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 14:06:12 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 16.036 -5.711 9.825 1.00 52.05 ATOM 2 CB MET 1 16.042 -3.713 10.606 1.00 64.11 ATOM 3 HB1 MET 1 15.647 -3.812 11.611 1.00 38.61 ATOM 4 HB2 MET 1 15.750 -2.744 10.223 1.00 32.42 ATOM 5 CG MET 1 17.558 -3.776 10.711 1.00 55.12 ATOM 6 HG1 MET 1 17.873 -4.810 10.771 1.00 38.61 ATOM 7 HG2 MET 1 17.859 -3.262 11.612 1.00 1.03 ATOM 8 SD MET 1 18.384 -2.998 9.309 1.00 33.34 ATOM 9 CE MET 1 18.114 -1.266 9.676 1.00 73.01 ATOM 10 HE1 MET 1 17.055 -1.054 9.657 1.00 65.42 ATOM 11 HE2 MET 1 18.616 -0.659 8.937 1.00 22.12 ATOM 12 HE3 MET 1 18.508 -1.040 10.656 1.00 25.40 ATOM 13 C MET 1 14.013 -5.105 10.156 1.00 53.42 ATOM 14 O MET 1 13.179 -4.204 10.234 1.00 53.53 ATOM 15 N MET 1 15.490 -4.409 8.319 1.00 2.04 ATOM 16 HT1 MET 1 14.918 -5.059 7.737 1.00 38.61 ATOM 17 HT2 MET 1 16.461 -4.445 7.965 1.00 38.61 ATOM 18 HT3 MET 1 15.118 -3.443 8.193 1.00 38.61 ATOM 19 CA MET 1 15.445 -4.809 9.721 1.00 14.32 ATOM 20 N GLY 2 13.735 -6.374 10.438 1.00 55.03 ATOM 21 HN GLY 2 14.434 -7.062 10.362 1.00 38.61 ATOM 22 CA GLY 2 12.403 -6.765 10.860 1.00 35.33 ATOM 23 HA1 GLY 2 11.922 -5.949 11.387 1.00 38.61 ATOM 24 HA2 GLY 2 12.493 -7.602 11.538 1.00 51.53 ATOM 25 C GLY 2 11.524 -7.182 9.697 1.00 2.13 ATOM 26 O GLY 2 10.635 -6.437 9.284 1.00 72.35 ATOM 27 N HIS 3 11.774 -8.375 9.167 1.00 51.23 ATOM 28 HN HIS 3 12.505 -8.928 9.530 1.00 38.61 ATOM 29 CA HIS 3 10.999 -8.889 8.043 1.00 43.02 ATOM 30 HA HIS 3 10.122 -8.265 7.898 1.00 33.33 ATOM 31 CB HIS 3 11.837 -8.863 6.764 1.00 23.12 ATOM 32 HB1 HIS 3 11.327 -9.415 5.983 1.00 38.61 ATOM 33 HB2 HIS 3 12.792 -9.328 6.958 1.00 13.24 ATOM 34 CG HIS 3 12.095 -7.482 6.245 1.00 63.20 ATOM 35 ND1 HIS 3 13.334 -7.061 5.809 1.00 71.43 ATOM 36 HD1 HIS 3 14.150 -7.603 5.794 1.00 32.13 ATOM 37 CD2 HIS 3 11.265 -6.424 6.092 1.00 72.42 ATOM 38 HD2 HIS 3 10.212 -6.396 6.334 1.00 64.14 ATOM 39 CE1 HIS 3 13.254 -5.804 5.411 1.00 4.04 ATOM 40 HE1 HIS 3 14.068 -5.212 5.019 1.00 42.32 ATOM 41 NE2 HIS 3 12.009 -5.394 5.572 1.00 22.04 ATOM 42 HE2 HIS 3 11.654 -4.533 5.267 1.00 38.61 ATOM 43 C HIS 3 10.517 -10.310 8.320 1.00 13.52 ATOM 44 O HIS 3 11.096 -11.024 9.139 1.00 34.03 ATOM 45 N HIS 4 9.453 -10.713 7.633 1.00 14.32 ATOM 46 HN HIS 4 9.029 -10.104 6.986 1.00 38.61 ATOM 47 CA HIS 4 8.892 -12.048 7.806 1.00 60.21 ATOM 48 HA HIS 4 9.442 -12.574 8.576 1.00 2.31 ATOM 49 CB HIS 4 7.429 -11.958 8.240 1.00 53.20 ATOM 50 HB1 HIS 4 7.056 -12.951 8.444 1.00 38.61 ATOM 51 HB2 HIS 4 6.846 -11.518 7.442 1.00 71.24 ATOM 52 CG HIS 4 7.219 -11.130 9.470 1.00 11.13 ATOM 53 ND1 HIS 4 8.092 -11.133 10.537 1.00 3.23 ATOM 54 HD1 HIS 4 8.915 -11.661 10.602 1.00 12.21 ATOM 55 CD2 HIS 4 6.228 -10.268 9.799 1.00 45.10 ATOM 56 HD2 HIS 4 5.369 -10.017 9.193 1.00 0.52 ATOM 57 CE1 HIS 4 7.647 -10.310 11.470 1.00 42.21 ATOM 58 HE1 HIS 4 8.126 -10.110 12.417 1.00 1.13 ATOM 59 NE2 HIS 4 6.518 -9.772 11.046 1.00 12.33 ATOM 60 HE2 HIS 4 5.933 -9.193 11.578 1.00 38.61 ATOM 61 C HIS 4 9.003 -12.855 6.516 1.00 64.21 ATOM 62 O HIS 4 9.462 -12.348 5.492 1.00 43.01 ATOM 63 N HIS 5 8.581 -14.114 6.573 1.00 65.50 ATOM 64 HN HIS 5 8.238 -14.471 7.427 1.00 38.61 ATOM 65 CA HIS 5 8.634 -14.992 5.409 1.00 42.10 ATOM 66 HA HIS 5 8.208 -14.448 4.570 1.00 65.51 ATOM 67 CB HIS 5 10.083 -15.362 5.088 1.00 15.10 ATOM 68 HB1 HIS 5 10.368 -16.255 5.630 1.00 38.61 ATOM 69 HB2 HIS 5 10.737 -14.555 5.386 1.00 44.53 ATOM 70 CG HIS 5 10.328 -15.613 3.632 1.00 30.31 ATOM 71 ND1 HIS 5 11.421 -15.114 2.956 1.00 41.10 ATOM 72 HD1 HIS 5 12.130 -14.559 3.344 1.00 51.45 ATOM 73 CD2 HIS 5 9.615 -16.318 2.723 1.00 54.23 ATOM 74 HD2 HIS 5 8.704 -16.863 2.904 1.00 51.41 ATOM 75 CE1 HIS 5 11.369 -15.499 1.693 1.00 14.13 ATOM 76 HE1 HIS 5 12.092 -15.258 0.928 1.00 72.10 ATOM 77 NE2 HIS 5 10.282 -16.231 1.526 1.00 61.12 ATOM 78 HE2 HIS 5 10.049 -16.718 0.708 1.00 38.61 ATOM 79 C HIS 5 7.814 -16.257 5.644 1.00 12.53 ATOM 80 O HIS 5 7.945 -16.911 6.679 1.00 5.33 ATOM 81 N HIS 6 6.966 -16.595 4.678 1.00 43.13 ATOM 82 HN HIS 6 6.902 -16.040 3.866 1.00 38.61 ATOM 83 CA HIS 6 6.124 -17.781 4.780 1.00 21.41 ATOM 84 HA HIS 6 6.199 -18.185 5.785 1.00 74.14 ATOM 85 CB HIS 6 4.662 -17.419 4.520 1.00 52.34 ATOM 86 HB1 HIS 6 4.547 -17.100 3.492 1.00 38.61 ATOM 87 HB2 HIS 6 4.384 -16.605 5.173 1.00 74.42 ATOM 88 CG HIS 6 3.711 -18.548 4.771 1.00 73.15 ATOM 89 ND1 HIS 6 3.550 -19.136 6.007 1.00 21.14 ATOM 90 HD1 HIS 6 4.026 -18.886 6.826 1.00 71.41 ATOM 91 CD2 HIS 6 2.866 -19.196 3.935 1.00 71.41 ATOM 92 HD2 HIS 6 2.727 -18.995 2.882 1.00 31.44 ATOM 93 CE1 HIS 6 2.649 -20.098 5.921 1.00 21.44 ATOM 94 HE1 HIS 6 2.320 -20.730 6.733 1.00 1.12 ATOM 95 NE2 HIS 6 2.218 -20.155 4.674 1.00 30.22 ATOM 96 HE2 HIS 6 1.478 -20.714 4.357 1.00 38.61 ATOM 97 C HIS 6 6.577 -18.856 3.796 1.00 1.30 ATOM 98 O HIS 6 6.076 -18.935 2.674 1.00 64.03 ATOM 99 N HIS 7 7.528 -19.680 4.224 1.00 71.32 ATOM 100 HN HIS 7 7.902 -19.559 5.130 1.00 38.61 ATOM 101 CA HIS 7 8.049 -20.750 3.380 1.00 34.10 ATOM 102 HA HIS 7 7.234 -21.123 2.765 1.00 54.24 ATOM 103 CB HIS 7 9.158 -20.218 2.472 1.00 31.12 ATOM 104 HB1 HIS 7 10.069 -20.086 3.042 1.00 38.61 ATOM 105 HB2 HIS 7 8.854 -19.261 2.072 1.00 13.13 ATOM 106 CG HIS 7 9.462 -21.113 1.311 1.00 61.34 ATOM 107 ND1 HIS 7 10.609 -21.875 1.227 1.00 12.43 ATOM 108 HD1 HIS 7 11.324 -21.910 1.897 1.00 63.04 ATOM 109 CD2 HIS 7 8.760 -21.368 0.181 1.00 4.24 ATOM 110 HD2 HIS 7 7.804 -20.942 -0.089 1.00 14.10 ATOM 111 CE1 HIS 7 10.600 -22.557 0.096 1.00 22.33 ATOM 112 HE1 HIS 7 11.370 -23.237 -0.238 1.00 13.20 ATOM 113 NE2 HIS 7 9.489 -22.268 -0.557 1.00 0.05 ATOM 114 HE2 HIS 7 9.186 -22.707 -1.379 1.00 38.61 ATOM 115 C HIS 7 8.578 -21.902 4.228 1.00 22.35 ATOM 116 O HIS 7 9.086 -21.693 5.331 1.00 51.13 ATOM 117 N HIS 8 8.456 -23.119 3.708 1.00 73.31 ATOM 118 HN HIS 8 8.051 -23.223 2.813 1.00 38.61 ATOM 119 CA HIS 8 8.922 -24.305 4.418 1.00 40.00 ATOM 120 HA HIS 8 8.671 -24.198 5.469 1.00 21.44 ATOM 121 CB HIS 8 8.238 -25.557 3.868 1.00 15.31 ATOM 122 HB1 HIS 8 8.783 -26.441 4.182 1.00 38.61 ATOM 123 HB2 HIS 8 8.233 -25.513 2.789 1.00 73.10 ATOM 124 CG HIS 8 6.820 -25.715 4.326 1.00 3.42 ATOM 125 ND1 HIS 8 5.816 -24.834 3.984 1.00 41.22 ATOM 126 HD1 HIS 8 5.920 -24.037 3.423 1.00 4.32 ATOM 127 CD2 HIS 8 6.241 -26.660 5.103 1.00 1.30 ATOM 128 HD2 HIS 8 6.733 -27.512 5.551 1.00 70.40 ATOM 129 CE1 HIS 8 4.681 -25.229 4.532 1.00 71.34 ATOM 130 HE1 HIS 8 3.726 -24.733 4.436 1.00 4.24 ATOM 131 NE2 HIS 8 4.912 -26.335 5.216 1.00 75.53 ATOM 132 HE2 HIS 8 4.226 -26.887 5.646 1.00 38.61 ATOM 133 C HIS 8 10.437 -24.447 4.302 1.00 13.25 ATOM 134 O HIS 8 10.937 -25.390 3.689 1.00 54.51 ATOM 135 N SER 9 11.162 -23.504 4.896 1.00 55.44 ATOM 136 HN SER 9 10.714 -22.800 5.417 1.00 38.61 ATOM 137 CA SER 9 12.619 -23.521 4.855 1.00 21.02 ATOM 138 HA SER 9 12.934 -23.911 3.894 1.00 24.24 ATOM 139 CB SER 9 13.172 -22.102 5.007 1.00 34.53 ATOM 140 HB1 SER 9 12.856 -21.690 5.955 1.00 38.61 ATOM 141 HB2 SER 9 12.796 -21.485 4.205 1.00 11.20 ATOM 142 OG SER 9 14.588 -22.099 4.956 1.00 13.42 ATOM 143 HG SER 9 14.909 -21.197 5.025 1.00 10.21 ATOM 144 C SER 9 13.182 -24.419 5.953 1.00 42.32 ATOM 145 O SER 9 14.281 -24.960 5.825 1.00 32.33 ATOM 146 N HIS 10 12.421 -24.572 7.032 1.00 3.30 ATOM 147 HN HIS 10 11.560 -24.107 7.105 1.00 38.61 ATOM 148 CA HIS 10 12.843 -25.404 8.153 1.00 20.11 ATOM 149 HA HIS 10 12.050 -25.383 8.888 1.00 0.44 ATOM 150 CB HIS 10 13.083 -26.840 7.687 1.00 25.31 ATOM 151 HB1 HIS 10 14.102 -27.143 7.886 1.00 38.61 ATOM 152 HB2 HIS 10 12.909 -26.918 6.623 1.00 32.01 ATOM 153 CG HIS 10 12.185 -27.842 8.345 1.00 53.23 ATOM 154 ND1 HIS 10 12.452 -28.398 9.578 1.00 43.31 ATOM 155 HD1 HIS 10 13.234 -28.204 10.136 1.00 0.25 ATOM 156 CD2 HIS 10 11.015 -28.386 7.934 1.00 2.22 ATOM 157 HD2 HIS 10 10.502 -28.177 7.006 1.00 4.31 ATOM 158 CE1 HIS 10 11.487 -29.242 9.897 1.00 42.43 ATOM 159 HE1 HIS 10 11.430 -29.823 10.805 1.00 23.44 ATOM 160 NE2 HIS 10 10.602 -29.252 8.916 1.00 24.41 ATOM 161 HE2 HIS 10 9.742 -29.722 8.936 1.00 38.61 ATOM 162 C HIS 10 14.109 -24.847 8.797 1.00 31.03 ATOM 163 O HIS 10 14.832 -25.564 9.489 1.00 51.15 ATOM 164 N MET 11 14.370 -23.565 8.565 1.00 43.11 ATOM 165 HN MET 11 13.736 -23.007 8.067 1.00 38.61 ATOM 166 CA MET 11 15.549 -22.912 9.123 1.00 31.34 ATOM 167 HA MET 11 16.216 -23.676 9.513 1.00 73.43 ATOM 168 CB MET 11 16.285 -22.126 8.037 1.00 3.33 ATOM 169 HB1 MET 11 15.879 -21.124 7.969 1.00 38.61 ATOM 170 HB2 MET 11 16.120 -22.626 7.090 1.00 43.12 ATOM 171 CG MET 11 17.783 -22.018 8.275 1.00 71.14 ATOM 172 HG1 MET 11 18.131 -22.907 8.786 1.00 38.61 ATOM 173 HG2 MET 11 17.966 -21.157 8.901 1.00 64.00 ATOM 174 SD MET 11 18.716 -21.817 6.745 1.00 52.51 ATOM 175 CE MET 11 19.789 -23.249 6.811 1.00 32.24 ATOM 176 HE1 MET 11 20.424 -23.264 5.937 1.00 14.12 ATOM 177 HE2 MET 11 19.190 -24.147 6.836 1.00 22.41 ATOM 178 HE3 MET 11 20.401 -23.200 7.700 1.00 35.14 ATOM 179 C MET 11 15.164 -21.982 10.269 1.00 55.42 ATOM 180 O MET 11 14.087 -21.387 10.262 1.00 52.43 ATOM 181 N ASN 12 16.050 -21.861 11.251 1.00 23.25 ATOM 182 HN ASN 12 16.898 -22.358 11.210 1.00 38.61 ATOM 183 CA ASN 12 15.802 -21.003 12.404 1.00 33.24 ATOM 184 HA ASN 12 16.630 -21.122 13.090 1.00 72.35 ATOM 185 CB ASN 12 15.707 -19.540 11.967 1.00 64.24 ATOM 186 HB1 ASN 12 15.242 -18.957 12.753 1.00 38.61 ATOM 187 HB2 ASN 12 15.112 -19.452 11.075 1.00 65.00 ATOM 188 CG ASN 12 17.068 -18.931 11.688 1.00 20.21 ATOM 189 OD1 ASN 12 17.961 -19.595 11.162 1.00 44.44 ATOM 190 ND2 ASN 12 17.231 -17.662 12.042 1.00 43.43 ATOM 191 HD21 ASN 12 16.482 -17.179 12.460 1.00 74.34 ATOM 192 HD22 ASN 12 18.104 -17.250 11.870 1.00 50.35 ATOM 193 C ASN 12 14.520 -21.415 13.122 1.00 11.53 ATOM 194 O ASN 12 13.743 -20.567 13.562 1.00 40.12 ATOM 195 N SER 13 14.306 -22.721 13.238 1.00 61.32 ATOM 196 HN SER 13 14.977 -23.358 12.896 1.00 38.61 ATOM 197 CA SER 13 13.117 -23.246 13.899 1.00 2.25 ATOM 198 HA SER 13 12.270 -22.625 13.631 1.00 0.33 ATOM 199 CB SER 13 12.837 -24.676 13.434 1.00 44.14 ATOM 200 HB1 SER 13 11.857 -24.981 13.771 1.00 38.61 ATOM 201 HB2 SER 13 13.579 -25.338 13.835 1.00 51.21 ATOM 202 OG SER 13 12.887 -24.771 12.021 1.00 53.24 ATOM 203 HG SER 13 12.058 -24.462 11.647 1.00 65.30 ATOM 204 C SER 13 13.282 -23.216 15.416 1.00 53.10 ATOM 205 O SER 13 12.303 -23.122 16.156 1.00 73.23 ATOM 206 N ALA 14 14.528 -23.296 15.871 1.00 33.33 ATOM 207 HN ALA 14 15.278 -23.381 15.238 1.00 38.61 ATOM 208 CA ALA 14 14.822 -23.276 17.299 1.00 61.53 ATOM 209 HA ALA 14 14.151 -23.954 17.798 1.00 35.40 ATOM 210 CB ALA 14 16.246 -23.749 17.550 1.00 23.15 ATOM 211 HB1 ALA 14 16.922 -23.198 16.912 1.00 31.42 ATOM 212 HB2 ALA 14 16.319 -24.801 17.321 1.00 42.52 ATOM 213 HB3 ALA 14 16.519 -23.590 18.577 1.00 1.12 ATOM 214 C ALA 14 14.614 -21.883 17.883 1.00 71.40 ATOM 215 O ALA 14 14.117 -21.737 18.999 1.00 54.01 ATOM 216 N GLU 15 14.998 -20.864 17.122 1.00 44.25 ATOM 217 HN GLU 15 15.407 -21.040 16.242 1.00 38.61 ATOM 218 CA GLU 15 14.855 -19.482 17.566 1.00 34.51 ATOM 219 HA GLU 15 15.480 -19.345 18.439 1.00 54.13 ATOM 220 CB GLU 15 15.308 -18.520 16.467 1.00 54.35 ATOM 221 HB1 GLU 15 14.953 -17.523 16.706 1.00 38.61 ATOM 222 HB2 GLU 15 14.873 -18.831 15.528 1.00 32.10 ATOM 223 CG GLU 15 16.816 -18.458 16.295 1.00 1.54 ATOM 224 HG1 GLU 15 17.153 -19.393 15.873 1.00 38.61 ATOM 225 HG2 GLU 15 17.278 -18.312 17.262 1.00 32.01 ATOM 226 CD GLU 15 17.254 -17.330 15.381 1.00 54.11 ATOM 227 OE1 GLU 15 16.435 -16.423 15.122 1.00 32.33 ATOM 228 OE2 GLU 15 18.416 -17.354 14.924 1.00 73.41 ATOM 229 C GLU 15 13.410 -19.184 17.955 1.00 14.23 ATOM 230 O GLU 15 13.136 -18.739 19.070 1.00 61.14 ATOM 231 N GLN 16 12.490 -19.431 17.028 1.00 21.31 ATOM 232 HN GLN 16 12.773 -19.786 16.151 1.00 38.61 ATOM 233 CA GLN 16 11.074 -19.188 17.274 1.00 54.34 ATOM 234 HA GLN 16 10.947 -18.137 17.497 1.00 13.21 ATOM 235 CB GLN 16 10.252 -19.529 16.029 1.00 65.40 ATOM 236 HB1 GLN 16 10.611 -18.932 15.203 1.00 38.61 ATOM 237 HB2 GLN 16 9.215 -19.278 16.217 1.00 0.21 ATOM 238 CG GLN 16 10.337 -20.993 15.628 1.00 75.23 ATOM 239 HG1 GLN 16 10.179 -21.626 16.485 1.00 38.61 ATOM 240 HG2 GLN 16 11.317 -21.176 15.221 1.00 72.42 ATOM 241 CD GLN 16 9.312 -21.370 14.575 1.00 3.43 ATOM 242 OE1 GLN 16 8.663 -20.504 13.987 1.00 60.40 ATOM 243 NE2 GLN 16 9.162 -22.666 14.332 1.00 62.31 ATOM 244 HE21 GLN 16 9.708 -23.314 14.832 1.00 50.10 ATOM 245 HE22 GLN 16 8.504 -22.929 13.655 1.00 13.23 ATOM 246 C GLN 16 10.579 -20.004 18.463 1.00 1.23 ATOM 247 O GLN 16 9.654 -19.598 19.168 1.00 51.25 ATOM 248 N THR 17 11.201 -21.158 18.683 1.00 63.13 ATOM 249 HN THR 17 11.912 -21.455 18.074 1.00 38.61 ATOM 250 CA THR 17 10.824 -22.032 19.786 1.00 73.31 ATOM 251 HA THR 17 9.745 -22.145 19.777 1.00 51.41 ATOM 252 CB THR 17 11.453 -23.430 19.635 1.00 35.44 ATOM 253 HB THR 17 12.526 -23.341 19.672 1.00 51.21 ATOM 254 OG1 THR 17 11.081 -24.002 18.376 1.00 41.51 ATOM 255 HG1 THR 17 10.121 -24.084 18.303 1.00 64.52 ATOM 256 CG2 THR 17 11.009 -24.348 20.765 1.00 55.23 ATOM 257 HG21 THR 17 11.281 -25.363 20.521 1.00 74.20 ATOM 258 HG22 THR 17 9.936 -24.289 20.892 1.00 63.54 ATOM 259 HG23 THR 17 11.499 -24.062 21.684 1.00 43.15 ATOM 260 C THR 17 11.245 -21.440 21.126 1.00 51.32 ATOM 261 O THR 17 10.469 -21.428 22.082 1.00 44.41 ATOM 262 N VAL 18 12.478 -20.948 21.189 1.00 42.02 ATOM 263 HN VAL 18 13.041 -20.972 20.383 1.00 38.61 ATOM 264 CA VAL 18 13.002 -20.352 22.412 1.00 50.31 ATOM 265 HA VAL 18 13.082 -21.133 23.157 1.00 50.23 ATOM 266 CB VAL 18 14.401 -19.747 22.187 1.00 32.23 ATOM 267 HB VAL 18 14.324 -18.968 21.441 1.00 30.44 ATOM 268 CG1 VAL 18 14.926 -19.125 23.472 1.00 42.21 ATOM 269 HG11 VAL 18 15.970 -18.864 23.352 1.00 12.24 ATOM 270 HG12 VAL 18 14.828 -19.826 24.289 1.00 70.41 ATOM 271 HG13 VAL 18 14.368 -18.230 23.699 1.00 61.40 ATOM 272 CG2 VAL 18 15.361 -20.806 21.667 1.00 71.14 ATOM 273 HG21 VAL 18 16.346 -20.376 21.550 1.00 11.15 ATOM 274 HG22 VAL 18 15.031 -21.171 20.726 1.00 1.31 ATOM 275 HG23 VAL 18 15.415 -21.622 22.372 1.00 54.52 ATOM 276 C VAL 18 12.070 -19.266 22.937 1.00 15.10 ATOM 277 O VAL 18 11.622 -19.317 24.083 1.00 14.31 ATOM 278 N THR 19 11.779 -18.282 22.091 1.00 63.53 ATOM 279 HN THR 19 12.165 -18.297 21.183 1.00 38.61 ATOM 280 CA THR 19 10.900 -17.183 22.469 1.00 64.21 ATOM 281 HA THR 19 11.323 -16.693 23.334 1.00 51.33 ATOM 282 CB THR 19 10.782 -16.144 21.338 1.00 4.33 ATOM 283 HB THR 19 10.338 -16.618 20.472 1.00 53.45 ATOM 284 OG1 THR 19 12.081 -15.656 20.984 1.00 42.12 ATOM 285 HG1 THR 19 12.500 -16.266 20.372 1.00 63.41 ATOM 286 CG2 THR 19 9.897 -14.982 21.762 1.00 51.41 ATOM 287 HG21 THR 19 10.194 -14.627 22.740 1.00 3.33 ATOM 288 HG22 THR 19 8.865 -15.297 21.789 1.00 31.54 ATOM 289 HG23 THR 19 10.002 -14.179 21.047 1.00 33.34 ATOM 290 C THR 19 9.508 -17.690 22.825 1.00 74.31 ATOM 291 O THR 19 8.854 -17.158 23.722 1.00 73.21 ATOM 292 N TRP 20 9.060 -18.721 22.118 1.00 61.35 ATOM 293 HN TRP 20 9.619 -19.099 21.399 1.00 38.61 ATOM 294 CA TRP 20 7.744 -19.301 22.360 1.00 12.33 ATOM 295 HA TRP 20 7.004 -18.526 22.215 1.00 14.51 ATOM 296 CB TRP 20 7.471 -20.431 21.367 1.00 34.41 ATOM 297 HB1 TRP 20 8.286 -21.131 21.391 1.00 38.61 ATOM 298 HB2 TRP 20 7.394 -20.014 20.374 1.00 52.30 ATOM 299 CG TRP 20 6.202 -21.178 21.651 1.00 42.21 ATOM 300 CD1 TRP 20 4.949 -20.649 21.769 1.00 12.43 ATOM 301 HD1 TRP 20 4.720 -19.598 21.668 1.00 3.43 ATOM 302 CD2 TRP 20 6.065 -22.588 21.854 1.00 62.41 ATOM 303 NE1 TRP 20 4.041 -21.645 22.034 1.00 73.43 ATOM 304 HE1 TRP 20 3.078 -21.516 22.165 1.00 51.22 ATOM 305 CE2 TRP 20 4.700 -22.845 22.090 1.00 42.34 ATOM 306 CE3 TRP 20 6.962 -23.660 21.857 1.00 31.15 ATOM 307 HE3 TRP 20 8.016 -23.506 21.681 1.00 4.41 ATOM 308 CZ2 TRP 20 4.214 -24.128 22.327 1.00 2.41 ATOM 309 HZ2 TRP 20 3.169 -24.316 22.501 1.00 40.35 ATOM 310 CZ3 TRP 20 6.478 -24.933 22.094 1.00 40.23 ATOM 311 HZ3 TRP 20 7.153 -25.770 22.105 1.00 63.43 ATOM 312 CH2 TRP 20 5.115 -25.158 22.325 1.00 35.10 ATOM 313 HH2 TRP 20 4.783 -26.163 22.502 1.00 22.42 ATOM 314 C TRP 20 7.634 -19.824 23.788 1.00 23.11 ATOM 315 O TRP 20 6.597 -19.676 24.436 1.00 24.14 ATOM 316 N LEU 21 8.709 -20.436 24.273 1.00 31.13 ATOM 317 HN LEU 21 9.512 -20.532 23.708 1.00 38.61 ATOM 318 CA LEU 21 8.733 -20.982 25.626 1.00 3.41 ATOM 319 HA LEU 21 7.818 -21.530 25.791 1.00 12.12 ATOM 320 CB LEU 21 9.923 -21.928 25.794 1.00 3.11 ATOM 321 HB1 LEU 21 9.968 -22.233 26.832 1.00 38.61 ATOM 322 HB2 LEU 21 10.824 -21.376 25.561 1.00 23.30 ATOM 323 CG LEU 21 9.900 -23.194 24.938 1.00 72.54 ATOM 324 HG LEU 21 9.884 -22.917 23.897 1.00 12.11 ATOM 325 CD1 LEU 21 11.149 -24.027 25.182 1.00 74.30 ATOM 326 HD11 LEU 21 12.027 -23.442 24.946 1.00 55.52 ATOM 327 HD12 LEU 21 11.128 -24.906 24.552 1.00 65.32 ATOM 328 HD13 LEU 21 11.189 -24.331 26.219 1.00 12.34 ATOM 329 CD2 LEU 21 8.648 -24.010 25.226 1.00 53.02 ATOM 330 HD21 LEU 21 7.772 -23.450 24.938 1.00 52.13 ATOM 331 HD22 LEU 21 8.597 -24.245 26.280 1.00 31.24 ATOM 332 HD23 LEU 21 8.680 -24.929 24.657 1.00 24.43 ATOM 333 C LEU 21 8.807 -19.865 26.662 1.00 11.33 ATOM 334 O LEU 21 8.381 -20.036 27.805 1.00 54.22 ATOM 335 N ILE 22 9.348 -18.722 26.255 1.00 1.40 ATOM 336 HN ILE 22 9.693 -18.641 25.342 1.00 38.61 ATOM 337 CA ILE 22 9.474 -17.576 27.147 1.00 10.14 ATOM 338 HA ILE 22 9.743 -17.932 28.130 1.00 64.11 ATOM 339 CB ILE 22 10.570 -16.606 26.667 1.00 14.10 ATOM 340 HB ILE 22 10.292 -16.244 25.685 1.00 10.22 ATOM 341 CG1 ILE 22 11.916 -17.327 26.577 1.00 21.12 ATOM 342 HG11 ILE 22 11.785 -18.308 26.157 1.00 38.61 ATOM 343 HG12 ILE 22 12.339 -17.431 27.566 1.00 12.32 ATOM 344 CG2 ILE 22 10.665 -15.409 27.602 1.00 73.51 ATOM 345 HG21 ILE 22 10.938 -15.740 28.594 1.00 23.03 ATOM 346 HG22 ILE 22 9.722 -14.887 27.644 1.00 35.30 ATOM 347 HG23 ILE 22 11.409 -14.731 27.236 1.00 22.21 ATOM 348 CD1 ILE 22 12.934 -16.603 25.724 1.00 54.22 ATOM 349 HD11 ILE 22 12.739 -15.543 25.712 1.00 62.24 ATOM 350 HD12 ILE 22 12.884 -16.983 24.718 1.00 70.42 ATOM 351 HD13 ILE 22 13.913 -16.784 26.113 1.00 30.43 ATOM 352 C ILE 22 8.155 -16.819 27.260 1.00 32.42 ATOM 353 O ILE 22 7.647 -16.595 28.359 1.00 14.52 ATOM 354 N THR 23 7.602 -16.430 26.115 1.00 5.33 ATOM 355 HN THR 23 8.057 -16.637 25.266 1.00 38.61 ATOM 356 CA THR 23 6.342 -15.699 26.085 1.00 72.13 ATOM 357 HA THR 23 6.488 -14.754 26.590 1.00 63.21 ATOM 358 CB THR 23 5.897 -15.407 24.639 1.00 32.02 ATOM 359 HB THR 23 6.703 -14.903 24.125 1.00 75.13 ATOM 360 OG1 THR 23 4.742 -14.560 24.644 1.00 43.13 ATOM 361 HG1 THR 23 5.012 -13.647 24.775 1.00 61.20 ATOM 362 CG2 THR 23 5.582 -16.698 23.899 1.00 51.03 ATOM 363 HG21 THR 23 5.412 -16.475 22.856 1.00 52.42 ATOM 364 HG22 THR 23 4.696 -17.157 24.310 1.00 73.31 ATOM 365 HG23 THR 23 6.413 -17.373 23.984 1.00 32.43 ATOM 366 C THR 23 5.239 -16.475 26.797 1.00 45.52 ATOM 367 O THR 23 4.275 -15.890 27.292 1.00 2.41 ATOM 368 N LEU 24 5.388 -17.794 26.846 1.00 54.32 ATOM 369 HN LEU 24 6.148 -18.222 26.394 1.00 38.61 ATOM 370 CA LEU 24 4.404 -18.650 27.499 1.00 31.40 ATOM 371 HA LEU 24 3.416 -18.310 27.217 1.00 71.40 ATOM 372 CB LEU 24 4.583 -20.101 27.048 1.00 35.22 ATOM 373 HB1 LEU 24 4.226 -20.762 27.833 1.00 38.61 ATOM 374 HB2 LEU 24 5.645 -20.280 26.927 1.00 53.24 ATOM 375 CG LEU 24 3.877 -20.492 25.749 1.00 33.13 ATOM 376 HG LEU 24 4.070 -19.738 24.998 1.00 21.43 ATOM 377 CD1 LEU 24 4.413 -21.816 25.228 1.00 32.41 ATOM 378 HD11 LEU 24 4.535 -22.479 26.058 1.00 34.53 ATOM 379 HD12 LEU 24 5.363 -21.666 24.746 1.00 12.10 ATOM 380 HD13 LEU 24 3.717 -22.249 24.525 1.00 12.32 ATOM 381 CD2 LEU 24 2.372 -20.571 25.963 1.00 40.32 ATOM 382 HD21 LEU 24 1.888 -20.834 25.033 1.00 10.43 ATOM 383 HD22 LEU 24 1.999 -19.614 26.296 1.00 22.11 ATOM 384 HD23 LEU 24 2.148 -21.322 26.708 1.00 11.23 ATOM 385 C LEU 24 4.525 -18.559 29.017 1.00 72.12 ATOM 386 O LEU 24 3.559 -18.793 29.742 1.00 53.32 ATOM 387 N GLY 25 5.719 -18.215 29.491 1.00 75.21 ATOM 388 HN GLY 25 6.471 -18.070 28.889 1.00 38.61 ATOM 389 CA GLY 25 5.943 -18.097 30.920 1.00 43.33 ATOM 390 HA1 GLY 25 5.051 -17.718 31.405 1.00 38.61 ATOM 391 HA2 GLY 25 6.747 -17.394 31.083 1.00 25.35 ATOM 392 C GLY 25 6.324 -19.418 31.558 1.00 11.22 ATOM 393 O GLY 25 5.950 -19.695 32.698 1.00 62.42 ATOM 394 N VAL 26 7.069 -20.236 30.822 1.00 73.41 ATOM 395 HN VAL 26 7.349 -19.957 29.926 1.00 38.61 ATOM 396 CA VAL 26 7.500 -21.536 31.323 1.00 72.13 ATOM 397 HA VAL 26 7.138 -21.673 32.337 1.00 21.30 ATOM 398 CB VAL 26 6.944 -22.683 30.458 1.00 62.21 ATOM 399 HB VAL 26 7.427 -23.609 30.747 1.00 50.35 ATOM 400 CG1 VAL 26 5.450 -22.852 30.690 1.00 44.20 ATOM 401 HG11 VAL 26 5.271 -23.095 31.728 1.00 65.00 ATOM 402 HG12 VAL 26 5.073 -23.645 30.070 1.00 34.50 ATOM 403 HG13 VAL 26 4.943 -21.930 30.446 1.00 23.25 ATOM 404 CG2 VAL 26 7.239 -22.432 28.987 1.00 54.52 ATOM 405 HG21 VAL 26 6.899 -23.280 28.409 1.00 31.23 ATOM 406 HG22 VAL 26 8.297 -22.309 28.829 1.00 73.12 ATOM 407 HG23 VAL 26 6.715 -21.550 28.653 1.00 2.32 ATOM 408 C VAL 26 9.021 -21.634 31.361 1.00 53.54 ATOM 409 O VAL 26 9.590 -22.287 32.236 1.00 45.04 ATOM 410 N LEU 27 9.674 -20.979 30.406 1.00 32.35 ATOM 411 HN LEU 27 9.186 -20.497 29.708 1.00 38.61 ATOM 412 CA LEU 27 11.131 -20.991 30.330 1.00 35.12 ATOM 413 HA LEU 27 11.520 -21.523 31.190 1.00 23.34 ATOM 414 CB LEU 27 11.589 -21.722 29.067 1.00 31.32 ATOM 415 HB1 LEU 27 11.132 -21.227 28.223 1.00 38.61 ATOM 416 HB2 LEU 27 11.216 -22.729 29.109 1.00 62.03 ATOM 417 CG LEU 27 13.098 -21.765 28.827 1.00 43.34 ATOM 418 HG LEU 27 13.471 -20.758 28.709 1.00 71.50 ATOM 419 CD1 LEU 27 13.811 -22.393 30.015 1.00 53.45 ATOM 420 HD11 LEU 27 13.439 -23.395 30.178 1.00 13.34 ATOM 421 HD12 LEU 27 13.645 -21.798 30.900 1.00 4.05 ATOM 422 HD13 LEU 27 14.873 -22.434 29.818 1.00 22.11 ATOM 423 CD2 LEU 27 13.413 -22.529 27.549 1.00 44.42 ATOM 424 HD21 LEU 27 14.480 -22.519 27.375 1.00 62.24 ATOM 425 HD22 LEU 27 12.913 -22.059 26.713 1.00 53.25 ATOM 426 HD23 LEU 27 13.074 -23.552 27.641 1.00 34.45 ATOM 427 C LEU 27 11.688 -19.571 30.340 1.00 31.31 ATOM 428 O LEU 27 11.455 -18.797 29.413 1.00 50.04 ATOM 429 N GLU 28 12.426 -19.238 31.394 1.00 24.11 ATOM 430 HN GLU 28 12.574 -19.901 32.111 1.00 38.61 ATOM 431 CA GLU 28 13.018 -17.912 31.523 1.00 11.40 ATOM 432 HA GLU 28 12.213 -17.202 31.652 1.00 71.22 ATOM 433 CB GLU 28 13.930 -17.853 32.750 1.00 42.30 ATOM 434 HB1 GLU 28 13.399 -18.269 33.596 1.00 38.61 ATOM 435 HB2 GLU 28 14.166 -16.819 32.958 1.00 43.43 ATOM 436 CG GLU 28 15.234 -18.614 32.576 1.00 13.13 ATOM 437 HG1 GLU 28 15.834 -18.123 31.824 1.00 38.61 ATOM 438 HG2 GLU 28 15.014 -19.623 32.258 1.00 62.32 ATOM 439 CD GLU 28 16.046 -18.679 33.855 1.00 20.11 ATOM 440 OE1 GLU 28 16.629 -19.748 34.133 1.00 60.11 ATOM 441 OE2 GLU 28 16.099 -17.662 34.578 1.00 73.23 ATOM 442 C GLU 28 13.808 -17.544 30.270 1.00 32.02 ATOM 443 O GLU 28 14.275 -18.418 29.539 1.00 11.54 ATOM 444 N SER 29 13.952 -16.245 30.029 1.00 40.04 ATOM 445 HN SER 29 13.570 -15.593 30.665 1.00 38.61 ATOM 446 CA SER 29 14.681 -15.761 28.862 1.00 1.33 ATOM 447 HA SER 29 14.382 -16.364 28.025 1.00 70.32 ATOM 448 CB SER 29 14.325 -14.299 28.583 1.00 61.34 ATOM 449 HB1 SER 29 15.223 -13.704 28.472 1.00 38.61 ATOM 450 HB2 SER 29 13.739 -13.896 29.396 1.00 31.42 ATOM 451 OG SER 29 13.569 -14.178 27.390 1.00 1.22 ATOM 452 HG SER 29 13.282 -13.268 27.284 1.00 11.12 ATOM 453 C SER 29 16.187 -15.899 29.067 1.00 73.02 ATOM 454 O SER 29 16.678 -16.022 30.189 1.00 72.30 ATOM 455 N PRO 30 16.938 -15.878 27.956 1.00 61.30 ATOM 456 CA PRO 30 18.399 -16.000 27.986 1.00 53.41 ATOM 457 HA PRO 30 18.713 -16.878 28.532 1.00 52.12 ATOM 458 CB PRO 30 18.772 -16.152 26.509 1.00 4.43 ATOM 459 HB1 PRO 30 18.826 -17.199 26.278 1.00 38.61 ATOM 460 HB2 PRO 30 19.723 -15.686 26.288 1.00 54.21 ATOM 461 CG PRO 30 17.659 -15.496 25.767 1.00 21.24 ATOM 462 HG1 PRO 30 17.551 -15.936 24.791 1.00 38.61 ATOM 463 HG2 PRO 30 17.851 -14.437 25.681 1.00 40.02 ATOM 464 CD PRO 30 16.420 -15.734 26.585 1.00 31.42 ATOM 465 HD1 PRO 30 15.935 -16.640 26.262 1.00 38.61 ATOM 466 HD2 PRO 30 15.757 -14.894 26.494 1.00 25.33 ATOM 467 C PRO 30 19.071 -14.767 28.581 1.00 14.03 ATOM 468 O PRO 30 18.403 -13.877 29.109 1.00 43.01 ATOM 469 N LYS 31 20.396 -14.720 28.493 1.00 34.51 ATOM 470 HN LYS 31 20.884 -15.477 28.098 1.00 38.61 ATOM 471 CA LYS 31 21.159 -13.596 29.021 1.00 20.13 ATOM 472 HA LYS 31 20.489 -12.915 29.535 1.00 4.53 ATOM 473 CB LYS 31 22.215 -14.091 30.013 1.00 54.32 ATOM 474 HB1 LYS 31 23.030 -13.378 30.058 1.00 38.61 ATOM 475 HB2 LYS 31 22.609 -15.040 29.673 1.00 31.32 ATOM 476 CG LYS 31 21.687 -14.265 31.426 1.00 1.35 ATOM 477 HG1 LYS 31 21.218 -13.344 31.744 1.00 38.61 ATOM 478 HG2 LYS 31 22.524 -14.484 32.076 1.00 23.13 ATOM 479 CD LYS 31 20.672 -15.393 31.508 1.00 3.31 ATOM 480 HD1 LYS 31 20.973 -16.208 30.860 1.00 38.61 ATOM 481 HD2 LYS 31 19.712 -15.018 31.194 1.00 60.22 ATOM 482 CE LYS 31 20.538 -15.920 32.928 1.00 24.33 ATOM 483 HE1 LYS 31 19.577 -16.404 33.022 1.00 38.61 ATOM 484 HE2 LYS 31 20.591 -15.098 33.631 1.00 74.43 ATOM 485 NZ LYS 31 21.603 -16.909 33.255 1.00 1.25 ATOM 486 HZ1 LYS 31 22.544 -16.470 33.168 1.00 11.12 ATOM 487 HZ2 LYS 31 21.551 -17.724 32.610 1.00 32.15 ATOM 488 HZ3 LYS 31 21.483 -17.249 34.231 1.00 70.02 ATOM 489 C LYS 31 21.830 -12.817 27.895 1.00 41.13 ATOM 490 O LYS 31 22.041 -11.609 28.001 1.00 13.52 ATOM 491 N LYS 32 22.163 -13.516 26.815 1.00 52.33 ATOM 492 HN LYS 32 22.018 -14.485 26.788 1.00 38.61 ATOM 493 CA LYS 32 22.807 -12.890 25.666 1.00 4.24 ATOM 494 HA LYS 32 22.560 -11.836 25.651 1.00 30.12 ATOM 495 CB LYS 32 24.327 -13.039 25.765 1.00 63.14 ATOM 496 HB1 LYS 32 24.795 -12.461 24.982 1.00 38.61 ATOM 497 HB2 LYS 32 24.587 -14.081 25.631 1.00 63.44 ATOM 498 CG LYS 32 24.897 -12.591 27.099 1.00 25.33 ATOM 499 HG1 LYS 32 25.932 -12.901 27.139 1.00 38.61 ATOM 500 HG2 LYS 32 24.367 -13.062 27.908 1.00 4.13 ATOM 501 CD LYS 32 24.850 -11.080 27.247 1.00 43.31 ATOM 502 HD1 LYS 32 23.892 -10.702 26.928 1.00 38.61 ATOM 503 HD2 LYS 32 25.624 -10.651 26.628 1.00 34.31 ATOM 504 CE LYS 32 25.093 -10.652 28.686 1.00 31.43 ATOM 505 HE1 LYS 32 26.002 -11.117 29.046 1.00 38.61 ATOM 506 HE2 LYS 32 24.260 -10.978 29.291 1.00 31.25 ATOM 507 NZ LYS 32 25.230 -9.175 28.811 1.00 53.33 ATOM 508 HZ1 LYS 32 24.362 -8.702 28.483 1.00 44.45 ATOM 509 HZ2 LYS 32 26.033 -8.836 28.242 1.00 13.33 ATOM 510 HZ3 LYS 32 25.395 -8.917 29.805 1.00 53.54 ATOM 511 C LYS 32 22.309 -13.503 24.362 1.00 41.24 ATOM 512 O LYS 32 21.405 -14.339 24.361 1.00 14.33 ATOM 513 N THR 33 22.906 -13.083 23.250 1.00 73.40 ATOM 514 HN THR 33 23.601 -12.388 23.300 1.00 38.61 ATOM 515 CA THR 33 22.523 -13.591 21.939 1.00 73.33 ATOM 516 HA THR 33 21.483 -13.326 21.776 1.00 51.12 ATOM 517 CB THR 33 23.367 -12.952 20.820 1.00 22.32 ATOM 518 HB THR 33 24.384 -13.316 20.892 1.00 70.23 ATOM 519 OG1 THR 33 23.381 -11.528 20.969 1.00 34.22 ATOM 520 HG1 THR 33 22.486 -11.166 20.925 1.00 14.11 ATOM 521 CG2 THR 33 22.817 -13.319 19.450 1.00 11.31 ATOM 522 HG21 THR 33 22.934 -14.379 19.280 1.00 70.41 ATOM 523 HG22 THR 33 23.360 -12.775 18.691 1.00 4.53 ATOM 524 HG23 THR 33 21.769 -13.058 19.394 1.00 41.01 ATOM 525 C THR 33 22.673 -15.107 21.871 1.00 50.33 ATOM 526 O THR 33 23.625 -15.670 22.412 1.00 35.23 ATOM 527 N ILE 34 21.729 -15.761 21.202 1.00 2.31 ATOM 528 HN ILE 34 20.990 -15.262 20.783 1.00 38.61 ATOM 529 CA ILE 34 21.759 -17.211 21.062 1.00 32.33 ATOM 530 HA ILE 34 22.549 -17.616 21.689 1.00 44.55 ATOM 531 CB ILE 34 20.431 -17.848 21.515 1.00 5.32 ATOM 532 HB ILE 34 19.638 -17.468 20.884 1.00 63.05 ATOM 533 CG1 ILE 34 20.133 -17.476 22.969 1.00 34.31 ATOM 534 HG11 ILE 34 20.178 -16.401 23.085 1.00 38.61 ATOM 535 HG12 ILE 34 20.869 -17.930 23.617 1.00 31.32 ATOM 536 CG2 ILE 34 20.485 -19.359 21.349 1.00 31.01 ATOM 537 HG21 ILE 34 21.300 -19.759 21.936 1.00 25.02 ATOM 538 HG22 ILE 34 20.628 -19.621 20.319 1.00 54.24 ATOM 539 HG23 ILE 34 19.564 -19.804 21.682 1.00 41.12 ATOM 540 CD1 ILE 34 18.765 -17.921 23.438 1.00 71.35 ATOM 541 HD11 ILE 34 18.020 -17.230 23.071 1.00 71.45 ATOM 542 HD12 ILE 34 18.744 -17.932 24.505 1.00 13.13 ATOM 543 HD13 ILE 34 18.534 -18.910 23.083 1.00 22.24 ATOM 544 C ILE 34 22.039 -17.619 19.620 1.00 51.12 ATOM 545 O ILE 34 21.120 -17.934 18.864 1.00 63.45 ATOM 546 N SER 35 23.314 -17.612 19.246 1.00 43.34 ATOM 547 HN SER 35 24.008 -17.359 19.902 1.00 38.61 ATOM 548 CA SER 35 23.716 -17.979 17.893 1.00 41.12 ATOM 549 HA SER 35 23.124 -17.402 17.194 1.00 74.12 ATOM 550 CB SER 35 25.194 -17.650 17.670 1.00 74.21 ATOM 551 HB1 SER 35 25.466 -16.775 18.245 1.00 38.61 ATOM 552 HB2 SER 35 25.360 -17.454 16.621 1.00 14.22 ATOM 553 OG SER 35 26.021 -18.731 18.063 1.00 64.11 ATOM 554 HG SER 35 26.930 -18.545 17.816 1.00 53.53 ATOM 555 C SER 35 23.469 -19.462 17.637 1.00 62.55 ATOM 556 O SER 35 23.274 -19.883 16.496 1.00 52.41 ATOM 557 N ASP 36 23.480 -20.251 18.706 1.00 52.42 ATOM 558 HN ASP 36 23.646 -19.873 19.597 1.00 38.61 ATOM 559 CA ASP 36 23.256 -21.688 18.599 1.00 42.33 ATOM 560 HA ASP 36 23.048 -21.947 17.570 1.00 73.21 ATOM 561 CB ASP 36 24.511 -22.454 19.020 1.00 44.52 ATOM 562 HB1 ASP 36 25.284 -22.288 18.283 1.00 38.61 ATOM 563 HB2 ASP 36 24.295 -23.513 19.070 1.00 71.34 ATOM 564 CG ASP 36 25.038 -22.004 20.368 1.00 25.44 ATOM 565 OD1 ASP 36 24.770 -22.698 21.372 1.00 71.02 ATOM 566 OD2 ASP 36 25.720 -20.960 20.420 1.00 3.34 ATOM 567 C ASP 36 22.071 -22.119 19.457 1.00 54.45 ATOM 568 O ASP 36 22.227 -22.736 20.510 1.00 2.44 ATOM 569 N PRO 37 20.855 -21.786 18.997 1.00 42.21 ATOM 570 CA PRO 37 19.619 -22.128 19.707 1.00 4.22 ATOM 571 HA PRO 37 19.640 -21.798 20.731 1.00 13.41 ATOM 572 CB PRO 37 18.543 -21.358 18.937 1.00 22.52 ATOM 573 HB1 PRO 37 18.390 -20.400 19.410 1.00 38.61 ATOM 574 HB2 PRO 37 17.614 -21.896 18.925 1.00 11.15 ATOM 575 CG PRO 37 19.107 -21.185 17.569 1.00 20.22 ATOM 576 HG1 PRO 37 18.704 -20.294 17.117 1.00 38.61 ATOM 577 HG2 PRO 37 18.879 -22.050 16.965 1.00 71.44 ATOM 578 CD PRO 37 20.594 -21.050 17.748 1.00 30.42 ATOM 579 HD1 PRO 37 20.860 -20.017 17.843 1.00 38.61 ATOM 580 HD2 PRO 37 21.107 -21.500 16.912 1.00 25.11 ATOM 581 C PRO 37 19.329 -23.624 19.677 1.00 33.40 ATOM 582 O PRO 37 18.519 -24.124 20.457 1.00 13.11 ATOM 583 N GLU 38 19.995 -24.334 18.772 1.00 63.11 ATOM 584 HN GLU 38 20.603 -23.887 18.145 1.00 38.61 ATOM 585 CA GLU 38 19.807 -25.774 18.641 1.00 31.12 ATOM 586 HA GLU 38 18.750 -25.963 18.512 1.00 1.31 ATOM 587 CB GLU 38 20.564 -26.301 17.421 1.00 65.32 ATOM 588 HB1 GLU 38 20.686 -27.376 17.518 1.00 38.61 ATOM 589 HB2 GLU 38 21.542 -25.842 17.390 1.00 10.30 ATOM 590 CG GLU 38 19.866 -26.018 16.102 1.00 72.14 ATOM 591 HG1 GLU 38 20.086 -25.003 15.805 1.00 38.61 ATOM 592 HG2 GLU 38 18.797 -26.130 16.231 1.00 42.00 ATOM 593 CD GLU 38 20.311 -26.952 14.993 1.00 21.33 ATOM 594 OE1 GLU 38 19.443 -27.422 14.228 1.00 25.11 ATOM 595 OE2 GLU 38 21.528 -27.213 14.891 1.00 23.04 ATOM 596 C GLU 38 20.277 -26.501 19.898 1.00 11.42 ATOM 597 O GLU 38 19.644 -27.454 20.351 1.00 45.15 ATOM 598 N GLY 39 21.393 -26.042 20.457 1.00 32.24 ATOM 599 HN GLY 39 21.877 -25.286 20.056 1.00 38.61 ATOM 600 CA GLY 39 21.930 -26.660 21.656 1.00 52.40 ATOM 601 HA1 GLY 39 22.998 -26.502 21.672 1.00 38.61 ATOM 602 HA2 GLY 39 21.741 -27.727 21.640 1.00 75.10 ATOM 603 C GLY 39 21.340 -26.075 22.924 1.00 53.43 ATOM 604 O GLY 39 21.149 -26.783 23.913 1.00 54.34 ATOM 605 N PHE 40 21.051 -24.778 22.897 1.00 45.44 ATOM 606 HN PHE 40 21.236 -24.254 22.082 1.00 38.61 ATOM 607 CA PHE 40 20.482 -24.097 24.054 1.00 42.44 ATOM 608 HA PHE 40 21.159 -24.225 24.888 1.00 3.43 ATOM 609 CB PHE 40 20.331 -22.601 23.768 1.00 1.14 ATOM 610 HB1 PHE 40 19.809 -22.477 22.828 1.00 38.61 ATOM 611 HB2 PHE 40 21.316 -22.162 23.679 1.00 45.02 ATOM 612 CG PHE 40 19.580 -21.860 24.837 1.00 4.45 ATOM 613 CD1 PHE 40 20.202 -21.516 26.027 1.00 11.31 ATOM 614 HD1 PHE 40 21.238 -21.784 26.186 1.00 22.43 ATOM 615 CD2 PHE 40 18.253 -21.506 24.653 1.00 65.34 ATOM 616 HD2 PHE 40 17.753 -21.767 23.730 1.00 14.32 ATOM 617 CE1 PHE 40 19.513 -20.834 27.013 1.00 61.33 ATOM 618 HE1 PHE 40 20.009 -20.572 27.936 1.00 31.43 ATOM 619 CE2 PHE 40 17.560 -20.824 25.635 1.00 74.54 ATOM 620 HE2 PHE 40 16.527 -20.554 25.479 1.00 12.30 ATOM 621 CZ PHE 40 18.191 -20.487 26.816 1.00 72.23 ATOM 622 HZ PHE 40 17.651 -19.954 27.585 1.00 24.14 ATOM 623 C PHE 40 19.128 -24.694 24.425 1.00 62.43 ATOM 624 O PHE 40 18.777 -24.783 25.602 1.00 3.12 ATOM 625 N LEU 41 18.371 -25.103 23.412 1.00 2.33 ATOM 626 HN LEU 41 18.697 -25.000 22.487 1.00 38.61 ATOM 627 CA LEU 41 17.055 -25.692 23.631 1.00 73.15 ATOM 628 HA LEU 41 16.526 -25.078 24.346 1.00 22.31 ATOM 629 CB LEU 41 16.271 -25.738 22.318 1.00 53.22 ATOM 630 HB1 LEU 41 15.565 -26.562 22.352 1.00 38.61 ATOM 631 HB2 LEU 41 16.978 -25.940 21.524 1.00 31.14 ATOM 632 CG LEU 41 15.497 -24.470 21.953 1.00 5.04 ATOM 633 HG LEU 41 16.164 -23.623 22.011 1.00 32.34 ATOM 634 CD1 LEU 41 14.971 -24.556 20.529 1.00 24.41 ATOM 635 HD11 LEU 41 14.714 -23.575 20.189 1.00 70.02 ATOM 636 HD12 LEU 41 14.094 -25.190 20.495 1.00 3.42 ATOM 637 HD13 LEU 41 15.729 -24.974 19.886 1.00 3.42 ATOM 638 CD2 LEU 41 14.355 -24.242 22.933 1.00 43.13 ATOM 639 HD21 LEU 41 14.748 -24.107 23.929 1.00 1.41 ATOM 640 HD22 LEU 41 13.689 -25.094 22.923 1.00 21.32 ATOM 641 HD23 LEU 41 13.804 -23.355 22.648 1.00 41.43 ATOM 642 C LEU 41 17.177 -27.097 24.212 1.00 14.24 ATOM 643 O LEU 41 16.528 -27.425 25.206 1.00 65.24 ATOM 644 N GLN 42 18.013 -27.920 23.588 1.00 53.10 ATOM 645 HN GLN 42 18.500 -27.601 22.791 1.00 38.61 ATOM 646 CA GLN 42 18.220 -29.289 24.045 1.00 3.35 ATOM 647 HA GLN 42 17.296 -29.831 23.904 1.00 44.23 ATOM 648 CB GLN 42 19.320 -29.962 23.223 1.00 22.50 ATOM 649 HB1 GLN 42 20.227 -29.378 23.310 1.00 38.61 ATOM 650 HB2 GLN 42 19.022 -29.972 22.192 1.00 13.35 ATOM 651 CG GLN 42 19.611 -31.392 23.651 1.00 0.23 ATOM 652 HG1 GLN 42 19.947 -31.941 22.783 1.00 38.61 ATOM 653 HG2 GLN 42 18.703 -31.850 24.024 1.00 4.13 ATOM 654 CD GLN 42 20.691 -31.475 24.712 1.00 40.12 ATOM 655 OE1 GLN 42 21.789 -30.944 24.539 1.00 32.44 ATOM 656 NE2 GLN 42 20.385 -32.143 25.818 1.00 72.02 ATOM 657 HE21 GLN 42 19.493 -32.548 25.905 1.00 10.43 ATOM 658 HE22 GLN 42 21.071 -32.207 26.515 1.00 22.23 ATOM 659 C GLN 42 18.586 -29.318 25.526 1.00 74.41 ATOM 660 O GLN 42 17.941 -30.003 26.320 1.00 4.44 ATOM 661 N ALA 43 19.623 -28.572 25.889 1.00 25.23 ATOM 662 HN ALA 43 20.099 -28.042 25.204 1.00 38.61 ATOM 663 CA ALA 43 20.073 -28.512 27.274 1.00 3.15 ATOM 664 HA ALA 43 20.300 -29.519 27.601 1.00 51.21 ATOM 665 CB ALA 43 21.348 -27.688 27.380 1.00 1.00 ATOM 666 HB1 ALA 43 22.102 -28.112 26.734 1.00 11.31 ATOM 667 HB2 ALA 43 21.705 -27.698 28.400 1.00 44.03 ATOM 668 HB3 ALA 43 21.149 -26.669 27.078 1.00 41.53 ATOM 669 C ALA 43 18.990 -27.933 28.179 1.00 45.24 ATOM 670 O ALA 43 18.797 -28.392 29.304 1.00 31.31 ATOM 671 N SER 44 18.288 -26.921 27.679 1.00 35.32 ATOM 672 HN SER 44 18.491 -26.587 26.773 1.00 38.61 ATOM 673 CA SER 44 17.227 -26.276 28.444 1.00 32.32 ATOM 674 HA SER 44 17.635 -25.969 29.398 1.00 21.23 ATOM 675 CB SER 44 16.719 -25.036 27.707 1.00 42.33 ATOM 676 HB1 SER 44 16.710 -25.227 26.645 1.00 38.61 ATOM 677 HB2 SER 44 17.365 -24.199 27.919 1.00 23.14 ATOM 678 OG SER 44 15.400 -24.709 28.107 1.00 12.40 ATOM 679 HG SER 44 15.409 -24.373 29.006 1.00 4.01 ATOM 680 C SER 44 16.072 -27.242 28.693 1.00 42.01 ATOM 681 O SER 44 15.364 -27.137 29.695 1.00 0.43 ATOM 682 N LEU 45 15.888 -28.183 27.774 1.00 61.14 ATOM 683 HN LEU 45 16.476 -28.227 26.986 1.00 38.61 ATOM 684 CA LEU 45 14.819 -29.169 27.892 1.00 65.15 ATOM 685 HA LEU 45 14.091 -28.823 28.616 1.00 4.24 ATOM 686 CB LEU 45 14.109 -29.344 26.548 1.00 44.21 ATOM 687 HB1 LEU 45 13.291 -30.041 26.687 1.00 38.61 ATOM 688 HB2 LEU 45 14.820 -29.800 25.865 1.00 24.41 ATOM 689 CG LEU 45 13.568 -28.067 25.904 1.00 13.01 ATOM 690 HG LEU 45 14.104 -27.206 26.281 1.00 13.34 ATOM 691 CD1 LEU 45 13.770 -28.102 24.397 1.00 12.12 ATOM 692 HD11 LEU 45 14.792 -28.324 24.161 1.00 63.20 ATOM 693 HD12 LEU 45 13.504 -27.146 23.973 1.00 63.34 ATOM 694 HD13 LEU 45 13.142 -28.871 23.972 1.00 33.20 ATOM 695 CD2 LEU 45 12.096 -27.882 26.243 1.00 73.15 ATOM 696 HD21 LEU 45 11.953 -27.943 27.314 1.00 72.04 ATOM 697 HD22 LEU 45 11.516 -28.645 25.758 1.00 52.54 ATOM 698 HD23 LEU 45 11.769 -26.913 25.896 1.00 13.44 ATOM 699 C LEU 45 15.367 -30.511 28.369 1.00 54.44 ATOM 700 O LEU 45 14.723 -31.548 28.209 1.00 64.32 ATOM 701 N LYS 46 16.557 -30.482 28.957 1.00 25.42 ATOM 702 HN LYS 46 17.024 -29.634 29.085 1.00 38.61 ATOM 703 CA LYS 46 17.191 -31.695 29.462 1.00 41.13 ATOM 704 HA LYS 46 17.134 -32.451 28.686 1.00 15.31 ATOM 705 CB LYS 46 18.661 -31.427 29.793 1.00 12.22 ATOM 706 HB1 LYS 46 18.734 -30.960 30.769 1.00 38.61 ATOM 707 HB2 LYS 46 19.061 -30.749 29.053 1.00 32.34 ATOM 708 CG LYS 46 19.526 -32.675 29.772 1.00 5.31 ATOM 709 HG1 LYS 46 19.799 -32.890 28.749 1.00 38.61 ATOM 710 HG2 LYS 46 18.963 -33.496 30.169 1.00 61.25 ATOM 711 CD LYS 46 20.794 -32.488 30.589 1.00 43.24 ATOM 712 HD1 LYS 46 21.153 -31.471 30.483 1.00 38.61 ATOM 713 HD2 LYS 46 21.545 -33.170 30.217 1.00 41.33 ATOM 714 CE LYS 46 20.558 -32.787 32.061 1.00 2.11 ATOM 715 HE1 LYS 46 20.727 -33.837 32.230 1.00 38.61 ATOM 716 HE2 LYS 46 19.539 -32.538 32.329 1.00 25.52 ATOM 717 NZ LYS 46 21.479 -32.013 32.939 1.00 65.51 ATOM 718 HZ1 LYS 46 21.291 -32.240 33.937 1.00 23.43 ATOM 719 HZ2 LYS 46 21.340 -30.991 32.798 1.00 4.23 ATOM 720 HZ3 LYS 46 22.470 -32.251 32.724 1.00 64.31 ATOM 721 C LYS 46 16.466 -32.213 30.700 1.00 40.14 ATOM 722 O LYS 46 16.029 -33.363 30.739 1.00 70.23 ATOM 723 N ASP 47 16.341 -31.357 31.708 1.00 52.03 ATOM 724 HN ASP 47 16.687 -30.442 31.592 1.00 38.61 ATOM 725 CA ASP 47 15.666 -31.728 32.946 1.00 1.33 ATOM 726 HA ASP 47 16.209 -32.550 33.391 1.00 53.22 ATOM 727 CB ASP 47 15.666 -30.551 33.924 1.00 62.51 ATOM 728 HB1 ASP 47 15.428 -30.913 34.913 1.00 38.61 ATOM 729 HB2 ASP 47 14.922 -29.824 33.622 1.00 34.13 ATOM 730 CG ASP 47 17.008 -29.848 33.983 1.00 32.02 ATOM 731 OD1 ASP 47 17.855 -30.255 34.806 1.00 53.24 ATOM 732 OD2 ASP 47 17.211 -28.890 33.208 1.00 73.02 ATOM 733 C ASP 47 14.234 -32.177 32.672 1.00 44.13 ATOM 734 O ASP 47 13.755 -33.148 33.255 1.00 61.31 ATOM 735 N GLY 48 13.556 -31.462 31.780 1.00 54.43 ATOM 736 HN GLY 48 13.973 -30.685 31.346 1.00 38.61 ATOM 737 CA GLY 48 12.185 -31.801 31.444 1.00 21.24 ATOM 738 HA1 GLY 48 12.032 -32.864 31.524 1.00 38.61 ATOM 739 HA2 GLY 48 12.015 -31.511 30.418 1.00 62.53 ATOM 740 C GLY 48 11.178 -31.072 32.312 1.00 23.31 ATOM 741 O GLY 48 10.000 -30.984 31.968 1.00 52.35 ATOM 742 N VAL 49 11.642 -30.550 33.443 1.00 44.21 ATOM 743 HN VAL 49 12.586 -30.614 33.653 1.00 38.61 ATOM 744 CA VAL 49 10.774 -29.825 34.363 1.00 21.52 ATOM 745 HA VAL 49 10.076 -30.534 34.790 1.00 33.25 ATOM 746 CB VAL 49 11.580 -29.184 35.508 1.00 23.23 ATOM 747 HB VAL 49 12.270 -28.466 35.085 1.00 31.21 ATOM 748 CG1 VAL 49 10.656 -28.447 36.465 1.00 54.32 ATOM 749 HG11 VAL 49 9.867 -29.109 36.797 1.00 51.31 ATOM 750 HG12 VAL 49 10.224 -27.589 35.974 1.00 53.21 ATOM 751 HG13 VAL 49 11.219 -28.108 37.325 1.00 42.43 ATOM 752 CG2 VAL 49 12.391 -30.240 36.245 1.00 52.11 ATOM 753 HG21 VAL 49 13.140 -30.652 35.589 1.00 40.11 ATOM 754 HG22 VAL 49 11.736 -31.024 36.575 1.00 15.22 ATOM 755 HG23 VAL 49 12.879 -29.795 37.103 1.00 24.42 ATOM 756 C VAL 49 9.989 -28.738 33.638 1.00 64.22 ATOM 757 O VAL 49 8.873 -28.397 34.029 1.00 3.22 ATOM 758 N VAL 50 10.581 -28.197 32.577 1.00 34.12 ATOM 759 HN VAL 50 11.492 -28.469 32.326 1.00 38.61 ATOM 760 CA VAL 50 9.936 -27.149 31.795 1.00 45.12 ATOM 761 HA VAL 50 9.389 -26.499 32.471 1.00 21.22 ATOM 762 CB VAL 50 