -26.092 -0.046 0.00 0.00 WAT1 ATOM 3235 OH2 TIP3 419 9.887 -27.880 3.147 0.00 0.00 WAT1 ATOM 3236 H1 TIP3 419 10.840 -27.796 3.119 0.00 0.00 WAT1 ATOM 3237 H2 TIP3 419 9.727 -28.591 3.766 0.00 0.00 WAT1 ATOM 3238 OH2 TIP3 420 12.933 -28.583 1.790 0.00 0.00 WAT1 ATOM 3239 H1 TIP3 420 12.652 -27.874 1.212 0.00 0.00 WAT1 ATOM 3240 H2 TIP3 420 13.876 -28.656 1.639 0.00 0.00 WAT1 ATOM 3241 OH2 TIP3 421 17.183 -20.391 -3.878 0.00 0.00 WAT1 ATOM 3242 H1 TIP3 421 17.161 -20.206 -2.939 0.00 0.00 WAT1 ATOM 3243 H2 TIP3 421 17.873 -19.822 -4.219 0.00 0.00 WAT1 ATOM 3244 OH2 TIP3 422 16.746 -20.824 -0.956 0.00 0.00 WAT1 ATOM 3245 H1 TIP3 422 16.259 -21.559 -1.327 0.00 0.00 WAT1 ATOM 3246 H2 TIP3 422 17.295 -21.217 -0.278 0.00 0.00 WAT1 ATOM 3247 OH2 TIP3 423 15.138 -23.061 -1.725 0.00 0.00 WAT1 ATOM 3248 H1 TIP3 423 14.490 -22.736 -1.100 0.00 0.00 WAT1 ATOM 3249 H2 TIP3 423 14.620 -23.501 -2.400 0.00 0.00 WAT1 ATOM 3250 OH2 TIP3 424 15.535 -28.233 1.222 0.00 0.00 WAT1 ATOM 3251 H1 TIP3 424 16.118 -28.967 1.413 0.00 0.00 WAT1 ATOM 3252 H2 TIP3 424 16.099 -27.461 1.268 0.00 0.00 WAT1 ATOM 3253 OH2 TIP3 425 8.571 -20.998 1.455 0.00 0.00 WAT1 ATOM 3254 H1 TIP3 425 8.756 -21.332 2.333 0.00 0.00 WAT1 ATOM 3255 H2 TIP3 425 9.418 -20.689 1.133 0.00 0.00 WAT1 ATOM 3256 OH2 TIP3 426 10.916 -19.713 0.699 0.00 0.00 WAT1 ATOM 3257 H1 TIP3 426 11.593 -20.345 0.459 0.00 0.00 WAT1 ATOM 3258 H2 TIP3 426 11.238 -19.311 1.507 0.00 0.00 WAT1 ATOM 3259 OH2 TIP3 427 8.840 -19.653 -3.251 0.00 0.00 WAT1 ATOM 3260 H1 TIP3 427 8.383 -19.124 -3.905 0.00 0.00 WAT1 ATOM 3261 H2 TIP3 427 9.003 -19.050 -2.526 0.00 0.00 WAT1 ATOM 3262 OH2 TIP3 428 11.167 -20.775 -2.306 0.00 0.00 WAT1 ATOM 3263 H1 TIP3 428 10.263 -20.610 -2.572 0.00 0.00 WAT1 ATOM 3264 H2 TIP3 428 11.596 -19.922 -2.372 0.00 0.00 WAT1 ATOM 3265 OH2 TIP3 429 13.772 -19.205 -2.011 0.00 0.00 WAT1 ATOM 3266 H1 TIP3 429 13.590 -18.289 -2.222 0.00 0.00 WAT1 ATOM 3267 H2 TIP3 429 13.948 -19.615 -2.858 0.00 0.00 WAT1 ATOM 3268 OH2 TIP3 430 15.119 -21.770 1.852 0.00 0.00 WAT1 ATOM 3269 H1 TIP3 430 14.337 -21.956 1.332 0.00 0.00 WAT1 ATOM 3270 H2 TIP3 430 15.047 -20.841 2.069 0.00 0.00 WAT1 ATOM 3271 OH2 TIP3 431 -0.496 -30.904 9.678 0.00 0.00 WAT1 ATOM 3272 H1 TIP3 431 -0.944 -30.058 9.660 0.00 0.00 WAT1 ATOM 3273 H2 TIP3 431 -1.057 -31.484 9.163 0.00 0.00 WAT1 ATOM 3274 OH2 TIP3 432 12.009 -33.570 10.564 0.00 0.00 WAT1 ATOM 3275 H1 TIP3 432 12.655 -33.899 11.189 0.00 0.00 WAT1 ATOM 3276 H2 TIP3 432 12.519 -33.052 9.941 0.00 0.00 WAT1 ATOM 3277 OH2 TIP3 433 0.195 -25.472 8.094 0.00 0.00 WAT1 ATOM 3278 H1 TIP3 433 -0.077 -25.243 7.205 0.00 0.00 WAT1 ATOM 3279 H2 TIP3 433 0.240 -24.634 8.554 0.00 0.00 WAT1 ATOM 3280 OH2 TIP3 434 9.390 -28.640 8.190 0.00 0.00 WAT1 ATOM 3281 H1 TIP3 434 8.678 -28.105 7.839 0.00 0.00 WAT1 ATOM 3282 H2 TIP3 434 10.081 -28.584 7.530 0.00 0.00 WAT1 ATOM 3283 OH2 TIP3 435 12.796 -28.430 9.142 0.00 0.00 WAT1 ATOM 3284 H1 TIP3 435 12.064 -28.202 9.715 0.00 0.00 WAT1 ATOM 3285 H2 TIP3 435 13.243 -29.144 9.597 0.00 0.00 WAT1 ATOM 3286 OH2 TIP3 436 11.667 -29.268 6.827 0.00 0.00 WAT1 ATOM 3287 H1 TIP3 436 12.246 -29.118 7.574 0.00 0.00 WAT1 ATOM 3288 H2 TIP3 436 12.081 -28.797 6.104 0.00 0.00 WAT1 ATOM 3289 OH2 TIP3 437 15.365 -37.518 6.640 0.00 0.00 WAT1 ATOM 3290 H1 TIP3 437 14.466 -37.379 6.935 0.00 0.00 WAT1 ATOM 3291 H2 TIP3 437 15.617 -36.687 6.238 0.00 0.00 WAT1 ATOM 3292 OH2 TIP3 438 2.519 -20.786 10.458 0.00 0.00 WAT1 ATOM 3293 H1 TIP3 438 2.671 -21.134 11.337 0.00 0.00 WAT1 ATOM 3294 H2 TIP3 438 1.668 -21.142 10.203 0.00 0.00 WAT1 ATOM 3295 OH2 TIP3 439 13.144 -28.235 4.457 0.00 0.00 WAT1 ATOM 3296 H1 TIP3 439 13.186 -28.458 3.527 0.00 0.00 WAT1 ATOM 3297 H2 TIP3 439 13.993 -27.837 4.647 0.00 0.00 WAT1 ATOM 3298 OH2 TIP3 440 10.016 -30.971 9.292 0.00 0.00 WAT1 ATOM 3299 H1 TIP3 440 9.607 -30.156 9.000 0.00 0.00 WAT1 ATOM 3300 H2 TIP3 440 10.736 -31.111 8.677 0.00 0.00 WAT1 ATOM 3301 OH2 TIP3 441 -1.159 -34.172 11.280 0.00 0.00 WAT1 ATOM 3302 H1 TIP3 441 -0.528 -34.201 12.000 0.00 0.00 WAT1 ATOM 3303 H2 TIP3 441 -0.709 -34.597 10.550 0.00 0.00 WAT1 ATOM 3304 OH2 TIP3 442 0.116 -33.426 6.704 0.00 0.00 WAT1 ATOM 3305 H1 TIP3 442 0.590 -32.835 6.119 0.00 0.00 WAT1 ATOM 3306 H2 TIP3 442 -0.602 -32.895 7.051 0.00 0.00 WAT1 ATOM 3307 OH2 TIP3 443 5.543 -32.331 8.044 0.00 0.00 WAT1 ATOM 3308 H1 TIP3 443 6.475 -32.202 8.222 0.00 0.00 WAT1 ATOM 3309 H2 TIP3 443 5.328 -31.661 7.395 0.00 0.00 WAT1 ATOM 3310 OH2 TIP3 444 4.217 -31.136 5.611 0.00 0.00 WAT1 ATOM 3311 H1 TIP3 444 3.675 -31.516 4.920 0.00 0.00 WAT1 ATOM 3312 H2 TIP3 444 5.051 -30.942 5.182 0.00 0.00 WAT1 ATOM 3313 OH2 TIP3 445 3.384 -35.036 9.866 0.00 0.00 WAT1 ATOM 3314 H1 TIP3 445 3.067 -35.938 9.831 0.00 0.00 WAT1 ATOM 3315 H2 TIP3 445 4.165 -35.034 9.314 0.00 0.00 WAT1 ATOM 3316 OH2 TIP3 446 7.552 -26.571 7.547 0.00 0.00 WAT1 ATOM 3317 H1 TIP3 446 6.808 -27.078 7.224 0.00 0.00 WAT1 ATOM 3318 H2 TIP3 446 7.418 -26.522 8.493 0.00 0.00 WAT1 ATOM 3319 OH2 TIP3 447 12.168 -31.890 7.407 0.00 0.00 WAT1 ATOM 3320 H1 TIP3 447 13.060 -32.027 7.726 0.00 0.00 WAT1 ATOM 3321 H2 TIP3 447 12.225 -31.099 6.870 0.00 0.00 WAT1 ATOM 3322 OH2 TIP3 448 9.678 -25.112 6.572 0.00 0.00 WAT1 ATOM 3323 H1 TIP3 448 9.383 -24.286 6.954 0.00 0.00 WAT1 ATOM 3324 H2 TIP3 448 8.975 -25.732 6.768 0.00 0.00 WAT1 ATOM 3325 OH2 TIP3 449 17.053 -31.680 7.101 0.00 0.00 WAT1 ATOM 3326 H1 TIP3 449 16.499 -32.076 6.429 0.00 0.00 WAT1 ATOM 3327 H2 TIP3 449 17.154 -30.770 6.824 0.00 0.00 WAT1 ATOM 3328 OH2 TIP3 450 5.052 -23.758 10.721 0.00 0.00 WAT1 ATOM 3329 H1 TIP3 450 5.579 -22.985 10.520 0.00 0.00 WAT1 ATOM 3330 H2 TIP3 450 4.172 -23.533 10.419 0.00 0.00 WAT1 ATOM 3331 OH2 TIP3 451 0.807 -28.896 5.308 0.00 0.00 WAT1 ATOM 3332 H1 TIP3 451 1.423 -28.269 5.687 0.00 0.00 WAT1 ATOM 3333 H2 TIP3 451 -0.055 -28.580 5.579 0.00 0.00 WAT1 ATOM 3334 OH2 TIP3 452 6.479 -26.095 10.297 0.00 0.00 WAT1 ATOM 3335 H1 TIP3 452 6.238 -25.170 10.339 0.00 0.00 WAT1 ATOM 3336 H2 TIP3 452 5.739 -26.554 10.693 0.00 0.00 WAT1 ATOM 3337 OH2 TIP3 453 5.163 -21.073 9.842 0.00 0.00 WAT1 ATOM 3338 H1 TIP3 453 4.213 -20.968 9.894 0.00 0.00 WAT1 ATOM 3339 H2 TIP3 453 5.514 -20.253 10.187 0.00 0.00 WAT1 ATOM 3340 OH2 TIP3 454 17.245 -20.438 5.588 0.00 0.00 WAT1 ATOM 3341 H1 TIP3 454 17.988 -19.852 5.448 0.00 0.00 WAT1 ATOM 3342 H2 TIP3 454 16.550 -19.870 5.921 0.00 0.00 WAT1 ATOM 3343 OH2 TIP3 455 6.832 -23.806 3.834 0.00 0.00 WAT1 ATOM 3344 H1 TIP3 455 7.071 -24.554 3.286 0.00 0.00 WAT1 ATOM 3345 H2 TIP3 455 6.563 -24.194 4.666 0.00 0.00 WAT1 ATOM 3346 OH2 TIP3 456 5.769 -24.236 6.290 0.00 0.00 WAT1 ATOM 3347 H1 TIP3 456 5.916 -24.756 7.080 0.00 0.00 WAT1 ATOM 3348 H2 TIP3 456 5.766 -23.329 6.596 0.00 0.00 WAT1 ATOM 3349 OH2 TIP3 457 2.222 -26.983 6.800 0.00 0.00 WAT1 ATOM 3350 H1 TIP3 457 1.536 -26.631 7.367 0.00 0.00 WAT1 ATOM 3351 H2 TIP3 457 2.745 -26.220 6.554 0.00 0.00 WAT1 ATOM 3352 OH2 TIP3 458 10.838 -34.669 8.176 0.00 0.00 WAT1 ATOM 3353 H1 TIP3 458 11.058 -34.197 7.373 0.00 0.00 WAT1 ATOM 3354 H2 TIP3 458 11.396 -34.274 8.847 0.00 0.00 WAT1 ATOM 3355 OH2 TIP3 459 8.038 -32.941 9.011 0.00 0.00 WAT1 ATOM 3356 H1 TIP3 459 8.850 -32.437 9.057 0.00 0.00 WAT1 ATOM 3357 H2 TIP3 459 7.793 -33.086 9.925 0.00 0.00 WAT1 ATOM 3358 OH2 TIP3 460 8.922 -35.860 9.949 0.00 0.00 WAT1 ATOM 3359 H1 TIP3 460 8.575 -35.242 10.594 0.00 0.00 WAT1 ATOM 3360 H2 TIP3 460 9.580 -35.359 9.468 0.00 0.00 WAT1 ATOM 3361 OH2 TIP3 461 5.845 -21.495 7.021 0.00 0.00 WAT1 ATOM 3362 H1 TIP3 461 6.006 -20.695 6.520 0.00 0.00 WAT1 ATOM 3363 H2 TIP3 461 5.648 -21.188 7.906 0.00 0.00 WAT1 ATOM 3364 OH2 TIP3 462 4.579 -34.797 6.637 0.00 0.00 WAT1 ATOM 3365 H1 TIP3 462 4.496 -33.908 6.983 0.00 0.00 WAT1 ATOM 3366 H2 TIP3 462 5.469 -35.062 6.868 0.00 0.00 WAT1 ATOM 3367 OH2 TIP3 463 2.838 -24.369 5.697 0.00 0.00 WAT1 ATOM 3368 H1 TIP3 463 3.430 -23.670 5.973 0.00 0.00 WAT1 ATOM 3369 H2 TIP3 463 3.297 -24.802 4.978 0.00 0.00 WAT1 ATOM 3370 OH2 TIP3 464 1.154 -31.705 4.813 0.00 0.00 WAT1 ATOM 3371 H1 TIP3 464 1.109 -30.766 4.992 0.00 0.00 WAT1 ATOM 3372 H2 TIP3 464 0.266 -31.941 4.543 0.00 0.00 WAT1 ATOM 3373 OH2 TIP3 465 0.892 -22.983 9.647 0.00 0.00 WAT1 ATOM 3374 H1 TIP3 465 0.060 -22.510 9.674 0.00 0.00 WAT1 ATOM 3375 H2 TIP3 465 1.438 -22.473 9.048 0.00 0.00 WAT1 ATOM 3376 OH2 TIP3 466 4.429 -26.216 4.063 0.00 0.00 WAT1 ATOM 3377 H1 TIP3 466 4.493 -27.010 4.594 0.00 0.00 WAT1 ATOM 3378 H2 TIP3 466 5.082 -26.335 3.374 0.00 0.00 WAT1 ATOM 3379 OH2 TIP3 467 9.781 -25.169 3.799 0.00 0.00 WAT1 ATOM 3380 H1 TIP3 467 9.513 -24.989 4.700 0.00 0.00 WAT1 ATOM 3381 H2 TIP3 467 9.575 -26.095 3.668 0.00 0.00 WAT1 ATOM 3382 OH2 TIP3 468 5.578 -28.244 6.369 0.00 0.00 WAT1 ATOM 3383 H1 TIP3 468 5.119 -28.728 7.055 0.00 0.00 WAT1 ATOM 3384 H2 TIP3 468 5.833 -28.912 5.733 0.00 0.00 WAT1 ATOM 3385 OH2 TIP3 469 6.649 -30.001 4.632 0.00 0.00 WAT1 ATOM 3386 H1 TIP3 469 6.469 -30.155 3.704 0.00 0.00 WAT1 ATOM 3387 H2 TIP3 469 7.600 -29.893 4.676 0.00 0.00 WAT1 ATOM 3388 OH2 TIP3 470 16.039 -27.646 4.077 0.00 0.00 WAT1 ATOM 3389 H1 TIP3 470 15.766 -28.071 3.264 0.00 0.00 WAT1 ATOM 3390 H2 TIP3 470 16.079 -26.715 3.860 0.00 0.00 WAT1 ATOM 3391 OH2 TIP3 471 6.547 -19.310 5.633 0.00 0.00 WAT1 ATOM 3392 H1 TIP3 471 7.480 -19.152 5.777 0.00 0.00 WAT1 ATOM 3393 H2 TIP3 471 6.283 -18.635 5.008 0.00 0.00 WAT1 ATOM 3394 OH2 TIP3 472 0.115 -24.674 5.116 0.00 0.00 WAT1 ATOM 3395 H1 TIP3 472 1.029 -24.595 5.389 0.00 0.00 WAT1 ATOM 3396 H2 TIP3 472 0.122 -25.361 4.449 0.00 0.00 WAT1 ATOM 3397 OH2 TIP3 473 -0.366 -21.200 11.998 0.00 0.00 WAT1 ATOM 3398 H1 TIP3 473 -0.700 -22.081 12.170 0.00 0.00 WAT1 ATOM 3399 H2 TIP3 473 -0.144 -20.855 12.862 0.00 0.00 WAT1 ATOM 3400 OH2 TIP3 474 16.498 -26.777 8.052 0.00 0.00 WAT1 ATOM 3401 H1 TIP3 474 17.348 -26.356 8.180 0.00 0.00 WAT1 ATOM 3402 H2 TIP3 474 16.503 -27.517 8.660 0.00 0.00 WAT1 ATOM 3403 OH2 TIP3 475 16.892 -28.724 9.876 0.00 0.00 WAT1 ATOM 3404 H1 TIP3 475 16.166 -29.203 10.274 0.00 0.00 WAT1 ATOM 3405 H2 TIP3 475 17.473 -28.518 10.608 0.00 0.00 WAT1 ATOM 3406 OH2 TIP3 476 17.160 -28.823 6.267 0.00 0.00 WAT1 ATOM 3407 H1 TIP3 476 16.639 -28.466 5.548 0.00 0.00 WAT1 ATOM 3408 H2 TIP3 476 17.127 -28.148 6.945 0.00 0.00 WAT1 ATOM 3409 OH2 TIP3 477 14.679 -30.203 10.439 0.00 0.00 WAT1 ATOM 3410 H1 TIP3 477 14.529 -31.148 10.419 0.00 0.00 WAT1 ATOM 3411 H2 TIP3 477 14.325 -29.922 11.283 0.00 0.00 WAT1 ATOM 3412 OH2 TIP3 478 14.389 -32.620 8.901 0.00 0.00 WAT1 ATOM 3413 H1 TIP3 478 14.669 -33.527 9.026 0.00 0.00 WAT1 ATOM 3414 H2 TIP3 478 15.148 -32.186 8.512 0.00 0.00 WAT1 ATOM 3415 OH2 TIP3 479 15.003 -35.357 8.950 0.00 0.00 WAT1 ATOM 3416 H1 TIP3 479 15.185 -35.806 9.775 0.00 0.00 WAT1 ATOM 3417 H2 TIP3 479 14.403 -35.942 8.486 0.00 0.00 WAT1 ATOM 3418 OH2 TIP3 480 0.533 -34.542 13.481 0.00 0.00 WAT1 ATOM 3419 H1 TIP3 480 0.978 -35.334 13.783 0.00 0.00 WAT1 ATOM 3420 H2 TIP3 480 0.999 -33.826 13.912 0.00 0.00 WAT1 ATOM 3421 OH2 TIP3 481 -0.850 -35.285 8.605 0.00 0.00 WAT1 ATOM 3422 H1 TIP3 481 -1.775 -35.076 8.475 0.00 0.00 WAT1 ATOM 3423 H2 TIP3 481 -0.396 -34.801 7.915 0.00 0.00 WAT1 ATOM 3424 OH2 TIP3 482 1.662 -19.141 17.399 0.00 0.00 WAT1 ATOM 3425 H1 TIP3 482 0.942 -18.701 16.948 0.00 0.00 WAT1 ATOM 3426 H2 TIP3 482 1.296 -19.392 18.248 0.00 0.00 WAT1 ATOM 3427 OH2 TIP3 483 4.129 -19.541 16.429 0.00 0.00 WAT1 ATOM 3428 H1 TIP3 483 3.264 -19.469 16.833 0.00 0.00 WAT1 ATOM 3429 H2 TIP3 483 4.074 -18.994 15.645 0.00 0.00 WAT1 ATOM 3430 OH2 TIP3 484 1.077 -20.518 14.310 0.00 0.00 WAT1 ATOM 3431 H1 TIP3 484 1.058 -20.943 15.167 0.00 0.00 WAT1 ATOM 3432 H2 TIP3 484 1.882 -20.836 13.901 0.00 0.00 WAT1 ATOM 3433 OH2 TIP3 485 3.218 -21.808 12.965 0.00 0.00 WAT1 ATOM 3434 H1 TIP3 485 2.999 -22.724 13.134 0.00 0.00 WAT1 ATOM 3435 H2 TIP3 485 4.042 -21.668 13.431 0.00 0.00 WAT1 ATOM 3436 OH2 TIP3 486 1.590 -37.040 10.780 0.00 0.00 WAT1 ATOM 3437 H1 TIP3 486 0.813 -37.274 10.272 0.00 0.00 WAT1 ATOM 3438 H2 TIP3 486 2.121 -37.837 10.788 0.00 0.00 WAT1 ATOM 3439 OH2 TIP3 487 6.170 -37.113 10.593 0.00 0.00 WAT1 ATOM 3440 H1 TIP3 487 7.044 -36.725 10.563 0.00 0.00 WAT1 ATOM 3441 H2 TIP3 487 6.034 -37.328 11.516 0.00 0.00 WAT1 ATOM 3442 OH2 TIP3 488 11.727 -37.083 12.242 0.00 0.00 WAT1 ATOM 3443 H1 TIP3 488 11.803 -36.988 11.293 0.00 0.00 WAT1 ATOM 3444 H2 TIP3 488 11.451 -37.991 12.371 0.00 0.00 WAT1 ATOM 3445 OH2 TIP3 489 13.080 -37.057 7.935 0.00 0.00 WAT1 ATOM 3446 H1 TIP3 489 12.377 -36.443 7.725 0.00 0.00 WAT1 ATOM 3447 H2 TIP3 489 12.635 -37.895 8.066 0.00 0.00 WAT1 ATOM 3448 OH2 TIP3 490 7.314 -35.033 7.483 0.00 0.00 WAT1 ATOM 3449 H1 TIP3 490 7.492 -35.679 8.166 0.00 0.00 WAT1 ATOM 3450 H2 TIP3 490 7.260 -34.199 7.950 0.00 0.00 WAT1 ATOM 3451 OH2 TIP3 491 14.917 -25.602 37.274 0.00 0.00 WAT1 ATOM 3452 H1 TIP3 491 15.057 -26.193 36.535 0.00 0.00 WAT1 ATOM 3453 H2 TIP3 491 15.085 -24.729 36.918 0.00 0.00 WAT1 ATOM 3454 OH2 TIP3 492 3.927 -22.560 38.995 0.00 0.00 WAT1 ATOM 3455 H1 TIP3 492 3.935 -22.696 38.047 0.00 0.00 WAT1 ATOM 3456 H2 TIP3 492 3.011 -22.678 39.247 0.00 0.00 WAT1 ATOM 3457 OH2 TIP3 493 17.472 -22.921 38.851 0.00 0.00 WAT1 ATOM 3458 H1 TIP3 493 17.423 -23.876 38.814 0.00 0.00 WAT1 ATOM 3459 H2 TIP3 493 16.646 -22.653 39.253 0.00 0.00 WAT1 ATOM 3460 OH2 TIP3 494 1.773 -25.044 37.328 0.00 0.00 WAT1 ATOM 3461 H1 TIP3 494 1.990 -25.405 38.188 0.00 0.00 WAT1 ATOM 3462 H2 TIP3 494 0.918 -25.418 37.118 0.00 0.00 WAT1 ATOM 3463 OH2 TIP3 495 14.754 -19.053 39.958 0.00 0.00 WAT1 ATOM 3464 H1 TIP3 495 14.954 -18.629 39.123 0.00 0.00 WAT1 ATOM 3465 H2 TIP3 495 15.410 -18.710 40.565 0.00 0.00 WAT1 ATOM 3466 OH2 TIP3 496 2.352 -26.579 39.566 0.00 0.00 WAT1 ATOM 3467 H1 TIP3 496 3.085 -26.325 40.127 0.00 0.00 WAT1 ATOM 3468 H2 TIP3 496 1.572 -26.375 40.081 0.00 0.00 WAT1 ATOM 3469 OH2 TIP3 497 17.017 -25.880 38.794 0.00 0.00 WAT1 ATOM 3470 H1 TIP3 497 16.165 -25.642 38.427 0.00 0.00 WAT1 ATOM 3471 H2 TIP3 497 17.607 -25.897 38.041 0.00 0.00 WAT1 ATOM 3472 OH2 TIP3 498 13.197 -21.295 37.638 0.00 0.00 WAT1 ATOM 3473 H1 TIP3 498 12.595 -21.850 37.143 0.00 0.00 WAT1 ATOM 3474 H2 TIP3 498 13.478 -20.628 37.012 0.00 0.00 WAT1 ATOM 3475 OH2 TIP3 499 0.181 -20.370 39.833 0.00 0.00 WAT1 ATOM 3476 H1 TIP3 499 0.721 -20.587 40.592 0.00 0.00 WAT1 ATOM 3477 H2 TIP3 499 -0.300 -21.176 39.643 0.00 0.00 WAT1 ATOM 3478 OH2 TIP3 500 4.778 -21.451 41.453 0.00 0.00 WAT1 ATOM 3479 H1 TIP3 500 5.546 -21.910 41.794 0.00 0.00 WAT1 ATOM 3480 H2 TIP3 500 4.757 -21.677 40.523 0.00 0.00 WAT1 ATOM 3481 OH2 TIP3 501 11.355 -23.071 40.182 0.00 0.00 WAT1 ATOM 3482 H1 TIP3 501 11.004 -23.927 40.425 0.00 0.00 WAT1 ATOM 3483 H2 TIP3 501 12.081 -22.928 40.789 0.00 0.00 WAT1 ATOM 3484 OH2 TIP3 502 0.088 -26.560 40.787 0.00 0.00 WAT1 ATOM 3485 H1 TIP3 502 0.232 -27.462 40.501 0.00 0.00 WAT1 ATOM 3486 H2 TIP3 502 -0.685 -26.274 40.299 0.00 0.00 WAT1 ATOM 3487 OH2 TIP3 503 0.920 -29.360 40.207 0.00 0.00 WAT1 ATOM 3488 H1 TIP3 503 1.328 -30.217 40.086 0.00 0.00 WAT1 ATOM 3489 H2 TIP3 503 0.660 -29.345 41.128 0.00 0.00 WAT1 ATOM 3490 OH2 TIP3 504 15.197 -25.034 41.394 0.00 0.00 WAT1 ATOM 3491 H1 TIP3 504 14.331 -25.139 41.788 0.00 0.00 WAT1 ATOM 3492 H2 TIP3 504 15.573 -24.275 41.841 0.00 0.00 WAT1 ATOM 3493 OH2 TIP3 505 15.138 -23.061 35.987 0.00 0.00 WAT1 ATOM 3494 H1 TIP3 505 14.490 -22.736 36.612 0.00 0.00 WAT1 ATOM 3495 H2 TIP3 505 14.620 -23.501 35.312 0.00 0.00 WAT1 ATOM 3496 OH2 TIP3 506 1.306 -23.372 39.949 0.00 0.00 WAT1 ATOM 3497 H1 TIP3 506 0.485 -23.197 39.489 0.00 0.00 WAT1 ATOM 3498 H2 TIP3 506 1.054 -23.445 40.870 0.00 0.00 WAT1 ATOM 3499 OH2 TIP3 507 4.260 -22.397 36.208 0.00 0.00 WAT1 ATOM 3500 H1 TIP3 507 3.835 -21.588 35.925 0.00 0.00 WAT1 ATOM 3501 H2 TIP3 507 5.165 -22.312 35.906 0.00 0.00 WAT1 ATOM 3502 OH2 TIP3 508 8.571 -20.998 39.167 0.00 0.00 WAT1 ATOM 3503 H1 TIP3 508 8.756 -21.332 40.045 0.00 0.00 WAT1 ATOM 3504 H2 TIP3 508 9.418 -20.689 38.845 0.00 0.00 WAT1 ATOM 3505 OH2 TIP3 509 10.916 -19.713 38.411 0.00 0.00 WAT1 ATOM 3506 H1 TIP3 509 11.593 -20.345 38.171 0.00 0.00 WAT1 ATOM 3507 H2 TIP3 509 11.238 -19.311 39.219 0.00 0.00 WAT1 ATOM 3508 OH2 TIP3 510 1.662 -19.141 36.255 0.00 0.00 WAT1 ATOM 3509 H1 TIP3 510 0.942 -18.701 35.804 0.00 0.00 WAT1 ATOM 3510 H2 TIP3 510 1.296 -19.392 37.104 0.00 0.00 WAT1 ATOM 3511 OH2 TIP3 511 15.119 -21.770 39.564 0.00 0.00 WAT1 ATOM 3512 H1 TIP3 511 14.337 -21.956 39.044 0.00 0.00 WAT1 ATOM 3513 H2 TIP3 511 15.047 -20.841 39.781 0.00 0.00 WAT1 ATOM 3514 OH2 TIP3 512 10.669 -27.884 48.450 0.00 0.00 WAT1 ATOM 3515 H1 TIP3 512 10.758 -26.940 48.318 0.00 0.00 WAT1 ATOM 3516 H2 TIP3 512 10.030 -28.159 47.792 0.00 0.00 WAT1 ATOM 3517 OH2 TIP3 513 9.602 -28.629 51.869 0.00 0.00 WAT1 ATOM 3518 H1 TIP3 513 9.564 -29.275 52.574 0.00 0.00 WAT1 ATOM 3519 H2 TIP3 513 9.279 -29.095 51.098 0.00 0.00 WAT1 ATOM 3520 OH2 TIP3 514 13.308 -25.690 50.171 0.00 0.00 WAT1 ATOM 3521 H1 TIP3 514 12.867 -26.410 50.621 0.00 0.00 WAT1 ATOM 3522 H2 TIP3 514 13.295 -24.969 50.801 0.00 0.00 WAT1 ATOM 3523 OH2 TIP3 515 16.654 -34.595 53.136 0.00 0.00 WAT1 ATOM 3524 H1 TIP3 515 16.703 -33.985 53.872 0.00 0.00 WAT1 ATOM 3525 H2 TIP3 515 17.080 -34.134 52.413 0.00 0.00 WAT1 ATOM 3526 OH2 TIP3 516 11.132 -31.802 52.603 0.00 0.00 WAT1 ATOM 3527 H1 TIP3 516 11.275 -32.749 52.623 0.00 0.00 WAT1 ATOM 3528 H2 TIP3 516 11.026 -31.595 51.674 0.00 0.00 WAT1 ATOM 3529 OH2 TIP3 517 4.287 -33.701 49.875 0.00 0.00 WAT1 ATOM 3530 H1 TIP3 517 4.330 -32.841 49.457 0.00 0.00 WAT1 ATOM 3531 H2 TIP3 517 3.829 -34.253 49.242 0.00 0.00 WAT1 ATOM 3532 OH2 TIP3 518 12.009 -33.570 48.276 0.00 0.00 WAT1 ATOM 3533 H1 TIP3 518 12.655 -33.899 48.901 0.00 0.00 WAT1 ATOM 3534 H2 TIP3 518 12.519 -33.052 47.653 0.00 0.00 WAT1 ATOM 3535 OH2 TIP3 519 10.466 -25.283 47.493 0.00 0.00 WAT1 ATOM 3536 H1 TIP3 519 10.170 -25.605 46.642 0.00 0.00 WAT1 ATOM 3537 H2 TIP3 519 10.142 -24.383 47.535 0.00 0.00 WAT1 ATOM 3538 OH2 TIP3 520 13.773 -34.279 50.257 0.00 0.00 WAT1 ATOM 3539 H1 TIP3 520 13.558 -35.045 50.789 0.00 0.00 WAT1 ATOM 3540 H2 TIP3 520 14.429 -33.807 50.770 0.00 0.00 WAT1 ATOM 3541 OH2 TIP3 521 7.123 -37.477 51.402 0.00 0.00 WAT1 ATOM 3542 H1 TIP3 521 7.006 -38.426 51.348 0.00 0.00 WAT1 ATOM 3543 H2 TIP3 521 6.268 -37.145 51.675 0.00 0.00 WAT1 ATOM 3544 OH2 TIP3 