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 14:06:13 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 5.844 -18.349 0.983 1.00 44.11 ATOM 2 CB MET 1 4.934 -20.240 1.405 1.00 25.14 ATOM 3 HB1 MET 1 5.186 -20.225 2.458 1.00 37.41 ATOM 4 HB2 MET 1 5.020 -21.256 1.040 1.00 71.32 ATOM 5 CG MET 1 3.492 -19.782 1.260 1.00 44.04 ATOM 6 HG1 MET 1 3.314 -19.412 0.265 1.00 37.41 ATOM 7 HG2 MET 1 3.313 -18.988 1.968 1.00 64.15 ATOM 8 SD MET 1 2.308 -21.103 1.582 1.00 41.22 ATOM 9 CE MET 1 0.760 -20.222 1.395 1.00 33.12 ATOM 10 HE1 MET 1 0.695 -19.817 0.396 1.00 61.42 ATOM 11 HE2 MET 1 0.715 -19.417 2.113 1.00 51.11 ATOM 12 HE3 MET 1 -0.063 -20.901 1.563 1.00 21.24 ATOM 13 C MET 1 7.355 -19.851 0.909 1.00 4.42 ATOM 14 O MET 1 7.635 -20.437 1.954 1.00 3.31 ATOM 15 N MET 1 5.637 -19.397 -0.788 1.00 43.41 ATOM 16 HT1 MET 1 5.784 -20.354 -1.180 1.00 37.41 ATOM 17 HT2 MET 1 6.248 -18.730 -1.299 1.00 37.41 ATOM 18 HT3 MET 1 4.660 -19.112 -0.979 1.00 37.41 ATOM 19 CA MET 1 5.933 -19.370 0.640 1.00 60.04 ATOM 20 N GLY 2 8.251 -19.599 -0.041 1.00 12.41 ATOM 21 HN GLY 2 8.006 -19.107 -0.847 1.00 37.41 ATOM 22 CA GLY 2 9.633 -20.013 0.114 1.00 60.04 ATOM 23 HA1 GLY 2 10.007 -20.315 -0.853 1.00 37.41 ATOM 24 HA2 GLY 2 9.701 -20.861 0.785 1.00 43.12 ATOM 25 C GLY 2 10.517 -18.899 0.639 1.00 60.25 ATOM 26 O GLY 2 11.673 -18.772 0.235 1.00 44.22 ATOM 27 N HIS 3 9.972 -18.089 1.540 1.00 3.44 ATOM 28 HN HIS 3 9.058 -18.233 1.852 1.00 37.41 ATOM 29 CA HIS 3 10.719 -16.978 2.121 1.00 65.43 ATOM 30 HA HIS 3 11.719 -16.959 1.701 1.00 74.24 ATOM 31 CB HIS 3 10.029 -15.651 1.805 1.00 31.24 ATOM 32 HB1 HIS 3 10.444 -14.866 2.425 1.00 37.41 ATOM 33 HB2 HIS 3 8.975 -15.744 2.011 1.00 34.20 ATOM 34 CG HIS 3 10.177 -15.223 0.378 1.00 73.43 ATOM 35 ND1 HIS 3 9.486 -14.160 -0.165 1.00 25.03 ATOM 36 HD1 HIS 3 8.845 -13.591 0.310 1.00 60.43 ATOM 37 CD2 HIS 3 10.943 -15.721 -0.621 1.00 31.41 ATOM 38 HD2 HIS 3 11.632 -16.545 -0.550 1.00 72.23 ATOM 39 CE1 HIS 3 9.820 -14.023 -1.436 1.00 23.54 ATOM 40 HE1 HIS 3 9.437 -13.273 -2.113 1.00 14.10 ATOM 41 NE2 HIS 3 10.703 -14.958 -1.737 1.00 61.53 ATOM 42 HE2 HIS 3 11.182 -15.029 -2.589 1.00 37.41 ATOM 43 C HIS 3 10.858 -17.147 3.631 1.00 61.23 ATOM 44 O HIS 3 10.090 -17.878 4.257 1.00 23.31 ATOM 45 N HIS 4 11.843 -16.467 4.209 1.00 14.15 ATOM 46 HN HIS 4 12.421 -15.889 3.655 1.00 37.41 ATOM 47 CA HIS 4 12.082 -16.542 5.646 1.00 11.14 ATOM 48 HA HIS 4 12.042 -17.587 5.942 1.00 52.21 ATOM 49 CB HIS 4 13.467 -15.988 5.984 1.00 73.43 ATOM 50 HB1 HIS 4 13.528 -15.778 7.046 1.00 37.41 ATOM 51 HB2 HIS 4 13.628 -15.073 5.434 1.00 23.35 ATOM 