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 14:06:19 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 17.780 -24.456 -7.125 1.00 55.50 ATOM 2 CB MET 1 19.686 -25.413 -7.341 1.00 14.11 ATOM 3 HB1 MET 1 20.036 -26.423 -7.518 1.00 37.19 ATOM 4 HB2 MET 1 20.242 -25.010 -6.503 1.00 64.02 ATOM 5 CG MET 1 19.992 -24.587 -8.579 1.00 45.33 ATOM 6 HG1 MET 1 19.174 -24.674 -9.282 1.00 37.19 ATOM 7 HG2 MET 1 20.889 -24.977 -9.037 1.00 1.12 ATOM 8 SD MET 1 20.246 -22.841 -8.205 1.00 33.23 ATOM 9 CE MET 1 21.986 -22.835 -7.782 1.00 42.31 ATOM 10 HE1 MET 1 22.154 -23.491 -6.941 1.00 21.34 ATOM 11 HE2 MET 1 22.290 -21.832 -7.523 1.00 15.31 ATOM 12 HE3 MET 1 22.563 -23.179 -8.628 1.00 10.00 ATOM 13 C MET 1 17.466 -26.436 -7.876 1.00 22.11 ATOM 14 O MET 1 17.936 -27.551 -8.098 1.00 63.04 ATOM 15 N MET 1 18.028 -25.789 -5.573 1.00 13.04 ATOM 16 HT1 MET 1 18.518 -25.095 -4.968 1.00 37.19 ATOM 17 HT2 MET 1 18.416 -26.738 -5.373 1.00 37.19 ATOM 18 HT3 MET 1 17.016 -25.784 -5.321 1.00 37.19 ATOM 19 CA MET 1 18.199 -25.444 -6.979 1.00 44.30 ATOM 20 N GLY 2 16.311 -26.023 -8.388 1.00 50.23 ATOM 21 HN GLY 2 15.983 -25.115 -8.182 1.00 37.19 ATOM 22 CA GLY 2 15.532 -26.888 -9.254 1.00 52.05 ATOM 23 HA1 GLY 2 15.490 -27.882 -8.822 1.00 37.19 ATOM 24 HA2 GLY 2 16.025 -26.948 -10.214 1.00 33.34 ATOM 25 C GLY 2 14.120 -26.378 -9.465 1.00 71.20 ATOM 26 O GLY 2 13.917 -25.211 -9.802 1.00 21.14 ATOM 27 N HIS 3 13.140 -27.255 -9.268 1.00 42.12 ATOM 28 HN HIS 3 13.353 -28.177 -8.994 1.00 37.19 ATOM 29 CA HIS 3 11.739 -26.887 -9.440 1.00 22.02 ATOM 30 HA HIS 3 11.687 -25.867 -9.812 1.00 43.11 ATOM 31 CB HIS 3 11.070 -27.806 -10.462 1.00 62.30 ATOM 32 HB1 HIS 3 10.838 -28.760 -10.006 1.00 37.19 ATOM 33 HB2 HIS 3 11.753 -27.970 -11.284 1.00 34.13 ATOM 34 CG HIS 3 9.805 -27.246 -11.034 1.00 15.32 ATOM 35 ND1 HIS 3 9.694 -26.816 -12.339 1.00 71.35 ATOM 36 HD1 HIS 3 10.409 -26.830 -13.009 1.00 12.30 ATOM 37 CD2 HIS 3 8.590 -27.047 -10.470 1.00 3.33 ATOM 38 HD2 HIS 3 8.312 -27.273 -9.450 1.00 32.45 ATOM 39 CE1 HIS 3 8.467 -26.376 -12.553 1.00 50.13 ATOM 40 HE1 HIS 3 8.092 -25.979 -13.485 1.00 61.31 ATOM 41 NE2 HIS 3 7.777 -26.505 -11.435 1.00 31.24 ATOM 42 HE2 HIS 3 6.868 -26.168 -11.290 1.00 37.19 ATOM 43 C HIS 3 10.993 -26.956 -8.111 1.00 12.11 ATOM 44 O HIS 3 10.617 -28.036 -7.653 1.00 44.32 ATOM 45 N HIS 4 10.781 -25.797 -7.496 1.00 5.34 ATOM 46 HN HIS 4 11.111 -24.963 -7.909 1.00 37.19 ATOM 47 CA HIS 4 10.080 -25.726 -6.219 1.00 11.33 ATOM 48 HA HIS 4 9.134 -26.241 -6.322 1.00 2.40 ATOM 49 CB HIS 4 10.900 -26.409 -5.124 1.00 13.23 ATOM 50 HB1 HIS 4 11.228 -27.379 -5.460 1.00 37.19 ATOM 51 HB2 HIS 4 10.274 -26.536 -4.252 1.00 60.43 ATOM 52 CG HIS 4 12.111 -25.632 -4.710 1.00 5.01 ATOM 53 ND1 HIS 4 13.022 -25.121 -5.611 1.00 14.21 ATOM 54 HD1 HIS 4 12.988 -25.219 -6.582 1.00 62.22 ATOM 55 CD2 HIS 4 12.560 -25.278 -3.483 1.00 30.42 ATOM 56 HD2 HIS 4 12.091 -25.511 -2.537 1.00 32.45 ATOM 57 CE1 HIS 4 13.978 -24.488 -4.956 1.00 4.12 ATOM 58 HE1 HIS 4 14.825 -23.988 -5.402 1.00 1.12 ATOM 59 NE2 HIS 4 13.722 -24.568 -3.663 1.00 35.43 ATOM 60 HE2 HIS 4 14.323 -24.269 -2.949 1.00 37.19 ATOM 61 C HIS 4 9.801 -24.276 -5.832 1.00 74.42 ATOM 62 O HIS 4 10.238 -23.347 -6.511 1.00 0.30 ATOM 63 N HIS 5 9.069 -24.091 -4.738 1.00 73.31 ATOM 64 HN HIS 5 8.740 -24.869 -4.232 1.00 37.19 ATOM 65 CA HIS 5 8.731 -22.755 -4.261 1.00 53.24 ATOM 66 HA HIS 5 9.194 -22.015 -4.902 1.00 3.50 ATOM 67 CB HIS 5 7.217 -22.544 -4.301 1.00 51.11 ATOM 68 HB1 HIS 5 6.864 -22.744 -5.302 1.00 37.19 ATOM 69 HB2 HIS 5 6.987 -21.521 -4.046 1.00 75.02 ATOM 70 CG HIS 5 6.463 -23.437 -3.364 1.00 50.51 ATOM 71 ND1 HIS 5 6.025 -24.696 -3.714 1.00 31.42 ATOM 72 HD1 HIS 5 6.156 -25.126 -4.585 1.00 71.24 ATOM 73 CD2 HIS 5 6.071 -23.246 -2.083 1.00 4.15 ATOM 74 HD2 HIS 5 6.246 -22.363 -1.484 1.00 42.24 ATOM 75 CE1 HIS 5 5.395 -25.241 -2.689 1.00 31.45 ATOM 76 HE1 HIS 5 4.945 -26.223 -2.673 1.00 11.31 ATOM 77 NE2 HIS 5 5.410 -24.382 -1.686 1.00 14.22 ATOM 78 HE2 HIS 5 5.098 -24.571 -0.776 1.00 37.19 ATOM 79 C HIS 5 9.250 -22.536 -2.843 1.00 73.44 ATOM 80 O HIS 5 9.869 -23.423 -2.254 1.00 73.24 ATOM 81 N HIS 6 8.994 -21.350 -2.301 1.00 31.11 ATOM 82 HN HIS 6 8.501 -20.673 -2.821 1.00 37.19 ATOM 83 CA HIS 6 9.436 -21.015 -0.952 1.00 35.23 ATOM 84 HA HIS 6 10.436 -21.421 -0.819 1.00 24.43 ATOM 85 CB HIS 6 9.491 -19.498 -0.772 1.00 42.24 ATOM 86 HB1 HIS 6 8.535 -19.119 -0.436 1.00 37.19 ATOM 87 HB2 HIS 6 9.729 -19.040 -1.723 1.00 21.21 ATOM 88 CG HIS 6 10.534 -19.048 0.203 1.00 4.15 ATOM 89 ND1 HIS 6 11.129 -17.805 0.150 1.00 14.31 ATOM 90 HD1 HIS 6 10.939 -17.107 -0.511 1.00 55.43 ATOM 91 CD2 HIS 6 11.088 -19.683 1.263 1.00 13.53 ATOM 92 HD2 HIS 6 10.857 -20.682 1.604 1.00 62.01 ATOM 93 CE1 HIS 6 12.004 -17.695 1.134 1.00 54.23 ATOM 94 HE1 HIS 6 12.618 -16.831 1.340 1.00 12.42 ATOM 95 NE2 HIS 6 11.998 -18.821 1.824 1.00 13.44 ATOM 96 HE2 HIS 6 12.617 -19.041 2.551 1.00 37.19 ATOM 97 C HIS 6 8.507 -21.629 0.092 1.00 50.11 ATOM 98 O HIS 6 7.436 -21.093 0.377 1.00 53.52 ATOM 99 N HIS 7 8.924 -22.757 0.658 1.00 4.34 ATOM 100 HN HIS 7 9.783 -23.127 0.392 1.00 37.19 ATOM 101 CA HIS 7 8.130 -23.444 1.670 1.00 12.45 ATOM 102 HA HIS 7 7.172 -22.949 1.774 1.00 24.10 ATOM 103 CB HIS 7 7.876 -24.893 1.253 1.00 2.54 ATOM 104 HB1 HIS 7 7.502 -24.908 0.240 1.00 37.19 ATOM 105 HB2 HIS 7 7.136 -25.324 1.910 1.00 53.33 ATOM 106 CG HIS 7 9.100 -25.754 1.306 1.00 3.03 ATOM 107 ND1 HIS 7 9.200 -26.871 2.108 1.00 20.40 ATOM 108 HD1 HIS 7 8.504 -27.208 2.710 1.00 30.24 ATOM 109 CD2 HIS 7 10.280 -25.658 0.649 1.00 12.44 ATOM 110 HD2 HIS 7 10.549 -24.918 -0.088 1.00 61.21 ATOM 111 CE1 HIS 7 10.389 -27.424 1.943 1.00 34.14 ATOM 112 HE1 HIS 7 10.748 -28.312 2.442 1.00 60.34 ATOM 113 NE2 HIS 7 11.063 -26.707 1.063 1.00 42.11 ATOM 114 HE2 HIS 7 11.938 -26.946 0.691 1.00 37.19 ATOM 115 C HIS 7 8.828 -23.407 3.027 1.00 40.15 ATOM 116 O HIS 7 8.181 -23.480 4.072 1.00 71.13 ATOM 117 N HIS 8 10.152 -23.294 3.002 1.00 3.11 ATOM 118 HN HIS 8 10.632 -23.246 2.150 1.00 37.19 ATOM 119 CA HIS 8 10.938 -23.248 4.230 1.00 44.21 ATOM 120 HA HIS 8 10.313 -23.605 5.037 1.00 42.34 ATOM 121 CB HIS 8 12.166 -24.151 4.109 1.00 71.32 ATOM 122 HB1 HIS 8 12.998 -23.604 3.684 1.00 37.19 ATOM 123 HB2 HIS 8 11.930 -24.981 3.458 1.00 70.01 ATOM 124 CG HIS 8 12.614 -24.731 5.415 1.00 2.20 ATOM 125 ND1 HIS 8 13.901 -25.174 5.640 1.00 55.21 ATOM 126 HD1 HIS 8 14.634 -25.158 4.990 1.00 71.35 ATOM 127 CD2 HIS 8 11.939 -24.937 6.570 1.00 25.31 ATOM 128 HD2 HIS 8 10.900 -24.709 6.758 1.00 0.34 ATOM 129 CE1 HIS 8 13.997 -25.629 6.876 1.00 22.31 ATOM 130 HE1 HIS 8 14.887 -26.038 7.331 1.00 1.21 ATOM 131 NE2 HIS 8 12.821 -25.497 7.462 1.00 10.42 ATOM 132 HE2 HIS 8 12.639 -25.670 8.409 1.00 37.19 ATOM 133 C HIS 8 11.373 -21.819 4.544 1.00 75.23 ATOM 134 O HIS 8 12.279 -21.282 3.907 1.00 11.44 ATOM 135 N SER 9 10.719 -21.210 5.528 1.00 41.22 ATOM 136 HN SER 9 9.992 -21.686 5.996 1.00 37.19 ATOM 137 CA SER 9 11.035 -19.842 5.923 1.00 55.03 ATOM 138 HA SER 9 12.107 -19.700 5.830 1.00 53.23 ATOM 139 CB SER 9 10.332 -18.847 4.997 1.00 45.40 ATOM 140 HB1 SER 9 10.822 -18.853 4.040 1.00 37.19 ATOM 141 HB2 SER 9 10.381 -17.849 5.414 1.00 43.12 ATOM 142 OG SER 9 8.973 -19.198 4.807 1.00 32.13 ATOM 143 HG SER 9 8.511 -18.473 4.380 1.00 51.54 ATOM 144 C SER 9 10.623 -19.586 7.369 1.00 2.34 ATOM 145 O SER 9 9.440 -19.632 7.708 1.00 1.21 ATOM 146 N HIS 10 11.609 -19.315 8.219 1.00 31.53 ATOM 147 HN HIS 10 12.540 -19.295 7.891 1.00 37.19 ATOM 148 CA HIS 10 11.351 -19.051 9.630 1.00 13.03 ATOM 149 HA HIS 10 10.643 -18.233 9.690 1.00 22.24 ATOM 150 CB HIS 10 10.735 -20.281 10.297 1.00 32.32 ATOM 151 HB1 HIS 10 9.812 -20.539 9.807 1.00 37.19 ATOM 152 HB2 HIS 10 10.524 -20.052 11.333 1.00 41.33 ATOM 153 CG HIS 10 11.624 -21.486 10.268 1.00 32.34 ATOM 154 ND1 HIS 10 11.999 -22.172 11.404 1.00 4.34 ATOM 155 HD1 HIS 10 11.733 -21.950 12.321 1.00 63.22 ATOM 156 CD2 HIS 10 12.211 -22.129 9.232 1.00 50.32 ATOM 157 HD2 HIS 10 12.132 -21.866 8.187 1.00 12.43 ATOM 158 CE1 HIS 10 12.780 -23.183 11.068 1.00 5.40 ATOM 159 HE1 HIS 10 13.224 -23.893 11.750 1.00 54.24 ATOM 160 NE2 HIS 10 12.924 -23.179 9.755 1.00 22.10 ATOM 161 HE2 HIS 10 13.548 -23.746 9.255 1.00 37.19 ATOM 162 C HIS 10 12.635 -18.655 10.353 1.00 61.53 ATOM 163 O HIS 10 13.652 -19.340 10.250 1.00 63.23 ATOM 164 N MET 11 12.580 -17.546 11.083 1.00 61.33 ATOM 165 HN MET 11 11.719 -17.074 11.170 1.00 37.19 ATOM 166 CA MET 11 13.739 -17.060 11.822 1.00 22.54 ATOM 167 HA MET 11 14.613 -17.150 11.188 1.00 30.23 ATOM 168 CB MET 11 13.555 -15.587 12.191 1.00 42.05 ATOM 169 HB1 MET 11 14.504 -15.187 12.515 1.00 37.19 ATOM 170 HB2 MET 11 12.843 -15.511 13.005 1.00 41.32 ATOM 171 CG MET 11 13.050 -14.732 11.040 1.00 14.31 ATOM 172 HG1 MET 11 12.112 -15.128 10.685 1.00 37.19 ATOM 173 HG2 MET 11 13.775 -14.772 10.242 1.00 34.03 ATOM 174 SD MET 11 12.784 -13.013 11.517 1.00 73.22 ATOM 175 CE MET 11 13.589 -12.158 10.164 1.00 31.34 ATOM 176 HE1 MET 11 13.118 -12.434 9.232 1.00 70.32 ATOM 177 HE2 MET 11 14.633 -12.433 10.135 1.00 72.23 ATOM 178 HE3 MET 11 13.502 -11.091 10.309 1.00 52.11 ATOM 179 C MET 11 13.965 -17.888 13.084 1.00 13.41 ATOM 180 O MET 11 13.290 -18.891 13.308 1.00 33.31 ATOM 181 N ASN 12 14.918 -17.459 13.905 1.00 64.03 ATOM 182 HN ASN 12 15.453 -16.668 13.662 1.00 37.19 ATOM 183 CA ASN 12 15.233 -18.161 15.144 1.00 61.24 ATOM 184 HA ASN 12 15.634 -19.131 14.873 1.00 4.34 ATOM 185 CB ASN 12 16.293 -17.392 15.935 1.00 60.21 ATOM 186 HB1 ASN 12 15.858 -16.489 16.344 1.00 37.19 ATOM 187 HB2 ASN 12 17.096 -17.121 15.263 1.00 3.04 ATOM 188 CG ASN 12 16.868 -18.209 17.076 1.00 65.13 ATOM 189 OD1 ASN 12 16.146 -18.930 17.764 1.00 12.21 ATOM 190 ND2 ASN 12 18.176 -18.099 17.281 1.00 31.40 ATOM 191 HD21 ASN 12 18.702 -17.502 16.703 1.00 10.13 ATOM 192 HD22 ASN 12 18.574 -18.635 17.992 1.00 43.04 ATOM 193 C ASN 12 13.982 -18.348 15.996 1.00 14.41 ATOM 194 O ASN 12 13.418 -17.381 16.510 1.00 64.12 ATOM 195 N SER 13 13.553 -19.597 16.142 1.00 34.15 ATOM 196 HN SER 13 14.055 -20.336 15.721 1.00 37.19 ATOM 197 CA SER 13 12.366 -19.911 16.930 1.00 1.40 ATOM 198 HA SER 13 11.664 -19.089 16.842 1.00 63.51 ATOM 199 CB SER 13 11.697 -21.180 16.400 1.00 61.30 ATOM 200 HB1 SER 13 12.036 -22.039 16.950 1.00 37.19 ATOM 201 HB2 SER 13 11.940 -21.310 15.354 1.00 1.14 ATOM 202 OG SER 13 10.288 -21.105 16.527 1.00 32.32 ATOM 203 HG SER 13 9.871 -21.618 15.830 1.00 42.53 ATOM 204 C SER 13 12.723 -20.087 18.403 1.00 53.01 ATOM 205 O SER 13 11.927 -19.772 19.287 1.00 4.44 ATOM 206 N ALA 14 13.925 -20.594 18.658 1.00 53.54 ATOM 207 HN ALA 14 14.515 -20.852 17.912 1.00 37.19 ATOM 208 CA ALA 14 14.389 -20.811 20.022 1.00 13.52 ATOM 209 HA ALA 14 13.746 -21.545 20.467 1.00 33.15 ATOM 210 CB ALA 14 15.810 -21.353 20.016 1.00 4.44 ATOM 211 HB1 ALA 14 16.199 -21.361 21.014 1.00 11.20 ATOM 212 HB2 ALA 14 16.432 -20.727 19.397 1.00 21.33 ATOM 213 HB3 ALA 14 15.810 -22.357 19.623 1.00 23.42 ATOM 214 C ALA 14 14.314 -19.525 20.838 1.00 3.44 ATOM 215 O ALA 14 14.105 -19.560 22.050 1.00 1.25 ATOM 216 N GLU 15 14.488 -18.391 20.166 1.00 73.13 ATOM 217 HN GLU 15 14.693 -18.418 19.203 1.00 37.19 ATOM 218 CA GLU 15 14.441 -17.094 20.831 1.00 64.23 ATOM 219 HA GLU 15 15.219 -17.076 21.584 1.00 43.25 ATOM 220 CB GLU 15 14.683 -15.970 19.821 1.00 10.24 ATOM 221 HB1 GLU 15 14.139 -15.089 20.141 1.00 37.19 ATOM 222 HB2 GLU 15 14.304 -16.274 18.854 1.00 12.43 ATOM 223 CG GLU 15 16.148 -15.603 19.659 1.00 44.55 ATOM 224 HG1 GLU 15 16.602 -16.271 18.949 1.00 37.19 ATOM 225 HG2 GLU 15 16.644 -15.697 20.614 1.00 30.45 ATOM 226 CD GLU 15 16.343 -14.177 19.180 1.00 53.10 ATOM 227 OE1 GLU 15 15.542 -13.304 19.576 1.00 34.40 ATOM 228 OE2 GLU 15 17.295 -13.934 18.410 1.00 50.52 ATOM 229 C GLU 15 13.100 -16.888 21.527 1.00 14.43 ATOM 230 O GLU 15 13.049 -16.543 22.708 1.00 73.23 ATOM 231 N GLN 16 12.016 -17.100 20.787 1.00 23.11 ATOM 232 HN GLN 16 12.123 -17.379 19.846 1.00 37.19 ATOM 233 CA GLN 16 10.674 -16.936 21.333 1.00 3.12 ATOM 234 HA GLN 16 10.644 -16.010 21.895 1.00 51.03 ATOM 235 CB GLN 16 9.647 -16.853 20.203 1.00 64.35 ATOM 236 HB1 GLN 16 9.930 -16.051 19.537 1.00 37.19 ATOM 237 HB2 GLN 16 8.680 -16.625 20.633 1.00 14.12 ATOM 238 CG GLN 16 9.536 -18.132 19.387 1.00 0.53 ATOM 239 HG1 GLN 16 9.594 -18.998 20.022 1.00 37.19 ATOM 240 HG2 GLN 16 10.354 -18.149 18.687 1.00 23.24 ATOM 241 CD GLN 16 8.250 -18.203 18.587 1.00 24.31 ATOM 242 OE1 GLN 16 8.007 -17.377 17.707 1.00 35.30 ATOM 243 NE2 GLN 16 7.419 -19.194 18.889 1.00 65.11 ATOM 244 HE21 GLN 16 7.662 -19.827 19.601 1.00 62.12 ATOM 245 HE22 GLN 16 6.583 -19.256 18.382 1.00 0.22 ATOM 246 C GLN 16 10.324 -18.086 22.271 1.00 31.14 ATOM 247 O GLN 16 9.492 -17.940 23.168 1.00 51.34 ATOM 248 N THR 17 10.964 -19.232 22.060 1.00 73.14 ATOM 249 HN THR 17 11.609 -19.305 21.321 1.00 37.19 ATOM 250 CA THR 17 10.719 -20.408 22.885 1.00 73.11 ATOM 251 HA THR 17 9.648 -20.562 22.951 1.00 42.24 ATOM 252 CB THR 17 11.345 -21.671 22.263 1.00 13.25 ATOM 253 HB THR 17 12.395 -21.508 22.158 1.00 41.11 ATOM 254 OG1 THR 17 10.782 -21.910 20.969 1.00 62.04 ATOM 255 HG1 THR 17 11.192 -21.329 20.326 1.00 54.33 ATOM 256 CG2 THR 17 11.115 -22.883 23.154 1.00 52.14 ATOM 257 HG21 THR 17 11.349 -23.776 22.597 1.00 61.00 ATOM 258 HG22 THR 17 10.081 -22.922 23.470 1.00 5.41 ATOM 259 HG23 THR 17 11.755 -22.830 24.020 1.00 22.30 ATOM 260 C THR 17 11.275 -20.218 24.291 1.00 21.34 ATOM 261 O THR 17 10.618 -20.547 25.279 1.00 2.14 ATOM 262 N VAL 18 12.490 -19.685 24.375 1.00 20.43 ATOM 263 HN VAL 18 12.965 -19.436 23.548 1.00 37.19 ATOM 264 CA VAL 18 13.134 -19.450 25.662 1.00 64.01 ATOM 265 HA VAL 18 13.242 -20.404 26.164 1.00 45.51 ATOM 266 CB VAL 18 14.535 -18.834 25.484 1.00 71.32 ATOM 267 HB VAL 18 14.432 -17.888 24.969 1.00 42.22 ATOM 268 CG1 VAL 18 15.178 -18.571 26.837 1.00 45.24 ATOM 269 HG11 VAL 18 16.231 -18.353 26.706 1.00 42.25 ATOM 270 HG12 VAL 18 15.073 -19.438 27.475 1.00 14.55 ATOM 271 HG13 VAL 18 14.706 -17.723 27.303 1.00 43.10 ATOM 272 CG2 VAL 18 15.412 -19.742 24.635 1.00 73.41 ATOM 273 HG21 VAL 18 15.953 -19.139 23.924 1.00 60.24 ATOM 274 HG22 VAL 18 14.818 -20.463 24.105 1.00 34.30 ATOM 275 HG23 VAL 18 16.123 -20.271 25.257 1.00 25.01 ATOM 276 C VAL 18 12.293 -18.528 26.537 1.00 3.22 ATOM 277 O VAL 18 11.981 -18.854 27.683 1.00 73.43 ATOM 278 N THR 19 11.928 -17.372 25.990 1.00 22.23 ATOM 279 HN THR 19 12.205 -17.167 25.065 1.00 37.19 ATOM 280 CA THR 19 11.124 -16.401 26.721 1.00 75.31 ATOM 281 HA THR 19 11.631 -16.167 27.648 1.00 20.13 ATOM 282 CB THR 19 10.960 -15.094 25.923 1.00 13.34 ATOM 283 HB THR 19 10.467 -15.317 24.986 1.00 74.44 ATOM 284 OG1 THR 19 12.244 -14.524 25.648 1.00 1.42 ATOM 285 HG1 THR 19 12.639 -14.968 24.893 1.00 34.33 ATOM 286 CG2 THR 19 10.110 -14.094 26.692 1.00 14.34 ATOM 287 HG21 THR 19 10.441 -14.037 27.721 1.00 53.11 ATOM 288 HG22 THR 19 9.073 -14.393 26.661 1.00 13.23 ATOM 289 HG23 THR 19 10.210 -13.121 26.235 1.00 45.21 ATOM 290 C THR 19 9.743 -16.963 27.044 1.00 45.44 ATOM 291 O THR 19 9.134 -16.598 28.049 1.00 5.42 ATOM 292 N TRP 20 9.256 -17.852 26.186 1.00 44.54 ATOM 293 HN TRP 20 9.777 -18.098 25.387 1.00 37.19 ATOM 294 CA TRP 20 7.947 -18.464 26.381 1.00 41.02 ATOM 295 HA TRP 20 7.213 -17.674 26.453 1.00 13.02 ATOM 296 CB TRP 20 7.593 -19.351 25.186 1.00 22.33 ATOM 297 HB1 TRP 20 8.353 -20.101 25.059 1.00 37.19 ATOM 298 HB2 TRP 20 7.543 -18.741 24.300 1.00 61.13 ATOM 299 CG TRP 20 6.271 -20.043 25.331 1.00 4.11 ATOM 300 CD1 TRP 20 5.106 -19.496 25.788 1.00 62.41 ATOM 301 HD1 TRP 20 4.999 -18.470 26.108 1.00 70.11 ATOM 302 CD2 TRP 20 5.981 -21.410 25.019 1.00 14.42 ATOM 303 NE1 TRP 20 4.108 -20.441 25.779 1.00 65.21 ATOM 304 HE1 TRP 20 3.181 -20.292 26.061 1.00 3.24 ATOM 305 CE2 TRP 20 4.619 -21.623 25.311 1.00 40.13 ATOM 306 CE3 TRP 20 6.737 -22.473 24.520 1.00 20.41 ATOM 307 HE3 TRP 20 7.784 -22.351 24.284 1.00 51.20 ATOM 308 CZ2 TRP 20 4.002 -22.856 25.120 1.00 34.22 ATOM 309 HZ2 TRP 20 2.962 -23.005 25.340 1.00 33.21 ATOM 310 CZ3 TRP 20 6.123 -23.697 24.332 1.00 52.10 ATOM 311 HZ3 TRP 20 6.691 -24.530 23.949 1.00 53.24 ATOM 312 CH2 TRP 20 4.766 -23.880 24.631 1.00 61.14 ATOM 313 HH2 TRP 20 4.342 -24.836 24.470 1.00 1.22 ATOM 314 C TRP 20 7.916 -19.284 27.666 1.00 53.21 ATOM 315 O TRP 20 6.980 -19.177 28.460 1.00 52.14 ATOM 316 N LEU 21 8.943 -20.102 27.866 1.00 41.22 ATOM 317 HN LEU 21 9.664 -20.148 27.193 1.00 37.19 ATOM 318 CA LEU 21 9.033 -20.940 29.056 1.00 21.32 ATOM 319 HA LEU 21 8.108 -21.488 29.158 1.00 43.22 ATOM 320 CB LEU 21 10.189 -21.933 28.919 1.00 42.41 ATOM 321 HB1 LEU 21 10.260 -22.498 29.840 1.00 37.19 ATOM 322 HB2 LEU 21 11.103 -21.366 28.796 1.00 23.54 ATOM 323 CG LEU 21 10.084 -22.930 27.764 1.00 4.52 ATOM 324 HG LEU 21 10.020 -22.387 26.833 1.00 72.51 ATOM 325 CD1 LEU 21 11.321 -23.813 27.708 1.00 41.22 ATOM 326 HD11 LEU 21 12.200 -23.197 27.581 1.00 71.45 ATOM 327 HD12 LEU 21 11.242 -24.495 26.873 1.00 74.51 ATOM 328 HD13 LEU 21 11.409 -24.378 28.626 1.00 33.44 ATOM 329 CD2 LEU 21 8.828 -23.776 27.903 1.00 32.42 ATOM 330 HD21 LEU 21 8.828 -24.281 28.859 1.00 71.44 ATOM 331 HD22 LEU 21 8.811 -24.508 27.112 1.00 75.14 ATOM 332 HD23 LEU 21 7.953 -23.150 27.824 1.00 31.10 ATOM 333 C LEU 21 9.224 -20.090 30.308 1.00 12.01 ATOM 334 O LEU 21 8.847 -20.495 31.408 1.00 3.24 ATOM 335 N ILE 22 9.808 -18.910 30.132 1.00 4.11 ATOM 336 HN ILE 22 10.103 -18.635 29.234 1.00 37.19 ATOM 337 CA ILE 22 10.045 -18.001 31.247 1.00 25.50 ATOM 338 HA ILE 22 10.367 -18.579 32.098 1.00 11.11 ATOM 339 CB ILE 22 11.146 -16.977 30.914 1.00 1.12 ATOM 340 HB ILE 22 10.812 -16.387 30.069 1.00 75.41 ATOM 341 CG1 ILE 22 12.447 -17.694 30.549 1.00 24.12 ATOM 342 HG11 ILE 22 12.237 -18.579 29.974 1.00 37.19 ATOM 343 HG12 ILE 22 12.965 -17.989 31.452 1.00 32.22 ATOM 344 CG2 ILE 22 11.365 -16.035 32.089 1.00 45.14 ATOM 345 HG21 ILE 22 12.101 -15.302 31.821 1.00 42.05 ATOM 346 HG22 ILE 22 11.710 -16.592 32.947 1.00 25.55 ATOM 347 HG23 ILE 22 10.448 -15.523 32.340 1.00 21.24 ATOM 348 CD1 ILE 22 13.399 -16.844 29.737 1.00 52.41 ATOM 349 HD11 ILE 22 13.202 -15.795 29.897 1.00 25.25 ATOM 350 HD12 ILE 22 13.271 -17.068 28.695 1.00 22.12 ATOM 351 HD13 ILE 22 14.411 -17.066 30.022 1.00 73.12 ATOM 352 C ILE 22 8.771 -17.256 31.629 1.00 3.02 ATOM 353 O ILE 22 8.344 -17.284 32.784 1.00 23.00 ATOM 354 N THR 23 8.166 -16.590 30.651 1.00 52.21 ATOM 355 HN THR 23 8.556 -16.604 29.746 1.00 37.19 ATOM 356 CA THR 23 6.940 -15.837 30.884 1.00 73.03 ATOM 357 HA THR 23 7.157 -15.050 31.593 1.00 72.22 ATOM 358 CB THR 23 6.425 -15.186 29.586 1.00 43.00 ATOM 359 HB THR 23 7.229 -14.613 29.145 1.00 54.51 ATOM 360 OG1 THR 23 5.331 -14.309 29.878 1.00 62.51 ATOM 361 HG1 THR 23 5.668 -13.469 30.200 1.00 1.43 ATOM 362 CG2 THR 23 5.981 -16.245 28.588 1.00 31.15 ATOM 363 HG21 THR 23 5.746 -15.768 27.648 1.00 3.23 ATOM 364 HG22 THR 23 5.104 -16.759 28.951 1.00 61.24 ATOM 365 HG23 THR 23 6.774 -16.943 28.438 1.00 23.21 ATOM 366 C THR 23 5.847 -16.731 31.458 1.00 14.35 ATOM 367 O THR 23 4.934 -16.255 32.136 1.00 70.45 ATOM 368 N LEU 24 5.945 -18.027 31.186 1.00 74.04 ATOM 369 HN LEU 24 6.663 -18.356 30.601 1.00 37.19 ATOM 370 CA LEU 24 4.964 -18.989 31.677 1.00 55.52 ATOM 371 HA LEU 24 3.979 -18.550 31.582 1.00 24.51 ATOM 372 CB LEU 24 5.020 -20.273 30.849 1.00 65.35 ATOM 373 HB1 LEU 24 4.642 -21.096 31.448 1.00 37.19 ATOM 374 HB2 LEU 24 6.062 -20.477 30.631 1.00 60.22 ATOM 375 CG LEU 24 4.246 -20.257 29.530 1.00 11.02 ATOM 376 HG LEU 24 4.467 -19.342 28.999 1.00 25.22 ATOM 377 CD1 LEU 24 4.669 -21.421 28.648 1.00 61.10 ATOM 378 HD11 LEU 24 3.868 -21.699 27.976 1.00 65.44 ATOM 379 HD12 LEU 24 4.922 -22.265 29.267 1.00 64.14 ATOM 380 HD13 LEU 24 5.534 -21.134 28.070 1.00 30.33 ATOM 381 CD2 LEU 24 2.747 -20.301 29.792 1.00 44.44 ATOM 382 HD21 LEU 24 2.215 -20.258 28.852 1.00 72.40 ATOM 383 HD22 LEU 24 2.455 -19.459 30.402 1.00 73.32 ATOM 384 HD23 LEU 24 2.495 -21.217 30.301 1.00 52.24 ATOM 385 C LEU 24 5.204 -19.308 33.149 1.00 52.12 ATOM 386 O LEU 24 4.283 -19.687 33.871 1.00 54.22 ATOM 387 N GLY 25 6.449 -19.150 33.588 1.00 51.11 ATOM 388 HN GLY 25 7.161 -18.881 32.979 1.00 37.19 ATOM 389 CA GLY 25 6.788 -19.424 34.972 1.00 14.43 ATOM 390 HA1 GLY 25 5.961 -19.150 35.617 1.00 37.19 ATOM 391 HA2 GLY 25 7.645 -18.823 35.239 1.00 15.25 ATOM 392 C GLY 25 7.132 -20.881 35.208 1.00 53.03 ATOM 393 O GLY 25 6.843 -21.431 36.271 1.00 51.23 ATOM 394 N VAL 26 7.749 -21.510 34.213 1.00 45.22 ATOM 395 HN VAL 26 7.964 -21.020 33.394 1.00 37.19 ATOM 396 CA VAL 26 8.133 -22.913 34.316 1.00 12.31 ATOM 397 HA VAL 26 7.814 -23.308 35.276 1.00 25.45 ATOM 398 CB VAL 26 7.474 -23.757 33.209 1.00 23.52 ATOM 399 HB VAL 26 7.928 -24.740 33.197 1.00 34.23 ATOM 400 CG1 VAL 26 5.990 -23.940 33.488 1.00 23.44 ATOM 401 HG11 VAL 26 5.501 -22.976 33.493 1.00 41.24 ATOM 402 HG12 VAL 26 5.857 -24.411 34.451 1.00 24.53 ATOM 403 HG13 VAL 26 5.550 -24.563 32.722 1.00 3.31 ATOM 404 CG2 VAL 26 7.694 -23.115 31.848 1.00 71.33 ATOM 405 HG21 VAL 26 7.322 -23.778 31.081 1.00 41.43 ATOM 406 HG22 VAL 26 8.747 -22.943 31.681 1.00 34.20 ATOM 407 HG23 VAL 26 7.159 -22.179 31.792 1.00 54.22 ATOM 408 C VAL 26 9.646 -23.076 34.233 1.00 62.53 ATOM 409 O VAL 26 10.207 -24.040 34.756 1.00 24.01 ATOM 410 N LEU 27 10.303 -22.129 33.572 1.00 74.31 ATOM 411 HN LEU 27 9.821 -21.399 33.136 1.00 37.19 ATOM 412 CA LEU 27 11.753 -22.167 33.420 1.00 70.31 ATOM 413 HA LEU 27 12.157 -22.919 34.089 1.00 43.42 ATOM 414 CB LEU 27 12.125 -22.551 31.987 1.00 44.14 ATOM 415 HB1 LEU 27 11.606 -21.870 31.328 1.00 37.19 ATOM 416 HB2 LEU 27 11.765 -23.534 31.804 1.00 45.31 ATOM 417 CG LEU 27 13.615 -22.500 31.644 1.00 73.52 ATOM 418 HG LEU 27 14.014 -21.535 31.898 1.00 12.41 ATOM 419 CD1 LEU 27 14.381 -23.546 32.439 1.00 2.43 ATOM 420 HD11 LEU 27 14.040 -24.525 32.168 1.00 13.10 ATOM 421 HD12 LEU 27 14.225 -23.390 33.497 1.00 72.32 ATOM 422 HD13 LEU 27 15.437 -23.462 32.221 1.00 12.02 ATOM 423 CD2 LEU 27 13.825 -22.704 30.150 1.00 3.15 ATOM 424 HD21 LEU 27 13.450 -23.676 29.857 1.00 31.21 ATOM 425 HD22 LEU 27 14.880 -22.642 29.920 1.00 34.45 ATOM 426 HD23 LEU 27 13.297 -21.936 29.602 1.00 55.14 ATOM 427 C LEU 27 12.373 -20.820 33.775 1.00 3.04 ATOM 428 O LEU 27 11.918 -19.775 33.311 1.00 23.22 ATOM 429 N GLU 28 13.416 -20.853 34.600 1.00 74.21 ATOM 430 HN GLU 28 13.739 -21.723 34.937 1.00 37.19 ATOM 431 CA GLU 28 14.099 -19.634 35.016 1.00 52.12 ATOM 432 HA GLU 28 13.372 -18.988 35.492 1.00 22.01 ATOM 433 CB GLU 28 15.201 -19.960 36.026 1.00 12.32 ATOM 434 HB1 GLU 28 14.792 -20.611 36.787 1.00 37.19 ATOM 435 HB2 GLU 28 15.528 -19.041 36.490 1.00 31.05 ATOM 436 CG GLU 28 16.411 -20.640 35.409 1.00 50.04 ATOM 437 HG1 GLU 28 16.877 -19.969 34.703 1.00 37.19 ATOM 438 HG2 GLU 28 16.088 -21.534 34.896 1.00 41.32 ATOM 439 CD GLU 28 17.452 -21.028 36.441 1.00 40.13 ATOM 440 OE1 GLU 28 18.405 -21.750 36.079 1.00 74.10 ATOM 441 OE2 GLU 28 17.314 -20.610 37.609 1.00 4.12 ATOM 442 C GLU 28 14.695 -18.907 33.814 1.00 55.14 ATOM 443 O GLU 28 14.939 -19.510 32.769 1.00 64.01 ATOM 444 N SER 29 14.925 -17.607 33.970 1.00 74.21 ATOM 445 HN SER 29 14.726 -17.180 34.838 1.00 37.19 ATOM 446 CA SER 29 15.487 -16.796 32.897 1.00 43.03 ATOM 447 HA SER 29 15.173 -17.230 31.960 1.00 13.30 ATOM 448 CB SER 29 14.956 -15.364 32.979 1.00 4.55 ATOM 449 HB1 SER 29 15.766 -14.664 33.144 1.00 37.19 ATOM 450 HB2 SER 29 14.251 -15.280 33.795 1.00 73.43 ATOM 451 OG SER 29 14.289 -14.997 31.784 1.00 4.02 ATOM 452 HG SER 29 14.067 -14.064 31.815 1.00 64.11 ATOM 453 C SER 29 17.012 -16.790 32.962 1.00 35.22 ATOM 454 O SER 29 17.614 -17.037 34.007 1.00 45.21 ATOM 455 N PRO 30 17.651 -16.502 31.819 1.00 51.31 ATOM 456 CA PRO 30 19.113 -16.456 31.719 1.00 13.13 ATOM 457 HA PRO 30 19.563 -17.370 32.080 1.00 13.20 ATOM 458 CB PRO 30 19.362 -16.321 30.215 1.00 54.00 ATOM 459 HB1 PRO 30 19.506 -17.297 29.815 1.00 37.19 ATOM 460 HB2 PRO 30 20.240 -15.715 30.019 1.00 64.05 ATOM 461 CG PRO 30 18.123 -15.687 29.681 1.00 24.25 ATOM 462 HG1 PRO 30 17.974 -15.975 28.653 1.00 37.19 ATOM 463 HG2 PRO 30 18.197 -14.613 29.763 1.00 23.34 ATOM 464 CD PRO 30 16.996 -16.198 30.536 1.00 50.54 ATOM 465 HD1 PRO 30 16.568 -17.088 30.100 1.00 37.19 ATOM 466 HD2 PRO 30 16.254 -15.434 30.642 1.00 21.20 ATOM 467 C PRO 30 19.708 -15.267 32.466 1.00 33.34 ATOM 468 O PRO 30 19.000 -14.322 32.815 1.00 71.10 ATOM 469 N LYS 31 21.013 -15.320 32.709 1.00 31.45 ATOM 470 HN LYS 31 21.529 -16.099 32.391 1.00 37.19 ATOM 471 CA LYS 31 21.705 -14.248 33.414 1.00 52.51 ATOM 472 HA LYS 31 21.107 -13.975 34.273 1.00 71.40 ATOM 473 CB LYS 31 23.089 -14.717 33.867 1.00 10.04 ATOM 474 HB1 LYS 31 23.851 -14.299 33.221 1.00 37.19 ATOM 475 HB2 LYS 31 23.143 -15.797 33.798 1.00 72.31 ATOM 476 CG LYS 31 23.426 -14.326 35.296 1.00 41.42 ATOM 477 HG1 LYS 31 23.316 -13.254 35.393 1.00 37.19 ATOM 478 HG2 LYS 31 24.452 -14.588 35.488 1.00 51.12 ATOM 479 CD LYS 31 22.499 -15.001 36.293 1.00 41.24 ATOM 480 HD1 LYS 31 21.585 -15.327 35.818 1.00 37.19 ATOM 481 HD2 LYS 31 22.257 -14.291 37.068 1.00 4.04 ATOM 482 CE LYS 31 23.161 -16.207 36.941 1.00 61.13 ATOM 483 HE1 LYS 31 23.427 -16.918 36.172 1.00 37.19 ATOM 484 HE2 LYS 31 22.457 -16.663 37.621 1.00 53.30 ATOM 485 NZ LYS 31 24.386 -15.828 37.698 1.00 50.42 ATOM 486 HZ1 LYS 31 25.174 -15.644 37.047 1.00 13.43 ATOM 487 HZ2 LYS 31 24.660 -16.604 38.333 1.00 1.13 ATOM 488 HZ3 LYS 31 24.217 -14.975 38.275 1.00 24.33 ATOM 489 C LYS 31 21.840 -13.013 32.528 1.00 60.43 ATOM 490 O LYS 31 21.963 -11.892 33.021 1.00 22.22 ATOM 491 N LYS 32 21.815 -13.227 31.216 1.00 11.34 ATOM 492 HN LYS 32 21.751 -14.145 30.868 1.00 37.19 ATOM 493 CA LYS 32 21.932 -12.132 30.260 1.00 32.04 ATOM 494 HA LYS 32 21.444 -11.257 30.672 1.00 24.13 ATOM 495 CB LYS 32 23.405 -11.802 30.009 1.00 71.20 ATOM 496 HB1 LYS 32 23.895 -11.704 30.969 1.00 37.19 ATOM 497 HB2 LYS 32 23.472 -10.857 29.492 1.00 61.31 ATOM 498 CG LYS 32 24.131 -12.852 29.187 1.00 65.35 ATOM 499 HG1 LYS 32 24.180 -12.521 28.159 1.00 37.19 ATOM 500 HG2 LYS 32 23.597 -13.793 29.235 1.00 62.15 ATOM 501 CD LYS 32 25.541 -13.089 29.703 1.00 13.53 ATOM 502 HD1 LYS 32 25.962 -13.938 29.183 1.00 37.19 ATOM 503 HD2 LYS 32 25.502 -13.304 30.763 1.00 73.01 ATOM 504 CE LYS 32 26.428 -11.873 29.479 1.00 73.52 ATOM 505 HE1 LYS 32 27.089 -11.777 30.327 1.00 37.19 ATOM 506 HE2 LYS 32 25.833 -10.974 29.395 1.00 14.33 ATOM 507 NZ LYS 32 27.258 -12.012 28.250 1.00 15.11 ATOM 508 HZ1 LYS 32 26.649 -12.118 27.412 1.00 24.35 ATOM 509 HZ2 LYS 32 27.878 -12.845 28.323 1.00 3.44 ATOM 510 HZ3 LYS 32 27.852 -11.167 28.126 1.00 50.01 ATOM 511 C LYS 32 21.247 -12.484 28.944 1.00 71.13 ATOM 512 O LYS 32 20.534 -13.484 28.850 1.00 12.22 ATOM 513 N THR 33 21.469 -11.657 27.927 1.00 72.24 ATOM 514 HN THR 33 22.022 -10.855 28.057 1.00 37.19 ATOM 515 CA THR 33 20.874 -11.881 26.615 1.00 35.54 ATOM 516 HA THR 33 19.819 -12.100 26.762 1.00 14.14 ATOM 517 CB THR 33 20.981 -10.627 25.728 1.00 62.34 ATOM 518 HB THR 33 22.004 -10.519 25.386 1.00 64.03 ATOM 519 OG1 THR 33 20.625 -9.462 26.480 1.00 35.40 ATOM 520 HG1 THR 33 21.409 -9.086 26.887 1.00 64.40 ATOM 521 CG2 THR 33 20.077 -10.747 24.510 1.00 63.01 ATOM 522 HG21 THR 33 20.138 -9.838 23.929 1.00 75.32 ATOM 523 HG22 THR 33 19.055 -10.899 24.828 1.00 22.44 ATOM 524 HG23 THR 33 20.393 -11.582 23.902 1.00 44.44 ATOM 525 C THR 33 21.539 -13.053 25.903 1.00 72.33 ATOM 526 O THR 33 22.650 -12.928 25.387 1.00 30.20 ATOM 527 N ILE 34 20.853 -14.191 25.877 1.00 55.32 ATOM 528 HN ILE 34 19.959 -14.223 26.292 1.00 37.19 ATOM 529 CA ILE 34 21.377 -15.384 25.225 1.00 23.31 ATOM 530 HA ILE 34 22.348 -15.601 25.662 1.00 53.20 ATOM 531 CB ILE 34 20.465 -16.602 25.462 1.00 74.15 ATOM 532 HB ILE 34 19.487 -16.378 25.057 1.00 73.31 ATOM 533 CG1 ILE 34 20.332 -16.884 26.959 1.00 32.25 ATOM 534 HG11 ILE 34 20.014 -15.988 27.473 1.00 37.19 ATOM 535 HG12 ILE 34 21.289 -17.193 27.354 1.00 22.14 ATOM 536 CG2 ILE 34 21.010 -17.822 24.734 1.00 52.24 ATOM 537 HG21 ILE 34 22.003 -18.048 25.097 1.00 23.23 ATOM 538 HG22 ILE 34 21.052 -17.636 23.672 1.00 51.41 ATOM 539 HG23 ILE 34 20.372 -18.672 24.900 1.00 51.33 ATOM 540 CD1 ILE 34 19.327 -17.967 27.284 1.00 71.44 ATOM 541 HD11 ILE 34 18.329 -17.563 27.209 1.00 40.32 ATOM 542 HD12 ILE 34 19.494 -18.324 28.282 1.00 64.12 ATOM 543 HD13 ILE 34 19.422 -18.797 26.608 1.00 14.50 ATOM 544 C ILE 34 21.536 -15.166 23.724 1.00 25.23 ATOM 545 O ILE 34 20.587 -14.791 23.037 1.00 53.00 ATOM 546 N SER 35 22.744 -15.406 23.222 1.00 55.42 ATOM 547 HN SER 35 23.464 -15.724 23.817 1.00 37.19 ATOM 548 CA SER 35 23.028 -15.234 21.802 1.00 4.51 ATOM 549 HA SER 35 22.391 -14.450 21.410 1.00 55.12 ATOM 550 CB SER 35 24.486 -14.816 21.600 1.00 41.43 ATOM 551 HB1 SER 35 24.795 -14.166 22.407 1.00 37.19 ATOM 552 HB2 SER 35 24.578 -14.289 20.662 1.00 31.43 ATOM 553 OG SER 35 25.341 -15.945 21.569 1.00 70.32 ATOM 554 HG SER 35 26.250 -15.656 21.458 1.00 54.32 ATOM 555 C SER 35 22.744 -16.519 21.031 1.00 24.34 ATOM 556 O SER 35 22.464 -16.489 19.833 1.00 12.40 ATOM 557 N ASP 36 22.820 -17.648 21.728 1.00 13.20 ATOM 558 HN ASP 36 23.075 -17.631 22.677 1.00 37.19 ATOM 559 CA ASP 36 22.570 -18.945 21.111 1.00 61.40 ATOM 560 HA ASP 36 22.239 -18.796 20.091 1.00 74.54 ATOM 561 CB ASP 36 23.857 -19.770 21.069 1.00 24.34 ATOM 562 HB1 ASP 36 24.112 -20.105 22.066 1.00 37.19 ATOM 563 HB2 ASP 36 24.658 -19.149 20.694 1.00 13.54 ATOM 564 CG ASP 36 23.740 -20.981 20.164 1.00 3.22 ATOM 565 OD1 ASP 36 23.203 -20.836 19.046 1.00 65.13 ATOM 566 OD2 ASP 36 24.186 -22.073 20.574 1.00 42.21 ATOM 567 C ASP 36 21.487 -19.708 21.868 1.00 51.42 ATOM 568 O ASP 36 21.761 -20.652 22.609 1.00 74.14 ATOM 569 N PRO 37 20.227 -19.289 21.680 1.00 53.35 ATOM 570 CA PRO 37 19.077 -19.918 22.336 1.00 10.22 ATOM 571 HA PRO 37 19.209 -19.965 23.408 1.00 13.24 ATOM 572 CB PRO 37 17.918 -18.974 22.003 1.00 24.43 ATOM 573 HB1 PRO 37 17.802 -18.258 22.803 1.00 37.19 ATOM 574 HB2 PRO 37 16.994 -19.524 21.877 1.00 71.51 ATOM 575 CG PRO 37 18.331 -18.299 20.741 1.00 13.00 ATOM 576 HG1 PRO 37 17.880 -17.332 20.683 1.00 37.19 ATOM 577 HG2 PRO 37 18.042 -18.902 19.900 1.00 34.41 ATOM 578 CD PRO 37 19.827 -18.169 20.811 1.00 61.14 ATOM 579 HD1 PRO 37 20.100 -17.222 21.250 1.00 37.19 ATOM 580 HD2 PRO 37 20.250 -18.267 19.824 1.00 52.42 ATOM 581 C PRO 37 18.796 -21.317 21.799 1.00 42.25 ATOM 582 O PRO 37 17.978 -22.051 22.352 1.00 64.02 ATOM 583 N GLU 38 19.480 -21.679 20.717 1.00 0.35 ATOM 584 HN GLU 38 20.084 -21.048 20.278 1.00 37.19 ATOM 585 CA GLU 38 19.303 -22.990 20.106 1.00 75.42 ATOM 586 HA GLU 38 18.243 -23.169 19.999 1.00 71.41 ATOM 587 CB GLU 38 19.958 -23.026 18.724 1.00 60.23 ATOM 588 HB1 GLU 38 20.029 -24.058 18.394 1.00 37.19 ATOM 589 HB2 GLU 38 20.954 -22.614 18.799 1.00 20.40 ATOM 590 CG GLU 38 19.197 -22.241 17.669 1.00 72.45 ATOM 591 HG1 GLU 38 19.354 -21.186 17.841 1.00 37.19 ATOM 592 HG2 GLU 38 18.142 -22.465 17.751 1.00 41.02 ATOM 593 CD GLU 38 19.645 -22.573 16.258 1.00 4.44 ATOM 594 OE1 GLU 38 19.118 -23.546 15.680 1.00 12.45 ATOM 595 OE2 GLU 38 20.524 -21.858 15.733 1.00 44.31 ATOM 596 C GLU 38 19.892 -24.087 20.989 1.00 52.32 ATOM 597 O GLU 38 19.313 -25.163 21.130 1.00 21.03 ATOM 598 N GLY 39 21.049 -23.804 21.581 1.00 74.14 ATOM 599 HN GLY 39 21.486 -22.937 21.430 1.00 37.19 ATOM 600 CA GLY 39 21.698 -24.775 22.442 1.00 60.25 ATOM 601 HA1 GLY 39 22.762 -24.588 22.426 1.00 37.19 ATOM 602 HA2 GLY 39 21.520 -25.778 22.071 1.00 71.53 ATOM 603 C GLY 39 21.218 -24.690 23.877 1.00 61.12 ATOM 604 O GLY 39 21.114 -25.705 24.565 1.00 35.43 ATOM 605 N PHE 40 20.927 -23.476 24.331 1.00 51.54 ATOM 606 HN PHE 40 21.041 -22.694 23.740 1.00 37.19 ATOM 607 CA PHE 40 20.458 -23.261 25.695 1.00 70.23 ATOM 608 HA PHE 40 21.199 -23.661 26.374 1.00 41.05 ATOM 609 CB PHE 40 20.295 -21.765 25.971 1.00 32.24 ATOM 610 HB1 PHE 40 19.706 -21.326 25.176 1.00 37.19 ATOM 611 HB2 PHE 40 21.274 -21.302 25.974 1.00 3.35 ATOM 612 CG PHE 40 19.622 -21.468 27.281 1.00 3.40 ATOM 613 CD1 PHE 40 20.370 -21.279 28.432 1.00 24.40 ATOM 614 HD1 PHE 40 21.449 -21.347 28.386 1.00 62.43 ATOM 615 CD2 PHE 40 18.242 -21.376 27.361 1.00 2.51 ATOM 616 HD2 PHE 40 17.644 -21.521 26.471 1.00 14.52 ATOM 617 CE1 PHE 40 19.754 -21.006 29.638 1.00 31.34 ATOM 618 HE1 PHE 40 20.349 -20.861 30.528 1.00 22.23 ATOM 619 CE2 PHE 40 17.620 -21.102 28.565 1.00 61.23 ATOM 620 HE2 PHE 40 16.543 -21.032 28.614 1.00 44.43 ATOM 621 CZ PHE 40 18.377 -20.916 29.705 1.00 62.43 ATOM 622 HZ PHE 40 17.894 -20.703 30.647 1.00 23.41 ATOM 623 C PHE 40 19.134 -23.982 25.934 1.00 3.53 ATOM 624 O PHE 40 18.855 -24.439 27.043 1.00 21.14 ATOM 625 N LEU 41 18.322 -24.078 24.887 1.00 4.14 ATOM 626 HN LEU 41 18.590 -23.685 24.024 1.00 37.19 ATOM 627 CA LEU 41 17.027 -24.742 24.982 1.00 11.04 ATOM 628 HA LEU 41 16.543 -24.397 25.881 1.00 63.00 ATOM 629 CB LEU 41 16.167 -24.402 23.764 1.00 13.21 ATOM 630 HB1 LEU 41 15.507 -25.238 23.552 1.00 37.19 ATOM 631 HB2 LEU 41 16.828 -24.277 22.916 1.00 40.33 ATOM 632 CG LEU 41 15.304 -23.145 23.881 1.00 4.54 ATOM 633 HG LEU 41 15.944 -22.311 24.108 1.00 12.24 ATOM 634 CD1 LEU 41 14.598 -22.857 22.566 1.00 74.43 ATOM 635 HD11 LEU 41 14.387 -21.815 22.512 1.00 73.30 ATOM 636 HD12 LEU 41 13.677 -23.419 22.504 1.00 61.35 ATOM 637 HD13 LEU 41 15.231 -23.141 21.743 1.00 60.34 ATOM 638 CD2 LEU 41 14.295 -23.294 25.010 1.00 54.31 ATOM 639 HD21 LEU 41 14.809 -23.398 25.952 1.00 25.41 ATOM 640 HD22 LEU 41 13.680 -24.166 24.838 1.00 64.24 ATOM 641 HD23 LEU 41 13.664 -22.416 25.050 1.00 35.45 ATOM 642 C LEU 41 17.197 -26.254 25.093 1.00 12.21 ATOM 643 O LEU 41 16.664 -26.882 26.007 1.00 14.12 ATOM 644 N GLN 42 17.944 -26.830 24.157 1.00 23.24 ATOM 645 HN GLN 42 18.342 -26.272 23.446 1.00 37.19 ATOM 646 CA GLN 42 18.185 -28.268 24.151 1.00 24.24 ATOM 647 HA GLN 42 17.247 -28.762 23.942 1.00 34.51 ATOM 648 CB GLN 42 19.192 -28.633 23.059 1.00 31.40 ATOM 649 HB1 GLN 42 20.126 -28.122 23.251 1.00 37.19 ATOM 650 HB2 GLN 42 18.801 -28.289 22.111 1.00 60.34 ATOM 651 CG GLN 42 19.449 -30.127 22.943 1.00 22.15 ATOM 652 HG1 GLN 42 19.722 -30.345 21.920 1.00 37.19 ATOM 653 HG2 GLN 42 18.543 -30.669 23.187 1.00 41.20 ATOM 654 CD GLN 42 20.572 -30.597 23.846 1.00 25.43 ATOM 655 OE1 GLN 42 21.602 -29.934 23.972 1.00 23.22 ATOM 656 NE2 GLN 42 20.380 -31.748 24.481 1.00 11.33 ATOM 657 HE21 GLN 42 19.538 -32.238 24.344 1.00 60.41 ATOM 658 HE22 GLN 42 21.095 -32.068 25.070 1.00 12.44 ATOM 659 C GLN 42 18.697 -28.740 25.509 1.00 75.14 ATOM 660 O GLN 42 18.289 -29.789 26.006 1.00 72.43 ATOM 661 N ALA 43 19.592 -27.958 26.103 1.00 51.03 ATOM 662 HN ALA 43 19.893 -27.133 25.652 1.00 37.19 ATOM 663 CA ALA 43 20.157 -28.295 27.403 1.00 25.21 ATOM 664 HA ALA 43 20.617 -29.272 27.330 1.00 22.45 ATOM 665 CB ALA 43 21.240 -27.296 27.783 1.00 42.11 ATOM 666 HB1 ALA 43 21.996 -27.278 27.012 1.00 74.54 ATOM 667 HB2 ALA 43 21.693 -27.588 28.720 1.00 14.51 ATOM 668 HB3 ALA 43 20.807 -26.310 27.883 1.00 54.12 ATOM 669 C ALA 43 19.076 -28.340 28.477 1.00 10.12 ATOM 670 O ALA 43 19.022 -29.273 29.278 1.00 13.14 ATOM 671 N SER 44 18.217 -27.326 28.488 1.00 1.54 ATOM 672 HN SER 44 18.308 -26.606 27.818 1.00 37.19 ATOM 673 CA SER 44 17.139 -27.247 29.468 1.00 64.25 ATOM 674 HA SER 44 17.559 -27.418 30.452 1.00 14.42 ATOM 675 CB SER 44 16.501 -25.857 29.444 1.00 35.20 ATOM 676 HB1 SER 44 16.304 -25.570 28.421 1.00 37.19 ATOM 677 HB2 SER 44 17.177 -25.144 29.893 1.00 74.53 ATOM 678 OG SER 44 15.280 -25.845 30.164 1.00 1.41 ATOM 679 HG SER 44 15.462 -25.812 31.107 1.00 2.33 ATOM 680 C SER 44 16.080 -28.311 29.196 1.00 40.13 ATOM 681 O SER 44 15.369 -28.743 30.104 1.00 4.34 ATOM 682 N LEU 45 15.980 -28.729 27.939 1.00 71.21 ATOM 683 HN LEU 45 16.567 -28.350 27.246 1.00 37.19 ATOM 684 CA LEU 45 15.007 -29.743 27.545 1.00 5.20 ATOM 685 HA LEU 45 14.112 -29.613 28.139 1.00 41.13 ATOM 686 CB LEU 45 14.643 -29.582 26.068 1.00 24.00 ATOM 687 HB1 LEU 45 14.026 -30.407 25.774 1.00 37.19 ATOM 688 HB2 LEU 45 15.562 -29.625 25.500 1.00 61.25 ATOM 689 CG LEU 45 13.906 -28.296 25.695 1.00 50.52 ATOM 690 HG LEU 45 14.422 -27.452 26.119 1.00 2.11 ATOM 691 CD1 LEU 45 13.875 -28.117 24.185 1.00 75.22 ATOM 692 HD11 LEU 45 14.808 -28.443 23.744 1.00 13.44 ATOM 693 HD12 LEU 45 13.721 -27.073 23.955 1.00 2.10 ATOM 694 HD13 LEU 45 13.067 -28.688 23.784 1.00 61.21 ATOM 695 CD2 LEU 45 12.494 -28.307 26.262 1.00 51.51 ATOM 696 HD21 LEU 45 12.523 -28.471 27.329 1.00 64.21 ATOM 697 HD22 LEU 45 11.939 -29.093 25.793 1.00 55.23 ATOM 698 HD23 LEU 45 12.016 -27.359 26.062 1.00 11.34 ATOM 699 C LEU 45 15.551 -31.146 27.797 1.00 50.43 ATOM 700 O LEU 45 14.792 -32.110 27.890 1.00 35.21 ATOM 701 N LYS 46 16.871 -31.252 27.908 1.00 73.01 ATOM 702 HN LYS 46 17.438 -30.457 27.798 1.00 37.19 ATOM 703 CA LYS 46 17.517 -32.536 28.153 1.00 44.34 ATOM 704 HA LYS 46 17.376 -33.148 27.273 1.00 40.34 ATOM 705 CB LYS 46 19.016 -32.338 28.394 1.00 14.52 ATOM 706 HB1 LYS 46 19.164 -31.894 29.372 1.00 37.19 ATOM 707 HB2 LYS 46 19.399 -31.660 27.643 1.00 52.34 ATOM 708 CG LYS 46 19.820 -33.624 28.316 1.00 14.32 ATOM 709 HG1 LYS 46 19.787 -33.992 27.301 1.00 37.19 ATOM 710 HG2 LYS 46 19.372 -34.355 28.978 1.00 61.21 ATOM 711 CD LYS 46 21.270 -33.400 28.711 1.00 13.32 ATOM 712 HD1 LYS 46 21.340 -32.571 29.406 1.00 37.19 ATOM 713 HD2 LYS 46 21.841 -33.174 27.824 1.00 23.32 ATOM 714 CE LYS 46 21.865 -34.634 29.372 1.00 55.04 ATOM 715 HE1 LYS 46 21.692 -35.495 28.738 1.00 37.19 ATOM 716 HE2 LYS 46 21.379 -34.786 30.324 1.00 15.43 ATOM 717 NZ LYS 46 23.330 -34.492 29.595 1.00 50.30 ATOM 718 HZ1 LYS 46 23.525 -33.677 30.214 1.00 10.43 ATOM 719 HZ2 LYS 46 23.823 -34.351 28.689 1.00 44.22 ATOM 720 HZ3 LYS 46 23.704 -35.351 30.047 1.00 5.42 ATOM 721 C LYS 46 16.888 -33.243 29.349 1.00 41.23 ATOM 722 O LYS 46 16.575 -34.432 29.285 1.00 41.32 ATOM 723 N ASP 47 16.704 -32.504 30.437 1.00 3.13 ATOM 724 HN ASP 47 16.937 -31.547 30.405 1.00 37.19 ATOM 725 CA ASP 47 16.110 -33.060 31.647 1.00 14.22 ATOM 726 HA ASP 47 16.634 -33.975 31.894 1.00 44.54 ATOM 727 CB ASP 47 16.262 -32.080 32.812 1.00 34.52 ATOM 728 HB1 ASP 47 16.188 -32.624 33.742 1.00 37.19 ATOM 729 HB2 ASP 47 15.477 -31.335 32.772 1.00 35.24 ATOM 730 CG ASP 47 17.592 -31.354 32.788 1.00 52.43 ATOM 731 OD1 ASP 47 18.556 -31.860 33.399 1.00 74.34 ATOM 732 OD2 ASP 47 17.669 -30.277 32.158 1.00 32.53 ATOM 733 C ASP 47 14.635 -33.384 31.428 1.00 21.33 ATOM 734 O ASP 47 14.165 -34.461 31.794 1.00 42.03 ATOM 735 N GLY 48 13.910 -32.444 30.830 1.00 33.12 ATOM 736 HN GLY 48 14.326 -31.594 30.561 1.00 37.19 ATOM 737 CA GLY 48 12.496 -32.649 30.574 1.00 10.32 ATOM 738 HA1 GLY 48 12.298 -33.688 30.372 1.00 37.19 ATOM 739 HA2 GLY 48 12.235 -32.076 29.700 1.00 33.33 ATOM 740 C GLY 48 11.625 -32.173 31.720 1.00 74.22 ATOM 741 O GLY 48 10.413 -32.019 31.566 1.00 71.55 ATOM 742 N VAL 49 12.242 -31.941 32.874 1.00 51.21 ATOM 743 HN VAL 49 13.205 -32.033 32.934 1.00 37.19 ATOM 744 CA VAL 49 11.515 -31.481 34.051 1.00 55.42 ATOM 745 HA VAL 49 10.869 -32.285 34.379 1.00 41.35 ATOM 746 CB VAL 49 12.475 -31.125 35.201 1.00 63.21 ATOM 747 HB VAL 49 13.114 -30.313 34.879 1.00 62.33 ATOM 748 CG1 VAL 49 11.697 -30.661 36.423 1.00 63.22 ATOM 749 HG11 VAL 49 10.877 -31.338 36.622 1.00 51.51 ATOM 750 HG12 VAL 49 11.312 -29.673 36.243 1.00 33.24 ATOM 751 HG13 VAL 49 12.350 -30.628 37.286 1.00 23.21 ATOM 752 CG2 VAL 49 13.360 -32.315 35.542 1.00 2.42 ATOM 753 HG21 VAL 49 13.988 -32.560 34.702 1.00 23.00 ATOM 754 HG22 VAL 49 12.744 -33.162 35.786 1.00 45.44 ATOM 755 HG23 VAL 49 13.985 -32.072 36.391 1.00 51.41 ATOM 756 C VAL 49 10.657 -30.263 33.725 1.00 34.13 ATOM 757 O VAL 49 9.585 -30.074 34.301 1.00 51.53 ATOM 758 N VAL 50 11.135 -29.440 32.798 1.00 50.31 ATOM 759 HN VAL 50 12.004 -29.625 32.376 1.00 37.19 ATOM 760 CA VAL 50 10.411 -28.240 32.394 1.00 62.23 ATOM 761 HA VAL 50 9.917 -27.827 33.268 1.00 61.31 ATOM 762 CB VAL 50 11.367 -27.170 31.833 1.00 32.30 ATOM 763 HB VAL 50 11.769 -27.521 30.891 1.00 21.15 ATOM 764 CG1 VAL 50 10.621 -25.870 31.575 1.00 74.22 ATOM 765 HG11 VAL 50 11.286 -25.185 31.079 1.00 74.53 ATOM 766 HG12 VAL 50 10.291 -25.441 32.510 1.00 64.04 ATOM 767 HG13 VAL 50 9.765 -26.042 30.940 1.00 13.54 ATOM 768 CG2 VAL 50 12.532 -26.946 32.785 1.00 40.22 ATOM 769 HG21 VAL 50 12.163 -26.588 33.736 1.00 11.11 ATOM 770 HG22 VAL 50 13.199 -26.220 32.364 1.00 25.21 ATOM 771 HG23 VAL 50 13.074 -27.867 32.935 1.00 75.30 ATOM 772 C VAL 50 9.355 -28.564 31.343 1.00 41.41 ATOM 773 O VAL 50 8.275 -27.972 31.330 1.00 33.21 ATOM 774 N LEU 51 