522 13.231 -24.168 47.653 0.00 0.00 WAT1 ATOM 3545 H1 TIP3 522 12.974 -24.858 47.041 0.00 0.00 WAT1 ATOM 3546 H2 TIP3 522 13.302 -24.611 48.498 0.00 0.00 WAT1 ATOM 3547 OH2 TIP3 523 9.390 -28.640 45.902 0.00 0.00 WAT1 ATOM 3548 H1 TIP3 523 8.678 -28.105 45.551 0.00 0.00 WAT1 ATOM 3549 H2 TIP3 523 10.081 -28.584 45.242 0.00 0.00 WAT1 ATOM 3550 OH2 TIP3 524 16.555 -23.152 42.729 0.00 0.00 WAT1 ATOM 3551 H1 TIP3 524 16.628 -22.213 42.899 0.00 0.00 WAT1 ATOM 3552 H2 TIP3 524 17.460 -23.457 42.672 0.00 0.00 WAT1 ATOM 3553 OH2 TIP3 525 4.480 -31.387 48.187 0.00 0.00 WAT1 ATOM 3554 H1 TIP3 525 3.587 -31.728 48.128 0.00 0.00 WAT1 ATOM 3555 H2 TIP3 525 4.931 -31.764 47.431 0.00 0.00 WAT1 ATOM 3556 OH2 TIP3 526 11.020 -31.525 49.818 0.00 0.00 WAT1 ATOM 3557 H1 TIP3 526 10.825 -30.920 49.103 0.00 0.00 WAT1 ATOM 3558 H2 TIP3 526 11.202 -32.359 49.383 0.00 0.00 WAT1 ATOM 3559 OH2 TIP3 527 0.116 -33.426 44.416 0.00 0.00 WAT1 ATOM 3560 H1 TIP3 527 0.590 -32.835 43.831 0.00 0.00 WAT1 ATOM 3561 H2 TIP3 527 -0.602 -32.895 44.763 0.00 0.00 WAT1 ATOM 3562 OH2 TIP3 528 7.062 -33.960 49.273 0.00 0.00 WAT1 ATOM 3563 H1 TIP3 528 6.151 -33.903 49.562 0.00 0.00 WAT1 ATOM 3564 H2 TIP3 528 7.567 -34.020 50.084 0.00 0.00 WAT1 ATOM 3565 OH2 TIP3 529 1.890 -32.331 48.100 0.00 0.00 WAT1 ATOM 3566 H1 TIP3 529 1.001 -32.231 47.760 0.00 0.00 WAT1 ATOM 3567 H2 TIP3 529 2.186 -33.173 47.754 0.00 0.00 WAT1 ATOM 3568 OH2 TIP3 530 5.543 -32.331 45.756 0.00 0.00 WAT1 ATOM 3569 H1 TIP3 530 6.475 -32.202 45.934 0.00 0.00 WAT1 ATOM 3570 H2 TIP3 530 5.328 -31.661 45.107 0.00 0.00 WAT1 ATOM 3571 OH2 TIP3 531 4.217 -31.136 43.323 0.00 0.00 WAT1 ATOM 3572 H1 TIP3 531 3.675 -31.516 42.632 0.00 0.00 WAT1 ATOM 3573 H2 TIP3 531 5.051 -30.942 42.894 0.00 0.00 WAT1 ATOM 3574 OH2 TIP3 532 8.382 -31.172 51.160 0.00 0.00 WAT1 ATOM 3575 H1 TIP3 532 8.946 -31.719 50.613 0.00 0.00 WAT1 ATOM 3576 H2 TIP3 532 8.234 -31.694 51.949 0.00 0.00 WAT1 ATOM 3577 OH2 TIP3 533 3.384 -35.036 47.578 0.00 0.00 WAT1 ATOM 3578 H1 TIP3 533 3.067 -35.938 47.543 0.00 0.00 WAT1 ATOM 3579 H2 TIP3 533 4.165 -35.034 47.026 0.00 0.00 WAT1 ATOM 3580 OH2 TIP3 534 7.552 -26.571 45.259 0.00 0.00 WAT1 ATOM 3581 H1 TIP3 534 6.808 -27.078 44.936 0.00 0.00 WAT1 ATOM 3582 H2 TIP3 534 7.418 -26.522 46.205 0.00 0.00 WAT1 ATOM 3583 OH2 TIP3 535 9.678 -25.112 44.284 0.00 0.00 WAT1 ATOM 3584 H1 TIP3 535 9.383 -24.286 44.666 0.00 0.00 WAT1 ATOM 3585 H2 TIP3 535 8.975 -25.732 44.480 0.00 0.00 WAT1 ATOM 3586 OH2 TIP3 536 15.349 -22.894 45.278 0.00 0.00 WAT1 ATOM 3587 H1 TIP3 536 14.976 -23.720 45.588 0.00 0.00 WAT1 ATOM 3588 H2 TIP3 536 15.626 -23.077 44.381 0.00 0.00 WAT1 ATOM 3589 OH2 TIP3 537 12.509 -28.086 52.300 0.00 0.00 WAT1 ATOM 3590 H1 TIP3 537 11.581 -28.318 52.273 0.00 0.00 WAT1 ATOM 3591 H2 TIP3 537 12.960 -28.863 51.970 0.00 0.00 WAT1 ATOM 3592 OH2 TIP3 538 0.807 -28.896 43.020 0.00 0.00 WAT1 ATOM 3593 H1 TIP3 538 1.423 -28.269 43.399 0.00 0.00 WAT1 ATOM 3594 H2 TIP3 538 -0.055 -28.580 43.291 0.00 0.00 WAT1 ATOM 3595 OH2 TIP3 539 12.741 -24.918 43.099 0.00 0.00 WAT1 ATOM 3596 H1 TIP3 539 13.094 -25.298 43.903 0.00 0.00 WAT1 ATOM 3597 H2 TIP3 539 11.792 -25.011 43.185 0.00 0.00 WAT1 ATOM 3598 OH2 TIP3 540 5.769 -24.236 44.002 0.00 0.00 WAT1 ATOM 3599 H1 TIP3 540 5.916 -24.756 44.792 0.00 0.00 WAT1 ATOM 3600 H2 TIP3 540 5.766 -23.329 44.308 0.00 0.00 WAT1 ATOM 3601 OH2 TIP3 541 10.838 -34.669 45.888 0.00 0.00 WAT1 ATOM 3602 H1 TIP3 541 11.058 -34.197 45.085 0.00 0.00 WAT1 ATOM 3603 H2 TIP3 541 11.396 -34.274 46.559 0.00 0.00 WAT1 ATOM 3604 OH2 TIP3 542 8.507 -22.538 44.751 0.00 0.00 WAT1 ATOM 3605 H1 TIP3 542 7.690 -22.041 44.804 0.00 0.00 WAT1 ATOM 3606 H2 TIP3 542 9.036 -22.063 44.111 0.00 0.00 WAT1 ATOM 3607 OH2 TIP3 543 8.038 -32.941 46.723 0.00 0.00 WAT1 ATOM 3608 H1 TIP3 543 8.850 -32.437 46.769 0.00 0.00 WAT1 ATOM 3609 H2 TIP3 543 7.793 -33.086 47.637 0.00 0.00 WAT1 ATOM 3610 OH2 TIP3 544 5.845 -21.495 44.733 0.00 0.00 WAT1 ATOM 3611 H1 TIP3 544 6.006 -20.695 44.232 0.00 0.00 WAT1 ATOM 3612 H2 TIP3 544 5.648 -21.188 45.618 0.00 0.00 WAT1 ATOM 3613 OH2 TIP3 545 13.380 -30.297 50.839 0.00 0.00 WAT1 ATOM 3614 H1 TIP3 545 12.583 -30.712 50.510 0.00 0.00 WAT1 ATOM 3615 H2 TIP3 545 13.825 -30.988 51.330 0.00 0.00 WAT1 ATOM 3616 OH2 TIP3 546 2.838 -24.369 43.409 0.00 0.00 WAT1 ATOM 3617 H1 TIP3 546 3.430 -23.670 43.685 0.00 0.00 WAT1 ATOM 3618 H2 TIP3 546 3.297 -24.802 42.690 0.00 0.00 WAT1 ATOM 3619 OH2 TIP3 547 1.154 -31.705 42.525 0.00 0.00 WAT1 ATOM 3620 H1 TIP3 547 1.109 -30.766 42.704 0.00 0.00 WAT1 ATOM 3621 H2 TIP3 547 0.266 -31.941 42.255 0.00 0.00 WAT1 ATOM 3622 OH2 TIP3 548 8.870 -21.943 41.684 0.00 0.00 WAT1 ATOM 3623 H1 TIP3 548 8.226 -22.574 42.006 0.00 0.00 WAT1 ATOM 3624 H2 TIP3 548 9.632 -22.474 41.452 0.00 0.00 WAT1 ATOM 3625 OH2 TIP3 549 13.474 -22.126 41.918 0.00 0.00 WAT1 ATOM 3626 H1 TIP3 549 13.757 -22.920 42.371 0.00 0.00 WAT1 ATOM 3627 H2 TIP3 549 14.214 -21.893 41.357 0.00 0.00 WAT1 ATOM 3628 OH2 TIP3 550 4.429 -26.216 41.775 0.00 0.00 WAT1 ATOM 3629 H1 TIP3 550 4.493 -27.010 42.306 0.00 0.00 WAT1 ATOM 3630 H2 TIP3 550 5.082 -26.335 41.086 0.00 0.00 WAT1 ATOM 3631 OH2 TIP3 551 5.578 -28.244 44.081 0.00 0.00 WAT1 ATOM 3632 H1 TIP3 551 5.119 -28.728 44.767 0.00 0.00 WAT1 ATOM 3633 H2 TIP3 551 5.833 -28.912 43.445 0.00 0.00 WAT1 ATOM 3634 OH2 TIP3 552 16.498 -26.777 45.764 0.00 0.00 WAT1 ATOM 3635 H1 TIP3 552 17.348 -26.356 45.892 0.00 0.00 WAT1 ATOM 3636 H2 TIP3 552 16.503 -27.517 46.372 0.00 0.00 WAT1 ATOM 3637 OH2 TIP3 553 15.001 -32.039 52.049 0.00 0.00 WAT1 ATOM 3638 H1 TIP3 553 15.934 -31.827 52.015 0.00 0.00 WAT1 ATOM 3639 H2 TIP3 553 14.766 -31.937 52.972 0.00 0.00 WAT1 ATOM 3640 OH2 TIP3 554 -0.850 -35.285 46.317 0.00 0.00 WAT1 ATOM 3641 H1 TIP3 554 -1.775 -35.076 46.187 0.00 0.00 WAT1 ATOM 3642 H2 TIP3 554 -0.396 -34.801 45.627 0.00 0.00 WAT1 ATOM 3643 OH2 TIP3 555 9.264 -35.674 50.670 0.00 0.00 WAT1 ATOM 3644 H1 TIP3 555 8.589 -36.303 50.925 0.00 0.00 WAT1 ATOM 3645 H2 TIP3 555 9.828 -36.158 50.067 0.00 0.00 WAT1 ATOM 3646 OH2 TIP3 556 14.406 -37.567 50.782 0.00 0.00 WAT1 ATOM 3647 H1 TIP3 556 15.010 -37.019 50.281 0.00 0.00 WAT1 ATOM 3648 H2 TIP3 556 13.537 -37.247 50.542 0.00 0.00 WAT1 ATOM 3649 OH2 TIP3 557 16.133 -36.428 49.116 0.00 0.00 WAT1 ATOM 3650 H1 TIP3 557 16.745 -36.942 48.589 0.00 0.00 WAT1 ATOM 3651 H2 TIP3 557 16.516 -35.550 49.139 0.00 0.00 WAT1 ATOM 3652 OH2 TIP3 558 1.590 -37.040 48.492 0.00 0.00 WAT1 ATOM 3653 H1 TIP3 558 0.813 -37.274 47.984 0.00 0.00 WAT1 ATOM 3654 H2 TIP3 558 2.121 -37.837 48.500 0.00 0.00 WAT1 ATOM 3655 OH2 TIP3 559 0.427 -37.242 44.295 0.00 0.00 WAT1 ATOM 3656 H1 TIP3 559 0.866 -36.631 43.704 0.00 0.00 WAT1 ATOM 3657 H2 TIP3 559 -0.207 -36.704 44.769 0.00 0.00 WAT1 ATOM 3658 OH2 TIP3 560 6.170 -37.113 48.305 0.00 0.00 WAT1 ATOM 3659 H1 TIP3 560 7.044 -36.725 48.275 0.00 0.00 WAT1 ATOM 3660 H2 TIP3 560 6.034 -37.328 49.228 0.00 0.00 WAT1 ATOM 3661 OH2 TIP3 561 11.727 -37.083 49.954 0.00 0.00 WAT1 ATOM 3662 H1 TIP3 561 11.803 -36.988 49.005 0.00 0.00 WAT1 ATOM 3663 H2 TIP3 561 11.451 -37.991 50.083 0.00 0.00 WAT1 ATOM 3664 OH2 TIP3 562 9.192 -20.084 43.590 0.00 0.00 WAT1 ATOM 3665 H1 TIP3 562 10.058 -19.718 43.412 0.00 0.00 WAT1 ATOM 3666 H2 TIP3 562 8.945 -20.524 42.777 0.00 0.00 WAT1 ATOM 3667 OH2 TIP3 563 10.669 -9.028 -8.118 0.00 0.00 WAT1 ATOM 3668 H1 TIP3 563 10.758 -8.084 -8.250 0.00 0.00 WAT1 ATOM 3669 H2 TIP3 563 10.030 -9.303 -8.776 0.00 0.00 WAT1 ATOM 3670 OH2 TIP3 564 1.970 -10.158 -3.106 0.00 0.00 WAT1 ATOM 3671 H1 TIP3 564 2.012 -10.784 -2.382 0.00 0.00 WAT1 ATOM 3672 H2 TIP3 564 2.673 -9.535 -2.924 0.00 0.00 WAT1 ATOM 3673 OH2 TIP3 565 2.894 -5.708 -4.571 0.00 0.00 WAT1 ATOM 3674 H1 TIP3 565 2.524 -6.510 -4.940 0.00 0.00 WAT1 ATOM 3675 H2 TIP3 565 3.835 -5.877 -4.524 0.00 0.00 WAT1 ATOM 3676 OH2 TIP3 566 0.214 -9.886 -7.052 0.00 0.00 WAT1 ATOM 3677 H1 TIP3 566 0.428 -10.656 -6.525 0.00 0.00 WAT1 ATOM 3678 H2 TIP3 566 0.952 -9.797 -7.655 0.00 0.00 WAT1 ATOM 3679 OH2 TIP3 567 10.419 -1.729 -6.185 0.00 0.00 WAT1 ATOM 3680 H1 TIP3 567 11.039 -2.406 -6.458 0.00 0.00 WAT1 ATOM 3681 H2 TIP3 567 10.211 -1.947 -5.277 0.00 0.00 WAT1 ATOM 3682 OH2 TIP3 568 4.287 -14.845 -6.693 0.00 0.00 WAT1 ATOM 3683 H1 TIP3 568 4.330 -13.985 -7.111 0.00 0.00 WAT1 ATOM 3684 H2 TIP3 568 3.829 -15.397 -7.326 0.00 0.00 WAT1 ATOM 3685 OH2 TIP3 569 12.009 -14.714 -8.292 0.00 0.00 WAT1 ATOM 3686 H1 TIP3 569 12.655 -15.043 -7.667 0.00 0.00 WAT1 ATOM 3687 H2 TIP3 569 12.519 -14.196 -8.915 0.00 0.00 WAT1 ATOM 3688 OH2 TIP3 570 0.907 -12.448 -5.931 0.00 0.00 WAT1 ATOM 3689 H1 TIP3 570 1.561 -12.998 -5.499 0.00 0.00 WAT1 ATOM 3690 H2 TIP3 570 0.931 -12.722 -6.847 0.00 0.00 WAT1 ATOM 3691 OH2 TIP3 571 3.097 -15.927 -2.619 0.00 0.00 WAT1 ATOM 3692 H1 TIP3 571 2.878 -15.397 -3.385 0.00 0.00 WAT1 ATOM 3693 H2 TIP3 571 2.429 -15.700 -1.971 0.00 0.00 WAT1 ATOM 3694 OH2 TIP3 572 10.466 -6.427 -9.075 0.00 0.00 WAT1 ATOM 3695 H1 TIP3 572 10.170 -6.749 -9.926 0.00 0.00 WAT1 ATOM 3696 H2 TIP3 572 10.142 -5.527 -9.033 0.00 0.00 WAT1 ATOM 3697 OH2 TIP3 573 13.773 -15.423 -6.311 0.00 0.00 WAT1 ATOM 3698 H1 TIP3 573 13.558 -16.189 -5.779 0.00 0.00 WAT1 ATOM 3699 H2 TIP3 573 14.429 -14.951 -5.798 0.00 0.00 WAT1 ATOM 3700 OH2 TIP3 574 2.691 -14.035 -4.666 0.00 0.00 WAT1 ATOM 3701 H1 TIP3 574 3.304 -13.402 -4.293 0.00 0.00 WAT1 ATOM 3702 H2 TIP3 574 3.203 -14.507 -5.323 0.00 0.00 WAT1 ATOM 3703 OH2 TIP3 575 7.123 -18.621 -5.166 0.00 0.00 WAT1 ATOM 3704 H1 TIP3 575 7.006 -19.570 -5.220 0.00 0.00 WAT1 ATOM 3705 H2 TIP3 575 6.268 -18.289 -4.893 0.00 0.00 WAT1 ATOM 3706 OH2 TIP3 576 12.072 -3.213 -7.424 0.00 0.00 WAT1 ATOM 3707 H1 TIP3 576 12.497 -3.920 -7.909 0.00 0.00 WAT1 ATOM 3708 H2 TIP3 576 12.389 -2.412 -7.841 0.00 0.00 WAT1 ATOM 3709 OH2 TIP3 577 13.231 -5.312 -8.915 0.00 0.00 WAT1 ATOM 3710 H1 TIP3 577 12.974 -6.002 -9.527 0.00 0.00 WAT1 ATOM 3711 H2 TIP3 577 13.302 -5.755 -8.070 0.00 0.00 WAT1 ATOM 3712 OH2 TIP3 578 9.390 -9.784 -10.666 0.00 0.00 WAT1 ATOM 3713 H1 TIP3 578 8.678 -9.249 -11.017 0.00 0.00 WAT1 ATOM 3714 H2 TIP3 578 10.081 -9.728 -11.326 0.00 0.00 WAT1 ATOM 3715 OH2 TIP3 579 16.759 -10.406 -2.372 0.00 0.00 WAT1 ATOM 3716 H1 TIP3 579 16.107 -9.711 -2.283 0.00 0.00 WAT1 ATOM 3717 H2 TIP3 579 17.224 -10.196 -3.182 0.00 0.00 WAT1 ATOM 3718 OH2 TIP3 580 12.796 -9.574 -9.714 0.00 0.00 WAT1 ATOM 3719 H1 TIP3 580 12.064 -9.346 -9.141 0.00 0.00 WAT1 ATOM 3720 H2 TIP3 580 13.243 -10.288 -9.259 0.00 0.00 WAT1 ATOM 3721 OH2 TIP3 581 4.441 -8.944 -7.831 0.00 0.00 WAT1 ATOM 3722 H1 TIP3 581 4.111 -9.314 -8.650 0.00 0.00 WAT1 ATOM 3723 H2 TIP3 581 5.029 -9.614 -7.485 0.00 0.00 WAT1 ATOM 3724 OH2 TIP3 582 5.808 -5.516 -5.150 0.00 0.00 WAT1 ATOM 3725 H1 TIP3 582 5.713 -6.094 -5.907 0.00 0.00 WAT1 ATOM 3726 H2 TIP3 582 6.537 -5.887 -4.654 0.00 0.00 WAT1 ATOM 3727 OH2 TIP3 583 2.608 -9.578 -0.252 0.00 0.00 WAT1 ATOM 3728 H1 TIP3 583 2.678 -8.927 0.446 0.00 0.00 WAT1 ATOM 3729 H2 TIP3 583 1.717 -9.475 -0.587 0.00 0.00 WAT1 ATOM 3730 OH2 TIP3 584 9.393 -3.675 -8.594 0.00 0.00 WAT1 ATOM 3731 H1 TIP3 584 9.867 -3.380 -7.816 0.00 0.00 WAT1 ATOM 3732 H2 TIP3 584 8.830 -2.937 -8.827 0.00 0.00 WAT1 ATOM 3733 OH2 TIP3 585 3.927 -3.704 1.283 0.00 0.00 WAT1 ATOM 3734 H1 TIP3 585 3.935 -3.840 0.335 0.00 0.00 WAT1 ATOM 3735 H2 TIP3 585 3.011 -3.822 1.535 0.00 0.00 WAT1 ATOM 3736 OH2 TIP3 586 3.431 -9.874 -10.242 0.00 0.00 WAT1 ATOM 3737 H1 TIP3 586 3.139 -9.106 -10.733 0.00 0.00 WAT1 ATOM 3738 H2 TIP3 586 2.757 -10.534 -10.405 0.00 0.00 WAT1 ATOM 3739 OH2 TIP3 587 -0.476 -7.511 -1.427 0.00 0.00 WAT1 ATOM 3740 H1 TIP3 587 -0.977 -7.539 -2.242 0.00 0.00 WAT1 ATOM 3741 H2 TIP3 587 -0.470 -8.417 -1.117 0.00 0.00 WAT1 ATOM 3742 OH2 TIP3 588 1.773 -6.188 -0.384 0.00 0.00 WAT1 ATOM 3743 H1 TIP3 588 1.990 -6.549 0.476 0.00 0.00 WAT1 ATOM 3744 H2 TIP3 588 0.918 -6.562 -0.594 0.00 0.00 WAT1 ATOM 3745 OH2 TIP3 589 9.055 -17.996 -1.014 0.00 0.00 WAT1 ATOM 3746 H1 TIP3 589 9.475 -18.411 -0.261 0.00 0.00 WAT1 ATOM 3747 H2 TIP3 589 8.122 -18.174 -0.897 0.00 0.00 WAT1 ATOM 3748 OH2 TIP3 590 4.483 -12.752 -3.293 0.00 0.00 WAT1 ATOM 3749 H1 TIP3 590 3.841 -12.793 -2.584 0.00 0.00 WAT1 ATOM 3750 H2 TIP3 590 4.520 -11.826 -3.531 0.00 0.00 WAT1 ATOM 3751 OH2 TIP3 591 4.480 -12.531 -8.381 0.00 0.00 WAT1 ATOM 3752 H1 TIP3 591 3.587 -12.872 -8.440 0.00 0.00 WAT1 ATOM 3753 H2 TIP3 591 4.931 -12.908 -9.137 0.00 0.00 WAT1 ATOM 3754 OH2 TIP3 592 10.016 -12.115 -9.564 0.00 0.00 WAT1 ATOM 3755 H1 TIP3 592 9.607 -11.300 -9.856 0.00 0.00 WAT1 ATOM 3756 H2 TIP3 592 10.736 -12.255 -10.179 0.00 0.00 WAT1 ATOM 3757 OH2 TIP3 593 11.020 -12.669 -6.750 0.00 0.00 WAT1 ATOM 3758 H1 TIP3 593 10.825 -12.064 -7.465 0.00 0.00 WAT1 ATOM 3759 H2 TIP3 593 11.202 -13.503 -7.185 0.00 0.00 WAT1 ATOM 3760 OH2 TIP3 594 2.233 -12.432 -1.426 0.00 0.00 WAT1 ATOM 3761 H1 TIP3 594 2.195 -12.032 -0.558 0.00 0.00 WAT1 ATOM 3762 H2 TIP3 594 1.742 -13.249 -1.336 0.00 0.00 WAT1 ATOM 3763 OH2 TIP3 595 7.062 -15.104 -7.295 0.00 0.00 WAT1 ATOM 3764 H1 TIP3 595 6.151 -15.047 -7.006 0.00 0.00 WAT1 ATOM 3765 H2 TIP3 595 7.567 -15.164 -6.484 0.00 0.00 WAT1 ATOM 3766 OH2 TIP3 596 2.352 -7.723 1.854 0.00 0.00 WAT1 ATOM 3767 H1 TIP3 596 3.085 -7.469 2.415 0.00 0.00 WAT1 ATOM 3768 H2 TIP3 596 1.572 -7.519 2.369 0.00 0.00 WAT1 ATOM 3769 OH2 TIP3 597 7.008 -13.928 -2.994 0.00 0.00 WAT1 ATOM 3770 H1 TIP3 597 6.173 -13.474 -2.884 0.00 0.00 WAT1 ATOM 3771 H2 TIP3 597 7.532 -13.652 -2.242 0.00 0.00 WAT1 ATOM 3772 OH2 TIP3 598 7.552 -7.715 -11.309 0.00 0.00 WAT1 ATOM 3773 H1 TIP3 598 6.808 -8.222 -11.632 0.00 0.00 WAT1 ATOM 3774 H2 TIP3 598 7.418 -7.666 -10.363 0.00 0.00 WAT1 ATOM 3775 OH2 TIP3 599 2.677 -8.420 -5.540 0.00 0.00 WAT1 ATOM 3776 H1 TIP3 599 3.422 -8.422 -6.141 0.00 0.00 WAT1 ATOM 3777 H2 TIP3 599 2.755 -9.244 -5.058 0.00 0.00 WAT1 ATOM 3778 OH2 TIP3 600 -0.315 -9.959 -0.225 0.00 0.00 WAT1 ATOM 3779 H1 TIP3 600 -0.092 -10.377 0.607 0.00 0.00 WAT1 ATOM 3780 H2 TIP3 600 -0.917 -10.572 -0.647 0.00 0.00 WAT1 ATOM 3781 OH2 TIP3 601 15.349 -4.038 -11.290 0.00 0.00 WAT1 ATOM 3782 H1 TIP3 601 14.976 -4.864 -10.980 0.00 0.00 WAT1 ATOM 3783 H2 TIP3 601 15.626 -4.221 -12.187 0.00 0.00 WAT1 ATOM 3784 OH2 TIP3 602 5.052 -4.902 -8.135 0.00 0.00 WAT1 ATOM 3785 H1 TIP3 602 5.579 -4.129 -8.336 0.00 0.00 WAT1 ATOM 3786 H2 TIP3 602 4.172 -4.677 -8.437 0.00 0.00 WAT1 ATOM 3787 OH2 TIP3 603 6.479 -7.239 -8.559 0.00 0.00 WAT1 ATOM 3788 H1 TIP3 603 6.238 -6.314 -8.517 0.00 0.00 WAT1 ATOM 3789 H2 TIP3 603 5.739 -7.698 -8.163 0.00 0.00 WAT1 ATOM 3790 OH2 TIP3 604 13.607 -7.389 -11.243 0.00 0.00 WAT1 ATOM 3791 H1 TIP3 604 13.330 -8.117 -10.687 0.00 0.00 WAT1 ATOM 3792 H2 TIP3 604 14.534 -7.270 -11.037 0.00 0.00 WAT1 ATOM 3793 OH2 TIP3 605 0.970 -3.401 -2.232 0.00 0.00 WAT1 ATOM 3794 H1 TIP3 605 1.187 -4.333 -2.263 0.00 0.00 WAT1 ATOM 3795 H2 TIP3 605 1.217 -3.127 -1.348 0.00 0.00 WAT1 ATOM 3796 OH2 TIP3 606 8.038 -14.085 -9.845 0.00 0.00 WAT1 ATOM 3797 H1 TIP3 606 8.850 -13.581 -9.799 0.00 0.00 WAT1 ATOM 3798 H2 TIP3 606 7.793 -14.230 -8.931 0.00 0.00 WAT1 ATOM 3799 OH2 TIP3 607 8.922 -17.004 -8.907 0.00 0.00 WAT1 ATOM 3800 H1 TIP3 607 8.575 -16.386 -8.262 0.00 0.00 WAT1 ATOM 3801 H2 TIP3 607 9.580 -16.503 -9.388 0.00 0.00 WAT1 ATOM 3802 OH2 TIP3 608 13.380 -11.441 -5.729 0.00 0.00 WAT1 ATOM 3803 H1 TIP3 608 12.583 -11.856 -6.058 0.00 0.00 WAT1 ATOM 3804 H2 TIP3 608 13.825 -12.132 -5.238 0.00 0.00 WAT1 ATOM 3805 OH2 TIP3 609 4.778 -2.595 3.741 0.00 0.00 WAT1 ATOM 3806 H1 TIP3 609 5.546 -3.054 4.082 0.00 0.00 WAT1 ATOM 3807 H2 TIP3 609 4.757 -2.821 2.811 0.00 0.00 WAT1 ATOM 3808 OH2 TIP3 610 0.920 -10.504 2.495 0.00 0.00 WAT1 ATOM 3809 H1 TIP3 610 1.328 -11.361 2.374 0.00 0.00 WAT1 ATOM 3810 H2 TIP3 610 0.660 -10.489 3.416 0.00 0.00 WAT1 ATOM 3811 OH2 TIP3 611 5.207 -14.140 0.952 0.00 0.00 WAT1 ATOM 3812 H1 TIP3 611 5.357 -14.869 0.349 0.00 0.00 WAT1 ATOM 3813 H2 TIP3 611 5.209 -13.363 0.393 0.00 0.00 WAT1 ATOM 3814 OH2 TIP3 612 5.619 -15.770 -1.556 0.00 0.00 WAT1 ATOM 3815 H1 TIP3 612 6.155 -15.319 -2.208 0.00 0.00 WAT1 ATOM 3816 H2 TIP3 612 4.767 -15.878 -1.978 0.00 0.00 WAT1 ATOM 3817 OH2 TIP3 613 3.685 -12.942 2.863 0.00 0.00 WAT1 ATOM 3818 H1 TIP3 613 2.918 -13.474 2.653 0.00 0.00 WAT1 ATOM 3819 H2 TIP3 613 4.364 -13.252 2.264 0.00 0.00 WAT1 ATOM 3820 OH2 TIP3 614 6.425 -18.314 -1.124 0.00 0.00 WAT1 ATOM 3821 H1 TIP3 614 6.327 -17.367 -1.230 0.00 0.00 WAT1 ATOM 3822 H2 TIP3 614 5.682 -18.686 -1.600 0.00 0.00 WAT1 ATOM 3823 OH2 TIP3 615 6.647 -19.020 1.547 0.00 0.00 WAT1 ATOM 3824 H1 TIP3 615 7.359 -19.660 1.533 0.00 0.00 WAT1 ATOM 3825 H2 TIP3 615 6.546 -18.753 0.633 0.00 0.00 WAT1 ATOM 3826 OH2 TIP3 616 7.000 -17.337 3.601 0.00 0.00 WAT1 ATOM 3827 H1 TIP3 616 6.869 -17.813 2.780 0.00 0.00 WAT1 ATOM 3828 H2 TIP3 616 6.401 -16.593 3.545 0.00 0.00 WAT1 ATOM 3829 OH2 TIP3 617 16.498 -7.921 -10.804 0.00 0.00 WAT1 ATOM 3830 H1 TIP3 617 17.348 -7.500 -10.676 0.00 0.00 WAT1 ATOM 3831 H2 TIP3 617 16.503 -8.661 -10.196 0.00 0.00 WAT1 ATOM 3832 OH2 TIP3 618 16.892 -9.868 -8.980 0.00 0.00 WAT1 ATOM 3833 H1 TIP3 618 16.166 -10.347 -8.582 0.00 0.00 WAT1 ATOM 3834 H2 TIP3 618 17.473 -9.662 -8.248 0.00 0.00 WAT1 ATOM 3835 OH2 TIP3 619 14.679 -11.347 -8.417 0.00 0.00 WAT1 ATOM 3836 H1 TIP3 619 14.529 -12.292 -8.437 0.00 0.00 WAT1 ATOM 3837 H2 TIP3 619 14.325 -11.066 -7.573 0.00 0.00 WAT1 ATOM 3838 OH2 TIP3 620 -0.286 -9.269 -4.407 0.00 0.00 WAT1 ATOM 3839 H1 TIP3 620 -0.102 -9.351 -5.342 0.00 0.00 WAT1 ATOM 3840 H2 TIP3 620 0.563 -9.393 -3.983 0.00 0.00 WAT1 ATOM 3841 OH2 TIP3 621 13.921 -1.445 -8.306 0.00 0.00 WAT1 ATOM 3842 H1 TIP3 621 14.574 -1.792 -8.914 0.00 0.00 WAT1 ATOM 3843 H2 TIP3 621 14.432 -0.956 -7.660 0.00 0.00 WAT1 ATOM 3844 OH2 TIP3 622 1.306 -4.516 2.237 0.00 0.00 WAT1 ATOM 3845 H1 TIP3 622 0.485 -4.341 1.777 0.00 0.00 WAT1 ATOM 3846 H2 TIP3 622 1.054 -4.589 3.158 0.00 0.00 WAT1 ATOM 3847 OH2 TIP3 623 4.260 -3.541 -1.504 0.00 0.00 WAT1 ATOM 3848 H1 TIP3 623 3.835 -2.732 -1.787 0.00 0.00 WAT1 ATOM 3849 H2 TIP3 623 5.165 -3.456 -1.806 0.00 0.00 WAT1 ATOM 3850 OH2 TIP3 624 15.834 -18.267 -0.221 0.00 0.00 WAT1 ATOM 3851 H1 TIP3 624 15.021 -17.942 -0.609 0.00 0.00 WAT1 ATOM 3852 H2 TIP3 624 16.067 -19.027 -0.754 0.00 0.00 WAT1 ATOM 3853 OH2 TIP3 625 1.662 -0.285 -1.457 0.00 0.00 WAT1 ATOM 