10.973 -26.293 31.043 1.00 52.14 ATOM 763 HB VAL 50 11.530 -26.936 30.375 1.00 62.54 ATOM 764 CG1 VAL 50 10.280 -25.227 30.208 1.00 41.42 ATOM 765 HG11 VAL 50 11.027 -24.612 29.734 1.00 42.41 ATOM 766 HG12 VAL 50 9.659 -24.610 30.841 1.00 65.23 ATOM 767 HG13 VAL 50 9.672 -25.686 29.444 1.00 1.30 ATOM 768 CG2 VAL 50 11.953 -25.663 32.020 1.00 2.23 ATOM 769 HG21 VAL 50 11.419 -25.027 32.713 1.00 32.30 ATOM 770 HG22 VAL 50 12.678 -25.072 31.477 1.00 35.44 ATOM 771 HG23 VAL 50 12.469 -26.438 32.569 1.00 74.21 ATOM 772 C VAL 50 8.954 -27.739 30.789 1.00 45.32 ATOM 773 O VAL 50 7.896 -27.165 30.528 1.00 21.00 ATOM 774 N LEU 51 9.311 -28.888 30.226 1.00 22.15 ATOM 775 HN LEU 51 10.182 -29.290 30.451 1.00 38.61 ATOM 776 CA LEU 51 8.461 -29.558 29.248 1.00 11.33 ATOM 777 HA LEU 51 8.408 -28.930 28.373 1.00 52.42 ATOM 778 CB LEU 51 9.056 -30.916 28.871 1.00 54.40 ATOM 779 HB1 LEU 51 8.273 -31.539 28.475 1.00 38.61 ATOM 780 HB2 LEU 51 9.420 -31.382 29.771 1.00 53.23 ATOM 781 CG LEU 51 10.193 -30.890 27.849 1.00 1.34 ATOM 782 HG LEU 51 10.946 -30.187 28.176 1.00 1.33 ATOM 783 CD1 LEU 51 10.846 -32.259 27.743 1.00 4.11 ATOM 784 HD11 LEU 51 10.128 -32.980 27.377 1.00 11.40 ATOM 785 HD12 LEU 51 11.195 -32.566 28.716 1.00 33.13 ATOM 786 HD13 LEU 51 11.684 -32.209 27.063 1.00 41.43 ATOM 787 CD2 LEU 51 9.680 -30.435 26.491 1.00 13.31 ATOM 788 HD21 LEU 51 10.469 -30.517 25.756 1.00 62.01 ATOM 789 HD22 LEU 51 9.360 -29.407 26.551 1.00 71.11 ATOM 790 HD23 LEU 51 8.848 -31.053 26.188 1.00 52.13 ATOM 791 C LEU 51 7.047 -29.742 29.791 1.00 4.11 ATOM 792 O LEU 51 6.073 -29.315 29.171 1.00 50.34 ATOM 793 N CYS 52 6.944 -30.378 30.952 1.00 34.15 ATOM 794 HN CYS 52 7.764 -30.699 31.400 1.00 38.61 ATOM 795 CA CYS 52 5.649 -30.618 31.580 1.00 12.41 ATOM 796 HA CYS 52 5.077 -31.264 30.927 1.00 33.13 ATOM 797 CB CYS 52 5.835 -31.295 32.938 1.00 33.44 ATOM 798 HB1 CYS 52 5.023 -31.023 33.603 1.00 38.61 ATOM 799 HB2 CYS 52 6.767 -30.966 33.371 1.00 71.44 ATOM 800 SG CYS 52 5.878 -33.101 32.862 1.00 30.44 ATOM 801 HG CYS 52 6.027 -33.453 31.593 1.00 54.31 ATOM 802 C CYS 52 4.878 -29.313 31.751 1.00 54.25 ATOM 803 O CYS 52 3.696 -29.230 31.414 1.00 22.13 ATOM 804 N ARG 53 5.553 -28.296 32.276 1.00 24.43 ATOM 805 HN ARG 53 6.497 -28.424 32.534 1.00 38.61 ATOM 806 CA ARG 53 4.931 -26.996 32.494 1.00 32.32 ATOM 807 HA ARG 53 4.145 -27.120 33.227 1.00 11.04 ATOM 808 CB ARG 53 5.960 -25.997 33.024 1.00 2.45 ATOM 809 HB1 ARG 53 5.563 -24.992 32.938 1.00 38.61 ATOM 810 HB2 ARG 53 6.854 -26.069 32.424 1.00 50.54 ATOM 811 CG ARG 53 6.335 -26.223 34.480 1.00 44.11 ATOM 812 HG1 ARG 53 6.638 -27.254 34.606 1.00 38.61 ATOM 813 HG2 ARG 53 5.475 -26.029 35.094 1.00 51.03 ATOM 814 CD ARG 53 7.486 -25.324 34.905 1.00 52.31 ATOM 815 HD1 ARG 53 7.218 -24.291 34.725 1.00 38.61 ATOM 816 HD2 ARG 53 8.355 -25.574 34.312 1.00 63.21 ATOM 817 NE ARG 53 7.822 -25.495 36.316 1.00 51.12 ATOM 818 HE ARG 53 8.671 -25.943 36.526 1.00 12.21 ATOM 819 CZ ARG 53 7.047 -25.079 37.312 1.00 43.15 ATOM 820 NH1 ARG 53 5.898 -24.471 37.052 1.00 0.22 ATOM 821 HH11 ARG 53 5.590 -24.298 36.124 1.00 71.40 ATOM 822 HH12 ARG 53 5.317 -24.175 37.814 1.00 40.52 ATOM 823 NH2 ARG 53 7.422 -25.271 38.570 1.00 73.31 ATOM 824 HH21 ARG 53 8.290 -25.730 38.773 1.00 24.53 ATOM 825 HH22 ARG 53 6.839 -24.958 39.323 1.00 4.34 ATOM 826 C ARG 53 4.310 -26.468 31.204 1.00 0.45 ATOM 827 O ARG 53 3.202 -25.929 31.211 1.00 4.22 ATOM 828 N LEU 54 5.031 -26.625 30.100 1.00 54.24 ATOM 829 HN LEU 54 5.918 -27.053 30.156 1.00 38.61 ATOM 830 CA LEU 54 4.551 -26.163 28.801 1.00 23.14 ATOM 831 HA LEU 54 4.367 -25.104 28.861 1.00 12.34 ATOM 832 CB LEU 54 5.608 -26.418 27.725 1.00 21.33 ATOM 833 HB1 LEU 54 6.016 -27.401 27.885 1.00 38.61 ATOM 834 HB2 LEU 54 6.405 -25.699 27.862 1.00 54.31 ATOM 835 CG LEU 54 5.125 -26.335 26.277 1.00 71.10 ATOM 836 HG LEU 54 4.288 -27.000 26.130 1.00 41.15 ATOM 837 CD1 LEU 54 4.664 -24.924 25.948 1.00 15.34 ATOM 838 HD11 LEU 54 3.897 -24.613 26.643 1.00 23.22 ATOM 839 HD12 LEU 54 4.263 -24.901 24.947 1.00 11.40 ATOM 840 HD13 LEU 54 5.506 -24.250 26.015 1.00 15.34 ATOM 841 CD2 LEU 54 6.225 -26.775 25.322 1.00 51.43 ATOM 842 HD21 LEU 54 5.873 -26.723 24.311 1.00 4.11 ATOM 843 HD22 LEU 54 6.506 -27.795 25.544 1.00 62.22 ATOM 844 HD23 LEU 54 7.082 -26.140 25.438 1.00 51.12 ATOM 845 C LEU 54 3.247 -26.858 28.424 1.00 12.41 ATOM 846 O LEU 54 2.271 -26.207 28.046 1.00 64.31 ATOM 847 N LEU 55 3.235 -28.182 28.531 1.00 2.43 ATOM 848 HN LEU 55 4.049 -28.649 28.837 1.00 38.61 ATOM 849 CA LEU 55 2.049 -28.965 28.204 1.00 62.44 ATOM 850 HA LEU 55 1.791 -28.759 27.175 1.00 41.04 ATOM 851 CB LEU 55 2.343 -30.459 28.355 1.00 41.03 ATOM 852 HB1 LEU 55 2.688 -30.636 29.364 1.00 38.61 ATOM 853 HB2 LEU 55 3.141 -30.698 27.675 1.00 54.24 ATOM 854 CG LEU 55 1.176 -31.405 28.070 1.00 13.24 ATOM 855 HG LEU 55 0.404 -31.250 28.810 1.00 63.42 ATOM 856 CD1 LEU 55 0.577 -31.117 26.703 1.00 73.35 ATOM 857 HD11 LEU 55 0.137 -30.134 26.698 1.00 43.31 ATOM 858 HD12 LEU 55 -0.186 -31.849 26.480 1.00 73.23 ATOM 859 HD13 LEU 55 1.345 -31.165 25.955 1.00 22.24 ATOM 860 CD2 LEU 55 1.629 -32.854 28.162 1.00 64.50 ATOM 861 HD21 LEU 55 2.654 -32.911 28.499 1.00 32.04 ATOM 862 HD22 LEU 55 1.553 -33.341 27.197 1.00 31.23 ATOM 863 HD23 LEU 55 0.999 -33.374 28.869 1.00 75.23 ATOM 864 C LEU 55 0.875 -28.574 29.094 1.00 14.13 ATOM 865 O LEU 55 -0.285 -28.718 28.707 1.00 5.13 ATOM 866 N GLU 56 1.183 -28.077 30.288 1.00 45.51 ATOM 867 HN GLU 56 2.123 -28.013 30.564 1.00 38.61 ATOM 868 CA GLU 56 0.152 -27.663 31.232 1.00 5.05 ATOM 869 HA GLU 56 -0.658 -28.384 31.192 1.00 74.24 ATOM 870 CB GLU 56 0.719 -27.619 32.653 1.00 30.42 ATOM 871 HB1 GLU 56 0.288 -26.787 33.198 1.00 38.61 ATOM 872 HB2 GLU 56 1.789 -27.464 32.601 1.00 4.21 ATOM 873 CG GLU 56 0.477 -28.894 33.444 1.00 11.13 ATOM 874 HG1 GLU 56 1.243 -28.976 34.202 1.00 38.61 ATOM 875 HG2 GLU 56 0.540 -29.749 32.783 1.00 74.20 ATOM 876 CD GLU 56 -0.876 -28.907 34.129 1.00 71.40 ATOM 877 OE1 GLU 56 -1.509 -29.983 34.170 1.00 61.44 ATOM 878 OE2 GLU 56 -1.302 -27.843 34.624 1.00 50.04 ATOM 879 C GLU 56 -0.413 -26.296 30.857 1.00 72.44 ATOM 880 O GLU 56 -1.583 -26.006 31.109 1.00 24.14 ATOM 881 N ARG 57 0.426 -25.461 30.252 1.00 35.41 ATOM 882 HN ARG 57 1.358 -25.735 30.092 1.00 38.61 ATOM 883 CA ARG 57 0.011 -24.125 29.843 1.00 54.02 ATOM 884 HA ARG 57 -0.350 -23.606 30.717 1.00 45.43 ATOM 885 CB ARG 57 1.192 -23.363 29.240 1.00 62.22 ATOM 886 HB1 ARG 57 0.825 -22.516 28.675 1.00 38.61 ATOM 887 HB2 ARG 57 1.720 -24.014 28.567 1.00 45.05 ATOM 888 CG ARG 57 2.182 -22.855 30.276 1.00 72.24 ATOM 889 HG1 ARG 57 3.025 -22.446 29.752 1.00 38.61 ATOM 890 HG2 ARG 57 2.500 -23.668 30.905 1.00 13.42 ATOM 891 CD ARG 57 1.571 -21.764 31.141 1.00 22.44 ATOM 892 HD1 ARG 57 2.315 -21.436 31.852 1.00 38.61 ATOM 893 HD2 ARG 57 0.727 -22.170 31.676 1.00 42.14 ATOM 894 NE ARG 57 1.140 -20.615 30.350 1.00 12.04 ATOM 895 HE ARG 57 1.393 -20.586 29.398 1.00 3.01 ATOM 896 CZ ARG 57 0.435 -19.604 30.847 1.00 72.35 ATOM 897 NH1 ARG 57 0.084 -19.601 32.125 1.00 31.11 ATOM 898 HH11 ARG 57 0.338 -20.347 32.737 1.00 50.41 ATOM 899 HH12 ARG 57 -0.449 -18.834 32.490 1.00 60.35 ATOM 900 NH2 ARG 57 0.080 -18.594 30.063 1.00 13.12 ATOM 901 HH21 ARG 57 0.342 -18.591 29.096 1.00 54.31 ATOM 902 HH22 ARG 57 -0.452 -17.830 30.435 1.00 21.04 ATOM 903 C ARG 57 -1.131 -24.196 28.833 1.00 14.43 ATOM 904 O ARG 57 -2.190 -23.600 29.035 1.00 54.31 ATOM 905 N LEU 58 -0.909 -24.927 27.747 1.00 51.12 ATOM 906 HN LEU 58 -0.063 -25.428 27.675 1.00 38.61 ATOM 907 CA LEU 58 -1.919 -25.075 26.705 1.00 71.43 ATOM 908 HA LEU 58 -2.441 -24.132 26.593 1.00 22.43 ATOM 909 CB LEU 58 -1.257 -25.425 25.371 1.00 44.00 ATOM 910 HB1 LEU 58 -1.952 -25.185 24.578 1.00 38.61 ATOM 911 HB2 LEU 58 -1.080 -26.497 25.351 1.00 13.54 ATOM 912 CG LEU 58 0.072 -24.727 25.078 1.00 0.12 ATOM 913 HG LEU 58 0.758 -24.887 25.893 1.00 51.25 ATOM 914 CD1 LEU 58 0.717 -25.308 23.829 1.00 35.14 ATOM 915 HD11 LEU 58 1.770 -25.086 23.848 1.00 74.25 ATOM 916 HD12 LEU 58 0.279 -24.870 22.944 1.00 62.13 ATOM 917 HD13 LEU 58 0.584 -26.381 23.803 1.00 51.34 ATOM 918 CD2 LEU 58 -0.136 -23.227 24.925 1.00 61.33 ATOM 919 HD21 LEU 58 0.820 -22.745 24.776 1.00 35.54 ATOM 920 HD22 LEU 58 -0.600 -22.827 25.816 1.00 73.31 ATOM 921 HD23 LEU 58 -0.766 -23.036 24.075 1.00 71.41 ATOM 922 C LEU 58 -2.934 -26.151 27.079 1.00 64.30 ATOM 923 O LEU 58 -4.141 -25.963 26.922 1.00 63.24 ATOM 924 N LEU 59 -2.436 -27.278 27.577 1.00 75.12 ATOM 925 HN LEU 59 -1.462 -27.383 27.681 1.00 38.61 ATOM 926 CA LEU 59 -3.300 -28.384 27.976 1.00 24.34 ATOM 927 HA LEU 59 -4.320 -28.156 27.720 1.00 61.51 ATOM 928 CB LEU 59 -2.895 -29.664 27.242 1.00 3.24 ATOM 929 HB1 LEU 59 -3.389 -30.501 27.719 1.00 38.61 ATOM 930 HB2 LEU 59 -1.836 -29.794 27.354 1.00 43.34 ATOM 931 CG LEU 59 -3.231 -29.717 25.752 1.00 62.43 ATOM 932 HG LEU 59 -2.736 -28.899 25.249 1.00 45.23 ATOM 933 CD1 LEU 59 -2.731 -31.016 25.138 1.00 33.32 ATOM 934 HD11 LEU 59 -3.133 -31.860 25.682 1.00 52.33 ATOM 935 HD12 LEU 59 -1.658 -31.040 25.178 1.00 54.24 ATOM 936 HD13 LEU 59 -3.045 -31.076 24.104 1.00 33.21 ATOM 937 CD2 LEU 59 -4.730 -29.566 25.537 1.00 3.01 ATOM 938 HD21 LEU 59 -5.261 -30.314 26.110 1.00 45.22 ATOM 939 HD22 LEU 59 -4.961 -29.691 24.487 1.00 23.42 ATOM 940 HD23 LEU 59 -5.046 -28.584 25.848 1.00 51.33 ATOM 941 C LEU 59 -3.236 -28.607 29.484 1.00 61.41 ATOM 942 O LEU 59 -2.645 -29.573 29.969 1.00 54.30 ATOM 943 N PRO 60 -3.860 -27.695 30.244 1.00 20.52 ATOM 944 CA PRO 60 -3.891 -27.773 31.708 1.00 41.42 ATOM 945 HA PRO 60 -2.893 -27.855 32.118 1.00 31.15 ATOM 946 CB PRO 60 -4.499 -26.430 32.121 1.00 41.11 ATOM 947 HB1 PRO 60 -3.708 -25.725 32.322 1.00 38.61 ATOM 948 HB2 PRO 60 -5.113 -26.541 33.007 1.00 14.15 ATOM 949 CG PRO 60 -5.309 -26.003 30.946 1.00 71.33 ATOM 950 HG1 PRO 60 -5.371 -24.925 30.915 1.00 38.61 ATOM 951 HG2 PRO 60 -6.297 -26.435 31.004 1.00 35.11 ATOM 952 CD PRO 60 -4.584 -26.519 29.734 1.00 61.24 ATOM 953 HD1 PRO 60 -3.900 -25.768 29.385 1.00 38.61 ATOM 954 HD2 PRO 60 -5.290 -26.788 28.965 1.00 23.13 ATOM 955 C PRO 60 -4.754 -28.925 32.209 1.00 31.15 ATOM 956 O PRO 60 -5.958 -28.966 31.960 1.00 12.13 ATOM 957 N GLY 61 -4.130 -29.861 32.919 1.00 52.03 ATOM 958 HN GLY 61 -3.175 -29.776 33.108 1.00 38.61 ATOM 959 CA GLY 61 -4.857 -31.001 33.444 1.00 34.44 ATOM 960 HA1 GLY 61 -5.925 -30.861 33.335 1.00 38.61 ATOM 961 HA2 GLY 61 -4.633 -31.089 34.497 1.00 21.33 ATOM 962 C GLY 61 -4.468 -32.300 32.767 1.00 64.11 ATOM 963 O GLY 61 -5.217 -33.277 32.801 1.00 63.00 ATOM 964 N THR 62 -3.292 -32.313 32.147 1.00 44.32 ATOM 965 HN THR 62 -2.728 -31.514 32.136 1.00 38.61 ATOM 966 CA THR 62 -2.805 -33.500 31.456 1.00 43.24 ATOM 967 HA THR 62 -3.611 -34.225 31.391 1.00 65.33 ATOM 968 CB THR 62 -2.341 -33.166 30.025 1.00 25.32 ATOM 969 HB THR 62 -1.306 -32.844 30.045 1.00 24.02 ATOM 970 OG1 THR 62 -3.132 -32.100 29.490 1.00 44.43 ATOM 971 HG1 THR 62 -4.068 -32.342 29.464 1.00 11.12 ATOM 972 CG2 THR 62 -2.448 -34.386 29.123 1.00 21.41 ATOM 973 HG21 THR 62 -2.118 -34.126 28.128 1.00 23.01 ATOM 974 HG22 THR 62 -3.475 -34.719 29.084 1.00 10.32 ATOM 975 HG23 THR 62 -1.826 -35.180 29.511 1.00 1.33 ATOM 976 C THR 62 -1.650 -34.144 32.215 1.00 14.51 ATOM 977 O THR 62 -1.437 -35.353 32.130 1.00 71.32 ATOM 978 N ILE 63 -0.909 -33.328 32.958 1.00 73.32 ATOM 979 HN ILE 63 -1.107 -32.368 32.991 1.00 38.61 ATOM 980 CA ILE 63 0.222 -33.820 33.734 1.00 44.12 ATOM 981 HA ILE 63 0.603 -34.721 33.260 1.00 73.54 ATOM 982 CB ILE 63 1.367 -32.790 33.774 1.00 63.52 ATOM 983 HB ILE 63 1.015 -31.903 34.284 1.00 25.34 ATOM 984 CG1 ILE 63 1.789 -32.409 32.353 1.00 12.54 ATOM 985 HG11 ILE 63 2.538 -31.631 32.406 1.00 38.61 ATOM 986 HG12 ILE 63 0.936 -32.034 31.806 1.00 20.45 ATOM 987 CG2 ILE 63 2.551 -33.345 34.552 1.00 10.35 ATOM 988 HG21 ILE 63 2.303 -33.400 35.601 1.00 40.33 ATOM 989 HG22 ILE 63 3.405 -32.692 34.432 1.00 0.12 ATOM 990 HG23 ILE 63 2.804 -34.333 34.193 1.00 14.04 ATOM 991 CD1 ILE 63 2.377 -33.559 31.568 1.00 70.44 ATOM 992 HD11 ILE 63 2.750 -33.187 30.630 1.00 43.31 ATOM 993 HD12 ILE 63 1.613 -34.296 31.379 1.00 31.32 ATOM 994 HD13 ILE 63 3.187 -34.015 32.110 1.00 0.41 ATOM 995 C ILE 63 -0.194 -34.156 35.162 1.00 55.43 ATOM 996 O ILE 63 -0.450 -33.263 35.970 1.00 72.44 ATOM 997 N GLU 64 -0.259 -35.448 35.465 1.00 21.33 ATOM 998 HN GLU 64 -0.037 -36.119 34.776 1.00 38.61 ATOM 999 CA GLU 64 -0.644 -35.901 36.797 1.00 62.32 ATOM 1000 HA GLU 64 -1.572 -35.413 37.068 1.00 15.15 ATOM 1001 CB GLU 64 -0.869 -37.415 36.799 1.00 10.35 ATOM 1002 HB1 GLU 64 -0.004 -37.895 36.365 1.00 38.61 ATOM 1003 HB2 GLU 64 -1.733 -37.630 36.184 1.00 55.21 ATOM 1004 CG GLU 64 -1.091 -37.995 38.186 1.00 3.43 ATOM 1005 HG1 GLU 64 -1.663 -37.294 38.781 1.00 38.61 ATOM 1006 HG2 GLU 64 -0.130 -38.157 38.651 1.00 44.41 ATOM 1007 CD GLU 64 -1.838 -39.314 38.154 1.00 4.14 ATOM 1008 OE1 GLU 64 -1.580 -40.118 37.234 1.00 34.44 ATOM 1009 OE2 GLU 64 -2.679 -39.542 39.049 1.00 41.25 ATOM 1010 C GLU 64 0.421 -35.533 37.826 1.00 41.32 ATOM 1011 O GLU 64 0.117 -34.964 38.875 1.00 41.24 ATOM 1012 N LYS 65 1.671 -35.862 37.519 1.00 42.55 ATOM 1013 HN LYS 65 1.855 -36.334 36.672 1.00 38.61 ATOM 1014 CA LYS 65 2.783 -35.566 38.414 1.00 11.43 ATOM 1015 HA LYS 65 2.523 -34.704 39.020 1.00 24.05 ATOM 1016 CB LYS 65 3.050 -36.755 39.339 1.00 21.32 ATOM 1017 HB1 LYS 65 3.369 -37.602 38.746 1.00 38.61 ATOM 1018 HB2 LYS 65 2.124 -37.008 39.838 1.00 44.13 ATOM 1019 CG LYS 65 4.110 -36.481 40.392 1.00 32.12 ATOM 1020 HG1 LYS 65 3.913 -35.522 40.854 1.00 38.61 ATOM 1021 HG2 LYS 65 5.073 -36.453 39.902 1.00 24.42 ATOM 1022 CD LYS 65 4.115 -37.552 41.470 1.00 12.23 ATOM 1023 HD1 LYS 65 3.867 -38.512 41.031 1.00 38.61 ATOM 1024 HD2 LYS 65 3.376 -37.300 42.217 1.00 22.30 ATOM 1025 CE LYS 65 5.478 -37.667 42.135 1.00 10.02 ATOM 1026 HE1 LYS 65 6.250 -37.381 41.439 1.00 38.61 ATOM 1027 HE2 LYS 65 5.630 -38.694 42.431 1.00 13.44 ATOM 1028 NZ LYS 65 5.580 -36.803 43.344 1.00 44.13 ATOM 1029 HZ1 LYS 65 5.436 -35.804 43.088 1.00 63.23 ATOM 1030 HZ2 LYS 65 6.522 -36.904 43.774 1.00 54.10 ATOM 1031 HZ3 LYS 65 4.862 -37.078 44.047 1.00 63.40 ATOM 1032 C LYS 65 4.044 -35.229 37.624 1.00 34.23 ATOM 1033 O LYS 65 4.195 -35.639 36.473 1.00 13.22 ATOM 1034 N VAL 66 4.947 -34.482 38.250 1.00 3.04 ATOM 1035 HN VAL 66 4.761 -34.154 39.161 1.00 38.61 ATOM 1036 CA VAL 66 6.196 -34.093 37.607 1.00 43.04 ATOM 1037 HA VAL 66 6.421 -34.812 36.823 1.00 54.12 ATOM 1038 CB VAL 66 6.089 -32.693 36.972 1.00 33.54 ATOM 1039 HB VAL 66 5.136 -32.618 36.468 1.00 45.53 ATOM 1040 CG1 VAL 66 6.145 -31.616 38.044 1.00 11.42 ATOM 1041 HG11 VAL 66 7.170 -31.377 38.279 1.00 14.35 ATOM 1042 HG12 VAL 66 5.637 -31.948 38.941 1.00 65.41 ATOM 1043 HG13 VAL 66 5.654 -30.728 37.673 1.00 73.43 ATOM 1044 CG2 VAL 66 7.189 -32.490 35.942 1.00 71.02 ATOM 1045 HG21 VAL 66 7.294 -33.372 35.329 1.00 54.41 ATOM 1046 HG22 VAL 66 8.129 -32.286 36.436 1.00 10.25 ATOM 1047 HG23 VAL 66 6.936 -31.652 35.326 1.00 12.34 ATOM 1048 C VAL 66 7.352 -34.101 38.600 1.00 25.12 ATOM 1049 O VAL 66 7.143 -34.062 39.813 1.00 71.31 ATOM 1050 N TYR 67 8.573 -34.151 38.079 1.00 60.45 ATOM 1051 HN TYR 67 8.690 -34.226 37.107 1.00 38.61 ATOM 1052 CA TYR 67 9.764 -34.167 38.920 1.00 52.42 ATOM 1053 HA TYR 67 9.478 -34.297 39.949 1.00 5.04 ATOM 1054 CB TYR 67 10.668 -35.340 38.539 1.00 41.12 ATOM 1055 HB1 TYR 67 11.546 -35.329 39.173 1.00 38.61 ATOM 1056 HB2 TYR 67 10.979 -35.233 37.513 1.00 31.45 ATOM 1057 CG TYR 67 10.009 -36.691 38.703 1.00 51.32 ATOM 1058 CD1 TYR 67 10.269 -37.725 37.812 1.00 55.12 ATOM 1059 HD1 TYR 67 10.946 -37.557 36.996 1.00 60.02 ATOM 1060 CD2 TYR 67 9.126 -36.933 39.748 1.00 50.32 ATOM 1061 HD2 TYR 67 8.907 -36.155 40.460 1.00 3.41 ATOM 1062 CE1 TYR 67 9.668 -38.961 37.957 1.00 1.42 ATOM 1063 HE1 TYR 67 9.883 -39.753 37.267 1.00 65.45 ATOM 1064 CE2 TYR 67 8.522 -38.166 39.902 1.00 42.52 ATOM 1065 HE2 TYR 67 7.848 -38.339 40.721 1.00 20.31 ATOM 1066 CZ TYR 67 8.796 -39.176 39.004 1.00 62.10 ATOM 1067 OH TYR 67 8.196 -40.405 39.153 1.00 34.21 ATOM 1068 HH TYR 67 8.838 -41.046 39.473 1.00 12.31 ATOM 1069 C TYR 67 10.534 -32.855 38.797 1.00 22.43 ATOM 1070 O TYR 67 11.506 -32.744 38.049 1.00 15.21 ATOM 1071 N PRO 68 10.091 -31.838 39.551 1.00 44.24 ATOM 1072 CA PRO 68 10.724 -30.516 39.546 1.00 45.40 ATOM 1073 HA PRO 68 10.808 -30.124 38.548 1.00 44.13 ATOM 1074 CB PRO 68 9.754 -29.655 40.359 1.00 25.14 ATOM 1075 HB1 PRO 68 9.063 -29.168 39.688 1.00 38.61 ATOM 1076 HB2 PRO 68 10.288 -28.906 40.931 1.00 72.23 ATOM 1077 CG PRO 68 9.045 -30.619 41.247 1.00 63.25 ATOM 1078 HG1 PRO 68 8.061 -30.244 41.486 1.00 38.61 ATOM 1079 HG2 PRO 68 9.617 -30.776 42.149 1.00 43.52 ATOM 1080 CD PRO 68 8.939 -31.900 40.465 1.00 1.34 ATOM 1081 HD1 PRO 68 8.021 -31.913 39.934 1.00 38.61 ATOM 1082 HD2 PRO 68 9.007 -32.743 41.134 1.00 74.52 ATOM 1083 C PRO 68 12.102 -30.530 40.201 1.00 55.12 ATOM 1084 O PRO 68 12.919 -29.641 39.965 1.00 24.32 ATOM 1085 N GLU 69 12.350 -31.544 41.023 1.00 64.40 ATOM 1086 HN GLU 69 11.656 -32.214 41.208 1.00 38.61 ATOM 1087 CA GLU 69 13.629 -31.673 41.712 1.00 43.35 ATOM 1088 HA GLU 69 14.354 -31.013 41.253 1.00 13.34 ATOM 1089 CB GLU 69 13.488 -31.261 43.178 1.00 13.53 ATOM 1090 HB1 GLU 69 13.386 -30.186 43.222 1.00 38.61 ATOM 1091 HB2 GLU 69 14.384 -31.546 43.718 1.00 14.32 ATOM 1092 CG GLU 69 12.282 -31.875 43.870 1.00 64.34 ATOM 1093 HG1 GLU 69 12.262 -32.938 43.686 1.00 38.61 ATOM 1094 HG2 GLU 69 11.388 -31.428 43.464 1.00 3.42 ATOM 1095 CD GLU 69 12.291 -31.649 45.369 1.00 43.31 ATOM 1096 OE1 GLU 69 11.775 -32.516 46.104 1.00 64.42 ATOM 1097 OE2 GLU 69 12.815 -30.603 45.807 1.00 11.20 ATOM 1098 C GLU 69 14.154 -33.103 41.622 1.00 4.32 ATOM 1099 O GLU 69 14.159 -33.851 42.600 1.00 65.23 ATOM 1100 N PRO 70 14.607 -33.493 40.421 1.00 14.51 ATOM 1101 CA PRO 70 15.142 -34.835 40.174 1.00 1.42 ATOM 1102 HA PRO 70 14.444 -35.596 40.482 1.00 11.04 ATOM 1103 CB PRO 70 15.306 -34.877 38.653 1.00 43.31 ATOM 1104 HB1 PRO 70 14.421 -35.309 38.210 1.00 38.61 ATOM 1105 HB2 PRO 70 16.164 -35.469 38.389 1.00 60.43 ATOM 1106 CG PRO 70 15.466 -33.451 38.250 1.00 71.54 ATOM 1107 HG1 PRO 70 15.109 -33.312 37.240 1.00 38.61 ATOM 1108 HG2 PRO 70 16.504 -33.162 38.325 1.00 1.42 ATOM 1109 CD PRO 70 14.631 -32.653 39.212 1.00 55.14 ATOM 1110 HD1 PRO 70 13.644 -32.506 38.823 1.00 38.61 ATOM 1111 HD2 PRO 70 15.105 -31.704 39.407 1.00 23.23 ATOM 1112 C PRO 70 16.485 -35.058 40.861 1.00 32.54 ATOM 1113 O PRO 70 17.302 -34.143 40.961 1.00 12.03 ATOM 1114 N ARG 71 16.706 -36.281 41.333 1.00 23.01 ATOM 1115 HN ARG 71 16.004 -36.965 41.253 1.00 38.61 ATOM 1116 CA ARG 71 17.950 -36.624 42.012 1.00 62.34 ATOM 1117 HA ARG 71 18.568 -35.740 42.070 1.00 61.11 ATOM 1118 CB ARG 71 17.661 -37.135 43.424 1.00 22.33 ATOM 1119 HB1 ARG 71 17.368 -38.177 43.380 1.00 38.61 ATOM 1120 HB2 ARG 71 16.838 -36.567 43.841 1.00 42.23 ATOM 1121 CG ARG 71 18.846 -37.016 44.369 1.00 32.12 ATOM 1122 HG1 ARG 71 19.704 -37.501 43.925 1.00 38.61 ATOM 1123 HG2 ARG 71 18.600 -37.503 45.301 1.00 51.31 ATOM 1124 CD ARG 71 19.190 -35.562 44.650 1.00 44.22 ATOM 1125 HD1 ARG 71 18.285 -35.005 44.861 1.00 38.61 ATOM 1126 HD2 ARG 71 19.662 -35.148 43.772 1.00 11.34 ATOM 1127 NE ARG 71 20.115 -35.425 45.772 1.00 64.13 ATOM 1128 HE ARG 71 21.052 -35.221 45.561 1.00 22.52 ATOM 1129 CZ ARG 71 19.754 -35.561 47.043 1.00 62.42 ATOM 1130 NH1 ARG 71 18.495 -35.837 47.352 1.00 74.05 ATOM 1131 HH11 ARG 71 17.795 -35.948 46.652 1.00 33.32 ATOM 1132 HH12 ARG 71 18.235 -35.938 48.315 1.00 24.34 ATOM 1133 NH2 ARG 71 20.654 -35.422 48.008 1.00 30.40 ATOM 1134 HH21 ARG 71 21.608 -35.214 47.781 1.00 5.21 ATOM 1135 HH22 ARG 71 20.384 -35.524 48.968 1.00 2.11 ATOM 1136 C ARG 71 18.725 -37.679 41.226 1.00 12.23 ATOM 1137 O ARG 71 19.945 -37.784 41.346 1.00 23.12 ATOM 1138 N SER 72 18.007 -38.457 40.423 1.00 34.44 ATOM 1139 HN SER 72 17.037 -38.355 40.363 1.00 38.61 ATOM 1140 CA SER 72 18.625 -39.507 39.622 1.00 44.52 ATOM 1141 HA SER 72 19.692 -39.521 39.807 1.00 15.21 ATOM 1142 CB SER 72 18.054 -40.873 40.004 1.00 62.43 ATOM 1143 HB1 SER 72 18.556 -41.649 39.446 1.00 38.61 ATOM 1144 HB2 SER 72 16.996 -40.899 39.782 1.00 11.51 ATOM 1145 OG SER 72 18.231 -41.132 41.386 1.00 63.24 ATOM 1146 HG SER 72 17.551 -40.677 41.890 1.00 60.25 ATOM 1147 C SER 72 18.411 -39.251 38.133 1.00 13.21 ATOM 1148 O SER 72 17.829 -38.239 37.745 1.00 51.45 ATOM 1149 N GLU 73 18.885 -40.177 37.305 1.00 1.35 ATOM 1150 HN GLU 73 19.358 -40.962 37.667 1.00 38.61 ATOM 1151 CA GLU 73 18.746 -40.051 35.859 1.00 31.24 ATOM 1152 HA GLU 73 18.887 -39.007 35.595 1.00 31.02 ATOM 1153 CB GLU 73 19.808 -40.892 35.148 1.00 72.13 ATOM 1154 HB1 GLU 73 19.471 -41.920 35.096 1.00 38.61 ATOM 1155 HB2 GLU 73 20.722 -40.858 35.728 1.00 71.14 ATOM 1156 CG GLU 73 20.134 -40.402 33.747 1.00 5.31 ATOM 1157 HG1 GLU 73 20.810 -39.565 33.830 1.00 38.61 ATOM 1158 HG2 GLU 73 19.224 -40.084 33.255 1.00 13.25 ATOM 1159 CD GLU 73 20.789 -41.470 32.893 1.00 51.12 ATOM 1160 OE1 GLU 73 20.386 -42.647 33.004 1.00 52.22 ATOM 1161 OE2 GLU 73 21.704 -41.130 32.114 1.00 53.30 ATOM 1162 C GLU 73 17.353 -40.482 35.407 1.00 4.35 ATOM 1163 O GLU 73 16.751 -39.856 34.535 1.00 64.33 ATOM 1164 N SER 74 16.848 -41.555 36.008 1.00 42.42 ATOM 1165 HN SER 74 17.382 -42.027 36.690 1.00 38.61 ATOM 1166 CA SER 74 15.529 -42.072 35.665 1.00 71.32 ATOM 1167 HA SER 74 15.564 -42.425 34.644 1.00 25.02 ATOM 1168 CB SER 74 15.163 -43.242 36.580 1.00 32.05 ATOM 1169 HB1 SER 74 14.479 -43.897 36.060 1.00 38.61 ATOM 1170 HB2 SER 74 14.690 -42.877 37.485 1.00 12.03 ATOM 1171 OG SER 74 16.313 -43.986 36.943 1.00 45.34 ATOM 1172 HG SER 74 16.593 -43.744 37.830 1.00 50.31 ATOM 1173 C SER 74 14.471 -40.978 35.771 1.00 3.15 ATOM 1174 O SER 74 13.647 -40.808 34.874 1.00 35.23 ATOM 1175 N GLU 75 14.503 -40.239 36.876 1.00 41.52 ATOM 1176 HN GLU 75 15.186 -40.425 37.564 1.00 38.61 ATOM 1177 CA GLU 75 13.547 -39.161 37.101 1.00 52.14 ATOM 1178 HA GLU 75 12.549 -39.569 36.996 1.00 51.41 ATOM 1179 CB GLU 75 13.714 -38.586 38.509 1.00 71.32 ATOM 1180 HB1 GLU 75 13.413 -37.543 38.505 1.00 38.61 ATOM 1181 HB2 GLU 75 14.757 -38.641 38.792 1.00 34.34 ATOM 1182 CG GLU 75 12.901 -39.316 39.565 1.00 72.34 ATOM 1183 HG1 GLU 75 13.539 -40.041 40.049 1.00 38.61 ATOM 1184 HG2 GLU 75 12.069 -39.829 39.099 1.00 12.11 ATOM 1185 CD GLU 75 12.348 -38.383 40.624 1.00 5.13 ATOM 1186 OE1 GLU 75 11.173 -38.552 41.011 1.00 63.23 ATOM 1187 OE2 GLU 75 13.093 -37.483 41.067 1.00 15.22 ATOM 1188 C GLU 75 13.720 -38.054 36.064 1.00 23.51 ATOM 1189 O GLU 75 12.742 -37.517 35.545 1.00 15.50 ATOM 1190 N CYS 76 14.971 -37.720 35.769 1.00 64.05 ATOM 1191 HN CYS 76 15.717 -38.175 36.228 1.00 38.61 ATOM 1192 CA CYS 76 15.274 -36.677 34.795 1.00 4.32 ATOM 1193 HA CYS 76 14.864 -35.745 35.163 1.00 75.12 ATOM 1194 CB CYS 76 16.787 -36.531 34.627 1.00 65.43 ATOM 1195 HB1 CYS 76 17.000 -35.961 33.730 1.00 38.61 ATOM 1196 HB2 CYS 76 17.233 -37.506 34.536 1.00 63.42 ATOM 1197 SG CYS 76 17.605 -35.685 36.000 1.00 62.35 ATOM 1198 HG CYS 76 18.361 -34.721 35.494 1.00 53.12 ATOM 1199 C CYS 76 14.628 -36.985 33.449 1.00 72.13 ATOM 1200 O CYS 76 14.067 -36.101 32.800 1.00 45.42 ATOM 1201 N LEU 77 14.710 -38.244 33.033 1.00 24.13 ATOM 1202 HN LEU 77 15.173 -38.912 33.593 1.00 38.61 ATOM 1203 CA LEU 77 14.134 -38.670 31.762 1.00 5.23 ATOM 1204 HA LEU 77 14.395 -37.940 31.005 1.00 30.33 ATOM 1205 CB LEU 77 14.706 -40.027 31.350 1.00 63.40 ATOM 1206 HB1 LEU 77 14.125 -40.413 30.518 1.00 38.61 ATOM 1207 HB2 LEU 77 14.569 -40.698 32.190 1.00 11.15 ATOM 1208 CG LEU 77 16.183 -40.041 30.953 1.00 20.24 ATOM 1209 HG LEU 77 16.740 -39.395 31.619 1.00 75.13 ATOM 1210 CD1 LEU 77 16.757 -41.444 31.082 1.00 41.42 ATOM 1211 HD11 LEU 77 17.806 -41.432 30.820 1.00 54.33 ATOM 1212 HD12 LEU 77 16.230 -42.117 30.420 1.00 24.13 ATOM 1213 HD13 LEU 77 16.649 -41.787 32.102 1.00 35.42 ATOM 1214 CD2 LEU 77 16.359 -39.519 29.535 1.00 3.52 ATOM 1215 HD21 LEU 77 16.034 -38.490 29.486 1.00 30.34 ATOM 1216 HD22 LEU 77 15.771 -40.116 28.851 1.00 44.14 ATOM 1217 HD23 LEU 77 17.400 -39.580 29.256 1.00 32.22 ATOM 1218 C LEU 77 12.614 -38.752 31.854 1.00 61.23 ATOM 1219 O LEU 77 11.910 -38.526 30.870 1.00 60.44 ATOM 1220 N SER 78 12.115 -39.075 33.042 1.00 15.04 ATOM 1221 HN SER 78 12.723 -39.267 33.792 1.00 38.61 ATOM 1222 CA SER 78 10.677 -39.189 33.262 1.00 5.53 ATOM 1223 HA SER 78 10.296 -39.961 32.607 1.00 74.21 ATOM 1224 CB SER 78 10.392 -39.586 34.712 1.00 52.02 ATOM 1225 HB1 SER 78 9.417 -39.220 35.014 1.00 38.61 ATOM 1226 HB2 SER 78 11.139 -39.171 35.361 1.00 2.14 ATOM 1227 OG SER 78 10.399 -40.995 34.865 1.00 4.33 ATOM 1228 HG SER 78 9.912 -41.239 35.656 1.00 52.11 ATOM 1229 C SER 78 9.972 -37.876 32.935 1.00 43.15 ATOM 1230 O SER 78 8.899 -37.869 32.334 1.00 14.33 ATOM 1231 N ASN 79 10.585 -36.766 33.334 1.00 65.41 ATOM 1232 HN ASN 79 11.436 -36.831 33.829 1.00 38.61 ATOM 1233 CA ASN 79 10.017 -35.447 33.084 1.00 42.32 ATOM 1234 HA ASN 79 9.106 -35.362 33.661 1.00 24.00 ATOM 1235 CB ASN 79 11.001 -34.356 33.511 1.00 40.43 ATOM 1236 HB1 ASN 79 10.737 -33.445 33.022 1.00 38.61 ATOM 1237 HB2 ASN 79 11.997 -34.646 33.225 1.00 52.03 ATOM 1238 CG ASN 79 10.966 -34.098 35.005 1.00 52.43 ATOM 1239 OD1 ASN 79 9.919 -34.216 35.642 1.00 40.33 ATOM 1240 ND2 ASN 79 12.114 -33.743 35.571 1.00 75.01 ATOM 1241 HD21 ASN 79 12.920 -33.663 35.011 1.00 13.32 ATOM 1242 HD22 ASN 79 12.114 -33.575 36.535 1.00 44.24 ATOM 1243 C ASN 79 9.662 -35.278 31.610 1.00 75.13 ATOM 1244 O ASN 79 8.685 -34.610 31.269 1.00 0.21 ATOM 1245 N ILE 80 10.460 -35.889 30.741 1.00 51.43 ATOM 1246 HN ILE 80 11.244 -36.392 31.061 1.00 38.61 ATOM 1247 CA ILE 80 10.228 -35.807 29.304 1.00 63.52 ATOM 1248 HA ILE 80 9.915 -34.795 29.062 1.00 70.31 ATOM 1249 CB ILE 80 11.511 -36.115 28.509 1.00 72.43 ATOM 1250 HB ILE 80 11.817 -37.118 28.756 1.00 43.22 ATOM 1251 CG1 ILE 80 12.623 -35.138 28.895 1.00 62.34 ATOM 1252 HG11 ILE 80 12.606 -34.956 29.961 1.00 38.61 ATOM 1253 HG12 ILE 80 12.488 -34.207 28.385 1.00 20.24 ATOM 1254 CG2 ILE 80 11.236 -36.050 27.014 1.00 52.32 ATOM 1255 HG21 ILE 80 10.852 -35.073 26.755 1.00 53.32 ATOM 1256 HG22 ILE 80 10.523 -36.798 26.740 1.00 33.54 ATOM 1257 HG23 ILE 80 12.143 -36.228 26.470 1.00 14.33 ATOM 1258 CD1 ILE 80 14.011 -35.639 28.558 1.00 15.42 ATOM 1259 HD11 ILE 80 14.030 -36.044 27.557 1.00 74.40 ATOM 1260 HD12 ILE 80 14.293 -36.409 29.260 1.00 34.20 ATOM 1261 HD13 ILE 80 14.712 -34.820 28.626 1.00 41.34 ATOM 1262 C ILE 80 9.130 -36.772 28.869 1.00 40.33 ATOM 1263 O ILE 80 8.232 -36.404 28.111 1.00 32.32 ATOM 1264 N ARG 81 9.208 -38.006 29.354 1.00 34.43 ATOM 1265 HN ARG 81 9.960 -38.247 29.947 1.00 38.61 ATOM 1266 CA ARG 81 8.220 -39.024 29.016 1.00 14.22 ATOM 1267 HA ARG 81 8.310 -39.234 27.972 1.00 0.24 ATOM 1268 CB ARG 81 8.467 -40.295 29.830 1.00 33.31 ATOM 1269 HB1 ARG 81 7.522 -40.782 30.051 1.00 38.61 ATOM 1270 HB2 ARG 81 8.940 -40.030 30.766 1.00 75.30 ATOM 1271 CG ARG 81 9.358 -41.306 29.126 1.00 54.30 ATOM 1272 HG1 ARG 81 9.569 -42.118 29.806 1.00 38.61 ATOM 1273 HG2 ARG 81 10.283 -40.826 28.840 1.00 45.53 ATOM 1274 CD ARG 81 8.688 -41.867 27.881 1.00 32.05 ATOM 1275 HD1 ARG 81 8.589 -41.071 27.159 1.00 38.61 ATOM 1276 HD2 ARG 81 7.707 -42.242 28.142 1.00 31.45 ATOM 1277 NE ARG 81 9.461 -42.954 27.287 1.00 42.45 ATOM 1278 HE ARG 81 10.199 -43.339 27.816 1.00 13.23 ATOM 1279 CZ ARG 81 9.220 -43.452 26.079 1.00 42.21 ATOM 1280 NH1 ARG 81 8.233 -42.963 25.342 1.00 53.15 ATOM 1281 HH11 ARG 81 7.653 -42.221 25.671 1.00 62.04 ATOM 1282 HH12 ARG 81 8.061 -43.344 24.431 1.00 40.10 ATOM 1283 NH2 ARG 81 9.968 -44.441 25.606 1.00 1.35 ATOM 1284 HH21 ARG 81 10.716 -44.815 26.158 1.00 15.34 ATOM 1285 HH22 ARG 81 9.788 -44.818 24.695 1.00 51.02 ATOM 1286 C ARG 81 6.804 -38.512 29.269 1.00 63.43 ATOM 1287 O ARG 81 5.932 -38.624 28.408 1.00 13.13 ATOM 1288 N GLU 82 6.586 -37.952 30.454 1.00 35.43 ATOM 1289 HN GLU 82 7.327 -37.900 31.103 1.00 38.61 ATOM 1290 CA GLU 82 5.276 -37.426 30.820 1.00 52.44 ATOM 1291 HA GLU 82 4.582 -38.257 30.836 1.00 75.40 ATOM 1292 CB GLU 82 5.332 -36.773 32.202 1.00 14.33 ATOM 1293 HB1 GLU 82 5.087 -35.729 32.115 1.00 38.61 ATOM 1294 HB2 GLU 82 6.330 -36.853 32.610 1.00 54.11 ATOM 1295 CG GLU 82 4.362 -37.381 33.202 1.00 41.51 ATOM 1296 HG1 GLU 82 3.368 -37.377 32.776 1.00 38.61 ATOM 1297 HG2 GLU 82 4.369 -36.780 34.099 1.00 3.52 ATOM 1298 CD GLU 82 4.725 -38.805 33.575 1.00 43.31 ATOM 1299 OE1 GLU 82 5.916 -39.163 33.462 1.00 1.10 ATOM 1300 OE2 GLU 82 3.818 -39.561 33.980 1.00 13.02 ATOM 1301 C GLU 82 4.789 -36.413 29.786 1.00 21.54 ATOM 1302 O GLU 82 3.609 -36.385 29.437 1.00 13.44 ATOM 1303 N PHE 83 5.707 -35.584 29.301 1.00 20.03 ATOM 1304 HN PHE 83 6.638 -35.646 29.622 1.00 38.61 ATOM 1305 CA PHE 83 5.372 -34.569 28.309 1.00 3.24 ATOM 1306 HA PHE 83 4.524 -34.007 28.673 1.00 12.54 ATOM 1307 CB PHE 83 6.548 -33.609 28.114 1.00 14.35 ATOM 1308 HB1 PHE 83 7.444 -34.181 27.929 1.00 38.61 ATOM 1309 HB2 PHE 83 6.684 -33.037 29.023 1.00 33.22 ATOM 1310 CG PHE 83 6.354 -32.648 26.977 1.00 41.53 ATOM 1311 CD1 PHE 83 6.893 -32.914 25.728 1.00 4.44 ATOM 1312 HD1 PHE 83 7.458 -33.823 25.572 1.00 25.22 ATOM 1313 CD2 PHE 83 5.633 -31.478 27.155 1.00 35.32 ATOM 1314 HD2 PHE 83 5.203 -31.262 28.121 1.00 3.30 ATOM 1315 CE1 PHE 83 6.718 -32.030 24.680 1.00 35.30 ATOM 1316 HE1 PHE 83 7.143 -32.249 23.712 1.00 64.42 ATOM 1317 CE2 PHE 83 5.453 -30.591 26.110 1.00 31.43 ATOM 1318 HE2 PHE 83 4.888 -29.684 26.262 1.00 13.03 ATOM 1319 CZ PHE 83 5.995 -30.868 24.871 1.00 63.51 ATOM 1320 HZ PHE 83 5.874 -30.181 24.057 1.00 12.35 ATOM 1321 C PHE 83 5.000 -35.212 26.977 1.00 63.43 ATOM 1322 O PHE 83 4.153 -34.702 26.243 1.00 74.21 ATOM 1323 N LEU 84 5.640 -36.335 26.670 1.00 63.30 ATOM 1324 HN LEU 84 6.320 -36.693 27.284 1.00 38.61 ATOM 1325 CA LEU 84 5.378 -37.050 25.425 1.00 2.24 ATOM 1326 HA LEU 84 5.286 -36.325 24.625 1.00 62.23 ATOM 1327 CB LEU 84 6.540 -37.990 25.099 1.00 3.54 ATOM 1328 HB1 LEU 84 6.344 -38.458 24.142 1.00 38.61 ATOM 1329 HB2 LEU 84 6.544 -38.770 25.855 1.00 23.14 ATOM 1330 CG LEU 84 7.930 -37.352 25.065 1.00 13.10 ATOM 1331 HG LEU 84 8.002 -36.592 25.822 1.00 41.10 ATOM 1332 CD1 LEU 84 9.002 -38.392 25.352 1.00 15.00 ATOM 1333 HD11 LEU 84 8.756 -39.328 24.870 1.00 54.13 ATOM 1334 HD12 LEU 84 9.067 -38.546 26.410 1.00 52.25 ATOM 1335 HD13 LEU 84 9.965 -38.050 24.995 1.00 70.34 ATOM 1336 CD2 LEU 84 8.177 -36.685 23.720 1.00 65.33 ATOM 1337 HD21 LEU 84 7.500 -37.072 22.976 1.00 71.45 ATOM 1338 HD22 LEU 84 9.193 -36.853 23.395 1.00 33.54 ATOM 1339 HD23 LEU 84 8.012 -35.623 23.823 1.00 52.42 ATOM 1340 C LEU 84 4.078 -37.843 25.516 1.00 2.42 ATOM 1341 O LEU 84 3.425 -38.100 24.505 1.00 13.21 ATOM 1342 N ARG 85 3.708 -38.225 26.734 1.00 63.31 ATOM 1343 HN ARG 85 4.271 -38.002 27.510 1.00 38.61 ATOM 1344 CA ARG 85 2.486 -38.988 26.957 1.00 52.22 ATOM 1345 HA ARG 85 2.467 -39.805 26.243 1.00 32.45 ATOM 1346 CB ARG 85 2.467 -39.559 28.376 1.00 64.33 ATOM 1347 HB1 ARG 85 1.995 -38.853 29.050 1.00 38.61 ATOM 1348 HB2 ARG 85 3.490 -39.701 28.698 1.00 44.25 ATOM 1349 CG ARG 85 1.732 -40.885 28.489 1.00 52.50 ATOM 1350 HG1 ARG 85 1.969 -41.503 27.632 1.00 38.61 ATOM 1351 HG2 ARG 85 0.670 -40.695 28.514 1.00 12.23 ATOM 1352 CD ARG 85 2.126 -41.634 29.752 1.00 33.11 ATOM 1353 HD1 ARG 85 1.468 -42.486 29.841 1.00 38.61 ATOM 1354 HD2 ARG 85 1.993 -40.986 30.609 1.00 41.41 ATOM 1355 NE ARG 85 3.512 -42.092 29.707 1.00 74.52 ATOM 1356 HE ARG 85 4.124 -41.658 29.070 1.00 11.44 ATOM 1357 CZ ARG 85 3.990 -43.063 30.478 1.00 44.35 ATOM 1358 NH1 ARG 85 3.199 -43.674 31.348 1.00 11.32 ATOM 1359 HH11 ARG 85 2.240 -43.424 31.450 1.00 61.42 ATOM 1360 HH12 ARG 85 3.570 -44.408 31.921 1.00 54.24 ATOM 1361 NH2 ARG 85 5.263 -43.424 30.378 1.00 43.22 ATOM 1362 HH21 ARG 85 5.866 -42.966 29.722 1.00 11.44 ATOM 1363 HH22 ARG 85 5.627 -44.156 30.958 1.00 14.22 ATOM 1364 C ARG 85 1.253 -38.117 26.732 1.00 42.14 ATOM 1365 O ARG 85 0.275 -38.553 26.127 1.00 15.10 ATOM 1366 N GLY 86 1.309 -36.883 27.223 1.00 11.34 ATOM 1367 HN GLY 86 2.106 -36.578 27.710 1.00 38.61 ATOM 1368 CA GLY 86 0.191 -35.971 27.066 1.00 1.43 ATOM 1369 HA1 GLY 86 0.346 -35.120 27.699 1.00 38.61 ATOM 1370 HA2 GLY 86 -0.721 -36.466 27.376 1.00 71.22 ATOM 1371 C GLY 86 0.026 -35.497 25.636 1.00 51.10 ATOM 1372 O GLY 86 -1.061 -35.595 25.064 1.00 4.43 ATOM 1373 N CYS 87 1.104 -34.981 25.057 1.00 24.21 ATOM 1374 HN CYS 87 1.947 -34.928 25.569 1.00 38.61 ATOM 1375 CA CYS 87 1.074 -34.488 23.685 1.00 54.23 ATOM 1376 HA CYS 87 0.386 -33.653 23.645 1.00 15.40 ATOM 1377 CB CYS 87 2.465 -34.019 23.258 1.00 64.42 ATOM 1378 HB1 CYS 87 2.516 -33.958 22.180 1.00 38.61 ATOM 1379 HB2 CYS 87 3.200 -34.731 23.603 1.00 52.14 ATOM 1380 SG CYS 87 2.931 -32.398 23.910 1.00 61.51 ATOM 1381 HG CYS 87 1.857 -31.625 23.880 1.00 24.10 ATOM 1382 C CYS 87 0.572 -35.566 22.730 1.00 33.43 ATOM 1383 O CYS 87 -0.205 -35.289 21.817 1.00 65.40 ATOM 1384 N GLY 88 1.022 -36.798 22.948 1.00 64.41 ATOM 1385 HN GLY 88 1.652 -36.975 23.682 1.00 38.61 ATOM 1386 CA GLY 88 0.610 -37.900 22.098 1.00 70.01 ATOM 1387 HA1 GLY 88 1.369 -38.667 22.141 1.00 38.61 ATOM 1388 HA2 GLY 88 0.522 -37.560 21.074 1.00 32.31 ATOM 1389 C GLY 88 -0.710 -38.506 22.533 1.00 3.42 ATOM 1390 O GLY 88 -1.204 -39.446 21.912 1.00 43.12 ATOM 1391 N ALA 89 -1.281 -37.967 23.605 1.00 13.32 ATOM 1392 HN ALA 89 -0.860 -37.235 24.068 1.00 38.61 ATOM 1393 CA ALA 89 -2.552 -38.460 24.123 1.00 44.23 ATOM 1394 HA ALA 89 -2.657 -39.508 23.864 1.00 3.52 ATOM 1395 CB ALA 89 -2.577 -38.360 25.641 1.00 72.52 ATOM 1396 HB1 ALA 89 -2.176 -37.415 25.958 1.00 51.42 ATOM 1397 HB2 ALA 89 -1.988 -39.159 26.059 1.00 15.13 ATOM 1398 HB3 ALA 89 -3.594 -38.455 26.002 1.00 5.22 ATOM 1399 C ALA 89 -3.724 -37.693 23.521 1.00 73.24 ATOM 1400 O ALA 89 -4.673 -38.290 23.012 1.00 32.44 ATOM 1401 N SER 90 -3.653 -36.367 23.582 1.00 63.40 ATOM 1402 HN SER 90 -2.860 -35.941 23.987 1.00 38.61 ATOM 1403 CA SER 90 -4.711 -35.519 23.047 1.00 71.14 ATOM 1404 HA SER 90 -5.642 -36.073 23.047 1.00 3.03 ATOM 1405 CB SER 90 -4.892 -34.279 23.924 1.00 54.23 ATOM 1406 HB1 SER 90 -3.952 -33.754 24.008 1.00 38.61 ATOM 1407 HB2 SER 90 -5.220 -34.584 24.907 1.00 34.45 ATOM 1408 OG SER 90 -5.862 -33.403 23.375 1.00 73.51 ATOM 1409 HG SER 90 -5.443 -32.803 22.753 1.00 1.30 ATOM 1410 C SER 90 -4.399 -35.101 21.613 1.00 52.11 ATOM 1411 O SER 90 -5.116 -35.461 20.678 1.00 32.45 ATOM 1412 N LEU 91 -3.325 -34.338 21.447 1.00 45.13 ATOM 1413 HN LEU 91 -2.776 -34.096 22.230 1.00 38.61 ATOM 1414 CA LEU 91 -2.916 -33.869 20.127 1.00 23.20 ATOM 1415 HA LEU 91 -3.745 -33.326 19.692 1.00 64.51 ATOM 1416 CB LEU 91 -1.710 -32.936 20.247 1.00 65.13 ATOM 1417 HB1 LEU 91 -1.158 -32.971 19.317 1.00 38.61 ATOM 1418 HB2 LEU 91 -1.074 -33.312 21.030 1.00 64.00 ATOM 1419 CG LEU 91 -2.022 -31.470 20.550 1.00 74.34 ATOM 1420 HG LEU 91 -2.733 -31.419 21.363 1.00 30.23 ATOM 1421 CD1 LEU 91 -0.764 -30.735 20.984 1.00 51.45 ATOM 1422 HD11 LEU 91 -0.030 -30.767 20.203 1.00 52.54 ATOM 1423 HD12 LEU 91 -0.361 -31.203 21.871 1.00 1.51 ATOM 1424 HD13 LEU 91 -1.006 -29.705 21.207 1.00 71.45 ATOM 1425 CD2 LEU 91 -2.645 -30.796 19.336 1.00 41.12 ATOM 1426 HD21 LEU 91 -2.768 -29.739 19.519 1.00 55.03 ATOM 1427 HD22 LEU 91 -3.612 -31.234 19.143 1.00 51.32 ATOM 1428 HD23 LEU 91 -2.011 -30.947 18.478 1.00 40.40 ATOM 1429 C LEU 91 -2.577 -35.043 19.213 1.00 5.44 ATOM 1430 O LEU 91 -2.853 -35.008 18.014 1.00 23.32 ATOM 1431 N ARG 92 -1.978 -36.080 19.789 1.00 34.51 ATOM 1432 HN ARG 92 -1.760 -36.058 20.747 1.00 38.61 ATOM 1433 CA ARG 92 -1.603 -37.265 19.027 1.00 63.12 ATOM 1434 HA ARG 92 -1.118 -37.940 19.710 1.00 31.14 ATOM 1435 CB ARG 92 -2.845 -37.930 18.432 1.00 73.03 ATOM 1436 HB1 ARG 92 -3.164 -37.386 17.553 1.00 38.61 ATOM 1437 HB2 ARG 92 -3.643 -37.898 19.163 1.00 31.12 ATOM 1438 CG ARG 92 -2.628 -39.381 18.034 1.00 52.22 ATOM 1439 HG1 ARG 92 -1.831 -39.443 17.311 1.00 38.61 ATOM 1440 HG2 ARG 92 -3.539 -39.754 17.590 1.00 0.11 ATOM 1441 CD ARG 92 -2.287 -40.244 19.238 1.00 5.35 ATOM 1442 HD1 ARG 92 -2.793 -41.189 19.103 1.00 38.61 ATOM 1443 HD2 ARG 92 -2.651 -39.777 20.141 1.00 72.22 ATOM 1444 NE ARG 92 -0.850 -40.483 19.351 1.00 52.23 ATOM 1445 HE ARG 92 -0.242 -39.859 18.890 1.00 34.33 ATOM 1446 CZ ARG 92 -0.324 -41.487 20.043 1.00 73.32 ATOM 1447 NH1 ARG 92 -1.113 -42.342 20.680 1.00 5.33 ATOM 1448 HH11 ARG 92 -2.105 -42.254 20.661 1.00 53.51 ATOM 1449 HH12 ARG 92 -0.705 -43.098 21.196 1.00 60.02 ATOM 1450 NH2 ARG 92 0.993 -41.639 20.098 1.00 52.14 ATOM 1451 HH21 ARG 92 1.595 -40.997 19.618 1.00 2.11 ATOM 1452 HH22 ARG 92 1.392 -42.396 20.620 1.00 54.13 ATOM 1453 C ARG 92 -0.622 -36.907 17.914 1.00 60.10 ATOM 1454 O ARG 92 -0.641 -37.507 16.838 1.00 12.41 ATOM 1455 N LEU 93 0.234 -35.926 18.180 1.00 73.43 ATOM 1456 HN LEU 93 0.234 -35.508 19.068 1.00 38.61 ATOM 1457 CA LEU 93 1.222 -35.487 17.201 1.00 64.51 ATOM 1458 HA LEU 93 0.802 -35.598 16.208 1.00 34.01 ATOM 1459 CB LEU 93 1.564 -34.012 17.418 1.00 70.30 ATOM 1460 HB1 LEU 93 0.632 -33.462 17.443 1.00 38.61 ATOM 1461 HB2 LEU 93 2.114 -33.677 16.548 1.00 64.22 ATOM 1462 CG LEU 93 2.368 -33.688 18.677 1.00 5.12 ATOM 1463 HG LEU 93 2.798 -34.586 19.097 1.00 70.54 ATOM 1464 CD1 LEU 93 3.521 -32.751 18.348 1.00 35.32 ATOM 1465 HD11 LEU 93 4.097 -33.148 17.522 1.00 54.30 ATOM 1466 HD12 LEU 93 4.160 -32.656 19.214 1.00 4.33 ATOM 1467 HD13 LEU 93 3.134 -31.780 18.085 1.00 24.11 ATOM 1468 CD2 LEU 93 1.469 -33.077 19.742 1.00 42.31 ATOM 1469 HD21 LEU 93 2.070 -32.661 20.539 1.00 61.23 ATOM 1470 HD22 LEU 93 0.832 -33.838 20.146 1.00 23.44 ATOM 1471 HD23 LEU 93 0.871 -32.296 19.304 1.00 42.14 ATOM 1472 C LEU 93 2.489 -36.333 17.289 1.00 11.15 ATOM 1473 O LEU 93 2.549 -37.299 18.049 1.00 22.01 ATOM 1474 N GLU 94 3.499 -35.960 16.509 1.00 32.43 ATOM 1475 HN GLU 94 3.368 -35.214 15.887 1.00 38.61 ATOM 1476 CA GLU 94 4.764 -36.684 16.501 1.00 25.55 ATOM 1477 HA GLU 94 4.546 -37.734 16.338 1.00 10.13 ATOM 1478 CB GLU 94 5.653 -36.191 15.357 1.00 33.14 ATOM 1479 HB1 GLU 94 5.175 -36.440 14.420 1.00 38.61 ATOM 1480 HB2 GLU 94 6.609 -36.698 15.405 1.00 33.12 ATOM 1481 CG GLU 94 5.897 -34.692 15.380 1.00 42.33 ATOM 1482 HG1 GLU 94 6.344 -34.419 16.321 1.00 38.61 ATOM 1483 HG2 GLU 94 4.959 -34.177 15.266 1.00 11.20 ATOM 1484 CD GLU 94 6.824 -34.235 14.270 1.00 60.12 ATOM 1485 OE1 GLU 94 6.667 -33.088 13.801 1.00 70.21 ATOM 1486 OE2 GLU 94 7.706 -35.024 13.870 1.00 15.11 ATOM 1487 C GLU 94 5.493 -36.521 17.832 1.00 10.04 ATOM 1488 O GLU 94 5.625 -35.411 18.350 1.00 75.13 ATOM 1489 N THR 95 5.965 -37.635 18.383 1.00 71.31 ATOM 1490 HN THR 95 5.835 -38.499 17.931 1.00 38.61 ATOM 1491 CA THR 95 6.678 -37.617 19.654 1.00 63.34 ATOM 1492 HA THR 95 6.748 -36.597 20.018 1.00 21.53 ATOM 1493 CB THR 95 5.945 -38.450 20.722 1.00 73.55 ATOM 1494 HB THR 95 6.526 -38.445 21.634 1.00 42.54 ATOM 1495 OG1 THR 95 5.797 -39.802 20.272 1.00 23.14 ATOM 1496 HG1 THR 95 5.709 -40.387 21.029 1.00 31.24 ATOM 1497 CG2 THR 95 4.576 -37.859 21.024 1.00 42.15 ATOM 1498 HG21 THR 95 3.978 -37.849 20.124 1.00 62.20 ATOM 1499 HG22 THR 95 4.690 -36.849 21.392 1.00 73.03 ATOM 1500 HG23 THR 95 4.084 -38.460 21.774 1.00 62.02 ATOM 1501 C THR 95 8.097 -38.151 19.495 1.00 23.21 ATOM 1502 O THR 95 8.456 -38.688 18.447 1.00 73.41 ATOM 1503 N PHE 96 8.901 -38.001 20.542 1.00 5.13 ATOM 1504 HN PHE 96 8.568 -37.563 21.338 1.00 38.61 ATOM 1505 CA PHE 96 10.283 -38.468 20.519 1.00 74.11 ATOM 1506 HA PHE 96 10.414 -39.160 19.696 1.00 62.14 ATOM 1507 CB PHE 96 11.239 -37.290 20.321 1.00 74.02 ATOM 1508 HB1 PHE 96 10.998 -36.812 19.382 1.00 38.61 ATOM 1509 HB2 PHE 96 12.254 -37.653 20.269 1.00 23.21 ATOM 