52 CG HIS 4 14.585 -16.927 5.648 1.00 52.42 ATOM 53 ND1 HIS 4 14.486 -17.896 4.672 1.00 44.11 ATOM 54 HD1 HIS 4 13.707 -18.076 4.112 1.00 12.34 ATOM 55 CD2 HIS 4 15.831 -17.039 6.163 1.00 3.12 ATOM 56 HD2 HIS 4 16.255 -16.434 6.952 1.00 43.44 ATOM 57 CE1 HIS 4 15.623 -18.565 4.603 1.00 45.11 ATOM 58 HE1 HIS 4 15.835 -19.382 3.929 1.00 54.22 ATOM 59 NE2 HIS 4 16.457 -18.064 5.497 1.00 34.12 ATOM 60 HE2 HIS 4 17.333 -18.439 5.724 1.00 37.41 ATOM 61 C HIS 4 11.012 -15.773 6.416 1.00 3.21 ATOM 62 O HIS 4 11.077 -14.549 6.535 1.00 45.25 ATOM 63 N HIS 5 10.028 -16.499 6.937 1.00 0.41 ATOM 64 HN HIS 5 10.029 -17.478 6.821 1.00 37.41 ATOM 65 CA HIS 5 8.944 -15.884 7.695 1.00 20.34 ATOM 66 HA HIS 5 8.981 -14.808 7.564 1.00 33.24 ATOM 67 CB HIS 5 7.591 -16.383 7.187 1.00 61.10 ATOM 68 HB1 HIS 5 6.800 -15.956 7.790 1.00 37.41 ATOM 69 HB2 HIS 5 7.557 -17.459 7.268 1.00 33.53 ATOM 70 CG HIS 5 7.318 -16.023 5.759 1.00 21.01 ATOM 71 ND1 HIS 5 6.510 -16.776 4.934 1.00 35.33 ATOM 72 HD1 HIS 5 6.044 -17.600 5.186 1.00 54.24 ATOM 73 CD2 HIS 5 7.750 -14.981 5.011 1.00 63.45 ATOM 74 HD2 HIS 5 8.404 -14.185 5.338 1.00 53.52 ATOM 75 CE1 HIS 5 6.458 -16.215 3.740 1.00 54.42 ATOM 76 HE1 HIS 5 5.901 -16.585 2.892 1.00 3.42 ATOM 77 NE2 HIS 5 7.202 -15.123 3.760 1.00 74.53 ATOM 78 HE2 HIS 5 7.261 -14.466 3.035 1.00 37.41 ATOM 79 C HIS 5 9.084 -16.186 9.185 1.00 52.25 ATOM 80 O HIS 5 9.783 -17.121 9.576 1.00 32.01 ATOM 81 N HIS 6 8.415 -15.387 10.010 1.00 22.35 ATOM 82 HN HIS 6 7.875 -14.650 9.635 1.00 37.41 ATOM 83 CA HIS 6 8.465 -15.569 11.457 1.00 42.11 ATOM 84 HA HIS 6 9.474 -15.355 11.785 1.00 4.54 ATOM 85 CB HIS 6 7.493 -14.611 12.146 1.00 4.33 ATOM 86 HB1 HIS 6 7.271 -14.970 13.145 1.00 37.41 ATOM 87 HB2 HIS 6 6.575 -14.564 11.578 1.00 30.35 ATOM 88 CG HIS 6 8.020 -13.215 12.278 1.00 45.12 ATOM 89 ND1 HIS 6 8.354 -12.648 13.489 1.00 4.44 ATOM 90 HD1 HIS 6 8.283 -13.084 14.364 1.00 11.20 ATOM 91 CD2 HIS 6 8.272 -12.272 11.340 1.00 5.22 ATOM 92 HD2 HIS 6 8.126 -12.373 10.274 1.00 45.14 ATOM 93 CE1 HIS 6 8.787 -11.415 13.292 1.00 63.34 ATOM 94 HE1 HIS 6 9.118 -10.731 14.059 1.00 32.51 ATOM 95 NE2 HIS 6 8.748 -11.163 11.996 1.00 51.23 ATOM 96 HE2 HIS 6 9.100 -10.355 11.567 1.00 37.41 ATOM 97 C HIS 6 8.133 -17.009 11.835 1.00 13.05 ATOM 98 O HIS 6 8.802 -17.611 12.676 1.00 72.11 ATOM 99 N HIS 7 7.095 -17.556 11.210 1.00 14.44 ATOM 100 HN HIS 7 6.594 -17.032 10.542 1.00 37.41 ATOM 101 CA HIS 7 6.673 -18.925 11.482 1.00 23.32 ATOM 102 HA HIS 7 7.099 -19.249 12.425 1.00 53.51 ATOM 103 CB HIS 7 5.150 -19.000 11.596 1.00 44.23 ATOM 104 HB1 HIS 7 4.869 -19.992 11.920 1.00 37.41 