3854 H1 TIP3 625 0.942 0.155 -1.908 0.00 0.00 WAT1 ATOM 3855 H2 TIP3 625 1.296 -0.536 -0.608 0.00 0.00 WAT1 ATOM 3856 OH2 TIP3 626 4.129 -0.685 -2.427 0.00 0.00 WAT1 ATOM 3857 H1 TIP3 626 3.264 -0.613 -2.023 0.00 0.00 WAT1 ATOM 3858 H2 TIP3 626 4.074 -0.138 -3.211 0.00 0.00 WAT1 ATOM 3859 OH2 TIP3 627 13.772 -0.349 -2.011 0.00 0.00 WAT1 ATOM 3860 H1 TIP3 627 13.590 0.567 -2.222 0.00 0.00 WAT1 ATOM 3861 H2 TIP3 627 13.948 -0.759 -2.858 0.00 0.00 WAT1 ATOM 3862 OH2 TIP3 628 3.218 -2.952 -5.891 0.00 0.00 WAT1 ATOM 3863 H1 TIP3 628 2.999 -3.868 -5.722 0.00 0.00 WAT1 ATOM 3864 H2 TIP3 628 4.042 -2.812 -5.425 0.00 0.00 WAT1 ATOM 3865 OH2 TIP3 629 5.755 -2.482 -5.043 0.00 0.00 WAT1 ATOM 3866 H1 TIP3 629 5.968 -3.370 -5.330 0.00 0.00 WAT1 ATOM 3867 H2 TIP3 629 5.820 -2.516 -4.088 0.00 0.00 WAT1 ATOM 3868 OH2 TIP3 630 9.264 -16.818 -5.898 0.00 0.00 WAT1 ATOM 3869 H1 TIP3 630 8.589 -17.447 -5.643 0.00 0.00 WAT1 ATOM 3870 H2 TIP3 630 9.828 -17.302 -6.501 0.00 0.00 WAT1 ATOM 3871 OH2 TIP3 631 14.406 -18.711 -5.786 0.00 0.00 WAT1 ATOM 3872 H1 TIP3 631 15.010 -18.163 -6.287 0.00 0.00 WAT1 ATOM 3873 H2 TIP3 631 13.537 -18.391 -6.026 0.00 0.00 WAT1 ATOM 3874 OH2 TIP3 632 16.133 -17.572 -7.452 0.00 0.00 WAT1 ATOM 3875 H1 TIP3 632 16.745 -18.086 -7.979 0.00 0.00 WAT1 ATOM 3876 H2 TIP3 632 16.516 -16.694 -7.429 0.00 0.00 WAT1 ATOM 3877 OH2 TIP3 633 11.727 -18.227 -6.614 0.00 0.00 WAT1 ATOM 3878 H1 TIP3 633 11.803 -18.132 -7.563 0.00 0.00 WAT1 ATOM 3879 H2 TIP3 633 11.451 -19.135 -6.485 0.00 0.00 WAT1 ATOM 3880 OH2 TIP3 634 15.901 -1.665 -10.298 0.00 0.00 WAT1 ATOM 3881 H1 TIP3 634 15.707 -2.413 -10.863 0.00 0.00 WAT1 ATOM 3882 H2 TIP3 634 15.862 -0.907 -10.882 0.00 0.00 WAT1 ATOM 3883 OH2 TIP3 635 9.602 -9.773 14.157 0.00 0.00 WAT1 ATOM 3884 H1 TIP3 635 9.564 -10.419 14.862 0.00 0.00 WAT1 ATOM 3885 H2 TIP3 635 9.279 -10.239 13.386 0.00 0.00 WAT1 ATOM 3886 OH2 TIP3 636 13.308 -6.834 12.459 0.00 0.00 WAT1 ATOM 3887 H1 TIP3 636 12.867 -7.554 12.909 0.00 0.00 WAT1 ATOM 3888 H2 TIP3 636 13.295 -6.113 13.089 0.00 0.00 WAT1 ATOM 3889 OH2 TIP3 637 4.287 -14.845 12.163 0.00 0.00 WAT1 ATOM 3890 H1 TIP3 637 4.330 -13.985 11.745 0.00 0.00 WAT1 ATOM 3891 H2 TIP3 637 3.829 -15.397 11.530 0.00 0.00 WAT1 ATOM 3892 OH2 TIP3 638 6.063 -10.898 12.141 0.00 0.00 WAT1 ATOM 3893 H1 TIP3 638 6.679 -11.424 12.650 0.00 0.00 WAT1 ATOM 3894 H2 TIP3 638 5.477 -11.538 11.737 0.00 0.00 WAT1 ATOM 3895 OH2 TIP3 639 3.097 -15.927 16.237 0.00 0.00 WAT1 ATOM 3896 H1 TIP3 639 2.878 -15.397 15.471 0.00 0.00 WAT1 ATOM 3897 H2 TIP3 639 2.429 -15.700 16.885 0.00 0.00 WAT1 ATOM 3898 OH2 TIP3 640 10.466 -6.427 9.781 0.00 0.00 WAT1 ATOM 3899 H1 TIP3 640 10.170 -6.749 8.930 0.00 0.00 WAT1 ATOM 3900 H2 TIP3 640 10.142 -5.527 9.823 0.00 0.00 WAT1 ATOM 3901 OH2 TIP3 641 13.231 -5.312 9.941 0.00 0.00 WAT1 ATOM 3902 H1 TIP3 641 12.974 -6.002 9.329 0.00 0.00 WAT1 ATOM 3903 H2 TIP3 641 13.302 -5.755 10.786 0.00 0.00 WAT1 ATOM 3904 OH2 TIP3 642 14.917 -6.746 18.418 0.00 0.00 WAT1 ATOM 3905 H1 TIP3 642 15.057 -7.337 17.679 0.00 0.00 WAT1 ATOM 3906 H2 TIP3 642 15.085 -5.873 18.062 0.00 0.00 WAT1 ATOM 3907 OH2 TIP3 643 16.759 -10.406 16.484 0.00 0.00 WAT1 ATOM 3908 H1 TIP3 643 16.107 -9.711 16.573 0.00 0.00 WAT1 ATOM 3909 H2 TIP3 643 17.224 -10.196 15.674 0.00 0.00 WAT1 ATOM 3910 OH2 TIP3 644 12.693 -11.400 18.210 0.00 0.00 WAT1 ATOM 3911 H1 TIP3 644 12.773 -10.637 18.782 0.00 0.00 WAT1 ATOM 3912 H2 TIP3 644 12.092 -11.121 17.519 0.00 0.00 WAT1 ATOM 3913 OH2 TIP3 645 9.393 -3.675 10.262 0.00 0.00 WAT1 ATOM 3914 H1 TIP3 645 9.867 -3.380 11.040 0.00 0.00 WAT1 ATOM 3915 H2 TIP3 645 8.830 -2.937 10.029 0.00 0.00 WAT1 ATOM 3916 OH2 TIP3 646 3.431 -9.874 8.614 0.00 0.00 WAT1 ATOM 3917 H1 TIP3 646 3.139 -9.106 8.123 0.00 0.00 WAT1 ATOM 3918 H2 TIP3 646 2.757 -10.534 8.451 0.00 0.00 WAT1 ATOM 3919 OH2 TIP3 647 8.865 -0.719 8.677 0.00 0.00 WAT1 ATOM 3920 H1 TIP3 647 8.790 -0.840 7.731 0.00 0.00 WAT1 ATOM 3921 H2 TIP3 647 8.898 0.231 8.796 0.00 0.00 WAT1 ATOM 3922 OH2 TIP3 648 11.967 -1.565 5.680 0.00 0.00 WAT1 ATOM 3923 H1 TIP3 648 12.342 -2.309 5.209 0.00 0.00 WAT1 ATOM 3924 H2 TIP3 648 11.971 -1.835 6.598 0.00 0.00 WAT1 ATOM 3925 OH2 TIP3 649 11.636 -1.639 8.429 0.00 0.00 WAT1 ATOM 3926 H1 TIP3 649 10.701 -1.539 8.608 0.00 0.00 WAT1 ATOM 3927 H2 TIP3 649 11.916 -2.348 9.007 0.00 0.00 WAT1 ATOM 3928 OH2 TIP3 650 14.624 -12.572 20.475 0.00 0.00 WAT1 ATOM 3929 H1 TIP3 650 14.217 -12.091 19.755 0.00 0.00 WAT1 ATOM 3930 H2 TIP3 650 14.665 -13.477 20.168 0.00 0.00 WAT1 ATOM 3931 OH2 TIP3 651 4.392 -17.718 14.468 0.00 0.00 WAT1 ATOM 3932 H1 TIP3 651 3.531 -17.805 14.060 0.00 0.00 WAT1 ATOM 3933 H2 TIP3 651 4.370 -16.862 14.895 0.00 0.00 WAT1 ATOM 3934 OH2 TIP3 652 4.483 -12.752 15.563 0.00 0.00 WAT1 ATOM 3935 H1 TIP3 652 3.841 -12.793 16.272 0.00 0.00 WAT1 ATOM 3936 H2 TIP3 652 4.520 -11.826 15.325 0.00 0.00 WAT1 ATOM 3937 OH2 TIP3 653 4.480 -12.531 10.475 0.00 0.00 WAT1 ATOM 3938 H1 TIP3 653 3.587 -12.872 10.416 0.00 0.00 WAT1 ATOM 3939 H2 TIP3 653 4.931 -12.908 9.719 0.00 0.00 WAT1 ATOM 3940 OH2 TIP3 654 5.599 -15.058 4.228 0.00 0.00 WAT1 ATOM 3941 H1 TIP3 654 5.168 -15.503 4.958 0.00 0.00 WAT1 ATOM 3942 H2 TIP3 654 4.881 -14.686 3.716 0.00 0.00 WAT1 ATOM 3943 OH2 TIP3 655 10.284 -11.031 16.777 0.00 0.00 WAT1 ATOM 3944 H1 TIP3 655 10.608 -11.662 16.134 0.00 0.00 WAT1 ATOM 3945 H2 TIP3 655 9.844 -11.566 17.438 0.00 0.00 WAT1 ATOM 3946 OH2 TIP3 656 7.062 -15.104 11.561 0.00 0.00 WAT1 ATOM 3947 H1 TIP3 656 6.151 -15.047 11.850 0.00 0.00 WAT1 ATOM 3948 H2 TIP3 656 7.567 -15.164 12.372 0.00 0.00 WAT1 ATOM 3949 OH2 TIP3 657 5.543 -13.475 8.044 0.00 0.00 WAT1 ATOM 3950 H1 TIP3 657 6.475 -13.346 8.222 0.00 0.00 WAT1 ATOM 3951 H2 TIP3 657 5.328 -12.805 7.395 0.00 0.00 WAT1 ATOM 3952 OH2 TIP3 658 4.217 -12.280 5.611 0.00 0.00 WAT1 ATOM 3953 H1 TIP3 658 3.675 -12.660 4.920 0.00 0.00 WAT1 ATOM 3954 H2 TIP3 658 5.051 -12.086 5.182 0.00 0.00 WAT1 ATOM 3955 OH2 TIP3 659 8.382 -12.316 13.448 0.00 0.00 WAT1 ATOM 3956 H1 TIP3 659 8.946 -12.863 12.901 0.00 0.00 WAT1 ATOM 3957 H2 TIP3 659 8.234 -12.838 14.237 0.00 0.00 WAT1 ATOM 3958 OH2 TIP3 660 3.384 -16.180 9.866 0.00 0.00 WAT1 ATOM 3959 H1 TIP3 660 3.067 -17.082 9.831 0.00 0.00 WAT1 ATOM 3960 H2 TIP3 660 4.165 -16.178 9.314 0.00 0.00 WAT1 ATOM 3961 OH2 TIP3 661 7.008 -13.928 15.862 0.00 0.00 WAT1 ATOM 3962 H1 TIP3 661 6.173 -13.474 15.972 0.00 0.00 WAT1 ATOM 3963 H2 TIP3 661 7.532 -13.652 16.614 0.00 0.00 WAT1 ATOM 3964 OH2 TIP3 662 7.552 -7.715 7.547 0.00 0.00 WAT1 ATOM 3965 H1 TIP3 662 6.808 -8.222 7.224 0.00 0.00 WAT1 ATOM 3966 H2 TIP3 662 7.418 -7.666 8.493 0.00 0.00 WAT1 ATOM 3967 OH2 TIP3 663 14.702 -8.582 16.333 0.00 0.00 WAT1 ATOM 3968 H1 TIP3 663 15.344 -8.125 15.790 0.00 0.00 WAT1 ATOM 3969 H2 TIP3 663 13.872 -8.469 15.871 0.00 0.00 WAT1 ATOM 3970 OH2 TIP3 664 9.678 -6.256 6.572 0.00 0.00 WAT1 ATOM 3971 H1 TIP3 664 9.383 -5.430 6.954 0.00 0.00 WAT1 ATOM 3972 H2 TIP3 664 8.975 -6.876 6.768 0.00 0.00 WAT1 ATOM 3973 OH2 TIP3 665 6.702 -10.442 20.844 0.00 0.00 WAT1 ATOM 3974 H1 TIP3 665 6.406 -10.608 19.949 0.00 0.00 WAT1 ATOM 3975 H2 TIP3 665 7.633 -10.662 20.834 0.00 0.00 WAT1 ATOM 3976 OH2 TIP3 666 17.017 -7.024 19.938 0.00 0.00 WAT1 ATOM 3977 H1 TIP3 666 16.165 -6.786 19.571 0.00 0.00 WAT1 ATOM 3978 H2 TIP3 666 17.607 -7.041 19.185 0.00 0.00 WAT1 ATOM 3979 OH2 TIP3 667 15.349 -4.038 7.566 0.00 0.00 WAT1 ATOM 3980 H1 TIP3 667 14.976 -4.864 7.876 0.00 0.00 WAT1 ATOM 3981 H2 TIP3 667 15.626 -4.221 6.669 0.00 0.00 WAT1 ATOM 3982 OH2 TIP3 668 12.509 -9.230 14.588 0.00 0.00 WAT1 ATOM 3983 H1 TIP3 668 11.581 -9.462 14.561 0.00 0.00 WAT1 ATOM 3984 H2 TIP3 668 12.960 -10.007 14.258 0.00 0.00 WAT1 ATOM 3985 OH2 TIP3 669 6.479 -7.239 10.297 0.00 0.00 WAT1 ATOM 3986 H1 TIP3 669 6.238 -6.314 10.339 0.00 0.00 WAT1 ATOM 3987 H2 TIP3 669 5.739 -7.698 10.693 0.00 0.00 WAT1 ATOM 3988 OH2 TIP3 670 1.319 -15.206 18.189 0.00 0.00 WAT1 ATOM 3989 H1 TIP3 670 0.426 -14.867 18.122 0.00 0.00 WAT1 ATOM 3990 H2 TIP3 670 1.220 -16.061 18.607 0.00 0.00 WAT1 ATOM 3991 OH2 TIP3 671 5.769 -5.380 6.290 0.00 0.00 WAT1 ATOM 3992 H1 TIP3 671 5.916 -5.900 7.080 0.00 0.00 WAT1 ATOM 3993 H2 TIP3 671 5.766 -4.473 6.596 0.00 0.00 WAT1 ATOM 3994 OH2 TIP3 672 8.507 -3.682 7.039 0.00 0.00 WAT1 ATOM 3995 H1 TIP3 672 7.690 -3.185 7.092 0.00 0.00 WAT1 ATOM 3996 H2 TIP3 672 9.036 -3.207 6.399 0.00 0.00 WAT1 ATOM 3997 OH2 TIP3 673 8.038 -14.085 9.011 0.00 0.00 WAT1 ATOM 3998 H1 TIP3 673 8.850 -13.581 9.057 0.00 0.00 WAT1 ATOM 3999 H2 TIP3 673 7.793 -14.230 9.925 0.00 0.00 WAT1 ATOM 4000 OH2 TIP3 674 8.574 -13.099 18.196 0.00 0.00 WAT1 ATOM 4001 H1 TIP3 674 8.693 -12.525 18.953 0.00 0.00 WAT1 ATOM 4002 H2 TIP3 674 9.229 -13.787 18.311 0.00 0.00 WAT1 ATOM 4003 OH2 TIP3 675 5.845 -2.639 7.021 0.00 0.00 WAT1 ATOM 4004 H1 TIP3 675 6.006 -1.839 6.520 0.00 0.00 WAT1 ATOM 4005 H2 TIP3 675 5.648 -2.332 7.906 0.00 0.00 WAT1 ATOM 4006 OH2 TIP3 676 4.579 -15.941 6.637 0.00 0.00 WAT1 ATOM 4007 H1 TIP3 676 4.496 -15.052 6.983 0.00 0.00 WAT1 ATOM 4008 H2 TIP3 676 5.469 -16.206 6.868 0.00 0.00 WAT1 ATOM 4009 OH2 TIP3 677 2.838 -5.513 5.697 0.00 0.00 WAT1 ATOM 4010 H1 TIP3 677 3.430 -4.814 5.973 0.00 0.00 WAT1 ATOM 4011 H2 TIP3 677 3.297 -5.946 4.978 0.00 0.00 WAT1 ATOM 4012 OH2 TIP3 678 1.962 -18.067 13.486 0.00 0.00 WAT1 ATOM 4013 H1 TIP3 678 1.733 -18.008 12.559 0.00 0.00 WAT1 ATOM 4014 H2 TIP3 678 1.519 -18.859 13.793 0.00 0.00 WAT1 ATOM 4015 OH2 TIP3 679 4.429 -7.360 4.063 0.00 0.00 WAT1 ATOM 4016 H1 TIP3 679 4.493 -8.154 4.594 0.00 0.00 WAT1 ATOM 4017 H2 TIP3 679 5.082 -7.479 3.374 0.00 0.00 WAT1 ATOM 4018 OH2 TIP3 680 0.920 -10.504 21.351 0.00 0.00 WAT1 ATOM 4019 H1 TIP3 680 1.328 -11.361 21.230 0.00 0.00 WAT1 ATOM 4020 H2 TIP3 680 0.660 -10.489 22.272 0.00 0.00 WAT1 ATOM 4021 OH2 TIP3 681 5.578 -9.388 6.369 0.00 0.00 WAT1 ATOM 4022 H1 TIP3 681 5.119 -9.872 7.055 0.00 0.00 WAT1 ATOM 4023 H2 TIP3 681 5.833 -10.056 5.733 0.00 0.00 WAT1 ATOM 4024 OH2 TIP3 682 4.867 -11.495 18.725 0.00 0.00 WAT1 ATOM 4025 H1 TIP3 682 4.249 -10.820 19.006 0.00 0.00 WAT1 ATOM 4026 H2 TIP3 682 5.211 -11.174 17.892 0.00 0.00 WAT1 ATOM 4027 OH2 TIP3 683 6.649 -11.145 4.632 0.00 0.00 WAT1 ATOM 4028 H1 TIP3 683 6.469 -11.299 3.704 0.00 0.00 WAT1 ATOM 4029 H2 TIP3 683 7.600 -11.037 4.676 0.00 0.00 WAT1 ATOM 4030 OH2 TIP3 684 9.887 -9.024 22.003 0.00 0.00 WAT1 ATOM 4031 H1 TIP3 684 10.840 -8.940 21.975 0.00 0.00 WAT1 ATOM 4032 H2 TIP3 684 9.727 -9.735 22.622 0.00 0.00 WAT1 ATOM 4033 OH2 TIP3 685 5.207 -14.140 19.808 0.00 0.00 WAT1 ATOM 4034 H1 TIP3 685 5.357 -14.869 19.205 0.00 0.00 WAT1 ATOM 4035 H2 TIP3 685 5.209 -13.363 19.249 0.00 0.00 WAT1 ATOM 4036 OH2 TIP3 686 5.619 -15.770 17.300 0.00 0.00 WAT1 ATOM 4037 H1 TIP3 686 6.155 -15.319 16.648 0.00 0.00 WAT1 ATOM 4038 H2 TIP3 686 4.767 -15.878 16.878 0.00 0.00 WAT1 ATOM 4039 OH2 TIP3 687 7.201 -10.331 17.540 0.00 0.00 WAT1 ATOM 4040 H1 TIP3 687 7.952 -10.487 16.967 0.00 0.00 WAT1 ATOM 4041 H2 TIP3 687 6.862 -9.479 17.264 0.00 0.00 WAT1 ATOM 4042 OH2 TIP3 688 11.617 -12.516 22.568 0.00 0.00 WAT1 ATOM 4043 H1 TIP3 688 11.809 -13.447 22.457 0.00 0.00 WAT1 ATOM 4044 H2 TIP3 688 12.474 -12.091 22.558 0.00 0.00 WAT1 ATOM 4045 OH2 TIP3 689 12.933 -9.727 20.646 0.00 0.00 WAT1 ATOM 4046 H1 TIP3 689 12.652 -9.018 20.068 0.00 0.00 WAT1 ATOM 4047 H2 TIP3 689 13.876 -9.800 20.495 0.00 0.00 WAT1 ATOM 4048 OH2 TIP3 690 3.685 -12.942 21.719 0.00 0.00 WAT1 ATOM 4049 H1 TIP3 690 2.918 -13.474 21.509 0.00 0.00 WAT1 ATOM 4050 H2 TIP3 690 4.364 -13.252 21.120 0.00 0.00 WAT1 ATOM 4051 OH2 TIP3 691 6.547 -0.454 5.633 0.00 0.00 WAT1 ATOM 4052 H1 TIP3 691 7.480 -0.296 5.777 0.00 0.00 WAT1 ATOM 4053 H2 TIP3 691 6.283 0.221 5.008 0.00 0.00 WAT1 ATOM 4054 OH2 TIP3 692 16.498 -7.921 8.052 0.00 0.00 WAT1 ATOM 4055 H1 TIP3 692 17.348 -7.500 8.180 0.00 0.00 WAT1 ATOM 4056 H2 TIP3 692 16.503 -8.661 8.660 0.00 0.00 WAT1 ATOM 4057 OH2 TIP3 693 16.892 -9.868 9.876 0.00 0.00 WAT1 ATOM 4058 H1 TIP3 693 16.166 -10.347 10.274 0.00 0.00 WAT1 ATOM 4059 H2 TIP3 693 17.473 -9.662 10.608 0.00 0.00 WAT1 ATOM 4060 OH2 TIP3 694 16.651 -7.083 14.824 0.00 0.00 WAT1 ATOM 4061 H1 TIP3 694 17.485 -7.461 14.543 0.00 0.00 WAT1 ATOM 4062 H2 TIP3 694 16.763 -6.140 14.705 0.00 0.00 WAT1 ATOM 4063 OH2 TIP3 695 17.160 -9.967 6.267 0.00 0.00 WAT1 ATOM 4064 H1 TIP3 695 16.639 -9.610 5.548 0.00 0.00 WAT1 ATOM 4065 H2 TIP3 695 17.127 -9.292 6.945 0.00 0.00 WAT1 ATOM 4066 OH2 TIP3 696 15.535 -9.377 20.078 0.00 0.00 WAT1 ATOM 4067 H1 TIP3 696 16.118 -10.111 20.269 0.00 0.00 WAT1 ATOM 4068 H2 TIP3 696 16.099 -8.605 20.124 0.00 0.00 WAT1 ATOM 4069 OH2 TIP3 697 15.030 -12.446 17.113 0.00 0.00 WAT1 ATOM 4070 H1 TIP3 697 14.187 -12.178 17.479 0.00 0.00 WAT1 ATOM 4071 H2 TIP3 697 15.473 -11.624 16.902 0.00 0.00 WAT1 ATOM 4072 OH2 TIP3 698 -0.688 -13.998 20.590 0.00 0.00 WAT1 ATOM 4073 H1 TIP3 698 0.231 -14.120 20.826 0.00 0.00 WAT1 ATOM 4074 H2 TIP3 698 -1.138 -14.748 20.979 0.00 0.00 WAT1 ATOM 4075 OH2 TIP3 699 13.921 -1.445 10.550 0.00 0.00 WAT1 ATOM 4076 H1 TIP3 699 14.574 -1.792 9.942 0.00 0.00 WAT1 ATOM 4077 H2 TIP3 699 14.432 -0.956 11.196 0.00 0.00 WAT1 ATOM 4078 OH2 TIP3 700 -0.886 -17.691 16.949 0.00 0.00 WAT1 ATOM 4079 H1 TIP3 700 -1.551 -17.937 17.592 0.00 0.00 WAT1 ATOM 4080 H2 TIP3 700 -1.329 -17.069 16.372 0.00 0.00 WAT1 ATOM 4081 OH2 TIP3 701 1.590 -18.184 10.780 0.00 0.00 WAT1 ATOM 4082 H1 TIP3 701 0.813 -18.418 10.272 0.00 0.00 WAT1 ATOM 4083 H2 TIP3 701 2.121 -18.981 10.788 0.00 0.00 WAT1 ATOM 4084 OH2 TIP3 702 6.170 -18.257 10.593 0.00 0.00 WAT1 ATOM 4085 H1 TIP3 702 7.044 -17.869 10.563 0.00 0.00 WAT1 ATOM 4086 H2 TIP3 702 6.034 -18.472 11.516 0.00 0.00 WAT1 ATOM 4087 OH2 TIP3 703 7.314 -16.177 7.483 0.00 0.00 WAT1 ATOM 4088 H1 TIP3 703 7.492 -16.823 8.166 0.00 0.00 WAT1 ATOM 4089 H2 TIP3 703 7.260 -15.343 7.950 0.00 0.00 WAT1 ATOM 4090 OH2 TIP3 704 9.192 -1.228 5.878 0.00 0.00 WAT1 ATOM 4091 H1 TIP3 704 10.058 -0.862 5.700 0.00 0.00 WAT1 ATOM 4092 H2 TIP3 704 8.945 -1.668 5.065 0.00 0.00 WAT1 ATOM 4093 OH2 TIP3 705 15.901 -1.665 8.558 0.00 0.00 WAT1 ATOM 4094 H1 TIP3 705 15.707 -2.413 7.993 0.00 0.00 WAT1 ATOM 4095 H2 TIP3 705 15.862 -0.907 7.974 0.00 0.00 WAT1 ATOM 4096 OH2 TIP3 706 1.548 -17.670 20.297 0.00 0.00 WAT1 ATOM 4097 H1 TIP3 706 1.182 -18.435 20.740 0.00 0.00 WAT1 ATOM 4098 H2 TIP3 706 2.461 -17.641 20.584 0.00 0.00 WAT1 ATOM 4099 OH2 TIP3 707 2.146 -1.518 4.506 0.00 0.00 WAT1 ATOM 4100 H1 TIP3 707 1.878 -1.231 5.379 0.00 0.00 WAT1 ATOM 4101 H2 TIP3 707 2.917 -2.064 4.658 0.00 0.00 WAT1 ATOM 4102 OH2 TIP3 708 10.669 -9.028 29.594 0.00 0.00 WAT1 ATOM 4103 H1 TIP3 708 10.758 -8.084 29.462 0.00 0.00 WAT1 ATOM 4104 H2 TIP3 708 10.030 -9.303 28.936 0.00 0.00 WAT1 ATOM 4105 OH2 TIP3 709 9.602 -9.773 33.013 0.00 0.00 WAT1 ATOM 4106 H1 TIP3 709 9.564 -10.419 33.718 0.00 0.00 WAT1 ATOM 4107 H2 TIP3 709 9.279 -10.239 32.242 0.00 0.00 WAT1 ATOM 4108 OH2 TIP3 710 13.308 -6.834 31.315 0.00 0.00 WAT1 ATOM 4109 H1 TIP3 710 12.867 -7.554 31.765 0.00 0.00 WAT1 ATOM 4110 H2 TIP3 710 13.295 -6.113 31.945 0.00 0.00 WAT1 ATOM 4111 OH2 TIP3 711 -0.496 -12.048 28.534 0.00 0.00 WAT1 ATOM 4112 H1 TIP3 711 -0.944 -11.202 28.516 0.00 0.00 WAT1 ATOM 4113 H2 TIP3 711 -1.057 -12.628 28.019 0.00 0.00 WAT1 ATOM 4114 OH2 TIP3 712 11.132 -12.946 33.747 0.00 0.00 WAT1 ATOM 4115 H1 TIP3 712 11.275 -13.893 33.767 0.00 0.00 WAT1 ATOM 4116 H2 TIP3 712 11.026 -12.739 32.818 0.00 0.00 WAT1 ATOM 4117 OH2 TIP3 713 4.287 -14.845 31.019 0.00 0.00 WAT1 ATOM 4118 H1 TIP3 713 4.330 -13.985 30.601 0.00 0.00 WAT1 ATOM 4119 H2 TIP3 713 3.829 -15.397 30.386 0.00 0.00 WAT1 ATOM 4120 OH2 TIP3 714 0.907 -12.448 31.781 0.00 0.00 WAT1 ATOM 4121 H1 TIP3 714 1.561 -12.998 32.213 0.00 0.00 WAT1 ATOM 4122 H2 TIP3 714 0.931 -12.722 30.865 0.00 0.00 WAT1 ATOM 4123 OH2 TIP3 715 6.063 -10.898 30.997 0.00 0.00 WAT1 ATOM 4124 H1 TIP3 715 6.679 -11.424 31.506 0.00 0.00 WAT1 ATOM 4125 H2 TIP3 715 5.477 -11.538 30.593 0.00 0.00 WAT1 ATOM 4126 OH2 TIP3 716 17.046 -14.261 36.516 0.00 0.00 WAT1 ATOM 4127 H1 TIP3 716 16.357 -13.603 36.421 0.00 0.00 WAT1 ATOM 4128 H2 TIP3 716 17.061 -14.458 37.453 0.00 0.00 WAT1 ATOM 4129 OH2 TIP3 717 3.097 -15.927 35.093 0.00 0.00 WAT1 ATOM 4130 H1 TIP3 717 2.878 -15.397 34.327 0.00 0.00 WAT1 ATOM 4131 H2 TIP3 717 2.429 -15.700 35.741 0.00 0.00 WAT1 ATOM 4132 OH2 TIP3 718 2.691 -14.035 33.046 0.00 0.00 WAT1 ATOM 4133 H1 TIP3 718 3.304 -13.402 33.419 0.00 0.00 WAT1 ATOM 4134 H2 TIP3 718 3.203 -14.507 32.389 0.00 0.00 WAT1 ATOM 4135 OH2 TIP3 719 9.390 -9.784 27.046 0.00 0.00 WAT1 ATOM 4136 H1 TIP3 719 8.678 -9.249 26.695 0.00 0.00 WAT1 ATOM 4137 H2 TIP3 719 10.081 -9.728 26.386 0.00 0.00 WAT1 ATOM 4138 OH2 TIP3 720 9.444 -11.326 24.085 0.00 0.00 WAT1 ATOM 4139 H1 TIP3 720 10.145 -11.304 24.736 0.00 0.00 WAT1 ATOM 4140 H2 TIP3 720 9.746 -11.954 23.429 0.00 0.00 WAT1 ATOM 4141 OH2 TIP3 721 16.759 -10.406 35.340 0.00 0.00 WAT1 ATOM 4142 H1 TIP3 721 16.107 -9.711 35.429 0.00 0.00 WAT1 ATOM 4143 H2 TIP3 721 17.224 -10.196 34.530 0.00 0.00 WAT1 ATOM 4144 OH2 TIP3 722 12.796 -9.574 27.998 0.00 0.00 WAT1 ATOM 4145 H1 TIP3 722 12.064 -9.346 28.571 0.00 0.00 WAT1 ATOM 4146 H2 TIP3 722 13.243 -10.288 28.453 0.00 0.00 WAT1 ATOM 4147 OH2 TIP3 723 12.693 -11.400 37.066 0.00 0.00 WAT1 ATOM 4148 H1 TIP3 723 12.773 -10.637 37.638 0.00 0.00 WAT1 ATOM 4149 H2 TIP3 723 12.092 -11.121 36.375 0.00 0.00 WAT1 ATOM 4150 OH2 TIP3 724 11.667 -10.412 25.683 0.00 0.00 WAT1 ATOM 4151 H1 TIP3 724 12.246 -10.262 26.430 0.00 0.00 WAT1 ATOM 4152 H2 TIP3 724 12.081 -9.941 24.960 0.00 0.00 WAT1 ATOM 4153 OH2 TIP3 725 3.431 -9.874 27.470 0.00 0.00 WAT1 ATOM 4154 H1 TIP3 725 3.139 -9.106 26.979 0.00 0.00 WAT1 ATOM 4155 H2 TIP3 725 2.757 -10.534 27.307 0.00 0.00 WAT1 ATOM 4156 OH2 TIP3 726 14.624 -12.572 39.331 0.00 0.00 WAT1 ATOM 4157 H1 TIP3 726 14.217 -12.091 38.611 0.00 0.00 WAT1 ATOM 4158 H2 TIP3 726 14.665 -13.477 39.024 0.00 0.00 WAT1 ATOM 4159 OH2 TIP3 727 9.055 -17.996 36.698 0.00 0.00 WAT1 ATOM 4160 H1 TIP3 727 9.475 -18.411 37.451 0.00 0.00 WAT1 ATOM 4161 H2 TIP3 727 8.122 -18.174 36.815 0.00 0.00 WAT1 ATOM 4162 OH2 TIP3 728 12.381 -14.240 37.552 0.00 0.00 WAT1 ATOM 4163 H1 TIP3 728 11.867 -14.366 38.349 0.00 0.00 WAT1 ATOM 4164 H2 TIP3 728 12.226 -13.328 37.307 0.00 0.00 WAT1 ATOM 4165 OH2 TIP3 729 13.144 -9.379 