9.674 -29.506 30.463 1.00 73.13 ATOM 775 HN LEU 51 10.563 -29.928 30.502 1.00 37.19 ATOM 776 CA LEU 51 8.752 -29.910 29.407 1.00 53.13 ATOM 777 HA LEU 51 8.638 -29.075 28.730 1.00 34.20 ATOM 778 CB LEU 51 9.313 -31.111 28.644 1.00 21.32 ATOM 779 HB1 LEU 51 8.494 -31.646 28.185 1.00 37.19 ATOM 780 HB2 LEU 51 9.777 -31.773 29.356 1.00 53.53 ATOM 781 CG LEU 51 10.331 -30.795 27.548 1.00 5.44 ATOM 782 HG LEU 51 11.101 -30.155 27.955 1.00 43.54 ATOM 783 CD1 LEU 51 10.997 -32.069 27.053 1.00 33.44 ATOM 784 HD11 LEU 51 11.758 -31.818 26.329 1.00 75.24 ATOM 785 HD12 LEU 51 10.259 -32.710 26.590 1.00 60.21 ATOM 786 HD13 LEU 51 11.450 -32.590 27.879 1.00 2.41 ATOM 787 CD2 LEU 51 9.664 -30.057 26.397 1.00 72.43 ATOM 788 HD21 LEU 51 9.709 -28.995 26.586 1.00 62.14 ATOM 789 HD22 LEU 51 8.634 -30.353 26.309 1.00 62.21 ATOM 790 HD23 LEU 51 10.174 -30.272 25.468 1.00 13.24 ATOM 791 C LEU 51 7.381 -30.253 29.982 1.00 25.40 ATOM 792 O LEU 51 6.353 -29.812 29.468 1.00 50.01 ATOM 793 N CYS 52 7.375 -31.041 31.052 1.00 44.04 ATOM 794 HN CYS 52 8.233 -31.367 31.416 1.00 37.19 ATOM 795 CA CYS 52 6.131 -31.443 31.698 1.00 2.43 ATOM 796 HA CYS 52 5.486 -31.879 30.944 1.00 53.35 ATOM 797 CB CYS 52 6.411 -32.474 32.793 1.00 53.24 ATOM 798 HB1 CYS 52 5.728 -32.331 33.623 1.00 37.19 ATOM 799 HB2 CYS 52 7.422 -32.351 33.150 1.00 25.12 ATOM 800 SG CYS 52 6.233 -34.190 32.252 1.00 25.22 ATOM 801 HG CYS 52 7.274 -34.488 31.488 1.00 43.44 ATOM 802 C CYS 52 5.413 -30.235 32.292 1.00 74.31 ATOM 803 O CYS 52 4.219 -30.037 32.064 1.00 42.11 ATOM 804 N ARG 53 6.147 -29.433 33.055 1.00 12.25 ATOM 805 HN ARG 53 7.099 -29.648 33.206 1.00 37.19 ATOM 806 CA ARG 53 5.579 -28.246 33.684 1.00 31.55 ATOM 807 HA ARG 53 4.825 -28.569 34.390 1.00 51.31 ATOM 808 CB ARG 53 6.665 -27.470 34.432 1.00 35.44 ATOM 809 HB1 ARG 53 6.263 -26.521 34.761 1.00 37.19 ATOM 810 HB2 ARG 53 7.485 -27.287 33.752 1.00 22.01 ATOM 811 CG ARG 53 7.201 -28.198 35.655 1.00 54.24 ATOM 812 HG1 ARG 53 7.507 -29.194 35.364 1.00 37.19 ATOM 813 HG2 ARG 53 6.418 -28.266 36.390 1.00 34.25 ATOM 814 CD ARG 53 8.398 -27.476 36.252 1.00 44.33 ATOM 815 HD1 ARG 53 8.092 -26.492 36.580 1.00 37.19 ATOM 816 HD2 ARG 53 9.158 -27.375 35.488 1.00 62.42 ATOM 817 NE ARG 53 8.972 -28.206 37.378 1.00 21.55 ATOM 818 HE ARG 53 9.834 -28.643 37.238 1.00 1.14 ATOM 819 CZ ARG 53 8.388 -28.299 38.568 1.00 23.30 ATOM 820 NH1 ARG 53 7.220 -27.711 38.785 1.00 40.15 ATOM 821 HH11 ARG 53 6.756 -27.183 38.083 1.00 73.53 ATOM 822 HH12 ARG 53 6.786 -27.799 39.684 1.00 71.41 ATOM 823 NH2 ARG 53 8.973 -28.982 39.544 1.00 71.31 ATOM 824 HH21 ARG 53 9.856 -29.429 39.387 1.00 25.54 ATOM 825 HH22 ARG 53 8.535 -29.053 40.442 1.00 71.53 ATOM 826 C ARG 53 4.918 -27.345 32.646 1.00 14.54 ATOM 827 O ARG 53 3.906 -26.699 32.924 1.00 51.24 ATOM 828 N LEU 54 5.496 -27.305 31.451 1.00 14.40 ATOM 829 HN LEU 54 6.316 -27.827 31.286 1.00 37.19 ATOM 830 CA LEU 54 4.963 -26.481 30.371 1.00 70.52 ATOM 831 HA LEU 54 4.855 -25.469 30.740 1.00 34.25 ATOM 832 CB LEU 54 5.930 -26.472 29.186 1.00 62.23 ATOM 833 HB1 LEU 54 6.297 -27.477 29.050 1.00 37.19 ATOM 834 HB2 LEU 54 6.770 -25.841 29.444 1.00 60.32 ATOM 835 CG LEU 54 5.355 -25.991 27.853 1.00 34.13 ATOM 836 HG LEU 54 4.480 -26.565 27.611 1.00 30.33 ATOM 837 CD1 LEU 54 4.947 -24.529 27.945 1.00 51.22 ATOM 838 HD11 LEU 54 4.532 -24.313 28.917 1.00 25.34 ATOM 839 HD12 LEU 54 4.192 -24.340 27.213 1.00 64.21 ATOM 840 HD13 LEU 54 5.798 -23.883 27.768 1.00 12.42 ATOM 841 CD2 LEU 54 6.362 -26.197 26.732 1.00 44.53 ATOM 842 HD21 LEU 54 6.655 -27.238 26.697 1.00 40.42 ATOM 843 HD22 LEU 54 7.224 -25.597 26.901 1.00 71.32 ATOM 844 HD23 LEU 54 5.922 -25.931 25.798 1.00 12.12 ATOM 845 C LEU 54 3.596 -26.989 29.922 1.00 23.14 ATOM 846 O LEU 54 2.656 -26.211 29.760 1.00 55.30 ATOM 847 N LEU 55 3.493 -28.299 29.726 1.00 52.21 ATOM 848 HN LEU 55 4.283 -28.874 29.867 1.00 37.19 ATOM 849 CA LEU 55 2.240 -28.912 29.298 1.00 11.25 ATOM 850 HA LEU 55 1.933 -28.443 28.372 1.00 15.31 ATOM 851 CB LEU 55 2.440 -30.408 29.049 1.00 1.34 ATOM 852 HB1 LEU 55 2.976 -30.821 29.894 1.00 37.19 ATOM 853 HB2 LEU 55 3.054 -30.509 28.172 1.00 52.10 ATOM 854 CG LEU 55 1.168 -31.229 28.835 1.00 11.41 ATOM 855 HG LEU 55 0.536 -31.154 29.707 1.00 65.11 ATOM 856 CD1 LEU 55 0.386 -30.699 27.643 1.00 33.41 ATOM 857 HD11 LEU 55 0.162 -29.653 27.777 1.00 4.24 ATOM 858 HD12 LEU 55 -0.538 -31.250 27.551 1.00 15.43 ATOM 859 HD13 LEU 55 0.965 -30.827 26.748 1.00 52.13 ATOM 860 CD2 LEU 55 1.508 -32.699 28.642 1.00 63.12 ATOM 861 HD21 LEU 55 0.657 -33.298 28.927 1.00 4.22 ATOM 862 HD22 LEU 55 2.351 -32.967 29.252 1.00 31.22 ATOM 863 HD23 LEU 55 1.751 -32.895 27.605 1.00 22.33 ATOM 864 C LEU 55 1.147 -28.700 30.341 1.00 53.01 ATOM 865 O LEU 55 -0.040 -28.695 30.017 1.00 72.25 ATOM 866 N GLU 56 1.556 -28.523 31.593 1.00 24.22 ATOM 867 HN GLU 56 2.515 -28.562 31.807 1.00 37.19 ATOM 868 CA GLU 56 0.611 -28.309 32.683 1.00 71.45 ATOM 869 HA GLU 56 -0.245 -28.957 32.525 1.00 42.03 ATOM 870 CB GLU 56 1.260 -28.651 34.025 1.00 0.13 ATOM 871 HB1 GLU 56 0.880 -27.991 34.798 1.00 37.19 ATOM 872 HB2 GLU 56 2.329 -28.502 33.951 1.00 34.00 ATOM 873 CG GLU 56 1.020 -30.084 34.470 1.00 4.12 ATOM 874 HG1 GLU 56 1.710 -30.315 35.268 1.00 37.19 ATOM 875 HG2 GLU 56 1.202 -30.751 33.638 1.00 1.41 ATOM 876 CD GLU 56 -0.391 -30.309 34.976 1.00 32.40 ATOM 877 OE1 GLU 56 -0.980 -31.359 34.642 1.00 40.14 ATOM 878 OE2 GLU 56 -0.907 -29.437 35.705 1.00 32.15 ATOM 879 C GLU 56 0.115 -26.866 32.697 1.00 22.22 ATOM 880 O GLU 56 -0.987 -26.582 33.167 1.00 23.01 ATOM 881 N ARG 57 0.937 -25.959 32.180 1.00 23.11 ATOM 882 HN ARG 57 1.815 -26.234 31.838 1.00 37.19 ATOM 883 CA ARG 57 0.584 -24.545 32.135 1.00 21.31 ATOM 884 HA ARG 57 0.305 -24.237 33.131 1.00 4.40 ATOM 885 CB ARG 57 1.776 -23.715 31.654 1.00 74.21 ATOM 886 HB1 ARG 57 1.429 -22.737 31.349 1.00 37.19 ATOM 887 HB2 ARG 57 2.220 -24.197 30.803 1.00 31.40 ATOM 888 CG ARG 57 2.854 -23.529 32.709 1.00 14.50 ATOM 889 HG1 ARG 57 3.710 -23.064 32.246 1.00 37.19 ATOM 890 HG2 ARG 57 3.134 -24.487 33.108 1.00 13.34 ATOM 891 CD ARG 57 2.371 -22.644 33.848 1.00 20.21 ATOM 892 HD1 ARG 57 3.159 -22.576 34.584 1.00 37.19 ATOM 893 HD2 ARG 57 1.502 -23.094 34.303 1.00 42.33 ATOM 894 NE ARG 57 2.040 -21.297 33.392 1.00 3.45 ATOM 895 HE ARG 57 2.278 -21.050 32.469 1.00 54.44 ATOM 896 CZ ARG 57 1.444 -20.388 34.156 1.00 33.34 ATOM 897 NH1 ARG 57 1.115 -20.682 35.407 1.00 53.32 ATOM 898 HH11 ARG 57 1.306 -21.579 35.800 1.00 5.43 ATOM 899 HH12 ARG 57 0.664 -19.990 35.975 1.00 34.54 ATOM 900 NH2 ARG 57 1.176 -19.183 33.670 1.00 74.21 ATOM 901 HH21 ARG 57 1.422 -18.955 32.726 1.00 63.32 ATOM 902 HH22 ARG 57 0.726 -18.496 34.245 1.00 15.54 ATOM 903 C ARG 57 -0.614 -24.313 31.219 1.00 32.24 ATOM 904 O ARG 57 -1.526 -23.555 31.552 1.00 0.14 ATOM 905 N LEU 58 -0.606 -24.970 30.065 1.00 43.13 ATOM 906 HN LEU 58 0.139 -25.580 29.855 1.00 37.19 ATOM 907 CA LEU 58 -1.692 -24.835 29.100 1.00 65.22 ATOM 908 HA LEU 58 -2.179 -23.878 29.247 1.00 10.05 ATOM 909 CB LEU 58 -1.141 -24.878 27.673 1.00 21.44 ATOM 910 HB1 LEU 58 -1.878 -24.439 27.014 1.00 37.19 ATOM 911 HB2 LEU 58 -1.015 -25.920 27.391 1.00 61.41 ATOM 912 CG LEU 58 0.195 -24.169 27.448 1.00 55.44 ATOM 913 HG LEU 58 0.913 -24.499 28.181 1.00 1.40 ATOM 914 CD1 LEU 58 0.758 -24.514 26.078 1.00 53.12 ATOM 915 HD11 LEU 58 1.831 -24.449 26.119 1.00 31.42 ATOM 916 HD12 LEU 58 0.388 -23.826 25.330 1.00 31.53 ATOM 917 HD13 LEU 58 0.482 -25.524 25.801 1.00 53.02 ATOM 918 CD2 LEU 58 0.030 -22.663 27.594 1.00 13.14 ATOM 919 HD21 LEU 58 0.986 -22.178 27.455 1.00 61.23 ATOM 920 HD22 LEU 58 -0.344 -22.434 28.582 1.00 32.40 ATOM 921 HD23 LEU 58 -0.668 -22.298 26.853 1.00 71.24 ATOM 922 C LEU 58 -2.729 -25.937 29.290 1.00 20.02 ATOM 923 O LEU 58 -3.933 -25.677 29.294 1.00 0.03 ATOM 924 N LEU 59 -2.255 -27.168 29.450 1.00 42.42 ATOM 925 HN LEU 59 -1.283 -27.326 29.438 1.00 37.19 ATOM 926 CA LEU 59 -3.141 -28.310 29.643 1.00 12.04 ATOM 927 HA LEU 59 -4.165 -27.993 29.543 1.00 2.42 ATOM 928 CB LEU 59 -2.864 -29.381 28.587 1.00 41.43 ATOM 929 HB1 LEU 59 -3.355 -30.300 28.892 1.00 37.19 ATOM 930 HB2 LEU 59 -1.809 -29.556 28.570 1.00 15.13 ATOM 931 CG LEU 59 -3.323 -29.055 27.165 1.00 62.11 ATOM 932 HG LEU 59 -2.800 -28.175 26.818 1.00 2.22 ATOM 933 CD1 LEU 59 -2.991 -30.201 26.221 1.00 3.44 ATOM 934 HD11 LEU 59 -3.462 -31.110 26.569 1.00 43.43 ATOM 935 HD12 LEU 59 -1.923 -30.340 26.185 1.00 20.00 ATOM 936 HD13 LEU 59 -3.350 -29.970 25.227 1.00 71.32 ATOM 937 CD2 LEU 59 -4.815 -28.758 27.141 1.00 10.31 ATOM 938 HD21 LEU 59 -5.360 -29.573 27.598 1.00 33.01 ATOM 939 HD22 LEU 59 -5.146 -28.638 26.117 1.00 20.11 ATOM 940 HD23 LEU 59 -5.014 -27.845 27.679 1.00 74.44 ATOM 941 C LEU 59 -2.971 -28.901 31.039 1.00 1.23 ATOM 942 O LEU 59 -2.386 -29.969 31.221 1.00 75.11 ATOM 943 N PRO 60 -3.495 -28.192 32.050 1.00 1.12 ATOM 944 CA PRO 60 -3.416 -28.628 33.447 1.00 20.35 ATOM 945 HA PRO 60 -2.393 -28.830 33.737 1.00 1.42 ATOM 946 CB PRO 60 -3.932 -27.416 34.227 1.00 33.52 ATOM 947 HB1 PRO 60 -3.096 -26.800 34.522 1.00 37.19 ATOM 948 HB2 PRO 60 -4.478 -27.728 35.109 1.00 14.30 ATOM 949 CG PRO 60 -4.812 -26.694 33.266 1.00 62.11 ATOM 950 HG1 PRO 60 -4.831 -25.641 33.505 1.00 37.19 ATOM 951 HG2 PRO 60 -5.810 -27.106 33.301 1.00 53.22 ATOM 952 CD PRO 60 -4.205 -26.910 31.907 1.00 12.10 ATOM 953 HD1 PRO 60 -3.518 -26.111 31.696 1.00 37.19 ATOM 954 HD2 PRO 60 -4.979 -26.963 31.158 1.00 44.15 ATOM 955 C PRO 60 -4.286 -29.850 33.723 1.00 13.44 ATOM 956 O PRO 60 -5.496 -29.824 33.503 1.00 74.21 ATOM 957 N GLY 61 -3.662 -30.919 34.208 1.00 44.22 ATOM 958 HN GLY 61 -2.712 -30.889 34.381 1.00 37.19 ATOM 959 CA GLY 61 -4.395 -32.135 34.506 1.00 13.22 ATOM 960 HA1 GLY 61 -5.462 -31.950 34.510 1.00 37.19 ATOM 961 HA2 GLY 61 -4.106 -32.471 35.491 1.00 55.34 ATOM 962 C GLY 61 -4.099 -33.247 33.520 1.00 74.21 ATOM 963 O GLY 61 -4.864 -34.206 33.405 1.00 51.32 ATOM 964 N THR 62 -2.987 -33.121 32.804 1.00 44.45 ATOM 965 HN THR 62 -2.410 -32.338 32.917 1.00 37.19 ATOM 966 CA THR 62 -2.593 -34.121 31.820 1.00 61.31 ATOM 967 HA THR 62 -3.415 -34.814 31.670 1.00 64.12 ATOM 968 CB THR 62 -2.265 -33.475 30.461 1.00 41.41 ATOM 969 HB THR 62 -1.332 -32.931 30.542 1.00 61.44 ATOM 970 OG1 THR 62 -3.299 -32.554 30.094 1.00 4.13 ATOM 971 HG1 THR 62 -4.153 -33.001 30.026 1.00 13.34 ATOM 972 CG2 THR 62 -2.115 -34.534 29.379 1.00 14.05 ATOM 973 HG21 THR 62 -1.997 -34.049 28.421 1.00 61.45 ATOM 974 HG22 THR 62 -2.995 -35.162 29.355 1.00 62.14 ATOM 975 HG23 THR 62 -1.245 -35.140 29.580 1.00 52.24 ATOM 976 C THR 62 -1.382 -34.915 32.297 1.00 33.14 ATOM 977 O THR 62 -1.170 -36.054 31.879 1.00 55.43 ATOM 978 N ILE 63 -0.592 -34.308 33.176 1.00 45.12 ATOM 979 HN ILE 63 -0.793 -33.399 33.481 1.00 37.19 ATOM 980 CA ILE 63 0.597 -34.960 33.711 1.00 1.13 ATOM 981 HA ILE 63 0.941 -35.700 32.993 1.00 40.35 ATOM 982 CB ILE 63 1.741 -33.952 33.932 1.00 72.42 ATOM 983 HB ILE 63 1.411 -33.209 34.645 1.00 55.12 ATOM 984 CG1 ILE 63 2.096 -33.254 32.617 1.00 35.52 ATOM 985 HG11 ILE 63 2.845 -32.499 32.810 1.00 37.19 ATOM 986 HG12 ILE 63 1.216 -32.778 32.209 1.00 43.23 ATOM 987 CG2 ILE 63 2.960 -34.654 34.511 1.00 1.23 ATOM 988 HG21 ILE 63 2.798 -34.845 35.562 1.00 42.42 ATOM 989 HG22 ILE 63 3.835 -34.026 34.403 1.00 64.32 ATOM 990 HG23 ILE 63 3.132 -35.593 34.004 1.00 71.41 ATOM 991 CD1 ILE 63 2.648 -34.191 31.566 1.00 73.23 ATOM 992 HD11 ILE 63 3.390 -33.664 30.985 1.00 73.45 ATOM 993 HD12 ILE 63 1.847 -34.500 30.913 1.00 4.11 ATOM 994 HD13 ILE 63 3.101 -35.065 32.002 1.00 60.42 ATOM 995 C ILE 63 0.292 -35.662 35.030 1.00 71.20 ATOM 996 O ILE 63 0.077 -35.014 36.054 1.00 61.32 ATOM 997 N GLU 64 0.276 -36.991 34.997 1.00 63.12 ATOM 998 HN GLU 64 0.465 -37.457 34.148 1.00 37.19 ATOM 999 CA GLU 64 -0.002 -37.781 36.191 1.00 65.15 ATOM 1000 HA GLU 64 -0.855 -37.347 36.698 1.00 4.21 ATOM 1001 CB GLU 64 -0.344 -39.222 35.807 1.00 35.10 ATOM 1002 HB1 GLU 64 0.482 -39.642 35.251 1.00 37.19 ATOM 1003 HB2 GLU 64 -1.221 -39.206 35.173 1.00 35.23 ATOM 1004 CG GLU 64 -0.623 -40.120 37.001 1.00 40.12 ATOM 1005 HG1 GLU 64 -1.306 -39.615 37.672 1.00 37.19 ATOM 1006 HG2 GLU 64 0.306 -40.316 37.516 1.00 53.41 ATOM 1007 CD GLU 64 -1.239 -41.447 36.602 1.00 52.31 ATOM 1008 OE1 GLU 64 -0.564 -42.486 36.757 1.00 51.55 ATOM 1009 OE2 GLU 64 -2.398 -41.445 36.135 1.00 63.50 ATOM 1010 C GLU 64 1.191 -37.767 37.142 1.00 2.43 ATOM 1011 O GLU 64 1.042 -37.522 38.340 1.00 41.53 ATOM 1012 N LYS 65 2.375 -38.032 36.601 1.00 5.43 ATOM 1013 HN LYS 65 2.434 -38.242 35.638 1.00 37.19 ATOM 1014 CA LYS 65 3.595 -38.049 37.400 1.00 63.01 ATOM 1015 HA LYS 65 3.467 -37.383 38.247 1.00 51.53 ATOM 1016 CB LYS 65 3.866 -39.461 37.925 1.00 15.20 ATOM 1017 HB1 LYS 65 3.794 -40.157 37.101 1.00 37.19 ATOM 1018 HB2 LYS 65 3.102 -39.703 38.652 1.00 62.12 ATOM 1019 CG LYS 65 5.234 -39.621 38.564 1.00 44.45 ATOM 1020 HG1 LYS 65 5.546 -38.683 39.000 1.00 37.19 ATOM 1021 HG2 LYS 65 5.938 -39.913 37.798 1.00 64.34 ATOM 1022 CD LYS 65 5.218 -40.669 39.664 1.00 53.44 ATOM 1023 HD1 LYS 65 4.620 -41.516 39.350 1.00 37.19 ATOM 1024 HD2 LYS 65 4.789 -40.235 40.554 1.00 24.54 ATOM 1025 CE LYS 65 6.620 -41.160 39.986 1.00 23.53 ATOM 1026 HE1 LYS 65 6.979 -41.740 39.152 1.00 37.19 ATOM 1027 HE2 LYS 65 6.573 -41.787 40.865 1.00 33.03 ATOM 1028 NZ LYS 65 7.557 -40.033 40.247 1.00 2.30 ATOM 1029 HZ1 LYS 65 7.759 -39.514 39.370 1.00 61.43 ATOM 1030 HZ2 LYS 65 8.453 -40.401 40.624 1.00 2.04 ATOM 1031 HZ3 LYS 65 7.152 -39.373 40.945 1.00 42.30 ATOM 1032 C LYS 65 4.788 -37.562 36.582 1.00 33.45 ATOM 1033 O LYS 65 4.866 -37.802 35.377 1.00 23.05 ATOM 1034 N VAL 66 5.715 -36.879 37.246 1.00 51.01 ATOM 1035 HN VAL 66 5.591 -36.692 38.206 1.00 37.19 ATOM 1036 CA VAL 66 6.905 -36.361 36.581 1.00 32.12 ATOM 1037 HA VAL 66 7.014 -36.859 35.621 1.00 73.33 ATOM 1038 CB VAL 66 6.794 -34.845 36.333 1.00 2.15 ATOM 1039 HB VAL 66 5.799 -34.629 35.972 1.00 34.14 ATOM 1040 CG1 VAL 66 7.008 -34.075 37.628 1.00 75.30 ATOM 1041 HG11 VAL 66 8.061 -33.913 37.795 1.00 24.40 ATOM 1042 HG12 VAL 66 6.589 -34.619 38.465 1.00 60.04 ATOM 1043 HG13 VAL 66 6.514 -33.117 37.551 1.00 13.33 ATOM 1044 CG2 VAL 66 7.791 -34.405 35.272 1.00 53.04 ATOM 1045 HG21 VAL 66 7.783 -35.094 34.443 1.00 51.03 ATOM 1046 HG22 VAL 66 8.786 -34.363 35.691 1.00 40.32 ATOM 1047 HG23 VAL 66 7.522 -33.428 34.932 1.00 73.15 ATOM 1048 C VAL 66 8.159 -36.641 37.402 1.00 14.21 ATOM 1049 O VAL 66 8.081 -36.903 38.603 1.00 65.34 ATOM 1050 N TYR 67 9.313 -36.582 36.747 1.00 32.34 ATOM 1051 HN TYR 67 9.322 -36.414 35.780 1.00 37.19 ATOM 1052 CA TYR 67 10.584 -36.831 37.416 1.00 23.21 ATOM 1053 HA TYR 67 10.403 -37.203 38.409 1.00 35.11 ATOM 1054 CB TYR 67 11.383 -37.893 36.659 1.00 23.41 ATOM 1055 HB1 TYR 67 12.342 -38.029 37.144 1.00 37.19 ATOM 1056 HB2 TYR 67 11.549 -37.556 35.647 1.00 3.41 ATOM 1057 CG TYR 67 10.703 -39.243 36.612 1.00 64.02 ATOM 1058 CD1 TYR 67 10.761 -40.033 35.470 1.00 3.41 ATOM 1059 HD1 TYR 67 11.295 -39.670 34.614 1.00 31.10 ATOM 1060 CD2 TYR 67 10.004 -39.729 37.709 1.00 14.05 ATOM 1061 HD2 TYR 67 9.946 -39.144 38.612 1.00 53.13 ATOM 1062 CE1 TYR 67 10.141 -41.266 35.422 1.00 12.13 ATOM 1063 HE1 TYR 67 10.198 -41.870 34.535 1.00 12.23 ATOM 1064 CE2 TYR 67 9.381 -40.962 37.671 1.00 3.22 ATOM 1065 HE2 TYR 67 8.861 -41.326 38.528 1.00 52.35 ATOM 1066 CZ TYR 67 9.452 -41.726 36.525 1.00 24.23 ATOM 1067 OH TYR 67 8.834 -42.955 36.482 1.00 1.21 ATOM 1068 HH TYR 67 7.881 -42.840 36.423 1.00 21.10 ATOM 1069 C TYR 67 11.402 -35.548 37.528 1.00 55.31 ATOM 1070 O TYR 67 12.298 -35.280 36.727 1.00 32.13 ATOM 1071 N PRO 68 11.086 -34.734 38.546 1.00 1.41 ATOM 1072 CA PRO 68 11.779 -33.465 38.789 1.00 1.12 ATOM 1073 HA PRO 68 11.783 -32.847 37.913 1.00 50.11 ATOM 1074 CB PRO 68 10.938 -32.806 39.885 1.00 10.41 ATOM 1075 HB1 PRO 68 10.208 -32.154 39.430 1.00 37.19 ATOM 1076 HB2 PRO 68 11.563 -32.232 40.559 1.00 44.45 ATOM 1077 CG PRO 68 10.275 -33.940 40.587 1.00 13.44 ATOM 1078 HG1 PRO 68 9.339 -33.611 41.014 1.00 37.19 ATOM 1079 HG2 PRO 68 10.926 -34.326 41.358 1.00 4.44 ATOM 1080 CD PRO 68 10.029 -34.989 39.539 1.00 60.20 ATOM 1081 HD1 PRO 68 9.064 -34.852 39.125 1.00 37.19 ATOM 1082 HD2 PRO 68 10.123 -35.970 39.976 1.00 23.23 ATOM 1083 C PRO 68 13.212 -33.670 39.268 1.00 2.42 ATOM 1084 O PRO 68 14.045 -32.770 39.164 1.00 11.32 ATOM 1085 N GLU 69 13.492 -34.859 39.793 1.00 51.34 ATOM 1086 HN GLU 69 12.788 -35.537 39.890 1.00 37.19 ATOM 1087 CA GLU 69 14.825 -35.180 40.288 1.00 44.13 ATOM 1088 HA GLU 69 15.532 -34.448 39.920 1.00 42.23 ATOM 1089 CB GLU 69 14.853 -35.126 41.817 1.00 75.14 ATOM 1090 HB1 GLU 69 14.768 -34.093 42.124 1.00 37.19 ATOM 1091 HB2 GLU 69 15.803 -35.514 42.169 1.00 61.25 ATOM 1092 CG GLU 69 13.725 -35.905 42.473 1.00 23.22 ATOM 1093 HG1 GLU 69 13.582 -36.847 41.967 1.00 37.19 ATOM 1094 HG2 GLU 69 12.819 -35.323 42.398 1.00 24.22 ATOM 1095 CD GLU 69 13.988 -36.187 43.940 1.00 51.22 ATOM 1096 OE1 GLU 69 13.422 -37.167 44.467 1.00 62.31 ATOM 1097 OE2 GLU 69 14.760 -35.426 44.560 1.00 12.04 ATOM 1098 C GLU 69 15.266 -36.560 39.808 1.00 32.25 ATOM 1099 O GLU 69 15.329 -37.521 40.576 1.00 3.42 ATOM 1100 N PRO 70 15.577 -36.663 38.508 1.00 40.02 ATOM 1101 CA PRO 70 16.017 -37.920 37.896 1.00 32.51 ATOM 1102 HA PRO 70 15.315 -38.715 38.089 1.00 15.52 ATOM 1103 CB PRO 70 16.028 -37.602 36.399 1.00 51.20 ATOM 1104 HB1 PRO 70 15.083 -37.892 35.965 1.00 37.19 ATOM 1105 HB2 PRO 70 16.824 -38.135 35.912 1.00 65.00 ATOM 1106 CG PRO 70 16.219 -36.126 36.327 1.00 31.12 ATOM 1107 HG1 PRO 70 15.772 -35.741 35.422 1.00 37.19 ATOM 1108 HG2 PRO 70 17.273 -35.890 36.356 1.00 32.34 ATOM 1109 CD PRO 70 15.524 -35.559 37.534 1.00 21.44 ATOM 1110 HD1 PRO 70 14.512 -35.299 37.299 1.00 37.19 ATOM 1111 HD2 PRO 70 16.062 -34.696 37.894 1.00 3.13 ATOM 1112 C PRO 70 17.408 -38.337 38.362 1.00 14.34 ATOM 1113 O PRO 70 18.288 -37.496 38.547 1.00 61.34 ATOM 1114 N ARG 71 17.598 -39.638 38.551 1.00 25.32 ATOM 1115 HN ARG 71 16.849 -40.262 38.420 1.00 37.19 ATOM 1116 CA ARG 71 18.883 -40.165 38.997 1.00 74.51 ATOM 1117 HA ARG 71 19.565 -39.339 39.167 1.00 13.21 ATOM 1118 CB ARG 71 18.713 -40.944 40.303 1.00 71.03 ATOM 1119 HB1 ARG 71 18.478 -41.978 40.082 1.00 37.19 ATOM 1120 HB2 ARG 71 17.884 -40.523 40.860 1.00 13.45 ATOM 1121 CG ARG 71 19.947 -40.923 41.189 1.00 24.02 ATOM 1122 HG1 ARG 71 20.831 -41.070 40.583 1.00 37.19 ATOM 1123 HG2 ARG 71 19.870 -41.724 41.909 1.00 14.00 ATOM 1124 CD ARG 71 20.073 -39.606 41.938 1.00 1.51 ATOM 1125 HD1 ARG 71 19.158 -39.420 42.485 1.00 37.19 ATOM 1126 HD2 ARG 71 20.224 -38.820 41.211 1.00 34.33 ATOM 1127 NE ARG 71 21.191 -39.615 42.878 1.00 50.41 ATOM 1128 HE ARG 71 21.593 -40.485 43.108 1.00 62.11 ATOM 1129 CZ ARG 71 21.688 -38.518 43.440 1.00 73.23 ATOM 1130 NH1 ARG 71 21.168 -37.331 43.158 1.00 31.43 ATOM 1131 HH11 ARG 71 20.401 -37.232 42.529 1.00 33.03 ATOM 1132 HH12 ARG 71 21.552 -36.510 43.585 1.00 60.43 ATOM 1133 NH2 ARG 71 22.706 -38.608 44.285 1.00 2.25 ATOM 1134 HH21 ARG 71 23.103 -39.502 44.502 1.00 15.22 ATOM 1135 HH22 ARG 71 23.083 -37.782 44.710 1.00 64.24 ATOM 1136 C ARG 71 19.500 -41.067 37.931 1.00 13.33 ATOM 1137 O ARG 71 20.716 -41.248 37.886 1.00 44.53 ATOM 1138 N SER 72 18.652 -41.630 37.077 1.00 52.04 ATOM 1139 HN SER 72 17.690 -41.474 37.150 1.00 37.19 ATOM 1140 CA SER 72 19.113 -42.516 36.014 1.00 0.12 ATOM 1141 HA SER 72 20.187 -42.636 36.084 1.00 52.30 ATOM 1142 CB SER 72 18.467 -43.896 36.155 1.00 1.44 ATOM 1143 HB1 SER 72 18.823 -44.554 35.376 1.00 37.19 ATOM 1144 HB2 SER 72 17.394 -43.800 36.080 1.00 23.52 ATOM 1145 OG SER 72 18.779 -44.479 37.409 1.00 42.05 ATOM 1146 HG SER 72 19.660 -44.862 37.378 1.00 75.24 ATOM 1147 C SER 72 18.794 -41.931 34.642 1.00 51.51 ATOM 1148 O SER 72 18.281 -40.817 34.535 1.00 45.02 ATOM 1149 N GLU 73 19.101 -42.690 33.595 1.00 25.33 ATOM 1150 HN GLU 73 19.529 -43.566 33.734 1.00 37.19 ATOM 1151 CA GLU 73 18.848 -42.247 32.229 1.00 4.34 ATOM 1152 HA GLU 73 19.064 -41.185 32.174 1.00 32.34 ATOM 1153 CB GLU 73 19.757 -42.993 31.251 1.00 62.05 ATOM 1154 HB1 GLU 73 19.300 -43.934 30.970 1.00 37.19 ATOM 1155 HB2 GLU 73 20.698 -43.202 31.745 1.00 35.42 ATOM 1156 CG GLU 73 20.061 -42.210 29.984 1.00 32.21 ATOM 1157 HG1 GLU 73 20.510 -41.266 30.259 1.00 37.19 ATOM 1158 HG2 GLU 73 19.136 -42.028 29.458 1.00 34.40 ATOM 1159 CD GLU 73 21.008 -42.946 29.057 1.00 43.25 ATOM 1160 OE1 GLU 73 22.206 -42.594 29.032 1.00 3.52 ATOM 1161 OE2 GLU 73 20.552 -43.873 28.355 1.00 4.22 ATOM 1162 C GLU 73 17.386 -42.463 31.849 1.00 25.12 ATOM 1163 O GLU 73 16.770 -41.615 31.204 1.00 71.43 ATOM 1164 N SER 74 16.839 -43.604 32.254 1.00 74.52 ATOM 1165 HN SER 74 17.385 -44.254 32.756 1.00 37.19 ATOM 1166 CA SER 74 15.451 -43.935 31.952 1.00 32.43 ATOM 1167 HA SER 74 15.360 -44.048 30.881 1.00 65.21 ATOM 1168 CB SER 74 15.061 -45.254 32.624 1.00 42.33 ATOM 1169 HB1 SER 74 14.744 -45.078 33.644 1.00 37.19 ATOM 1170 HB2 SER 74 15.915 -45.919 32.631 1.00 43.02 ATOM 1171 OG SER 74 14.008 -45.892 31.922 1.00 3.20 ATOM 1172 HG SER 74 14.361 -46.350 31.154 1.00 72.22 ATOM 1173 C SER 74 14.515 -42.822 32.411 1.00 13.45 ATOM 1174 O SER 74 13.636 -42.389 31.667 1.00 40.04 ATOM 1175 N GLU 75 14.711 -42.363 33.644 1.00 53.33 ATOM 1176 HN GLU 75 15.431 -42.751 34.197 1.00 37.19 ATOM 1177 CA GLU 75 13.884 -41.300 34.203 1.00 54.01 ATOM 1178 HA GLU 75 12.845 -41.585 34.088 1.00 41.01 ATOM 1179 CB GLU 75 14.195 -41.110 35.689 1.00 53.31 ATOM 1180 HB1 GLU 75 13.957 -40.089 35.965 1.00 37.19 ATOM 1181 HB2 GLU 75 15.253 -41.274 35.851 1.00 62.44 ATOM 1182 CG GLU 75 13.427 -42.055 36.597 1.00 23.45 ATOM 1183 HG1 GLU 75 14.069 -42.887 36.847 1.00 37.19 ATOM 1184 HG2 GLU 75 12.548 -42.425 36.087 1.00 64.44 ATOM 1185 CD GLU 75 12.981 -41.392 37.886 1.00 30.52 ATOM 1186 OE1 GLU 75 12.041 -41.910 38.526 1.00 44.44 ATOM 1187 OE2 GLU 75 13.572 -40.356 38.255 1.00 2.01 ATOM 1188 C GLU 75 14.103 -39.989 33.454 1.00 10.41 ATOM 1189 O GLU 75 13.164 -39.224 33.232 1.00 13.53 ATOM 1190 N CYS 76 15.349 -39.736 33.068 1.00 33.21 ATOM 1191 HN CYS 76 16.066 -40.377 33.286 1.00 37.19 ATOM 1192 CA CYS 76 15.693 -38.517 32.345 1.00 11.23 ATOM 1193 HA CYS 76 15.411 -37.671 32.960 1.00 41.35 ATOM 1194 CB CYS 76 17.197 -38.468 32.073 1.00 1.24 ATOM 1195 HB1 CYS 76 17.398 -37.794 31.249 1.00 37.19 ATOM 1196 HB2 CYS 76 17.549 -39.451 31.813 1.00 61.43 ATOM 1197 SG CYS 76 18.182 -37.894 33.477 1.00 65.13 ATOM 1198 HG CYS 76 19.386 -38.440 33.383 1.00 35.40 ATOM 1199 C CYS 76 14.923 -38.428 31.032 1.00 42.14 ATOM 1200 O CYS 76 14.434 -37.361 30.657 1.00 63.21 ATOM 1201 N LEU 77 14.820 -39.554 30.335 1.00 64.31 ATOM 1202 HN LEU 77 15.232 -40.381 30.681 1.00 37.19 ATOM 1203 CA LEU 77 14.111 -39.604 29.061 1.00 43.01 ATOM 1204 HA LEU 77 14.350 -38.709 28.499 1.00 14.02 ATOM 1205 CB LEU 77 14.561 -40.822 28.252 1.00 52.12 ATOM 1206 HB1 LEU 77 13.900 -40.939 27.399 1.00 37.19 ATOM 1207 HB2 LEU 77 14.438 -41.690 28.889 1.00 61.22 ATOM 1208 CG LEU 77 16.003 -40.795 27.743 1.00 34.03 ATOM 1209 HG LEU 77 16.652 -40.423 28.524 1.00 41.11 ATOM 1210 CD1 LEU 77 16.468 -42.197 27.383 1.00 31.45 ATOM 1211 HD11 LEU 77 15.846 -42.597 26.594 1.00 42.30 ATOM 1212 HD12 LEU 77 16.399 -42.836 28.253 1.00 53.31 ATOM 1213 HD13 LEU 77 17.496 -42.164 27.048 1.00 70.11 ATOM 1214 CD2 LEU 77 16.128 -39.866 26.545 1.00 42.50 ATOM 1215 HD21 LEU 77 15.921 -38.854 26.858 1.00 1.11 ATOM 1216 HD22 LEU 77 15.420 -40.158 25.781 1.00 61.42 ATOM 1217 HD23 LEU 77 17.125 -39.924 26.142 1.00 73.31 ATOM 1218 C LEU 77 12.603 -39.653 29.279 1.00 15.21 ATOM 1219 O LEU 77 11.828 -39.218 28.427 1.00 13.12 ATOM 1220 N SER 78 12.193 -40.183 30.427 1.00 74.10 ATOM 1221 HN SER 78 12.852 -40.538 31.065 1.00 37.19 ATOM 1222 CA SER 78 10.776 -40.290 30.757 1.00 62.11 ATOM 1223 HA SER 78 10.301 -40.902 30.004 1.00 0.22 ATOM 1224 CB SER 78 10.598 -40.960 32.121 1.00 53.32 ATOM 1225 HB1 SER 78 9.613 -40.744 32.517 1.00 37.19 ATOM 1226 HB2 SER 78 11.340 -40.596 32.800 1.00 21.05 ATOM 1227 OG SER 78 10.735 -42.366 32.020 1.00 22.53 ATOM 1228 HG SER 78 11.667 -42.600 31.992 1.00 0.24 ATOM 1229 C SER 78 10.114 -38.916 30.762 1.00 43.51 ATOM 1230 O SER 78 9.004 -38.747 30.259 1.00 22.42 ATOM 1231 N ASN 79 10.805 -37.935 31.335 1.00 62.15 ATOM 1232 HN ASN 79 11.684 -38.131 31.739 1.00 37.19 ATOM 1233 CA ASN 79 10.285 -36.574 31.406 1.00 22.54 ATOM 1234 HA ASN 79 9.419 -36.582 32.054 1.00 73.12 ATOM 1235 CB ASN 79 11.345 -35.631 31.978 1.00 43.44 ATOM 1236 HB1 ASN 79 11.078 -34.628 31.730 1.00 37.19 ATOM 1237 HB2 ASN 79 12.302 -35.868 31.546 1.00 42.24 ATOM 1238 CG ASN 79 11.443 -35.718 33.488 1.00 4.24 ATOM 1239 OD1 ASN 79 10.456 -35.989 34.171 1.00 35.21 ATOM 1240 ND2 ASN 79 12.639 -35.487 34.018 1.00 62.12 ATOM 1241 HD21 ASN 79 13.393 -35.273 33.423 1.00 70.53 ATOM 1242 HD22 ASN 79 12.724 -35.541 34.991 1.00 2.41 ATOM 1243 C ASN 79 9.843 -36.088 30.030 1.00 44.53 ATOM 1244 O ASN 79 8.774 -35.495 29.884 1.00 73.34 ATOM 1245 N ILE 80 10.674 -36.342 29.024 1.00 55.31 ATOM 1246 HN ILE 80 11.516 -36.825 29.199 1.00 37.19 ATOM 1247 CA ILE 80 10.368 -35.931 27.659 1.00 13.02 ATOM 1248 HA ILE 80 10.080 -34.885 27.674 1.00 4.01 ATOM 1249 CB ILE 80 11.594 -36.079 26.739 1.00 55.33 ATOM 1250 HB ILE 80 11.876 -37.118 26.735 1.00 25.52 ATOM 1251 CG1 ILE 80 12.760 -35.242 27.268 1.00 10.01 ATOM 1252 HG11 ILE 80 12.829 -35.333 28.343 1.00 37.19 ATOM 1253 HG12 ILE 80 12.611 -34.207 27.017 1.00 15.43 ATOM 1254 CG2 ILE 80 11.241 -35.667 25.317 1.00 2.42 ATOM 1255 HG21 ILE 80 10.668 -34.748 25.328 1.00 10.02 ATOM 1256 HG22 ILE 80 10.664 -36.443 24.853 1.00 44.12 ATOM 1257 HG23 ILE 80 12.138 -35.512 24.744 1.00 15.40 ATOM 1258 CD1 ILE 80 14.102 -35.652 26.704 1.00 5.23 ATOM 1259 HD11 ILE 80 14.075 -35.623 25.626 1.00 13.04 ATOM 1260 HD12 ILE 80 14.336 -36.655 27.029 1.00 32.44 ATOM 1261 HD13 ILE 80 14.863 -34.974 27.062 1.00 34.24 ATOM 1262 C ILE 80 9.214 -36.746 27.085 1.00 32.23 ATOM 1263 O ILE 80 8.279 -36.194 26.504 1.00 21.34 ATOM 1264 N ARG 81 9.285 -38.063 27.254 1.00 42.53 ATOM 1265 HN ARG 81 10.065 -38.450 27.720 1.00 37.19 ATOM 1266 CA ARG 81 8.246 -38.954 26.753 1.00 22.31 ATOM 1267 HA ARG 81 8.265 -38.919 25.675 1.00 13.42 ATOM 1268 CB ARG 81 8.513 -40.390 27.209 1.00 2.12 ATOM 1269 HB1 ARG 81 7.657 -41.003 26.948 1.00 37.19 ATOM 1270 HB2 ARG 81 8.633 -40.395 28.283 1.00 64.21 ATOM 1271 CG ARG 81 9.757 -41.005 26.589 1.00 5.53 ATOM 1272 HG1 ARG 81 10.613 -40.731 27.176 1.00 37.19 ATOM 1273 HG2 ARG 81 9.880 -40.639 25.578 1.00 12.21 ATOM 1274 CD ARG 81 9.665 -42.522 26.543 1.00 43.33 ATOM 1275 HD1 ARG 81 10.496 -42.890 25.956 1.00 37.19 ATOM 1276 HD2 ARG 81 8.736 -42.810 26.068 1.00 63.21 ATOM 1277 NE ARG 81 9.724 -43.115 27.876 1.00 14.20 ATOM 1278 HE ARG 81 9.670 -42.512 28.652 1.00 50.44 ATOM 1279 CZ ARG 81 9.841 -44.420 28.095 1.00 4.45 ATOM 1280 NH1 ARG 81 9.914 -45.263 27.075 1.00 55.10 ATOM 1281 HH11 ARG 81 9.882 -44.943 26.130 1.00 71.42 ATOM 1282 HH12 ARG 81 10.004 -46.246 27.251 1.00 44.10 ATOM 1283 NH2 ARG 81 9.888 -44.883 29.338 1.00 73.11 ATOM 1284 HH21 ARG 81 9.835 -44.250 30.113 1.00 72.32 ATOM 1285 HH22 ARG 81 9.976 -45.867 29.506 1.00 22.00 ATOM 1286 C ARG 81 6.868 -38.506 27.230 1.00 2.54 ATOM 1287 O ARG 81 5.934 -38.390 26.438 1.00 41.22 ATOM 1288 N GLU 82 6.750 -38.255 28.531 1.00 64.23 ATOM 1289 HN GLU 82 7.536 -38.376 29.116 1.00 37.19 ATOM 1290 CA GLU 82 5.486 -37.821 29.113 1.00 40.32 ATOM 1291 HA GLU 82 4.780 -38.632 29.000 1.00 1.35 ATOM 1292 CB GLU 82 5.668 -37.491 30.596 1.00 45.33 ATOM 1293 HB1 GLU 82 5.490 -36.443 30.752 1.00 37.19 ATOM 1294 HB2 GLU 82 6.681 -37.713 30.903 1.00 32.15 ATOM 1295 CG GLU 82 4.724 -38.253 31.510 1.00 60.34 ATOM 1296 HG1 GLU 82 3.706 -38.055 31.206 1.00 37.19 ATOM 1297 HG2 GLU 82 4.869 -37.908 32.523 1.00 33.14 ATOM 1298 CD GLU 82 4.959 -39.751 31.473 1.00 43.10 ATOM 1299 OE1 GLU 82 6.063 -40.169 31.066 1.00 42.12 ATOM 1300 OE2 GLU 82 4.039 -40.505 31.852 1.00 15.22 ATOM 1301 C GLU 82 4.936 -36.604 28.374 1.00 64.13 ATOM 1302 O GLU 82 3.785 -36.597 27.936 1.00 24.04 ATOM 1303 N PHE 83 5.767 -35.576 28.238 1.00 5.05 ATOM 1304 HN PHE 83 6.679 -35.641 28.612 1.00 37.19 ATOM 1305 CA PHE 83 5.365 -34.353 27.554 1.00 4.31 ATOM 1306 HA PHE 83 4.576 -33.892 28.130 1.00 64.33 ATOM 1307 CB PHE 83 6.545 -33.382 27.465 1.00 54.12 ATOM 1308 HB1 PHE 83 7.399 -33.907 27.055 1.00 37.19 ATOM 1309 HB2 PHE 83 6.791 -33.041 28.462 1.00 15.20 ATOM 1310 CG PHE 83 6.265 -32.176 26.614 1.00 2.12 ATOM 1311 CD1 PHE 83 6.836 -32.051 25.358 1.00 54.42 ATOM 1312 HD1 PHE 83 7.488 -32.830 24.987 1.00 11.31 ATOM 1313 CD2 PHE 83 5.432 -31.167 27.071 1.00 25.24 ATOM 1314 HD2 PHE 83 4.982 -31.254 28.048 1.00 55.45 ATOM 1315 CE1 PHE 83 6.580 -30.942 24.572 1.00 22.33 ATOM 1316 HE1 PHE 83 7.031 -30.856 23.595 1.00 20.31 ATOM 1317 CE2 PHE 83 5.173 -30.057 26.290 1.00 1.13 ATOM 1318 HE2 PHE 83 4.527 -29.281 26.665 1.00 32.32 ATOM 1319 CZ PHE 83 5.749 -29.944 25.040 1.00 53.32 ATOM 1320 HZ PHE 83 5.559 -29.085 24.425 1.00 63.45 ATOM 1321 C PHE 83 4.838 -34.660 26.156 1.00 62.15 ATOM 1322 O PHE 83 3.853 -34.072 25.708 1.00 51.03 ATOM 1323 N LEU 84 5.501 -35.585 25.470 1.00 3.11 ATOM 1324 HN LEU 84 6.284 -36.025 25.877 1.00 37.19 ATOM 1325 CA LEU 84 5.101 -35.971 24.122 1.00 70.45 ATOM 1326 HA LEU 84 4.911 -35.071 23.550 1.00 71.32 ATOM 1327 CB LEU 84 6.224 -36.754 23.440 1.00 63.54 ATOM 1328 HB1 LEU 84 5.917 -36.979 22.425 1.00 37.19 ATOM 1329 HB2 LEU 84 6.333 -37.695 23.972 1.00 53.25 ATOM 1330 CG LEU 84 7.591 -36.070 23.398 1.00 12.54 ATOM 1331 HG LEU 84 7.779 -35.576 24.334 1.00 30.42 ATOM 1332 CD1 LEU 84 8.695 -37.094 23.187 1.00 51.44 ATOM 1333 HD11 LEU 84 8.384 -37.834 22.466 1.00 52.52 ATOM 1334 HD12 LEU 84 8.901 -37.584 24.124 1.00 53.13 ATOM 1335 HD13 LEU 84 9.600 -36.610 22.841 1.00 42.51 ATOM 1336 CD2 LEU 84 7.625 -35.012 22.305 1.00 75.14 ATOM 1337 HD21 LEU 84 6.730 -35.048 21.706 1.00 44.45 ATOM 1338 HD22 LEU 84 8.480 -35.165 21.672 1.00 21.22 ATOM 1339 HD23 LEU 84 7.697 -34.038 22.766 1.00 31.10 ATOM 1340 C LEU 84 3.827 -36.809 24.151 1.00 73.22 ATOM 1341 O LEU 84 3.068 -36.837 23.182 1.00 61.24 ATOM 1342 N ARG 85 3.597 -37.489 25.270 1.00 41.24 ATOM 1343 HN ARG 85 4.247 -37.460 25.998 1.00 37.19 ATOM 1344 CA ARG 85 2.414 -38.326 25.426 1.00 61.44 ATOM 1345 HA ARG 85 2.278 -38.889 24.508 1.00 0.23 ATOM 1346 CB ARG 85 2.604 -39.302 26.589 1.00 74.04 ATOM 1347 HB1 ARG 85 2.277 -38.843 27.514 1.00 37.19 ATOM 1348 HB2 ARG 85 3.661 -39.530 26.675 1.00 5.11 ATOM 1349 CG ARG 85 1.852 -40.611 26.414 1.00 71.53 ATOM 1350 HG1 ARG 85 2.029 -40.991 25.416 1.00 37.19 ATOM 1351 HG2 ARG 85 0.795 -40.429 26.546 1.00 3.52 ATOM 1352 CD ARG 85 2.310 -41.656 27.420 1.00 42.42 ATOM 1353 HD1 ARG 85 3.367 -41.533 27.623 1.00 37.19 ATOM 1354 HD2 ARG 85 2.146 -42.634 26.989 1.00 71.55 ATOM 1355 NE ARG 85 1.570 -41.568 28.675 1.00 13.25 ATOM 1356 HE ARG 85 0.923 -40.831 28.779 1.00 2.12 ATOM 1357 CZ ARG 85 1.722 -42.423 29.680 1.00 24.41 ATOM 1358 NH1 ARG 85 2.585 -43.425 29.577 1.00 74.33 ATOM 1359 HH11 ARG 85 3.133 -43.557 28.752 1.00 71.21 ATOM 1360 HH12 ARG 85 2.694 -44.066 30.340 1.00 15.51 ATOM 1361 NH2 ARG 85 1.012 -42.277 30.791 1.00 21.43 ATOM 1362 HH21 ARG 85 0.359 -41.522 30.876 1.00 63.20 ATOM 1363 HH22 ARG 85 1.125 -42.921 31.550 1.00 55.25 ATOM 1364 C ARG 85 1.171 -37.473 25.661 1.00 60.33 ATOM 1365 O ARG 85 0.063 -37.857 25.289 1.00 32.11 ATOM 1366 N GLY 86 1.364 -36.313 26.281 1.00 21.23 ATOM 1367 HN GLY 86 2.261 -36.049 26.580 1.00 37.19 ATOM 1368 CA GLY 86 0.250 -35.424 26.556 1.00 63.50 ATOM 1369 HA1 GLY 86 0.518 -34.784 27.370 1.00 37.19 ATOM 1370 HA2 GLY 86 -0.617 -36.005 26.849 1.00 55.40 ATOM 1371 C GLY 86 -0.116 -34.568 25.361 1.00 52.45 ATOM 1372 O GLY 86 -1.261 -34.582 24.905 1.00 4.05 ATOM 1373 N CYS 87 0.856 -33.818 24.852 1.00 74.43 ATOM 1374 HN CYS 87 1.754 -33.848 25.263 1.00 37.19 ATOM 1375 CA CYS 87 0.629 -32.949 23.703 1.00 53.22 ATOM 1376 HA CYS 87 -0.091 -32.195 23.992 1.00 11.31 ATOM 1377 CB CYS 87 1.935 -32.272 23.283 1.00 34.41 ATOM 1378 HB1 CYS 87 1.869 -31.954 22.250 1.00 37.19 ATOM 1379 HB2 CYS 87 2.749 -32.976 23.380 1.00 42.42 ATOM 1380 SG CYS 87 2.359 -30.813 24.263 1.00 35.54 ATOM 1381 HG CYS 87 1.230 -30.218 24.621 1.00 61.21 ATOM 1382 C CYS 87 0.050 -33.735 22.531 1.00 31.54 ATOM 1383 O CYS 87 -0.795 -33.234 21.791 1.00 72.41 ATOM 1384 N GLY 88 0.513 -34.971 22.369 1.00 74.43 ATOM 1385 HN GLY 88 1.201 -35.329 22.972 1.00 37.19 ATOM 1386 CA GLY 88 0.031 -35.807 21.284 1.00 2.02 ATOM 1387 HA1 GLY 88 0.794 -36.535 21.050 1.00 37.19 ATOM 1388 HA2 GLY 88 -0.146 -35.201 20.404 1.00 4.42 ATOM 1389 C GLY 88 -1.243 -36.545 21.643 1.00 73.01 ATOM 1390 O GLY 88 -1.834 -37.221 20.802 1.00 74.42 ATOM 1391 N ALA 89 -1.667 -36.416 22.896 1.00 71.51 ATOM 1392 HN ALA 89 -1.168 -35.882 23.527 1.00 37.19 ATOM 1393 CA ALA 89 -2.880 -37.076 23.364 1.00 64.42 ATOM 1394 HA ALA 89 -2.995 -38.015 22.833 1.00 73.24 ATOM 1395 CB ALA 89 -2.766 -37.399 24.846 1.00 32.34 ATOM 1396 HB1 ALA 89 -3.751 -37.530 25.277 1.00 31.14 ATOM 1397 HB2 ALA 89 -2.255 -36.609 25.364 1.00 72.03 ATOM 1398 HB3 ALA 89 -2.216 -38.318 24.962 1.00 41.42 ATOM 1399 C ALA 89 -4.110 -36.215 23.101 1.00 40.13 ATOM 1400 O ALA 89 -4.973 -36.577 22.301 1.00 13.42 ATOM 1401 N SER 90 -4.184 -35.074 23.779 1.00 70.12 ATOM 1402 HN SER 90 -3.449 -34.821 24.388 1.00 37.19 ATOM 1403 CA SER 90 -5.312 -34.163 23.621 1.00 24.04 ATOM 1404 HA SER 90 -6.222 -34.748 23.556 1.00 61.01 ATOM 1405 CB SER 90 -5.417 -33.234 24.832 1.00 21.03 ATOM 1406 HB1 SER 90 -4.497 -32.680 24.947 1.00 37.19 ATOM 1407 HB2 SER 90 -5.590 -33.826 25.718 1.00 34.15 ATOM 1408 OG SER 90 -6.490 -32.321 24.683 1.00 73.01 ATOM 1409 HG SER 90 -6.193 -31.549 24.194 1.00 21.42 ATOM 1410 C SER 90 -5.170 -33.339 22.345 1.00 74.41 ATOM 1411 O SER 90 -5.981 -33.455 21.424 1.00 25.33 ATOM 1412 N LEU 91 -4.136 -32.507 22.297 1.00 31.20 ATOM 1413 HN LEU 91 -3.508 -32.472 23.056 1.00 37.19 ATOM 1414 CA LEU 91 -3.887 -31.663 21.134 1.00 43.31 ATOM 1415 HA LEU 91 -4.781 -31.082 20.941 1.00 44.11 ATOM 1416 CB LEU 91 -2.719 -30.713 21.409 1.00 33.41 ATOM 1417 HB1 LEU 91 -2.185 -30.546 20.481 1.00 37.19 ATOM 1418 HB2 LEU 91 -2.041 -31.209 22.091 1.00 21.14 ATOM 1419 CG LEU 91 -3.087 -29.351 21.998 1.00 24.15 ATOM 1420 HG LEU 91 -3.945 -29.458 22.649 1.00 15.45 ATOM 1421 CD1 LEU 91 -1.940 -28.804 22.834 1.00 22.55 ATOM 1422 HD11 LEU 91 -1.092 -28.592 22.205 1.00 13.32 ATOM 1423 HD12 LEU 91 -1.657 -29.529 23.586 1.00 65.42 ATOM 1424 HD13 LEU 91 -2.257 -27.894 23.323 1.00 12.32 ATOM 1425 CD2 LEU 91 -3.456 -28.373 20.892 1.00 20.54 ATOM 1426 HD21 LEU 91 -3.546 -27.371 21.292 1.00 15.50 ATOM 1427 HD22 LEU 91 -4.400 -28.668 20.458 1.00 2.14 ATOM 1428 HD23 LEU 91 -2.694 -28.393 20.131 1.00 3.13 ATOM 1429 C LEU 91 -3.589 -32.509 19.900 1.00 21.13 ATOM 1430 O LEU 91 -3.946 -32.140 18.781 1.00 21.23 ATOM 1431 N ARG 92 -2.935 -33.646 20.113 1.00 23.21 ATOM 1432 HN ARG 92 -2.653 -33.894 21.020 1.00 37.19 ATOM 1433 CA ARG 92 -2.590 -34.546 19.019 1.00 41.43 ATOM 1434 HA ARG 92 -2.058 -35.376 19.421 1.00 33.34 ATOM 1435 CB ARG 92 -3.858 -35.056 18.331 1.00 44.30 ATOM 1436 HB1 ARG 92 -3.575 -35.763 17.563 1.00 37.19 ATOM 1437 HB2 ARG 92 -4.372 -34.228 17.865 1.00 23.41 ATOM 1438 CG ARG 92 -4.822 -35.756 19.274 1.00 54.11 ATOM 1439 HG1 ARG 92 -5.003 -35.134 20.131 1.00 37.19 ATOM 1440 HG2 ARG 92 -4.381 -36.688 19.594 1.00 73.43 ATOM 1441 CD ARG 92 -6.149 -36.053 18.593 1.00 34.24 ATOM 1442 HD1 ARG 92 -6.521 -35.151 18.124 1.00 37.19 ATOM 1443 HD2 ARG 92 -6.853 -36.377 19.347 1.00 50.41 ATOM 1444 NE ARG 92 -6.024 -37.100 17.583 1.00 43.14 ATOM 1445 HE ARG 92 -5.123 -37.454 17.393 1.00 22.43 ATOM 1446 CZ ARG 92 -7.054 -37.597 16.908 1.00 71.15 ATOM 1447 NH1 ARG 92 -8.280 -37.145 17.134 1.00 3.11 ATOM 1448 HH11 ARG 92 -8.454 -36.429 17.809 1.00 32.52 ATOM 1449 HH12 ARG 92 -9.052 -37.526 16.620 1.00 63.25 ATOM 1450 NH2 ARG 92 -6.859 -38.548 16.003 1.00 34.31 ATOM 1451 HH21 ARG 92 -5.935 -38.893 15.826 1.00 2.54 ATOM 1452 HH22 ARG 92 -7.635 -38.925 15.492 1.00 53.12 ATOM 1453 C ARG 92 -1.693 -33.846 18.002 1.00 52.43 ATOM 1454 O ARG 92 -1.696 -34.186 16.818 1.00 45.22 ATOM 1455 N LEU 93 -0.928 -32.866 18.471 1.00 61.32 ATOM 1456 HN LEU 93 -0.948 -32.658 19.427 1.00 37.19 ATOM 1457 CA LEU 93 -0.026 -32.117 17.603 1.00 60.44 ATOM 1458 HA LEU 93 -0.561 -31.853 16.699 1.00 73.43 ATOM 1459 CB LEU 93 0.427 -30.830 18.294 1.00 62.23 ATOM 1460 HB1 LEU 93 -0.460 -30.223 18.421 1.00 37.19 ATOM 1461 HB2 LEU 93 1.094 -30.291 17.633 1.00 24.32 ATOM 1462 CG LEU 93 1.091 -31.000 19.661 1.00 71.23 ATOM 1463 HG LEU 93 0.742 -31.902 20.139 1.00 33.53 ATOM 1464 CD1 LEU 93 2.599 -31.127 19.510 1.00 71.02 ATOM 1465 HD11 LEU 93 2.830 -32.129 19.203 1.00 73.51 ATOM 1466 HD12 LEU 93 3.085 -30.934 20.459 1.00 35.13 ATOM 1467 HD13 LEU 93 2.968 -30.426 18.772 1.00 13.31 ATOM 1468 CD2 LEU 93 0.741 -29.833 20.573 1.00 75.45 ATOM 1469 HD21 LEU 93 -0.323 -29.722 20.626 1.00 12.50 ATOM 1470 HD22 LEU 93 1.171 -28.924 20.178 1.00 72.55 ATOM 1471 HD23 LEU 93 1.133 -30.015 21.563 1.00 65.22 ATOM 1472 C LEU 93 1.188 -32.959 17.223 1.00 3.02 ATOM 1473 O LEU 93 1.316 -34.107 17.647 1.00 72.12 ATOM 1474 N GLU 94 2.078 -32.378 16.424 1.00 21.32 ATOM 1475 HN GLU 94 1.931 -31.449 16.138 1.00 37.19 ATOM 1476 CA GLU 94 3.283 -33.075 15.990 1.00 71.45 ATOM 1477 HA GLU 94 2.994 -34.061 15.643 1.00 75.41 ATOM 1478 CB GLU 94 3.941 -32.327 14.829 1.00 42.23 ATOM 1479 HB1 GLU 94 4.676 -32.972 14.371 1.00 37.19 ATOM 1480 HB2 GLU 94 4.437 -31.442 15.207 1.00 71.21 ATOM 1481 CG GLU 94 2.961 -31.886 13.754 1.00 20.54 ATOM 1482 HG1 GLU 94 3.522 -31.556 12.892 1.00 37.19 ATOM 1483 HG2 GLU 94 2.370 -31.065 14.128 1.00 21.13 ATOM 1484 CD GLU 94 2.029 -33.002 13.322 1.00 1.14 ATOM 1485 OE1 GLU 94 0.899 -33.068 13.848 1.00 35.32 ATOM 1486 OE2 GLU 94 2.431 -33.808 12.458 1.00 61.53 ATOM 1487 C GLU 94 4.273 -33.221 17.142 1.00 72.23 ATOM 1488 O GLU 94 4.649 -32.238 17.782 1.00 75.25 ATOM 1489 N THR 95 4.692 -34.456 17.402 1.00 53.13 ATOM 1490 HN THR 95 4.367 -35.209 16.858 1.00 37.19 ATOM 1491 CA THR 95 5.636 -34.732 18.477 1.00 71.00 ATOM 1492 HA THR 95 5.805 -33.828 19.053 1.00 34.25 ATOM 1493 CB THR 95 5.094 -35.807 19.438 1.00 64.43 ATOM 1494 HB THR 95 5.829 -36.026 20.192 1.00 74.22 ATOM 1495 OG1 THR 95 4.811 -37.011 18.716 1.00 61.30 ATOM 1496 HG1 THR 95 4.843 -37.763 19.314 1.00 62.41 ATOM 1497 CG2 THR 95 3.835 -35.322 20.139 1.00 55.14 ATOM 1498 HG21 THR 95 4.057 -34.431 20.708 1.00 60.42 ATOM 1499 HG22 THR 95 3.477 -36.093 20.806 1.00 12.42 ATOM 1500 HG23 THR 95 3.073 -35.101 19.405 1.00 12.34 ATOM 1501 C THR 95 6.980 -35.191 17.924 1.00 61.41 ATOM 1502 O THR 95 7.177 -35.246 16.710 1.00 61.32 ATOM 1503 N PHE 96 7.903 -35.521 18.822 1.00 75.42 ATOM 1504 HN PHE 96 7.713 -35.423 19.766 1.00 37.19 ATOM 1505 CA PHE 96 9.229 -35.976 18.423 1.00 64.31 ATOM 1506 HA PHE 96 9.178 -36.383 17.420 1.00 23.24 ATOM 1507 CB PHE 96 10.215 -34.806 18.427 1.00 63.24 ATOM 1508 HB1 PHE 96 9.837 -34.035 17.769 1.00 37.19 ATOM 1509 HB2 PHE 96 11.168 -35.140 18.053 1.00 70.42 ATOM 1510 CG PHE 96 10.421 -34.200 19.785 1.00 14.42 ATOM 1511 CD1 PHE 96 9.536 -33.254 20.277 1.00 12.31 ATOM 1512 HD1 PHE 96 8.689 -32.973 19.678 1.00 60.41 ATOM 1513 CD2 PHE 96 11.499 -34.575 20.570 1.00 11.03 ATOM 1514 HD2 PHE 96 12.196 -35.303 20.197 1.00 33.22 ATOM 1515 CE1 PHE 96 9.722 -32.694 21.527 1.00 14.31 ATOM 1516 HE1 PHE 96 9.026 -31.960 21.901 1.00 44.02 ATOM 1517 CE2 PHE 96 11.690 -34.019 21.821 1.00 15.11 ATOM 1518 HE2 PHE 96 12.515 -34.329 22.425 1.00 21.41 ATOM 1519 CZ PHE 96 10.801 -33.076 22.300 1.00 74.24 ATOM 1520 HZ PHE 96 10.949 -32.640 23.277 1.00 42.44 ATOM 1521 C PHE 96 9.728 -37.079 19.352 1.00 62.32 ATOM 1522 O PHE 96 9.047 -37.459 20.305 1.00 51.45 ATOM 1523 N ASP 97 10.921 -37.590 19.067 1.00 51.03 ATOM 1524 HN ASP 97 11.425 -37.251 18.290 1.00 37.19 ATOM 1525 CA ASP 97 11.512 -38.649 19.876 1.00 64.21 ATOM 1526 HA ASP 97 10.700 -39.215 20.326 1.00 41.02 ATOM 1527 CB ASP 97 12.339 -39.590 18.998 1.00 43.32 ATOM 1528 HB1 ASP 97 13.340 -39.208 18.894 1.00 37.19 ATOM 1529 HB2 ASP 97 11.886 -39.656 18.019 1.00 13.34 ATOM 1530 CG ASP 97 12.421 -40.992 19.568 1.00 11.00 ATOM 1531 OD1 ASP 97 12.864 -41.904 18.839 1.00 1.40 ATOM 1532 OD2 ASP 97 12.041 -41.178 20.743 1.00 33.02 ATOM 1533 C ASP 97 12.387 -38.065 20.981 1.00 52.11 ATOM 1534 O ASP 97 13.286 -37.268 20.718 1.00 44.42 ATOM 1535 N ALA 98 12.115 -38.466 22.218 1.00 31.53 ATOM 1536 HN ALA 98 11.377 -39.105 22.368 1.00 37.19 ATOM 1537 