ATOM 105 HB2 HIS 7 4.708 -18.804 10.628 1.00 72.00 ATOM 106 CG HIS 7 4.574 -18.019 12.570 1.00 73.31 ATOM 107 ND1 HIS 7 5.034 -17.884 13.863 1.00 54.22 ATOM 108 HD1 HIS 7 5.763 -18.399 14.268 1.00 14.10 ATOM 109 CD2 HIS 7 3.570 -17.122 12.433 1.00 15.04 ATOM 110 HD2 HIS 7 2.979 -16.952 11.544 1.00 74.30 ATOM 111 CE1 HIS 7 4.336 -16.947 14.480 1.00 42.21 ATOM 112 HE1 HIS 7 4.474 -16.626 15.502 1.00 11.35 ATOM 113 NE2 HIS 7 3.442 -16.468 13.634 1.00 34.22 ATOM 114 HE2 HIS 7 2.735 -15.829 13.862 1.00 37.41 ATOM 115 C HIS 7 7.161 -19.871 10.388 1.00 14.33 ATOM 116 O HIS 7 7.669 -19.432 9.356 1.00 24.50 ATOM 117 N HIS 8 7.002 -21.170 10.622 1.00 42.23 ATOM 118 HN HIS 8 6.590 -21.470 11.464 1.00 37.41 ATOM 119 CA HIS 8 7.426 -22.177 9.656 1.00 64.30 ATOM 120 HA HIS 8 7.262 -23.149 10.097 1.00 1.20 ATOM 121 CB HIS 8 6.599 -22.067 8.375 1.00 14.12 ATOM 122 HB1 HIS 8 6.767 -22.948 7.773 1.00 37.41 ATOM 123 HB2 HIS 8 6.905 -21.192 7.816 1.00 3.25 ATOM 124 CG HIS 8 5.126 -21.955 8.622 1.00 54.12 ATOM 125 ND1 HIS 8 4.304 -23.051 8.780 1.00 55.42 ATOM 126 HD1 HIS 8 4.585 -23.988 8.739 1.00 54.21 ATOM 127 CD2 HIS 8 4.328 -20.868 8.739 1.00 12.22 ATOM 128 HD2 HIS 8 4.638 -19.835 8.668 1.00 70.22 ATOM 129 CE1 HIS 8 3.063 -22.642 8.982 1.00 65.41 ATOM 130 HE1 HIS 8 2.205 -23.279 9.138 1.00 35.23 ATOM 131 NE2 HIS 8 3.051 -21.322 8.962 1.00 1.24 ATOM 132 HE2 HIS 8 2.277 -20.761 9.178 1.00 37.41 ATOM 133 C HIS 8 8.910 -22.028 9.331 1.00 33.35 ATOM 134 O HIS 8 9.306 -22.052 8.166 1.00 34.52 ATOM 135 N SER 9 9.725 -21.874 10.370 1.00 41.42 ATOM 136 HN SER 9 9.356 -21.889 11.285 1.00 37.41 ATOM 137 CA SER 9 11.164 -21.716 10.195 1.00 42.03 ATOM 138 HA SER 9 11.353 -21.260 9.230 1.00 1.13 ATOM 139 CB SER 9 11.734 -20.799 11.279 1.00 53.23 ATOM 140 HB1 SER 9 11.215 -19.851 11.250 1.00 37.41 ATOM 141 HB2 SER 9 12.787 -20.636 11.098 1.00 53.54 ATOM 142 OG SER 9 11.574 -21.370 12.566 1.00 52.13 ATOM 143 HG SER 9 11.577 -20.668 13.220 1.00 32.52 ATOM 144 C SER 9 11.868 -23.069 10.236 1.00 32.01 ATOM 145 O SER 9 11.252 -24.094 10.531 1.00 14.54 ATOM 146 N HIS 10 13.163 -23.065 9.938 1.00 42.32 ATOM 147 HN HIS 10 13.601 -22.217 9.696 1.00 37.41 ATOM 148 CA HIS 10 13.953 -24.291 9.941 1.00 34.21 ATOM 149 HA HIS 10 13.400 -25.073 10.449 1.00 35.32 ATOM 150 CB HIS 10 14.236 -24.744 8.509 1.00 45.14 ATOM 151 HB1 HIS 10 14.918 -25.586 8.525 1.00 37.41 ATOM 152 HB2 HIS 10 14.694 -23.930 7.967 1.00 71.40 ATOM 153 CG HIS 10 13.009 -25.160 7.758 1.00 63.32 ATOM 154 ND1 HIS 10 11.956 -24.307 7.505 1.00 32.22 ATOM 155 HD1 HIS 10 11.927 -23.355 7.712 1.00 73.43 ATOM 156 CD2 HIS 10 12.672 -26.347 7.202 1.00 72.42 ATOM 157 HD2 HIS 10 13.268 -27.249 7.207 1.00 61.54 ATOM 158 CE1 HIS 10 11.023 -24.952 6.828 1.00 34.01 ATOM 159 HE1 HIS 10 10.085 -24.536 6.491 1.00 2.22 ATOM 160 NE2 HIS 10 11.433 -26.192 6.631 1.00 53.14 ATOM 161 HE2 HIS 10 10.893 -26.910 6.239 1.00 37.41 ATOM 162 C HIS 10 15.265 -24.091 10.693 1.00 12.33 ATOM 163 O HIS 10 15.584 -24.842 11.615 1.00 51.53 ATOM 164 N MET 11 16.021 -23.074 10.293 1.00 2.22 ATOM 165 HN MET 11 15.700 -22.505 9.560 1.00 37.41 ATOM 166 CA MET 11 17.299 -22.775 10.930 1.00 34.13 ATOM 167 HA MET 11 17.729 -23.698 11.303 1.00 20.01 ATOM 168 CB MET 11 18.269 -22.168 9.915 1.00 24.44 ATOM 169 HB1 MET 11 18.513 -22.923 9.182 1.00 37.41 ATOM 170 HB2 MET 11 19.178 -21.880 10.431 1.00 23.21 ATOM 171 CG MET 11 17.706 -20.963 9.181 1.00 12.30 ATOM 172 HG1 MET 11 17.134 -20.349 9.858 1.00 37.41 ATOM 173 HG2 MET 11 17.062 -21.312 8.389 1.00 4.50 ATOM 174 SD MET 11 18.991 -19.934 8.446 1.00 2.21 ATOM 175 CE MET 11 19.513 -20.968 7.080 1.00 20.21 ATOM 176 HE1 MET 11 19.879 -21.910 7.461 1.00 32.05 ATOM 177 HE2 MET 11 20.300 -20.471 6.532 1.00 24.10 ATOM 178 HE3 MET 11 18.675 -21.147 6.423 1.00 14.04 ATOM 179 C MET 11 17.110 -21.820 12.105 1.00 61.31 ATOM 180 O MET 11 17.879 -21.843 13.065 1.00 61.52 ATOM 181 N ASN 12 16.082 -20.982 12.021 1.00 5.40 ATOM 182 HN ASN 12 15.494 -20.997 11.232 1.00 37.41 ATOM 183 CA ASN 12 15.794 -20.018 13.077 1.00 22.22 ATOM 184 HA ASN 12 16.671 -19.919 13.709 1.00 13.42 ATOM 185 CB ASN 12 15.464 -18.652 12.473 1.00 5.54 ATOM 186 HB1 ASN 12 14.412 -18.599 12.219 1.00 37.41 ATOM 187 HB2 ASN 12 16.045 -18.519 11.570 1.00 40.43 ATOM 188 CG ASN 12 15.804 -17.508 13.410 1.00 20.43 ATOM 189 OD1 ASN 12 16.966 -17.124 13.543 1.00 40.13 ATOM 190 ND2 ASN 12 14.788 -16.960 14.066 1.00 1.52 ATOM 191 HD21 ASN 12 13.879 -17.309 13.922 1.00 10.33 ATOM 192 HD22 ASN 12 14.987 -16.219 14.676 1.00 62.20 ATOM 193 C ASN 12 14.635 -20.495 13.947 1.00 21.22 ATOM 194 O ASN 12 13.922 -19.690 14.546 1.00 5.20 ATOM 195 N SER 13 14.453 -21.810 14.012 1.00 24.41 ATOM 196 HN SER 13 15.065 -22.416 13.549 1.00 37.41 ATOM 197 CA SER 13 13.379 -22.395 14.806 1.00 22.30 ATOM 198 HA SER 13 12.493 -21.808 14.673 1.00 50.11 ATOM 199 CB SER 13 13.100 -23.828 14.349 1.00 64.35 ATOM 200 HB1 SER 13 12.695 -24.410 15.169 1.00 37.41 ATOM 201 HB2 SER 13 14.016 -24.289 14.009 1.00 0.30 ATOM 202 OG SER 13 12.162 -23.851 13.287 1.00 62.32 ATOM 203 HG SER 13 11.272 -23.758 13.638 1.00 53.42 ATOM 204 C SER 13 13.732 -22.383 16.290 1.00 10.23 ATOM 205 O SER 13 12.877 -22.136 17.141 1.00 43.35 ATOM 206 N ALA 14 14.998 -22.651 