23.313 0.00 0.00 WAT1 ATOM 4166 H1 TIP3 729 13.186 -9.602 22.383 0.00 0.00 WAT1 ATOM 4167 H2 TIP3 729 13.993 -8.981 23.503 0.00 0.00 WAT1 ATOM 4168 OH2 TIP3 730 4.483 -12.752 34.419 0.00 0.00 WAT1 ATOM 4169 H1 TIP3 730 3.841 -12.793 35.128 0.00 0.00 WAT1 ATOM 4170 H2 TIP3 730 4.520 -11.826 34.181 0.00 0.00 WAT1 ATOM 4171 OH2 TIP3 731 4.480 -12.531 29.331 0.00 0.00 WAT1 ATOM 4172 H1 TIP3 731 3.587 -12.872 29.272 0.00 0.00 WAT1 ATOM 4173 H2 TIP3 731 4.931 -12.908 28.575 0.00 0.00 WAT1 ATOM 4174 OH2 TIP3 732 -1.159 -15.316 30.136 0.00 0.00 WAT1 ATOM 4175 H1 TIP3 732 -0.528 -15.345 30.856 0.00 0.00 WAT1 ATOM 4176 H2 TIP3 732 -0.709 -15.741 29.406 0.00 0.00 WAT1 ATOM 4177 OH2 TIP3 733 1.890 -13.475 29.244 0.00 0.00 WAT1 ATOM 4178 H1 TIP3 733 1.001 -13.375 28.904 0.00 0.00 WAT1 ATOM 4179 H2 TIP3 733 2.186 -14.317 28.898 0.00 0.00 WAT1 ATOM 4180 OH2 TIP3 734 8.382 -12.316 32.304 0.00 0.00 WAT1 ATOM 4181 H1 TIP3 734 8.946 -12.863 31.757 0.00 0.00 WAT1 ATOM 4182 H2 TIP3 734 8.234 -12.838 33.093 0.00 0.00 WAT1 ATOM 4183 OH2 TIP3 735 7.008 -13.928 34.718 0.00 0.00 WAT1 ATOM 4184 H1 TIP3 735 6.173 -13.474 34.828 0.00 0.00 WAT1 ATOM 4185 H2 TIP3 735 7.532 -13.652 35.470 0.00 0.00 WAT1 ATOM 4186 OH2 TIP3 736 14.702 -8.582 35.189 0.00 0.00 WAT1 ATOM 4187 H1 TIP3 736 15.344 -8.125 34.646 0.00 0.00 WAT1 ATOM 4188 H2 TIP3 736 13.872 -8.469 34.727 0.00 0.00 WAT1 ATOM 4189 OH2 TIP3 737 12.509 -9.230 33.444 0.00 0.00 WAT1 ATOM 4190 H1 TIP3 737 11.581 -9.462 33.417 0.00 0.00 WAT1 ATOM 4191 H2 TIP3 737 12.960 -10.007 33.114 0.00 0.00 WAT1 ATOM 4192 OH2 TIP3 738 0.807 -10.040 24.164 0.00 0.00 WAT1 ATOM 4193 H1 TIP3 738 1.423 -9.413 24.543 0.00 0.00 WAT1 ATOM 4194 H2 TIP3 738 -0.055 -9.724 24.435 0.00 0.00 WAT1 ATOM 4195 OH2 TIP3 739 1.319 -15.206 37.045 0.00 0.00 WAT1 ATOM 4196 H1 TIP3 739 0.426 -14.867 36.978 0.00 0.00 WAT1 ATOM 4197 H2 TIP3 739 1.220 -16.061 37.463 0.00 0.00 WAT1 ATOM 4198 OH2 TIP3 740 13.607 -7.389 26.469 0.00 0.00 WAT1 ATOM 4199 H1 TIP3 740 13.330 -8.117 27.025 0.00 0.00 WAT1 ATOM 4200 H2 TIP3 740 14.534 -7.270 26.675 0.00 0.00 WAT1 ATOM 4201 OH2 TIP3 741 2.222 -8.127 25.656 0.00 0.00 WAT1 ATOM 4202 H1 TIP3 741 1.536 -7.775 26.223 0.00 0.00 WAT1 ATOM 4203 H2 TIP3 741 2.745 -7.364 25.410 0.00 0.00 WAT1 ATOM 4204 OH2 TIP3 742 10.054 -15.465 35.935 0.00 0.00 WAT1 ATOM 4205 H1 TIP3 742 10.752 -15.391 36.585 0.00 0.00 WAT1 ATOM 4206 H2 TIP3 742 9.673 -16.329 36.090 0.00 0.00 WAT1 ATOM 4207 OH2 TIP3 743 14.778 -15.192 37.887 0.00 0.00 WAT1 ATOM 4208 H1 TIP3 743 13.862 -14.929 37.799 0.00 0.00 WAT1 ATOM 4209 H2 TIP3 743 15.114 -15.195 36.990 0.00 0.00 WAT1 ATOM 4210 OH2 TIP3 744 13.380 -11.441 31.983 0.00 0.00 WAT1 ATOM 4211 H1 TIP3 744 12.583 -11.856 31.654 0.00 0.00 WAT1 ATOM 4212 H2 TIP3 744 13.825 -12.132 32.474 0.00 0.00 WAT1 ATOM 4213 OH2 TIP3 745 1.154 -12.849 23.669 0.00 0.00 WAT1 ATOM 4214 H1 TIP3 745 1.109 -11.910 23.848 0.00 0.00 WAT1 ATOM 4215 H2 TIP3 745 0.266 -13.085 23.399 0.00 0.00 WAT1 ATOM 4216 OH2 TIP3 746 5.578 -9.388 25.225 0.00 0.00 WAT1 ATOM 4217 H1 TIP3 746 5.119 -9.872 25.911 0.00 0.00 WAT1 ATOM 4218 H2 TIP3 746 5.833 -10.056 24.589 0.00 0.00 WAT1 ATOM 4219 OH2 TIP3 747 6.649 -11.145 23.488 0.00 0.00 WAT1 ATOM 4220 H1 TIP3 747 6.469 -11.299 22.560 0.00 0.00 WAT1 ATOM 4221 H2 TIP3 747 7.600 -11.037 23.532 0.00 0.00 WAT1 ATOM 4222 OH2 TIP3 748 16.039 -8.790 22.933 0.00 0.00 WAT1 ATOM 4223 H1 TIP3 748 15.766 -9.215 22.120 0.00 0.00 WAT1 ATOM 4224 H2 TIP3 748 16.079 -7.859 22.716 0.00 0.00 WAT1 ATOM 4225 OH2 TIP3 749 5.619 -15.770 36.156 0.00 0.00 WAT1 ATOM 4226 H1 TIP3 749 6.155 -15.319 35.504 0.00 0.00 WAT1 ATOM 4227 H2 TIP3 749 4.767 -15.878 35.734 0.00 0.00 WAT1 ATOM 4228 OH2 TIP3 750 6.425 -18.314 36.588 0.00 0.00 WAT1 ATOM 4229 H1 TIP3 750 6.327 -17.367 36.482 0.00 0.00 WAT1 ATOM 4230 H2 TIP3 750 5.682 -18.686 36.112 0.00 0.00 WAT1 ATOM 4231 OH2 TIP3 751 6.647 -19.020 39.259 0.00 0.00 WAT1 ATOM 4232 H1 TIP3 751 7.359 -19.660 39.245 0.00 0.00 WAT1 ATOM 4233 H2 TIP3 751 6.546 -18.753 38.345 0.00 0.00 WAT1 ATOM 4234 OH2 TIP3 752 16.498 -7.921 26.908 0.00 0.00 WAT1 ATOM 4235 H1 TIP3 752 17.348 -7.500 27.036 0.00 0.00 WAT1 ATOM 4236 H2 TIP3 752 16.503 -8.661 27.516 0.00 0.00 WAT1 ATOM 4237 OH2 TIP3 753 16.651 -7.083 33.680 0.00 0.00 WAT1 ATOM 4238 H1 TIP3 753 17.485 -7.461 33.399 0.00 0.00 WAT1 ATOM 4239 H2 TIP3 753 16.763 -6.140 33.561 0.00 0.00 WAT1 ATOM 4240 OH2 TIP3 754 17.032 -11.474 39.618 0.00 0.00 WAT1 ATOM 4241 H1 TIP3 754 16.169 -11.853 39.453 0.00 0.00 WAT1 ATOM 4242 H2 TIP3 754 17.636 -12.213 39.544 0.00 0.00 WAT1 ATOM 4243 OH2 TIP3 755 15.030 -12.446 35.969 0.00 0.00 WAT1 ATOM 4244 H1 TIP3 755 14.187 -12.178 36.335 0.00 0.00 WAT1 ATOM 4245 H2 TIP3 755 15.473 -11.624 35.758 0.00 0.00 WAT1 ATOM 4246 OH2 TIP3 756 17.313 -18.466 41.323 0.00 0.00 WAT1 ATOM 4247 H1 TIP3 756 17.663 -19.120 40.717 0.00 0.00 WAT1 ATOM 4248 H2 TIP3 756 17.460 -17.629 40.883 0.00 0.00 WAT1 ATOM 4249 OH2 TIP3 757 0.533 -15.686 32.337 0.00 0.00 WAT1 ATOM 4250 H1 TIP3 757 0.978 -16.478 32.639 0.00 0.00 WAT1 ATOM 4251 H2 TIP3 757 0.999 -14.970 32.768 0.00 0.00 WAT1 ATOM 4252 OH2 TIP3 758 -1.163 -12.687 33.406 0.00 0.00 WAT1 ATOM 4253 H1 TIP3 758 -0.671 -12.908 32.616 0.00 0.00 WAT1 ATOM 4254 H2 TIP3 758 -0.801 -11.846 33.687 0.00 0.00 WAT1 ATOM 4255 OH2 TIP3 759 16.833 -16.357 39.672 0.00 0.00 WAT1 ATOM 4256 H1 TIP3 759 15.916 -16.086 39.636 0.00 0.00 WAT1 ATOM 4257 H2 TIP3 759 16.956 -16.892 38.888 0.00 0.00 WAT1 ATOM 4258 OH2 TIP3 760 -0.850 -16.429 27.461 0.00 0.00 WAT1 ATOM 4259 H1 TIP3 760 -1.775 -16.220 27.331 0.00 0.00 WAT1 ATOM 4260 H2 TIP3 760 -0.396 -15.945 26.771 0.00 0.00 WAT1 ATOM 4261 OH2 TIP3 761 -0.886 -17.691 35.805 0.00 0.00 WAT1 ATOM 4262 H1 TIP3 761 -1.551 -17.937 36.448 0.00 0.00 WAT1 ATOM 4263 H2 TIP3 761 -1.329 -17.069 35.228 0.00 0.00 WAT1 ATOM 4264 OH2 TIP3 762 1.548 -17.670 39.153 0.00 0.00 WAT1 ATOM 4265 H1 TIP3 762 1.182 -18.435 39.596 0.00 0.00 WAT1 ATOM 4266 H2 TIP3 762 2.461 -17.641 39.440 0.00 0.00 WAT1 ATOM 4267 OH2 TIP3 763 16.654 3.117 -3.432 0.00 0.00 WAT1 ATOM 4268 H1 TIP3 763 16.703 3.727 -2.696 0.00 0.00 WAT1 ATOM 4269 H2 TIP3 763 17.080 3.578 -4.155 0.00 0.00 WAT1 ATOM 4270 OH2 TIP3 764 17.046 4.595 -1.196 0.00 0.00 WAT1 ATOM 4271 H1 TIP3 764 16.357 5.253 -1.291 0.00 0.00 WAT1 ATOM 4272 H2 TIP3 764 17.061 4.398 -0.259 0.00 0.00 WAT1 ATOM 4273 OH2 TIP3 765 14.120 2.148 -2.632 0.00 0.00 WAT1 ATOM 4274 H1 TIP3 765 13.384 2.759 -2.670 0.00 0.00 WAT1 ATOM 4275 H2 TIP3 765 14.804 2.563 -3.158 0.00 0.00 WAT1 ATOM 4276 OH2 TIP3 766 7.123 0.235 -5.166 0.00 0.00 WAT1 ATOM 4277 H1 TIP3 766 7.006 -0.714 -5.220 0.00 0.00 WAT1 ATOM 4278 H2 TIP3 766 6.268 0.567 -4.893 0.00 0.00 WAT1 ATOM 4279 OH2 TIP3 767 4.392 1.138 -4.388 0.00 0.00 WAT1 ATOM 4280 H1 TIP3 767 3.531 1.051 -4.796 0.00 0.00 WAT1 ATOM 4281 H2 TIP3 767 4.370 1.994 -3.961 0.00 0.00 WAT1 ATOM 4282 OH2 TIP3 768 12.381 4.616 -0.160 0.00 0.00 WAT1 ATOM 4283 H1 TIP3 768 11.867 4.490 0.637 0.00 0.00 WAT1 ATOM 4284 H2 TIP3 768 12.226 5.528 -0.405 0.00 0.00 WAT1 ATOM 4285 OH2 TIP3 769 11.467 2.987 -4.031 0.00 0.00 WAT1 ATOM 4286 H1 TIP3 769 10.790 3.118 -3.367 0.00 0.00 WAT1 ATOM 4287 H2 TIP3 769 10.981 2.832 -4.841 0.00 0.00 WAT1 ATOM 4288 OH2 TIP3 770 10.054 3.391 -1.777 0.00 0.00 WAT1 ATOM 4289 H1 TIP3 770 10.752 3.465 -1.127 0.00 0.00 WAT1 ATOM 4290 H2 TIP3 770 9.673 2.527 -1.622 0.00 0.00 WAT1 ATOM 4291 OH2 TIP3 771 14.778 3.664 0.175 0.00 0.00 WAT1 ATOM 4292 H1 TIP3 771 13.862 3.927 0.087 0.00 0.00 WAT1 ATOM 4293 H2 TIP3 771 15.114 3.661 -0.722 0.00 0.00 WAT1 ATOM 4294 OH2 TIP3 772 5.207 4.716 0.952 0.00 0.00 WAT1 ATOM 4295 H1 TIP3 772 5.357 3.987 0.349 0.00 0.00 WAT1 ATOM 4296 H2 TIP3 772 5.209 5.493 0.393 0.00 0.00 WAT1 ATOM 4297 OH2 TIP3 773 5.619 3.086 -1.556 0.00 0.00 WAT1 ATOM 4298 H1 TIP3 773 6.155 3.537 -2.208 0.00 0.00 WAT1 ATOM 4299 H2 TIP3 773 4.767 2.978 -1.978 0.00 0.00 WAT1 ATOM 4300 OH2 TIP3 774 7.689 4.864 2.439 0.00 0.00 WAT1 ATOM 4301 H1 TIP3 774 7.453 4.644 3.341 0.00 0.00 WAT1 ATOM 4302 H2 TIP3 774 6.906 4.657 1.930 0.00 0.00 WAT1 ATOM 4303 OH2 TIP3 775 10.405 3.991 1.515 0.00 0.00 WAT1 ATOM 4304 H1 TIP3 775 9.457 4.023 1.647 0.00 0.00 WAT1 ATOM 4305 H2 TIP3 775 10.717 3.366 2.169 0.00 0.00 WAT1 ATOM 4306 OH2 TIP3 776 12.039 2.625 3.520 0.00 0.00 WAT1 ATOM 4307 H1 TIP3 776 11.942 1.673 3.514 0.00 0.00 WAT1 ATOM 4308 H2 TIP3 776 11.717 2.894 4.381 0.00 0.00 WAT1 ATOM 4309 OH2 TIP3 777 7.000 1.519 3.601 0.00 0.00 WAT1 ATOM 4310 H1 TIP3 777 6.869 1.043 2.780 0.00 0.00 WAT1 ATOM 4311 H2 TIP3 777 6.401 2.263 3.545 0.00 0.00 WAT1 ATOM 4312 OH2 TIP3 778 16.833 2.499 1.960 0.00 0.00 WAT1 ATOM 4313 H1 TIP3 778 15.916 2.770 1.924 0.00 0.00 WAT1 ATOM 4314 H2 TIP3 778 16.956 1.964 1.176 0.00 0.00 WAT1 ATOM 4315 OH2 TIP3 779 15.834 0.589 -0.221 0.00 0.00 WAT1 ATOM 4316 H1 TIP3 779 15.021 0.914 -0.609 0.00 0.00 WAT1 ATOM 4317 H2 TIP3 779 16.067 -0.171 -0.754 0.00 0.00 WAT1 ATOM 4318 OH2 TIP3 780 9.264 2.038 -5.898 0.00 0.00 WAT1 ATOM 4319 H1 TIP3 780 8.589 1.409 -5.643 0.00 0.00 WAT1 ATOM 4320 H2 TIP3 780 9.828 1.554 -6.501 0.00 0.00 WAT1 ATOM 4321 OH2 TIP3 781 14.406 0.145 -5.786 0.00 0.00 WAT1 ATOM 4322 H1 TIP3 781 15.010 0.693 -6.287 0.00 0.00 WAT1 ATOM 4323 H2 TIP3 781 13.537 0.465 -6.026 0.00 0.00 WAT1 ATOM 4324 OH2 TIP3 782 16.133 1.284 -7.452 0.00 0.00 WAT1 ATOM 4325 H1 TIP3 782 16.745 0.770 -7.979 0.00 0.00 WAT1 ATOM 4326 H2 TIP3 782 16.516 2.162 -7.429 0.00 0.00 WAT1 ATOM 4327 OH2 TIP3 783 11.727 0.629 -6.614 0.00 0.00 WAT1 ATOM 4328 H1 TIP3 783 11.803 0.724 -7.563 0.00 0.00 WAT1 ATOM 4329 H2 TIP3 783 11.451 -0.279 -6.485 0.00 0.00 WAT1 ATOM 4330 OH2 TIP3 784 1.548 1.186 1.441 0.00 0.00 WAT1 ATOM 4331 H1 TIP3 784 1.182 0.421 1.884 0.00 0.00 WAT1 ATOM 4332 H2 TIP3 784 2.461 1.215 1.728 0.00 0.00 WAT1 ATOM 4333 OH2 TIP3 785 3.521 0.537 2.977 0.00 0.00 WAT1 ATOM 4334 H1 TIP3 785 4.420 0.263 2.792 0.00 0.00 WAT1 ATOM 4335 H2 TIP3 785 3.135 -0.206 3.441 0.00 0.00 WAT1 ATOM 4336 OH2 TIP3 786 15.365 0.194 6.640 0.00 0.00 WAT1 ATOM 4337 H1 TIP3 786 14.466 0.333 6.935 0.00 0.00 WAT1 ATOM 4338 H2 TIP3 786 15.617 1.025 6.238 0.00 0.00 WAT1 ATOM 4339 OH2 TIP3 787 8.717 3.353 5.127 0.00 0.00 WAT1 ATOM 4340 H1 TIP3 787 8.463 3.372 6.050 0.00 0.00 WAT1 ATOM 4341 H2 TIP3 787 8.460 2.481 4.826 0.00 0.00 WAT1 ATOM 4342 OH2 TIP3 788 5.599 3.798 4.228 0.00 0.00 WAT1 ATOM 4343 H1 TIP3 788 5.168 3.353 4.958 0.00 0.00 WAT1 ATOM 4344 H2 TIP3 788 4.881 4.170 3.716 0.00 0.00 WAT1 ATOM 4345 OH2 TIP3 789 14.757 3.537 3.935 0.00 0.00 WAT1 ATOM 4346 H1 TIP3 789 15.367 3.165 4.572 0.00 0.00 WAT1 ATOM 4347 H2 TIP3 789 13.920 3.115 4.131 0.00 0.00 WAT1 ATOM 4348 OH2 TIP3 790 15.003 2.355 8.950 0.00 0.00 WAT1 ATOM 4349 H1 TIP3 790 15.185 1.906 9.775 0.00 0.00 WAT1 ATOM 4350 H2 TIP3 790 14.403 1.770 8.486 0.00 0.00 WAT1 ATOM 4351 OH2 TIP3 791 16.869 2.422 5.478 0.00 0.00 WAT1 ATOM 4352 H1 TIP3 791 17.282 1.701 5.002 0.00 0.00 WAT1 ATOM 4353 H2 TIP3 791 17.551 3.092 5.536 0.00 0.00 WAT1 ATOM 4354 OH2 TIP3 792 16.133 1.284 11.404 0.00 0.00 WAT1 ATOM 4355 H1 TIP3 792 16.745 0.770 10.877 0.00 0.00 WAT1 ATOM 4356 H2 TIP3 792 16.516 2.162 11.427 0.00 0.00 WAT1 ATOM 4357 OH2 TIP3 793 13.080 0.655 7.935 0.00 0.00 WAT1 ATOM 4358 H1 TIP3 793 12.377 1.269 7.725 0.00 0.00 WAT1 ATOM 4359 H2 TIP3 793 12.635 -0.183 8.066 0.00 0.00 WAT1 ATOM 4360 OH2 TIP3 794 21.750 -43.420 14.285 0.00 0.00 WAT1 ATOM 4361 H1 TIP3 794 21.380 -44.222 13.916 0.00 0.00 WAT1 ATOM 4362 H2 TIP3 794 22.691 -43.589 14.332 0.00 0.00 WAT1 ATOM 4363 OH2 TIP3 795 26.847 -45.052 14.563 0.00 0.00 WAT1 ATOM 4364 H1 TIP3 795 27.151 -45.738 13.969 0.00 0.00 WAT1 ATOM 4365 H2 TIP3 795 27.569 -44.934 15.181 0.00 0.00 WAT1 ATOM 4366 OH2 TIP3 796 24.522 -45.963 16.525 0.00 0.00 WAT1 ATOM 4367 H1 TIP3 796 23.782 -45.365 16.628 0.00 0.00 WAT1 ATOM 4368 H2 TIP3 796 25.236 -45.409 16.209 0.00 0.00 WAT1 ATOM 4369 OH2 TIP3 797 24.664 -43.228 13.706 0.00 0.00 WAT1 ATOM 4370 H1 TIP3 797 24.569 -43.806 12.949 0.00 0.00 WAT1 ATOM 4371 H2 TIP3 797 25.393 -43.599 14.202 0.00 0.00 WAT1 ATOM 4372 OH2 TIP3 798 21.464 -47.290 18.604 0.00 0.00 WAT1 ATOM 4373 H1 TIP3 798 21.534 -46.639 19.302 0.00 0.00 WAT1 ATOM 4374 H2 TIP3 798 20.573 -47.187 18.269 0.00 0.00 WAT1 ATOM 4375 OH2 TIP3 799 18.380 -45.223 17.429 0.00 0.00 WAT1 ATOM 4376 H1 TIP3 799 17.879 -45.251 16.614 0.00 0.00 WAT1 ATOM 4377 H2 TIP3 799 18.386 -46.129 17.739 0.00 0.00 WAT1 ATOM 4378 OH2 TIP3 800 27.307 -42.203 18.871 0.00 0.00 WAT1 ATOM 4379 H1 TIP3 800 27.394 -41.377 19.346 0.00 0.00 WAT1 ATOM 4380 H2 TIP3 800 26.443 -42.533 19.120 0.00 0.00 WAT1 ATOM 4381 OH2 TIP3 801 21.375 -39.642 10.458 0.00 0.00 WAT1 ATOM 4382 H1 TIP3 801 21.527 -39.990 11.337 0.00 0.00 WAT1 ATOM 4383 H2 TIP3 801 20.524 -39.998 10.203 0.00 0.00 WAT1 ATOM 4384 OH2 TIP3 802 20.629 -43.900 18.472 0.00 0.00 WAT1 ATOM 4385 H1 TIP3 802 20.846 -44.261 19.332 0.00 0.00 WAT1 ATOM 4386 H2 TIP3 802 19.774 -44.274 18.262 0.00 0.00 WAT1 ATOM 4387 OH2 TIP3 803 21.208 -45.435 20.710 0.00 0.00 WAT1 ATOM 4388 H1 TIP3 803 21.941 -45.181 21.271 0.00 0.00 WAT1 ATOM 4389 H2 TIP3 803 20.428 -45.231 21.225 0.00 0.00 WAT1 ATOM 4390 OH2 TIP3 804 27.928 -45.243 18.784 0.00 0.00 WAT1 ATOM 4391 H1 TIP3 804 27.582 -45.624 19.590 0.00 0.00 WAT1 ATOM 4392 H2 TIP3 804 27.728 -44.309 18.855 0.00 0.00 WAT1 ATOM 4393 OH2 TIP3 805 21.533 -46.132 13.316 0.00 0.00 WAT1 ATOM 4394 H1 TIP3 805 22.278 -46.134 12.715 0.00 0.00 WAT1 ATOM 4395 H2 TIP3 805 21.611 -46.956 13.798 0.00 0.00 WAT1 ATOM 4396 OH2 TIP3 806 18.541 -47.671 18.631 0.00 0.00 WAT1 ATOM 4397 H1 TIP3 806 18.764 -48.089 19.463 0.00 0.00 WAT1 ATOM 4398 H2 TIP3 806 17.939 -48.284 18.209 0.00 0.00 WAT1 ATOM 4399 OH2 TIP3 807 25.558 -48.154 20.844 0.00 0.00 WAT1 ATOM 4400 H1 TIP3 807 25.262 -48.320 19.949 0.00 0.00 WAT1 ATOM 4401 H2 TIP3 807 26.489 -48.374 20.834 0.00 0.00 WAT1 ATOM 4402 OH2 TIP3 808 30.178 -42.781 18.734 0.00 0.00 WAT1 ATOM 4403 H1 TIP3 808 29.277 -42.598 18.466 0.00 0.00 WAT1 ATOM 4404 H2 TIP3 808 30.212 -42.522 19.655 0.00 0.00 WAT1 ATOM 4405 OH2 TIP3 809 23.908 -42.614 10.721 0.00 0.00 WAT1 ATOM 4406 H1 TIP3 809 24.435 -41.841 10.520 0.00 0.00 WAT1 ATOM 4407 H2 TIP3 809 23.028 -42.389 10.419 0.00 0.00 WAT1 ATOM 4408 OH2 TIP3 810 25.850 -40.802 16.612 0.00 0.00 WAT1 ATOM 4409 H1 TIP3 810 26.213 -39.947 16.379 0.00 0.00 WAT1 ATOM 4410 H2 TIP3 810 26.382 -41.094 17.353 0.00 0.00 WAT1 ATOM 4411 OH2 TIP3 811 24.019 -39.929 9.842 0.00 0.00 WAT1 ATOM 4412 H1 TIP3 811 23.069 -39.824 9.894 0.00 0.00 WAT1 ATOM 4413 H2 TIP3 811 24.370 -39.109 10.187 0.00 0.00 WAT1 ATOM 4414 OH2 TIP3 812 29.394 -44.703 16.313 0.00 0.00 WAT1 ATOM 4415 H1 TIP3 812 28.968 -44.930 17.139 0.00 0.00 WAT1 ATOM 4416 H2 TIP3 812 29.975 -45.441 16.130 0.00 0.00 WAT1 ATOM 4417 OH2 TIP3 813 32.053 -40.151 18.782 0.00 0.00 WAT1 ATOM 4418 H1 TIP3 813 31.451 -40.706 18.287 0.00 0.00 WAT1 ATOM 4419 H2 TIP3 813 32.334 -39.484 18.156 0.00 0.00 WAT1 ATOM 4420 OH2 TIP3 814 19.748 -41.839 9.647 0.00 0.00 WAT1 ATOM 4421 H1 TIP3 814 18.916 -41.366 9.674 0.00 0.00 WAT1 ATOM 4422 H2 TIP3 814 20.294 -41.329 9.048 0.00 0.00 WAT1 ATOM 4423 OH2 TIP3 815 30.211 -41.927 21.326 0.00 0.00 WAT1 ATOM 4424 H1 TIP3 815 29.860 -42.783 21.569 0.00 0.00 WAT1 ATOM 4425 H2 TIP3 815 30.937 -41.784 21.933 0.00 0.00 WAT1 ATOM 4426 OH2 TIP3 816 18.944 -45.416 21.931 0.00 0.00 WAT1 ATOM 4427 H1 TIP3 816 19.088 -46.318 21.645 0.00 0.00 WAT1 ATOM 4428 H2 TIP3 816 18.171 -45.130 21.443 0.00 0.00 WAT1 ATOM 4429 OH2 TIP3 817 25.599 -45.446 21.364 0.00 0.00 WAT1 ATOM 4430 H1 TIP3 817 25.271 -45.175 20.506 0.00 0.00 WAT1 ATOM 4431 H2 TIP3 817 25.751 -46.387 21.276 0.00 0.00 WAT1 ATOM 4432 OH2 TIP3 818 19.776 -48.216 21.351 0.00 0.00 WAT1 ATOM 4433 H1 TIP3 818 20.184 -49.073 21.230 0.00 0.00 WAT1 ATOM 4434 H2 TIP3 818 19.516 -48.201 22.272 0.00 0.00 WAT1 ATOM 4435 OH2 TIP3 819 23.723 -49.207 18.725 0.00 0.00 WAT1 ATOM 4436 H1 TIP3 819 23.105 -48.532 19.006 0.00 0.00 WAT1 ATOM 4437 H2 TIP3 819 24.067 -48.886 17.892 0.00 0.00 WAT1 ATOM 4438 OH2 TIP3 820 28.743 -46.736 22.003 0.00 0.00 WAT1 ATOM 4439 H1 TIP3 820 29.696 -46.652 21.975 0.00 0.00 WAT1 ATOM 4440 H2 TIP3 820 28.583 -47.447 22.622 0.00 0.00 WAT1 ATOM 4441 OH2 TIP3 821 26.057 -48.043 17.540 0.00 0.00 WAT1 ATOM 4442 H1 TIP3 821 26.808 -48.199 16.967 0.00 0.00 WAT1 ATOM 4443 H2 TIP3 821 25.718 -47.191 17.264 0.00 0.00 WAT1 ATOM 4444 OH2 TIP3 822 17.620 -38.137 10.193 0.00 0.00 WAT1 ATOM 4445 H1 TIP3 822 16.973 -38.599 9.660 0.00 0.00 WAT1 ATOM 4446 H2 TIP3 822 17.975 -38.809 10.776 0.00 0.00 WAT1 ATOM 4447 OH2 TIP3 823 18.570 -46.981 14.449 0.00 0.00 WAT1 ATOM 4448 H1 TIP3 823 18.754 -47.063 13.514 0.00 0.00 WAT1 ATOM 4449 H2 TIP3 823 19.419 -47.105 14.873 0.00 0.00 WAT1 ATOM 4450 OH2 TIP3 824 29.772 -38.569 19.555 0.00 0.00 WAT1 ATOM 4451 H1 TIP3 824 30.449 -39.201 19.315 0.00 0.00 WAT1 ATOM 4452 H2 TIP3 824 30.094 -38.167 20.363 0.00 0.00 WAT1 ATOM 4453 OH2 TIP3 825 27.696 -38.509 15.605 0.00 0.00 WAT1 ATOM 4454 H1 TIP3 825 27.239 -37.980 14.951 0.00 0.00 WAT1 ATOM 4455 H2 TIP3 825 27.859 -37.906 16.330 0.00 0.00 WAT1 ATOM 4456 OH2 TIP3 826 30.023 -39.631 16.550 0.00 0.00 WAT1 ATOM 4457 H1 TIP3 826 29.119 -39.466 16.284 0.00 0.00 WAT1 ATOM 4458 H2 TIP3 826 30.452 -38.778 16.484 0.00 0.00 WAT1 ATOM 4459 OH2 TIP3 827 22.074 -40.664 12.965 0.00 0.00 WAT1 ATOM 4460 H1 TIP3 827 21.855 -41.580 13.134 0.00 0.00 WAT1 ATOM 4461 H2 TIP3 827 22.898 -40.524 13.431 0.00 0.00 WAT1 ATOM 4462 OH2 TIP3 828 24.611 -40.194 13.813 0.00 0.00 WAT1 ATOM 4463 H1 TIP3 828 24.824 -41.082 13.526 0.00 0.00 WAT1 ATOM 4464 H2 TIP3 828 24.676 -40.228 14.768 0.00 0.00 WAT1 ATOM 4465 OH2 TIP3 829 20.826 -47.870 34.606 0.00 0.00 WAT1 ATOM 4466 H1 TIP3 829 20.868 -48.496 35.330 0.00 0.00 WAT1 ATOM 4467 H2 TIP3 829 21.529 -47.247 34.788 0.00 0.00 WAT1 ATOM 4468 OH2 TIP3 830 18.360 -49.760 28.534 0.00 0.00 WAT1 ATOM 4469 H1 TIP3 830 17.912 -48.914 28.516 0.00 0.00 WAT1 ATOM 4470 H2 TIP3 830 17.799 -50.340 28.019 0.00 0.00 WAT1 ATOM 4471 OH2 TIP3 831 19.070 -47.598 30.660 0.00 0.00 WAT1 ATOM 4472 H1 TIP3 831 19.284 -48.368 31.187 0.00 0.00 WAT1 ATOM 4473 H2 TIP3 831 19.808 -47.509 30.057 0.00 0.00 WAT1 ATOM 4474 OH2 TIP3 832 29.275 -39.441 31.527 0.00 0.00 WAT1 ATOM 4475 H1 TIP3 832 29.895 -40.118 31.254 0.00 0.00 WAT1 