1510 CG PHE 96 11.145 -36.253 21.403 1.00 34.14 ATOM 1511 CD1 PHE 96 10.116 -35.325 21.405 1.00 71.13 ATOM 1512 HD1 PHE 96 9.374 -35.349 20.619 1.00 63.43 ATOM 1513 CD2 PHE 96 12.085 -36.206 22.420 1.00 65.34 ATOM 1514 HD2 PHE 96 12.885 -36.917 22.438 1.00 63.43 ATOM 1515 CE1 PHE 96 10.026 -34.370 22.400 1.00 42.23 ATOM 1516 HE1 PHE 96 9.219 -33.652 22.389 1.00 25.02 ATOM 1517 CE2 PHE 96 12.001 -35.254 23.417 1.00 13.33 ATOM 1518 HE2 PHE 96 12.720 -35.240 24.198 1.00 34.35 ATOM 1519 CZ PHE 96 10.971 -34.334 23.407 1.00 53.42 ATOM 1520 HZ PHE 96 10.904 -33.589 24.186 1.00 1.43 ATOM 1521 C PHE 96 10.629 -39.207 21.808 1.00 33.23 ATOM 1522 O PHE 96 9.798 -39.330 22.708 1.00 34.02 ATOM 1523 N ASP 97 11.860 -39.698 21.889 1.00 5.23 ATOM 1524 HN ASP 97 12.486 -39.577 21.138 1.00 38.61 ATOM 1525 CA ASP 97 12.318 -40.425 23.068 1.00 40.41 ATOM 1526 HA ASP 97 11.449 -40.763 23.628 1.00 73.02 ATOM 1527 CB ASP 97 13.138 -41.647 22.653 1.00 72.30 ATOM 1528 HB1 ASP 97 13.861 -41.879 23.415 1.00 38.61 ATOM 1529 HB2 ASP 97 13.660 -41.434 21.731 1.00 34.01 ATOM 1530 CG ASP 97 12.276 -42.875 22.435 1.00 71.32 ATOM 1531 OD1 ASP 97 11.746 -43.036 21.316 1.00 72.32 ATOM 1532 OD2 ASP 97 12.131 -43.675 23.383 1.00 13.13 ATOM 1533 C ASP 97 13.150 -39.522 23.974 1.00 62.33 ATOM 1534 O ASP 97 14.001 -38.768 23.503 1.00 71.14 ATOM 1535 N ALA 98 12.898 -39.605 25.276 1.00 52.21 ATOM 1536 HN ALA 98 12.202 -40.229 25.595 1.00 38.61 ATOM 1537 CA ALA 98 13.624 -38.797 26.248 1.00 41.35 ATOM 1538 HA ALA 98 13.399 -37.762 26.058 1.00 74.43 ATOM 1539 CB ALA 98 13.167 -39.132 27.660 1.00 43.04 ATOM 1540 HB1 ALA 98 13.633 -38.456 28.362 1.00 53.40 ATOM 1541 HB2 ALA 98 13.442 -40.150 27.902 1.00 12.04 ATOM 1542 HB3 ALA 98 12.094 -39.029 27.722 1.00 41.50 ATOM 1543 C ALA 98 15.130 -38.999 26.114 1.00 34.43 ATOM 1544 O ALA 98 15.917 -38.132 26.488 1.00 5.13 ATOM 1545 N ASN 99 15.522 -40.151 25.580 1.00 71.33 ATOM 1546 HN ASN 99 14.858 -40.826 25.337 1.00 38.61 ATOM 1547 CA ASN 99 16.934 -40.468 25.399 1.00 71.24 ATOM 1548 HA ASN 99 17.426 -40.381 26.359 1.00 40.01 ATOM 1549 CB ASN 99 17.095 -41.902 24.890 1.00 71.14 ATOM 1550 HB1 ASN 99 18.149 -42.128 24.792 1.00 38.61 ATOM 1551 HB2 ASN 99 16.623 -41.995 23.921 1.00 72.10 ATOM 1552 CG ASN 99 16.480 -42.922 25.829 1.00 4.42 ATOM 1553 OD1 ASN 99 17.111 -43.352 26.795 1.00 64.14 ATOM 1554 ND2 ASN 99 15.243 -43.313 25.550 1.00 55.13 ATOM 1555 HD21 ASN 99 14.791 -42.942 24.770 1.00 61.51 ATOM 1556 HD22 ASN 99 14.827 -43.969 26.148 1.00 11.31 ATOM 1557 C ASN 99 17.589 -39.494 24.424 1.00 24.23 ATOM 1558 O ASN 99 18.536 -38.790 24.777 1.00 72.22 ATOM 1559 N ASP 100 17.079 -39.459 23.198 1.00 22.43 ATOM 1560 HN ASP 100 16.318 -40.047 22.977 1.00 38.61 ATOM 1561 CA ASP 100 17.613 -38.571 22.173 1.00 43.22 ATOM 1562 HA ASP 100 18.613 -38.902 21.934 1.00 72.03 ATOM 1563 CB ASP 100 16.753 -38.639 20.910 1.00 61.10 ATOM 1564 HB1 ASP 100 16.275 -39.607 20.845 1.00 38.61 ATOM 1565 HB2 ASP 100 17.382 -38.508 20.056 1.00 54.52 ATOM 1566 CG ASP 100 15.678 -37.571 20.883 1.00 10.33 ATOM 1567 OD1 ASP 100 14.502 -37.907 21.135 1.00 0.51 ATOM 1568 OD2 ASP 100 16.012 -36.399 20.610 1.00 43.33 ATOM 1569 C ASP 100 17.680 -37.134 22.680 1.00 5.33 ATOM 1570 O ASP 100 18.528 -36.351 22.249 1.00 11.41 ATOM 1571 N LEU 101 16.782 -36.793 23.597 1.00 33.13 ATOM 1572 HN LEU 101 16.094 -37.437 23.878 1.00 38.61 ATOM 1573 CA LEU 101 16.738 -35.449 24.163 1.00 32.34 ATOM 1574 HA LEU 101 16.960 -34.736 23.378 1.00 24.40 ATOM 1575 CB LEU 101 15.340 -35.150 24.709 1.00 44.10 ATOM 1576 HB1 LEU 101 14.979 -36.029 25.227 1.00 38.61 ATOM 1577 HB2 LEU 101 14.704 -34.967 23.858 1.00 20.31 ATOM 1578 CG LEU 101 15.232 -33.955 25.657 1.00 32.54 ATOM 1579 HG LEU 101 15.767 -34.170 26.571 1.00 31.14 ATOM 1580 CD1 LEU 101 15.851 -32.717 25.029 1.00 4.10 ATOM 1581 HD11 LEU 101 15.340 -32.488 24.108 1.00 43.12 ATOM 1582 HD12 LEU 101 16.888 -32.859 24.824 1.00 1.32 ATOM 1583 HD13 LEU 101 15.742 -31.880 25.704 1.00 72.25 ATOM 1584 CD2 LEU 101 13.778 -33.698 26.027 1.00 62.03 ATOM 1585 HD21 LEU 101 13.730 -33.113 26.922 1.00 15.12 ATOM 1586 HD22 LEU 101 13.277 -34.622 26.187 1.00 72.24 ATOM 1587 HD23 LEU 101 13.280 -33.165 25.227 1.00 25.43 ATOM 1588 C LEU 101 17.774 -35.291 25.272 1.00 75.30 ATOM 1589 O LEU 101 18.404 -34.242 25.401 1.00 3.11 ATOM 1590 N TYR 102 17.945 -36.341 26.068 1.00 11.31 ATOM 1591 HN TYR 102 17.409 -37.156 25.923 1.00 38.61 ATOM 1592 CA TYR 102 18.904 -36.319 27.166 1.00 42.41 ATOM 1593 HA TYR 102 18.769 -35.387 27.697 1.00 72.44 ATOM 1594 CB TYR 102 18.657 -37.495 28.111 1.00 34.41 ATOM 1595 HB1 TYR 102 19.154 -38.385 27.742 1.00 38.61 ATOM 1596 HB2 TYR 102 17.599 -37.678 28.146 1.00 64.15 ATOM 1597 CG TYR 102 19.105 -37.236 29.532 1.00 62.05 ATOM 1598 CD1 TYR 102 18.691 -36.099 30.215 1.00 61.12 ATOM 1599 HD1 TYR 102 18.034 -35.397 29.723 1.00 73.52 ATOM 1600 CD2 TYR 102 19.944 -38.127 30.190 1.00 14.10 ATOM 1601 HD2 TYR 102 20.278 -39.017 29.675 1.00 11.44 ATOM 1602 CE1 TYR 102 19.099 -35.857 31.512 1.00 31.44 ATOM 1603 HE1 TYR 102 18.766 -34.967 32.026 1.00 23.13 ATOM 1604 CE2 TYR 102 20.355 -37.894 31.488 1.00 62.10 ATOM 1605 HE2 TYR 102 21.012 -38.591 31.973 1.00 13.12 ATOM 1606 CZ TYR 102 19.930 -36.758 32.145 1.00 64.02 ATOM 1607 OH TYR 102 20.339 -36.522 33.437 1.00 3.23 ATOM 1608 HH TYR 102 21.264 -36.256 33.444 1.00 74.10 ATOM 1609 C TYR 102 20.335 -36.367 26.640 1.00 45.22 ATOM 1610 O TYR 102 21.141 -35.480 26.920 1.00 11.43 ATOM 1611 N GLN 103 20.643 -37.409 25.875 1.00 20.40 ATOM 1612 HN GLN 103 19.951 -38.084 25.678 1.00 38.61 ATOM 1613 CA GLN 103 21.977 -37.574 25.309 1.00 33.12 ATOM 1614 HA GLN 103 22.706 -37.342 26.077 1.00 11.02 ATOM 1615 CB GLN 103 22.187 -39.020 24.857 1.00 72.13 ATOM 1616 HB1 GLN 103 23.160 -39.111 24.387 1.00 38.61 ATOM 1617 HB2 GLN 103 21.426 -39.265 24.128 1.00 24.13 ATOM 1618 CG GLN 103 22.091 -40.031 25.988 1.00 64.43 ATOM 1619 HG1 GLN 103 21.738 -40.964 25.573 1.00 38.61 ATOM 1620 HG2 GLN 103 21.379 -39.689 26.728 1.00 43.24 ATOM 1621 CD GLN 103 23.428 -40.289 26.655 1.00 42.22 ATOM 1622 OE1 GLN 103 24.363 -40.787 26.027 1.00 74.52 ATOM 1623 NE2 GLN 103 23.527 -39.949 27.935 1.00 54.13 ATOM 1624 HE21 GLN 103 22.750 -39.553 28.390 1.00 64.51 ATOM 1625 HE22 GLN 103 24.384 -40.109 28.382 1.00 52.22 ATOM 1626 C GLN 103 22.191 -36.625 24.135 1.00 73.25 ATOM 1627 O GLN 103 23.324 -36.359 23.737 1.00 1.44 ATOM 1628 N GLY 104 21.093 -36.118 23.582 1.00 13.10 ATOM 1629 HN GLY 104 20.204 -36.372 23.905 1.00 38.61 ATOM 1630 CA GLY 104 21.182 -35.205 22.458 1.00 40.42 ATOM 1631 HA1 GLY 104 21.874 -34.409 22.702 1.00 38.61 ATOM 1632 HA2 GLY 104 20.214 -34.768 22.278 1.00 44.00 ATOM 1633 C GLY 104 21.659 -35.888 21.192 1.00 71.32 ATOM 1634 O GLY 104 22.575 -35.406 20.527 1.00 63.33 ATOM 1635 N GLN 105 21.037 -37.015 20.859 1.00 1.03 ATOM 1636 HN GLN 105 20.296 -37.345 21.422 1.00 38.61 ATOM 1637 CA GLN 105 21.406 -37.767 19.666 1.00 52.13 ATOM 1638 HA GLN 105 22.454 -37.592 19.450 1.00 2.41 ATOM 1639 CB GLN 105 21.209 -39.266 19.900 1.00 12.52 ATOM 1640 HB1 GLN 105 21.508 -39.807 19.012 1.00 38.61 ATOM 1641 HB2 GLN 105 20.156 -39.450 20.078 1.00 22.14 ATOM 1642 CG GLN 105 21.977 -39.800 21.098 1.00 64.21 ATOM 1643 HG1 GLN 105 21.399 -40.599 21.538 1.00 38.61 ATOM 1644 HG2 GLN 105 22.109 -39.019 21.835 1.00 73.21 ATOM 1645 CD GLN 105 23.336 -40.356 20.719 1.00 73.34 ATOM 1646 OE1 GLN 105 23.494 -40.976 19.666 1.00 11.03 ATOM 1647 NE2 GLN 105 24.326 -40.137 21.576 1.00 33.41 ATOM 1648 HE21 GLN 105 24.143 -39.635 22.403 1.00 13.13 ATOM 1649 HE22 GLN 105 25.212 -40.489 21.348 1.00 72.44 ATOM 1650 C GLN 105 20.584 -37.316 18.463 1.00 72.02 ATOM 1651 O GLN 105 21.122 -37.092 17.380 1.00 45.42 ATOM 1652 N ASN 106 19.276 -37.186 18.661 1.00 1.12 ATOM 1653 HN ASN 106 18.899 -37.367 19.547 1.00 38.61 ATOM 1654 CA ASN 106 18.379 -36.763 17.592 1.00 42.42 ATOM 1655 HA ASN 106 18.964 -36.440 16.739 1.00 60.11 ATOM 1656 CB ASN 106 17.467 -37.918 17.176 1.00 34.10 ATOM 1657 HB1 ASN 106 16.553 -37.534 16.763 1.00 38.61 ATOM 1658 HB2 ASN 106 17.235 -38.530 18.028 1.00 60.23 ATOM 1659 CG ASN 106 18.098 -38.801 16.116 1.00 15.34 ATOM 1660 OD1 ASN 106 19.139 -38.465 15.552 1.00 11.52 ATOM 1661 ND2 ASN 106 17.468 -39.937 15.841 1.00 55.31 ATOM 1662 HD21 ASN 106 16.646 -40.160 16.324 1.00 64.32 ATOM 1663 HD22 ASN 106 17.858 -40.517 15.154 1.00 11.53 ATOM 1664 C ASN 106 17.538 -35.567 18.029 1.00 72.32 ATOM 1665 O ASN 106 16.315 -35.661 18.135 1.00 32.05 ATOM 1666 N PHE 107 18.202 -34.444 18.280 1.00 55.32 ATOM 1667 HN PHE 107 19.184 -34.431 18.177 1.00 38.61 ATOM 1668 CA PHE 107 17.515 -33.229 18.706 1.00 65.35 ATOM 1669 HA PHE 107 17.047 -33.426 19.660 1.00 3.02 ATOM 1670 CB PHE 107 18.517 -32.085 18.873 1.00 12.42 ATOM 1671 HB1 PHE 107 19.042 -31.938 17.937 1.00 38.61 ATOM 1672 HB2 PHE 107 19.231 -32.358 19.637 1.00 10.11 ATOM 1673 CG PHE 107 17.881 -30.787 19.283 1.00 53.05 ATOM 1674 CD1 PHE 107 17.192 -30.685 20.481 1.00 65.13 ATOM 1675 HD1 PHE 107 17.114 -31.549 21.127 1.00 20.14 ATOM 1676 CD2 PHE 107 17.971 -29.669 18.469 1.00 73.13 ATOM 1677 HD2 PHE 107 18.505 -29.732 17.531 1.00 3.31 ATOM 1678 CE1 PHE 107 16.606 -29.492 20.861 1.00 63.35 ATOM 1679 HE1 PHE 107 16.071 -29.426 21.797 1.00 62.11 ATOM 1680 CE2 PHE 107 17.387 -28.474 18.843 1.00 0.25 ATOM 1681 HE2 PHE 107 17.462 -27.614 18.198 1.00 13.12 ATOM 1682 CZ PHE 107 16.703 -28.386 20.040 1.00 11.52 ATOM 1683 HZ PHE 107 16.239 -27.463 20.322 1.00 3.43 ATOM 1684 C PHE 107 16.437 -32.834 17.701 1.00 11.53 ATOM 1685 O PHE 107 15.445 -32.200 18.058 1.00 52.52 ATOM 1686 N ASN 108 16.640 -33.212 16.444 1.00 61.43 ATOM 1687 HN ASN 108 17.477 -33.666 16.195 1.00 38.61 ATOM 1688 CA ASN 108 15.686 -32.897 15.387 1.00 42.53 ATOM 1689 HA ASN 108 15.693 -31.827 15.241 1.00 53.35 ATOM 1690 CB ASN 108 16.097 -33.578 14.080 1.00 44.42 ATOM 1691 HB1 ASN 108 17.112 -33.293 13.837 1.00 38.61 ATOM 1692 HB2 ASN 108 15.439 -33.249 13.287 1.00 31.44 ATOM 1693 CG ASN 108 16.021 -35.090 14.167 1.00 53.32 ATOM 1694 OD1 ASN 108 14.959 -35.681 13.968 1.00 44.03 ATOM 1695 ND2 ASN 108 17.149 -35.723 14.466 1.00 50.12 ATOM 1696 HD21 ASN 108 17.968 -35.198 14.615 1.00 55.24 ATOM 1697 HD22 ASN 108 17.120 -36.701 14.527 1.00 40.31 ATOM 1698 C ASN 108 14.277 -33.331 15.778 1.00 10.20 ATOM 1699 O ASN 108 13.304 -32.620 15.527 1.00 53.21 ATOM 1700 N LYS 109 14.175 -34.503 16.395 1.00 21.03 ATOM 1701 HN LYS 109 14.993 -34.996 16.625 1.00 38.61 ATOM 1702 CA LYS 109 12.886 -35.033 16.824 1.00 22.01 ATOM 1703 HA LYS 109 12.228 -35.059 15.965 1.00 12.34 ATOM 1704 CB LYS 109 13.050 -36.457 17.361 1.00 2.43 ATOM 1705 HB1 LYS 109 12.071 -36.880 17.525 1.00 38.61 ATOM 1706 HB2 LYS 109 13.582 -36.419 18.305 1.00 63.23 ATOM 1707 CG LYS 109 13.809 -37.378 16.422 1.00 50.34 ATOM 1708 HG1 LYS 109 14.743 -36.924 16.150 1.00 38.61 ATOM 1709 HG2 LYS 109 13.220 -37.523 15.527 1.00 51.42 ATOM 1710 CD LYS 109 14.096 -38.722 17.069 1.00 14.14 ATOM 1711 HD1 LYS 109 14.218 -38.601 18.139 1.00 38.61 ATOM 1712 HD2 LYS 109 15.005 -39.108 16.651 1.00 75.12 ATOM 1713 CE LYS 109 12.980 -39.720 16.800 1.00 14.31 ATOM 1714 HE1 LYS 109 13.173 -40.208 15.856 1.00 38.61 ATOM 1715 HE2 LYS 109 12.031 -39.201 16.749 1.00 14.24 ATOM 1716 NZ LYS 109 12.892 -40.755 17.867 1.00 54.20 ATOM 1717 HZ1 LYS 109 12.702 -40.309 18.789 1.00 24.40 ATOM 1718 HZ2 LYS 109 13.784 -41.289 17.929 1.00 74.44 ATOM 1719 HZ3 LYS 109 12.121 -41.420 17.653 1.00 2.31 ATOM 1720 C LYS 109 12.261 -34.144 17.894 1.00 52.42 ATOM 1721 O LYS 109 11.046 -33.943 17.916 1.00 4.23 ATOM 1722 N VAL 110 13.098 -33.612 18.779 1.00 42.44 ATOM 1723 HN VAL 110 14.059 -33.793 18.697 1.00 38.61 ATOM 1724 CA VAL 110 12.628 -32.741 19.849 1.00 35.24 ATOM 1725 HA VAL 110 11.832 -33.256 20.376 1.00 44.51 ATOM 1726 CB VAL 110 13.752 -32.431 20.856 1.00 73.04 ATOM 1727 HB VAL 110 14.489 -31.801 20.373 1.00 74.41 ATOM 1728 CG1 VAL 110 13.200 -31.680 22.058 1.00 21.41 ATOM 1729 HG11 VAL 110 13.994 -31.497 22.766 1.00 71.03 ATOM 1730 HG12 VAL 110 12.430 -32.263 22.531 1.00 40.53 ATOM 1731 HG13 VAL 110 12.789 -30.733 21.744 1.00 74.42 ATOM 1732 CG2 VAL 110 14.446 -33.713 21.290 1.00 43.14 ATOM 1733 HG21 VAL 110 13.723 -34.468 21.503 1.00 73.44 ATOM 1734 HG22 VAL 110 15.043 -33.531 22.174 1.00 22.13 ATOM 1735 HG23 VAL 110 15.094 -34.055 20.498 1.00 53.42 ATOM 1736 C VAL 110 12.083 -31.431 19.293 1.00 54.41 ATOM 1737 O VAL 110 10.956 -31.036 19.595 1.00 55.01 ATOM 1738 N LEU 111 12.889 -30.760 18.478 1.00 1.31 ATOM 1739 HN LEU 111 13.783 -31.129 18.277 1.00 38.61 ATOM 1740 CA LEU 111 12.488 -29.492 17.877 1.00 21.15 ATOM 1741 HA LEU 111 12.393 -28.770 18.673 1.00 34.14 ATOM 1742 CB LEU 111 13.547 -29.021 16.879 1.00 12.41 ATOM 1743 HB1 LEU 111 13.319 -29.443 15.906 1.00 38.61 ATOM 1744 HB2 LEU 111 14.508 -29.418 17.188 1.00 13.42 ATOM 1745 CG LEU 111 13.695 -27.507 16.723 1.00 53.24 ATOM 1746 HG LEU 111 12.717 -27.067 16.590 1.00 15.50 ATOM 1747 CD1 LEU 111 14.316 -26.899 17.971 1.00 74.31 ATOM 1748 HD11 LEU 111 15.384 -27.013 17.946 1.00 51.11 ATOM 1749 HD12 LEU 111 13.930 -27.373 18.861 1.00 32.34 ATOM 1750 HD13 LEU 111 14.075 -25.857 18.005 1.00 12.24 ATOM 1751 CD2 LEU 111 14.530 -27.177 15.494 1.00 3.34 ATOM 1752 HD21 LEU 111 14.014 -27.514 14.607 1.00 52.33 ATOM 1753 HD22 LEU 111 15.490 -27.671 15.562 1.00 71.01 ATOM 1754 HD23 LEU 111 14.684 -26.109 15.435 1.00 11.12 ATOM 1755 C LEU 111 11.138 -29.623 17.180 1.00 33.13 ATOM 1756 O LEU 111 10.205 -28.873 17.467 1.00 74.11 ATOM 1757 N SER 112 11.041 -30.582 16.265 1.00 54.01 ATOM 1758 HN SER 112 11.826 -31.153 16.080 1.00 38.61 ATOM 1759 CA SER 112 9.805 -30.811 15.525 1.00 12.55 ATOM 1760 HA SER 112 9.601 -29.929 14.934 1.00 73.12 ATOM 1761 CB SER 112 9.961 -32.010 14.588 1.00 12.41 ATOM 1762 HB1 SER 112 9.720 -32.930 15.107 1.00 38.61 ATOM 1763 HB2 SER 112 10.983 -32.060 14.237 1.00 43.22 ATOM 1764 OG SER 112 9.114 -31.887 13.459 1.00 71.45 ATOM 1765 HG SER 112 9.266 -32.624 12.862 1.00 3.31 ATOM 1766 C SER 112 8.637 -31.044 16.479 1.00 73.33 ATOM 1767 O SER 112 7.507 -30.638 16.205 1.00 3.15 ATOM 1768 N SER 113 8.918 -31.702 17.599 1.00 73.42 ATOM 1769 HN SER 113 9.838 -32.016 17.763 1.00 38.61 ATOM 1770 CA SER 113 7.891 -31.995 18.592 1.00 53.41 ATOM 1771 HA SER 113 7.092 -32.536 18.103 1.00 62.12 ATOM 1772 CB SER 113 8.465 -32.870 19.708 1.00 52.51 ATOM 1773 HB1 SER 113 8.987 -32.261 20.435 1.00 38.61 ATOM 1774 HB2 SER 113 9.152 -33.583 19.286 1.00 22.11 ATOM 1775 OG SER 113 7.440 -33.592 20.368 1.00 13.31 ATOM 1776 HG SER 113 7.005 -33.023 21.008 1.00 32.42 ATOM 1777 C SER 113 7.323 -30.707 19.181 1.00 53.11 ATOM 1778 O SER 113 6.115 -30.586 19.390 1.00 52.44 ATOM 1779 N LEU 114 8.202 -29.747 19.447 1.00 21.51 ATOM 1780 HN LEU 114 9.159 -29.897 19.259 1.00 38.61 ATOM 1781 CA LEU 114 7.790 -28.467 20.012 1.00 21.34 ATOM 1782 HA LEU 114 7.071 -28.654 20.800 1.00 61.31 ATOM 1783 CB LEU 114 8.995 -27.740 20.611 1.00 24.34 ATOM 1784 HB1 LEU 114 8.634 -26.866 21.129 1.00 38.61 ATOM 1785 HB2 LEU 114 9.634 -27.414 19.798 1.00 63.52 ATOM 1786 CG LEU 114 9.855 -28.552 21.581 1.00 61.12 ATOM 1787 HG LEU 114 10.332 -29.350 21.047 1.00 34.22 ATOM 1788 CD1 LEU 114 10.945 -27.681 22.185 1.00 22.05 ATOM 1789 HD11 LEU 114 10.500 -26.836 22.694 1.00 33.40 ATOM 1790 HD12 LEU 114 11.600 -27.328 21.403 1.00 52.42 ATOM 1791 HD13 LEU 114 11.514 -28.260 22.887 1.00 13.15 ATOM 1792 CD2 LEU 114 8.992 -29.165 22.674 1.00 61.30 ATOM 1793 HD21 LEU 114 8.288 -29.860 22.240 1.00 40.02 ATOM 1794 HD22 LEU 114 8.453 -28.386 23.195 1.00 31.00 ATOM 1795 HD23 LEU 114 9.620 -29.695 23.378 1.00 10.33 ATOM 1796 C LEU 114 7.129 -27.592 18.953 1.00 53.21 ATOM 1797 O LEU 114 6.068 -27.012 19.185 1.00 11.14 ATOM 1798 N VAL 115 7.761 -27.502 17.787 1.00 25.13 ATOM 1799 HN VAL 115 8.592 -28.009 17.659 1.00 38.61 ATOM 1800 CA VAL 115 7.233 -26.700 16.690 1.00 20.32 ATOM 1801 HA VAL 115 7.267 -25.660 16.990 1.00 33.34 ATOM 1802 CB VAL 115 8.079 -26.868 15.414 1.00 22.02 ATOM 1803 HB VAL 115 8.049 -27.907 15.114 1.00 72.04 ATOM 1804 CG1 VAL 115 7.508 -26.030 14.281 1.00 71.15 ATOM 1805 HG11 VAL 115 8.187 -26.048 13.437 1.00 32.32 ATOM 1806 HG12 VAL 115 7.377 -25.008 14.608 1.00 22.31 ATOM 1807 HG13 VAL 115 6.556 -26.432 13.969 1.00 61.25 ATOM 1808 CG2 VAL 115 9.529 -26.496 15.684 1.00 24.54 ATOM 1809 HG21 VAL 115 10.120 -26.697 14.803 1.00 0.52 ATOM 1810 HG22 VAL 115 9.921 -27.054 16.502 1.00 4.40 ATOM 1811 HG23 VAL 115 9.593 -25.442 15.916 1.00 73.34 ATOM 1812 C VAL 115 5.788 -27.076 16.382 1.00 50.44 ATOM 1813 O VAL 115 4.941 -26.208 16.168 1.00 13.45 ATOM 1814 N THR 116 5.512 -28.376 16.359 1.00 13.14 ATOM 1815 HN THR 116 6.231 -29.029 16.532 1.00 38.61 ATOM 1816 CA THR 116 4.169 -28.867 16.076 1.00 22.33 ATOM 1817 HA THR 116 3.819 -28.394 15.165 1.00 35.32 ATOM 1818 CB THR 116 4.164 -30.392 15.856 1.00 52.20 ATOM 1819 HB THR 116 4.508 -30.869 16.756 1.00 41.42 ATOM 1820 OG1 THR 116 5.055 -30.736 14.789 1.00 54.31 ATOM 1821 HG1 THR 116 5.959 -30.750 15.114 1.00 31.23 ATOM 1822 CG2 THR 116 2.762 -30.887 15.533 1.00 42.12 ATOM 1823 HG21 THR 116 2.133 -30.817 16.407 1.00 32.11 ATOM 1824 HG22 THR 116 2.815 -31.918 15.218 1.00 41.32 ATOM 1825 HG23 THR 116 2.337 -30.294 14.734 1.00 62.13 ATOM 1826 C THR 116 3.208 -28.526 17.209 1.00 4.34 ATOM 1827 O THR 116 2.113 -28.014 16.975 1.00 74.10 ATOM 1828 N LEU 117 3.625 -28.811 18.438 1.00 1.51 ATOM 1829 HN LEU 117 4.510 -29.230 18.563 1.00 38.61 ATOM 1830 CA LEU 117 2.801 -28.532 19.609 1.00 31.42 ATOM 1831 HA LEU 117 1.934 -29.167 19.564 1.00 3.13 ATOM 1832 CB LEU 117 3.574 -28.854 20.889 1.00 31.14 ATOM 1833 HB1 LEU 117 4.581 -28.471 20.772 1.00 38.61 ATOM 1834 HB2 LEU 117 3.631 -29.931 20.983 1.00 44.33 ATOM 1835 CG LEU 117 2.995 -28.283 22.184 1.00 4.44 ATOM 1836 HG LEU 117 2.907 -27.211 22.105 1.00 62.02 ATOM 1837 CD1 LEU 117 1.607 -28.846 22.443 1.00 54.33 ATOM 1838 HD11 LEU 117 1.662 -29.921 22.531 1.00 43.44 ATOM 1839 HD12 LEU 117 0.947 -28.591 21.630 1.00 70.34 ATOM 1840 HD13 LEU 117 1.213 -28.434 23.361 1.00 70.31 ATOM 1841 CD2 LEU 117 3.919 -28.578 23.357 1.00 3.30 ATOM 1842 HD21 LEU 117 3.912 -29.636 23.561 1.00 1.25 ATOM 1843 HD22 LEU 117 3.573 -28.043 24.229 1.00 22.21 ATOM 1844 HD23 LEU 117 4.926 -28.264 23.121 1.00 23.54 ATOM 1845 C LEU 117 2.352 -27.075 19.625 1.00 10.34 ATOM 1846 O LEU 117 1.294 -26.747 20.160 1.00 12.13 ATOM 1847 N ASN 118 3.164 -26.204 19.034 1.00 74.34 ATOM 1848 HN ASN 118 4.022 -26.505 18.659 1.00 38.61 ATOM 1849 CA ASN 118 2.849 -24.781 18.978 1.00 21.35 ATOM 1850 HA ASN 118 2.406 -24.488 19.923 1.00 62.11 ATOM 1851 CB ASN 118 4.125 -23.964 18.767 1.00 12.41 ATOM 1852 HB1 ASN 118 4.732 -24.450 18.017 1.00 38.61 ATOM 1853 HB2 ASN 118 4.679 -23.915 19.681 1.00 63.33 ATOM 1854 CG ASN 118 3.835 -22.553 18.291 1.00 63.35 ATOM 1855 OD1 ASN 118 4.014 -22.235 17.115 1.00 50.51 ATOM 1856 ND2 ASN 118 3.386 -21.701 19.204 1.00 11.21 ATOM 1857 HD21 ASN 118 3.240 -22.017 20.098 1.00 51.33 ATOM 1858 HD22 ASN 118 3.220 -20.776 18.926 1.00 0.31 ATOM 1859 C ASN 118 1.852 -24.487 17.861 1.00 23.45 ATOM 1860 O ASN 118 0.878 -23.761 18.059 1.00 40.14 ATOM 1861 N LYS 119 2.103 -25.057 16.688 1.00 74.34 ATOM 1862 HN LYS 119 2.904 -25.626 16.587 1.00 38.61 ATOM 1863 CA LYS 119 1.228 -24.859 15.538 1.00 35.33 ATOM 1864 HA LYS 119 1.121 -23.793 15.372 1.00 44.31 ATOM 1865 CB LYS 119 1.839 -25.499 14.290 1.00 75.43 ATOM 1866 HB1 LYS 119 1.092 -25.537 13.505 1.00 38.61 ATOM 1867 HB2 LYS 119 2.133 -26.511 14.537 1.00 22.03 ATOM 1868 CG LYS 119 3.042 -24.748 13.748 1.00 41.21 ATOM 1869 HG1 LYS 119 3.559 -24.260 14.566 1.00 38.61 ATOM 1870 HG2 LYS 119 2.706 -23.999 13.048 1.00 33.42 ATOM 1871 CD LYS 119 4.020 -25.684 13.057 1.00 15.03 ATOM 1872 HD1 LYS 119 4.351 -26.434 13.761 1.00 38.61 ATOM 1873 HD2 LYS 119 4.869 -25.111 12.715 1.00 63.22 ATOM 1874 CE LYS 119 3.381 -26.374 11.862 1.00 54.44 ATOM 1875 HE1 LYS 119 2.632 -27.068 12.213 1.00 38.61 ATOM 1876 HE2 LYS 119 4.147 -26.916 11.327 1.00 51.15 ATOM 1877 NZ LYS 119 2.745 -25.398 10.933 1.00 62.20 ATOM 1878 HZ1 LYS 119 2.540 -25.862 10.025 1.00 22.31 ATOM 1879 HZ2 LYS 119 3.376 -24.588 10.755 1.00 1.31 ATOM 1880 HZ3 LYS 119 1.851 -25.048 11.333 1.00 70.45 ATOM 1881 C LYS 119 -0.155 -25.448 15.799 1.00 12.04 ATOM 1882 O LYS 119 -1.169 -24.765 15.654 1.00 72.21 ATOM 1883 N VAL 120 -0.189 -26.719 16.187 1.00 2.02 ATOM 1884 HN VAL 120 0.658 -27.209 16.282 1.00 38.61 ATOM 1885 CA VAL 120 -1.447 -27.399 16.471 1.00 10.43 ATOM 1886 HA VAL 120 -1.992 -27.499 15.541 1.00 43.33 ATOM 1887 CB VAL 120 -1.207 -28.805 17.051 1.00 63.32 ATOM 1888 HB VAL 120 -2.165 -29.250 17.255 1.00 21.14 ATOM 1889 CG1 VAL 120 -0.490 -29.685 16.038 1.00 61.00 ATOM 1890 HG11 VAL 120 0.462 -29.256 15.778 1.00 12.35 ATOM 1891 HG12 VAL 120 -1.095 -29.773 15.147 1.00 0.10 ATOM 1892 HG13 VAL 120 -0.336 -30.670 16.459 1.00 33.44 ATOM 1893 CG2 VAL 120 -0.417 -28.719 18.348 1.00 45.21 ATOM 1894 HG21 VAL 120 -1.091 -28.505 19.161 1.00 71.05 ATOM 1895 HG22 VAL 120 0.307 -27.940 18.290 1.00 11.23 ATOM 1896 HG23 VAL 120 0.081 -29.655 18.539 1.00 34.33 ATOM 1897 C VAL 120 -2.296 -26.596 17.450 1.00 14.12 ATOM 1898 O VAL 120 -3.526 -26.607 17.378 1.00 22.41 ATOM 1899 N THR 121 -1.633 -25.898 18.367 1.00 41.44 ATOM 1900 HN THR 121 -0.650 -25.939 18.402 1.00 38.61 ATOM 1901 CA THR 121 -2.326 -25.089 19.361 1.00 12.03 ATOM 1902 HA THR 121 -3.264 -25.569 19.605 1.00 13.45 ATOM 1903 CB THR 121 -1.500 -24.959 20.655 1.00 70.22 ATOM 1904 HB THR 121 -1.945 -24.200 21.289 1.00 43.14 ATOM 1905 OG1 THR 121 -0.156 -24.575 20.342 1.00 75.45 ATOM 1906 HG1 THR 121 -0.119 -23.627 20.191 1.00 50.41 ATOM 1907 CG2 THR 121 -1.492 -26.271 21.425 1.00 5.23 ATOM 1908 HG21 THR 121 -2.397 -26.830 21.220 1.00 2.12 ATOM 1909 HG22 THR 121 -1.453 -26.064 22.479 1.00 50.42 ATOM 1910 HG23 THR 121 -0.643 -26.861 21.146 1.00 24.32 ATOM 1911 C THR 121 -2.629 -23.695 18.823 1.00 64.20 ATOM 1912 O THR 121 -3.575 -23.042 19.261 1.00 75.52 ATOM 1913 N ALA 122 -1.819 -23.245 17.870 1.00 25.24 ATOM 1914 HN ALA 122 -1.053 -23.783 17.591 1.00 38.61 ATOM 1915 CA ALA 122 -2.002 -21.930 17.270 1.00 3.54 ATOM 1916 HA ALA 122 -1.995 -21.192 18.062 1.00 40.34 ATOM 1917 CB ALA 122 -0.849 -21.614 16.328 1.00 33.02 ATOM 1918 HB1 ALA 122 -0.954 -20.606 15.951 1.00 41.34 ATOM 1919 HB2 ALA 122 -0.851 -22.310 15.501 1.00 33.22 ATOM 1920 HB3 ALA 122 0.084 -21.699 16.865 1.00 32.53 ATOM 1921 C ALA 122 -3.332 -21.844 16.529 1.00 22.44 ATOM 1922 O ALA 122 -3.998 -20.809 16.547 1.00 44.14 ATOM 1923 N ASP 123 -3.712 -22.938 15.879 1.00 34.53 ATOM 1924 HN ASP 123 -3.133 -23.736 15.887 1.00 38.61 ATOM 1925 CA ASP 123 -4.964 -22.987 15.132 1.00 22.41 ATOM 1926 HA ASP 123 -4.970 -22.157 14.435 1.00 40.03 ATOM 1927 CB ASP 123 -5.063 -24.296 14.347 1.00 31.43 ATOM 1928 HB1 ASP 123 -5.233 -25.119 15.029 1.00 38.61 ATOM 1929 HB2 ASP 123 -4.133 -24.461 13.823 1.00 34.24 ATOM 1930 CG ASP 123 -6.183 -24.276 13.326 1.00 53.41 ATOM 1931 OD1 ASP 123 -7.342 -24.535 13.712 1.00 71.14 ATOM 1932 OD2 ASP 123 -5.901 -24.001 12.141 1.00 40.53 ATOM 1933 C ASP 123 -6.161 -22.849 16.067 1.00 0.44 ATOM 1934 O ASP 123 -7.229 -22.392 15.660 1.00 55.10 ATOM 1935 N ILE 124 -5.975 -23.246 17.321 1.00 22.34 ATOM 1936 HN ILE 124 -5.103 -23.599 17.593 1.00 38.61 ATOM 1937 CA ILE 124 -7.039 -23.166 18.314 1.00 73.12 ATOM 1938 HA ILE 124 -7.902 -23.698 17.927 1.00 23.21 ATOM 1939 CB ILE 124 -6.622 -23.824 19.642 1.00 25.11 ATOM 1940 HB ILE 124 -5.793 -23.272 20.054 1.00 61.33 ATOM 1941 CG1 ILE 124 -6.190 -25.273 19.405 1.00 2.32 ATOM 1942 HG11 ILE 124 -5.383 -25.303 18.689 1.00 38.61 ATOM 1943 HG12 ILE 124 -7.025 -25.838 19.017 1.00 71.23 ATOM 1944 CG2 ILE 124 -7.763 -23.763 20.646 1.00 75.35 ATOM 1945 HG21 ILE 124 -7.474 -24.247 21.567 1.00 41.51 ATOM 1946 HG22 ILE 124 -8.632 -24.262 20.242 1.00 24.04 ATOM 1947 HG23 ILE 124 -8.012 -22.736 20.865 1.00 22.21 ATOM 1948 CD1 ILE 124 -5.705 -25.971 20.656 1.00 31.14 ATOM 1949 HD11 ILE 124 -5.241 -26.908 20.384 1.00 2.03 ATOM 1950 HD12 ILE 124 -6.541 -26.165 21.310 1.00 32.51 ATOM 1951 HD13 ILE 124 -4.982 -25.350 21.167 1.00 64.03 ATOM 1952 C ILE 124 -7.435 -21.718 18.579 1.00 12.44 ATOM 1953 O ILE 124 -8.590 -21.425 18.888 1.00 63.13 ATOM 1954 N GLY 125 -6.468 -20.813 18.456 1.00 73.22 ATOM 1955 HN GLY 125 -5.553 -21.087 18.228 1.00 38.61 ATOM 1956 CA GLY 125 -6.736 -19.405 18.684 1.00 21.33 ATOM 1957 HA1 GLY 125 -7.656 -19.123 18.186 1.00 38.61 ATOM 1958 HA2 GLY 125 -5.925 -18.828 18.263 1.00 63.44 ATOM 1959 C GLY 125 -6.853 -19.069 20.158 1.00 74.04 ATOM 1960 O GLY 125 -7.887 -18.573 20.608 1.00 4.45 ATOM 1961 N LEU 126 -5.794 -19.341 20.911 1.00 5.30 ATOM 1962 HN LEU 126 -4.995 -19.741 20.491 1.00 38.61 ATOM 1963 HA LEU 126 -6.547 -19.672 22.807 1.00 51.13 ATOM 1964 CB LEU 126 -4.424 -19.435 22.943 1.00 13.52 ATOM 1965 HB1 LEU 126 -4.382 -19.071 23.965 1.00 38.61 ATOM 1966 HB2 LEU 126 -3.668 -18.912 22.370 1.00 55.54 ATOM 1967 CG LEU 126 -4.077 -20.924 22.951 1.00 3.44 ATOM 1968 HG LEU 126 -4.277 -21.341 21.974 1.00 74.24 ATOM 1969 CD1 LEU 126 -2.599 -21.125 23.251 1.00 73.25 ATOM 1970 HD11 LEU 126 -2.374 -20.771 24.248 1.00 22.30 ATOM 1971 HD12 LEU 126 -2.003 -20.579 22.532 1.00 34.50 ATOM 1972 HD13 LEU 126 -2.366 -22.174 23.179 1.00 20.42 ATOM 1973 CD2 LEU 126 -4.934 -21.666 23.966 1.00 53.12 ATOM 1974 HD21 LEU 126 -4.678 -22.717 23.959 1.00 61.12 ATOM 1975 HD22 LEU 126 -5.978 -21.556 23.711 1.00 13.32 ATOM 1976 HD23 LEU 126 -4.762 -21.263 24.955 1.00 72.01 ATOM 1977 CA LEU 126 -5.782 -19.065 22.344 1.00 73.35 ATOM 1978 C LEU 126 -6.090 -17.597 22.618 1.00 2.31 ATOM 1979 OT1 LEU 126 -7.046 -17.325 23.375 1.00 38.61 ATOM 1980 OT2 LEU 126 -5.381 -16.727 22.065 1.00 38.61 ATOM 1981 OH2 TIP3 1 -4.434 -43.000 15.749 0.00 0.00 WAT1 ATOM 1982 H1 TIP3 1 -4.875 -43.720 16.199 0.00 0.00 WAT1 ATOM 1983 H2 TIP3 1 -4.447 -42.279 16.379 0.00 0.00 WAT1 ATOM 1984 OH2 TIP3 2 -7.323 -37.895 15.961 0.00 0.00 WAT1 ATOM 1985 H1 TIP3 2 -6.703 -38.572 15.688 0.00 0.00 WAT1 ATOM 1986 H2 TIP3 2 -7.531 -38.113 16.869 0.00 0.00 WAT1 ATOM 1987 OH2 TIP3 3 -7.276 -42.593 13.071 0.00 0.00 WAT1 ATOM 1988 H1 TIP3 3 -7.572 -42.915 12.220 0.00 0.00 WAT1 ATOM 1989 H2 TIP3 3 -7.600 -41.693 13.113 0.00 0.00 WAT1 ATOM 1990 OH2 TIP3 4 -5.670 -39.379 14.722 0.00 0.00 WAT1 ATOM 1991 H1 TIP3 4 -5.245 -40.086 14.237 0.00 0.00 WAT1 ATOM 1992 H2 TIP3 4 -5.353 -38.578 14.305 0.00 0.00 WAT1 ATOM 1993 OH2 TIP3 5 -4.511 -41.478 13.231 0.00 0.00 WAT1 ATOM 1994 H1 TIP3 5 -4.768 -42.168 12.619 0.00 0.00 WAT1 ATOM 1995 H2 TIP3 5 -4.440 -41.921 14.076 0.00 0.00 WAT1 ATOM 1996 OH2 TIP3 6 -0.983 -46.572 19.774 0.00 0.00 WAT1 ATOM 1997 H1 TIP3 6 -1.635 -45.877 19.863 0.00 0.00 WAT1 ATOM 1998 H2 TIP3 6 -0.518 -46.362 18.964 0.00 0.00 WAT1 ATOM 1999 OH2 TIP3 7 -5.049 -47.566 21.500 0.00 0.00 WAT1 ATOM 2000 H1 TIP3 7 -4.969 -46.803 22.072 0.00 0.00 WAT1 ATOM 2001 H2 TIP3 7 -5.650 -47.287 20.809 0.00 0.00 WAT1 ATOM 2002 OH2 TIP3 8 -6.625 -40.838 18.682 0.00 0.00 WAT1 ATOM 2003 H1 TIP3 8 -6.866 -40.176 19.330 0.00 0.00 WAT1 ATOM 2004 H2 TIP3 8 -6.823 -41.672 19.107 0.00 0.00 WAT1 ATOM 2005 OH2 TIP3 9 -8.349 -39.841 13.552 0.00 0.00 WAT1 ATOM 2006 H1 TIP3 9 -7.875 -39.546 14.330 0.00 0.00 WAT1 ATOM 2007 H2 TIP3 9 -8.912 -39.103 13.319 0.00 0.00 WAT1 ATOM 2008 OH2 TIP3 10 -9.291 -40.657 22.161 0.00 0.00 WAT1 ATOM 2009 H1 TIP3 10 -9.204 -39.831 22.636 0.00 0.00 WAT1 ATOM 2010 H2 TIP3 10 -10.155 -40.987 22.410 0.00 0.00 WAT1 ATOM 2011 OH2 TIP3 11 -6.106 -37.805 11.719 0.00 0.00 WAT1 ATOM 2012 H1 TIP3 11 -7.041 -37.705 11.898 0.00 0.00 WAT1 ATOM 2013 H2 TIP3 11 -5.826 -38.514 12.297 0.00 0.00 WAT1 ATOM 2014 OH2 TIP3 12 -3.118 -48.738 23.765 0.00 0.00 WAT1 ATOM 2015 H1 TIP3 12 -3.525 -48.257 23.045 0.00 0.00 WAT1 ATOM 2016 H2 TIP3 12 -3.077 -49.643 23.458 0.00 0.00 WAT1 ATOM 2017 OH2 TIP3 13 -8.670 -43.697 22.074 0.00 0.00 WAT1 ATOM 2018 H1 TIP3 13 -9.016 -44.078 22.880 0.00 0.00 WAT1 ATOM 2019 H2 TIP3 13 -8.870 -42.763 22.145 0.00 0.00 WAT1 ATOM 2020 OH2 TIP3 14 -2.393 -40.204 10.856 0.00 0.00 WAT1 ATOM 2021 H1 TIP3 14 -2.766 -41.030 11.166 0.00 0.00 WAT1 ATOM 2022 H2 TIP3 14 -2.116 -40.387 9.959 0.00 0.00 WAT1 ATOM 2023 OH2 TIP3 15 -5.233 -45.396 17.878 0.00 0.00 WAT1 ATOM 2024 H1 TIP3 15 -6.161 -45.628 17.851 0.00 0.00 WAT1 ATOM 2025 H2 TIP3 15 -4.782 -46.173 17.548 0.00 0.00 WAT1 ATOM 2026 OH2 TIP3 16 -10.748 -39.256 19.902 0.00 0.00 WAT1 ATOM 2027 H1 TIP3 16 -10.385 -38.401 19.669 0.00 0.00 WAT1 ATOM 2028 H2 TIP3 16 -10.216 -39.548 20.643 0.00 0.00 WAT1 ATOM 2029 OH2 TIP3 17 -7.204 -43.157 19.603 0.00 0.00 WAT1 ATOM 2030 H1 TIP3 17 -7.630 -43.384 20.429 0.00 0.00 WAT1 ATOM 2031 H2 TIP3 17 -6.623 -43.895 19.420 0.00 0.00 WAT1 ATOM 2032 OH2 TIP3 18 -0.497 -37.748 8.878 0.00 0.00 WAT1 ATOM 2033 H1 TIP3 18 0.246 -37.162 8.738 0.00 0.00 WAT1 ATOM 2034 H2 TIP3 18 -1.192 -37.180 9.211 0.00 0.00 WAT1 ATOM 2035 OH2 TIP3 19 -4.362 -47.607 16.417 0.00 0.00 WAT1 ATOM 2036 H1 TIP3 19 -5.159 -48.022 16.088 0.00 0.00 WAT1 ATOM 2037 H2 TIP3 19 -3.917 -48.298 16.908 0.00 0.00 WAT1 ATOM 2038 OH2 TIP3 20 -5.264 -43.984 22.037 0.00 0.00 WAT1 ATOM 2039 H1 TIP3 20 -4.519 -43.396 21.917 0.00 0.00 WAT1 ATOM 2040 H2 TIP3 20 -6.021 -43.402 22.100 0.00 0.00 WAT1 ATOM 2041 OH2 TIP3 21 -7.855 -45.190 25.293 0.00 0.00 WAT1 ATOM 2042 H1 TIP3 21 -6.902 -45.106 25.265 0.00 0.00 WAT1 ATOM 2043 H2 TIP3 21 -8.015 -45.901 25.912 0.00 0.00 WAT1 ATOM 2044 OH2 TIP3 22 -4.809 -45.893 23.936 0.00 0.00 WAT1 ATOM 2045 H1 TIP3 22 -5.090 -45.184 23.358 0.00 0.00 WAT1 ATOM 2046 H2 TIP3 22 -3.866 -45.966 23.785 0.00 0.00 WAT1 ATOM 2047 OH2 TIP3 23 -2.207 -45.543 23.368 0.00 0.00 WAT1 ATOM 2048 H1 TIP3 23 -1.624 -46.277 23.559 0.00 0.00 WAT1 ATOM 2049 H2 TIP3 23 -1.643 -44.771 23.414 0.00 0.00 WAT1 ATOM 2050 OH2 TIP3 24 -0.710 -47.640 24.052 0.00 0.00 WAT1 ATOM 2051 H1 TIP3 24 -1.573 -48.019 23.887 0.00 0.00 WAT1 ATOM 2052 H2 TIP3 24 -0.106 -48.379 23.978 0.00 0.00 WAT1 ATOM 2053 OH2 TIP3 25 -2.741 -49.349 17.627 0.00 0.00 WAT1 ATOM 2054 H1 TIP3 25 -1.808 -49.137 17.593 0.00 0.00 WAT1 ATOM 2055 H2 TIP3 25 -2.976 -49.247 18.550 0.00 0.00 WAT1 ATOM 2056 OH2 TIP3 26 -2.712 -48.612 20.403 0.00 0.00 WAT1 ATOM 2057 H1 TIP3 26 -3.555 -48.344 20.769 0.00 0.00 WAT1 ATOM 2058 H2 TIP3 26 -2.269 -47.790 20.192 0.00 0.00 WAT1 ATOM 2059 OH2 TIP3 27 -3.821 -37.611 13.840 0.00 0.00 WAT1 ATOM 2060 H1 TIP3 27 -3.168 -37.958 13.232 0.00 0.00 WAT1 ATOM 2061 H2 TIP3 27 -3.310 -37.122 14.486 0.00 0.00 WAT1 ATOM 2062 OH2 TIP3 28 -9.171 -38.308 23.601 0.00 0.00 WAT1 ATOM 2063 H1 TIP3 28 -8.986 -38.642 24.479 0.00 0.00 WAT1 ATOM 2064 H2 TIP3 28 -8.324 -37.999 23.279 0.00 0.00 WAT1 ATOM 2065 OH2 TIP3 29 -8.902 -36.963 18.895 0.00 0.00 WAT1 ATOM 2066 H1 TIP3 29 -9.359 -36.434 18.241 0.00 0.00 WAT1 ATOM 2067 H2 TIP3 29 -8.739 -36.360 19.620 0.00 0.00 WAT1 ATOM 2068 OH2 TIP3 30 -1.841 -37.831 11.848 0.00 0.00 WAT1 ATOM 2069 H1 TIP3 30 -2.035 -38.579 11.283 0.00 0.00 WAT1 ATOM 2070 H2 TIP3 30 -1.880 -37.073 11.264 0.00 0.00 WAT1 ATOM 2071 OH2 TIP3 31 -4.434 -43.000 34.605 0.00 0.00 WAT1 ATOM 2072 H1 TIP3 31 -4.875 -43.720 35.055 0.00 0.00 WAT1 ATOM 2073 H2 TIP3 31 -4.447 -42.279 35.235 0.00 0.00 WAT1 ATOM 2074 OH2 TIP3 32 -7.323 -37.895 34.817 0.00 0.00 WAT1 ATOM 2075 H1 TIP3 32 -6.703 -38.572 34.544 0.00 0.00 WAT1 ATOM 2076 H2 TIP3 32 -7.531 -38.113 35.725 0.00 0.00 WAT1 ATOM 2077 OH2 TIP3 33 -5.670 -39.379 33.578 0.00 0.00 WAT1 ATOM 2078 H1 TIP3 33 -5.245 -40.086 33.093 0.00 0.00 WAT1 ATOM 2079 H2 TIP3 33 -5.353 -38.578 33.161 0.00 0.00 WAT1 ATOM 2080 OH2 TIP3 34 -4.511 -41.478 32.087 0.00 0.00 WAT1 ATOM 2081 H1 TIP3 34 -4.768 -42.168 31.475 0.00 0.00 WAT1 ATOM 2082 H2 TIP3 34 -4.440 -41.921 32.932 0.00 0.00 WAT1 ATOM 2083 OH2 TIP3 35 -0.983 -46.572 38.630 0.00 0.00 WAT1 ATOM 2084 H1 TIP3 35 -1.635 -45.877 38.719 0.00 0.00 WAT1 ATOM 2085 H2 TIP3 35 -0.518 -46.362 37.820 0.00 0.00 WAT1 ATOM 2086 OH2 TIP3 36 -6.625 -40.838 37.538 0.00 0.00 WAT1 ATOM 2087 H1 TIP3 36 -6.866 -40.176 38.186 0.00 0.00 WAT1 ATOM 2088 H2 TIP3 36 -6.823 -41.672 37.963 0.00 0.00 WAT1 ATOM 2089 OH2 TIP3 37 -8.349 -39.841 32.408 0.00 0.00 WAT1 ATOM 2090 H1 TIP3 37 -7.875 -39.546 33.186 0.00 0.00 WAT1 ATOM 2091 H2 TIP3 37 -8.912 -39.103 32.175 0.00 0.00 WAT1 ATOM 2092 OH2 TIP3 38 -9.291 -40.657 41.017 0.00 0.00 WAT1 ATOM 2093 H1 TIP3 38 -9.204 -39.831 41.492 0.00 0.00 WAT1 ATOM 2094 H2 TIP3 38 -10.155 -40.987 41.266 0.00 0.00 WAT1 ATOM 2095 OH2 TIP3 39 -8.877 -36.885 30.823 0.00 0.00 WAT1 ATOM 2096 H1 TIP3 39 -8.952 -37.006 29.877 0.00 0.00 WAT1 ATOM 2097 H2 TIP3 39 -8.844 -35.935 30.942 0.00 0.00 WAT1 ATOM 2098 OH2 TIP3 40 -6.106 -37.805 30.575 0.00 0.00 WAT1 ATOM 2099 H1 TIP3 40 -7.041 -37.705 30.754 0.00 0.00 WAT1 ATOM 2100 H2 TIP3 40 -5.826 -38.514 31.153 0.00 0.00 WAT1 ATOM 2101 OH2 TIP3 41 -4.598 -45.545 26.603 0.00 0.00 WAT1 ATOM 2102 H1 TIP3 41 -4.556 -45.768 25.673 0.00 0.00 WAT1 ATOM 2103 H2 TIP3 41 -3.749 -45.147 26.793 0.00 0.00 WAT1 ATOM 2104 OH2 TIP3 42 -2.988 -36.363 43.248 0.00 0.00 WAT1 ATOM 2105 H1 TIP3 42 -2.788 -35.939 42.413 0.00 0.00 WAT1 ATOM 2106 H2 TIP3 42 -2.332 -36.020 43.855 0.00 0.00 WAT1 ATOM 2107 OH2 TIP3 43 -3.040 -44.748 38.479 0.00 0.00 WAT1 ATOM 2108 H1 TIP3 43 -2.398 -44.291 37.936 0.00 0.00 WAT1 ATOM 2109 H2 TIP3 43 -3.870 -44.635 38.017 0.00 0.00 WAT1 ATOM 2110 OH2 TIP3 44 -8.670 -43.697 40.930 0.00 0.00 WAT1 ATOM 2111 H1 TIP3 44 -9.016 -44.078 41.736 0.00 0.00 WAT1 ATOM 2112 H2 TIP3 44 -8.870 -42.763 41.001 0.00 0.00 WAT1 ATOM 2113 OH2 TIP3 45 -8.064 -42.422 28.718 0.00 0.00 WAT1 ATOM 2114 H1 TIP3 45 -8.359 -41.596 29.100 0.00 0.00 WAT1 ATOM 2115 H2 TIP3 45 -8.767 -43.042 28.914 0.00 0.00 WAT1 ATOM 2116 OH2 TIP3 46 -6.420 -41.235 40.880 0.00 0.00 WAT1 ATOM 2117 H1 TIP3 46 -7.321 -41.052 40.612 0.00 0.00 WAT1 ATOM 2118 H2 TIP3 46 -6.386 -40.976 41.801 0.00 0.00 WAT1 ATOM 2119 OH2 TIP3 47 -0.689 -48.990 29.247 0.00 0.00 WAT1 ATOM 2120 H1 TIP3 47 -1.243 -49.386 28.575 0.00 0.00 WAT1 ATOM 2121 H2 TIP3 47 -0.588 -48.080 28.970 0.00 0.00 WAT1 ATOM 2122 OH2 TIP3 48 -0.725 -43.190 42.084 0.00 0.00 WAT1 ATOM 2123 H1 TIP3 48 -1.577 -42.952 41.717 0.00 0.00 WAT1 ATOM 2124 H2 TIP3 48 -0.135 -43.207 41.331 0.00 0.00 WAT1 ATOM 2125 OH2 TIP3 49 -2.393 -40.204 29.712 0.00 0.00 WAT1 ATOM 2126 H1 TIP3 49 -2.766 -41.030 30.022 0.00 0.00 WAT1 ATOM 2127 H2 TIP3 49 -2.116 -40.387 28.815 0.00 0.00 WAT1 ATOM 2128 OH2 TIP3 50 -5.233 -45.396 36.734 0.00 0.00 WAT1 ATOM 2129 H1 TIP3 50 -6.161 -45.628 36.707 0.00 0.00 WAT1 ATOM 2130 H2 TIP3 50 -4.782 -46.173 36.404 0.00 0.00 WAT1 ATOM 2131 OH2 TIP3 51 -7.204 -43.157 38.459 0.00 0.00 WAT1 ATOM 2132 H1 TIP3 51 -7.630 -43.384 39.285 0.00 0.00 WAT1 ATOM 2133 H2 TIP3 51 -6.623 -43.895 38.276 0.00 0.00 WAT1 ATOM 2134 OH2 TIP3 52 -5.001 -42.228 27.533 0.00 0.00 WAT1 ATOM 2135 H1 TIP3 52 -4.648 -42.608 28.337 0.00 0.00 WAT1 ATOM 2136 H2 TIP3 52 -5.950 -42.321 27.619 0.00 0.00 WAT1 ATOM 2137 OH2 TIP3 53 -4.135 -43.555 29.759 0.00 0.00 WAT1 ATOM 2138 H1 TIP3 53 -4.412 -44.283 30.315 0.00 0.00 WAT1 ATOM 2139 H2 TIP3 53 -3.208 -43.436 29.965 0.00 0.00 WAT1 ATOM 2140 OH2 TIP3 54 -10.910 -41.116 25.980 0.00 0.00 WAT1 ATOM 2141 H1 TIP3 54 -10.671 -41.864 25.432 0.00 0.00 WAT1 ATOM 2142 H2 TIP3 54 -11.179 -41.504 26.812 0.00 0.00 WAT1 ATOM 2143 OH2 TIP3 55 -9.235 -39.848 29.185 0.00 0.00 WAT1 ATOM 2144 H1 TIP3 55 -10.052 -39.351 29.238 0.00 0.00 WAT1 ATOM 2145 H2 TIP3 55 -8.706 -39.373 28.545 0.00 0.00 WAT1 ATOM 2146 OH2 TIP3 56 -8.872 -39.253 26.118 0.00 0.00 WAT1 ATOM 2147 H1 TIP3 56 -9.516 -39.884 26.440 0.00 0.00 WAT1 ATOM 2148 H2 TIP3 56 -8.110 -39.784 25.886 0.00 0.00 WAT1 ATOM 2149 OH2 TIP3 57 -6.387 -40.381 43.472 0.00 0.00 WAT1 ATOM 2150 H1 TIP3 57 -6.738 -41.237 43.715 0.00 0.00 WAT1 ATOM 2151 H2 TIP3 57 -5.661 -40.238 44.079 0.00 0.00 WAT1 ATOM 2152 OH2 TIP3 58 -7.961 -42.479 25.945 0.00 0.00 WAT1 ATOM 2153 H1 TIP3 58 -8.229 -42.299 26.846 0.00 0.00 WAT1 ATOM 2154 H2 TIP3 58 -8.167 -43.405 25.814 0.00 0.00 WAT1 ATOM 2155 OH2 TIP3 59 -5.264 -43.984 40.893 0.00 0.00 WAT1 ATOM 2156 H1 TIP3 59 -4.519 -43.396 40.773 0.00 0.00 WAT1 ATOM 2157 H2 TIP3 59 -6.021 -43.402 40.956 0.00 0.00 WAT1 ATOM 2158 OH2 TIP3 60 -1.703 -44.956 26.223 0.00 0.00 WAT1 ATOM 2159 H1 TIP3 60 -1.976 -45.381 25.410 0.00 0.00 WAT1 ATOM 2160 H2 TIP3 60 -1.663 -44.025 26.006 0.00 0.00 WAT1 ATOM 2161 OH2 TIP3 61 -4.809 -45.893 42.792 0.00 0.00 WAT1 ATOM 2162 H1 TIP3 61 -5.090 -45.184 42.214 0.00 0.00 WAT1 ATOM 2163 H2 TIP3 61 -3.866 -45.966 42.641 0.00 0.00 WAT1 ATOM 2164 OH2 TIP3 62 -11.195 -36.620 27.779 0.00 0.00 WAT1 ATOM 2165 H1 TIP3 62 -10.262 -36.462 27.923 0.00 0.00 WAT1 ATOM 2166 H2 TIP3 62 -11.459 -35.945 27.154 0.00 0.00 WAT1 ATOM 2167 OH2 TIP3 63 -2.545 -42.344 44.684 0.00 0.00 WAT1 ATOM 2168 H1 TIP3 63 -3.411 -42.449 45.078 0.00 0.00 WAT1 ATOM 2169 H2 TIP3 63 -2.169 -41.585 45.131 0.00 0.00 WAT1 ATOM 2170 OH2 TIP3 64 -1.244 -44.087 30.198 0.00 0.00 WAT1 ATOM 2171 H1 TIP3 64 -0.394 -43.666 30.326 0.00 0.00 WAT1 ATOM 2172 H2 TIP3 64 -1.239 -44.827 30.806 0.00 0.00 WAT1 ATOM 2173 OH2 TIP3 65 -0.850 -46.034 32.022 0.00 0.00 WAT1 ATOM 2174 H1 TIP3 65 -1.576 -46.513 32.420 0.00 0.00 WAT1 ATOM 2175 H2 TIP3 65 -0.269 -45.828 32.754 0.00 0.00 WAT1 ATOM 2176 OH2 TIP3 66 -0.582 -46.133 28.413 0.00 0.00 WAT1 ATOM 2177 H1 TIP3 66 -1.103 -45.776 27.694 0.00 0.00 WAT1 ATOM 2178 H2 TIP3 66 -0.615 -45.458 29.091 0.00 0.00 WAT1 ATOM 2179 OH2 TIP3 67 -3.063 -47.513 32.585 0.00 0.00 WAT1 ATOM 2180 H1 TIP3 67 -3.213 -48.458 32.565 0.00 0.00 WAT1 ATOM 2181 H2 TIP3 67 -3.417 -47.232 33.429 0.00 0.00 WAT1 ATOM 2182 OH2 TIP3 68 -2.207 -45.543 42.224 0.00 0.00 WAT1 ATOM 2183 H1 TIP3 68 -1.624 -46.277 42.415 0.00 0.00 WAT1 ATOM 2184 H2 TIP3 68 -1.643 -44.771 42.270 0.00 0.00 WAT1 ATOM 2185 OH2 TIP3 69 -9.171 -38.308 42.457 0.00 0.00 WAT1 ATOM 2186 H1 TIP3 69 -8.986 -38.642 43.335 0.00 0.00 WAT1 ATOM 2187 H2 TIP3 69 -8.324 -37.999 42.135 0.00 0.00 WAT1 ATOM 2188 OH2 TIP3 70 -6.826 -37.023 41.701 0.00 0.00 WAT1 ATOM 2189 H1 TIP3 70 -6.149 -37.655 41.461 0.00 0.00 WAT1 ATOM 2190 H2 TIP3 70 -6.504 -36.621 42.509 0.00 0.00 WAT1 ATOM 2191 OH2 TIP3 71 -8.902 -36.963 37.751 0.00 0.00 WAT1 ATOM 2192 H1 TIP3 71 -9.359 -36.434 37.097 0.00 0.00 WAT1 ATOM 2193 H2 TIP3 71 -8.739 -36.360 38.476 0.00 0.00 WAT1 ATOM 2194 OH2 TIP3 72 -6.575 -38.085 38.696 0.00 0.00 WAT1 ATOM 2195 H1 TIP3 72 -7.479 -37.920 38.430 0.00 0.00 WAT1 ATOM 2196 H2 TIP3 72 -6.146 -37.232 38.630 0.00 0.00 WAT1 ATOM 2197 OH2 TIP3 73 -8.550 -37.394 28.024 0.00 0.00 WAT1 ATOM 2198 H1 TIP3 73 -7.684 -37.028 27.846 0.00 0.00 WAT1 ATOM 2199 H2 TIP3 73 -8.797 -37.834 27.211 0.00 0.00 WAT1 ATOM 2200 OH2 TIP3 74 -1.187 -40.462 46.019 0.00 0.00 WAT1 ATOM 2201 H1 TIP3 74 -1.114 -39.523 46.189 0.00 0.00 WAT1 ATOM 2202 H2 TIP3 74 -0.282 -40.767 45.962 0.00 0.00 WAT1 ATOM 2203 OH2 TIP3 75 -0.497 -37.748 46.590 0.00 0.00 WAT1 ATOM 2204 H1 TIP3 75 0.246 -37.162 46.450 0.00 0.00 WAT1 ATOM 2205 H2 TIP3 75 -1.192 -37.180 46.923 0.00 0.00 WAT1 ATOM 2206 OH2 TIP3 76 -4.268 -39.436 45.208 0.00 0.00 WAT1 ATOM 2207 H1 TIP3 76 -3.985 -40.230 45.661 0.00 0.00 WAT1 ATOM 2208 H2 TIP3 76 -3.528 -39.203 44.647 0.00 0.00 WAT1 ATOM 2209 OH2 TIP3 77 -2.825 -24.056 2.852 0.00 0.00 WAT1 ATOM 2210 H1 TIP3 77 -2.685 -24.647 2.113 0.00 0.00 WAT1 ATOM 2211 H2 TIP3 77 -2.657 -23.183 2.496 0.00 0.00 WAT1 ATOM 2212 OH2 TIP3 78 -0.983 -27.716 0.918 0.00 0.00 WAT1 ATOM 2213 H1 TIP3 78 -1.635 -27.021 1.007 0.00 0.00 WAT1 ATOM 2214 H2 TIP3 78 -0.518 -27.506 0.108 0.00 0.00 WAT1 ATOM 2215 OH2 TIP3 79 -2.988 -17.507 5.536 0.00 0.00 WAT1 ATOM 2216 H1 TIP3 79 -2.788 -17.083 4.701 0.00 0.00 WAT1 ATOM 2217 H2 TIP3 79 -2.332 -17.164 6.143 0.00 0.00 WAT1 ATOM 2218 OH2 TIP3 80 -0.725 -24.334 4.372 0.00 