CA ALA 98 12.877 -37.984 23.363 1.00 41.40 ATOM 1538 HA ALA 98 12.680 -36.937 23.468 1.00 72.12 ATOM 1539 CB ALA 98 12.431 -38.695 24.632 1.00 64.01 ATOM 1540 HB1 ALA 98 13.023 -38.355 25.469 1.00 51.45 ATOM 1541 HB2 ALA 98 12.562 -39.760 24.511 1.00 13.21 ATOM 1542 HB3 ALA 98 11.390 -38.483 24.818 1.00 72.32 ATOM 1543 C ALA 98 14.374 -38.174 23.145 1.00 23.15 ATOM 1544 O ALA 98 15.188 -37.410 23.663 1.00 62.25 ATOM 1545 N ASN 99 14.730 -39.199 22.377 1.00 4.24 ATOM 1546 HN ASN 99 14.046 -39.814 22.028 1.00 37.19 ATOM 1547 CA ASN 99 16.131 -39.490 22.093 1.00 73.32 ATOM 1548 HA ASN 99 16.654 -39.592 23.036 1.00 60.12 ATOM 1549 CB ASN 99 16.252 -40.801 21.314 1.00 61.53 ATOM 1550 HB1 ASN 99 17.290 -40.967 21.054 1.00 37.19 ATOM 1551 HB2 ASN 99 15.670 -40.729 20.406 1.00 45.44 ATOM 1552 CG ASN 99 15.773 -41.996 22.115 1.00 74.52 ATOM 1553 OD1 ASN 99 16.471 -42.482 23.005 1.00 11.20 ATOM 1554 ND2 ASN 99 14.575 -42.477 21.801 1.00 40.10 ATOM 1555 HD21 ASN 99 14.070 -42.057 21.089 1.00 12.33 ATOM 1556 HD22 ASN 99 14.246 -43.248 22.309 1.00 2.35 ATOM 1557 C ASN 99 16.773 -38.355 21.302 1.00 51.50 ATOM 1558 O ASN 99 17.860 -37.885 21.641 1.00 74.42 ATOM 1559 N ASP 100 16.093 -37.917 20.248 1.00 63.24 ATOM 1560 HN ASP 100 15.230 -38.338 20.020 1.00 37.19 ATOM 1561 CA ASP 100 16.596 -36.835 19.409 1.00 30.20 ATOM 1562 HA ASP 100 17.522 -37.166 18.955 1.00 51.42 ATOM 1563 CB ASP 100 15.586 -36.502 18.309 1.00 23.45 ATOM 1564 HB1 ASP 100 15.847 -35.557 17.847 1.00 37.19 ATOM 1565 HB2 ASP 100 14.601 -36.421 18.745 1.00 72.33 ATOM 1566 CG ASP 100 15.541 -37.561 17.225 1.00 31.13 ATOM 1567 OD1 ASP 100 15.902 -37.245 16.073 1.00 64.23 ATOM 1568 OD2 ASP 100 15.143 -38.705 17.529 1.00 20.43 ATOM 1569 C ASP 100 16.887 -35.592 20.243 1.00 10.51 ATOM 1570 O ASP 100 17.727 -34.768 19.877 1.00 31.13 ATOM 1571 N LEU 101 16.187 -35.461 21.365 1.00 41.34 ATOM 1572 HN LEU 101 15.495 -36.119 21.597 1.00 37.19 ATOM 1573 CA LEU 101 16.369 -34.316 22.251 1.00 22.50 ATOM 1574 HA LEU 101 16.647 -33.459 21.651 1.00 65.31 ATOM 1575 CB LEU 101 15.063 -33.999 22.981 1.00 40.31 ATOM 1576 HB1 LEU 101 14.648 -34.931 23.342 1.00 37.19 ATOM 1577 HB2 LEU 101 14.383 -33.583 22.267 1.00 41.44 ATOM 1578 CG LEU 101 15.173 -33.039 24.166 1.00 32.34 ATOM 1579 HG LEU 101 15.811 -33.470 24.924 1.00 51.51 ATOM 1580 CD1 LEU 101 15.787 -31.719 23.729 1.00 4.32 ATOM 1581 HD11 LEU 101 16.196 -31.773 22.735 1.00 51.44 ATOM 1582 HD12 LEU 101 16.583 -31.465 24.412 1.00 44.44 ATOM 1583 HD13 LEU 101 15.050 -30.936 23.760 1.00 41.14 ATOM 1584 CD2 LEU 101 13.806 -32.811 24.796 1.00 24.12 ATOM 1585 HD21 LEU 101 13.928 -32.374 25.763 1.00 1.14 ATOM 1586 HD22 LEU 101 13.287 -33.748 24.901 1.00 24.01 ATOM 1587 HD23 LEU 101 13.217 -32.149 24.175 1.00 22.54 ATOM 1588 C LEU 101 17.479 -34.583 23.263 1.00 12.02 ATOM 1589 O LEU 101 18.395 -33.776 23.422 1.00 62.22 ATOM 1590 N TYR 102 17.391 -35.720 23.944 1.00 74.20 ATOM 1591 HN TYR 102 16.631 -36.325 23.775 1.00 37.19 ATOM 1592 CA TYR 102 18.387 -36.093 24.941 1.00 32.31 ATOM 1593 HA TYR 102 18.319 -35.373 25.740 1.00 71.42 ATOM 1594 CB TYR 102 18.103 -37.498 25.475 1.00 21.22 ATOM 1595 HB1 TYR 102 18.445 -38.240 24.761 1.00 37.19 ATOM 1596 HB2 TYR 102 17.039 -37.595 25.594 1.00 1.10 ATOM 1597 CG TYR 102 18.740 -37.776 26.818 1.00 44.31 ATOM 1598 CD1 TYR 102 18.605 -36.880 27.871 1.00 2.34 ATOM 1599 HD1 TYR 102 18.032 -35.976 27.729 1.00 62.34 ATOM 1600 CD2 TYR 102 19.479 -38.933 27.033 1.00 15.00 ATOM 1601 HD2 TYR 102 19.597 -39.643 26.226 1.00 44.32 ATOM 1602 CE1 TYR 102 19.186 -37.129 29.100 1.00 43.42 ATOM 1603 HE1 TYR 102 19.069 -36.420 29.906 1.00 70.31 ATOM 1604 CE2 TYR 102 20.062 -39.191 28.258 1.00 12.34 ATOM 1605 HE2 TYR 102 20.635 -40.092 28.400 1.00 24.42 ATOM 1606 CZ TYR 102 19.913 -38.286 29.288 1.00 1.45 ATOM 1607 OH TYR 102 20.494 -38.538 30.510 1.00 32.02 ATOM 1608 HH TYR 102 21.446 -38.412 30.451 1.00 5.21 ATOM 1609 C TYR 102 19.794 -36.035 24.354 1.00 53.11 ATOM 1610 O TYR 102 20.681 -35.383 24.905 1.00 73.43 ATOM 1611 N GLN 103 19.989 -36.720 23.232 1.00 75.40 ATOM 1612 HN GLN 103 19.234 -37.213 22.829 1.00 37.19 ATOM 1613 CA GLN 103 21.287 -36.747 22.569 1.00 1.03 ATOM 1614 HA GLN 103 22.060 -36.806 23.327 1.00 33.41 ATOM 1615 CB GLN 103 21.398 -37.977 21.667 1.00 32.42 ATOM 1616 HB1 GLN 103 22.363 -37.976 21.174 1.00 37.19 ATOM 1617 HB2 GLN 103 20.624 -37.922 20.918 1.00 64.12 ATOM 1618 CG GLN 103 21.229 -39.293 22.410 1.00 62.24 ATOM 1619 HG1 GLN 103 20.974 -40.055 21.687 1.00 37.19 ATOM 1620 HG2 GLN 103 20.422 -39.208 23.125 1.00 61.35 ATOM 1621 CD GLN 103 22.494 -39.726 23.124 1.00 21.32 ATOM 1622 OE1 GLN 103 23.498 -40.054 22.491 1.00 74.35 ATOM 1623 NE2 GLN 103 22.453 -39.729 24.451 1.00 20.55 ATOM 1624 HE21 GLN 103 21.625 -39.457 24.908 1.00 52.11 ATOM 1625 HE22 GLN 103 23.262 -40.006 24.930 1.00 40.32 ATOM 1626 C GLN 103 21.506 -35.480 21.750 1.00 50.44 ATOM 1627 O GLN 103 22.636 -35.144 21.396 1.00 74.51 ATOM 1628 N GLY 104 20.417 -34.778 21.450 1.00 35.44 ATOM 1629 HN GLY 104 19.534 -35.097 21.708 1.00 37.19 ATOM 1630 CA GLY 104 20.511 -33.556 20.674 1.00 1.01 ATOM 1631 HA1 GLY 104 21.270 -32.913 21.102 1.00 37.19 ATOM 1632 HA2 GLY 104 19.560 -33.045 20.719 1.00 70.35 ATOM 1633 C GLY 104 20.851 -33.817 19.220 1.00 34.41 ATOM 1634 O GLY 104 21.552 -33.027 18.589 1.00 71.42 ATOM 1635 N GLN 105 20.354 -34.930 18.689 1.00 55.43 ATOM 1636 HN GLN 105 19.756 -35.498 19.229 1.00 37.19 ATOM 1637 CA GLN 105 20.611 -35.294 17.300 1.00 11.44 ATOM 1638 HA GLN 105 21.668 -35.161 17.102 1.00 34.14 ATOM 1639 CB GLN 105 20.252 -36.761 17.061 1.00 73.12 ATOM 1640 HB1 GLN 105 20.670 -37.061 16.109 1.00 37.19 ATOM 1641 HB2 GLN 105 19.173 -36.863 17.019 1.00 71.32 ATOM 1642 CG GLN 105 20.764 -37.697 18.143 1.00 31.43 ATOM 1643 HG1 GLN 105 20.009 -37.767 18.909 1.00 37.19 ATOM 1644 HG2 GLN 105 21.672 -37.291 18.572 1.00 53.54 ATOM 1645 CD GLN 105 21.046 -39.093 17.622 1.00 4.33 ATOM 1646 OE1 GLN 105 20.255 -39.657 16.866 1.00 25.41 ATOM 1647 NE2 GLN 105 22.179 -39.657 18.025 1.00 70.22 ATOM 1648 HE21 GLN 105 22.775 -39.161 18.630 1.00 62.24 ATOM 1649 HE22 GLN 105 22.379 -40.559 17.698 1.00 2.31 ATOM 1650 C GLN 105 19.820 -34.402 16.348 1.00 21.34 ATOM 1651 O GLN 105 20.357 -33.903 15.361 1.00 51.24 ATOM 1652 N ASN 106 18.541 -34.208 16.653 1.00 41.32 ATOM 1653 HN ASN 106 18.153 -34.646 17.447 1.00 37.19 ATOM 1654 CA ASN 106 17.676 -33.377 15.823 1.00 32.12 ATOM 1655 HA ASN 106 18.286 -32.813 15.122 1.00 40.24 ATOM 1656 CB ASN 106 16.703 -34.251 15.030 1.00 73.43 ATOM 1657 HB1 ASN 106 15.947 -33.628 14.581 1.00 37.19 ATOM 1658 HB2 ASN 106 16.234 -34.951 15.695 1.00 41.35 ATOM 1659 CG ASN 106 17.390 -35.019 13.917 1.00 4.21 ATOM 1660 OD1 ASN 106 18.592 -34.868 13.695 1.00 71.23 ATOM 1661 ND2 ASN 106 16.629 -35.847 13.212 1.00 61.14 ATOM 1662 HD21 ASN 106 15.674 -35.927 13.435 1.00 14.11 ATOM 1663 HD22 ASN 106 17.055 -36.352 12.488 1.00 62.32 ATOM 1664 C ASN 106 16.900 -32.378 16.676 1.00 32.34 ATOM 1665 O ASN 106 15.824 -32.687 17.189 1.00 73.32 ATOM 1666 N PHE 107 17.453 -31.179 16.824 1.00 20.11 ATOM 1667 HN PHE 107 18.314 -30.987 16.380 1.00 37.19 ATOM 1668 CA PHE 107 16.814 -30.134 17.615 1.00 35.33 ATOM 1669 HA PHE 107 16.497 -30.578 18.547 1.00 43.13 ATOM 1670 CB PHE 107 17.804 -29.005 17.903 1.00 4.52 ATOM 1671 HB1 PHE 107 18.062 -28.511 16.973 1.00 37.19 ATOM 1672 HB2 PHE 107 18.700 -29.433 18.332 1.00 13.53 ATOM 1673 CG PHE 107 17.282 -27.981 18.870 1.00 52.41 ATOM 1674 CD1 PHE 107 16.671 -28.372 20.051 1.00 45.42 ATOM 1675 HD1 PHE 107 16.572 -29.422 20.284 1.00 42.12 ATOM 1676 CD2 PHE 107 17.401 -26.627 18.598 1.00 62.30 ATOM 1677 HD2 PHE 107 17.875 -26.306 17.680 1.00 33.15 ATOM 1678 CE1 PHE 107 16.189 -27.431 20.942 1.00 60.45 ATOM 1679 HE1 PHE 107 15.715 -27.748 21.858 1.00 51.12 ATOM 1680 CE2 PHE 107 16.921 -25.682 19.485 1.00 20.52 ATOM 1681 HE2 PHE 107 17.014 -24.635 19.257 1.00 43.20 ATOM 1682 CZ PHE 107 16.315 -26.085 20.659 1.00 20.31 ATOM 1683 HZ PHE 107 15.931 -25.354 21.339 1.00 14.12 ATOM 1684 C PHE 107 15.588 -29.580 16.895 1.00 50.11 ATOM 1685 O PHE 107 14.661 -29.074 17.525 1.00 12.52 ATOM 1686 N ASN 108 15.593 -29.679 15.570 1.00 74.44 ATOM 1687 HN ASN 108 16.381 -30.053 15.114 1.00 37.19 ATOM 1688 CA ASN 108 14.482 -29.187 14.762 1.00 23.12 ATOM 1689 HA ASN 108 14.442 -28.112 14.868 1.00 42.33 ATOM 1690 CB ASN 108 14.705 -29.531 13.288 1.00 51.40 ATOM 1691 HB1 ASN 108 15.567 -28.984 12.933 1.00 37.19 ATOM 1692 HB2 ASN 108 13.840 -29.231 12.709 1.00 13.53 ATOM 1693 CG ASN 108 14.964 -31.009 13.072 1.00 72.15 ATOM 1694 OD1 ASN 108 16.038 -31.516 13.394 1.00 23.21 ATOM 1695 ND2 ASN 108 13.977 -31.708 12.522 1.00 23.24 ATOM 1696 HD21 ASN 108 13.139 -31.251 12.283 1.00 42.21 ATOM 1697 HD22 ASN 108 14.125 -32.665 12.374 1.00 73.32 ATOM 1698 C ASN 108 13.159 -29.778 15.239 1.00 10.34 ATOM 1699 O ASN 108 12.176 -29.060 15.423 1.00 52.43 ATOM 1700 N LYS 109 13.142 -31.091 15.440 1.00 75.15 ATOM 1701 HN LYS 109 13.975 -31.601 15.345 1.00 37.19 ATOM 1702 CA LYS 109 11.941 -31.780 15.897 1.00 13.13 ATOM 1703 HA LYS 109 11.156 -31.606 15.173 1.00 52.42 ATOM 1704 CB LYS 109 12.197 -33.286 15.993 1.00 11.44 ATOM 1705 HB1 LYS 109 11.246 -33.778 16.127 1.00 37.19 ATOM 1706 HB2 LYS 109 12.825 -33.490 16.852 1.00 32.13 ATOM 1707 CG LYS 109 12.879 -33.866 14.766 1.00 34.15 ATOM 1708 HG1 LYS 109 13.944 -33.796 14.894 1.00 37.19 ATOM 1709 HG2 LYS 109 12.580 -33.308 13.890 1.00 22.21 ATOM 1710 CD LYS 109 12.497 -35.321 14.552 1.00 34.24 ATOM 1711 HD1 LYS 109 12.989 -35.683 13.661 1.00 37.19 ATOM 1712 HD2 LYS 109 11.426 -35.392 14.426 1.00 14.54 ATOM 1713 CE LYS 109 12.915 -36.186 15.731 1.00 33.43 ATOM 1714 HE1 LYS 109 12.315 -35.929 16.583 1.00 37.19 ATOM 1715 HE2 LYS 109 13.943 -35.988 15.950 1.00 1.23 ATOM 1716 NZ LYS 109 12.738 -37.637 15.445 1.00 34.11 ATOM 1717 HZ1 LYS 109 11.742 -37.844 15.223 1.00 61.43 ATOM 1718 HZ2 LYS 109 13.016 -38.199 16.274 1.00 3.54 ATOM 1719 HZ3 LYS 109 13.330 -37.921 14.637 1.00 22.41 ATOM 1720 C LYS 109 11.488 -31.243 17.252 1.00 64.15 ATOM 1721 O LYS 109 10.296 -31.041 17.484 1.00 44.02 ATOM 1722 N VAL 110 12.448 -31.013 18.142 1.00 11.42 ATOM 1723 HN VAL 110 13.384 -31.160 17.882 1.00 37.19 ATOM 1724 CA VAL 110 12.148 -30.497 19.473 1.00 42.55 ATOM 1725 HA VAL 110 11.405 -31.145 19.926 1.00 61.21 ATOM 1726 CB VAL 110 13.400 -30.495 20.369 1.00 24.43 ATOM 1727 HB VAL 110 14.093 -29.750 19.999 1.00 11.24 ATOM 1728 CG1 VAL 110 13.033 -30.132 21.800 1.00 75.31 ATOM 1729 HG11 VAL 110 13.923 -30.133 22.398 1.00 64.52 ATOM 1730 HG12 VAL 110 12.335 -30.851 22.195 1.00 14.11 ATOM 1731 HG13 VAL 110 12.590 -29.149 21.826 1.00 32.30 ATOM 1732 CG2 VAL 110 14.095 -31.848 20.316 1.00 51.24 ATOM 1733 HG21 VAL 110 14.895 -31.873 21.040 1.00 22.03 ATOM 1734 HG22 VAL 110 14.513 -32.004 19.336 1.00 43.21 ATOM 1735 HG23 VAL 110 13.398 -32.627 20.529 1.00 65.30 ATOM 1736 C VAL 110 11.588 -29.081 19.399 1.00 13.33 ATOM 1737 O VAL 110 10.515 -28.797 19.934 1.00 74.44 ATOM 1738 N LEU 111 12.320 -28.194 18.734 1.00 21.20 ATOM 1739 HN LEU 111 13.172 -28.482 18.332 1.00 37.19 ATOM 1740 CA LEU 111 11.896 -26.806 18.590 1.00 42.15 ATOM 1741 HA LEU 111 11.911 -26.361 19.570 1.00 14.15 ATOM 1742 CB LEU 111 12.848 -26.056 17.656 1.00 3.24 ATOM 1743 HB1 LEU 111 12.503 -26.175 16.635 1.00 37.19 ATOM 1744 HB2 LEU 111 13.827 -26.518 17.727 1.00 73.50 ATOM 1745 CG LEU 111 13.020 -24.562 17.932 1.00 12.42 ATOM 1746 HG LEU 111 12.049 -24.089 17.928 1.00 71.45 ATOM 1747 CD1 LEU 111 13.644 -24.340 19.301 1.00 2.40 ATOM 1748 HD11 LEU 111 13.198 -23.465 19.744 1.00 71.12 ATOM 1749 HD12 LEU 111 14.705 -24.178 19.205 1.00 60.25 ATOM 1750 HD13 LEU 111 13.482 -25.181 19.956 1.00 22.10 ATOM 1751 CD2 LEU 111 13.866 -23.912 16.846 1.00 33.45 ATOM 1752 HD21 LEU 111 13.365 -24.008 15.893 1.00 30.15 ATOM 1753 HD22 LEU 111 14.830 -24.399 16.795 1.00 55.13 ATOM 1754 HD23 LEU 111 14.009 -22.864 17.070 1.00 62.11 ATOM 1755 C LEU 111 10.471 -26.725 18.052 1.00 12.25 ATOM 1756 O LEU 111 9.601 -26.103 18.663 1.00 22.30 ATOM 1757 N SER 112 10.238 -27.359 16.908 1.00 43.24 ATOM 1758 HN SER 112 10.978 -27.841 16.465 1.00 37.19 ATOM 1759 CA SER 112 8.919 -27.357 16.287 1.00 34.13 ATOM 1760 HA SER 112 8.695 -26.345 15.982 1.00 43.03 ATOM 1761 CB SER 112 8.911 -28.260 15.052 1.00 21.45 ATOM 1762 HB1 SER 112 7.897 -28.381 14.690 1.00 37.19 ATOM 1763 HB2 SER 112 9.316 -29.226 15.313 1.00 31.34 ATOM 1764 OG SER 112 9.696 -27.707 14.011 1.00 41.42 ATOM 1765 HG SER 112 9.193 -27.030 13.551 1.00 52.01 ATOM 1766 C SER 112 7.853 -27.820 17.276 1.00 11.32 ATOM 1767 O SER 112 6.727 -27.322 17.270 1.00 30.22 ATOM 1768 N SER 113 8.217 -28.776 18.125 1.00 42.40 ATOM 1769 HN SER 113 9.128 -29.151 18.077 1.00 37.19 ATOM 1770 CA SER 113 7.292 -29.309 19.118 1.00 24.21 ATOM 1771 HA SER 113 6.422 -29.689 18.600 1.00 4.04 ATOM 1772 CB SER 113 7.946 -30.458 19.889 1.00 13.20 ATOM 1773 HB1 SER 113 8.514 -30.077 20.729 1.00 37.19 ATOM 1774 HB2 SER 113 8.609 -30.981 19.225 1.00 24.24 ATOM 1775 OG SER 113 6.972 -31.371 20.366 1.00 43.40 ATOM 1776 HG SER 113 6.577 -31.029 21.172 1.00 55.24 ATOM 1777 C SER 113 6.848 -28.219 20.088 1.00 50.41 ATOM 1778 O SER 113 5.653 -28.007 20.298 1.00 73.41 ATOM 1779 N LEU 114 7.818 -27.528 20.677 1.00 63.41 ATOM 1780 HN LEU 114 8.752 -27.723 20.434 1.00 37.19 ATOM 1781 CA LEU 114 7.529 -26.458 21.625 1.00 30.44 ATOM 1782 HA LEU 114 6.871 -26.851 22.390 1.00 55.50 ATOM 1783 CB LEU 114 8.820 -25.976 22.290 1.00 73.42 ATOM 1784 HB1 LEU 114 8.546 -25.342 23.121 1.00 37.19 ATOM 1785 HB2 LEU 114 9.373 -25.379 21.573 1.00 43.12 ATOM 1786 CG LEU 114 9.757 -27.068 22.807 1.00 72.40 ATOM 1787 HG LEU 114 10.143 -27.631 21.978 1.00 74.31 ATOM 1788 CD1 LEU 114 10.942 -26.454 23.534 1.00 5.15 ATOM 1789 HD11 LEU 114 11.514 -27.229 23.984 1.00 43.15 ATOM 1790 HD12 LEU 114 10.595 -25.775 24.301 1.00 21.03 ATOM 1791 HD13 LEU 114 11.558 -25.918 22.828 1.00 12.44 ATOM 1792 CD2 LEU 114 9.006 -28.026 23.721 1.00 63.54 ATOM 1793 HD21 LEU 114 8.187 -28.486 23.187 1.00 61.32 ATOM 1794 HD22 LEU 114 8.623 -27.493 24.580 1.00 51.42 ATOM 1795 HD23 LEU 114 9.683 -28.794 24.048 1.00 13.22 ATOM 1796 C LEU 114 6.833 -25.291 20.933 1.00 10.24 ATOM 1797 O LEU 114 5.884 -24.715 21.467 1.00 63.42 ATOM 1798 N VAL 115 7.310 -24.947 19.741 1.00 14.21 ATOM 1799 HN VAL 115 8.063 -25.451 19.359 1.00 37.19 ATOM 1800 CA VAL 115 6.731 -23.850 18.974 1.00 63.10 ATOM 1801 HA VAL 115 6.765 -22.954 19.584 1.00 73.20 ATOM 1802 CB VAL 115 7.529 -23.587 17.683 1.00 54.42 ATOM 1803 HB VAL 115 7.522 -24.488 17.085 1.00 4.33 ATOM 1804 CG1 VAL 115 6.881 -22.474 16.873 1.00 42.31 ATOM 1805 HG11 VAL 115 7.532 -22.193 16.054 1.00 72.43 ATOM 1806 HG12 VAL 115 6.711 -21.611 17.502 1.00 34.41 ATOM 1807 HG13 VAL 115 5.940 -22.814 16.467 1.00 51.12 ATOM 1808 CG2 VAL 115 8.975 -23.247 18.010 1.00 11.02 ATOM 1809 HG21 VAL 115 9.356 -23.878 18.791 1.00 62.30 ATOM 1810 HG22 VAL 115 9.045 -22.218 18.336 1.00 31.31 ATOM 1811 HG23 VAL 115 9.576 -23.381 17.123 1.00 31.31 ATOM 1812 C VAL 115 5.279 -24.139 18.611 1.00 11.14 ATOM 1813 O VAL 115 4.417 -23.264 18.707 1.00 21.42 ATOM 1814 N THR 116 5.013 -25.373 18.194 1.00 11.04 ATOM 1815 HN THR 116 5.742 -26.033 18.132 1.00 37.19 ATOM 1816 CA THR 116 3.665 -25.778 17.816 1.00 31.15 ATOM 1817 HA THR 116 3.289 -25.070 17.086 1.00 54.34 ATOM 1818 CB THR 116 3.659 -27.177 17.172 1.00 34.22 ATOM 1819 HB THR 116 4.070 -27.886 17.878 1.00 65.11 ATOM 1820 OG1 THR 116 4.466 -27.176 15.990 1.00 42.32 ATOM 1821 HG1 THR 116 4.778 -28.067 15.811 1.00 41.42 ATOM 1822 CG2 THR 116 2.241 -27.606 16.824 1.00 63.21 ATOM 1823 HG21 THR 116 1.714 -27.893 17.722 1.00 64.03 ATOM 1824 HG22 THR 116 2.282 -28.451 16.153 1.00 54.42 ATOM 1825 HG23 THR 116 1.714 -26.794 16.339 1.00 63.25 ATOM 1826 C THR 116 2.733 -25.783 19.023 1.00 5.52 ATOM 1827 O THR 116 1.601 -25.305 18.948 1.00 75.02 ATOM 1828 N LEU 117 3.217 -26.324 20.136 1.00 42.32 ATOM 1829 HN LEU 117 4.128 -26.703 20.134 1.00 37.19 ATOM 1830 CA LEU 117 2.427 -26.390 21.361 1.00 44.54 ATOM 1831 HA LEU 117 1.578 -27.026 21.177 1.00 42.41 ATOM 1832 CB LEU 117 3.257 -26.996 22.494 1.00 40.22 ATOM 1833 HB1 LEU 117 4.244 -26.550 22.455 1.00 37.19 ATOM 1834 HB2 LEU 117 3.359 -28.057 22.305 1.00 33.31 ATOM 1835 CG LEU 117 2.704 -26.805 23.907 1.00 45.43 ATOM 1836 HG LEU 117 2.554 -25.757 24.106 1.00 3.32 ATOM 1837 CD1 LEU 117 1.356 -27.494 24.050 1.00 4.44 ATOM 1838 HD11 LEU 117 1.276 -28.320 23.358 1.00 31.04 ATOM 1839 HD12 LEU 117 0.574 -26.784 23.835 1.00 22.12 ATOM 1840 HD13 LEU 117 1.222 -27.861 25.061 1.00 34.51 ATOM 1841 CD2 LEU 117 3.688 -27.333 24.940 1.00 25.12 ATOM 1842 HD21 LEU 117 3.597 -28.390 25.000 1.00 14.42 ATOM 1843 HD22 LEU 117 3.456 -26.901 25.896 1.00 55.15 ATOM 1844 HD23 LEU 117 4.697 -27.072 24.661 1.00 33.21 ATOM 1845 C LEU 117 1.931 -25.005 21.763 1.00 12.34 ATOM 1846 O LEU 117 0.854 -24.865 22.341 1.00 53.40 ATOM 1847 N ASN 118 2.723 -23.984 21.452 1.00 1.13 ATOM 1848 HN ASN 118 3.588 -24.149 21.010 1.00 37.19 ATOM 1849 CA ASN 118 2.363 -22.609 21.780 1.00 20.34 ATOM 1850 HA ASN 118 1.937 -22.593 22.776 1.00 75.15 ATOM 1851 CB ASN 118 3.607 -21.718 21.769 1.00 15.14 ATOM 1852 HB1 ASN 118 4.192 -21.946 20.889 1.00 37.19 ATOM 1853 HB2 ASN 118 4.201 -21.916 22.639 1.00 12.15 ATOM 1854 CG ASN 118 3.260 -20.242 21.732 1.00 34.11 ATOM 1855 OD1 ASN 118 3.114 -19.654 20.660 1.00 32.23 ATOM 1856 ND2 ASN 118 3.126 -19.636 22.906 1.00 1.01 ATOM 1857 HD21 ASN 118 3.238 -20.149 23.710 1.00 30.33 ATOM 1858 HD22 ASN 118 2.916 -18.679 22.905 1.00 24.22 ATOM 1859 C ASN 118 1.328 -22.069 20.799 1.00 74.03 ATOM 1860 O ASN 118 0.356 -21.425 21.195 1.00 3.33 ATOM 1861 N LYS 119 1.542 -22.337 19.515 1.00 54.41 ATOM 1862 HN LYS 119 2.342 -22.852 19.253 1.00 37.19 ATOM 1863 CA LYS 119 0.627 -21.880 18.475 1.00 42.00 ATOM 1864 HA LYS 119 0.495 -20.810 18.586 1.00 72.32 ATOM 1865 CB LYS 119 1.209 -22.174 17.090 1.00 3.34 ATOM 1866 HB1 LYS 119 0.410 -22.180 16.357 1.00 37.19 ATOM 1867 HB2 LYS 119 1.665 -23.156 17.110 1.00 4.10 ATOM 1868 CG LYS 119 2.241 -21.156 16.636 1.00 24.22 ATOM 1869 HG1 LYS 119 2.794 -20.799 17.497 1.00 37.19 ATOM 1870 HG2 LYS 119 1.737 -20.323 16.171 1.00 15.34 ATOM 1871 CD LYS 119 3.228 -21.764 15.653 1.00 3.33 ATOM 1872 HD1 LYS 119 3.697 -22.627 16.105 1.00 37.19 ATOM 1873 HD2 LYS 119 3.982 -21.028 15.417 1.00 23.43 ATOM 1874 CE LYS 119 2.541 -22.190 14.365 1.00 41.30 ATOM 1875 HE1 LYS 119 1.811 -22.955 14.584 1.00 37.19 ATOM 1876 HE2 LYS 119 3.287 -22.593 13.696 1.00 65.54 ATOM 1877 NZ LYS 119 1.864 -21.046 13.693 1.00 20.11 ATOM 1878 HZ1 LYS 119 1.591 -21.318 12.727 1.00 71.15 ATOM 1879 HZ2 LYS 119 2.498 -20.221 13.637 1.00 33.22 ATOM 1880 HZ3 LYS 119 1.006 -20.777 14.214 1.00 13.11 ATOM 1881 C LYS 119 -0.736 -22.549 18.617 1.00 12.12 ATOM 1882 O LYS 119 -1.764 -21.876 18.696 1.00 1.31 ATOM 1883 N VAL 120 -0.738 -23.878 18.651 1.00 41.22 ATOM 1884 HN VAL 120 0.118 -24.356 18.574 1.00 37.19 ATOM 1885 CA VAL 120 -1.975 -24.638 18.786 1.00 2.44 ATOM 1886 HA VAL 120 -2.555 -24.498 17.883 1.00 24.52 ATOM 1887 CB VAL 120 -1.693 -26.142 18.960 1.00 14.10 ATOM 1888 HB VAL 120 -2.633 -26.647 19.079 1.00 45.25 ATOM 1889 CG1 VAL 120 -1.021 -26.706 17.718 1.00 70.41 ATOM 1890 HG11 VAL 120 -0.091 -26.197 17.533 1.00 64.12 ATOM 1891 HG12 VAL 120 -1.673 -26.574 16.866 1.00 62.43 ATOM 1892 HG13 VAL 120 -0.830 -27.762 17.857 1.00 1.43 ATOM 1893 CG2 VAL 120 -0.839 -26.385 20.195 1.00 15.54 ATOM 1894 HG21 VAL 120 -1.451 -26.271 21.077 1.00 72.02 ATOM 1895 HG22 VAL 120 -0.041 -25.688 20.237 1.00 4.25 ATOM 1896 HG23 VAL 120 -0.438 -27.388 20.178 1.00 54.40 ATOM 1897 C VAL 120 -2.795 -24.145 19.973 1.00 11.22 ATOM 1898 O VAL 120 -4.025 -24.213 19.964 1.00 23.02 ATOM 1899 N THR 121 -2.107 -23.647 20.996 1.00 65.02 ATOM 1900 HN THR 121 -1.124 -23.647 20.978 1.00 37.19 ATOM 1901 CA THR 121 -2.771 -23.143 22.191 1.00 5.12 ATOM 1902 HA THR 121 -3.680 -23.699 22.337 1.00 74.41 ATOM 1903 CB THR 121 -1.890 -23.326 23.442 1.00 15.01 ATOM 1904 HB THR 121 -2.348 -22.805 24.277 1.00 31.20 ATOM 1905 OG1 THR 121 -0.586 -22.785 23.207 1.00 42.33 ATOM 1906 HG1 THR 121 -0.318 -22.242 23.953 1.00 55.22 ATOM 1907 CG2 THR 121 -1.775 -24.797 23.812 1.00 15.03 ATOM 1908 HG21 THR 121 -2.758 -25.249 23.803 1.00 4.53 ATOM 1909 HG22 THR 121 -1.370 -24.893 24.794 1.00 52.50 ATOM 1910 HG23 THR 121 -1.151 -25.308 23.107 1.00 42.32 ATOM 1911 C THR 121 -3.123 -21.667 22.043 1.00 31.34 ATOM 1912 O THR 121 -4.070 -21.181 22.661 1.00 41.21 ATOM 1913 N ALA 122 -2.356 -20.960 21.221 1.00 42.15 ATOM 1914 HN ALA 122 -1.586 -21.382 20.793 1.00 37.19 ATOM 1915 CA ALA 122 -2.590 -19.540 20.990 1.00 44.33 ATOM 1916 HA ALA 122 -2.546 -19.028 21.929 1.00 10.05 ATOM 1917 CB ALA 122 -1.508 -18.967 20.085 1.00 34.12 ATOM 1918 HB1 ALA 122 -1.649 -17.900 19.981 1.00 2.42 ATOM 1919 HB2 ALA 122 -1.560 -19.434 19.112 1.00 3.31 ATOM 1920 HB3 ALA 122 -0.539 -19.158 20.522 1.00 14.00 ATOM 1921 C ALA 122 -3.969 -19.302 20.385 1.00 41.42 ATOM 1922 O ALA 122 -4.659 -18.347 20.745 1.00 63.44 ATOM 1923 N ASP 123 -4.365 -20.174 19.464 1.00 4.13 ATOM 1924 HN ASP 123 -3.766 -20.913 19.204 1.00 37.19 ATOM 1925 CA ASP 123 -5.662 -20.058 18.809 1.00 34.43 ATOM 1926 HA ASP 123 -5.715 -19.077 18.351 1.00 42.25 ATOM 1927 CB ASP 123 -5.807 -21.127 17.724 1.00 2.52 ATOM 1928 HB1 ASP 123 -5.944 -22.098 18.182 1.00 37.19 ATOM 1929 HB2 ASP 123 -4.907 -21.144 17.126 1.00 53.02 ATOM 1930 CG ASP 123 -6.979 -20.859 16.801 1.00 33.41 ATOM 1931 OD1 ASP 123 -7.267 -21.720 15.944 1.00 70.23 ATOM 1932 OD2 ASP 123 -7.609 -19.789 16.936 1.00 41.14 ATOM 1933 C ASP 123 -6.796 -20.188 19.822 1.00 23.32 ATOM 1934 O ASP 123 -7.876 -19.628 19.635 1.00 50.24 ATOM 1935 N ILE 124 -6.542 -20.931 20.894 1.00 30.22 ATOM 1936 HN ILE 124 -5.662 -21.348 20.991 1.00 37.19 ATOM 1937 CA ILE 124 -7.541 -21.134 21.936 1.00 21.31 ATOM 1938 HA ILE 124 -8.382 -21.656 21.495 1.00 73.44 ATOM 1939 CB ILE 124 -6.986 -21.993 23.088 1.00 13.11 ATOM 1940 HB ILE 124 -6.180 -21.458 23.561 1.00 54.30 ATOM 1941 CG1 ILE 124 -6.458 -23.325 22.552 1.00 40.03 ATOM 1942 HG11 ILE 124 -5.683 -23.147 21.827 1.00 37.19 ATOM 1943 HG12 ILE 124 -7.265 -23.865 22.078 1.00 12.02 ATOM 1944 CG2 ILE 124 -8.061 -22.228 24.139 1.00 53.33 ATOM 1945 HG21 ILE 124 -7.683 -22.866 24.924 1.00 14.01 ATOM 1946 HG22 ILE 124 -8.920 -22.699 23.684 1.00 72.43 ATOM 1947 HG23 ILE 124 -8.360 -21.291 24.580 1.00 32.03 ATOM 1948 CD1 ILE 124 -5.878 -24.221 23.624 1.00 55.11 ATOM 1949 HD11 ILE 124 -6.675 -24.628 24.227 1.00 54.31 ATOM 1950 HD12 ILE 124 -5.203 -23.655 24.251 1.00 51.10 ATOM 1951 HD13 ILE 124 -5.336 -25.030 23.157 1.00 44.54 ATOM 1952 C ILE 124 -8.028 -19.803 22.498 1.00 4.11 ATOM 1953 O ILE 124 -9.152 -19.697 22.986 1.00 40.21 ATOM 1954 N GLY 125 -7.172 -18.787 22.424 1.00 34.33 ATOM 1955 HN GLY 125 -6.266 -18.917 22.074 1.00 37.19 ATOM 1956 CA GLY 125 -7.534 -17.475 22.928 1.00 62.12 ATOM 1957 HA1 GLY 125 -8.589 -17.432 23.171 1.00 37.19 ATOM 1958 HA2 GLY 125 -7.335 -16.749 22.154 1.00 2.41 ATOM 1959 C GLY 125 -6.738 -17.087 24.158 1.00 34.04 ATOM 1960 O GLY 125 -7.307 -16.675 25.170 1.00 14.41 ATOM 1961 N LEU 126 -5.419 -17.220 24.074 1.00 34.24 ATOM 1962 HN LEU 126 -5.019 -17.548 23.233 1.00 37.19 ATOM 1963 HA LEU 126 -4.863 -17.451 26.051 1.00 11.03 ATOM 1964 CB LEU 126 -3.095 -17.243 24.856 1.00 13.34 ATOM 1965 HB1 LEU 126 -2.442 -16.789 25.595 1.00 37.19 ATOM 1966 HB2 LEU 126 -2.866 -16.806 23.893 1.00 61.42 ATOM 1967 CG LEU 126 -2.773 -18.736 24.795 1.00 63.11 ATOM 1968 HG LEU 126 -3.463 -19.218 24.117 1.00 63.41 ATOM 1969 CD1 LEU 126 -1.364 -18.957 24.266 1.00 51.41 ATOM 1970 HD11 LEU 126 -1.224 -18.415 23.342 1.00 62.03 ATOM 1971 HD12 LEU 126 -1.209 -20.011 24.088 1.00 2.24 ATOM 1972 HD13 LEU 126 -0.642 -18.608 24.993 1.00 52.15 ATOM 1973 CD2 LEU 126 -2.935 -19.374 26.167 1.00 10.31 ATOM 1974 HD21 LEU 126 -3.960 -19.284 26.493 1.00 3.35 ATOM 1975 HD22 LEU 126 -2.287 -18.881 26.878 1.00 61.22 ATOM 1976 HD23 LEU 126 -2.673 -20.423 26.113 1.00 3.53 ATOM 1977 CA LEU 126 -4.544 -16.882 25.191 1.00 4.20 ATOM 1978 C LEU 126 -4.644 -15.398 25.532 1.00 73.51 ATOM 1979 OT1 LEU 126 -4.432 -14.563 24.625 1.00 37.19 ATOM 1980 OT2 LEU 126 -4.934 -15.079 26.705 1.00 37.19 ATOM 1981 OH2 TIP3 1 -9.811 -42.189 10.055 0.00 0.00 WAT1 ATOM 1982 H1 TIP3 1 -9.724 -41.363 10.530 0.00 0.00 WAT1 ATOM 1983 H2 TIP3 1 -10.675 -42.519 10.304 0.00 0.00 WAT1 ATOM 1984 OH2 TIP3 2 -3.508 -37.895 12.286 0.00 0.00 WAT1 ATOM 1985 H1 TIP3 2 -3.308 -37.471 11.451 0.00 0.00 WAT1 ATOM 1986 H2 TIP3 2 -2.852 -37.552 12.893 0.00 0.00 WAT1 ATOM 1987 OH2 TIP3 3 -6.940 -42.767 9.918 0.00 0.00 WAT1 ATOM 1988 H1 TIP3 3 -7.841 -42.584 9.650 0.00 0.00 WAT1 ATOM 1989 H2 TIP3 3 -6.906 -42.508 10.839 0.00 0.00 WAT1 ATOM 1990 OH2 TIP3 4 -5.065 -40.137 9.966 0.00 0.00 WAT1 ATOM 1991 H1 TIP3 4 -5.667 -40.692 9.471 0.00 0.00 WAT1 ATOM 1992 H2 TIP3 4 -4.784 -39.470 9.340 0.00 0.00 WAT1 ATOM 1993 OH2 TIP3 5 -13.484 -40.293 13.781 0.00 0.00 WAT1 ATOM 1994 H1 TIP3 5 -12.716 -40.752 14.122 0.00 0.00 WAT1 ATOM 1995 H2 TIP3 5 -13.505 -40.519 12.851 0.00 0.00 WAT1 ATOM 1996 OH2 TIP3 6 -6.907 -41.913 12.510 0.00 0.00 WAT1 ATOM 1997 H1 TIP3 6 -7.258 -42.769 12.753 0.00 0.00 WAT1 ATOM 1998 H2 TIP3 6 -6.181 -41.770 13.117 0.00 0.00 WAT1 ATOM 1999 OH2 TIP3 7 -1.516 -39.666 9.084 0.00 0.00 WAT1 ATOM 2000 H1 TIP3 7 -2.003 -40.401 8.713 0.00 0.00 WAT1 ATOM 2001 H2 TIP3 7 -0.967 -40.059 9.762 0.00 0.00 WAT1 ATOM 2002 OH2 TIP3 8 -3.065 -43.876 13.722 0.00 0.00 WAT1 ATOM 2003 H1 TIP3 8 -3.931 -43.981 14.116 0.00 0.00 WAT1 ATOM 2004 H2 TIP3 8 -2.689 -43.117 14.169 0.00 0.00 WAT1 ATOM 2005 OH2 TIP3 9 -9.691 -39.840 11.495 0.00 0.00 WAT1 ATOM 2006 H1 TIP3 9 -9.506 -40.174 12.373 0.00 0.00 WAT1 ATOM 2007 H2 TIP3 9 -8.844 -39.531 11.173 0.00 0.00 WAT1 ATOM 2008 OH2 TIP3 10 -7.346 -38.555 10.739 0.00 0.00 WAT1 ATOM 2009 H1 TIP3 10 -6.669 -39.187 10.499 0.00 0.00 WAT1 ATOM 2010 H2 TIP3 10 -7.024 -38.153 11.547 0.00 0.00 WAT1 ATOM 2011 OH2 TIP3 11 -3.143 -40.612 11.892 0.00 0.00 WAT1 ATOM 2012 H1 TIP3 11 -3.925 -40.798 11.372 0.00 0.00 WAT1 ATOM 2013 H2 TIP3 11 -3.215 -39.683 12.109 0.00 0.00 WAT1 ATOM 2014 OH2 TIP3 12 -4.954 -44.532 22.499 0.00 0.00 WAT1 ATOM 2015 H1 TIP3 12 -5.395 -45.252 22.949 0.00 0.00 WAT1 ATOM 2016 H2 TIP3 12 -4.967 -43.811 23.129 0.00 0.00 WAT1 ATOM 2017 OH2 TIP3 13 -7.843 -39.427 22.711 0.00 0.00 WAT1 ATOM 2018 H1 TIP3 13 -7.223 -40.104 22.438 0.00 0.00 WAT1 ATOM 2019 H2 TIP3 13 -8.051 -39.645 23.619 0.00 0.00 WAT1 ATOM 2020 OH2 TIP3 14 -7.796 -44.125 19.821 0.00 0.00 WAT1 ATOM 2021 H1 TIP3 14 -8.092 -44.447 18.970 0.00 0.00 WAT1 ATOM 2022 H2 TIP3 14 -8.120 -43.225 19.863 0.00 0.00 WAT1 ATOM 2023 OH2 TIP3 15 -4.442 -42.692 24.847 0.00 0.00 WAT1 ATOM 2024 H1 TIP3 15 -5.384 -42.634 25.008 0.00 0.00 WAT1 ATOM 2025 H2 TIP3 15 -4.166 -41.786 24.710 0.00 0.00 WAT1 ATOM 2026 OH2 TIP3 16 -6.190 -40.911 21.472 0.00 0.00 WAT1 ATOM 2027 H1 TIP3 16 -5.765 -41.618 20.987 0.00 0.00 WAT1 ATOM 2028 H2 TIP3 16 -5.873 -40.110 21.055 0.00 0.00 WAT1 ATOM 2029 OH2 TIP3 17 -5.031 -43.010 19.981 0.00 0.00 WAT1 ATOM 2030 H1 TIP3 17 -5.288 -43.700 19.369 0.00 0.00 WAT1 ATOM 2031 H2 TIP3 17 -4.960 -43.453 20.826 0.00 0.00 WAT1 ATOM 2032 OH2 TIP3 18 -3.345 -44.444 28.458 0.00 0.00 WAT1 ATOM 2033 H1 TIP3 18 -3.205 -45.035 27.719 0.00 0.00 WAT1 ATOM 2034 H2 TIP3 18 -3.177 -43.571 28.102 0.00 0.00 WAT1 ATOM 2035 OH2 TIP3 19 -1.503 -48.104 26.524 0.00 0.00 WAT1 ATOM 2036 H1 TIP3 19 -2.155 -47.409 26.613 0.00 0.00 WAT1 ATOM 2037 H2 TIP3 19 -1.038 -47.894 25.714 0.00 0.00 WAT1 ATOM 2038 OH2 TIP3 20 -7.145 -42.370 25.432 0.00 0.00 WAT1 ATOM 2039 H1 TIP3 20 -7.386 -41.708 26.080 0.00 0.00 WAT1 ATOM 2040 H2 TIP3 20 -7.343 -43.204 25.857 0.00 0.00 WAT1 ATOM 2041 OH2 TIP3 21 -8.869 -41.373 20.302 0.00 0.00 WAT1 ATOM 2042 H1 TIP3 21 -8.395 -41.078 21.080 0.00 0.00 WAT1 ATOM 2043 H2 TIP3 21 -9.432 -40.635 20.069 0.00 0.00 WAT1 ATOM 2044 OH2 TIP3 22 -1.707 -41.994 15.057 0.00 0.00 WAT1 ATOM 2045 H1 TIP3 22 -1.634 -41.055 15.227 0.00 0.00 WAT1 ATOM 2046 H2 TIP3 22 -0.802 -42.299 15.000 0.00 0.00 WAT1 ATOM 2047 OH2 TIP3 23 -3.560 -46.280 26.373 0.00 0.00 WAT1 ATOM 2048 H1 TIP3 23 -2.918 -45.823 25.830 0.00 0.00 WAT1 ATOM 2049 H2 TIP3 23 -4.390 -46.167 25.911 0.00 0.00 WAT1 ATOM 2050 OH2 TIP3 24 -8.584 -43.954 16.612 0.00 0.00 WAT1 ATOM 2051 H1 TIP3 24 -8.879 -43.128 16.994 0.00 0.00 WAT1 ATOM 2052 H2 TIP3 24 -9.287 -44.574 16.808 0.00 0.00 WAT1 ATOM 2053 OH2 TIP3 25 -6.940 -42.767 28.774 0.00 0.00 WAT1 ATOM 2054 H1 TIP3 25 -7.841 -42.584 28.506 0.00 0.00 WAT1 ATOM 2055 H2 TIP3 25 -6.906 -42.508 29.695 0.00 0.00 WAT1 ATOM 2056 OH2 TIP3 26 -2.913 -41.736 17.606 0.00 0.00 WAT1 ATOM 2057 H1 TIP3 26 -3.286 -42.562 17.916 0.00 0.00 WAT1 ATOM 2058 H2 TIP3 26 -2.636 -41.919 16.709 0.00 0.00 WAT1 ATOM 2059 OH2 TIP3 27 -13.099 -39.915 19.882 0.00 0.00 WAT1 ATOM 2060 H1 TIP3 27 -14.049 -39.810 19.934 0.00 0.00 WAT1 ATOM 2061 H2 TIP3 27 -12.748 -39.095 20.227 0.00 0.00 WAT1 ATOM 2062 OH2 TIP3 28 -5.521 -43.760 15.427 0.00 0.00 WAT1 ATOM 2063 H1 TIP3 28 -5.168 -44.140 16.231 0.00 0.00 WAT1 ATOM 2064 H2 TIP3 28 -6.470 -43.853 15.513 0.00 0.00 WAT1 ATOM 2065 OH2 TIP3 29 -5.065 -40.137 28.822 0.00 0.00 WAT1 ATOM 2066 H1 TIP3 29 -5.667 -40.692 28.327 0.00 0.00 WAT1 ATOM 2067 H2 TIP3 29 -4.784 -39.470 28.196 0.00 0.00 WAT1 ATOM 2068 OH2 TIP3 30 -1.017 -39.280 15.628 0.00 0.00 WAT1 ATOM 2069 H1 TIP3 30 -0.274 -38.694 15.488 0.00 0.00 WAT1 ATOM 2070 H2 TIP3 30 -1.712 -38.712 15.961 0.00 0.00 WAT1 ATOM 2071 OH2 TIP3 31 -4.655 -45.087 17.653 0.00 0.00 WAT1 ATOM 2072 H1 TIP3 31 -4.932 -45.815 18.209 0.00 0.00 WAT1 ATOM 2073 H2 TIP3 31 -3.728 -44.968 17.859 0.00 0.00 WAT1 ATOM 2074 OH2 TIP3 32 -11.430 -42.648 13.874 0.00 0.00 WAT1 ATOM 2075 H1 TIP3 32 -11.191 -43.396 13.326 0.00 0.00 WAT1 ATOM 2076 H2 TIP3 32 -11.699 -43.036 14.706 0.00 0.00 WAT1 ATOM 2077 OH2 TIP3 33 -12.493 -43.078 16.330 0.00 0.00 WAT1 ATOM 2078 H1 TIP3 33 -12.346 -43.598 17.120 0.00 0.00 WAT1 ATOM 2079 H2 TIP3 33 -12.496 -42.171 16.636 0.00 0.00 WAT1 ATOM 2080 OH2 TIP3 34 -9.755 -41.380 17.079 0.00 0.00 WAT1 ATOM 2081 H1 TIP3 34 -10.572 -40.883 17.132 0.00 0.00 WAT1 ATOM 2082 H2 TIP3 34 -9.226 -40.905 16.439 0.00 0.00 WAT1 ATOM 2083 OH2 TIP3 35 -12.417 -40.337 17.061 0.00 0.00 WAT1 ATOM 2084 H1 TIP3 35 -12.256 -39.537 16.560 0.00 0.00 WAT1 ATOM 2085 H2 TIP3 35 -12.614 -40.030 17.946 0.00 0.00 WAT1 ATOM 2086 OH2 TIP3 36 -6.907 -41.913 31.366 0.00 0.00 WAT1 ATOM 2087 H1 TIP3 36 -7.258 -42.769 31.609 0.00 0.00 WAT1 ATOM 2088 H2 TIP3 36 -6.181 -41.770 31.973 0.00 0.00 WAT1 ATOM 2089 OH2 TIP3 37 -8.481 -44.011 13.839 0.00 0.00 WAT1 ATOM 2090 H1 TIP3 37 -8.749 -43.831 14.740 0.00 0.00 WAT1 ATOM 2091 H2 TIP3 37 -8.687 -44.937 13.708 0.00 0.00 WAT1 ATOM 2092 OH2 TIP3 38 -5.784 -45.516 28.787 0.00 0.00 WAT1 ATOM 2093 H1 TIP3 38 -5.039 -44.928 28.667 0.00 0.00 WAT1 ATOM 2094 H2 TIP3 38 -6.541 -44.934 28.850 0.00 0.00 WAT1 ATOM 2095 OH2 TIP3 39 -3.065 -43.876 32.578 0.00 0.00 WAT1 ATOM 2096 H1 TIP3 39 -3.931 -43.981 32.972 0.00 0.00 WAT1 ATOM 2097 H2 TIP3 39 -2.689 -43.117 33.025 0.00 0.00 WAT1 ATOM 2098 OH2 TIP3 40 -1.611 -44.781 24.864 0.00 0.00 WAT1 ATOM 2099 H1 TIP3 40 -0.777 -45.159 24.583 0.00 0.00 WAT1 ATOM 2100 H2 TIP3 40 -1.499 -43.838 24.745 0.00 0.00 WAT1 ATOM 2101 OH2 TIP3 41 -3.124 -41.903 27.171 0.00 0.00 WAT1 ATOM 2102 H1 TIP3 41 -3.772 -41.578 27.796 0.00 0.00 WAT1 ATOM 2103 H2 TIP3 41 -3.642 -42.343 26.496 0.00 0.00 WAT1 ATOM 2104 OH2 TIP3 42 -2.727 -47.075 30.118 0.00 0.00 WAT1 ATOM 2105 H1 TIP3 42 -2.144 -47.809 30.309 0.00 0.00 WAT1 ATOM 2106 H2 TIP3 42 -2.163 -46.303 30.164 0.00 0.00 WAT1 ATOM 2107 OH2 TIP3 43 -1.230 -49.172 30.802 0.00 0.00 WAT1 ATOM 2108 H1 TIP3 43 -2.093 -49.551 30.637 0.00 0.00 WAT1 ATOM 2109 H2 TIP3 43 -0.626 -49.911 30.728 0.00 0.00 WAT1 ATOM 2110 OH2 TIP3 44 -7.346 -38.555 29.595 0.00 0.00 WAT1 ATOM 2111 H1 TIP3 44 -6.669 -39.187 29.355 0.00 0.00 WAT1 ATOM 2112 H2 TIP3 44 -7.024 -38.153 30.403 0.00 0.00 WAT1 ATOM 2113 OH2 TIP3 45 -9.422 -38.495 25.645 0.00 0.00 WAT1 ATOM 2114 H1 TIP3 45 -9.879 -37.966 24.991 0.00 0.00 WAT1 ATOM 2115 H2 TIP3 45 -9.259 -37.892 26.370 0.00 0.00 WAT1 ATOM 2116 OH2 TIP3 46 -7.095 -39.617 26.590 0.00 0.00 WAT1 ATOM 2117 H1 TIP3 46 -7.999 -39.452 26.324 0.00 0.00 WAT1 ATOM 2118 H2 TIP3 46 -6.666 -38.764 26.524 0.00 0.00 WAT1 ATOM 2119 OH2 TIP3 47 -3.143 -40.612 30.748 0.00 0.00 WAT1 ATOM 2120 H1 TIP3 47 -3.925 -40.798 30.228 0.00 0.00 WAT1 ATOM 2121 H2 TIP3 47 -3.215 -39.683 30.965 0.00 0.00 WAT1 ATOM 2122 OH2 TIP3 48 -4.954 -44.532 41.355 0.00 0.00 WAT1 ATOM 2123 H1 TIP3 48 -5.395 -45.252 41.805 0.00 0.00 WAT1 ATOM 2124 H2 TIP3 48 -4.967 -43.811 41.985 0.00 0.00 WAT1 ATOM 2125 OH2 TIP3 49 -7.843 -39.427 41.567 0.00 0.00 WAT1 ATOM 2126 H1 TIP3 49 -7.223 -40.104 41.294 0.00 0.00 WAT1 ATOM 2127 H2 TIP3 49 -8.051 -39.645 42.475 0.00 0.00 WAT1 ATOM 2128 OH2 TIP3 50 -7.796 -44.125 38.677 0.00 0.00 WAT1 ATOM 2129 H1 TIP3 50 -8.092 -44.447 37.826 0.00 0.00 WAT1 ATOM 2130 H2 TIP3 50 -8.120 -43.225 38.719 0.00 0.00 WAT1 ATOM 2131 OH2 TIP3 51 -4.442 -42.692 43.703 0.00 0.00 WAT1 ATOM 2132 H1 TIP3 51 -5.384 -42.634 43.864 0.00 0.00 WAT1 ATOM 2133 H2 TIP3 51 -4.166 -41.786 43.566 0.00 0.00 WAT1 ATOM 2134 OH2 TIP3 52 -6.190 -40.911 40.328 0.00 0.00 WAT1 ATOM 2135 H1 TIP3 52 -5.765 -41.618 39.843 0.00 0.00 WAT1 ATOM 2136 H2 TIP3 52 -5.873 -40.110 39.911 0.00 0.00 WAT1 ATOM 2137 OH2 TIP3 53 -5.031 -43.010 38.837 0.00 0.00 WAT1 ATOM 2138 H1 TIP3 53 -5.288 -43.700 38.225 0.00 0.00 WAT1 ATOM 2139 H2 TIP3 53 -4.960 -43.453 39.682 0.00 0.00 WAT1 ATOM 2140 OH2 TIP3 54 -5.466 -47.272 38.038 0.00 0.00 WAT1 ATOM 2141 H1 TIP3 54 -6.198 -47.044 38.611 0.00 0.00 WAT1 ATOM 2142 H2 TIP3 54 -5.019 -47.986 38.493 0.00 0.00 WAT1 ATOM 2143 OH2 TIP3 55 -6.595 -48.110 35.723 0.00 0.00 WAT1 ATOM 2144 H1 TIP3 55 -6.016 -47.960 36.470 0.00 0.00 WAT1 ATOM 2145 H2 TIP3 55 -6.181 -47.639 35.000 0.00 0.00 WAT1 ATOM 2146 OH2 TIP3 56 -8.869 -41.373 39.158 0.00 0.00 WAT1 ATOM 2147 H1 TIP3 56 -8.395 -41.078 39.936 0.00 0.00 WAT1 ATOM 2148 H2 TIP3 56 -9.432 -40.635 38.925 0.00 0.00 WAT1 ATOM 2149 OH2 TIP3 57 -9.397 -38.417 37.573 0.00 0.00 WAT1 ATOM 2150 H1 TIP3 57 -9.472 -38.538 36.627 0.00 0.00 WAT1 ATOM 2151 H2 TIP3 57 -9.364 -37.467 37.692 0.00 0.00 WAT1 ATOM 2152 OH2 TIP3 58 -6.295 -39.263 34.576 0.00 0.00 WAT1 ATOM 2153 H1 TIP3 58 -5.920 -40.007 34.105 0.00 0.00 WAT1 ATOM 2154 H2 TIP3 58 -6.291 -39.533 35.494 0.00 0.00 WAT1 ATOM 2155 OH2 TIP3 59 -6.626 -39.337 37.325 0.00 0.00 WAT1 ATOM 2156 H1 TIP3 59 -7.561 -39.237 37.504 0.00 0.00 WAT1 ATOM 2157 H2 TIP3 59 -6.346 -40.046 37.903 0.00 0.00 WAT1 ATOM 2158 OH2 TIP3 60 -5.118 -47.077 33.353 0.00 0.00 WAT1 ATOM 2159 H1 TIP3 60 -5.076 -47.300 32.423 0.00 0.00 WAT1 ATOM 2160 H2 TIP3 60 -4.269 -46.679 33.543 0.00 0.00 WAT1 ATOM 2161 OH2 TIP3 61 -8.584 -43.954 35.468 0.00 0.00 WAT1 ATOM 2162 H1 TIP3 61 -8.879 -43.128 35.850 0.00 0.00 WAT1 ATOM 2163 H2 TIP3 61 -9.287 -44.574 35.664 0.00 0.00 WAT1 ATOM 2164 OH2 TIP3 62 -5.521 -43.760 34.283 0.00 0.00 WAT1 ATOM 2165 H1 TIP3 62 -5.168 -44.140 35.087 0.00 0.00 WAT1 ATOM 2166 H2 TIP3 62 -6.470 -43.853 34.369 0.00 0.00 WAT1 ATOM 2167 OH2 TIP3 63 -4.655 -45.087 36.509 0.00 0.00 WAT1 ATOM 2168 H1 TIP3 63 -4.932 -45.815 37.065 0.00 0.00 WAT1 ATOM 2169 H2 TIP3 63 -3.728 -44.968 36.715 0.00 0.00 WAT1 ATOM 2170 OH2 TIP3 64 -9.755 -41.380 35.935 0.00 0.00 WAT1 ATOM 2171 H1 TIP3 64 -10.572 -40.883 35.988 0.00 0.00 WAT1 ATOM 2172 H2 TIP3 64 -9.226 -40.905 35.295 0.00 0.00 WAT1 ATOM 2173 OH2 TIP3 65 -3.795 -39.883 43.645 0.00 0.00 WAT1 ATOM 2174 H1 TIP3 65 -3.951 -39.205 42.988 0.00 0.00 WAT1 ATOM 2175 H2 TIP3 65 -2.863 -39.811 43.848 0.00 0.00 WAT1 ATOM 2176 OH2 TIP3 66 -9.392 -40.785 32.868 0.00 0.00 WAT1 ATOM 2177 H1 TIP3 66 -10.036 -41.416 33.190 0.00 0.00 WAT1 ATOM 2178 H2 TIP3 66 -8.630 -41.316 32.636 0.00 0.00 WAT1 ATOM 2179 OH2 TIP3 67 -8.481 -44.011 32.695 0.00 0.00 WAT1 ATOM 2180 H1 TIP3 67 -8.749 -43.831 33.596 0.00 0.00 WAT1 ATOM 2181 H2 TIP3 67 -8.687 -44.937 32.564 0.00 0.00 WAT1 ATOM 2182 OH2 TIP3 68 -2.223 -46.488 32.973 0.00 0.00 WAT1 ATOM 2183 H1 TIP3 68 -2.496 -46.913 32.160 0.00 0.00 WAT1 ATOM 2184 H2 TIP3 68 -2.183 -45.557 32.756 0.00 0.00 WAT1 ATOM 2185 OH2 TIP3 69 -11.715 -38.152 34.529 0.00 0.00 WAT1 ATOM 2186 H1 TIP3 69 -10.782 -37.994 34.673 0.00 0.00 WAT1 ATOM 2187 H2 TIP3 69 -11.979 -37.477 33.904 0.00 0.00 WAT1 ATOM 2188 OH2 TIP3 70 -1.079 -39.233 43.874 0.00 0.00 WAT1 ATOM 2189 H1 TIP3 70 -1.101 -39.048 44.813 0.00 0.00 WAT1 ATOM 2190 H2 TIP3 70 -0.389 -38.664 43.533 0.00 0.00 WAT1 ATOM 2191 OH2 TIP3 71 -1.370 -47.566 38.772 0.00 0.00 WAT1 ATOM 2192 H1 TIP3 71 -2.096 -48.045 39.170 0.00 0.00 WAT1 ATOM 2193 H2 TIP3 71 -0.789 -47.360 39.504 0.00 0.00 WAT1 ATOM 2194 OH2 TIP3 72 -1.611 -44.781 43.720 0.00 0.00 WAT1 ATOM 2195 H1 TIP3 72 -0.777 -45.159 43.439 0.00 0.00 WAT1 ATOM 2196 H2 TIP3 72 -1.499 -43.838 43.601 0.00 0.00 WAT1 ATOM 2197 OH2 TIP3 73 -1.102 -47.665 35.163 0.00 0.00 WAT1 ATOM 2198 H1 TIP3 73 -1.623 -47.308 34.444 0.00 0.00 WAT1 ATOM 2199 H2 TIP3 73 -1.135 -46.990 35.841 0.00 0.00 WAT1 ATOM 2200 OH2 TIP3 74 -3.583 -49.045 39.335 0.00 0.00 WAT1 ATOM 2201 H1 TIP3 74 -3.733 -49.990 39.315 0.00 0.00 WAT1 ATOM 2202 H2 TIP3 74 -3.937 -48.764 40.179 0.00 0.00 WAT1 ATOM 2203 OH2 TIP3 75 -4.341 -39.143 39.446 0.00 0.00 WAT1 ATOM 2204 H1 TIP3 75 -3.688 -39.490 38.838 0.00 0.00 WAT1 ATOM 2205 H2 TIP3 75 -3.830 -38.654 40.092 0.00 0.00 WAT1 ATOM 2206 OH2 TIP3 76 -9.070 -38.926 34.774 0.00 0.00 WAT1 ATOM 2207 H1 TIP3 76 -8.204 -38.560 34.596 0.00 0.00 WAT1 ATOM 2208 H2 TIP3 76 -9.317 -39.366 33.961 0.00 0.00 WAT1 ATOM 2209 OH2 TIP3 77 -1.608 -34.581 6.608 0.00 0.00 WAT1 ATOM 2210 H1 TIP3 77 -1.559 -33.971 7.344 0.00 0.00 WAT1 ATOM 2211 H2 TIP3 77 -1.182 -34.120 5.885 0.00 0.00 WAT1 ATOM 2212 OH2 TIP3 78 -1.216 -33.103 8.844 0.00 0.00 WAT1 ATOM 2213 H1 TIP3 78 -1.905 -32.445 8.749 0.00 0.00 WAT1 ATOM 2214 H2 TIP3 78 -1.201 -33.300 9.781 0.00 0.00 WAT1 ATOM 2215 OH2 TIP3 79 -1.503 -29.248 7.668 0.00 0.00 WAT1 ATOM 2216 H1 TIP3 79 -2.155 -28.553 7.757 0.00 0.00 WAT1 ATOM 2217 H2 TIP3 79 -1.038 -29.038 6.858 0.00 0.00 WAT1 ATOM 2218 OH2 TIP3 80 -1.707 -23.138 -3.799 0.00 0.00 WAT1 ATOM 2219 H1 TIP3 80 -1.634 -22.199 -3.629 0.00 0.00 WAT1 ATOM 2220 H2 TIP3 80 -0.802 -23.443 -3.856 0.00 0.00 WAT1 ATOM 2221 OH2 TIP3 81 -0.790 -22.907 11.179 0.00 0.00 WAT1 ATOM 2222 H1 TIP3 81 -0.839 -23.862 11.142 0.00 0.00 WAT1 ATOM 2223 H2 TIP3 81 -1.616 -22.639 11.581 0.00 0.00 WAT1 ATOM 2224 OH2 TIP3 82 -9.811 -23.333 10.055 0.00 0.00 WAT1 ATOM 2225 H1 TIP3 82 -9.724 -22.507 10.530 0.00 0.00 WAT1 ATOM 2226 H2 TIP3 82 -10.675 -23.663 10.304 0.00 0.00 WAT1 ATOM 2227 OH2 TIP3 83 -3.638 -31.414 11.659 0.00 0.00 WAT1 ATOM 2228 H1 TIP3 83 -4.045 -30.933 10.939 0.00 0.00 WAT1 ATOM 2229 H2 TIP3 83 -3.597 -32.319 11.352 0.00 0.00 WAT1 ATOM 2230 OH2 TIP3 84 -9.207 -36.838 9.026 0.00 0.00 WAT1 ATOM 2231 H1 TIP3 84 -8.787 -37.253 9.779 0.00 0.00 WAT1 ATOM 2232 H2 TIP3 84 -10.140 -37.016 9.143 0.00 0.00 WAT1 ATOM 2233 OH2 TIP3 85 -5.881 -33.082 9.880 0.00 0.00 WAT1 ATOM 2234 H1 TIP3 85 -6.395 -33.208 10.677 0.00 0.00 WAT1 ATOM 2235 H2 TIP3 85 -6.036 -32.170 9.635 0.00 0.00 WAT1 ATOM 2236 OH2 TIP3 86 -3.508 -19.039 12.286 0.00 0.00 WAT1 ATOM 2237 H1 TIP3 86 -3.308 -18.615 11.451 0.00 0.00 WAT1 ATOM 2238 H2 TIP3 86 -2.852 -18.696 12.893 0.00 0.00 WAT1 ATOM 2239 OH2 TIP3 87 -9.190 -26.373 9.968 0.00 0.00 WAT1 ATOM 2240 H1 TIP3 87 -9.536 -26.754 10.774 0.00 0.00 WAT1 ATOM 2241 H2 TIP3 87 -9.390 -25.439 10.039 0.00 0.00 WAT1 ATOM 2242 OH2 TIP3 88 -6.940 -23.911 9.918 0.00 0.00 WAT1 ATOM 2243 H1 TIP3 88 -7.841 -23.728 9.650 0.00 0.00 WAT1 ATOM 2244 H2 TIP3 88 -6.906 -23.652 10.839 0.00 0.00 WAT1 ATOM 2245 OH2 TIP3 89 -1.245 -25.866 11.122 0.00 0.00 WAT1 ATOM 2246 H1 TIP3 89 -2.097 -25.628 10.755 0.00 0.00 WAT1 ATOM 2247 H2 TIP3 89 -0.655 -25.883 10.369 0.00 0.00 WAT1 ATOM 2248 OH2 TIP3 90 -5.065 -21.281 9.966 0.00 0.00 WAT1 ATOM 2249 H1 TIP3 90 -5.667 -21.836 9.471 0.00 0.00 WAT1 ATOM 2250 H2 TIP3 90 -4.784 -20.614 9.340 0.00 0.00 WAT1 ATOM 2251 OH2 TIP3 91 -1.017 -20.424 -3.228 0.00 0.00 WAT1 ATOM 2252 H1 TIP3 91 -0.274 -19.838 -3.368 0.00 0.00 WAT1 ATOM 2253 H2 TIP3 91 -1.712 -19.856 -2.895 0.00 0.00 WAT1 ATOM 2254 OH2 TIP3 92 -3.484 -34.034 10.215 0.00 0.00 WAT1 ATOM 2255 H1 TIP3 92 -4.400 -33.771 10.127 0.00 0.00 WAT1 ATOM 2256 H2 TIP3 92 -3.148 -34.037 9.318 0.00 0.00 WAT1 ATOM 2257 OH2 TIP3 