ATOM 4476 H2 TIP3 832 29.067 -39.659 32.435 0.00 0.00 WAT1 ATOM 4477 OH2 TIP3 833 26.847 -45.052 33.419 0.00 0.00 WAT1 ATOM 4478 H1 TIP3 833 27.151 -45.738 32.825 0.00 0.00 WAT1 ATOM 4479 H2 TIP3 833 27.569 -44.934 34.037 0.00 0.00 WAT1 ATOM 4480 OH2 TIP3 834 19.763 -50.160 31.781 0.00 0.00 WAT1 ATOM 4481 H1 TIP3 834 20.417 -50.710 32.213 0.00 0.00 WAT1 ATOM 4482 H2 TIP3 834 19.787 -50.434 30.865 0.00 0.00 WAT1 ATOM 4483 OH2 TIP3 835 24.919 -48.610 30.997 0.00 0.00 WAT1 ATOM 4484 H1 TIP3 835 25.535 -49.136 31.506 0.00 0.00 WAT1 ATOM 4485 H2 TIP3 835 24.333 -49.250 30.593 0.00 0.00 WAT1 ATOM 4486 OH2 TIP3 836 29.322 -44.139 28.637 0.00 0.00 WAT1 ATOM 4487 H1 TIP3 836 29.026 -44.461 27.786 0.00 0.00 WAT1 ATOM 4488 H2 TIP3 836 28.998 -43.239 28.679 0.00 0.00 WAT1 ATOM 4489 OH2 TIP3 837 24.522 -45.963 35.381 0.00 0.00 WAT1 ATOM 4490 H1 TIP3 837 23.782 -45.365 35.484 0.00 0.00 WAT1 ATOM 4491 H2 TIP3 837 25.236 -45.409 35.065 0.00 0.00 WAT1 ATOM 4492 OH2 TIP3 838 30.928 -40.925 30.288 0.00 0.00 WAT1 ATOM 4493 H1 TIP3 838 31.353 -41.632 29.803 0.00 0.00 WAT1 ATOM 4494 H2 TIP3 838 31.245 -40.124 29.871 0.00 0.00 WAT1 ATOM 4495 OH2 TIP3 839 23.297 -46.656 29.881 0.00 0.00 WAT1 ATOM 4496 H1 TIP3 839 22.967 -47.026 29.062 0.00 0.00 WAT1 ATOM 4497 H2 TIP3 839 23.885 -47.326 30.227 0.00 0.00 WAT1 ATOM 4498 OH2 TIP3 840 23.664 -47.887 33.514 0.00 0.00 WAT1 ATOM 4499 H1 TIP3 840 24.229 -47.766 32.751 0.00 0.00 WAT1 ATOM 4500 H2 TIP3 840 23.983 -47.250 34.153 0.00 0.00 WAT1 ATOM 4501 OH2 TIP3 841 29.973 -42.384 34.248 0.00 0.00 WAT1 ATOM 4502 H1 TIP3 841 29.732 -41.722 34.896 0.00 0.00 WAT1 ATOM 4503 H2 TIP3 841 29.775 -43.218 34.673 0.00 0.00 WAT1 ATOM 4504 OH2 TIP3 842 24.544 -43.488 38.231 0.00 0.00 WAT1 ATOM 4505 H1 TIP3 842 24.232 -42.706 38.687 0.00 0.00 WAT1 ATOM 4506 H2 TIP3 842 23.894 -43.641 37.545 0.00 0.00 WAT1 ATOM 4507 OH2 TIP3 843 21.464 -47.290 37.460 0.00 0.00 WAT1 ATOM 4508 H1 TIP3 843 21.534 -46.639 38.158 0.00 0.00 WAT1 ATOM 4509 H2 TIP3 843 20.573 -47.187 37.125 0.00 0.00 WAT1 ATOM 4510 OH2 TIP3 844 28.249 -41.387 29.118 0.00 0.00 WAT1 ATOM 4511 H1 TIP3 844 28.723 -41.092 29.896 0.00 0.00 WAT1 ATOM 4512 H2 TIP3 844 27.686 -40.649 28.885 0.00 0.00 WAT1 ATOM 4513 OH2 TIP3 845 22.287 -47.586 27.470 0.00 0.00 WAT1 ATOM 4514 H1 TIP3 845 21.995 -46.818 26.979 0.00 0.00 WAT1 ATOM 4515 H2 TIP3 845 21.613 -48.246 27.307 0.00 0.00 WAT1 ATOM 4516 OH2 TIP3 846 27.307 -42.203 37.727 0.00 0.00 WAT1 ATOM 4517 H1 TIP3 846 27.394 -41.377 38.202 0.00 0.00 WAT1 ATOM 4518 H2 TIP3 846 26.443 -42.533 37.976 0.00 0.00 WAT1 ATOM 4519 OH2 TIP3 847 30.823 -39.277 24.536 0.00 0.00 WAT1 ATOM 4520 H1 TIP3 847 31.198 -40.021 24.065 0.00 0.00 WAT1 ATOM 4521 H2 TIP3 847 30.827 -39.547 25.454 0.00 0.00 WAT1 ATOM 4522 OH2 TIP3 848 30.492 -39.351 27.285 0.00 0.00 WAT1 ATOM 4523 H1 TIP3 848 29.557 -39.251 27.464 0.00 0.00 WAT1 ATOM 4524 H2 TIP3 848 30.772 -40.060 27.863 0.00 0.00 WAT1 ATOM 4525 OH2 TIP3 849 21.208 -45.435 39.566 0.00 0.00 WAT1 ATOM 4526 H1 TIP3 849 21.941 -45.181 40.127 0.00 0.00 WAT1 ATOM 4527 H2 TIP3 849 20.428 -45.231 40.081 0.00 0.00 WAT1 ATOM 4528 OH2 TIP3 850 26.408 -45.427 26.403 0.00 0.00 WAT1 ATOM 4529 H1 TIP3 850 25.664 -45.934 26.080 0.00 0.00 WAT1 ATOM 4530 H2 TIP3 850 26.274 -45.378 27.349 0.00 0.00 WAT1 ATOM 4531 OH2 TIP3 851 27.928 -45.243 37.640 0.00 0.00 WAT1 ATOM 4532 H1 TIP3 851 27.582 -45.624 38.446 0.00 0.00 WAT1 ATOM 4533 H2 TIP3 851 27.728 -44.309 37.711 0.00 0.00 WAT1 ATOM 4534 OH2 TIP3 852 28.534 -43.968 25.428 0.00 0.00 WAT1 ATOM 4535 H1 TIP3 852 28.239 -43.142 25.810 0.00 0.00 WAT1 ATOM 4536 H2 TIP3 852 27.831 -44.588 25.624 0.00 0.00 WAT1 ATOM 4537 OH2 TIP3 853 18.541 -47.671 37.487 0.00 0.00 WAT1 ATOM 4538 H1 TIP3 853 18.764 -48.089 38.319 0.00 0.00 WAT1 ATOM 4539 H2 TIP3 853 17.939 -48.284 37.065 0.00 0.00 WAT1 ATOM 4540 OH2 TIP3 854 19.663 -47.752 24.164 0.00 0.00 WAT1 ATOM 4541 H1 TIP3 854 20.279 -47.125 24.543 0.00 0.00 WAT1 ATOM 4542 H2 TIP3 854 18.801 -47.436 24.435 0.00 0.00 WAT1 ATOM 4543 OH2 TIP3 855 25.335 -44.951 29.153 0.00 0.00 WAT1 ATOM 4544 H1 TIP3 855 25.094 -44.026 29.195 0.00 0.00 WAT1 ATOM 4545 H2 TIP3 855 24.595 -45.410 29.549 0.00 0.00 WAT1 ATOM 4546 OH2 TIP3 856 29.394 -44.703 35.169 0.00 0.00 WAT1 ATOM 4547 H1 TIP3 856 28.968 -44.930 35.995 0.00 0.00 WAT1 ATOM 4548 H2 TIP3 856 29.975 -45.441 34.986 0.00 0.00 WAT1 ATOM 4549 OH2 TIP3 857 21.078 -45.839 25.656 0.00 0.00 WAT1 ATOM 4550 H1 TIP3 857 20.392 -45.487 26.223 0.00 0.00 WAT1 ATOM 4551 H2 TIP3 857 21.601 -45.076 25.410 0.00 0.00 WAT1 ATOM 4552 OH2 TIP3 858 23.634 -40.307 41.453 0.00 0.00 WAT1 ATOM 4553 H1 TIP3 858 24.402 -40.766 41.794 0.00 0.00 WAT1 ATOM 4554 H2 TIP3 858 23.613 -40.533 40.523 0.00 0.00 WAT1 ATOM 4555 OH2 TIP3 859 27.726 -40.799 22.828 0.00 0.00 WAT1 ATOM 4556 H1 TIP3 859 27.082 -41.430 23.150 0.00 0.00 WAT1 ATOM 4557 H2 TIP3 859 28.488 -41.330 22.596 0.00 0.00 WAT1 ATOM 4558 OH2 TIP3 860 18.944 -45.416 40.787 0.00 0.00 WAT1 ATOM 4559 H1 TIP3 860 19.088 -46.318 40.501 0.00 0.00 WAT1 ATOM 4560 H2 TIP3 860 18.171 -45.130 40.299 0.00 0.00 WAT1 ATOM 4561 OH2 TIP3 861 23.285 -45.072 22.919 0.00 0.00 WAT1 ATOM 4562 H1 TIP3 861 23.349 -45.866 23.450 0.00 0.00 WAT1 ATOM 4563 H2 TIP3 861 23.938 -45.191 22.230 0.00 0.00 WAT1 ATOM 4564 OH2 TIP3 862 28.637 -44.025 22.655 0.00 0.00 WAT1 ATOM 4565 H1 TIP3 862 28.369 -43.845 23.556 0.00 0.00 WAT1 ATOM 4566 H2 TIP3 862 28.431 -44.951 22.524 0.00 0.00 WAT1 ATOM 4567 OH2 TIP3 863 19.776 -48.216 40.207 0.00 0.00 WAT1 ATOM 4568 H1 TIP3 863 20.184 -49.073 40.086 0.00 0.00 WAT1 ATOM 4569 H2 TIP3 863 19.516 -48.201 41.128 0.00 0.00 WAT1 ATOM 4570 OH2 TIP3 864 24.434 -47.100 25.225 0.00 0.00 WAT1 ATOM 4571 H1 TIP3 864 23.975 -47.584 25.911 0.00 0.00 WAT1 ATOM 4572 H2 TIP3 864 24.689 -47.768 24.589 0.00 0.00 WAT1 ATOM 4573 OH2 TIP3 865 26.057 -48.043 36.396 0.00 0.00 WAT1 ATOM 4574 H1 TIP3 865 26.808 -48.199 35.823 0.00 0.00 WAT1 ATOM 4575 H2 TIP3 865 25.718 -47.191 36.120 0.00 0.00 WAT1 ATOM 4576 OH2 TIP3 866 18.570 -46.981 33.305 0.00 0.00 WAT1 ATOM 4577 H1 TIP3 866 18.754 -47.063 32.370 0.00 0.00 WAT1 ATOM 4578 H2 TIP3 866 19.419 -47.105 33.729 0.00 0.00 WAT1 ATOM 4579 OH2 TIP3 867 27.427 -39.854 39.167 0.00 0.00 WAT1 ATOM 4580 H1 TIP3 867 27.612 -40.188 40.045 0.00 0.00 WAT1 ATOM 4581 H2 TIP3 867 28.274 -39.545 38.845 0.00 0.00 WAT1 ATOM 4582 OH2 TIP3 868 27.696 -38.509 34.461 0.00 0.00 WAT1 ATOM 4583 H1 TIP3 868 27.239 -37.980 33.807 0.00 0.00 WAT1 ATOM 4584 H2 TIP3 868 27.859 -37.906 35.186 0.00 0.00 WAT1 ATOM 4585 OH2 TIP3 869 30.023 -39.631 35.406 0.00 0.00 WAT1 ATOM 4586 H1 TIP3 869 29.119 -39.466 35.140 0.00 0.00 WAT1 ATOM 4587 H2 TIP3 869 30.452 -38.778 35.340 0.00 0.00 WAT1 ATOM 4588 OH2 TIP3 870 28.048 -38.940 24.734 0.00 0.00 WAT1 ATOM 4589 H1 TIP3 870 28.914 -38.574 24.556 0.00 0.00 WAT1 ATOM 4590 H2 TIP3 870 27.801 -39.380 23.921 0.00 0.00 WAT1 ATOM 4591 OH2 TIP3 871 19.051 -44.328 45.806 0.00 0.00 WAT1 ATOM 4592 H1 TIP3 871 18.779 -44.099 44.917 0.00 0.00 WAT1 ATOM 4593 H2 TIP3 871 19.096 -43.490 46.266 0.00 0.00 WAT1 ATOM 4594 OH2 TIP3 872 21.375 -39.642 48.170 0.00 0.00 WAT1 ATOM 4595 H1 TIP3 872 21.527 -39.990 49.049 0.00 0.00 WAT1 ATOM 4596 H2 TIP3 872 20.524 -39.998 47.915 0.00 0.00 WAT1 ATOM 4597 OH2 TIP3 873 19.663 -47.752 43.020 0.00 0.00 WAT1 ATOM 4598 H1 TIP3 873 20.279 -47.125 43.399 0.00 0.00 WAT1 ATOM 4599 H2 TIP3 873 18.801 -47.436 43.291 0.00 0.00 WAT1 ATOM 4600 OH2 TIP3 874 24.019 -39.929 47.554 0.00 0.00 WAT1 ATOM 4601 H1 TIP3 874 23.069 -39.824 47.606 0.00 0.00 WAT1 ATOM 4602 H2 TIP3 874 24.370 -39.109 47.899 0.00 0.00 WAT1 ATOM 4603 OH2 TIP3 875 25.688 -42.662 41.546 0.00 0.00 WAT1 ATOM 4604 H1 TIP3 875 25.927 -43.410 40.998 0.00 0.00 WAT1 ATOM 4605 H2 TIP3 875 25.419 -43.050 42.378 0.00 0.00 WAT1 ATOM 4606 OH2 TIP3 876 24.625 -43.092 44.002 0.00 0.00 WAT1 ATOM 4607 H1 TIP3 876 24.772 -43.612 44.792 0.00 0.00 WAT1 ATOM 4608 H2 TIP3 876 24.622 -42.185 44.308 0.00 0.00 WAT1 ATOM 4609 OH2 TIP3 877 21.078 -45.839 44.512 0.00 0.00 WAT1 ATOM 4610 H1 TIP3 877 20.392 -45.487 45.079 0.00 0.00 WAT1 ATOM 4611 H2 TIP3 877 21.601 -45.076 44.266 0.00 0.00 WAT1 ATOM 4612 OH2 TIP3 878 24.701 -40.351 44.733 0.00 0.00 WAT1 ATOM 4613 H1 TIP3 878 24.862 -39.551 44.232 0.00 0.00 WAT1 ATOM 4614 H2 TIP3 878 24.504 -40.044 45.618 0.00 0.00 WAT1 ATOM 4615 OH2 TIP3 879 21.694 -43.225 43.409 0.00 0.00 WAT1 ATOM 4616 H1 TIP3 879 22.286 -42.526 43.685 0.00 0.00 WAT1 ATOM 4617 H2 TIP3 879 22.153 -43.658 42.690 0.00 0.00 WAT1 ATOM 4618 OH2 TIP3 880 19.748 -41.839 47.359 0.00 0.00 WAT1 ATOM 4619 H1 TIP3 880 18.916 -41.366 47.386 0.00 0.00 WAT1 ATOM 4620 H2 TIP3 880 20.294 -41.329 46.760 0.00 0.00 WAT1 ATOM 4621 OH2 TIP3 881 27.726 -40.799 41.684 0.00 0.00 WAT1 ATOM 4622 H1 TIP3 881 27.082 -41.430 42.006 0.00 0.00 WAT1 ATOM 4623 H2 TIP3 881 28.488 -41.330 41.452 0.00 0.00 WAT1 ATOM 4624 OH2 TIP3 882 23.285 -45.072 41.775 0.00 0.00 WAT1 ATOM 4625 H1 TIP3 882 23.349 -45.866 42.306 0.00 0.00 WAT1 ATOM 4626 H2 TIP3 882 23.938 -45.191 41.086 0.00 0.00 WAT1 ATOM 4627 OH2 TIP3 883 25.403 -38.166 43.345 0.00 0.00 WAT1 ATOM 4628 H1 TIP3 883 26.336 -38.008 43.489 0.00 0.00 WAT1 ATOM 4629 H2 TIP3 883 25.139 -37.491 42.720 0.00 0.00 WAT1 ATOM 4630 OH2 TIP3 884 17.620 -38.137 47.905 0.00 0.00 WAT1 ATOM 4631 H1 TIP3 884 16.973 -38.599 47.372 0.00 0.00 WAT1 ATOM 4632 H2 TIP3 884 17.975 -38.809 48.488 0.00 0.00 WAT1 ATOM 4633 OH2 TIP3 885 18.490 -40.056 49.710 0.00 0.00 WAT1 ATOM 4634 H1 TIP3 885 18.156 -40.937 49.882 0.00 0.00 WAT1 ATOM 4635 H2 TIP3 885 18.712 -39.711 50.574 0.00 0.00 WAT1 ATOM 4636 OH2 TIP3 886 28.048 -38.940 43.590 0.00 0.00 WAT1 ATOM 4637 H1 TIP3 886 28.914 -38.574 43.412 0.00 0.00 WAT1 ATOM 4638 H2 TIP3 886 27.801 -39.380 42.777 0.00 0.00 WAT1 ATOM 4639 OH2 TIP3 887 19.037 -20.370 2.121 0.00 0.00 WAT1 ATOM 4640 H1 TIP3 887 19.577 -20.587 2.880 0.00 0.00 WAT1 ATOM 4641 H2 TIP3 887 18.556 -21.176 1.931 0.00 0.00 WAT1 ATOM 4642 OH2 TIP3 888 18.944 -26.560 3.075 0.00 0.00 WAT1 ATOM 4643 H1 TIP3 888 19.088 -27.462 2.789 0.00 0.00 WAT1 ATOM 4644 H2 TIP3 888 18.171 -26.274 2.587 0.00 0.00 WAT1 ATOM 4645 OH2 TIP3 889 20.162 -23.372 2.237 0.00 0.00 WAT1 ATOM 4646 H1 TIP3 889 19.341 -23.197 1.777 0.00 0.00 WAT1 ATOM 4647 H2 TIP3 889 19.910 -23.445 3.158 0.00 0.00 WAT1 ATOM 4648 OH2 TIP3 890 18.360 -30.904 9.678 0.00 0.00 WAT1 ATOM 4649 H1 TIP3 890 17.912 -30.058 9.660 0.00 0.00 WAT1 ATOM 4650 H2 TIP3 890 17.799 -31.484 9.163 0.00 0.00 WAT1 ATOM 4651 OH2 TIP3 891 29.275 -20.585 12.671 0.00 0.00 WAT1 ATOM 4652 H1 TIP3 891 29.895 -21.262 12.398 0.00 0.00 WAT1 ATOM 4653 H2 TIP3 891 29.067 -20.803 13.579 0.00 0.00 WAT1 ATOM 4654 OH2 TIP3 892 26.847 -26.196 14.563 0.00 0.00 WAT1 ATOM 4655 H1 TIP3 892 27.151 -26.882 13.969 0.00 0.00 WAT1 ATOM 4656 H2 TIP3 892 27.569 -26.078 15.181 0.00 0.00 WAT1 ATOM 4657 OH2 TIP3 893 23.143 -33.701 12.163 0.00 0.00 WAT1 ATOM 4658 H1 TIP3 893 23.186 -32.841 11.745 0.00 0.00 WAT1 ATOM 4659 H2 TIP3 893 22.685 -34.253 11.530 0.00 0.00 WAT1 ATOM 4660 OH2 TIP3 894 24.919 -29.754 12.141 0.00 0.00 WAT1 ATOM 4661 H1 TIP3 894 25.535 -30.280 12.650 0.00 0.00 WAT1 ATOM 4662 H2 TIP3 894 24.333 -30.394 11.737 0.00 0.00 WAT1 ATOM 4663 OH2 TIP3 895 24.522 -27.107 16.525 0.00 0.00 WAT1 ATOM 4664 H1 TIP3 895 23.782 -26.509 16.628 0.00 0.00 WAT1 ATOM 4665 H2 TIP3 895 25.236 -26.553 16.209 0.00 0.00 WAT1 ATOM 4666 OH2 TIP3 896 21.547 -32.891 14.190 0.00 0.00 WAT1 ATOM 4667 H1 TIP3 896 22.160 -32.258 14.563 0.00 0.00 WAT1 ATOM 4668 H2 TIP3 896 22.059 -33.363 13.533 0.00 0.00 WAT1 ATOM 4669 OH2 TIP3 897 19.051 -25.472 8.094 0.00 0.00 WAT1 ATOM 4670 H1 TIP3 897 18.779 -25.243 7.205 0.00 0.00 WAT1 ATOM 4671 H2 TIP3 897 19.096 -24.634 8.554 0.00 0.00 WAT1 ATOM 4672 OH2 TIP3 898 25.979 -37.477 13.690 0.00 0.00 WAT1 ATOM 4673 H1 TIP3 898 25.862 -38.426 13.636 0.00 0.00 WAT1 ATOM 4674 H2 TIP3 898 25.124 -37.145 13.963 0.00 0.00 WAT1 ATOM 4675 OH2 TIP3 899 23.297 -27.800 11.025 0.00 0.00 WAT1 ATOM 4676 H1 TIP3 899 22.967 -28.170 10.206 0.00 0.00 WAT1 ATOM 4677 H2 TIP3 899 23.885 -28.470 11.371 0.00 0.00 WAT1 ATOM 4678 OH2 TIP3 900 24.664 -24.372 13.706 0.00 0.00 WAT1 ATOM 4679 H1 TIP3 900 24.569 -24.950 12.949 0.00 0.00 WAT1 ATOM 4680 H2 TIP3 900 25.393 -24.743 14.202 0.00 0.00 WAT1 ATOM 4681 OH2 TIP3 901 29.973 -23.528 15.392 0.00 0.00 WAT1 ATOM 4682 H1 TIP3 901 29.732 -22.866 16.040 0.00 0.00 WAT1 ATOM 4683 H2 TIP3 901 29.775 -24.362 15.817 0.00 0.00 WAT1 ATOM 4684 OH2 TIP3 902 22.287 -28.730 8.614 0.00 0.00 WAT1 ATOM 4685 H1 TIP3 902 21.995 -27.962 8.123 0.00 0.00 WAT1 ATOM 4686 H2 TIP3 902 21.613 -29.390 8.451 0.00 0.00 WAT1 ATOM 4687 OH2 TIP3 903 27.307 -23.347 18.871 0.00 0.00 WAT1 ATOM 4688 H1 TIP3 903 27.394 -22.521 19.346 0.00 0.00 WAT1 ATOM 4689 H2 TIP3 903 26.443 -23.677 19.120 0.00 0.00 WAT1 ATOM 4690 OH2 TIP3 904 21.375 -20.786 10.458 0.00 0.00 WAT1 ATOM 4691 H1 TIP3 904 21.527 -21.134 11.337 0.00 0.00 WAT1 ATOM 4692 H2 TIP3 904 20.524 -21.142 10.203 0.00 0.00 WAT1 ATOM 4693 OH2 TIP3 905 27.911 -36.852 17.842 0.00 0.00 WAT1 ATOM 4694 H1 TIP3 905 28.331 -37.267 18.595 0.00 0.00 WAT1 ATOM 4695 H2 TIP3 905 26.978 -37.030 17.959 0.00 0.00 WAT1 ATOM 4696 OH2 TIP3 906 23.339 -31.608 15.563 0.00 0.00 WAT1 ATOM 4697 H1 TIP3 906 22.697 -31.649 16.272 0.00 0.00 WAT1 ATOM 4698 H2 TIP3 906 23.376 -30.682 15.325 0.00 0.00 WAT1 ATOM 4699 OH2 TIP3 907 23.336 -31.387 10.475 0.00 0.00 WAT1 ATOM 4700 H1 TIP3 907 22.443 -31.728 10.416 0.00 0.00 WAT1 ATOM 4701 H2 TIP3 907 23.787 -31.764 9.719 0.00 0.00 WAT1 ATOM 4702 OH2 TIP3 908 27.974 -30.796 20.780 0.00 0.00 WAT1 ATOM 4703 H1 TIP3 908 27.411 -31.500 21.100 0.00 0.00 WAT1 ATOM 4704 H2 TIP3 908 28.800 -30.916 21.247 0.00 0.00 WAT1 ATOM 4705 OH2 TIP3 909 20.746 -32.331 10.388 0.00 0.00 WAT1 ATOM 4706 H1 TIP3 909 19.857 -32.231 10.048 0.00 0.00 WAT1 ATOM 4707 H2 TIP3 909 21.042 -33.173 10.042 0.00 0.00 WAT1 ATOM 4708 OH2 TIP3 910 22.240 -35.036 9.866 0.00 0.00 WAT1 ATOM 4709 H1 TIP3 910 21.923 -35.938 9.831 0.00 0.00 WAT1 ATOM 4710 H2 TIP3 910 23.021 -35.034 9.314 0.00 0.00 WAT1 ATOM 4711 OH2 TIP3 911 25.864 -32.784 15.862 0.00 0.00 WAT1 ATOM 4712 H1 TIP3 911 25.029 -32.330 15.972 0.00 0.00 WAT1 ATOM 4713 H2 TIP3 911 26.388 -32.508 16.614 0.00 0.00 WAT1 ATOM 4714 OH2 TIP3 912 27.928 -26.387 18.784 0.00 0.00 WAT1 ATOM 4715 H1 TIP3 912 27.582 -26.768 19.590 0.00 0.00 WAT1 ATOM 4716 H2 TIP3 912 27.728 -25.453 18.855 0.00 0.00 WAT1 ATOM 4717 OH2 TIP3 913 25.558 -29.298 20.844 0.00 0.00 WAT1 ATOM 4718 H1 TIP3 913 25.262 -29.464 19.949 0.00 0.00 WAT1 ATOM 4719 H2 TIP3 913 26.489 -29.518 20.834 0.00 0.00 WAT1 ATOM 4720 OH2 TIP3 914 30.178 -23.925 18.734 0.00 0.00 WAT1 ATOM 4721 H1 TIP3 914 29.277 -23.742 18.466 0.00 0.00 WAT1 ATOM 4722 H2 TIP3 914 30.212 -23.666 19.655 0.00 0.00 WAT1 ATOM 4723 OH2 TIP3 915 23.908 -23.758 10.721 0.00 0.00 WAT1 ATOM 4724 H1 TIP3 915 24.435 -22.985 10.520 0.00 0.00 WAT1 ATOM 4725 H2 TIP3 915 23.028 -23.533 10.419 0.00 0.00 WAT1 ATOM 4726 OH2 TIP3 916 25.335 -26.095 10.297 0.00 0.00 WAT1 ATOM 4727 H1 TIP3 916 25.094 -25.170 10.339 0.00 0.00 WAT1 ATOM 4728 H2 TIP3 916 24.595 -26.554 10.693 0.00 0.00 WAT1 ATOM 4729 OH2 TIP3 917 24.019 -21.073 9.842 0.00 0.00 WAT1 ATOM 4730 H1 TIP3 917 23.069 -20.968 9.894 0.00 0.00 WAT1 ATOM 4731 H2 TIP3 917 24.370 -20.253 10.187 0.00 0.00 WAT1 ATOM 4732 OH2 TIP3 918 29.394 -25.847 16.313 0.00 0.00 WAT1 ATOM 4733 H1 TIP3 918 28.968 -26.074 17.139 0.00 0.00 WAT1 ATOM 4734 H2 TIP3 918 29.975 -26.585 16.130 0.00 0.00 WAT1 ATOM 4735 OH2 TIP3 919 32.053 -21.295 18.782 0.00 0.00 WAT1 ATOM 4736 H1 TIP3 919 31.451 -21.850 18.287 0.00 0.00 WAT1 ATOM 4737 H2 TIP3 919 32.334 -20.628 18.156 0.00 0.00 WAT1 ATOM 4738 OH2 TIP3 920 21.078 -26.983 6.800 0.00 0.00 WAT1 ATOM 4739 H1 TIP3 920 20.392 -26.631 7.367 0.00 0.00 WAT1 ATOM 4740 H2 TIP3 920 21.601 -26.220 6.554 0.00 0.00 WAT1 ATOM 4741 OH2 TIP3 921 28.910 -34.321 17.079 0.00 0.00 WAT1 ATOM 4742 H1 TIP3 921 29.608 -34.247 17.729 0.00 0.00 WAT1 ATOM 4743 H2 TIP3 921 28.529 -35.185 17.234 0.00 0.00 WAT1 ATOM 4744 OH2 TIP3 922 27.430 -31.955 18.196 0.00 0.00 WAT1 ATOM 4745 H1 TIP3 922 27.549 -31.381 18.953 0.00 0.00 WAT1 ATOM 4746 H2 TIP3 922 28.085 -32.643 18.311 0.00 0.00 WAT1 ATOM 4747 OH2 TIP3 923 21.694 -24.369 5.697 0.00 0.00 WAT1 ATOM 4748 H1 TIP3 923 22.286 -23.670 5.973 0.00 0.00 WAT1 ATOM 4749 H2 TIP3 923 22.153 -24.802 4.978 0.00 0.00 WAT1 ATOM 4750 OH2 TIP3 924 30.211 -23.071 21.326 0.00 0.00 WAT1 ATOM 4751 H1 TIP3 924 29.860 -23.927 21.569 0.00 0.00 WAT1 ATOM 4752 H2 TIP3 924 30.937 -22.928 21.933 0.00 0.00 WAT1 ATOM 4753 OH2 TIP3 925 25.599 -26.590 21.364 0.00 0.00 WAT1 ATOM 4754 H1 TIP3 925 25.271 -26.319 20.506 0.00 0.00 WAT1 ATOM 4755 H2 TIP3 925 25.751 -27.531 21.276 0.00 0.00 WAT1 ATOM 4756 OH2 TIP3 926 23.723 -30.351 18.725 0.00 0.00 WAT1 ATOM 4757 H1 TIP3 926 23.105 -29.676 19.006 0.00 0.00 WAT1 ATOM 4758 H2 TIP3 926 24.067 -30.030 17.892 0.00 0.00 WAT1 ATOM 4759 OH2 TIP3 927 28.743 -27.880 22.003 0.00 0.00 WAT1 ATOM 4760 H1 TIP3 927 29.696 -27.796 21.975 0.00 0.00 WAT1 ATOM 4761 H2 TIP3 927 28.583 -28.591 22.622 0.00 0.00 WAT1 ATOM 4762 OH2 TIP3 928 26.057 -29.187 17.540 0.00 0.00 WAT1 ATOM 4763 H1 TIP3 928 26.808 -29.343 16.967 0.00 0.00 WAT1 ATOM 4764 H2 TIP3 928 25.718 -28.335 17.264 0.00 0.00 WAT1 ATOM 4765 OH2 TIP3 929 26.545 -32.848 21.295 0.00 0.00 WAT1 ATOM 4766 H1 TIP3 929 26.309 -33.068 22.197 0.00 0.00 WAT1 ATOM 4767 H2 TIP3 929 25.762 -33.055 20.786 0.00 0.00 WAT1 ATOM 4768 OH2 TIP3 930 29.261 -33.721 20.371 0.00 0.00 WAT1 ATOM 4769 H1 TIP3 930 28.313 -33.689 20.503 0.00 0.00 WAT1 ATOM 4770 H2 TIP3 930 29.573 -34.346 21.025 0.00 0.00 WAT1 ATOM 4771 OH2 TIP3 931 30.895 -35.087 22.376 0.00 0.00 WAT1 ATOM 4772 H1 TIP3 931 30.798 -36.039 22.370 0.00 0.00 WAT1 ATOM 4773 H2 TIP3 931 30.573 -34.818 23.237 0.00 0.00 WAT1 ATOM 4774 OH2 TIP3 932 18.971 -24.674 5.116 0.00 0.00 WAT1 ATOM 4775 H1 TIP3 932 19.885 -24.595 5.389 0.00 0.00 WAT1 ATOM 4776 H2 TIP3 932 18.978 -25.361 4.449 0.00 0.00 WAT1 ATOM 4777 OH2 TIP3 933 18.006 -35.285 8.605 0.00 0.00 WAT1 ATOM 4778 H1 TIP3 933 17.081 -35.076 8.475 0.00 0.00 WAT1 ATOM 4779 H2 TIP3 933 18.460 -34.801 7.915 0.00 0.00 WAT1 ATOM 4780 OH2 TIP3 934 29.772 -19.713 19.555 0.00 0.00 WAT1 ATOM 4781 H1 TIP3 