16.593 1.00 32.44 ATOM 207 HN ALA 14 15.640 -22.852 15.872 1.00 37.41 ATOM 208 CA ALA 14 15.465 -22.669 17.974 1.00 64.31 ATOM 209 HA ALA 14 14.801 -23.297 18.544 1.00 53.24 ATOM 210 CB ALA 14 16.863 -23.265 18.050 1.00 63.22 ATOM 211 HB1 ALA 14 17.207 -23.272 19.073 1.00 34.21 ATOM 212 HB2 ALA 14 17.539 -22.672 17.451 1.00 51.43 ATOM 213 HB3 ALA 14 16.846 -24.272 17.670 1.00 62.21 ATOM 214 C ALA 14 15.452 -21.269 18.576 1.00 11.44 ATOM 215 O ALA 14 15.213 -21.100 19.772 1.00 64.03 ATOM 216 N GLU 15 15.710 -20.267 17.741 1.00 62.42 ATOM 217 HN GLU 15 15.910 -20.458 16.795 1.00 37.41 ATOM 218 CA GLU 15 15.729 -18.881 18.193 1.00 30.32 ATOM 219 HA GLU 15 16.449 -18.798 18.999 1.00 4.34 ATOM 220 CB GLU 15 16.148 -17.954 17.050 1.00 22.24 ATOM 221 HB1 GLU 15 15.881 -16.938 17.317 1.00 37.41 ATOM 222 HB2 GLU 15 15.606 -18.236 16.159 1.00 71.43 ATOM 223 CG GLU 15 17.634 -18.006 16.738 1.00 24.43 ATOM 224 HG1 GLU 15 17.804 -18.770 15.994 1.00 37.41 ATOM 225 HG2 GLU 15 18.185 -18.253 17.636 1.00 14.21 ATOM 226 CD GLU 15 18.165 -16.690 16.206 1.00 43.41 ATOM 227 OE1 GLU 15 17.350 -15.777 15.957 1.00 73.51 ATOM 228 OE2 GLU 15 19.397 -16.572 16.039 1.00 44.44 ATOM 229 C GLU 15 14.361 -18.464 18.725 1.00 30.14 ATOM 230 O GLU 15 14.263 -17.783 19.745 1.00 14.34 ATOM 231 N GLN 16 13.309 -18.878 18.026 1.00 22.01 ATOM 232 HN GLN 16 13.454 -19.414 17.215 1.00 37.41 ATOM 233 CA GLN 16 11.947 -18.546 18.427 1.00 22.33 ATOM 234 HA GLN 16 11.932 -17.523 18.783 1.00 75.10 ATOM 235 CB GLN 16 11.000 -18.657 17.232 1.00 75.03 ATOM 236 HB1 GLN 16 11.346 -17.991 16.454 1.00 37.41 ATOM 237 HB2 GLN 16 10.010 -18.347 17.542 1.00 51.41 ATOM 238 CG GLN 16 10.913 -20.059 16.652 1.00 63.54 ATOM 239 HG1 GLN 16 10.720 -20.775 17.432 1.00 37.41 ATOM 240 HG2 GLN 16 11.847 -20.288 16.172 1.00 42.33 ATOM 241 CD GLN 16 9.817 -20.195 15.613 1.00 64.01 ATOM 242 OE1 GLN 16 8.992 -19.297 15.443 1.00 3.14 ATOM 243 NE2 GLN 16 9.803 -21.322 14.910 1.00 4.33 ATOM 244 HE21 GLN 16 10.481 -22.008 15.090 1.00 55.14 ATOM 245 HE22 GLN 16 9.106 -21.425 14.229 1.00 33.31 ATOM 246 C GLN 16 11.474 -19.460 19.553 1.00 55.20 ATOM 247 O GLN 16 10.667 -19.061 20.394 1.00 52.23 ATOM 248 N THR 17 11.980 -20.689 19.564 1.00 72.13 ATOM 249 HN THR 17 12.611 -20.966 18.860 1.00 37.41 ATOM 250 CA THR 17 11.608 -21.660 20.585 1.00 74.12 ATOM 251 HA THR 17 10.529 -21.758 20.583 1.00 2.23 ATOM 252 CB THR 17 12.214 -23.045 20.290 1.00 34.24 ATOM 253 HB THR 17 13.277 -22.942 20.239 1.00 1.14 ATOM 254 OG1 THR 17 11.736 -23.531 19.031 1.00 63.12 ATOM 255 HG1 THR 17 12.362 -24.163 18.669 1.00 34.32 ATOM 256 CG2 THR 17 11.859 -24.036 21.389 1.00 12.21 ATOM 257 HG21 THR 17 12.356 -24.962 21.176 1.00 21.42 ATOM 258 HG22 THR 17 10.792 -24.196 21.400 1.00 44.30 ATOM 259 HG23 THR 17 12.177 -23.677 22.352 1.00 0.41 ATOM 260 C THR 17 12.059 -21.204 21.968 1.00 72.13 ATOM 261 O THR 17 11.292 -21.253 22.929 1.00 10.15 ATOM 262 N VAL 18 13.308 -20.760 22.061 1.00 43.12 ATOM 263 HN VAL 18 13.867 -20.732 21.250 1.00 37.41 ATOM 264 CA VAL 18 13.861 -20.293 23.327 1.00 63.15 ATOM 265 HA VAL 18 13.889 -21.133 24.010 1.00 10.51 ATOM 266 CB VAL 18 15.296 -19.761 23.150 1.00 71.00 ATOM 267 HB VAL 18 15.269 -18.913 22.479 1.00 2.51 ATOM 268 CG1 VAL 18 15.860 -19.294 24.483 1.00 23.00 ATOM 269 HG11 VAL 18 16.933 -19.169 24.409 1.00 54.44 ATOM 270 HG12 VAL 18 15.637 -20.016 25.250 1.00 72.45 ATOM 271 HG13 VAL 18 15.417 -18.345 24.748 1.00 24.43 ATOM 272 CG2 VAL 18 16.186 -20.827 22.529 1.00 42.44 ATOM 273 HG21 VAL 18 16.739 -20.388 21.712 1.00 14.11 ATOM 274 HG22 VAL 18 15.602 -21.649 22.153 1.00 61.43 ATOM 275 HG23 VAL 18 16.884 -21.204 23.255 1.00 62.54 ATOM 276 C VAL 18 12.995 -19.195 23.933 1.00 31.12 ATOM 277 O VAL 18 12.596 -19.274 25.096 1.00 74.15 ATOM 278 N THR 19 12.706 -18.169 23.138 1.00 30.51 ATOM 279 HN THR 19 13.050 -18.164 22.213 1.00 37.41 ATOM 280 CA THR 19 11.887 -17.054 23.596 1.00 22.32 ATOM 281 HA THR 19 12.317 -16.672 24.514 1.00 61.41 ATOM 282 CB THR 19 11.867 -15.911 22.564 1.00 4.24 ATOM 283 HB THR 19 11.414 -16.272 21.650 1.00 21.41 ATOM 284 OG1 THR 19 13.204 -15.484 22.281 1.00 44.24 ATOM 285 HG1 THR 19 13.608 -16.085 21.649 1.00 10.52 ATOM 286 CG2 THR 19 11.052 -14.733 23.077 1.00 73.51 ATOM 287 HG21 THR 19 11.352 -14.486 24.087 1.00 1.32 ATOM 288 HG22 THR 19 10.001 -14.979 23.062 1.00 64.20 ATOM 289 HG23 THR 19 11.224 -13.879 22.438 1.00 61.05 ATOM 290 C THR 19 10.456 -17.500 23.871 1.00 14.14 ATOM 291 O THR 19 9.786 -16.960 24.752 1.00 21.01 ATOM 292 N TRP 20 9.993 -18.488 23.114 1.00 53.42 ATOM 293 HN TRP 20 10.565 -18.874 22.411 1.00 37.41 ATOM 294 CA TRP 20 8.639 -19.006 23.277 1.00 23.24 ATOM 295 HA TRP 20 7.946 -18.193 23.115 1.00 51.01 ATOM 296 CB TRP 20 8.361 -20.097 22.242 1.00 33.34 ATOM 297 HB1 TRP 20 9.095 -20.877 22.340 1.00 37.41 ATOM 298 HB2 TRP 20 8.429 -19.669 21.254 1.00 23.13 ATOM 299 CG TRP 20 7.002 -20.715 22.381 1.00 0.32 ATOM 300 CD1 TRP 20 5.819 -20.059 22.572 1.00 4.13 ATOM 301 HD1 TRP 20 5.723 -18.986 22.647 1.00 3.42 ATOM 302 CD2 TRP 20 6.687 -22.111 22.342 1.00 41.23 ATOM 303 NE1 TRP 20 4.788 -20.963 22.654 1.00 62.40 ATOM 304 HE1 TRP 20 3.844 -20.738 22.791 1.00 35.05 ATOM 305 CE2 TRP 20 5.294 -22.229 22.515 1.00 40.34 ATOM 306 