93 -13.484 -21.437 13.781 0.00 0.00 WAT1 ATOM 2258 H1 TIP3 93 -12.716 -21.896 14.122 0.00 0.00 WAT1 ATOM 2259 H2 TIP3 93 -13.505 -21.663 12.851 0.00 0.00 WAT1 ATOM 2260 OH2 TIP3 94 -11.519 -26.576 12.548 0.00 0.00 WAT1 ATOM 2261 H1 TIP3 94 -11.847 -26.305 11.690 0.00 0.00 WAT1 ATOM 2262 H2 TIP3 94 -11.367 -27.517 12.460 0.00 0.00 WAT1 ATOM 2263 OH2 TIP3 95 -5.784 -26.660 9.931 0.00 0.00 WAT1 ATOM 2264 H1 TIP3 95 -5.039 -26.072 9.811 0.00 0.00 WAT1 ATOM 2265 H2 TIP3 95 -6.541 -26.078 9.994 0.00 0.00 WAT1 ATOM 2266 OH2 TIP3 96 -8.375 -27.866 13.187 0.00 0.00 WAT1 ATOM 2267 H1 TIP3 96 -7.422 -27.782 13.159 0.00 0.00 WAT1 ATOM 2268 H2 TIP3 96 -8.535 -28.577 13.806 0.00 0.00 WAT1 ATOM 2269 OH2 TIP3 97 -6.645 -31.358 13.752 0.00 0.00 WAT1 ATOM 2270 H1 TIP3 97 -6.453 -32.289 13.641 0.00 0.00 WAT1 ATOM 2271 H2 TIP3 97 -5.788 -30.933 13.742 0.00 0.00 WAT1 ATOM 2272 OH2 TIP3 98 -5.329 -28.569 11.830 0.00 0.00 WAT1 ATOM 2273 H1 TIP3 98 -5.610 -27.860 11.252 0.00 0.00 WAT1 ATOM 2274 H2 TIP3 98 -4.386 -28.642 11.679 0.00 0.00 WAT1 ATOM 2275 OH2 TIP3 99 -10.573 -32.834 12.479 0.00 0.00 WAT1 ATOM 2276 H1 TIP3 99 -10.809 -33.054 13.381 0.00 0.00 WAT1 ATOM 2277 H2 TIP3 99 -11.356 -33.041 11.970 0.00 0.00 WAT1 ATOM 2278 OH2 TIP3 100 -7.857 -33.707 11.555 0.00 0.00 WAT1 ATOM 2279 H1 TIP3 100 -8.805 -33.675 11.687 0.00 0.00 WAT1 ATOM 2280 H2 TIP3 100 -7.545 -34.332 12.209 0.00 0.00 WAT1 ATOM 2281 OH2 TIP3 101 -6.223 -35.073 13.560 0.00 0.00 WAT1 ATOM 2282 H1 TIP3 101 -6.320 -36.025 13.554 0.00 0.00 WAT1 ATOM 2283 H2 TIP3 101 -6.545 -34.804 14.421 0.00 0.00 WAT1 ATOM 2284 OH2 TIP3 102 -11.615 -37.862 11.587 0.00 0.00 WAT1 ATOM 2285 H1 TIP3 102 -10.903 -38.502 11.573 0.00 0.00 WAT1 ATOM 2286 H2 TIP3 102 -11.716 -37.595 10.673 0.00 0.00 WAT1 ATOM 2287 OH2 TIP3 103 -11.262 -36.179 13.641 0.00 0.00 WAT1 ATOM 2288 H1 TIP3 103 -11.393 -36.655 12.820 0.00 0.00 WAT1 ATOM 2289 H2 TIP3 103 -11.861 -35.435 13.585 0.00 0.00 WAT1 ATOM 2290 OH2 TIP3 104 -1.516 -20.810 9.084 0.00 0.00 WAT1 ATOM 2291 H1 TIP3 104 -2.003 -21.545 8.713 0.00 0.00 WAT1 ATOM 2292 H2 TIP3 104 -0.967 -21.203 9.762 0.00 0.00 WAT1 ATOM 2293 OH2 TIP3 105 -3.065 -25.020 13.722 0.00 0.00 WAT1 ATOM 2294 H1 TIP3 105 -3.931 -25.125 14.116 0.00 0.00 WAT1 ATOM 2295 H2 TIP3 105 -2.689 -24.261 14.169 0.00 0.00 WAT1 ATOM 2296 OH2 TIP3 106 -1.764 -26.763 -0.764 0.00 0.00 WAT1 ATOM 2297 H1 TIP3 106 -0.914 -26.342 -0.636 0.00 0.00 WAT1 ATOM 2298 H2 TIP3 106 -1.759 -27.503 -0.156 0.00 0.00 WAT1 ATOM 2299 OH2 TIP3 107 -3.124 -23.047 8.315 0.00 0.00 WAT1 ATOM 2300 H1 TIP3 107 -3.772 -22.722 8.940 0.00 0.00 WAT1 ATOM 2301 H2 TIP3 107 -3.642 -23.487 7.640 0.00 0.00 WAT1 ATOM 2302 OH2 TIP3 108 -1.102 -28.809 -2.549 0.00 0.00 WAT1 ATOM 2303 H1 TIP3 108 -1.623 -28.452 -3.268 0.00 0.00 WAT1 ATOM 2304 H2 TIP3 108 -1.135 -28.134 -1.871 0.00 0.00 WAT1 ATOM 2305 OH2 TIP3 109 -2.727 -28.219 11.262 0.00 0.00 WAT1 ATOM 2306 H1 TIP3 109 -2.144 -28.953 11.453 0.00 0.00 WAT1 ATOM 2307 H2 TIP3 109 -2.163 -27.447 11.308 0.00 0.00 WAT1 ATOM 2308 OH2 TIP3 110 -3.232 -31.288 8.297 0.00 0.00 WAT1 ATOM 2309 H1 TIP3 110 -4.075 -31.020 8.663 0.00 0.00 WAT1 ATOM 2310 H2 TIP3 110 -2.789 -30.466 8.086 0.00 0.00 WAT1 ATOM 2311 OH2 TIP3 111 -0.949 -37.308 13.651 0.00 0.00 WAT1 ATOM 2312 H1 TIP3 111 -0.599 -37.962 13.045 0.00 0.00 WAT1 ATOM 2313 H2 TIP3 111 -0.802 -36.471 13.211 0.00 0.00 WAT1 ATOM 2314 OH2 TIP3 112 -9.691 -20.984 11.495 0.00 0.00 WAT1 ATOM 2315 H1 TIP3 112 -9.506 -21.318 12.373 0.00 0.00 WAT1 ATOM 2316 H2 TIP3 112 -8.844 -20.675 11.173 0.00 0.00 WAT1 ATOM 2317 OH2 TIP3 113 -7.346 -19.699 10.739 0.00 0.00 WAT1 ATOM 2318 H1 TIP3 113 -6.669 -20.331 10.499 0.00 0.00 WAT1 ATOM 2319 H2 TIP3 113 -7.024 -19.297 11.547 0.00 0.00 WAT1 ATOM 2320 OH2 TIP3 114 -2.428 -37.109 9.819 0.00 0.00 WAT1 ATOM 2321 H1 TIP3 114 -3.241 -36.784 9.431 0.00 0.00 WAT1 ATOM 2322 H2 TIP3 114 -2.195 -37.869 9.286 0.00 0.00 WAT1 ATOM 2323 OH2 TIP3 115 -14.741 -37.161 13.017 0.00 0.00 WAT1 ATOM 2324 H1 TIP3 115 -13.842 -37.435 12.832 0.00 0.00 WAT1 ATOM 2325 H2 TIP3 115 -15.127 -37.904 13.481 0.00 0.00 WAT1 ATOM 2326 OH2 TIP3 116 -3.143 -21.756 11.892 0.00 0.00 WAT1 ATOM 2327 H1 TIP3 116 -3.925 -21.942 11.372 0.00 0.00 WAT1 ATOM 2328 H2 TIP3 116 -3.215 -20.827 12.109 0.00 0.00 WAT1 ATOM 2329 OH2 TIP3 117 -7.593 -27.870 20.778 0.00 0.00 WAT1 ATOM 2330 H1 TIP3 117 -7.504 -26.926 20.646 0.00 0.00 WAT1 ATOM 2331 H2 TIP3 117 -8.232 -28.145 20.120 0.00 0.00 WAT1 ATOM 2332 OH2 TIP3 118 -8.660 -28.615 24.197 0.00 0.00 WAT1 ATOM 2333 H1 TIP3 118 -8.698 -29.261 24.902 0.00 0.00 WAT1 ATOM 2334 H2 TIP3 118 -8.983 -29.081 23.426 0.00 0.00 WAT1 ATOM 2335 OH2 TIP3 119 -15.368 -24.550 24.325 0.00 0.00 WAT1 ATOM 2336 H1 TIP3 119 -15.738 -25.352 23.956 0.00 0.00 WAT1 ATOM 2337 H2 TIP3 119 -14.427 -24.719 24.372 0.00 0.00 WAT1 ATOM 2338 OH2 TIP3 120 -10.271 -26.182 24.603 0.00 0.00 WAT1 ATOM 2339 H1 TIP3 120 -9.967 -26.868 24.009 0.00 0.00 WAT1 ATOM 2340 H2 TIP3 120 -9.549 -26.064 25.221 0.00 0.00 WAT1 ATOM 2341 OH2 TIP3 121 -12.199 -29.740 22.181 0.00 0.00 WAT1 ATOM 2342 H1 TIP3 121 -11.583 -30.266 22.690 0.00 0.00 WAT1 ATOM 2343 H2 TIP3 121 -12.785 -30.380 21.777 0.00 0.00 WAT1 ATOM 2344 OH2 TIP3 122 -12.596 -27.093 26.565 0.00 0.00 WAT1 ATOM 2345 H1 TIP3 122 -13.336 -26.495 26.668 0.00 0.00 WAT1 ATOM 2346 H2 TIP3 122 -11.882 -26.539 26.249 0.00 0.00 WAT1 ATOM 2347 OH2 TIP3 123 -14.188 -25.129 27.352 0.00 0.00 WAT1 ATOM 2348 H1 TIP3 123 -14.194 -24.250 26.974 0.00 0.00 WAT1 ATOM 2349 H2 TIP3 123 -15.042 -25.212 27.777 0.00 0.00 WAT1 ATOM 2350 OH2 TIP3 124 -11.139 -37.463 23.730 0.00 0.00 WAT1 ATOM 2351 H1 TIP3 124 -11.256 -38.412 23.676 0.00 0.00 WAT1 ATOM 2352 H2 TIP3 124 -11.994 -37.131 24.003 0.00 0.00 WAT1 ATOM 2353 OH2 TIP3 125 -8.872 -28.626 18.230 0.00 0.00 WAT1 ATOM 2354 H1 TIP3 125 -9.584 -28.091 17.879 0.00 0.00 WAT1 ATOM 2355 H2 TIP3 125 -8.181 -28.570 17.570 0.00 0.00 WAT1 ATOM 2356 OH2 TIP3 126 -8.818 -30.168 15.269 0.00 0.00 WAT1 ATOM 2357 H1 TIP3 126 -8.117 -30.146 15.920 0.00 0.00 WAT1 ATOM 2358 H2 TIP3 126 -8.516 -30.796 14.613 0.00 0.00 WAT1 ATOM 2359 OH2 TIP3 127 -12.454 -24.358 23.746 0.00 0.00 WAT1 ATOM 2360 H1 TIP3 127 -12.549 -24.936 22.989 0.00 0.00 WAT1 ATOM 2361 H2 TIP3 127 -11.725 -24.729 24.242 0.00 0.00 WAT1 ATOM 2362 OH2 TIP3 128 -13.454 -29.017 24.698 0.00 0.00 WAT1 ATOM 2363 H1 TIP3 128 -12.889 -28.896 23.935 0.00 0.00 WAT1 ATOM 2364 H2 TIP3 128 -13.135 -28.380 25.337 0.00 0.00 WAT1 ATOM 2365 OH2 TIP3 129 -12.574 -24.618 29.415 0.00 0.00 WAT1 ATOM 2366 H1 TIP3 129 -12.886 -23.836 29.871 0.00 0.00 WAT1 ATOM 2367 H2 TIP3 129 -13.224 -24.771 28.729 0.00 0.00 WAT1 ATOM 2368 OH2 TIP3 130 -6.595 -29.254 16.867 0.00 0.00 WAT1 ATOM 2369 H1 TIP3 130 -6.016 -29.104 17.614 0.00 0.00 WAT1 ATOM 2370 H2 TIP3 130 -6.181 -28.783 16.144 0.00 0.00 WAT1 ATOM 2371 OH2 TIP3 131 -9.811 -23.333 28.911 0.00 0.00 WAT1 ATOM 2372 H1 TIP3 131 -9.724 -22.507 29.386 0.00 0.00 WAT1 ATOM 2373 H2 TIP3 131 -10.675 -23.663 29.160 0.00 0.00 WAT1 ATOM 2374 OH2 TIP3 132 -15.743 -20.772 20.498 0.00 0.00 WAT1 ATOM 2375 H1 TIP3 132 -15.591 -21.120 21.377 0.00 0.00 WAT1 ATOM 2376 H2 TIP3 132 -16.594 -21.128 20.243 0.00 0.00 WAT1 ATOM 2377 OH2 TIP3 133 -9.207 -36.838 27.882 0.00 0.00 WAT1 ATOM 2378 H1 TIP3 133 -8.787 -37.253 28.635 0.00 0.00 WAT1 ATOM 2379 H2 TIP3 133 -10.140 -37.016 27.999 0.00 0.00 WAT1 ATOM 2380 OH2 TIP3 134 -5.118 -28.221 14.497 0.00 0.00 WAT1 ATOM 2381 H1 TIP3 134 -5.076 -28.444 13.567 0.00 0.00 WAT1 ATOM 2382 H2 TIP3 134 -4.269 -27.823 14.687 0.00 0.00 WAT1 ATOM 2383 OH2 TIP3 135 -13.779 -31.594 25.603 0.00 0.00 WAT1 ATOM 2384 H1 TIP3 135 -14.421 -31.635 26.312 0.00 0.00 WAT1 ATOM 2385 H2 TIP3 135 -13.742 -30.668 25.365 0.00 0.00 WAT1 ATOM 2386 OH2 TIP3 136 -9.144 -30.782 30.820 0.00 0.00 WAT1 ATOM 2387 H1 TIP3 136 -9.707 -31.486 31.140 0.00 0.00 WAT1 ATOM 2388 H2 TIP3 136 -8.318 -30.902 31.287 0.00 0.00 WAT1 ATOM 2389 OH2 TIP3 137 -12.663 -33.900 14.268 0.00 0.00 WAT1 ATOM 2390 H1 TIP3 137 -13.094 -34.345 14.998 0.00 0.00 WAT1 ATOM 2391 H2 TIP3 137 -13.381 -33.528 13.756 0.00 0.00 WAT1 ATOM 2392 OH2 TIP3 138 -11.200 -33.946 21.601 0.00 0.00 WAT1 ATOM 2393 H1 TIP3 138 -12.111 -33.889 21.890 0.00 0.00 WAT1 ATOM 2394 H2 TIP3 138 -10.695 -34.006 22.412 0.00 0.00 WAT1 ATOM 2395 OH2 TIP3 139 -12.719 -32.317 18.084 0.00 0.00 WAT1 ATOM 2396 H1 TIP3 139 -11.787 -32.188 18.262 0.00 0.00 WAT1 ATOM 2397 H2 TIP3 139 -12.934 -31.647 17.435 0.00 0.00 WAT1 ATOM 2398 OH2 TIP3 140 -3.508 -19.039 31.142 0.00 0.00 WAT1 ATOM 2399 H1 TIP3 140 -3.308 -18.615 30.307 0.00 0.00 WAT1 ATOM 2400 H2 TIP3 140 -2.852 -18.696 31.749 0.00 0.00 WAT1 ATOM 2401 OH2 TIP3 141 -14.878 -35.022 19.906 0.00 0.00 WAT1 ATOM 2402 H1 TIP3 141 -15.195 -35.924 19.871 0.00 0.00 WAT1 ATOM 2403 H2 TIP3 141 -14.097 -35.020 19.354 0.00 0.00 WAT1 ATOM 2404 OH2 TIP3 142 -11.254 -32.770 25.902 0.00 0.00 WAT1 ATOM 2405 H1 TIP3 142 -12.089 -32.316 26.012 0.00 0.00 WAT1 ATOM 2406 H2 TIP3 142 -10.730 -32.494 26.654 0.00 0.00 WAT1 ATOM 2407 OH2 TIP3 143 -10.710 -26.557 17.587 0.00 0.00 WAT1 ATOM 2408 H1 TIP3 143 -11.454 -27.064 17.264 0.00 0.00 WAT1 ATOM 2409 H2 TIP3 143 -10.844 -26.508 18.533 0.00 0.00 WAT1 ATOM 2410 OH2 TIP3 144 -9.190 -26.373 28.824 0.00 0.00 WAT1 ATOM 2411 H1 TIP3 144 -9.536 -26.754 29.630 0.00 0.00 WAT1 ATOM 2412 H2 TIP3 144 -9.390 -25.439 28.895 0.00 0.00 WAT1 ATOM 2413 OH2 TIP3 145 -11.560 -29.284 30.884 0.00 0.00 WAT1 ATOM 2414 H1 TIP3 145 -11.856 -29.450 29.989 0.00 0.00 WAT1 ATOM 2415 H2 TIP3 145 -10.629 -29.504 30.874 0.00 0.00 WAT1 ATOM 2416 OH2 TIP3 146 -13.210 -23.744 20.761 0.00 0.00 WAT1 ATOM 2417 H1 TIP3 146 -12.683 -22.971 20.560 0.00 0.00 WAT1 ATOM 2418 H2 TIP3 146 -14.090 -23.519 20.459 0.00 0.00 WAT1 ATOM 2419 OH2 TIP3 147 -11.783 -26.081 20.337 0.00 0.00 WAT1 ATOM 2420 H1 TIP3 147 -12.024 -25.156 20.379 0.00 0.00 WAT1 ATOM 2421 H2 TIP3 147 -12.523 -26.540 20.733 0.00 0.00 WAT1 ATOM 2422 OH2 TIP3 148 -11.268 -21.932 26.652 0.00 0.00 WAT1 ATOM 2423 H1 TIP3 148 -10.905 -21.077 26.419 0.00 0.00 WAT1 ATOM 2424 H2 TIP3 148 -10.736 -22.224 27.393 0.00 0.00 WAT1 ATOM 2425 OH2 TIP3 149 -13.099 -21.059 19.882 0.00 0.00 WAT1 ATOM 2426 H1 TIP3 149 -14.049 -20.954 19.934 0.00 0.00 WAT1 ATOM 2427 H2 TIP3 149 -12.748 -20.239 20.227 0.00 0.00 WAT1 ATOM 2428 OH2 TIP3 150 -11.430 -23.792 13.874 0.00 0.00 WAT1 ATOM 2429 H1 TIP3 150 -11.191 -24.540 13.326 0.00 0.00 WAT1 ATOM 2430 H2 TIP3 150 -11.699 -24.180 14.706 0.00 0.00 WAT1 ATOM 2431 OH2 TIP3 151 -12.493 -24.222 16.330 0.00 0.00 WAT1 ATOM 2432 H1 TIP3 151 -12.346 -24.742 17.120 0.00 0.00 WAT1 ATOM 2433 H2 TIP3 151 -12.496 -23.315 16.636 0.00 0.00 WAT1 ATOM 2434 OH2 TIP3 152 -10.224 -32.927 19.051 0.00 0.00 WAT1 ATOM 2435 H1 TIP3 152 -9.412 -32.423 19.097 0.00 0.00 WAT1 ATOM 2436 H2 TIP3 152 -10.469 -33.072 19.965 0.00 0.00 WAT1 ATOM 2437 OH2 TIP3 153 -9.688 -31.941 28.236 0.00 0.00 WAT1 ATOM 2438 H1 TIP3 153 -9.569 -31.367 28.993 0.00 0.00 WAT1 ATOM 2439 H2 TIP3 153 -9.033 -32.629 28.351 0.00 0.00 WAT1 ATOM 2440 OH2 TIP3 154 -12.417 -21.481 17.061 0.00 0.00 WAT1 ATOM 2441 H1 TIP3 154 -12.256 -20.681 16.560 0.00 0.00 WAT1 ATOM 2442 H2 TIP3 154 -12.614 -21.174 17.946 0.00 0.00 WAT1 ATOM 2443 OH2 TIP3 155 -13.683 -34.783 16.677 0.00 0.00 WAT1 ATOM 2444 H1 TIP3 155 -13.766 -33.894 17.023 0.00 0.00 WAT1 ATOM 2445 H2 TIP3 155 -12.793 -35.048 16.908 0.00 0.00 WAT1 ATOM 2446 OH2 TIP3 156 -6.907 -23.057 31.366 0.00 0.00 WAT1 ATOM 2447 H1 TIP3 156 -7.258 -23.913 31.609 0.00 0.00 WAT1 ATOM 2448 H2 TIP3 156 -6.181 -22.914 31.973 0.00 0.00 WAT1 ATOM 2449 OH2 TIP3 157 -11.519 -26.576 31.404 0.00 0.00 WAT1 ATOM 2450 H1 TIP3 157 -11.847 -26.305 30.546 0.00 0.00 WAT1 ATOM 2451 H2 TIP3 157 -11.367 -27.517 31.316 0.00 0.00 WAT1 ATOM 2452 OH2 TIP3 158 -8.481 -25.155 13.839 0.00 0.00 WAT1 ATOM 2453 H1 TIP3 158 -8.749 -24.975 14.740 0.00 0.00 WAT1 ATOM 2454 H2 TIP3 158 -8.687 -26.081 13.708 0.00 0.00 WAT1 ATOM 2455 OH2 TIP3 159 -12.643 -34.612 27.340 0.00 0.00 WAT1 ATOM 2456 H1 TIP3 159 -12.107 -34.161 26.688 0.00 0.00 WAT1 ATOM 2457 H2 TIP3 159 -13.495 -34.720 26.918 0.00 0.00 WAT1 ATOM 2458 OH2 TIP3 160 -11.061 -29.173 27.580 0.00 0.00 WAT1 ATOM 2459 H1 TIP3 160 -10.310 -29.329 27.007 0.00 0.00 WAT1 ATOM 2460 H2 TIP3 160 -11.400 -28.321 27.304 0.00 0.00 WAT1 ATOM 2461 OH2 TIP3 161 -11.837 -37.156 27.772 0.00 0.00 WAT1 ATOM 2462 H1 TIP3 161 -11.935 -36.209 27.666 0.00 0.00 WAT1 ATOM 2463 H2 TIP3 161 -12.580 -37.528 27.296 0.00 0.00 WAT1 ATOM 2464 OH2 TIP3 162 -10.573 -32.834 31.335 0.00 0.00 WAT1 ATOM 2465 H1 TIP3 162 -10.809 -33.054 32.237 0.00 0.00 WAT1 ATOM 2466 H2 TIP3 162 -11.356 -33.041 30.826 0.00 0.00 WAT1 ATOM 2467 OH2 TIP3 163 -7.857 -33.707 30.411 0.00 0.00 WAT1 ATOM 2468 H1 TIP3 163 -8.805 -33.675 30.543 0.00 0.00 WAT1 ATOM 2469 H2 TIP3 163 -7.545 -34.332 31.065 0.00 0.00 WAT1 ATOM 2470 OH2 TIP3 164 -11.262 -36.179 32.497 0.00 0.00 WAT1 ATOM 2471 H1 TIP3 164 -11.393 -36.655 31.676 0.00 0.00 WAT1 ATOM 2472 H2 TIP3 164 -11.861 -35.435 32.441 0.00 0.00 WAT1 ATOM 2473 OH2 TIP3 165 -11.715 -19.296 15.673 0.00 0.00 WAT1 ATOM 2474 H1 TIP3 165 -10.782 -19.138 15.817 0.00 0.00 WAT1 ATOM 2475 H2 TIP3 165 -11.979 -18.621 15.048 0.00 0.00 WAT1 ATOM 2476 OH2 TIP3 166 -14.002 -22.383 27.392 0.00 0.00 WAT1 ATOM 2477 H1 TIP3 166 -14.427 -21.574 27.109 0.00 0.00 WAT1 ATOM 2478 H2 TIP3 166 -13.097 -22.298 27.090 0.00 0.00 WAT1 ATOM 2479 OH2 TIP3 167 -9.691 -20.984 30.351 0.00 0.00 WAT1 ATOM 2480 H1 TIP3 167 -9.506 -21.318 31.229 0.00 0.00 WAT1 ATOM 2481 H2 TIP3 167 -8.844 -20.675 30.029 0.00 0.00 WAT1 ATOM 2482 OH2 TIP3 168 -7.346 -19.699 29.595 0.00 0.00 WAT1 ATOM 2483 H1 TIP3 168 -6.669 -20.331 29.355 0.00 0.00 WAT1 ATOM 2484 H2 TIP3 168 -7.024 -19.297 30.403 0.00 0.00 WAT1 ATOM 2485 OH2 TIP3 169 -14.133 -19.527 26.469 0.00 0.00 WAT1 ATOM 2486 H1 TIP3 169 -14.998 -19.455 26.873 0.00 0.00 WAT1 ATOM 2487 H2 TIP3 169 -14.188 -18.980 25.685 0.00 0.00 WAT1 ATOM 2488 OH2 TIP3 170 -15.044 -21.794 23.005 0.00 0.00 WAT1 ATOM 2489 H1 TIP3 170 -15.263 -22.710 23.174 0.00 0.00 WAT1 ATOM 2490 H2 TIP3 170 -14.220 -21.654 23.471 0.00 0.00 WAT1 ATOM 2491 OH2 TIP3 171 -8.998 -35.660 22.998 0.00 0.00 WAT1 ATOM 2492 H1 TIP3 171 -9.673 -36.289 23.253 0.00 0.00 WAT1 ATOM 2493 H2 TIP3 171 -8.434 -36.144 22.395 0.00 0.00 WAT1 ATOM 2494 OH2 TIP3 172 -12.092 -37.099 20.633 0.00 0.00 WAT1 ATOM 2495 H1 TIP3 172 -11.218 -36.711 20.603 0.00 0.00 WAT1 ATOM 2496 H2 TIP3 172 -12.228 -37.314 21.556 0.00 0.00 WAT1 ATOM 2497 OH2 TIP3 173 -6.319 -37.829 32.055 0.00 0.00 WAT1 ATOM 2498 H1 TIP3 173 -6.243 -38.255 32.909 0.00 0.00 WAT1 ATOM 2499 H2 TIP3 173 -5.426 -37.815 31.713 0.00 0.00 WAT1 ATOM 2500 OH2 TIP3 174 -7.593 -27.870 39.634 0.00 0.00 WAT1 ATOM 2501 H1 TIP3 174 -7.504 -26.926 39.502 0.00 0.00 WAT1 ATOM 2502 H2 TIP3 174 -8.232 -28.145 38.976 0.00 0.00 WAT1 ATOM 2503 OH2 TIP3 175 -4.954 -25.676 41.355 0.00 0.00 WAT1 ATOM 2504 H1 TIP3 175 -5.395 -26.396 41.805 0.00 0.00 WAT1 ATOM 2505 H2 TIP3 175 -4.967 -24.955 41.985 0.00 0.00 WAT1 ATOM 2506 OH2 TIP3 176 -1.608 -34.581 44.320 0.00 0.00 WAT1 ATOM 2507 H1 TIP3 176 -1.559 -33.971 45.056 0.00 0.00 WAT1 ATOM 2508 H2 TIP3 176 -1.182 -34.120 43.597 0.00 0.00 WAT1 ATOM 2509 OH2 TIP3 177 -6.253 -33.556 39.460 0.00 0.00 WAT1 ATOM 2510 H1 TIP3 177 -5.607 -33.885 40.085 0.00 0.00 WAT1 ATOM 2511 H2 TIP3 177 -5.743 -33.038 38.837 0.00 0.00 WAT1 ATOM 2512 OH2 TIP3 178 -7.796 -25.269 38.677 0.00 0.00 WAT1 ATOM 2513 H1 TIP3 178 -8.092 -25.591 37.826 0.00 0.00 WAT1 ATOM 2514 H2 TIP3 178 -8.120 -24.369 38.719 0.00 0.00 WAT1 ATOM 2515 OH2 TIP3 179 -4.489 -34.265 41.441 0.00 0.00 WAT1 ATOM 2516 H1 TIP3 179 -4.704 -35.031 41.973 0.00 0.00 WAT1 ATOM 2517 H2 TIP3 179 -3.833 -33.793 41.954 0.00 0.00 WAT1 ATOM 2518 OH2 TIP3 180 -5.031 -24.154 38.837 0.00 0.00 WAT1 ATOM 2519 H1 TIP3 180 -5.288 -24.844 38.225 0.00 0.00 WAT1 ATOM 2520 H2 TIP3 180 -4.960 -24.597 39.682 0.00 0.00 WAT1 ATOM 2521 OH2 TIP3 181 -8.872 -28.626 37.086 0.00 0.00 WAT1 ATOM 2522 H1 TIP3 181 -9.584 -28.091 36.735 0.00 0.00 WAT1 ATOM 2523 H2 TIP3 181 -8.181 -28.570 36.426 0.00 0.00 WAT1 ATOM 2524 OH2 TIP3 182 -5.466 -28.416 38.038 0.00 0.00 WAT1 ATOM 2525 H1 TIP3 182 -6.198 -28.188 38.611 0.00 0.00 WAT1 ATOM 2526 H2 TIP3 182 -5.019 -29.130 38.493 0.00 0.00 WAT1 ATOM 2527 OH2 TIP3 183 -6.295 -20.407 34.576 0.00 0.00 WAT1 ATOM 2528 H1 TIP3 183 -5.920 -21.151 34.105 0.00 0.00 WAT1 ATOM 2529 H2 TIP3 183 -6.291 -20.677 35.494 0.00 0.00 WAT1 ATOM 2530 OH2 TIP3 184 -6.626 -20.481 37.325 0.00 0.00 WAT1 ATOM 2531 H1 TIP3 184 -7.561 -20.381 37.504 0.00 0.00 WAT1 ATOM 2532 H2 TIP3 184 -6.346 -21.190 37.903 0.00 0.00 WAT1 ATOM 2533 OH2 TIP3 185 -9.545 -34.345 34.023 0.00 0.00 WAT1 ATOM 2534 H1 TIP3 185 -9.799 -34.326 34.946 0.00 0.00 WAT1 ATOM 2535 H2 TIP3 185 -9.802 -35.217 33.722 0.00 0.00 WAT1 ATOM 2536 OH2 TIP3 186 -8.246 -30.957 38.188 0.00 0.00 WAT1 ATOM 2537 H1 TIP3 186 -8.655 -30.142 37.896 0.00 0.00 WAT1 ATOM 2538 H2 TIP3 186 -7.526 -31.097 37.573 0.00 0.00 WAT1 ATOM 2539 OH2 TIP3 187 -7.242 -31.511 41.002 0.00 0.00 WAT1 ATOM 2540 H1 TIP3 187 -7.437 -30.906 40.287 0.00 0.00 WAT1 ATOM 2541 H2 TIP3 187 -7.060 -32.345 40.567 0.00 0.00 WAT1 ATOM 2542 OH2 TIP3 188 -12.663 -33.900 33.124 0.00 0.00 WAT1 ATOM 2543 H1 TIP3 188 -13.094 -34.345 33.854 0.00 0.00 WAT1 ATOM 2544 H2 TIP3 188 -13.381 -33.528 32.612 0.00 0.00 WAT1 ATOM 2545 OH2 TIP3 189 -10.710 -26.557 36.443 0.00 0.00 WAT1 ATOM 2546 H1 TIP3 189 -11.454 -27.064 36.120 0.00 0.00 WAT1 ATOM 2547 H2 TIP3 189 -10.844 -26.508 37.389 0.00 0.00 WAT1 ATOM 2548 OH2 TIP3 190 -8.584 -25.098 35.468 0.00 0.00 WAT1 ATOM 2549 H1 TIP3 190 -8.879 -24.272 35.850 0.00 0.00 WAT1 ATOM 2550 H2 TIP3 190 -9.287 -25.718 35.664 0.00 0.00 WAT1 ATOM 2551 OH2 TIP3 191 -2.913 -22.880 36.462 0.00 0.00 WAT1 ATOM 2552 H1 TIP3 191 -3.286 -23.706 36.772 0.00 0.00 WAT1 ATOM 2553 H2 TIP3 191 -2.636 -23.063 35.565 0.00 0.00 WAT1 ATOM 2554 OH2 TIP3 192 -11.430 -23.792 32.730 0.00 0.00 WAT1 ATOM 2555 H1 TIP3 192 -11.191 -24.540 32.182 0.00 0.00 WAT1 ATOM 2556 H2 TIP3 192 -11.699 -24.180 33.562 0.00 0.00 WAT1 ATOM 2557 OH2 TIP3 193 -7.424 -34.655 37.072 0.00 0.00 WAT1 ATOM 2558 H1 TIP3 193 -7.204 -34.183 36.269 0.00 0.00 WAT1 ATOM 2559 H2 TIP3 193 -6.866 -34.260 37.743 0.00 0.00 WAT1 ATOM 2560 OH2 TIP3 194 -9.755 -22.524 35.935 0.00 0.00 WAT1 ATOM 2561 H1 TIP3 194 -10.572 -22.027 35.988 0.00 0.00 WAT1 ATOM 2562 H2 TIP3 194 -9.226 -22.049 35.295 0.00 0.00 WAT1 ATOM 2563 OH2 TIP3 195 -10.224 -32.927 37.907 0.00 0.00 WAT1 ATOM 2564 H1 TIP3 195 -9.412 -32.423 37.953 0.00 0.00 WAT1 ATOM 2565 H2 TIP3 195 -10.469 -33.072 38.821 0.00 0.00 WAT1 ATOM 2566 OH2 TIP3 196 -9.340 -35.846 38.845 0.00 0.00 WAT1 ATOM 2567 H1 TIP3 196 -9.687 -35.228 39.490 0.00 0.00 WAT1 ATOM 2568 H2 TIP3 196 -8.682 -35.345 38.364 0.00 0.00 WAT1 ATOM 2569 OH2 TIP3 197 -4.882 -30.283 42.023 0.00 0.00 WAT1 ATOM 2570 H1 TIP3 197 -5.679 -30.698 41.694 0.00 0.00 WAT1 ATOM 2571 H2 TIP3 197 -4.437 -30.974 42.514 0.00 0.00 WAT1 ATOM 2572 OH2 TIP3 198 -9.392 -21.929 32.868 0.00 0.00 WAT1 ATOM 2573 H1 TIP3 198 -10.036 -22.560 33.190 0.00 0.00 WAT1 ATOM 2574 H2 TIP3 198 -8.630 -22.460 32.636 0.00 0.00 WAT1 ATOM 2575 OH2 TIP3 199 -8.481 -25.155 32.695 0.00 0.00 WAT1 ATOM 2576 H1 TIP3 199 -8.749 -24.975 33.596 0.00 0.00 WAT1 ATOM 2577 H2 TIP3 199 -8.687 -26.081 32.564 0.00 0.00 WAT1 ATOM 2578 OH2 TIP3 200 -12.684 -28.230 35.265 0.00 0.00 WAT1 ATOM 2579 H1 TIP3 200 -13.143 -28.714 35.951 0.00 0.00 WAT1 ATOM 2580 H2 TIP3 200 -12.429 -28.898 34.629 0.00 0.00 WAT1 ATOM 2581 OH2 TIP3 201 -11.613 -29.987 33.528 0.00 0.00 WAT1 ATOM 2582 H1 TIP3 201 -11.793 -30.141 32.600 0.00 0.00 WAT1 ATOM 2583 H2 TIP3 201 -10.662 -29.879 33.572 0.00 0.00 WAT1 ATOM 2584 OH2 TIP3 202 -3.583 -30.189 39.335 0.00 0.00 WAT1 ATOM 2585 H1 TIP3 202 -3.733 -31.134 39.315 0.00 0.00 WAT1 ATOM 2586 H2 TIP3 202 -3.937 -29.908 40.179 0.00 0.00 WAT1 ATOM 2587 OH2 TIP3 203 -4.341 -20.287 39.446 0.00 0.00 WAT1 ATOM 2588 H1 TIP3 203 -3.688 -20.634 38.838 0.00 0.00 WAT1 ATOM 2589 H2 TIP3 203 -3.830 -19.798 40.092 0.00 0.00 WAT1 ATOM 2590 OH2 TIP3 204 -3.856 -37.553 41.966 0.00 0.00 WAT1 ATOM 2591 H1 TIP3 204 -3.252 -37.005 41.465 0.00 0.00 WAT1 ATOM 2592 H2 TIP3 204 -4.725 -37.233 41.726 0.00 0.00 WAT1 ATOM 2593 OH2 TIP3 205 -6.535 -37.069 41.138 0.00 0.00 WAT1 ATOM 2594 H1 TIP3 205 -6.459 -36.974 40.189 0.00 0.00 WAT1 ATOM 2595 H2 TIP3 205 -6.811 -37.977 41.267 0.00 0.00 WAT1 ATOM 2596 OH2 TIP3 206 -5.182 -37.043 36.831 0.00 0.00 WAT1 ATOM 2597 H1 TIP3 206 -5.885 -36.429 36.621 0.00 0.00 WAT1 ATOM 2598 H2 TIP3 206 -5.627 -37.881 36.962 0.00 0.00 WAT1 ATOM 2599 OH2 TIP3 207 -10.948 -35.019 36.379 0.00 0.00 WAT1 ATOM 2600 H1 TIP3 207 -10.770 -35.665 37.062 0.00 0.00 WAT1 ATOM 2601 H2 TIP3 207 -11.002 -34.185 36.846 0.00 0.00 WAT1 ATOM 2602 OH2 TIP3 208 -2.361 -20.507 37.454 0.00 0.00 WAT1 ATOM 2603 H1 TIP3 208 -2.555 -21.255 36.889 0.00 0.00 WAT1 ATOM 2604 H2 TIP3 208 -2.400 -19.749 36.870 0.00 0.00 WAT1 ATOM 2605 OH2 TIP3 209 -10.573 -13.978 12.479 0.00 0.00 WAT1 ATOM 2606 H1 TIP3 209 -10.809 -14.198 13.381 0.00 0.00 WAT1 ATOM 2607 H2 TIP3 209 -11.356 -14.185 11.970 0.00 0.00 WAT1 ATOM 2608 OH2 TIP3 210 -7.857 -14.851 11.555 0.00 0.00 WAT1 ATOM 2609 H1 TIP3 210 -8.805 -14.819 11.687 0.00 0.00 WAT1 ATOM 2610 H2 TIP3 210 -7.545 -15.476 12.209 0.00 0.00 WAT1 ATOM 2611 OH2 TIP3 211 -6.223 -16.217 13.560 0.00 0.00 WAT1 ATOM 2612 H1 TIP3 211 -6.320 -17.169 13.554 0.00 0.00 WAT1 ATOM 2613 H2 TIP3 211 -6.545 -15.948 14.421 0.00 0.00 WAT1 ATOM 2614 OH2 TIP3 212 -11.615 -19.006 11.587 0.00 0.00 WAT1 ATOM 2615 H1 TIP3 212 -10.903 -19.646 11.573 0.00 0.00 WAT1 ATOM 2616 H2 TIP3 212 -11.716 -18.739 10.673 0.00 0.00 WAT1 ATOM 2617 OH2 TIP3 213 -11.262 -17.323 13.641 0.00 0.00 WAT1 ATOM 2618 H1 TIP3 213 -11.393 -17.799 12.820 0.00 0.00 WAT1 ATOM 2619 H2 TIP3 213 -11.861 -16.579 13.585 0.00 0.00 WAT1 ATOM 2620 OH2 TIP3 214 -1.429 -16.343 12.000 0.00 0.00 WAT1 ATOM 2621 H1 TIP3 214 -2.346 -16.072 11.964 0.00 0.00 WAT1 ATOM 2622 H2 TIP3 214 -1.306 -16.878 11.216 0.00 0.00 WAT1 ATOM 2623 OH2 TIP3 215 -2.428 -18.253 9.819 0.00 0.00 WAT1 ATOM 2624 H1 TIP3 215 -3.241 -17.928 9.431 0.00 0.00 WAT1 ATOM 2625 H2 TIP3 215 -2.195 -19.013 9.286 0.00 0.00 WAT1 ATOM 2626 OH2 TIP3 216 -7.593 -9.014 20.778 0.00 0.00 WAT1 ATOM 2627 H1 TIP3 216 -7.504 -8.070 20.646 0.00 0.00 WAT1 ATOM 2628 H2 TIP3 216 -8.232 -9.289 20.120 0.00 0.00 WAT1 ATOM 2629 OH2 TIP3 217 -8.660 -9.759 24.197 0.00 0.00 WAT1 ATOM 2630 H1 TIP3 217 -8.698 -10.405 24.902 0.00 0.00 WAT1 ATOM 2631 H2 TIP3 217 -8.983 -10.225 23.426 0.00 0.00 WAT1 ATOM 2632 OH2 TIP3 218 -13.975 -14.831 22.203 0.00 0.00 WAT1 ATOM 2633 H1 TIP3 218 -13.932 -13.971 21.785 0.00 0.00 WAT1 ATOM 2634 H2 TIP3 218 -14.433 -15.383 21.570 0.00 0.00 WAT1 ATOM 2635 OH2 TIP3 219 -15.165 -15.913 26.277 0.00 0.00 WAT1 ATOM 2636 H1 TIP3 219 -15.384 -15.383 25.511 0.00 0.00 WAT1 ATOM 2637 H2 TIP3 219 -15.833 -15.686 26.925 0.00 0.00 WAT1 ATOM 2638 OH2 TIP3 220 -1.503 -10.392 26.524 0.00 0.00 WAT1 ATOM 2639 H1 TIP3 220 -2.155 -9.697 26.613 0.00 0.00 WAT1 ATOM 2640 H2 TIP3 220 -1.038 -10.182 25.714 0.00 0.00 WAT1 ATOM 2641 OH2 TIP3 221 -5.466 -9.560 19.182 0.00 0.00 WAT1 ATOM 2642 H1 TIP3 221 -6.198 -9.332 19.755 0.00 0.00 WAT1 ATOM 2643 H2 TIP3 221 -5.019 -10.274 19.637 0.00 0.00 WAT1 ATOM 2644 OH2 TIP3 222 -5.569 -11.386 28.250 0.00 0.00 WAT1 ATOM 2645 H1 TIP3 222 -5.489 -10.623 28.822 0.00 0.00 WAT1 ATOM 2646 H2 TIP3 222 -6.170 -11.107 27.559 0.00 0.00 WAT1 ATOM 2647 OH2 TIP3 223 -3.638 -12.558 30.515 0.00 0.00 WAT1 ATOM 2648 H1 TIP3 223 -4.045 -12.077 29.795 0.00 0.00 WAT1 ATOM 2649 H2 TIP3 223 -3.597 -13.463 30.208 0.00 0.00 WAT1 ATOM 2650 OH2 TIP3 224 -13.870 -17.704 24.508 0.00 0.00 WAT1 ATOM 2651 H1 TIP3 224 -14.731 -17.791 24.100 0.00 0.00 WAT1 ATOM 2652 H2 TIP3 224 -13.892 -16.848 24.935 0.00 0.00 WAT1 ATOM 2653 OH2 TIP3 225 -9.545 -15.489 15.167 0.00 0.00 WAT1 ATOM 2654 H1 TIP3 225 -9.799 -15.470 16.090 0.00 0.00 WAT1 ATOM 2655 H2 TIP3 225 -9.802 -16.361 14.866 0.00 0.00 WAT1 ATOM 2656 OH2 TIP3 226 -13.779 -12.738 25.603 0.00 0.00 WAT1 ATOM 2657 H1 TIP3 226 -14.421 -12.779 26.312 0.00 0.00 WAT1 ATOM 2658 H2 TIP3 226 -13.742 -11.812 25.365 0.00 0.00 WAT1 ATOM 2659 OH2 TIP3 227 -8.246 -12.101 19.332 0.00 0.00 WAT1 ATOM 2660 H1 TIP3 227 -8.655 -11.286 19.040 0.00 0.00 WAT1 ATOM 2661 H2 TIP3 227 -7.526 -12.241 18.717 0.00 0.00 WAT1 ATOM 2662 OH2 TIP3 228 -9.144 -11.926 30.820 0.00 0.00 WAT1 ATOM 2663 H1 TIP3 228 -9.707 -12.630 31.140 0.00 0.00 WAT1 ATOM 2664 H2 TIP3 228 -8.318 -12.046 31.287 0.00 0.00 WAT1 ATOM 2665 OH2 TIP3 229 -7.242 -12.655 22.146 0.00 0.00 WAT1 ATOM 2666 H1 TIP3 229 -7.437 -12.050 21.431 0.00 0.00 WAT1 ATOM 2667 H2 TIP3 229 -7.060 -13.489 21.711 0.00 0.00 WAT1 ATOM 2668 OH2 TIP3 230 -12.663 -15.044 14.268 0.00 0.00 WAT1 ATOM 2669 H1 TIP3 230 -13.094 -15.489 14.998 0.00 0.00 WAT1 ATOM 2670 H2 TIP3 230 -13.381 -14.672 13.756 0.00 0.00 WAT1 ATOM 2671 OH2 TIP3 231 -7.978 -11.017 26.817 0.00 0.00 WAT1 ATOM 2672 H1 TIP3 231 -7.654 -11.648 26.174 0.00 0.00 WAT1 ATOM 2673 H2 TIP3 231 -8.418 -11.552 27.478 0.00 0.00 WAT1 ATOM 2674 OH2 TIP3 232 -11.200 -15.090 21.601 0.00 0.00 WAT1 ATOM 2675 H1 TIP3 232 -12.111 -15.033 21.890 0.00 0.00 WAT1 ATOM 2676 H2 TIP3 232 -10.695 -15.150 22.412 0.00 0.00 WAT1 ATOM 2677 OH2 TIP3 233 -12.719 -13.461 18.084 0.00 0.00 WAT1 ATOM 2678 H1 TIP3 233 -11.787 -13.332 18.262 0.00 0.00 WAT1 ATOM 2679 H2 TIP3 233 -12.934 -12.791 17.435 0.00 0.00 WAT1 ATOM 2680 OH2 TIP3 234 -9.880 -12.302 23.488 0.00 0.00 WAT1 ATOM 2681 H1 TIP3 234 -9.316 -12.849 22.941 0.00 0.00 WAT1 ATOM 2682 H2 TIP3 234 -10.028 -12.824 24.277 0.00 0.00 WAT1 ATOM 2683 OH2 TIP3 235 -14.878 -16.166 19.906 0.00 0.00 WAT1 ATOM 2684 H1 TIP3 235 -15.195 -17.068 19.871 0.00 0.00 WAT1 ATOM 2685 H2 TIP3 235 -14.097 -16.164 19.354 0.00 0.00 WAT1 ATOM 2686 OH2 TIP3 236 -11.254 -13.914 25.902 0.00 0.00 WAT1 ATOM 2687 H1 TIP3 236 -12.089 -13.460 26.012 0.00 0.00 WAT1 ATOM 2688 H2 TIP3 236 -10.730 -13.638 26.654 0.00 0.00 WAT1 ATOM 2689 OH2 TIP3 237 -3.560 -8.568 26.373 0.00 0.00 WAT1 ATOM 2690 H1 TIP3 237 -2.918 -8.111 25.830 0.00 0.00 WAT1 ATOM 2691 H2 TIP3 237 -4.390 -8.455 25.911 0.00 0.00 WAT1 ATOM 2692 OH2 TIP3 238 -6.812 -14.887 15.786 0.00 0.00 WAT1 ATOM 2693 H1 TIP3 238 -7.750 -14.775 15.635 0.00 0.00 WAT1 ATOM 2694 H2 TIP3 238 -6.515 -14.030 16.092 0.00 0.00 WAT1 ATOM 2695 OH2 TIP3 239 -6.094 -13.020 17.447 0.00 0.00 WAT1 ATOM 2696 H1 TIP3 239 -5.202 -13.157 17.766 0.00 0.00 WAT1 ATOM 2697 H2 TIP3 239 -6.037 -12.229 16.910 0.00 0.00 WAT1 ATOM 2698 OH2 TIP3 240 -1.209 -12.810 17.141 0.00 0.00 WAT1 ATOM 2699 H1 TIP3 240 -1.763 -13.206 16.469 0.00 0.00 WAT1 ATOM 2700 H2 TIP3 240 -1.108 -11.900 16.864 0.00 0.00 WAT1 ATOM 2701 OH2 TIP3 241 -5.753 -9.216 24.628 0.00 0.00 WAT1 ATOM 2702 H1 TIP3 241 -6.681 -9.448 24.601 0.00 0.00 WAT1 ATOM 2703 H2 TIP3 241 -5.302 -9.993 24.298 0.00 0.00 WAT1 ATOM 2704 OH2 TIP3 242 -7.424 -15.799 18.216 0.00 0.00 WAT1 ATOM 2705 H1 TIP3 242 -7.204 -15.327 17.413 0.00 0.00 WAT1 ATOM 2706 H2 TIP3 242 -6.866 -15.404 18.887 0.00 0.00 WAT1 ATOM 2707 OH2 TIP3 243 -10.224 -14.071 19.051 0.00 0.00 WAT1 ATOM 2708 H1 TIP3 243 -9.412 -13.567 19.097 0.00 0.00 WAT1 ATOM 2709 H2 TIP3 243 -10.469 -14.216 19.965 0.00 0.00 WAT1 ATOM 2710 OH2 TIP3 244 -9.688 -13.085 28.236 0.00 0.00 WAT1 ATOM 2711 H1 TIP3 244 -9.569 -12.511 28.993 0.00 0.00 WAT1 ATOM 2712 H2 TIP3 244 -9.033 -13.773 28.351 0.00 0.00 WAT1 ATOM 2713 OH2 TIP3 245 -13.683 -15.927 16.677 0.00 0.00 WAT1 ATOM 2714 H1 TIP3 245 -13.766 -15.038 17.023 0.00 0.00 WAT1 ATOM 2715 H2 TIP3 245 -12.793 -16.192 16.908 0.00 0.00 WAT1 ATOM 2716 OH2 TIP3 246 -16.300 -18.053 23.526 0.00 0.00 WAT1 ATOM 2717 H1 TIP3 246 -16.529 -17.994 22.599 0.00 0.00 WAT1 ATOM 2718 H2 TIP3 246 -16.743 -18.845 23.833 0.00 0.00 WAT1 ATOM 2719 OH2 TIP3 247 -5.784 -7.804 28.787 0.00 0.00 WAT1 ATOM 2720 H1 TIP3 247 -5.039 -7.216 28.667 0.00 0.00 WAT1 ATOM 2721 H2 TIP3 247 -6.541 -7.222 28.850 0.00 0.00 WAT1 ATOM 2722 OH2 TIP3 248 -13.055 -14.126 29.848 0.00 0.00 WAT1 ATOM 2723 H1 TIP3 248 -12.905 -14.855 29.245 0.00 0.00 WAT1 ATOM 2724 H2 TIP3 248 -13.053 -13.349 29.289 0.00 0.00 WAT1 ATOM 2725 OH2 TIP3 249 -12.643 -15.756 27.340 0.00 0.00 WAT1 ATOM 2726 H1 TIP3 249 -12.107 -15.305 26.688 0.00 0.00 WAT1 ATOM 2727 H2 TIP3 249 -13.495 -15.864 26.918 0.00 0.00 WAT1 ATOM 2728 OH2 TIP3 250 -11.061 -10.317 27.580 0.00 0.00 WAT1 ATOM 2729 H1 TIP3 250 -10.310 -10.473 27.007 0.00 0.00 WAT1 ATOM 2730 H2 TIP3 250 -11.400 -9.465 27.304 0.00 0.00 WAT1 ATOM 2731 OH2 TIP3 251 -6.645 -12.502 32.608 0.00 0.00 WAT1 ATOM 2732 H1 TIP3 251 -6.453 -13.433 32.497 0.00 0.00 WAT1 ATOM 2733 H2 TIP3 251 -5.788 -12.077 32.598 0.00 0.00 WAT1 ATOM 2734 OH2 TIP3 252 -5.329 -9.713 30.686 0.00 0.00 WAT1 ATOM 2735 H1 TIP3 252 -5.610 -9.004 30.108 0.00 0.00 WAT1 ATOM 2736 H2 TIP3 252 -4.386 -9.786 30.535 0.00 0.00 WAT1 ATOM 2737 OH2 TIP3 253 -11.837 -18.300 27.772 0.00 0.00 WAT1 ATOM 2738 H1 TIP3 253 -11.935 -17.353 27.666 0.00 0.00 WAT1 ATOM 2739 H2 TIP3 253 -12.580 -18.672 27.296 0.00 0.00 WAT1 ATOM 2740 OH2 TIP3 254 -10.573 -13.978 31.335 0.00 0.00 WAT1 ATOM 2741 H1 TIP3 254 -10.809 -14.198 32.237 0.00 0.00 WAT1 ATOM 2742 H2 TIP3 254 -11.356 -14.185 30.826 0.00 0.00 WAT1 ATOM 2743 OH2 TIP3 255 -7.857 -14.851 30.411 0.00 0.00 WAT1 ATOM 2744 H1 TIP3 255 -8.805 -14.819 30.543 0.00 0.00 WAT1 ATOM 2745 H2 TIP3 255 -7.545 -15.476 31.065 0.00 0.00 WAT1 ATOM 2746 OH2 TIP3 256 -6.223 -16.217 32.416 0.00 0.00 WAT1 ATOM 2747 H1 TIP3 256 -6.320 -17.169 32.410 0.00 0.00 WAT1 ATOM 2748 H2 TIP3 256 -6.545 -15.948 33.277 0.00 0.00 WAT1 ATOM 2749 OH2 TIP3 257 -11.615 -19.006 30.443 0.00 0.00 WAT1 ATOM 2750 H1 TIP3 257 -10.903 -19.646 30.429 0.00 0.00 WAT1 ATOM 2751 H2 TIP3 257 -11.716 -18.739 29.529 0.00 0.00 WAT1 ATOM 2752 OH2 TIP3 258 -1.370 -9.854 19.916 0.00 0.00 WAT1 ATOM 2753 H1 TIP3 258 -2.096 -10.333 20.314 0.00 0.00 WAT1 ATOM 2754 H2 TIP3 258 -0.789 -9.648 20.648 0.00 0.00 WAT1 ATOM 2755 OH2 TIP3 259 -3.583 -11.333 20.479 0.00 0.00 WAT1 ATOM 2756 H1 TIP3 259 -3.733 -12.278 20.459 0.00 0.00 WAT1 ATOM 2757 H2 TIP3 259 -3.937 -11.052 21.323 0.00 0.00 WAT1 ATOM 2758 OH2 TIP3 260 -2.727 -9.363 30.118 0.00 0.00 WAT1 ATOM 2759 H1 TIP3 260 -2.144 -10.097 30.309 0.00 0.00 WAT1 ATOM 2760 H2 TIP3 260 -2.163 -8.591 30.164 0.00 0.00 WAT1 ATOM 2761 OH2 TIP3 261 -1.230 -11.460 30.802 0.00 0.00 WAT1 ATOM 2762 H1 TIP3 261 -2.093 -11.839 30.637 0.00 0.00 WAT1 ATOM 2763 H2 TIP3 261 -0.626 -12.199 30.728 0.00 0.00 WAT1 ATOM 2764 OH2 TIP3 262 -3.505 -15.305 13.975 0.00 0.00 WAT1 ATOM 2765 H1 TIP3 262 -2.895 -15.677 14.612 0.00 0.00 WAT1 ATOM 2766 H2 TIP3 262 -4.342 -15.727 14.171 0.00 0.00 WAT1 ATOM 2767 OH2 TIP3 263 -3.873 -13.750 18.941 0.00 0.00 WAT1 ATOM 2768 H1 TIP3 263 -3.593 -14.657 19.066 0.00 0.00 WAT1 ATOM 2769 H2 TIP3 263 -3.114 -13.316 18.552 0.00 0.00 WAT1 ATOM 2770 OH2 TIP3 264 -1.429 -16.343 30.856 0.00 0.00 WAT1 ATOM 2771 H1 TIP3 264 -2.346 -16.072 30.820 0.00 0.00 WAT1 ATOM 2772 H2 TIP3 264 -1.306 -16.878 30.072 0.00 0.00 WAT1 ATOM 2773 OH2 TIP3 265 -1.393 -16.420 15.518 0.00 0.00 WAT1 ATOM 2774 H1 TIP3 265 -0.980 -17.141 15.042 0.00 0.00 WAT1 ATOM 2775 H2 TIP3 265 -0.711 -15.750 15.576 0.00 0.00 WAT1 ATOM 2776 OH2 TIP3 266 -16.672 -18.170 20.820 0.00 0.00 WAT1 ATOM 2777 H1 TIP3 266 -17.449 -18.404 20.312 0.00 0.00 WAT1 ATOM 2778 H2 TIP3 266 -16.141 -18.967 20.828 0.00 0.00 WAT1 ATOM 2779 OH2 TIP3 267 -12.092 -18.243 20.633 0.00 0.00 WAT1 ATOM 2780 H1 TIP3 267 -11.218 -17.855 20.603 0.00 0.00 WAT1 ATOM 2781 H2 TIP3 267 -12.228 -18.458 21.556 0.00 0.00 WAT1 ATOM 2782 OH2 TIP3 268 -10.948 -16.163 17.523 0.00 0.00 WAT1 ATOM 2783 H1 TIP3 268 -10.770 -16.809 18.206 0.00 0.00 WAT1 ATOM 2784 H2 TIP3 268 -11.002 -15.329 17.990 0.00 0.00 WAT1 ATOM 2785 OH2 TIP3 269 -6.319 -18.973 32.055 0.00 0.00 WAT1 ATOM 2786 H1 TIP3 269 -6.243 -19.399 32.909 0.00 0.00 WAT1 ATOM 2787 H2 TIP3 269 -5.426 -18.959 31.713 0.00 0.00 WAT1 ATOM 2788 OH2 TIP3 270 -2.897 -18.648 35.536 0.00 0.00 WAT1 ATOM 2789 H1 TIP3 270 -3.796 -18.509 35.831 0.00 0.00 WAT1 ATOM 2790 H2 TIP3 270 -2.645 -17.817 35.134 0.00 0.00 WAT1 ATOM 2791 OH2 TIP3 271 -1.209 -12.810 35.997 0.00 0.00 WAT1 ATOM 2792 H1 TIP3 271 -1.763 -13.206 35.325 0.00 0.00 WAT1 ATOM 2793 H2 TIP3 271 -1.108 -11.900 35.720 0.00 0.00 WAT1 ATOM 2794 OH2 TIP3 272 -2.753 -12.713 33.714 0.00 0.00 WAT1 ATOM 2795 H1 TIP3 272 -2.656 -12.046 33.034 0.00 0.00 WAT1 ATOM 2796 H2 TIP3 272 -2.893 -13.529 33.232 0.00 0.00 WAT1 ATOM 2797 OH2 TIP3 273 -3.505 -15.305 32.831 0.00 0.00 WAT1 ATOM 2798 H1 TIP3 273 -2.895 -15.677 33.468 0.00 0.00 WAT1 ATOM 2799 H2 TIP3 273 -4.342 -15.727 33.027 0.00 0.00 WAT1 ATOM 2800 OH2 TIP3 274 -3.259 -16.487 37.846 0.00 0.00 WAT1 ATOM 2801 H1 TIP3 274 -3.077 -16.936 38.671 0.00 0.00 WAT1 ATOM 2802 H2 TIP3 274 -3.859 -17.072 37.382 0.00 0.00 WAT1 ATOM 2803 OH2 TIP3 275 -2.129 -17.558 40.300 0.00 0.00 WAT1 ATOM 2804 H1 TIP3 275 -1.517 -18.072 39.773 0.00 0.00 WAT1 ATOM 2805 H2 TIP3 275 -1.746 -16.680 40.323 0.00 0.00 WAT1 ATOM 2806 OH2 TIP3 276 -5.182 -18.187 36.831 0.00 0.00 WAT1 ATOM 2807 H1 TIP3 276 -5.885 -17.573 36.621 0.00 0.00 WAT1 ATOM 2808 H2 TIP3 276 -5.627 -19.025 36.962 0.00 0.00 WAT1 ATOM 2809 OH2 TIP3 277 4.521 -41.402 11.323 0.00 0.00 WAT1 ATOM 2810 H1 TIP3 277 4.529 -41.538 10.375 0.00 0.00 WAT1 ATOM 2811 H2 TIP3 277 3.605 -41.520 11.575 0.00 0.00 WAT1 ATOM 2812 OH2 TIP3 278 18.066 -41.763 11.179 0.00 0.00 WAT1 ATOM 2813 H1 TIP3 278 18.017 -42.718 11.142 0.00 0.00 WAT1 ATOM 2814 H2 TIP3 278 17.240 -41.495 11.581 0.00 0.00 WAT1 ATOM 2815 OH2 TIP3 279 9.045 -42.189 10.055 0.00 0.00 WAT1 ATOM 2816 H1 TIP3 279 9.132 -41.363 10.530 0.00 0.00 WAT1 ATOM 2817 H2 TIP3 279 8.181 -42.519 10.304 0.00 0.00 WAT1 ATOM 2818 OH2 TIP3 280 11.916 -42.767 9.918 0.00 0.00 WAT1 ATOM 2819 H1 TIP3 280 11.015 -42.584 9.650 0.00 0.00 WAT1 ATOM 2820 H2 TIP3 280 11.950 -42.508 10.839 0.00 0.00 WAT1 ATOM 2821 OH2 TIP3 281 13.791 -40.137 9.966 0.00 0.00 WAT1 ATOM 2822 H1 TIP3 281 13.189 -40.692 9.471 0.00 0.00 WAT1 ATOM 2823 H2 TIP3 281 14.072 -39.470 9.340 0.00 0.00 WAT1 ATOM 2824 OH2 TIP3 282 0.775 -39.212 12.161 0.00 0.00 WAT1 ATOM 2825 H1 TIP3 282 1.315 -39.429 12.920 0.00 0.00 WAT1 ATOM 2826 H2 TIP3 282 0.294 -40.018 11.971 0.00 0.00 WAT1 ATOM 2827 OH2 TIP3 283 5.372 -40.293 13.781 0.00 0.00 WAT1 ATOM 2828 H1 TIP3 283 6.140 -40.752 14.122 0.00 0.00 WAT1 ATOM 2829 H2 TIP3 283 5.351 -40.519 12.851 0.00 0.00 WAT1 ATOM 2830 OH2 TIP3 284 11.949 -41.913 12.510 0.00 0.00 WAT1 ATOM 2831 H1 TIP3 284 11.598 -42.769 12.753 0.00 0.00 WAT1 ATOM 2832 H2 TIP3 284 12.675 -41.770 13.117 0.00 0.00 WAT1 ATOM 2833 OH2 TIP3 285 10.481 -46.722 13.187 0.00 0.00 WAT1 ATOM 2834 H1 TIP3 285 11.434 -46.638 13.159 0.00 0.00 WAT1 ATOM 2835 H2 TIP3 285 10.321 -47.433 13.806 0.00 0.00 WAT1 ATOM 2836 OH2 TIP3 286 17.777 -39.233 6.162 0.00 0.00 WAT1 ATOM 2837 H1 TIP3 286 17.755 -39.048 7.101 0.00 0.00 WAT1 ATOM 2838 H2 TIP3 286 18.467 -38.664 5.821 0.00 0.00 WAT1 ATOM 2839 OH2 TIP3 287 17.340 -39.666 9.084 0.00 0.00 WAT1 ATOM 2840 H1 TIP3 287 16.853 -40.401 8.713 0.00 0.00 WAT1 ATOM 2841 H2 TIP3 287 17.889 -40.059 9.762 0.00 0.00 WAT1 ATOM 2842 OH2 TIP3 288 15.791 -43.876 13.722 0.00 0.00 WAT1 ATOM 2843 H1 TIP3 288 14.925 -43.981 14.116 0.00 0.00 WAT1 ATOM 2844 H2 TIP3 288 16.167 -43.117 14.169 0.00 0.00 WAT1 ATOM 2845 OH2 TIP3 289 15.732 -41.903 8.315 0.00 0.00 WAT1 ATOM 2846 H1 TIP3 289 15.084 -41.578 8.940 0.00 0.00 WAT1 ATOM 2847 H2 TIP3 289 15.214 -42.343 7.640 0.00 0.00 WAT1 ATOM 2848 OH2 TIP3 290 9.165 -39.840 11.495 0.00 0.00 WAT1 ATOM 2849 H1 TIP3 290 9.350 -40.174 12.373 0.00 0.00 WAT1 ATOM 2850 H2 TIP3 290 10.012 -39.531 11.173 0.00 0.00 WAT1 ATOM 2851 OH2 TIP3 291 11.510 -38.555 10.739 0.00 0.00 WAT1 ATOM 2852 H1 TIP3 291 12.187 -39.187 10.499 0.00 0.00 WAT1 ATOM 2853 H2 TIP3 291 11.832 -38.153 11.547 0.00 0.00 WAT1 ATOM 2854 OH2 TIP3 292 2.256 -37.983 8.583 0.00 0.00 WAT1 ATOM 2855 H1 TIP3 292 1.536 -37.543 8.132 0.00 0.00 WAT1 ATOM 2856 H2 TIP3 292 1.890 -38.234 9.432 0.00 0.00 WAT1 ATOM 2857 OH2 TIP3 293 4.723 -38.383 7.613 0.00 0.00 WAT1 ATOM 2858 H1 TIP3 293 3.858 -38.311 8.017 0.00 0.00 WAT1 ATOM 2859 H2 TIP3 293 4.668 -37.836 6.829 0.00 0.00 WAT1 ATOM 2860 OH2 TIP3 294 14.366 -38.047 8.029 0.00 0.00 WAT1 ATOM 2861 H1 TIP3 294 14.184 -37.131 7.818 0.00 0.00 WAT1 ATOM 2862 H2 TIP3 294 14.542 -38.457 7.182 0.00 0.00 WAT1 ATOM 2863 OH2 TIP3 295 15.713 -40.612 11.892 0.00 0.00 WAT1 ATOM 2864 H1 TIP3 295 14.931 -40.798 11.372 0.00 0.00 WAT1 ATOM 2865 H2 TIP3 295 15.641 -39.683 12.109 0.00 0.00 WAT1 ATOM 2866 OH2 TIP3 296 11.263 -46.726 20.778 0.00 0.00 WAT1 ATOM 2867 H1 TIP3 296 11.352 -45.782 20.646 0.00 0.00 WAT1 ATOM 2868 H2 TIP3 296 10.624 -47.001 20.120 0.00 0.00 WAT1 ATOM 2869 OH2 TIP3 297 2.564 -47.856 25.790 0.00 0.00 WAT1 ATOM 2870 H1 TIP3 297 2.606 -48.482 26.514 0.00 0.00 WAT1 ATOM 2871 H2 TIP3 297 3.267 -47.233 25.972 0.00 0.00 WAT1 ATOM 2872 OH2 TIP3 298 11.726 -50.644 24.931 0.00 0.00 WAT1 ATOM 2873 H1 TIP3 298 11.869 -51.591 24.951 0.00 0.00 WAT1 ATOM 2874 H2 TIP3 298 11.620 -50.437 24.002 0.00 0.00 WAT1 ATOM 2875 OH2 TIP3 299 6.657 -48.596 22.181 0.00 0.00 WAT1 ATOM 2876 H1 TIP3 299 7.273 -49.122 22.690 0.00 0.00 WAT1 ATOM 2877 H2 TIP3 299 6.071 -49.236 21.777 0.00 0.00 WAT1 ATOM 2878 OH2 TIP3 300 9.984 -47.482 18.230 0.00 0.00 WAT1 ATOM 2879 H1 TIP3 300 9.272 -46.947 17.879 0.00 0.00 WAT1 ATOM 2880 H2 TIP3 300 10.675 -47.426 17.570 0.00 0.00 WAT1 ATOM 2881 OH2 TIP3 301 17.353 -48.104 26.524 0.00 0.00 WAT1 ATOM 2882 H1 TIP3 301 16.701 -47.409 26.613 0.00 0.00 WAT1 ATOM 2883 H2 TIP3 301 17.818 -47.894 25.714 0.00 0.00 WAT1 ATOM 2884 OH2 TIP3 302 13.390 -47.272 19.182 0.00 0.00 WAT1 ATOM 2885 H1 TIP3 302 12.658 -47.044 19.755 0.00 0.00 WAT1 ATOM 2886 H2 TIP3 302 13.837 -47.986 19.637 0.00 0.00 WAT1 ATOM 2887 OH2 TIP3 303 13.287 -49.098 28.250 0.00 0.00 WAT1 ATOM 2888 H1 TIP3 303 13.367 -48.335 28.822 0.00 0.00 WAT1 ATOM 2889 H2 TIP3 303 12.686 -48.819 27.559 0.00 0.00 WAT1 ATOM 2890 OH2 TIP3 304 5.035 -46.642 21.065 0.00 0.00 WAT1 ATOM 2891 H1 TIP3 304 4.705 -47.012 20.246 0.00 0.00 WAT1 ATOM 2892 H2 TIP3 304 5.623 -47.312 21.411 0.00 0.00 WAT1 ATOM 2893 OH2 TIP3 305 6.402 -43.214 23.746 0.00 0.00 WAT1 ATOM 2894 H1 TIP3 305 6.307 -43.792 22.989 0.00 0.00 WAT1 ATOM 2895 H2 TIP3 305 7.131 -43.585 24.242 0.00 0.00 WAT1 ATOM 2896 OH2 TIP3 306 5.402 -47.873 24.698 0.00 0.00 WAT1 ATOM 2897 H1 TIP3 306 5.967 -47.752 23.935 0.00 0.00 WAT1 ATOM 2898 H2 TIP3 306 5.721 -47.236 25.337 0.00 0.00 WAT1 ATOM 2899 OH2 TIP3 307 12.261 -48.110 16.867 0.00 0.00 WAT1 ATOM 2900 H1 TIP3 307 12.840 -47.960 17.614 0.00 0.00 WAT1 ATOM 2901 H2 TIP3 307 12.675 -47.639 16.144 0.00 0.00 WAT1 ATOM 2902 OH2 TIP3 308 3.202 -47.276 28.644 0.00 0.00 WAT1 ATOM 2903 H1 TIP3 308 3.272 -46.625 29.342 0.00 0.00 WAT1 ATOM 2904 H2 TIP3 308 2.311 -47.173 28.309 0.00 0.00 WAT1 ATOM 2905 OH2 TIP3 309 17.149 -41.994 15.057 0.00 0.00 WAT1 ATOM 2906 H1 TIP3 309 17.222 -41.055 15.227 0.00 0.00 WAT1 ATOM 2907 H2 TIP3 309 18.054 -42.299 15.000 0.00 0.00 WAT1 ATOM 2908 OH2 TIP3 310 15.218 -50.270 30.515 0.00 0.00 WAT1 ATOM 2909 H1 TIP3 310 14.811 -49.789 29.795 0.00 0.00 WAT1 ATOM 2910 H2 TIP3 310 15.259 -51.175 30.208 0.00 0.00 WAT1 ATOM 2911 OH2 TIP3 311 12.975 -51.938 28.736 0.00 0.00 WAT1 ATOM 2912 H1 TIP3 311 12.461 -52.064 29.533 0.00 0.00 WAT1 ATOM 2913 H2 TIP3 311 12.820 -51.026 28.491 0.00 0.00 WAT1 ATOM 2914 OH2 TIP3 312 13.738 -47.077 14.497 0.00 0.00 WAT1 ATOM 2915 H1 TIP3 312 13.780 -47.300 13.567 0.00 0.00 WAT1 ATOM 2916 H2 TIP3 312 14.587 -46.679 14.687 0.00 0.00 WAT1 ATOM 2917 OH2 TIP3 313 5.077 -50.450 25.603 0.00 0.00 WAT1 ATOM 2918 H1 TIP3 313 4.435 -50.491 26.312 0.00 0.00 WAT1 ATOM 2919 H2 TIP3 313 5.114 -49.524 25.365 0.00 0.00 WAT1 ATOM 2920 OH2 TIP3 314 9.712 -49.638 30.820 0.00 0.00 WAT1 ATOM 2921 H1 TIP3 314 9.149 -50.342 31.140 0.00 0.00 WAT1 ATOM 2922 H2 TIP3 314 10.538 -49.758 31.287 0.00 0.00 WAT1 ATOM 2923 OH2 TIP3 315 11.614 -50.367 22.146 0.00 0.00 WAT1 ATOM 2924 H1 TIP3 315 11.419 -49.762 21.431 0.00 0.00 WAT1 ATOM 2925 H2 TIP3 315 11.796 -51.201 21.711 0.00 0.00 WAT1 ATOM 2926 OH2 TIP3 316 2.827 -50.130 27.470 0.00 0.00 WAT1 ATOM 2927 H1 TIP3 316 2.789 -49.730 28.338 0.00 0.00 WAT1 ATOM 2928 H2 TIP3 316 2.336 -50.947 27.560 0.00 0.00 WAT1 ATOM 2929 OH2 TIP3 317 8.976 -50.014 23.488 0.00 0.00 WAT1 ATOM 2930 H1 TIP3 317 9.540 -50.561 22.941 0.00 