0.00 WAT1 ATOM 2219 H1 TIP3 80 -1.577 -24.096 4.005 0.00 0.00 WAT1 ATOM 2220 H2 TIP3 80 -0.135 -24.351 3.619 0.00 0.00 WAT1 ATOM 2221 OH2 TIP3 81 -4.545 -19.749 3.216 0.00 0.00 WAT1 ATOM 2222 H1 TIP3 81 -5.147 -20.304 2.721 0.00 0.00 WAT1 ATOM 2223 H2 TIP3 81 -4.264 -19.082 2.590 0.00 0.00 WAT1 ATOM 2224 OH2 TIP3 82 -3.275 -19.495 -0.817 0.00 0.00 WAT1 ATOM 2225 H1 TIP3 82 -3.431 -18.817 -1.474 0.00 0.00 WAT1 ATOM 2226 H2 TIP3 82 -2.343 -19.423 -0.614 0.00 0.00 WAT1 ATOM 2227 OH2 TIP3 83 -6.387 -21.525 5.760 0.00 0.00 WAT1 ATOM 2228 H1 TIP3 83 -6.738 -22.381 6.003 0.00 0.00 WAT1 ATOM 2229 H2 TIP3 83 -5.661 -21.382 6.367 0.00 0.00 WAT1 ATOM 2230 OH2 TIP3 84 -7.855 -26.334 6.437 0.00 0.00 WAT1 ATOM 2231 H1 TIP3 84 -6.902 -26.250 6.409 0.00 0.00 WAT1 ATOM 2232 H2 TIP3 84 -8.015 -27.045 7.056 0.00 0.00 WAT1 ATOM 2233 OH2 TIP3 85 -6.125 -29.826 7.002 0.00 0.00 WAT1 ATOM 2234 H1 TIP3 85 -5.933 -30.757 6.891 0.00 0.00 WAT1 ATOM 2235 H2 TIP3 85 -5.268 -29.401 6.992 0.00 0.00 WAT1 ATOM 2236 OH2 TIP3 86 -4.809 -27.037 5.080 0.00 0.00 WAT1 ATOM 2237 H1 TIP3 86 -5.090 -26.328 4.502 0.00 0.00 WAT1 ATOM 2238 H2 TIP3 86 -3.866 -27.110 4.929 0.00 0.00 WAT1 ATOM 2239 OH2 TIP3 87 -0.559 -18.845 -0.588 0.00 0.00 WAT1 ATOM 2240 H1 TIP3 87 -0.581 -18.660 0.351 0.00 0.00 WAT1 ATOM 2241 H2 TIP3 87 0.131 -18.276 -0.929 0.00 0.00 WAT1 ATOM 2242 OH2 TIP3 88 -0.996 -19.278 2.334 0.00 0.00 WAT1 ATOM 2243 H1 TIP3 88 -1.483 -20.013 1.963 0.00 0.00 WAT1 ATOM 2244 H2 TIP3 88 -0.447 -19.671 3.012 0.00 0.00 WAT1 ATOM 2245 OH2 TIP3 89 -2.545 -23.488 6.972 0.00 0.00 WAT1 ATOM 2246 H1 TIP3 89 -3.411 -23.593 7.366 0.00 0.00 WAT1 ATOM 2247 H2 TIP3 89 -2.169 -22.729 7.419 0.00 0.00 WAT1 ATOM 2248 OH2 TIP3 90 -1.091 -24.393 -0.742 0.00 0.00 WAT1 ATOM 2249 H1 TIP3 90 -0.257 -24.771 -1.023 0.00 0.00 WAT1 ATOM 2250 H2 TIP3 90 -0.979 -23.450 -0.861 0.00 0.00 WAT1 ATOM 2251 OH2 TIP3 91 -2.604 -21.515 1.565 0.00 0.00 WAT1 ATOM 2252 H1 TIP3 91 -3.252 -21.190 2.190 0.00 0.00 WAT1 ATOM 2253 H2 TIP3 91 -3.122 -21.955 0.890 0.00 0.00 WAT1 ATOM 2254 OH2 TIP3 92 -2.207 -26.687 4.512 0.00 0.00 WAT1 ATOM 2255 H1 TIP3 92 -1.624 -27.421 4.703 0.00 0.00 WAT1 ATOM 2256 H2 TIP3 92 -1.643 -25.915 4.558 0.00 0.00 WAT1 ATOM 2257 OH2 TIP3 93 -0.710 -28.784 5.196 0.00 0.00 WAT1 ATOM 2258 H1 TIP3 93 -1.573 -29.163 5.031 0.00 0.00 WAT1 ATOM 2259 H2 TIP3 93 -0.106 -29.523 5.122 0.00 0.00 WAT1 ATOM 2260 OH2 TIP3 94 -3.970 -17.659 1.279 0.00 0.00 WAT1 ATOM 2261 H1 TIP3 94 -4.152 -16.743 1.068 0.00 0.00 WAT1 ATOM 2262 H2 TIP3 94 -3.794 -18.069 0.432 0.00 0.00 WAT1 ATOM 2263 OH2 TIP3 95 -2.623 -20.224 5.142 0.00 0.00 WAT1 ATOM 2264 H1 TIP3 95 -3.405 -20.410 4.622 0.00 0.00 WAT1 ATOM 2265 H2 TIP3 95 -2.695 -19.295 5.359 0.00 0.00 WAT1 ATOM 2266 OH2 TIP3 96 -14.848 -23.018 17.575 0.00 0.00 WAT1 ATOM 2267 H1 TIP3 96 -15.218 -23.820 17.206 0.00 0.00 WAT1 ATOM 2268 H2 TIP3 96 -13.907 -23.187 17.622 0.00 0.00 WAT1 ATOM 2269 OH2 TIP3 97 -6.610 -30.256 18.181 0.00 0.00 WAT1 ATOM 2270 H1 TIP3 97 -6.467 -31.203 18.201 0.00 0.00 WAT1 ATOM 2271 H2 TIP3 97 -6.716 -30.049 17.252 0.00 0.00 WAT1 ATOM 2272 OH2 TIP3 98 -5.733 -32.024 13.854 0.00 0.00 WAT1 ATOM 2273 H1 TIP3 98 -5.087 -32.353 14.479 0.00 0.00 WAT1 ATOM 2274 H2 TIP3 98 -5.223 -31.506 13.231 0.00 0.00 WAT1 ATOM 2275 OH2 TIP3 99 -11.679 -28.208 15.431 0.00 0.00 WAT1 ATOM 2276 H1 TIP3 99 -11.063 -28.734 15.940 0.00 0.00 WAT1 ATOM 2277 H2 TIP3 99 -12.265 -28.848 15.027 0.00 0.00 WAT1 ATOM 2278 OH2 TIP3 100 -12.076 -25.561 19.815 0.00 0.00 WAT1 ATOM 2279 H1 TIP3 100 -12.816 -24.963 19.918 0.00 0.00 WAT1 ATOM 2280 H2 TIP3 100 -11.362 -25.007 19.499 0.00 0.00 WAT1 ATOM 2281 OH2 TIP3 101 -13.668 -23.597 20.602 0.00 0.00 WAT1 ATOM 2282 H1 TIP3 101 -13.674 -22.718 20.224 0.00 0.00 WAT1 ATOM 2283 H2 TIP3 101 -14.522 -23.680 21.027 0.00 0.00 WAT1 ATOM 2284 OH2 TIP3 102 -10.619 -35.931 16.980 0.00 0.00 WAT1 ATOM 2285 H1 TIP3 102 -10.736 -36.880 16.926 0.00 0.00 WAT1 ATOM 2286 H2 TIP3 102 -11.474 -35.599 17.253 0.00 0.00 WAT1 ATOM 2287 OH2 TIP3 103 -8.298 -28.636 8.519 0.00 0.00 WAT1 ATOM 2288 H1 TIP3 103 -7.597 -28.614 9.170 0.00 0.00 WAT1 ATOM 2289 H2 TIP3 103 -7.996 -29.264 7.863 0.00 0.00 WAT1 ATOM 2290 OH2 TIP3 104 -13.301 -26.254 14.315 0.00 0.00 WAT1 ATOM 2291 H1 TIP3 104 -13.631 -26.624 13.496 0.00 0.00 WAT1 ATOM 2292 H2 TIP3 104 -12.713 -26.924 14.661 0.00 0.00 WAT1 ATOM 2293 OH2 TIP3 105 -11.934 -22.826 16.996 0.00 0.00 WAT1 ATOM 2294 H1 TIP3 105 -12.029 -23.404 16.239 0.00 0.00 WAT1 ATOM 2295 H2 TIP3 105 -11.205 -23.197 17.492 0.00 0.00 WAT1 ATOM 2296 OH2 TIP3 106 -12.934 -27.485 17.948 0.00 0.00 WAT1 ATOM 2297 H1 TIP3 106 -12.369 -27.364 17.185 0.00 0.00 WAT1 ATOM 2298 H2 TIP3 106 -12.615 -26.848 18.587 0.00 0.00 WAT1 ATOM 2299 OH2 TIP3 107 -12.054 -23.086 22.665 0.00 0.00 WAT1 ATOM 2300 H1 TIP3 107 -12.366 -22.304 23.121 0.00 0.00 WAT1 ATOM 2301 H2 TIP3 107 -12.704 -23.239 21.979 0.00 0.00 WAT1 ATOM 2302 OH2 TIP3 108 -6.075 -27.722 10.117 0.00 0.00 WAT1 ATOM 2303 H1 TIP3 108 -5.496 -27.572 10.864 0.00 0.00 WAT1 ATOM 2304 H2 TIP3 108 -5.661 -27.251 9.394 0.00 0.00 WAT1 ATOM 2305 OH2 TIP3 109 -13.815 -21.014 23.429 0.00 0.00 WAT1 ATOM 2306 H1 TIP3 109 -13.807 -21.150 22.481 0.00 0.00 WAT1 ATOM 2307 H2 TIP3 109 -14.731 -21.132 23.681 0.00 0.00 WAT1 ATOM 2308 OH2 TIP3 110 -2.377 -35.972 9.930 0.00 0.00 WAT1 ATOM 2309 H1 TIP3 110 -3.276 -35.833 10.225 0.00 0.00 WAT1 ATOM 2310 H2 TIP3 110 -2.125 -35.141 9.528 0.00 0.00 WAT1 ATOM 2311 OH2 TIP3 111 -14.311 -27.184 11.904 0.00 0.00 WAT1 ATOM 2312 H1 TIP3 111 -14.603 -26.416 11.413 0.00 0.00 WAT1 ATOM 2313 H2 TIP3 111 -14.985 -27.844 11.741 0.00 0.00 WAT1 ATOM 2314 OH2 TIP3 112 -1.187 -21.606 8.307 0.00 0.00 WAT1 ATOM 2315 H1 TIP3 112 -1.114 -20.667 8.477 0.00 0.00 WAT1 ATOM 2316 H2 TIP3 112 -0.282 -21.911 8.250 0.00 0.00 WAT1 ATOM 2317 OH2 TIP3 113 -8.877 -18.029 11.967 0.00 0.00 WAT1 ATOM 2318 H1 TIP3 113 -8.952 -18.150 11.021 0.00 0.00 WAT1 ATOM 2319 H2 TIP3 113 -8.844 -17.079 12.086 0.00 0.00 WAT1 ATOM 2320 OH2 TIP3 114 -5.775 -18.875 8.970 0.00 0.00 WAT1 ATOM 2321 H1 TIP3 114 -5.400 -19.619 8.499 0.00 0.00 WAT1 ATOM 2322 H2 TIP3 114 -5.771 -19.145 9.888 0.00 0.00 WAT1 ATOM 2323 OH2 TIP3 115 -6.106 -18.949 11.719 0.00 0.00 WAT1 ATOM 2324 H1 TIP3 115 -7.041 -18.849 11.898 0.00 0.00 WAT1 ATOM 2325 H2 TIP3 115 -5.826 -19.658 12.297 0.00 0.00 WAT1 ATOM 2326 OH2 TIP3 116 -4.598 -26.689 7.747 0.00 0.00 WAT1 ATOM 2327 H1 TIP3 116 -4.556 -26.912 6.817 0.00 0.00 WAT1 ATOM 2328 H2 TIP3 116 -3.749 -26.291 7.937 0.00 0.00 WAT1 ATOM 2329 OH2 TIP3 117 -13.262 -29.841 13.765 0.00 0.00 WAT1 ATOM 2330 H1 TIP3 117 -14.155 -30.182 13.706 0.00 0.00 WAT1 ATOM 2331 H2 TIP3 117 -12.811 -30.218 13.009 0.00 0.00 WAT1 ATOM 2332 OH2 TIP3 118 -7.726 -29.425 12.582 0.00 0.00 WAT1 ATOM 2333 H1 TIP3 118 -8.135 -28.610 12.290 0.00 0.00 WAT1 ATOM 2334 H2 TIP3 118 -7.006 -29.565 11.967 0.00 0.00 WAT1 ATOM 2335 OH2 TIP3 119 -8.624 -29.250 24.070 0.00 0.00 WAT1 ATOM 2336 H1 TIP3 119 -9.187 -29.954 24.390 0.00 0.00 WAT1 ATOM 2337 H2 TIP3 119 -7.798 -29.370 24.537 0.00 0.00 WAT1 ATOM 2338 OH2 TIP3 120 -6.722 -29.979 15.396 0.00 0.00 WAT1 ATOM 2339 H1 TIP3 120 -6.917 -29.374 14.681 0.00 0.00 WAT1 ATOM 2340 H2 TIP3 120 -6.540 -30.813 14.961 0.00 0.00 WAT1 ATOM 2341 OH2 TIP3 121 -9.360 -29.626 16.738 0.00 0.00 WAT1 ATOM 2342 H1 TIP3 121 -8.796 -30.173 16.191 0.00 0.00 WAT1 ATOM 2343 H2 TIP3 121 -9.508 -30.148 17.527 0.00 0.00 WAT1 ATOM 2344 OH2 TIP3 122 -10.734 -31.238 19.152 0.00 0.00 WAT1 ATOM 2345 H1 TIP3 122 -11.569 -30.784 19.262 0.00 0.00 WAT1 ATOM 2346 H2 TIP3 122 -10.210 -30.962 19.904 0.00 0.00 WAT1 ATOM 2347 OH2 TIP3 123 -10.190 -25.025 10.837 0.00 0.00 WAT1 ATOM 2348 H1 TIP3 123 -10.934 -25.532 10.514 0.00 0.00 WAT1 ATOM 2349 H2 TIP3 123 -10.324 -24.976 11.783 0.00 0.00 WAT1 ATOM 2350 OH2 TIP3 124 -5.574 -30.344 10.697 0.00 0.00 WAT1 ATOM 2351 H1 TIP3 124 -4.682 -30.481 11.016 0.00 0.00 WAT1 ATOM 2352 H2 TIP3 124 -5.517 -29.553 10.160 0.00 0.00 WAT1 ATOM 2353 OH2 TIP3 125 -11.040 -27.752 24.134 0.00 0.00 WAT1 ATOM 2354 H1 TIP3 125 -11.336 -27.918 23.239 0.00 0.00 WAT1 ATOM 2355 H2 TIP3 125 -10.109 -27.972 24.124 0.00 0.00 WAT1 ATOM 2356 OH2 TIP3 126 -0.689 -30.134 10.391 0.00 0.00 WAT1 ATOM 2357 H1 TIP3 126 -1.243 -30.530 9.719 0.00 0.00 WAT1 ATOM 2358 H2 TIP3 126 -0.588 -29.224 10.114 0.00 0.00 WAT1 ATOM 2359 OH2 TIP3 127 -2.393 -21.348 10.856 0.00 0.00 WAT1 ATOM 2360 H1 TIP3 127 -2.766 -22.174 11.166 0.00 0.00 WAT1 ATOM 2361 H2 TIP3 127 -2.116 -21.531 9.959 0.00 0.00 WAT1 ATOM 2362 OH2 TIP3 128 -12.690 -22.212 14.011 0.00 0.00 WAT1 ATOM 2363 H1 TIP3 128 -12.163 -21.439 13.810 0.00 0.00 WAT1 ATOM 2364 H2 TIP3 128 -13.570 -21.987 13.709 0.00 0.00 WAT1 ATOM 2365 OH2 TIP3 129 -12.579 -19.527 13.132 0.00 0.00 WAT1 ATOM 2366 H1 TIP3 129 -13.529 -19.422 13.184 0.00 0.00 WAT1 ATOM 2367 H2 TIP3 129 -12.228 -18.707 13.477 0.00 0.00 WAT1 ATOM 2368 OH2 TIP3 130 -0.497 -18.892 8.878 0.00 0.00 WAT1 ATOM 2369 H1 TIP3 130 0.246 -18.306 8.738 0.00 0.00 WAT1 ATOM 2370 H2 TIP3 130 -1.192 -18.324 9.211 0.00 0.00 WAT1 ATOM 2371 OH2 TIP3 131 -10.910 -22.260 7.124 0.00 0.00 WAT1 ATOM 2372 H1 TIP3 131 -10.671 -23.008 6.576 0.00 0.00 WAT1 ATOM 2373 H2 TIP3 131 -11.179 -22.648 7.956 0.00 0.00 WAT1 ATOM 2374 OH2 TIP3 132 -11.973 -22.690 9.580 0.00 0.00 WAT1 ATOM 2375 H1 TIP3 132 -11.826 -23.210 10.370 0.00 0.00 WAT1 ATOM 2376 H2 TIP3 132 -11.976 -21.783 9.886 0.00 0.00 WAT1 ATOM 2377 OH2 TIP3 133 -6.904 -33.123 11.466 0.00 0.00 WAT1 ATOM 2378 H1 TIP3 133 -6.684 -32.651 10.663 0.00 0.00 WAT1 ATOM 2379 H2 TIP3 133 -6.346 -32.728 12.137 0.00 0.00 WAT1 ATOM 2380 OH2 TIP3 134 -9.235 -20.992 10.329 0.00 0.00 WAT1 ATOM 2381 H1 TIP3 134 -10.052 -20.495 10.382 0.00 0.00 WAT1 ATOM 2382 H2 TIP3 134 -8.706 -20.517 9.689 0.00 0.00 WAT1 ATOM 2383 OH2 TIP3 135 -9.704 -31.395 12.301 0.00 0.00 WAT1 ATOM 2384 H1 TIP3 135 -8.892 -30.891 12.347 0.00 0.00 WAT1 ATOM 2385 H2 TIP3 135 -9.949 -31.540 13.215 0.00 0.00 WAT1 ATOM 2386 OH2 TIP3 136 -9.168 -30.409 21.486 0.00 0.00 WAT1 ATOM 2387 H1 TIP3 136 -9.049 -29.835 22.243 0.00 0.00 WAT1 ATOM 2388 H2 TIP3 136 -8.513 -31.097 21.601 0.00 0.00 WAT1 ATOM 2389 OH2 TIP3 137 -8.820 -34.314 13.239 0.00 0.00 WAT1 ATOM 2390 H1 TIP3 137 -9.167 -33.696 13.884 0.00 0.00 WAT1 ATOM 2391 H2 TIP3 137 -8.162 -33.813 12.758 0.00 0.00 WAT1 ATOM 2392 OH2 TIP3 138 -11.897 -19.949 10.311 0.00 0.00 WAT1 ATOM 2393 H1 TIP3 138 -11.736 -19.149 9.810 0.00 0.00 WAT1 ATOM 2394 H2 TIP3 138 -12.094 -19.642 11.196 0.00 0.00 WAT1 ATOM 2395 OH2 TIP3 139 -12.964 -19.905 25.887 0.00 0.00 WAT1 ATOM 2396 H1 TIP3 139 -12.196 -20.364 26.228 0.00 0.00 WAT1 ATOM 2397 H2 TIP3 139 -12.985 -20.131 24.957 0.00 0.00 WAT1 ATOM 2398 OH2 TIP3 140 -8.872 -20.397 7.262 0.00 0.00 WAT1 ATOM 2399 H1 TIP3 140 -9.516 -21.028 7.584 0.00 0.00 WAT1 ATOM 2400 H2 TIP3 140 -8.110 -20.928 7.030 0.00 0.00 WAT1 ATOM 2401 OH2 TIP3 141 -4.268 -20.580 7.496 0.00 0.00 WAT1 ATOM 2402 H1 TIP3 141 -3.985 -21.374 7.949 0.00 0.00 WAT1 ATOM 2403 H2 TIP3 141 -3.528 -20.347 6.935 0.00 0.00 WAT1 ATOM 2404 OH2 TIP3 142 -10.999 -25.044 24.654 0.00 0.00 WAT1 ATOM 2405 H1 TIP3 142 -11.327 -24.773 23.796 0.00 0.00 WAT1 ATOM 2406 H2 TIP3 142 -10.847 -25.985 24.566 0.00 0.00 WAT1 ATOM 2407 OH2 TIP3 143 -7.961 -23.623 7.089 0.00 0.00 WAT1 ATOM 2408 H1 TIP3 143 -8.229 -23.443 7.990 0.00 0.00 WAT1 ATOM 2409 H2 TIP3 143 -8.167 -24.549 6.958 0.00 0.00 WAT1 ATOM 2410 OH2 TIP3 144 -12.164 -26.698 9.659 0.00 0.00 WAT1 ATOM 2411 H1 TIP3 144 -12.623 -27.182 10.345 0.00 0.00 WAT1 ATOM 2412 H2 TIP3 144 -11.909 -27.366 9.023 0.00 0.00 WAT1 ATOM 2413 OH2 TIP3 145 -12.875 -28.805 22.015 0.00 0.00 WAT1 ATOM 2414 H1 TIP3 145 -13.493 -28.130 22.296 0.00 0.00 WAT1 ATOM 2415 H2 TIP3 145 -12.531 -28.484 21.182 0.00 0.00 WAT1 ATOM 2416 OH2 TIP3 146 -11.093 -28.455 7.922 0.00 0.00 WAT1 ATOM 2417 H1 TIP3 146 -11.273 -28.609 6.994 0.00 0.00 WAT1 ATOM 2418 H2 TIP3 146 -10.142 -28.347 7.966 0.00 0.00 WAT1 ATOM 2419 OH2 TIP3 147 -7.855 -26.334 25.293 0.00 0.00 WAT1 ATOM 2420 H1 TIP3 147 -6.902 -26.250 25.265 0.00 0.00 WAT1 ATOM 2421 H2 TIP3 147 -8.015 -27.045 25.912 0.00 0.00 WAT1 ATOM 2422 OH2 TIP3 148 -1.703 -26.100 7.367 0.00 0.00 WAT1 ATOM 2423 H1 TIP3 148 -1.976 -26.525 6.554 0.00 0.00 WAT1 ATOM 2424 H2 TIP3 148 -1.663 -25.169 7.150 0.00 0.00 WAT1 ATOM 2425 OH2 TIP3 149 -12.535 -31.450 23.098 0.00 0.00 WAT1 ATOM 2426 H1 TIP3 149 -12.385 -32.179 22.495 0.00 0.00 WAT1 ATOM 2427 H2 TIP3 149 -12.533 -30.673 22.539 0.00 0.00 WAT1 ATOM 2428 OH2 TIP3 150 -12.123 -33.080 20.590 0.00 0.00 WAT1 ATOM 2429 H1 TIP3 150 -11.587 -32.629 19.938 0.00 0.00 WAT1 ATOM 2430 H2 TIP3 150 -12.975 -33.188 20.168 0.00 0.00 WAT1 ATOM 2431 OH2 TIP3 151 -10.541 -27.641 20.830 0.00 0.00 WAT1 ATOM 2432 H1 TIP3 151 -9.790 -27.797 20.257 0.00 0.00 WAT1 ATOM 2433 H2 TIP3 151 -10.880 -26.789 20.554 0.00 0.00 WAT1 ATOM 2434 OH2 TIP3 152 -11.317 -35.624 21.022 0.00 0.00 WAT1 ATOM 2435 H1 TIP3 152 -11.415 -34.677 20.916 0.00 0.00 WAT1 ATOM 2436 H2 TIP3 152 -12.060 -35.996 20.546 0.00 0.00 WAT1 ATOM 2437 OH2 TIP3 153 -10.053 -31.302 24.585 0.00 0.00 WAT1 ATOM 2438 H1 TIP3 153 -10.289 -31.522 25.487 0.00 0.00 WAT1 ATOM 2439 H2 TIP3 153 -10.836 -31.509 24.076 0.00 0.00 WAT1 ATOM 2440 OH2 TIP3 154 -11.095 -36.330 23.693 0.00 0.00 WAT1 ATOM 2441 H1 TIP3 154 -10.383 -36.970 23.679 0.00 0.00 WAT1 ATOM 2442 H2 TIP3 154 -11.196 -36.063 22.779 0.00 0.00 WAT1 ATOM 2443 OH2 TIP3 155 -10.742 -34.647 25.747 0.00 0.00 WAT1 ATOM 2444 H1 TIP3 155 -10.873 -35.123 24.926 0.00 0.00 WAT1 ATOM 2445 H2 TIP3 155 -11.341 -33.903 25.691 0.00 0.00 WAT1 ATOM 2446 OH2 TIP3 156 -1.244 -25.231 11.342 0.00 0.00 WAT1 ATOM 2447 H1 TIP3 156 -0.394 -24.810 11.470 0.00 0.00 WAT1 ATOM 2448 H2 TIP3 156 -1.239 -25.971 11.950 0.00 0.00 WAT1 ATOM 2449 OH2 TIP3 157 -0.582 -27.277 9.557 0.00 0.00 WAT1 ATOM 2450 H1 TIP3 157 -1.103 -26.920 8.838 0.00 0.00 WAT1 ATOM 2451 H2 TIP3 157 -0.615 -26.602 10.235 0.00 0.00 WAT1 ATOM 2452 OH2 TIP3 158 -2.233 -30.037 8.108 0.00 0.00 WAT1 ATOM 2453 H1 TIP3 158 -2.136 -29.370 7.428 0.00 0.00 WAT1 ATOM 2454 H2 TIP3 158 -2.373 -30.853 7.626 0.00 0.00 WAT1 ATOM 2455 OH2 TIP3 159 -3.353 -31.074 12.191 0.00 0.00 WAT1 ATOM 2456 H1 TIP3 159 -3.073 -31.981 12.316 0.00 0.00 WAT1 ATOM 2457 H2 TIP3 159 -2.594 -30.640 11.802 0.00 0.00 WAT1 ATOM 2458 OH2 TIP3 160 -2.739 -33.811 12.240 0.00 0.00 WAT1 ATOM 2459 H1 TIP3 160 -2.557 -34.260 13.065 0.00 0.00 WAT1 ATOM 2460 H2 TIP3 160 -3.339 -34.396 11.776 0.00 0.00 WAT1 ATOM 2461 OH2 TIP3 161 -13.482 -20.851 20.642 0.00 0.00 WAT1 ATOM 2462 H1 TIP3 161 -13.907 -20.042 20.359 0.00 0.00 WAT1 ATOM 2463 H2 TIP3 161 -12.577 -20.766 20.340 0.00 0.00 WAT1 ATOM 2464 OH2 TIP3 162 -13.613 -17.995 19.719 0.00 0.00 WAT1 ATOM 2465 H1 TIP3 162 -14.478 -17.923 20.123 0.00 0.00 WAT1 ATOM 2466 H2 TIP3 162 -13.668 -17.448 18.935 0.00 0.00 WAT1 ATOM 2467 OH2 TIP3 163 -14.524 -20.262 16.255 0.00 0.00 WAT1 ATOM 2468 H1 TIP3 163 -14.743 -21.178 16.424 0.00 0.00 WAT1 ATOM 2469 H2 TIP3 163 -13.700 -20.122 16.721 0.00 0.00 WAT1 ATOM 2470 OH2 TIP3 164 -11.987 -19.792 17.103 0.00 0.00 WAT1 ATOM 2471 H1 TIP3 164 -11.774 -20.680 16.816 0.00 0.00 WAT1 ATOM 2472 H2 TIP3 164 -11.922 -19.826 18.058 0.00 0.00 WAT1 ATOM 2473 OH2 TIP3 165 -8.478 -34.128 16.248 0.00 0.00 WAT1 ATOM 2474 H1 TIP3 165 -9.153 -34.757 16.503 0.00 0.00 WAT1 ATOM 2475 H2 TIP3 165 -7.914 -34.612 15.645 0.00 0.00 WAT1 ATOM 2476 OH2 TIP3 166 -6.015 -35.537 15.532 0.00 0.00 WAT1 ATOM 2477 H1 TIP3 166 -5.939 -35.442 14.583 0.00 0.00 WAT1 ATOM 2478 H2 TIP3 166 -6.291 -36.445 15.661 0.00 0.00 WAT1 ATOM 2479 OH2 TIP3 167 -4.662 -35.511 11.225 0.00 0.00 WAT1 ATOM 2480 H1 TIP3 167 -5.365 -34.897 11.015 0.00 0.00 WAT1 ATOM 2481 H2 TIP3 167 -5.107 -36.349 11.356 0.00 0.00 WAT1 ATOM 2482 OH2 TIP3 168 -8.550 -18.538 9.168 0.00 0.00 WAT1 ATOM 2483 H1 TIP3 168 -7.684 -18.172 8.990 0.00 0.00 WAT1 ATOM 2484 H2 TIP3 168 -8.797 -18.978 8.355 0.00 0.00 WAT1 ATOM 2485 OH2 TIP3 169 -1.841 -18.975 11.848 0.00 0.00 WAT1 ATOM 2486 H1 TIP3 169 -2.035 -19.723 11.283 0.00 0.00 WAT1 ATOM 2487 H2 TIP3 169 -1.880 -18.217 11.264 0.00 0.00 WAT1 ATOM 2488 OH2 TIP3 170 -8.140 -27.083 36.303 0.00 0.00 WAT1 ATOM 2489 H1 TIP3 170 -8.178 -27.729 37.008 0.00 0.00 WAT1 ATOM 2490 H2 TIP3 170 -8.463 -27.549 35.532 0.00 0.00 WAT1 ATOM 2491 OH2 TIP3 171 -7.323 -19.039 34.817 0.00 0.00 WAT1 ATOM 2492 H1 TIP3 171 -6.703 -19.716 34.544 0.00 0.00 WAT1 ATOM 2493 H2 TIP3 171 -7.531 -19.257 35.725 0.00 0.00 WAT1 ATOM 2494 OH2 TIP3 172 -9.751 -24.650 36.709 0.00 0.00 WAT1 ATOM 2495 H1 TIP3 172 -9.447 -25.336 36.115 0.00 0.00 WAT1 ATOM 2496 H2 TIP3 172 -9.029 -24.532 37.327 0.00 0.00 WAT1 ATOM 2497 OH2 TIP3 173 -6.610 -30.256 37.037 0.00 0.00 WAT1 ATOM 2498 H1 TIP3 173 -6.467 -31.203 37.057 0.00 0.00 WAT1 ATOM 2499 H2 TIP3 173 -6.716 -30.049 36.108 0.00 0.00 WAT1 ATOM 2500 OH2 TIP3 174 -11.679 -28.208 34.287 0.00 0.00 WAT1 ATOM 2501 H1 TIP3 174 -11.063 -28.734 34.796 0.00 0.00 WAT1 ATOM 2502 H2 TIP3 174 -12.265 -28.848 33.883 0.00 0.00 WAT1 ATOM 2503 OH2 TIP3 175 -3.922 -22.304 36.953 0.00 0.00 WAT1 ATOM 2504 H1 TIP3 175 -4.864 -22.246 37.114 0.00 0.00 WAT1 ATOM 2505 H2 TIP3 175 -3.646 -21.398 36.816 0.00 0.00 WAT1 ATOM 2506 OH2 TIP3 176 -10.619 -35.931 35.836 0.00 0.00 WAT1 ATOM 2507 H1 TIP3 176 -10.736 -36.880 35.782 0.00 0.00 WAT1 ATOM 2508 H2 TIP3 176 -11.474 -35.599 36.109 0.00 0.00 WAT1 ATOM 2509 OH2 TIP3 177 -5.670 -20.523 33.578 0.00 0.00 WAT1 ATOM 2510 H1 TIP3 177 -5.245 -21.230 33.093 0.00 0.00 WAT1 ATOM 2511 H2 TIP3 177 -5.353 -19.722 33.161 0.00 0.00 WAT1 ATOM 2512 OH2 TIP3 178 -2.825 -24.056 40.564 0.00 0.00 WAT1 ATOM 2513 H1 TIP3 178 -2.685 -24.647 39.825 0.00 0.00 WAT1 ATOM 2514 H2 TIP3 178 -2.657 -23.183 40.208 0.00 0.00 WAT1 ATOM 2515 OH2 TIP3 179 -8.298 -28.636 27.375 0.00 0.00 WAT1 ATOM 2516 H1 TIP3 179 -7.597 -28.614 28.026 0.00 0.00 WAT1 ATOM 2517 H2 TIP3 179 -7.996 -29.264 26.719 0.00 0.00 WAT1 ATOM 2518 OH2 TIP3 180 -0.983 -27.716 38.630 0.00 0.00 WAT1 ATOM 2519 H1 TIP3 180 -1.635 -27.021 38.719 0.00 0.00 WAT1 ATOM 2520 H2 TIP3 180 -0.518 -27.506 37.820 0.00 0.00 WAT1 ATOM 2521 OH2 TIP3 181 -5.049 -28.710 40.356 0.00 0.00 WAT1 ATOM 2522 H1 TIP3 181 -4.969 -27.947 40.928 0.00 0.00 WAT1 ATOM 2523 H2 TIP3 181 -5.650 -28.431 39.665 0.00 0.00 WAT1 ATOM 2524 OH2 TIP3 182 -13.301 -26.254 33.171 0.00 0.00 WAT1 ATOM 2525 H1 TIP3 182 -13.631 -26.624 32.352 0.00 0.00 WAT1 ATOM 2526 H2 TIP3 182 -12.713 -26.924 33.517 0.00 0.00 WAT1 ATOM 2527 OH2 TIP3 183 -6.625 -21.982 37.538 0.00 0.00 WAT1 ATOM 2528 H1 TIP3 183 -6.866 -21.320 38.186 0.00 0.00 WAT1 ATOM 2529 H2 TIP3 183 -6.823 -22.816 37.963 0.00 0.00 WAT1 ATOM 2530 OH2 TIP3 184 -8.349 -20.985 32.408 0.00 0.00 WAT1 ATOM 2531 H1 TIP3 184 -7.875 -20.690 33.186 0.00 0.00 WAT1 ATOM 2532 H2 TIP3 184 -8.912 -20.247 32.175 0.00 0.00 WAT1 ATOM 2533 OH2 TIP3 185 -8.877 -18.029 30.823 0.00 0.00 WAT1 ATOM 2534 H1 TIP3 185 -8.952 -18.150 29.877 0.00 0.00 WAT1 ATOM 2535 H2 TIP3 185 -8.844 -17.079 30.942 0.00 0.00 WAT1 ATOM 2536 OH2 TIP3 186 -5.775 -18.875 27.826 0.00 0.00 WAT1 ATOM 2537 H1 TIP3 186 -5.400 -19.619 27.355 0.00 0.00 WAT1 ATOM 2538 H2 TIP3 186 -5.771 -19.145 28.744 0.00 0.00 WAT1 ATOM 2539 OH2 TIP3 187 -6.106 -18.949 30.575 0.00 0.00 WAT1 ATOM 2540 H1 TIP3 187 -7.041 -18.849 30.754 0.00 0.00 WAT1 ATOM 2541 H2 TIP3 187 -5.826 -19.658 31.153 0.00 0.00 WAT1 ATOM 2542 OH2 TIP3 188 -3.118 -29.882 42.621 0.00 0.00 WAT1 ATOM 2543 H1 TIP3 188 -3.525 -29.401 41.901 0.00 0.00 WAT1 ATOM 2544 H2 TIP3 188 -3.077 -30.787 42.314 0.00 0.00 WAT1 ATOM 2545 OH2 TIP3 189 -8.687 -35.306 39.988 0.00 0.00 WAT1 ATOM 2546 H1 TIP3 189 -8.267 -35.721 40.741 0.00 0.00 WAT1 ATOM 2547 H2 TIP3 189 -9.620 -35.484 40.105 0.00 0.00 WAT1 ATOM 2548 OH2 TIP3 190 -5.361 -31.550 40.842 0.00 0.00 WAT1 ATOM 2549 H1 TIP3 190 -5.875 -31.676 41.639 0.00 0.00 WAT1 ATOM 2550 H2 TIP3 190 -5.516 -30.638 40.597 0.00 0.00 WAT1 ATOM 2551 OH2 TIP3 191 -9.025 -32.813 27.273 0.00 0.00 WAT1 ATOM 2552 H1 TIP3 191 -9.279 -32.794 28.196 0.00 0.00 WAT1 ATOM 2553 H2 TIP3 191 -9.282 -33.685 26.972 0.00 0.00 WAT1 ATOM 2554 OH2 TIP3 192 -13.262 -29.841 32.621 0.00 0.00 WAT1 ATOM 2555 H1 TIP3 192 -14.155 -30.182 32.562 0.00 0.00 WAT1 ATOM 2556 H2 TIP3 192 -12.811 -30.218 31.865 0.00 0.00 WAT1 ATOM 2557 OH2 TIP3 193 -12.143 -32.368 26.374 0.00 0.00 WAT1 ATOM 2558 H1 TIP3 193 -12.574 -32.813 27.104 0.00 0.00 WAT1 ATOM 2559 H2 TIP3 193 -12.861 -31.996 25.862 0.00 0.00 WAT1 ATOM 2560 OH2 TIP3 194 -7.458 -28.341 38.923 0.00 0.00 WAT1 ATOM 2561 H1 TIP3 194 -7.134 -28.972 38.280 0.00 0.00 WAT1 ATOM 2562 H2 TIP3 194 -7.898 -28.876 39.584 0.00 0.00 WAT1 ATOM 2563 OH2 TIP3 195 -10.680 -32.414 33.707 0.00 0.00 WAT1 ATOM 2564 H1 TIP3 195 -11.591 -32.357 33.996 0.00 0.00 WAT1 ATOM 2565 H2 TIP3 195 -10.175 -32.474 34.518 0.00 0.00 WAT1 ATOM 2566 OH2 TIP3 196 -12.199 -30.785 30.190 0.00 0.00 WAT1 ATOM 2567 H1 TIP3 196 -11.267 -30.656 30.368 0.00 0.00 WAT1 ATOM 2568 H2 TIP3 196 -12.414 -30.115 29.541 0.00 0.00 WAT1 ATOM 2569 OH2 TIP3 197 -6.275 -33.179 36.971 0.00 0.00 WAT1 ATOM 2570 H1 TIP3 197 -6.952 -33.048 37.635 0.00 0.00 WAT1 ATOM 2571 H2 TIP3 197 -6.761 -33.334 36.161 0.00 0.00 WAT1 ATOM 2572 OH2 TIP3 198 -9.360 -29.626 35.594 0.00 0.00 WAT1 ATOM 2573 H1 TIP3 198 -8.796 -30.173 35.047 0.00 0.00 WAT1 ATOM 2574 H2 TIP3 198 -9.508 -30.148 36.383 0.00 0.00 WAT1 ATOM 2575 OH2 TIP3 199 -10.734 -31.238 38.008 0.00 0.00 WAT1 ATOM 2576 H1 TIP3 199 -11.569 -30.784 38.118 0.00 0.00 WAT1 ATOM 2577 H2 TIP3 199 -10.210 -30.962 38.760 0.00 0.00 WAT1 ATOM 2578 OH2 TIP3 200 -10.190 -25.025 29.693 0.00 0.00 WAT1 ATOM 2579 H1 TIP3 200 -10.934 -25.532 29.370 0.00 0.00 WAT1 ATOM 2580 H2 TIP3 200 -10.324 -24.976 30.639 0.00 0.00 WAT1 ATOM 2581 OH2 TIP3 201 -3.040 -25.892 38.479 0.00 0.00 WAT1 ATOM 2582 H1 TIP3 201 -2.398 -25.435 37.936 0.00 0.00 WAT1 ATOM 2583 H2 TIP3 201 -3.870 -25.779 38.017 0.00 0.00 WAT1 ATOM 2584 OH2 TIP3 202 -8.064 -23.566 28.718 0.00 0.00 WAT1 ATOM 2585 H1 TIP3 202 -8.359 -22.740 29.100 0.00 0.00 WAT1 ATOM 2586 H2 TIP3 202 -8.767 -24.186 28.914 0.00 0.00 WAT1 ATOM 2587 OH2 TIP3 203 -5.233 -26.540 36.734 0.00 0.00 WAT1 ATOM 2588 H1 TIP3 203 -6.161 -26.772 36.707 0.00 0.00 WAT1 ATOM 2589 H2 TIP3 203 -4.782 -27.317 36.404 0.00 0.00 WAT1 ATOM 2590 OH2 TIP3 204 -11.263 -24.549 32.443 0.00 0.00 WAT1 ATOM 2591 H1 TIP3 204 -11.504 -23.624 32.485 0.00 0.00 WAT1 ATOM 2592 H2 TIP3 204 -12.003 -25.008 32.839 0.00 0.00 WAT1 ATOM 2593 OH2 TIP3 205 -7.204 -24.301 38.459 0.00 0.00 WAT1 ATOM 2594 H1 TIP3 205 -7.630 -24.528 39.285 0.00 0.00 WAT1 ATOM 2595 H2 TIP3 205 -6.623 -25.039 38.276 0.00 0.00 WAT1 ATOM 2596 OH2 TIP3 206 -10.910 -22.260 25.980 0.00 0.00 WAT1 ATOM 2597 H1 TIP3 206 -10.671 -23.008 25.432 0.00 0.00 WAT1 ATOM 2598 H2 TIP3 206 -11.179 -22.648 26.812 0.00 0.00 WAT1 ATOM 2599 OH2 TIP3 207 -11.973 -22.690 28.436 0.00 0.00 WAT1 ATOM 2600 H1 TIP3 207 -11.826 -23.210 29.226 0.00 0.00 WAT1 ATOM 2601 H2 TIP3 207 -11.976 -21.783 28.742 0.00 0.00 WAT1 ATOM 2602 OH2 TIP3 208 -7.688 -32.775 39.225 0.00 0.00 WAT1 ATOM 2603 H1 TIP3 208 -6.990 -32.701 39.875 0.00 0.00 WAT1 ATOM 2604 H2 TIP3 208 -8.069 -33.639 39.380 0.00 0.00 WAT1 ATOM 2605 OH2 TIP3 209 -9.235 -20.992 29.185 0.00 0.00 WAT1 ATOM 2606 H1 TIP3 209 -10.052 -20.495 29.238 0.00 0.00 WAT1 ATOM 2607 H2 TIP3 209 -8.706 -20.517 28.545 0.00 0.00 WAT1 ATOM 2608 OH2 TIP3 210 -9.704 -31.395 31.157 0.00 0.00 WAT1 ATOM 2609 H1 TIP3 210 -8.892 -30.891 31.203 0.00 0.00 WAT1 ATOM 2610 H2 TIP3 210 -9.949 -31.540 32.071 0.00 0.00 WAT1 ATOM 2611 OH2 TIP3 211 -11.897 -19.949 29.167 0.00 0.00 WAT1 ATOM 2612 H1 TIP3 211 -11.736 -19.149 28.666 0.00 0.00 WAT1 ATOM 2613 H2 TIP3 211 -12.094 -19.642 30.052 0.00 0.00 WAT1 ATOM 2614 OH2 TIP3 212 -2.964 -32.502 41.177 0.00 0.00 WAT1 ATOM 2615 H1 TIP3 212 -3.880 -32.239 41.089 0.00 0.00 WAT1 ATOM 2616 H2 TIP3 212 -2.628 -32.505 40.280 0.00 0.00 WAT1 ATOM 2617 OH2 TIP3 213 -3.275 -19.495 36.895 0.00 0.00 WAT1 ATOM 2618 H1 TIP3 213 -3.431 -18.817 36.238 0.00 0.00 WAT1 ATOM 2619 H2 TIP3 213 -2.343 -19.423 37.098 0.00 0.00 WAT1 ATOM 2620 OH2 TIP3 214 -8.872 -20.397 26.118 0.00 0.00 WAT1 ATOM 2621 H1 TIP3 214 -9.516 -21.028 26.440 0.00 0.00 WAT1 ATOM 2622 H2 TIP3 214 -8.110 -20.928 25.886 0.00 0.00 WAT1 ATOM 2623 OH2 TIP3 215 -13.313 -24.670 26.209 0.00 0.00 WAT1 ATOM 2624 H1 TIP3 215 -13.249 -25.464 26.740 0.00 0.00 WAT1 ATOM 2625 H2 TIP3 215 -12.660 -24.789 25.520 0.00 0.00 WAT1 ATOM 2626 OH2 TIP3 216 -7.961 -23.623 25.945 0.00 0.00 WAT1 ATOM 2627 H1 TIP3 216 -8.229 -23.443 26.846 0.00 0.00 WAT1 ATOM 2628 H2 TIP3 216 -8.167 -24.549 25.814 0.00 0.00 WAT1 ATOM 2629 OH2 TIP3 217 -5.264 -25.128 40.893 0.00 0.00 WAT1 ATOM 2630 H1 TIP3 217 -4.519 -24.540 40.773 0.00 0.00 WAT1 ATOM 2631 H2 TIP3 217 -6.021 -24.546 40.956 0.00 0.00 WAT1 ATOM 2632 OH2 TIP3 218 -12.164 -26.698 28.515 0.00 0.00 WAT1 ATOM 2633 H1 TIP3 218 -12.623 -27.182 29.201 0.00 0.00 WAT1 ATOM 2634 H2 TIP3 218 -11.909 -27.366 27.879 0.00 0.00 WAT1 ATOM 2635 OH2 TIP3 219 -11.093 -28.455 26.778 0.00 0.00 WAT1 ATOM 2636 H1 TIP3 219 -11.273 -28.609 25.850 0.00 0.00 WAT1 ATOM 2637 H2 TIP3 219 -10.142 -28.347 26.822 0.00 0.00 WAT1 ATOM 2638 OH2 TIP3 220 -11.195 -17.764 27.779 0.00 0.00 WAT1 ATOM 2639 H1 TIP3 220 -10.262 -17.606 27.923 0.00 0.00 WAT1 ATOM 2640 H2 TIP3 220 -11.459 -17.089 27.154 0.00 0.00 WAT1 ATOM 2641 OH2 TIP3 221 -0.559 -18.845 37.124 0.00 0.00 WAT1 ATOM 2642 H1 TIP3 221 -0.581 -18.660 38.063 0.00 0.00 WAT1 ATOM 2643 H2 TIP3 221 0.131 -18.276 36.783 0.00 0.00 WAT1 ATOM 2644 OH2 TIP3 222 -1.091 -24.393 36.970 0.00 0.00 WAT1 ATOM 2645 H1 TIP3 222 -0.257 -24.771 36.689 0.00 0.00 WAT1 ATOM 2646 H2 TIP3 222 -0.979 -23.450 36.851 0.00 0.00 WAT1 ATOM 2647 OH2 TIP3 223 -2.604 -21.515 39.277 0.00 0.00 WAT1 ATOM 2648 H1 TIP3 223 -3.252 -21.190 39.902 0.00 0.00 WAT1 ATOM 2649 H2 TIP3 223 -3.122 -21.955 38.602 0.00 0.00 WAT1 ATOM 2650 OH2 TIP3 224 -2.207 -26.687 42.224 0.00 0.00 WAT1 ATOM 2651 H1 TIP3 224 -1.624 -27.421 42.415 0.00 0.00 WAT1 ATOM 2652 H2 TIP3 224 -1.643 -25.915 42.270 0.00 0.00 WAT1 ATOM 2653 OH2 TIP3 225 -0.710 -28.784 42.908 0.00 0.00 WAT1 ATOM 2654 H1 TIP3 225 -1.573 -29.163 42.743 0.00 0.00 WAT1 ATOM 2655 H2 TIP3 225 -0.106 -29.523 42.834 0.00 0.00 WAT1 ATOM 2656 OH2 TIP3 226 -2.712 -29.756 39.259 0.00 0.00 WAT1 ATOM 2657 H1 TIP3 226 -3.555 -29.488 39.625 0.00 0.00 WAT1 ATOM 2658 H2 TIP3 226 -2.269 -28.934 39.048 0.00 0.00 WAT1 ATOM 2659 OH2 TIP3 227 -0.429 -35.776 44.613 0.00 0.00 WAT1 ATOM 2660 H1 TIP3 227 -0.079 -36.430 44.007 0.00 0.00 WAT1 ATOM 2661 H2 TIP3 227 -0.282 -34.939 44.173 0.00 0.00 WAT1 ATOM 2662 OH2 TIP3 228 -0.909 -33.667 42.962 0.00 0.00 WAT1 ATOM 2663 H1 TIP3 228 -1.826 -33.396 42.926 0.00 0.00 WAT1 ATOM 2664 H2 TIP3 228 -0.786 -34.202 42.178 0.00 0.00 WAT1 ATOM 2665 OH2 TIP3 229 -3.821 -18.755 32.696 0.00 0.00 WAT1 ATOM 2666 H1 TIP3 229 -3.168 -19.102 32.088 0.00 0.00 WAT1 ATOM 2667 H2 TIP3 229 -3.310 -18.266 33.342 0.00 0.00 WAT1 ATOM 2668 OH2 TIP3 230 -8.478 -34.128 35.104 0.00 0.00 WAT1 ATOM 2669 H1 TIP3 230 -9.153 -34.757 35.359 0.00 0.00 WAT1 ATOM 2670 H2 TIP3 230 -7.914 -34.612 34.501 0.00 0.00 WAT1 ATOM 2671 OH2 TIP3 231 -11.572 -35.567 32.739 0.00 0.00 WAT1 ATOM 2672 H1 TIP3 231 -10.698 -35.179 32.709 0.00 0.00 WAT1 ATOM 2673 H2 TIP3 231 -11.708 -35.782 33.662 0.00 0.00 WAT1 ATOM 2674 OH2 TIP3 232 -10.428 -33.487 29.629 0.00 0.00 WAT1 ATOM 2675 H1 TIP3 232 -10.250 -34.133 30.312 0.00 0.00 WAT1 ATOM 2676 H2 TIP3 232 -10.482 -32.653 30.096 0.00 0.00 WAT1 ATOM 2677 OH2 TIP3 233 -8.550 -18.538 28.024 0.00 0.00 WAT1 ATOM 2678 H1 TIP3 233 -7.684 -18.172 27.846 0.00 0.00 WAT1 ATOM 2679 H2 TIP3 233 -8.797 -18.978 27.211 0.00 0.00 WAT1 ATOM 2680 OH2 TIP3 234 -5.799 -36.297 44.161 0.00 0.00 WAT1 ATOM 2681 H1 TIP3 234 -5.723 -36.723 45.015 0.00 0.00 WAT1 ATOM 2682 H2 TIP3 234 -4.906 -36.283 43.819 0.00 0.00 WAT1 ATOM 2683 OH2 TIP3 235 -2.985 -32.629 44.937 0.00 0.00 WAT1 ATOM 2684 H1 TIP3 235 -2.375 -33.001 45.574 0.00 0.00 WAT1 ATOM 2685 H2 TIP3 235 -3.822 -33.051 45.133 0.00 0.00 WAT1 ATOM 2686 OH2 TIP3 236 -0.873 -33.744 46.480 0.00 0.00 WAT1 ATOM 2687 H1 TIP3 236 -0.460 -34.465 46.004 0.00 0.00 WAT1 ATOM 2688 H2 TIP3 236 -0.191 -33.074 46.538 0.00 0.00 WAT1 ATOM 2689 OH2 TIP3 237 -1.088 -14.193 -0.142 0.00 0.00 WAT1 ATOM 2690 H1 TIP3 237 -1.039 -13.583 0.594 0.00 0.00 WAT1 ATOM 2691 H2 TIP3 237 -0.662 -13.732 -0.865 0.00 0.00 WAT1 ATOM 2692 OH2 TIP3 238 -0.696 -12.715 2.094 0.00 0.00 WAT1 ATOM 2693 H1 TIP3 238 -1.385 -12.057 1.999 0.00 0.00 WAT1 ATOM 2694 H2 TIP3 238 -0.681 -12.912 3.031 0.00 0.00 WAT1 ATOM 2695 OH2 TIP3 239 -0.429 -16.920 6.901 0.00 0.00 WAT1 ATOM 2696 H1 TIP3 239 -0.079 -17.574 6.295 0.00 0.00 WAT1 ATOM 2697 H2 TIP3 239 -0.282 -16.083 6.461 0.00 0.00 WAT1 ATOM 2698 OH2 TIP3 240 -0.909 -14.811 5.250 0.00 0.00 WAT1 ATOM 2699 H1 TIP3 240 -1.826 -14.540 5.214 0.00 0.00 WAT1 ATOM 2700 H2 TIP3 240 -0.786 -15.346 4.466 0.00 0.00 WAT1 ATOM 2701 OH2 TIP3 241 -1.908 -16.721 3.069 0.00 0.00 WAT1 ATOM 2702 H1 TIP3 241 -2.721 -16.396 2.681 0.00 0.00 WAT1 ATOM 2703 H2 TIP3 241 -1.675 -17.481 2.536 0.00 0.00 WAT1 ATOM 2704 OH2 TIP3 242 -1.088 -14.193 18.714 0.00 0.00 WAT1 ATOM 2705 H1 TIP3 242 -1.039 -13.583 19.450 0.00 0.00 WAT1 ATOM 2706 H2 TIP3 242 -0.662 -13.732 17.991 0.00 0.00 WAT1 ATOM 2707 OH2 TIP3 243 -6.610 -11.400 18.181 0.00 0.00 WAT1 ATOM 2708 H1 TIP3 243 -6.467 -12.347 18.201 0.00 0.00 WAT1 ATOM 2709 H2 TIP3 243 -6.716 -11.193 17.252 0.00 0.00 WAT1 ATOM 2710 OH2 TIP3 244 -5.733 -13.168 13.854 0.00 0.00 WAT1 ATOM 2711 H1 TIP3 244 -5.087 -13.497 14.479 0.00 0.00 WAT1 ATOM 2712 H2 TIP3 244 -5.223 -12.650 13.231 0.00 0.00 WAT1 ATOM 2713 OH2 TIP3 245 -0.696 -12.715 20.950 0.00 0.00 WAT1 ATOM 2714 H1 TIP3 245 -1.385 -12.057 20.855 0.00 0.00 WAT1 ATOM 2715 H2 TIP3 245 -0.681 -12.912 21.887 0.00 0.00 WAT1 ATOM 2716 OH2 TIP3 246 -3.969 -13.877 15.835 0.00 0.00 WAT1 ATOM 2717 H1 TIP3 246 -4.184 -14.643 16.367 0.00 0.00 WAT1 ATOM 2718 H2 TIP3 246 -3.313 -13.405 16.348 0.00 0.00 WAT1 ATOM 2719 OH2 TIP3 247 -10.619 -17.075 16.980 0.00 0.00 WAT1 ATOM 2720 H1 TIP3 247 -10.736 -18.024 16.926 0.00 0.00 WAT1 ATOM 2721 H2 TIP3 247 -11.474 -16.743 17.253 0.00 0.00 WAT1 ATOM 2722 OH2 TIP3 248 -5.049 -9.854 21.500 0.00 0.00 WAT1 ATOM 2723 H1 TIP3 248 -4.969 -9.091 22.072 0.00 0.00 WAT1 ATOM 2724 H2 TIP3 248 -5.650 -9.575 20.809 0.00 0.00 WAT1 ATOM 2725 OH2 TIP3 249 -2.377 -17.116 9.930 0.00 0.00 WAT1 ATOM 2726 H1 TIP3 249 -3.276 -16.977 10.225 0.00 0.00 WAT1 ATOM 2727 H2 TIP3 249 -2.125 -16.285 9.528 0.00 0.00 WAT1 ATOM 2728 OH2 TIP3 250 -3.118 -11.026 23.765 0.00 0.00 WAT1 ATOM 2729 H1 TIP3 250 -3.525 -10.545 23.045 0.00 0.00 WAT1 ATOM 2730 H2 TIP3 250 -3.077 -11.931 23.458 0.00 0.00 WAT1 ATOM 2731 OH2 TIP3 251 -13.350 -16.172 17.758 0.00 0.00 WAT1 ATOM 2732 H1 TIP3 251 -14.211 -16.259 17.350 0.00 0.00 WAT1 ATOM 2733 H2 TIP3 251 -13.372 -15.316 18.185 0.00 0.00 WAT1 ATOM 2734 OH2 TIP3 252 -5.361 -12.694 21.986 0.00 0.00 WAT1 ATOM 2735 H1 TIP3 252 -5.875 -12.820 22.783 0.00 0.00 WAT1 ATOM 2736 H2 TIP3 252 -5.516 -11.782 21.741 0.00 0.00 WAT1 ATOM 2737 OH2 TIP3 253 -8.624 -10.394 24.070 0.00 0.00 WAT1 ATOM 2738 H1 TIP3 253 -9.187 -11.098 24.390 0.00 0.00 WAT1 ATOM 2739 H2 TIP3 253 -7.798 -10.514 24.537 0.00 0.00 WAT1 ATOM 2740 OH2 TIP3 254 -7.458 -9.485 20.067 0.00 0.00 WAT1 ATOM 2741 H1 TIP3 254 -7.134 -10.116 19.424 0.00 0.00 WAT1 ATOM 2742 H2 TIP3 254 -7.898 -10.020 20.728 0.00 0.00 WAT1 ATOM 2743 OH2 TIP3 255 -6.275 -14.323 18.115 0.00 0.00 WAT1 ATOM 2744 H1 TIP3 255 -6.952 -14.192 18.779 0.00 0.00 WAT1 ATOM 2745 H2 TIP3 255 -6.761 -14.478 17.305 0.00 0.00 WAT1 ATOM 2746 OH2 TIP3 256 -10.734 -12.382 19.152 0.00 0.00 WAT1 ATOM 2747 H1 TIP3 256 -11.569 -11.928 19.262 0.00 0.00 WAT1 ATOM 2748 H2 TIP3 256 -10.210 -12.106 19.904 0.00 0.00 WAT1 ATOM 2749 OH2 TIP3 257 -0.689 -11.278 10.391 0.00 0.00 WAT1 ATOM 2750 H1 TIP3 257 -1.243 -11.674 9.719 0.00 0.00 WAT1 ATOM 2751 H2 TIP3 257 -0.588 -10.368 10.114 0.00 0.00 WAT1 ATOM 2752 OH2 TIP3 258 -7.688 -13.919 20.369 0.00 0.00 WAT1 ATOM 2753 H1 TIP3 258 -6.990 -13.845 21.019 0.00 0.00 WAT1 ATOM 2754 H2 TIP3 258 -8.069 -14.783 20.524 0.00 0.00 WAT1 ATOM 2755 OH2 TIP3 259 -9.168 -11.553 21.486 0.00 0.00 WAT1 ATOM 2756 H1 TIP3 259 -9.049 -10.979 22.243 0.00 0.00 WAT1 ATOM 2757 H2 TIP3 259 -8.513 -12.241 21.601 0.00 0.00 WAT1 ATOM 2758 OH2 TIP3 260 -8.820 -15.458 13.239 0.00 0.00 WAT1 ATOM 2759 H1 TIP3 260 -9.167 -14.840 13.884 0.00 0.00 WAT1 ATOM 2760 H2 TIP3 260 -8.162 -14.957 12.758 0.00 0.00 WAT1 ATOM 2761 OH2 TIP3 261 -12.535 -12.594 23.098 0.00 0.00 WAT1 ATOM 2762 H1 TIP3 261 -12.385 -13.323 22.495 0.00 0.00 WAT1 ATOM 2763 H2 TIP3 261 -12.533 -11.817 22.539 0.00 0.00 WAT1 ATOM 2764 OH2 TIP3 262 -12.123 -14.224 20.590 0.00 0.00 WAT1 ATOM 2765 H1 TIP3 262 -11.587 -13.773 19.938 0.00 0.00 WAT1 ATOM 2766 H2 TIP3 262 -12.975 -14.332 20.168 0.00 0.00 WAT1 ATOM 2767 OH2 TIP3 263 -6.125 -10.970 25.858 0.00 0.00 WAT1 ATOM 2768 H1 TIP3 263 -5.933 -11.901 25.747 0.00 0.00 WAT1 ATOM 2769 H2 TIP3 263 -5.268 -10.545 25.848 0.00 0.00 WAT1 ATOM 2770 OH2 TIP3 264 -10.053 -12.446 24.585 0.00 0.00 WAT1 ATOM 2771 H1 TIP3 264 -10.289 -12.666 25.487 0.00 0.00 WAT1 ATOM 2772 H2 TIP3 264 -10.836 -12.653 24.076 0.00 0.00 WAT1 ATOM 2773 OH2 TIP3 265 -7.337 -13.319 23.661 0.00 0.00 WAT1 ATOM 2774 H1 TIP3 265 -8.285 -13.287 23.793 0.00 0.00 WAT1 ATOM 2775 H2 TIP3 265 -7.025 -13.944 24.315 0.00 0.00 WAT1 ATOM 2776 OH2 TIP3 266 -11.095 -17.474 23.693 0.00 0.00 WAT1 ATOM 2777 H1 TIP3 266 -10.383 -18.114 23.679 0.00 0.00 WAT1 ATOM 2778 H2 TIP3 266 -11.196 -17.207 22.779 0.00 0.00 WAT1 ATOM 2779 OH2 TIP3 267 -10.742 -15.791 25.747 0.00 0.00 WAT1 ATOM 2780 H1 TIP3 267 -10.873 -16.267 24.926 0.00 0.00 WAT1 ATOM 2781 H2 TIP3 267 -11.341 -15.047 25.691 0.00 0.00 WAT1 ATOM 2782 OH2 TIP3 268 -0.850 -8.322 13.166 0.00 0.00 WAT1 ATOM 2783 H1 TIP3 268 -1.576 -8.801 13.564 0.00 0.00 WAT1 ATOM 2784 H2 TIP3 268 -0.269 -8.116 13.898 0.00 0.00 WAT1 ATOM 2785 OH2 TIP3 269 -0.582 -8.421 9.557 0.00 0.00 WAT1 ATOM 2786 H1 TIP3 269 -1.103 -8.064 8.838 0.00 0.00 WAT1 ATOM 2787 H2 TIP3 269 -0.615 -7.746 10.235 0.00 0.00 WAT1 ATOM 2788 OH2 TIP3 270 -0.710 -9.928 24.052 0.00 0.00 WAT1 ATOM 2789 H1 TIP3 270 -1.573 -10.307 23.887 0.00 0.00 WAT1 ATOM 2790 H2 TIP3 270 -0.106 -10.667 23.978 0.00 0.00 WAT1 ATOM 2791 OH2 TIP3 271 -2.741 -11.637 17.627 0.00 0.00 WAT1 ATOM 2792 H1 TIP3 271 -1.808 -11.425 17.593 0.00 0.00 WAT1 ATOM 2793 H2 TIP3 271 -2.976 -11.535 18.550 0.00 0.00 WAT1 ATOM 2794 OH2 TIP3 272 -2.712 -10.900 20.403 0.00 0.00 WAT1 ATOM 2795 H1 TIP3 272 -3.555 -10.632 20.769 0.00 0.00 WAT1 ATOM 2796 H2 TIP3 272 -2.269 -10.078 20.192 0.00 0.00 WAT1 ATOM 2797 OH2 TIP3 273 -0.429 -16.920 25.757 0.00 0.00 WAT1 ATOM 2798 H1 TIP3 273 -0.079 -17.574 25.151 0.00 0.00 WAT1 ATOM 2799 H2 TIP3 273 -0.282 -16.083 25.317 0.00 0.00 WAT1 ATOM 2800 OH2 TIP3 274 -2.739 -14.955 12.240 0.00 0.00 WAT1 ATOM 2801 H1 TIP3 274 -2.557 -15.404 13.065 0.00 0.00 WAT1 ATOM 2802 H2 TIP3 274 -3.339 -15.540 11.776 0.00 0.00 WAT1 ATOM 2803 OH2 TIP3 275 -0.909 -14.811 24.106 0.00 0.00 WAT1 ATOM 2804 H1 TIP3 275 -1.826 -14.540 24.070 0.00 0.00 WAT1 ATOM 2805 H2 TIP3 275 -0.786 -15.346 23.322 0.00 0.00 WAT1 ATOM 2806 OH2 TIP3 276 -0.873 -14.888 8.768 0.00 0.00 WAT1 ATOM 2807 H1 TIP3 276 -0.460 -15.609 8.292 0.00 0.00 WAT1 ATOM 2808 H2 TIP3 276 -0.191 -14.218 8.826 0.00 0.00 WAT1 ATOM 2809 OH2 TIP3 277 -8.478 -15.272 16.248 0.00 0.00 WAT1 ATOM 2810 H1 TIP3 277 -9.153 -15.901 16.503 0.00 0.00 WAT1 ATOM 2811 H2 TIP3 277 -7.914 -15.756 15.645 0.00 0.00 WAT1 ATOM 2812 OH2 TIP3 278 -1.609 -16.026 14.694 0.00 0.00 WAT1 ATOM 2813 H1 TIP3 278 -0.997 -16.540 14.167 0.00 0.00 WAT1 ATOM 2814 H2 TIP3 278 -1.226 -15.148 14.717 0.00 0.00 WAT1 ATOM 2815 OH2 TIP3 279 -11.572 -16.711 13.883 0.00 0.00 WAT1 ATOM 2816 H1 TIP3 279 -10.698 -16.323 13.853 0.00 0.00 WAT1 ATOM 2817 H2 TIP3 279 -11.708 -16.926 14.806 0.00 0.00 WAT1 ATOM 2818 OH2 TIP3 280 -6.015 -16.681 15.532 0.00 0.00 WAT1 ATOM 2819 H1 TIP3 280 -5.939 -16.586 14.583 0.00 0.00 WAT1 ATOM 2820 H2 TIP3 280 -6.291 -17.589 15.661 0.00 0.00 WAT1 ATOM 2821 OH2 TIP3 281 -4.662 -16.655 11.225 0.00 0.00 WAT1 ATOM 2822 H1 TIP3 281 -5.365 -16.041 11.015 0.00 0.00 WAT1 ATOM 2823 H2 TIP3 281 -5.107 -17.493 11.356 0.00 0.00 WAT1 ATOM 2824 OH2 TIP3 282 -14.221 -16.773 25.123 0.00 0.00 WAT1 ATOM 2825 H1 TIP3 282 -13.322 -17.047 24.938 0.00 0.00 WAT1 ATOM 2826 H2 TIP3 282 -14.607 -17.516 25.587 0.00 0.00 WAT1 ATOM 2827 OH2 TIP3 283 -1.088 -14.193 37.570 0.00 0.00 WAT1 ATOM 2828 H1 TIP3 283 -1.039 -13.583 38.306 0.00 0.00 WAT1 ATOM 2829 H2 TIP3 283 -0.662 -13.732 36.847 0.00 0.00 WAT1 ATOM 2830 OH2 TIP3 284 -3.969 -13.877 34.691 0.00 0.00 WAT1 ATOM 2831 H1 TIP3 284 -4.184 -14.643 35.223 0.00 0.00 WAT1 ATOM 2832 H2 TIP3 284 -3.313 -13.405 35.204 0.00 0.00 WAT1 ATOM 2833 OH2 TIP3 285 -9.025 -13.957 27.273 0.00 0.00 WAT1 ATOM 2834 H1 TIP3 285 -9.279 -13.938 28.196 0.00 0.00 WAT1 ATOM 2835 H2 TIP3 285 -9.282 -14.829 26.972 0.00 0.00 WAT1 ATOM 2836 OH2 TIP3 286 -12.143 -13.512 26.374 0.00 0.00 WAT1 ATOM 2837 H1 TIP3 286 -12.574 -13.957 27.104 0.00 0.00 WAT1 ATOM 2838 H2 TIP3 286 -12.861 -13.140 25.862 0.00 0.00 WAT1 ATOM 2839 OH2 TIP3 287 -6.292 -13.355 27.892 0.00 0.00 WAT1 ATOM 2840 H1 TIP3 287 -7.230 -13.243 27.741 0.00 0.00 WAT1 ATOM 2841 H2 TIP3 287 -5.995 -12.498 28.198 0.00 0.00 WAT1 ATOM 2842 OH2 TIP3 288 -0.689 -11.278 29.247 0.00 0.00 WAT1 ATOM 2843 H1 TIP3 288 -1.243 -11.674 28.575 0.00 0.00 WAT1 ATOM 2844 H2 TIP3 288 -0.588 -10.368 28.970 0.00 0.00 WAT1 ATOM 2845 OH2 TIP3 289 -6.904 -14.267 30.322 0.00 0.00 WAT1 ATOM 2846 H1 TIP3 289 -6.684 -13.795 29.519 0.00 0.00 WAT1 ATOM 2847 H2 TIP3 289 -6.346 -13.872 30.993 0.00 0.00 WAT1 ATOM 2848 OH2 TIP3 290 -2.985 -13.773 26.081 0.00 0.00 WAT1 ATOM 2849 H1 TIP3 290 -2.375 -14.145 26.718 0.00 0.00 WAT1 ATOM 2850 H2 TIP3 290 -3.822 -14.195 26.277 0.00 0.00 WAT1 ATOM 2851 OH2 TIP3 291 -3.353 -12.218 31.047 0.00 0.00 WAT1 ATOM 2852 H1 TIP3 291 -3.073 -13.125 31.172 0.00 0.00 WAT1 ATOM 2853 H2 TIP3 291 -2.594 -11.784 30.658 0.00 0.00 WAT1 ATOM 2854 OH2 TIP3 292 -2.739 -14.955 31.096 0.00 0.00 WAT1 ATOM 2855 H1 TIP3 292 -2.557 -15.404 31.921 0.00 0.00 WAT1 ATOM 2856 H2 TIP3 292 -3.339 -15.540 30.632 0.00 0.00 WAT1 ATOM 2857 OH2 TIP3 293 -0.873 -14.888 27.624 0.00 0.00 WAT1 ATOM 2858 H1 TIP3 293 -0.460 -15.609 27.148 0.00 0.00 WAT1 ATOM 2859 H2 TIP3 293 -0.191 -14.218 27.682 0.00 0.00 WAT1 ATOM 2860 OH2 TIP3 294 -3.336 -17.165 35.216 0.00 0.00 WAT1 ATOM 2861 H1 TIP3 294 -2.732 -16.617 34.715 0.00 0.00 WAT1 ATOM 2862 H2 TIP3 294 -4.205 -16.845 34.976 0.00 0.00 WAT1 ATOM 2863 OH2 TIP3 295 -1.609 -16.026 33.550 0.00 0.00 WAT1 ATOM 2864 H1 TIP3 295 -0.997 -16.540 33.023 0.00 0.00 WAT1 ATOM 2865 H2 TIP3 295 -1.226 -15.148 33.573 0.00 0.00 WAT1 ATOM 2866 OH2 TIP3 296 -6.015 -16.681 34.388 0.00 0.00 WAT1 ATOM 2867 H1 TIP3 296 -5.939 -16.586 33.439 0.00 0.00 WAT1 ATOM 2868 H2 TIP3 296 -6.291 -17.589 34.517 0.00 0.00 WAT1 ATOM 2869 OH2 TIP3 297 -4.662 -16.655 30.081 0.00 0.00 WAT1 ATOM 2870 H1 TIP3 297 -5.365 -16.041 29.871 0.00 0.00 WAT1 ATOM 2871 H2 TIP3 297 -5.107 -17.493 30.212 0.00 0.00 WAT1 ATOM 2872 OH2 TIP3 298 -10.428 -14.631 29.629 0.00 0.00 WAT1 ATOM 2873 H1 TIP3 298 -10.250 -15.277 30.312 0.00 0.00 WAT1 ATOM 2874 H2 TIP3 298 -10.482 -13.797 30.096 0.00 0.00 WAT1 ATOM 2875 OH2 TIP3 299 11.783 -45.194 14.028 0.00 0.00 WAT1 ATOM 2876 H1 TIP3 299 11.872 -44.250 13.896 0.00 0.00 WAT1 ATOM 2877 H2 TIP3 299 11.144 -45.469 13.370 0.00 0.00 WAT1 ATOM 2878 OH2 TIP3 300 10.716 -45.939 17.447 0.00 0.00 WAT1 ATOM 2879 H1 TIP3 300 10.678 -46.585 18.152 0.00 0.00 WAT1 