CE3 TRP 20 7.446 -23.273 22.175 1.00 54.51 ATOM 307 HE3 TRP 20 8.516 -23.226 22.039 1.00 1.15 ATOM 308 CZ2 TRP 20 4.647 -23.462 22.527 1.00 44.45 ATOM 309 HZ2 TRP 20 3.581 -23.543 22.656 1.00 75.31 ATOM 310 CZ3 TRP 20 6.802 -24.496 22.187 1.00 3.53 ATOM 311 HZ3 TRP 20 7.372 -25.404 22.060 1.00 23.34 ATOM 312 CH2 TRP 20 5.415 -24.583 22.361 1.00 13.42 ATOM 313 HH2 TRP 20 4.969 -25.544 22.363 1.00 13.44 ATOM 314 C TRP 20 8.434 -19.558 24.684 1.00 61.02 ATOM 315 O TRP 20 7.394 -19.333 25.304 1.00 72.30 ATOM 316 N LEU 21 9.431 -20.280 25.182 1.00 22.54 ATOM 317 HN LEU 21 10.240 -20.432 24.638 1.00 37.41 ATOM 318 CA LEU 21 9.360 -20.865 26.517 1.00 12.53 ATOM 319 HA LEU 21 8.414 -21.375 26.617 1.00 20.40 ATOM 320 CB LEU 21 10.496 -21.869 26.718 1.00 42.34 ATOM 321 HB1 LEU 21 10.464 -22.214 27.744 1.00 37.41 ATOM 322 HB2 LEU 21 11.433 -21.350 26.561 1.00 30.45 ATOM 323 CG LEU 21 10.472 -23.099 25.810 1.00 63.10 ATOM 324 HG LEU 21 10.552 -22.780 24.781 1.00 63.32 ATOM 325 CD1 LEU 21 11.653 -24.008 26.112 1.00 24.31 ATOM 326 HD11 LEU 21 12.576 -23.464 25.966 1.00 22.44 ATOM 327 HD12 LEU 21 11.635 -24.860 25.446 1.00 40.43 ATOM 328 HD13 LEU 21 11.598 -24.352 27.136 1.00 25.42 ATOM 329 CD2 LEU 21 9.161 -23.854 25.970 1.00 71.42 ATOM 330 HD21 LEU 21 9.014 -24.122 27.007 1.00 74.12 ATOM 331 HD22 LEU 21 9.197 -24.750 25.370 1.00 10.24 ATOM 332 HD23 LEU 21 8.340 -23.241 25.634 1.00 44.41 ATOM 333 C LEU 21 9.428 -19.782 27.590 1.00 53.13 ATOM 334 O LEU 21 8.846 -19.923 28.666 1.00 64.40 ATOM 335 N ILE 22 10.139 -18.701 27.288 1.00 71.04 ATOM 336 HN ILE 22 10.592 -18.639 26.416 1.00 37.41 ATOM 337 CA ILE 22 10.279 -17.593 28.224 1.00 25.25 ATOM 338 HA ILE 22 10.477 -17.997 29.204 1.00 24.23 ATOM 339 CB ILE 22 11.449 -16.671 27.834 1.00 41.52 ATOM 340 HB ILE 22 11.238 -16.256 26.856 1.00 33.21 ATOM 341 CG1 ILE 22 12.756 -17.464 27.775 1.00 31.24 ATOM 342 HG11 ILE 22 12.585 -18.432 27.332 1.00 37.41 ATOM 343 HG12 ILE 22 13.140 -17.609 28.776 1.00 3.52 ATOM 344 CG2 ILE 22 11.567 -15.518 28.820 1.00 74.01 ATOM 345 HG21 ILE 22 12.376 -14.878 28.521 1.00 72.43 ATOM 346 HG22 ILE 22 11.762 -15.901 29.811 1.00 43.13 ATOM 347 HG23 ILE 22 10.656 -14.938 28.833 1.00 51.02 ATOM 348 CD1 ILE 22 13.839 -16.787 26.965 1.00 13.31 ATOM 349 HD11 ILE 22 13.869 -17.227 25.979 1.00 33.35 ATOM 350 HD12 ILE 22 14.787 -16.933 27.442 1.00 21.32 ATOM 351 HD13 ILE 22 13.640 -15.729 26.872 1.00 24.43 ATOM 352 C ILE 22 8.999 -16.769 28.297 1.00 13.11 ATOM 353 O ILE 22 8.455 -16.538 29.378 1.00 62.51 ATOM 354 N THR 23 8.519 -16.327 27.138 1.00 30.35 ATOM 355 HN THR 23 9.002 -16.537 26.306 1.00 