0.00 WAT1 ATOM 2931 H2 TIP3 317 8.828 -50.536 24.277 0.00 0.00 WAT1 ATOM 2932 OH2 TIP3 318 7.602 -51.626 25.902 0.00 0.00 WAT1 ATOM 2933 H1 TIP3 318 6.767 -51.172 26.012 0.00 0.00 WAT1 ATOM 2934 H2 TIP3 318 8.126 -51.350 26.654 0.00 0.00 WAT1 ATOM 2935 OH2 TIP3 319 8.146 -45.413 17.587 0.00 0.00 WAT1 ATOM 2936 H1 TIP3 319 7.402 -45.920 17.264 0.00 0.00 WAT1 ATOM 2937 H2 TIP3 319 8.012 -45.364 18.533 0.00 0.00 WAT1 ATOM 2938 OH2 TIP3 320 15.296 -46.280 26.373 0.00 0.00 WAT1 ATOM 2939 H1 TIP3 320 15.938 -45.823 25.830 0.00 0.00 WAT1 ATOM 2940 H2 TIP3 320 14.466 -46.167 25.911 0.00 0.00 WAT1 ATOM 2941 OH2 TIP3 321 3.271 -46.118 23.356 0.00 0.00 WAT1 ATOM 2942 H1 TIP3 321 4.016 -46.120 22.755 0.00 0.00 WAT1 ATOM 2943 H2 TIP3 321 3.349 -46.942 23.838 0.00 0.00 WAT1 ATOM 2944 OH2 TIP3 322 0.279 -47.657 28.671 0.00 0.00 WAT1 ATOM 2945 H1 TIP3 322 0.502 -48.075 29.503 0.00 0.00 WAT1 ATOM 2946 H2 TIP3 322 -0.323 -48.270 28.249 0.00 0.00 WAT1 ATOM 2947 OH2 TIP3 323 7.296 -48.140 30.884 0.00 0.00 WAT1 ATOM 2948 H1 TIP3 323 7.000 -48.306 29.989 0.00 0.00 WAT1 ATOM 2949 H2 TIP3 323 8.227 -48.360 30.874 0.00 0.00 WAT1 ATOM 2950 OH2 TIP3 324 13.103 -46.928 24.628 0.00 0.00 WAT1 ATOM 2951 H1 TIP3 324 12.175 -47.160 24.601 0.00 0.00 WAT1 ATOM 2952 H2 TIP3 324 13.554 -47.705 24.298 0.00 0.00 WAT1 ATOM 2953 OH2 TIP3 325 5.646 -42.600 20.761 0.00 0.00 WAT1 ATOM 2954 H1 TIP3 325 6.173 -41.827 20.560 0.00 0.00 WAT1 ATOM 2955 H2 TIP3 325 4.766 -42.375 20.459 0.00 0.00 WAT1 ATOM 2956 OH2 TIP3 326 7.073 -44.937 20.337 0.00 0.00 WAT1 ATOM 2957 H1 TIP3 326 6.832 -44.012 20.379 0.00 0.00 WAT1 ATOM 2958 H2 TIP3 326 6.333 -45.396 20.733 0.00 0.00 WAT1 ATOM 2959 OH2 TIP3 327 7.426 -42.648 13.874 0.00 0.00 WAT1 ATOM 2960 H1 TIP3 327 7.665 -43.396 13.326 0.00 0.00 WAT1 ATOM 2961 H2 TIP3 327 7.157 -43.036 14.706 0.00 0.00 WAT1 ATOM 2962 OH2 TIP3 328 6.363 -43.078 16.330 0.00 0.00 WAT1 ATOM 2963 H1 TIP3 328 6.510 -43.598 17.120 0.00 0.00 WAT1 ATOM 2964 H2 TIP3 328 6.360 -42.171 16.636 0.00 0.00 WAT1 ATOM 2965 OH2 TIP3 329 10.648 -53.163 27.119 0.00 0.00 WAT1 ATOM 2966 H1 TIP3 329 11.346 -53.089 27.769 0.00 0.00 WAT1 ATOM 2967 H2 TIP3 329 10.267 -54.027 27.274 0.00 0.00 WAT1 ATOM 2968 OH2 TIP3 330 9.101 -41.380 17.079 0.00 0.00 WAT1 ATOM 2969 H1 TIP3 330 8.284 -40.883 17.132 0.00 0.00 WAT1 ATOM 2970 H2 TIP3 330 9.630 -40.905 16.439 0.00 0.00 WAT1 ATOM 2971 OH2 TIP3 331 9.168 -50.797 28.236 0.00 0.00 WAT1 ATOM 2972 H1 TIP3 331 9.287 -50.223 28.993 0.00 0.00 WAT1 ATOM 2973 H2 TIP3 331 9.823 -51.485 28.351 0.00 0.00 WAT1 ATOM 2974 OH2 TIP3 332 6.439 -40.337 17.061 0.00 0.00 WAT1 ATOM 2975 H1 TIP3 332 6.600 -39.537 16.560 0.00 0.00 WAT1 ATOM 2976 H2 TIP3 332 6.242 -40.030 17.946 0.00 0.00 WAT1 ATOM 2977 OH2 TIP3 333 15.372 -52.890 29.071 0.00 0.00 WAT1 ATOM 2978 H1 TIP3 333 14.456 -52.627 28.983 0.00 0.00 WAT1 ATOM 2979 H2 TIP3 333 15.708 -52.893 28.174 0.00 0.00 WAT1 ATOM 2980 OH2 TIP3 334 13.974 -49.139 23.167 0.00 0.00 WAT1 ATOM 2981 H1 TIP3 334 13.177 -49.554 22.838 0.00 0.00 WAT1 ATOM 2982 H2 TIP3 334 14.419 -49.830 23.658 0.00 0.00 WAT1 ATOM 2983 OH2 TIP3 335 3.432 -43.211 15.737 0.00 0.00 WAT1 ATOM 2984 H1 TIP3 335 4.024 -42.512 16.013 0.00 0.00 WAT1 ATOM 2985 H2 TIP3 335 3.891 -43.644 15.018 0.00 0.00 WAT1 ATOM 2986 OH2 TIP3 336 1.486 -41.825 19.687 0.00 0.00 WAT1 ATOM 2987 H1 TIP3 336 0.654 -41.352 19.714 0.00 0.00 WAT1 ATOM 2988 H2 TIP3 336 2.032 -41.315 19.088 0.00 0.00 WAT1 ATOM 2989 OH2 TIP3 337 9.464 -40.785 14.012 0.00 0.00 WAT1 ATOM 2990 H1 TIP3 337 8.820 -41.416 14.334 0.00 0.00 WAT1 ATOM 2991 H2 TIP3 337 10.226 -41.316 13.780 0.00 0.00 WAT1 ATOM 2992 OH2 TIP3 338 10.375 -44.011 13.839 0.00 0.00 WAT1 ATOM 2993 H1 TIP3 338 10.107 -43.831 14.740 0.00 0.00 WAT1 ATOM 2994 H2 TIP3 338 10.169 -44.937 13.708 0.00 0.00 WAT1 ATOM 2995 OH2 TIP3 339 1.514 -48.202 31.391 0.00 0.00 WAT1 ATOM 2996 H1 TIP3 339 1.922 -49.059 31.270 0.00 0.00 WAT1 ATOM 2997 H2 TIP3 339 1.254 -48.187 32.312 0.00 0.00 WAT1 ATOM 2998 OH2 TIP3 340 5.461 -49.193 28.765 0.00 0.00 WAT1 ATOM 2999 H1 TIP3 340 4.843 -48.518 29.046 0.00 0.00 WAT1 ATOM 3000 H2 TIP3 340 5.805 -48.872 27.932 0.00 0.00 WAT1 ATOM 3001 OH2 TIP3 341 16.633 -46.488 14.117 0.00 0.00 WAT1 ATOM 3002 H1 TIP3 341 16.360 -46.913 13.304 0.00 0.00 WAT1 ATOM 3003 H2 TIP3 341 16.673 -45.557 13.900 0.00 0.00 WAT1 ATOM 3004 OH2 TIP3 342 12.211 -50.214 32.608 0.00 0.00 WAT1 ATOM 3005 H1 TIP3 342 12.403 -51.145 32.497 0.00 0.00 WAT1 ATOM 3006 H2 TIP3 342 13.068 -49.789 32.598 0.00 0.00 WAT1 ATOM 3007 OH2 TIP3 343 4.279 -50.640 31.759 0.00 0.00 WAT1 ATOM 3008 H1 TIP3 343 3.512 -51.172 31.549 0.00 0.00 WAT1 ATOM 3009 H2 TIP3 343 4.958 -50.950 31.160 0.00 0.00 WAT1 ATOM 3010 OH2 TIP3 344 8.283 -51.690 31.335 0.00 0.00 WAT1 ATOM 3011 H1 TIP3 344 8.047 -51.910 32.237 0.00 0.00 WAT1 ATOM 3012 H2 TIP3 344 7.500 -51.897 30.826 0.00 0.00 WAT1 ATOM 3013 OH2 TIP3 345 10.999 -52.563 30.411 0.00 0.00 WAT1 ATOM 3014 H1 TIP3 345 10.051 -52.531 30.543 0.00 0.00 WAT1 ATOM 3015 H2 TIP3 345 11.311 -53.188 31.065 0.00 0.00 WAT1 ATOM 3016 OH2 TIP3 346 17.092 -45.619 18.092 0.00 0.00 WAT1 ATOM 3017 H1 TIP3 346 17.942 -45.198 18.220 0.00 0.00 WAT1 ATOM 3018 H2 TIP3 346 17.097 -46.359 18.700 0.00 0.00 WAT1 ATOM 3019 OH2 TIP3 347 17.486 -47.566 19.916 0.00 0.00 WAT1 ATOM 3020 H1 TIP3 347 16.760 -48.045 20.314 0.00 0.00 WAT1 ATOM 3021 H2 TIP3 347 18.067 -47.360 20.648 0.00 0.00 WAT1 ATOM 3022 OH2 TIP3 348 17.754 -47.665 16.307 0.00 0.00 WAT1 ATOM 3023 H1 TIP3 348 17.233 -47.308 15.588 0.00 0.00 WAT1 ATOM 3024 H2 TIP3 348 17.721 -46.990 16.985 0.00 0.00 WAT1 ATOM 3025 OH2 TIP3 349 15.273 -49.045 20.479 0.00 0.00 WAT1 ATOM 3026 H1 TIP3 349 15.123 -49.990 20.459 0.00 0.00 WAT1 ATOM 3027 H2 TIP3 349 14.919 -48.764 21.323 0.00 0.00 WAT1 ATOM 3028 OH2 TIP3 350 0.308 -46.967 24.489 0.00 0.00 WAT1 ATOM 3029 H1 TIP3 350 0.492 -47.049 23.554 0.00 0.00 WAT1 ATOM 3030 H2 TIP3 350 1.157 -47.091 24.913 0.00 0.00 WAT1 ATOM 3031 OH2 TIP3 351 17.626 -49.172 30.802 0.00 0.00 WAT1 ATOM 3032 H1 TIP3 351 16.763 -49.551 30.637 0.00 0.00 WAT1 ATOM 3033 H2 TIP3 351 18.230 -49.911 30.728 0.00 0.00 WAT1 ATOM 3034 OH2 TIP3 352 15.624 -50.144 27.153 0.00 0.00 WAT1 ATOM 3035 H1 TIP3 352 14.781 -49.876 27.519 0.00 0.00 WAT1 ATOM 3036 H2 TIP3 352 16.067 -49.322 26.942 0.00 0.00 WAT1 ATOM 3037 OH2 TIP3 353 0.922 -40.136 17.521 0.00 0.00 WAT1 ATOM 3038 H1 TIP3 353 0.237 -40.174 16.853 0.00 0.00 WAT1 ATOM 3039 H2 TIP3 353 0.925 -39.223 17.809 0.00 0.00 WAT1 ATOM 3040 OH2 TIP3 354 2.740 -39.216 14.546 0.00 0.00 WAT1 ATOM 3041 H1 TIP3 354 2.472 -38.929 15.419 0.00 0.00 WAT1 ATOM 3042 H2 TIP3 354 3.511 -39.762 14.698 0.00 0.00 WAT1 ATOM 3043 OH2 TIP3 355 11.263 -46.726 39.634 0.00 0.00 WAT1 ATOM 3044 H1 TIP3 355 11.352 -45.782 39.502 0.00 0.00 WAT1 ATOM 3045 H2 TIP3 355 10.624 -47.001 38.976 0.00 0.00 WAT1 ATOM 3046 OH2 TIP3 356 10.196 -47.471 43.053 0.00 0.00 WAT1 ATOM 3047 H1 TIP3 356 10.158 -48.117 43.758 0.00 0.00 WAT1 ATOM 3048 H2 TIP3 356 9.873 -47.937 42.282 0.00 0.00 WAT1 ATOM 3049 OH2 TIP3 357 13.902 -44.532 41.355 0.00 0.00 WAT1 ATOM 3050 H1 TIP3 357 13.461 -45.252 41.805 0.00 0.00 WAT1 ATOM 3051 H2 TIP3 357 13.889 -43.811 41.985 0.00 0.00 WAT1 ATOM 3052 OH2 TIP3 358 3.488 -43.406 43.181 0.00 0.00 WAT1 ATOM 3053 H1 TIP3 358 3.118 -44.208 42.812 0.00 0.00 WAT1 ATOM 3054 H2 TIP3 358 4.429 -43.575 43.228 0.00 0.00 WAT1 ATOM 3055 OH2 TIP3 359 0.098 -49.746 38.574 0.00 0.00 WAT1 ATOM 3056 H1 TIP3 359 -0.350 -48.900 38.556 0.00 0.00 WAT1 ATOM 3057 H2 TIP3 359 -0.463 -50.326 38.059 0.00 0.00 WAT1 ATOM 3058 OH2 TIP3 360 0.808 -47.584 40.700 0.00 0.00 WAT1 ATOM 3059 H1 TIP3 360 1.022 -48.354 41.227 0.00 0.00 WAT1 ATOM 3060 H2 TIP3 360 1.546 -47.495 40.097 0.00 0.00 WAT1 ATOM 3061 OH2 TIP3 361 8.585 -45.038 43.459 0.00 0.00 WAT1 ATOM 3062 H1 TIP3 361 8.889 -45.724 42.865 0.00 0.00 WAT1 ATOM 3063 H2 TIP3 361 9.307 -44.920 44.077 0.00 0.00 WAT1 ATOM 3064 OH2 TIP3 362 6.657 -48.596 41.037 0.00 0.00 WAT1 ATOM 3065 H1 TIP3 362 7.273 -49.122 41.546 0.00 0.00 WAT1 ATOM 3066 H2 TIP3 362 6.071 -49.236 40.633 0.00 0.00 WAT1 ATOM 3067 OH2 TIP3 363 6.260 -45.949 45.421 0.00 0.00 WAT1 ATOM 3068 H1 TIP3 363 5.520 -45.351 45.524 0.00 0.00 WAT1 ATOM 3069 H2 TIP3 363 6.974 -45.395 45.105 0.00 0.00 WAT1 ATOM 3070 OH2 TIP3 364 4.668 -43.985 46.208 0.00 0.00 WAT1 ATOM 3071 H1 TIP3 364 4.662 -43.106 45.830 0.00 0.00 WAT1 ATOM 3072 H2 TIP3 364 3.814 -44.068 46.633 0.00 0.00 WAT1 ATOM 3073 OH2 TIP3 365 14.414 -42.692 43.703 0.00 0.00 WAT1 ATOM 3074 H1 TIP3 365 13.472 -42.634 43.864 0.00 0.00 WAT1 ATOM 3075 H2 TIP3 365 14.690 -41.786 43.566 0.00 0.00 WAT1 ATOM 3076 OH2 TIP3 366 9.984 -47.482 37.086 0.00 0.00 WAT1 ATOM 3077 H1 TIP3 366 9.272 -46.947 36.735 0.00 0.00 WAT1 ATOM 3078 H2 TIP3 366 10.675 -47.426 36.426 0.00 0.00 WAT1 ATOM 3079 OH2 TIP3 367 10.038 -49.024 34.125 0.00 0.00 WAT1 ATOM 3080 H1 TIP3 367 10.739 -49.002 34.776 0.00 0.00 WAT1 ATOM 3081 H2 TIP3 367 10.340 -49.652 33.469 0.00 0.00 WAT1 ATOM 3082 OH2 TIP3 368 13.390 -47.272 38.038 0.00 0.00 WAT1 ATOM 3083 H1 TIP3 368 12.658 -47.044 38.611 0.00 0.00 WAT1 ATOM 3084 H2 TIP3 368 13.837 -47.986 38.493 0.00 0.00 WAT1 ATOM 3085 OH2 TIP3 369 5.035 -46.642 39.921 0.00 0.00 WAT1 ATOM 3086 H1 TIP3 369 4.705 -47.012 39.102 0.00 0.00 WAT1 ATOM 3087 H2 TIP3 369 5.623 -47.312 40.267 0.00 0.00 WAT1 ATOM 3088 OH2 TIP3 370 5.402 -47.873 43.554 0.00 0.00 WAT1 ATOM 3089 H1 TIP3 370 5.967 -47.752 42.791 0.00 0.00 WAT1 ATOM 3090 H2 TIP3 370 5.721 -47.236 44.193 0.00 0.00 WAT1 ATOM 3091 OH2 TIP3 371 11.711 -42.370 44.288 0.00 0.00 WAT1 ATOM 3092 H1 TIP3 371 11.470 -41.708 44.936 0.00 0.00 WAT1 ATOM 3093 H2 TIP3 371 11.513 -43.204 44.713 0.00 0.00 WAT1 ATOM 3094 OH2 TIP3 372 12.261 -48.110 35.723 0.00 0.00 WAT1 ATOM 3095 H1 TIP3 372 12.840 -47.960 36.470 0.00 0.00 WAT1 ATOM 3096 H2 TIP3 372 12.675 -47.639 35.000 0.00 0.00 WAT1 ATOM 3097 OH2 TIP3 373 4.025 -47.572 37.510 0.00 0.00 WAT1 ATOM 3098 H1 TIP3 373 3.733 -46.804 37.019 0.00 0.00 WAT1 ATOM 3099 H2 TIP3 373 3.351 -48.232 37.347 0.00 0.00 WAT1 ATOM 3100 OH2 TIP3 374 -0.131 -42.429 43.209 0.00 0.00 WAT1 ATOM 3101 H1 TIP3 374 0.815 -42.573 43.190 0.00 0.00 WAT1 ATOM 3102 H2 TIP3 374 -0.244 -41.645 43.746 0.00 0.00 WAT1 ATOM 3103 OH2 TIP3 375 18.066 -41.763 48.891 0.00 0.00 WAT1 ATOM 3104 H1 TIP3 375 18.017 -42.718 48.854 0.00 0.00 WAT1 ATOM 3105 H2 TIP3 375 17.240 -41.495 49.293 0.00 0.00 WAT1 ATOM 3106 OH2 TIP3 376 9.045 -42.189 47.767 0.00 0.00 WAT1 ATOM 3107 H1 TIP3 376 9.132 -41.363 48.242 0.00 0.00 WAT1 ATOM 3108 H2 TIP3 376 8.181 -42.519 48.016 0.00 0.00 WAT1 ATOM 3109 OH2 TIP3 377 10.610 -49.813 38.188 0.00 0.00 WAT1 ATOM 3110 H1 TIP3 377 10.201 -48.998 37.896 0.00 0.00 WAT1 ATOM 3111 H2 TIP3 377 11.330 -49.953 37.573 0.00 0.00 WAT1 ATOM 3112 OH2 TIP3 378 15.348 -37.895 49.998 0.00 0.00 WAT1 ATOM 3113 H1 TIP3 378 15.548 -37.471 49.163 0.00 0.00 WAT1 ATOM 3114 H2 TIP3 378 16.004 -37.552 50.605 0.00 0.00 WAT1 ATOM 3115 OH2 TIP3 379 12.044 -52.599 34.642 0.00 0.00 WAT1 ATOM 3116 H1 TIP3 379 11.106 -52.487 34.491 0.00 0.00 WAT1 ATOM 3117 H2 TIP3 379 12.341 -51.742 34.948 0.00 0.00 WAT1 ATOM 3118 OH2 TIP3 380 12.762 -50.732 36.303 0.00 0.00 WAT1 ATOM 3119 H1 TIP3 380 13.654 -50.869 36.622 0.00 0.00 WAT1 ATOM 3120 H2 TIP3 380 12.819 -49.941 35.766 0.00 0.00 WAT1 ATOM 3121 OH2 TIP3 381 3.271 -46.118 42.212 0.00 0.00 WAT1 ATOM 3122 H1 TIP3 381 4.016 -46.120 41.611 0.00 0.00 WAT1 ATOM 3123 H2 TIP3 381 3.349 -46.942 42.694 0.00 0.00 WAT1 ATOM 3124 OH2 TIP3 382 11.916 -42.767 47.630 0.00 0.00 WAT1 ATOM 3125 H1 TIP3 382 11.015 -42.584 47.362 0.00 0.00 WAT1 ATOM 3126 H2 TIP3 382 11.950 -42.508 48.551 0.00 0.00 WAT1 ATOM 3127 OH2 TIP3 383 17.647 -50.522 35.997 0.00 0.00 WAT1 ATOM 3128 H1 TIP3 383 17.093 -50.918 35.325 0.00 0.00 WAT1 ATOM 3129 H2 TIP3 383 17.748 -49.612 35.720 0.00 0.00 WAT1 ATOM 3130 OH2 TIP3 384 13.103 -46.928 43.484 0.00 0.00 WAT1 ATOM 3131 H1 TIP3 384 12.175 -47.160 43.457 0.00 0.00 WAT1 ATOM 3132 H2 TIP3 384 13.554 -47.705 43.154 0.00 0.00 WAT1 ATOM 3133 OH2 TIP3 385 1.401 -47.738 34.204 0.00 0.00 WAT1 ATOM 3134 H1 TIP3 385 2.017 -47.111 34.583 0.00 0.00 WAT1 ATOM 3135 H2 TIP3 385 0.539 -47.422 34.475 0.00 0.00 WAT1 ATOM 3136 OH2 TIP3 386 7.588 -40.788 45.508 0.00 0.00 WAT1 ATOM 3137 H1 TIP3 386 7.951 -39.933 45.275 0.00 0.00 WAT1 ATOM 3138 H2 TIP3 386 8.120 -41.080 46.249 0.00 0.00 WAT1 ATOM 3139 OH2 TIP3 387 11.132 -44.689 45.209 0.00 0.00 WAT1 ATOM 3140 H1 TIP3 387 10.706 -44.916 46.035 0.00 0.00 WAT1 ATOM 3141 H2 TIP3 387 11.713 -45.427 45.026 0.00 0.00 WAT1 ATOM 3142 OH2 TIP3 388 13.791 -40.137 47.678 0.00 0.00 WAT1 ATOM 3143 H1 TIP3 388 13.189 -40.692 47.183 0.00 0.00 WAT1 ATOM 3144 H2 TIP3 388 14.072 -39.470 47.052 0.00 0.00 WAT1 ATOM 3145 OH2 TIP3 389 1.564 -41.099 45.520 0.00 0.00 WAT1 ATOM 3146 H1 TIP3 389 1.781 -42.031 45.489 0.00 0.00 WAT1 ATOM 3147 H2 TIP3 389 1.811 -40.825 46.404 0.00 0.00 WAT1 ATOM 3148 OH2 TIP3 390 2.816 -45.825 35.696 0.00 0.00 WAT1 ATOM 3149 H1 TIP3 390 2.130 -45.473 36.263 0.00 0.00 WAT1 ATOM 3150 H2 TIP3 390 3.339 -45.062 35.450 0.00 0.00 WAT1 ATOM 3151 OH2 TIP3 391 11.949 -41.913 50.222 0.00 0.00 WAT1 ATOM 3152 H1 TIP3 391 11.598 -42.769 50.465 0.00 0.00 WAT1 ATOM 3153 H2 TIP3 391 12.675 -41.770 50.829 0.00 0.00 WAT1 ATOM 3154 OH2 TIP3 392 5.023 -45.058 32.959 0.00 0.00 WAT1 ATOM 3155 H1 TIP3 392 5.087 -45.852 33.490 0.00 0.00 WAT1 ATOM 3156 H2 TIP3 392 5.676 -45.177 32.270 0.00 0.00 WAT1 ATOM 3157 OH2 TIP3 393 6.172 -47.086 35.265 0.00 0.00 WAT1 ATOM 3158 H1 TIP3 393 5.713 -47.570 35.951 0.00 0.00 WAT1 ATOM 3159 H2 TIP3 393 6.427 -47.754 34.629 0.00 0.00 WAT1 ATOM 3160 OH2 TIP3 394 7.243 -48.843 33.528 0.00 0.00 WAT1 ATOM 3161 H1 TIP3 394 7.063 -48.997 32.600 0.00 0.00 WAT1 ATOM 3162 H2 TIP3 394 8.194 -48.735 33.572 0.00 0.00 WAT1 ATOM 3163 OH2 TIP3 395 17.340 -39.666 46.796 0.00 0.00 WAT1 ATOM 3164 H1 TIP3 395 16.853 -40.401 46.425 0.00 0.00 WAT1 ATOM 3165 H2 TIP3 395 17.889 -40.059 47.474 0.00 0.00 WAT1 ATOM 3166 OH2 TIP3 396 17.245 -44.781 43.720 0.00 0.00 WAT1 ATOM 3167 H1 TIP3 396 18.079 -45.159 43.439 0.00 0.00 WAT1 ATOM 3168 H2 TIP3 396 17.357 -43.838 43.601 0.00 0.00 WAT1 ATOM 3169 OH2 TIP3 397 15.732 -41.903 46.027 0.00 0.00 WAT1 ATOM 3170 H1 TIP3 397 15.084 -41.578 46.652 0.00 0.00 WAT1 ATOM 3171 H2 TIP3 397 15.214 -42.343 45.352 0.00 0.00 WAT1 ATOM 3172 OH2 TIP3 398 16.103 -50.425 33.714 0.00 0.00 WAT1 ATOM 3173 H1 TIP3 398 16.200 -49.758 33.034 0.00 0.00 WAT1 ATOM 3174 H2 TIP3 398 15.963 -51.241 33.232 0.00 0.00 WAT1 ATOM 3175 OH2 TIP3 399 15.273 -49.045 39.335 0.00 0.00 WAT1 ATOM 3176 H1 TIP3 399 15.123 -49.990 39.315 0.00 0.00 WAT1 ATOM 3177 H2 TIP3 399 14.919 -48.764 40.179 0.00 0.00 WAT1 ATOM 3178 OH2 TIP3 400 15.351 -53.017 32.831 0.00 0.00 WAT1 ATOM 3179 H1 TIP3 400 15.961 -53.389 33.468 0.00 0.00 WAT1 ATOM 3180 H2 TIP3 400 14.514 -53.439 33.027 0.00 0.00 WAT1 ATOM 3181 OH2 TIP3 401 14.983 -51.462 37.797 0.00 0.00 WAT1 ATOM 3182 H1 TIP3 401 15.263 -52.369 37.922 0.00 0.00 WAT1 ATOM 3183 H2 TIP3 401 15.742 -51.028 37.408 0.00 0.00 WAT1 ATOM 3184 OH2 TIP3 402 4.854 -41.239 46.248 0.00 0.00 WAT1 ATOM 3185 H1 TIP3 402 4.429 -40.430 45.965 0.00 0.00 WAT1 ATOM 3186 H2 TIP3 402 5.759 -41.154 45.946 0.00 0.00 WAT1 ATOM 3187 OH2 TIP3 403 9.165 -39.840 49.207 0.00 0.00 WAT1 ATOM 3188 H1 TIP3 403 9.350 -40.174 50.085 0.00 0.00 WAT1 ATOM 3189 H2 TIP3 403 10.012 -39.531 48.885 0.00 0.00 WAT1 ATOM 3190 OH2 TIP3 404 11.510 -38.555 48.451 0.00 0.00 WAT1 ATOM 3191 H1 TIP3 404 12.187 -39.187 48.211 0.00 0.00 WAT1 ATOM 3192 H2 TIP3 404 11.832 -38.153 49.259 0.00 0.00 WAT1 ATOM 3193 OH2 TIP3 405 2.256 -37.983 46.295 0.00 0.00 WAT1 ATOM 3194 H1 TIP3 405 1.536 -37.543 45.844 0.00 0.00 WAT1 ATOM 3195 H2 TIP3 405 1.890 -38.234 47.144 0.00 0.00 WAT1 ATOM 3196 OH2 TIP3 406 4.723 -38.383 45.325 0.00 0.00 WAT1 ATOM 3197 H1 TIP3 406 3.858 -38.311 45.729 0.00 0.00 WAT1 ATOM 3198 H2 TIP3 406 4.668 -37.836 44.541 0.00 0.00 WAT1 ATOM 3199 OH2 TIP3 407 9.434 -38.495 44.501 0.00 0.00 WAT1 ATOM 3200 H1 TIP3 407 8.977 -37.966 43.847 0.00 0.00 WAT1 ATOM 3201 H2 TIP3 407 9.597 -37.892 45.226 0.00 0.00 WAT1 ATOM 3202 OH2 TIP3 408 1.671 -39.360 43.206 0.00 0.00 WAT1 ATOM 3203 H1 TIP3 408 1.652 -39.785 44.063 0.00 0.00 WAT1 ATOM 3204 H2 TIP3 408 2.476 -39.678 42.797 0.00 0.00 WAT1 ATOM 3205 OH2 TIP3 409 15.713 -40.612 49.604 0.00 0.00 WAT1 ATOM 3206 H1 TIP3 409 14.931 -40.798 49.084 0.00 0.00 WAT1 ATOM 3207 H2 TIP3 409 15.641 -39.683 49.821 0.00 0.00 WAT1 ATOM 3208 OH2 TIP3 410 11.263 -27.870 -16.934 0.00 0.00 WAT1 ATOM 3209 H1 TIP3 410 11.352 -26.926 -17.066 0.00 0.00 WAT1 ATOM 3210 H2 TIP3 410 10.624 -28.145 -17.592 0.00 0.00 WAT1 ATOM 3211 OH2 TIP3 411 2.564 -29.000 -11.922 0.00 0.00 WAT1 ATOM 3212 H1 TIP3 411 2.606 -29.626 -11.198 0.00 0.00 WAT1 ATOM 3213 H2 TIP3 411 3.267 -28.377 -11.740 0.00 0.00 WAT1 ATOM 3214 OH2 TIP3 412 13.902 -25.676 -15.213 0.00 0.00 WAT1 ATOM 3215 H1 TIP3 412 13.461 -26.396 -14.763 0.00 0.00 WAT1 ATOM 3216 H2 TIP3 412 13.889 -24.955 -14.583 0.00 0.00 WAT1 ATOM 3217 OH2 TIP3 413 3.488 -24.550 -13.387 0.00 0.00 WAT1 ATOM 3218 H1 TIP3 413 3.118 -25.352 -13.756 0.00 0.00 WAT1 ATOM 3219 H2 TIP3 413 4.429 -24.719 -13.340 0.00 0.00 WAT1 ATOM 3220 OH2 TIP3 414 11.013 -20.571 -15.001 0.00 0.00 WAT1 ATOM 3221 H1 TIP3 414 11.633 -21.248 -15.274 0.00 0.00 WAT1 ATOM 3222 H2 TIP3 414 10.805 -20.789 -14.093 0.00 0.00 WAT1 ATOM 3223 OH2 TIP3 415 11.726 -31.788 -12.781 0.00 0.00 WAT1 ATOM 3224 H1 TIP3 415 11.869 -32.735 -12.761 0.00 0.00 WAT1 ATOM 3225 H2 TIP3 415 11.620 -31.581 -13.710 0.00 0.00 WAT1 ATOM 3226 OH2 TIP3 416 6.657 -29.740 -15.531 0.00 0.00 WAT1 ATOM 3227 H1 TIP3 416 7.273 -30.266 -15.022 0.00 0.00 WAT1 ATOM 3228 H2 TIP3 416 6.071 -30.380 -15.935 0.00 0.00 WAT1 ATOM 3229 OH2 TIP3 417 17.640 -33.103 -10.012 0.00 0.00 WAT1 ATOM 3230 H1 TIP3 417 16.951 -32.445 -10.107 0.00 0.00 WAT1 ATOM 3231 H2 TIP3 417 17.655 -33.300 -9.075 0.00 0.00 WAT1 ATOM 3232 OH2 TIP3 418 11.060 -25.269 -17.891 0.00 0.00 WAT1 ATOM 3233 H1 TIP3 418 10.764 -25.591 -18.742 0.00 0.00 WAT1 ATOM 3234 H2 TIP3 418 10.736 -24.369 -17.849 0.00 0.00 WAT1 ATOM 3235 OH2 TIP3 419 12.666 -22.055 -16.240 0.00 0.00 WAT1 ATOM 3236 H1 TIP3 419 13.091 -22.762 -16.725 0.00 0.00 WAT1 ATOM 3237 H2 TIP3 419 12.983 -21.254 -16.657 0.00 0.00 WAT1 ATOM 3238 OH2 TIP3 420 13.825 -24.154 -17.731 0.00 0.00 WAT1 ATOM 3239 H1 TIP3 420 13.568 -24.844 -18.343 0.00 0.00 WAT1 ATOM 3240 H2 TIP3 420 13.896 -24.597 -16.886 0.00 0.00 WAT1 ATOM 3241 OH2 TIP3 421 9.984 -28.626 -19.482 0.00 0.00 WAT1 ATOM 3242 H1 TIP3 421 9.272 -28.091 -19.833 0.00 0.00 WAT1 ATOM 3243 H2 TIP3 421 10.675 -28.570 -20.142 0.00 0.00 WAT1 ATOM 3244 OH2 TIP3 422 13.390 -28.416 -18.530 0.00 0.00 WAT1 ATOM 3245 H1 TIP3 422 12.658 -28.188 -17.957 0.00 0.00 WAT1 ATOM 3246 H2 TIP3 422 13.837 -29.130 -18.075 0.00 0.00 WAT1 ATOM 3247 OH2 TIP3 423 5.035 -27.786 -16.647 0.00 0.00 WAT1 ATOM 3248 H1 TIP3 423 4.705 -28.156 -17.466 0.00 0.00 WAT1 ATOM 3249 H2 TIP3 423 5.623 -28.456 -16.301 0.00 0.00 WAT1 ATOM 3250 OH2 TIP3 424 3.202 -28.420 -9.068 0.00 0.00 WAT1 ATOM 3251 H1 TIP3 424 3.272 -27.769 -8.370 0.00 0.00 WAT1 ATOM 3252 H2 TIP3 424 2.311 -28.317 -9.403 0.00 0.00 WAT1 ATOM 3253 OH2 TIP3 425 9.987 -22.517 -17.410 0.00 0.00 WAT1 ATOM 3254 H1 TIP3 425 10.461 -22.222 -16.632 0.00 0.00 WAT1 ATOM 3255 H2 TIP3 425 9.424 -21.779 -17.643 0.00 0.00 WAT1 ATOM 3256 OH2 TIP3 426 4.521 -22.546 -7.533 0.00 0.00 WAT1 ATOM 3257 H1 TIP3 426 4.529 -22.682 -8.481 0.00 0.00 WAT1 ATOM 3258 H2 TIP3 426 3.605 -22.664 -7.281 0.00 0.00 WAT1 ATOM 3259 OH2 TIP3 427 0.118 -26.353 -10.243 0.00 0.00 WAT1 ATOM 3260 H1 TIP3 427 -0.383 -26.381 -11.058 0.00 0.00 WAT1 ATOM 3261 H2 TIP3 427 0.124 -27.259 -9.933 0.00 0.00 WAT1 ATOM 3262 OH2 TIP3 428 15.218 -31.414 -7.197 0.00 0.00 WAT1 ATOM 3263 H1 TIP3 428 14.811 -30.933 -7.917 0.00 0.00 WAT1 ATOM 3264 H2 TIP3 428 15.259 -32.319 -7.504 0.00 0.00 WAT1 ATOM 3265 OH2 TIP3 429 2.367 -25.030 -9.200 0.00 0.00 WAT1 ATOM 3266 H1 TIP3 429 2.584 -25.391 -8.340 0.00 0.00 WAT1 ATOM 3267 H2 TIP3 429 1.512 -25.404 -9.410 0.00 0.00 WAT1 ATOM 3268 OH2 TIP3 430 12.975 -33.082 -8.976 0.00 0.00 WAT1 ATOM 3269 H1 TIP3 430 12.461 -33.208 -8.179 0.00 0.00 WAT1 ATOM 3270 H2 TIP3 430 12.820 -32.170 -9.221 0.00 0.00 WAT1 ATOM 3271 OH2 TIP3 431 5.077 -31.594 -12.109 0.00 0.00 WAT1 ATOM 3272 H1 TIP3 431 4.435 -31.635 -11.400 0.00 0.00 WAT1 ATOM 3273 H2 TIP3 431 5.114 -30.668 -12.347 0.00 0.00 WAT1 ATOM 3274 OH2 TIP3 432 5.074 -31.373 -17.197 0.00 0.00 WAT1 ATOM 3275 H1 TIP3 432 4.181 -31.714 -17.256 0.00 0.00 WAT1 ATOM 3276 H2 TIP3 432 5.525 -31.750 -17.953 0.00 0.00 WAT1 ATOM 3277 OH2 TIP3 433 10.610 -30.957 -18.380 0.00 0.00 WAT1 ATOM 3278 H1 TIP3 433 10.201 -30.142 -18.672 0.00 0.00 WAT1 ATOM 3279 H2 TIP3 433 11.330 -31.097 -18.995 0.00 0.00 WAT1 ATOM 3280 OH2 TIP3 434 11.614 -31.511 -15.566 0.00 0.00 WAT1 ATOM 3281 H1 TIP3 434 11.419 -30.906 -16.281 0.00 0.00 WAT1 ATOM 3282 H2 TIP3 434 11.796 -32.345 -16.001 0.00 0.00 WAT1 ATOM 3283 OH2 TIP3 435 2.827 -31.274 -10.242 0.00 0.00 WAT1 ATOM 3284 H1 TIP3 435 2.789 -30.874 -9.374 0.00 0.00 WAT1 ATOM 3285 H2 TIP3 435 2.336 -32.091 -10.152 0.00 0.00 WAT1 ATOM 3286 OH2 TIP3 436 12.061 -34.711 -12.847 0.00 0.00 WAT1 ATOM 3287 H1 TIP3 436 11.384 -34.580 -12.183 0.00 0.00 WAT1 ATOM 3288 H2 TIP3 436 11.575 -34.866 -13.657 0.00 0.00 WAT1 ATOM 3289 OH2 TIP3 437 15.348 -19.039 -6.570 0.00 0.00 WAT1 ATOM 3290 H1 TIP3 437 15.548 -18.615 -7.405 0.00 0.00 WAT1 ATOM 3291 H2 TIP3 437 16.004 -18.696 -5.963 0.00 0.00 WAT1 ATOM 3292 OH2 TIP3 438 2.946 -26.565 -6.962 0.00 0.00 WAT1 ATOM 3293 H1 TIP3 438 3.679 -26.311 -6.401 0.00 0.00 WAT1 ATOM 3294 H2 TIP3 438 2.166 -26.361 -6.447 0.00 0.00 WAT1 ATOM 3295 OH2 TIP3 439 8.976 -31.158 -14.224 0.00 0.00 WAT1 ATOM 3296 H1 TIP3 439 9.540 -31.705 -14.771 0.00 0.00 WAT1 ATOM 3297 H2 TIP3 439 8.828 -31.680 -13.435 0.00 0.00 WAT1 ATOM 3298 OH2 TIP3 440 7.602 -32.770 -11.810 0.00 0.00 WAT1 ATOM 3299 H1 TIP3 440 6.767 -32.316 -11.700 0.00 0.00 WAT1 ATOM 3300 H2 TIP3 440 8.126 -32.494 -11.058 0.00 0.00 WAT1 ATOM 3301 OH2 TIP3 441 8.146 -26.557 -20.125 0.00 0.00 WAT1 ATOM 3302 H1 TIP3 441 7.402 -27.064 -20.448 0.00 0.00 WAT1 ATOM 3303 H2 TIP3 441 8.012 -26.508 -19.179 0.00 0.00 WAT1 ATOM 3304 OH2 TIP3 442 3.271 -27.262 -14.356 0.00 0.00 WAT1 ATOM 3305 H1 TIP3 442 4.016 -27.264 -14.957 0.00 0.00 WAT1 ATOM 3306 H2 TIP3 442 3.349 -28.086 -13.874 0.00 0.00 WAT1 ATOM 3307 OH2 TIP3 443 5.646 -23.744 -16.951 0.00 0.00 WAT1 ATOM 3308 H1 TIP3 443 6.173 -22.971 -17.152 0.00 0.00 WAT1 ATOM 3309 H2 TIP3 443 4.766 -23.519 -17.253 0.00 0.00 WAT1 ATOM 3310 OH2 TIP3 444 7.073 -26.081 -17.375 0.00 0.00 WAT1 ATOM 3311 H1 TIP3 444 6.832 -25.156 -17.333 0.00 0.00 WAT1 ATOM 3312 H2 TIP3 444 6.333 -26.540 -16.979 0.00 0.00 WAT1 ATOM 3313 OH2 TIP3 445 7.588 -21.932 -11.060 0.00 0.00 WAT1 ATOM 3314 H1 TIP3 445 7.951 -21.077 -11.293 0.00 0.00 WAT1 ATOM 3315 H2 TIP3 445 8.120 -22.224 -10.319 0.00 0.00 WAT1 ATOM 3316 OH2 TIP3 446 5.757 -21.059 -17.830 0.00 0.00 WAT1 ATOM 3317 H1 TIP3 446 4.807 -20.954 -17.778 0.00 0.00 WAT1 ATOM 3318 H2 TIP3 446 6.108 -20.239 -17.485 0.00 0.00 WAT1 ATOM 3319 OH2 TIP3 447 13.791 -21.281 -8.890 0.00 0.00 WAT1 ATOM 3320 H1 TIP3 447 13.189 -21.836 -9.385 0.00 0.00 WAT1 ATOM 3321 H2 TIP3 447 14.072 -20.614 -9.516 0.00 0.00 WAT1 ATOM 3322 OH2 TIP3 448 1.564 -22.243 -11.048 0.00 0.00 WAT1 ATOM 3323 H1 TIP3 448 1.781 -23.175 -11.079 0.00 0.00 WAT1 ATOM 3324 H2 TIP3 448 1.811 -21.969 -10.164 0.00 0.00 WAT1 ATOM 3325 OH2 TIP3 449 10.648 -34.307 -10.593 0.00 0.00 WAT1 ATOM 3326 H1 TIP3 449 11.346 -34.233 -9.943 0.00 0.00 WAT1 ATOM 3327 H2 TIP3 449 10.267 -35.171 -10.438 0.00 0.00 WAT1 ATOM 3328 OH2 TIP3 450 9.168 -31.941 -9.476 0.00 0.00 WAT1 ATOM 3329 H1 TIP3 450 9.287 -31.367 -8.719 0.00 0.00 WAT1 ATOM 3330 H2 TIP3 450 9.823 -32.629 -9.361 0.00 0.00 WAT1 ATOM 3331 OH2 TIP3 451 15.372 -34.034 -8.641 0.00 0.00 WAT1 ATOM 3332 H1 TIP3 451 14.456 -33.771 -8.729 0.00 0.00 WAT1 ATOM 3333 H2 TIP3 451 15.708 -34.037 -9.538 0.00 0.00 WAT1 ATOM 3334 OH2 TIP3 452 13.974 -30.283 -14.545 0.00 0.00 WAT1 ATOM 3335 H1 TIP3 452 13.177 -30.698 -14.874 0.00 0.00 WAT1 ATOM 3336 H2 TIP3 452 14.419 -30.974 -14.054 0.00 0.00 WAT1 ATOM 3337 OH2 TIP3 453 15.061 -21.027 -12.923 0.00 0.00 WAT1 ATOM 3338 H1 TIP3 453 14.905 -20.349 -13.580 0.00 0.00 WAT1 ATOM 3339 H2 TIP3 453 15.993 -20.955 -12.720 0.00 0.00 WAT1 ATOM 3340 OH2 TIP3 454 0.775 -20.356 -6.695 0.00 0.00 WAT1 ATOM 3341 H1 TIP3 454 1.315 -20.573 -5.936 0.00 0.00 WAT1 ATOM 3342 H2 TIP3 454 0.294 -21.162 -6.885 0.00 0.00 WAT1 ATOM 3343 OH2 TIP3 455 0.682 -26.546 -5.741 0.00 0.00 WAT1 ATOM 3344 H1 TIP3 455 0.826 -27.448 -6.027 0.00 0.00 WAT1 ATOM 3345 H2 TIP3 455 -0.091 -26.260 -6.229 0.00 0.00 WAT1 ATOM 3346 OH2 TIP3 456 1.514 -29.346 -6.321 0.00 0.00 WAT1 ATOM 3347 H1 TIP3 456 1.922 -30.203 -6.442 0.00 0.00 WAT1 ATOM 3348 H2 TIP3 456 1.254 -29.331 -5.400 0.00 0.00 WAT1 ATOM 3349 OH2 TIP3 457 5.461 -30.337 -8.947 0.00 0.00 WAT1 ATOM 3350 H1 TIP3 457 4.843 -29.662 -8.666 0.00 0.00 WAT1 ATOM 3351 H2 TIP3 457 5.805 -30.016 -9.780 0.00 0.00 WAT1 ATOM 3352 OH2 TIP3 458 5.801 -32.982 -7.864 0.00 0.00 WAT1 ATOM 3353 H1 TIP3 458 5.951 -33.711 -8.467 0.00 0.00 WAT1 ATOM 3354 H2 TIP3 458 5.803 -32.205 -8.423 0.00 0.00 WAT1 ATOM 3355 OH2 TIP3 459 6.213 -34.612 -10.372 0.00 0.00 WAT1 ATOM 3356 H1 TIP3 459 6.749 -34.161 -11.024 0.00 0.00 WAT1 ATOM 3357 H2 TIP3 459 5.361 -34.720 -10.794 0.00 0.00 WAT1 ATOM 3358 OH2 TIP3 460 12.211 -31.358 -5.104 0.00 0.00 WAT1 ATOM 3359 H1 TIP3 460 12.403 -32.289 -5.215 0.00 0.00 WAT1 ATOM 3360 H2 TIP3 460 13.068 -30.933 -5.114 0.00 0.00 WAT1 ATOM 3361 OH2 TIP3 461 4.279 -31.784 -5.953 0.00 0.00 WAT1 ATOM 3362 H1 TIP3 461 3.512 -32.316 -6.163 0.00 0.00 WAT1 ATOM 3363 H2 TIP3 461 4.958 -32.094 -6.552 0.00 0.00 WAT1 ATOM 3364 OH2 TIP3 462 8.283 -32.834 -6.377 0.00 0.00 WAT1 ATOM 3365 H1 TIP3 462 8.047 -33.054 -5.475 0.00 0.00 WAT1 ATOM 3366 H2 TIP3 462 7.500 -33.041 -6.886 0.00 0.00 WAT1 ATOM 3367 OH2 TIP3 463 10.999 -33.707 -7.301 0.00 0.00 WAT1 ATOM 3368 H1 TIP3 463 10.051 -33.675 -7.169 0.00 0.00 WAT1 ATOM 3369 H2 TIP3 463 11.311 -34.332 -6.647 0.00 0.00 WAT1 ATOM 3370 OH2 TIP3 464 12.633 -35.073 -5.296 0.00 0.00 WAT1 ATOM 3371 H1 TIP3 464 12.536 -36.025 -5.302 0.00 0.00 WAT1 ATOM 3372 H2 TIP3 464 12.311 -34.804 -4.435 0.00 0.00 WAT1 ATOM 3373 OH2 TIP3 465 17.777 -20.377 -12.694 0.00 0.00 WAT1 ATOM 3374 H1 TIP3 465 17.755 -20.192 -11.755 0.00 0.00 WAT1 ATOM 3375 H2 TIP3 465 18.467 -19.808 -13.035 0.00 0.00 WAT1 ATOM 3376 OH2 TIP3 466 17.245 -25.925 -12.848 0.00 0.00 WAT1 ATOM 3377 H1 TIP3 466 18.079 -26.303 -13.129 0.00 0.00 WAT1 ATOM 3378 H2 TIP3 466 17.357 -24.982 -12.967 0.00 0.00 WAT1 ATOM 3379 OH2 TIP3 467 0.308 -28.111 -13.223 0.00 0.00 WAT1 ATOM 3380 H1 TIP3 467 0.492 -28.193 -14.158 0.00 0.00 WAT1 ATOM 3381 H2 TIP3 467 1.157 -28.235 -12.799 0.00 0.00 WAT1 ATOM 3382 OH2 TIP3 468 15.595 -32.025 -13.335 0.00 0.00 WAT1 ATOM 3383 H1 TIP3 468 16.528 -31.813 -13.369 0.00 0.00 WAT1 ATOM 3384 H2 TIP3 468 15.360 -31.923 -12.412 0.00 0.00 WAT1 ATOM 3385 OH2 TIP3 469 15.624 -31.288 -10.559 0.00 0.00 WAT1 ATOM 3386 H1 TIP3 469 14.781 -31.020 -10.193 0.00 0.00 WAT1 ATOM 3387 H2 TIP3 469 16.067 -30.466 -10.770 0.00 0.00 WAT1 ATOM 3388 OH2 TIP3 470 17.427 -35.199 -6.856 0.00 0.00 WAT1 ATOM 3389 H1 TIP3 470 16.510 -34.928 -6.892 0.00 0.00 WAT1 ATOM 3390 H2 TIP3 470 17.550 -35.734 -7.640 0.00 0.00 WAT1 ATOM 3391 OH2 TIP3 471 1.900 -23.358 -6.579 0.00 0.00 WAT1 ATOM 3392 H1 TIP3 471 1.079 -23.183 -7.039 0.00 0.00 WAT1 ATOM 3393 H2 TIP3 471 1.648 -23.431 -5.658 0.00 0.00 WAT1 ATOM 3394 OH2 TIP3 472 4.854 -22.383 -10.320 0.00 0.00 WAT1 ATOM 3395 H1 TIP3 472 4.429 -21.574 -10.603 0.00 0.00 WAT1 ATOM 3396 H2 TIP3 472 5.759 -22.298 -10.622 0.00 0.00 WAT1 ATOM 3397 OH2 TIP3 473 11.510 -19.699 -8.117 0.00 0.00 WAT1 ATOM 3398 H1 TIP3 473 12.187 -20.331 -8.357 0.00 0.00 WAT1 ATOM 3399 H2 TIP3 473 11.832 -19.297 -7.309 0.00 0.00 WAT1 ATOM 3400 OH2 TIP3 474 4.723 -19.527 -11.243 0.00 0.00 WAT1 ATOM 3401 H1 TIP3 474 3.858 -19.455 -10.839 0.00 0.00 WAT1 ATOM 3402 H2 TIP3 474 4.668 -18.980 -12.027 0.00 0.00 WAT1 ATOM 3403 OH2 TIP3 475 9.434 -19.639 -12.067 0.00 0.00 WAT1 ATOM 3404 H1 TIP3 475 8.977 -19.110 -12.721 0.00 0.00 WAT1 ATOM 3405 H2 TIP3 475 9.597 -19.036 -11.342 0.00 0.00 WAT1 ATOM 3406 OH2 TIP3 476 11.761 -20.761 -11.122 0.00 0.00 WAT1 ATOM 3407 H1 TIP3 476 10.857 -20.596 -11.388 0.00 0.00 WAT1 ATOM 3408 H2 TIP3 476 12.190 -19.908 -11.188 0.00 0.00 WAT1 ATOM 3409 OH2 TIP3 477 14.366 -19.191 -10.827 0.00 0.00 WAT1 ATOM 3410 H1 TIP3 477 14.184 -18.275 -11.038 0.00 0.00 WAT1 ATOM 3411 H2 TIP3 477 14.542 -19.601 -11.674 0.00 0.00 WAT1 ATOM 3412 OH2 TIP3 478 3.812 -21.794 -14.707 0.00 0.00 WAT1 ATOM 3413 H1 TIP3 478 3.593 -22.710 -14.538 0.00 0.00 WAT1 ATOM 3414 H2 TIP3 478 4.636 -21.654 -14.241 0.00 0.00 WAT1 ATOM 3415 OH2 TIP3 479 6.349 -21.324 -13.859 0.00 0.00 WAT1 ATOM 3416 H1 TIP3 479 6.562 -22.212 -14.146 0.00 0.00 WAT1 ATOM 3417 H2 TIP3 479 6.414 -21.358 -12.904 0.00 0.00 WAT1 ATOM 3418 OH2 TIP3 480 2.564 -29.000 6.934 0.00 0.00 WAT1 ATOM 3419 H1 TIP3 480 2.606 -29.626 7.658 0.00 0.00 WAT1 ATOM 3420 H2 TIP3 480 3.267 -28.377 7.116 0.00 0.00 WAT1 ATOM 3421 OH2 TIP3 481 3.488 -24.550 5.469 0.00 0.00 WAT1 ATOM 3422 H1 TIP3 481 3.118 -25.352 5.100 0.00 0.00 WAT1 ATOM 3423 H2 TIP3 481 4.429 -24.719 5.516 0.00 0.00 WAT1 ATOM 3424 OH2 TIP3 482 0.808 -28.728 2.988 0.00 0.00 WAT1 ATOM 3425 H1 TIP3 482 1.022 -29.498 3.515 0.00 0.00 WAT1 ATOM 3426 H2 TIP3 482 1.546 -28.639 2.385 0.00 0.00 WAT1 ATOM 3427 OH2 TIP3 483 17.248 -34.581 6.608 0.00 0.00 WAT1 ATOM 3428 H1 TIP3 483 17.297 -33.971 7.344 0.00 0.00 WAT1 ATOM 3429 H2 TIP3 483 17.674 -34.120 5.885 0.00 0.00 WAT1 ATOM 3430 OH2 TIP3 484 11.726 -31.788 6.075 0.00 0.00 WAT1 ATOM 3431 H1 TIP3 484 11.869 -32.735 6.095 0.00 0.00 WAT1 ATOM 3432 H2 TIP3 484 11.620 -31.581 5.146 0.00 0.00 WAT1 ATOM 3433 OH2 TIP3 485 12.603 -33.556 1.748 0.00 0.00 WAT1 ATOM 3434 H1 TIP3 485 13.249 -33.885 2.373 0.00 0.00 WAT1 ATOM 3435 H2 TIP3 485 13.113 -33.038 1.125 0.00 0.00 WAT1 ATOM 3436 OH2 TIP3 486 6.657 -29.740 3.325 0.00 0.00 WAT1 ATOM 3437 H1 TIP3 486 7.273 -30.266 3.834 0.00 0.00 WAT1 ATOM 3438 H2 TIP3 486 6.071 -30.380 2.921 0.00 0.00 WAT1 ATOM 3439 OH2 TIP3 487 17.640 -33.103 8.844 0.00 0.00 WAT1 ATOM 3440 H1 TIP3 487 16.951 -32.445 8.749 0.00 0.00 WAT1 ATOM 3441 H2 TIP3 487 17.655 -33.300 9.781 0.00 0.00 WAT1 ATOM 3442 OH2 TIP3 488 3.691 -34.769 7.421 0.00 0.00 WAT1 ATOM 3443 H1 TIP3 488 3.472 -34.239 6.655 0.00 0.00 WAT1 ATOM 3444 H2 TIP3 488 3.023 -34.542 8.069 0.00 0.00 WAT1 ATOM 3445 OH2 TIP3 489 6.260 -27.093 7.709 0.00 0.00 WAT1 ATOM 3446 H1 TIP3 489 5.520 -26.495 7.812 0.00 0.00 WAT1 ATOM 3447 H2 TIP3 489 6.974 -26.539 7.393 0.00 0.00 WAT1 ATOM 3448 OH2 TIP3 490 3.285 -32.877 5.374 0.00 0.00 WAT1 ATOM 3449 H1 TIP3 490 3.898 -32.244 5.747 0.00 0.00 WAT1 ATOM 3450 H2 TIP3 490 3.797 -33.349 4.717 0.00 0.00 WAT1 ATOM 3451 OH2 TIP3 491 4.668 -25.129 8.496 0.00 0.00 WAT1 ATOM 3452 H1 TIP3 491 4.662 -24.250 8.118 0.00 0.00 WAT1 ATOM 3453 H2 TIP3 491 3.814 -25.212 8.921 0.00 0.00 WAT1 ATOM 3454 OH2 TIP3 492 0.789 -25.458 -0.722 0.00 0.00 WAT1 ATOM 3455 H1 TIP3 492 0.517 -25.229 -1.611 0.00 0.00 WAT1 ATOM 3456 H2 TIP3 492 0.834 -24.620 -0.262 0.00 0.00 WAT1 ATOM 3457 OH2 TIP3 493 14.714 -35.550 7.408 0.00 0.00 WAT1 ATOM 3458 H1 TIP3 493 13.978 -34.939 7.370 0.00 0.00 WAT1 ATOM 3459 H2 TIP3 493 15.398 -35.135 6.882 0.00 0.00 WAT1 ATOM 3460 OH2 TIP3 494 10.038 -30.168 -3.587 0.00 0.00 WAT1 ATOM 3461 H1 TIP3 494 10.739 -30.146 -2.936 0.00 0.00 WAT1 ATOM 3462 H2 TIP3 494 10.340 -30.796 -4.243 0.00 0.00 WAT1 ATOM 3463 OH2 TIP3 495 17.353 -29.248 7.668 0.00 0.00 WAT1 ATOM 3464 H1 TIP3 495 16.701 -28.553 7.757 0.00 0.00 WAT1 ATOM 3465 H2 TIP3 495 17.818 -29.038 6.858 0.00 0.00 WAT1 ATOM 3466 OH2 TIP3 496 5.035 -27.786 2.209 0.00 0.00 WAT1 ATOM 3467 H1 TIP3 496 4.705 -28.156 1.390 0.00 0.00 WAT1 ATOM 3468 H2 TIP3 496 5.623 -28.456 2.555 0.00 0.00 WAT1 ATOM 3469 OH2 TIP3 497 5.402 -29.017 5.842 0.00 0.00 WAT1 ATOM 3470 H1 TIP3 497 5.967 -28.896 5.079 0.00 0.00 WAT1 ATOM 3471 H2 TIP3 497 5.721 -28.380 6.481 0.00 0.00 WAT1 ATOM 3472 OH2 TIP3 498 6.282 -24.618 10.559 0.00 0.00 WAT1 ATOM 3473 H1 TIP3 498 5.970 -23.836 11.015 0.00 0.00 WAT1 ATOM 3474 H2 TIP3 498 5.632 -24.771 9.873 0.00 0.00 WAT1 ATOM 3475 OH2 TIP3 499 12.261 -29.254 -1.989 0.00 0.00 WAT1 ATOM 3476 H1 TIP3 499 12.840 -29.104 -1.242 0.00 0.00 WAT1 ATOM 3477 H2 TIP3 499 12.675 -28.783 -2.712 0.00 0.00 WAT1 ATOM 3478 OH2 TIP3 500 3.202 -28.420 9.788 0.00 0.00 WAT1 ATOM 3479 H1 TIP3 500 3.272 -27.769 10.486 0.00 0.00 WAT1 ATOM 3480 H2 TIP3 500 2.311 -28.317 9.453 0.00 0.00 WAT1 ATOM 3481 OH2 TIP3 501 4.025 -28.716 -0.202 0.00 0.00 WAT1 ATOM 3482 H1 TIP3 501 3.733 -27.948 -0.693 0.00 0.00 WAT1 ATOM 3483 H2 TIP3 501 3.351 -29.376 -0.365 0.00 0.00 WAT1 ATOM 3484 OH2 TIP3 502 0.118 -26.353 8.613 0.00 0.00 WAT1 ATOM 3485 H1 TIP3 502 -0.383 -26.381 7.798 0.00 0.00 WAT1 ATOM 3486 H2 TIP3 502 0.124 -27.259 8.923 0.00 0.00 WAT1 ATOM 3487 OH2 TIP3 503 18.066 -22.907 11.179 0.00 0.00 WAT1 ATOM 3488 H1 TIP3 503 18.017 -23.862 11.142 0.00 0.00 WAT1 ATOM 3489 H2 TIP3 503 17.240 -22.639 11.581 0.00 0.00 WAT1 ATOM 3490 OH2 TIP3 504 3.113 -20.772 1.642 0.00 0.00 WAT1 ATOM 3491 H1 TIP3 504 3.265 -21.120 2.521 0.00 0.00 WAT1 ATOM 3492 H2 TIP3 504 2.262 -21.128 1.387 0.00 0.00 WAT1 ATOM 3493 OH2 TIP3 505 2.367 -25.030 9.656 0.00 0.00 WAT1 ATOM 3494 H1 TIP3 505 2.584 -25.391 10.516 0.00 0.00 WAT1 ATOM 3495 H2 TIP3 505 1.512 -25.404 9.446 0.00 0.00 WAT1 ATOM 3496 OH2 TIP3 506 4.986 -36.560 5.652 0.00 0.00 WAT1 ATOM 3497 H1 TIP3 506 4.125 -36.647 5.244 0.00 0.00 WAT1 ATOM 3498 H2 TIP3 506 4.964 -35.704 6.079 0.00 0.00 WAT1 ATOM 3499 OH2 TIP3 507 9.649 -36.838 9.026 0.00 0.00 WAT1 ATOM 3500 H1 TIP3 507 10.069 -37.253 9.779 0.00 0.00 WAT1 ATOM 3501 H2 TIP3 507 8.716 -37.016 9.143 0.00 0.00 WAT1 ATOM 3502 OH2 TIP3 508 9.311 -34.345 -3.689 0.00 0.00 WAT1 ATOM 3503 H1 TIP3 508 9.057 -34.326 -2.766 0.00 0.00 WAT1 ATOM 3504 H2 TIP3 508 9.054 -35.217 -3.990 0.00 0.00 WAT1 ATOM 3505 OH2 TIP3 509 5.077 -31.594 6.747 0.00 0.00 WAT1 ATOM 3506 H1 TIP3 509 4.435 -31.635 7.456 0.00 0.00 WAT1 ATOM 3507 H2 TIP3 509 5.114 -30.668 6.509 0.00 0.00 WAT1 ATOM 3508 OH2 TIP3 510 5.074 -31.373 1.659 0.00 0.00 WAT1 ATOM 3509 H1 TIP3 510 4.181 -31.714 1.600 0.00 0.00 WAT1 ATOM 3510 H2 TIP3 510 5.525 -31.750 0.903 0.00 0.00 WAT1 ATOM 3511 OH2 TIP3 511 11.614 -31.511 3.290 0.00 0.00 WAT1 ATOM 3512 H1 TIP3 511 11.419 -30.906 2.575 0.00 0.00 WAT1 ATOM 3513 H2 TIP3 511 11.796 -32.345 2.855 0.00 0.00 WAT1 ATOM 3514 OH2 TIP3 512 2.827 -31.274 8.614 0.00 0.00 WAT1 ATOM 3515 H1 TIP3 512 2.789 -30.874 9.482 0.00 0.00 WAT1 ATOM 3516 H2 TIP3 512 2.336 -32.091 8.704 0.00 0.00 WAT1 ATOM 3517 OH2 TIP3 513 6.193 -33.900 -4.588 0.00 0.00 WAT1 ATOM 3518 H1 TIP3 513 5.762 -34.345 -3.858 0.00 0.00 WAT1 ATOM 3519 H2 TIP3 513 5.475 -33.528 -5.100 0.00 0.00 WAT1 ATOM 3520 OH2 TIP3 514 10.878 -29.873 7.961 0.00 0.00 WAT1 ATOM 3521 H1 TIP3 514 11.202 -30.504 7.318 0.00 0.00 WAT1 ATOM 3522 H2 TIP3 514 10.438 -30.408 8.622 0.00 0.00 WAT1 ATOM 3523 OH2 TIP3 515 7.656 -33.946 2.745 0.00 0.00 WAT1 ATOM 3524 H1 TIP3 515 6.745 -33.889 3.034 0.00 0.00 WAT1 ATOM 3525 H2 TIP3 515 8.161 -34.006 3.556 0.00 0.00 WAT1 ATOM 3526 OH2 TIP3 516 6.137 -32.317 -0.772 0.00 0.00 WAT1 ATOM 3527 H1 TIP3 516 7.069 -32.188 -0.594 0.00 0.00 WAT1 ATOM 3528 H2 TIP3 516 5.922 -31.647 -1.421 0.00 0.00 WAT1 ATOM 3529 OH2 TIP3 517 12.061 -34.711 6.009 0.00 0.00 WAT1 ATOM 3530 H1 TIP3 517 11.384 -34.580 6.673 0.00 0.00 WAT1 ATOM 3531 H2 TIP3 517 11.575 -34.866 5.199 0.00 0.00 WAT1 ATOM 3532 OH2 TIP3 518 4.811 -31.122 -3.205 0.00 0.00 WAT1 ATOM 3533 H1 TIP3 518 4.269 -31.502 -3.896 0.00 0.00 WAT1 ATOM 3534 H2 TIP3 518 5.645 -30.928 -3.634 0.00 0.00 WAT1 ATOM 3535 OH2 TIP3 519 2.946 -26.565 11.894 0.00 0.00 WAT1 ATOM 3536 H1 TIP3 519 3.679 -26.311 12.455 0.00 0.00 WAT1 ATOM 3537 H2 TIP3 519 2.166 -26.361 12.409 0.00 0.00 WAT1 ATOM 3538 OH2 TIP3 520 8.976 -31.158 4.632 0.00 0.00 WAT1 ATOM 3539 H1 TIP3 520 9.540 -31.705 4.085 0.00 0.00 WAT1 ATOM 3540 H2 TIP3 520 8.828 -31.680 5.421 0.00 0.00 WAT1 ATOM 3541 OH2 TIP3 521 7.602 -32.770 7.046 0.00 0.00 WAT1 ATOM 3542 H1 TIP3 521 6.767 -32.316 7.156 0.00 0.00 WAT1 ATOM 3543 H2 TIP3 521 8.126 -32.494 7.798 0.00 0.00 WAT1 ATOM 3544 OH2 TIP3 522 12.044 -33.743 -3.070 0.00 0.00 WAT1 ATOM 3545 H1 TIP3 522 11.106 -33.631 -3.221 0.00 0.00 WAT1 ATOM 3546 H2 TIP3 522 12.341 -32.886 -2.764 0.00 0.00 WAT1 ATOM 3547 OH2 TIP3 523 9.666 -26.373 9.968 0.00 0.00 WAT1 ATOM 3548 H1 TIP3 523 9.320 -26.754 10.774 0.00 0.00 WAT1 ATOM 3549 H2 TIP3 523 9.466 -25.439 10.039 0.00 0.00 WAT1 ATOM 3550 OH2 TIP3 524 12.762 -31.876 -1.409 0.00 0.00 WAT1 ATOM 3551 H1 TIP3 524 13.654 -32.013 -1.090 0.00 0.00 WAT1 ATOM 3552 H2 TIP3 524 12.819 -31.085 -1.946 0.00 0.00 WAT1 ATOM 3553 OH2 TIP3 525 3.271 -27.262 4.500 0.00 0.00 WAT1 ATOM 3554 H1 TIP3 525 4.016 -27.264 3.899 0.00 0.00 WAT1 ATOM 3555 H2 TIP3 525 3.349 -28.086 4.982 0.00 0.00 WAT1 ATOM 3556 OH2 TIP3 526 0.279 -28.801 9.815 0.00 0.00 WAT1 ATOM 3557 H1 TIP3 526 0.502 -29.219 10.647 0.00 0.00 WAT1 ATOM 3558 H2 TIP3 526 -0.323 -29.414 9.393 0.00 0.00 WAT1 ATOM 3559 OH2 TIP3 527 17.647 -31.666 -1.715 0.00 0.00 WAT1 ATOM 3560 H1 TIP3 527 17.093 -32.062 -2.387 0.00 0.00 WAT1 ATOM 3561 H2 TIP3 527 17.748 -30.756 -1.992 0.00 0.00 WAT1 ATOM 3562 OH2 TIP3 528 17.611 -25.866 11.122 0.00 0.00 WAT1 ATOM 3563 H1 TIP3 528 16.759 -25.628 10.755 0.00 0.00 WAT1 ATOM 3564 H2 TIP3 528 18.201 -25.883 10.369 0.00 0.00 WAT1 ATOM 3565 OH2 TIP3 529 1.401 -28.882 -3.508 0.00 0.00 WAT1 ATOM 3566 H1 TIP3 529 2.017 -28.255 -3.129 0.00 0.00 WAT1 ATOM 3567 H2 TIP3 529 0.539 -28.566 -3.237 0.00 0.00 WAT1 ATOM 3568 OH2 TIP3 530 17.839 -20.424 -3.228 0.00 0.00 WAT1 ATOM 3569 H1 TIP3 530 18.582 -19.838 -3.368 0.00 0.00 WAT1 ATOM 3570 H2 TIP3 530 17.144 -19.856 -2.895 0.00 0.00 WAT1 ATOM 3571 OH2 TIP3 531 1.564 -22.243 7.808 0.00 0.00 WAT1 ATOM 3572 H1 TIP3 531 1.781 -23.175 7.777 0.00 0.00 WAT1 ATOM 3573 H2 TIP3 531 1.811 -21.969 8.692 0.00 0.00 WAT1 ATOM 3574 OH2 TIP3 532 10.648 -34.307 8.263 0.00 0.00 WAT1 ATOM 3575 H1 TIP3 532 11.346 -34.233 8.913 0.00 0.00 WAT1 ATOM 3576 H2 TIP3 532 10.267 -35.171 8.418 0.00 0.00 WAT1 ATOM 3577 OH2 TIP3 533 11.432 -34.655 -0.640 0.00 0.00 WAT1 ATOM 3578 H1 TIP3 533 11.652 -34.183 -1.443 0.00 0.00 WAT1 ATOM 3579 H2 TIP3 533 11.990 -34.260 0.031 0.00 0.00 WAT1 ATOM 3580 OH2 TIP3 534 8.632 -32.927 0.195 0.00 0.00 WAT1 ATOM 3581 H1 TIP3 534 9.444 -32.423 0.241 0.00 0.00 WAT1 ATOM 3582 H2 TIP3 534 8.387 -33.072 1.109 0.00 0.00 WAT1 ATOM 3583 OH2 TIP3 535 9.168 -31.941 9.380 0.00 0.00 WAT1 ATOM 3584 H1 TIP3 535 9.287 -31.367 10.137 0.00 0.00 WAT1 ATOM 3585 H2 TIP3 535 9.823 -32.629 9.495 0.00 0.00 WAT1 ATOM 3586 OH2 TIP3 536 13.974 -30.283 4.311 0.00 0.00 WAT1 ATOM 3587 H1 TIP3 536 13.177 -30.698 3.982 0.00 0.00 WAT1 ATOM 3588 H2 TIP3 536 14.419 -30.974 4.802 0.00 0.00 WAT1 ATOM 3589 OH2 TIP3 537 1.748 -31.691 -4.003 0.00 0.00 WAT1 ATOM 3590 H1 TIP3 537 1.703 -30.752 -3.824 0.00 0.00 WAT1 ATOM 3591 H2 TIP3 537 0.860 -31.927 -4.273 0.00 0.00 WAT1 ATOM 3592 OH2 TIP3 538 1.486 -22.969 0.831 0.00 0.00 WAT1 ATOM 3593 H1 TIP3 538 0.654 -22.496 0.858 0.00 0.00 WAT1 ATOM 3594 H2 TIP3 538 2.032 -22.459 0.232 0.00 0.00 WAT1 ATOM 3595 OH2 TIP3 539 0.682 -26.546 13.115 0.00 0.00 WAT1 ATOM 3596 H1 TIP3 539 0.826 -27.448 12.829 0.00 0.00 WAT1 ATOM 3597 H2 TIP3 539 -0.091 -26.260 12.627 0.00 0.00 WAT1 ATOM 3598 OH2 TIP3 540 5.461 -30.337 9.909 0.00 0.00 WAT1 ATOM 3599 H1 TIP3 540 4.843 -29.662 10.190 0.00 0.00 WAT1 ATOM 3600 H2 TIP3 540 5.805 -30.016 9.076 0.00 0.00 WAT1 ATOM 3601 OH2 TIP3 541 7.243 -29.987 -4.184 0.00 0.00 WAT1 ATOM 3602 H1 TIP3 541 7.063 -30.141 -5.112 0.00 0.00 WAT1 ATOM 3603 H2 TIP3 541 8.194 -29.879 -4.140 0.00 0.00 WAT1 ATOM 3604 OH2 TIP3 542 6.213 -34.612 8.484 0.00 0.00 WAT1 ATOM 3605 H1 TIP3 542 6.749 -34.161 7.832 0.00 0.00 WAT1 ATOM 3606 H2 TIP3 542 5.361 -34.720 8.062 0.00 0.00 WAT1 ATOM 3607 OH2 TIP3 543 7.795 -29.173 8.724 0.00 0.00 WAT1 ATOM 3608 H1 TIP3 543 8.546 -29.329 8.151 0.00 0.00 WAT1 ATOM 3609 H2 TIP3 543 7.456 -28.321 8.448 0.00 0.00 WAT1 ATOM 3610 OH2 TIP3 544 7.019 -37.156 8.916 0.00 0.00 WAT1 ATOM 3611 H1 TIP3 544 6.921 -36.209 8.810 0.00 0.00 WAT1 ATOM 3612 H2 