ATOM 2880 H2 TIP3 300 10.393 -46.405 16.676 0.00 0.00 WAT1 ATOM 2881 OH2 TIP3 301 3.084 -46.324 19.040 0.00 0.00 WAT1 ATOM 2882 H1 TIP3 301 3.126 -46.950 19.764 0.00 0.00 WAT1 ATOM 2883 H2 TIP3 301 3.787 -45.701 19.222 0.00 0.00 WAT1 ATOM 2884 OH2 TIP3 302 1.328 -46.052 15.094 0.00 0.00 WAT1 ATOM 2885 H1 TIP3 302 1.542 -46.822 15.621 0.00 0.00 WAT1 ATOM 2886 H2 TIP3 302 2.066 -45.963 14.491 0.00 0.00 WAT1 ATOM 2887 OH2 TIP3 303 9.105 -43.506 17.853 0.00 0.00 WAT1 ATOM 2888 H1 TIP3 303 9.409 -44.192 17.259 0.00 0.00 WAT1 ATOM 2889 H2 TIP3 303 9.827 -43.388 18.471 0.00 0.00 WAT1 ATOM 2890 OH2 TIP3 304 12.246 -49.112 18.181 0.00 0.00 WAT1 ATOM 2891 H1 TIP3 304 12.389 -50.059 18.201 0.00 0.00 WAT1 ATOM 2892 H2 TIP3 304 12.140 -48.905 17.252 0.00 0.00 WAT1 ATOM 2893 OH2 TIP3 305 11.580 -42.593 13.071 0.00 0.00 WAT1 ATOM 2894 H1 TIP3 305 11.284 -42.915 12.220 0.00 0.00 WAT1 ATOM 2895 H2 TIP3 305 11.256 -41.693 13.113 0.00 0.00 WAT1 ATOM 2896 OH2 TIP3 306 6.780 -44.417 19.815 0.00 0.00 WAT1 ATOM 2897 H1 TIP3 306 6.040 -43.819 19.918 0.00 0.00 WAT1 ATOM 2898 H2 TIP3 306 7.494 -43.863 19.499 0.00 0.00 WAT1 ATOM 2899 OH2 TIP3 307 1.309 -42.782 11.384 0.00 0.00 WAT1 ATOM 2900 H1 TIP3 307 1.037 -42.553 10.495 0.00 0.00 WAT1 ATOM 2901 H2 TIP3 307 1.354 -41.944 11.844 0.00 0.00 WAT1 ATOM 2902 OH2 TIP3 308 14.345 -41.478 13.231 0.00 0.00 WAT1 ATOM 2903 H1 TIP3 308 14.088 -42.168 12.619 0.00 0.00 WAT1 ATOM 2904 H2 TIP3 308 14.416 -41.921 14.076 0.00 0.00 WAT1 ATOM 2905 OH2 TIP3 309 17.873 -46.572 19.774 0.00 0.00 WAT1 ATOM 2906 H1 TIP3 309 17.221 -45.877 19.863 0.00 0.00 WAT1 ATOM 2907 H2 TIP3 309 18.338 -46.362 18.964 0.00 0.00 WAT1 ATOM 2908 OH2 TIP3 310 13.910 -45.740 12.432 0.00 0.00 WAT1 ATOM 2909 H1 TIP3 310 13.178 -45.512 13.005 0.00 0.00 WAT1 ATOM 2910 H2 TIP3 310 14.357 -46.454 12.887 0.00 0.00 WAT1 ATOM 2911 OH2 TIP3 311 13.807 -47.566 21.500 0.00 0.00 WAT1 ATOM 2912 H1 TIP3 311 13.887 -46.803 22.072 0.00 0.00 WAT1 ATOM 2913 H2 TIP3 311 13.206 -47.287 20.809 0.00 0.00 WAT1 ATOM 2914 OH2 TIP3 312 5.555 -45.110 14.315 0.00 0.00 WAT1 ATOM 2915 H1 TIP3 312 5.225 -45.480 13.496 0.00 0.00 WAT1 ATOM 2916 H2 TIP3 312 6.143 -45.780 14.661 0.00 0.00 WAT1 ATOM 2917 OH2 TIP3 313 5.922 -46.341 17.948 0.00 0.00 WAT1 ATOM 2918 H1 TIP3 313 6.487 -46.220 17.185 0.00 0.00 WAT1 ATOM 2919 H2 TIP3 313 6.241 -45.704 18.587 0.00 0.00 WAT1 ATOM 2920 OH2 TIP3 314 3.722 -45.744 21.894 0.00 0.00 WAT1 ATOM 2921 H1 TIP3 314 3.792 -45.093 22.592 0.00 0.00 WAT1 ATOM 2922 H2 TIP3 314 2.831 -45.641 21.559 0.00 0.00 WAT1 ATOM 2923 OH2 TIP3 315 10.507 -39.841 13.552 0.00 0.00 WAT1 ATOM 2924 H1 TIP3 315 10.981 -39.546 14.330 0.00 0.00 WAT1 ATOM 2925 H2 TIP3 315 9.944 -39.103 13.319 0.00 0.00 WAT1 ATOM 2926 OH2 TIP3 316 17.669 -40.462 8.307 0.00 0.00 WAT1 ATOM 2927 H1 TIP3 316 17.742 -39.523 8.477 0.00 0.00 WAT1 ATOM 2928 H2 TIP3 316 18.574 -40.767 8.250 0.00 0.00 WAT1 ATOM 2929 OH2 TIP3 317 13.081 -37.731 8.970 0.00 0.00 WAT1 ATOM 2930 H1 TIP3 317 13.456 -38.475 8.499 0.00 0.00 WAT1 ATOM 2931 H2 TIP3 317 13.085 -38.001 9.888 0.00 0.00 WAT1 ATOM 2932 OH2 TIP3 318 15.738 -48.738 23.765 0.00 0.00 WAT1 ATOM 2933 H1 TIP3 318 15.331 -48.257 23.045 0.00 0.00 WAT1 ATOM 2934 H2 TIP3 318 15.779 -49.643 23.458 0.00 0.00 WAT1 ATOM 2935 OH2 TIP3 319 13.495 -50.406 21.986 0.00 0.00 WAT1 ATOM 2936 H1 TIP3 319 12.981 -50.532 22.783 0.00 0.00 WAT1 ATOM 2937 H2 TIP3 319 13.340 -49.494 21.741 0.00 0.00 WAT1 ATOM 2938 OH2 TIP3 320 3.347 -48.598 20.720 0.00 0.00 WAT1 ATOM 2939 H1 TIP3 320 3.309 -48.198 21.588 0.00 0.00 WAT1 ATOM 2940 H2 TIP3 320 2.856 -49.415 20.810 0.00 0.00 WAT1 ATOM 2941 OH2 TIP3 321 11.398 -47.197 20.067 0.00 0.00 WAT1 ATOM 2942 H1 TIP3 321 11.722 -47.828 19.424 0.00 0.00 WAT1 ATOM 2943 H2 TIP3 321 10.958 -47.732 20.728 0.00 0.00 WAT1 ATOM 2944 OH2 TIP3 322 3.466 -43.889 24.000 0.00 0.00 WAT1 ATOM 2945 H1 TIP3 322 4.199 -43.635 24.561 0.00 0.00 WAT1 ATOM 2946 H2 TIP3 322 2.686 -43.685 24.515 0.00 0.00 WAT1 ATOM 2947 OH2 TIP3 323 9.496 -48.482 16.738 0.00 0.00 WAT1 ATOM 2948 H1 TIP3 323 10.060 -49.029 16.191 0.00 0.00 WAT1 ATOM 2949 H2 TIP3 323 9.348 -49.004 17.527 0.00 0.00 WAT1 ATOM 2950 OH2 TIP3 324 15.816 -44.748 19.623 0.00 0.00 WAT1 ATOM 2951 H1 TIP3 324 16.458 -44.291 19.080 0.00 0.00 WAT1 ATOM 2952 H2 TIP3 324 14.986 -44.635 19.161 0.00 0.00 WAT1 ATOM 2953 OH2 TIP3 325 3.791 -44.586 16.606 0.00 0.00 WAT1 ATOM 2954 H1 TIP3 325 4.536 -44.588 16.005 0.00 0.00 WAT1 ATOM 2955 H2 TIP3 325 3.869 -45.410 17.088 0.00 0.00 WAT1 ATOM 2956 OH2 TIP3 326 10.792 -42.422 9.862 0.00 0.00 WAT1 ATOM 2957 H1 TIP3 326 10.497 -41.596 10.244 0.00 0.00 WAT1 ATOM 2958 H2 TIP3 326 10.089 -43.042 10.058 0.00 0.00 WAT1 ATOM 2959 OH2 TIP3 327 0.799 -46.125 21.921 0.00 0.00 WAT1 ATOM 2960 H1 TIP3 327 1.022 -46.543 22.753 0.00 0.00 WAT1 ATOM 2961 H2 TIP3 327 0.197 -46.738 21.499 0.00 0.00 WAT1 ATOM 2962 OH2 TIP3 328 16.463 -40.204 10.856 0.00 0.00 WAT1 ATOM 2963 H1 TIP3 328 16.090 -41.030 11.166 0.00 0.00 WAT1 ATOM 2964 H2 TIP3 328 16.740 -40.387 9.959 0.00 0.00 WAT1 ATOM 2965 OH2 TIP3 329 13.623 -45.396 17.878 0.00 0.00 WAT1 ATOM 2966 H1 TIP3 329 12.695 -45.628 17.851 0.00 0.00 WAT1 ATOM 2967 H2 TIP3 329 14.074 -46.173 17.548 0.00 0.00 WAT1 ATOM 2968 OH2 TIP3 330 6.166 -41.068 14.011 0.00 0.00 WAT1 ATOM 2969 H1 TIP3 330 6.693 -40.295 13.810 0.00 0.00 WAT1 ATOM 2970 H2 TIP3 330 5.286 -40.843 13.709 0.00 0.00 WAT1 ATOM 2971 OH2 TIP3 331 7.593 -43.405 13.587 0.00 0.00 WAT1 ATOM 2972 H1 TIP3 331 7.352 -42.480 13.629 0.00 0.00 WAT1 ATOM 2973 H2 TIP3 331 6.853 -43.864 13.983 0.00 0.00 WAT1 ATOM 2974 OH2 TIP3 332 18.359 -37.748 8.878 0.00 0.00 WAT1 ATOM 2975 H1 TIP3 332 19.102 -37.162 8.738 0.00 0.00 WAT1 ATOM 2976 H2 TIP3 332 17.664 -37.180 9.211 0.00 0.00 WAT1 ATOM 2977 OH2 TIP3 333 14.721 -43.555 10.903 0.00 0.00 WAT1 ATOM 2978 H1 TIP3 333 14.444 -44.283 11.459 0.00 0.00 WAT1 ATOM 2979 H2 TIP3 333 15.648 -43.436 11.109 0.00 0.00 WAT1 ATOM 2980 OH2 TIP3 334 6.883 -41.546 9.580 0.00 0.00 WAT1 ATOM 2981 H1 TIP3 334 7.030 -42.066 10.370 0.00 0.00 WAT1 ATOM 2982 H2 TIP3 334 6.880 -40.639 9.886 0.00 0.00 WAT1 ATOM 2983 OH2 TIP3 335 9.621 -39.848 10.329 0.00 0.00 WAT1 ATOM 2984 H1 TIP3 335 8.804 -39.351 10.382 0.00 0.00 WAT1 ATOM 2985 H2 TIP3 335 10.150 -39.373 9.689 0.00 0.00 WAT1 ATOM 2986 OH2 TIP3 336 9.688 -49.265 21.486 0.00 0.00 WAT1 ATOM 2987 H1 TIP3 336 9.807 -48.691 22.243 0.00 0.00 WAT1 ATOM 2988 H2 TIP3 336 10.343 -49.953 21.601 0.00 0.00 WAT1 ATOM 2989 OH2 TIP3 337 6.959 -38.805 10.311 0.00 0.00 WAT1 ATOM 2990 H1 TIP3 337 7.120 -38.005 9.810 0.00 0.00 WAT1 ATOM 2991 H2 TIP3 337 6.762 -38.498 11.196 0.00 0.00 WAT1 ATOM 2992 OH2 TIP3 338 14.494 -47.607 16.417 0.00 0.00 WAT1 ATOM 2993 H1 TIP3 338 13.697 -48.022 16.088 0.00 0.00 WAT1 ATOM 2994 H2 TIP3 338 14.939 -48.298 16.908 0.00 0.00 WAT1 ATOM 2995 OH2 TIP3 339 2.006 -40.293 12.937 0.00 0.00 WAT1 ATOM 2996 H1 TIP3 339 1.174 -39.820 12.964 0.00 0.00 WAT1 ATOM 2997 H2 TIP3 339 2.552 -39.783 12.338 0.00 0.00 WAT1 ATOM 2998 OH2 TIP3 340 14.588 -39.436 7.496 0.00 0.00 WAT1 ATOM 2999 H1 TIP3 340 14.871 -40.230 7.949 0.00 0.00 WAT1 ATOM 3000 H2 TIP3 340 15.328 -39.203 6.935 0.00 0.00 WAT1 ATOM 3001 OH2 TIP3 341 1.202 -43.870 25.221 0.00 0.00 WAT1 ATOM 3002 H1 TIP3 341 1.346 -44.772 24.935 0.00 0.00 WAT1 ATOM 3003 H2 TIP3 341 0.429 -43.584 24.733 0.00 0.00 WAT1 ATOM 3004 OH2 TIP3 342 2.034 -46.670 24.641 0.00 0.00 WAT1 ATOM 3005 H1 TIP3 342 2.442 -47.527 24.520 0.00 0.00 WAT1 ATOM 3006 H2 TIP3 342 1.774 -46.655 25.562 0.00 0.00 WAT1 ATOM 3007 OH2 TIP3 343 5.981 -47.661 22.015 0.00 0.00 WAT1 ATOM 3008 H1 TIP3 343 5.363 -46.986 22.296 0.00 0.00 WAT1 ATOM 3009 H2 TIP3 343 6.325 -47.340 21.182 0.00 0.00 WAT1 ATOM 3010 OH2 TIP3 344 6.321 -50.306 23.098 0.00 0.00 WAT1 ATOM 3011 H1 TIP3 344 6.471 -51.035 22.495 0.00 0.00 WAT1 ATOM 3012 H2 TIP3 344 6.323 -49.529 22.539 0.00 0.00 WAT1 ATOM 3013 OH2 TIP3 345 8.315 -46.497 20.830 0.00 0.00 WAT1 ATOM 3014 H1 TIP3 345 9.066 -46.653 20.257 0.00 0.00 WAT1 ATOM 3015 H2 TIP3 345 7.976 -45.645 20.554 0.00 0.00 WAT1 ATOM 3016 OH2 TIP3 346 12.731 -48.682 25.858 0.00 0.00 WAT1 ATOM 3017 H1 TIP3 346 12.923 -49.613 25.747 0.00 0.00 WAT1 ATOM 3018 H2 TIP3 346 13.588 -48.257 25.848 0.00 0.00 WAT1 ATOM 3019 OH2 TIP3 347 4.799 -49.108 25.009 0.00 0.00 WAT1 ATOM 3020 H1 TIP3 347 4.032 -49.640 24.799 0.00 0.00 WAT1 ATOM 3021 H2 TIP3 347 5.478 -49.418 24.410 0.00 0.00 WAT1 ATOM 3022 OH2 TIP3 348 8.803 -50.158 24.585 0.00 0.00 WAT1 ATOM 3023 H1 TIP3 348 8.567 -50.378 25.487 0.00 0.00 WAT1 ATOM 3024 H2 TIP3 348 8.020 -50.365 24.076 0.00 0.00 WAT1 ATOM 3025 OH2 TIP3 349 11.519 -51.031 23.661 0.00 0.00 WAT1 ATOM 3026 H1 TIP3 349 10.571 -50.999 23.793 0.00 0.00 WAT1 ATOM 3027 H2 TIP3 349 11.831 -51.656 24.315 0.00 0.00 WAT1 ATOM 3028 OH2 TIP3 350 7.661 -36.620 8.923 0.00 0.00 WAT1 ATOM 3029 H1 TIP3 350 8.594 -36.462 9.067 0.00 0.00 WAT1 ATOM 3030 H2 TIP3 350 7.397 -35.945 8.298 0.00 0.00 WAT1 ATOM 3031 OH2 TIP3 351 17.612 -44.087 11.342 0.00 0.00 WAT1 ATOM 3032 H1 TIP3 351 18.462 -43.666 11.470 0.00 0.00 WAT1 ATOM 3033 H2 TIP3 351 17.617 -44.827 11.950 0.00 0.00 WAT1 ATOM 3034 OH2 TIP3 352 18.006 -46.034 13.166 0.00 0.00 WAT1 ATOM 3035 H1 TIP3 352 17.280 -46.513 13.564 0.00 0.00 WAT1 ATOM 3036 H2 TIP3 352 18.587 -45.828 13.898 0.00 0.00 WAT1 ATOM 3037 OH2 TIP3 353 17.765 -43.249 18.114 0.00 0.00 WAT1 ATOM 3038 H1 TIP3 353 18.599 -43.627 17.833 0.00 0.00 WAT1 ATOM 3039 H2 TIP3 353 17.877 -42.306 17.995 0.00 0.00 WAT1 ATOM 3040 OH2 TIP3 354 0.828 -45.435 17.739 0.00 0.00 WAT1 ATOM 3041 H1 TIP3 354 1.012 -45.517 16.804 0.00 0.00 WAT1 ATOM 3042 H2 TIP3 354 1.677 -45.559 18.163 0.00 0.00 WAT1 ATOM 3043 OH2 TIP3 355 18.146 -47.640 24.052 0.00 0.00 WAT1 ATOM 3044 H1 TIP3 355 17.283 -48.019 23.887 0.00 0.00 WAT1 ATOM 3045 H2 TIP3 355 18.750 -48.379 23.978 0.00 0.00 WAT1 ATOM 3046 OH2 TIP3 356 16.144 -48.612 20.403 0.00 0.00 WAT1 ATOM 3047 H1 TIP3 356 15.301 -48.344 20.769 0.00 0.00 WAT1 ATOM 3048 H2 TIP3 356 16.587 -47.790 20.192 0.00 0.00 WAT1 ATOM 3049 OH2 TIP3 357 -0.049 -48.853 17.840 0.00 0.00 WAT1 ATOM 3050 H1 TIP3 357 0.443 -49.074 17.050 0.00 0.00 WAT1 ATOM 3051 H2 TIP3 357 0.313 -48.012 18.121 0.00 0.00 WAT1 ATOM 3052 OH2 TIP3 358 1.442 -38.604 10.771 0.00 0.00 WAT1 ATOM 3053 H1 TIP3 358 0.757 -38.642 10.103 0.00 0.00 WAT1 ATOM 3054 H2 TIP3 358 1.445 -37.691 11.059 0.00 0.00 WAT1 ATOM 3055 OH2 TIP3 359 10.306 -37.394 9.168 0.00 0.00 WAT1 ATOM 3056 H1 TIP3 359 11.172 -37.028 8.990 0.00 0.00 WAT1 ATOM 3057 H2 TIP3 359 10.059 -37.834 8.355 0.00 0.00 WAT1 ATOM 3058 OH2 TIP3 360 3.260 -37.684 7.796 0.00 0.00 WAT1 ATOM 3059 H1 TIP3 360 2.992 -37.397 8.669 0.00 0.00 WAT1 ATOM 3060 H2 TIP3 360 4.031 -38.230 7.948 0.00 0.00 WAT1 ATOM 3061 OH2 TIP3 361 11.783 -45.194 32.884 0.00 0.00 WAT1 ATOM 3062 H1 TIP3 361 11.872 -44.250 32.752 0.00 0.00 WAT1 ATOM 3063 H2 TIP3 361 11.144 -45.469 32.226 0.00 0.00 WAT1 ATOM 3064 OH2 TIP3 362 10.716 -45.939 36.303 0.00 0.00 WAT1 ATOM 3065 H1 TIP3 362 10.678 -46.585 37.008 0.00 0.00 WAT1 ATOM 3066 H2 TIP3 362 10.393 -46.405 35.532 0.00 0.00 WAT1 ATOM 3067 OH2 TIP3 363 3.084 -46.324 37.896 0.00 0.00 WAT1 ATOM 3068 H1 TIP3 363 3.126 -46.950 38.620 0.00 0.00 WAT1 ATOM 3069 H2 TIP3 363 3.787 -45.701 38.078 0.00 0.00 WAT1 ATOM 3070 OH2 TIP3 364 0.618 -48.214 31.824 0.00 0.00 WAT1 ATOM 3071 H1 TIP3 364 0.170 -47.368 31.806 0.00 0.00 WAT1 ATOM 3072 H2 TIP3 364 0.057 -48.794 31.309 0.00 0.00 WAT1 ATOM 3073 OH2 TIP3 365 12.246 -49.112 37.037 0.00 0.00 WAT1 ATOM 3074 H1 TIP3 365 12.389 -50.059 37.057 0.00 0.00 WAT1 ATOM 3075 H2 TIP3 365 12.140 -48.905 36.108 0.00 0.00 WAT1 ATOM 3076 OH2 TIP3 366 2.021 -48.614 35.071 0.00 0.00 WAT1 ATOM 3077 H1 TIP3 366 2.675 -49.164 35.503 0.00 0.00 WAT1 ATOM 3078 H2 TIP3 366 2.045 -48.888 34.155 0.00 0.00 WAT1 ATOM 3079 OH2 TIP3 367 7.177 -47.064 34.287 0.00 0.00 WAT1 ATOM 3080 H1 TIP3 367 7.793 -47.590 34.796 0.00 0.00 WAT1 ATOM 3081 H2 TIP3 367 6.591 -47.704 33.883 0.00 0.00 WAT1 ATOM 3082 OH2 TIP3 368 18.160 -50.427 39.806 0.00 0.00 WAT1 ATOM 3083 H1 TIP3 368 17.471 -49.769 39.711 0.00 0.00 WAT1 ATOM 3084 H2 TIP3 368 18.175 -50.624 40.743 0.00 0.00 WAT1 ATOM 3085 OH2 TIP3 369 6.780 -44.417 38.671 0.00 0.00 WAT1 ATOM 3086 H1 TIP3 369 6.040 -43.819 38.774 0.00 0.00 WAT1 ATOM 3087 H2 TIP3 369 7.494 -43.863 38.355 0.00 0.00 WAT1 ATOM 3088 OH2 TIP3 370 10.504 -45.950 30.336 0.00 0.00 WAT1 ATOM 3089 H1 TIP3 370 9.792 -45.415 29.985 0.00 0.00 WAT1 ATOM 3090 H2 TIP3 370 11.195 -45.894 29.676 0.00 0.00 WAT1 ATOM 3091 OH2 TIP3 371 13.910 -45.740 31.288 0.00 0.00 WAT1 ATOM 3092 H1 TIP3 371 13.178 -45.512 31.861 0.00 0.00 WAT1 ATOM 3093 H2 TIP3 371 14.357 -46.454 31.743 0.00 0.00 WAT1 ATOM 3094 OH2 TIP3 372 13.807 -47.566 40.356 0.00 0.00 WAT1 ATOM 3095 H1 TIP3 372 13.887 -46.803 40.928 0.00 0.00 WAT1 ATOM 3096 H2 TIP3 372 13.206 -47.287 39.665 0.00 0.00 WAT1 ATOM 3097 OH2 TIP3 373 5.922 -46.341 36.804 0.00 0.00 WAT1 ATOM 3098 H1 TIP3 373 6.487 -46.220 36.041 0.00 0.00 WAT1 ATOM 3099 H2 TIP3 373 6.241 -45.704 37.443 0.00 0.00 WAT1 ATOM 3100 OH2 TIP3 374 12.781 -46.578 28.973 0.00 0.00 WAT1 ATOM 3101 H1 TIP3 374 13.360 -46.428 29.720 0.00 0.00 WAT1 ATOM 3102 H2 TIP3 374 13.195 -46.107 28.250 0.00 0.00 WAT1 ATOM 3103 OH2 TIP3 375 3.722 -45.744 40.750 0.00 0.00 WAT1 ATOM 3104 H1 TIP3 375 3.792 -45.093 41.448 0.00 0.00 WAT1 ATOM 3105 H2 TIP3 375 2.831 -45.641 40.415 0.00 0.00 WAT1 ATOM 3106 OH2 TIP3 376 0.638 -43.677 39.575 0.00 0.00 WAT1 ATOM 3107 H1 TIP3 376 0.137 -43.705 38.760 0.00 0.00 WAT1 ATOM 3108 H2 TIP3 376 0.644 -44.583 39.885 0.00 0.00 WAT1 ATOM 3109 OH2 TIP3 377 15.738 -48.738 42.621 0.00 0.00 WAT1 ATOM 3110 H1 TIP3 377 15.331 -48.257 41.901 0.00 0.00 WAT1 ATOM 3111 H2 TIP3 377 15.779 -49.643 42.314 0.00 0.00 WAT1 ATOM 3112 OH2 TIP3 378 2.887 -42.354 40.618 0.00 0.00 WAT1 ATOM 3113 H1 TIP3 378 3.104 -42.715 41.478 0.00 0.00 WAT1 ATOM 3114 H2 TIP3 378 2.032 -42.728 40.408 0.00 0.00 WAT1 ATOM 3115 OH2 TIP3 379 9.831 -51.669 27.273 0.00 0.00 WAT1 ATOM 3116 H1 TIP3 379 9.577 -51.650 28.196 0.00 0.00 WAT1 ATOM 3117 H2 TIP3 379 9.574 -52.541 26.972 0.00 0.00 WAT1 ATOM 3118 OH2 TIP3 380 5.594 -48.697 32.621 0.00 0.00 WAT1 ATOM 3119 H1 TIP3 380 4.701 -49.038 32.562 0.00 0.00 WAT1 ATOM 3120 H2 TIP3 380 6.045 -49.074 31.865 0.00 0.00 WAT1 ATOM 3121 OH2 TIP3 381 11.130 -48.281 31.438 0.00 0.00 WAT1 ATOM 3122 H1 TIP3 381 10.721 -47.466 31.146 0.00 0.00 WAT1 ATOM 3123 H2 TIP3 381 11.850 -48.421 30.823 0.00 0.00 WAT1 ATOM 3124 OH2 TIP3 382 12.134 -48.835 34.252 0.00 0.00 WAT1 ATOM 3125 H1 TIP3 382 11.939 -48.230 33.537 0.00 0.00 WAT1 ATOM 3126 H2 TIP3 382 12.316 -49.669 33.817 0.00 0.00 WAT1 ATOM 3127 OH2 TIP3 383 6.713 -51.224 26.374 0.00 0.00 WAT1 ATOM 3128 H1 TIP3 383 6.282 -51.669 27.104 0.00 0.00 WAT1 ATOM 3129 H2 TIP3 383 5.995 -50.852 25.862 0.00 0.00 WAT1 ATOM 3130 OH2 TIP3 384 1.230 -50.736 28.850 0.00 0.00 WAT1 ATOM 3131 H1 TIP3 384 1.704 -50.145 28.265 0.00 0.00 WAT1 ATOM 3132 H2 TIP3 384 0.512 -50.205 29.197 0.00 0.00 WAT1 ATOM 3133 OH2 TIP3 385 11.398 -47.197 38.923 0.00 0.00 WAT1 ATOM 3134 H1 TIP3 385 11.722 -47.828 38.280 0.00 0.00 WAT1 ATOM 3135 H2 TIP3 385 10.958 -47.732 39.584 0.00 0.00 WAT1 ATOM 3136 OH2 TIP3 386 3.004 -49.641 32.534 0.00 0.00 WAT1 ATOM 3137 H1 TIP3 386 2.115 -49.541 32.194 0.00 0.00 WAT1 ATOM 3138 H2 TIP3 386 3.300 -50.483 32.188 0.00 0.00 WAT1 ATOM 3139 OH2 TIP3 387 6.657 -49.641 30.190 0.00 0.00 WAT1 ATOM 3140 H1 TIP3 387 7.589 -49.512 30.368 0.00 0.00 WAT1 ATOM 3141 H2 TIP3 387 6.442 -48.971 29.541 0.00 0.00 WAT1 ATOM 3142 OH2 TIP3 388 5.331 -48.446 27.757 0.00 0.00 WAT1 ATOM 3143 H1 TIP3 388 4.789 -48.826 27.066 0.00 0.00 WAT1 ATOM 3144 H2 TIP3 388 6.165 -48.252 27.328 0.00 0.00 WAT1 ATOM 3145 OH2 TIP3 389 3.466 -43.889 42.856 0.00 0.00 WAT1 ATOM 3146 H1 TIP3 389 4.199 -43.635 43.417 0.00 0.00 WAT1 ATOM 3147 H2 TIP3 389 2.686 -43.685 43.371 0.00 0.00 WAT1 ATOM 3148 OH2 TIP3 390 9.496 -48.482 35.594 0.00 0.00 WAT1 ATOM 3149 H1 TIP3 390 10.060 -49.029 35.047 0.00 0.00 WAT1 ATOM 3150 H2 TIP3 390 9.348 -49.004 36.383 0.00 0.00 WAT1 ATOM 3151 OH2 TIP3 391 12.564 -51.067 27.892 0.00 0.00 WAT1 ATOM 3152 H1 TIP3 391 11.626 -50.955 27.741 0.00 0.00 WAT1 ATOM 3153 H2 TIP3 391 12.861 -50.210 28.198 0.00 0.00 WAT1 ATOM 3154 OH2 TIP3 392 10.186 -43.697 40.930 0.00 0.00 WAT1 ATOM 3155 H1 TIP3 392 9.840 -44.078 41.736 0.00 0.00 WAT1 ATOM 3156 H2 TIP3 392 9.986 -42.763 41.001 0.00 0.00 WAT1 ATOM 3157 OH2 TIP3 393 13.282 -49.200 29.553 0.00 0.00 WAT1 ATOM 3158 H1 TIP3 393 14.174 -49.337 29.872 0.00 0.00 WAT1 ATOM 3159 H2 TIP3 393 13.339 -48.409 29.016 0.00 0.00 WAT1 ATOM 3160 OH2 TIP3 394 3.791 -44.586 35.462 0.00 0.00 WAT1 ATOM 3161 H1 TIP3 394 4.536 -44.588 34.861 0.00 0.00 WAT1 ATOM 3162 H2 TIP3 394 3.869 -45.410 35.944 0.00 0.00 WAT1 ATOM 3163 OH2 TIP3 395 0.799 -46.125 40.777 0.00 0.00 WAT1 ATOM 3164 H1 TIP3 395 1.022 -46.543 41.609 0.00 0.00 WAT1 ATOM 3165 H2 TIP3 395 0.197 -46.738 40.355 0.00 0.00 WAT1 ATOM 3166 OH2 TIP3 396 7.816 -46.608 42.990 0.00 0.00 WAT1 ATOM 3167 H1 TIP3 396 7.520 -46.774 42.095 0.00 0.00 WAT1 ATOM 3168 H2 TIP3 396 8.747 -46.828 42.980 0.00 0.00 WAT1 ATOM 3169 OH2 TIP3 397 18.167 -48.990 29.247 0.00 0.00 WAT1 ATOM 3170 H1 TIP3 397 17.613 -49.386 28.575 0.00 0.00 WAT1 ATOM 3171 H2 TIP3 397 18.268 -48.080 28.970 0.00 0.00 WAT1 ATOM 3172 OH2 TIP3 398 1.921 -46.206 27.454 0.00 0.00 WAT1 ATOM 3173 H1 TIP3 398 2.537 -45.579 27.833 0.00 0.00 WAT1 ATOM 3174 H2 TIP3 398 1.059 -45.890 27.725 0.00 0.00 WAT1 ATOM 3175 OH2 TIP3 399 9.152 -50.251 31.157 0.00 0.00 WAT1 ATOM 3176 H1 TIP3 399 9.964 -49.747 31.203 0.00 0.00 WAT1 ATOM 3177 H2 TIP3 399 8.907 -50.396 32.071 0.00 0.00 WAT1 ATOM 3178 OH2 TIP3 400 14.494 -47.607 35.273 0.00 0.00 WAT1 ATOM 3179 H1 TIP3 400 13.697 -48.022 34.944 0.00 0.00 WAT1 ATOM 3180 H2 TIP3 400 14.939 -48.298 35.764 0.00 0.00 WAT1 ATOM 3181 OH2 TIP3 401 2.268 -49.015 26.959 0.00 0.00 WAT1 ATOM 3182 H1 TIP3 401 2.223 -48.076 27.138 0.00 0.00 WAT1 ATOM 3183 H2 TIP3 401 1.380 -49.251 26.689 0.00 0.00 WAT1 ATOM 3184 OH2 TIP3 402 1.202 -43.870 44.077 0.00 0.00 WAT1 ATOM 3185 H1 TIP3 402 1.346 -44.772 43.791 0.00 0.00 WAT1 ATOM 3186 H2 TIP3 402 0.429 -43.584 43.589 0.00 0.00 WAT1 ATOM 3187 OH2 TIP3 403 7.857 -43.900 43.510 0.00 0.00 WAT1 ATOM 3188 H1 TIP3 403 7.529 -43.629 42.652 0.00 0.00 WAT1 ATOM 3189 H2 TIP3 403 8.009 -44.841 43.422 0.00 0.00 WAT1 ATOM 3190 OH2 TIP3 404 13.592 -43.984 40.893 0.00 0.00 WAT1 ATOM 3191 H1 TIP3 404 14.337 -43.396 40.773 0.00 0.00 WAT1 ATOM 3192 H2 TIP3 404 12.835 -43.402 40.956 0.00 0.00 WAT1 ATOM 3193 OH2 TIP3 405 5.981 -47.661 40.871 0.00 0.00 WAT1 ATOM 3194 H1 TIP3 405 5.363 -46.986 41.152 0.00 0.00 WAT1 ATOM 3195 H2 TIP3 405 6.325 -47.340 40.038 0.00 0.00 WAT1 ATOM 3196 OH2 TIP3 406 11.001 -45.190 44.149 0.00 0.00 WAT1 ATOM 3197 H1 TIP3 406 11.954 -45.106 44.121 0.00 0.00 WAT1 ATOM 3198 H2 TIP3 406 10.841 -45.901 44.768 0.00 0.00 WAT1 ATOM 3199 OH2 TIP3 407 8.315 -46.497 39.686 0.00 0.00 WAT1 ATOM 3200 H1 TIP3 407 9.066 -46.653 39.113 0.00 0.00 WAT1 ATOM 3201 H2 TIP3 407 7.976 -45.645 39.410 0.00 0.00 WAT1 ATOM 3202 OH2 TIP3 408 14.047 -45.893 42.792 0.00 0.00 WAT1 ATOM 3203 H1 TIP3 408 13.766 -45.184 42.214 0.00 0.00 WAT1 ATOM 3204 H2 TIP3 408 14.990 -45.966 42.641 0.00 0.00 WAT1 ATOM 3205 OH2 TIP3 409 16.311 -42.344 44.684 0.00 0.00 WAT1 ATOM 3206 H1 TIP3 409 15.445 -42.449 45.078 0.00 0.00 WAT1 ATOM 3207 H2 TIP3 409 16.687 -41.585 45.131 0.00 0.00 WAT1 ATOM 3208 OH2 TIP3 410 18.006 -46.034 32.022 0.00 0.00 WAT1 ATOM 3209 H1 TIP3 410 17.280 -46.513 32.420 0.00 0.00 WAT1 ATOM 3210 H2 TIP3 410 18.587 -45.828 32.754 0.00 0.00 WAT1 ATOM 3211 OH2 TIP3 411 16.623 -48.893 26.964 0.00 0.00 WAT1 ATOM 3212 H1 TIP3 411 16.720 -48.226 26.284 0.00 0.00 WAT1 ATOM 3213 H2 TIP3 411 16.483 -49.709 26.482 0.00 0.00 WAT1 ATOM 3214 OH2 TIP3 412 15.793 -47.513 32.585 0.00 0.00 WAT1 ATOM 3215 H1 TIP3 412 15.643 -48.458 32.565 0.00 0.00 WAT1 ATOM 3216 H2 TIP3 412 15.439 -47.232 33.429 0.00 0.00 WAT1 ATOM 3217 OH2 TIP3 413 0.828 -45.435 36.595 0.00 0.00 WAT1 ATOM 3218 H1 TIP3 413 1.012 -45.517 35.660 0.00 0.00 WAT1 ATOM 3219 H2 TIP3 413 1.677 -45.559 37.019 0.00 0.00 WAT1 ATOM 3220 OH2 TIP3 414 16.649 -45.543 42.224 0.00 0.00 WAT1 ATOM 3221 H1 TIP3 414 17.232 -46.277 42.415 0.00 0.00 WAT1 ATOM 3222 H2 TIP3 414 17.213 -44.771 42.270 0.00 0.00 WAT1 ATOM 3223 OH2 TIP3 415 18.146 -47.640 42.908 0.00 0.00 WAT1 ATOM 3224 H1 TIP3 415 17.283 -48.019 42.743 0.00 0.00 WAT1 ATOM 3225 H2 TIP3 415 18.750 -48.379 42.834 0.00 0.00 WAT1 ATOM 3226 OH2 TIP3 416 15.503 -49.930 31.047 0.00 0.00 WAT1 ATOM 3227 H1 TIP3 416 15.783 -50.837 31.172 0.00 0.00 WAT1 ATOM 3228 H2 TIP3 416 16.262 -49.496 30.658 0.00 0.00 WAT1 ATOM 3229 OH2 TIP3 417 16.115 -49.349 36.483 0.00 0.00 WAT1 ATOM 3230 H1 TIP3 417 17.048 -49.137 36.449 0.00 0.00 WAT1 ATOM 3231 H2 TIP3 417 15.880 -49.247 37.406 0.00 0.00 WAT1 ATOM 3232 OH2 TIP3 418 16.144 -48.612 39.259 0.00 0.00 WAT1 ATOM 3233 H1 TIP3 418 15.301 -48.344 39.625 0.00 0.00 WAT1 ATOM 3234 H2 TIP3 418 16.587 -47.790 39.048 0.00 0.00 WAT1 ATOM 3235 OH2 TIP3 419 14.345 -41.478 50.943 0.00 0.00 WAT1 ATOM 3236 H1 TIP3 419 14.088 -42.168 50.331 0.00 0.00 WAT1 ATOM 3237 H2 TIP3 419 14.416 -41.921 51.788 0.00 0.00 WAT1 ATOM 3238 OH2 TIP3 420 9.979 -36.885 49.679 0.00 0.00 WAT1 ATOM 3239 H1 TIP3 420 9.904 -37.006 48.733 0.00 0.00 WAT1 ATOM 3240 H2 TIP3 420 10.012 -35.935 49.798 0.00 0.00 WAT1 ATOM 3241 OH2 TIP3 421 13.081 -37.731 46.682 0.00 0.00 WAT1 ATOM 3242 H1 TIP3 421 13.456 -38.475 46.211 0.00 0.00 WAT1 ATOM 3243 H2 TIP3 421 13.085 -38.001 47.600 0.00 0.00 WAT1 ATOM 3244 OH2 TIP3 422 12.750 -37.805 49.431 0.00 0.00 WAT1 ATOM 3245 H1 TIP3 422 11.815 -37.705 49.610 0.00 0.00 WAT1 ATOM 3246 H2 TIP3 422 13.030 -38.514 50.009 0.00 0.00 WAT1 ATOM 3247 OH2 TIP3 423 14.258 -45.545 45.459 0.00 0.00 WAT1 ATOM 3248 H1 TIP3 423 14.300 -45.768 44.529 0.00 0.00 WAT1 ATOM 3249 H2 TIP3 423 15.107 -45.147 45.649 0.00 0.00 WAT1 ATOM 3250 OH2 TIP3 424 10.792 -42.422 47.574 0.00 0.00 WAT1 ATOM 3251 H1 TIP3 424 10.497 -41.596 47.956 0.00 0.00 WAT1 ATOM 3252 H2 TIP3 424 10.089 -43.042 47.770 0.00 0.00 WAT1 ATOM 3253 OH2 TIP3 425 16.463 -40.204 48.568 0.00 0.00 WAT1 ATOM 3254 H1 TIP3 425 16.090 -41.030 48.878 0.00 0.00 WAT1 ATOM 3255 H2 TIP3 425 16.740 -40.387 47.671 0.00 0.00 WAT1 ATOM 3256 OH2 TIP3 426 6.277 -38.383 50.844 0.00 0.00 WAT1 ATOM 3257 H1 TIP3 426 5.327 -38.278 50.896 0.00 0.00 WAT1 ATOM 3258 H2 TIP3 426 6.628 -37.563 51.189 0.00 0.00 WAT1 ATOM 3259 OH2 TIP3 427 13.855 -42.228 46.389 0.00 0.00 WAT1 ATOM 3260 H1 TIP3 427 14.208 -42.608 47.193 0.00 0.00 WAT1 ATOM 3261 H2 TIP3 427 12.906 -42.321 46.475 0.00 0.00 WAT1 ATOM 3262 OH2 TIP3 428 7.946 -41.116 44.836 0.00 0.00 WAT1 ATOM 3263 H1 TIP3 428 8.185 -41.864 44.288 0.00 0.00 WAT1 ATOM 3264 H2 TIP3 428 7.677 -41.504 45.668 0.00 0.00 WAT1 ATOM 3265 OH2 TIP3 429 6.883 -41.546 47.292 0.00 0.00 WAT1 ATOM 3266 H1 TIP3 429 7.030 -42.066 48.082 0.00 0.00 WAT1 ATOM 3267 H2 TIP3 429 6.880 -40.639 47.598 0.00 0.00 WAT1 ATOM 3268 OH2 TIP3 430 9.621 -39.848 48.041 0.00 0.00 WAT1 ATOM 3269 H1 TIP3 430 8.804 -39.351 48.094 0.00 0.00 WAT1 ATOM 3270 H2 TIP3 430 10.150 -39.373 47.401 0.00 0.00 WAT1 ATOM 3271 OH2 TIP3 431 6.959 -38.805 48.023 0.00 0.00 WAT1 ATOM 3272 H1 TIP3 431 7.120 -38.005 47.522 0.00 0.00 WAT1 ATOM 3273 H2 TIP3 431 6.762 -38.498 48.908 0.00 0.00 WAT1 ATOM 3274 OH2 TIP3 432 3.952 -41.679 46.699 0.00 0.00 WAT1 ATOM 3275 H1 TIP3 432 4.544 -40.980 46.975 0.00 0.00 WAT1 ATOM 3276 H2 TIP3 432 4.411 -42.112 45.980 0.00 0.00 WAT1 ATOM 3277 OH2 TIP3 433 9.984 -39.253 44.974 0.00 0.00 WAT1 ATOM 3278 H1 TIP3 433 9.340 -39.884 45.296 0.00 0.00 WAT1 ATOM 3279 H2 TIP3 433 10.746 -39.784 44.742 0.00 0.00 WAT1 ATOM 3280 OH2 TIP3 434 14.588 -39.436 45.208 0.00 0.00 WAT1 ATOM 3281 H1 TIP3 434 14.871 -40.230 45.661 0.00 0.00 WAT1 ATOM 3282 H2 TIP3 434 15.328 -39.203 44.647 0.00 0.00 WAT1 ATOM 3283 OH2 TIP3 435 5.543 -43.526 45.065 0.00 0.00 WAT1 ATOM 3284 H1 TIP3 435 5.607 -44.320 45.596 0.00 0.00 WAT1 ATOM 3285 H2 TIP3 435 6.196 -43.645 44.376 0.00 0.00 WAT1 ATOM 3286 OH2 TIP3 436 10.895 -42.479 44.801 0.00 0.00 WAT1 ATOM 3287 H1 TIP3 436 10.627 -42.299 45.702 0.00 0.00 WAT1 ATOM 3288 H2 TIP3 436 10.689 -43.405 44.670 0.00 0.00 WAT1 ATOM 3289 OH2 TIP3 437 17.153 -44.956 45.079 0.00 0.00 WAT1 ATOM 3290 H1 TIP3 437 16.880 -45.381 44.266 0.00 0.00 WAT1 ATOM 3291 H2 TIP3 437 17.193 -44.025 44.862 0.00 0.00 WAT1 ATOM 3292 OH2 TIP3 438 1.229 -41.984 46.118 0.00 0.00 WAT1 ATOM 3293 H1 TIP3 438 2.143 -41.905 46.391 0.00 0.00 WAT1 ATOM 3294 H2 TIP3 438 1.236 -42.671 45.451 0.00 0.00 WAT1 ATOM 3295 OH2 TIP3 439 18.274 -46.133 47.269 0.00 0.00 WAT1 ATOM 3296 H1 TIP3 439 17.753 -45.776 46.550 0.00 0.00 WAT1 ATOM 3297 H2 TIP3 439 18.241 -45.458 47.947 0.00 0.00 WAT1 ATOM 3298 OH2 TIP3 440 15.035 -37.611 51.552 0.00 0.00 WAT1 ATOM 3299 H1 TIP3 440 15.688 -37.958 50.944 0.00 0.00 WAT1 ATOM 3300 H2 TIP3 440 15.546 -37.122 52.198 0.00 0.00 WAT1 ATOM 3301 OH2 TIP3 441 1.442 -38.604 48.483 0.00 0.00 WAT1 ATOM 3302 H1 TIP3 441 0.757 -38.642 47.815 0.00 0.00 WAT1 ATOM 3303 H2 TIP3 441 1.445 -37.691 48.771 0.00 0.00 WAT1 ATOM 3304 OH2 TIP3 442 10.306 -37.394 46.880 0.00 0.00 WAT1 ATOM 3305 H1 TIP3 442 11.172 -37.028 46.702 0.00 0.00 WAT1 ATOM 3306 H2 TIP3 442 10.059 -37.834 46.067 0.00 0.00 WAT1 ATOM 3307 OH2 TIP3 443 11.783 -26.338 -4.828 0.00 0.00 WAT1 ATOM 3308 H1 TIP3 443 11.872 -25.394 -4.960 0.00 0.00 WAT1 ATOM 3309 H2 TIP3 443 11.144 -26.613 -5.486 0.00 0.00 WAT1 ATOM 3310 OH2 TIP3 444 10.716 -27.083 -1.409 0.00 0.00 WAT1 ATOM 3311 H1 TIP3 444 10.678 -27.729 -0.704 0.00 0.00 WAT1 ATOM 3312 H2 TIP3 444 10.393 -27.549 -2.180 0.00 0.00 WAT1 ATOM 3313 OH2 TIP3 445 3.084 -27.468 0.184 0.00 0.00 WAT1 ATOM 3314 H1 TIP3 445 3.126 -28.094 0.908 0.00 0.00 WAT1 ATOM 3315 H2 TIP3 445 3.787 -26.845 0.366 0.00 0.00 WAT1 ATOM 3316 OH2 TIP3 446 14.422 -24.144 -3.107 0.00 0.00 WAT1 ATOM 3317 H1 TIP3 446 13.981 -24.864 -2.657 0.00 0.00 WAT1 ATOM 3318 H2 TIP3 446 14.409 -23.423 -2.477 0.00 0.00 WAT1 ATOM 3319 OH2 TIP3 447 4.008 -23.018 -1.281 0.00 0.00 WAT1 ATOM 3320 H1 TIP3 447 3.638 -23.820 -1.650 0.00 0.00 WAT1 ATOM 3321 H2 TIP3 447 4.949 -23.187 -1.234 0.00 0.00 WAT1 ATOM 3322 OH2 TIP3 448 11.533 -19.039 -2.895 0.00 0.00 WAT1 ATOM 3323 H1 TIP3 448 12.153 -19.716 -3.168 0.00 0.00 WAT1 ATOM 3324 H2 TIP3 448 11.325 -19.257 -1.987 0.00 0.00 WAT1 ATOM 3325 OH2 TIP3 449 12.246 -30.256 -0.675 0.00 0.00 WAT1 ATOM 3326 H1 TIP3 449 12.389 -31.203 -0.655 0.00 0.00 WAT1 ATOM 3327 H2 TIP3 449 12.140 -30.049 -1.604 0.00 0.00 WAT1 ATOM 3328 OH2 TIP3 450 7.177 -28.208 -3.425 0.00 0.00 WAT1 ATOM 3329 H1 TIP3 450 7.793 -28.734 -2.916 0.00 0.00 WAT1 ATOM 3330 H2 TIP3 450 6.591 -28.848 -3.829 0.00 0.00 WAT1 ATOM 3331 OH2 TIP3 451 11.580 -23.737 -5.785 0.00 0.00 WAT1 ATOM 3332 H1 TIP3 451 11.284 -24.059 -6.636 0.00 0.00 WAT1 ATOM 3333 H2 TIP3 451 11.256 -22.837 -5.743 0.00 0.00 WAT1 ATOM 3334 OH2 TIP3 452 14.934 -22.304 -0.759 0.00 0.00 WAT1 ATOM 3335 H1 TIP3 452 13.992 -22.246 -0.598 0.00 0.00 WAT1 ATOM 3336 H2 TIP3 452 15.210 -21.398 -0.896 0.00 0.00 WAT1 ATOM 3337 OH2 TIP3 453 13.186 -20.523 -4.134 0.00 0.00 WAT1 ATOM 3338 H1 TIP3 453 13.611 -21.230 -4.619 0.00 0.00 WAT1 ATOM 3339 H2 TIP3 453 13.503 -19.722 -4.551 0.00 0.00 WAT1 ATOM 3340 OH2 TIP3 454 14.345 -22.622 -5.625 0.00 0.00 WAT1 ATOM 3341 H1 TIP3 454 14.088 -23.312 -6.237 0.00 0.00 WAT1 ATOM 3342 H2 TIP3 454 14.416 -23.065 -4.780 0.00 0.00 WAT1 ATOM 3343 OH2 TIP3 455 17.873 -27.716 0.918 0.00 0.00 WAT1 ATOM 3344 H1 TIP3 455 17.221 -27.021 1.007 0.00 0.00 WAT1 ATOM 3345 H2 TIP3 455 18.338 -27.506 0.108 0.00 0.00 WAT1 ATOM 3346 OH2 TIP3 456 13.807 -28.710 2.644 0.00 0.00 WAT1 ATOM 3347 H1 TIP3 456 13.887 -27.947 3.216 0.00 0.00 WAT1 ATOM 3348 H2 TIP3 456 13.206 -28.431 1.953 0.00 0.00 WAT1 ATOM 3349 OH2 TIP3 457 5.555 -26.254 -4.541 0.00 0.00 WAT1 ATOM 3350 H1 TIP3 457 5.225 -26.624 -5.360 0.00 0.00 WAT1 ATOM 3351 H2 TIP3 457 6.143 -26.924 -4.195 0.00 0.00 WAT1 ATOM 3352 OH2 TIP3 458 5.922 -27.485 -0.908 0.00 0.00 WAT1 ATOM 3353 H1 TIP3 458 6.487 -27.364 -1.671 0.00 0.00 WAT1 ATOM 3354 H2 TIP3 458 6.241 -26.848 -0.269 0.00 0.00 WAT1 ATOM 3355 OH2 TIP3 459 10.507 -20.985 -5.304 0.00 0.00 WAT1 ATOM 3356 H1 TIP3 459 10.981 -20.690 -4.526 0.00 0.00 WAT1 ATOM 3357 H2 TIP3 459 9.944 -20.247 -5.537 0.00 0.00 WAT1 ATOM 3358 OH2 TIP3 460 0.638 -24.821 1.863 0.00 0.00 WAT1 ATOM 3359 H1 TIP3 460 0.137 -24.849 1.048 0.00 0.00 WAT1 ATOM 3360 H2 TIP3 460 0.644 -25.727 2.173 0.00 0.00 WAT1 ATOM 3361 OH2 TIP3 461 0.389 -22.041 -1.253 0.00 0.00 WAT1 ATOM 3362 H1 TIP3 461 1.335 -22.185 -1.272 0.00 0.00 WAT1 ATOM 3363 H2 TIP3 461 0.276 -21.257 -0.716 0.00 0.00 WAT1 ATOM 3364 OH2 TIP3 462 9.979 -18.029 -6.889 0.00 0.00 WAT1 ATOM 3365 H1 TIP3 462 9.904 -18.150 -7.835 0.00 0.00 WAT1 ATOM 3366 H2 TIP3 462 10.012 -17.079 -6.770 0.00 0.00 WAT1 ATOM 3367 OH2 TIP3 463 3.633 -19.240 -5.108 0.00 0.00 WAT1 ATOM 3368 H1 TIP3 463 3.785 -19.588 -4.229 0.00 0.00 WAT1 ATOM 3369 H2 TIP3 463 2.782 -19.596 -5.363 0.00 0.00 WAT1 ATOM 3370 OH2 TIP3 464 15.738 -29.882 4.909 0.00 0.00 WAT1 ATOM 3371 H1 TIP3 464 15.331 -29.401 4.189 0.00 0.00 WAT1 ATOM 3372 H2 TIP3 464 15.779 -30.787 4.602 0.00 0.00 WAT1 ATOM 3373 OH2 TIP3 465 13.495 -31.550 3.130 0.00 0.00 WAT1 ATOM 3374 H1 TIP3 465 12.981 -31.676 3.927 0.00 0.00 WAT1 ATOM 3375 H2 TIP3 465 13.340 -30.638 2.885 0.00 0.00 WAT1 ATOM 3376 OH2 TIP3 466 5.597 -30.062 -0.003 0.00 0.00 WAT1 ATOM 3377 H1 TIP3 466 4.955 -30.103 0.706 0.00 0.00 WAT1 ATOM 3378 H2 TIP3 466 5.634 -29.136 -0.241 0.00 0.00 WAT1 ATOM 3379 OH2 TIP3 467 3.347 -29.742 1.864 0.00 0.00 WAT1 ATOM 3380 H1 TIP3 467 3.309 -29.342 2.732 0.00 0.00 WAT1 ATOM 3381 H2 TIP3 467 2.856 -30.559 1.954 0.00 0.00 WAT1 ATOM 3382 OH2 TIP3 468 15.868 -17.507 5.536 0.00 0.00 WAT1 ATOM 3383 H1 TIP3 468 16.068 -17.083 4.701 0.00 0.00 WAT1 ATOM 3384 H2 TIP3 468 16.524 -17.164 6.143 0.00 0.00 WAT1 ATOM 3385 OH2 TIP3 469 9.496 -29.626 -2.118 0.00 0.00 WAT1 ATOM 3386 H1 TIP3 469 10.060 -30.173 -2.665 0.00 0.00 WAT1 ATOM 3387 H2 TIP3 469 9.348 -30.148 -1.329 0.00 0.00 WAT1 ATOM 3388 OH2 TIP3 470 8.122 -31.238 0.296 0.00 0.00 WAT1 ATOM 3389 H1 TIP3 470 7.287 -30.784 0.406 0.00 0.00 WAT1 ATOM 3390 H2 TIP3 470 8.646 -30.962 1.048 0.00 0.00 WAT1 ATOM 3391 OH2 TIP3 471 8.666 -25.025 -8.019 0.00 0.00 WAT1 ATOM 3392 H1 TIP3 471 7.922 -25.532 -8.342 0.00 0.00 WAT1 ATOM 3393 H2 TIP3 471 8.532 -24.976 -7.073 0.00 0.00 WAT1 ATOM 3394 OH2 TIP3 472 15.816 -25.892 0.767 0.00 0.00 WAT1 ATOM 3395 H1 TIP3 472 16.458 -25.435 0.224 0.00 0.00 WAT1 ATOM 3396 H2 TIP3 472 14.986 -25.779 0.305 0.00 0.00 WAT1 ATOM 3397 OH2 TIP3 473 3.791 -25.730 -2.250 0.00 0.00 WAT1 ATOM 3398 H1 TIP3 473 4.536 -25.732 -2.851 0.00 0.00 WAT1 ATOM 3399 H2 TIP3 473 3.869 -26.554 -1.768 0.00 0.00 WAT1 ATOM 3400 OH2 TIP3 474 0.799 -27.269 3.065 0.00 0.00 WAT1 ATOM 3401 H1 TIP3 474 1.022 -27.687 3.897 0.00 0.00 WAT1 ATOM 3402 H2 TIP3 474 0.197 -27.882 2.643 0.00 0.00 WAT1 ATOM 3403 OH2 TIP3 475 13.623 -26.540 -0.978 0.00 0.00 WAT1 ATOM 3404 H1 TIP3 475 12.695 -26.772 -1.005 0.00 0.00 WAT1 ATOM 3405 H2 TIP3 475 14.074 -27.317 -1.308 0.00 0.00 WAT1 ATOM 3406 OH2 TIP3 476 6.166 -22.212 -4.845 0.00 0.00 WAT1 ATOM 3407 H1 TIP3 476 6.693 -21.439 -5.046 0.00 0.00 WAT1 ATOM 3408 H2 TIP3 476 5.286 -21.987 -5.147 0.00 0.00 WAT1 ATOM 3409 OH2 TIP3 477 7.593 -24.549 -5.269 0.00 0.00 WAT1 ATOM 3410 H1 TIP3 477 7.352 -23.624 -5.227 0.00 0.00 WAT1 ATOM 3411 H2 TIP3 477 6.853 -25.008 -4.873 0.00 0.00 WAT1 ATOM 3412 OH2 TIP3 478 6.277 -19.527 -5.724 0.00 0.00 WAT1 ATOM 3413 H1 TIP3 478 5.327 -19.422 -5.672 0.00 0.00 WAT1 ATOM 3414 H2 TIP3 478 6.628 -18.707 -5.379 0.00 0.00 WAT1 ATOM 3415 OH2 TIP3 479 2.433 -32.516 2.623 0.00 0.00 WAT1 ATOM 3416 H1 TIP3 479 1.540 -32.177 2.556 0.00 0.00 WAT1 ATOM 3417 H2 TIP3 479 2.334 -33.371 3.041 0.00 0.00 WAT1 ATOM 3418 OH2 TIP3 480 11.168 -32.775 1.513 0.00 0.00 WAT1 ATOM 3419 H1 TIP3 480 11.866 -32.701 2.163 0.00 0.00 WAT1 ATOM 3420 H2 TIP3 480 10.787 -33.639 1.668 0.00 0.00 WAT1 ATOM 3421 OH2 TIP3 481 9.688 -30.409 2.630 0.00 0.00 WAT1 ATOM 3422 H1 TIP3 481 9.807 -29.835 3.387 0.00 0.00 WAT1 ATOM 3423 H2 TIP3 481 10.343 -31.097 2.745 0.00 0.00 WAT1 ATOM 3424 OH2 TIP3 482 15.892 -32.502 3.465 0.00 0.00 WAT1 ATOM 3425 H1 TIP3 482 14.976 -32.239 3.377 0.00 0.00 WAT1 ATOM 3426 H2 TIP3 482 16.228 -32.505 2.568 0.00 0.00 WAT1 ATOM 3427 OH2 TIP3 483 14.494 -28.751 -2.439 0.00 0.00 WAT1 ATOM 3428 H1 TIP3 483 13.697 -29.166 -2.768 0.00 0.00 WAT1 ATOM 3429 H2 TIP3 483 14.939 -29.442 -1.948 0.00 0.00 WAT1 ATOM 3430 OH2 TIP3 484 15.581 -19.495 -0.817 0.00 0.00 WAT1 ATOM 3431 H1 TIP3 484 15.425 -18.817 -1.474 0.00 0.00 WAT1 ATOM 3432 H2 TIP3 484 16.513 -19.423 -0.614 0.00 0.00 WAT1 ATOM 3433 OH2 TIP3 485 6.321 -31.450 4.242 0.00 0.00 WAT1 ATOM 3434 H1 TIP3 485 6.471 -32.179 3.639 0.00 0.00 WAT1 ATOM 3435 H2 TIP3 485 6.323 -30.673 3.683 0.00 0.00 WAT1 ATOM 3436 OH2 TIP3 486 6.733 -33.080 1.734 0.00 0.00 WAT1 ATOM 3437 H1 TIP3 486 7.269 -32.629 1.082 0.00 0.00 WAT1 ATOM 3438 H2 TIP3 486 5.881 -33.188 1.312 0.00 0.00 WAT1 ATOM 3439 OH2 TIP3 487 4.799 -30.252 6.153 0.00 0.00 WAT1 ATOM 3440 H1 TIP3 487 4.032 -30.784 5.943 0.00 0.00 WAT1 ATOM 3441 H2 TIP3 487 5.478 -30.562 5.554 0.00 0.00 WAT1 ATOM 3442 OH2 TIP3 488 8.803 -31.302 5.729 0.00 0.00 WAT1 ATOM 3443 H1 TIP3 488 8.567 -31.522 6.631 0.00 0.00 WAT1 ATOM 3444 H2 TIP3 488 8.020 -31.509 5.220 0.00 0.00 WAT1 ATOM 3445 OH2 TIP3 489 11.519 -32.175 4.805 0.00 0.00 WAT1 ATOM 3446 H1 TIP3 489 10.571 -32.143 4.937 0.00 0.00 WAT1 ATOM 3447 H2 TIP3 489 11.831 -32.800 5.459 0.00 0.00 WAT1 ATOM 3448 OH2 TIP3 490 13.153 -33.541 6.810 0.00 0.00 WAT1 ATOM 3449 H1 TIP3 490 13.056 -34.493 6.804 0.00 0.00 WAT1 ATOM 3450 H2 TIP3 490 12.831 -33.272 7.671 0.00 0.00 WAT1 ATOM 3451 OH2 TIP3 491 2.980 -32.331 5.858 0.00 0.00 WAT1 ATOM 3452 H1 TIP3 491 3.191 -33.038 5.247 0.00 0.00 WAT1 ATOM 3453 H2 TIP3 491 2.868 -32.769 6.702 0.00 0.00 WAT1 ATOM 3454 OH2 TIP3 492 8.114 -34.647 6.891 0.00 0.00 WAT1 ATOM 3455 H1 TIP3 492 7.983 -35.123 6.070 0.00 0.00 WAT1 ATOM 3456 H2 TIP3 492 7.515 -33.903 6.835 0.00 0.00 WAT1 ATOM 3457 OH2 TIP3 493 0.748 -19.654 -3.568 0.00 0.00 WAT1 ATOM 3458 H1 TIP3 493 0.414 -20.535 -3.396 0.00 0.00 WAT1 ATOM 3459 H2 TIP3 493 0.970 -19.309 -2.704 0.00 0.00 WAT1 ATOM 3460 OH2 TIP3 494 18.297 -18.845 -0.588 0.00 0.00 WAT1 ATOM 3461 H1 TIP3 494 18.275 -18.660 0.351 0.00 0.00 WAT1 ATOM 3462 H2 TIP3 494 18.987 -18.276 -0.929 0.00 0.00 WAT1 ATOM 3463 OH2 TIP3 495 17.860 -19.278 2.334 0.00 0.00 WAT1 ATOM 3464 H1 TIP3 495 17.373 -20.013 1.963 0.00 0.00 WAT1 ATOM 3465 H2 TIP3 495 18.409 -19.671 3.012 0.00 0.00 WAT1 ATOM 3466 OH2 TIP3 496 17.765 -24.393 -0.742 0.00 0.00 WAT1 ATOM 3467 H1 TIP3 496 18.599 -24.771 -1.023 0.00 0.00 WAT1 ATOM 3468 H2 TIP3 496 17.877 -23.450 -0.861 0.00 0.00 WAT1 ATOM 3469 OH2 TIP3 497 0.828 -26.579 -1.117 0.00 0.00 WAT1 ATOM 3470 H1 TIP3 497 1.012 -26.661 -2.052 0.00 0.00 WAT1 ATOM 3471 H2 TIP3 497 1.677 -26.703 -0.693 0.00 0.00 WAT1 ATOM 3472 OH2 TIP3 498 18.146 -28.784 5.196 0.00 0.00 WAT1 ATOM 3473 H1 TIP3 498 17.283 -29.163 5.031 0.00 0.00 WAT1 ATOM 3474 H2 TIP3 498 18.750 -29.523 5.122 0.00 0.00 WAT1 ATOM 3475 OH2 TIP3 499 16.144 -29.756 1.547 0.00 0.00 WAT1 ATOM 3476 H1 TIP3 499 15.301 -29.488 1.913 0.00 0.00 WAT1 ATOM 3477 H2 TIP3 499 16.587 -28.934 1.336 0.00 0.00 WAT1 ATOM 3478 OH2 TIP3 500 0.426 -31.308 5.024 0.00 0.00 WAT1 ATOM 3479 H1 TIP3 500 1.345 -31.430 5.260 0.00 0.00 WAT1 ATOM 3480 H2 TIP3 500 -0.024 -32.058 5.413 0.00 0.00 WAT1 ATOM 3481 OH2 TIP3 501 18.427 -35.776 6.901 0.00 0.00 WAT1 ATOM 3482 H1 TIP3 501 18.777 -36.430 6.295 0.00 0.00 WAT1 ATOM 3483 H2 TIP3 501 18.574 -34.939 6.461 0.00 0.00 WAT1 ATOM 3484 OH2 TIP3 502 15.035 -18.755 -5.016 0.00 0.00 WAT1 ATOM 3485 H1 TIP3 502 15.688 -19.102 -5.624 0.00 0.00 WAT1 ATOM 3486 H2 TIP3 502 15.546 -18.266 -4.370 0.00 0.00 WAT1 ATOM 3487 OH2 TIP3 503 14.886 -17.659 1.279 0.00 0.00 WAT1 ATOM 3488 H1 TIP3 503 14.704 -16.743 1.068 0.00 0.00 WAT1 ATOM 3489 H2 TIP3 503 15.062 -18.069 0.432 0.00 0.00 WAT1 ATOM 3490 OH2 TIP3 504 2.191 -18.972 -1.256 0.00 0.00 WAT1 ATOM 3491 H1 TIP3 504 2.172 -19.397 -0.399 0.00 0.00 WAT1 ATOM 3492 H2 TIP3 504 2.996 -19.290 -1.665 0.00 0.00 WAT1 ATOM 3493 OH2 TIP3 505 4.332 -20.262 -2.601 0.00 0.00 WAT1 ATOM 3494 H1 TIP3 505 4.113 -21.178 -2.432 0.00 0.00 WAT1 ATOM 3495 H2 TIP3 505 5.156 -20.122 -2.135 0.00 0.00 WAT1 ATOM 3496 OH2 TIP3 506 13.057 -36.297 6.449 0.00 0.00 WAT1 ATOM 3497 H1 TIP3 506 13.133 -36.723 7.303 0.00 0.00 WAT1 ATOM 3498 H2 TIP3 506 13.950 -36.283 6.107 0.00 0.00 WAT1 ATOM 3499 OH2 TIP3 507 16.479 -35.972 9.930 0.00 0.00 WAT1 ATOM 3500 H1 TIP3 507 15.580 -35.833 10.225 0.00 0.00 WAT1 ATOM 3501 H2 TIP3 507 16.731 -35.141 9.528 0.00 0.00 WAT1 ATOM 3502 OH2 TIP3 508 3.633 -19.240 13.748 0.00 0.00 WAT1 ATOM 3503 H1 TIP3 508 3.785 -19.588 14.627 0.00 0.00 WAT1 ATOM 3504 H2 TIP3 508 2.782 -19.596 13.493 0.00 0.00 WAT1 ATOM 3505 OH2 TIP3 509 6.713 -32.368 7.518 0.00 0.00 WAT1 ATOM 3506 H1 TIP3 509 6.282 -32.813 8.248 0.00 0.00 WAT1 ATOM 3507 H2 TIP3 509 5.995 -31.996 7.006 0.00 0.00 WAT1 ATOM 3508 OH2 TIP3 510 1.230 -31.880 9.994 0.00 0.00 WAT1 ATOM 3509 H1 TIP3 510 1.704 -31.289 9.409 0.00 0.00 WAT1 ATOM 3510 H2 TIP3 510 0.512 -31.349 10.341 0.00 0.00 WAT1 ATOM 3511 OH2 TIP3 511 5.331 -29.590 8.901 0.00 0.00 WAT1 ATOM 3512 H1 TIP3 511 4.789 -29.970 8.210 0.00 0.00 WAT1 ATOM 3513 H2 TIP3 511 6.165 -29.396 8.472 0.00 0.00 WAT1 ATOM 3514 OH2 TIP3 512 18.167 -30.134 10.391 0.00 0.00 WAT1 ATOM 3515 H1 TIP3 512 17.613 -30.530 9.719 0.00 0.00 WAT1 ATOM 3516 H2 TIP3 512 18.268 -29.224 10.114 0.00 0.00 WAT1 ATOM 3517 OH2 TIP3 513 6.883 -22.690 9.580 0.00 0.00 WAT1 ATOM 3518 H1 TIP3 513 7.030 -23.210 10.370 0.00 0.00 WAT1 ATOM 3519 H2 TIP3 513 6.880 -21.783 9.886 0.00 0.00 WAT1 ATOM 3520 OH2 TIP3 514 6.959 -19.949 10.311 0.00 0.00 WAT1 ATOM 3521 H1 TIP3 514 7.120 -19.149 9.810 0.00 0.00 WAT1 ATOM 3522 H2 TIP3 514 6.762 -19.642 11.196 0.00 0.00 WAT1 ATOM 3523 OH2 TIP3 515 2.268 -30.159 8.103 0.00 0.00 WAT1 ATOM 3524 H1 TIP3 515 2.223 -29.220 8.282 0.00 0.00 WAT1 ATOM 3525 H2 TIP3 515 1.380 -30.395 7.833 0.00 0.00 WAT1 ATOM 3526 OH2 TIP3 516 -0.122 -17.735 13.483 0.00 0.00 WAT1 ATOM 3527 H1 TIP3 516 -0.769 -18.197 12.950 0.00 0.00 WAT1 ATOM 3528 H2 TIP3 516 0.233 -18.407 14.066 0.00 0.00 WAT1 ATOM 3529 OH2 TIP3 517 16.623 -30.037 8.108 0.00 0.00 WAT1 ATOM 3530 H1 TIP3 517 16.720 -29.370 7.428 0.00 0.00 WAT1 ATOM 3531 H2 TIP3 517 16.483 -30.853 7.626 0.00 0.00 WAT1 ATOM 3532 OH2 TIP3 518 15.871 -32.629 7.225 0.00 0.00 WAT1 ATOM 3533 H1 TIP3 518 16.481 -33.001 7.862 0.00 0.00 WAT1 ATOM 3534 H2 TIP3 518 15.034 -33.051 7.421 0.00 0.00 WAT1 ATOM 3535 OH2 TIP3 519 17.983 -33.744 8.768 0.00 0.00 WAT1 ATOM 3536 H1 TIP3 519 18.396 -34.465 8.292 0.00 0.00 WAT1 ATOM 3537 H2 TIP3 519 18.665 -33.074 8.826 0.00 0.00 WAT1 ATOM 3538 OH2 TIP3 520 0.264 -33.739 11.895 0.00 0.00 WAT1 ATOM 3539 H1 TIP3 520 -0.661 -33.530 11.765 0.00 0.00 WAT1 ATOM 3540 H2 TIP3 520 0.718 -33.255 11.205 0.00 0.00 WAT1 ATOM 3541 OH2 TIP3 521 1.541 -35.696 9.873 0.00 0.00 WAT1 ATOM 3542 H1 TIP3 521 1.980 -35.085 9.282 0.00 0.00 WAT1 ATOM 3543 H2 TIP3 521 0.907 -35.158 10.347 0.00 0.00 WAT1 ATOM 3544 OH2 TIP3 522 1.442 -19.748 10.771 0.00 0.00 WAT1 ATOM 3545 H1 TIP3 522 0.757 -19.786 10.103 0.00 0.00 WAT1 ATOM 3546 H2 TIP3 522 1.445 -18.835 11.059 0.00 0.00 WAT1 ATOM 3547 OH2 TIP3 523 3.402 -33.780 8.316 0.00 0.00 WAT1 ATOM 3548 H1 TIP3 523 3.893 -34.410 7.788 0.00 0.00 WAT1 ATOM 3549 H2 TIP3 523 4.025 -33.484 8.979 