934 30.449 -20.345 19.315 0.00 0.00 WAT1 ATOM 4782 H2 TIP3 934 30.094 -19.311 20.363 0.00 0.00 WAT1 ATOM 4783 OH2 TIP3 935 27.696 -19.653 15.605 0.00 0.00 WAT1 ATOM 4784 H1 TIP3 935 27.239 -19.124 14.951 0.00 0.00 WAT1 ATOM 4785 H2 TIP3 935 27.859 -19.050 16.330 0.00 0.00 WAT1 ATOM 4786 OH2 TIP3 936 30.023 -20.775 16.550 0.00 0.00 WAT1 ATOM 4787 H1 TIP3 936 29.119 -20.610 16.284 0.00 0.00 WAT1 ATOM 4788 H2 TIP3 936 30.452 -19.922 16.484 0.00 0.00 WAT1 ATOM 4789 OH2 TIP3 937 22.074 -21.808 12.965 0.00 0.00 WAT1 ATOM 4790 H1 TIP3 937 21.855 -22.724 13.134 0.00 0.00 WAT1 ATOM 4791 H2 TIP3 937 22.898 -21.668 13.431 0.00 0.00 WAT1 ATOM 4792 OH2 TIP3 938 20.446 -37.040 10.780 0.00 0.00 WAT1 ATOM 4793 H1 TIP3 938 19.669 -37.274 10.272 0.00 0.00 WAT1 ATOM 4794 H2 TIP3 938 20.977 -37.837 10.788 0.00 0.00 WAT1 ATOM 4795 OH2 TIP3 939 25.026 -37.113 10.593 0.00 0.00 WAT1 ATOM 4796 H1 TIP3 939 25.900 -36.725 10.563 0.00 0.00 WAT1 ATOM 4797 H2 TIP3 939 24.890 -37.328 11.516 0.00 0.00 WAT1 ATOM 4798 OH2 TIP3 940 19.184 -21.294 7.481 0.00 0.00 WAT1 ATOM 4799 H1 TIP3 940 18.499 -21.332 6.813 0.00 0.00 WAT1 ATOM 4800 H2 TIP3 940 19.187 -20.381 7.769 0.00 0.00 WAT1 ATOM 4801 OH2 TIP3 941 21.002 -20.374 4.506 0.00 0.00 WAT1 ATOM 4802 H1 TIP3 941 20.734 -20.087 5.379 0.00 0.00 WAT1 ATOM 4803 H2 TIP3 941 21.773 -20.920 4.658 0.00 0.00 WAT1 ATOM 4804 OH2 TIP3 942 30.799 -37.843 22.015 0.00 0.00 WAT1 ATOM 4805 H1 TIP3 942 30.875 -38.269 22.869 0.00 0.00 WAT1 ATOM 4806 H2 TIP3 942 31.692 -37.829 21.673 0.00 0.00 WAT1 ATOM 4807 OH2 TIP3 943 21.750 -24.564 33.141 0.00 0.00 WAT1 ATOM 4808 H1 TIP3 943 21.380 -25.366 32.772 0.00 0.00 WAT1 ATOM 4809 H2 TIP3 943 22.691 -24.733 33.188 0.00 0.00 WAT1 ATOM 4810 OH2 TIP3 944 24.919 -29.754 30.997 0.00 0.00 WAT1 ATOM 4811 H1 TIP3 944 25.535 -30.280 31.506 0.00 0.00 WAT1 ATOM 4812 H2 TIP3 944 24.333 -30.394 30.593 0.00 0.00 WAT1 ATOM 4813 OH2 TIP3 945 24.522 -27.107 35.381 0.00 0.00 WAT1 ATOM 4814 H1 TIP3 945 23.782 -26.509 35.484 0.00 0.00 WAT1 ATOM 4815 H2 TIP3 945 25.236 -26.553 35.065 0.00 0.00 WAT1 ATOM 4816 OH2 TIP3 946 22.930 -25.143 36.168 0.00 0.00 WAT1 ATOM 4817 H1 TIP3 946 22.924 -24.264 35.790 0.00 0.00 WAT1 ATOM 4818 H2 TIP3 946 22.076 -25.226 36.593 0.00 0.00 WAT1 ATOM 4819 OH2 TIP3 947 25.979 -37.477 32.546 0.00 0.00 WAT1 ATOM 4820 H1 TIP3 947 25.862 -38.426 32.492 0.00 0.00 WAT1 ATOM 4821 H2 TIP3 947 25.124 -37.145 32.819 0.00 0.00 WAT1 ATOM 4822 OH2 TIP3 948 28.246 -28.640 27.046 0.00 0.00 WAT1 ATOM 4823 H1 TIP3 948 27.534 -28.105 26.695 0.00 0.00 WAT1 ATOM 4824 H2 TIP3 948 28.937 -28.584 26.386 0.00 0.00 WAT1 ATOM 4825 OH2 TIP3 949 28.300 -30.182 24.085 0.00 0.00 WAT1 ATOM 4826 H1 TIP3 949 29.001 -30.160 24.736 0.00 0.00 WAT1 ATOM 4827 H2 TIP3 949 28.602 -30.810 23.429 0.00 0.00 WAT1 ATOM 4828 OH2 TIP3 950 24.664 -24.372 32.562 0.00 0.00 WAT1 ATOM 4829 H1 TIP3 950 24.569 -24.950 31.805 0.00 0.00 WAT1 ATOM 4830 H2 TIP3 950 25.393 -24.743 33.058 0.00 0.00 WAT1 ATOM 4831 OH2 TIP3 951 21.464 -28.434 37.460 0.00 0.00 WAT1 ATOM 4832 H1 TIP3 951 21.534 -27.783 38.158 0.00 0.00 WAT1 ATOM 4833 H2 TIP3 951 20.573 -28.331 37.125 0.00 0.00 WAT1 ATOM 4834 OH2 TIP3 952 18.131 -23.587 33.169 0.00 0.00 WAT1 ATOM 4835 H1 TIP3 952 19.077 -23.731 33.150 0.00 0.00 WAT1 ATOM 4836 H2 TIP3 952 18.018 -22.803 33.706 0.00 0.00 WAT1 ATOM 4837 OH2 TIP3 953 27.721 -19.575 27.533 0.00 0.00 WAT1 ATOM 4838 H1 TIP3 953 27.646 -19.696 26.587 0.00 0.00 WAT1 ATOM 4839 H2 TIP3 953 27.754 -18.625 27.652 0.00 0.00 WAT1 ATOM 4840 OH2 TIP3 954 21.375 -20.786 29.314 0.00 0.00 WAT1 ATOM 4841 H1 TIP3 954 21.527 -21.134 30.193 0.00 0.00 WAT1 ATOM 4842 H2 TIP3 954 20.524 -21.142 29.059 0.00 0.00 WAT1 ATOM 4843 OH2 TIP3 955 30.823 -20.421 24.536 0.00 0.00 WAT1 ATOM 4844 H1 TIP3 955 31.198 -21.165 24.065 0.00 0.00 WAT1 ATOM 4845 H2 TIP3 955 30.827 -20.691 25.454 0.00 0.00 WAT1 ATOM 4846 OH2 TIP3 956 20.629 -25.044 37.328 0.00 0.00 WAT1 ATOM 4847 H1 TIP3 956 20.846 -25.405 38.188 0.00 0.00 WAT1 ATOM 4848 H2 TIP3 956 19.774 -25.418 37.118 0.00 0.00 WAT1 ATOM 4849 OH2 TIP3 957 27.911 -36.852 36.698 0.00 0.00 WAT1 ATOM 4850 H1 TIP3 957 28.331 -37.267 37.451 0.00 0.00 WAT1 ATOM 4851 H2 TIP3 957 26.978 -37.030 36.815 0.00 0.00 WAT1 ATOM 4852 OH2 TIP3 958 27.573 -34.359 23.983 0.00 0.00 WAT1 ATOM 4853 H1 TIP3 958 27.319 -34.340 24.906 0.00 0.00 WAT1 ATOM 4854 H2 TIP3 958 27.316 -35.231 23.682 0.00 0.00 WAT1 ATOM 4855 OH2 TIP3 959 28.872 -30.971 28.148 0.00 0.00 WAT1 ATOM 4856 H1 TIP3 959 28.463 -30.156 27.856 0.00 0.00 WAT1 ATOM 4857 H2 TIP3 959 29.592 -31.111 27.533 0.00 0.00 WAT1 ATOM 4858 OH2 TIP3 960 25.918 -33.960 30.417 0.00 0.00 WAT1 ATOM 4859 H1 TIP3 960 25.007 -33.903 30.706 0.00 0.00 WAT1 ATOM 4860 H2 TIP3 960 26.423 -34.020 31.228 0.00 0.00 WAT1 ATOM 4861 OH2 TIP3 961 21.208 -26.579 39.566 0.00 0.00 WAT1 ATOM 4862 H1 TIP3 961 21.941 -26.325 40.127 0.00 0.00 WAT1 ATOM 4863 H2 TIP3 961 20.428 -26.375 40.081 0.00 0.00 WAT1 ATOM 4864 OH2 TIP3 962 27.238 -31.172 32.304 0.00 0.00 WAT1 ATOM 4865 H1 TIP3 962 27.802 -31.719 31.757 0.00 0.00 WAT1 ATOM 4866 H2 TIP3 962 27.090 -31.694 33.093 0.00 0.00 WAT1 ATOM 4867 OH2 TIP3 963 25.864 -32.784 34.718 0.00 0.00 WAT1 ATOM 4868 H1 TIP3 963 25.029 -32.330 34.828 0.00 0.00 WAT1 ATOM 4869 H2 TIP3 963 26.388 -32.508 35.470 0.00 0.00 WAT1 ATOM 4870 OH2 TIP3 964 26.408 -26.571 26.403 0.00 0.00 WAT1 ATOM 4871 H1 TIP3 964 25.664 -27.078 26.080 0.00 0.00 WAT1 ATOM 4872 H2 TIP3 964 26.274 -26.522 27.349 0.00 0.00 WAT1 ATOM 4873 OH2 TIP3 965 30.306 -33.757 24.602 0.00 0.00 WAT1 ATOM 4874 H1 TIP3 965 29.368 -33.645 24.451 0.00 0.00 WAT1 ATOM 4875 H2 TIP3 965 30.603 -32.900 24.908 0.00 0.00 WAT1 ATOM 4876 OH2 TIP3 966 21.533 -27.276 32.172 0.00 0.00 WAT1 ATOM 4877 H1 TIP3 966 22.278 -27.278 31.571 0.00 0.00 WAT1 ATOM 4878 H2 TIP3 966 21.611 -28.100 32.654 0.00 0.00 WAT1 ATOM 4879 OH2 TIP3 967 28.534 -25.112 25.428 0.00 0.00 WAT1 ATOM 4880 H1 TIP3 967 28.239 -24.286 25.810 0.00 0.00 WAT1 ATOM 4881 H2 TIP3 967 27.831 -25.732 25.624 0.00 0.00 WAT1 ATOM 4882 OH2 TIP3 968 23.908 -23.758 29.577 0.00 0.00 WAT1 ATOM 4883 H1 TIP3 968 24.435 -22.985 29.376 0.00 0.00 WAT1 ATOM 4884 H2 TIP3 968 23.028 -23.533 29.275 0.00 0.00 WAT1 ATOM 4885 OH2 TIP3 969 25.335 -26.095 29.153 0.00 0.00 WAT1 ATOM 4886 H1 TIP3 969 25.094 -25.170 29.195 0.00 0.00 WAT1 ATOM 4887 H2 TIP3 969 24.595 -26.554 29.549 0.00 0.00 WAT1 ATOM 4888 OH2 TIP3 970 24.019 -21.073 28.698 0.00 0.00 WAT1 ATOM 4889 H1 TIP3 970 23.069 -20.968 28.750 0.00 0.00 WAT1 ATOM 4890 H2 TIP3 970 24.370 -20.253 29.043 0.00 0.00 WAT1 ATOM 4891 OH2 TIP3 971 19.826 -22.257 35.480 0.00 0.00 WAT1 ATOM 4892 H1 TIP3 971 20.043 -23.189 35.449 0.00 0.00 WAT1 ATOM 4893 H2 TIP3 971 20.073 -21.983 36.364 0.00 0.00 WAT1 ATOM 4894 OH2 TIP3 972 24.625 -24.236 25.146 0.00 0.00 WAT1 ATOM 4895 H1 TIP3 972 24.772 -24.756 25.936 0.00 0.00 WAT1 ATOM 4896 H2 TIP3 972 24.622 -23.329 25.452 0.00 0.00 WAT1 ATOM 4897 OH2 TIP3 973 29.694 -34.669 27.032 0.00 0.00 WAT1 ATOM 4898 H1 TIP3 973 29.914 -34.197 26.229 0.00 0.00 WAT1 ATOM 4899 H2 TIP3 973 30.252 -34.274 27.703 0.00 0.00 WAT1 ATOM 4900 OH2 TIP3 974 27.363 -22.538 25.895 0.00 0.00 WAT1 ATOM 4901 H1 TIP3 974 26.546 -22.041 25.948 0.00 0.00 WAT1 ATOM 4902 H2 TIP3 974 27.892 -22.063 25.255 0.00 0.00 WAT1 ATOM 4903 OH2 TIP3 975 26.894 -32.941 27.867 0.00 0.00 WAT1 ATOM 4904 H1 TIP3 975 27.706 -32.437 27.913 0.00 0.00 WAT1 ATOM 4905 H2 TIP3 975 26.649 -33.086 28.781 0.00 0.00 WAT1 ATOM 4906 OH2 TIP3 976 27.778 -35.860 28.805 0.00 0.00 WAT1 ATOM 4907 H1 TIP3 976 27.431 -35.242 29.450 0.00 0.00 WAT1 ATOM 4908 H2 TIP3 976 28.436 -35.359 28.324 0.00 0.00 WAT1 ATOM 4909 OH2 TIP3 977 24.701 -21.495 25.877 0.00 0.00 WAT1 ATOM 4910 H1 TIP3 977 24.862 -20.695 25.376 0.00 0.00 WAT1 ATOM 4911 H2 TIP3 977 24.504 -21.188 26.762 0.00 0.00 WAT1 ATOM 4912 OH2 TIP3 978 19.037 -20.370 39.833 0.00 0.00 WAT1 ATOM 4913 H1 TIP3 978 19.577 -20.587 40.592 0.00 0.00 WAT1 ATOM 4914 H2 TIP3 978 18.556 -21.176 39.643 0.00 0.00 WAT1 ATOM 4915 OH2 TIP3 979 27.726 -21.943 22.828 0.00 0.00 WAT1 ATOM 4916 H1 TIP3 979 27.082 -22.574 23.150 0.00 0.00 WAT1 ATOM 4917 H2 TIP3 979 28.488 -22.474 22.596 0.00 0.00 WAT1 ATOM 4918 OH2 TIP3 980 18.944 -26.560 40.787 0.00 0.00 WAT1 ATOM 4919 H1 TIP3 980 19.088 -27.462 40.501 0.00 0.00 WAT1 ATOM 4920 H2 TIP3 980 18.171 -26.274 40.299 0.00 0.00 WAT1 ATOM 4921 OH2 TIP3 981 28.637 -25.169 22.655 0.00 0.00 WAT1 ATOM 4922 H1 TIP3 981 28.369 -24.989 23.556 0.00 0.00 WAT1 ATOM 4923 H2 TIP3 981 28.431 -26.095 22.524 0.00 0.00 WAT1 ATOM 4924 OH2 TIP3 982 19.776 -29.360 40.207 0.00 0.00 WAT1 ATOM 4925 H1 TIP3 982 20.184 -30.217 40.086 0.00 0.00 WAT1 ATOM 4926 H2 TIP3 982 19.516 -29.345 41.128 0.00 0.00 WAT1 ATOM 4927 OH2 TIP3 983 23.723 -30.351 37.581 0.00 0.00 WAT1 ATOM 4928 H1 TIP3 983 23.105 -29.676 37.862 0.00 0.00 WAT1 ATOM 4929 H2 TIP3 983 24.067 -30.030 36.748 0.00 0.00 WAT1 ATOM 4930 OH2 TIP3 984 24.063 -32.996 38.664 0.00 0.00 WAT1 ATOM 4931 H1 TIP3 984 24.213 -33.725 38.061 0.00 0.00 WAT1 ATOM 4932 H2 TIP3 984 24.065 -32.219 38.105 0.00 0.00 WAT1 ATOM 4933 OH2 TIP3 985 24.475 -34.626 36.156 0.00 0.00 WAT1 ATOM 4934 H1 TIP3 985 25.011 -34.175 35.504 0.00 0.00 WAT1 ATOM 4935 H2 TIP3 985 23.623 -34.734 35.734 0.00 0.00 WAT1 ATOM 4936 OH2 TIP3 986 26.057 -29.187 36.396 0.00 0.00 WAT1 ATOM 4937 H1 TIP3 986 26.808 -29.343 35.823 0.00 0.00 WAT1 ATOM 4938 H2 TIP3 986 25.718 -28.335 36.120 0.00 0.00 WAT1 ATOM 4939 OH2 TIP3 987 22.541 -31.798 40.575 0.00 0.00 WAT1 ATOM 4940 H1 TIP3 987 21.774 -32.330 40.365 0.00 0.00 WAT1 ATOM 4941 H2 TIP3 987 23.220 -32.108 39.976 0.00 0.00 WAT1 ATOM 4942 OH2 TIP3 988 25.281 -37.170 36.588 0.00 0.00 WAT1 ATOM 4943 H1 TIP3 988 25.183 -36.223 36.482 0.00 0.00 WAT1 ATOM 4944 H2 TIP3 988 24.538 -37.542 36.112 0.00 0.00 WAT1 ATOM 4945 OH2 TIP3 989 26.545 -32.848 40.151 0.00 0.00 WAT1 ATOM 4946 H1 TIP3 989 26.309 -33.068 41.053 0.00 0.00 WAT1 ATOM 4947 H2 TIP3 989 25.762 -33.055 39.642 0.00 0.00 WAT1 ATOM 4948 OH2 TIP3 990 25.503 -37.876 39.259 0.00 0.00 WAT1 ATOM 4949 H1 TIP3 990 26.215 -38.516 39.245 0.00 0.00 WAT1 ATOM 4950 H2 TIP3 990 25.402 -37.609 38.345 0.00 0.00 WAT1 ATOM 4951 OH2 TIP3 991 25.856 -36.193 41.313 0.00 0.00 WAT1 ATOM 4952 H1 TIP3 991 25.725 -36.669 40.492 0.00 0.00 WAT1 ATOM 4953 H2 TIP3 991 25.257 -35.449 41.257 0.00 0.00 WAT1 ATOM 4954 OH2 TIP3 992 18.490 -21.200 30.854 0.00 0.00 WAT1 ATOM 4955 H1 TIP3 992 18.156 -22.081 31.026 0.00 0.00 WAT1 ATOM 4956 H2 TIP3 992 18.712 -20.855 31.718 0.00 0.00 WAT1 ATOM 4957 OH2 TIP3 993 23.116 -22.397 36.208 0.00 0.00 WAT1 ATOM 4958 H1 TIP3 993 22.691 -21.588 35.925 0.00 0.00 WAT1 ATOM 4959 H2 TIP3 993 24.021 -22.312 35.906 0.00 0.00 WAT1 ATOM 4960 OH2 TIP3 994 20.518 -19.141 36.255 0.00 0.00 WAT1 ATOM 4961 H1 TIP3 994 19.798 -18.701 35.804 0.00 0.00 WAT1 ATOM 4962 H2 TIP3 994 20.152 -19.392 37.104 0.00 0.00 WAT1 ATOM 4963 OH2 TIP3 995 22.985 -19.541 35.285 0.00 0.00 WAT1 ATOM 4964 H1 TIP3 995 22.120 -19.469 35.689 0.00 0.00 WAT1 ATOM 4965 H2 TIP3 995 22.930 -18.994 34.501 0.00 0.00 WAT1 ATOM 4966 OH2 TIP3 996 22.074 -21.808 31.821 0.00 0.00 WAT1 ATOM 4967 H1 TIP3 996 21.855 -22.724 31.990 0.00 0.00 WAT1 ATOM 4968 H2 TIP3 996 22.898 -21.668 32.287 0.00 0.00 WAT1 ATOM 4969 OH2 TIP3 997 28.120 -35.674 31.814 0.00 0.00 WAT1 ATOM 4970 H1 TIP3 997 27.445 -36.303 32.069 0.00 0.00 WAT1 ATOM 4971 H2 TIP3 997 28.684 -36.158 31.211 0.00 0.00 WAT1 ATOM 4972 OH2 TIP3 998 25.026 -37.113 29.449 0.00 0.00 WAT1 ATOM 4973 H1 TIP3 998 25.900 -36.725 29.419 0.00 0.00 WAT1 ATOM 4974 H2 TIP3 998 24.890 -37.328 30.372 0.00 0.00 WAT1 ATOM 4975 OH2 TIP3 999 26.170 -35.033 26.339 0.00 0.00 WAT1 ATOM 4976 H1 TIP3 999 26.348 -35.679 27.022 0.00 0.00 WAT1 ATOM 4977 H2 TIP3 999 26.116 -34.199 26.806 0.00 0.00 WAT1 ATOM 4978 OH2 TIP3 1000 28.048 -20.084 24.734 0.00 0.00 WAT1 ATOM 4979 H1 TIP3 1000 28.914 -19.718 24.556 0.00 0.00 WAT1 ATOM 4980 H2 TIP3 1000 27.801 -20.524 23.921 0.00 0.00 WAT1 ATOM 4981 OH2 TIP3 1001 19.070 -28.742 49.516 0.00 0.00 WAT1 ATOM 4982 H1 TIP3 1001 19.284 -29.512 50.043 0.00 0.00 WAT1 ATOM 4983 H2 TIP3 1001 19.808 -28.653 48.913 0.00 0.00 WAT1 ATOM 4984 OH2 TIP3 1002 23.143 -33.701 49.875 0.00 0.00 WAT1 ATOM 4985 H1 TIP3 1002 23.186 -32.841 49.457 0.00 0.00 WAT1 ATOM 4986 H2 TIP3 1002 22.685 -34.253 49.242 0.00 0.00 WAT1 ATOM 4987 OH2 TIP3 1003 19.763 -31.304 50.637 0.00 0.00 WAT1 ATOM 4988 H1 TIP3 1003 20.417 -31.854 51.069 0.00 0.00 WAT1 ATOM 4989 H2 TIP3 1003 19.787 -31.578 49.721 0.00 0.00 WAT1 ATOM 4990 OH2 TIP3 1004 24.919 -29.754 49.853 0.00 0.00 WAT1 ATOM 4991 H1 TIP3 1004 25.535 -30.280 50.362 0.00 0.00 WAT1 ATOM 4992 H2 TIP3 1004 24.333 -30.394 49.449 0.00 0.00 WAT1 ATOM 4993 OH2 TIP3 1005 21.547 -32.891 51.902 0.00 0.00 WAT1 ATOM 4994 H1 TIP3 1005 22.160 -32.258 52.275 0.00 0.00 WAT1 ATOM 4995 H2 TIP3 1005 22.059 -33.363 51.245 0.00 0.00 WAT1 ATOM 4996 OH2 TIP3 1006 19.051 -25.472 45.806 0.00 0.00 WAT1 ATOM 4997 H1 TIP3 1006 18.779 -25.243 44.917 0.00 0.00 WAT1 ATOM 4998 H2 TIP3 1006 19.096 -24.634 46.266 0.00 0.00 WAT1 ATOM 4999 OH2 TIP3 1007 23.297 -27.800 48.737 0.00 0.00 WAT1 ATOM 5000 H1 TIP3 1007 22.967 -28.170 47.918 0.00 0.00 WAT1 ATOM 5001 H2 TIP3 1007 23.885 -28.470 49.083 0.00 0.00 WAT1 ATOM 5002 OH2 TIP3 1008 22.287 -28.730 46.326 0.00 0.00 WAT1 ATOM 5003 H1 TIP3 1008 21.995 -27.962 45.835 0.00 0.00 WAT1 ATOM 5004 H2 TIP3 1008 21.613 -29.390 46.163 0.00 0.00 WAT1 ATOM 5005 OH2 TIP3 1009 27.573 -34.359 42.839 0.00 0.00 WAT1 ATOM 5006 H1 TIP3 1009 27.319 -34.340 43.762 0.00 0.00 WAT1 ATOM 5007 H2 TIP3 1009 27.316 -35.231 42.538 0.00 0.00 WAT1 ATOM 5008 OH2 TIP3 1010 23.336 -31.387 48.187 0.00 0.00 WAT1 ATOM 5009 H1 TIP3 1010 22.443 -31.728 48.128 0.00 0.00 WAT1 ATOM 5010 H2 TIP3 1010 23.787 -31.764 47.431 0.00 0.00 WAT1 ATOM 5011 OH2 TIP3 1011 24.455 -33.914 41.940 0.00 0.00 WAT1 ATOM 5012 H1 TIP3 1011 24.024 -34.359 42.670 0.00 0.00 WAT1 ATOM 5013 H2 TIP3 1011 23.737 -33.542 41.428 0.00 0.00 WAT1 ATOM 5014 OH2 TIP3 1012 24.399 -32.331 45.756 0.00 0.00 WAT1 ATOM 5015 H1 TIP3 1012 25.331 -32.202 45.934 0.00 0.00 WAT1 ATOM 5016 H2 TIP3 1012 24.184 -31.661 45.107 0.00 0.00 WAT1 ATOM 5017 OH2 TIP3 1013 23.073 -31.136 43.323 0.00 0.00 WAT1 ATOM 5018 H1 TIP3 1013 22.531 -31.516 42.632 0.00 0.00 WAT1 ATOM 5019 H2 TIP3 1013 23.907 -30.942 42.894 0.00 0.00 WAT1 ATOM 5020 OH2 TIP3 1014 22.240 -35.036 47.578 0.00 0.00 WAT1 ATOM 5021 H1 TIP3 1014 21.923 -35.938 47.543 0.00 0.00 WAT1 ATOM 5022 H2 TIP3 1014 23.021 -35.034 47.026 0.00 0.00 WAT1 ATOM 5023 OH2 TIP3 1015 21.533 -27.276 51.028 0.00 0.00 WAT1 ATOM 5024 H1 TIP3 1015 22.278 -27.278 50.427 0.00 0.00 WAT1 ATOM 5025 H2 TIP3 1015 21.611 -28.100 51.510 0.00 0.00 WAT1 ATOM 5026 OH2 TIP3 1016 21.078 -26.983 44.512 0.00 0.00 WAT1 ATOM 5027 H1 TIP3 1016 20.392 -26.631 45.079 0.00 0.00 WAT1 ATOM 5028 H2 TIP3 1016 21.601 -26.220 44.266 0.00 0.00 WAT1 ATOM 5029 OH2 TIP3 1017 23.435 -34.797 44.349 0.00 0.00 WAT1 ATOM 5030 H1 TIP3 1017 23.352 -33.908 44.695 0.00 0.00 WAT1 ATOM 5031 H2 TIP3 1017 24.325 -35.062 44.580 0.00 0.00 WAT1 ATOM 5032 OH2 TIP3 1018 21.694 -24.369 43.409 0.00 0.00 WAT1 ATOM 5033 H1 TIP3 1018 22.286 -23.670 43.685 0.00 0.00 WAT1 ATOM 5034 H2 TIP3 1018 22.153 -24.802 42.690 0.00 0.00 WAT1 ATOM 5035 OH2 TIP3 1019 20.818 -36.923 51.198 0.00 0.00 WAT1 ATOM 5036 H1 TIP3 1019 20.589 -36.864 50.271 0.00 0.00 WAT1 ATOM 5037 H2 TIP3 1019 20.375 -37.715 51.505 0.00 0.00 WAT1 ATOM 5038 OH2 TIP3 1020 23.285 -26.216 41.775 0.00 0.00 WAT1 ATOM 5039 H1 TIP3 1020 23.349 -27.010 42.306 0.00 0.00 WAT1 ATOM 5040 H2 TIP3 1020 23.938 -26.335 41.086 0.00 0.00 WAT1 ATOM 5041 OH2 TIP3 1021 24.434 -28.244 44.081 0.00 0.00 WAT1 ATOM 5042 H1 TIP3 1021 23.975 -28.728 44.767 0.00 0.00 WAT1 ATOM 5043 H2 TIP3 1021 24.689 -28.912 43.445 0.00 0.00 WAT1 ATOM 5044 OH2 TIP3 1022 25.505 -30.001 42.344 0.00 0.00 WAT1 ATOM 5045 H1 TIP3 1022 25.325 -30.155 41.416 0.00 0.00 WAT1 ATOM 5046 H2 TIP3 1022 26.456 -29.893 42.388 0.00 0.00 WAT1 ATOM 5047 OH2 TIP3 1023 18.971 -24.674 42.828 0.00 0.00 WAT1 ATOM 5048 H1 TIP3 1023 19.885 -24.595 43.101 0.00 0.00 WAT1 ATOM 5049 H2 TIP3 1023 18.978 -25.361 42.161 0.00 0.00 WAT1 ATOM 5050 OH2 TIP3 1024 18.570 -28.125 52.161 0.00 0.00 WAT1 ATOM 5051 H1 TIP3 1024 18.754 -28.207 51.226 0.00 0.00 WAT1 ATOM 5052 H2 TIP3 1024 19.419 -28.249 52.585 0.00 0.00 WAT1 ATOM 5053 OH2 TIP3 1025 19.389 -34.542 51.193 0.00 0.00 WAT1 ATOM 5054 H1 TIP3 1025 19.834 -35.334 51.495 0.00 0.00 WAT1 ATOM 5055 H2 TIP3 1025 19.855 -33.826 51.624 0.00 0.00 WAT1 ATOM 5056 OH2 TIP3 1026 17.693 -31.543 52.262 0.00 0.00 WAT1 ATOM 5057 H1 TIP3 1026 18.185 -31.764 51.472 0.00 0.00 WAT1 ATOM 5058 H2 TIP3 1026 18.055 -30.702 52.543 0.00 0.00 WAT1 ATOM 5059 OH2 TIP3 1027 20.446 -37.040 48.492 0.00 0.00 WAT1 ATOM 5060 H1 TIP3 1027 19.669 -37.274 47.984 0.00 0.00 WAT1 ATOM 5061 H2 TIP3 1027 20.977 -37.837 48.500 0.00 0.00 WAT1 ATOM 5062 OH2 TIP3 1028 25.026 -37.113 48.305 0.00 0.00 WAT1 ATOM 5063 H1 TIP3 1028 25.900 -36.725 48.275 0.00 0.00 WAT1 ATOM 5064 H2 TIP3 1028 24.890 -37.328 49.228 0.00 0.00 WAT1 ATOM 5065 OH2 TIP3 1029 26.170 -35.033 45.195 0.00 0.00 WAT1 ATOM 5066 H1 TIP3 1029 26.348 -35.679 45.878 0.00 0.00 WAT1 ATOM 5067 H2 TIP3 1029 26.116 -34.199 45.662 0.00 0.00 WAT1 ATOM 5068 OH2 TIP3 1030 20.826 -10.158 -3.106 0.00 0.00 WAT1 ATOM 5069 H1 TIP3 1030 20.868 -10.784 -2.382 0.00 0.00 WAT1 ATOM 5070 H2 TIP3 1030 21.529 -9.535 -2.924 0.00 0.00 WAT1 ATOM 5071 OH2 TIP3 1031 21.750 -5.708 -4.571 0.00 0.00 WAT1 ATOM 5072 H1 TIP3 1031 21.380 -6.510 -4.940 0.00 0.00 WAT1 ATOM 5073 H2 TIP3 1031 22.691 -5.877 -4.524 0.00 0.00 WAT1 ATOM 5074 OH2 TIP3 1032 19.070 -9.886 -7.052 0.00 0.00 WAT1 ATOM 5075 H1 TIP3 1032 19.284 -10.656 -6.525 0.00 0.00 WAT1 ATOM 5076 H2 TIP3 1032 19.808 -9.797 -7.655 0.00 0.00 WAT1 ATOM 5077 OH2 TIP3 1033 29.275 -1.729 -6.185 0.00 0.00 WAT1 ATOM 5078 H1 TIP3 1033 29.895 -2.406 -6.458 0.00 0.00 WAT1 ATOM 5079 H2 TIP3 1033 29.067 -1.947 -5.277 0.00 0.00 WAT1 ATOM 5080 OH2 TIP3 1034 26.847 -7.340 -4.293 0.00 0.00 WAT1 ATOM 5081 H1 TIP3 1034 27.151 -8.026 -4.887 0.00 0.00 WAT1 ATOM 5082 H2 TIP3 1034 27.569 -7.222 -3.675 0.00 0.00 WAT1 ATOM 5083 OH2 TIP3 1035 19.763 -12.448 -5.931 0.00 0.00 WAT1 ATOM 5084 H1 TIP3 1035 20.417 -12.998 -5.499 0.00 0.00 WAT1 ATOM 5085 H2 TIP3 1035 19.787 -12.722 -6.847 0.00 0.00 WAT1 ATOM 5086 OH2 TIP3 1036 24.522 -8.251 -2.331 0.00 0.00 WAT1 ATOM 5087 H1 TIP3 1036 23.782 -7.653 -2.228 0.00 0.00 WAT1 ATOM 5088 H2 TIP3 1036 25.236 -7.697 -2.647 0.00 0.00 WAT1 ATOM 5089 OH2 TIP3 1037 22.930 -6.287 -1.544 0.00 0.00 WAT1 ATOM 5090 H1 TIP3 1037 22.924 -5.408 -1.922 0.00 0.00 WAT1 ATOM 5091 H2 TIP3 1037 22.076 -6.370 -1.119 0.00 0.00 WAT1 ATOM 5092 OH2 TIP3 1038 19.051 -6.616 -10.762 0.00 0.00 WAT1 ATOM 5093 H1 TIP3 1038 18.779 -6.387 -11.651 0.00 0.00 WAT1 ATOM 5094 H2 TIP3 1038 19.096 -5.778 -10.302 0.00 0.00 WAT1 ATOM 5095 OH2 TIP3 1039 24.664 -5.516 -5.150 0.00 0.00 WAT1 ATOM 5096 H1 TIP3 1039 24.569 -6.094 -5.907 0.00 0.00 WAT1 ATOM 5097 H2 TIP3 1039 25.393 -5.887 -4.654 0.00 0.00 WAT1 ATOM 5098 OH2 TIP3 1040 29.973 -4.672 -3.464 0.00 0.00 WAT1 ATOM 5099 H1 TIP3 1040 29.732 -4.010 -2.816 0.00 0.00 WAT1 ATOM 5100 H2 TIP3 1040 29.775 -5.506 -3.039 0.00 0.00 WAT1 ATOM 5101 OH2 TIP3 1041 21.464 -9.578 -0.252 0.00 0.00 WAT1 ATOM 5102 H1 TIP3 1041 21.534 -8.927 0.446 0.00 0.00 WAT1 ATOM 5103 H2 TIP3 1041 20.573 -9.475 -0.587 0.00 0.00 WAT1 ATOM 5104 OH2 TIP3 1042 21.375 -1.930 -8.398 0.00 0.00 WAT1 ATOM 5105 H1 TIP3 1042 21.527 -2.278 -7.519 0.00 0.00 WAT1 ATOM 5106 H2 TIP3 1042 20.524 -2.286 -8.653 0.00 0.00 WAT1 ATOM 5107 OH2 TIP3 1043 21.089 -12.432 -1.426 0.00 0.00 WAT1 ATOM 5108 H1 TIP3 1043 21.051 -12.032 -0.558 0.00 0.00 WAT1 ATOM 5109 H2 TIP3 1043 20.598 -13.249 -1.336 0.00 0.00 WAT1 ATOM 5110 OH2 TIP3 1044 17.697 -15.316 -7.576 0.00 0.00 WAT1 ATOM 5111 H1 TIP3 1044 18.328 -15.345 -6.856 0.00 0.00 WAT1 ATOM 5112 H2 TIP3 1044 18.147 -15.741 -8.306 0.00 0.00 WAT1 ATOM 5113 OH2 TIP3 1045 33.610 -0.197 2.246 0.00 0.00 WAT1 ATOM 5114 H1 TIP3 1045 33.810 0.227 1.411 0.00 0.00 WAT1 ATOM 5115 H2 TIP3 1045 34.266 0.146 2.853 0.00 0.00 WAT1 ATOM 5116 OH2 TIP3 1046 21.208 -7.723 1.854 0.00 0.00 WAT1 ATOM 5117 H1 TIP3 1046 21.941 -7.469 2.415 0.00 0.00 WAT1 ATOM 5118 H2 TIP3 1046 20.428 -7.519 2.369 0.00 0.00 WAT1 ATOM 5119 OH2 TIP3 1047 27.928 -7.531 -0.072 0.00 0.00 WAT1 ATOM 5120 H1 TIP3 1047 27.582 -7.912 0.734 0.00 0.00 WAT1 ATOM 5121 H2 TIP3 1047 27.728 -6.597 -0.001 0.00 0.00 WAT1 ATOM 5122 OH2 TIP3 1048 21.533 -8.420 -5.540 0.00 0.00 WAT1 ATOM 5123 H1 TIP3 1048 22.278 -8.422 -6.141 0.00 0.00 WAT1 ATOM 5124 H2 TIP3 1048 21.611 -9.244 -5.058 0.00 0.00 WAT1 ATOM 5125 OH2 TIP3 1049 18.541 -9.959 -0.225 0.00 0.00 WAT1 ATOM 5126 H1 TIP3 1049 18.764 -10.377 0.607 0.00 0.00 WAT1 ATOM 5127 H2 TIP3 1049 17.939 -10.572 -0.647 0.00 0.00 WAT1 ATOM 5128 OH2 TIP3 1050 30.178 -5.069 -0.122 0.00 0.00 WAT1 ATOM 5129 H1 TIP3 1050 29.277 -4.886 -0.390 0.00 0.00 WAT1 ATOM 5130 H2 TIP3 1050 30.212 -4.810 0.799 0.00 0.00 WAT1 ATOM 5131 OH2 TIP3 1051 29.394 -6.991 -2.543 0.00 0.00 WAT1 ATOM 5132 H1 TIP3 1051 28.968 -7.218 -1.717 0.00 0.00 WAT1 ATOM 5133 H2 TIP3 1051 29.975 -7.729 -2.726 0.00 0.00 WAT1 ATOM 5134 OH2 TIP3 1052 32.053 -2.439 -0.074 0.00 0.00 WAT1 ATOM 5135 H1 TIP3 1052 31.451 -2.994 -0.569 0.00 0.00 WAT1 ATOM 5136 H2 TIP3 1052 32.334 -1.772 -0.700 0.00 0.00 WAT1 ATOM 5137 OH2 TIP3 1053 20.175 -15.206 -0.667 0.00 0.00 WAT1 ATOM 5138 H1 TIP3 1053 19.282 -14.867 -0.734 0.00 0.00 WAT1 ATOM 5139 H2 TIP3 1053 20.076 -16.061 -0.249 0.00 0.00 WAT1 ATOM 5140 OH2 TIP3 1054 19.748 -4.127 -9.209 0.00 0.00 WAT1 ATOM 5141 H1 TIP3 1054 18.916 -3.654 -9.182 0.00 0.00 WAT1 ATOM 5142 H2 TIP3 1054 20.294 -3.617 -9.808 0.00 0.00 WAT1 ATOM 5143 OH2 TIP3 1055 30.211 -4.215 2.470 0.00 0.00 WAT1 ATOM 5144 H1 TIP3 1055 29.860 -5.071 2.713 0.00 0.00 WAT1 ATOM 5145 H2 TIP3 1055 30.937 -4.072 3.077 0.00 0.00 WAT1 ATOM 5146 OH2 TIP3 1056 18.944 -7.704 3.075 0.00 0.00 WAT1 ATOM 5147 H1 TIP3 1056 19.088 -8.606 2.789 0.00 0.00 WAT1 ATOM 5148 H2 TIP3 1056 18.171 -7.418 2.587 0.00 0.00 WAT1 ATOM 5149 OH2 TIP3 1057 25.599 -7.734 2.508 0.00 0.00 WAT1 ATOM 5150 H1 TIP3 1057 25.271 -7.463 1.650 0.00 0.00 WAT1 ATOM 5151 H2 TIP3 1057 25.751 -8.675 2.420 0.00 0.00 WAT1 ATOM 5152 OH2 TIP3 1058 19.776 -10.504 2.495 0.00 0.00 WAT1 ATOM 5153 H1 TIP3 1058 20.184 -11.361 2.374 0.00 0.00 WAT1 ATOM 5154 H2 TIP3 1058 19.516 -10.489 3.416 0.00 0.00 WAT1 ATOM 5155 OH2 TIP3 1059 28.743 -9.024 3.147 0.00 0.00 WAT1 ATOM 5156 H1 TIP3 1059 29.696 -8.940 3.119 0.00 0.00 WAT1 ATOM 5157 H2 TIP3 1059 28.583 -9.735 3.766 0.00 0.00 WAT1 ATOM 5158 OH2 TIP3 1060 22.541 -12.942 2.863 0.00 0.00 WAT1 ATOM 5159 H1 TIP3 1060 21.774 -13.474 2.653 0.00 0.00 WAT1 ATOM 5160 H2 TIP3 1060 23.220 -13.252 2.264 0.00 0.00 WAT1 ATOM 5161 OH2 TIP3 1061 20.722 -15.021 2.568 0.00 0.00 WAT1 ATOM 5162 H1 TIP3 1061 20.933 -15.728 1.957 0.00 0.00 WAT1 ATOM 5163 H2 TIP3 1061 20.610 -15.459 3.412 0.00 0.00 WAT1 ATOM 5164 OH2 TIP3 1062 17.620 -0.425 -8.663 0.00 0.00 WAT1 ATOM 5165 H1 TIP3 1062 16.973 -0.887 -9.196 0.00 0.00 WAT1 ATOM 5166 H2 TIP3 1062 17.975 -1.097 -8.080 0.00 0.00 WAT1 ATOM 5167 OH2 TIP3 1063 18.490 -2.344 -6.858 0.00 0.00 WAT1 ATOM 5168 H1 TIP3 1063 18.156 -3.225 -6.686 0.00 0.00 WAT1 ATOM 5169 H2 TIP3 1063 18.712 -1.999 -5.994 0.00 0.00 WAT1 ATOM 5170 OH2 TIP3 1064 18.570 -9.269 -4.407 0.00 0.00 WAT1 ATOM 5171 H1 TIP3 1064 18.754 -9.351 -5.342 0.00 0.00 WAT1 ATOM 5172 H2 TIP3 1064 19.419 -9.393 -3.983 0.00 0.00 WAT1 ATOM 5173 OH2 TIP3 1065 18.168 -13.998 1.734 0.00 0.00 WAT1 ATOM 5174 H1 TIP3 1065 19.087 -14.120 1.970 0.00 0.00 WAT1 ATOM 5175 H2 TIP3 1065 17.718 -14.748 2.123 0.00 0.00 WAT1 ATOM 5176 OH2 TIP3 1066 19.389 -15.686 -5.375 0.00 0.00 WAT1 ATOM 5177 H1 TIP3 1066 19.834 -16.478 -5.073 0.00 0.00 WAT1 ATOM 5178 H2 TIP3 1066 19.855 -14.970 -4.944 0.00 0.00 WAT1 ATOM 5179 OH2 TIP3 1067 17.693 -12.687 -4.306 0.00 0.00 WAT1 ATOM 5180 H1 TIP3 1067 18.185 -12.908 -5.096 0.00 0.00 WAT1 ATOM 5181 H2 TIP3 1067 18.055 -11.846 -4.025 0.00 0.00 WAT1 ATOM 5182 OH2 TIP3 1068 17.970 -17.691 -1.907 0.00 0.00 WAT1 ATOM 5183 H1 TIP3 1068 17.305 -17.937 -1.264 0.00 0.00 WAT1 ATOM 5184 H2 TIP3 1068 17.527 -17.069 -2.484 0.00 0.00 WAT1 ATOM 5185 OH2 TIP3 1069 27.696 -0.797 -3.251 0.00 0.00 WAT1 ATOM 5186 H1 TIP3 1069 27.239 -0.268 -3.905 0.00 0.00 WAT1 ATOM 5187 H2 TIP3 1069 27.859 -0.194 -2.526 0.00 0.00 WAT1 ATOM 5188 OH2 TIP3 1070 30.023 -1.919 -2.306 0.00 0.00 WAT1 ATOM 5189 H1 TIP3 1070 29.119 -1.754 -2.572 0.00 0.00 WAT1 ATOM 5190 H2 TIP3 1070 30.452 -1.066 -2.372 0.00 0.00 WAT1 ATOM 5191 OH2 TIP3 1071 32.628 -0.349 -2.011 0.00 0.00 WAT1 ATOM 5192 H1 TIP3 1071 32.446 0.567 -2.222 0.00 0.00 WAT1 ATOM 5193 H2 TIP3 1071 32.804 -0.759 -2.858 0.00 0.00 WAT1 ATOM 5194 OH2 TIP3 1072 19.933 -1.662 -4.546 0.00 0.00 WAT1 ATOM 5195 H1 TIP3 1072 19.914 -2.087 -3.689 0.00 0.00 WAT1 ATOM 5196 H2 TIP3 1072 20.738 -1.980 -4.955 0.00 0.00 WAT1 ATOM 5197 OH2 TIP3 1073 22.074 -2.952 -5.891 0.00 0.00 WAT1 ATOM 5198 H1 TIP3 1073 21.855 -3.868 -5.722 0.00 0.00 WAT1 ATOM 5199 H2 TIP3 1073 22.898 -2.812 -5.425 0.00 0.00 WAT1 ATOM 5200 OH2 TIP3 1074 24.611 -2.482 -5.043 0.00 0.00 WAT1 ATOM 5201 H1 TIP3 1074 24.824 -3.370 -5.330 0.00 0.00 WAT1 ATOM 5202 H2 TIP3 1074 24.676 -2.516 -4.088 0.00 0.00 WAT1 ATOM 5203 OH2 TIP3 1075 20.404 -17.670 1.441 0.00 0.00 WAT1 ATOM 5204 H1 TIP3 1075 20.038 -18.435 1.884 0.00 0.00 WAT1 ATOM 5205 H2 TIP3 1075 21.317 -17.641 1.728 0.00 0.00 WAT1 ATOM 5206 OH2 TIP3 1076 22.377 -18.319 2.977 0.00 0.00 WAT1 ATOM 5207 H1 TIP3 1076 23.276 -18.593 2.792 0.00 0.00 WAT1 ATOM 5208 H2 TIP3 1076 21.991 -19.062 3.441 0.00 0.00 WAT1 ATOM 5209 OH2 TIP3 1077 33.975 -2.914 1.852 0.00 0.00 WAT1 ATOM 5210 H1 TIP3 1077 33.193 -3.100 1.332 0.00 0.00 WAT1 ATOM 5211 H2 TIP3 1077 33.903 -1.985 2.069 0.00 0.00 WAT1 ATOM 5212 OH2 TIP3 1078 21.750 -5.708 14.285 0.00 0.00 WAT1 ATOM 5213 H1 TIP3 1078 21.380 -6.510 13.916 0.00 0.00 WAT1 ATOM 5214 H2 TIP3 1078 22.691 -5.877 14.332 0.00 0.00 WAT1 ATOM 5215 OH2 TIP3 1079 18.360 -12.048 9.678 0.00 0.00 WAT1 ATOM 5216 H1 TIP3 1079 17.912 -11.202 9.660 0.00 0.00 WAT1 ATOM 5217 H2 TIP3 1079 17.799 -12.628 9.163 0.00 0.00 WAT1 ATOM 5218 OH2 TIP3 1080 19.070 -9.886 11.804 0.00 0.00 WAT1 ATOM 5219 H1 TIP3 1080 19.284 -10.656 12.331 0.00 0.00 WAT1 ATOM 5220 H2 TIP3 1080 19.808 -9.797 11.201 0.00 0.00 WAT1 ATOM 5221 OH2 TIP3 1081 29.988 -12.946 14.891 0.00 0.00 WAT1 ATOM 5222 H1 TIP3 1081 30.131 -13.893 14.911 0.00 0.00 WAT1 ATOM 5223 H2 TIP3 1081 29.882 -12.739 13.962 0.00 0.00 WAT1 ATOM 5224 OH2 TIP3 1082 23.143 -14.845 12.163 0.00 0.00 WAT1 ATOM 5225 H1 TIP3 1082 23.186 -13.985 11.745 0.00 0.00 WAT1 ATOM 5226 H2 TIP3 1082 22.685 -15.397 11.530 0.00 0.00 WAT1 ATOM 5227 OH2 TIP3 1083 19.763 -12.448 12.925 0.00 0.00 WAT1 ATOM 5228 H1 TIP3 1083 20.417 -12.998 13.357 0.00 0.00 WAT1 ATOM 5229 H2 TIP3 1083 19.787 -12.722 12.009 0.00 0.00 WAT1 ATOM 5230 OH2 TIP3 1084 24.919 -10.898 12.141 0.00 0.00 WAT1 ATOM 5231 H1 TIP3 1084 25.535 -11.424 12.650 0.00 0.00 WAT1 ATOM 5232 H2 TIP3 1084 24.333 -11.538 11.737 0.00 0.00 WAT1 ATOM 5233 OH2 TIP3 1085 24.522 -8.251 16.525 0.00 0.00 WAT1 ATOM 5234 H1 TIP3 1085 23.782 -7.653 16.628 0.00 0.00 WAT1 ATOM 5235 H2 TIP3 1085 25.236 -7.697 16.209 0.00 0.00 WAT1 ATOM 5236 OH2 TIP3 1086 21.547 -14.035 14.190 0.00 0.00 WAT1 ATOM 5237 H1 TIP3 1086 22.160 -13.402 14.563 0.00 0.00 WAT1 ATOM 5238 H2 TIP3 1086 22.059 -14.507 13.533 0.00 0.00 WAT1 ATOM 5239 OH2 TIP3 1087 22.930 -6.287 17.312 0.00 0.00 WAT1 ATOM 5240 H1 TIP3 1087 22.924 -5.408 16.934 0.00 0.00 WAT1 ATOM 5241 H2 TIP3 1087 22.076 -6.370 17.737 0.00 0.00 WAT1 ATOM 5242 OH2 TIP3 1088 19.051 -6.616 8.094 0.00 0.00 WAT1 ATOM 5243 H1 TIP3 1088 18.779 -6.387 7.205 0.00 0.00 WAT1 ATOM 5244 H2 TIP3 1088 19.096 -5.778 8.554 0.00 0.00 WAT1 ATOM 5245 OH2 TIP3 1089 25.979 -18.621 13.690 0.00 0.00 WAT1 ATOM 5246 H1 TIP3 1089 25.862 -19.570 13.636 0.00 0.00 WAT1 ATOM 5247 H2 TIP3 1089 25.124 -18.289 13.963 0.00 0.00 WAT1 ATOM 5248 OH2 TIP3 1090 31.549 -11.400 18.210 0.00 0.00 WAT1 ATOM 5249 H1 TIP3 1090 31.629 -10.637 18.782 0.00 0.00 WAT1 ATOM 5250 H2 TIP3 1090 30.948 -11.121 17.519 0.00 0.00 WAT1 ATOM 5251 OH2 TIP3 1091 23.664 -10.175 14.658 0.00 0.00 WAT1 ATOM 5252 H1 TIP3 1091 24.229 -10.054 13.895 0.00 0.00 WAT1 ATOM 5253 H2 TIP3 1091 23.983 -9.538 15.297 0.00 0.00 WAT1 ATOM 5254 OH2 TIP3 1092 24.544 -5.776 19.375 0.00 0.00 WAT1 ATOM 5255 H1 TIP3 1092 24.232 -4.994 19.831 0.00 0.00 WAT1 ATOM 5256 H2 TIP3 1092 23.894 -5.929 18.689 0.00 0.00 WAT1 ATOM 5257 OH2 TIP3 1093 28.249 -3.675 10.262 0.00 0.00 WAT1 ATOM 5258 H1 TIP3 1093 28.723 -3.380 11.040 0.00 0.00 WAT1 ATOM 5259 H2 TIP3 1093 27.686 -2.937 10.029 0.00 0.00 WAT1 ATOM 5260 OH2 TIP3 1094 22.783 -3.704 20.139 0.00 0.00 WAT1 ATOM 5261 H1 TIP3 1094 22.791 -3.840 19.191 0.00 0.00 WAT1 ATOM 5262 H2 TIP3 1094 21.867 -3.822 20.391 0.00 0.00 WAT1 ATOM 5263 OH2 TIP3 1095 22.287 -9.874 8.614 0.00 0.00 WAT1 ATOM 5264 H1 TIP3 1095 21.995 -9.106 8.123 0.00 0.00 WAT1 ATOM 5265 H2 TIP3 1095 21.613 -10.534 8.451 0.00 0.00 WAT1 ATOM 5266 OH2 TIP3 1096 18.380 -7.511 17.429 0.00 0.00 WAT1 ATOM 5267 H1 TIP3 1096 17.879 -7.539 16.614 0.00 0.00 WAT1 ATOM 5268 H2 TIP3 1096 18.386 -8.417 17.739 0.00 0.00 WAT1 ATOM 5269 OH2 TIP3 1097 27.721 -0.719 8.677 0.00 0.00 WAT1 ATOM 5270 H1 TIP3 1097 27.646 -0.840 7.731 0.00 0.00 WAT1 ATOM 5271 H2 TIP3 1097 27.754 0.231 8.796 0.00 0.00 WAT1 ATOM 5272 OH2 TIP3 1098 21.375 -1.930 10.458 0.00 0.00 WAT1 ATOM 5273 H1 TIP3 1098 21.527 -2.278 11.337 0.00 0.00 WAT1 ATOM 5274 H2 TIP3 1098 20.524 -2.286 10.203 0.00 0.00 WAT1 ATOM 5275 OH2 TIP3 1099 30.823 -1.565 5.680 0.00 0.00 WAT1 ATOM 5276 H1 TIP3 1099 31.198 -2.309 5.209 0.00 0.00 WAT1 ATOM 5277 H2 TIP3 1099 30.827 -1.835 6.598 0.00 0.00 WAT1 ATOM 5278 OH2 TIP3 1100 30.492 -1.639 8.429 0.00 0.00 WAT1 ATOM 5279 H1 TIP3 1100 29.557 -1.539 8.608 0.00 0.00 WAT1 ATOM 5280 H2 TIP3 1100 30.772 -2.348 9.007 0.00 0.00 WAT1 ATOM 5281 OH2 TIP3 1101 33.480 -12.572 20.475 0.00 0.00 WAT1 ATOM 5282 H1 TIP3 1101 33.073 -12.091 19.755 0.00 0.00 WAT1 ATOM 5283 H2 TIP3 1101 33.521 -13.477 20.168 0.00 0.00 WAT1 ATOM 5284 OH2 TIP3 1102 20.629 -6.188 18.472 0.00 0.00 WAT1 ATOM 5285 H1 TIP3 1102 20.846 -6.549 19.332 0.00 0.00 WAT1 ATOM 5286 H2 TIP3 1102 19.774 -6.562 18.262 0.00 0.00 WAT1 ATOM 5287 OH2 TIP3 1103 31.237 -14.240 18.696 0.00 0.00 WAT1 ATOM 5288 H1 TIP3 1103 30.723 -14.366 19.493 0.00 0.00 WAT1 ATOM 5289 H2 TIP3 1103 31.082 -13.328 18.451 0.00 0.00 WAT1 ATOM 5290 OH2 TIP3 1104 23.336 -12.531 10.475 0.00 0.00 WAT1 ATOM 5291 H1 TIP3 1104 22.443 -12.872 10.416 0.00 0.00 WAT1 ATOM 5292 H2 TIP3 1104 23.787 -12.908 9.719 0.00 0.00 WAT1 ATOM 5293 OH2 TIP3 1105 29.140 -11.031 16.777 0.00 0.00 WAT1 ATOM 5294 H1 TIP3 1105 29.464 -11.662 16.134 0.00 0.00 WAT1 ATOM 5295 H2 TIP3 1105 28.700 -11.566 17.438 0.00 0.00 WAT1 ATOM 5296 OH2 TIP3 1106 25.918 -15.104 11.561 0.00 0.00 WAT1 ATOM 5297 H1 TIP3 1106 25.007 -15.047 11.850 0.00 0.00 WAT1 ATOM 5298 H2 TIP3 1106 26.423 -15.164 12.372 0.00 0.00 WAT1 ATOM 5299 OH2 TIP3 1107 20.746 -13.475 10.388 0.00 0.00 WAT1 ATOM 5300 H1 TIP3 1107 19.857 -13.375 10.048 0.00 0.00 WAT1 ATOM 5301 H2 TIP3 1107 21.042 -14.317 10.042 0.00 0.00 WAT1 ATOM 5302 OH2 TIP3 1108 30.323 -15.869 14.825 0.00 0.00 WAT1 ATOM 5303 H1 TIP3 1108 29.646 -15.738 15.489 0.00 0.00 WAT1 ATOM 5304 H2 TIP3 1108 29.837 -16.024 14.015 0.00 0.00 WAT1 ATOM 5305 OH2 TIP3 1109 27.238 -12.316 13.448 0.00 0.00 WAT1 ATOM 5306 H1 TIP3 1109 27.802 -12.863 12.901 0.00 0.00 WAT1 ATOM 5307 H2 TIP3 1109 27.090 -12.838 14.237 0.00 0.00 WAT1 ATOM 5308 OH2 TIP3 1110 22.240 -16.180 9.866 0.00 0.00 WAT1 ATOM 5309 H1 TIP3 1110 21.923 -17.082 9.831 0.00 0.00 WAT1 ATOM 5310 H2 TIP3 1110 23.021 -16.178 9.314 0.00 0.00 WAT1 ATOM 5311 OH2 TIP3 1111 26.408 -7.715 7.547 0.00 0.00 WAT1 ATOM 5312 H1 TIP3 1111 25.664 -8.222 7.224 0.00 0.00 WAT1 ATOM 5313 H2 TIP3 1111 26.274 -7.666 8.493 0.00 0.00 WAT1 ATOM 5314 OH2 TIP3 1112 27.928 -7.531 18.784 0.00 0.00 WAT1 ATOM 5315 H1 TIP3 1112 27.582 -7.912 19.590 0.00 0.00 WAT1 ATOM 5316 H2 TIP3 1112 27.728 -6.597 18.855 0.00 0.00 WAT1 ATOM 5317 OH2 TIP3 1113 21.533 -8.420 13.316 0.00 0.00 WAT1 ATOM 5318 H1 TIP3 1113 22.278 -8.422 12.715 0.00 0.00 WAT1 ATOM 5319 H2 TIP3 1113 21.611 -9.244 13.798 0.00 0.00 WAT1 ATOM 5320 OH2 TIP3 1114 28.534 -6.256 6.572 0.00 0.00 WAT1 ATOM 5321 H1 TIP3 1114 28.239 -5.430 6.954 0.00 0.00 WAT1 ATOM 5322 H2 TIP3 1114 27.831 -6.876 6.768 0.00 0.00 WAT1 ATOM 5323 OH2 TIP3 1115 23.908 -4.902 10.721 0.00 0.00 WAT1 ATOM 5324 H1 TIP3 1115 24.435 -4.129 10.520 0.00 0.00 WAT1 ATOM 5325 H2 TIP3 1115 23.028 -4.677 10.419 0.00 0.00 WAT1 ATOM 5326 OH2 TIP3 1116 19.663 -10.040 5.308 0.00 0.00 WAT1 ATOM 5327 H1 TIP3 1116 20.279 -9.413 5.687 0.00 0.00 WAT1 ATOM 5328 H2 TIP3 1116 18.801 -9.724 5.579 0.00 0.00 WAT1 ATOM 5329 OH2 TIP3 1117 25.335 -7.239 10.297 0.00 0.00 WAT1 ATOM 5330 H1 TIP3 1117 25.094 -6.314 10.339 0.00 0.00 WAT1 ATOM 5331 H2 TIP3 1117 24.595 -7.698 10.693 0.00 0.00 WAT1 ATOM 5332 OH2 TIP3 1118 24.019 -2.217 9.842 0.00 0.00 WAT1 ATOM 5333 H1 TIP3 1118 23.069 -2.112 9.894 0.00 0.00 WAT1 ATOM 5334 H2 TIP3 1118 24.370 -1.397 10.187 0.00 0.00 WAT1 ATOM 5335 OH2 TIP3 1119 31.597 -6.062 5.387 0.00 0.00 WAT1 ATOM 5336 H1 TIP3 1119 31.950 -6.442 6.191 0.00 0.00 WAT1 ATOM 5337 H2 TIP3 1119 30.648 -6.155 5.473 0.00 0.00 WAT1 ATOM 5338 OH2 TIP3 1120 24.625 -5.380 6.290 0.00 0.00 WAT1 ATOM 5339 H1 TIP3 1120 24.772 -5.900 7.080 0.00 0.00 WAT1 ATOM 5340 H2 TIP3 1120 24.622 -4.473 6.596 0.00 0.00 WAT1 ATOM 5341 OH2 TIP3 1121 21.078 -8.127 6.800 0.00 0.00 WAT1 ATOM 5342 H1 TIP3 1121 20.392 -7.775 7.367 0.00 0.00 WAT1 ATOM 5343 H2 TIP3 1121 21.601 -7.364 6.554 0.00 0.00 WAT1 ATOM 5344 OH2 TIP3 1122 28.910 -15.465 17.079 0.00 0.00 WAT1 ATOM 5345 H1 TIP3 1122 29.608 -15.391 17.729 0.00 0.00 WAT1 ATOM 5346 H2 TIP3 1122 28.529 -16.329 17.234 0.00 0.00 WAT1 ATOM 5347 OH2 TIP3 1123 27.363 -3.682 7.039 0.00 0.00 WAT1 ATOM 5348 H1 TIP3 1123 26.546 -3.185 7.092 0.00 0.00 WAT1 ATOM 5349 H2 TIP3 1123 27.892 -3.207 6.399 0.00 0.00 WAT1 ATOM 5350 OH2 TIP3 1124 27.430 -13.099 18.196 0.00 0.00 WAT1 ATOM 5351 H1 TIP3 1124 27.549 -12.525 18.953 0.00 0.00 WAT1 ATOM 5352 H2 TIP3 1124 28.085 -13.787 18.311 0.00 0.00 WAT1 ATOM 5353 OH2 TIP3 1125 24.701 -2.639 7.021 0.00 0.00 WAT1 ATOM 5354 H1 TIP3 1125 24.862 -1.839 6.520 0.00 0.00 WAT1 ATOM 5355 H2 TIP3 1125 24.504 -2.332 7.906 0.00 0.00 WAT1 ATOM 5356 OH2 TIP3 1126 20.010 -12.849 4.813 0.00 0.00 WAT1 ATOM 5357 H1 TIP3 1126 19.965 -11.910 4.992 0.00 0.00 WAT1 ATOM 5358 H2 TIP3 1126 19.122 -13.085 4.543 0.00 0.00 WAT1 ATOM 5359 OH2 TIP3 1127 19.748 -4.127 9.647 0.00 0.00 WAT1 ATOM 5360 H1 TIP3 1127 18.916 -3.654 9.674 0.00 0.00 WAT1 ATOM 5361 H2 TIP3 1127 20.294 -3.617 9.048 0.00 0.00 WAT1 ATOM 5362 OH2 TIP3 1128 32.330 -3.270 4.206 0.00 0.00 WAT1 ATOM 5363 H1 TIP3 1128 32.613 -4.064 4.659 0.00 0.00 WAT1 ATOM 5364 H2 TIP3 1128 33.070 -3.037 3.645 0.00 0.00 WAT1 ATOM 5365 OH2 TIP3 1129 18.944 -7.704 21.931 0.00 0.00 WAT1 ATOM 5366 H1 TIP3 1129 19.088 -8.606 21.645 0.00 0.00 WAT1 ATOM 5367 H2 TIP3 1129 18.171 -7.418 21.443 0.00 0.00 WAT1 ATOM 5368 OH2 TIP3 1130 23.285 -7.360 4.063 0.00 0.00 WAT1 ATOM 5369 H1 TIP3 1130 23.349 -8.154 4.594 0.00 0.00 WAT1 ATOM 5370 H2 TIP3 1130 23.938 -7.479 3.374 0.00 0.00 WAT1 ATOM 5371 OH2 TIP3 1131 25.599 -7.734 21.364 0.00 0.00 WAT1 ATOM 5372 H1 TIP3 1131 25.271 -7.463 20.506 0.00 0.00 WAT1 ATOM 5373 H2 TIP3 1131 25.751 -8.675 21.276 0.00 0.00 WAT1 ATOM 5374 OH2 TIP3 1132 28.637 -6.313 3.799 0.00 0.00 WAT1 ATOM 5375 H1 TIP3 1132 28.369 -6.133 4.700 0.00 0.00 WAT1 ATOM 5376 H2 TIP3 1132 28.431 -7.239 3.668 0.00 0.00 WAT1 ATOM 5377 OH2 TIP3 1133 24.434 -9.388 6.369 0.00 0.00 WAT1 ATOM 5378 H1 TIP3 1133 23.975 -9.872 7.055 0.00 0.00 WAT1 ATOM 5379 H2 TIP3 1133 24.689 -10.056 5.733 0.00 0.00 WAT1 ATOM 5380 OH2 TIP3 1134 28.743 -9.024 22.003 0.00 0.00 WAT1 ATOM 5381 H1 TIP3 1134 29.696 -8.940 21.975 0.00 0.00 WAT1 ATOM 5382 H2 TIP3 1134 28.583 -9.735 22.622 0.00 0.00 WAT1 ATOM 5383 OH2 TIP3 1135 26.057 -10.331 17.540 0.00 0.00 WAT1 ATOM 5384 H1 TIP3 1135 26.808 -10.487 16.967 0.00 0.00 WAT1 ATOM 5385 H2 TIP3 1135 25.718 -9.479 17.264 0.00 0.00 WAT1 ATOM 5386 OH2 TIP3 1136 30.473 -12.516 22.568 0.00 0.00 WAT1 ATOM 5387 H1 TIP3 1136 30.665 -13.447 22.457 0.00 0.00 WAT1 ATOM 5388 H2 TIP3 1136 31.330 -12.091 22.558 0.00 0.00 WAT1 ATOM 5389 