TIP3 544 6.276 -37.528 8.440 0.00 0.00 WAT1 ATOM 3613 OH2 TIP3 545 8.283 -32.834 12.479 0.00 0.00 WAT1 ATOM 3614 H1 TIP3 545 8.047 -33.054 13.381 0.00 0.00 WAT1 ATOM 3615 H2 TIP3 545 7.500 -33.041 11.970 0.00 0.00 WAT1 ATOM 3616 OH2 TIP3 546 7.241 -37.862 11.587 0.00 0.00 WAT1 ATOM 3617 H1 TIP3 546 7.953 -38.502 11.573 0.00 0.00 WAT1 ATOM 3618 H2 TIP3 546 7.140 -37.595 10.673 0.00 0.00 WAT1 ATOM 3619 OH2 TIP3 547 0.709 -24.660 -3.700 0.00 0.00 WAT1 ATOM 3620 H1 TIP3 547 1.623 -24.581 -3.427 0.00 0.00 WAT1 ATOM 3621 H2 TIP3 547 0.716 -25.347 -4.367 0.00 0.00 WAT1 ATOM 3622 OH2 TIP3 548 0.228 -21.186 3.182 0.00 0.00 WAT1 ATOM 3623 H1 TIP3 548 -0.106 -22.067 3.354 0.00 0.00 WAT1 ATOM 3624 H2 TIP3 548 0.450 -20.841 4.046 0.00 0.00 WAT1 ATOM 3625 OH2 TIP3 549 17.777 -20.377 6.162 0.00 0.00 WAT1 ATOM 3626 H1 TIP3 549 17.755 -20.192 7.101 0.00 0.00 WAT1 ATOM 3627 H2 TIP3 549 18.467 -19.808 5.821 0.00 0.00 WAT1 ATOM 3628 OH2 TIP3 550 17.340 -20.810 9.084 0.00 0.00 WAT1 ATOM 3629 H1 TIP3 550 16.853 -21.545 8.713 0.00 0.00 WAT1 ATOM 3630 H2 TIP3 550 17.889 -21.203 9.762 0.00 0.00 WAT1 ATOM 3631 OH2 TIP3 551 17.092 -26.763 -0.764 0.00 0.00 WAT1 ATOM 3632 H1 TIP3 551 17.942 -26.342 -0.636 0.00 0.00 WAT1 ATOM 3633 H2 TIP3 551 17.097 -27.503 -0.156 0.00 0.00 WAT1 ATOM 3634 OH2 TIP3 552 17.486 -28.710 1.060 0.00 0.00 WAT1 ATOM 3635 H1 TIP3 552 16.760 -29.189 1.458 0.00 0.00 WAT1 ATOM 3636 H2 TIP3 552 18.067 -28.504 1.792 0.00 0.00 WAT1 ATOM 3637 OH2 TIP3 553 17.754 -28.809 -2.549 0.00 0.00 WAT1 ATOM 3638 H1 TIP3 553 17.233 -28.452 -3.268 0.00 0.00 WAT1 ATOM 3639 H2 TIP3 553 17.721 -28.134 -1.871 0.00 0.00 WAT1 ATOM 3640 OH2 TIP3 554 16.103 -31.569 -3.998 0.00 0.00 WAT1 ATOM 3641 H1 TIP3 554 16.200 -30.902 -4.678 0.00 0.00 WAT1 ATOM 3642 H2 TIP3 554 15.963 -32.385 -4.480 0.00 0.00 WAT1 ATOM 3643 OH2 TIP3 555 15.273 -30.189 1.623 0.00 0.00 WAT1 ATOM 3644 H1 TIP3 555 15.123 -31.134 1.603 0.00 0.00 WAT1 ATOM 3645 H2 TIP3 555 14.919 -29.908 2.467 0.00 0.00 WAT1 ATOM 3646 OH2 TIP3 556 15.351 -34.161 -4.881 0.00 0.00 WAT1 ATOM 3647 H1 TIP3 556 15.961 -34.533 -4.244 0.00 0.00 WAT1 ATOM 3648 H2 TIP3 556 14.514 -34.583 -4.685 0.00 0.00 WAT1 ATOM 3649 OH2 TIP3 557 14.983 -32.606 0.085 0.00 0.00 WAT1 ATOM 3650 H1 TIP3 557 15.263 -33.513 0.210 0.00 0.00 WAT1 ATOM 3651 H2 TIP3 557 15.742 -32.172 -0.304 0.00 0.00 WAT1 ATOM 3652 OH2 TIP3 558 15.595 -32.025 5.521 0.00 0.00 WAT1 ATOM 3653 H1 TIP3 558 16.528 -31.813 5.487 0.00 0.00 WAT1 ATOM 3654 H2 TIP3 558 15.360 -31.923 6.444 0.00 0.00 WAT1 ATOM 3655 OH2 TIP3 559 15.624 -31.288 8.297 0.00 0.00 WAT1 ATOM 3656 H1 TIP3 559 14.781 -31.020 8.663 0.00 0.00 WAT1 ATOM 3657 H2 TIP3 559 16.067 -30.466 8.086 0.00 0.00 WAT1 ATOM 3658 OH2 TIP3 560 1.127 -34.528 4.665 0.00 0.00 WAT1 ATOM 3659 H1 TIP3 560 1.572 -35.320 4.967 0.00 0.00 WAT1 ATOM 3660 H2 TIP3 560 1.593 -33.812 5.096 0.00 0.00 WAT1 ATOM 3661 OH2 TIP3 561 -0.569 -31.529 5.734 0.00 0.00 WAT1 ATOM 3662 H1 TIP3 561 -0.077 -31.750 4.944 0.00 0.00 WAT1 ATOM 3663 H2 TIP3 561 -0.207 -30.688 6.015 0.00 0.00 WAT1 ATOM 3664 OH2 TIP3 562 -0.292 -36.533 8.133 0.00 0.00 WAT1 ATOM 3665 H1 TIP3 562 -0.957 -36.779 8.776 0.00 0.00 WAT1 ATOM 3666 H2 TIP3 562 -0.735 -35.911 7.556 0.00 0.00 WAT1 ATOM 3667 OH2 TIP3 563 4.854 -22.383 8.536 0.00 0.00 WAT1 ATOM 3668 H1 TIP3 563 4.429 -21.574 8.253 0.00 0.00 WAT1 ATOM 3669 H2 TIP3 563 5.759 -22.298 8.234 0.00 0.00 WAT1 ATOM 3670 OH2 TIP3 564 2.256 -19.127 8.583 0.00 0.00 WAT1 ATOM 3671 H1 TIP3 564 1.536 -18.687 8.132 0.00 0.00 WAT1 ATOM 3672 H2 TIP3 564 1.890 -19.378 9.432 0.00 0.00 WAT1 ATOM 3673 OH2 TIP3 565 4.723 -19.527 7.613 0.00 0.00 WAT1 ATOM 3674 H1 TIP3 565 3.858 -19.455 8.017 0.00 0.00 WAT1 ATOM 3675 H2 TIP3 565 4.668 -18.980 6.829 0.00 0.00 WAT1 ATOM 3676 OH2 TIP3 566 1.671 -20.504 5.494 0.00 0.00 WAT1 ATOM 3677 H1 TIP3 566 1.652 -20.929 6.351 0.00 0.00 WAT1 ATOM 3678 H2 TIP3 566 2.476 -20.822 5.085 0.00 0.00 WAT1 ATOM 3679 OH2 TIP3 567 3.812 -21.794 4.149 0.00 0.00 WAT1 ATOM 3680 H1 TIP3 567 3.593 -22.710 4.318 0.00 0.00 WAT1 ATOM 3681 H2 TIP3 567 4.636 -21.654 4.615 0.00 0.00 WAT1 ATOM 3682 OH2 TIP3 568 0.922 -21.280 -1.335 0.00 0.00 WAT1 ATOM 3683 H1 TIP3 568 0.237 -21.318 -2.003 0.00 0.00 WAT1 ATOM 3684 H2 TIP3 568 0.925 -20.367 -1.047 0.00 0.00 WAT1 ATOM 3685 OH2 TIP3 569 16.495 -20.507 -0.258 0.00 0.00 WAT1 ATOM 3686 H1 TIP3 569 16.301 -21.255 -0.823 0.00 0.00 WAT1 ATOM 3687 H2 TIP3 569 16.456 -19.749 -0.842 0.00 0.00 WAT1 ATOM 3688 OH2 TIP3 570 2.740 -20.360 -4.310 0.00 0.00 WAT1 ATOM 3689 H1 TIP3 570 2.472 -20.073 -3.437 0.00 0.00 WAT1 ATOM 3690 H2 TIP3 570 3.511 -20.906 -4.158 0.00 0.00 WAT1 ATOM 3691 OH2 TIP3 571 2.564 -29.000 44.646 0.00 0.00 WAT1 ATOM 3692 H1 TIP3 571 2.606 -29.626 45.370 0.00 0.00 WAT1 ATOM 3693 H2 TIP3 571 3.267 -28.377 44.828 0.00 0.00 WAT1 ATOM 3694 OH2 TIP3 572 13.902 -25.676 41.355 0.00 0.00 WAT1 ATOM 3695 H1 TIP3 572 13.461 -26.396 41.805 0.00 0.00 WAT1 ATOM 3696 H2 TIP3 572 13.889 -24.955 41.985 0.00 0.00 WAT1 ATOM 3697 OH2 TIP3 573 3.488 -24.550 43.181 0.00 0.00 WAT1 ATOM 3698 H1 TIP3 573 3.118 -25.352 42.812 0.00 0.00 WAT1 ATOM 3699 H2 TIP3 573 4.429 -24.719 43.228 0.00 0.00 WAT1 ATOM 3700 OH2 TIP3 574 0.808 -28.728 40.700 0.00 0.00 WAT1 ATOM 3701 H1 TIP3 574 1.022 -29.498 41.227 0.00 0.00 WAT1 ATOM 3702 H2 TIP3 574 1.546 -28.639 40.097 0.00 0.00 WAT1 ATOM 3703 OH2 TIP3 575 11.013 -20.571 41.567 0.00 0.00 WAT1 ATOM 3704 H1 TIP3 575 11.633 -21.248 41.294 0.00 0.00 WAT1 ATOM 3705 H2 TIP3 575 10.805 -20.789 42.475 0.00 0.00 WAT1 ATOM 3706 OH2 TIP3 576 8.585 -26.182 43.459 0.00 0.00 WAT1 ATOM 3707 H1 TIP3 576 8.889 -26.868 42.865 0.00 0.00 WAT1 ATOM 3708 H2 TIP3 576 9.307 -26.064 44.077 0.00 0.00 WAT1 ATOM 3709 OH2 TIP3 577 11.726 -31.788 43.787 0.00 0.00 WAT1 ATOM 3710 H1 TIP3 577 11.869 -32.735 43.807 0.00 0.00 WAT1 ATOM 3711 H2 TIP3 577 11.620 -31.581 42.858 0.00 0.00 WAT1 ATOM 3712 OH2 TIP3 578 4.881 -33.687 41.059 0.00 0.00 WAT1 ATOM 3713 H1 TIP3 578 4.924 -32.827 40.641 0.00 0.00 WAT1 ATOM 3714 H2 TIP3 578 4.423 -34.239 40.426 0.00 0.00 WAT1 ATOM 3715 OH2 TIP3 579 1.501 -31.290 41.821 0.00 0.00 WAT1 ATOM 3716 H1 TIP3 579 2.155 -31.840 42.253 0.00 0.00 WAT1 ATOM 3717 H2 TIP3 579 1.525 -31.564 40.905 0.00 0.00 WAT1 ATOM 3718 OH2 TIP3 580 17.640 -33.103 46.556 0.00 0.00 WAT1 ATOM 3719 H1 TIP3 580 16.951 -32.445 46.461 0.00 0.00 WAT1 ATOM 3720 H2 TIP3 580 17.655 -33.300 47.493 0.00 0.00 WAT1 ATOM 3721 OH2 TIP3 581 3.691 -34.769 45.133 0.00 0.00 WAT1 ATOM 3722 H1 TIP3 581 3.472 -34.239 44.367 0.00 0.00 WAT1 ATOM 3723 H2 TIP3 581 3.023 -34.542 45.781 0.00 0.00 WAT1 ATOM 3724 OH2 TIP3 582 6.260 -27.093 45.421 0.00 0.00 WAT1 ATOM 3725 H1 TIP3 582 5.520 -26.495 45.524 0.00 0.00 WAT1 ATOM 3726 H2 TIP3 582 6.974 -26.539 45.105 0.00 0.00 WAT1 ATOM 3727 OH2 TIP3 583 3.285 -32.877 43.086 0.00 0.00 WAT1 ATOM 3728 H1 TIP3 583 3.898 -32.244 43.459 0.00 0.00 WAT1 ATOM 3729 H2 TIP3 583 3.797 -33.349 42.429 0.00 0.00 WAT1 ATOM 3730 OH2 TIP3 584 0.789 -25.458 36.990 0.00 0.00 WAT1 ATOM 3731 H1 TIP3 584 0.517 -25.229 36.101 0.00 0.00 WAT1 ATOM 3732 H2 TIP3 584 0.834 -24.620 37.450 0.00 0.00 WAT1 ATOM 3733 OH2 TIP3 585 14.414 -23.836 43.703 0.00 0.00 WAT1 ATOM 3734 H1 TIP3 585 13.472 -23.778 43.864 0.00 0.00 WAT1 ATOM 3735 H2 TIP3 585 14.690 -22.930 43.566 0.00 0.00 WAT1 ATOM 3736 OH2 TIP3 586 12.666 -22.055 40.328 0.00 0.00 WAT1 ATOM 3737 H1 TIP3 586 13.091 -22.762 39.843 0.00 0.00 WAT1 ATOM 3738 H2 TIP3 586 12.983 -21.254 39.911 0.00 0.00 WAT1 ATOM 3739 OH2 TIP3 587 13.825 -24.154 38.837 0.00 0.00 WAT1 ATOM 3740 H1 TIP3 587 13.568 -24.844 38.225 0.00 0.00 WAT1 ATOM 3741 H2 TIP3 587 13.896 -24.597 39.682 0.00 0.00 WAT1 ATOM 3742 OH2 TIP3 588 17.353 -29.248 45.380 0.00 0.00 WAT1 ATOM 3743 H1 TIP3 588 16.701 -28.553 45.469 0.00 0.00 WAT1 ATOM 3744 H2 TIP3 588 17.818 -29.038 44.570 0.00 0.00 WAT1 ATOM 3745 OH2 TIP3 589 13.287 -30.242 47.106 0.00 0.00 WAT1 ATOM 3746 H1 TIP3 589 13.367 -29.479 47.678 0.00 0.00 WAT1 ATOM 3747 H2 TIP3 589 12.686 -29.963 46.415 0.00 0.00 WAT1 ATOM 3748 OH2 TIP3 590 6.402 -24.358 42.602 0.00 0.00 WAT1 ATOM 3749 H1 TIP3 590 6.307 -24.936 41.845 0.00 0.00 WAT1 ATOM 3750 H2 TIP3 590 7.131 -24.729 43.098 0.00 0.00 WAT1 ATOM 3751 OH2 TIP3 591 5.402 -29.017 43.554 0.00 0.00 WAT1 ATOM 3752 H1 TIP3 591 5.967 -28.896 42.791 0.00 0.00 WAT1 ATOM 3753 H2 TIP3 591 5.721 -28.380 44.193 0.00 0.00 WAT1 ATOM 3754 OH2 TIP3 592 11.711 -23.514 44.288 0.00 0.00 WAT1 ATOM 3755 H1 TIP3 592 11.470 -22.852 44.936 0.00 0.00 WAT1 ATOM 3756 H2 TIP3 592 11.513 -24.348 44.713 0.00 0.00 WAT1 ATOM 3757 OH2 TIP3 593 9.987 -22.517 39.158 0.00 0.00 WAT1 ATOM 3758 H1 TIP3 593 10.461 -22.222 39.936 0.00 0.00 WAT1 ATOM 3759 H2 TIP3 593 9.424 -21.779 38.925 0.00 0.00 WAT1 ATOM 3760 OH2 TIP3 594 3.113 -20.772 39.354 0.00 0.00 WAT1 ATOM 3761 H1 TIP3 594 3.265 -21.120 40.233 0.00 0.00 WAT1 ATOM 3762 H2 TIP3 594 2.262 -21.128 39.099 0.00 0.00 WAT1 ATOM 3763 OH2 TIP3 595 15.218 -31.414 49.371 0.00 0.00 WAT1 ATOM 3764 H1 TIP3 595 14.811 -30.933 48.651 0.00 0.00 WAT1 ATOM 3765 H2 TIP3 595 15.259 -32.319 49.064 0.00 0.00 WAT1 ATOM 3766 OH2 TIP3 596 4.986 -36.560 43.364 0.00 0.00 WAT1 ATOM 3767 H1 TIP3 596 4.125 -36.647 42.956 0.00 0.00 WAT1 ATOM 3768 H2 TIP3 596 4.964 -35.704 43.791 0.00 0.00 WAT1 ATOM 3769 OH2 TIP3 597 9.649 -36.838 46.738 0.00 0.00 WAT1 ATOM 3770 H1 TIP3 597 10.069 -37.253 47.491 0.00 0.00 WAT1 ATOM 3771 H2 TIP3 597 8.716 -37.016 46.855 0.00 0.00 WAT1 ATOM 3772 OH2 TIP3 598 12.975 -33.082 47.592 0.00 0.00 WAT1 ATOM 3773 H1 TIP3 598 12.461 -33.208 48.389 0.00 0.00 WAT1 ATOM 3774 H2 TIP3 598 12.820 -32.170 47.347 0.00 0.00 WAT1 ATOM 3775 OH2 TIP3 599 5.077 -31.594 44.459 0.00 0.00 WAT1 ATOM 3776 H1 TIP3 599 4.435 -31.635 45.168 0.00 0.00 WAT1 ATOM 3777 H2 TIP3 599 5.114 -30.668 44.221 0.00 0.00 WAT1 ATOM 3778 OH2 TIP3 600 -0.565 -34.158 40.176 0.00 0.00 WAT1 ATOM 3779 H1 TIP3 600 0.066 -34.187 40.896 0.00 0.00 WAT1 ATOM 3780 H2 TIP3 600 -0.115 -34.583 39.446 0.00 0.00 WAT1 ATOM 3781 OH2 TIP3 601 10.878 -29.873 45.673 0.00 0.00 WAT1 ATOM 3782 H1 TIP3 601 11.202 -30.504 45.030 0.00 0.00 WAT1 ATOM 3783 H2 TIP3 601 10.438 -30.408 46.334 0.00 0.00 WAT1 ATOM 3784 OH2 TIP3 602 2.484 -32.317 39.284 0.00 0.00 WAT1 ATOM 3785 H1 TIP3 602 1.595 -32.217 38.944 0.00 0.00 WAT1 ATOM 3786 H2 TIP3 602 2.780 -33.159 38.938 0.00 0.00 WAT1 ATOM 3787 OH2 TIP3 603 7.602 -32.770 44.758 0.00 0.00 WAT1 ATOM 3788 H1 TIP3 603 6.767 -32.316 44.868 0.00 0.00 WAT1 ATOM 3789 H2 TIP3 603 8.126 -32.494 45.510 0.00 0.00 WAT1 ATOM 3790 OH2 TIP3 604 3.271 -27.262 42.212 0.00 0.00 WAT1 ATOM 3791 H1 TIP3 604 4.016 -27.264 41.611 0.00 0.00 WAT1 ATOM 3792 H2 TIP3 604 3.349 -28.086 42.694 0.00 0.00 WAT1 ATOM 3793 OH2 TIP3 605 13.103 -28.072 43.484 0.00 0.00 WAT1 ATOM 3794 H1 TIP3 605 12.175 -28.304 43.457 0.00 0.00 WAT1 ATOM 3795 H2 TIP3 605 13.554 -28.849 43.154 0.00 0.00 WAT1 ATOM 3796 OH2 TIP3 606 5.646 -23.744 39.617 0.00 0.00 WAT1 ATOM 3797 H1 TIP3 606 6.173 -22.971 39.416 0.00 0.00 WAT1 ATOM 3798 H2 TIP3 606 4.766 -23.519 39.315 0.00 0.00 WAT1 ATOM 3799 OH2 TIP3 607 11.132 -25.833 45.209 0.00 0.00 WAT1 ATOM 3800 H1 TIP3 607 10.706 -26.060 46.035 0.00 0.00 WAT1 ATOM 3801 H2 TIP3 607 11.713 -26.571 45.026 0.00 0.00 WAT1 ATOM 3802 OH2 TIP3 608 14.201 -26.231 36.509 0.00 0.00 WAT1 ATOM 3803 H1 TIP3 608 13.924 -26.959 37.065 0.00 0.00 WAT1 ATOM 3804 H2 TIP3 608 15.128 -26.112 36.715 0.00 0.00 WAT1 ATOM 3805 OH2 TIP3 609 10.648 -34.307 45.975 0.00 0.00 WAT1 ATOM 3806 H1 TIP3 609 11.346 -34.233 46.625 0.00 0.00 WAT1 ATOM 3807 H2 TIP3 609 10.267 -35.171 46.130 0.00 0.00 WAT1 ATOM 3808 OH2 TIP3 610 9.168 -31.941 47.092 0.00 0.00 WAT1 ATOM 3809 H1 TIP3 610 9.287 -31.367 47.849 0.00 0.00 WAT1 ATOM 3810 H2 TIP3 610 9.823 -32.629 47.207 0.00 0.00 WAT1 ATOM 3811 OH2 TIP3 611 15.061 -21.027 43.645 0.00 0.00 WAT1 ATOM 3812 H1 TIP3 611 14.905 -20.349 42.988 0.00 0.00 WAT1 ATOM 3813 H2 TIP3 611 15.993 -20.955 43.848 0.00 0.00 WAT1 ATOM 3814 OH2 TIP3 612 2.556 -36.909 42.382 0.00 0.00 WAT1 ATOM 3815 H1 TIP3 612 2.327 -36.850 41.455 0.00 0.00 WAT1 ATOM 3816 H2 TIP3 612 2.113 -37.701 42.689 0.00 0.00 WAT1 ATOM 3817 OH2 TIP3 613 6.213 -34.612 46.196 0.00 0.00 WAT1 ATOM 3818 H1 TIP3 613 6.749 -34.161 45.544 0.00 0.00 WAT1 ATOM 3819 H2 TIP3 613 5.361 -34.720 45.774 0.00 0.00 WAT1 ATOM 3820 OH2 TIP3 614 7.795 -29.173 46.436 0.00 0.00 WAT1 ATOM 3821 H1 TIP3 614 8.546 -29.329 45.863 0.00 0.00 WAT1 ATOM 3822 H2 TIP3 614 7.456 -28.321 46.160 0.00 0.00 WAT1 ATOM 3823 OH2 TIP3 615 7.019 -37.156 46.628 0.00 0.00 WAT1 ATOM 3824 H1 TIP3 615 6.921 -36.209 46.522 0.00 0.00 WAT1 ATOM 3825 H2 TIP3 615 6.276 -37.528 46.152 0.00 0.00 WAT1 ATOM 3826 OH2 TIP3 616 10.999 -33.707 49.267 0.00 0.00 WAT1 ATOM 3827 H1 TIP3 616 10.051 -33.675 49.399 0.00 0.00 WAT1 ATOM 3828 H2 TIP3 616 11.311 -34.332 49.921 0.00 0.00 WAT1 ATOM 3829 OH2 TIP3 617 12.633 -35.073 51.272 0.00 0.00 WAT1 ATOM 3830 H1 TIP3 617 12.536 -36.025 51.266 0.00 0.00 WAT1 ATOM 3831 H2 TIP3 617 12.311 -34.804 52.133 0.00 0.00 WAT1 ATOM 3832 OH2 TIP3 618 7.241 -37.862 49.299 0.00 0.00 WAT1 ATOM 3833 H1 TIP3 618 7.953 -38.502 49.285 0.00 0.00 WAT1 ATOM 3834 H2 TIP3 618 7.140 -37.595 48.385 0.00 0.00 WAT1 ATOM 3835 OH2 TIP3 619 -0.642 -19.267 39.089 0.00 0.00 WAT1 ATOM 3836 H1 TIP3 619 -1.289 -19.729 38.556 0.00 0.00 WAT1 ATOM 3837 H2 TIP3 619 -0.287 -19.939 39.672 0.00 0.00 WAT1 ATOM 3838 OH2 TIP3 620 0.228 -21.186 40.894 0.00 0.00 WAT1 ATOM 3839 H1 TIP3 620 -0.106 -22.067 41.066 0.00 0.00 WAT1 ATOM 3840 H2 TIP3 620 0.450 -20.841 41.758 0.00 0.00 WAT1 ATOM 3841 OH2 TIP3 621 17.777 -20.377 43.874 0.00 0.00 WAT1 ATOM 3842 H1 TIP3 621 17.755 -20.192 44.813 0.00 0.00 WAT1 ATOM 3843 H2 TIP3 621 18.467 -19.808 43.533 0.00 0.00 WAT1 ATOM 3844 OH2 TIP3 622 17.092 -26.763 36.948 0.00 0.00 WAT1 ATOM 3845 H1 TIP3 622 17.942 -26.342 37.076 0.00 0.00 WAT1 ATOM 3846 H2 TIP3 622 17.097 -27.503 37.556 0.00 0.00 WAT1 ATOM 3847 OH2 TIP3 623 17.486 -28.710 38.772 0.00 0.00 WAT1 ATOM 3848 H1 TIP3 623 16.760 -29.189 39.170 0.00 0.00 WAT1 ATOM 3849 H2 TIP3 623 18.067 -28.504 39.504 0.00 0.00 WAT1 ATOM 3850 OH2 TIP3 624 0.308 -28.111 43.345 0.00 0.00 WAT1 ATOM 3851 H1 TIP3 624 0.492 -28.193 42.410 0.00 0.00 WAT1 ATOM 3852 H2 TIP3 624 1.157 -28.235 43.769 0.00 0.00 WAT1 ATOM 3853 OH2 TIP3 625 17.626 -30.316 49.658 0.00 0.00 WAT1 ATOM 3854 H1 TIP3 625 16.763 -30.695 49.493 0.00 0.00 WAT1 ATOM 3855 H2 TIP3 625 18.230 -31.055 49.584 0.00 0.00 WAT1 ATOM 3856 OH2 TIP3 626 15.624 -31.288 46.009 0.00 0.00 WAT1 ATOM 3857 H1 TIP3 626 14.781 -31.020 46.375 0.00 0.00 WAT1 ATOM 3858 H2 TIP3 626 16.067 -30.466 45.798 0.00 0.00 WAT1 ATOM 3859 OH2 TIP3 627 17.907 -37.308 51.363 0.00 0.00 WAT1 ATOM 3860 H1 TIP3 627 18.257 -37.962 50.757 0.00 0.00 WAT1 ATOM 3861 H2 TIP3 627 18.054 -36.471 50.923 0.00 0.00 WAT1 ATOM 3862 OH2 TIP3 628 1.127 -34.528 42.377 0.00 0.00 WAT1 ATOM 3863 H1 TIP3 628 1.572 -35.320 42.679 0.00 0.00 WAT1 ATOM 3864 H2 TIP3 628 1.593 -33.812 42.808 0.00 0.00 WAT1 ATOM 3865 OH2 TIP3 629 17.427 -35.199 49.712 0.00 0.00 WAT1 ATOM 3866 H1 TIP3 629 16.510 -34.928 49.676 0.00 0.00 WAT1 ATOM 3867 H2 TIP3 629 17.550 -35.734 48.928 0.00 0.00 WAT1 ATOM 3868 OH2 TIP3 630 -0.292 -36.533 45.845 0.00 0.00 WAT1 ATOM 3869 H1 TIP3 630 -0.957 -36.779 46.488 0.00 0.00 WAT1 ATOM 3870 H2 TIP3 630 -0.735 -35.911 45.268 0.00 0.00 WAT1 ATOM 3871 OH2 TIP3 631 1.671 -20.504 43.206 0.00 0.00 WAT1 ATOM 3872 H1 TIP3 631 1.652 -20.929 44.063 0.00 0.00 WAT1 ATOM 3873 H2 TIP3 631 2.476 -20.822 42.797 0.00 0.00 WAT1 ATOM 3874 OH2 TIP3 632 3.812 -21.794 41.861 0.00 0.00 WAT1 ATOM 3875 H1 TIP3 632 3.593 -22.710 42.030 0.00 0.00 WAT1 ATOM 3876 H2 TIP3 632 4.636 -21.654 42.327 0.00 0.00 WAT1 ATOM 3877 OH2 TIP3 633 6.349 -21.324 42.709 0.00 0.00 WAT1 ATOM 3878 H1 TIP3 633 6.562 -22.212 42.422 0.00 0.00 WAT1 ATOM 3879 H2 TIP3 633 6.414 -21.358 43.664 0.00 0.00 WAT1 ATOM 3880 OH2 TIP3 634 12.537 -37.829 50.911 0.00 0.00 WAT1 ATOM 3881 H1 TIP3 634 12.613 -38.255 51.765 0.00 0.00 WAT1 ATOM 3882 H2 TIP3 634 13.430 -37.815 50.569 0.00 0.00 WAT1 ATOM 3883 OH2 TIP3 635 15.351 -34.161 51.687 0.00 0.00 WAT1 ATOM 3884 H1 TIP3 635 15.961 -34.533 52.324 0.00 0.00 WAT1 ATOM 3885 H2 TIP3 635 14.514 -34.583 51.883 0.00 0.00 WAT1 ATOM 3886 OH2 TIP3 636 7.717 -18.607 -13.982 0.00 0.00 WAT1 ATOM 3887 H1 TIP3 636 7.600 -19.556 -14.036 0.00 0.00 WAT1 ATOM 3888 H2 TIP3 636 6.862 -18.275 -13.709 0.00 0.00 WAT1 ATOM 3889 OH2 TIP3 637 9.649 -17.982 -9.830 0.00 0.00 WAT1 ATOM 3890 H1 TIP3 637 10.069 -18.397 -9.077 0.00 0.00 WAT1 ATOM 3891 H2 TIP3 637 8.716 -18.160 -9.713 0.00 0.00 WAT1 ATOM 3892 OH2 TIP3 638 12.211 -12.502 -5.104 0.00 0.00 WAT1 ATOM 3893 H1 TIP3 638 12.403 -13.433 -5.215 0.00 0.00 WAT1 ATOM 3894 H2 TIP3 638 13.068 -12.077 -5.114 0.00 0.00 WAT1 ATOM 3895 OH2 TIP3 639 7.019 -18.300 -9.940 0.00 0.00 WAT1 ATOM 3896 H1 TIP3 639 6.921 -17.353 -10.046 0.00 0.00 WAT1 ATOM 3897 H2 TIP3 639 6.276 -18.672 -10.416 0.00 0.00 WAT1 ATOM 3898 OH2 TIP3 640 8.283 -13.978 -6.377 0.00 0.00 WAT1 ATOM 3899 H1 TIP3 640 8.047 -14.198 -5.475 0.00 0.00 WAT1 ATOM 3900 H2 TIP3 640 7.500 -14.185 -6.886 0.00 0.00 WAT1 ATOM 3901 OH2 TIP3 641 12.633 -16.217 -5.296 0.00 0.00 WAT1 ATOM 3902 H1 TIP3 641 12.536 -17.169 -5.302 0.00 0.00 WAT1 ATOM 3903 H2 TIP3 641 12.311 -15.948 -4.435 0.00 0.00 WAT1 ATOM 3904 OH2 TIP3 642 7.241 -19.006 -7.269 0.00 0.00 WAT1 ATOM 3905 H1 TIP3 642 7.953 -19.646 -7.283 0.00 0.00 WAT1 ATOM 3906 H2 TIP3 642 7.140 -18.739 -8.183 0.00 0.00 WAT1 ATOM 3907 OH2 TIP3 643 7.594 -17.323 -5.215 0.00 0.00 WAT1 ATOM 3908 H1 TIP3 643 7.463 -17.799 -6.036 0.00 0.00 WAT1 ATOM 3909 H2 TIP3 643 6.995 -16.579 -5.271 0.00 0.00 WAT1 ATOM 3910 OH2 TIP3 644 17.907 -18.452 -5.205 0.00 0.00 WAT1 ATOM 3911 H1 TIP3 644 18.257 -19.106 -5.811 0.00 0.00 WAT1 ATOM 3912 H2 TIP3 644 18.054 -17.615 -5.645 0.00 0.00 WAT1 ATOM 3913 OH2 TIP3 645 17.427 -16.343 -6.856 0.00 0.00 WAT1 ATOM 3914 H1 TIP3 645 16.510 -16.072 -6.892 0.00 0.00 WAT1 ATOM 3915 H2 TIP3 645 17.550 -16.878 -7.640 0.00 0.00 WAT1 ATOM 3916 OH2 TIP3 646 16.428 -18.253 -9.037 0.00 0.00 WAT1 ATOM 3917 H1 TIP3 646 15.615 -17.928 -9.425 0.00 0.00 WAT1 ATOM 3918 H2 TIP3 646 16.661 -19.013 -9.570 0.00 0.00 WAT1 ATOM 3919 OH2 TIP3 647 2.142 -17.656 -7.375 0.00 0.00 WAT1 ATOM 3920 H1 TIP3 647 1.776 -18.421 -6.932 0.00 0.00 WAT1 ATOM 3921 H2 TIP3 647 3.055 -17.627 -7.088 0.00 0.00 WAT1 ATOM 3922 OH2 TIP3 648 4.115 -18.305 -5.839 0.00 0.00 WAT1 ATOM 3923 H1 TIP3 648 5.014 -18.579 -6.024 0.00 0.00 WAT1 ATOM 3924 H2 TIP3 648 3.729 -19.048 -5.375 0.00 0.00 WAT1 ATOM 3925 OH2 TIP3 649 12.537 -18.973 -5.657 0.00 0.00 WAT1 ATOM 3926 H1 TIP3 649 12.613 -19.399 -4.803 0.00 0.00 WAT1 ATOM 3927 H2 TIP3 649 13.430 -18.959 -5.999 0.00 0.00 WAT1 ATOM 3928 OH2 TIP3 650 10.196 -9.759 5.341 0.00 0.00 WAT1 ATOM 3929 H1 TIP3 650 10.158 -10.405 6.046 0.00 0.00 WAT1 ATOM 3930 H2 TIP3 650 9.873 -10.225 4.570 0.00 0.00 WAT1 ATOM 3931 OH2 TIP3 651 17.248 -15.725 6.608 0.00 0.00 WAT1 ATOM 3932 H1 TIP3 651 17.297 -15.115 7.344 0.00 0.00 WAT1 ATOM 3933 H2 TIP3 651 17.674 -15.264 5.885 0.00 0.00 WAT1 ATOM 3934 OH2 TIP3 652 11.726 -12.932 6.075 0.00 0.00 WAT1 ATOM 3935 H1 TIP3 652 11.869 -13.879 6.095 0.00 0.00 WAT1 ATOM 3936 H2 TIP3 652 11.620 -12.725 5.146 0.00 0.00 WAT1 ATOM 3937 OH2 TIP3 653 4.881 -14.831 3.347 0.00 0.00 WAT1 ATOM 3938 H1 TIP3 653 4.924 -13.971 2.929 0.00 0.00 WAT1 ATOM 3939 H2 TIP3 653 4.423 -15.383 2.714 0.00 0.00 WAT1 ATOM 3940 OH2 TIP3 654 17.640 -14.247 8.844 0.00 0.00 WAT1 ATOM 3941 H1 TIP3 654 16.951 -13.589 8.749 0.00 0.00 WAT1 ATOM 3942 H2 TIP3 654 17.655 -14.444 9.781 0.00 0.00 WAT1 ATOM 3943 OH2 TIP3 655 3.691 -15.913 7.421 0.00 0.00 WAT1 ATOM 3944 H1 TIP3 655 3.472 -15.383 6.655 0.00 0.00 WAT1 ATOM 3945 H2 TIP3 655 3.023 -15.686 8.069 0.00 0.00 WAT1 ATOM 3946 OH2 TIP3 656 14.367 -15.409 3.729 0.00 0.00 WAT1 ATOM 3947 H1 TIP3 656 14.152 -16.175 4.261 0.00 0.00 WAT1 ATOM 3948 H2 TIP3 656 15.023 -14.937 4.242 0.00 0.00 WAT1 ATOM 3949 OH2 TIP3 657 3.285 -14.021 5.374 0.00 0.00 WAT1 ATOM 3950 H1 TIP3 657 3.898 -13.388 5.747 0.00 0.00 WAT1 ATOM 3951 H2 TIP3 657 3.797 -14.493 4.717 0.00 0.00 WAT1 ATOM 3952 OH2 TIP3 658 14.714 -16.694 7.408 0.00 0.00 WAT1 ATOM 3953 H1 TIP3 658 13.978 -16.083 7.370 0.00 0.00 WAT1 ATOM 3954 H2 TIP3 658 15.398 -16.279 6.882 0.00 0.00 WAT1 ATOM 3955 OH2 TIP3 659 15.511 -6.732 9.602 0.00 0.00 WAT1 ATOM 3956 H1 TIP3 659 15.651 -7.323 8.863 0.00 0.00 WAT1 ATOM 3957 H2 TIP3 659 15.679 -5.859 9.246 0.00 0.00 WAT1 ATOM 3958 OH2 TIP3 660 10.038 -11.312 -3.587 0.00 0.00 WAT1 ATOM 3959 H1 TIP3 660 10.739 -11.290 -2.936 0.00 0.00 WAT1 ATOM 3960 H2 TIP3 660 10.340 -11.940 -4.243 0.00 0.00 WAT1 ATOM 3961 OH2 TIP3 661 17.353 -10.392 7.668 0.00 0.00 WAT1 ATOM 3962 H1 TIP3 661 16.701 -9.697 7.757 0.00 0.00 WAT1 ATOM 3963 H2 TIP3 661 17.818 -10.182 6.858 0.00 0.00 WAT1 ATOM 3964 OH2 TIP3 662 12.261 -10.398 -1.989 0.00 0.00 WAT1 ATOM 3965 H1 TIP3 662 12.840 -10.248 -1.242 0.00 0.00 WAT1 ATOM 3966 H2 TIP3 662 12.675 -9.927 -2.712 0.00 0.00 WAT1 ATOM 3967 OH2 TIP3 663 15.959 -18.648 -2.176 0.00 0.00 WAT1 ATOM 3968 H1 TIP3 663 15.060 -18.509 -1.881 0.00 0.00 WAT1 ATOM 3969 H2 TIP3 663 16.211 -17.817 -2.578 0.00 0.00 WAT1 ATOM 3970 OH2 TIP3 664 4.986 -17.704 5.652 0.00 0.00 WAT1 ATOM 3971 H1 TIP3 664 4.125 -17.791 5.244 0.00 0.00 WAT1 ATOM 3972 H2 TIP3 664 4.964 -16.848 6.079 0.00 0.00 WAT1 ATOM 3973 OH2 TIP3 665 9.311 -15.489 -3.689 0.00 0.00 WAT1 ATOM 3974 H1 TIP3 665 9.057 -15.470 -2.766 0.00 0.00 WAT1 ATOM 3975 H2 TIP3 665 9.054 -16.361 -3.990 0.00 0.00 WAT1 ATOM 3976 OH2 TIP3 666 5.077 -12.738 6.747 0.00 0.00 WAT1 ATOM 3977 H1 TIP3 666 4.435 -12.779 7.456 0.00 0.00 WAT1 ATOM 3978 H2 TIP3 666 5.114 -11.812 6.509 0.00 0.00 WAT1 ATOM 3979 OH2 TIP3 667 10.610 -12.101 0.476 0.00 0.00 WAT1 ATOM 3980 H1 TIP3 667 10.201 -11.286 0.184 0.00 0.00 WAT1 ATOM 3981 H2 TIP3 667 11.330 -12.241 -0.139 0.00 0.00 WAT1 ATOM 3982 OH2 TIP3 668 11.614 -12.655 3.290 0.00 0.00 WAT1 ATOM 3983 H1 TIP3 668 11.419 -12.050 2.575 0.00 0.00 WAT1 ATOM 3984 H2 TIP3 668 11.796 -13.489 2.855 0.00 0.00 WAT1 ATOM 3985 OH2 TIP3 669 6.193 -15.044 -4.588 0.00 0.00 WAT1 ATOM 3986 H1 TIP3 669 5.762 -15.489 -3.858 0.00 0.00 WAT1 ATOM 3987 H2 TIP3 669 5.475 -14.672 -5.100 0.00 0.00 WAT1 ATOM 3988 OH2 TIP3 670 7.656 -15.090 2.745 0.00 0.00 WAT1 ATOM 3989 H1 TIP3 670 6.745 -15.033 3.034 0.00 0.00 WAT1 ATOM 3990 H2 TIP3 670 8.161 -15.150 3.556 0.00 0.00 WAT1 ATOM 3991 OH2 TIP3 671 6.137 -13.461 -0.772 0.00 0.00 WAT1 ATOM 3992 H1 TIP3 671 7.069 -13.332 -0.594 0.00 0.00 WAT1 ATOM 3993 H2 TIP3 671 5.922 -12.791 -1.421 0.00 0.00 WAT1 ATOM 3994 OH2 TIP3 672 8.976 -12.302 4.632 0.00 0.00 WAT1 ATOM 3995 H1 TIP3 672 9.540 -12.849 4.085 0.00 0.00 WAT1 ATOM 3996 H2 TIP3 672 8.828 -12.824 5.421 0.00 0.00 WAT1 ATOM 3997 OH2 TIP3 673 3.978 -16.166 1.050 0.00 0.00 WAT1 ATOM 3998 H1 TIP3 673 3.661 -17.068 1.015 0.00 0.00 WAT1 ATOM 3999 H2 TIP3 673 4.759 -16.164 0.498 0.00 0.00 WAT1 ATOM 4000 OH2 TIP3 674 7.602 -13.914 7.046 0.00 0.00 WAT1 ATOM 4001 H1 TIP3 674 6.767 -13.460 7.156 0.00 0.00 WAT1 ATOM 4002 H2 TIP3 674 8.126 -13.638 7.798 0.00 0.00 WAT1 ATOM 4003 OH2 TIP3 675 15.296 -8.568 7.517 0.00 0.00 WAT1 ATOM 4004 H1 TIP3 675 15.938 -8.111 6.974 0.00 0.00 WAT1 ATOM 4005 H2 TIP3 675 14.466 -8.455 7.055 0.00 0.00 WAT1 ATOM 4006 OH2 TIP3 676 12.044 -14.887 -3.070 0.00 0.00 WAT1 ATOM 4007 H1 TIP3 676 11.106 -14.775 -3.221 0.00 0.00 WAT1 ATOM 4008 H2 TIP3 676 12.341 -14.030 -2.764 0.00 0.00 WAT1 ATOM 4009 OH2 TIP3 677 9.666 -7.517 9.968 0.00 0.00 WAT1 ATOM 4010 H1 TIP3 677 9.320 -7.898 10.774 0.00 0.00 WAT1 ATOM 4011 H2 TIP3 677 9.466 -6.583 10.039 0.00 0.00 WAT1 ATOM 4012 OH2 TIP3 678 12.762 -13.020 -1.409 0.00 0.00 WAT1 ATOM 4013 H1 TIP3 678 13.654 -13.157 -1.090 0.00 0.00 WAT1 ATOM 4014 H2 TIP3 678 12.819 -12.229 -1.946 0.00 0.00 WAT1 ATOM 4015 OH2 TIP3 679 7.296 -10.428 12.028 0.00 0.00 WAT1 ATOM 4016 H1 TIP3 679 7.000 -10.594 11.133 0.00 0.00 WAT1 ATOM 4017 H2 TIP3 679 8.227 -10.648 12.018 0.00 0.00 WAT1 ATOM 4018 OH2 TIP3 680 11.916 -5.055 9.918 0.00 0.00 WAT1 ATOM 4019 H1 TIP3 680 11.015 -4.872 9.650 0.00 0.00 WAT1 ATOM 4020 H2 TIP3 680 11.950 -4.796 10.839 0.00 0.00 WAT1 ATOM 4021 OH2 TIP3 681 17.647 -12.810 -1.715 0.00 0.00 WAT1 ATOM 4022 H1 TIP3 681 17.093 -13.206 -2.387 0.00 0.00 WAT1 ATOM 4023 H2 TIP3 681 17.748 -11.900 -1.992 0.00 0.00 WAT1 ATOM 4024 OH2 TIP3 682 17.611 -7.010 11.122 0.00 0.00 WAT1 ATOM 4025 H1 TIP3 682 16.759 -6.772 10.755 0.00 0.00 WAT1 ATOM 4026 H2 TIP3 682 18.201 -7.027 10.369 0.00 0.00 WAT1 ATOM 4027 OH2 TIP3 683 13.103 -9.216 5.772 0.00 0.00 WAT1 ATOM 4028 H1 TIP3 683 12.175 -9.448 5.745 0.00 0.00 WAT1 ATOM 4029 H2 TIP3 683 13.554 -9.993 5.442 0.00 0.00 WAT1 ATOM 4030 OH2 TIP3 684 11.132 -6.977 7.497 0.00 0.00 WAT1 ATOM 4031 H1 TIP3 684 10.706 -7.204 8.323 0.00 0.00 WAT1 ATOM 4032 H2 TIP3 684 11.713 -7.715 7.314 0.00 0.00 WAT1 ATOM 4033 OH2 TIP3 685 1.913 -15.192 9.373 0.00 0.00 WAT1 ATOM 4034 H1 TIP3 685 1.020 -14.853 9.306 0.00 0.00 WAT1 ATOM 4035 H2 TIP3 685 1.814 -16.047 9.791 0.00 0.00 WAT1 ATOM 4036 OH2 TIP3 686 8.632 -14.071 0.195 0.00 0.00 WAT1 ATOM 4037 H1 TIP3 686 9.444 -13.567 0.241 0.00 0.00 WAT1 ATOM 4038 H2 TIP3 686 8.387 -14.216 1.109 0.00 0.00 WAT1 ATOM 4039 OH2 TIP3 687 9.168 -13.085 9.380 0.00 0.00 WAT1 ATOM 4040 H1 TIP3 687 9.287 -12.511 10.137 0.00 0.00 WAT1 ATOM 4041 H2 TIP3 687 9.823 -13.773 9.495 0.00 0.00 WAT1 ATOM 4042 OH2 TIP3 688 5.173 -15.927 -2.179 0.00 0.00 WAT1 ATOM 4043 H1 TIP3 688 5.090 -15.038 -1.833 0.00 0.00 WAT1 ATOM 4044 H2 TIP3 688 6.063 -16.192 -1.948 0.00 0.00 WAT1 ATOM 4045 OH2 TIP3 689 13.974 -11.427 4.311 0.00 0.00 WAT1 ATOM 4046 H1 TIP3 689 13.177 -11.842 3.982 0.00 0.00 WAT1 ATOM 4047 H2 TIP3 689 14.419 -12.118 4.802 0.00 0.00 WAT1 ATOM 4048 OH2 TIP3 690 2.556 -18.053 4.670 0.00 0.00 WAT1 ATOM 4049 H1 TIP3 690 2.327 -17.994 3.743 0.00 0.00 WAT1 ATOM 4050 H2 TIP3 690 2.113 -18.845 4.977 0.00 0.00 WAT1 ATOM 4051 OH2 TIP3 691 7.337 -7.720 12.548 0.00 0.00 WAT1 ATOM 4052 H1 TIP3 691 7.009 -7.449 11.690 0.00 0.00 WAT1 ATOM 4053 H2 TIP3 691 7.489 -8.661 12.460 0.00 0.00 WAT1 ATOM 4054 OH2 TIP3 692 13.072 -7.804 9.931 0.00 0.00 WAT1 ATOM 4055 H1 TIP3 692 13.817 -7.216 9.811 0.00 0.00 WAT1 ATOM 4056 H2 TIP3 692 12.315 -7.222 9.994 0.00 0.00 WAT1 ATOM 4057 OH2 TIP3 693 5.461 -11.481 9.909 0.00 0.00 WAT1 ATOM 4058 H1 TIP3 693 4.843 -10.806 10.190 0.00 0.00 WAT1 ATOM 4059 H2 TIP3 693 5.805 -11.160 9.076 0.00 0.00 WAT1 ATOM 4060 OH2 TIP3 694 10.481 -9.010 13.187 0.00 0.00 WAT1 ATOM 4061 H1 TIP3 694 11.434 -8.926 13.159 0.00 0.00 WAT1 ATOM 4062 H2 TIP3 694 10.321 -9.721 13.806 0.00 0.00 WAT1 ATOM 4063 OH2 TIP3 695 5.801 -14.126 10.992 0.00 0.00 WAT1 ATOM 4064 H1 TIP3 695 5.951 -14.855 10.389 0.00 0.00 WAT1 ATOM 4065 H2 TIP3 695 5.803 -13.349 10.433 0.00 0.00 WAT1 ATOM 4066 OH2 TIP3 696 6.213 -15.756 8.484 0.00 0.00 WAT1 ATOM 4067 H1 TIP3 696 6.749 -15.305 7.832 0.00 0.00 WAT1 ATOM 4068 H2 TIP3 696 5.361 -15.864 8.062 0.00 0.00 WAT1 ATOM 4069 OH2 TIP3 697 7.795 -10.317 8.724 0.00 0.00 WAT1 ATOM 4070 H1 TIP3 697 8.546 -10.473 8.151 0.00 0.00 WAT1 ATOM 4071 H2 TIP3 697 7.456 -9.465 8.448 0.00 0.00 WAT1 ATOM 4072 OH2 TIP3 698 4.279 -12.928 12.903 0.00 0.00 WAT1 ATOM 4073 H1 TIP3 698 3.512 -13.460 12.693 0.00 0.00 WAT1 ATOM 4074 H2 TIP3 698 4.958 -13.238 12.304 0.00 0.00 WAT1 ATOM 4075 OH2 TIP3 699 8.283 -13.978 12.479 0.00 0.00 WAT1 ATOM 4076 H1 TIP3 699 8.047 -14.198 13.381 0.00 0.00 WAT1 ATOM 4077 H2 TIP3 699 7.500 -14.185 11.970 0.00 0.00 WAT1 ATOM 4078 OH2 TIP3 700 2.460 -15.007 12.608 0.00 0.00 WAT1 ATOM 4079 H1 TIP3 700 2.671 -15.714 11.997 0.00 0.00 WAT1 ATOM 4080 H2 TIP3 700 2.348 -15.445 13.452 0.00 0.00 WAT1 ATOM 4081 OH2 TIP3 701 7.594 -17.323 13.641 0.00 0.00 WAT1 ATOM 4082 H1 TIP3 701 7.463 -17.799 12.820 0.00 0.00 WAT1 ATOM 4083 H2 TIP3 701 6.995 -16.579 13.585 0.00 0.00 WAT1 ATOM 4084 OH2 TIP3 702 15.791 -6.164 13.722 0.00 0.00 WAT1 ATOM 4085 H1 TIP3 702 14.925 -6.269 14.116 0.00 0.00 WAT1 ATOM 4086 H2 TIP3 702 16.167 -5.405 14.169 0.00 0.00 WAT1 ATOM 4087 OH2 TIP3 703 17.245 -7.069 6.008 0.00 0.00 WAT1 ATOM 4088 H1 TIP3 703 18.079 -7.447 5.727 0.00 0.00 WAT1 ATOM 4089 H2 TIP3 703 17.357 -6.126 5.889 0.00 0.00 WAT1 ATOM 4090 OH2 TIP3 704 15.273 -11.333 1.623 0.00 0.00 WAT1 ATOM 4091 H1 TIP3 704 15.123 -12.278 1.603 0.00 0.00 WAT1 ATOM 4092 H2 TIP3 704 14.919 -11.052 2.467 0.00 0.00 WAT1 ATOM 4093 OH2 TIP3 705 17.626 -11.460 11.946 0.00 0.00 WAT1 ATOM 4094 H1 TIP3 705 16.763 -11.839 11.781 0.00 0.00 WAT1 ATOM 4095 H2 TIP3 705 18.230 -12.199 11.872 0.00 0.00 WAT1 ATOM 4096 OH2 TIP3 706 15.351 -15.305 -4.881 0.00 0.00 WAT1 ATOM 4097 H1 TIP3 706 15.961 -15.677 -4.244 0.00 0.00 WAT1 ATOM 4098 H2 TIP3 706 14.514 -15.727 -4.685 0.00 0.00 WAT1 ATOM 4099 OH2 TIP3 707 14.983 -13.750 0.085 0.00 0.00 WAT1 ATOM 4100 H1 TIP3 707 15.263 -14.657 0.210 0.00 0.00 WAT1 ATOM 4101 H2 TIP3 707 15.742 -13.316 -0.304 0.00 0.00 WAT1 ATOM 4102 OH2 TIP3 708 15.595 -13.169 5.521 0.00 0.00 WAT1 ATOM 4103 H1 TIP3 708 16.528 -12.957 5.487 0.00 0.00 WAT1 ATOM 4104 H2 TIP3 708 15.360 -13.067 6.444 0.00 0.00 WAT1 ATOM 4105 OH2 TIP3 709 -0.094 -13.984 11.774 0.00 0.00 WAT1 ATOM 4106 H1 TIP3 709 0.825 -14.106 12.010 0.00 0.00 WAT1 ATOM 4107 H2 TIP3 709 -0.544 -14.734 12.163 0.00 0.00 WAT1 ATOM 4108 OH2 TIP3 710 17.463 -16.420 -3.338 0.00 0.00 WAT1 ATOM 4109 H1 TIP3 710 17.876 -17.141 -3.814 0.00 0.00 WAT1 ATOM 4110 H2 TIP3 710 18.145 -15.750 -3.280 0.00 0.00 WAT1 ATOM 4111 OH2 TIP3 711 -0.292 -17.677 8.133 0.00 0.00 WAT1 ATOM 4112 H1 TIP3 711 -0.957 -17.923 8.776 0.00 0.00 WAT1 ATOM 4113 H2 TIP3 711 -0.735 -17.055 7.556 0.00 0.00 WAT1 ATOM 4114 OH2 TIP3 712 16.727 -17.558 2.588 0.00 0.00 WAT1 ATOM 4115 H1 TIP3 712 17.339 -18.072 2.061 0.00 0.00 WAT1 ATOM 4116 H2 TIP3 712 17.110 -16.680 2.611 0.00 0.00 WAT1 ATOM 4117 OH2 TIP3 713 2.184 -18.170 1.964 0.00 0.00 WAT1 ATOM 4118 H1 TIP3 713 1.407 -18.404 1.456 0.00 0.00 WAT1 ATOM 4119 H2 TIP3 713 2.715 -18.967 1.972 0.00 0.00 WAT1 ATOM 4120 OH2 TIP3 714 1.021 -18.372 -2.233 0.00 0.00 WAT1 ATOM 4121 H1 TIP3 714 1.460 -17.761 -2.824 0.00 0.00 WAT1 ATOM 4122 H2 TIP3 714 0.387 -17.834 -1.759 0.00 0.00 WAT1 ATOM 4123 OH2 TIP3 715 2.882 -16.456 -3.790 0.00 0.00 WAT1 ATOM 4124 H1 TIP3 715 3.373 -17.086 -4.318 0.00 0.00 WAT1 ATOM 4125 H2 TIP3 715 3.505 -16.160 -3.127 0.00 0.00 WAT1 ATOM 4126 OH2 TIP3 716 2.142 -17.656 11.481 0.00 0.00 WAT1 ATOM 4127 H1 TIP3 716 1.776 -18.421 11.924 0.00 0.00 WAT1 ATOM 4128 H2 TIP3 716 3.055 -17.627 11.768 0.00 0.00 WAT1 ATOM 4129 OH2 TIP3 717 11.263 -9.014 20.778 0.00 0.00 WAT1 ATOM 4130 H1 TIP3 717 11.352 -8.070 20.646 0.00 0.00 WAT1 ATOM 4131 H2 TIP3 717 10.624 -9.289 20.120 0.00 0.00 WAT1 ATOM 4132 OH2 TIP3 718 10.196 -9.759 24.197 0.00 0.00 WAT1 ATOM 4133 H1 TIP3 718 10.158 -10.405 24.902 0.00 0.00 WAT1 ATOM 4134 H2 TIP3 718 9.873 -10.225 23.426 0.00 0.00 WAT1 ATOM 4135 OH2 TIP3 719 2.564 -10.144 25.790 0.00 0.00 WAT1 ATOM 4136 H1 TIP3 719 2.606 -10.770 26.514 0.00 0.00 WAT1 ATOM 4137 H2 TIP3 719 3.267 -9.521 25.972 0.00 0.00 WAT1 ATOM 4138 OH2 TIP3 720 13.902 -6.820 22.499 0.00 0.00 WAT1 ATOM 4139 H1 TIP3 720 13.461 -7.540 22.949 0.00 0.00 WAT1 ATOM 4140 H2 TIP3 720 13.889 -6.099 23.129 0.00 0.00 WAT1 ATOM 4141 OH2 TIP3 721 0.098 -12.034 19.718 0.00 0.00 WAT1 ATOM 4142 H1 TIP3 721 -0.350 -11.188 19.700 0.00 0.00 WAT1 ATOM 4143 H2 TIP3 721 -0.463 -12.614 19.203 0.00 0.00 WAT1 ATOM 4144 OH2 TIP3 722 0.808 -9.872 21.844 0.00 0.00 WAT1 ATOM 4145 H1 TIP3 722 1.022 -10.642 22.371 0.00 0.00 WAT1 ATOM 4146 H2 TIP3 722 1.546 -9.783 21.241 0.00 0.00 WAT1 ATOM 4147 OH2 TIP3 723 8.585 -7.326 24.603 0.00 0.00 WAT1 ATOM 4148 H1 TIP3 723 8.889 -8.012 24.009 0.00 0.00 WAT1 ATOM 4149 H2 TIP3 723 9.307 -7.208 25.221 0.00 0.00 WAT1 ATOM 4150 OH2 TIP3 724 4.881 -14.831 22.203 0.00 0.00 WAT1 ATOM 4151 H1 TIP3 724 4.924 -13.971 21.785 0.00 0.00 WAT1 ATOM 4152 H2 TIP3 724 4.423 -15.383 21.570 0.00 0.00 WAT1 ATOM 4153 OH2 TIP3 725 1.501 -12.434 22.965 0.00 0.00 WAT1 ATOM 4154 H1 TIP3 725 2.155 -12.984 23.397 0.00 0.00 WAT1 ATOM 4155 H2 TIP3 725 1.525 -12.708 22.049 0.00 0.00 WAT1 ATOM 4156 OH2 TIP3 726 6.657 -10.884 22.181 0.00 0.00 WAT1 ATOM 4157 H1 TIP3 726 7.273 -11.410 22.690 0.00 0.00 WAT1 ATOM 4158 H2 TIP3 726 6.071 -11.524 21.777 0.00 0.00 WAT1 ATOM 4159 OH2 TIP3 727 6.260 -8.237 26.565 0.00 0.00 WAT1 ATOM 4160 H1 TIP3 727 5.520 -7.639 26.668 0.00 0.00 WAT1 ATOM 4161 H2 TIP3 727 6.974 -7.683 26.249 0.00 0.00 WAT1 ATOM 4162 OH2 TIP3 728 3.285 -14.021 24.230 0.00 0.00 WAT1 ATOM 4163 H1 TIP3 728 3.898 -13.388 24.603 0.00 0.00 WAT1 ATOM 4164 H2 TIP3 728 3.797 -14.493 23.573 0.00 0.00 WAT1 ATOM 4165 OH2 TIP3 729 14.414 -4.980 24.847 0.00 0.00 WAT1 ATOM 4166 H1 TIP3 729 13.472 -4.922 25.008 0.00 0.00 WAT1 ATOM 4167 H2 TIP3 729 14.690 -4.074 24.710 0.00 0.00 WAT1 ATOM 4168 OH2 TIP3 730 15.511 -6.732 28.458 0.00 0.00 WAT1 ATOM 4169 H1 TIP3 730 15.651 -7.323 27.719 0.00 0.00 WAT1 ATOM 4170 H2 TIP3 730 15.679 -5.859 28.102 0.00 0.00 WAT1 ATOM 4171 OH2 TIP3 731 9.984 -9.770 18.230 0.00 0.00 WAT1 ATOM 4172 H1 TIP3 731 9.272 -9.235 17.879 0.00 0.00 WAT1 ATOM 4173 H2 TIP3 731 10.675 -9.714 17.570 0.00 0.00 WAT1 ATOM 4174 OH2 TIP3 732 10.038 -11.312 15.269 0.00 0.00 WAT1 ATOM 4175 H1 TIP3 732 10.739 -11.290 15.920 0.00 0.00 WAT1 ATOM 4176 H2 TIP3 732 10.340 -11.940 14.613 0.00 0.00 WAT1 ATOM 4177 OH2 TIP3 733 13.390 -9.560 19.182 0.00 0.00 WAT1 ATOM 4178 H1 TIP3 733 12.658 -9.332 19.755 0.00 0.00 WAT1 ATOM 4179 H2 TIP3 733 13.837 -10.274 19.637 0.00 0.00 WAT1 ATOM 4180 OH2 TIP3 734 13.287 -11.386 28.250 0.00 0.00 WAT1 ATOM 4181 H1 TIP3 734 13.367 -10.623 28.822 0.00 0.00 WAT1 ATOM 4182 H2 TIP3 734 12.686 -11.107 27.559 0.00 0.00 WAT1 ATOM 4183 OH2 TIP3 735 5.402 -10.161 24.698 0.00 0.00 WAT1 ATOM 4184 H1 TIP3 735 5.967 -10.040 23.935 0.00 0.00 WAT1 ATOM 4185 H2 TIP3 735 5.721 -9.524 25.337 0.00 0.00 WAT1 ATOM 4186 OH2 TIP3 736 12.261 -10.398 16.867 0.00 0.00 WAT1 ATOM 4187 H1 TIP3 736 12.840 -10.248 17.614 0.00 0.00 WAT1 ATOM 4188 H2 TIP3 736 12.675 -9.927 16.144 0.00 0.00 WAT1 ATOM 4189 OH2 TIP3 737 3.202 -9.564 28.644 0.00 0.00 WAT1 ATOM 4190 H1 TIP3 737 3.272 -8.913 29.342 0.00 0.00 WAT1 ATOM 4191 H2 TIP3 737 2.311 -9.461 28.309 0.00 0.00 WAT1 ATOM 4192 OH2 TIP3 738 18.066 -4.051 30.035 0.00 0.00 WAT1 ATOM 4193 H1 TIP3 738 18.017 -5.006 29.998 0.00 0.00 WAT1 ATOM 4194 H2 TIP3 738 17.240 -3.783 30.437 0.00 0.00 WAT1 ATOM 4195 OH2 TIP3 739 13.738 -9.365 14.497 0.00 0.00 WAT1 ATOM 4196 H1 TIP3 739 13.780 -9.588 13.567 0.00 0.00 WAT1 ATOM 4197 H2 TIP3 739 14.587 -8.967 14.687 0.00 0.00 WAT1 ATOM 4198 OH2 TIP3 740 5.077 -12.738 25.603 0.00 0.00 WAT1 ATOM 4199 H1 TIP3 740 4.435 -12.779 26.312 0.00 0.00 WAT1 ATOM 4200 H2 TIP3 740 5.114 -11.812 25.365 0.00 0.00 WAT1 ATOM 4201 OH2 TIP3 741 5.074 -12.517 20.515 0.00 0.00 WAT1 ATOM 4202 H1 TIP3 741 4.181 -12.858 20.456 0.00 0.00 WAT1 ATOM 4203 H2 TIP3 741 5.525 -12.894 19.759 0.00 0.00 WAT1 ATOM 4204 OH2 TIP3 742 10.610 -12.101 19.332 0.00 0.00 WAT1 ATOM 4205 H1 TIP3 742 10.201 -11.286 19.040 0.00 0.00 WAT1 ATOM 4206 H2 TIP3 742 11.330 -12.241 18.717 0.00 0.00 WAT1 ATOM 4207 OH2 TIP3 743 9.712 -11.926 30.820 0.00 0.00 WAT1 ATOM 4208 H1 TIP3 743 9.149 -12.630 31.140 0.00 0.00 WAT1 ATOM 4209 H2 TIP3 743 10.538 -12.046 31.287 0.00 0.00 WAT1 ATOM 4210 OH2 TIP3 744 11.614 -12.655 22.146 0.00 0.00 WAT1 ATOM 4211 H1 TIP3 744 11.419 -12.050 21.431 0.00 0.00 WAT1 ATOM 4212 H2 TIP3 744 11.796 -13.489 21.711 0.00 0.00 WAT1 ATOM 4213 OH2 TIP3 745 6.193 -15.044 14.268 0.00 0.00 WAT1 ATOM 4214 H1 TIP3 745 5.762 -15.489 14.998 0.00 0.00 WAT1 ATOM 4215 H2 TIP3 745 5.475 -14.672 13.756 0.00 0.00 WAT1 ATOM 4216 OH2 TIP3 746 0.710 -14.556 16.744 0.00 0.00 WAT1 ATOM 4217 H1 TIP3 746 1.184 -13.965 16.159 0.00 0.00 WAT1 ATOM 4218 H2 TIP3 746 -0.008 -14.025 17.091 0.00 0.00 WAT1 ATOM 4219 OH2 TIP3 747 2.484 -13.461 20.428 0.00 0.00 WAT1 ATOM 4220 H1 TIP3 747 1.595 -13.361 20.088 0.00 0.00 WAT1 ATOM 4221 H2 TIP3 747 2.780 -14.303 20.082 0.00 0.00 WAT1 ATOM 4222 OH2 TIP3 748 6.137 -13.461 18.084 0.00 0.00 WAT1 ATOM 4223 H1 TIP3 748 7.069 -13.332 18.262 0.00 0.00 WAT1 ATOM 4224 H2 TIP3 748 5.922 -12.791 17.435 0.00 0.00 WAT1 ATOM 4225 OH2 TIP3 749 4.811 -12.266 15.651 0.00 0.00 WAT1 ATOM 4226 H1 TIP3 749 4.269 -12.646 14.960 0.00 0.00 WAT1 ATOM 4227 H2 TIP3 749 5.645 -12.072 15.222 0.00 0.00 WAT1 ATOM 4228 OH2 TIP3 750 2.946 -7.709 30.750 0.00 0.00 WAT1 ATOM 4229 H1 TIP3 750 3.679 -7.455 31.311 0.00 0.00 WAT1 ATOM 4230 H2 TIP3 750 2.166 -7.505 31.265 0.00 0.00 WAT1 ATOM 4231 OH2 TIP3 751 15.296 -8.568 26.373 0.00 0.00 WAT1 ATOM 4232 H1 TIP3 751 15.938 -8.111 25.830 0.00 0.00 WAT1 ATOM 4233 H2 TIP3 751 14.466 -8.455 25.911 0.00 0.00 WAT1 ATOM 4234 OH2 TIP3 752 9.666 -7.517 28.824 0.00 0.00 WAT1 ATOM 4235 H1 TIP3 752 9.320 -7.898 29.630 0.00 0.00 WAT1 ATOM 4236 H2 TIP3 752 9.466 -6.583 28.895 0.00 0.00 WAT1 ATOM 4237 OH2 TIP3 753 0.279 -9.945 28.671 0.00 0.00 WAT1 ATOM 4238 H1 TIP3 753 0.502 -10.363 29.503 0.00 0.00 WAT1 ATOM 4239 H2 TIP3 753 -0.323 -10.558 28.249 0.00 0.00 WAT1 ATOM 4240 OH2 TIP3 754 7.296 -10.428 30.884 0.00 0.00 WAT1 ATOM 4241 H1 TIP3 754 7.000 -10.594 29.989 0.00 0.00 WAT1 ATOM 4242 H2 TIP3 754 8.227 -10.648 30.874 0.00 0.00 WAT1 ATOM 4243 OH2 TIP3 755 17.611 -7.010 29.978 0.00 0.00 WAT1 ATOM 4244 H1 TIP3 755 16.759 -6.772 29.611 0.00 0.00 WAT1 ATOM 4245 H2 TIP3 755 18.201 -7.027 29.225 0.00 0.00 WAT1 ATOM 4246 OH2 TIP3 756 13.103 -9.216 24.628 0.00 0.00 WAT1 ATOM 4247 H1 TIP3 756 12.175 -9.448 24.601 0.00 0.00 WAT1 ATOM 4248 H2 TIP3 756 13.554 -9.993 24.298 0.00 0.00 WAT1 ATOM 4249 OH2 TIP3 757 11.132 -6.977 26.353 0.00 0.00 WAT1 ATOM 4250 H1 TIP3 757 10.706 -7.204 27.179 0.00 0.00 WAT1 ATOM 4251 H2 TIP3 757 11.713 -7.715 26.170 0.00 0.00 WAT1 ATOM 4252 OH2 TIP3 758 14.201 -7.375 17.653 0.00 0.00 WAT1 ATOM 4253 H1 TIP3 758 13.924 -8.103 18.209 0.00 0.00 WAT1 ATOM 4254 H2 TIP3 758 15.128 -7.256 17.859 0.00 0.00 WAT1 ATOM 4255 OH2 TIP3 759 13.974 -11.427 23.167 0.00 0.00 WAT1 ATOM 4256 H1 TIP3 759 13.177 -11.842 22.838 0.00 0.00 WAT1 ATOM 4257 H2 TIP3 759 14.419 -12.118 23.658 0.00 0.00 WAT1 ATOM 4258 OH2 TIP3 760 7.337 -7.720 31.404 0.00 0.00 WAT1 ATOM 4259 H1 TIP3 760 7.009 -7.449 30.546 0.00 0.00 WAT1 ATOM 4260 H2 TIP3 760 7.489 -8.661 31.316 0.00 0.00 WAT1 ATOM 4261 OH2 TIP3 761 10.375 -6.299 13.839 0.00 0.00 WAT1 ATOM 4262 H1 TIP3 761 10.107 -6.119 14.740 0.00 0.00 WAT1 ATOM 4263 H2 TIP3 761 10.169 -7.225 13.708 0.00 0.00 WAT1 ATOM 4264 OH2 TIP3 762 13.072 -7.804 28.787 0.00 0.00 WAT1 ATOM 4265 H1 TIP3 762 13.817 -7.216 28.667 0.00 0.00 WAT1 ATOM 4266 H2 TIP3 762 12.315 -7.222 28.850 0.00 0.00 WAT1 ATOM 4267 OH2 TIP3 763 1.514 -10.490 31.391 0.00 0.00 WAT1 ATOM 4268 H1 TIP3 763 1.922 -11.347 31.270 0.00 0.00 WAT1 ATOM 4269 H2 TIP3 763 1.254 -10.475 32.312 0.00 0.00 WAT1 ATOM 4270 OH2 TIP3 764 7.243 -11.131 14.672 0.00 0.00 WAT1 ATOM 4271 H1 TIP3 764 7.063 -11.285 13.744 0.00 0.00 WAT1 ATOM 4272 H2 TIP3 764 8.194 -11.023 14.716 0.00 0.00 WAT1 ATOM 4273 OH2 TIP3 765 10.481 -9.010 32.043 0.00 0.00 WAT1 ATOM 4274 H1 TIP3 765 11.434 -8.926 32.015 0.00 0.00 WAT1 ATOM 4275 H2 TIP3 765 10.321 -9.721 32.662 0.00 0.00 WAT1 ATOM 4276 OH2 TIP3 766 16.633 -8.776 14.117 0.00 0.00 WAT1 ATOM 4277 H1 TIP3 766 16.360 -9.201 13.304 0.00 0.00 WAT1 ATOM 4278 H2 TIP3 766 16.673 -7.845 13.900 0.00 0.00 WAT1 ATOM 4279 OH2 TIP3 767 7.795 -10.317 27.580 0.00 0.00 WAT1 ATOM 4280 H1 TIP3 767 8.546 -10.473 27.007 0.00 0.00 WAT1 ATOM 4281 H2 TIP3 767 7.456 -9.465 27.304 0.00 0.00 WAT1 ATOM 4282 OH2 TIP3 768 13.527 -9.713 30.686 0.00 0.00 WAT1 ATOM 4283 H1 TIP3 768 13.246 -9.004 30.108 0.00 0.00 WAT1 ATOM 4284 H2 TIP3 768 14.470 -9.786 30.535 0.00 0.00 WAT1 ATOM 4285 OH2 TIP3 769 17.092 -7.907 18.092 0.00 0.00 WAT1 ATOM 4286 H1 TIP3 769 17.942 -7.486 18.220 0.00 0.00 WAT1 ATOM 4287 H2 TIP3 769 17.097 -8.647 18.700 0.00 0.00 WAT1 ATOM 4288 OH2 TIP3 770 17.245 -7.069 24.864 0.00 0.00 WAT1 ATOM 4289 H1 TIP3 770 18.079 -7.447 24.583 0.00 0.00 WAT1 ATOM 4290 H2 TIP3 770 17.357 -6.126 24.745 0.00 0.00 WAT1 ATOM 4291 OH2 TIP3 771 15.732 -4.191 27.171 0.00 0.00 WAT1 ATOM 4292 H1 TIP3 771 15.084 -3.866 27.796 0.00 0.00 WAT1 ATOM 4293 H2 TIP3 771 15.214 -4.631 26.496 0.00 0.00 WAT1 ATOM 4294 OH2 TIP3 772 17.754 -9.953 16.307 0.00 0.00 WAT1 ATOM 4295 H1 TIP3 772 17.233 -9.596 15.588 0.00 0.00 WAT1 ATOM 4296 H2 TIP3 772 17.721 -9.278 16.985 0.00 0.00 WAT1 ATOM 4297 OH2 TIP3 773 0.308 -9.255 24.489 0.00 