0.00 0.00 WAT1 ATOM 3550 OH2 TIP3 524 3.084 -27.468 37.896 0.00 0.00 WAT1 ATOM 3551 H1 TIP3 524 3.126 -28.094 38.620 0.00 0.00 WAT1 ATOM 3552 H2 TIP3 524 3.787 -26.845 38.078 0.00 0.00 WAT1 ATOM 3553 OH2 TIP3 525 14.934 -22.304 36.953 0.00 0.00 WAT1 ATOM 3554 H1 TIP3 525 13.992 -22.246 37.114 0.00 0.00 WAT1 ATOM 3555 H2 TIP3 525 15.210 -21.398 36.816 0.00 0.00 WAT1 ATOM 3556 OH2 TIP3 526 16.031 -24.056 40.564 0.00 0.00 WAT1 ATOM 3557 H1 TIP3 526 16.171 -24.647 39.825 0.00 0.00 WAT1 ATOM 3558 H2 TIP3 526 16.199 -23.183 40.208 0.00 0.00 WAT1 ATOM 3559 OH2 TIP3 527 17.873 -27.716 38.630 0.00 0.00 WAT1 ATOM 3560 H1 TIP3 527 17.221 -27.021 38.719 0.00 0.00 WAT1 ATOM 3561 H2 TIP3 527 18.338 -27.506 37.820 0.00 0.00 WAT1 ATOM 3562 OH2 TIP3 528 12.231 -21.982 37.538 0.00 0.00 WAT1 ATOM 3563 H1 TIP3 528 11.990 -21.320 38.186 0.00 0.00 WAT1 ATOM 3564 H2 TIP3 528 12.033 -22.816 37.963 0.00 0.00 WAT1 ATOM 3565 OH2 TIP3 529 3.722 -26.888 40.750 0.00 0.00 WAT1 ATOM 3566 H1 TIP3 529 3.792 -26.237 41.448 0.00 0.00 WAT1 ATOM 3567 H2 TIP3 529 2.831 -26.785 40.415 0.00 0.00 WAT1 ATOM 3568 OH2 TIP3 530 5.041 -21.014 42.285 0.00 0.00 WAT1 ATOM 3569 H1 TIP3 530 5.049 -21.150 41.337 0.00 0.00 WAT1 ATOM 3570 H2 TIP3 530 4.125 -21.132 42.537 0.00 0.00 WAT1 ATOM 3571 OH2 TIP3 531 0.638 -24.821 39.575 0.00 0.00 WAT1 ATOM 3572 H1 TIP3 531 0.137 -24.849 38.760 0.00 0.00 WAT1 ATOM 3573 H2 TIP3 531 0.644 -25.727 39.885 0.00 0.00 WAT1 ATOM 3574 OH2 TIP3 532 0.389 -22.041 36.459 0.00 0.00 WAT1 ATOM 3575 H1 TIP3 532 1.335 -22.185 36.440 0.00 0.00 WAT1 ATOM 3576 H2 TIP3 532 0.276 -21.257 36.996 0.00 0.00 WAT1 ATOM 3577 OH2 TIP3 533 9.565 -21.801 41.017 0.00 0.00 WAT1 ATOM 3578 H1 TIP3 533 9.652 -20.975 41.492 0.00 0.00 WAT1 ATOM 3579 H2 TIP3 533 8.701 -22.131 41.266 0.00 0.00 WAT1 ATOM 3580 OH2 TIP3 534 2.887 -23.498 40.618 0.00 0.00 WAT1 ATOM 3581 H1 TIP3 534 3.104 -23.859 41.478 0.00 0.00 WAT1 ATOM 3582 H2 TIP3 534 2.032 -23.872 40.408 0.00 0.00 WAT1 ATOM 3583 OH2 TIP3 535 3.466 -25.033 42.856 0.00 0.00 WAT1 ATOM 3584 H1 TIP3 535 4.199 -24.779 43.417 0.00 0.00 WAT1 ATOM 3585 H2 TIP3 535 2.686 -24.829 43.371 0.00 0.00 WAT1 ATOM 3586 OH2 TIP3 536 15.816 -25.892 38.479 0.00 0.00 WAT1 ATOM 3587 H1 TIP3 536 16.458 -25.435 37.936 0.00 0.00 WAT1 ATOM 3588 H2 TIP3 536 14.986 -25.779 38.017 0.00 0.00 WAT1 ATOM 3589 OH2 TIP3 537 0.799 -27.269 40.777 0.00 0.00 WAT1 ATOM 3590 H1 TIP3 537 1.022 -27.687 41.609 0.00 0.00 WAT1 ATOM 3591 H2 TIP3 537 0.197 -27.882 40.355 0.00 0.00 WAT1 ATOM 3592 OH2 TIP3 538 12.436 -22.379 40.880 0.00 0.00 WAT1 ATOM 3593 H1 TIP3 538 11.535 -22.196 40.612 0.00 0.00 WAT1 ATOM 3594 H2 TIP3 538 12.470 -22.120 41.801 0.00 0.00 WAT1 ATOM 3595 OH2 TIP3 539 18.131 -24.334 42.084 0.00 0.00 WAT1 ATOM 3596 H1 TIP3 539 17.279 -24.096 41.717 0.00 0.00 WAT1 ATOM 3597 H2 TIP3 539 18.721 -24.351 41.331 0.00 0.00 WAT1 ATOM 3598 OH2 TIP3 540 8.108 -20.400 38.758 0.00 0.00 WAT1 ATOM 3599 H1 TIP3 540 8.471 -19.545 38.525 0.00 0.00 WAT1 ATOM 3600 H2 TIP3 540 8.640 -20.692 39.499 0.00 0.00 WAT1 ATOM 3601 OH2 TIP3 541 11.652 -24.301 38.459 0.00 0.00 WAT1 ATOM 3602 H1 TIP3 541 11.226 -24.528 39.285 0.00 0.00 WAT1 ATOM 3603 H2 TIP3 541 12.233 -25.039 38.276 0.00 0.00 WAT1 ATOM 3604 OH2 TIP3 542 14.311 -19.749 40.928 0.00 0.00 WAT1 ATOM 3605 H1 TIP3 542 13.709 -20.304 40.433 0.00 0.00 WAT1 ATOM 3606 H2 TIP3 542 14.592 -19.082 40.302 0.00 0.00 WAT1 ATOM 3607 OH2 TIP3 543 2.084 -20.711 38.770 0.00 0.00 WAT1 ATOM 3608 H1 TIP3 543 2.301 -21.643 38.739 0.00 0.00 WAT1 ATOM 3609 H2 TIP3 543 2.331 -20.437 39.654 0.00 0.00 WAT1 ATOM 3610 OH2 TIP3 544 12.469 -21.525 43.472 0.00 0.00 WAT1 ATOM 3611 H1 TIP3 544 12.118 -22.381 43.715 0.00 0.00 WAT1 ATOM 3612 H2 TIP3 544 13.195 -21.382 44.079 0.00 0.00 WAT1 ATOM 3613 OH2 TIP3 545 7.857 -25.044 43.510 0.00 0.00 WAT1 ATOM 3614 H1 TIP3 545 7.529 -24.773 42.652 0.00 0.00 WAT1 ATOM 3615 H2 TIP3 545 8.009 -25.985 43.422 0.00 0.00 WAT1 ATOM 3616 OH2 TIP3 546 13.592 -25.128 40.893 0.00 0.00 WAT1 ATOM 3617 H1 TIP3 546 14.337 -24.540 40.773 0.00 0.00 WAT1 ATOM 3618 H2 TIP3 546 12.835 -24.546 40.956 0.00 0.00 WAT1 ATOM 3619 OH2 TIP3 547 2.034 -27.814 43.497 0.00 0.00 WAT1 ATOM 3620 H1 TIP3 547 2.442 -28.671 43.376 0.00 0.00 WAT1 ATOM 3621 H2 TIP3 547 1.774 -27.799 44.418 0.00 0.00 WAT1 ATOM 3622 OH2 TIP3 548 11.001 -26.334 44.149 0.00 0.00 WAT1 ATOM 3623 H1 TIP3 548 11.954 -26.250 44.121 0.00 0.00 WAT1 ATOM 3624 H2 TIP3 548 10.841 -27.045 44.768 0.00 0.00 WAT1 ATOM 3625 OH2 TIP3 549 14.047 -27.037 42.792 0.00 0.00 WAT1 ATOM 3626 H1 TIP3 549 13.766 -26.328 42.214 0.00 0.00 WAT1 ATOM 3627 H2 TIP3 549 14.990 -27.110 42.641 0.00 0.00 WAT1 ATOM 3628 OH2 TIP3 550 4.799 -30.252 43.865 0.00 0.00 WAT1 ATOM 3629 H1 TIP3 550 4.032 -30.784 43.655 0.00 0.00 WAT1 ATOM 3630 H2 TIP3 550 5.478 -30.562 43.266 0.00 0.00 WAT1 ATOM 3631 OH2 TIP3 551 2.980 -32.331 43.570 0.00 0.00 WAT1 ATOM 3632 H1 TIP3 551 3.191 -33.038 42.959 0.00 0.00 WAT1 ATOM 3633 H2 TIP3 551 2.868 -32.769 44.414 0.00 0.00 WAT1 ATOM 3634 OH2 TIP3 552 17.860 -19.278 40.046 0.00 0.00 WAT1 ATOM 3635 H1 TIP3 552 17.373 -20.013 39.675 0.00 0.00 WAT1 ATOM 3636 H2 TIP3 552 18.409 -19.671 40.724 0.00 0.00 WAT1 ATOM 3637 OH2 TIP3 553 17.765 -24.393 36.970 0.00 0.00 WAT1 ATOM 3638 H1 TIP3 553 18.599 -24.771 36.689 0.00 0.00 WAT1 ATOM 3639 H2 TIP3 553 17.877 -23.450 36.851 0.00 0.00 WAT1 ATOM 3640 OH2 TIP3 554 16.252 -21.515 39.277 0.00 0.00 WAT1 ATOM 3641 H1 TIP3 554 15.604 -21.190 39.902 0.00 0.00 WAT1 ATOM 3642 H2 TIP3 554 15.734 -21.955 38.602 0.00 0.00 WAT1 ATOM 3643 OH2 TIP3 555 16.649 -26.687 42.224 0.00 0.00 WAT1 ATOM 3644 H1 TIP3 555 17.232 -27.421 42.415 0.00 0.00 WAT1 ATOM 3645 H2 TIP3 555 17.213 -25.915 42.270 0.00 0.00 WAT1 ATOM 3646 OH2 TIP3 556 18.146 -28.784 42.908 0.00 0.00 WAT1 ATOM 3647 H1 TIP3 556 17.283 -29.163 42.743 0.00 0.00 WAT1 ATOM 3648 H2 TIP3 556 18.750 -29.523 42.834 0.00 0.00 WAT1 ATOM 3649 OH2 TIP3 557 0.426 -31.308 42.736 0.00 0.00 WAT1 ATOM 3650 H1 TIP3 557 1.345 -31.430 42.972 0.00 0.00 WAT1 ATOM 3651 H2 TIP3 557 -0.024 -32.058 43.125 0.00 0.00 WAT1 ATOM 3652 OH2 TIP3 558 2.420 -21.826 43.239 0.00 0.00 WAT1 ATOM 3653 H1 TIP3 558 1.599 -21.651 42.779 0.00 0.00 WAT1 ATOM 3654 H2 TIP3 558 2.168 -21.899 44.160 0.00 0.00 WAT1 ATOM 3655 OH2 TIP3 559 5.374 -20.851 39.498 0.00 0.00 WAT1 ATOM 3656 H1 TIP3 559 4.949 -20.042 39.215 0.00 0.00 WAT1 ATOM 3657 H2 TIP3 559 6.279 -20.766 39.196 0.00 0.00 WAT1 ATOM 3658 OH2 TIP3 560 9.685 -19.452 42.457 0.00 0.00 WAT1 ATOM 3659 H1 TIP3 560 9.870 -19.786 43.335 0.00 0.00 WAT1 ATOM 3660 H2 TIP3 560 10.532 -19.143 42.135 0.00 0.00 WAT1 ATOM 3661 OH2 TIP3 561 2.776 -17.595 39.545 0.00 0.00 WAT1 ATOM 3662 H1 TIP3 561 2.056 -17.155 39.094 0.00 0.00 WAT1 ATOM 3663 H2 TIP3 561 2.410 -17.846 40.394 0.00 0.00 WAT1 ATOM 3664 OH2 TIP3 562 5.243 -17.995 38.575 0.00 0.00 WAT1 ATOM 3665 H1 TIP3 562 4.378 -17.923 38.979 0.00 0.00 WAT1 ATOM 3666 H2 TIP3 562 5.188 -17.448 37.791 0.00 0.00 WAT1 ATOM 3667 OH2 TIP3 563 9.954 -18.107 37.751 0.00 0.00 WAT1 ATOM 3668 H1 TIP3 563 9.497 -17.578 37.097 0.00 0.00 WAT1 ATOM 3669 H2 TIP3 563 10.117 -17.504 38.476 0.00 0.00 WAT1 ATOM 3670 OH2 TIP3 564 12.281 -19.229 38.696 0.00 0.00 WAT1 ATOM 3671 H1 TIP3 564 11.377 -19.064 38.430 0.00 0.00 WAT1 ATOM 3672 H2 TIP3 564 12.710 -18.376 38.630 0.00 0.00 WAT1 ATOM 3673 OH2 TIP3 565 14.886 -17.659 38.991 0.00 0.00 WAT1 ATOM 3674 H1 TIP3 565 14.704 -16.743 38.780 0.00 0.00 WAT1 ATOM 3675 H2 TIP3 565 15.062 -18.069 38.144 0.00 0.00 WAT1 ATOM 3676 OH2 TIP3 566 2.191 -18.972 36.456 0.00 0.00 WAT1 ATOM 3677 H1 TIP3 566 2.172 -19.397 37.313 0.00 0.00 WAT1 ATOM 3678 H2 TIP3 566 2.996 -19.290 36.047 0.00 0.00 WAT1 ATOM 3679 OH2 TIP3 567 11.783 -26.338 51.740 0.00 0.00 WAT1 ATOM 3680 H1 TIP3 567 11.872 -25.394 51.608 0.00 0.00 WAT1 ATOM 3681 H2 TIP3 567 11.144 -26.613 51.082 0.00 0.00 WAT1 ATOM 3682 OH2 TIP3 568 13.123 -32.024 51.566 0.00 0.00 WAT1 ATOM 3683 H1 TIP3 568 13.769 -32.353 52.191 0.00 0.00 WAT1 ATOM 3684 H2 TIP3 568 13.633 -31.506 50.943 0.00 0.00 WAT1 ATOM 3685 OH2 TIP3 569 14.887 -32.733 53.547 0.00 0.00 WAT1 ATOM 3686 H1 TIP3 569 14.672 -33.499 54.079 0.00 0.00 WAT1 ATOM 3687 H2 TIP3 569 15.543 -32.261 54.060 0.00 0.00 WAT1 ATOM 3688 OH2 TIP3 570 10.504 -27.094 49.192 0.00 0.00 WAT1 ATOM 3689 H1 TIP3 570 9.792 -26.559 48.841 0.00 0.00 WAT1 ATOM 3690 H2 TIP3 570 11.195 -27.038 48.532 0.00 0.00 WAT1 ATOM 3691 OH2 TIP3 571 13.910 -26.884 50.144 0.00 0.00 WAT1 ATOM 3692 H1 TIP3 571 13.178 -26.656 50.717 0.00 0.00 WAT1 ATOM 3693 H2 TIP3 571 14.357 -27.598 50.599 0.00 0.00 WAT1 ATOM 3694 OH2 TIP3 572 14.258 -26.689 45.459 0.00 0.00 WAT1 ATOM 3695 H1 TIP3 572 14.300 -26.912 44.529 0.00 0.00 WAT1 ATOM 3696 H2 TIP3 572 15.107 -26.291 45.649 0.00 0.00 WAT1 ATOM 3697 OH2 TIP3 573 11.130 -29.425 50.294 0.00 0.00 WAT1 ATOM 3698 H1 TIP3 573 10.721 -28.610 50.002 0.00 0.00 WAT1 ATOM 3699 H2 TIP3 573 11.850 -29.565 49.679 0.00 0.00 WAT1 ATOM 3700 OH2 TIP3 574 12.134 -29.979 53.108 0.00 0.00 WAT1 ATOM 3701 H1 TIP3 574 11.939 -29.374 52.393 0.00 0.00 WAT1 ATOM 3702 H2 TIP3 574 12.316 -30.813 52.673 0.00 0.00 WAT1 ATOM 3703 OH2 TIP3 575 6.713 -32.368 45.230 0.00 0.00 WAT1 ATOM 3704 H1 TIP3 575 6.282 -32.813 45.960 0.00 0.00 WAT1 ATOM 3705 H2 TIP3 575 5.995 -31.996 44.718 0.00 0.00 WAT1 ATOM 3706 OH2 TIP3 576 1.230 -31.880 47.706 0.00 0.00 WAT1 ATOM 3707 H1 TIP3 576 1.704 -31.289 47.121 0.00 0.00 WAT1 ATOM 3708 H2 TIP3 576 0.512 -31.349 48.053 0.00 0.00 WAT1 ATOM 3709 OH2 TIP3 577 8.176 -32.414 52.563 0.00 0.00 WAT1 ATOM 3710 H1 TIP3 577 7.265 -32.357 52.852 0.00 0.00 WAT1 ATOM 3711 H2 TIP3 577 8.681 -32.474 53.374 0.00 0.00 WAT1 ATOM 3712 OH2 TIP3 578 6.657 -30.785 49.046 0.00 0.00 WAT1 ATOM 3713 H1 TIP3 578 7.589 -30.656 49.224 0.00 0.00 WAT1 ATOM 3714 H2 TIP3 578 6.442 -30.115 48.397 0.00 0.00 WAT1 ATOM 3715 OH2 TIP3 579 5.331 -29.590 46.613 0.00 0.00 WAT1 ATOM 3716 H1 TIP3 579 4.789 -29.970 45.922 0.00 0.00 WAT1 ATOM 3717 H2 TIP3 579 6.165 -29.396 46.184 0.00 0.00 WAT1 ATOM 3718 OH2 TIP3 580 8.666 -25.025 48.549 0.00 0.00 WAT1 ATOM 3719 H1 TIP3 580 7.922 -25.532 48.226 0.00 0.00 WAT1 ATOM 3720 H2 TIP3 580 8.532 -24.976 49.495 0.00 0.00 WAT1 ATOM 3721 OH2 TIP3 581 10.792 -23.566 47.574 0.00 0.00 WAT1 ATOM 3722 H1 TIP3 581 10.497 -22.740 47.956 0.00 0.00 WAT1 ATOM 3723 H2 TIP3 581 10.089 -24.186 47.770 0.00 0.00 WAT1 ATOM 3724 OH2 TIP3 582 18.167 -30.134 48.103 0.00 0.00 WAT1 ATOM 3725 H1 TIP3 582 17.613 -30.530 47.431 0.00 0.00 WAT1 ATOM 3726 H2 TIP3 582 18.268 -29.224 47.826 0.00 0.00 WAT1 ATOM 3727 OH2 TIP3 583 13.855 -23.372 46.389 0.00 0.00 WAT1 ATOM 3728 H1 TIP3 583 14.208 -23.752 47.193 0.00 0.00 WAT1 ATOM 3729 H2 TIP3 583 12.906 -23.465 46.475 0.00 0.00 WAT1 ATOM 3730 OH2 TIP3 584 14.721 -24.699 48.615 0.00 0.00 WAT1 ATOM 3731 H1 TIP3 584 14.444 -25.427 49.171 0.00 0.00 WAT1 ATOM 3732 H2 TIP3 584 15.648 -24.580 48.821 0.00 0.00 WAT1 ATOM 3733 OH2 TIP3 585 7.946 -22.260 44.836 0.00 0.00 WAT1 ATOM 3734 H1 TIP3 585 8.185 -23.008 44.288 0.00 0.00 WAT1 ATOM 3735 H2 TIP3 585 7.677 -22.648 45.668 0.00 0.00 WAT1 ATOM 3736 OH2 TIP3 586 9.152 -31.395 50.013 0.00 0.00 WAT1 ATOM 3737 H1 TIP3 586 9.964 -30.891 50.059 0.00 0.00 WAT1 ATOM 3738 H2 TIP3 586 8.907 -31.540 50.927 0.00 0.00 WAT1 ATOM 3739 OH2 TIP3 587 10.036 -34.314 50.951 0.00 0.00 WAT1 ATOM 3740 H1 TIP3 587 9.689 -33.696 51.596 0.00 0.00 WAT1 ATOM 3741 H2 TIP3 587 10.694 -33.813 50.470 0.00 0.00 WAT1 ATOM 3742 OH2 TIP3 588 5.693 -33.251 47.639 0.00 0.00 WAT1 ATOM 3743 H1 TIP3 588 5.610 -32.362 47.985 0.00 0.00 WAT1 ATOM 3744 H2 TIP3 588 6.583 -33.516 47.870 0.00 0.00 WAT1 ATOM 3745 OH2 TIP3 589 2.268 -30.159 45.815 0.00 0.00 WAT1 ATOM 3746 H1 TIP3 589 2.223 -29.220 45.994 0.00 0.00 WAT1 ATOM 3747 H2 TIP3 589 1.380 -30.395 45.545 0.00 0.00 WAT1 ATOM 3748 OH2 TIP3 590 5.543 -24.670 45.065 0.00 0.00 WAT1 ATOM 3749 H1 TIP3 590 5.607 -25.464 45.596 0.00 0.00 WAT1 ATOM 3750 H2 TIP3 590 6.196 -24.789 44.376 0.00 0.00 WAT1 ATOM 3751 OH2 TIP3 591 10.895 -23.623 44.801 0.00 0.00 WAT1 ATOM 3752 H1 TIP3 591 10.627 -23.443 45.702 0.00 0.00 WAT1 ATOM 3753 H2 TIP3 591 10.689 -24.549 44.670 0.00 0.00 WAT1 ATOM 3754 OH2 TIP3 592 6.692 -26.698 47.371 0.00 0.00 WAT1 ATOM 3755 H1 TIP3 592 6.233 -27.182 48.057 0.00 0.00 WAT1 ATOM 3756 H2 TIP3 592 6.947 -27.366 46.735 0.00 0.00 WAT1 ATOM 3757 OH2 TIP3 593 7.763 -28.455 45.634 0.00 0.00 WAT1 ATOM 3758 H1 TIP3 593 7.583 -28.609 44.706 0.00 0.00 WAT1 ATOM 3759 H2 TIP3 593 8.714 -28.347 45.678 0.00 0.00 WAT1 ATOM 3760 OH2 TIP3 594 17.153 -26.100 45.079 0.00 0.00 WAT1 ATOM 3761 H1 TIP3 594 16.880 -26.525 44.266 0.00 0.00 WAT1 ATOM 3762 H2 TIP3 594 17.193 -25.169 44.862 0.00 0.00 WAT1 ATOM 3763 OH2 TIP3 595 17.612 -25.231 49.054 0.00 0.00 WAT1 ATOM 3764 H1 TIP3 595 18.462 -24.810 49.182 0.00 0.00 WAT1 ATOM 3765 H2 TIP3 595 17.617 -25.971 49.662 0.00 0.00 WAT1 ATOM 3766 OH2 TIP3 596 18.274 -27.277 47.269 0.00 0.00 WAT1 ATOM 3767 H1 TIP3 596 17.753 -26.920 46.550 0.00 0.00 WAT1 ATOM 3768 H2 TIP3 596 18.241 -26.602 47.947 0.00 0.00 WAT1 ATOM 3769 OH2 TIP3 597 15.793 -28.657 51.441 0.00 0.00 WAT1 ATOM 3770 H1 TIP3 597 15.643 -29.602 51.421 0.00 0.00 WAT1 ATOM 3771 H2 TIP3 597 15.439 -28.376 52.285 0.00 0.00 WAT1 ATOM 3772 OH2 TIP3 598 15.503 -31.074 49.903 0.00 0.00 WAT1 ATOM 3773 H1 TIP3 598 15.783 -31.981 50.028 0.00 0.00 WAT1 ATOM 3774 H2 TIP3 598 16.262 -30.640 49.514 0.00 0.00 WAT1 ATOM 3775 OH2 TIP3 599 16.117 -33.811 49.952 0.00 0.00 WAT1 ATOM 3776 H1 TIP3 599 16.299 -34.260 50.777 0.00 0.00 WAT1 ATOM 3777 H2 TIP3 599 15.517 -34.396 49.488 0.00 0.00 WAT1 ATOM 3778 OH2 TIP3 600 15.520 -36.021 54.072 0.00 0.00 WAT1 ATOM 3779 H1 TIP3 600 16.124 -35.473 53.571 0.00 0.00 WAT1 ATOM 3780 H2 TIP3 600 14.651 -35.701 53.832 0.00 0.00 WAT1 ATOM 3781 OH2 TIP3 601 17.247 -34.882 52.406 0.00 0.00 WAT1 ATOM 3782 H1 TIP3 601 17.859 -35.396 51.879 0.00 0.00 WAT1 ATOM 3783 H2 TIP3 601 17.630 -34.004 52.429 0.00 0.00 WAT1 ATOM 3784 OH2 TIP3 602 1.541 -35.696 47.585 0.00 0.00 WAT1 ATOM 3785 H1 TIP3 602 1.980 -35.085 46.994 0.00 0.00 WAT1 ATOM 3786 H2 TIP3 602 0.907 -35.158 48.059 0.00 0.00 WAT1 ATOM 3787 OH2 TIP3 603 7.284 -35.567 51.595 0.00 0.00 WAT1 ATOM 3788 H1 TIP3 603 8.158 -35.179 51.565 0.00 0.00 WAT1 ATOM 3789 H2 TIP3 603 7.148 -35.782 52.518 0.00 0.00 WAT1 ATOM 3790 OH2 TIP3 604 12.841 -35.537 53.244 0.00 0.00 WAT1 ATOM 3791 H1 TIP3 604 12.917 -35.442 52.295 0.00 0.00 WAT1 ATOM 3792 H2 TIP3 604 12.565 -36.445 53.373 0.00 0.00 WAT1 ATOM 3793 OH2 TIP3 605 14.194 -35.511 48.937 0.00 0.00 WAT1 ATOM 3794 H1 TIP3 605 13.491 -34.897 48.727 0.00 0.00 WAT1 ATOM 3795 H2 TIP3 605 13.749 -36.349 49.068 0.00 0.00 WAT1 ATOM 3796 OH2 TIP3 606 3.402 -33.780 46.028 0.00 0.00 WAT1 ATOM 3797 H1 TIP3 606 3.893 -34.410 45.500 0.00 0.00 WAT1 ATOM 3798 H2 TIP3 606 4.025 -33.484 46.691 0.00 0.00 WAT1 ATOM 3799 OH2 TIP3 607 8.428 -33.487 48.485 0.00 0.00 WAT1 ATOM 3800 H1 TIP3 607 8.606 -34.133 49.168 0.00 0.00 WAT1 ATOM 3801 H2 TIP3 607 8.374 -32.653 48.952 0.00 0.00 WAT1 ATOM 3802 OH2 TIP3 608 10.716 -8.227 -1.409 0.00 0.00 WAT1 ATOM 3803 H1 TIP3 608 10.678 -8.873 -0.704 0.00 0.00 WAT1 ATOM 3804 H2 TIP3 608 10.393 -8.693 -2.180 0.00 0.00 WAT1 ATOM 3805 OH2 TIP3 609 9.105 -5.794 -1.003 0.00 0.00 WAT1 ATOM 3806 H1 TIP3 609 9.409 -6.480 -1.597 0.00 0.00 WAT1 ATOM 3807 H2 TIP3 609 9.827 -5.676 -0.385 0.00 0.00 WAT1 ATOM 3808 OH2 TIP3 610 17.768 -14.193 -0.142 0.00 0.00 WAT1 ATOM 3809 H1 TIP3 610 17.817 -13.583 0.594 0.00 0.00 WAT1 ATOM 3810 H2 TIP3 610 18.194 -13.732 -0.865 0.00 0.00 WAT1 ATOM 3811 OH2 TIP3 611 12.246 -11.400 -0.675 0.00 0.00 WAT1 ATOM 3812 H1 TIP3 611 12.389 -12.347 -0.655 0.00 0.00 WAT1 ATOM 3813 H2 TIP3 611 12.140 -11.193 -1.604 0.00 0.00 WAT1 ATOM 3814 OH2 TIP3 612 5.401 -13.299 -3.403 0.00 0.00 WAT1 ATOM 3815 H1 TIP3 612 5.444 -12.439 -3.821 0.00 0.00 WAT1 ATOM 3816 H2 TIP3 612 4.943 -13.851 -4.036 0.00 0.00 WAT1 ATOM 3817 OH2 TIP3 613 13.123 -13.168 -5.002 0.00 0.00 WAT1 ATOM 3818 H1 TIP3 613 13.769 -13.497 -4.377 0.00 0.00 WAT1 ATOM 3819 H2 TIP3 613 13.633 -12.650 -5.625 0.00 0.00 WAT1 ATOM 3820 OH2 TIP3 614 18.160 -12.715 2.094 0.00 0.00 WAT1 ATOM 3821 H1 TIP3 614 17.471 -12.057 1.999 0.00 0.00 WAT1 ATOM 3822 H2 TIP3 614 18.175 -12.912 3.031 0.00 0.00 WAT1 ATOM 3823 OH2 TIP3 615 4.211 -14.381 0.671 0.00 0.00 WAT1 ATOM 3824 H1 TIP3 615 3.992 -13.851 -0.095 0.00 0.00 WAT1 ATOM 3825 H2 TIP3 615 3.543 -14.154 1.319 0.00 0.00 WAT1 ATOM 3826 OH2 TIP3 616 6.780 -6.705 0.959 0.00 0.00 WAT1 ATOM 3827 H1 TIP3 616 6.040 -6.107 1.062 0.00 0.00 WAT1 ATOM 3828 H2 TIP3 616 7.494 -6.151 0.643 0.00 0.00 WAT1 ATOM 3829 OH2 TIP3 617 14.887 -13.877 -3.021 0.00 0.00 WAT1 ATOM 3830 H1 TIP3 617 14.672 -14.643 -2.489 0.00 0.00 WAT1 ATOM 3831 H2 TIP3 617 15.543 -13.405 -2.508 0.00 0.00 WAT1 ATOM 3832 OH2 TIP3 618 3.805 -12.489 -1.376 0.00 0.00 WAT1 ATOM 3833 H1 TIP3 618 4.418 -11.856 -1.003 0.00 0.00 WAT1 ATOM 3834 H2 TIP3 618 4.317 -12.961 -2.033 0.00 0.00 WAT1 ATOM 3835 OH2 TIP3 619 5.188 -4.741 1.746 0.00 0.00 WAT1 ATOM 3836 H1 TIP3 619 5.182 -3.862 1.368 0.00 0.00 WAT1 ATOM 3837 H2 TIP3 619 4.334 -4.824 2.171 0.00 0.00 WAT1 ATOM 3838 OH2 TIP3 620 14.934 -3.448 -0.759 0.00 0.00 WAT1 ATOM 3839 H1 TIP3 620 13.992 -3.390 -0.598 0.00 0.00 WAT1 ATOM 3840 H2 TIP3 620 15.210 -2.542 -0.896 0.00 0.00 WAT1 ATOM 3841 OH2 TIP3 621 15.234 -15.162 0.658 0.00 0.00 WAT1 ATOM 3842 H1 TIP3 621 14.498 -14.551 0.620 0.00 0.00 WAT1 ATOM 3843 H2 TIP3 621 15.918 -14.747 0.132 0.00 0.00 WAT1 ATOM 3844 OH2 TIP3 622 8.237 -17.075 -1.876 0.00 0.00 WAT1 ATOM 3845 H1 TIP3 622 8.120 -18.024 -1.930 0.00 0.00 WAT1 ATOM 3846 H2 TIP3 622 7.382 -16.743 -1.603 0.00 0.00 WAT1 ATOM 3847 OH2 TIP3 623 17.873 -8.860 0.918 0.00 0.00 WAT1 ATOM 3848 H1 TIP3 623 17.221 -8.165 1.007 0.00 0.00 WAT1 ATOM 3849 H2 TIP3 623 18.338 -8.650 0.108 0.00 0.00 WAT1 ATOM 3850 OH2 TIP3 624 13.807 -9.854 2.644 0.00 0.00 WAT1 ATOM 3851 H1 TIP3 624 13.887 -9.091 3.216 0.00 0.00 WAT1 ATOM 3852 H2 TIP3 624 13.206 -9.575 1.953 0.00 0.00 WAT1 ATOM 3853 OH2 TIP3 625 12.231 -3.126 -0.174 0.00 0.00 WAT1 ATOM 3854 H1 TIP3 625 11.990 -2.464 0.474 0.00 0.00 WAT1 ATOM 3855 H2 TIP3 625 12.033 -3.960 0.251 0.00 0.00 WAT1 ATOM 3856 OH2 TIP3 626 6.802 -4.230 3.809 0.00 0.00 WAT1 ATOM 3857 H1 TIP3 626 6.490 -3.448 4.265 0.00 0.00 WAT1 ATOM 3858 H2 TIP3 626 6.152 -4.383 3.123 0.00 0.00 WAT1 ATOM 3859 OH2 TIP3 627 3.722 -8.032 3.038 0.00 0.00 WAT1 ATOM 3860 H1 TIP3 627 3.792 -7.381 3.736 0.00 0.00 WAT1 ATOM 3861 H2 TIP3 627 2.831 -7.929 2.703 0.00 0.00 WAT1 ATOM 3862 OH2 TIP3 628 5.041 -2.158 4.573 0.00 0.00 WAT1 ATOM 3863 H1 TIP3 628 5.049 -2.294 3.625 0.00 0.00 WAT1 ATOM 3864 H2 TIP3 628 4.125 -2.276 4.825 0.00 0.00 WAT1 ATOM 3865 OH2 TIP3 629 18.586 -2.519 4.429 0.00 0.00 WAT1 ATOM 3866 H1 TIP3 629 18.537 -3.474 4.392 0.00 0.00 WAT1 ATOM 3867 H2 TIP3 629 17.760 -2.251 4.831 0.00 0.00 WAT1 ATOM 3868 OH2 TIP3 630 9.565 -2.945 3.305 0.00 0.00 WAT1 ATOM 3869 H1 TIP3 630 9.652 -2.119 3.780 0.00 0.00 WAT1 ATOM 3870 H2 TIP3 630 8.701 -3.275 3.554 0.00 0.00 WAT1 ATOM 3871 OH2 TIP3 631 15.738 -11.026 4.909 0.00 0.00 WAT1 ATOM 3872 H1 TIP3 631 15.331 -10.545 4.189 0.00 0.00 WAT1 ATOM 3873 H2 TIP3 631 15.779 -11.931 4.602 0.00 0.00 WAT1 ATOM 3874 OH2 TIP3 632 5.506 -16.172 -1.098 0.00 0.00 WAT1 ATOM 3875 H1 TIP3 632 4.645 -16.259 -1.506 0.00 0.00 WAT1 ATOM 3876 H2 TIP3 632 5.484 -15.316 -0.671 0.00 0.00 WAT1 ATOM 3877 OH2 TIP3 633 5.597 -11.206 -0.003 0.00 0.00 WAT1 ATOM 3878 H1 TIP3 633 4.955 -11.247 0.706 0.00 0.00 WAT1 ATOM 3879 H2 TIP3 633 5.634 -10.280 -0.241 0.00 0.00 WAT1 ATOM 3880 OH2 TIP3 634 12.134 -11.123 -3.460 0.00 0.00 WAT1 ATOM 3881 H1 TIP3 634 11.939 -10.518 -4.175 0.00 0.00 WAT1 ATOM 3882 H2 TIP3 634 12.316 -11.957 -3.895 0.00 0.00 WAT1 ATOM 3883 OH2 TIP3 635 3.347 -10.886 1.864 0.00 0.00 WAT1 ATOM 3884 H1 TIP3 635 3.309 -10.486 2.732 0.00 0.00 WAT1 ATOM 3885 H2 TIP3 635 2.856 -11.703 1.954 0.00 0.00 WAT1 ATOM 3886 OH2 TIP3 636 11.398 -9.485 1.211 0.00 0.00 WAT1 ATOM 3887 H1 TIP3 636 11.722 -10.116 0.568 0.00 0.00 WAT1 ATOM 3888 H2 TIP3 636 10.958 -10.020 1.872 0.00 0.00 WAT1 ATOM 3889 OH2 TIP3 637 8.176 -13.558 -4.005 0.00 0.00 WAT1 ATOM 3890 H1 TIP3 637 7.265 -13.501 -3.716 0.00 0.00 WAT1 ATOM 3891 H2 TIP3 637 8.681 -13.618 -3.194 0.00 0.00 WAT1 ATOM 3892 OH2 TIP3 638 15.868 1.349 5.536 0.00 0.00 WAT1 ATOM 3893 H1 TIP3 638 16.068 1.773 4.701 0.00 0.00 WAT1 ATOM 3894 H2 TIP3 638 16.524 1.692 6.143 0.00 0.00 WAT1 ATOM 3895 OH2 TIP3 639 3.466 -6.177 5.144 0.00 0.00 WAT1 ATOM 3896 H1 TIP3 639 4.199 -5.923 5.705 0.00 0.00 WAT1 ATOM 3897 H2 TIP3 639 2.686 -5.973 5.659 0.00 0.00 WAT1 ATOM 3898 OH2 TIP3 640 9.496 -10.770 -2.118 0.00 0.00 WAT1 ATOM 3899 H1 TIP3 640 10.060 -11.317 -2.665 0.00 0.00 WAT1 ATOM 3900 H2 TIP3 640 9.348 -11.292 -1.329 0.00 0.00 WAT1 ATOM 3901 OH2 TIP3 641 8.122 -12.382 0.296 0.00 0.00 WAT1 ATOM 3902 H1 TIP3 641 7.287 -11.928 0.406 0.00 0.00 WAT1 ATOM 3903 H2 TIP3 641 8.646 -12.106 1.048 0.00 0.00 WAT1 ATOM 3904 OH2 TIP3 642 15.816 -7.036 0.767 0.00 0.00 WAT1 ATOM 3905 H1 TIP3 642 16.458 -6.579 0.224 0.00 0.00 WAT1 ATOM 3906 H2 TIP3 642 14.986 -6.923 0.305 0.00 0.00 WAT1 ATOM 3907 OH2 TIP3 643 18.131 -5.478 4.372 0.00 0.00 WAT1 ATOM 3908 H1 TIP3 643 17.279 -5.240 4.005 0.00 0.00 WAT1 ATOM 3909 H2 TIP3 643 18.721 -5.495 3.619 0.00 0.00 WAT1 ATOM 3910 OH2 TIP3 644 13.623 -7.684 -0.978 0.00 0.00 WAT1 ATOM 3911 H1 TIP3 644 12.695 -7.916 -1.005 0.00 0.00 WAT1 ATOM 3912 H2 TIP3 644 14.074 -8.461 -1.308 0.00 0.00 WAT1 ATOM 3913 OH2 TIP3 645 8.108 -1.544 1.046 0.00 0.00 WAT1 ATOM 3914 H1 TIP3 645 8.471 -0.689 0.813 0.00 0.00 WAT1 ATOM 3915 H2 TIP3 645 8.640 -1.836 1.787 0.00 0.00 WAT1 ATOM 3916 OH2 TIP3 646 11.652 -5.445 0.747 0.00 0.00 WAT1 ATOM 3917 H1 TIP3 646 11.226 -5.672 1.573 0.00 0.00 WAT1 ATOM 3918 H2 TIP3 646 12.233 -6.183 0.564 0.00 0.00 WAT1 ATOM 3919 OH2 TIP3 647 14.311 -0.893 3.216 0.00 0.00 WAT1 ATOM 3920 H1 TIP3 647 13.709 -1.448 2.721 0.00 0.00 WAT1 ATOM 3921 H2 TIP3 647 14.592 -0.226 2.590 0.00 0.00 WAT1 ATOM 3922 OH2 TIP3 648 2.433 -13.660 2.623 0.00 0.00 WAT1 ATOM 3923 H1 TIP3 648 1.540 -13.321 2.556 0.00 0.00 WAT1 ATOM 3924 H2 TIP3 648 2.334 -14.515 3.041 0.00 0.00 WAT1 ATOM 3925 OH2 TIP3 649 10.036 -15.458 -5.617 0.00 0.00 WAT1 ATOM 3926 H1 TIP3 649 9.689 -14.840 -4.972 0.00 0.00 WAT1 ATOM 3927 H2 TIP3 649 10.694 -14.957 -6.098 0.00 0.00 WAT1 ATOM 3928 OH2 TIP3 650 15.892 -13.646 3.465 0.00 0.00 WAT1 ATOM 3929 H1 TIP3 650 14.976 -13.383 3.377 0.00 0.00 WAT1 ATOM 3930 H2 TIP3 650 16.228 -13.649 2.568 0.00 0.00 WAT1 ATOM 3931 OH2 TIP3 651 14.494 -9.895 -2.439 0.00 0.00 WAT1 ATOM 3932 H1 TIP3 651 13.697 -10.310 -2.768 0.00 0.00 WAT1 ATOM 3933 H2 TIP3 651 14.939 -10.586 -1.948 0.00 0.00 WAT1 ATOM 3934 OH2 TIP3 652 3.076 -16.521 -2.080 0.00 0.00 WAT1 ATOM 3935 H1 TIP3 652 2.847 -16.462 -3.007 0.00 0.00 WAT1 ATOM 3936 H2 TIP3 652 2.633 -17.313 -1.773 0.00 0.00 WAT1 ATOM 3937 OH2 TIP3 653 5.892 -1.049 7.031 0.00 0.00 WAT1 ATOM 3938 H1 TIP3 653 6.660 -1.508 7.372 0.00 0.00 WAT1 ATOM 3939 H2 TIP3 653 5.871 -1.275 6.101 0.00 0.00 WAT1 ATOM 3940 OH2 TIP3 654 1.202 -6.158 6.365 0.00 0.00 WAT1 ATOM 3941 H1 TIP3 654 1.346 -7.060 6.079 0.00 0.00 WAT1 ATOM 3942 H2 TIP3 654 0.429 -5.872 5.877 0.00 0.00 WAT1 ATOM 3943 OH2 TIP3 655 2.034 -8.958 5.785 0.00 0.00 WAT1 ATOM 3944 H1 TIP3 655 2.442 -9.815 5.664 0.00 0.00 WAT1 ATOM 3945 H2 TIP3 655 1.774 -8.943 6.706 0.00 0.00 WAT1 ATOM 3946 OH2 TIP3 656 5.981 -9.949 3.159 0.00 0.00 WAT1 ATOM 3947 H1 TIP3 656 5.363 -9.274 3.440 0.00 0.00 WAT1 ATOM 3948 H2 TIP3 656 6.325 -9.628 2.326 0.00 0.00 WAT1 ATOM 3949 OH2 TIP3 657 8.315 -8.785 1.974 0.00 0.00 WAT1 ATOM 3950 H1 TIP3 657 9.066 -8.941 1.401 0.00 0.00 WAT1 ATOM 3951 H2 TIP3 657 7.976 -7.933 1.698 0.00 0.00 WAT1 ATOM 3952 OH2 TIP3 658 2.980 -13.475 5.858 0.00 0.00 WAT1 ATOM 3953 H1 TIP3 658 3.191 -14.182 5.247 0.00 0.00 WAT1 ATOM 3954 H2 TIP3 658 2.868 -13.913 6.702 0.00 0.00 WAT1 ATOM 3955 OH2 TIP3 659 17.860 -0.422 2.334 0.00 0.00 WAT1 ATOM 3956 H1 TIP3 659 17.373 -1.157 1.963 0.00 0.00 WAT1 ATOM 3957 H2 TIP3 659 18.409 -0.815 3.012 0.00 0.00 WAT1 ATOM 3958 OH2 TIP3 660 17.765 -5.537 -0.742 0.00 0.00 WAT1 ATOM 3959 H1 TIP3 660 18.599 -5.915 -1.023 0.00 0.00 WAT1 ATOM 3960 H2 TIP3 660 17.877 -4.594 -0.861 0.00 0.00 WAT1 ATOM 3961 OH2 TIP3 661 16.252 -2.659 1.565 0.00 0.00 WAT1 ATOM 3962 H1 TIP3 661 15.604 -2.334 2.190 0.00 0.00 WAT1 ATOM 3963 H2 TIP3 661 15.734 -3.099 0.890 0.00 0.00 WAT1 ATOM 3964 OH2 TIP3 662 18.146 -9.928 5.196 0.00 0.00 WAT1 ATOM 3965 H1 TIP3 662 17.283 -10.307 5.031 0.00 0.00 WAT1 ATOM 3966 H2 TIP3 662 18.750 -10.667 5.122 0.00 0.00 WAT1 ATOM 3967 OH2 TIP3 663 16.115 -11.637 -1.229 0.00 0.00 WAT1 ATOM 3968 H1 TIP3 663 17.048 -11.425 -1.263 0.00 0.00 WAT1 ATOM 3969 H2 TIP3 663 15.880 -11.535 -0.306 0.00 0.00 WAT1 ATOM 3970 OH2 TIP3 664 16.144 -10.900 1.547 0.00 0.00 WAT1 ATOM 3971 H1 TIP3 664 15.301 -10.632 1.913 0.00 0.00 WAT1 ATOM 3972 H2 TIP3 664 16.587 -10.078 1.336 0.00 0.00 WAT1 ATOM 3973 OH2 TIP3 665 0.426 -12.452 5.024 0.00 0.00 WAT1 ATOM 3974 H1 TIP3 665 1.345 -12.574 5.260 0.00 0.00 WAT1 ATOM 3975 H2 TIP3 665 -0.024 -13.202 5.413 0.00 0.00 WAT1 ATOM 3976 OH2 TIP3 666 18.427 -16.920 6.901 0.00 0.00 WAT1 ATOM 3977 H1 TIP3 666 18.777 -17.574 6.295 0.00 0.00 WAT1 ATOM 3978 H2 TIP3 666 18.574 -16.083 6.461 0.00 0.00 WAT1 ATOM 3979 OH2 TIP3 667 1.647 -14.140 -2.085 0.00 0.00 WAT1 ATOM 3980 H1 TIP3 667 2.092 -14.932 -1.783 0.00 0.00 WAT1 ATOM 3981 H2 TIP3 667 2.113 -13.424 -1.654 0.00 0.00 WAT1 ATOM 3982 OH2 TIP3 668 17.947 -14.811 5.250 0.00 0.00 WAT1 ATOM 3983 H1 TIP3 668 17.030 -14.540 5.214 0.00 0.00 WAT1 ATOM 3984 H2 TIP3 668 18.070 -15.346 4.466 0.00 0.00 WAT1 ATOM 3985 OH2 TIP3 669 0.228 -16.145 1.383 0.00 0.00 WAT1 ATOM 3986 H1 TIP3 669 -0.437 -16.391 2.026 0.00 0.00 WAT1 ATOM 3987 H2 TIP3 669 -0.215 -15.523 0.806 0.00 0.00 WAT1 ATOM 3988 OH2 TIP3 670 9.685 -0.596 4.745 0.00 0.00 WAT1 ATOM 3989 H1 TIP3 670 9.870 -0.930 5.623 0.00 0.00 WAT1 ATOM 3990 H2 TIP3 670 10.532 -0.287 4.423 0.00 0.00 WAT1 ATOM 3991 OH2 TIP3 671 12.030 0.689 3.989 0.00 0.00 WAT1 ATOM 3992 H1 TIP3 671 12.707 0.057 3.749 0.00 0.00 WAT1 ATOM 3993 H2 TIP3 671 12.352 1.091 4.797 0.00 0.00 WAT1 ATOM 3994 OH2 TIP3 672 16.948 -16.721 3.069 0.00 0.00 WAT1 ATOM 3995 H1 TIP3 672 16.135 -16.396 2.681 0.00 0.00 WAT1 ATOM 3996 H2 TIP3 672 17.181 -17.481 2.536 0.00 0.00 WAT1 ATOM 3997 OH2 TIP3 673 12.281 -0.373 0.984 0.00 0.00 WAT1 ATOM 3998 H1 TIP3 673 11.377 -0.208 0.718 0.00 0.00 WAT1 ATOM 3999 H2 TIP3 673 12.710 0.480 0.918 0.00 0.00 WAT1 ATOM 4000 OH2 TIP3 674 10.378 -15.272 -2.608 0.00 0.00 WAT1 ATOM 4001 H1 TIP3 674 9.703 -15.901 -2.353 0.00 0.00 WAT1 ATOM 4002 H2 TIP3 674 10.942 -15.756 -3.211 0.00 0.00 WAT1 ATOM 4003 OH2 TIP3 675 15.520 -17.165 -2.496 0.00 0.00 WAT1 ATOM 4004 H1 TIP3 675 16.124 -16.617 -2.997 0.00 0.00 WAT1 ATOM 4005 H2 TIP3 675 14.651 -16.845 -2.736 0.00 0.00 WAT1 ATOM 4006 OH2 TIP3 676 7.284 -16.711 -4.973 0.00 0.00 WAT1 ATOM 4007 H1 TIP3 676 8.158 -16.323 -5.003 0.00 0.00 WAT1 ATOM 4008 H2 TIP3 676 7.148 -16.926 -4.050 0.00 0.00 WAT1 ATOM 4009 OH2 TIP3 677 12.841 -16.681 -3.324 0.00 0.00 WAT1 ATOM 4010 H1 TIP3 677 12.917 -16.586 -4.273 0.00 0.00 WAT1 ATOM 4011 H2 TIP3 677 12.565 -17.589 -3.195 0.00 0.00 WAT1 ATOM 4012 OH2 TIP3 678 16.233 -1.368 5.142 0.00 0.00 WAT1 ATOM 4013 H1 TIP3 678 15.451 -1.554 4.622 0.00 0.00 WAT1 ATOM 4014 H2 TIP3 678 16.161 -0.439 5.359 0.00 0.00 WAT1 ATOM 4015 OH2 TIP3 679 10.716 -8.227 17.447 0.00 0.00 WAT1 ATOM 4016 H1 TIP3 679 10.678 -8.873 18.152 0.00 0.00 WAT1 ATOM 4017 H2 TIP3 679 10.393 -8.693 16.676 0.00 0.00 WAT1 ATOM 4018 OH2 TIP3 680 14.422 -5.288 15.749 0.00 0.00 WAT1 ATOM 4019 H1 TIP3 680 13.981 -6.008 16.199 0.00 0.00 WAT1 ATOM 4020 H2 TIP3 680 14.409 -4.567 16.379 0.00 0.00 WAT1 ATOM 4021 OH2 TIP3 681 0.618 -10.502 12.968 0.00 0.00 WAT1 ATOM 4022 H1 TIP3 681 0.170 -9.656 12.950 0.00 0.00 WAT1 ATOM 4023 H2 TIP3 681 0.057 -11.082 12.453 0.00 0.00 WAT1 ATOM 4024 OH2 TIP3 682 1.328 -8.340 15.094 0.00 0.00 WAT1 ATOM 4025 H1 TIP3 682 1.542 -9.110 15.621 0.00 0.00 WAT1 ATOM 4026 H2 TIP3 682 2.066 -8.251 14.491 0.00 0.00 WAT1 ATOM 4027 OH2 TIP3 683 11.533 -0.183 15.961 0.00 0.00 WAT1 ATOM 4028 H1 TIP3 683 12.153 -0.860 15.688 0.00 0.00 WAT1 ATOM 4029 H2 TIP3 683 11.325 -0.401 16.869 0.00 0.00 WAT1 ATOM 4030 OH2 TIP3 684 9.105 -5.794 17.853 0.00 0.00 WAT1 ATOM 4031 H1 TIP3 684 9.409 -6.480 17.259 0.00 0.00 WAT1 ATOM 4032 H2 TIP3 684 9.827 -5.676 18.471 0.00 0.00 WAT1 ATOM 4033 OH2 TIP3 685 17.768 -14.193 18.714 0.00 0.00 WAT1 ATOM 4034 H1 TIP3 685 17.817 -13.583 19.450 0.00 0.00 WAT1 ATOM 4035 H2 TIP3 685 18.194 -13.732 17.991 0.00 0.00 WAT1 ATOM 4036 OH2 TIP3 686 12.246 -11.400 18.181 0.00 0.00 WAT1 ATOM 4037 H1 TIP3 686 12.389 -12.347 18.201 0.00 0.00 WAT1 ATOM 4038 H2 TIP3 686 12.140 -11.193 17.252 0.00 0.00 WAT1 ATOM 4039 OH2 TIP3 687 5.401 -13.299 15.453 0.00 0.00 WAT1 ATOM 4040 H1 TIP3 687 5.444 -12.439 15.035 0.00 0.00 WAT1 ATOM 4041 H2 TIP3 687 4.943 -13.851 14.820 0.00 0.00 WAT1 ATOM 4042 OH2 TIP3 688 13.123 -13.168 13.854 0.00 0.00 WAT1 ATOM 4043 H1 TIP3 688 13.769 -13.497 14.479 0.00 0.00 WAT1 ATOM 4044 H2 TIP3 688 13.633 -12.650 13.231 0.00 0.00 WAT1 ATOM 4045 OH2 TIP3 689 2.021 -10.902 16.215 0.00 0.00 WAT1 ATOM 4046 H1 TIP3 689 2.675 -11.452 16.647 0.00 0.00 WAT1 ATOM 4047 H2 TIP3 689 2.045 -11.176 15.299 0.00 0.00 WAT1 ATOM 4048 OH2 TIP3 690 7.177 -9.352 15.431 0.00 0.00 WAT1 ATOM 4049 H1 TIP3 690 7.793 -9.878 15.940 0.00 0.00 WAT1 ATOM 4050 H2 TIP3 690 6.591 -9.992 15.027 0.00 0.00 WAT1 ATOM 4051 OH2 TIP3 691 18.160 -12.715 20.950 0.00 0.00 WAT1 ATOM 4052 H1 TIP3 691 17.471 -12.057 20.855 0.00 0.00 WAT1 ATOM 4053 H2 TIP3 691 18.175 -12.912 21.887 0.00 0.00 WAT1 ATOM 4054 OH2 TIP3 692 4.211 -14.381 19.527 0.00 0.00 WAT1 ATOM 4055 H1 TIP3 692 3.992 -13.851 18.761 0.00 0.00 WAT1 ATOM 4056 H2 TIP3 692 3.543 -14.154 20.175 0.00 0.00 WAT1 ATOM 4057 OH2 TIP3 693 3.805 -12.489 17.480 0.00 0.00 WAT1 ATOM 4058 H1 TIP3 693 4.418 -11.856 17.853 0.00 0.00 WAT1 ATOM 4059 H2 TIP3 693 4.317 -12.961 16.823 0.00 0.00 WAT1 ATOM 4060 OH2 TIP3 694 1.309 -5.070 11.384 0.00 0.00 WAT1 ATOM 4061 H1 TIP3 694 1.037 -4.841 10.495 0.00 0.00 WAT1 ATOM 4062 H2 TIP3 694 1.354 -4.232 11.844 0.00 0.00 WAT1 ATOM 4063 OH2 TIP3 695 14.934 -3.448 18.097 0.00 0.00 WAT1 ATOM 4064 H1 TIP3 695 13.992 -3.390 18.258 0.00 0.00 WAT1 ATOM 4065 H2 TIP3 695 15.210 -2.542 17.960 0.00 0.00 WAT1 ATOM 4066 OH2 TIP3 696 13.186 -1.667 14.722 0.00 0.00 WAT1 ATOM 4067 H1 TIP3 696 13.611 -2.374 14.237 0.00 0.00 WAT1 ATOM 4068 H2 TIP3 696 13.503 -0.866 14.305 0.00 0.00 WAT1 ATOM 4069 OH2 TIP3 697 17.873 -8.860 19.774 0.00 0.00 WAT1 ATOM 4070 H1 TIP3 697 17.221 -8.165 19.863 0.00 0.00 WAT1 ATOM 4071 H2 TIP3 697 18.338 -8.650 18.964 0.00 0.00 WAT1 ATOM 4072 OH2 TIP3 698 13.807 -9.854 21.500 0.00 0.00 WAT1 ATOM 4073 H1 TIP3 698 13.887 -9.091 22.072 0.00 0.00 WAT1 ATOM 4074 H2 TIP3 698 13.206 -9.575 20.809 0.00 0.00 WAT1 ATOM 4075 OH2 TIP3 699 5.555 -7.398 14.315 0.00 0.00 WAT1 ATOM 4076 H1 TIP3 699 5.225 -7.768 13.496 0.00 0.00 WAT1 ATOM 4077 H2 TIP3 699 6.143 -8.068 14.661 0.00 0.00 WAT1 ATOM 4078 OH2 TIP3 700 5.922 -8.629 17.948 0.00 0.00 WAT1 ATOM 4079 H1 TIP3 700 6.487 -8.508 17.185 0.00 0.00 WAT1 ATOM 4080 H2 TIP3 700 6.241 -7.992 18.587 0.00 0.00 WAT1 ATOM 4081 OH2 TIP3 701 3.722 -8.032 21.894 0.00 0.00 WAT1 ATOM 4082 H1 TIP3 701 3.792 -7.381 22.592 0.00 0.00 WAT1 ATOM 4083 H2 TIP3 701 2.831 -7.929 21.559 0.00 0.00 WAT1 ATOM 4084 OH2 TIP3 702 10.507 -2.129 13.552 0.00 0.00 WAT1 ATOM 4085 H1 TIP3 702 10.981 -1.834 14.330 0.00 0.00 WAT1 ATOM 4086 H2 TIP3 702 9.944 -1.391 13.319 0.00 0.00 WAT1 ATOM 4087 OH2 TIP3 703 9.979 0.827 11.967 0.00 0.00 WAT1 ATOM 4088 H1 TIP3 703 9.904 0.706 11.021 0.00 0.00 WAT1 ATOM 4089 H2 TIP3 703 10.012 1.777 12.086 0.00 0.00 WAT1 ATOM 4090 OH2 TIP3 704 13.081 -0.019 8.970 0.00 0.00 WAT1 ATOM 4091 H1 TIP3 704 13.456 -0.763 8.499 0.00 0.00 WAT1 ATOM 4092 H2 TIP3 704 13.085 -0.289 9.888 0.00 0.00 WAT1 ATOM 4093 OH2 TIP3 705 12.750 -0.093 11.719 0.00 0.00 WAT1 ATOM 4094 H1 TIP3 705 11.815 0.007 11.898 0.00 0.00 WAT1 ATOM 4095 H2 TIP3 705 13.030 -0.802 12.297 0.00 0.00 WAT1 ATOM 4096 OH2 TIP3 706 15.738 -11.026 23.765 0.00 0.00 WAT1 ATOM 4097 H1 TIP3 706 15.331 -10.545 23.045 0.00 0.00 WAT1 ATOM 4098 H2 TIP3 706 15.779 -11.931 23.458 0.00 0.00 WAT1 ATOM 4099 OH2 TIP3 707 5.506 -16.172 17.758 0.00 0.00 WAT1 ATOM 4100 H1 TIP3 707 4.645 -16.259 17.350 0.00 0.00 WAT1 ATOM 4101 H2 TIP3 707 5.484 -15.316 18.185 0.00 0.00 WAT1 ATOM 4102 OH2 TIP3 708 5.597 -11.206 18.853 0.00 0.00 WAT1 ATOM 4103 H1 TIP3 708 4.955 -11.247 19.562 0.00 0.00 WAT1 ATOM 4104 H2 TIP3 708 5.634 -10.280 18.615 0.00 0.00 WAT1 ATOM 4105 OH2 TIP3 709 10.232 -10.394 24.070 0.00 0.00 WAT1 ATOM 4106 H1 TIP3 709 9.669 -11.098 24.390 0.00 0.00 WAT1 ATOM 4107 H2 TIP3 709 11.058 -10.514 24.537 0.00 0.00 WAT1 ATOM 4108 OH2 TIP3 710 12.134 -11.123 15.396 0.00 0.00 WAT1 ATOM 4109 H1 TIP3 710 11.939 -10.518 14.681 0.00 0.00 WAT1 ATOM 4110 H2 TIP3 710 12.316 -11.957 14.961 0.00 0.00 WAT1 ATOM 4111 OH2 TIP3 711 3.347 -10.886 20.720 0.00 0.00 WAT1 ATOM 4112 H1 TIP3 711 3.309 -10.486 21.588 0.00 0.00 WAT1 ATOM 4113 H2 TIP3 711 2.856 -11.703 20.810 0.00 0.00 WAT1 ATOM 4114 OH2 TIP3 712 1.230 -13.024 9.994 0.00 0.00 WAT1 ATOM 4115 H1 TIP3 712 1.704 -12.433 9.409 0.00 0.00 WAT1 ATOM 4116 H2 TIP3 712 0.512 -12.493 10.341 0.00 0.00 WAT1 ATOM 4117 OH2 TIP3 713 11.398 -9.485 20.067 0.00 0.00 WAT1 ATOM 4118 H1 TIP3 713 11.722 -10.116 19.424 0.00 0.00 WAT1 ATOM 4119 H2 TIP3 713 10.958 -10.020 20.728 0.00 0.00 WAT1 ATOM 4120 OH2 TIP3 714 8.176 -13.558 14.851 0.00 0.00 WAT1 ATOM 4121 H1 TIP3 714 7.265 -13.501 15.140 0.00 0.00 WAT1 ATOM 4122 H2 TIP3 714 8.681 -13.618 15.662 0.00 0.00 WAT1 ATOM 4123 OH2 TIP3 715 3.004 -11.929 13.678 0.00 0.00 WAT1 ATOM 4124 H1 TIP3 715 2.115 -11.829 13.338 0.00 0.00 WAT1 ATOM 4125 H2 TIP3 715 3.300 -12.771 13.332 0.00 0.00 WAT1 ATOM 4126 OH2 TIP3 716 9.496 -10.770 16.738 0.00 0.00 WAT1 ATOM 4127 H1 TIP3 716 10.060 -11.317 16.191 0.00 0.00 WAT1 ATOM 4128 H2 TIP3 716 9.348 -11.292 17.527 0.00 0.00 WAT1 ATOM 4129 OH2 TIP3 717 4.498 -14.634 13.156 0.00 0.00 WAT1 ATOM 4130 H1 TIP3 717 4.181 -15.536 13.121 0.00 0.00 WAT1 ATOM 4131 H2 TIP3 717 5.279 -14.632 12.604 0.00 0.00 WAT1 ATOM 4132 OH2 TIP3 718 8.122 -12.382 19.152 0.00 0.00 WAT1 ATOM 4133 H1 TIP3 718 7.287 -11.928 19.262 0.00 0.00 WAT1 ATOM 4134 H2 TIP3 718 8.646 -12.106 19.904 0.00 0.00 WAT1 ATOM 4135 OH2 TIP3 719 3.791 -6.874 16.606 0.00 0.00 WAT1 ATOM 4136 H1 TIP3 719 4.536 -6.876 16.005 0.00 0.00 WAT1 ATOM 4137 H2 TIP3 719 3.869 -7.698 17.088 0.00 0.00 WAT1 ATOM 4138 OH2 TIP3 720 0.799 -8.413 21.921 0.00 0.00 WAT1 ATOM 4139 H1 TIP3 720 1.022 -8.831 22.753 0.00 0.00 WAT1 ATOM 4140 H2 TIP3 720 0.197 -9.026 21.499 0.00 0.00 WAT1 ATOM 4141 OH2 TIP3 721 7.816 -8.896 24.134 0.00 0.00 WAT1 ATOM 4142 H1 TIP3 721 7.520 -9.062 23.239 0.00 0.00 WAT1 ATOM 4143 H2 TIP3 721 8.747 -9.116 24.124 0.00 0.00 WAT1 ATOM 4144 OH2 TIP3 722 18.167 -11.278 10.391 0.00 0.00 WAT1 ATOM 4145 H1 TIP3 722 17.613 -11.674 9.719 0.00 0.00 WAT1 ATOM 4146 H2 TIP3 722 18.268 -10.368 10.114 0.00 0.00 WAT1 ATOM 4147 OH2 TIP3 723 13.623 -7.684 17.878 0.00 0.00 WAT1 ATOM 4148 H1 TIP3 723 12.695 -7.916 17.851 0.00 0.00 WAT1 ATOM 4149 H2 TIP3 723 14.074 -8.461 17.548 0.00 0.00 WAT1 ATOM 4150 OH2 TIP3 724 6.166 -3.356 14.011 0.00 0.00 WAT1 ATOM 4151 H1 TIP3 724 6.693 -2.583 13.810 0.00 0.00 WAT1 ATOM 4152 H2 TIP3 724 5.286 -3.131 13.709 0.00 0.00 WAT1 ATOM 4153 OH2 TIP3 725 1.921 -8.494 8.598 0.00 0.00 WAT1 ATOM 4154 H1 TIP3 725 2.537 -7.867 8.977 0.00 0.00 WAT1 ATOM 4155 H2 TIP3 725 1.059 -8.178 8.869 0.00 0.00 WAT1 ATOM 4156 OH2 TIP3 726 7.593 -5.693 13.587 0.00 0.00 WAT1 ATOM 4157 H1 TIP3 726 7.352 -4.768 13.629 0.00 0.00 WAT1 ATOM 4158 H2 TIP3 726 6.853 -6.152 13.983 0.00 0.00 WAT1 ATOM 4159 OH2 TIP3 727 2.433 -13.660 21.479 0.00 0.00 WAT1 ATOM 4160 H1 TIP3 727 1.540 -13.321 21.412 0.00 0.00 WAT1 ATOM 4161 H2 TIP3 727 2.334 -14.515 21.897 0.00 0.00 WAT1 ATOM 4162 OH2 TIP3 728 7.946 -3.404 7.124 0.00 0.00 WAT1 ATOM 4163 H1 TIP3 728 8.185 -4.152 6.576 0.00 0.00 WAT1 ATOM 4164 H2 TIP3 728 7.677 -3.792 7.956 0.00 0.00 WAT1 ATOM 4165 OH2 TIP3 729 6.883 -3.834 9.580 0.00 0.00 WAT1 ATOM 4166 H1 TIP3 729 7.030 -4.354 10.370 0.00 0.00 WAT1 ATOM 4167 H2 TIP3 729 6.880 -2.927 9.886 0.00 0.00 WAT1 ATOM 4168 OH2 TIP3 730 3.336 -6.581 10.090 0.00 0.00 WAT1 ATOM 4169 H1 TIP3 730 2.650 -6.229 10.657 0.00 0.00 WAT1 ATOM 4170 H2 TIP3 730 3.859 -5.818 9.844 0.00 0.00 WAT1 ATOM 4171 OH2 TIP3 731 11.952 -14.267 11.466 0.00 0.00 WAT1 ATOM 4172 H1 TIP3 731 12.172 -13.795 10.663 0.00 0.00 WAT1 ATOM 4173 H2 TIP3 731 12.510 -13.872 12.137 0.00 0.00 WAT1 ATOM 4174 OH2 TIP3 732 9.621 -2.136 10.329 0.00 0.00 WAT1 ATOM 4175 H1 TIP3 732 8.804 -1.639 10.382 0.00 0.00 WAT1 ATOM 4176 H2 TIP3 732 10.150 -1.661 9.689 0.00 0.00 WAT1 ATOM 4177 OH2 TIP3 733 10.036 -15.458 13.239 0.00 0.00 WAT1 ATOM 4178 H1 TIP3 733 9.689 -14.840 13.884 0.00 0.00 WAT1 ATOM 4179 H2 TIP3 733 10.694 -14.957 12.758 0.00 0.00 WAT1 ATOM 4180 OH2 TIP3 734 6.959 -1.093 10.311 0.00 0.00 WAT1 ATOM 4181 H1 TIP3 734 7.120 -0.293 9.810 0.00 0.00 WAT1 ATOM 4182 H2 TIP3 734 6.762 -0.786 11.196 0.00 0.00 WAT1 ATOM 4183 OH2 TIP3 735 15.892 -13.646 22.321 0.00 0.00 WAT1 ATOM 4184 H1 TIP3 735 14.976 -13.383 22.233 0.00 0.00 WAT1 ATOM 4185 H2 TIP3 735 16.228 -13.649 21.424 0.00 0.00 WAT1 ATOM 4186 OH2 TIP3 736 14.494 -9.895 16.417 0.00 0.00 WAT1 ATOM 4187 H1 TIP3 736 13.697 -10.310 16.088 0.00 0.00 WAT1 ATOM 4188 H2 TIP3 736 14.939 -10.586 16.908 0.00 0.00 WAT1 ATOM 4189 OH2 TIP3 737 3.952 -3.967 8.987 0.00 0.00 WAT1 ATOM 4190 H1 TIP3 737 4.544 -3.268 9.263 0.00 0.00 WAT1 ATOM 4191 H2 TIP3 737 4.411 -4.400 8.268 0.00 0.00 WAT1 ATOM 4192 OH2 TIP3 738 2.268 -11.303 8.103 0.00 0.00 WAT1 ATOM 4193 H1 TIP3 738 2.223 -10.364 8.282 0.00 0.00 WAT1 ATOM 4194 H2 TIP3 738 1.380 -11.539 7.833 0.00 0.00 WAT1 ATOM 4195 OH2 TIP3 739 3.076 -16.521 16.776 0.00 0.00 WAT1 ATOM 4196 H1 TIP3 739 2.847 -16.462 15.849 0.00 0.00 WAT1 ATOM 4197 H2 TIP3 739 2.633 -17.313 17.083 0.00 0.00 WAT1 ATOM 4198 OH2 TIP3 740 9.984 -1.541 7.262 0.00 0.00 WAT1 ATOM 4199 H1 TIP3 740 9.340 -2.172 7.584 0.00 0.00 WAT1 ATOM 4200 H2 TIP3 740 10.746 -2.072 7.030 0.00 0.00 WAT1 ATOM 4201 OH2 TIP3 741 5.543 -5.814 7.353 0.00 0.00 WAT1 ATOM 4202 H1 TIP3 741 5.607 -6.608 7.884 0.00 0.00 WAT1 ATOM 4203 H2 TIP3 741 6.196 -5.933 6.664 0.00 0.00 WAT1 ATOM 4204 OH2 TIP3 742 2.034 -8.958 24.641 0.00 0.00 WAT1 ATOM 4205 H1 TIP3 742 2.442 -9.815 24.520 0.00 0.00 WAT1 ATOM 4206 H2 TIP3 742 1.774 -8.943 25.562 0.00 0.00 WAT1 ATOM 4207 OH2 TIP3 743 5.981 -9.949 22.015 0.00 0.00 WAT1 ATOM 4208 H1 TIP3 743 5.363 -9.274 22.296 0.00 0.00 WAT1 ATOM 4209 H2 TIP3 743 6.325 -9.628 21.182 0.00 0.00 WAT1 ATOM 4210 OH2 TIP3 744 11.001 -7.478 25.293 0.00 0.00 WAT1 ATOM 4211 H1 TIP3 744 11.954 -7.394 25.265 0.00 0.00 WAT1 ATOM 4212 H2 TIP3 744 10.841 -8.189 25.912 0.00 0.00 WAT1 ATOM 4213 OH2 TIP3 745 8.315 -8.785 20.830 0.00 0.00 WAT1 ATOM 4214 H1 TIP3 745 9.066 -8.941 20.257 0.00 0.00 WAT1 ATOM 4215 H2 TIP3 745 7.976 -7.933 20.554 0.00 0.00 WAT1 ATOM 4216 OH2 TIP3 746 14.047 -8.181 23.936 0.00 0.00 WAT1 ATOM 4217 H1 TIP3 746 13.766 -7.472 23.358 0.00 0.00 WAT1 ATOM 4218 H2 TIP3 746 14.990 -8.254 23.785 0.00 0.00 WAT1 ATOM 4219 OH2 TIP3 747 7.661 1.092 8.923 0.00 0.00 WAT1 ATOM 4220 H1 TIP3 747 8.594 1.250 9.067 0.00 0.00 WAT1 ATOM 4221 H2 TIP3 747 7.397 1.767 8.298 0.00 0.00 WAT1 ATOM 4222 OH2 TIP3 748 1.229 -4.272 8.406 0.00 0.00 WAT1 ATOM 4223 H1 TIP3 748 2.143 -4.193 8.679 0.00 