OH2 TIP3 1137 31.789 -9.727 20.646 0.00 0.00 WAT1 ATOM 5390 H1 TIP3 1137 31.508 -9.018 20.068 0.00 0.00 WAT1 ATOM 5391 H2 TIP3 1137 32.732 -9.800 20.495 0.00 0.00 WAT1 ATOM 5392 OH2 TIP3 1138 30.895 -16.231 22.376 0.00 0.00 WAT1 ATOM 5393 H1 TIP3 1138 30.798 -17.183 22.370 0.00 0.00 WAT1 ATOM 5394 H2 TIP3 1138 30.573 -15.962 23.237 0.00 0.00 WAT1 ATOM 5395 OH2 TIP3 1139 17.620 -0.425 10.193 0.00 0.00 WAT1 ATOM 5396 H1 TIP3 1139 16.973 -0.887 9.660 0.00 0.00 WAT1 ATOM 5397 H2 TIP3 1139 17.975 -1.097 10.776 0.00 0.00 WAT1 ATOM 5398 OH2 TIP3 1140 18.490 -2.344 11.998 0.00 0.00 WAT1 ATOM 5399 H1 TIP3 1140 18.156 -3.225 12.170 0.00 0.00 WAT1 ATOM 5400 H2 TIP3 1140 18.712 -1.999 12.862 0.00 0.00 WAT1 ATOM 5401 OH2 TIP3 1141 18.570 -9.269 14.449 0.00 0.00 WAT1 ATOM 5402 H1 TIP3 1141 18.754 -9.351 13.514 0.00 0.00 WAT1 ATOM 5403 H2 TIP3 1141 19.419 -9.393 14.873 0.00 0.00 WAT1 ATOM 5404 OH2 TIP3 1142 19.389 -15.686 13.481 0.00 0.00 WAT1 ATOM 5405 H1 TIP3 1142 19.834 -16.478 13.783 0.00 0.00 WAT1 ATOM 5406 H2 TIP3 1142 19.855 -14.970 13.912 0.00 0.00 WAT1 ATOM 5407 OH2 TIP3 1143 17.693 -12.687 14.550 0.00 0.00 WAT1 ATOM 5408 H1 TIP3 1143 18.185 -12.908 13.760 0.00 0.00 WAT1 ATOM 5409 H2 TIP3 1143 18.055 -11.846 14.831 0.00 0.00 WAT1 ATOM 5410 OH2 TIP3 1144 18.006 -16.429 8.605 0.00 0.00 WAT1 ATOM 5411 H1 TIP3 1144 17.081 -16.220 8.475 0.00 0.00 WAT1 ATOM 5412 H2 TIP3 1144 18.460 -15.945 7.915 0.00 0.00 WAT1 ATOM 5413 OH2 TIP3 1145 20.162 -4.516 21.093 0.00 0.00 WAT1 ATOM 5414 H1 TIP3 1145 19.341 -4.341 20.633 0.00 0.00 WAT1 ATOM 5415 H2 TIP3 1145 19.910 -4.589 22.014 0.00 0.00 WAT1 ATOM 5416 OH2 TIP3 1146 22.074 -2.952 12.965 0.00 0.00 WAT1 ATOM 5417 H1 TIP3 1146 21.855 -3.868 13.134 0.00 0.00 WAT1 ATOM 5418 H2 TIP3 1146 22.898 -2.812 13.431 0.00 0.00 WAT1 ATOM 5419 OH2 TIP3 1147 28.120 -16.818 12.958 0.00 0.00 WAT1 ATOM 5420 H1 TIP3 1147 27.445 -17.447 13.213 0.00 0.00 WAT1 ATOM 5421 H2 TIP3 1147 28.684 -17.302 12.355 0.00 0.00 WAT1 ATOM 5422 OH2 TIP3 1148 20.446 -18.184 10.780 0.00 0.00 WAT1 ATOM 5423 H1 TIP3 1148 19.669 -18.418 10.272 0.00 0.00 WAT1 ATOM 5424 H2 TIP3 1148 20.977 -18.981 10.788 0.00 0.00 WAT1 ATOM 5425 OH2 TIP3 1149 19.283 -18.386 6.583 0.00 0.00 WAT1 ATOM 5426 H1 TIP3 1149 19.722 -17.775 5.992 0.00 0.00 WAT1 ATOM 5427 H2 TIP3 1149 18.649 -17.848 7.057 0.00 0.00 WAT1 ATOM 5428 OH2 TIP3 1150 25.026 -18.257 10.593 0.00 0.00 WAT1 ATOM 5429 H1 TIP3 1150 25.900 -17.869 10.563 0.00 0.00 WAT1 ATOM 5430 H2 TIP3 1150 24.890 -18.472 11.516 0.00 0.00 WAT1 ATOM 5431 OH2 TIP3 1151 21.144 -16.470 5.026 0.00 0.00 WAT1 ATOM 5432 H1 TIP3 1151 21.635 -17.100 4.498 0.00 0.00 WAT1 ATOM 5433 H2 TIP3 1151 21.767 -16.174 5.689 0.00 0.00 WAT1 ATOM 5434 OH2 TIP3 1152 30.799 -18.987 22.015 0.00 0.00 WAT1 ATOM 5435 H1 TIP3 1152 30.875 -19.413 22.869 0.00 0.00 WAT1 ATOM 5436 H2 TIP3 1152 31.692 -18.973 21.673 0.00 0.00 WAT1 ATOM 5437 OH2 TIP3 1153 20.826 -10.158 34.606 0.00 0.00 WAT1 ATOM 5438 H1 TIP3 1153 20.868 -10.784 35.330 0.00 0.00 WAT1 ATOM 5439 H2 TIP3 1153 21.529 -9.535 34.788 0.00 0.00 WAT1 ATOM 5440 OH2 TIP3 1154 24.919 -10.898 30.997 0.00 0.00 WAT1 ATOM 5441 H1 TIP3 1154 25.535 -11.424 31.506 0.00 0.00 WAT1 ATOM 5442 H2 TIP3 1154 24.333 -11.538 30.593 0.00 0.00 WAT1 ATOM 5443 OH2 TIP3 1155 19.051 -6.616 26.950 0.00 0.00 WAT1 ATOM 5444 H1 TIP3 1155 18.779 -6.387 26.061 0.00 0.00 WAT1 ATOM 5445 H2 TIP3 1155 19.096 -5.778 27.410 0.00 0.00 WAT1 ATOM 5446 OH2 TIP3 1156 25.979 -18.621 32.546 0.00 0.00 WAT1 ATOM 5447 H1 TIP3 1156 25.862 -19.570 32.492 0.00 0.00 WAT1 ATOM 5448 H2 TIP3 1156 25.124 -18.289 32.819 0.00 0.00 WAT1 ATOM 5449 OH2 TIP3 1157 28.246 -9.784 27.046 0.00 0.00 WAT1 ATOM 5450 H1 TIP3 1157 27.534 -9.249 26.695 0.00 0.00 WAT1 ATOM 5451 H2 TIP3 1157 28.937 -9.728 26.386 0.00 0.00 WAT1 ATOM 5452 OH2 TIP3 1158 28.300 -11.326 24.085 0.00 0.00 WAT1 ATOM 5453 H1 TIP3 1158 29.001 -11.304 24.736 0.00 0.00 WAT1 ATOM 5454 H2 TIP3 1158 28.602 -11.954 23.429 0.00 0.00 WAT1 ATOM 5455 OH2 TIP3 1159 23.297 -8.944 29.881 0.00 0.00 WAT1 ATOM 5456 H1 TIP3 1159 22.967 -9.314 29.062 0.00 0.00 WAT1 ATOM 5457 H2 TIP3 1159 23.885 -9.614 30.227 0.00 0.00 WAT1 ATOM 5458 OH2 TIP3 1160 23.664 -10.175 33.514 0.00 0.00 WAT1 ATOM 5459 H1 TIP3 1160 24.229 -10.054 32.751 0.00 0.00 WAT1 ATOM 5460 H2 TIP3 1160 23.983 -9.538 34.153 0.00 0.00 WAT1 ATOM 5461 OH2 TIP3 1161 30.523 -10.412 25.683 0.00 0.00 WAT1 ATOM 5462 H1 TIP3 1161 31.102 -10.262 26.430 0.00 0.00 WAT1 ATOM 5463 H2 TIP3 1161 30.937 -9.941 24.960 0.00 0.00 WAT1 ATOM 5464 OH2 TIP3 1162 21.464 -9.578 37.460 0.00 0.00 WAT1 ATOM 5465 H1 TIP3 1162 21.534 -8.927 38.158 0.00 0.00 WAT1 ATOM 5466 H2 TIP3 1162 20.573 -9.475 37.125 0.00 0.00 WAT1 ATOM 5467 OH2 TIP3 1163 18.380 -7.511 36.285 0.00 0.00 WAT1 ATOM 5468 H1 TIP3 1163 17.879 -7.539 35.470 0.00 0.00 WAT1 ATOM 5469 H2 TIP3 1163 18.386 -8.417 36.595 0.00 0.00 WAT1 ATOM 5470 OH2 TIP3 1164 23.248 -17.718 33.324 0.00 0.00 WAT1 ATOM 5471 H1 TIP3 1164 22.387 -17.805 32.916 0.00 0.00 WAT1 ATOM 5472 H2 TIP3 1164 23.226 -16.862 33.751 0.00 0.00 WAT1 ATOM 5473 OH2 TIP3 1165 32.000 -9.379 23.313 0.00 0.00 WAT1 ATOM 5474 H1 TIP3 1165 32.042 -9.602 22.383 0.00 0.00 WAT1 ATOM 5475 H2 TIP3 1165 32.849 -8.981 23.503 0.00 0.00 WAT1 ATOM 5476 OH2 TIP3 1166 23.339 -12.752 34.419 0.00 0.00 WAT1 ATOM 5477 H1 TIP3 1166 22.697 -12.793 35.128 0.00 0.00 WAT1 ATOM 5478 H2 TIP3 1166 23.376 -11.826 34.181 0.00 0.00 WAT1 ATOM 5479 OH2 TIP3 1167 28.872 -12.115 28.148 0.00 0.00 WAT1 ATOM 5480 H1 TIP3 1167 28.463 -11.300 27.856 0.00 0.00 WAT1 ATOM 5481 H2 TIP3 1167 29.592 -12.255 27.533 0.00 0.00 WAT1 ATOM 5482 OH2 TIP3 1168 21.089 -12.432 36.286 0.00 0.00 WAT1 ATOM 5483 H1 TIP3 1168 21.051 -12.032 37.154 0.00 0.00 WAT1 ATOM 5484 H2 TIP3 1168 20.598 -13.249 36.376 0.00 0.00 WAT1 ATOM 5485 OH2 TIP3 1169 25.918 -15.104 30.417 0.00 0.00 WAT1 ATOM 5486 H1 TIP3 1169 25.007 -15.047 30.706 0.00 0.00 WAT1 ATOM 5487 H2 TIP3 1169 26.423 -15.164 31.228 0.00 0.00 WAT1 ATOM 5488 OH2 TIP3 1170 27.238 -12.316 32.304 0.00 0.00 WAT1 ATOM 5489 H1 TIP3 1170 27.802 -12.863 31.757 0.00 0.00 WAT1 ATOM 5490 H2 TIP3 1170 27.090 -12.838 33.093 0.00 0.00 WAT1 ATOM 5491 OH2 TIP3 1171 25.864 -13.928 34.718 0.00 0.00 WAT1 ATOM 5492 H1 TIP3 1171 25.029 -13.474 34.828 0.00 0.00 WAT1 ATOM 5493 H2 TIP3 1171 26.388 -13.652 35.470 0.00 0.00 WAT1 ATOM 5494 OH2 TIP3 1172 26.408 -7.715 26.403 0.00 0.00 WAT1 ATOM 5495 H1 TIP3 1172 25.664 -8.222 26.080 0.00 0.00 WAT1 ATOM 5496 H2 TIP3 1172 26.274 -7.666 27.349 0.00 0.00 WAT1 ATOM 5497 OH2 TIP3 1173 30.306 -14.901 24.602 0.00 0.00 WAT1 ATOM 5498 H1 TIP3 1173 29.368 -14.789 24.451 0.00 0.00 WAT1 ATOM 5499 H2 TIP3 1173 30.603 -14.044 24.908 0.00 0.00 WAT1 ATOM 5500 OH2 TIP3 1174 31.024 -13.034 26.263 0.00 0.00 WAT1 ATOM 5501 H1 TIP3 1174 31.916 -13.171 26.582 0.00 0.00 WAT1 ATOM 5502 H2 TIP3 1174 31.081 -12.243 25.726 0.00 0.00 WAT1 ATOM 5503 OH2 TIP3 1175 21.533 -8.420 32.172 0.00 0.00 WAT1 ATOM 5504 H1 TIP3 1175 22.278 -8.422 31.571 0.00 0.00 WAT1 ATOM 5505 H2 TIP3 1175 21.611 -9.244 32.654 0.00 0.00 WAT1 ATOM 5506 OH2 TIP3 1176 18.541 -9.959 37.487 0.00 0.00 WAT1 ATOM 5507 H1 TIP3 1176 18.764 -10.377 38.319 0.00 0.00 WAT1 ATOM 5508 H2 TIP3 1176 17.939 -10.572 37.065 0.00 0.00 WAT1 ATOM 5509 OH2 TIP3 1177 23.908 -4.902 29.577 0.00 0.00 WAT1 ATOM 5510 H1 TIP3 1177 24.435 -4.129 29.376 0.00 0.00 WAT1 ATOM 5511 H2 TIP3 1177 23.028 -4.677 29.275 0.00 0.00 WAT1 ATOM 5512 OH2 TIP3 1178 25.335 -7.239 29.153 0.00 0.00 WAT1 ATOM 5513 H1 TIP3 1178 25.094 -6.314 29.195 0.00 0.00 WAT1 ATOM 5514 H2 TIP3 1178 24.595 -7.698 29.549 0.00 0.00 WAT1 ATOM 5515 OH2 TIP3 1179 20.175 -15.206 37.045 0.00 0.00 WAT1 ATOM 5516 H1 TIP3 1179 19.282 -14.867 36.978 0.00 0.00 WAT1 ATOM 5517 H2 TIP3 1179 20.076 -16.061 37.463 0.00 0.00 WAT1 ATOM 5518 OH2 TIP3 1180 25.688 -4.950 22.690 0.00 0.00 WAT1 ATOM 5519 H1 TIP3 1180 25.927 -5.698 22.142 0.00 0.00 WAT1 ATOM 5520 H2 TIP3 1180 25.419 -5.338 23.522 0.00 0.00 WAT1 ATOM 5521 OH2 TIP3 1181 24.625 -5.380 25.146 0.00 0.00 WAT1 ATOM 5522 H1 TIP3 1181 24.772 -5.900 25.936 0.00 0.00 WAT1 ATOM 5523 H2 TIP3 1181 24.622 -4.473 25.452 0.00 0.00 WAT1 ATOM 5524 OH2 TIP3 1182 29.694 -15.813 27.032 0.00 0.00 WAT1 ATOM 5525 H1 TIP3 1182 29.914 -15.341 26.229 0.00 0.00 WAT1 ATOM 5526 H2 TIP3 1182 30.252 -15.418 27.703 0.00 0.00 WAT1 ATOM 5527 OH2 TIP3 1183 26.894 -14.085 27.867 0.00 0.00 WAT1 ATOM 5528 H1 TIP3 1183 27.706 -13.581 27.913 0.00 0.00 WAT1 ATOM 5529 H2 TIP3 1183 26.649 -14.230 28.781 0.00 0.00 WAT1 ATOM 5530 OH2 TIP3 1184 27.778 -17.004 28.805 0.00 0.00 WAT1 ATOM 5531 H1 TIP3 1184 27.431 -16.386 29.450 0.00 0.00 WAT1 ATOM 5532 H2 TIP3 1184 28.436 -16.503 28.324 0.00 0.00 WAT1 ATOM 5533 OH2 TIP3 1185 21.694 -5.513 24.553 0.00 0.00 WAT1 ATOM 5534 H1 TIP3 1185 22.286 -4.814 24.829 0.00 0.00 WAT1 ATOM 5535 H2 TIP3 1185 22.153 -5.946 23.834 0.00 0.00 WAT1 ATOM 5536 OH2 TIP3 1186 19.748 -4.127 28.503 0.00 0.00 WAT1 ATOM 5537 H1 TIP3 1186 18.916 -3.654 28.530 0.00 0.00 WAT1 ATOM 5538 H2 TIP3 1186 20.294 -3.617 27.904 0.00 0.00 WAT1 ATOM 5539 OH2 TIP3 1187 23.285 -7.360 22.919 0.00 0.00 WAT1 ATOM 5540 H1 TIP3 1187 23.349 -8.154 23.450 0.00 0.00 WAT1 ATOM 5541 H2 TIP3 1187 23.938 -7.479 22.230 0.00 0.00 WAT1 ATOM 5542 OH2 TIP3 1188 23.723 -11.495 37.581 0.00 0.00 WAT1 ATOM 5543 H1 TIP3 1188 23.105 -10.820 37.862 0.00 0.00 WAT1 ATOM 5544 H2 TIP3 1188 24.067 -11.174 36.748 0.00 0.00 WAT1 ATOM 5545 OH2 TIP3 1189 24.063 -14.140 38.664 0.00 0.00 WAT1 ATOM 5546 H1 TIP3 1189 24.213 -14.869 38.061 0.00 0.00 WAT1 ATOM 5547 H2 TIP3 1189 24.065 -13.363 38.105 0.00 0.00 WAT1 ATOM 5548 OH2 TIP3 1190 24.475 -15.770 36.156 0.00 0.00 WAT1 ATOM 5549 H1 TIP3 1190 25.011 -15.319 35.504 0.00 0.00 WAT1 ATOM 5550 H2 TIP3 1190 23.623 -15.878 35.734 0.00 0.00 WAT1 ATOM 5551 OH2 TIP3 1191 25.281 -18.314 36.588 0.00 0.00 WAT1 ATOM 5552 H1 TIP3 1191 25.183 -17.367 36.482 0.00 0.00 WAT1 ATOM 5553 H2 TIP3 1191 24.538 -18.686 36.112 0.00 0.00 WAT1 ATOM 5554 OH2 TIP3 1192 20.722 -15.021 40.280 0.00 0.00 WAT1 ATOM 5555 H1 TIP3 1192 20.933 -15.728 39.669 0.00 0.00 WAT1 ATOM 5556 H2 TIP3 1192 20.610 -15.459 41.124 0.00 0.00 WAT1 ATOM 5557 OH2 TIP3 1193 18.971 -5.818 23.972 0.00 0.00 WAT1 ATOM 5558 H1 TIP3 1193 19.885 -5.739 24.245 0.00 0.00 WAT1 ATOM 5559 H2 TIP3 1193 18.978 -6.505 23.305 0.00 0.00 WAT1 ATOM 5560 OH2 TIP3 1194 18.570 -9.269 33.305 0.00 0.00 WAT1 ATOM 5561 H1 TIP3 1194 18.754 -9.351 32.370 0.00 0.00 WAT1 ATOM 5562 H2 TIP3 1194 19.419 -9.393 33.729 0.00 0.00 WAT1 ATOM 5563 OH2 TIP3 1195 18.168 -13.998 39.446 0.00 0.00 WAT1 ATOM 5564 H1 TIP3 1195 19.087 -14.120 39.682 0.00 0.00 WAT1 ATOM 5565 H2 TIP3 1195 17.718 -14.748 39.835 0.00 0.00 WAT1 ATOM 5566 OH2 TIP3 1196 25.026 -18.257 29.449 0.00 0.00 WAT1 ATOM 5567 H1 TIP3 1196 25.900 -17.869 29.419 0.00 0.00 WAT1 ATOM 5568 H2 TIP3 1196 24.890 -18.472 30.372 0.00 0.00 WAT1 ATOM 5569 OH2 TIP3 1197 26.170 -16.177 26.339 0.00 0.00 WAT1 ATOM 5570 H1 TIP3 1197 26.348 -16.823 27.022 0.00 0.00 WAT1 ATOM 5571 H2 TIP3 1197 26.116 -15.343 26.806 0.00 0.00 WAT1 ATOM 5572 OH2 TIP3 1198 20.404 -17.670 39.153 0.00 0.00 WAT1 ATOM 5573 H1 TIP3 1198 20.038 -18.435 39.596 0.00 0.00 WAT1 ATOM 5574 H2 TIP3 1198 21.317 -17.641 39.440 0.00 0.00 WAT1 ATOM 5575 OH2 TIP3 1199 23.143 4.011 -6.693 0.00 0.00 WAT1 ATOM 5576 H1 TIP3 1199 23.186 4.871 -7.111 0.00 0.00 WAT1 ATOM 5577 H2 TIP3 1199 22.685 3.459 -7.326 0.00 0.00 WAT1 ATOM 5578 OH2 TIP3 1200 21.547 4.821 -4.666 0.00 0.00 WAT1 ATOM 5579 H1 TIP3 1200 22.160 5.454 -4.293 0.00 0.00 WAT1 ATOM 5580 H2 TIP3 1200 22.059 4.349 -5.323 0.00 0.00 WAT1 ATOM 5581 OH2 TIP3 1201 25.979 0.235 -5.166 0.00 0.00 WAT1 ATOM 5582 H1 TIP3 1201 25.862 -0.714 -5.220 0.00 0.00 WAT1 ATOM 5583 H2 TIP3 1201 25.124 0.567 -4.893 0.00 0.00 WAT1 ATOM 5584 OH2 TIP3 1202 31.237 4.616 -0.160 0.00 0.00 WAT1 ATOM 5585 H1 TIP3 1202 30.723 4.490 0.637 0.00 0.00 WAT1 ATOM 5586 H2 TIP3 1202 31.082 5.528 -0.405 0.00 0.00 WAT1 ATOM 5587 OH2 TIP3 1203 23.339 6.104 -3.293 0.00 0.00 WAT1 ATOM 5588 H1 TIP3 1203 22.697 6.063 -2.584 0.00 0.00 WAT1 ATOM 5589 H2 TIP3 1203 23.376 7.030 -3.531 0.00 0.00 WAT1 ATOM 5590 OH2 TIP3 1204 21.089 6.424 -1.426 0.00 0.00 WAT1 ATOM 5591 H1 TIP3 1204 21.051 6.824 -0.558 0.00 0.00 WAT1 ATOM 5592 H2 TIP3 1204 20.598 5.607 -1.336 0.00 0.00 WAT1 ATOM 5593 OH2 TIP3 1205 25.918 3.752 -7.295 0.00 0.00 WAT1 ATOM 5594 H1 TIP3 1205 25.007 3.809 -7.006 0.00 0.00 WAT1 ATOM 5595 H2 TIP3 1205 26.423 3.692 -6.484 0.00 0.00 WAT1 ATOM 5596 OH2 TIP3 1206 30.323 2.987 -4.031 0.00 0.00 WAT1 ATOM 5597 H1 TIP3 1206 29.646 3.118 -3.367 0.00 0.00 WAT1 ATOM 5598 H2 TIP3 1206 29.837 2.832 -4.841 0.00 0.00 WAT1 ATOM 5599 OH2 TIP3 1207 25.864 4.928 -2.994 0.00 0.00 WAT1 ATOM 5600 H1 TIP3 1207 25.029 5.382 -2.884 0.00 0.00 WAT1 ATOM 5601 H2 TIP3 1207 26.388 5.204 -2.242 0.00 0.00 WAT1 ATOM 5602 OH2 TIP3 1208 28.910 3.391 -1.777 0.00 0.00 WAT1 ATOM 5603 H1 TIP3 1208 29.608 3.465 -1.127 0.00 0.00 WAT1 ATOM 5604 H2 TIP3 1208 28.529 2.527 -1.622 0.00 0.00 WAT1 ATOM 5605 OH2 TIP3 1209 27.430 5.757 -0.660 0.00 0.00 WAT1 ATOM 5606 H1 TIP3 1209 27.549 6.331 0.097 0.00 0.00 WAT1 ATOM 5607 H2 TIP3 1209 28.085 5.069 -0.545 0.00 0.00 WAT1 ATOM 5608 OH2 TIP3 1210 20.818 0.789 -5.370 0.00 0.00 WAT1 ATOM 5609 H1 TIP3 1210 20.589 0.848 -6.297 0.00 0.00 WAT1 ATOM 5610 H2 TIP3 1210 20.375 -0.003 -5.063 0.00 0.00 WAT1 ATOM 5611 OH2 TIP3 1211 23.723 7.361 -0.131 0.00 0.00 WAT1 ATOM 5612 H1 TIP3 1211 23.105 8.036 0.150 0.00 0.00 WAT1 ATOM 5613 H2 TIP3 1211 24.067 7.682 -0.964 0.00 0.00 WAT1 ATOM 5614 OH2 TIP3 1212 24.063 4.716 0.952 0.00 0.00 WAT1 ATOM 5615 H1 TIP3 1212 24.213 3.987 0.349 0.00 0.00 WAT1 ATOM 5616 H2 TIP3 1212 24.065 5.493 0.393 0.00 0.00 WAT1 ATOM 5617 OH2 TIP3 1213 22.541 5.914 2.863 0.00 0.00 WAT1 ATOM 5618 H1 TIP3 1213 21.774 5.382 2.653 0.00 0.00 WAT1 ATOM 5619 H2 TIP3 1213 23.220 5.604 2.264 0.00 0.00 WAT1 ATOM 5620 OH2 TIP3 1214 26.545 4.864 2.439 0.00 0.00 WAT1 ATOM 5621 H1 TIP3 1214 26.309 4.644 3.341 0.00 0.00 WAT1 ATOM 5622 H2 TIP3 1214 25.762 4.657 1.930 0.00 0.00 WAT1 ATOM 5623 OH2 TIP3 1215 29.261 3.991 1.515 0.00 0.00 WAT1 ATOM 5624 H1 TIP3 1215 28.313 4.023 1.647 0.00 0.00 WAT1 ATOM 5625 H2 TIP3 1215 29.573 3.366 2.169 0.00 0.00 WAT1 ATOM 5626 OH2 TIP3 1216 30.895 2.625 3.520 0.00 0.00 WAT1 ATOM 5627 H1 TIP3 1216 30.798 1.673 3.514 0.00 0.00 WAT1 ATOM 5628 H2 TIP3 1216 30.573 2.894 4.381 0.00 0.00 WAT1 ATOM 5629 OH2 TIP3 1217 20.722 3.835 2.568 0.00 0.00 WAT1 ATOM 5630 H1 TIP3 1217 20.933 3.128 1.957 0.00 0.00 WAT1 ATOM 5631 H2 TIP3 1217 20.610 3.397 3.412 0.00 0.00 WAT1 ATOM 5632 OH2 TIP3 1218 18.168 4.858 1.734 0.00 0.00 WAT1 ATOM 5633 H1 TIP3 1218 19.087 4.736 1.970 0.00 0.00 WAT1 ATOM 5634 H2 TIP3 1218 17.718 4.108 2.123 0.00 0.00 WAT1 ATOM 5635 OH2 TIP3 1219 19.389 3.170 -5.375 0.00 0.00 WAT1 ATOM 5636 H1 TIP3 1219 19.834 2.378 -5.073 0.00 0.00 WAT1 ATOM 5637 H2 TIP3 1219 19.855 3.886 -4.944 0.00 0.00 WAT1 ATOM 5638 OH2 TIP3 1220 28.120 2.038 -5.898 0.00 0.00 WAT1 ATOM 5639 H1 TIP3 1220 27.445 1.409 -5.643 0.00 0.00 WAT1 ATOM 5640 H2 TIP3 1220 28.684 1.554 -6.501 0.00 0.00 WAT1 ATOM 5641 OH2 TIP3 1221 20.446 0.672 -8.076 0.00 0.00 WAT1 ATOM 5642 H1 TIP3 1221 19.669 0.438 -8.584 0.00 0.00 WAT1 ATOM 5643 H2 TIP3 1221 20.977 -0.125 -8.068 0.00 0.00 WAT1 ATOM 5644 OH2 TIP3 1222 25.026 0.599 -8.263 0.00 0.00 WAT1 ATOM 5645 H1 TIP3 1222 25.900 0.987 -8.293 0.00 0.00 WAT1 ATOM 5646 H2 TIP3 1222 24.890 0.384 -7.340 0.00 0.00 WAT1 ATOM 5647 OH2 TIP3 1223 30.799 -0.131 3.159 0.00 0.00 WAT1 ATOM 5648 H1 TIP3 1223 30.875 -0.557 4.013 0.00 0.00 WAT1 ATOM 5649 H2 TIP3 1223 31.692 -0.117 2.817 0.00 0.00 WAT1 ATOM 5650 OH2 TIP3 1224 27.573 3.353 5.127 0.00 0.00 WAT1 ATOM 5651 H1 TIP3 1224 27.319 3.372 6.050 0.00 0.00 WAT1 ATOM 5652 H2 TIP3 1224 27.316 2.481 4.826 0.00 0.00 WAT1 ATOM 5653 OH2 TIP3 1225 24.455 3.798 4.228 0.00 0.00 WAT1 ATOM 5654 H1 TIP3 1225 24.024 3.353 4.958 0.00 0.00 WAT1 ATOM 5655 H2 TIP3 1225 23.737 4.170 3.716 0.00 0.00 WAT1 ATOM 5656 OH2 TIP3 1226 18.972 4.286 6.704 0.00 0.00 WAT1 ATOM 5657 H1 TIP3 1226 19.446 4.877 6.119 0.00 0.00 WAT1 ATOM 5658 H2 TIP3 1226 18.254 4.817 7.051 0.00 0.00 WAT1 ATOM 5659 OH2 TIP3 1227 22.240 2.676 9.866 0.00 0.00 WAT1 ATOM 5660 H1 TIP3 1227 21.923 1.774 9.831 0.00 0.00 WAT1 ATOM 5661 H2 TIP3 1227 23.021 2.678 9.314 0.00 0.00 WAT1 ATOM 5662 OH2 TIP3 1228 30.306 3.955 5.746 0.00 0.00 WAT1 ATOM 5663 H1 TIP3 1228 29.368 4.067 5.595 0.00 0.00 WAT1 ATOM 5664 H2 TIP3 1228 30.603 4.812 6.052 0.00 0.00 WAT1 ATOM 5665 OH2 TIP3 1229 29.694 3.043 8.176 0.00 0.00 WAT1 ATOM 5666 H1 TIP3 1229 29.914 3.515 7.373 0.00 0.00 WAT1 ATOM 5667 H2 TIP3 1229 30.252 3.438 8.847 0.00 0.00 WAT1 ATOM 5668 OH2 TIP3 1230 27.778 1.852 9.949 0.00 0.00 WAT1 ATOM 5669 H1 TIP3 1230 27.431 2.470 10.594 0.00 0.00 WAT1 ATOM 5670 H2 TIP3 1230 28.436 2.353 9.468 0.00 0.00 WAT1 ATOM 5671 OH2 TIP3 1231 23.435 2.915 6.637 0.00 0.00 WAT1 ATOM 5672 H1 TIP3 1231 23.352 3.804 6.983 0.00 0.00 WAT1 ATOM 5673 H2 TIP3 1231 24.325 2.650 6.868 0.00 0.00 WAT1 ATOM 5674 OH2 TIP3 1232 20.010 6.007 4.813 0.00 0.00 WAT1 ATOM 5675 H1 TIP3 1232 19.965 6.946 4.992 0.00 0.00 WAT1 ATOM 5676 H2 TIP3 1232 19.122 5.771 4.543 0.00 0.00 WAT1 ATOM 5677 OH2 TIP3 1233 18.006 2.427 8.605 0.00 0.00 WAT1 ATOM 5678 H1 TIP3 1233 17.081 2.636 8.475 0.00 0.00 WAT1 ATOM 5679 H2 TIP3 1233 18.460 2.911 7.915 0.00 0.00 WAT1 ATOM 5680 OH2 TIP3 1234 20.446 0.672 10.780 0.00 0.00 WAT1 ATOM 5681 H1 TIP3 1234 19.669 0.438 10.272 0.00 0.00 WAT1 ATOM 5682 H2 TIP3 1234 20.977 -0.125 10.788 0.00 0.00 WAT1 ATOM 5683 OH2 TIP3 1235 25.026 0.599 10.593 0.00 0.00 WAT1 ATOM 5684 H1 TIP3 1235 25.900 0.987 10.563 0.00 0.00 WAT1 ATOM 5685 H2 TIP3 1235 24.890 0.384 11.516 0.00 0.00 WAT1 ATOM 5686 OH2 TIP3 1236 31.936 0.655 7.935 0.00 0.00 WAT1 ATOM 5687 H1 TIP3 1236 31.233 1.269 7.725 0.00 0.00 WAT1 ATOM 5688 H2 TIP3 1236 31.491 -0.183 8.066 0.00 0.00 WAT1 ATOM 5689 OH2 TIP3 1237 21.144 2.386 5.026 0.00 0.00 WAT1 ATOM 5690 H1 TIP3 1237 21.635 1.756 4.498 0.00 0.00 WAT1 ATOM 5691 H2 TIP3 1237 21.767 2.682 5.689 0.00 0.00 WAT1 ATOM 5692 OH2 TIP3 1238 26.170 2.679 7.483 0.00 0.00 WAT1 ATOM 5693 H1 TIP3 1238 26.348 2.033 8.166 0.00 0.00 WAT1 ATOM 5694 H2 TIP3 1238 26.116 3.513 7.950 0.00 0.00 WAT1 END