0.00 WAT1 ATOM 4298 H1 TIP3 773 0.492 -9.337 23.554 0.00 0.00 WAT1 ATOM 4299 H2 TIP3 773 1.157 -9.379 24.913 0.00 0.00 WAT1 ATOM 4300 OH2 TIP3 774 16.129 -9.363 30.118 0.00 0.00 WAT1 ATOM 4301 H1 TIP3 774 16.712 -10.097 30.309 0.00 0.00 WAT1 ATOM 4302 H2 TIP3 774 16.693 -8.591 30.164 0.00 0.00 WAT1 ATOM 4303 OH2 TIP3 775 15.624 -12.432 27.153 0.00 0.00 WAT1 ATOM 4304 H1 TIP3 775 14.781 -12.164 27.519 0.00 0.00 WAT1 ATOM 4305 H2 TIP3 775 16.067 -11.610 26.942 0.00 0.00 WAT1 ATOM 4306 OH2 TIP3 776 -0.094 -13.984 30.630 0.00 0.00 WAT1 ATOM 4307 H1 TIP3 776 0.825 -14.106 30.866 0.00 0.00 WAT1 ATOM 4308 H2 TIP3 776 -0.544 -14.734 31.019 0.00 0.00 WAT1 ATOM 4309 OH2 TIP3 777 1.127 -15.672 23.521 0.00 0.00 WAT1 ATOM 4310 H1 TIP3 777 1.572 -16.464 23.823 0.00 0.00 WAT1 ATOM 4311 H2 TIP3 777 1.593 -14.956 23.952 0.00 0.00 WAT1 ATOM 4312 OH2 TIP3 778 -0.569 -12.673 24.590 0.00 0.00 WAT1 ATOM 4313 H1 TIP3 778 -0.077 -12.894 23.800 0.00 0.00 WAT1 ATOM 4314 H2 TIP3 778 -0.207 -11.832 24.871 0.00 0.00 WAT1 ATOM 4315 OH2 TIP3 779 2.882 -16.456 15.066 0.00 0.00 WAT1 ATOM 4316 H1 TIP3 779 3.373 -17.086 14.538 0.00 0.00 WAT1 ATOM 4317 H2 TIP3 779 3.505 -16.160 15.729 0.00 0.00 WAT1 ATOM 4318 OH2 TIP3 780 4.881 -14.831 41.059 0.00 0.00 WAT1 ATOM 4319 H1 TIP3 780 4.924 -13.971 40.641 0.00 0.00 WAT1 ATOM 4320 H2 TIP3 780 4.423 -15.383 40.426 0.00 0.00 WAT1 ATOM 4321 OH2 TIP3 781 12.603 -14.700 39.460 0.00 0.00 WAT1 ATOM 4322 H1 TIP3 781 13.249 -15.029 40.085 0.00 0.00 WAT1 ATOM 4323 H2 TIP3 781 13.113 -14.182 38.837 0.00 0.00 WAT1 ATOM 4324 OH2 TIP3 782 14.367 -15.409 41.441 0.00 0.00 WAT1 ATOM 4325 H1 TIP3 782 14.152 -16.175 41.973 0.00 0.00 WAT1 ATOM 4326 H2 TIP3 782 15.023 -14.937 41.954 0.00 0.00 WAT1 ATOM 4327 OH2 TIP3 783 7.717 -18.607 42.586 0.00 0.00 WAT1 ATOM 4328 H1 TIP3 783 7.600 -19.556 42.532 0.00 0.00 WAT1 ATOM 4329 H2 TIP3 783 6.862 -18.275 42.859 0.00 0.00 WAT1 ATOM 4330 OH2 TIP3 784 10.038 -11.312 34.125 0.00 0.00 WAT1 ATOM 4331 H1 TIP3 784 10.739 -11.290 34.776 0.00 0.00 WAT1 ATOM 4332 H2 TIP3 784 10.340 -11.940 33.469 0.00 0.00 WAT1 ATOM 4333 OH2 TIP3 785 13.390 -9.560 38.038 0.00 0.00 WAT1 ATOM 4334 H1 TIP3 785 12.658 -9.332 38.611 0.00 0.00 WAT1 ATOM 4335 H2 TIP3 785 13.837 -10.274 38.493 0.00 0.00 WAT1 ATOM 4336 OH2 TIP3 786 12.261 -10.398 35.723 0.00 0.00 WAT1 ATOM 4337 H1 TIP3 786 12.840 -10.248 36.470 0.00 0.00 WAT1 ATOM 4338 H2 TIP3 786 12.675 -9.927 35.000 0.00 0.00 WAT1 ATOM 4339 OH2 TIP3 787 13.738 -9.365 33.353 0.00 0.00 WAT1 ATOM 4340 H1 TIP3 787 13.780 -9.588 32.423 0.00 0.00 WAT1 ATOM 4341 H2 TIP3 787 14.587 -8.967 33.543 0.00 0.00 WAT1 ATOM 4342 OH2 TIP3 788 10.610 -12.101 38.188 0.00 0.00 WAT1 ATOM 4343 H1 TIP3 788 10.201 -11.286 37.896 0.00 0.00 WAT1 ATOM 4344 H2 TIP3 788 11.330 -12.241 37.573 0.00 0.00 WAT1 ATOM 4345 OH2 TIP3 789 -0.565 -15.302 40.176 0.00 0.00 WAT1 ATOM 4346 H1 TIP3 789 0.066 -15.331 40.896 0.00 0.00 WAT1 ATOM 4347 H2 TIP3 789 -0.115 -15.727 39.446 0.00 0.00 WAT1 ATOM 4348 OH2 TIP3 790 0.710 -14.556 35.600 0.00 0.00 WAT1 ATOM 4349 H1 TIP3 790 1.184 -13.965 35.015 0.00 0.00 WAT1 ATOM 4350 H2 TIP3 790 -0.008 -14.025 35.947 0.00 0.00 WAT1 ATOM 4351 OH2 TIP3 791 7.656 -15.090 40.457 0.00 0.00 WAT1 ATOM 4352 H1 TIP3 791 6.745 -15.033 40.746 0.00 0.00 WAT1 ATOM 4353 H2 TIP3 791 8.161 -15.150 41.268 0.00 0.00 WAT1 ATOM 4354 OH2 TIP3 792 6.137 -13.461 36.940 0.00 0.00 WAT1 ATOM 4355 H1 TIP3 792 7.069 -13.332 37.118 0.00 0.00 WAT1 ATOM 4356 H2 TIP3 792 5.922 -12.791 36.291 0.00 0.00 WAT1 ATOM 4357 OH2 TIP3 793 4.811 -12.266 34.507 0.00 0.00 WAT1 ATOM 4358 H1 TIP3 793 4.269 -12.646 33.816 0.00 0.00 WAT1 ATOM 4359 H2 TIP3 793 5.645 -12.072 34.078 0.00 0.00 WAT1 ATOM 4360 OH2 TIP3 794 3.978 -16.166 38.762 0.00 0.00 WAT1 ATOM 4361 H1 TIP3 794 3.661 -17.068 38.727 0.00 0.00 WAT1 ATOM 4362 H2 TIP3 794 4.759 -16.164 38.210 0.00 0.00 WAT1 ATOM 4363 OH2 TIP3 795 12.762 -13.020 36.303 0.00 0.00 WAT1 ATOM 4364 H1 TIP3 795 13.654 -13.157 36.622 0.00 0.00 WAT1 ATOM 4365 H2 TIP3 795 12.819 -12.229 35.766 0.00 0.00 WAT1 ATOM 4366 OH2 TIP3 796 1.401 -10.026 34.204 0.00 0.00 WAT1 ATOM 4367 H1 TIP3 796 2.017 -9.399 34.583 0.00 0.00 WAT1 ATOM 4368 H2 TIP3 796 0.539 -9.710 34.475 0.00 0.00 WAT1 ATOM 4369 OH2 TIP3 797 11.432 -15.799 37.072 0.00 0.00 WAT1 ATOM 4370 H1 TIP3 797 11.652 -15.327 36.269 0.00 0.00 WAT1 ATOM 4371 H2 TIP3 797 11.990 -15.404 37.743 0.00 0.00 WAT1 ATOM 4372 OH2 TIP3 798 8.632 -14.071 37.907 0.00 0.00 WAT1 ATOM 4373 H1 TIP3 798 9.444 -13.567 37.953 0.00 0.00 WAT1 ATOM 4374 H2 TIP3 798 8.387 -14.216 38.821 0.00 0.00 WAT1 ATOM 4375 OH2 TIP3 799 9.516 -16.990 38.845 0.00 0.00 WAT1 ATOM 4376 H1 TIP3 799 9.169 -16.372 39.490 0.00 0.00 WAT1 ATOM 4377 H2 TIP3 799 10.174 -16.489 38.364 0.00 0.00 WAT1 ATOM 4378 OH2 TIP3 800 1.748 -12.835 33.709 0.00 0.00 WAT1 ATOM 4379 H1 TIP3 800 1.703 -11.896 33.888 0.00 0.00 WAT1 ATOM 4380 H2 TIP3 800 0.860 -13.071 33.439 0.00 0.00 WAT1 ATOM 4381 OH2 TIP3 801 2.556 -18.053 42.382 0.00 0.00 WAT1 ATOM 4382 H1 TIP3 801 2.327 -17.994 41.455 0.00 0.00 WAT1 ATOM 4383 H2 TIP3 801 2.113 -18.845 42.689 0.00 0.00 WAT1 ATOM 4384 OH2 TIP3 802 5.023 -7.346 32.959 0.00 0.00 WAT1 ATOM 4385 H1 TIP3 802 5.087 -8.140 33.490 0.00 0.00 WAT1 ATOM 4386 H2 TIP3 802 5.676 -7.465 32.270 0.00 0.00 WAT1 ATOM 4387 OH2 TIP3 803 6.172 -9.374 35.265 0.00 0.00 WAT1 ATOM 4388 H1 TIP3 803 5.713 -9.858 35.951 0.00 0.00 WAT1 ATOM 4389 H2 TIP3 803 6.427 -10.042 34.629 0.00 0.00 WAT1 ATOM 4390 OH2 TIP3 804 7.243 -11.131 33.528 0.00 0.00 WAT1 ATOM 4391 H1 TIP3 804 7.063 -11.285 32.600 0.00 0.00 WAT1 ATOM 4392 H2 TIP3 804 8.194 -11.023 33.572 0.00 0.00 WAT1 ATOM 4393 OH2 TIP3 805 16.633 -8.776 32.973 0.00 0.00 WAT1 ATOM 4394 H1 TIP3 805 16.360 -9.201 32.160 0.00 0.00 WAT1 ATOM 4395 H2 TIP3 805 16.673 -7.845 32.756 0.00 0.00 WAT1 ATOM 4396 OH2 TIP3 806 17.092 -7.907 36.948 0.00 0.00 WAT1 ATOM 4397 H1 TIP3 806 17.942 -7.486 37.076 0.00 0.00 WAT1 ATOM 4398 H2 TIP3 806 17.097 -8.647 37.556 0.00 0.00 WAT1 ATOM 4399 OH2 TIP3 807 17.486 -9.854 38.772 0.00 0.00 WAT1 ATOM 4400 H1 TIP3 807 16.760 -10.333 39.170 0.00 0.00 WAT1 ATOM 4401 H2 TIP3 807 18.067 -9.648 39.504 0.00 0.00 WAT1 ATOM 4402 OH2 TIP3 808 17.754 -9.953 35.163 0.00 0.00 WAT1 ATOM 4403 H1 TIP3 808 17.233 -9.596 34.444 0.00 0.00 WAT1 ATOM 4404 H2 TIP3 808 17.721 -9.278 35.841 0.00 0.00 WAT1 ATOM 4405 OH2 TIP3 809 15.273 -11.333 39.335 0.00 0.00 WAT1 ATOM 4406 H1 TIP3 809 15.123 -12.278 39.315 0.00 0.00 WAT1 ATOM 4407 H2 TIP3 809 14.919 -11.052 40.179 0.00 0.00 WAT1 ATOM 4408 OH2 TIP3 810 14.983 -13.750 37.797 0.00 0.00 WAT1 ATOM 4409 H1 TIP3 810 15.263 -14.657 37.922 0.00 0.00 WAT1 ATOM 4410 H2 TIP3 810 15.742 -13.316 37.408 0.00 0.00 WAT1 ATOM 4411 OH2 TIP3 811 -0.256 -16.415 37.501 0.00 0.00 WAT1 ATOM 4412 H1 TIP3 811 -1.181 -16.206 37.371 0.00 0.00 WAT1 ATOM 4413 H2 TIP3 811 0.198 -15.931 36.811 0.00 0.00 WAT1 ATOM 4414 OH2 TIP3 812 9.858 -16.804 41.854 0.00 0.00 WAT1 ATOM 4415 H1 TIP3 812 9.183 -17.433 42.109 0.00 0.00 WAT1 ATOM 4416 H2 TIP3 812 10.422 -17.288 41.251 0.00 0.00 WAT1 ATOM 4417 OH2 TIP3 813 15.000 -18.697 41.966 0.00 0.00 WAT1 ATOM 4418 H1 TIP3 813 15.604 -18.149 41.465 0.00 0.00 WAT1 ATOM 4419 H2 TIP3 813 14.131 -18.377 41.726 0.00 0.00 WAT1 ATOM 4420 OH2 TIP3 814 16.727 -17.558 40.300 0.00 0.00 WAT1 ATOM 4421 H1 TIP3 814 17.339 -18.072 39.773 0.00 0.00 WAT1 ATOM 4422 H2 TIP3 814 17.110 -16.680 40.323 0.00 0.00 WAT1 ATOM 4423 OH2 TIP3 815 2.184 -18.170 39.676 0.00 0.00 WAT1 ATOM 4424 H1 TIP3 815 1.407 -18.404 39.168 0.00 0.00 WAT1 ATOM 4425 H2 TIP3 815 2.715 -18.967 39.684 0.00 0.00 WAT1 ATOM 4426 OH2 TIP3 816 6.764 -18.243 39.489 0.00 0.00 WAT1 ATOM 4427 H1 TIP3 816 7.638 -17.855 39.459 0.00 0.00 WAT1 ATOM 4428 H2 TIP3 816 6.628 -18.458 40.412 0.00 0.00 WAT1 ATOM 4429 OH2 TIP3 817 12.321 -18.213 41.138 0.00 0.00 WAT1 ATOM 4430 H1 TIP3 817 12.397 -18.118 40.189 0.00 0.00 WAT1 ATOM 4431 H2 TIP3 817 12.045 -19.121 41.267 0.00 0.00 WAT1 ATOM 4432 OH2 TIP3 818 23.377 -41.402 11.323 0.00 0.00 WAT1 ATOM 4433 H1 TIP3 818 23.385 -41.538 10.375 0.00 0.00 WAT1 ATOM 4434 H2 TIP3 818 22.461 -41.520 11.575 0.00 0.00 WAT1 ATOM 4435 OH2 TIP3 819 21.802 -45.421 11.894 0.00 0.00 WAT1 ATOM 4436 H1 TIP3 819 22.535 -45.167 12.455 0.00 0.00 WAT1 ATOM 4437 H2 TIP3 819 21.022 -45.217 12.409 0.00 0.00 WAT1 ATOM 4438 OH2 TIP3 820 19.631 -39.212 12.161 0.00 0.00 WAT1 ATOM 4439 H1 TIP3 820 20.171 -39.429 12.920 0.00 0.00 WAT1 ATOM 4440 H2 TIP3 820 19.150 -40.018 11.971 0.00 0.00 WAT1 ATOM 4441 OH2 TIP3 821 24.228 -40.293 13.781 0.00 0.00 WAT1 ATOM 4442 H1 TIP3 821 24.996 -40.752 14.122 0.00 0.00 WAT1 ATOM 4443 H2 TIP3 821 24.207 -40.519 12.851 0.00 0.00 WAT1 ATOM 4444 OH2 TIP3 822 19.538 -45.402 13.115 0.00 0.00 WAT1 ATOM 4445 H1 TIP3 822 19.682 -46.304 12.829 0.00 0.00 WAT1 ATOM 4446 H2 TIP3 822 18.765 -45.116 12.627 0.00 0.00 WAT1 ATOM 4447 OH2 TIP3 823 20.756 -42.214 12.277 0.00 0.00 WAT1 ATOM 4448 H1 TIP3 823 19.935 -42.039 11.817 0.00 0.00 WAT1 ATOM 4449 H2 TIP3 823 20.504 -42.287 13.198 0.00 0.00 WAT1 ATOM 4450 OH2 TIP3 824 21.112 -37.983 8.583 0.00 0.00 WAT1 ATOM 4451 H1 TIP3 824 20.392 -37.543 8.132 0.00 0.00 WAT1 ATOM 4452 H2 TIP3 824 20.746 -38.234 9.432 0.00 0.00 WAT1 ATOM 4453 OH2 TIP3 825 21.420 -47.856 25.790 0.00 0.00 WAT1 ATOM 4454 H1 TIP3 825 21.462 -48.482 26.514 0.00 0.00 WAT1 ATOM 4455 H2 TIP3 825 22.123 -47.233 25.972 0.00 0.00 WAT1 ATOM 4456 OH2 TIP3 826 19.664 -47.584 21.844 0.00 0.00 WAT1 ATOM 4457 H1 TIP3 826 19.878 -48.354 22.371 0.00 0.00 WAT1 ATOM 4458 H2 TIP3 826 20.402 -47.495 21.241 0.00 0.00 WAT1 ATOM 4459 OH2 TIP3 827 29.869 -39.427 22.711 0.00 0.00 WAT1 ATOM 4460 H1 TIP3 827 30.489 -40.104 22.438 0.00 0.00 WAT1 ATOM 4461 H2 TIP3 827 29.661 -39.645 23.619 0.00 0.00 WAT1 ATOM 4462 OH2 TIP3 828 27.441 -45.038 24.603 0.00 0.00 WAT1 ATOM 4463 H1 TIP3 828 27.745 -45.724 24.009 0.00 0.00 WAT1 ATOM 4464 H2 TIP3 828 28.163 -44.920 25.221 0.00 0.00 WAT1 ATOM 4465 OH2 TIP3 829 25.116 -45.949 26.565 0.00 0.00 WAT1 ATOM 4466 H1 TIP3 829 24.376 -45.351 26.668 0.00 0.00 WAT1 ATOM 4467 H2 TIP3 829 25.830 -45.395 26.249 0.00 0.00 WAT1 ATOM 4468 OH2 TIP3 830 19.645 -44.314 18.134 0.00 0.00 WAT1 ATOM 4469 H1 TIP3 830 19.373 -44.085 17.245 0.00 0.00 WAT1 ATOM 4470 H2 TIP3 830 19.690 -43.476 18.594 0.00 0.00 WAT1 ATOM 4471 OH2 TIP3 831 23.891 -46.642 21.065 0.00 0.00 WAT1 ATOM 4472 H1 TIP3 831 23.561 -47.012 20.246 0.00 0.00 WAT1 ATOM 4473 H2 TIP3 831 24.479 -47.312 21.411 0.00 0.00 WAT1 ATOM 4474 OH2 TIP3 832 24.258 -47.873 24.698 0.00 0.00 WAT1 ATOM 4475 H1 TIP3 832 24.823 -47.752 23.935 0.00 0.00 WAT1 ATOM 4476 H2 TIP3 832 24.577 -47.236 25.337 0.00 0.00 WAT1 ATOM 4477 OH2 TIP3 833 30.567 -42.370 25.432 0.00 0.00 WAT1 ATOM 4478 H1 TIP3 833 30.326 -41.708 26.080 0.00 0.00 WAT1 ATOM 4479 H2 TIP3 833 30.369 -43.204 25.857 0.00 0.00 WAT1 ATOM 4480 OH2 TIP3 834 28.843 -41.373 20.302 0.00 0.00 WAT1 ATOM 4481 H1 TIP3 834 29.317 -41.078 21.080 0.00 0.00 WAT1 ATOM 4482 H2 TIP3 834 28.280 -40.635 20.069 0.00 0.00 WAT1 ATOM 4483 OH2 TIP3 835 22.881 -47.572 18.654 0.00 0.00 WAT1 ATOM 4484 H1 TIP3 835 22.589 -46.804 18.163 0.00 0.00 WAT1 ATOM 4485 H2 TIP3 835 22.207 -48.232 18.491 0.00 0.00 WAT1 ATOM 4486 OH2 TIP3 836 27.901 -42.189 28.911 0.00 0.00 WAT1 ATOM 4487 H1 TIP3 836 27.988 -41.363 29.386 0.00 0.00 WAT1 ATOM 4488 H2 TIP3 836 27.037 -42.519 29.160 0.00 0.00 WAT1 ATOM 4489 OH2 TIP3 837 28.315 -38.417 18.717 0.00 0.00 WAT1 ATOM 4490 H1 TIP3 837 28.240 -38.538 17.771 0.00 0.00 WAT1 ATOM 4491 H2 TIP3 837 28.348 -37.467 18.836 0.00 0.00 WAT1 ATOM 4492 OH2 TIP3 838 23.933 -50.450 25.603 0.00 0.00 WAT1 ATOM 4493 H1 TIP3 838 23.291 -50.491 26.312 0.00 0.00 WAT1 ATOM 4494 H2 TIP3 838 23.970 -49.524 25.365 0.00 0.00 WAT1 ATOM 4495 OH2 TIP3 839 21.683 -50.130 27.470 0.00 0.00 WAT1 ATOM 4496 H1 TIP3 839 21.645 -49.730 28.338 0.00 0.00 WAT1 ATOM 4497 H2 TIP3 839 21.192 -50.947 27.560 0.00 0.00 WAT1 ATOM 4498 OH2 TIP3 840 27.002 -45.413 17.587 0.00 0.00 WAT1 ATOM 4499 H1 TIP3 840 26.258 -45.920 17.264 0.00 0.00 WAT1 ATOM 4500 H2 TIP3 840 26.868 -45.364 18.533 0.00 0.00 WAT1 ATOM 4501 OH2 TIP3 841 28.522 -45.229 28.824 0.00 0.00 WAT1 ATOM 4502 H1 TIP3 841 28.176 -45.610 29.630 0.00 0.00 WAT1 ATOM 4503 H2 TIP3 841 28.322 -44.295 28.895 0.00 0.00 WAT1 ATOM 4504 OH2 TIP3 842 22.127 -46.118 23.356 0.00 0.00 WAT1 ATOM 4505 H1 TIP3 842 22.872 -46.120 22.755 0.00 0.00 WAT1 ATOM 4506 H2 TIP3 842 22.205 -46.942 23.838 0.00 0.00 WAT1 ATOM 4507 OH2 TIP3 843 19.135 -47.657 28.671 0.00 0.00 WAT1 ATOM 4508 H1 TIP3 843 19.358 -48.075 29.503 0.00 0.00 WAT1 ATOM 4509 H2 TIP3 843 18.533 -48.270 28.249 0.00 0.00 WAT1 ATOM 4510 OH2 TIP3 844 26.152 -48.140 30.884 0.00 0.00 WAT1 ATOM 4511 H1 TIP3 844 25.856 -48.306 29.989 0.00 0.00 WAT1 ATOM 4512 H2 TIP3 844 27.083 -48.360 30.874 0.00 0.00 WAT1 ATOM 4513 OH2 TIP3 845 25.929 -44.937 20.337 0.00 0.00 WAT1 ATOM 4514 H1 TIP3 845 25.688 -44.012 20.379 0.00 0.00 WAT1 ATOM 4515 H2 TIP3 845 25.189 -45.396 20.733 0.00 0.00 WAT1 ATOM 4516 OH2 TIP3 846 26.444 -40.788 26.652 0.00 0.00 WAT1 ATOM 4517 H1 TIP3 846 26.807 -39.933 26.419 0.00 0.00 WAT1 ATOM 4518 H2 TIP3 846 26.976 -41.080 27.393 0.00 0.00 WAT1 ATOM 4519 OH2 TIP3 847 26.282 -42.648 13.874 0.00 0.00 WAT1 ATOM 4520 H1 TIP3 847 26.521 -43.396 13.326 0.00 0.00 WAT1 ATOM 4521 H2 TIP3 847 26.013 -43.036 14.706 0.00 0.00 WAT1 ATOM 4522 OH2 TIP3 848 25.219 -43.078 16.330 0.00 0.00 WAT1 ATOM 4523 H1 TIP3 848 25.366 -43.598 17.120 0.00 0.00 WAT1 ATOM 4524 H2 TIP3 848 25.216 -42.171 16.636 0.00 0.00 WAT1 ATOM 4525 OH2 TIP3 849 21.672 -45.825 16.840 0.00 0.00 WAT1 ATOM 4526 H1 TIP3 849 20.986 -45.473 17.407 0.00 0.00 WAT1 ATOM 4527 H2 TIP3 849 22.195 -45.062 16.594 0.00 0.00 WAT1 ATOM 4528 OH2 TIP3 850 27.957 -41.380 17.079 0.00 0.00 WAT1 ATOM 4529 H1 TIP3 850 27.140 -40.883 17.132 0.00 0.00 WAT1 ATOM 4530 H2 TIP3 850 28.486 -40.905 16.439 0.00 0.00 WAT1 ATOM 4531 OH2 TIP3 851 22.288 -43.211 15.737 0.00 0.00 WAT1 ATOM 4532 H1 TIP3 851 22.880 -42.512 16.013 0.00 0.00 WAT1 ATOM 4533 H2 TIP3 851 22.747 -43.644 15.018 0.00 0.00 WAT1 ATOM 4534 OH2 TIP3 852 24.228 -40.293 32.637 0.00 0.00 WAT1 ATOM 4535 H1 TIP3 852 24.996 -40.752 32.978 0.00 0.00 WAT1 ATOM 4536 H2 TIP3 852 24.207 -40.519 31.707 0.00 0.00 WAT1 ATOM 4537 OH2 TIP3 853 28.320 -40.785 14.012 0.00 0.00 WAT1 ATOM 4538 H1 TIP3 853 27.676 -41.416 14.334 0.00 0.00 WAT1 ATOM 4539 H2 TIP3 853 29.082 -41.316 13.780 0.00 0.00 WAT1 ATOM 4540 OH2 TIP3 854 23.879 -45.058 14.103 0.00 0.00 WAT1 ATOM 4541 H1 TIP3 854 23.943 -45.852 14.634 0.00 0.00 WAT1 ATOM 4542 H2 TIP3 854 24.532 -45.177 13.414 0.00 0.00 WAT1 ATOM 4543 OH2 TIP3 855 26.193 -45.432 31.404 0.00 0.00 WAT1 ATOM 4544 H1 TIP3 855 25.865 -45.161 30.546 0.00 0.00 WAT1 ATOM 4545 H2 TIP3 855 26.345 -46.373 31.316 0.00 0.00 WAT1 ATOM 4546 OH2 TIP3 856 20.370 -48.202 31.391 0.00 0.00 WAT1 ATOM 4547 H1 TIP3 856 20.778 -49.059 31.270 0.00 0.00 WAT1 ATOM 4548 H2 TIP3 856 20.110 -48.187 32.312 0.00 0.00 WAT1 ATOM 4549 OH2 TIP3 857 24.317 -49.193 28.765 0.00 0.00 WAT1 ATOM 4550 H1 TIP3 857 23.699 -48.518 29.046 0.00 0.00 WAT1 ATOM 4551 H2 TIP3 857 24.661 -48.872 27.932 0.00 0.00 WAT1 ATOM 4552 OH2 TIP3 858 26.651 -48.029 27.580 0.00 0.00 WAT1 ATOM 4553 H1 TIP3 858 27.402 -48.185 27.007 0.00 0.00 WAT1 ATOM 4554 H2 TIP3 858 26.312 -47.177 27.304 0.00 0.00 WAT1 ATOM 4555 OH2 TIP3 859 25.997 -38.152 15.673 0.00 0.00 WAT1 ATOM 4556 H1 TIP3 859 26.930 -37.994 15.817 0.00 0.00 WAT1 ATOM 4557 H2 TIP3 859 25.733 -37.477 15.048 0.00 0.00 WAT1 ATOM 4558 OH2 TIP3 860 19.565 -43.516 15.156 0.00 0.00 WAT1 ATOM 4559 H1 TIP3 860 20.479 -43.437 15.429 0.00 0.00 WAT1 ATOM 4560 H2 TIP3 860 19.572 -44.203 14.489 0.00 0.00 WAT1 ATOM 4561 OH2 TIP3 861 19.164 -46.967 24.489 0.00 0.00 WAT1 ATOM 4562 H1 TIP3 861 19.348 -47.049 23.554 0.00 0.00 WAT1 ATOM 4563 H2 TIP3 861 20.013 -47.091 24.913 0.00 0.00 WAT1 ATOM 4564 OH2 TIP3 862 18.762 -51.696 30.630 0.00 0.00 WAT1 ATOM 4565 H1 TIP3 862 19.681 -51.818 30.866 0.00 0.00 WAT1 ATOM 4566 H2 TIP3 862 18.312 -52.446 31.019 0.00 0.00 WAT1 ATOM 4567 OH2 TIP3 863 18.287 -50.385 24.590 0.00 0.00 WAT1 ATOM 4568 H1 TIP3 863 18.779 -50.606 23.800 0.00 0.00 WAT1 ATOM 4569 H2 TIP3 863 18.649 -49.544 24.871 0.00 0.00 WAT1 ATOM 4570 OH2 TIP3 864 28.021 -39.840 30.351 0.00 0.00 WAT1 ATOM 4571 H1 TIP3 864 28.206 -40.174 31.229 0.00 0.00 WAT1 ATOM 4572 H2 TIP3 864 28.868 -39.531 30.029 0.00 0.00 WAT1 ATOM 4573 OH2 TIP3 865 28.290 -38.495 25.645 0.00 0.00 WAT1 ATOM 4574 H1 TIP3 865 27.833 -37.966 24.991 0.00 0.00 WAT1 ATOM 4575 H2 TIP3 865 28.453 -37.892 26.370 0.00 0.00 WAT1 ATOM 4576 OH2 TIP3 866 28.642 -38.926 15.918 0.00 0.00 WAT1 ATOM 4577 H1 TIP3 866 29.508 -38.560 15.740 0.00 0.00 WAT1 ATOM 4578 H2 TIP3 866 28.395 -39.366 15.105 0.00 0.00 WAT1 ATOM 4579 OH2 TIP3 867 21.420 -47.856 44.646 0.00 0.00 WAT1 ATOM 4580 H1 TIP3 867 21.462 -48.482 45.370 0.00 0.00 WAT1 ATOM 4581 H2 TIP3 867 22.123 -47.233 44.828 0.00 0.00 WAT1 ATOM 4582 OH2 TIP3 868 18.954 -49.746 38.574 0.00 0.00 WAT1 ATOM 4583 H1 TIP3 868 18.506 -48.900 38.556 0.00 0.00 WAT1 ATOM 4584 H2 TIP3 868 18.393 -50.326 38.059 0.00 0.00 WAT1 ATOM 4585 OH2 TIP3 869 19.664 -47.584 40.700 0.00 0.00 WAT1 ATOM 4586 H1 TIP3 869 19.878 -48.354 41.227 0.00 0.00 WAT1 ATOM 4587 H2 TIP3 869 20.402 -47.495 40.097 0.00 0.00 WAT1 ATOM 4588 OH2 TIP3 870 29.869 -39.427 41.567 0.00 0.00 WAT1 ATOM 4589 H1 TIP3 870 30.489 -40.104 41.294 0.00 0.00 WAT1 ATOM 4590 H2 TIP3 870 29.661 -39.645 42.475 0.00 0.00 WAT1 ATOM 4591 OH2 TIP3 871 20.357 -50.146 41.821 0.00 0.00 WAT1 ATOM 4592 H1 TIP3 871 21.011 -50.696 42.253 0.00 0.00 WAT1 ATOM 4593 H2 TIP3 871 20.381 -50.420 40.905 0.00 0.00 WAT1 ATOM 4594 OH2 TIP3 872 25.116 -45.949 45.421 0.00 0.00 WAT1 ATOM 4595 H1 TIP3 872 24.376 -45.351 45.524 0.00 0.00 WAT1 ATOM 4596 H2 TIP3 872 25.830 -45.395 45.105 0.00 0.00 WAT1 ATOM 4597 OH2 TIP3 873 23.524 -43.985 46.208 0.00 0.00 WAT1 ATOM 4598 H1 TIP3 873 23.518 -43.106 45.830 0.00 0.00 WAT1 ATOM 4599 H2 TIP3 873 22.670 -44.068 46.633 0.00 0.00 WAT1 ATOM 4600 OH2 TIP3 874 23.891 -46.642 39.921 0.00 0.00 WAT1 ATOM 4601 H1 TIP3 874 23.561 -47.012 39.102 0.00 0.00 WAT1 ATOM 4602 H2 TIP3 874 24.479 -47.312 40.267 0.00 0.00 WAT1 ATOM 4603 OH2 TIP3 875 25.258 -43.214 42.602 0.00 0.00 WAT1 ATOM 4604 H1 TIP3 875 25.163 -43.792 41.845 0.00 0.00 WAT1 ATOM 4605 H2 TIP3 875 25.987 -43.585 43.098 0.00 0.00 WAT1 ATOM 4606 OH2 TIP3 876 25.138 -43.474 48.271 0.00 0.00 WAT1 ATOM 4607 H1 TIP3 876 24.826 -42.692 48.727 0.00 0.00 WAT1 ATOM 4608 H2 TIP3 876 24.488 -43.627 47.585 0.00 0.00 WAT1 ATOM 4609 OH2 TIP3 877 23.377 -41.402 49.035 0.00 0.00 WAT1 ATOM 4610 H1 TIP3 877 23.385 -41.538 48.087 0.00 0.00 WAT1 ATOM 4611 H2 TIP3 877 22.461 -41.520 49.287 0.00 0.00 WAT1 ATOM 4612 OH2 TIP3 878 22.881 -47.572 37.510 0.00 0.00 WAT1 ATOM 4613 H1 TIP3 878 22.589 -46.804 37.019 0.00 0.00 WAT1 ATOM 4614 H2 TIP3 878 22.207 -48.232 37.347 0.00 0.00 WAT1 ATOM 4615 OH2 TIP3 879 18.974 -45.209 46.325 0.00 0.00 WAT1 ATOM 4616 H1 TIP3 879 18.473 -45.237 45.510 0.00 0.00 WAT1 ATOM 4617 H2 TIP3 879 18.980 -46.115 46.635 0.00 0.00 WAT1 ATOM 4618 OH2 TIP3 880 27.901 -42.189 47.767 0.00 0.00 WAT1 ATOM 4619 H1 TIP3 880 27.988 -41.363 48.242 0.00 0.00 WAT1 ATOM 4620 H2 TIP3 880 27.037 -42.519 48.016 0.00 0.00 WAT1 ATOM 4621 OH2 TIP3 881 21.223 -43.886 47.368 0.00 0.00 WAT1 ATOM 4622 H1 TIP3 881 21.440 -44.247 48.228 0.00 0.00 WAT1 ATOM 4623 H2 TIP3 881 20.368 -44.260 47.158 0.00 0.00 WAT1 ATOM 4624 OH2 TIP3 882 23.930 -50.229 39.371 0.00 0.00 WAT1 ATOM 4625 H1 TIP3 882 23.037 -50.570 39.312 0.00 0.00 WAT1 ATOM 4626 H2 TIP3 882 24.381 -50.606 38.615 0.00 0.00 WAT1 ATOM 4627 OH2 TIP3 883 21.340 -51.173 39.284 0.00 0.00 WAT1 ATOM 4628 H1 TIP3 883 20.451 -51.073 38.944 0.00 0.00 WAT1 ATOM 4629 H2 TIP3 883 21.636 -52.015 38.938 0.00 0.00 WAT1 ATOM 4630 OH2 TIP3 884 23.667 -49.978 34.507 0.00 0.00 WAT1 ATOM 4631 H1 TIP3 884 23.125 -50.358 33.816 0.00 0.00 WAT1 ATOM 4632 H2 TIP3 884 24.501 -49.784 34.078 0.00 0.00 WAT1 ATOM 4633 OH2 TIP3 885 27.002 -45.413 36.443 0.00 0.00 WAT1 ATOM 4634 H1 TIP3 885 26.258 -45.920 36.120 0.00 0.00 WAT1 ATOM 4635 H2 TIP3 885 26.868 -45.364 37.389 0.00 0.00 WAT1 ATOM 4636 OH2 TIP3 886 22.127 -46.118 42.212 0.00 0.00 WAT1 ATOM 4637 H1 TIP3 886 22.872 -46.120 41.611 0.00 0.00 WAT1 ATOM 4638 H2 TIP3 886 22.205 -46.942 42.694 0.00 0.00 WAT1 ATOM 4639 OH2 TIP3 887 24.502 -42.600 39.617 0.00 0.00 WAT1 ATOM 4640 H1 TIP3 887 25.029 -41.827 39.416 0.00 0.00 WAT1 ATOM 4641 H2 TIP3 887 23.622 -42.375 39.315 0.00 0.00 WAT1 ATOM 4642 OH2 TIP3 888 20.257 -47.738 34.204 0.00 0.00 WAT1 ATOM 4643 H1 TIP3 888 20.873 -47.111 34.583 0.00 0.00 WAT1 ATOM 4644 H2 TIP3 888 19.395 -47.422 34.475 0.00 0.00 WAT1 ATOM 4645 OH2 TIP3 889 25.929 -44.937 39.193 0.00 0.00 WAT1 ATOM 4646 H1 TIP3 889 25.688 -44.012 39.235 0.00 0.00 WAT1 ATOM 4647 H2 TIP3 889 25.189 -45.396 39.589 0.00 0.00 WAT1 ATOM 4648 OH2 TIP3 890 26.444 -40.788 45.508 0.00 0.00 WAT1 ATOM 4649 H1 TIP3 890 26.807 -39.933 45.275 0.00 0.00 WAT1 ATOM 4650 H2 TIP3 890 26.976 -41.080 46.249 0.00 0.00 WAT1 ATOM 4651 OH2 TIP3 891 24.613 -39.915 38.738 0.00 0.00 WAT1 ATOM 4652 H1 TIP3 891 23.663 -39.810 38.790 0.00 0.00 WAT1 ATOM 4653 H2 TIP3 891 24.964 -39.095 39.083 0.00 0.00 WAT1 ATOM 4654 OH2 TIP3 892 26.282 -42.648 32.730 0.00 0.00 WAT1 ATOM 4655 H1 TIP3 892 26.521 -43.396 32.182 0.00 0.00 WAT1 ATOM 4656 H2 TIP3 892 26.013 -43.036 33.562 0.00 0.00 WAT1 ATOM 4657 OH2 TIP3 893 25.219 -43.078 35.186 0.00 0.00 WAT1 ATOM 4658 H1 TIP3 893 25.366 -43.598 35.976 0.00 0.00 WAT1 ATOM 4659 H2 TIP3 893 25.216 -42.171 35.492 0.00 0.00 WAT1 ATOM 4660 OH2 TIP3 894 27.957 -41.380 35.935 0.00 0.00 WAT1 ATOM 4661 H1 TIP3 894 27.140 -40.883 35.988 0.00 0.00 WAT1 ATOM 4662 H2 TIP3 894 28.486 -40.905 35.295 0.00 0.00 WAT1 ATOM 4663 OH2 TIP3 895 25.295 -40.337 35.917 0.00 0.00 WAT1 ATOM 4664 H1 TIP3 895 25.456 -39.537 35.416 0.00 0.00 WAT1 ATOM 4665 H2 TIP3 895 25.098 -40.030 36.802 0.00 0.00 WAT1 ATOM 4666 OH2 TIP3 896 20.604 -50.547 33.709 0.00 0.00 WAT1 ATOM 4667 H1 TIP3 896 20.559 -49.608 33.888 0.00 0.00 WAT1 ATOM 4668 H2 TIP3 896 19.716 -50.783 33.439 0.00 0.00 WAT1 ATOM 4669 OH2 TIP3 897 19.631 -39.212 49.873 0.00 0.00 WAT1 ATOM 4670 H1 TIP3 897 20.171 -39.429 50.632 0.00 0.00 WAT1 ATOM 4671 H2 TIP3 897 19.150 -40.018 49.683 0.00 0.00 WAT1 ATOM 4672 OH2 TIP3 898 24.228 -40.293 51.493 0.00 0.00 WAT1 ATOM 4673 H1 TIP3 898 24.996 -40.752 51.834 0.00 0.00 WAT1 ATOM 4674 H2 TIP3 898 24.207 -40.519 50.563 0.00 0.00 WAT1 ATOM 4675 OH2 TIP3 899 28.320 -40.785 32.868 0.00 0.00 WAT1 ATOM 4676 H1 TIP3 899 27.676 -41.416 33.190 0.00 0.00 WAT1 ATOM 4677 H2 TIP3 899 29.082 -41.316 32.636 0.00 0.00 WAT1 ATOM 4678 OH2 TIP3 900 23.879 -45.058 32.959 0.00 0.00 WAT1 ATOM 4679 H1 TIP3 900 23.943 -45.852 33.490 0.00 0.00 WAT1 ATOM 4680 H2 TIP3 900 24.532 -45.177 32.270 0.00 0.00 WAT1 ATOM 4681 OH2 TIP3 901 25.028 -47.086 35.265 0.00 0.00 WAT1 ATOM 4682 H1 TIP3 901 24.569 -47.570 35.951 0.00 0.00 WAT1 ATOM 4683 H2 TIP3 901 25.283 -47.754 34.629 0.00 0.00 WAT1 ATOM 4684 OH2 TIP3 902 25.997 -38.152 34.529 0.00 0.00 WAT1 ATOM 4685 H1 TIP3 902 26.930 -37.994 34.673 0.00 0.00 WAT1 ATOM 4686 H2 TIP3 902 25.733 -37.477 33.904 0.00 0.00 WAT1 ATOM 4687 OH2 TIP3 903 19.164 -46.967 43.345 0.00 0.00 WAT1 ATOM 4688 H1 TIP3 903 19.348 -47.049 42.410 0.00 0.00 WAT1 ATOM 4689 H2 TIP3 903 20.013 -47.091 43.769 0.00 0.00 WAT1 ATOM 4690 OH2 TIP3 904 20.756 -42.214 49.989 0.00 0.00 WAT1 ATOM 4691 H1 TIP3 904 19.935 -42.039 49.529 0.00 0.00 WAT1 ATOM 4692 H2 TIP3 904 20.504 -42.287 50.910 0.00 0.00 WAT1 ATOM 4693 OH2 TIP3 905 28.021 -39.840 49.207 0.00 0.00 WAT1 ATOM 4694 H1 TIP3 905 28.206 -40.174 50.085 0.00 0.00 WAT1 ATOM 4695 H2 TIP3 905 28.868 -39.531 48.885 0.00 0.00 WAT1 ATOM 4696 OH2 TIP3 906 28.290 -38.495 44.501 0.00 0.00 WAT1 ATOM 4697 H1 TIP3 906 27.833 -37.966 43.847 0.00 0.00 WAT1 ATOM 4698 H2 TIP3 906 28.453 -37.892 45.226 0.00 0.00 WAT1 ATOM 4699 OH2 TIP3 907 21.420 -29.000 -11.922 0.00 0.00 WAT1 ATOM 4700 H1 TIP3 907 21.462 -29.626 -11.198 0.00 0.00 WAT1 ATOM 4701 H2 TIP3 907 22.123 -28.377 -11.740 0.00 0.00 WAT1 ATOM 4702 OH2 TIP3 908 22.344 -24.550 -13.387 0.00 0.00 WAT1 ATOM 4703 H1 TIP3 908 21.974 -25.352 -13.756 0.00 0.00 WAT1 ATOM 4704 H2 TIP3 908 23.285 -24.719 -13.340 0.00 0.00 WAT1 ATOM 4705 OH2 TIP3 909 25.116 -27.093 -11.147 0.00 0.00 WAT1 ATOM 4706 H1 TIP3 909 24.376 -26.495 -11.044 0.00 0.00 WAT1 ATOM 4707 H2 TIP3 909 25.830 -26.539 -11.463 0.00 0.00 WAT1 ATOM 4708 OH2 TIP3 910 25.258 -24.358 -13.966 0.00 0.00 WAT1 ATOM 4709 H1 TIP3 910 25.163 -24.936 -14.723 0.00 0.00 WAT1 ATOM 4710 H2 TIP3 910 25.987 -24.729 -13.470 0.00 0.00 WAT1 ATOM 4711 OH2 TIP3 911 24.258 -29.017 -13.014 0.00 0.00 WAT1 ATOM 4712 H1 TIP3 911 24.823 -28.896 -13.777 0.00 0.00 WAT1 ATOM 4713 H2 TIP3 911 24.577 -28.380 -12.375 0.00 0.00 WAT1 ATOM 4714 OH2 TIP3 912 22.058 -28.420 -9.068 0.00 0.00 WAT1 ATOM 4715 H1 TIP3 912 22.128 -27.769 -8.370 0.00 0.00 WAT1 ATOM 4716 H2 TIP3 912 21.167 -28.317 -9.403 0.00 0.00 WAT1 ATOM 4717 OH2 TIP3 913 18.725 -23.573 -13.359 0.00 0.00 WAT1 ATOM 4718 H1 TIP3 913 19.671 -23.717 -13.378 0.00 0.00 WAT1 ATOM 4719 H2 TIP3 913 18.612 -22.789 -12.822 0.00 0.00 WAT1 ATOM 4720 OH2 TIP3 914 27.901 -23.333 -8.801 0.00 0.00 WAT1 ATOM 4721 H1 TIP3 914 27.988 -22.507 -8.326 0.00 0.00 WAT1 ATOM 4722 H2 TIP3 914 27.037 -23.663 -8.552 0.00 0.00 WAT1 ATOM 4723 OH2 TIP3 915 21.683 -31.274 -10.242 0.00 0.00 WAT1 ATOM 4724 H1 TIP3 915 21.645 -30.874 -9.374 0.00 0.00 WAT1 ATOM 4725 H2 TIP3 915 21.192 -32.091 -10.152 0.00 0.00 WAT1 ATOM 4726 OH2 TIP3 916 28.522 -26.373 -8.888 0.00 0.00 WAT1 ATOM 4727 H1 TIP3 916 28.176 -26.754 -8.082 0.00 0.00 WAT1 ATOM 4728 H2 TIP3 916 28.322 -25.439 -8.817 0.00 0.00 WAT1 ATOM 4729 OH2 TIP3 917 22.127 -27.262 -14.356 0.00 0.00 WAT1 ATOM 4730 H1 TIP3 917 22.872 -27.264 -14.957 0.00 0.00 WAT1 ATOM 4731 H2 TIP3 917 22.205 -28.086 -13.874 0.00 0.00 WAT1 ATOM 4732 OH2 TIP3 918 26.152 -29.284 -6.828 0.00 0.00 WAT1 ATOM 4733 H1 TIP3 918 25.856 -29.450 -7.723 0.00 0.00 WAT1 ATOM 4734 H2 TIP3 918 27.083 -29.504 -6.838 0.00 0.00 WAT1 ATOM 4735 OH2 TIP3 919 26.444 -21.932 -11.060 0.00 0.00 WAT1 ATOM 4736 H1 TIP3 919 26.807 -21.077 -11.293 0.00 0.00 WAT1 ATOM 4737 H2 TIP3 919 26.976 -22.224 -10.319 0.00 0.00 WAT1 ATOM 4738 OH2 TIP3 920 20.769 -34.048 -9.483 0.00 0.00 WAT1 ATOM 4739 H1 TIP3 920 19.876 -33.709 -9.550 0.00 0.00 WAT1 ATOM 4740 H2 TIP3 920 20.670 -34.903 -9.065 0.00 0.00 WAT1 ATOM 4741 OH2 TIP3 921 26.193 -26.576 -6.308 0.00 0.00 WAT1 ATOM 4742 H1 TIP3 921 25.865 -26.305 -7.166 0.00 0.00 WAT1 ATOM 4743 H2 TIP3 921 26.345 -27.517 -6.396 0.00 0.00 WAT1 ATOM 4744 OH2 TIP3 922 24.317 -30.337 -8.947 0.00 0.00 WAT1 ATOM 4745 H1 TIP3 922 23.699 -29.662 -8.666 0.00 0.00 WAT1 ATOM 4746 H2 TIP3 922 24.661 -30.016 -9.780 0.00 0.00 WAT1 ATOM 4747 OH2 TIP3 923 23.135 -31.784 -5.953 0.00 0.00 WAT1 ATOM 4748 H1 TIP3 923 22.368 -32.316 -6.163 0.00 0.00 WAT1 ATOM 4749 H2 TIP3 923 23.814 -32.094 -6.552 0.00 0.00 WAT1 ATOM 4750 OH2 TIP3 924 21.316 -33.863 -6.248 0.00 0.00 WAT1 ATOM 4751 H1 TIP3 924 21.527 -34.570 -6.859 0.00 0.00 WAT1 ATOM 4752 H2 TIP3 924 21.204 -34.301 -5.404 0.00 0.00 WAT1 ATOM 4753 OH2 TIP3 925 19.084 -21.186 -15.674 0.00 0.00 WAT1 ATOM 4754 H1 TIP3 925 18.750 -22.067 -15.502 0.00 0.00 WAT1 ATOM 4755 H2 TIP3 925 19.306 -20.841 -14.810 0.00 0.00 WAT1 ATOM 4756 OH2 TIP3 926 19.164 -28.111 -13.223 0.00 0.00 WAT1 ATOM 4757 H1 TIP3 926 19.348 -28.193 -14.158 0.00 0.00 WAT1 ATOM 4758 H2 TIP3 926 20.013 -28.235 -12.799 0.00 0.00 WAT1 ATOM 4759 OH2 TIP3 927 18.762 -32.840 -7.082 0.00 0.00 WAT1 ATOM 4760 H1 TIP3 927 19.681 -32.962 -6.846 0.00 0.00 WAT1 ATOM 4761 H2 TIP3 927 18.312 -33.590 -6.693 0.00 0.00 WAT1 ATOM 4762 OH2 TIP3 928 18.287 -31.529 -13.122 0.00 0.00 WAT1 ATOM 4763 H1 TIP3 928 18.779 -31.750 -13.912 0.00 0.00 WAT1 ATOM 4764 H2 TIP3 928 18.649 -30.688 -12.841 0.00 0.00 WAT1 ATOM 4765 OH2 TIP3 929 28.021 -20.984 -7.361 0.00 0.00 WAT1 ATOM 4766 H1 TIP3 929 28.206 -21.318 -6.483 0.00 0.00 WAT1 ATOM 4767 H2 TIP3 929 28.868 -20.675 -7.683 0.00 0.00 WAT1 ATOM 4768 OH2 TIP3 930 21.112 -19.127 -10.273 0.00 0.00 WAT1 ATOM 4769 H1 TIP3 930 20.392 -18.687 -10.724 0.00 0.00 WAT1 ATOM 4770 H2 TIP3 930 20.746 -19.378 -9.424 0.00 0.00 WAT1 ATOM 4771 OH2 TIP3 931 23.579 -19.527 -11.243 0.00 0.00 WAT1 ATOM 4772 H1 TIP3 931 22.714 -19.455 -10.839 0.00 0.00 WAT1 ATOM 4773 H2 TIP3 931 23.524 -18.980 -12.027 0.00 0.00 WAT1 ATOM 4774 OH2 TIP3 932 20.527 -20.504 -13.362 0.00 0.00 WAT1 ATOM 4775 H1 TIP3 932 20.508 -20.929 -12.505 0.00 0.00 WAT1 ATOM 4776 H2 TIP3 932 21.332 -20.822 -13.771 0.00 0.00 WAT1 ATOM 4777 OH2 TIP3 933 22.668 -21.794 -14.707 0.00 0.00 WAT1 ATOM 4778 H1 TIP3 933 22.449 -22.710 -14.538 0.00 0.00 WAT1 ATOM 4779 H2 TIP3 933 23.492 -21.654 -14.241 0.00 0.00 WAT1 ATOM 4780 OH2 TIP3 934 25.205 -21.324 -13.859 0.00 0.00 WAT1 ATOM 4781 H1 TIP3 934 25.418 -22.212 -14.146 0.00 0.00 WAT1 ATOM 4782 H2 TIP3 934 25.270 -21.358 -12.904 0.00 0.00 WAT1 ATOM 4783 OH2 TIP3 935 19.664 -28.728 2.988 0.00 0.00 WAT1 ATOM 4784 H1 TIP3 935 19.878 -29.498 3.515 0.00 0.00 WAT1 ATOM 4785 H2 TIP3 935 20.402 -28.639 2.385 0.00 0.00 WAT1 ATOM 4786 OH2 TIP3 936 22.547 -34.769 7.421 0.00 0.00 WAT1 ATOM 4787 H1 TIP3 936 22.328 -34.239 6.655 0.00 0.00 WAT1 ATOM 4788 H2 TIP3 936 21.879 -34.542 8.069 0.00 0.00 WAT1 ATOM 4789 OH2 TIP3 937 19.645 -25.458 -0.722 0.00 0.00 WAT1 ATOM 4790 H1 TIP3 937 19.373 -25.229 -1.611 0.00 0.00 WAT1 ATOM 4791 H2 TIP3 937 19.690 -24.620 -0.262 0.00 0.00 WAT1 ATOM 4792 OH2 TIP3 938 25.138 -24.618 10.559 0.00 0.00 WAT1 ATOM 4793 H1 TIP3 938 24.826 -23.836 11.015 0.00 0.00 WAT1 ATOM 4794 H2 TIP3 938 24.488 -24.771 9.873 0.00 0.00 WAT1 ATOM 4795 OH2 TIP3 939 22.058 -28.420 9.788 0.00 0.00 WAT1 ATOM 4796 H1 TIP3 939 22.128 -27.769 10.486 0.00 0.00 WAT1 ATOM 4797 H2 TIP3 939 21.167 -28.317 9.453 0.00 0.00 WAT1 ATOM 4798 OH2 TIP3 940 23.377 -22.546 11.323 0.00 0.00 WAT1 ATOM 4799 H1 TIP3 940 23.385 -22.682 10.375 0.00 0.00 WAT1 ATOM 4800 H2 TIP3 940 22.461 -22.664 11.575 0.00 0.00 WAT1 ATOM 4801 OH2 TIP3 941 22.881 -28.716 -0.202 0.00 0.00 WAT1 ATOM 4802 H1 TIP3 941 22.589 -27.948 -0.693 0.00 0.00 WAT1 ATOM 4803 H2 TIP3 941 22.207 -29.376 -0.365 0.00 0.00 WAT1 ATOM 4804 OH2 TIP3 942 18.974 -26.353 8.613 0.00 0.00 WAT1 ATOM 4805 H1 TIP3 942 18.473 -26.381 7.798 0.00 0.00 WAT1 ATOM 4806 H2 TIP3 942 18.980 -27.259 8.923 0.00 0.00 WAT1 ATOM 4807 OH2 TIP3 943 18.725 -23.573 5.497 0.00 0.00 WAT1 ATOM 4808 H1 TIP3 943 19.671 -23.717 5.478 0.00 0.00 WAT1 ATOM 4809 H2 TIP3 943 18.612 -22.789 6.034 0.00 0.00 WAT1 ATOM 4810 OH2 TIP3 944 21.223 -25.030 9.656 0.00 0.00 WAT1 ATOM 4811 H1 TIP3 944 21.440 -25.391 10.516 0.00 0.00 WAT1 ATOM 4812 H2 TIP3 944 20.368 -25.404 9.446 0.00 0.00 WAT1 ATOM 4813 OH2 TIP3 945 21.683 -31.274 8.614 0.00 0.00 WAT1 ATOM 4814 H1 TIP3 945 21.645 -30.874 9.482 0.00 0.00 WAT1 ATOM 4815 H2 TIP3 945 21.192 -32.091 8.704 0.00 0.00 WAT1 ATOM 4816 OH2 TIP3 946 21.802 -26.565 11.894 0.00 0.00 WAT1 ATOM 4817 H1 TIP3 946 22.535 -26.311 12.455 0.00 0.00 WAT1 ATOM 4818 H2 TIP3 946 21.022 -26.361 12.409 0.00 0.00 WAT1 ATOM 4819 OH2 TIP3 947 19.135 -28.801 9.815 0.00 0.00 WAT1 ATOM 4820 H1 TIP3 947 19.358 -29.219 10.647 0.00 0.00 WAT1 ATOM 4821 H2 TIP3 947 18.533 -29.414 9.393 0.00 0.00 WAT1 ATOM 4822 OH2 TIP3 948 20.257 -28.882 -3.508 0.00 0.00 WAT1 ATOM 4823 H1 TIP3 948 20.873 -28.255 -3.129 0.00 0.00 WAT1 ATOM 4824 H2 TIP3 948 19.395 -28.566 -3.237 0.00 0.00 WAT1 ATOM 4825 OH2 TIP3 949 20.769 -34.048 9.373 0.00 0.00 WAT1 ATOM 4826 H1 TIP3 949 19.876 -33.709 9.306 0.00 0.00 WAT1 ATOM 4827 H2 TIP3 949 20.670 -34.903 9.791 0.00 0.00 WAT1 ATOM 4828 OH2 TIP3 950 20.420 -22.243 7.808 0.00 0.00 WAT1 ATOM 4829 H1 TIP3 950 20.637 -23.175 7.777 0.00 0.00 WAT1 ATOM 4830 H2 TIP3 950 20.667 -21.969 8.692 0.00 0.00 WAT1 ATOM 4831 OH2 TIP3 951 26.282 -23.792 -4.982 0.00 0.00 WAT1 ATOM 4832 H1 TIP3 951 26.521 -24.540 -5.530 0.00 0.00 WAT1 ATOM 4833 H2 TIP3 951 26.013 -24.180 -4.150 0.00 0.00 WAT1 ATOM 4834 OH2 TIP3 952 25.219 -24.222 -2.526 0.00 0.00 WAT1 ATOM 4835 H1 TIP3 952 25.366 -24.742 -1.736 0.00 0.00 WAT1 ATOM 4836 H2 TIP3 952 25.216 -23.315 -2.220 0.00 0.00 WAT1 ATOM 4837 OH2 TIP3 953 21.672 -26.969 -2.016 0.00 0.00 WAT1 ATOM 4838 H1 TIP3 953 20.986 -26.617 -1.449 0.00 0.00 WAT1 ATOM 4839 H2 TIP3 953 22.195 -26.206 -2.262 0.00 0.00 WAT1 ATOM 4840 OH2 TIP3 954 25.295 -21.481 -1.795 0.00 0.00 WAT1 ATOM 4841 H1 TIP3 954 25.456 -20.681 -2.296 0.00 0.00 WAT1 ATOM 4842 H2 TIP3 954 25.098 -21.174 -0.910 0.00 0.00 WAT1 ATOM 4843 OH2 TIP3 955 22.288 -24.355 -3.119 0.00 0.00 WAT1 ATOM 4844 H1 TIP3 955 22.880 -23.656 -2.843 0.00 0.00 WAT1 ATOM 4845 H2 TIP3 955 22.747 -24.788 -3.838 0.00 0.00 WAT1 ATOM 4846 OH2 TIP3 956 20.604 -31.691 -4.003 0.00 0.00 WAT1 ATOM 4847 H1 TIP3 956 20.559 -30.752 -3.824 0.00 0.00 WAT1 ATOM 4848 H2 TIP3 956 19.716 -31.927 -4.273 0.00 0.00 WAT1 ATOM 4849 OH2 TIP3 957 20.342 -22.969 0.831 0.00 0.00 WAT1 ATOM 4850 H1 TIP3 957 19.510 -22.496 0.858 0.00 0.00 WAT1 ATOM 4851 H2 TIP3 957 20.888 -22.459 0.232 0.00 0.00 WAT1 ATOM 4852 OH2 TIP3 958 24.228 -21.437 13.781 0.00 0.00 WAT1 ATOM 4853 H1 TIP3 958 24.996 -21.896 14.122 0.00 0.00 WAT1 ATOM 4854 H2 TIP3 958 24.207 -21.663 12.851 0.00 0.00 WAT1 ATOM 4855 OH2 TIP3 959 28.320 -21.929 -4.844 0.00 0.00 WAT1 ATOM 4856 H1 TIP3 959 27.676 -22.560 -4.522 0.00 0.00 WAT1 ATOM 4857 H2 TIP3 959 29.082 -22.460 -5.076 0.00 0.00 WAT1 ATOM 4858 OH2 TIP3 960 23.879 -26.202 -4.753 0.00 0.00 WAT1 ATOM 4859 H1 TIP3 960 23.943 -26.996 -4.222 0.00 0.00 WAT1 ATOM 4860 H2 TIP3 960 24.532 -26.321 -5.442 0.00 0.00 WAT1 ATOM 4861 OH2 TIP3 961 20.370 -29.346 12.535 0.00 0.00 WAT1 ATOM 4862 H1 TIP3 961 20.778 -30.203 12.414 0.00 0.00 WAT1 ATOM 4863 H2 TIP3 961 20.110 -29.331 13.456 0.00 0.00 WAT1 ATOM 4864 OH2 TIP3 962 25.028 -28.230 -2.447 0.00 0.00 WAT1 ATOM 4865 H1 TIP3 962 24.569 -28.714 -1.761 0.00 0.00 WAT1 ATOM 4866 H2 TIP3 962 25.283 -28.898 -3.083 0.00 0.00 WAT1 ATOM 4867 OH2 TIP3 963 24.317 -30.337 9.909 0.00 0.00 WAT1 ATOM 4868 H1 TIP3 963 23.699 -29.662 10.190 0.00 0.00 WAT1 ATOM 4869 H2 TIP3 963 24.661 -30.016 9.076 0.00 0.00 WAT1 ATOM 4870 OH2 TIP3 964 24.657 -32.982 10.992 0.00 0.00 WAT1 ATOM 4871 H1 TIP3 964 24.807 -33.711 10.389 0.00 0.00 WAT1 ATOM 4872 H2 TIP3 964 24.659 -32.205 10.433 0.00 0.00 WAT1 ATOM 4873 OH2 TIP3 965 23.135 -31.784 12.903 0.00 0.00 WAT1 ATOM 4874 H1 TIP3 965 22.368 -32.316 12.693 0.00 0.00 WAT1 ATOM 4875 H2 TIP3 965 23.814 -32.094 12.304 0.00 0.00 WAT1 ATOM 4876 OH2 TIP3 966 27.139 -32.834 12.479 0.00 0.00 WAT1 ATOM 4877 H1 TIP3 966 26.903 -33.054 13.381 0.00 0.00 WAT1 ATOM 4878 H2 TIP3 966 26.356 -33.041 11.970 0.00 0.00 WAT1 ATOM 4879 OH2 TIP3 967 26.097 -37.862 11.587 0.00 0.00 WAT1 ATOM 4880 H1 TIP3 967 26.809 -38.502 11.573 0.00 0.00 WAT1 ATOM 4881 H2 TIP3 967 25.996 -37.595 10.673 0.00 0.00 WAT1 ATOM 4882 OH2 TIP3 968 26.450 -36.179 13.641 0.00 0.00 WAT1 ATOM 4883 H1 TIP3 968 26.319 -36.655 12.820 0.00 0.00 WAT1 ATOM 4884 H2 TIP3 968 25.851 -35.435 13.585 0.00 0.00 WAT1 ATOM 4885 OH2 TIP3 969 25.997 -19.296 -3.183 0.00 0.00 WAT1 ATOM 4886 H1 TIP3 969 26.930 -19.138 -3.039 0.00 0.00 WAT1 ATOM 4887 H2 TIP3 969 25.733 -18.621 -3.808 0.00 0.00 WAT1 ATOM 4888 OH2 TIP3 970 18.214 -19.267 1.377 0.00 0.00 WAT1 ATOM 4889 H1 TIP3 970 17.567 -19.729 0.844 0.00 0.00 WAT1 ATOM 4890 H2 TIP3 970 18.569 -19.939 1.960 0.00 0.00 WAT1 ATOM 4891 OH2 TIP3 971 19.084 -21.186 3.182 0.00 0.00 WAT1 ATOM 4892 H1 TIP3 971 18.750 -22.067 3.354 0.00 0.00 WAT1 ATOM 4893 H2 TIP3 971 19.306 -20.841 4.046 0.00 0.00 WAT1 ATOM 4894 OH2 TIP3 972 19.164 -28.111 5.633 0.00 0.00 WAT1 ATOM 4895 H1 TIP3 972 19.348 -28.193 4.698 0.00 0.00 WAT1 ATOM 4896 H2 TIP3 972 20.013 -28.235 6.057 0.00 0.00 WAT1 ATOM 4897 OH2 TIP3 973 18.287 -31.529 5.734 0.00 0.00 WAT1 ATOM 4898 H1 TIP3 973 18.779 -31.750 4.944 0.00 0.00 WAT1 ATOM 4899 H2 TIP3 973 18.649 -30.688 6.015 0.00 0.00 WAT1 ATOM 4900 OH2 TIP3 974 18.564 -36.533 8.133 0.00 0.00 WAT1 ATOM 4901 H1 TIP3 974 17.899 -36.779 8.776 0.00 0.00 WAT1 ATOM 4902 H2 TIP3 974 18.121 -35.911 7.556 0.00 0.00 WAT1 ATOM 4903 OH2 TIP3 975 23.710 -22.383 8.536 0.00 0.00 WAT1 ATOM 4904 H1 TIP3 975 23.285 -21.574 8.253 0.00 0.00 WAT1 ATOM 4905 H2 TIP3 975 24.615 -22.298 8.234 0.00 0.00 WAT1 ATOM 4906 OH2 TIP3 976 21.112 -19.127 8.583 0.00 0.00 WAT1 ATOM 4907 H1 TIP3 976 20.392 -18.687 8.132 0.00 0.00 WAT1 ATOM 4908 H2 TIP3 976 20.746 -19.378 9.432 0.00 0.00 WAT1 ATOM 4909 OH2 TIP3 977 19.778 -21.280 -1.335 0.00 0.00 WAT1 ATOM 4910 H1 TIP3 977 19.093 -21.318 -2.003 0.00 0.00 WAT1 ATOM 4911 H2 TIP3 977 19.781 -20.367 -1.047 0.00 0.00 WAT1 ATOM 4912 OH2 TIP3 978 22.971 -37.161 13.017 0.00 0.00 WAT1 ATOM 4913 H1 TIP3 978 23.870 -37.435 12.832 0.00 0.00 WAT1 ATOM 4914 H2 TIP3 978 22.585 -37.904 13.481 0.00 0.00 WAT1 ATOM 4915 OH2 TIP3 979 21.596 -20.360 -4.310 0.00 0.00 WAT1 ATOM 4916 H1 TIP3 979 21.328 -20.073 -3.437 0.00 0.00 WAT1 ATOM 4917 H2 TIP3 979 22.367 -20.906 -4.158 0.00 0.00 WAT1 ATOM 4918 OH2 TIP3 980 29.052 -28.615 24.197 0.00 0.00 WAT1 ATOM 4919 H1 TIP3 980 29.014 -29.261 24.902 0.00 0.00 WAT1 ATOM 4920 H2 TIP3 980 28.729 -29.081 23.426 0.00 0.00 WAT1 ATOM 4921 OH2 TIP3 981 29.869 -20.571 22.711 0.00 0.00 WAT1 ATOM 4922 H1 TIP3 981 30.489 -21.248 22.438 0.00 0.00 WAT1 ATOM 4923 H2 TIP3 981 29.661 -20.789 23.619 0.00 0.00 WAT1 ATOM 4924 OH2 TIP3 982 27.441 -26.182 24.603 0.00 0.00 WAT1 ATOM 4925 H1 TIP3 982 27.745 -26.868 24.009 0.00 0.00 WAT1 ATOM 4926 H2 TIP3 982 28.163 -26.064 25.221 0.00 0.00 WAT1 ATOM 4927 OH2 TIP3 983 25.513 -29.740 22.181 0.00 0.00 WAT1 ATOM 4928 H1 TIP3 983 26.129 -30.266 22.690 0.00 0.00 WAT1 ATOM 4929 H2 TIP3 983 24.927 -30.380 21.777 0.00 0.00 WAT1 ATOM 4930 OH2 TIP3 984 29.916 -25.269 19.821 0.00 0.00 WAT1 ATOM 4931 H1 TIP3 984 29.620 -25.591 18.970 0.00 0.00 WAT1 ATOM 4932 H2 TIP3 984 29.592 -24.369 19.863 0.00 0.00 WAT1 ATOM 4933 OH2 TIP3 985 25.116 -27.093 26.565 0.00 0.00 WAT1 ATOM 4934 H1 TIP3 985 24.376 -26.495 26.668 0.00 0.00 WAT1 ATOM 4935 H2 TIP3 985 25.830 -26.539 26.249 0.00 0.00 WAT1 ATOM 4936 OH2 TIP3 986 26.573 -37.463 23.730 0.00 0.00 WAT1 ATOM 4937 H1 TIP3 986 26.456 -38.412 23.676 0.00 0.00 WAT1 ATOM 4938 H2 TIP3 986 25.718 -37.131 24.003 0.00 0.00 WAT1 ATOM 4939 OH2 TIP3 987 31.522 -22.055 21.472 0.00 0.00 WAT1 ATOM 4940 H1 TIP3 987 31.947 -22.762 20.987 0.00 0.00 WAT1 ATOM 4941 H2 TIP3 987 31.839 -21.254 21.055 0.00 0.00 WAT1 ATOM 4942 OH2 TIP3 988 25.138 -24.618 29.415 0.00 0.00 WAT1 ATOM 4943 H1 TIP3 988 24.826 -23.836 29.871 0.00 0.00 WAT1 ATOM 4944 H2 TIP3 988 24.488 -24.771 28.729 0.00 0.00 WAT1 ATOM 4945 OH2 TIP3 989 28.843 -22.517 20.302 0.00 0.00 WAT1 ATOM 4946 H1 TIP3 989 29.317 -22.222 21.080 0.00 0.00 WAT1 ATOM 4947 H2 TIP3 989 28.280 -21.779 20.069 0.00 0.00 WAT1 ATOM 4948 OH2 TIP3 990 22.881 -28.716 18.654 0.00 0.00 WAT1 ATOM 4949 H1 TIP3 990 22.589 -27.948 18.163 0.00 0.00 WAT1 ATOM 4950 H2 TIP3 990 22.207 -29.376 18.491 0.00 0.00 WAT1 ATOM 4951 OH2 TIP3 991 27.901 -23.333 28.911 0.00 0.00 WAT1 ATOM 4952 H1 TIP3 991 27.988 -22.507 29.386 0.00 0.00 WAT1 ATOM 4953 H2 TIP3 991 27.037 -23.663 29.160 0.00 0.00 WAT1 ATOM 4954 OH2 TIP3 992 28.315 -19.561 18.717 0.00 0.00 WAT1 ATOM 4955 H1 TIP3 992 28.240 -19.682 17.771 0.00 0.00 WAT1 ATOM 4956 H2 TIP3 992 28.348 -18.611 18.836 0.00 0.00 WAT1 ATOM 4957 OH2 TIP3 993 31.086 -20.481 18.469 0.00 0.00 WAT1 ATOM 4958 H1 TIP3 993 30.151 -20.381 18.648 0.00 0.00 WAT1 ATOM 4959 H2 TIP3 993 31.366 -21.190 19.047 0.00 0.00 WAT1 ATOM 4960 OH2 TIP3 994 28.505 -36.838 27.882 0.00 0.00 WAT1 ATOM 4961 H1 TIP3 994 28.925 -37.253 28.635 0.00 0.00 WAT1 ATOM 4962 H2 TIP3 994 27.572 -37.016 27.999 0.00 0.00 WAT1 ATOM 4963 OH2 TIP3 995 28.167 -34.345 15.167 0.00 0.00 WAT1 ATOM 4964 H1 TIP3 995 27.913 -34.326 16.090 0.00 0.00 WAT1 ATOM 4965 H2 TIP3 995 27.910 -35.217 14.866 0.00 0.00 WAT1 ATOM 4966 OH2 TIP3 996 28.568 -30.782 30.820 0.00 0.00 WAT1 ATOM 4967 H1 TIP3 996 28.005 -31.486 31.140 0.00 0.00 WAT1 ATOM 4968 H2 TIP3 996 29.394 -30.902 31.287 0.00 0.00 WAT1 ATOM 4969 OH2 TIP3 997 25.049 -33.900 14.268 0.00 0.00 WAT1 ATOM 4970 H1 TIP3 997 24.618 -34.345 14.998 0.00 0.00 WAT1 ATOM 4971 H2 TIP3 997 24.331 -33.528 13.756 0.00 0.00 WAT1 ATOM 4972 OH2 TIP3 998 26.512 -33.946 21.601 0.00 0.00 WAT1 ATOM 4973 H1 TIP3 998 25.601 -33.889 21.890 0.00 0.00 WAT1 ATOM 4974 H2 TIP3 998 27.017 -34.006 