0.00 WAT1 ATOM 4224 H2 TIP3 748 1.236 -4.959 7.739 0.00 0.00 WAT1 ATOM 4225 OH2 TIP3 749 18.006 -8.322 13.166 0.00 0.00 WAT1 ATOM 4226 H1 TIP3 749 17.280 -8.801 13.564 0.00 0.00 WAT1 ATOM 4227 H2 TIP3 749 18.587 -8.116 13.898 0.00 0.00 WAT1 ATOM 4228 OH2 TIP3 750 17.765 -5.537 18.114 0.00 0.00 WAT1 ATOM 4229 H1 TIP3 750 18.599 -5.915 17.833 0.00 0.00 WAT1 ATOM 4230 H2 TIP3 750 17.877 -4.594 17.995 0.00 0.00 WAT1 ATOM 4231 OH2 TIP3 751 18.274 -8.421 9.557 0.00 0.00 WAT1 ATOM 4232 H1 TIP3 751 17.753 -8.064 8.838 0.00 0.00 WAT1 ATOM 4233 H2 TIP3 751 18.241 -7.746 10.235 0.00 0.00 WAT1 ATOM 4234 OH2 TIP3 752 16.623 -11.181 8.108 0.00 0.00 WAT1 ATOM 4235 H1 TIP3 752 16.720 -10.514 7.428 0.00 0.00 WAT1 ATOM 4236 H2 TIP3 752 16.483 -11.997 7.626 0.00 0.00 WAT1 ATOM 4237 OH2 TIP3 753 15.793 -9.801 13.729 0.00 0.00 WAT1 ATOM 4238 H1 TIP3 753 15.643 -10.746 13.709 0.00 0.00 WAT1 ATOM 4239 H2 TIP3 753 15.439 -9.520 14.573 0.00 0.00 WAT1 ATOM 4240 OH2 TIP3 754 18.146 -9.928 24.052 0.00 0.00 WAT1 ATOM 4241 H1 TIP3 754 17.283 -10.307 23.887 0.00 0.00 WAT1 ATOM 4242 H2 TIP3 754 18.750 -10.667 23.978 0.00 0.00 WAT1 ATOM 4243 OH2 TIP3 755 15.871 -13.773 7.225 0.00 0.00 WAT1 ATOM 4244 H1 TIP3 755 16.481 -14.145 7.862 0.00 0.00 WAT1 ATOM 4245 H2 TIP3 755 15.034 -14.195 7.421 0.00 0.00 WAT1 ATOM 4246 OH2 TIP3 756 15.503 -12.218 12.191 0.00 0.00 WAT1 ATOM 4247 H1 TIP3 756 15.783 -13.125 12.316 0.00 0.00 WAT1 ATOM 4248 H2 TIP3 756 16.262 -11.784 11.802 0.00 0.00 WAT1 ATOM 4249 OH2 TIP3 757 16.115 -11.637 17.627 0.00 0.00 WAT1 ATOM 4250 H1 TIP3 757 17.048 -11.425 17.593 0.00 0.00 WAT1 ATOM 4251 H2 TIP3 757 15.880 -11.535 18.550 0.00 0.00 WAT1 ATOM 4252 OH2 TIP3 758 16.144 -10.900 20.403 0.00 0.00 WAT1 ATOM 4253 H1 TIP3 758 15.301 -10.632 20.769 0.00 0.00 WAT1 ATOM 4254 H2 TIP3 758 16.587 -10.078 20.192 0.00 0.00 WAT1 ATOM 4255 OH2 TIP3 759 0.426 -12.452 23.880 0.00 0.00 WAT1 ATOM 4256 H1 TIP3 759 1.345 -12.574 24.116 0.00 0.00 WAT1 ATOM 4257 H2 TIP3 759 -0.024 -13.202 24.269 0.00 0.00 WAT1 ATOM 4258 OH2 TIP3 760 1.647 -14.140 16.771 0.00 0.00 WAT1 ATOM 4259 H1 TIP3 760 2.092 -14.932 17.073 0.00 0.00 WAT1 ATOM 4260 H2 TIP3 760 2.113 -13.424 17.202 0.00 0.00 WAT1 ATOM 4261 OH2 TIP3 761 17.983 -14.888 8.768 0.00 0.00 WAT1 ATOM 4262 H1 TIP3 761 18.396 -15.609 8.292 0.00 0.00 WAT1 ATOM 4263 H2 TIP3 761 18.665 -14.218 8.826 0.00 0.00 WAT1 ATOM 4264 OH2 TIP3 762 0.264 -14.883 11.895 0.00 0.00 WAT1 ATOM 4265 H1 TIP3 762 -0.661 -14.674 11.765 0.00 0.00 WAT1 ATOM 4266 H2 TIP3 762 0.718 -14.399 11.205 0.00 0.00 WAT1 ATOM 4267 OH2 TIP3 763 15.035 0.101 13.840 0.00 0.00 WAT1 ATOM 4268 H1 TIP3 763 15.688 -0.246 13.232 0.00 0.00 WAT1 ATOM 4269 H2 TIP3 763 15.546 0.590 14.486 0.00 0.00 WAT1 ATOM 4270 OH2 TIP3 764 0.228 -16.145 20.239 0.00 0.00 WAT1 ATOM 4271 H1 TIP3 764 -0.437 -16.391 20.882 0.00 0.00 WAT1 ATOM 4272 H2 TIP3 764 -0.215 -15.523 19.662 0.00 0.00 WAT1 ATOM 4273 OH2 TIP3 765 10.378 -15.272 16.248 0.00 0.00 WAT1 ATOM 4274 H1 TIP3 765 9.703 -15.901 16.503 0.00 0.00 WAT1 ATOM 4275 H2 TIP3 765 10.942 -15.756 15.645 0.00 0.00 WAT1 ATOM 4276 OH2 TIP3 766 2.704 -16.638 14.070 0.00 0.00 WAT1 ATOM 4277 H1 TIP3 766 1.927 -16.872 13.562 0.00 0.00 WAT1 ATOM 4278 H2 TIP3 766 3.235 -17.435 14.078 0.00 0.00 WAT1 ATOM 4279 OH2 TIP3 767 1.541 -16.840 9.873 0.00 0.00 WAT1 ATOM 4280 H1 TIP3 767 1.980 -16.229 9.282 0.00 0.00 WAT1 ATOM 4281 H2 TIP3 767 0.907 -16.302 10.347 0.00 0.00 WAT1 ATOM 4282 OH2 TIP3 768 7.284 -16.711 13.883 0.00 0.00 WAT1 ATOM 4283 H1 TIP3 768 8.158 -16.323 13.853 0.00 0.00 WAT1 ATOM 4284 H2 TIP3 768 7.148 -16.926 14.806 0.00 0.00 WAT1 ATOM 4285 OH2 TIP3 769 3.402 -14.924 8.316 0.00 0.00 WAT1 ATOM 4286 H1 TIP3 769 3.893 -15.554 7.788 0.00 0.00 WAT1 ATOM 4287 H2 TIP3 769 4.025 -14.628 8.979 0.00 0.00 WAT1 ATOM 4288 OH2 TIP3 770 10.306 0.318 9.168 0.00 0.00 WAT1 ATOM 4289 H1 TIP3 770 11.172 0.684 8.990 0.00 0.00 WAT1 ATOM 4290 H2 TIP3 770 10.059 -0.122 8.355 0.00 0.00 WAT1 ATOM 4291 OH2 TIP3 771 0.618 -10.502 31.824 0.00 0.00 WAT1 ATOM 4292 H1 TIP3 771 0.170 -9.656 31.806 0.00 0.00 WAT1 ATOM 4293 H2 TIP3 771 0.057 -11.082 31.309 0.00 0.00 WAT1 ATOM 4294 OH2 TIP3 772 17.768 -14.193 37.570 0.00 0.00 WAT1 ATOM 4295 H1 TIP3 772 17.817 -13.583 38.306 0.00 0.00 WAT1 ATOM 4296 H2 TIP3 772 18.194 -13.732 36.847 0.00 0.00 WAT1 ATOM 4297 OH2 TIP3 773 12.246 -11.400 37.037 0.00 0.00 WAT1 ATOM 4298 H1 TIP3 773 12.389 -12.347 37.057 0.00 0.00 WAT1 ATOM 4299 H2 TIP3 773 12.140 -11.193 36.108 0.00 0.00 WAT1 ATOM 4300 OH2 TIP3 774 5.401 -13.299 34.309 0.00 0.00 WAT1 ATOM 4301 H1 TIP3 774 5.444 -12.439 33.891 0.00 0.00 WAT1 ATOM 4302 H2 TIP3 774 4.943 -13.851 33.676 0.00 0.00 WAT1 ATOM 4303 OH2 TIP3 775 13.123 -13.168 32.710 0.00 0.00 WAT1 ATOM 4304 H1 TIP3 775 13.769 -13.497 33.335 0.00 0.00 WAT1 ATOM 4305 H2 TIP3 775 13.633 -12.650 32.087 0.00 0.00 WAT1 ATOM 4306 OH2 TIP3 776 18.160 -12.715 39.806 0.00 0.00 WAT1 ATOM 4307 H1 TIP3 776 17.471 -12.057 39.711 0.00 0.00 WAT1 ATOM 4308 H2 TIP3 776 18.175 -12.912 40.743 0.00 0.00 WAT1 ATOM 4309 OH2 TIP3 777 4.211 -14.381 38.383 0.00 0.00 WAT1 ATOM 4310 H1 TIP3 777 3.992 -13.851 37.617 0.00 0.00 WAT1 ATOM 4311 H2 TIP3 777 3.543 -14.154 39.031 0.00 0.00 WAT1 ATOM 4312 OH2 TIP3 778 15.234 -15.162 38.370 0.00 0.00 WAT1 ATOM 4313 H1 TIP3 778 14.498 -14.551 38.332 0.00 0.00 WAT1 ATOM 4314 H2 TIP3 778 15.918 -14.747 37.844 0.00 0.00 WAT1 ATOM 4315 OH2 TIP3 779 8.237 -17.075 35.836 0.00 0.00 WAT1 ATOM 4316 H1 TIP3 779 8.120 -18.024 35.782 0.00 0.00 WAT1 ATOM 4317 H2 TIP3 779 7.382 -16.743 36.109 0.00 0.00 WAT1 ATOM 4318 OH2 TIP3 780 10.504 -8.238 30.336 0.00 0.00 WAT1 ATOM 4319 H1 TIP3 780 9.792 -7.703 29.985 0.00 0.00 WAT1 ATOM 4320 H2 TIP3 780 11.195 -8.182 29.676 0.00 0.00 WAT1 ATOM 4321 OH2 TIP3 781 10.558 -9.780 27.375 0.00 0.00 WAT1 ATOM 4322 H1 TIP3 781 11.259 -9.758 28.026 0.00 0.00 WAT1 ATOM 4323 H2 TIP3 781 10.860 -10.408 26.719 0.00 0.00 WAT1 ATOM 4324 OH2 TIP3 782 13.910 -8.028 31.288 0.00 0.00 WAT1 ATOM 4325 H1 TIP3 782 13.178 -7.800 31.861 0.00 0.00 WAT1 ATOM 4326 H2 TIP3 782 14.357 -8.742 31.743 0.00 0.00 WAT1 ATOM 4327 OH2 TIP3 783 12.781 -8.866 28.973 0.00 0.00 WAT1 ATOM 4328 H1 TIP3 783 13.360 -8.716 29.720 0.00 0.00 WAT1 ATOM 4329 H2 TIP3 783 13.195 -8.395 28.250 0.00 0.00 WAT1 ATOM 4330 OH2 TIP3 784 5.506 -16.172 36.614 0.00 0.00 WAT1 ATOM 4331 H1 TIP3 784 4.645 -16.259 36.206 0.00 0.00 WAT1 ATOM 4332 H2 TIP3 784 5.484 -15.316 37.041 0.00 0.00 WAT1 ATOM 4333 OH2 TIP3 785 14.258 -7.833 26.603 0.00 0.00 WAT1 ATOM 4334 H1 TIP3 785 14.300 -8.056 25.673 0.00 0.00 WAT1 ATOM 4335 H2 TIP3 785 15.107 -7.435 26.793 0.00 0.00 WAT1 ATOM 4336 OH2 TIP3 786 5.594 -10.985 32.621 0.00 0.00 WAT1 ATOM 4337 H1 TIP3 786 4.701 -11.326 32.562 0.00 0.00 WAT1 ATOM 4338 H2 TIP3 786 6.045 -11.362 31.865 0.00 0.00 WAT1 ATOM 4339 OH2 TIP3 787 11.130 -10.569 31.438 0.00 0.00 WAT1 ATOM 4340 H1 TIP3 787 10.721 -9.754 31.146 0.00 0.00 WAT1 ATOM 4341 H2 TIP3 787 11.850 -10.709 30.823 0.00 0.00 WAT1 ATOM 4342 OH2 TIP3 788 12.134 -11.123 34.252 0.00 0.00 WAT1 ATOM 4343 H1 TIP3 788 11.939 -10.518 33.537 0.00 0.00 WAT1 ATOM 4344 H2 TIP3 788 12.316 -11.957 33.817 0.00 0.00 WAT1 ATOM 4345 OH2 TIP3 789 -0.045 -13.770 33.426 0.00 0.00 WAT1 ATOM 4346 H1 TIP3 789 0.586 -13.799 34.146 0.00 0.00 WAT1 ATOM 4347 H2 TIP3 789 0.405 -14.195 32.696 0.00 0.00 WAT1 ATOM 4348 OH2 TIP3 790 1.230 -13.024 28.850 0.00 0.00 WAT1 ATOM 4349 H1 TIP3 790 1.704 -12.433 28.265 0.00 0.00 WAT1 ATOM 4350 H2 TIP3 790 0.512 -12.493 29.197 0.00 0.00 WAT1 ATOM 4351 OH2 TIP3 791 8.176 -13.558 33.707 0.00 0.00 WAT1 ATOM 4352 H1 TIP3 791 7.265 -13.501 33.996 0.00 0.00 WAT1 ATOM 4353 H2 TIP3 791 8.681 -13.618 34.518 0.00 0.00 WAT1 ATOM 4354 OH2 TIP3 792 3.004 -11.929 32.534 0.00 0.00 WAT1 ATOM 4355 H1 TIP3 792 2.115 -11.829 32.194 0.00 0.00 WAT1 ATOM 4356 H2 TIP3 792 3.300 -12.771 32.188 0.00 0.00 WAT1 ATOM 4357 OH2 TIP3 793 6.657 -11.929 30.190 0.00 0.00 WAT1 ATOM 4358 H1 TIP3 793 7.589 -11.800 30.368 0.00 0.00 WAT1 ATOM 4359 H2 TIP3 793 6.442 -11.259 29.541 0.00 0.00 WAT1 ATOM 4360 OH2 TIP3 794 12.581 -14.323 36.971 0.00 0.00 WAT1 ATOM 4361 H1 TIP3 794 11.904 -14.192 37.635 0.00 0.00 WAT1 ATOM 4362 H2 TIP3 794 12.095 -14.478 36.161 0.00 0.00 WAT1 ATOM 4363 OH2 TIP3 795 5.331 -10.734 27.757 0.00 0.00 WAT1 ATOM 4364 H1 TIP3 795 4.789 -11.114 27.066 0.00 0.00 WAT1 ATOM 4365 H2 TIP3 795 6.165 -10.540 27.328 0.00 0.00 WAT1 ATOM 4366 OH2 TIP3 796 1.921 -8.494 27.454 0.00 0.00 WAT1 ATOM 4367 H1 TIP3 796 2.537 -7.867 27.833 0.00 0.00 WAT1 ATOM 4368 H2 TIP3 796 1.059 -8.178 27.725 0.00 0.00 WAT1 ATOM 4369 OH2 TIP3 797 11.168 -13.919 39.225 0.00 0.00 WAT1 ATOM 4370 H1 TIP3 797 11.866 -13.845 39.875 0.00 0.00 WAT1 ATOM 4371 H2 TIP3 797 10.787 -14.783 39.380 0.00 0.00 WAT1 ATOM 4372 OH2 TIP3 798 9.152 -12.539 31.157 0.00 0.00 WAT1 ATOM 4373 H1 TIP3 798 9.964 -12.035 31.203 0.00 0.00 WAT1 ATOM 4374 H2 TIP3 798 8.907 -12.684 32.071 0.00 0.00 WAT1 ATOM 4375 OH2 TIP3 799 15.892 -13.646 41.177 0.00 0.00 WAT1 ATOM 4376 H1 TIP3 799 14.976 -13.383 41.089 0.00 0.00 WAT1 ATOM 4377 H2 TIP3 799 16.228 -13.649 40.280 0.00 0.00 WAT1 ATOM 4378 OH2 TIP3 800 14.494 -9.895 35.273 0.00 0.00 WAT1 ATOM 4379 H1 TIP3 800 13.697 -10.310 34.944 0.00 0.00 WAT1 ATOM 4380 H2 TIP3 800 14.939 -10.586 35.764 0.00 0.00 WAT1 ATOM 4381 OH2 TIP3 801 2.268 -11.303 26.959 0.00 0.00 WAT1 ATOM 4382 H1 TIP3 801 2.223 -10.364 27.138 0.00 0.00 WAT1 ATOM 4383 H2 TIP3 801 1.380 -11.539 26.689 0.00 0.00 WAT1 ATOM 4384 OH2 TIP3 802 3.076 -16.521 35.632 0.00 0.00 WAT1 ATOM 4385 H1 TIP3 802 2.847 -16.462 34.705 0.00 0.00 WAT1 ATOM 4386 H2 TIP3 802 2.633 -17.313 35.939 0.00 0.00 WAT1 ATOM 4387 OH2 TIP3 803 6.692 -7.842 28.515 0.00 0.00 WAT1 ATOM 4388 H1 TIP3 803 6.233 -8.326 29.201 0.00 0.00 WAT1 ATOM 4389 H2 TIP3 803 6.947 -8.510 27.879 0.00 0.00 WAT1 ATOM 4390 OH2 TIP3 804 7.763 -9.599 26.778 0.00 0.00 WAT1 ATOM 4391 H1 TIP3 804 7.583 -9.753 25.850 0.00 0.00 WAT1 ATOM 4392 H2 TIP3 804 8.714 -9.491 26.822 0.00 0.00 WAT1 ATOM 4393 OH2 TIP3 805 17.153 -7.244 26.223 0.00 0.00 WAT1 ATOM 4394 H1 TIP3 805 16.880 -7.669 25.410 0.00 0.00 WAT1 ATOM 4395 H2 TIP3 805 17.193 -6.313 26.006 0.00 0.00 WAT1 ATOM 4396 OH2 TIP3 806 7.539 -16.768 39.878 0.00 0.00 WAT1 ATOM 4397 H1 TIP3 806 7.441 -15.821 39.772 0.00 0.00 WAT1 ATOM 4398 H2 TIP3 806 6.796 -17.140 39.402 0.00 0.00 WAT1 ATOM 4399 OH2 TIP3 807 17.612 -6.375 30.198 0.00 0.00 WAT1 ATOM 4400 H1 TIP3 807 18.462 -5.954 30.326 0.00 0.00 WAT1 ATOM 4401 H2 TIP3 807 17.617 -7.115 30.806 0.00 0.00 WAT1 ATOM 4402 OH2 TIP3 808 18.006 -8.322 32.022 0.00 0.00 WAT1 ATOM 4403 H1 TIP3 808 17.280 -8.801 32.420 0.00 0.00 WAT1 ATOM 4404 H2 TIP3 808 18.587 -8.116 32.754 0.00 0.00 WAT1 ATOM 4405 OH2 TIP3 809 18.274 -8.421 28.413 0.00 0.00 WAT1 ATOM 4406 H1 TIP3 809 17.753 -8.064 27.694 0.00 0.00 WAT1 ATOM 4407 H2 TIP3 809 18.241 -7.746 29.091 0.00 0.00 WAT1 ATOM 4408 OH2 TIP3 810 15.793 -9.801 32.585 0.00 0.00 WAT1 ATOM 4409 H1 TIP3 810 15.643 -10.746 32.565 0.00 0.00 WAT1 ATOM 4410 H2 TIP3 810 15.439 -9.520 33.429 0.00 0.00 WAT1 ATOM 4411 OH2 TIP3 811 16.115 -11.637 36.483 0.00 0.00 WAT1 ATOM 4412 H1 TIP3 811 17.048 -11.425 36.449 0.00 0.00 WAT1 ATOM 4413 H2 TIP3 811 15.880 -11.535 37.406 0.00 0.00 WAT1 ATOM 4414 OH2 TIP3 812 1.647 -14.140 35.627 0.00 0.00 WAT1 ATOM 4415 H1 TIP3 812 2.092 -14.932 35.929 0.00 0.00 WAT1 ATOM 4416 H2 TIP3 812 2.113 -13.424 36.058 0.00 0.00 WAT1 ATOM 4417 OH2 TIP3 813 0.228 -16.145 39.095 0.00 0.00 WAT1 ATOM 4418 H1 TIP3 813 -0.437 -16.391 39.738 0.00 0.00 WAT1 ATOM 4419 H2 TIP3 813 -0.215 -15.523 38.518 0.00 0.00 WAT1 ATOM 4420 OH2 TIP3 814 16.948 -16.721 40.781 0.00 0.00 WAT1 ATOM 4421 H1 TIP3 814 16.135 -16.396 40.393 0.00 0.00 WAT1 ATOM 4422 H2 TIP3 814 17.181 -17.481 40.248 0.00 0.00 WAT1 ATOM 4423 OH2 TIP3 815 10.378 -15.272 35.104 0.00 0.00 WAT1 ATOM 4424 H1 TIP3 815 9.703 -15.901 35.359 0.00 0.00 WAT1 ATOM 4425 H2 TIP3 815 10.942 -15.756 34.501 0.00 0.00 WAT1 ATOM 4426 OH2 TIP3 816 13.153 4.171 6.810 0.00 0.00 WAT1 ATOM 4427 H1 TIP3 816 13.056 3.219 6.804 0.00 0.00 WAT1 ATOM 4428 H2 TIP3 816 12.831 4.440 7.671 0.00 0.00 WAT1 ATOM 4429 OH2 TIP3 817 18.427 1.936 6.901 0.00 0.00 WAT1 ATOM 4430 H1 TIP3 817 18.777 1.282 6.295 0.00 0.00 WAT1 ATOM 4431 H2 TIP3 817 18.574 2.773 6.461 0.00 0.00 WAT1 ATOM 4432 OH2 TIP3 818 17.947 4.045 5.250 0.00 0.00 WAT1 ATOM 4433 H1 TIP3 818 17.030 4.316 5.214 0.00 0.00 WAT1 ATOM 4434 H2 TIP3 818 18.070 3.510 4.466 0.00 0.00 WAT1 ATOM 4435 OH2 TIP3 819 16.948 2.135 3.069 0.00 0.00 WAT1 ATOM 4436 H1 TIP3 819 16.135 2.460 2.681 0.00 0.00 WAT1 ATOM 4437 H2 TIP3 819 17.181 1.375 2.536 0.00 0.00 WAT1 ATOM 4438 OH2 TIP3 820 13.057 1.415 6.449 0.00 0.00 WAT1 ATOM 4439 H1 TIP3 820 13.133 0.989 7.303 0.00 0.00 WAT1 ATOM 4440 H2 TIP3 820 13.950 1.429 6.107 0.00 0.00 WAT1 ATOM 4441 OH2 TIP3 821 15.871 5.083 7.225 0.00 0.00 WAT1 ATOM 4442 H1 TIP3 821 16.481 4.711 7.862 0.00 0.00 WAT1 ATOM 4443 H2 TIP3 821 15.034 4.661 7.421 0.00 0.00 WAT1 ATOM 4444 OH2 TIP3 822 16.117 3.901 12.240 0.00 0.00 WAT1 ATOM 4445 H1 TIP3 822 16.299 3.452 13.065 0.00 0.00 WAT1 ATOM 4446 H2 TIP3 822 15.517 3.316 11.776 0.00 0.00 WAT1 ATOM 4447 OH2 TIP3 823 17.983 3.968 8.768 0.00 0.00 WAT1 ATOM 4448 H1 TIP3 823 18.396 3.247 8.292 0.00 0.00 WAT1 ATOM 4449 H2 TIP3 823 18.665 4.638 8.826 0.00 0.00 WAT1 ATOM 4450 OH2 TIP3 824 15.520 1.691 16.360 0.00 0.00 WAT1 ATOM 4451 H1 TIP3 824 16.124 2.239 15.859 0.00 0.00 WAT1 ATOM 4452 H2 TIP3 824 14.651 2.011 16.120 0.00 0.00 WAT1 ATOM 4453 OH2 TIP3 825 17.247 2.830 14.694 0.00 0.00 WAT1 ATOM 4454 H1 TIP3 825 17.859 2.316 14.167 0.00 0.00 WAT1 ATOM 4455 H2 TIP3 825 17.630 3.708 14.717 0.00 0.00 WAT1 ATOM 4456 OH2 TIP3 826 14.194 2.201 11.225 0.00 0.00 WAT1 ATOM 4457 H1 TIP3 826 13.491 2.815 11.015 0.00 0.00 WAT1 ATOM 4458 H2 TIP3 826 13.749 1.363 11.356 0.00 0.00 WAT1 ATOM 4459 OH2 TIP3 827 21.940 -46.324 19.040 0.00 0.00 WAT1 ATOM 4460 H1 TIP3 827 21.982 -46.950 19.764 0.00 0.00 WAT1 ATOM 4461 H2 TIP3 827 22.643 -45.701 19.222 0.00 0.00 WAT1 ATOM 4462 OH2 TIP3 828 20.184 -46.052 15.094 0.00 0.00 WAT1 ATOM 4463 H1 TIP3 828 20.398 -46.822 15.621 0.00 0.00 WAT1 ATOM 4464 H2 TIP3 828 20.922 -45.963 14.491 0.00 0.00 WAT1 ATOM 4465 OH2 TIP3 829 27.961 -43.506 17.853 0.00 0.00 WAT1 ATOM 4466 H1 TIP3 829 28.265 -44.192 17.259 0.00 0.00 WAT1 ATOM 4467 H2 TIP3 829 28.683 -43.388 18.471 0.00 0.00 WAT1 ATOM 4468 OH2 TIP3 830 26.033 -47.064 15.431 0.00 0.00 WAT1 ATOM 4469 H1 TIP3 830 26.649 -47.590 15.940 0.00 0.00 WAT1 ATOM 4470 H2 TIP3 830 25.447 -47.704 15.027 0.00 0.00 WAT1 ATOM 4471 OH2 TIP3 831 25.636 -44.417 19.815 0.00 0.00 WAT1 ATOM 4472 H1 TIP3 831 24.896 -43.819 19.918 0.00 0.00 WAT1 ATOM 4473 H2 TIP3 831 26.350 -43.863 19.499 0.00 0.00 WAT1 ATOM 4474 OH2 TIP3 832 20.165 -42.782 11.384 0.00 0.00 WAT1 ATOM 4475 H1 TIP3 832 19.893 -42.553 10.495 0.00 0.00 WAT1 ATOM 4476 H2 TIP3 832 20.210 -41.944 11.844 0.00 0.00 WAT1 ATOM 4477 OH2 TIP3 833 24.411 -45.110 14.315 0.00 0.00 WAT1 ATOM 4478 H1 TIP3 833 24.081 -45.480 13.496 0.00 0.00 WAT1 ATOM 4479 H2 TIP3 833 24.999 -45.780 14.661 0.00 0.00 WAT1 ATOM 4480 OH2 TIP3 834 24.778 -46.341 17.948 0.00 0.00 WAT1 ATOM 4481 H1 TIP3 834 25.343 -46.220 17.185 0.00 0.00 WAT1 ATOM 4482 H2 TIP3 834 25.097 -45.704 18.587 0.00 0.00 WAT1 ATOM 4483 OH2 TIP3 835 31.087 -40.838 18.682 0.00 0.00 WAT1 ATOM 4484 H1 TIP3 835 30.846 -40.176 19.330 0.00 0.00 WAT1 ATOM 4485 H2 TIP3 835 30.889 -41.672 19.107 0.00 0.00 WAT1 ATOM 4486 OH2 TIP3 836 22.578 -45.744 21.894 0.00 0.00 WAT1 ATOM 4487 H1 TIP3 836 22.648 -45.093 22.592 0.00 0.00 WAT1 ATOM 4488 H2 TIP3 836 21.687 -45.641 21.559 0.00 0.00 WAT1 ATOM 4489 OH2 TIP3 837 19.494 -43.677 20.719 0.00 0.00 WAT1 ATOM 4490 H1 TIP3 837 18.993 -43.705 19.904 0.00 0.00 WAT1 ATOM 4491 H2 TIP3 837 19.500 -44.583 21.029 0.00 0.00 WAT1 ATOM 4492 OH2 TIP3 838 28.421 -40.657 22.161 0.00 0.00 WAT1 ATOM 4493 H1 TIP3 838 28.508 -39.831 22.636 0.00 0.00 WAT1 ATOM 4494 H2 TIP3 838 27.557 -40.987 22.410 0.00 0.00 WAT1 ATOM 4495 OH2 TIP3 839 22.203 -48.598 20.720 0.00 0.00 WAT1 ATOM 4496 H1 TIP3 839 22.165 -48.198 21.588 0.00 0.00 WAT1 ATOM 4497 H2 TIP3 839 21.712 -49.415 20.810 0.00 0.00 WAT1 ATOM 4498 OH2 TIP3 840 22.322 -43.889 24.000 0.00 0.00 WAT1 ATOM 4499 H1 TIP3 840 23.055 -43.635 24.561 0.00 0.00 WAT1 ATOM 4500 H2 TIP3 840 21.542 -43.685 24.515 0.00 0.00 WAT1 ATOM 4501 OH2 TIP3 841 29.042 -43.697 22.074 0.00 0.00 WAT1 ATOM 4502 H1 TIP3 841 28.696 -44.078 22.880 0.00 0.00 WAT1 ATOM 4503 H2 TIP3 841 28.842 -42.763 22.145 0.00 0.00 WAT1 ATOM 4504 OH2 TIP3 842 22.647 -44.586 16.606 0.00 0.00 WAT1 ATOM 4505 H1 TIP3 842 23.392 -44.588 16.005 0.00 0.00 WAT1 ATOM 4506 H2 TIP3 842 22.725 -45.410 17.088 0.00 0.00 WAT1 ATOM 4507 OH2 TIP3 843 19.655 -46.125 21.921 0.00 0.00 WAT1 ATOM 4508 H1 TIP3 843 19.878 -46.543 22.753 0.00 0.00 WAT1 ATOM 4509 H2 TIP3 843 19.053 -46.738 21.499 0.00 0.00 WAT1 ATOM 4510 OH2 TIP3 844 26.672 -46.608 24.134 0.00 0.00 WAT1 ATOM 4511 H1 TIP3 844 26.376 -46.774 23.239 0.00 0.00 WAT1 ATOM 4512 H2 TIP3 844 27.603 -46.828 24.124 0.00 0.00 WAT1 ATOM 4513 OH2 TIP3 845 31.292 -41.235 22.024 0.00 0.00 WAT1 ATOM 4514 H1 TIP3 845 30.391 -41.052 21.756 0.00 0.00 WAT1 ATOM 4515 H2 TIP3 845 31.326 -40.976 22.945 0.00 0.00 WAT1 ATOM 4516 OH2 TIP3 846 25.022 -41.068 14.011 0.00 0.00 WAT1 ATOM 4517 H1 TIP3 846 25.549 -40.295 13.810 0.00 0.00 WAT1 ATOM 4518 H2 TIP3 846 24.142 -40.843 13.709 0.00 0.00 WAT1 ATOM 4519 OH2 TIP3 847 26.449 -43.405 13.587 0.00 0.00 WAT1 ATOM 4520 H1 TIP3 847 26.208 -42.480 13.629 0.00 0.00 WAT1 ATOM 4521 H2 TIP3 847 25.709 -43.864 13.983 0.00 0.00 WAT1 ATOM 4522 OH2 TIP3 848 25.133 -38.383 13.132 0.00 0.00 WAT1 ATOM 4523 H1 TIP3 848 24.183 -38.278 13.184 0.00 0.00 WAT1 ATOM 4524 H2 TIP3 848 25.484 -37.563 13.477 0.00 0.00 WAT1 ATOM 4525 OH2 TIP3 849 30.508 -43.157 19.603 0.00 0.00 WAT1 ATOM 4526 H1 TIP3 849 30.082 -43.384 20.429 0.00 0.00 WAT1 ATOM 4527 H2 TIP3 849 31.089 -43.895 19.420 0.00 0.00 WAT1 ATOM 4528 OH2 TIP3 850 31.325 -40.381 24.616 0.00 0.00 WAT1 ATOM 4529 H1 TIP3 850 30.974 -41.237 24.859 0.00 0.00 WAT1 ATOM 4530 H2 TIP3 850 32.051 -40.238 25.223 0.00 0.00 WAT1 ATOM 4531 OH2 TIP3 851 26.713 -43.900 24.654 0.00 0.00 WAT1 ATOM 4532 H1 TIP3 851 26.385 -43.629 23.796 0.00 0.00 WAT1 ATOM 4533 H2 TIP3 851 26.865 -44.841 24.566 0.00 0.00 WAT1 ATOM 4534 OH2 TIP3 852 20.890 -46.670 24.641 0.00 0.00 WAT1 ATOM 4535 H1 TIP3 852 21.298 -47.527 24.520 0.00 0.00 WAT1 ATOM 4536 H2 TIP3 852 20.630 -46.655 25.562 0.00 0.00 WAT1 ATOM 4537 OH2 TIP3 853 24.837 -47.661 22.015 0.00 0.00 WAT1 ATOM 4538 H1 TIP3 853 24.219 -46.986 22.296 0.00 0.00 WAT1 ATOM 4539 H2 TIP3 853 25.181 -47.340 21.182 0.00 0.00 WAT1 ATOM 4540 OH2 TIP3 854 29.857 -45.190 25.293 0.00 0.00 WAT1 ATOM 4541 H1 TIP3 854 30.810 -45.106 25.265 0.00 0.00 WAT1 ATOM 4542 H2 TIP3 854 29.697 -45.901 25.912 0.00 0.00 WAT1 ATOM 4543 OH2 TIP3 855 27.171 -46.497 20.830 0.00 0.00 WAT1 ATOM 4544 H1 TIP3 855 27.922 -46.653 20.257 0.00 0.00 WAT1 ATOM 4545 H2 TIP3 855 26.832 -45.645 20.554 0.00 0.00 WAT1 ATOM 4546 OH2 TIP3 856 19.684 -45.435 17.739 0.00 0.00 WAT1 ATOM 4547 H1 TIP3 856 19.868 -45.517 16.804 0.00 0.00 WAT1 ATOM 4548 H2 TIP3 856 20.533 -45.559 18.163 0.00 0.00 WAT1 ATOM 4549 OH2 TIP3 857 19.282 -50.164 23.880 0.00 0.00 WAT1 ATOM 4550 H1 TIP3 857 20.201 -50.286 24.116 0.00 0.00 WAT1 ATOM 4551 H2 TIP3 857 18.832 -50.914 24.269 0.00 0.00 WAT1 ATOM 4552 OH2 TIP3 858 28.541 -38.308 23.601 0.00 0.00 WAT1 ATOM 4553 H1 TIP3 858 28.726 -38.642 24.479 0.00 0.00 WAT1 ATOM 4554 H2 TIP3 858 29.388 -37.999 23.279 0.00 0.00 WAT1 ATOM 4555 OH2 TIP3 859 30.886 -37.023 22.845 0.00 0.00 WAT1 ATOM 4556 H1 TIP3 859 31.563 -37.655 22.605 0.00 0.00 WAT1 ATOM 4557 H2 TIP3 859 31.208 -36.621 23.653 0.00 0.00 WAT1 ATOM 4558 OH2 TIP3 860 28.810 -36.963 18.895 0.00 0.00 WAT1 ATOM 4559 H1 TIP3 860 28.353 -36.434 18.241 0.00 0.00 WAT1 ATOM 4560 H2 TIP3 860 28.973 -36.360 19.620 0.00 0.00 WAT1 ATOM 4561 OH2 TIP3 861 31.137 -38.085 19.840 0.00 0.00 WAT1 ATOM 4562 H1 TIP3 861 30.233 -37.920 19.574 0.00 0.00 WAT1 ATOM 4563 H2 TIP3 861 31.566 -37.232 19.774 0.00 0.00 WAT1 ATOM 4564 OH2 TIP3 862 25.725 -38.648 17.103 0.00 0.00 WAT1 ATOM 4565 H1 TIP3 862 25.938 -39.536 16.816 0.00 0.00 WAT1 ATOM 4566 H2 TIP3 862 25.790 -38.682 18.058 0.00 0.00 WAT1 ATOM 4567 OH2 TIP3 863 20.298 -38.604 10.771 0.00 0.00 WAT1 ATOM 4568 H1 TIP3 863 19.613 -38.642 10.103 0.00 0.00 WAT1 ATOM 4569 H2 TIP3 863 20.301 -37.691 11.059 0.00 0.00 WAT1 ATOM 4570 OH2 TIP3 864 21.940 -46.324 37.896 0.00 0.00 WAT1 ATOM 4571 H1 TIP3 864 21.982 -46.950 38.620 0.00 0.00 WAT1 ATOM 4572 H2 TIP3 864 22.643 -45.701 38.078 0.00 0.00 WAT1 ATOM 4573 OH2 TIP3 865 19.474 -48.214 31.824 0.00 0.00 WAT1 ATOM 4574 H1 TIP3 865 19.026 -47.368 31.806 0.00 0.00 WAT1 ATOM 4575 H2 TIP3 865 18.913 -48.794 31.309 0.00 0.00 WAT1 ATOM 4576 OH2 TIP3 866 20.877 -48.614 35.071 0.00 0.00 WAT1 ATOM 4577 H1 TIP3 866 21.531 -49.164 35.503 0.00 0.00 WAT1 ATOM 4578 H2 TIP3 866 20.901 -48.888 34.155 0.00 0.00 WAT1 ATOM 4579 OH2 TIP3 867 26.033 -47.064 34.287 0.00 0.00 WAT1 ATOM 4580 H1 TIP3 867 26.649 -47.590 34.796 0.00 0.00 WAT1 ATOM 4581 H2 TIP3 867 25.447 -47.704 33.883 0.00 0.00 WAT1 ATOM 4582 OH2 TIP3 868 25.636 -44.417 38.671 0.00 0.00 WAT1 ATOM 4583 H1 TIP3 868 24.896 -43.819 38.774 0.00 0.00 WAT1 ATOM 4584 H2 TIP3 868 26.350 -43.863 38.355 0.00 0.00 WAT1 ATOM 4585 OH2 TIP3 869 24.044 -42.453 39.458 0.00 0.00 WAT1 ATOM 4586 H1 TIP3 869 24.038 -41.574 39.080 0.00 0.00 WAT1 ATOM 4587 H2 TIP3 869 23.190 -42.536 39.883 0.00 0.00 WAT1 ATOM 4588 OH2 TIP3 870 24.411 -45.110 33.171 0.00 0.00 WAT1 ATOM 4589 H1 TIP3 870 24.081 -45.480 32.352 0.00 0.00 WAT1 ATOM 4590 H2 TIP3 870 24.999 -45.780 33.517 0.00 0.00 WAT1 ATOM 4591 OH2 TIP3 871 25.778 -41.682 35.852 0.00 0.00 WAT1 ATOM 4592 H1 TIP3 871 25.683 -42.260 35.095 0.00 0.00 WAT1 ATOM 4593 H2 TIP3 871 26.507 -42.053 36.348 0.00 0.00 WAT1 ATOM 4594 OH2 TIP3 872 24.778 -46.341 36.804 0.00 0.00 WAT1 ATOM 4595 H1 TIP3 872 25.343 -46.220 36.041 0.00 0.00 WAT1 ATOM 4596 H2 TIP3 872 25.097 -45.704 37.443 0.00 0.00 WAT1 ATOM 4597 OH2 TIP3 873 25.658 -41.942 41.521 0.00 0.00 WAT1 ATOM 4598 H1 TIP3 873 25.346 -41.160 41.977 0.00 0.00 WAT1 ATOM 4599 H2 TIP3 873 25.008 -42.095 40.835 0.00 0.00 WAT1 ATOM 4600 OH2 TIP3 874 22.578 -45.744 40.750 0.00 0.00 WAT1 ATOM 4601 H1 TIP3 874 22.648 -45.093 41.448 0.00 0.00 WAT1 ATOM 4602 H2 TIP3 874 21.687 -45.641 40.415 0.00 0.00 WAT1 ATOM 4603 OH2 TIP3 875 29.363 -39.841 32.408 0.00 0.00 WAT1 ATOM 4604 H1 TIP3 875 29.837 -39.546 33.186 0.00 0.00 WAT1 ATOM 4605 H2 TIP3 875 28.800 -39.103 32.175 0.00 0.00 WAT1 ATOM 4606 OH2 TIP3 876 23.897 -39.870 42.285 0.00 0.00 WAT1 ATOM 4607 H1 TIP3 876 23.905 -40.006 41.337 0.00 0.00 WAT1 ATOM 4608 H2 TIP3 876 22.981 -39.988 42.537 0.00 0.00 WAT1 ATOM 4609 OH2 TIP3 877 23.401 -46.040 30.760 0.00 0.00 WAT1 ATOM 4610 H1 TIP3 877 23.109 -45.272 30.269 0.00 0.00 WAT1 ATOM 4611 H2 TIP3 877 22.727 -46.700 30.597 0.00 0.00 WAT1 ATOM 4612 OH2 TIP3 878 28.835 -36.885 30.823 0.00 0.00 WAT1 ATOM 4613 H1 TIP3 878 28.760 -37.006 29.877 0.00 0.00 WAT1 ATOM 4614 H2 TIP3 878 28.868 -35.935 30.942 0.00 0.00 WAT1 ATOM 4615 OH2 TIP3 879 24.450 -48.697 32.621 0.00 0.00 WAT1 ATOM 4616 H1 TIP3 879 23.557 -49.038 32.562 0.00 0.00 WAT1 ATOM 4617 H2 TIP3 879 24.901 -49.074 31.865 0.00 0.00 WAT1 ATOM 4618 OH2 TIP3 880 22.203 -48.598 39.576 0.00 0.00 WAT1 ATOM 4619 H1 TIP3 880 22.165 -48.198 40.444 0.00 0.00 WAT1 ATOM 4620 H2 TIP3 880 21.712 -49.415 39.666 0.00 0.00 WAT1 ATOM 4621 OH2 TIP3 881 21.860 -49.641 32.534 0.00 0.00 WAT1 ATOM 4622 H1 TIP3 881 20.971 -49.541 32.194 0.00 0.00 WAT1 ATOM 4623 H2 TIP3 881 22.156 -50.483 32.188 0.00 0.00 WAT1 ATOM 4624 OH2 TIP3 882 24.187 -48.446 27.757 0.00 0.00 WAT1 ATOM 4625 H1 TIP3 882 23.645 -48.826 27.066 0.00 0.00 WAT1 ATOM 4626 H2 TIP3 882 25.021 -48.252 27.328 0.00 0.00 WAT1 ATOM 4627 OH2 TIP3 883 22.322 -43.889 42.856 0.00 0.00 WAT1 ATOM 4628 H1 TIP3 883 23.055 -43.635 43.417 0.00 0.00 WAT1 ATOM 4629 H2 TIP3 883 21.542 -43.685 43.371 0.00 0.00 WAT1 ATOM 4630 OH2 TIP3 884 27.522 -43.881 29.693 0.00 0.00 WAT1 ATOM 4631 H1 TIP3 884 26.778 -44.388 29.370 0.00 0.00 WAT1 ATOM 4632 H2 TIP3 884 27.388 -43.832 30.639 0.00 0.00 WAT1 ATOM 4633 OH2 TIP3 885 29.648 -42.422 28.718 0.00 0.00 WAT1 ATOM 4634 H1 TIP3 885 29.353 -41.596 29.100 0.00 0.00 WAT1 ATOM 4635 H2 TIP3 885 28.945 -43.042 28.914 0.00 0.00 WAT1 ATOM 4636 OH2 TIP3 886 19.655 -46.125 40.777 0.00 0.00 WAT1 ATOM 4637 H1 TIP3 886 19.878 -46.543 41.609 0.00 0.00 WAT1 ATOM 4638 H2 TIP3 886 19.053 -46.738 40.355 0.00 0.00 WAT1 ATOM 4639 OH2 TIP3 887 20.777 -46.206 27.454 0.00 0.00 WAT1 ATOM 4640 H1 TIP3 887 21.393 -45.579 27.833 0.00 0.00 WAT1 ATOM 4641 H2 TIP3 887 19.915 -45.890 27.725 0.00 0.00 WAT1 ATOM 4642 OH2 TIP3 888 26.449 -43.405 32.443 0.00 0.00 WAT1 ATOM 4643 H1 TIP3 888 26.208 -42.480 32.485 0.00 0.00 WAT1 ATOM 4644 H2 TIP3 888 25.709 -43.864 32.839 0.00 0.00 WAT1 ATOM 4645 OH2 TIP3 889 26.964 -39.256 38.758 0.00 0.00 WAT1 ATOM 4646 H1 TIP3 889 27.327 -38.401 38.525 0.00 0.00 WAT1 ATOM 4647 H2 TIP3 889 27.496 -39.548 39.499 0.00 0.00 WAT1 ATOM 4648 OH2 TIP3 890 25.133 -38.383 31.988 0.00 0.00 WAT1 ATOM 4649 H1 TIP3 890 24.183 -38.278 32.040 0.00 0.00 WAT1 ATOM 4650 H2 TIP3 890 25.484 -37.563 32.333 0.00 0.00 WAT1 ATOM 4651 OH2 TIP3 891 22.192 -44.293 28.946 0.00 0.00 WAT1 ATOM 4652 H1 TIP3 891 21.506 -43.941 29.513 0.00 0.00 WAT1 ATOM 4653 H2 TIP3 891 22.715 -43.530 28.700 0.00 0.00 WAT1 ATOM 4654 OH2 TIP3 892 28.477 -39.848 29.185 0.00 0.00 WAT1 ATOM 4655 H1 TIP3 892 27.660 -39.351 29.238 0.00 0.00 WAT1 ATOM 4656 H2 TIP3 892 29.006 -39.373 28.545 0.00 0.00 WAT1 ATOM 4657 OH2 TIP3 893 21.124 -49.015 26.959 0.00 0.00 WAT1 ATOM 4658 H1 TIP3 893 21.079 -48.076 27.138 0.00 0.00 WAT1 ATOM 4659 H2 TIP3 893 20.236 -49.251 26.689 0.00 0.00 WAT1 ATOM 4660 OH2 TIP3 894 24.748 -38.761 44.743 0.00 0.00 WAT1 ATOM 4661 H1 TIP3 894 25.516 -39.220 45.084 0.00 0.00 WAT1 ATOM 4662 H2 TIP3 894 24.727 -38.987 43.813 0.00 0.00 WAT1 ATOM 4663 OH2 TIP3 895 28.840 -39.253 26.118 0.00 0.00 WAT1 ATOM 4664 H1 TIP3 895 28.196 -39.884 26.440 0.00 0.00 WAT1 ATOM 4665 H2 TIP3 895 29.602 -39.784 25.886 0.00 0.00 WAT1 ATOM 4666 OH2 TIP3 896 20.058 -43.870 44.077 0.00 0.00 WAT1 ATOM 4667 H1 TIP3 896 20.202 -44.772 43.791 0.00 0.00 WAT1 ATOM 4668 H2 TIP3 896 19.285 -43.584 43.589 0.00 0.00 WAT1 ATOM 4669 OH2 TIP3 897 29.751 -42.479 25.945 0.00 0.00 WAT1 ATOM 4670 H1 TIP3 897 29.483 -42.299 26.846 0.00 0.00 WAT1 ATOM 4671 H2 TIP3 897 29.545 -43.405 25.814 0.00 0.00 WAT1 ATOM 4672 OH2 TIP3 898 20.890 -46.670 43.497 0.00 0.00 WAT1 ATOM 4673 H1 TIP3 898 21.298 -47.527 43.376 0.00 0.00 WAT1 ATOM 4674 H2 TIP3 898 20.630 -46.655 44.418 0.00 0.00 WAT1 ATOM 4675 OH2 TIP3 899 25.548 -45.554 28.515 0.00 0.00 WAT1 ATOM 4676 H1 TIP3 899 25.089 -46.038 29.201 0.00 0.00 WAT1 ATOM 4677 H2 TIP3 899 25.803 -46.222 27.879 0.00 0.00 WAT1 ATOM 4678 OH2 TIP3 900 26.619 -47.311 26.778 0.00 0.00 WAT1 ATOM 4679 H1 TIP3 900 26.439 -47.465 25.850 0.00 0.00 WAT1 ATOM 4680 H2 TIP3 900 27.570 -47.203 26.822 0.00 0.00 WAT1 ATOM 4681 OH2 TIP3 901 26.517 -36.620 27.779 0.00 0.00 WAT1 ATOM 4682 H1 TIP3 901 27.450 -36.462 27.923 0.00 0.00 WAT1 ATOM 4683 H2 TIP3 901 26.253 -35.945 27.154 0.00 0.00 WAT1 ATOM 4684 OH2 TIP3 902 18.807 -48.853 36.696 0.00 0.00 WAT1 ATOM 4685 H1 TIP3 902 19.299 -49.074 35.906 0.00 0.00 WAT1 ATOM 4686 H2 TIP3 902 19.169 -48.012 36.977 0.00 0.00 WAT1 ATOM 4687 OH2 TIP3 903 24.230 -39.707 39.498 0.00 0.00 WAT1 ATOM 4688 H1 TIP3 903 23.805 -38.898 39.215 0.00 0.00 WAT1 ATOM 4689 H2 TIP3 903 25.135 -39.622 39.196 0.00 0.00 WAT1 ATOM 4690 OH2 TIP3 904 24.099 -36.851 38.575 0.00 0.00 WAT1 ATOM 4691 H1 TIP3 904 23.234 -36.779 38.979 0.00 0.00 WAT1 ATOM 4692 H2 TIP3 904 24.044 -36.304 37.791 0.00 0.00 WAT1 ATOM 4693 OH2 TIP3 905 25.725 -38.648 35.959 0.00 0.00 WAT1 ATOM 4694 H1 TIP3 905 25.938 -39.536 35.672 0.00 0.00 WAT1 ATOM 4695 H2 TIP3 905 25.790 -38.682 36.914 0.00 0.00 WAT1 ATOM 4696 OH2 TIP3 906 29.162 -37.394 28.024 0.00 0.00 WAT1 ATOM 4697 H1 TIP3 906 30.028 -37.028 27.846 0.00 0.00 WAT1 ATOM 4698 H2 TIP3 906 28.915 -37.834 27.211 0.00 0.00 WAT1 ATOM 4699 OH2 TIP3 907 20.165 -42.782 49.096 0.00 0.00 WAT1 ATOM 4700 H1 TIP3 907 19.893 -42.553 48.207 0.00 0.00 WAT1 ATOM 4701 H2 TIP3 907 20.210 -41.944 49.556 0.00 0.00 WAT1 ATOM 4702 OH2 TIP3 908 22.489 -38.096 51.460 0.00 0.00 WAT1 ATOM 4703 H1 TIP3 908 22.641 -38.444 52.339 0.00 0.00 WAT1 ATOM 4704 H2 TIP3 908 21.638 -38.452 51.205 0.00 0.00 WAT1 ATOM 4705 OH2 TIP3 909 20.777 -46.206 46.310 0.00 0.00 WAT1 ATOM 4706 H1 TIP3 909 21.393 -45.579 46.689 0.00 0.00 WAT1 ATOM 4707 H2 TIP3 909 19.915 -45.890 46.581 0.00 0.00 WAT1 ATOM 4708 OH2 TIP3 910 25.133 -38.383 50.844 0.00 0.00 WAT1 ATOM 4709 H1 TIP3 910 24.183 -38.278 50.896 0.00 0.00 WAT1 ATOM 4710 H2 TIP3 910 25.484 -37.563 51.189 0.00 0.00 WAT1 ATOM 4711 OH2 TIP3 911 25.739 -41.546 47.292 0.00 0.00 WAT1 ATOM 4712 H1 TIP3 911 25.886 -42.066 48.082 0.00 0.00 WAT1 ATOM 4713 H2 TIP3 911 25.736 -40.639 47.598 0.00 0.00 WAT1 ATOM 4714 OH2 TIP3 912 25.815 -38.805 48.023 0.00 0.00 WAT1 ATOM 4715 H1 TIP3 912 25.976 -38.005 47.522 0.00 0.00 WAT1 ATOM 4716 H2 TIP3 912 25.618 -38.498 48.908 0.00 0.00 WAT1 ATOM 4717 OH2 TIP3 913 22.808 -41.679 46.699 0.00 0.00 WAT1 ATOM 4718 H1 TIP3 913 23.400 -40.980 46.975 0.00 0.00 WAT1 ATOM 4719 H2 TIP3 913 23.267 -42.112 45.980 0.00 0.00 WAT1 ATOM 4720 OH2 TIP3 914 20.862 -40.293 50.649 0.00 0.00 WAT1 ATOM 4721 H1 TIP3 914 20.030 -39.820 50.676 0.00 0.00 WAT1 ATOM 4722 H2 TIP3 914 21.408 -39.783 50.050 0.00 0.00 WAT1 ATOM 4723 OH2 TIP3 915 24.399 -43.526 45.065 0.00 0.00 WAT1 ATOM 4724 H1 TIP3 915 24.463 -44.320 45.596 0.00 0.00 WAT1 ATOM 4725 H2 TIP3 915 25.052 -43.645 44.376 0.00 0.00 WAT1 ATOM 4726 OH2 TIP3 916 26.517 -36.620 46.635 0.00 0.00 WAT1 ATOM 4727 H1 TIP3 916 27.450 -36.462 46.779 0.00 0.00 WAT1 ATOM 4728 H2 TIP3 916 26.253 -35.945 46.010 0.00 0.00 WAT1 ATOM 4729 OH2 TIP3 917 20.085 -41.984 46.118 0.00 0.00 WAT1 ATOM 4730 H1 TIP3 917 20.999 -41.905 46.391 0.00 0.00 WAT1 ATOM 4731 H2 TIP3 917 20.092 -42.671 45.451 0.00 0.00 WAT1 ATOM 4732 OH2 TIP3 918 19.604 -38.510 53.000 0.00 0.00 WAT1 ATOM 4733 H1 TIP3 918 19.270 -39.391 53.172 0.00 0.00 WAT1 ATOM 4734 H2 TIP3 918 19.826 -38.165 53.864 0.00 0.00 WAT1 ATOM 4735 OH2 TIP3 919 21.047 -37.828 55.312 0.00 0.00 WAT1 ATOM 4736 H1 TIP3 919 21.028 -38.253 56.169 0.00 0.00 WAT1 ATOM 4737 H2 TIP3 919 21.852 -38.146 54.903 0.00 0.00 WAT1 ATOM 4738 OH2 TIP3 920 23.188 -39.118 53.967 0.00 0.00 WAT1 ATOM 4739 H1 TIP3 920 22.969 -40.034 54.136 0.00 0.00 WAT1 ATOM 4740 H2 TIP3 920 24.012 -38.978 54.433 0.00 0.00 WAT1 ATOM 4741 OH2 TIP3 921 24.044 -23.597 1.746 0.00 0.00 WAT1 ATOM 4742 H1 TIP3 921 24.038 -22.718 1.368 0.00 0.00 WAT1 ATOM 4743 H2 TIP3 921 23.190 -23.680 2.171 0.00 0.00 WAT1 ATOM 4744 OH2 TIP3 922 25.658 -23.086 3.809 0.00 0.00 WAT1 ATOM 4745 H1 TIP3 922 25.346 -22.304 4.265 0.00 0.00 WAT1 ATOM 4746 H2 TIP3 922 25.008 -23.239 3.123 0.00 0.00 WAT1 ATOM 4747 OH2 TIP3 923 22.578 -26.888 3.038 0.00 0.00 WAT1 ATOM 4748 H1 TIP3 923 22.648 -26.237 3.736 0.00 0.00 WAT1 ATOM 4749 H2 TIP3 923 21.687 -26.785 2.703 0.00 0.00 WAT1 ATOM 4750 OH2 TIP3 924 23.897 -21.014 4.573 0.00 0.00 WAT1 ATOM 4751 H1 TIP3 924 23.905 -21.150 3.625 0.00 0.00 WAT1 ATOM 4752 H2 TIP3 924 22.981 -21.132 4.825 0.00 0.00 WAT1 ATOM 4753 OH2 TIP3 925 19.494 -24.821 1.863 0.00 0.00 WAT1 ATOM 4754 H1 TIP3 925 18.993 -24.849 1.048 0.00 0.00 WAT1 ATOM 4755 H2 TIP3 925 19.500 -25.727 2.173 0.00 0.00 WAT1 ATOM 4756 OH2 TIP3 926 19.245 -22.041 -1.253 0.00 0.00 WAT1 ATOM 4757 H1 TIP3 926 20.191 -22.185 -1.272 0.00 0.00 WAT1 ATOM 4758 H2 TIP3 926 19.132 -21.257 -0.716 0.00 0.00 WAT1 ATOM 4759 OH2 TIP3 927 21.743 -23.498 2.906 0.00 0.00 WAT1 ATOM 4760 H1 TIP3 927 21.960 -23.859 3.766 0.00 0.00 WAT1 ATOM 4761 H2 TIP3 927 20.888 -23.872 2.696 0.00 0.00 WAT1 ATOM 4762 OH2 TIP3 928 19.655 -27.269 3.065 0.00 0.00 WAT1 ATOM 4763 H1 TIP3 928 19.878 -27.687 3.897 0.00 0.00 WAT1 ATOM 4764 H2 TIP3 928 19.053 -27.882 2.643 0.00 0.00 WAT1 ATOM 4765 OH2 TIP3 929 20.940 -20.711 1.058 0.00 0.00 WAT1 ATOM 4766 H1 TIP3 929 21.157 -21.643 1.027 0.00 0.00 WAT1 ATOM 4767 H2 TIP3 929 21.187 -20.437 1.942 0.00 0.00 WAT1 ATOM 4768 OH2 TIP3 930 24.748 -19.905 7.031 0.00 0.00 WAT1 ATOM 4769 H1 TIP3 930 25.516 -20.364 7.372 0.00 0.00 WAT1 ATOM 4770 H2 TIP3 930 24.727 -20.131 6.101 0.00 0.00 WAT1 ATOM 4771 OH2 TIP3 931 26.713 -25.044 5.798 0.00 0.00 WAT1 ATOM 4772 H1 TIP3 931 26.385 -24.773 4.940 0.00 0.00 WAT1 ATOM 4773 H2 TIP3 931 26.865 -25.985 5.710 0.00 0.00 WAT1 ATOM 4774 OH2 TIP3 932 20.890 -27.814 5.785 0.00 0.00 WAT1 ATOM 4775 H1 TIP3 932 21.298 -28.671 5.664 0.00 0.00 WAT1 ATOM 4776 H2 TIP3 932 20.630 -27.799 6.706 0.00 0.00 WAT1 ATOM 4777 OH2 TIP3 933 24.230 -20.851 1.786 0.00 0.00 WAT1 ATOM 4778 H1 TIP3 933 23.805 -20.042 1.503 0.00 0.00 WAT1 ATOM 4779 H2 TIP3 933 25.135 -20.766 1.484 0.00 0.00 WAT1 ATOM 4780 OH2 TIP3 934 21.632 -17.595 1.833 0.00 0.00 WAT1 ATOM 4781 H1 TIP3 934 20.912 -17.155 1.382 0.00 0.00 WAT1 ATOM 4782 H2 TIP3 934 21.266 -17.846 2.682 0.00 0.00 WAT1 ATOM 4783 OH2 TIP3 935 29.572 -27.083 17.447 0.00 0.00 WAT1 ATOM 4784 H1 TIP3 935 29.534 -27.729 18.152 0.00 0.00 WAT1 ATOM 4785 H2 TIP3 935 29.249 -27.549 16.676 0.00 0.00 WAT1 ATOM 4786 OH2 TIP3 936 30.389 -19.039 15.961 0.00 0.00 WAT1 ATOM 4787 H1 TIP3 936 31.009 -19.716 15.688 0.00 0.00 WAT1 ATOM 4788 H2 TIP3 936 30.181 -19.257 16.869 0.00 0.00 WAT1 ATOM 4789 OH2 TIP3 937 27.961 -24.650 17.853 0.00 0.00 WAT1 ATOM 4790 H1 TIP3 937 28.265 -25.336 17.259 0.00 0.00 WAT1 ATOM 4791 H2 TIP3 937 28.683 -24.532 18.471 0.00 0.00 WAT1 ATOM 4792 OH2 TIP3 938 24.257 -32.155 15.453 0.00 0.00 WAT1 ATOM 4793 H1 TIP3 938 24.300 -31.295 15.035 0.00 0.00 WAT1 ATOM 4794 H2 TIP3 938 23.799 -32.707 14.820 0.00 0.00 WAT1 ATOM 4795 OH2 TIP3 939 26.033 -28.208 15.431 0.00 0.00 WAT1 ATOM 4796 H1 TIP3 939 26.649 -28.734 15.940 0.00 0.00 WAT1 ATOM 4797 H2 TIP3 939 25.447 -28.848 15.027 0.00 0.00 WAT1 ATOM 4798 OH2 TIP3 940 22.661 -31.345 17.480 0.00 0.00 WAT1 ATOM 4799 H1 TIP3 940 23.274 -30.712 17.853 0.00 0.00 WAT1 ATOM 4800 H2 TIP3 940 23.173 -31.817 16.823 0.00 0.00 WAT1 ATOM 4801 OH2 TIP3 941 20.165 -23.926 11.384 0.00 0.00 WAT1 ATOM 4802 H1 TIP3 941 19.893 -23.697 10.495 0.00 0.00 WAT1 ATOM 4803 H2 TIP3 941 20.210 -23.088 11.844 0.00 0.00 WAT1 ATOM 4804 OH2 TIP3 942 27.093 -35.931 16.980 0.00 0.00 WAT1 ATOM 4805 H1 TIP3 942 26.976 -36.880 16.926 0.00 0.00 WAT1 ATOM 4806 H2 TIP3 942 26.238 -35.599 17.253 0.00 0.00 WAT1 ATOM 4807 OH2 TIP3 943 32.042 -20.523 14.722 0.00 0.00 WAT1 ATOM 4808 H1 TIP3 943 32.467 -21.230 14.237 0.00 0.00 WAT1 ATOM 4809 H2 TIP3 943 32.359 -19.722 14.305 0.00 0.00 WAT1 ATOM 4810 OH2 TIP3 944 24.778 -27.485 17.948 0.00 0.00 WAT1 ATOM 4811 H1 TIP3 944 25.343 -27.364 17.185 0.00 0.00 WAT1 ATOM 4812 H2 TIP3 944 25.097 -26.848 18.587 0.00 0.00 WAT1 ATOM 4813 OH2 TIP3 945 31.087 -21.982 18.682 0.00 0.00 WAT1 ATOM 4814 H1 TIP3 945 30.846 -21.320 19.330 0.00 0.00 WAT1 ATOM 4815 H2 TIP3 945 30.889 -22.816 19.107 0.00 0.00 WAT1 ATOM 4816 OH2 TIP3 946 29.363 -20.985 13.552 0.00 0.00 WAT1 ATOM 4817 H1 TIP3 946 29.837 -20.690 14.330 0.00 0.00 WAT1 ATOM 4818 H2 TIP3 946 28.800 -20.247 13.319 0.00 0.00 WAT1 ATOM 4819 OH2 TIP3 947 28.835 -18.029 11.967 0.00 0.00 WAT1 ATOM 4820 H1 TIP3 947 28.760 -18.150 11.021 0.00 0.00 WAT1 ATOM 4821 H2 TIP3 947 28.868 -17.079 12.086 0.00 0.00 WAT1 ATOM 4822 OH2 TIP3 948 29.025 -35.306 21.132 0.00 0.00 WAT1 ATOM 4823 H1 TIP3 948 29.445 -35.721 21.885 0.00 0.00 WAT1 ATOM 4824 H2 TIP3 948 28.092 -35.484 21.249 0.00 0.00 WAT1 ATOM 4825 OH2 TIP3 949 24.453 -30.062 18.853 0.00 0.00 WAT1 ATOM 4826 H1 TIP3 949 23.811 -30.103 19.562 0.00 0.00 WAT1 ATOM 4827 H2 TIP3 949 24.490 -29.136 18.615 0.00 0.00 WAT1 ATOM 4828 OH2 TIP3 950 24.450 -29.841 13.765 0.00 0.00 WAT1 ATOM 4829 H1 TIP3 950 23.557 -30.182 13.706 0.00 0.00 WAT1 ATOM 4830 H2 TIP3 950 24.901 -30.218 13.009 0.00 0.00 WAT1 ATOM 4831 OH2 TIP3 951 29.088 -29.250 24.070 0.00 0.00 WAT1 ATOM 4832 H1 TIP3 951 28.525 -29.954 24.390 0.00 0.00 WAT1 ATOM 4833 H2 TIP3 951 29.914 -29.370 24.537 0.00 0.00 WAT1 ATOM 4834 OH2 TIP3 952 20.086 -31.880 9.994 0.00 0.00 WAT1 ATOM 4835 H1 TIP3 952 20.560 -31.289 9.409 0.00 0.00 WAT1 ATOM 4836 H2 TIP3 952 19.368 -31.349 10.341 0.00 0.00 WAT1 ATOM 4837 OH2 TIP3 953 30.254 -28.341 20.067 0.00 0.00 WAT1 ATOM 4838 H1 TIP3 953 30.578 -28.972 19.424 0.00 0.00 WAT1 ATOM 4839 H2 TIP3 953 29.814 -28.876 20.728 0.00 0.00 WAT1 ATOM 4840 OH2 TIP3 954 27.032 -32.414 14.851 0.00 0.00 WAT1 ATOM 4841 H1 TIP3 954 26.121 -32.357 15.140 0.00 0.00 WAT1 ATOM 4842 H2 TIP3 954 27.537 -32.474 15.662 0.00 0.00 WAT1 ATOM 4843 OH2 TIP3 955 25.513 -30.785 11.334 0.00 0.00 WAT1 ATOM 4844 H1 TIP3 955 26.445 -30.656 11.512 0.00 0.00 WAT1 ATOM 4845 H2 TIP3 955 25.298 -30.115 10.685 0.00 0.00 WAT1 ATOM 4846 OH2 TIP3 956 24.187 -29.590 8.901 0.00 0.00 WAT1 ATOM 4847 H1 TIP3 956 23.645 -29.970 8.210 0.00 0.00 WAT1 ATOM 4848 H2 TIP3 956 25.021 -29.396 8.472 0.00 0.00 WAT1 ATOM 4849 OH2 TIP3 957 28.352 -29.626 16.738 0.00 0.00 WAT1 ATOM 4850 H1 TIP3 957 28.916 -30.173 16.191 0.00 0.00 WAT1 ATOM 4851 H2 TIP3 957 28.204 -30.148 17.527 0.00 0.00 WAT1 ATOM 4852 OH2 TIP3 958 23.354 -33.490 13.156 0.00 0.00 WAT1 ATOM 4853 H1 TIP3 958 23.037 -34.392 13.121 0.00 0.00 WAT1 ATOM 4854 H2 TIP3 958 24.135 -33.488 12.604 0.00 0.00 WAT1 ATOM 4855 OH2 TIP3 959 26.978 -31.238 19.152 0.00 0.00 WAT1 ATOM 4856 H1 TIP3 959 26.143 -30.784 19.262 0.00 0.00 WAT1 ATOM 4857 H2 TIP3 959 27.502 -30.962 19.904 0.00 0.00 WAT1 ATOM 4858 OH2 TIP3 960 27.522 -25.025 10.837 0.00 0.00 WAT1 ATOM 4859 H1 TIP3 960 26.778 -25.532 10.514 0.00 0.00 WAT1 ATOM 4860 H2 TIP3 960 27.388 -24.976 11.783 0.00 0.00 WAT1 ATOM 4861 OH2 TIP3 961 29.042 -24.841 22.074 0.00 0.00 WAT1 ATOM 4862 H1 TIP3 961 28.696 -25.222 22.880 0.00 0.00 WAT1 ATOM 4863 H2 TIP3 961 28.842 -23.907 22.145 0.00 0.00 WAT1 ATOM 4864 OH2 TIP3 962 26.672 -27.752 24.134 0.00 0.00 WAT1 ATOM 4865 H1 TIP3 962 26.376 -27.918 23.239 0.00 0.00 WAT1 ATOM 4866 H2 TIP3 962 27.603 -27.972 24.124 0.00 0.00 WAT1 ATOM 4867 OH2 TIP3 963 31.292 -22.379 22.024 0.00 0.00 WAT1 ATOM 4868 H1 TIP3 963 30.391 -22.196 21.756 0.00 0.00 WAT1 ATOM 4869 H2 TIP3 963 31.326 -22.120 22.945 0.00 0.00 WAT1 ATOM 4870 OH2 TIP3 964 20.777 -27.350 8.598 0.00 0.00 WAT1 ATOM 4871 H1 TIP3 964 21.393 -26.723 8.977 0.00 0.00 WAT1 ATOM 4872 H2 TIP3 964 19.915 -27.034 8.869 0.00 0.00 WAT1 ATOM 4873 OH2 TIP3 965 26.449 -24.549 13.587 0.00 0.00 WAT1 ATOM 4874 H1 TIP3 965 26.208 -23.624 13.629 0.00 0.00 WAT1 ATOM 4875 H2 TIP3 965 25.709 -25.008 13.983 0.00 0.00 WAT1 ATOM 4876 OH2 TIP3 966 30.508 -24.301 19.603 0.00 0.00 WAT1 ATOM 4877 H1 TIP3 966 30.082 -24.528 20.429 0.00 0.00 WAT1 ATOM 4878 H2 TIP3 966 31.089 -25.039 19.420 0.00 0.00 WAT1 ATOM 4879 OH2 TIP3 967 33.167 -19.749 22.072 0.00 0.00 WAT1 ATOM 4880 H1 TIP3 967 32.565 -20.304 21.577 0.00 0.00 WAT1 ATOM 4881 H2 TIP3 967 33.448 -19.082 21.446 0.00 0.00 WAT1 ATOM 4882 OH2 TIP3 968 26.802 -22.260 7.124 0.00 0.00 WAT1 ATOM 4883 H1 TIP3 968 27.041 -23.008 6.576 0.00 0.00 WAT1 ATOM 4884 H2 TIP3 968 26.533 -22.648 7.956 0.00 0.00 WAT1 ATOM 4885 OH2 TIP3 969 25.739 -22.690 9.580 0.00 0.00 WAT1 ATOM 4886 H1 TIP3 969 25.886 -23.210 10.370 0.00 0.00 WAT1 ATOM 4887 H2 TIP3 969 25.736 -21.783 9.886 0.00 0.00 WAT1 ATOM 4888 OH2 TIP3 970 22.192 -25.437 10.090 0.00 0.00 WAT1 ATOM 4889 H1 TIP3 970 21.506 -25.085 10.657 0.00 0.00 WAT1 ATOM 4890 H2 TIP3 970 22.715 -24.674 9.844 0.00 0.00 WAT1 ATOM 4891 OH2 TIP3 971 30.024 -32.775 20.369 0.00 0.00 WAT1 ATOM 4892 H1 TIP3 971 30.722 -32.701 21.019 0.00 0.00 WAT1 ATOM 4893 H2 TIP3 971 29.643 -33.639 20.524 0.00 0.00 WAT1 ATOM 4894 OH2 TIP3 972 28.544 -30.409 21.486 0.00 0.00 WAT1 ATOM 4895 H1 TIP3 972 28.663 -29.835 22.243 0.00 0.00 WAT1 ATOM 4896 H2 TIP3 972 29.199 -31.097 21.601 0.00 0.00 WAT1 ATOM 4897 OH2 TIP3 973 25.815 -19.949 10.311 0.00 0.00 WAT1 ATOM 4898 H1 TIP3 973 25.976 -19.149 9.810 0.00 0.00 WAT1 ATOM 4899 H2 TIP3 973 25.618 -19.642 11.196 0.00 0.00 WAT1 ATOM 4900 OH2 TIP3 974 21.124 -30.159 8.103 0.00 0.00 WAT1 ATOM 4901 H1 TIP3 974 21.079 -29.220 8.282 0.00 0.00 WAT1 ATOM 4902 H2 TIP3 974 20.236 -30.395 7.833 0.00 0.00 WAT1 ATOM 4903 OH2 TIP3 975 24.748 -19.905 25.887 0.00 0.00 WAT1 ATOM 4904 H1 TIP3 975 25.516 -20.364 26.228 0.00 0.00 WAT1 ATOM 4905 H2 TIP3 975 24.727 -20.131 24.957 0.00 0.00 WAT1 ATOM 4906 OH2 TIP3 976 31.325 -21.525 24.616 0.00 0.00 WAT1 ATOM 4907 H1 TIP3 976 30.974 -22.381 24.859 0.00 0.00 WAT1 ATOM 4908 H2 TIP3 976 32.051 -21.382 25.223 0.00 0.00 WAT1 ATOM 4909 OH2 TIP3 977 24.399 -24.670 7.353 0.00 0.00 WAT1 ATOM 4910 H1 TIP3 977 24.463 -25.464 7.884 0.00 0.00 WAT1 ATOM 4911 H2 TIP3 977 25.052 -24.789 6.664 0.00 0.00 WAT1 ATOM 4912 OH2 TIP3 978 26.713 -25.044 24.654 0.00 0.00 WAT1 ATOM 4913 H1 TIP3 978 26.385 -24.773 23.796 0.00 0.00 WAT1 ATOM 4914 H2 TIP3 978 26.865 -25.985 24.566 0.00 0.00 WAT1 ATOM 4915 OH2 TIP3 979 25.548 -26.698 9.659 0.00 0.00 WAT1 ATOM 4916 H1 TIP3 979 25.089 -27.182 10.345 0.00 0.00 WAT1 ATOM 4917 H2 TIP3 979 25.803 -27.366 9.023 0.00 0.00 WAT1 ATOM 4918 OH2 TIP3 980 29.857 -26.334 25.293 0.00 0.00 WAT1 ATOM 4919 H1 TIP3 980 30.810 -26.250 25.265 0.00 0.00 WAT1 ATOM 4920 H2 TIP3 980 29.697 -27.045 25.912 0.00 0.00 WAT1 ATOM 4921 OH2 TIP3 981 27.171 -27.641 20.830 0.00 0.00 WAT1 ATOM 4922 H1 TIP3 981 27.922 -27.797 20.257 0.00 0.00 WAT1 ATOM 4923 H2 TIP3 981 26.832 -26.789 20.554 0.00 0.00 WAT1 ATOM 4924 OH2 TIP3 982 27.659 -31.302 24.585 0.00 0.00 WAT1 ATOM 4925 H1 TIP3 982 27.423 -31.522 25.487 0.00 0.00 WAT1 ATOM 4926 H2 TIP3 982 26.876 -31.509 24.076 0.00 0.00 WAT1 ATOM 4927 OH2 TIP3 983 26.970 -34.647 25.747 0.00 0.00 WAT1 ATOM 4928 H1 TIP3 983 26.839 -35.123 24.926 0.00 0.00 WAT1 ATOM 4929 H2 TIP3 983 26.371 -33.903 25.691 0.00 0.00 WAT1 ATOM 4930 OH2 TIP3 984 28.541 -19.452 23.601 0.00 0.00 WAT1 ATOM 4931 H1 TIP3 984 28.726 -19.786 24.479 0.00 0.00 WAT1 ATOM 4932 H2 TIP3 984 29.388 -19.143 23.279 0.00 0.00 WAT1 ATOM 4933 OH2 TIP3 985 30.886 -18.167 22.845 0.00 0.00 WAT1 ATOM 4934 H1 TIP3 985 31.563 -18.799 22.605 0.00 0.00 WAT1 ATOM 4935 H2 TIP3 985 31.208 -17.765 23.653 0.00 0.00 WAT1 ATOM 4936 OH2 TIP3 986 31.137 -19.229 19.840 0.00 0.00 WAT1 ATOM 4937 H1 TIP3 986 30.233 -19.064 19.574 0.00 0.00 WAT1 ATOM 4938 H2 TIP3 986 31.566 -18.376 19.774 0.00 0.00 WAT1 ATOM 4939 OH2 TIP3 987 20.397 -35.696 9.873 0.00 0.00 WAT1 ATOM 4940 H1 TIP3 987 20.836 -35.085 9.282 0.00 0.00 WAT1 ATOM 4941 H2 TIP3 987 19.763 -35.158 10.347 0.00 0.00 WAT1 ATOM 4942 OH2 TIP3 988 26.140 -35.567 13.883 0.00 0.00 WAT1 ATOM 4943 H1 TIP3 988 27.014 -35.179 13.853 0.00 0.00 WAT1 ATOM 4944 H2 TIP3 988 26.004 -35.782 14.806 0.00 0.00 WAT1 ATOM 4945 OH2 TIP3 989 22.116 -18.828 7.796 0.00 0.00 WAT1 ATOM 4946 H1 TIP3 989 21.848 -18.541 8.669 0.00 0.00 WAT1 ATOM 4947 H2 TIP3 989 22.887 -19.374 7.948 0.00 0.00 WAT1 ATOM 4948 OH2 TIP3 990 21.940 -27.468 37.896 0.00 0.00 WAT1 ATOM 4949 H1 TIP3 990 21.982 -28.094 38.620 0.00 0.00 WAT1 ATOM 4950 H2 TIP3 990 22.643 -26.845 38.078 0.00 0.00 WAT1 ATOM 4951 OH2 TIP3 991 22.864 -23.018 36.431 0.00 0.00 WAT1 ATOM 4952 H1 TIP3 991 22.494 -23.820 36.062 0.00 0.00 WAT1 ATOM 4953 H2 TIP3 991 23.805 -23.187 36.478 0.00 0.00 WAT1 ATOM 4954 OH2 TIP3 992 26.033 -28.208 34.287 0.00 0.00 WAT1 ATOM 4955 H1 TIP3 992 26.649 -28.734 34.796 0.00 0.00 WAT1 ATOM 4956 H2 TIP3 992 25.447 -28.848 33.883 0.00 0.00 WAT1 ATOM 4957 OH2 TIP3 993 23.067 -33.237 38.383 0.00 0.00 WAT1 ATOM 4958 H1 TIP3 993 22.848 -32.707 37.617 0.00 0.00 WAT1 ATOM 4959 H2 TIP3 993 22.399 -33.010 39.031 0.00 0.00 WAT1 ATOM 4960 OH2 TIP3 994 20.165 -23.926 30.240 0.00 0.00 WAT1 ATOM 4961 H1 TIP3 994 19.893 -23.697 29.351 0.00 0.00 WAT1 ATOM 4962 H2 TIP3 994 20.210 -23.088 30.700 0.00 0.00 WAT1 ATOM 4963 OH2 TIP3 995 27.093 -35.931 35.836 0.00 0.00 WAT1 ATOM 4964 H1 TIP3 995 26.976 -36.880 35.782 0.00 0.00 WAT1 ATOM 4965 H2 TIP3 995 26.238 -35.599 36.109 0.00 0.00 WAT1 ATOM 4966 OH2 TIP3 996 24.411 -26.254 33.171 0.00 0.00 WAT1 ATOM 4967 H1 TIP3 996 24.081 -26.624 32.352 0.00 0.00 WAT1 ATOM 4968 H2 TIP3 996 24.999 -26.924 33.517 0.00 0.00 WAT1 ATOM 4969 OH2 TIP3 997 25.778 -22.826 35.852 0.00 0.00 WAT1 ATOM 4970 H1 TIP3 997 25.683 -23.404 35.095 0.00 0.00 WAT1 ATOM 4971 H2 TIP3 997 26.507 -23.197 36.348 0.00 0.00 WAT1 ATOM 4972 OH2 TIP3 998 24.778 -27.485 36.804 0.00 0.00 WAT1 ATOM 4973 H1 TIP3 998 25.343 -27.364 36.041 0.00 0.00 WAT1 ATOM 4974 H2 TIP3 998 25.097 -26.848 37.443 0.00 0.00 WAT1 ATOM 4975 OH2 TIP3 999 19.494 -24.821 39.575 0.00 0.00 WAT1 ATOM 4976 H1 TIP3 999 18.993 -24.849 38.760 0.00 0.00 WAT1 ATOM 4977 H2 TIP3 999 19.500 -25.727 39.885 0.00 0.00 WAT1 ATOM 4978 OH2 TIP3 1000 19.245 -22.041 36.459 0.00 0.00 WAT1 ATOM 4979 H1 TIP3 1000 20.191 -22.185 36.440 0.00 0.00 WAT1 ATOM 4980 H2 TIP3 1000 19.132 -21.257 36.996 0.00 0.00 WAT1 ATOM 4981 OH2 TIP3 1001 28.835 -18.029 30.823 0.00 0.00 WAT1 ATOM 4982 H1 TIP3 1001 28.760 -18.150 29.877 0.00 0.00 WAT1 ATOM 4983 H2 TIP3 1001 28.868 -17.079 30.942 0.00 0.00 WAT1 ATOM 4984 OH2 TIP3 1002 24.362 -35.028 36.614 0.00 0.00 WAT1 ATOM 4985 H1 TIP3 1002 23.501 -35.115 36.206 0.00 0.00 WAT1 ATOM 4986 H2 TIP3 1002 24.340 -34.172 37.041 0.00 0.00 WAT1 ATOM 4987 OH2 TIP3 1003 28.687 -32.813 27.273 0.00 0.00 WAT1 ATOM 4988 H1 TIP3 1003 28.433 -32.794 28.196 0.00 0.00 WAT1 ATOM 4989 H2 TIP3 1003 28.430 -33.685 26.972 0.00 0.00 WAT1 ATOM 4990 OH2 TIP3 1004 24.453 -30.062 37.709 0.00 0.00 WAT1 ATOM 4991 H1 TIP3 1004 23.811 -30.103 38.418 0.00 0.00 WAT1 ATOM 4992 H2 TIP3 1004 24.490 -29.136 37.471 0.00 0.00 WAT1 ATOM 4993 OH2 TIP3 1005 22.203 -29.742 39.576 0.00 0.00 WAT1 ATOM 4994 H1 TIP3 1005 22.165 -29.342 40.444 0.00 0.00 WAT1 ATOM 4995 H2 TIP3 1005 21.712 -30.559 39.666 0.00 0.00 WAT1 ATOM 4996 OH2 TIP3 1006 25.569 -32.368 26.374 0.00 0.00 WAT1 ATOM 4997 H1 TIP3 1006 25.138 -32.813 27.104 0.00 0.00 WAT1 ATOM 4998 H2 TIP3 1006 24.851 -31.996 25.862 0.00 0.00 WAT1 ATOM 4999 OH2 TIP3 1007 27.032 -32.414 33.707 0.00 0.00 WAT1 ATOM 5000 H1 TIP3 1007 26.121 -32.357 33.996 0.00 0.00 WAT1 ATOM 5001 H2 TIP3 1007 27.537 -32.474 34.518 0.00 0.00 WAT1 ATOM 5002 OH2 TIP3 1008 25.513 -30.785 30.190 0.00 0.00 WAT1 ATOM 5003 H1 TIP3 1008 26.445 -30.656 30.368 0.00 0.00 WAT1 ATOM 5004 H2 TIP3 1008 25.298 -30.115 29.541 0.00 0.00 WAT1 ATOM 5005 OH2 TIP3 1009 28.352 -29.626 35.594 0.00 0.00 WAT1 ATOM 5006 H1 TIP3 1009 28.916 -30.173 35.047 0.00 0.00 WAT1 ATOM 5007 H2 TIP3 1009 28.204 -30.148 36.383 0.00 0.00 WAT1 ATOM 5008 OH2 TIP3 1010 26.978 -31.238 38.008 0.00 0.00 WAT1 ATOM 5009 H1 TIP3 1010 26.143 -30.784 38.118 0.00 0.00 WAT1 ATOM 5010 H2 TIP3 1010 27.502 -30.962 38.760 0.00 0.00 WAT1 ATOM 5011 OH2 TIP3 1011 27.522 -25.025 29.693 0.00 0.00 WAT1 ATOM 5012 H1 TIP3 1011 26.778 -25.532 29.370 0.00 0.00 WAT1 ATOM 5013 H2 TIP3 1011 27.388 -24.976 30.639 0.00 0.00 WAT1 ATOM 5014 OH2 TIP3 1012 22.647 -25.730 35.462 0.00 0.00 WAT1 ATOM 5015 H1 TIP3 1012 23.392 -25.732 34.861 0.00 0.00 WAT1 ATOM 5016 H2 TIP3 1012 22.725 -26.554 35.944 0.00 0.00 WAT1 ATOM 5017 OH2 TIP3 1013 19.655 -27.269 40.777 0.00 0.00 WAT1 ATOM 5018 H1 TIP3 1013 19.878 -27.687 41.609 0.00 0.00 WAT1 ATOM 5019 H2 TIP3 1013 19.053 -27.882 40.355 0.00 0.00 WAT1 ATOM 5020 OH2 TIP3 1014 25.022 -22.212 32.867 0.00 0.00 WAT1 ATOM 5021 H1 TIP3 1014 25.549 -21.439 32.666 0.00 0.00 WAT1 ATOM 5022 H2 TIP3 1014 24.142 -21.987 32.565 0.00 0.00 WAT1 ATOM 5023 OH2 TIP3 1015 26.449 -24.549 32.443 0.00 0.00 WAT1 ATOM 5024 H1 TIP3 1015 26.208 -23.624 32.485 0.00 0.00 WAT1 ATOM 5025 H2 TIP3 1015 25.709 -25.008 32.839 0.00 0.00 WAT1 ATOM 5026 OH2 TIP3 1016 25.133 -19.527 31.988 0.00 0.00 WAT1 ATOM 5027 H1 TIP3 1016 24.183 -19.422 32.040 0.00 0.00 WAT1 ATOM 5028 H2 TIP3 1016 25.484 -18.707 32.333 0.00 0.00 WAT1 ATOM 5029 OH2 TIP3 1017 21.289 -32.516 40.335 0.00 0.00 WAT1 ATOM 5030 H1 TIP3 1017 20.396 -32.177 40.268 0.00 0.00 WAT1 ATOM 5031 H2 TIP3 1017 21.190 -33.371 40.753 0.00 0.00 WAT1 ATOM 5032 OH2 TIP3 1018 20.940 -20.711 38.770 0.00 0.00 WAT1 ATOM 5033 H1 TIP3 1018 21.157 -21.643 38.739 0.00 0.00 WAT1 ATOM 5034 H2 TIP3 1018 21.187 -20.437 39.654 0.00 0.00 WAT1 ATOM 5035 OH2 TIP3 1019 26.802 -22.260 25.980 0.00 0.00 WAT1 ATOM 5036 H1 TIP3 1019 27.041 -23.008 25.432 0.00 0.00 WAT1 ATOM 5037 H2 TIP3 1019 26.533 -22.648 26.812 0.00 0.00 WAT1 ATOM 5038 OH2 TIP3 1020 25.739 -22.690 28.436 0.00 0.00 WAT1 ATOM 5039 H1 TIP3 1020 25.886 -23.210 29.226 0.00 0.00 WAT1 ATOM 5040 H2 TIP3 1020 25.736 -21.783 28.742 0.00 0.00 WAT1 ATOM 5041 OH2 TIP3 1021 28.008 -31.395 31.157 0.00 0.00 WAT1 ATOM 5042 H1 TIP3 1021 28.820 -30.891 31.203 0.00 0.00 WAT1 ATOM 5043 H2 TIP3 1021 27.763 -31.540 32.071 0.00 0.00 WAT1 ATOM 5044 OH2 TIP3 1022 28.892 -34.314 32.095 0.00 0.00 WAT1 ATOM 5045 H1 TIP3 1022 28.545 -33.696 32.740 0.00 0.00 WAT1 ATOM 5046 H2 TIP3 1022 29.550 -33.813 31.614 0.00 0.00 WAT1 ATOM 5047 OH2 TIP3 1023 25.815 -19.949 29.167 0.00 0.00 WAT1 ATOM 5048 H1 TIP3 1023 25.976 -19.149 28.666 0.00 0.00 WAT1 ATOM 5049 H2 TIP3 1023 25.618 -19.642 30.052 0.00 0.00 WAT1 ATOM 5050 OH2 TIP3 1024 24.549 -33.251 28.783 0.00 0.00 WAT1 ATOM 5051 H1 TIP3 1024 24.466 -32.362 29.129 0.00 0.00 WAT1 ATOM 5052 H2 TIP3 1024 25.439 -33.516 29.014 0.00 0.00 WAT1 ATOM 5053 OH2 TIP3 1025 20.862 -21.437 31.793 0.00 0.00 WAT1 ATOM 5054 H1 TIP3 1025 20.030 -20.964 31.820 0.00 0.00 WAT1 ATOM 5055 H2 TIP3 1025 21.408 -20.927 31.194 0.00 0.00 WAT1 ATOM 5056 OH2 TIP3 1026 28.840 -20.397 26.118 0.00 0.00 WAT1 ATOM 5057 H1 TIP3 1026 28.196 -21.028 26.440 0.00 0.00 WAT1 ATOM 5058 H2 TIP3 1026 29.602 -20.928 25.886 0.00 0.00 WAT1 ATOM 5059 OH2 TIP3 1027 24.399 -24.670 26.209 0.00 0.00 WAT1 ATOM 5060 H1 TIP3 1027 24.463 -25.464 26.740 0.00 0.00 WAT1 ATOM 5061 H2 TIP3 1027 25.052 -24.789 25.520 0.00 0.00 WAT1 ATOM 5062 OH2 TIP3 1028 29.751 -23.623 25.945 0.00 0.00 WAT1 ATOM 5063 H1 TIP3 1028 29.483 -23.443 26.846 0.00 0.00 WAT1 ATOM 5064 H2 TIP3 1028 29.545 -24.549 25.814 0.00 0.00 WAT1 ATOM 5065 OH2 TIP3 1029 20.890 -27.814 43.497 0.00 0.00 WAT1 ATOM 5066 H1 TIP3 1029 21.298 -28.671 43.376 0.00 0.00 WAT1 ATOM 5067 H2 TIP3 1029 20.630 -27.799 44.418 0.00 0.00 WAT1 ATOM 5068 OH2 TIP3 1030 25.548 -26.698 28.515 0.00 0.00 WAT1 ATOM 5069 H1 TIP3 1030 25.089 -27.182 29.201 0.00 0.00 WAT1 ATOM 5070 H2 TIP3 1030 25.803 -27.366 27.879 0.00 0.00 WAT1 ATOM 5071 OH2 TIP3 1031 26.619 -28.455 26.778 0.00 0.00 WAT1 ATOM 5072 H1 TIP3 1031 26.439 -28.609 25.850 0.00 0.00 WAT1 ATOM 5073 H2 TIP3 1031 27.570 -28.347 26.822 0.00 0.00 WAT1 ATOM 5074 OH2 TIP3 1032 25.177 -31.450 41.954 0.00 0.00 WAT1 ATOM 5075 H1 TIP3 1032 25.327 -32.179 41.351 0.00 0.00 WAT1 ATOM 5076 H2 TIP3 1032 25.179 -30.673 41.395 0.00 0.00 WAT1 ATOM 5077 OH2 TIP3 1033 25.589 -33.080 39.446 0.00 0.00 WAT1 ATOM 5078 H1 TIP3 1033 26.125 -32.629 38.794 0.00 0.00 WAT1 ATOM 5079 H2 TIP3 1033 24.737 -33.188 39.024 0.00 0.00 WAT1 ATOM 5080 OH2 TIP3 1034 23.655 -30.252 43.865 0.00 0.00 WAT1 ATOM 5081 H1 TIP3 1034 22.888 -30.784 43.655 0.00 0.00 WAT1 ATOM 5082 H2 TIP3 1034 24.334 -30.562 43.266 0.00 0.00 WAT1 ATOM 5083 OH2 TIP3 1035 26.395 -35.624 39.878 0.00 0.00 WAT1 ATOM 5084 H1 TIP3 1035 26.297 -34.677 39.772 0.00 0.00 WAT1 ATOM 5085 H2 TIP3 1035 25.652 -35.996 39.402 0.00 0.00 WAT1 ATOM 5086 OH2 TIP3 1036 21.836 -32.331 43.570 0.00 0.00 WAT1 ATOM 5087 H1 TIP3 1036 22.047 -33.038 42.959 0.00 0.00 WAT1 ATOM 5088 H2 TIP3 1036 21.724 -32.769 44.414 0.00 0.00 WAT1 ATOM 5089 OH2 TIP3 1037 26.617 -36.330 42.549 0.00 0.00 WAT1 ATOM 5090 H1 TIP3 1037 27.329 -36.970 42.535 0.00 0.00 WAT1 ATOM 5091 H2 TIP3 1037 26.516 -36.063 41.635 0.00 0.00 WAT1 ATOM 5092 OH2 TIP3 1038 26.970 -34.647 44.603 0.00 0.00 WAT1 ATOM 5093 H1 TIP3 1038 26.839 -35.123 43.782 0.00 0.00 WAT1 ATOM 5094 H2 TIP3 1038 26.371 -33.903 44.547 0.00 0.00 WAT1 ATOM 5095 OH2 TIP3 1039 26.517 -17.764 27.779 0.00 0.00 WAT1 ATOM 5096 H1 TIP3 1039 27.450 -17.606 27.923 0.00 0.00 WAT1 ATOM 5097 H2 TIP3 1039 26.253 -17.089 27.154 0.00 0.00 WAT1 ATOM 5098 OH2 TIP3 1040 19.684 -26.579 36.595 0.00 0.00 WAT1 ATOM 5099 H1 TIP3 1040 19.868 -26.661 35.660 0.00 0.00 WAT1 ATOM 5100 H2 TIP3 1040 20.533 -26.703 37.019 0.00 0.00 WAT1 ATOM 5101 OH2 TIP3 1041 24.230 -20.851 39.498 0.00 0.00 WAT1 ATOM 5102 H1 TIP3 1041 23.805 -20.042 39.215 0.00 0.00 WAT1 ATOM 5103 H2 TIP3 1041 25.135 -20.766 39.196 0.00 0.00 WAT1 ATOM 5104 OH2 TIP3 1042 21.632 -17.595 39.545 0.00 0.00 WAT1 ATOM 5105 H1 TIP3 1042 20.912 -17.155 39.094 0.00 0.00 WAT1 ATOM 5106 H2 TIP3 1042 21.266 -17.846 40.394 0.00 0.00 WAT1 ATOM 5107 OH2 TIP3 1043 24.099 -17.995 38.575 0.00 0.00 WAT1 ATOM 5108 H1 TIP3 1043 23.234 -17.923 38.979 0.00 0.00 WAT1 ATOM 5109 H2 TIP3 1043 24.044 -17.448 37.791 0.00 0.00 WAT1 ATOM 5110 OH2 TIP3 1044 23.188 -20.262 35.111 0.00 0.00 WAT1 ATOM 5111 H1 TIP3 1044 22.969 -21.178 35.280 0.00 0.00 WAT1 ATOM 5112 H2 TIP3 1044 24.012 -20.122 35.577 0.00 0.00 WAT1 ATOM 5113 OH2 TIP3 1045 25.725 -19.792 35.959 0.00 0.00 WAT1 ATOM 5114 H1 TIP3 1045 25.938 -20.680 35.672 0.00 0.00 WAT1 ATOM 5115 H2 TIP3 1045 25.790 -19.826 36.914 0.00 0.00 WAT1 ATOM 5116 OH2 TIP3 1046 26.140 -35.567 32.739 0.00 0.00 WAT1 ATOM 5117 H1 TIP3 1046 27.014 -35.179 32.709 0.00 0.00 WAT1 ATOM 5118 H2 TIP3 1046 26.004 -35.782 33.662 0.00 0.00 WAT1 ATOM 5119 OH2 TIP3 1047 27.284 -33.487 29.629 0.00 0.00 WAT1 ATOM 5120 H1 TIP3 1047 27.462 -34.133 30.312 0.00 0.00 WAT1 ATOM 5121 H2 TIP3 1047 27.230 -32.653 30.096 0.00 0.00 WAT1 ATOM 5122 OH2 TIP3 1048 29.162 -18.538 28.024 0.00 0.00 WAT1 ATOM 5123 H1 TIP3 1048 30.028 -18.172 27.846 0.00 0.00 WAT1 ATOM 5124 H2 TIP3 1048 28.915 -18.978 27.211 0.00 0.00 WAT1 ATOM 5125 OH2 TIP3 1049 19.474 -29.358 50.680 0.00 0.00 WAT1 ATOM 5126 H1 TIP3 1049 19.026 -28.512 50.662 0.00 0.00 WAT1 ATOM 5127 H2 TIP3 1049 18.913 -29.938 50.165 0.00 0.00 WAT1 ATOM 5128 OH2 TIP3 1050 24.257 -32.155 53.165 0.00 0.00 WAT1 ATOM 5129 H1 TIP3 1050 24.300 -31.295 52.747 0.00 0.00 WAT1 ATOM 5130 H2 TIP3 1050 23.799 -32.707 52.532 0.00 0.00 WAT1 ATOM 5131 OH2 TIP3 1051 24.450 -29.841 51.477 0.00 0.00 WAT1 ATOM 5132 H1 TIP3 1051 23.557 -30.182 51.418 0.00 0.00 WAT1 ATOM 5133 H2 TIP3 1051 24.901 -30.218 50.721 0.00 0.00 WAT1 ATOM 5134 OH2 TIP3 1052 25.569 -32.368 45.230 0.00 0.00 WAT1 ATOM 5135 H1 TIP3 1052 25.138 -32.813 45.960 0.00 0.00 WAT1 ATOM 5136 H2 TIP3 1052 24.851 -31.996 44.718 0.00 0.00 WAT1 ATOM 5137 OH2 TIP3 1053 18.811 -32.626 52.282 0.00 0.00 WAT1 ATOM 5138 H1 TIP3 1053 19.442 -32.655 53.002 0.00 0.00 WAT1 ATOM 5139 H2 TIP3 1053 19.261 -33.051 51.552 0.00 0.00 WAT1 ATOM 5140 OH2 TIP3 1054 21.860 -30.785 51.390 0.00 0.00 WAT1 ATOM 5141 H1 TIP3 1054 20.971 -30.685 51.050 0.00 0.00 WAT1 ATOM 5142 H2 TIP3 1054 22.156 -31.627 51.044 0.00 0.00 WAT1 ATOM 5143 OH2 TIP3 1055 25.513 -30.785 49.046 0.00 0.00 WAT1 ATOM 5144 H1 TIP3 1055 26.445 -30.656 49.224 0.00 0.00 WAT1 ATOM 5145 H2 TIP3 1055 25.298 -30.115 48.397 0.00 0.00 WAT1 ATOM 5146 OH2 TIP3 1056 24.187 -29.590 46.613 0.00 0.00 WAT1 ATOM 5147 H1 TIP3 1056 23.645 -29.970 45.922 0.00 0.00 WAT1 ATOM 5148 H2 TIP3 1056 25.021 -29.396 46.184 0.00 0.00 WAT1 ATOM 5149 OH2 TIP3 1057 23.354 -33.490 50.868 0.00 0.00 WAT1 ATOM 5150 H1 TIP3 1057 23.037 -34.392 50.833 0.00 0.00 WAT1 ATOM 5151 H2 TIP3 1057 24.135 -33.488 50.316 0.00 0.00 WAT1 ATOM 5152 OH2 TIP3 1058 24.549 -33.251 47.639 0.00 0.00 WAT1 ATOM 5153 H1 TIP3 1058 24.466 -32.362 47.985 0.00 0.00 WAT1 ATOM 5154 H2 TIP3 1058 25.439 -33.516 47.870 0.00 0.00 WAT1 ATOM 5155 OH2 TIP3 1059 21.124 -30.159 45.815 0.00 0.00 WAT1 ATOM 5156 H1 TIP3 1059 21.079 -29.220 45.994 0.00 0.00 WAT1 ATOM 5157 H2 TIP3 1059 20.236 -30.395 45.545 0.00 0.00 WAT1 ATOM 5158 OH2 TIP3 1060 21.932 -35.377 54.488 0.00 0.00 WAT1 ATOM 5159 H1 TIP3 1060 21.703 -35.318 53.561 0.00 0.00 WAT1 ATOM 5160 H2 TIP3 1060 21.489 -36.169 54.795 0.00 0.00 WAT1 ATOM 5161 OH2 TIP3 1061 20.503 -32.996 54.483 0.00 0.00 WAT1 ATOM 5162 H1 TIP3 1061 20.948 -33.788 54.785 0.00 0.00 WAT1 ATOM 5163 H2 TIP3 1061 20.969 -32.280 54.914 0.00 0.00 WAT1 ATOM 5164 OH2 TIP3 1062 26.140 -35.567 51.595 0.00 0.00 WAT1 ATOM 5165 H1 TIP3 1062 27.014 -35.179 51.565 0.00 0.00 WAT1 ATOM 5166 H2 TIP3 1062 26.004 -35.782 52.518 0.00 0.00 WAT1 ATOM 5167 OH2 TIP3 1063 27.284 -33.487 48.485 0.00 0.00 WAT1 ATOM 5168 H1 TIP3 1063 27.462 -34.133 49.168 0.00 0.00 WAT1 ATOM 5169 H2 TIP3 1063 27.230 -32.653 48.952 0.00 0.00 WAT1 ATOM 5170 OH2 TIP3 1064 23.897 -2.158 4.573 0.00 0.00 WAT1 ATOM 5171 H1 TIP3 1064 23.905 -2.294 3.625 0.00 0.00 WAT1 ATOM 5172 H2 TIP3 1064 22.981 -2.276 4.825 0.00 0.00 WAT1 ATOM 5173 OH2 TIP3 1065 19.494 -5.965 1.863 0.00 0.00 WAT1 ATOM 5174 H1 TIP3 1065 18.993 -5.993 1.048 0.00 0.00 WAT1 ATOM 5175 H2 TIP3 1065 19.500 -6.871 2.173 0.00 0.00 WAT1 ATOM 5176 OH2 TIP3 1066 21.743 -4.642 2.906 0.00 0.00 WAT1 ATOM 5177 H1 TIP3 1066 21.960 -5.003 3.766 0.00 0.00 WAT1 ATOM 5178 H2 TIP3 1066 20.888 -5.016 2.696 0.00 0.00 WAT1 ATOM 5179 OH2 TIP3 1067 22.322 -6.177 5.144 0.00 0.00 WAT1 ATOM 5180 H1 TIP3 1067 23.055 -5.923 5.705 0.00 0.00 WAT1 ATOM 5181 H2 TIP3 1067 21.542 -5.973 5.659 0.00 0.00 WAT1 ATOM 5182 OH2 TIP3 1068 19.655 -8.413 3.065 0.00 0.00 WAT1 ATOM 5183 H1 TIP3 1068 19.878 -8.831 3.897 0.00 0.00 WAT1 ATOM 5184 H2 TIP3 1068 19.053 -9.026 2.643 0.00 0.00 WAT1 ATOM 5185 OH2 TIP3 1069 20.151 0.032 5.411 0.00 0.00 WAT1 ATOM 5186 H1 TIP3 1069 20.691 -0.185 6.170 0.00 0.00 WAT1 ATOM 5187 H2 TIP3 1069 19.670 -0.774 5.221 0.00 0.00 WAT1 ATOM 5188 OH2 TIP3 1070 24.748 -1.049 7.031 0.00 0.00 WAT1 ATOM 5189 H1 TIP3 1070 25.516 -1.508 7.372 0.00 0.00 WAT1 ATOM 5190 H2 TIP3 1070 24.727 -1.275 6.101 0.00 0.00 WAT1 ATOM 5191 OH2 TIP3 1071 20.058 -6.158 6.365 0.00 0.00 WAT1 ATOM 5192 H1 TIP3 1071 20.202 -7.060 6.079 0.00 0.00 WAT1 ATOM 5193 H2 TIP3 1071 19.285 -5.872 5.877 0.00 0.00 WAT1 ATOM 5194 OH2 TIP3 1072 20.890 -8.958 5.785 0.00 0.00 WAT1 ATOM 5195 H1 TIP3 1072 21.298 -9.815 5.664 0.00 0.00 WAT1 ATOM 5196 H2 TIP3 1072 20.630 -8.943 6.706 0.00 0.00 WAT1 ATOM 5197 OH2 TIP3 1073 19.084 -16.145 1.383 0.00 0.00 WAT1 ATOM 5198 H1 TIP3 1073 18.419 -16.391 2.026 0.00 0.00 WAT1 ATOM 5199 H2 TIP3 1073 18.641 -15.523 0.806 0.00 0.00 WAT1 ATOM 5200 OH2 TIP3 1074 21.276 -2.970 5.527 0.00 0.00 WAT1 ATOM 5201 H1 TIP3 1074 20.455 -2.795 5.067 0.00 0.00 WAT1 ATOM 5202 H2 TIP3 1074 21.024 -3.043 6.448 0.00 0.00 WAT1 ATOM 5203 OH2 TIP3 1075 21.518 -16.124 4.731 0.00 0.00 WAT1 ATOM 5204 H1 TIP3 1075 21.152 -16.889 5.174 0.00 0.00 WAT1 ATOM 5205 H2 TIP3 1075 22.431 -16.095 5.018 0.00 0.00 WAT1 ATOM 5206 OH2 TIP3 1076 23.491 -16.773 6.267 0.00 0.00 WAT1 ATOM 5207 H1 TIP3 1076 24.390 -17.047 6.082 0.00 0.00 WAT1 ATOM 5208 H2 TIP3 1076 23.105 -17.516 6.731 0.00 0.00 WAT1 ATOM 5209 OH2 TIP3 1077 29.572 -8.227 17.447 0.00 0.00 WAT1 ATOM 5210 H1 TIP3 1077 29.534 -8.873 18.152 0.00 0.00 WAT1 ATOM 5211 H2 TIP3 1077 29.249 -8.693 16.676 0.00 0.00 WAT1 ATOM 5212 OH2 TIP3 1078 19.474 -10.502 12.968 0.00 0.00 WAT1 ATOM 5213 H1 TIP3 1078 19.026 -9.656 12.950 0.00 0.00 WAT1 ATOM 5214 H2 TIP3 1078 18.913 -11.082 12.453 0.00 0.00 WAT1 ATOM 5215 OH2 TIP3 1079 20.184 -8.340 15.094 0.00 0.00 WAT1 ATOM 5216 H1 TIP3 1079 20.398 -9.110 15.621 0.00 0.00 WAT1 ATOM 5217 H2 TIP3 1079 20.922 -8.251 14.491 0.00 0.00 WAT1 ATOM 5218 OH2 TIP3 1080 27.961 -5.794 17.853 0.00 0.00 WAT1 ATOM 5219 H1 TIP3 1080 28.265 -6.480 17.259 0.00 0.00 WAT1 ATOM 5220 H2 TIP3 1080 28.683 -5.676 18.471 0.00 0.00 WAT1 ATOM 5221 OH2 TIP3 1081 24.257 -13.299 15.453 0.00 0.00 WAT1 ATOM 5222 H1 TIP3 1081 24.300 -12.439 15.035 0.00 0.00 WAT1 ATOM 5223 H2 TIP3 1081 23.799 -13.851 14.820 0.00 0.00 WAT1 ATOM 5224 OH2 TIP3 1082 20.877 -10.902 16.215 0.00 0.00 WAT1 ATOM 5225 H1 TIP3 1082 21.531 -11.452 16.647 0.00 0.00 WAT1 ATOM 5226 H2 TIP3 1082 20.901 -11.176 15.299 0.00 0.00 WAT1 ATOM 5227 OH2 TIP3 1083 26.033 -9.352 15.431 0.00 0.00 WAT1 ATOM 5228 H1 TIP3 1083 26.649 -9.878 15.940 0.00 0.00 WAT1 ATOM 5229 H2 TIP3 1083 25.447 -9.992 15.027 0.00 0.00 WAT1 ATOM 5230 OH2 TIP3 1084 25.636 -6.705 19.815 0.00 0.00 WAT1 ATOM 5231 H1 TIP3 1084 24.896 -6.107 19.918 0.00 0.00 WAT1 ATOM 5232 H2 TIP3 1084 26.350 -6.151 19.499 0.00 0.00 WAT1 ATOM 5233 OH2 TIP3 1085 24.044 -4.741 20.602 0.00 0.00 WAT1 ATOM 5234 H1 TIP3 1085 24.038 -3.862 20.224 0.00 0.00 WAT1 ATOM 5235 H2 TIP3 1085 23.190 -4.824 21.027 0.00 0.00 WAT1 ATOM 5236 OH2 TIP3 1086 24.411 -7.398 14.315 0.00 0.00 WAT1 ATOM 5237 H1 TIP3 1086 24.081 -7.768 13.496 0.00 0.00 WAT1 ATOM 5238 H2 TIP3 1086 24.999 -8.068 14.661 0.00 0.00 WAT1 ATOM 5239 OH2 TIP3 1087 24.778 -8.629 17.948 0.00 0.00 WAT1 ATOM 5240 H1 TIP3 1087 25.343 -8.508 17.185 0.00 0.00 WAT1 ATOM 5241 H2 TIP3 1087 25.097 -7.992 18.587 0.00 0.00 WAT1 ATOM 5242 OH2 TIP3 1088 25.658 -4.230 22.665 0.00 0.00 WAT1 ATOM 5243 H1 TIP3 1088 25.346 -3.448 23.121 0.00 0.00 WAT1 ATOM 5244 H2 TIP3 1088 25.008 -4.383 21.979 0.00 0.00 WAT1 ATOM 5245 OH2 TIP3 1089 23.401 -8.328 11.904 0.00 0.00 WAT1 ATOM 5246 H1 TIP3 1089 23.109 -7.560 11.413 0.00 0.00 WAT1 ATOM 5247 H2 TIP3 1089 22.727 -8.988 11.741 0.00 0.00 WAT1 ATOM 5248 OH2 TIP3 1090 19.494 -5.965 20.719 0.00 0.00 WAT1 ATOM 5249 H1 TIP3 1090 18.993 -5.993 19.904 0.00 0.00 WAT1 ATOM 5250 H2 TIP3 1090 19.500 -6.871 21.029 0.00 0.00 WAT1 ATOM 5251 OH2 TIP3 1091 19.245 -3.185 17.603 0.00 0.00 WAT1 ATOM 5252 H1 TIP3 1091 20.191 -3.329 17.584 0.00 0.00 WAT1 ATOM 5253 H2 TIP3 1091 19.132 -2.401 18.140 0.00 0.00 WAT1 ATOM 5254 OH2 TIP3 1092 22.489 -0.384 13.748 0.00 0.00 WAT1 ATOM 5255 H1 TIP3 1092 22.641 -0.732 14.627 0.00 0.00 WAT1 ATOM 5256 H2 TIP3 1092 21.638 -0.740 13.493 0.00 0.00 WAT1 ATOM 5257 OH2 TIP3 1093 21.743 -4.642 21.762 0.00 0.00 WAT1 ATOM 5258 H1 TIP3 1093 21.960 -5.003 22.622 0.00 0.00 WAT1 ATOM 5259 H2 TIP3 1093 20.888 -5.016 21.552 0.00 0.00 WAT1 ATOM 5260 OH2 TIP3 1094 29.025 -16.450 21.132 0.00 0.00 WAT1 ATOM 5261 H1 TIP3 1094 29.445 -16.865 21.885 0.00 0.00 WAT1 ATOM 5262 H2 TIP3 1094 28.092 -16.628 21.249 0.00 0.00 WAT1 ATOM 5263 OH2 TIP3 1095 24.450 -10.985 13.765 0.00 0.00 WAT1 ATOM 5264 H1 TIP3 1095 23.557 -11.326 13.706 0.00 0.00 WAT1 ATOM 5265 H2 TIP3 1095 24.901 -11.362 13.009 0.00 0.00 WAT1 ATOM 5266 OH2 TIP3 1096 29.088 -10.394 24.070 0.00 0.00 WAT1 ATOM 5267 H1 TIP3 1096 28.525 -11.098 24.390 0.00 0.00 WAT1 ATOM 5268 H2 TIP3 1096 29.914 -10.514 24.537 0.00 0.00 WAT1 ATOM 5269 OH2 TIP3 1097 20.086 -13.024 9.994 0.00 0.00 WAT1 ATOM 5270 H1 TIP3 1097 20.560 -12.433 9.409 0.00 0.00 WAT1 ATOM 5271 H2 TIP3 1097 19.368 -12.493 10.341 0.00 0.00 WAT1 ATOM 5272 OH2 TIP3 1098 30.254 -9.485 20.067 0.00 0.00 WAT1 ATOM 5273 H1 TIP3 1098 30.578 -10.116 19.424 0.00 0.00 WAT1 ATOM 5274 H2 TIP3 1098 29.814 -10.020 20.728 0.00 0.00 WAT1 ATOM 5275 OH2 TIP3 1099 27.032 -13.558 14.851 0.00 0.00 WAT1 ATOM 5276 H1 TIP3 1099 26.121 -13.501 15.140 0.00 0.00 WAT1 ATOM 5277 H2 TIP3 1099 27.537 -13.618 15.662 0.00 0.00 WAT1 ATOM 5278 OH2 TIP3 1100 21.860 -11.929 13.678 0.00 0.00 WAT1 ATOM 5279 H1 TIP3 1100 20.971 -11.829 13.338 0.00 0.00 WAT1 ATOM 5280 H2 TIP3 1100 22.156 -12.771 13.332 0.00 0.00 WAT1 ATOM 5281 OH2 TIP3 1101 31.437 -14.323 18.115 0.00 0.00 WAT1 ATOM 5282 H1 TIP3 1101 30.760 -14.192 18.779 0.00 0.00 WAT1 ATOM 5283 H2 TIP3 1101 30.951 -14.478 17.305 0.00 0.00 WAT1 ATOM 5284 OH2 TIP3 1102 22.322 -6.177 24.000 0.00 0.00 WAT1 ATOM 5285 H1 TIP3 1102 23.055 -5.923 24.561 0.00 0.00 WAT1 ATOM 5286 H2 TIP3 1102 21.542 -5.973 24.515 0.00 0.00 WAT1 ATOM 5287 OH2 TIP3 1103 28.352 -10.770 16.738 0.00 0.00 WAT1 ATOM 5288 H1 TIP3 1103 28.916 -11.317 16.191 0.00 0.00 WAT1 ATOM 5289 H2 TIP3 1103 28.204 -11.292 17.527 0.00 0.00 WAT1 ATOM 5290 OH2 TIP3 1104 23.354 -14.634 13.156 0.00 0.00 WAT1 ATOM 5291 H1 TIP3 1104 23.037 -15.536 13.121 0.00 0.00 WAT1 ATOM 5292 H2 TIP3 1104 24.135 -14.632 12.604 0.00 0.00 WAT1 ATOM 5293 OH2 TIP3 1105 26.978 -12.382 19.152 0.00 0.00 WAT1 ATOM 5294 H1 TIP3 1105 26.143 -11.928 19.262 0.00 0.00 WAT1 ATOM 5295 H2 TIP3 1105 27.502 -12.106 19.904 0.00 0.00 WAT1 ATOM 5296 OH2 TIP3 1106 29.042 -5.985 22.074 0.00 0.00 WAT1 ATOM 5297 H1 TIP3 1106 28.696 -6.366 22.880 0.00 0.00 WAT1 ATOM 5298 H2 TIP3 1106 28.842 -5.051 22.145 0.00 0.00 WAT1 ATOM 5299 OH2 TIP3 1107 22.647 -6.874 16.606 0.00 0.00 WAT1 ATOM 5300 H1 TIP3 1107 23.392 -6.876 16.005 0.00 0.00 WAT1 ATOM 5301 H2 TIP3 1107 22.725 -7.698 17.088 0.00 0.00 WAT1 ATOM 5302 OH2 TIP3 1108 19.655 -8.413 21.921 0.00 0.00 WAT1 ATOM 5303 H1 TIP3 1108 19.878 -8.831 22.753 0.00 0.00 WAT1 ATOM 5304 H2 TIP3 1108 19.053 -9.026 21.499 0.00 0.00 WAT1 ATOM 5305 OH2 TIP3 1109 26.672 -8.896 24.134 0.00 0.00 WAT1 ATOM 5306 H1 TIP3 1109 26.376 -9.062 23.239 0.00 0.00 WAT1 ATOM 5307 H2 TIP3 1109 27.603 -9.116 24.124 0.00 0.00 WAT1 ATOM 5308 OH2 TIP3 1110 20.777 -8.494 8.598 0.00 0.00 WAT1 ATOM 5309 H1 TIP3 1110 21.393 -7.867 8.977 0.00 0.00 WAT1 ATOM 5310 H2 TIP3 1110 19.915 -8.178 8.869 0.00 0.00 WAT1 ATOM 5311 OH2 TIP3 1111 25.133 -0.671 13.132 0.00 0.00 WAT1 ATOM 5312 H1 TIP3 1111 24.183 -0.566 13.184 0.00 0.00 WAT1 ATOM 5313 H2 TIP3 1111 25.484 0.149 13.477 0.00 0.00 WAT1 ATOM 5314 OH2 TIP3 1112 25.739 -3.834 9.580 0.00 0.00 WAT1 ATOM 5315 H1 TIP3 1112 25.886 -4.354 10.370 0.00 0.00 WAT1 ATOM 5316 H2 TIP3 1112 25.736 -2.927 9.886 0.00 0.00 WAT1 ATOM 5317 OH2 TIP3 1113 22.192 -6.581 10.090 0.00 0.00 WAT1 ATOM 5318 H1 TIP3 1113 21.506 -6.229 10.657 0.00 0.00 WAT1 ATOM 5319 H2 TIP3 1113 22.715 -5.818 9.844 0.00 0.00 WAT1 ATOM 5320 OH2 TIP3 1114 30.024 -13.919 20.369 0.00 0.00 WAT1 ATOM 5321 H1 TIP3 1114 30.722 -13.845 21.019 0.00 0.00 WAT1 ATOM 5322 H2 TIP3 1114 29.643 -14.783 20.524 0.00 0.00 WAT1 ATOM 5323 OH2 TIP3 1115 28.008 -12.539 12.301 0.00 0.00 WAT1 ATOM 5324 H1 TIP3 1115 28.820 -12.035 12.347 0.00 0.00 WAT1 ATOM 5325 H2 TIP3 1115 27.763 -12.684 13.215 0.00 0.00 WAT1 ATOM 5326 OH2 TIP3 1116 28.544 -11.553 21.486 0.00 0.00 WAT1 ATOM 5327 H1 TIP3 1116 28.663 -10.979 22.243 0.00 0.00 WAT1 ATOM 5328 H2 TIP3 1116 29.199 -12.241 21.601 0.00 0.00 WAT1 ATOM 5329 OH2 TIP3 1117 28.892 -15.458 13.239 0.00 0.00 WAT1 ATOM 5330 H1 TIP3 1117 28.545 -14.840 13.884 0.00 0.00 WAT1 ATOM 5331 H2 TIP3 1117 29.550 -14.957 12.758 0.00 0.00 WAT1 ATOM 5332 OH2 TIP3 1118 25.815 -1.093 10.311 0.00 0.00 WAT1 ATOM 5333 H1 TIP3 1118 25.976 -0.293 9.810 0.00 0.00 WAT1 ATOM 5334 H2 TIP3 1118 25.618 -0.786 11.196 0.00 0.00 WAT1 ATOM 5335 OH2 TIP3 1119 22.808 -3.967 8.987 0.00 0.00 WAT1 ATOM 5336 H1 TIP3 1119 23.400 -3.268 9.263 0.00 0.00 WAT1 ATOM 5337 H2 TIP3 1119 23.267 -4.400 8.268 0.00 0.00 WAT1 ATOM 5338 OH2 TIP3 1120 20.862 -2.581 12.937 0.00 0.00 WAT1 ATOM 5339 H1 TIP3 1120 20.030 -2.108 12.964 0.00 0.00 WAT1 ATOM 5340 H2 TIP3 1120 21.408 -2.071 12.338 0.00 0.00 WAT1 ATOM 5341 OH2 TIP3 1121 20.058 -6.158 25.221 0.00 0.00 WAT1 ATOM 5342 H1 TIP3 1121 20.202 -7.060 24.935 0.00 0.00 WAT1 ATOM 5343 H2 TIP3 1121 19.285 -5.872 24.733 0.00 0.00 WAT1 ATOM 5344 OH2 TIP3 1122 24.399 -5.814 7.353 0.00 0.00 WAT1 ATOM 5345 H1 TIP3 1122 24.463 -6.608 7.884 0.00 0.00 WAT1 ATOM 5346 H2 TIP3 1122 25.052 -5.933 6.664 0.00 0.00 WAT1 ATOM 5347 OH2 TIP3 1123 26.713 -6.188 24.654 0.00 0.00 WAT1 ATOM 5348 H1 TIP3 1123 26.385 -5.917 23.796 0.00 0.00 WAT1 ATOM 5349 H2 TIP3 1123 26.865 -7.129 24.566 0.00 0.00 WAT1 ATOM 5350 OH2 TIP3 1124 20.890 -8.958 24.641 0.00 0.00 WAT1 ATOM 5351 H1 TIP3 1124 21.298 -9.815 24.520 0.00 0.00 WAT1 ATOM 5352 H2 TIP3 1124 20.630 -8.943 25.562 0.00 0.00 WAT1 ATOM 5353 OH2 TIP3 1125 29.857 -7.478 25.293 0.00 0.00 WAT1 ATOM 5354 H1 TIP3 1125 30.810 -7.394 25.265 0.00 0.00 WAT1 ATOM 5355 H2 TIP3 1125 29.697 -8.189 25.912 0.00 0.00 WAT1 ATOM 5356 OH2 TIP3 1126 27.171 -8.785 20.830 0.00 0.00 WAT1 ATOM 5357 H1 TIP3 1126 27.922 -8.941 20.257 0.00 0.00 WAT1 ATOM 5358 H2 TIP3 1126 26.832 -7.933 20.554 0.00 0.00 WAT1 ATOM 5359 OH2 TIP3 1127 31.587 -10.970 25.858 0.00 0.00 WAT1 ATOM 5360 H1 TIP3 1127 31.779 -11.901 25.747 0.00 0.00 WAT1 ATOM 5361 H2 TIP3 1127 32.444 -10.545 25.848 0.00 0.00 WAT1 ATOM 5362 OH2 TIP3 1128 30.375 -13.319 23.661 0.00 0.00 WAT1 ATOM 5363 H1 TIP3 1128 29.427 -13.287 23.793 0.00 0.00 WAT1 ATOM 5364 H2 TIP3 1128 30.687 -13.944 24.315 0.00 0.00 WAT1 ATOM 5365 OH2 TIP3 1129 32.009 -14.685 25.666 0.00 0.00 WAT1 ATOM 5366 H1 TIP3 1129 31.912 -15.637 25.660 0.00 0.00 WAT1 ATOM 5367 H2 TIP3 1129 31.687 -14.416 26.527 0.00 0.00 WAT1 ATOM 5368 OH2 TIP3 1130 18.734 1.121 13.483 0.00 0.00 WAT1 ATOM 5369 H1 TIP3 1130 18.087 0.659 12.950 0.00 0.00 WAT1 ATOM 5370 H2 TIP3 1130 19.089 0.449 14.066 0.00 0.00 WAT1 ATOM 5371 OH2 TIP3 1131 19.604 -0.798 15.288 0.00 0.00 WAT1 ATOM 5372 H1 TIP3 1131 19.270 -1.679 15.460 0.00 0.00 WAT1 ATOM 5373 H2 TIP3 1131 19.826 -0.453 16.152 0.00 0.00 WAT1 ATOM 5374 OH2 TIP3 1132 19.684 -7.723 17.739 0.00 0.00 WAT1 ATOM 5375 H1 TIP3 1132 19.868 -7.805 16.804 0.00 0.00 WAT1 ATOM 5376 H2 TIP3 1132 20.533 -7.847 18.163 0.00 0.00 WAT1 ATOM 5377 OH2 TIP3 1133 18.807 -11.141 17.840 0.00 0.00 WAT1 ATOM 5378 H1 TIP3 1133 19.299 -11.362 17.050 0.00 0.00 WAT1 ATOM 5379 H2 TIP3 1133 19.169 -10.300 18.121 0.00 0.00 WAT1 ATOM 5380 OH2 TIP3 1134 29.234 -15.272 16.248 0.00 0.00 WAT1 ATOM 5381 H1 TIP3 1134 28.559 -15.901 16.503 0.00 0.00 WAT1 ATOM 5382 H2 TIP3 1134 29.798 -15.756 15.645 0.00 0.00 WAT1 ATOM 5383 OH2 TIP3 1135 26.140 -16.711 13.883 0.00 0.00 WAT1 ATOM 5384 H1 TIP3 1135 27.014 -16.323 13.853 0.00 0.00 WAT1 ATOM 5385 H2 TIP3 1135 26.004 -16.926 14.806 0.00 0.00 WAT1 ATOM 5386 OH2 TIP3 1136 31.697 -16.681 15.532 0.00 0.00 WAT1 ATOM 5387 H1 TIP3 1136 31.773 -16.586 14.583 0.00 0.00 WAT1 ATOM 5388 H2 TIP3 1136 31.421 -17.589 15.661 0.00 0.00 WAT1 ATOM 5389 OH2 TIP3 1137 22.258 -14.924 8.316 0.00 0.00 WAT1 ATOM 5390 H1 TIP3 1137 22.749 -15.554 7.788 0.00 0.00 WAT1 ATOM 5391 H2 TIP3 1137 22.881 -14.628 8.979 0.00 0.00 WAT1 ATOM 5392 OH2 TIP3 1138 27.284 -14.631 10.773 0.00 0.00 WAT1 ATOM 5393 H1 TIP3 1138 27.462 -15.277 11.456 0.00 0.00 WAT1 ATOM 5394 H2 TIP3 1138 27.230 -13.797 11.240 0.00 0.00 WAT1 ATOM 5395 OH2 TIP3 1139 22.116 0.028 7.796 0.00 0.00 WAT1 ATOM 5396 H1 TIP3 1139 21.848 0.315 8.669 0.00 0.00 WAT1 ATOM 5397 H2 TIP3 1139 22.887 -0.518 7.948 0.00 0.00 WAT1 ATOM 5398 OH2 TIP3 1140 30.639 -7.482 32.884 0.00 0.00 WAT1 ATOM 5399 H1 TIP3 1140 30.728 -6.538 32.752 0.00 0.00 WAT1 ATOM 5400 H2 TIP3 1140 30.000 -7.757 32.226 0.00 0.00 WAT1 ATOM 5401 OH2 TIP3 1141 19.474 -10.502 31.824 0.00 0.00 WAT1 ATOM 5402 H1 TIP3 1141 19.026 -9.656 31.806 0.00 0.00 WAT1 ATOM 5403 H2 TIP3 1141 18.913 -11.082 31.309 0.00 0.00 WAT1 ATOM 5404 OH2 TIP3 1142 20.184 -8.340 33.950 0.00 0.00 WAT1 ATOM 5405 H1 TIP3 1142 20.398 -9.110 34.477 0.00 0.00 WAT1 ATOM 5406 H2 TIP3 1142 20.922 -8.251 33.347 0.00 0.00 WAT1 ATOM 5407 OH2 TIP3 1143 20.877 -10.902 35.071 0.00 0.00 WAT1 ATOM 5408 H1 TIP3 1143 21.531 -11.452 35.503 0.00 0.00 WAT1 ATOM 5409 H2 TIP3 1143 20.901 -11.176 34.155 0.00 0.00 WAT1 ATOM 5410 OH2 TIP3 1144 26.033 -9.352 34.287 0.00 0.00 WAT1 ATOM 5411 H1 TIP3 1144 26.649 -9.878 34.796 0.00 0.00 WAT1 ATOM 5412 H2 TIP3 1144 25.447 -9.992 33.883 0.00 0.00 WAT1 ATOM 5413 OH2 TIP3 1145 23.067 -14.381 38.383 0.00 0.00 WAT1 ATOM 5414 H1 TIP3 1145 22.848 -13.851 37.617 0.00 0.00 WAT1 ATOM 5415 H2 TIP3 1145 22.399 -14.154 39.031 0.00 0.00 WAT1 ATOM 5416 OH2 TIP3 1146 30.436 -4.881 31.927 0.00 0.00 WAT1 ATOM 5417 H1 TIP3 1146 30.140 -5.203 31.076 0.00 0.00 WAT1 ATOM 5418 H2 TIP3 1146 30.112 -3.981 31.969 0.00 0.00 WAT1 ATOM 5419 OH2 TIP3 1147 22.661 -12.489 36.336 0.00 0.00 WAT1 ATOM 5420 H1 TIP3 1147 23.274 -11.856 36.709 0.00 0.00 WAT1 ATOM 5421 H2 TIP3 1147 23.173 -12.961 35.679 0.00 0.00 WAT1 ATOM 5422 OH2 TIP3 1148 20.165 -5.070 30.240 0.00 0.00 WAT1 ATOM 5423 H1 TIP3 1148 19.893 -4.841 29.351 0.00 0.00 WAT1 ATOM 5424 H2 TIP3 1148 20.210 -4.232 30.700 0.00 0.00 WAT1 ATOM 5425 OH2 TIP3 1149 27.093 -17.075 35.836 0.00 0.00 WAT1 ATOM 5426 H1 TIP3 1149 26.976 -18.024 35.782 0.00 0.00 WAT1 ATOM 5427 H2 TIP3 1149 26.238 -16.743 36.109 0.00 0.00 WAT1 ATOM 5428 OH2 TIP3 1150 29.360 -8.238 30.336 0.00 0.00 WAT1 ATOM 5429 H1 TIP3 1150 28.648 -7.703 29.985 0.00 0.00 WAT1 ATOM 5430 H2 TIP3 1150 30.051 -8.182 29.676 0.00 0.00 WAT1 ATOM 5431 OH2 TIP3 1151 29.414 -9.780 27.375 0.00 0.00 WAT1 ATOM 5432 H1 TIP3 1151 30.115 -9.758 28.026 0.00 0.00 WAT1 ATOM 5433 H2 TIP3 1151 29.716 -10.408 26.719 0.00 0.00 WAT1 ATOM 5434 OH2 TIP3 1152 24.411 -7.398 33.171 0.00 0.00 WAT1 ATOM 5435 H1 TIP3 1152 24.081 -7.768 32.352 0.00 0.00 WAT1 ATOM 5436 H2 TIP3 1152 24.999 -8.068 33.517 0.00 0.00 WAT1 ATOM 5437 OH2 TIP3 1153 31.637 -8.866 28.973 0.00 0.00 WAT1 ATOM 5438 H1 TIP3 1153 32.216 -8.716 29.720 0.00 0.00 WAT1 ATOM 5439 H2 TIP3 1153 32.051 -8.395 28.250 0.00 0.00 WAT1 ATOM 5440 OH2 TIP3 1154 24.362 -16.172 36.614 0.00 0.00 WAT1 ATOM 5441 H1 TIP3 1154 23.501 -16.259 36.206 0.00 0.00 WAT1 ATOM 5442 H2 TIP3 1154 24.340 -15.316 37.041 0.00 0.00 WAT1 ATOM 5443 OH2 TIP3 1155 28.687 -13.957 27.273 0.00 0.00 WAT1 ATOM 5444 H1 TIP3 1155 28.433 -13.938 28.196 0.00 0.00 WAT1 ATOM 5445 H2 TIP3 1155 28.430 -14.829 26.972 0.00 0.00 WAT1 ATOM 5446 OH2 TIP3 1156 24.453 -11.206 37.709 0.00 0.00 WAT1 ATOM 5447 H1 TIP3 1156 23.811 -11.247 38.418 0.00 0.00 WAT1 ATOM 5448 H2 TIP3 1156 24.490 -10.280 37.471 0.00 0.00 WAT1 ATOM 5449 OH2 TIP3 1157 24.450 -10.985 32.621 0.00 0.00 WAT1 ATOM 5450 H1 TIP3 1157 23.557 -11.326 32.562 0.00 0.00 WAT1 ATOM 5451 H2 TIP3 1157 24.901 -11.362 31.865 0.00 0.00 WAT1 ATOM 5452 OH2 TIP3 1158 29.986 -10.569 31.438 0.00 0.00 WAT1 ATOM 5453 H1 TIP3 1158 29.577 -9.754 31.146 0.00 0.00 WAT1 ATOM 5454 H2 TIP3 1158 30.706 -10.709 30.823 0.00 0.00 WAT1 ATOM 5455 OH2 TIP3 1159 27.032 -13.558 33.707 0.00 0.00 WAT1 ATOM 5456 H1 TIP3 1159 26.121 -13.501 33.996 0.00 0.00 WAT1 ATOM 5457 H2 TIP3 1159 27.537 -13.618 34.518 0.00 0.00 WAT1 ATOM 5458 OH2 TIP3 1160 28.352 -10.770 35.594 0.00 0.00 WAT1 ATOM 5459 H1 TIP3 1160 28.916 -11.317 35.047 0.00 0.00 WAT1 ATOM 5460 H2 TIP3 1160 28.204 -11.292 36.383 0.00 0.00 WAT1 ATOM 5461 OH2 TIP3 1161 31.420 -13.355 27.892 0.00 0.00 WAT1 ATOM 5462 H1 TIP3 1161 30.482 -13.243 27.741 0.00 0.00 WAT1 ATOM 5463 H2 TIP3 1161 31.717 -12.498 28.198 0.00 0.00 WAT1 ATOM 5464 OH2 TIP3 1162 32.138 -11.488 29.553 0.00 0.00 WAT1 ATOM 5465 H1 TIP3 1162 33.030 -11.625 29.872 0.00 0.00 WAT1 ATOM 5466 H2 TIP3 1162 32.195 -10.697 29.016 0.00 0.00 WAT1 ATOM 5467 OH2 TIP3 1163 22.647 -6.874 35.462 0.00 0.00 WAT1 ATOM 5468 H1 TIP3 1163 23.392 -6.876 34.861 0.00 0.00 WAT1 ATOM 5469 H2 TIP3 1163 22.725 -7.698 35.944 0.00 0.00 WAT1 ATOM 5470 OH2 TIP3 1164 29.648 -4.710 28.718 0.00 0.00 WAT1 ATOM 5471 H1 TIP3 1164 29.353 -3.884 29.100 0.00 0.00 WAT1 ATOM 5472 H2 TIP3 1164 28.945 -5.330 28.914 0.00 0.00 WAT1 ATOM 5473 OH2 TIP3 1165 25.022 -3.356 32.867 0.00 0.00 WAT1 ATOM 5474 H1 TIP3 1165 25.549 -2.583 32.666 0.00 0.00 WAT1 ATOM 5475 H2 TIP3 1165 24.142 -3.131 32.565 0.00 0.00 WAT1 ATOM 5476 OH2 TIP3 1166 26.449 -5.693 32.443 0.00 0.00 WAT1 ATOM 5477 H1 TIP3 1166 26.208 -4.768 32.485 0.00 0.00 WAT1 ATOM 5478 H2 TIP3 1166 25.709 -6.152 32.839 0.00 0.00 WAT1 ATOM 5479 OH2 TIP3 1167 21.289 -13.660 40.335 0.00 0.00 WAT1 ATOM 5480 H1 TIP3 1167 20.396 -13.321 40.268 0.00 0.00 WAT1 ATOM 5481 H2 TIP3 1167 21.190 -14.515 40.753 0.00 0.00 WAT1 ATOM 5482 OH2 TIP3 1168 26.802 -3.404 25.980 0.00 0.00 WAT1 ATOM 5483 H1 TIP3 1168 27.041 -4.152 25.432 0.00 0.00 WAT1 ATOM 5484 H2 TIP3 1168 26.533 -3.792 26.812 0.00 0.00 WAT1 ATOM 5485 OH2 TIP3 1169 25.739 -3.834 28.436 0.00 0.00 WAT1 ATOM 5486 H1 TIP3 1169 25.886 -4.354 29.226 0.00 0.00 WAT1 ATOM 5487 H2 TIP3 1169 25.736 -2.927 28.742 0.00 0.00 WAT1 ATOM 5488 OH2 TIP3 1170 30.808 -14.267 30.322 0.00 0.00 WAT1 ATOM 5489 H1 TIP3 1170 31.028 -13.795 29.519 0.00 0.00 WAT1 ATOM 5490 H2 TIP3 1170 31.366 -13.872 30.993 0.00 0.00 WAT1 ATOM 5491 OH2 TIP3 1171 28.477 -2.136 29.185 0.00 0.00 WAT1 ATOM 5492 H1 TIP3 1171 27.660 -1.639 29.238 0.00 0.00 WAT1 ATOM 5493 H2 TIP3 1171 29.006 -1.661 28.545 0.00 0.00 WAT1 ATOM 5494 OH2 TIP3 1172 28.008 -12.539 31.157 0.00 0.00 WAT1 ATOM 5495 H1 TIP3 1172 28.820 -12.035 31.203 0.00 0.00 WAT1 ATOM 5496 H2 TIP3 1172 27.763 -12.684 32.071 0.00 0.00 WAT1 ATOM 5497 OH2 TIP3 1173 28.892 -15.458 32.095 0.00 0.00 WAT1 ATOM 5498 H1 TIP3 1173 28.545 -14.840 32.740 0.00 0.00 WAT1 ATOM 5499 H2 TIP3 1173 29.550 -14.957 31.614 0.00 0.00 WAT1 ATOM 5500 OH2 TIP3 1174 22.808 -3.967 27.843 0.00 0.00 WAT1 ATOM 5501 H1 TIP3 1174 23.400 -3.268 28.119 0.00 0.00 WAT1 ATOM 5502 H2 TIP3 1174 23.267 -4.400 27.124 0.00 0.00 WAT1 ATOM 5503 OH2 TIP3 1175 24.399 -5.814 26.209 0.00 0.00 WAT1 ATOM 5504 H1 TIP3 1175 24.463 -6.608 26.740 0.00 0.00 WAT1 ATOM 5505 H2 TIP3 1175 25.052 -5.933 25.520 0.00 0.00 WAT1 ATOM 5506 OH2 TIP3 1176 29.751 -4.767 25.945 0.00 0.00 WAT1 ATOM 5507 H1 TIP3 1176 29.483 -4.587 26.846 0.00 0.00 WAT1 ATOM 5508 H2 TIP3 1176 29.545 -5.693 25.814 0.00 0.00 WAT1 ATOM 5509 OH2 TIP3 1177 25.589 -14.224 39.446 0.00 0.00 WAT1 ATOM 5510 H1 TIP3 1177 26.125 -13.773 38.794 0.00 0.00 WAT1 ATOM 5511 H2 TIP3 1177 24.737 -14.332 39.024 0.00 0.00 WAT1 ATOM 5512 OH2 TIP3 1178 20.085 -4.272 27.262 0.00 0.00 WAT1 ATOM 5513 H1 TIP3 1178 20.999 -4.193 27.535 0.00 0.00 WAT1 ATOM 5514 H2 TIP3 1178 20.092 -4.959 26.595 0.00 0.00 WAT1 ATOM 5515 OH2 TIP3 1179 18.807 -11.141 36.696 0.00 0.00 WAT1 ATOM 5516 H1 TIP3 1179 19.299 -11.362 35.906 0.00 0.00 WAT1 ATOM 5517 H2 TIP3 1179 19.169 -10.300 36.977 0.00 0.00 WAT1 ATOM 5518 OH2 TIP3 1180 19.084 -16.145 39.095 0.00 0.00 WAT1 ATOM 5519 H1 TIP3 1180 18.419 -16.391 39.738 0.00 0.00 WAT1 ATOM 5520 H2 TIP3 1180 18.641 -15.523 38.518 0.00 0.00 WAT1 ATOM 5521 OH2 TIP3 1181 26.140 -16.711 32.739 0.00 0.00 WAT1 ATOM 5522 H1 TIP3 1181 27.014 -16.323 32.709 0.00 0.00 WAT1 ATOM 5523 H2 TIP3 1181 26.004 -16.926 33.662 0.00 0.00 WAT1 ATOM 5524 OH2 TIP3 1182 27.284 -14.631 29.629 0.00 0.00 WAT1 ATOM 5525 H1 TIP3 1182 27.462 -15.277 30.312 0.00 0.00 WAT1 ATOM 5526 H2 TIP3 1182 27.230 -13.797 30.096 0.00 0.00 WAT1 ATOM 5527 OH2 TIP3 1183 21.518 2.732 4.731 0.00 0.00 WAT1 ATOM 5528 H1 TIP3 1183 21.152 1.967 5.174 0.00 0.00 WAT1 ATOM 5529 H2 TIP3 1183 22.431 2.761 5.018 0.00 0.00 WAT1 ATOM 5530 OH2 TIP3 1184 23.491 2.083 6.267 0.00 0.00 WAT1 ATOM 5531 H1 TIP3 1184 24.390 1.809 6.082 0.00 0.00 WAT1 ATOM 5532 H2 TIP3 1184 23.105 1.340 6.731 0.00 0.00 WAT1 ATOM 5533 OH2 TIP3 1185 20.086 5.832 9.994 0.00 0.00 WAT1 ATOM 5534 H1 TIP3 1185 20.560 6.423 9.409 0.00 0.00 WAT1 ATOM 5535 H2 TIP3 1185 19.368 6.363 10.341 0.00 0.00 WAT1 ATOM 5536 OH2 TIP3 1186 19.120 3.973 11.895 0.00 0.00 WAT1 ATOM 5537 H1 TIP3 1186 18.195 4.182 11.765 0.00 0.00 WAT1 ATOM 5538 H2 TIP3 1186 19.574 4.457 11.205 0.00 0.00 WAT1 ATOM 5539 OH2 TIP3 1187 21.560 2.218 14.070 0.00 0.00 WAT1 ATOM 5540 H1 TIP3 1187 20.783 1.984 13.562 0.00 0.00 WAT1 ATOM 5541 H2 TIP3 1187 22.091 1.421 14.078 0.00 0.00 WAT1 ATOM 5542 OH2 TIP3 1188 20.397 2.016 9.873 0.00 0.00 WAT1 ATOM 5543 H1 TIP3 1188 20.836 2.627 9.282 0.00 0.00 WAT1 ATOM 5544 H2 TIP3 1188 19.763 2.554 10.347 0.00 0.00 WAT1 ATOM 5545 OH2 TIP3 1189 22.258 3.932 8.316 0.00 0.00 WAT1 ATOM 5546 H1 TIP3 1189 22.749 3.302 7.788 0.00 0.00 WAT1 ATOM 5547 H2 TIP3 1189 22.881 4.228 8.979 0.00 0.00 WAT1 END