22.412 0.00 0.00 WAT1 ATOM 4975 OH2 TIP3 999 23.667 -31.122 15.651 0.00 0.00 WAT1 ATOM 4976 H1 TIP3 999 23.125 -31.502 14.960 0.00 0.00 WAT1 ATOM 4977 H2 TIP3 999 24.501 -30.928 15.222 0.00 0.00 WAT1 ATOM 4978 OH2 TIP3 1000 27.832 -31.158 23.488 0.00 0.00 WAT1 ATOM 4979 H1 TIP3 1000 28.396 -31.705 22.941 0.00 0.00 WAT1 ATOM 4980 H2 TIP3 1000 27.684 -31.680 24.277 0.00 0.00 WAT1 ATOM 4981 OH2 TIP3 1001 26.458 -32.770 25.902 0.00 0.00 WAT1 ATOM 4982 H1 TIP3 1001 25.623 -32.316 26.012 0.00 0.00 WAT1 ATOM 4983 H2 TIP3 1001 26.982 -32.494 26.654 0.00 0.00 WAT1 ATOM 4984 OH2 TIP3 1002 27.002 -26.557 17.587 0.00 0.00 WAT1 ATOM 4985 H1 TIP3 1002 26.258 -27.064 17.264 0.00 0.00 WAT1 ATOM 4986 H2 TIP3 1002 26.868 -26.508 18.533 0.00 0.00 WAT1 ATOM 4987 OH2 TIP3 1003 28.522 -26.373 28.824 0.00 0.00 WAT1 ATOM 4988 H1 TIP3 1003 28.176 -26.754 29.630 0.00 0.00 WAT1 ATOM 4989 H2 TIP3 1003 28.322 -25.439 28.895 0.00 0.00 WAT1 ATOM 4990 OH2 TIP3 1004 29.128 -25.098 16.612 0.00 0.00 WAT1 ATOM 4991 H1 TIP3 1004 28.833 -24.272 16.994 0.00 0.00 WAT1 ATOM 4992 H2 TIP3 1004 28.425 -25.718 16.808 0.00 0.00 WAT1 ATOM 4993 OH2 TIP3 1005 26.152 -29.284 30.884 0.00 0.00 WAT1 ATOM 4994 H1 TIP3 1005 25.856 -29.450 29.989 0.00 0.00 WAT1 ATOM 4995 H2 TIP3 1005 27.083 -29.504 30.874 0.00 0.00 WAT1 ATOM 4996 OH2 TIP3 1006 25.929 -26.081 20.337 0.00 0.00 WAT1 ATOM 4997 H1 TIP3 1006 25.688 -25.156 20.379 0.00 0.00 WAT1 ATOM 4998 H2 TIP3 1006 25.189 -26.540 20.733 0.00 0.00 WAT1 ATOM 4999 OH2 TIP3 1007 26.444 -21.932 26.652 0.00 0.00 WAT1 ATOM 5000 H1 TIP3 1007 26.807 -21.077 26.419 0.00 0.00 WAT1 ATOM 5001 H2 TIP3 1007 26.976 -22.224 27.393 0.00 0.00 WAT1 ATOM 5002 OH2 TIP3 1008 26.282 -23.792 13.874 0.00 0.00 WAT1 ATOM 5003 H1 TIP3 1008 26.521 -24.540 13.326 0.00 0.00 WAT1 ATOM 5004 H2 TIP3 1008 26.013 -24.180 14.706 0.00 0.00 WAT1 ATOM 5005 OH2 TIP3 1009 25.219 -24.222 16.330 0.00 0.00 WAT1 ATOM 5006 H1 TIP3 1009 25.366 -24.742 17.120 0.00 0.00 WAT1 ATOM 5007 H2 TIP3 1009 25.216 -23.315 16.636 0.00 0.00 WAT1 ATOM 5008 OH2 TIP3 1010 21.672 -26.969 16.840 0.00 0.00 WAT1 ATOM 5009 H1 TIP3 1010 20.986 -26.617 17.407 0.00 0.00 WAT1 ATOM 5010 H2 TIP3 1010 22.195 -26.206 16.594 0.00 0.00 WAT1 ATOM 5011 OH2 TIP3 1011 29.504 -34.307 27.119 0.00 0.00 WAT1 ATOM 5012 H1 TIP3 1011 30.202 -34.233 27.769 0.00 0.00 WAT1 ATOM 5013 H2 TIP3 1011 29.123 -35.171 27.274 0.00 0.00 WAT1 ATOM 5014 OH2 TIP3 1012 27.957 -22.524 17.079 0.00 0.00 WAT1 ATOM 5015 H1 TIP3 1012 27.140 -22.027 17.132 0.00 0.00 WAT1 ATOM 5016 H2 TIP3 1012 28.486 -22.049 16.439 0.00 0.00 WAT1 ATOM 5017 OH2 TIP3 1013 27.488 -32.927 19.051 0.00 0.00 WAT1 ATOM 5018 H1 TIP3 1013 28.300 -32.423 19.097 0.00 0.00 WAT1 ATOM 5019 H2 TIP3 1013 27.243 -33.072 19.965 0.00 0.00 WAT1 ATOM 5020 OH2 TIP3 1014 28.024 -31.941 28.236 0.00 0.00 WAT1 ATOM 5021 H1 TIP3 1014 28.143 -31.367 28.993 0.00 0.00 WAT1 ATOM 5022 H2 TIP3 1014 28.679 -32.629 28.351 0.00 0.00 WAT1 ATOM 5023 OH2 TIP3 1015 28.372 -35.846 19.989 0.00 0.00 WAT1 ATOM 5024 H1 TIP3 1015 28.025 -35.228 20.634 0.00 0.00 WAT1 ATOM 5025 H2 TIP3 1015 29.030 -35.345 19.508 0.00 0.00 WAT1 ATOM 5026 OH2 TIP3 1016 24.228 -21.437 32.637 0.00 0.00 WAT1 ATOM 5027 H1 TIP3 1016 24.996 -21.896 32.978 0.00 0.00 WAT1 ATOM 5028 H2 TIP3 1016 24.207 -21.663 31.707 0.00 0.00 WAT1 ATOM 5029 OH2 TIP3 1017 28.320 -21.929 14.012 0.00 0.00 WAT1 ATOM 5030 H1 TIP3 1017 27.676 -22.560 14.334 0.00 0.00 WAT1 ATOM 5031 H2 TIP3 1017 29.082 -22.460 13.780 0.00 0.00 WAT1 ATOM 5032 OH2 TIP3 1018 23.879 -26.202 14.103 0.00 0.00 WAT1 ATOM 5033 H1 TIP3 1018 23.943 -26.996 14.634 0.00 0.00 WAT1 ATOM 5034 H2 TIP3 1018 24.532 -26.321 13.414 0.00 0.00 WAT1 ATOM 5035 OH2 TIP3 1019 26.193 -26.576 31.404 0.00 0.00 WAT1 ATOM 5036 H1 TIP3 1019 25.865 -26.305 30.546 0.00 0.00 WAT1 ATOM 5037 H2 TIP3 1019 26.345 -27.517 31.316 0.00 0.00 WAT1 ATOM 5038 OH2 TIP3 1020 25.028 -28.230 16.409 0.00 0.00 WAT1 ATOM 5039 H1 TIP3 1020 24.569 -28.714 17.095 0.00 0.00 WAT1 ATOM 5040 H2 TIP3 1020 25.283 -28.898 15.773 0.00 0.00 WAT1 ATOM 5041 OH2 TIP3 1021 24.317 -30.337 28.765 0.00 0.00 WAT1 ATOM 5042 H1 TIP3 1021 23.699 -29.662 29.046 0.00 0.00 WAT1 ATOM 5043 H2 TIP3 1021 24.661 -30.016 27.932 0.00 0.00 WAT1 ATOM 5044 OH2 TIP3 1022 26.099 -29.987 14.672 0.00 0.00 WAT1 ATOM 5045 H1 TIP3 1022 25.919 -30.141 13.744 0.00 0.00 WAT1 ATOM 5046 H2 TIP3 1022 27.050 -29.879 14.716 0.00 0.00 WAT1 ATOM 5047 OH2 TIP3 1023 26.651 -29.173 27.580 0.00 0.00 WAT1 ATOM 5048 H1 TIP3 1023 27.402 -29.329 27.007 0.00 0.00 WAT1 ATOM 5049 H2 TIP3 1023 26.312 -28.321 27.304 0.00 0.00 WAT1 ATOM 5050 OH2 TIP3 1024 25.875 -37.156 27.772 0.00 0.00 WAT1 ATOM 5051 H1 TIP3 1024 25.777 -36.209 27.666 0.00 0.00 WAT1 ATOM 5052 H2 TIP3 1024 25.132 -37.528 27.296 0.00 0.00 WAT1 ATOM 5053 OH2 TIP3 1025 27.139 -32.834 31.335 0.00 0.00 WAT1 ATOM 5054 H1 TIP3 1025 26.903 -33.054 32.237 0.00 0.00 WAT1 ATOM 5055 H2 TIP3 1025 26.356 -33.041 30.826 0.00 0.00 WAT1 ATOM 5056 OH2 TIP3 1026 29.855 -33.707 30.411 0.00 0.00 WAT1 ATOM 5057 H1 TIP3 1026 28.907 -33.675 30.543 0.00 0.00 WAT1 ATOM 5058 H2 TIP3 1026 30.167 -34.332 31.065 0.00 0.00 WAT1 ATOM 5059 OH2 TIP3 1027 26.097 -37.862 30.443 0.00 0.00 WAT1 ATOM 5060 H1 TIP3 1027 26.809 -38.502 30.429 0.00 0.00 WAT1 ATOM 5061 H2 TIP3 1027 25.996 -37.595 29.529 0.00 0.00 WAT1 ATOM 5062 OH2 TIP3 1028 26.450 -36.179 32.497 0.00 0.00 WAT1 ATOM 5063 H1 TIP3 1028 26.319 -36.655 31.676 0.00 0.00 WAT1 ATOM 5064 H2 TIP3 1028 25.851 -35.435 32.441 0.00 0.00 WAT1 ATOM 5065 OH2 TIP3 1029 25.997 -19.296 15.673 0.00 0.00 WAT1 ATOM 5066 H1 TIP3 1029 26.930 -19.138 15.817 0.00 0.00 WAT1 ATOM 5067 H2 TIP3 1029 25.733 -18.621 15.048 0.00 0.00 WAT1 ATOM 5068 OH2 TIP3 1030 28.021 -20.984 30.351 0.00 0.00 WAT1 ATOM 5069 H1 TIP3 1030 28.206 -21.318 31.229 0.00 0.00 WAT1 ATOM 5070 H2 TIP3 1030 28.868 -20.675 30.029 0.00 0.00 WAT1 ATOM 5071 OH2 TIP3 1031 28.290 -19.639 25.645 0.00 0.00 WAT1 ATOM 5072 H1 TIP3 1031 27.833 -19.110 24.991 0.00 0.00 WAT1 ATOM 5073 H2 TIP3 1031 28.453 -19.036 26.370 0.00 0.00 WAT1 ATOM 5074 OH2 TIP3 1032 28.714 -35.660 22.998 0.00 0.00 WAT1 ATOM 5075 H1 TIP3 1032 28.039 -36.289 23.253 0.00 0.00 WAT1 ATOM 5076 H2 TIP3 1032 29.278 -36.144 22.395 0.00 0.00 WAT1 ATOM 5077 OH2 TIP3 1033 26.764 -35.019 17.523 0.00 0.00 WAT1 ATOM 5078 H1 TIP3 1033 26.942 -35.665 18.206 0.00 0.00 WAT1 ATOM 5079 H2 TIP3 1033 26.710 -34.185 17.990 0.00 0.00 WAT1 ATOM 5080 OH2 TIP3 1034 28.642 -20.070 15.918 0.00 0.00 WAT1 ATOM 5081 H1 TIP3 1034 29.508 -19.704 15.740 0.00 0.00 WAT1 ATOM 5082 H2 TIP3 1034 28.395 -20.510 15.105 0.00 0.00 WAT1 ATOM 5083 OH2 TIP3 1035 18.954 -30.890 38.574 0.00 0.00 WAT1 ATOM 5084 H1 TIP3 1035 18.506 -30.044 38.556 0.00 0.00 WAT1 ATOM 5085 H2 TIP3 1035 18.393 -31.470 38.059 0.00 0.00 WAT1 ATOM 5086 OH2 TIP3 1036 19.664 -28.728 40.700 0.00 0.00 WAT1 ATOM 5087 H1 TIP3 1036 19.878 -29.498 41.227 0.00 0.00 WAT1 ATOM 5088 H2 TIP3 1036 20.402 -28.639 40.097 0.00 0.00 WAT1 ATOM 5089 OH2 TIP3 1037 23.737 -33.687 41.059 0.00 0.00 WAT1 ATOM 5090 H1 TIP3 1037 23.780 -32.827 40.641 0.00 0.00 WAT1 ATOM 5091 H2 TIP3 1037 23.279 -34.239 40.426 0.00 0.00 WAT1 ATOM 5092 OH2 TIP3 1038 20.357 -31.290 41.821 0.00 0.00 WAT1 ATOM 5093 H1 TIP3 1038 21.011 -31.840 42.253 0.00 0.00 WAT1 ATOM 5094 H2 TIP3 1038 20.381 -31.564 40.905 0.00 0.00 WAT1 ATOM 5095 OH2 TIP3 1039 22.141 -32.877 43.086 0.00 0.00 WAT1 ATOM 5096 H1 TIP3 1039 22.754 -32.244 43.459 0.00 0.00 WAT1 ATOM 5097 H2 TIP3 1039 22.653 -33.349 42.429 0.00 0.00 WAT1 ATOM 5098 OH2 TIP3 1040 19.645 -25.458 36.990 0.00 0.00 WAT1 ATOM 5099 H1 TIP3 1040 19.373 -25.229 36.101 0.00 0.00 WAT1 ATOM 5100 H2 TIP3 1040 19.690 -24.620 37.450 0.00 0.00 WAT1 ATOM 5101 OH2 TIP3 1041 26.573 -37.463 42.586 0.00 0.00 WAT1 ATOM 5102 H1 TIP3 1041 26.456 -38.412 42.532 0.00 0.00 WAT1 ATOM 5103 H2 TIP3 1041 25.718 -37.131 42.859 0.00 0.00 WAT1 ATOM 5104 OH2 TIP3 1042 22.881 -28.716 37.510 0.00 0.00 WAT1 ATOM 5105 H1 TIP3 1042 22.589 -27.948 37.019 0.00 0.00 WAT1 ATOM 5106 H2 TIP3 1042 22.207 -29.376 37.347 0.00 0.00 WAT1 ATOM 5107 OH2 TIP3 1043 18.725 -23.573 43.209 0.00 0.00 WAT1 ATOM 5108 H1 TIP3 1043 19.671 -23.717 43.190 0.00 0.00 WAT1 ATOM 5109 H2 TIP3 1043 18.612 -22.789 43.746 0.00 0.00 WAT1 ATOM 5110 OH2 TIP3 1044 28.315 -19.561 37.573 0.00 0.00 WAT1 ATOM 5111 H1 TIP3 1044 28.240 -19.682 36.627 0.00 0.00 WAT1 ATOM 5112 H2 TIP3 1044 28.348 -18.611 37.692 0.00 0.00 WAT1 ATOM 5113 OH2 TIP3 1045 21.969 -20.772 39.354 0.00 0.00 WAT1 ATOM 5114 H1 TIP3 1045 22.121 -21.120 40.233 0.00 0.00 WAT1 ATOM 5115 H2 TIP3 1045 21.118 -21.128 39.099 0.00 0.00 WAT1 ATOM 5116 OH2 TIP3 1046 28.505 -36.838 46.738 0.00 0.00 WAT1 ATOM 5117 H1 TIP3 1046 28.925 -37.253 47.491 0.00 0.00 WAT1 ATOM 5118 H2 TIP3 1046 27.572 -37.016 46.855 0.00 0.00 WAT1 ATOM 5119 OH2 TIP3 1047 28.167 -34.345 34.023 0.00 0.00 WAT1 ATOM 5120 H1 TIP3 1047 27.913 -34.326 34.946 0.00 0.00 WAT1 ATOM 5121 H2 TIP3 1047 27.910 -35.217 33.722 0.00 0.00 WAT1 ATOM 5122 OH2 TIP3 1048 23.933 -31.594 44.459 0.00 0.00 WAT1 ATOM 5123 H1 TIP3 1048 23.291 -31.635 45.168 0.00 0.00 WAT1 ATOM 5124 H2 TIP3 1048 23.970 -30.668 44.221 0.00 0.00 WAT1 ATOM 5125 OH2 TIP3 1049 23.930 -31.373 39.371 0.00 0.00 WAT1 ATOM 5126 H1 TIP3 1049 23.037 -31.714 39.312 0.00 0.00 WAT1 ATOM 5127 H2 TIP3 1049 24.381 -31.750 38.615 0.00 0.00 WAT1 ATOM 5128 OH2 TIP3 1050 21.683 -31.274 46.326 0.00 0.00 WAT1 ATOM 5129 H1 TIP3 1050 21.645 -30.874 47.194 0.00 0.00 WAT1 ATOM 5130 H2 TIP3 1050 21.192 -32.091 46.416 0.00 0.00 WAT1 ATOM 5131 OH2 TIP3 1051 26.512 -33.946 40.457 0.00 0.00 WAT1 ATOM 5132 H1 TIP3 1051 25.601 -33.889 40.746 0.00 0.00 WAT1 ATOM 5133 H2 TIP3 1051 27.017 -34.006 41.268 0.00 0.00 WAT1 ATOM 5134 OH2 TIP3 1052 21.340 -32.317 39.284 0.00 0.00 WAT1 ATOM 5135 H1 TIP3 1052 20.451 -32.217 38.944 0.00 0.00 WAT1 ATOM 5136 H2 TIP3 1052 21.636 -33.159 38.938 0.00 0.00 WAT1 ATOM 5137 OH2 TIP3 1053 24.993 -32.317 36.940 0.00 0.00 WAT1 ATOM 5138 H1 TIP3 1053 25.925 -32.188 37.118 0.00 0.00 WAT1 ATOM 5139 H2 TIP3 1053 24.778 -31.647 36.291 0.00 0.00 WAT1 ATOM 5140 OH2 TIP3 1054 23.667 -31.122 34.507 0.00 0.00 WAT1 ATOM 5141 H1 TIP3 1054 23.125 -31.502 33.816 0.00 0.00 WAT1 ATOM 5142 H2 TIP3 1054 24.501 -30.928 34.078 0.00 0.00 WAT1 ATOM 5143 OH2 TIP3 1055 22.834 -35.022 38.762 0.00 0.00 WAT1 ATOM 5144 H1 TIP3 1055 22.517 -35.924 38.727 0.00 0.00 WAT1 ATOM 5145 H2 TIP3 1055 23.615 -35.020 38.210 0.00 0.00 WAT1 ATOM 5146 OH2 TIP3 1056 26.458 -32.770 44.758 0.00 0.00 WAT1 ATOM 5147 H1 TIP3 1056 25.623 -32.316 44.868 0.00 0.00 WAT1 ATOM 5148 H2 TIP3 1056 26.982 -32.494 45.510 0.00 0.00 WAT1 ATOM 5149 OH2 TIP3 1057 24.502 -23.744 39.617 0.00 0.00 WAT1 ATOM 5150 H1 TIP3 1057 25.029 -22.971 39.416 0.00 0.00 WAT1 ATOM 5151 H2 TIP3 1057 23.622 -23.519 39.315 0.00 0.00 WAT1 ATOM 5152 OH2 TIP3 1058 24.613 -21.059 38.738 0.00 0.00 WAT1 ATOM 5153 H1 TIP3 1058 23.663 -20.954 38.790 0.00 0.00 WAT1 ATOM 5154 H2 TIP3 1058 24.964 -20.239 39.083 0.00 0.00 WAT1 ATOM 5155 OH2 TIP3 1059 20.769 -34.048 47.085 0.00 0.00 WAT1 ATOM 5156 H1 TIP3 1059 19.876 -33.709 47.018 0.00 0.00 WAT1 ATOM 5157 H2 TIP3 1059 20.670 -34.903 47.503 0.00 0.00 WAT1 ATOM 5158 OH2 TIP3 1060 26.282 -23.792 32.730 0.00 0.00 WAT1 ATOM 5159 H1 TIP3 1060 26.521 -24.540 32.182 0.00 0.00 WAT1 ATOM 5160 H2 TIP3 1060 26.013 -24.180 33.562 0.00 0.00 WAT1 ATOM 5161 OH2 TIP3 1061 25.219 -24.222 35.186 0.00 0.00 WAT1 ATOM 5162 H1 TIP3 1061 25.366 -24.742 35.976 0.00 0.00 WAT1 ATOM 5163 H2 TIP3 1061 25.216 -23.315 35.492 0.00 0.00 WAT1 ATOM 5164 OH2 TIP3 1062 21.672 -26.969 35.696 0.00 0.00 WAT1 ATOM 5165 H1 TIP3 1062 20.986 -26.617 36.263 0.00 0.00 WAT1 ATOM 5166 H2 TIP3 1062 22.195 -26.206 35.450 0.00 0.00 WAT1 ATOM 5167 OH2 TIP3 1063 27.957 -22.524 35.935 0.00 0.00 WAT1 ATOM 5168 H1 TIP3 1063 27.140 -22.027 35.988 0.00 0.00 WAT1 ATOM 5169 H2 TIP3 1063 28.486 -22.049 35.295 0.00 0.00 WAT1 ATOM 5170 OH2 TIP3 1064 25.295 -21.481 35.917 0.00 0.00 WAT1 ATOM 5171 H1 TIP3 1064 25.456 -20.681 35.416 0.00 0.00 WAT1 ATOM 5172 H2 TIP3 1064 25.098 -21.174 36.802 0.00 0.00 WAT1 ATOM 5173 OH2 TIP3 1065 24.029 -34.783 35.533 0.00 0.00 WAT1 ATOM 5174 H1 TIP3 1065 23.946 -33.894 35.879 0.00 0.00 WAT1 ATOM 5175 H2 TIP3 1065 24.919 -35.048 35.764 0.00 0.00 WAT1 ATOM 5176 OH2 TIP3 1066 22.288 -24.355 34.593 0.00 0.00 WAT1 ATOM 5177 H1 TIP3 1066 22.880 -23.656 34.869 0.00 0.00 WAT1 ATOM 5178 H2 TIP3 1066 22.747 -24.788 33.874 0.00 0.00 WAT1 ATOM 5179 OH2 TIP3 1067 23.879 -26.202 32.959 0.00 0.00 WAT1 ATOM 5180 H1 TIP3 1067 23.943 -26.996 33.490 0.00 0.00 WAT1 ATOM 5181 H2 TIP3 1067 24.532 -26.321 32.270 0.00 0.00 WAT1 ATOM 5182 OH2 TIP3 1068 25.028 -28.230 35.265 0.00 0.00 WAT1 ATOM 5183 H1 TIP3 1068 24.569 -28.714 35.951 0.00 0.00 WAT1 ATOM 5184 H2 TIP3 1068 25.283 -28.898 34.629 0.00 0.00 WAT1 ATOM 5185 OH2 TIP3 1069 26.099 -29.987 33.528 0.00 0.00 WAT1 ATOM 5186 H1 TIP3 1069 25.919 -30.141 32.600 0.00 0.00 WAT1 ATOM 5187 H2 TIP3 1069 27.050 -29.879 33.572 0.00 0.00 WAT1 ATOM 5188 OH2 TIP3 1070 24.657 -32.982 48.704 0.00 0.00 WAT1 ATOM 5189 H1 TIP3 1070 24.807 -33.711 48.101 0.00 0.00 WAT1 ATOM 5190 H2 TIP3 1070 24.659 -32.205 48.145 0.00 0.00 WAT1 ATOM 5191 OH2 TIP3 1071 25.069 -34.612 46.196 0.00 0.00 WAT1 ATOM 5192 H1 TIP3 1071 25.605 -34.161 45.544 0.00 0.00 WAT1 ATOM 5193 H2 TIP3 1071 24.217 -34.720 45.774 0.00 0.00 WAT1 ATOM 5194 OH2 TIP3 1072 25.875 -37.156 46.628 0.00 0.00 WAT1 ATOM 5195 H1 TIP3 1072 25.777 -36.209 46.522 0.00 0.00 WAT1 ATOM 5196 H2 TIP3 1072 25.132 -37.528 46.152 0.00 0.00 WAT1 ATOM 5197 OH2 TIP3 1073 21.316 -33.863 50.320 0.00 0.00 WAT1 ATOM 5198 H1 TIP3 1073 21.527 -34.570 49.709 0.00 0.00 WAT1 ATOM 5199 H2 TIP3 1073 21.204 -34.301 51.164 0.00 0.00 WAT1 ATOM 5200 OH2 TIP3 1074 26.097 -37.862 49.299 0.00 0.00 WAT1 ATOM 5201 H1 TIP3 1074 26.809 -38.502 49.285 0.00 0.00 WAT1 ATOM 5202 H2 TIP3 1074 25.996 -37.595 48.385 0.00 0.00 WAT1 ATOM 5203 OH2 TIP3 1075 25.997 -19.296 34.529 0.00 0.00 WAT1 ATOM 5204 H1 TIP3 1075 26.930 -19.138 34.673 0.00 0.00 WAT1 ATOM 5205 H2 TIP3 1075 25.733 -18.621 33.904 0.00 0.00 WAT1 ATOM 5206 OH2 TIP3 1076 18.762 -32.840 49.486 0.00 0.00 WAT1 ATOM 5207 H1 TIP3 1076 19.681 -32.962 49.722 0.00 0.00 WAT1 ATOM 5208 H2 TIP3 1076 18.312 -33.590 49.875 0.00 0.00 WAT1 ATOM 5209 OH2 TIP3 1077 18.287 -31.529 43.446 0.00 0.00 WAT1 ATOM 5210 H1 TIP3 1077 18.779 -31.750 42.656 0.00 0.00 WAT1 ATOM 5211 H2 TIP3 1077 18.649 -30.688 43.727 0.00 0.00 WAT1 ATOM 5212 OH2 TIP3 1078 20.527 -20.504 43.206 0.00 0.00 WAT1 ATOM 5213 H1 TIP3 1078 20.508 -20.929 44.063 0.00 0.00 WAT1 ATOM 5214 H2 TIP3 1078 21.332 -20.822 42.797 0.00 0.00 WAT1 ATOM 5215 OH2 TIP3 1079 22.668 -21.794 41.861 0.00 0.00 WAT1 ATOM 5216 H1 TIP3 1079 22.449 -22.710 42.030 0.00 0.00 WAT1 ATOM 5217 H2 TIP3 1079 23.492 -21.654 42.327 0.00 0.00 WAT1 ATOM 5218 OH2 TIP3 1080 25.205 -21.324 42.709 0.00 0.00 WAT1 ATOM 5219 H1 TIP3 1080 25.418 -22.212 42.422 0.00 0.00 WAT1 ATOM 5220 H2 TIP3 1080 25.270 -21.358 43.664 0.00 0.00 WAT1 ATOM 5221 OH2 TIP3 1081 28.714 -35.660 41.854 0.00 0.00 WAT1 ATOM 5222 H1 TIP3 1081 28.039 -36.289 42.109 0.00 0.00 WAT1 ATOM 5223 H2 TIP3 1081 29.278 -36.144 41.251 0.00 0.00 WAT1 ATOM 5224 OH2 TIP3 1082 25.620 -37.099 39.489 0.00 0.00 WAT1 ATOM 5225 H1 TIP3 1082 26.494 -36.711 39.459 0.00 0.00 WAT1 ATOM 5226 H2 TIP3 1082 25.484 -37.314 40.412 0.00 0.00 WAT1 ATOM 5227 OH2 TIP3 1083 21.738 -35.312 33.922 0.00 0.00 WAT1 ATOM 5228 H1 TIP3 1083 22.229 -35.942 33.394 0.00 0.00 WAT1 ATOM 5229 H2 TIP3 1083 22.361 -35.016 34.585 0.00 0.00 WAT1 ATOM 5230 OH2 TIP3 1084 26.764 -35.019 36.379 0.00 0.00 WAT1 ATOM 5231 H1 TIP3 1084 26.942 -35.665 37.062 0.00 0.00 WAT1 ATOM 5232 H2 TIP3 1084 26.710 -34.185 36.846 0.00 0.00 WAT1 ATOM 5233 OH2 TIP3 1085 28.642 -20.070 34.774 0.00 0.00 WAT1 ATOM 5234 H1 TIP3 1085 29.508 -19.704 34.596 0.00 0.00 WAT1 ATOM 5235 H2 TIP3 1085 28.395 -20.510 33.961 0.00 0.00 WAT1 ATOM 5236 OH2 TIP3 1086 20.998 -36.512 49.193 0.00 0.00 WAT1 ATOM 5237 H1 TIP3 1086 20.632 -37.277 49.636 0.00 0.00 WAT1 ATOM 5238 H2 TIP3 1086 21.911 -36.483 49.480 0.00 0.00 WAT1 ATOM 5239 OH2 TIP3 1087 22.971 -37.161 50.729 0.00 0.00 WAT1 ATOM 5240 H1 TIP3 1087 23.870 -37.435 50.544 0.00 0.00 WAT1 ATOM 5241 H2 TIP3 1087 22.585 -37.904 51.193 0.00 0.00 WAT1 ATOM 5242 OH2 TIP3 1088 21.596 -20.360 33.402 0.00 0.00 WAT1 ATOM 5243 H1 TIP3 1088 21.328 -20.073 34.275 0.00 0.00 WAT1 ATOM 5244 H2 TIP3 1088 22.367 -20.906 33.554 0.00 0.00 WAT1 ATOM 5245 OH2 TIP3 1089 22.547 -15.913 -11.435 0.00 0.00 WAT1 ATOM 5246 H1 TIP3 1089 22.328 -15.383 -12.201 0.00 0.00 WAT1 ATOM 5247 H2 TIP3 1089 21.879 -15.686 -10.787 0.00 0.00 WAT1 ATOM 5248 OH2 TIP3 1090 23.842 -17.704 -13.204 0.00 0.00 WAT1 ATOM 5249 H1 TIP3 1090 22.981 -17.791 -13.612 0.00 0.00 WAT1 ATOM 5250 H2 TIP3 1090 23.820 -16.848 -12.777 0.00 0.00 WAT1 ATOM 5251 OH2 TIP3 1091 20.769 -15.192 -9.483 0.00 0.00 WAT1 ATOM 5252 H1 TIP3 1091 19.876 -14.853 -9.550 0.00 0.00 WAT1 ATOM 5253 H2 TIP3 1091 20.670 -16.047 -9.065 0.00 0.00 WAT1 ATOM 5254 OH2 TIP3 1092 21.412 -18.053 -14.186 0.00 0.00 WAT1 ATOM 5255 H1 TIP3 1092 21.183 -17.994 -15.113 0.00 0.00 WAT1 ATOM 5256 H2 TIP3 1092 20.969 -18.845 -13.879 0.00 0.00 WAT1 ATOM 5257 OH2 TIP3 1093 25.875 -18.300 -9.940 0.00 0.00 WAT1 ATOM 5258 H1 TIP3 1093 25.777 -17.353 -10.046 0.00 0.00 WAT1 ATOM 5259 H2 TIP3 1093 25.132 -18.672 -10.416 0.00 0.00 WAT1 ATOM 5260 OH2 TIP3 1094 26.097 -19.006 -7.269 0.00 0.00 WAT1 ATOM 5261 H1 TIP3 1094 26.809 -19.646 -7.283 0.00 0.00 WAT1 ATOM 5262 H2 TIP3 1094 25.996 -18.739 -8.183 0.00 0.00 WAT1 ATOM 5263 OH2 TIP3 1095 26.450 -17.323 -5.215 0.00 0.00 WAT1 ATOM 5264 H1 TIP3 1095 26.319 -17.799 -6.036 0.00 0.00 WAT1 ATOM 5265 H2 TIP3 1095 25.851 -16.579 -5.271 0.00 0.00 WAT1 ATOM 5266 OH2 TIP3 1096 18.564 -17.677 -10.723 0.00 0.00 WAT1 ATOM 5267 H1 TIP3 1096 17.899 -17.923 -10.080 0.00 0.00 WAT1 ATOM 5268 H2 TIP3 1096 18.121 -17.055 -11.300 0.00 0.00 WAT1 ATOM 5269 OH2 TIP3 1097 20.998 -17.656 -7.375 0.00 0.00 WAT1 ATOM 5270 H1 TIP3 1097 20.632 -18.421 -6.932 0.00 0.00 WAT1 ATOM 5271 H2 TIP3 1097 21.911 -17.627 -7.088 0.00 0.00 WAT1 ATOM 5272 OH2 TIP3 1098 22.971 -18.305 -5.839 0.00 0.00 WAT1 ATOM 5273 H1 TIP3 1098 23.870 -18.579 -6.024 0.00 0.00 WAT1 ATOM 5274 H2 TIP3 1098 22.585 -19.048 -5.375 0.00 0.00 WAT1 ATOM 5275 OH2 TIP3 1099 18.974 -7.497 8.613 0.00 0.00 WAT1 ATOM 5276 H1 TIP3 1099 18.473 -7.525 7.798 0.00 0.00 WAT1 ATOM 5277 H2 TIP3 1099 18.980 -8.403 8.923 0.00 0.00 WAT1 ATOM 5278 OH2 TIP3 1100 18.291 -15.302 2.464 0.00 0.00 WAT1 ATOM 5279 H1 TIP3 1100 18.922 -15.331 3.184 0.00 0.00 WAT1 ATOM 5280 H2 TIP3 1100 18.741 -15.727 1.734 0.00 0.00 WAT1 ATOM 5281 OH2 TIP3 1101 19.135 -9.945 9.815 0.00 0.00 WAT1 ATOM 5282 H1 TIP3 1101 19.358 -10.363 10.647 0.00 0.00 WAT1 ATOM 5283 H2 TIP3 1101 18.533 -10.558 9.393 0.00 0.00 WAT1 ATOM 5284 OH2 TIP3 1102 20.769 -15.192 9.373 0.00 0.00 WAT1 ATOM 5285 H1 TIP3 1102 19.876 -14.853 9.306 0.00 0.00 WAT1 ATOM 5286 H2 TIP3 1102 20.670 -16.047 9.791 0.00 0.00 WAT1 ATOM 5287 OH2 TIP3 1103 20.370 -10.490 12.535 0.00 0.00 WAT1 ATOM 5288 H1 TIP3 1103 20.778 -11.347 12.414 0.00 0.00 WAT1 ATOM 5289 H2 TIP3 1103 20.110 -10.475 13.456 0.00 0.00 WAT1 ATOM 5290 OH2 TIP3 1104 23.135 -12.928 12.903 0.00 0.00 WAT1 ATOM 5291 H1 TIP3 1104 22.368 -13.460 12.693 0.00 0.00 WAT1 ATOM 5292 H2 TIP3 1104 23.814 -13.238 12.304 0.00 0.00 WAT1 ATOM 5293 OH2 TIP3 1105 21.316 -15.007 12.608 0.00 0.00 WAT1 ATOM 5294 H1 TIP3 1105 21.527 -15.714 11.997 0.00 0.00 WAT1 ATOM 5295 H2 TIP3 1105 21.204 -15.445 13.452 0.00 0.00 WAT1 ATOM 5296 OH2 TIP3 1106 26.097 -19.006 11.587 0.00 0.00 WAT1 ATOM 5297 H1 TIP3 1106 26.809 -19.646 11.573 0.00 0.00 WAT1 ATOM 5298 H2 TIP3 1106 25.996 -18.739 10.673 0.00 0.00 WAT1 ATOM 5299 OH2 TIP3 1107 26.450 -17.323 13.641 0.00 0.00 WAT1 ATOM 5300 H1 TIP3 1107 26.319 -17.799 12.820 0.00 0.00 WAT1 ATOM 5301 H2 TIP3 1107 25.851 -16.579 13.585 0.00 0.00 WAT1 ATOM 5302 OH2 TIP3 1108 19.164 -9.255 5.633 0.00 0.00 WAT1 ATOM 5303 H1 TIP3 1108 19.348 -9.337 4.698 0.00 0.00 WAT1 ATOM 5304 H2 TIP3 1108 20.013 -9.379 6.057 0.00 0.00 WAT1 ATOM 5305 OH2 TIP3 1109 18.762 -13.984 11.774 0.00 0.00 WAT1 ATOM 5306 H1 TIP3 1109 19.681 -14.106 12.010 0.00 0.00 WAT1 ATOM 5307 H2 TIP3 1109 18.312 -14.734 12.163 0.00 0.00 WAT1 ATOM 5308 OH2 TIP3 1110 18.287 -12.673 5.734 0.00 0.00 WAT1 ATOM 5309 H1 TIP3 1110 18.779 -12.894 4.944 0.00 0.00 WAT1 ATOM 5310 H2 TIP3 1110 18.649 -11.832 6.015 0.00 0.00 WAT1 ATOM 5311 OH2 TIP3 1111 18.600 -16.415 -0.211 0.00 0.00 WAT1 ATOM 5312 H1 TIP3 1111 17.675 -16.206 -0.341 0.00 0.00 WAT1 ATOM 5313 H2 TIP3 1111 19.054 -15.931 -0.901 0.00 0.00 WAT1 ATOM 5314 OH2 TIP3 1112 18.564 -17.677 8.133 0.00 0.00 WAT1 ATOM 5315 H1 TIP3 1112 17.899 -17.923 8.776 0.00 0.00 WAT1 ATOM 5316 H2 TIP3 1112 18.121 -17.055 7.556 0.00 0.00 WAT1 ATOM 5317 OH2 TIP3 1113 19.877 -18.372 -2.233 0.00 0.00 WAT1 ATOM 5318 H1 TIP3 1113 20.316 -17.761 -2.824 0.00 0.00 WAT1 ATOM 5319 H2 TIP3 1113 19.243 -17.834 -1.759 0.00 0.00 WAT1 ATOM 5320 OH2 TIP3 1114 21.738 -16.456 -3.790 0.00 0.00 WAT1 ATOM 5321 H1 TIP3 1114 22.229 -17.086 -4.318 0.00 0.00 WAT1 ATOM 5322 H2 TIP3 1114 22.361 -16.160 -3.127 0.00 0.00 WAT1 ATOM 5323 OH2 TIP3 1115 20.998 -17.656 11.481 0.00 0.00 WAT1 ATOM 5324 H1 TIP3 1115 20.632 -18.421 11.924 0.00 0.00 WAT1 ATOM 5325 H2 TIP3 1115 21.911 -17.627 11.768 0.00 0.00 WAT1 ATOM 5326 OH2 TIP3 1116 22.971 -18.305 13.017 0.00 0.00 WAT1 ATOM 5327 H1 TIP3 1116 23.870 -18.579 12.832 0.00 0.00 WAT1 ATOM 5328 H2 TIP3 1116 22.585 -19.048 13.481 0.00 0.00 WAT1 ATOM 5329 OH2 TIP3 1117 29.052 -9.759 24.197 0.00 0.00 WAT1 ATOM 5330 H1 TIP3 1117 29.014 -10.405 24.902 0.00 0.00 WAT1 ATOM 5331 H2 TIP3 1117 28.729 -10.225 23.426 0.00 0.00 WAT1 ATOM 5332 OH2 TIP3 1118 22.344 -5.694 24.325 0.00 0.00 WAT1 ATOM 5333 H1 TIP3 1118 21.974 -6.496 23.956 0.00 0.00 WAT1 ATOM 5334 H2 TIP3 1118 23.285 -5.863 24.372 0.00 0.00 WAT1 ATOM 5335 OH2 TIP3 1119 27.441 -7.326 24.603 0.00 0.00 WAT1 ATOM 5336 H1 TIP3 1119 27.745 -8.012 24.009 0.00 0.00 WAT1 ATOM 5337 H2 TIP3 1119 28.163 -7.208 25.221 0.00 0.00 WAT1 ATOM 5338 OH2 TIP3 1120 30.582 -12.932 24.931 0.00 0.00 WAT1 ATOM 5339 H1 TIP3 1120 30.725 -13.879 24.951 0.00 0.00 WAT1 ATOM 5340 H2 TIP3 1120 30.476 -12.725 24.002 0.00 0.00 WAT1 ATOM 5341 OH2 TIP3 1121 31.459 -14.700 20.604 0.00 0.00 WAT1 ATOM 5342 H1 TIP3 1121 32.105 -15.029 21.229 0.00 0.00 WAT1 ATOM 5343 H2 TIP3 1121 31.969 -14.182 19.981 0.00 0.00 WAT1 ATOM 5344 OH2 TIP3 1122 25.513 -10.884 22.181 0.00 0.00 WAT1 ATOM 5345 H1 TIP3 1122 26.129 -11.410 22.690 0.00 0.00 WAT1 ATOM 5346 H2 TIP3 1122 24.927 -11.524 21.777 0.00 0.00 WAT1 ATOM 5347 OH2 TIP3 1123 25.116 -8.237 26.565 0.00 0.00 WAT1 ATOM 5348 H1 TIP3 1123 24.376 -7.639 26.668 0.00 0.00 WAT1 ATOM 5349 H2 TIP3 1123 25.830 -7.683 26.249 0.00 0.00 WAT1 ATOM 5350 OH2 TIP3 1124 33.223 -15.409 22.585 0.00 0.00 WAT1 ATOM 5351 H1 TIP3 1124 33.008 -16.175 23.117 0.00 0.00 WAT1 ATOM 5352 H2 TIP3 1124 33.879 -14.937 23.098 0.00 0.00 WAT1 ATOM 5353 OH2 TIP3 1125 23.524 -6.273 27.352 0.00 0.00 WAT1 ATOM 5354 H1 TIP3 1125 23.518 -5.394 26.974 0.00 0.00 WAT1 ATOM 5355 H2 TIP3 1125 22.670 -6.356 27.777 0.00 0.00 WAT1 ATOM 5356 OH2 TIP3 1126 19.645 -6.602 18.134 0.00 0.00 WAT1 ATOM 5357 H1 TIP3 1126 19.373 -6.373 17.245 0.00 0.00 WAT1 ATOM 5358 H2 TIP3 1126 19.690 -5.764 18.594 0.00 0.00 WAT1 ATOM 5359 OH2 TIP3 1127 28.840 -9.770 18.230 0.00 0.00 WAT1 ATOM 5360 H1 TIP3 1127 28.128 -9.235 17.879 0.00 0.00 WAT1 ATOM 5361 H2 TIP3 1127 29.531 -9.714 17.570 0.00 0.00 WAT1 ATOM 5362 OH2 TIP3 1128 32.143 -11.386 28.250 0.00 0.00 WAT1 ATOM 5363 H1 TIP3 1128 32.223 -10.623 28.822 0.00 0.00 WAT1 ATOM 5364 H2 TIP3 1128 31.542 -11.107 27.559 0.00 0.00 WAT1 ATOM 5365 OH2 TIP3 1129 23.891 -8.930 21.065 0.00 0.00 WAT1 ATOM 5366 H1 TIP3 1129 23.561 -9.300 20.246 0.00 0.00 WAT1 ATOM 5367 H2 TIP3 1129 24.479 -9.600 21.411 0.00 0.00 WAT1 ATOM 5368 OH2 TIP3 1130 25.258 -5.502 23.746 0.00 0.00 WAT1 ATOM 5369 H1 TIP3 1130 25.163 -6.080 22.989 0.00 0.00 WAT1 ATOM 5370 H2 TIP3 1130 25.987 -5.873 24.242 0.00 0.00 WAT1 ATOM 5371 OH2 TIP3 1131 25.138 -5.762 29.415 0.00 0.00 WAT1 ATOM 5372 H1 TIP3 1131 24.826 -4.980 29.871 0.00 0.00 WAT1 ATOM 5373 H2 TIP3 1131 24.488 -5.915 28.729 0.00 0.00 WAT1 ATOM 5374 OH2 TIP3 1132 23.377 -3.690 30.179 0.00 0.00 WAT1 ATOM 5375 H1 TIP3 1132 23.385 -3.826 29.231 0.00 0.00 WAT1 ATOM 5376 H2 TIP3 1132 22.461 -3.808 30.431 0.00 0.00 WAT1 ATOM 5377 OH2 TIP3 1133 22.881 -9.860 18.654 0.00 0.00 WAT1 ATOM 5378 H1 TIP3 1133 22.589 -9.092 18.163 0.00 0.00 WAT1 ATOM 5379 H2 TIP3 1133 22.207 -10.520 18.491 0.00 0.00 WAT1 ATOM 5380 OH2 TIP3 1134 18.725 -4.717 24.353 0.00 0.00 WAT1 ATOM 5381 H1 TIP3 1134 19.671 -4.861 24.334 0.00 0.00 WAT1 ATOM 5382 H2 TIP3 1134 18.612 -3.933 24.890 0.00 0.00 WAT1 ATOM 5383 OH2 TIP3 1135 27.901 -4.477 28.911 0.00 0.00 WAT1 ATOM 5384 H1 TIP3 1135 27.988 -3.651 29.386 0.00 0.00 WAT1 ATOM 5385 H2 TIP3 1135 27.037 -4.807 29.160 0.00 0.00 WAT1 ATOM 5386 OH2 TIP3 1136 34.074 -12.558 30.515 0.00 0.00 WAT1 ATOM 5387 H1 TIP3 1136 33.667 -12.077 29.795 0.00 0.00 WAT1 ATOM 5388 H2 TIP3 1136 34.115 -13.463 30.208 0.00 0.00 WAT1 ATOM 5389 OH2 TIP3 1137 28.505 -17.982 27.882 0.00 0.00 WAT1 ATOM 5390 H1 TIP3 1137 28.925 -18.397 28.635 0.00 0.00 WAT1 ATOM 5391 H2 TIP3 1137 27.572 -18.160 27.999 0.00 0.00 WAT1 ATOM 5392 OH2 TIP3 1138 31.831 -14.226 28.736 0.00 0.00 WAT1 ATOM 5393 H1 TIP3 1138 31.317 -14.352 29.533 0.00 0.00 WAT1 ATOM 5394 H2 TIP3 1138 31.676 -13.314 28.491 0.00 0.00 WAT1 ATOM 5395 OH2 TIP3 1139 28.167 -15.489 15.167 0.00 0.00 WAT1 ATOM 5396 H1 TIP3 1139 27.913 -15.470 16.090 0.00 0.00 WAT1 ATOM 5397 H2 TIP3 1139 27.910 -16.361 14.866 0.00 0.00 WAT1 ATOM 5398 OH2 TIP3 1140 29.466 -12.101 19.332 0.00 0.00 WAT1 ATOM 5399 H1 TIP3 1140 29.057 -11.286 19.040 0.00 0.00 WAT1 ATOM 5400 H2 TIP3 1140 30.186 -12.241 18.717 0.00 0.00 WAT1 ATOM 5401 OH2 TIP3 1141 30.470 -12.655 22.146 0.00 0.00 WAT1 ATOM 5402 H1 TIP3 1141 30.275 -12.050 21.431 0.00 0.00 WAT1 ATOM 5403 H2 TIP3 1141 30.652 -13.489 21.711 0.00 0.00 WAT1 ATOM 5404 OH2 TIP3 1142 25.049 -15.044 14.268 0.00 0.00 WAT1 ATOM 5405 H1 TIP3 1142 24.618 -15.489 14.998 0.00 0.00 WAT1 ATOM 5406 H2 TIP3 1142 24.331 -14.672 13.756 0.00 0.00 WAT1 ATOM 5407 OH2 TIP3 1143 30.917 -15.855 24.865 0.00 0.00 WAT1 ATOM 5408 H1 TIP3 1143 30.240 -15.724 25.529 0.00 0.00 WAT1 ATOM 5409 H2 TIP3 1143 30.431 -16.010 24.055 0.00 0.00 WAT1 ATOM 5410 OH2 TIP3 1144 23.667 -12.266 15.651 0.00 0.00 WAT1 ATOM 5411 H1 TIP3 1144 23.125 -12.646 14.960 0.00 0.00 WAT1 ATOM 5412 H2 TIP3 1144 24.501 -12.072 15.222 0.00 0.00 WAT1 ATOM 5413 OH2 TIP3 1145 21.802 -7.709 30.750 0.00 0.00 WAT1 ATOM 5414 H1 TIP3 1145 22.535 -7.455 31.311 0.00 0.00 WAT1 ATOM 5415 H2 TIP3 1145 21.022 -7.505 31.265 0.00 0.00 WAT1 ATOM 5416 OH2 TIP3 1146 27.832 -12.302 23.488 0.00 0.00 WAT1 ATOM 5417 H1 TIP3 1146 28.396 -12.849 22.941 0.00 0.00 WAT1 ATOM 5418 H2 TIP3 1146 27.684 -12.824 24.277 0.00 0.00 WAT1 ATOM 5419 OH2 TIP3 1147 34.152 -8.568 26.373 0.00 0.00 WAT1 ATOM 5420 H1 TIP3 1147 34.794 -8.111 25.830 0.00 0.00 WAT1 ATOM 5421 H2 TIP3 1147 33.322 -8.455 25.911 0.00 0.00 WAT1 ATOM 5422 OH2 TIP3 1148 28.522 -7.517 28.824 0.00 0.00 WAT1 ATOM 5423 H1 TIP3 1148 28.176 -7.898 29.630 0.00 0.00 WAT1 ATOM 5424 H2 TIP3 1148 28.322 -6.583 28.895 0.00 0.00 WAT1 ATOM 5425 OH2 TIP3 1149 30.772 -5.055 28.774 0.00 0.00 WAT1 ATOM 5426 H1 TIP3 1149 29.871 -4.872 28.506 0.00 0.00 WAT1 ATOM 5427 H2 TIP3 1149 30.806 -4.796 29.695 0.00 0.00 WAT1 ATOM 5428 OH2 TIP3 1150 31.959 -9.216 24.628 0.00 0.00 WAT1 ATOM 5429 H1 TIP3 1150 31.031 -9.448 24.601 0.00 0.00 WAT1 ATOM 5430 H2 TIP3 1150 32.410 -9.993 24.298 0.00 0.00 WAT1 ATOM 5431 OH2 TIP3 1151 20.257 -10.026 15.348 0.00 0.00 WAT1 ATOM 5432 H1 TIP3 1151 20.873 -9.399 15.727 0.00 0.00 WAT1 ATOM 5433 H2 TIP3 1151 19.395 -9.710 15.619 0.00 0.00 WAT1 ATOM 5434 OH2 TIP3 1152 25.929 -7.225 20.337 0.00 0.00 WAT1 ATOM 5435 H1 TIP3 1152 25.688 -6.300 20.379 0.00 0.00 WAT1 ATOM 5436 H2 TIP3 1152 25.189 -7.684 20.733 0.00 0.00 WAT1 ATOM 5437 OH2 TIP3 1153 29.988 -6.977 26.353 0.00 0.00 WAT1 ATOM 5438 H1 TIP3 1153 29.562 -7.204 27.179 0.00 0.00 WAT1 ATOM 5439 H2 TIP3 1153 30.569 -7.715 26.170 0.00 0.00 WAT1 ATOM 5440 OH2 TIP3 1154 20.420 -3.387 26.664 0.00 0.00 WAT1 ATOM 5441 H1 TIP3 1154 20.637 -4.319 26.633 0.00 0.00 WAT1 ATOM 5442 H2 TIP3 1154 20.667 -3.113 27.548 0.00 0.00 WAT1 ATOM 5443 OH2 TIP3 1155 21.672 -8.113 16.840 0.00 0.00 WAT1 ATOM 5444 H1 TIP3 1155 20.986 -7.761 17.407 0.00 0.00 WAT1 ATOM 5445 H2 TIP3 1155 22.195 -7.350 16.594 0.00 0.00 WAT1 ATOM 5446 OH2 TIP3 1156 29.504 -15.451 27.119 0.00 0.00 WAT1 ATOM 5447 H1 TIP3 1156 30.202 -15.377 27.769 0.00 0.00 WAT1 ATOM 5448 H2 TIP3 1156 29.123 -16.315 27.274 0.00 0.00 WAT1 ATOM 5449 OH2 TIP3 1157 30.288 -15.799 18.216 0.00 0.00 WAT1 ATOM 5450 H1 TIP3 1157 30.508 -15.327 17.413 0.00 0.00 WAT1 ATOM 5451 H2 TIP3 1157 30.846 -15.404 18.887 0.00 0.00 WAT1 ATOM 5452 OH2 TIP3 1158 34.228 -15.178 29.071 0.00 0.00 WAT1 ATOM 5453 H1 TIP3 1158 33.312 -14.915 28.983 0.00 0.00 WAT1 ATOM 5454 H2 TIP3 1158 34.564 -15.181 28.174 0.00 0.00 WAT1 ATOM 5455 OH2 TIP3 1159 32.830 -11.427 23.167 0.00 0.00 WAT1 ATOM 5456 H1 TIP3 1159 32.033 -11.842 22.838 0.00 0.00 WAT1 ATOM 5457 H2 TIP3 1159 33.275 -12.118 23.658 0.00 0.00 WAT1 ATOM 5458 OH2 TIP3 1160 20.604 -12.835 14.853 0.00 0.00 WAT1 ATOM 5459 H1 TIP3 1160 20.559 -11.896 15.032 0.00 0.00 WAT1 ATOM 5460 H2 TIP3 1160 19.716 -13.071 14.583 0.00 0.00 WAT1 ATOM 5461 OH2 TIP3 1161 19.538 -7.690 31.971 0.00 0.00 WAT1 ATOM 5462 H1 TIP3 1161 19.682 -8.592 31.685 0.00 0.00 WAT1 ATOM 5463 H2 TIP3 1161 18.765 -7.404 31.483 0.00 0.00 WAT1 ATOM 5464 OH2 TIP3 1162 26.193 -7.720 31.404 0.00 0.00 WAT1 ATOM 5465 H1 TIP3 1162 25.865 -7.449 30.546 0.00 0.00 WAT1 ATOM 5466 H2 TIP3 1162 26.345 -8.661 31.316 0.00 0.00 WAT1 ATOM 5467 OH2 TIP3 1163 31.928 -7.804 28.787 0.00 0.00 WAT1 ATOM 5468 H1 TIP3 1163 32.673 -7.216 28.667 0.00 0.00 WAT1 ATOM 5469 H2 TIP3 1163 31.171 -7.222 28.850 0.00 0.00 WAT1 ATOM 5470 OH2 TIP3 1164 25.028 -9.374 16.409 0.00 0.00 WAT1 ATOM 5471 H1 TIP3 1164 24.569 -9.858 17.095 0.00 0.00 WAT1 ATOM 5472 H2 TIP3 1164 25.283 -10.042 15.773 0.00 0.00 WAT1 ATOM 5473 OH2 TIP3 1165 29.337 -9.010 32.043 0.00 0.00 WAT1 ATOM 5474 H1 TIP3 1165 30.290 -8.926 32.015 0.00 0.00 WAT1 ATOM 5475 H2 TIP3 1165 29.177 -9.721 32.662 0.00 0.00 WAT1 ATOM 5476 OH2 TIP3 1166 31.067 -12.502 32.608 0.00 0.00 WAT1 ATOM 5477 H1 TIP3 1166 31.259 -13.433 32.497 0.00 0.00 WAT1 ATOM 5478 H2 TIP3 1166 31.924 -12.077 32.598 0.00 0.00 WAT1 ATOM 5479 OH2 TIP3 1167 32.383 -9.713 30.686 0.00 0.00 WAT1 ATOM 5480 H1 TIP3 1167 32.102 -9.004 30.108 0.00 0.00 WAT1 ATOM 5481 H2 TIP3 1167 33.326 -9.786 30.535 0.00 0.00 WAT1 ATOM 5482 OH2 TIP3 1168 25.875 -18.300 27.772 0.00 0.00 WAT1 ATOM 5483 H1 TIP3 1168 25.777 -17.353 27.666 0.00 0.00 WAT1 ATOM 5484 H2 TIP3 1168 25.132 -18.672 27.296 0.00 0.00 WAT1 ATOM 5485 OH2 TIP3 1169 29.855 -14.851 30.411 0.00 0.00 WAT1 ATOM 5486 H1 TIP3 1169 28.907 -14.819 30.543 0.00 0.00 WAT1 ATOM 5487 H2 TIP3 1169 30.167 -15.476 31.065 0.00 0.00 WAT1 ATOM 5488 OH2 TIP3 1170 31.489 -16.217 32.416 0.00 0.00 WAT1 ATOM 5489 H1 TIP3 1170 31.392 -17.169 32.410 0.00 0.00 WAT1 ATOM 5490 H2 TIP3 1170 31.167 -15.948 33.277 0.00 0.00 WAT1 ATOM 5491 OH2 TIP3 1171 26.097 -19.006 30.443 0.00 0.00 WAT1 ATOM 5492 H1 TIP3 1171 26.809 -19.646 30.429 0.00 0.00 WAT1 ATOM 5493 H2 TIP3 1171 25.996 -18.739 29.529 0.00 0.00 WAT1 ATOM 5494 OH2 TIP3 1172 26.450 -17.323 32.497 0.00 0.00 WAT1 ATOM 5495 H1 TIP3 1172 26.319 -17.799 31.676 0.00 0.00 WAT1 ATOM 5496 H2 TIP3 1172 25.851 -16.579 32.441 0.00 0.00 WAT1 ATOM 5497 OH2 TIP3 1173 34.480 -12.432 27.153 0.00 0.00 WAT1 ATOM 5498 H1 TIP3 1173 33.637 -12.164 27.519 0.00 0.00 WAT1 ATOM 5499 H2 TIP3 1173 34.923 -11.610 26.942 0.00 0.00 WAT1 ATOM 5500 OH2 TIP3 1174 20.756 -4.502 31.133 0.00 0.00 WAT1 ATOM 5501 H1 TIP3 1174 19.935 -4.327 30.673 0.00 0.00 WAT1 ATOM 5502 H2 TIP3 1174 20.504 -4.575 32.054 0.00 0.00 WAT1 ATOM 5503 OH2 TIP3 1175 23.710 -3.527 27.392 0.00 0.00 WAT1 ATOM 5504 H1 TIP3 1175 23.285 -2.718 27.109 0.00 0.00 WAT1 ATOM 5505 H2 TIP3 1175 24.615 -3.442 27.090 0.00 0.00 WAT1 ATOM 5506 OH2 TIP3 1176 22.668 -2.938 23.005 0.00 0.00 WAT1 ATOM 5507 H1 TIP3 1176 22.449 -3.854 23.174 0.00 0.00 WAT1 ATOM 5508 H2 TIP3 1176 23.492 -2.798 23.471 0.00 0.00 WAT1 ATOM 5509 OH2 TIP3 1177 31.177 -18.213 22.282 0.00 0.00 WAT1 ATOM 5510 H1 TIP3 1177 31.253 -18.118 21.333 0.00 0.00 WAT1 ATOM 5511 H2 TIP3 1177 30.901 -19.121 22.411 0.00 0.00 WAT1 ATOM 5512 OH2 TIP3 1178 21.738 -16.456 15.066 0.00 0.00 WAT1 ATOM 5513 H1 TIP3 1178 22.229 -17.086 14.538 0.00 0.00 WAT1 ATOM 5514 H2 TIP3 1178 22.361 -16.160 15.729 0.00 0.00 WAT1 ATOM 5515 OH2 TIP3 1179 26.764 -16.163 17.523 0.00 0.00 WAT1 ATOM 5516 H1 TIP3 1179 26.942 -16.809 18.206 0.00 0.00 WAT1 ATOM 5517 H2 TIP3 1179 26.710 -15.329 17.990 0.00 0.00 WAT1 ATOM 5518 OH2 TIP3 1180 18.954 -12.034 38.574 0.00 0.00 WAT1 ATOM 5519 H1 TIP3 1180 18.506 -11.188 38.556 0.00 0.00 WAT1 ATOM 5520 H2 TIP3 1180 18.393 -12.614 38.059 0.00 0.00 WAT1 ATOM 5521 OH2 TIP3 1181 19.664 -9.872 40.700 0.00 0.00 WAT1 ATOM 5522 H1 TIP3 1181 19.878 -10.642 41.227 0.00 0.00 WAT1 ATOM 5523 H2 TIP3 1181 20.402 -9.783 40.097 0.00 0.00 WAT1 ATOM 5524 OH2 TIP3 1182 31.459 -14.700 39.460 0.00 0.00 WAT1 ATOM 5525 H1 TIP3 1182 32.105 -15.029 40.085 0.00 0.00 WAT1 ATOM 5526 H2 TIP3 1182 31.969 -14.182 38.837 0.00 0.00 WAT1 ATOM 5527 OH2 TIP3 1183 20.357 -12.434 41.821 0.00 0.00 WAT1 ATOM 5528 H1 TIP3 1183 21.011 -12.984 42.253 0.00 0.00 WAT1 ATOM 5529 H2 TIP3 1183 20.381 -12.708 40.905 0.00 0.00 WAT1 ATOM 5530 OH2 TIP3 1184 25.513 -10.884 41.037 0.00 0.00 WAT1 ATOM 5531 H1 TIP3 1184 26.129 -11.410 41.546 0.00 0.00 WAT1 ATOM 5532 H2 TIP3 1184 24.927 -11.524 40.633 0.00 0.00 WAT1 ATOM 5533 OH2 TIP3 1185 22.547 -15.913 45.133 0.00 0.00 WAT1 ATOM 5534 H1 TIP3 1185 22.328 -15.383 44.367 0.00 0.00 WAT1 ATOM 5535 H2 TIP3 1185 21.879 -15.686 45.781 0.00 0.00 WAT1 ATOM 5536 OH2 TIP3 1186 22.141 -14.021 43.086 0.00 0.00 WAT1 ATOM 5537 H1 TIP3 1186 22.754 -13.388 43.459 0.00 0.00 WAT1 ATOM 5538 H2 TIP3 1186 22.653 -14.493 42.429 0.00 0.00 WAT1 ATOM 5539 OH2 TIP3 1187 19.645 -6.602 36.990 0.00 0.00 WAT1 ATOM 5540 H1 TIP3 1187 19.373 -6.373 36.101 0.00 0.00 WAT1 ATOM 5541 H2 TIP3 1187 19.690 -5.764 37.450 0.00 0.00 WAT1 ATOM 5542 OH2 TIP3 1188 26.573 -18.607 42.586 0.00 0.00 WAT1 ATOM 5543 H1 TIP3 1188 26.456 -19.556 42.532 0.00 0.00 WAT1 ATOM 5544 H2 TIP3 1188 25.718 -18.275 42.859 0.00 0.00 WAT1 ATOM 5545 OH2 TIP3 1189 28.840 -9.770 37.086 0.00 0.00 WAT1 ATOM 5546 H1 TIP3 1189 28.128 -9.235 36.735 0.00 0.00 WAT1 ATOM 5547 H2 TIP3 1189 29.531 -9.714 36.426 0.00 0.00 WAT1 ATOM 5548 OH2 TIP3 1190 28.894 -11.312 34.125 0.00 0.00 WAT1 ATOM 5549 H1 TIP3 1190 29.595 -11.290 34.776 0.00 0.00 WAT1 ATOM 5550 H2 TIP3 1190 29.196 -11.940 33.469 0.00 0.00 WAT1 ATOM 5551 OH2 TIP3 1191 23.891 -8.930 39.921 0.00 0.00 WAT1 ATOM 5552 H1 TIP3 1191 23.561 -9.300 39.102 0.00 0.00 WAT1 ATOM 5553 H2 TIP3 1191 24.479 -9.600 40.267 0.00 0.00 WAT1 ATOM 5554 OH2 TIP3 1192 31.117 -10.398 35.723 0.00 0.00 WAT1 ATOM 5555 H1 TIP3 1192 31.696 -10.248 36.470 0.00 0.00 WAT1 ATOM 5556 H2 TIP3 1192 31.531 -9.927 35.000 0.00 0.00 WAT1 ATOM 5557 OH2 TIP3 1193 22.881 -9.860 37.510 0.00 0.00 WAT1 ATOM 5558 H1 TIP3 1193 22.589 -9.092 37.019 0.00 0.00 WAT1 ATOM 5559 H2 TIP3 1193 22.207 -10.520 37.347 0.00 0.00 WAT1 ATOM 5560 OH2 TIP3 1194 23.842 -17.704 43.364 0.00 0.00 WAT1 ATOM 5561 H1 TIP3 1194 22.981 -17.791 42.956 0.00 0.00 WAT1 ATOM 5562 H2 TIP3 1194 23.820 -16.848 43.791 0.00 0.00 WAT1 ATOM 5563 OH2 TIP3 1195 32.594 -9.365 33.353 0.00 0.00 WAT1 ATOM 5564 H1 TIP3 1195 32.636 -9.588 32.423 0.00 0.00 WAT1 ATOM 5565 H2 TIP3 1195 33.443 -8.967 33.543 0.00 0.00 WAT1 ATOM 5566 OH2 TIP3 1196 28.167 -15.489 34.023 0.00 0.00 WAT1 ATOM 5567 H1 TIP3 1196 27.913 -15.470 34.946 0.00 0.00 WAT1 ATOM 5568 H2 TIP3 1196 27.910 -16.361 33.722 0.00 0.00 WAT1 ATOM 5569 OH2 TIP3 1197 23.933 -12.738 44.459 0.00 0.00 WAT1 ATOM 5570 H1 TIP3 1197 23.291 -12.779 45.168 0.00 0.00 WAT1 ATOM 5571 H2 TIP3 1197 23.970 -11.812 44.221 0.00 0.00 WAT1 ATOM 5572 OH2 TIP3 1198 29.466 -12.101 38.188 0.00 0.00 WAT1 ATOM 5573 H1 TIP3 1198 29.057 -11.286 37.896 0.00 0.00 WAT1 ATOM 5574 H2 TIP3 1198 30.186 -12.241 37.573 0.00 0.00 WAT1 ATOM 5575 OH2 TIP3 1199 30.470 -12.655 41.002 0.00 0.00 WAT1 ATOM 5576 H1 TIP3 1199 30.275 -12.050 40.287 0.00 0.00 WAT1 ATOM 5577 H2 TIP3 1199 30.652 -13.489 40.567 0.00 0.00 WAT1 ATOM 5578 OH2 TIP3 1200 18.291 -15.302 40.176 0.00 0.00 WAT1 ATOM 5579 H1 TIP3 1200 18.922 -15.331 40.896 0.00 0.00 WAT1 ATOM 5580 H2 TIP3 1200 18.741 -15.727 39.446 0.00 0.00 WAT1 ATOM 5581 OH2 TIP3 1201 27.832 -12.302 42.344 0.00 0.00 WAT1 ATOM 5582 H1 TIP3 1201 28.396 -12.849 41.797 0.00 0.00 WAT1 ATOM 5583 H2 TIP3 1201 27.684 -12.824 43.133 0.00 0.00 WAT1 ATOM 5584 OH2 TIP3 1202 26.458 -13.914 44.758 0.00 0.00 WAT1 ATOM 5585 H1 TIP3 1202 25.623 -13.460 44.868 0.00 0.00 WAT1 ATOM 5586 H2 TIP3 1202 26.982 -13.638 45.510 0.00 0.00 WAT1 ATOM 5587 OH2 TIP3 1203 27.002 -7.701 36.443 0.00 0.00 WAT1 ATOM 5588 H1 TIP3 1203 26.258 -8.208 36.120 0.00 0.00 WAT1 ATOM 5589 H2 TIP3 1203 26.868 -7.652 37.389 0.00 0.00 WAT1 ATOM 5590 OH2 TIP3 1204 30.900 -14.887 34.642 0.00 0.00 WAT1 ATOM 5591 H1 TIP3 1204 29.962 -14.775 34.491 0.00 0.00 WAT1 ATOM 5592 H2 TIP3 1204 31.197 -14.030 34.948 0.00 0.00 WAT1 ATOM 5593 OH2 TIP3 1205 31.618 -13.020 36.303 0.00 0.00 WAT1 ATOM 5594 H1 TIP3 1205 32.510 -13.157 36.622 0.00 0.00 WAT1 ATOM 5595 H2 TIP3 1205 31.675 -12.229 35.766 0.00 0.00 WAT1 ATOM 5596 OH2 TIP3 1206 26.282 -4.936 32.730 0.00 0.00 WAT1 ATOM 5597 H1 TIP3 1206 26.521 -5.684 32.182 0.00 0.00 WAT1 ATOM 5598 H2 TIP3 1206 26.013 -5.324 33.562 0.00 0.00 WAT1 ATOM 5599 OH2 TIP3 1207 25.219 -5.366 35.186 0.00 0.00 WAT1 ATOM 5600 H1 TIP3 1207 25.366 -5.886 35.976 0.00 0.00 WAT1 ATOM 5601 H2 TIP3 1207 25.216 -4.459 35.492 0.00 0.00 WAT1 ATOM 5602 OH2 TIP3 1208 21.672 -8.113 35.696 0.00 0.00 WAT1 ATOM 5603 H1 TIP3 1208 20.986 -7.761 36.263 0.00 0.00 WAT1 ATOM 5604 H2 TIP3 1208 22.195 -7.350 35.450 0.00 0.00 WAT1 ATOM 5605 OH2 TIP3 1209 30.288 -15.799 37.072 0.00 0.00 WAT1 ATOM 5606 H1 TIP3 1209 30.508 -15.327 36.269 0.00 0.00 WAT1 ATOM 5607 H2 TIP3 1209 30.846 -15.404 37.743 0.00 0.00 WAT1 ATOM 5608 OH2 TIP3 1210 28.372 -16.990 38.845 0.00 0.00 WAT1 ATOM 5609 H1 TIP3 1210 28.025 -16.372 39.490 0.00 0.00 WAT1 ATOM 5610 H2 TIP3 1210 29.030 -16.489 38.364 0.00 0.00 WAT1 ATOM 5611 OH2 TIP3 1211 22.288 -5.499 34.593 0.00 0.00 WAT1 ATOM 5612 H1 TIP3 1211 22.880 -4.800 34.869 0.00 0.00 WAT1 ATOM 5613 H2 TIP3 1211 22.747 -5.932 33.874 0.00 0.00 WAT1 ATOM 5614 OH2 TIP3 1212 21.412 -18.053 42.382 0.00 0.00 WAT1 ATOM 5615 H1 TIP3 1212 21.183 -17.994 41.455 0.00 0.00 WAT1 ATOM 5616 H2 TIP3 1212 20.969 -18.845 42.689 0.00 0.00 WAT1 ATOM 5617 OH2 TIP3 1213 23.879 -7.346 32.959 0.00 0.00 WAT1 ATOM 5618 H1 TIP3 1213 23.943 -8.140 33.490 0.00 0.00 WAT1 ATOM 5619 H2 TIP3 1213 24.532 -7.465 32.270 0.00 0.00 WAT1 ATOM 5620 OH2 TIP3 1214 29.231 -6.299 32.695 0.00 0.00 WAT1 ATOM 5621 H1 TIP3 1214 28.963 -6.119 33.596 0.00 0.00 WAT1 ATOM 5622 H2 TIP3 1214 29.025 -7.225 32.564 0.00 0.00 WAT1 ATOM 5623 OH2 TIP3 1215 25.028 -9.374 35.265 0.00 0.00 WAT1 ATOM 5624 H1 TIP3 1215 24.569 -9.858 35.951 0.00 0.00 WAT1 ATOM 5625 H2 TIP3 1215 25.283 -10.042 34.629 0.00 0.00 WAT1 ATOM 5626 OH2 TIP3 1216 26.099 -11.131 33.528 0.00 0.00 WAT1 ATOM 5627 H1 TIP3 1216 25.919 -11.285 32.600 0.00 0.00 WAT1 ATOM 5628 H2 TIP3 1216 27.050 -11.023 33.572 0.00 0.00 WAT1 ATOM 5629 OH2 TIP3 1217 19.565 -5.804 34.012 0.00 0.00 WAT1 ATOM 5630 H1 TIP3 1217 20.479 -5.725 34.285 0.00 0.00 WAT1 ATOM 5631 H2 TIP3 1217 19.572 -6.491 33.345 0.00 0.00 WAT1 ATOM 5632 OH2 TIP3 1218 19.983 -15.672 42.377 0.00 0.00 WAT1 ATOM 5633 H1 TIP3 1218 20.428 -16.464 42.679 0.00 0.00 WAT1 ATOM 5634 H2 TIP3 1218 20.449 -14.956 42.808 0.00 0.00 WAT1 ATOM 5635 OH2 TIP3 1219 28.714 -16.804 41.854 0.00 0.00 WAT1 ATOM 5636 H1 TIP3 1219 28.039 -17.433 42.109 0.00 0.00 WAT1 ATOM 5637 H2 TIP3 1219 29.278 -17.288 41.251 0.00 0.00 WAT1 ATOM 5638 OH2 TIP3 1220 31.177 -18.213 41.138 0.00 0.00 WAT1 ATOM 5639 H1 TIP3 1220 31.253 -18.118 40.189 0.00 0.00 WAT1 ATOM 5640 H2 TIP3 1220 30.901 -19.121 41.267 0.00 0.00 WAT1 END