37.41 ATOM 356 CA THR 23 7.302 -15.529 27.070 1.00 75.13 ATOM 357 HA THR 23 7.474 -14.605 27.606 1.00 51.15 ATOM 358 CB THR 23 6.940 -15.179 25.614 1.00 65.43 ATOM 359 HB THR 23 7.786 -14.684 25.158 1.00 33.15 ATOM 360 OG1 THR 23 5.812 -14.299 25.587 1.00 53.22 ATOM 361 HG1 THR 23 6.100 -13.399 25.761 1.00 2.24 ATOM 362 CG2 THR 23 6.628 -16.437 24.817 1.00 42.14 ATOM 363 HG21 THR 23 6.488 -16.173 23.779 1.00 2.11 ATOM 364 HG22 THR 23 5.728 -16.902 25.188 1.00 43.40 ATOM 365 HG23 THR 23 7.442 -17.113 24.899 1.00 55.23 ATOM 366 C THR 23 6.128 -16.260 27.711 1.00 73.42 ATOM 367 O THR 23 5.189 -15.635 28.206 1.00 72.23 ATOM 368 N LEU 24 6.186 -17.587 27.700 1.00 63.54 ATOM 369 HN LEU 24 6.936 -18.044 27.257 1.00 37.41 ATOM 370 CA LEU 24 5.127 -18.405 28.281 1.00 23.03 ATOM 371 HA LEU 24 4.171 -17.999 27.971 1.00 41.34 ATOM 372 CB LEU 24 5.236 -19.847 27.782 1.00 42.35 ATOM 373 HB1 LEU 24 4.714 -20.500 28.469 1.00 37.41 ATOM 374 HB2 LEU 24 6.286 -20.116 27.810 1.00 3.21 ATOM 375 CG LEU 24 4.709 -20.110 26.371 1.00 51.45 ATOM 376 HG LEU 24 4.983 -19.287 25.726 1.00 74.51 ATOM 377 CD1 LEU 24 5.327 -21.375 25.797 1.00 61.02 ATOM 378 HD11 LEU 24 4.568 -21.987 25.326 1.00 11.40 ATOM 379 HD12 LEU 24 5.802 -21.944 26.581 1.00 0.11 ATOM 380 HD13 LEU 24 6.063 -21.116 25.062 1.00 14.30 ATOM 381 CD2 LEU 24 3.191 -20.212 26.379 1.00 34.10 ATOM 382 HD21 LEU 24 2.832 -20.309 25.364 1.00 1.00 ATOM 383 HD22 LEU 24 2.766 -19.321 26.821 1.00 74.44 ATOM 384 HD23 LEU 24 2.886 -21.077 26.949 1.00 44.30 ATOM 385 C LEU 24 5.192 -18.377 29.805 1.00 42.31 ATOM 386 O LEU 24 4.186 -18.580 30.483 1.00 22.32 ATOM 387 N GLY 25 6.384 -18.120 30.337 1.00 74.41 ATOM 388 HN GLY 25 7.166 -17.997 29.770 1.00 37.41 ATOM 389 CA GLY 25 6.557 -18.068 31.777 1.00 43.23 ATOM 390 HA1 GLY 25 5.675 -17.642 32.240 1.00 37.41 ATOM 391 HA2 GLY 25 7.401 -17.431 31.997 1.00 1.34 ATOM 392 C GLY 25 6.817 -19.434 32.380 1.00 41.03 ATOM 393 O GLY 25 6.359 -19.731 33.483 1.00 4.13 ATOM 394 N VAL 26 7.553 -20.270 31.653 1.00 11.54 ATOM 395 HN VAL 26 7.900 -19.976 30.786 1.00 37.41 ATOM 396 CA VAL 26 7.872 -21.612 32.123 1.00 64.42 ATOM 397 HA VAL 26 7.433 -21.768 33.103 1.00 14.13 ATOM 398 CB VAL 26 7.315 -22.687 31.171 1.00 62.23 ATOM 399 HB VAL 26 7.749 -23.646 31.427 1.00 71.21 ATOM 400 CG1 VAL 26 5.807 -22.809 31.327 1.00 21.53 ATOM 401 HG11 VAL 26 5.437 -23.589 30.678 1.00 51.52 ATOM 402 HG12 VAL 26 5.341 -21.872 31.064 1.00 53.03 ATOM 403 HG13 VAL 26 5.566 -23.054 32.352 1.00 55.41 ATOM 404 CG2 VAL 26 7.686 -22.366 29.731 1.00 73.54 ATOM 405 HG21 VAL 26 7.386 -23.189 29.098 1.00 33.55 ATOM 406 HG22 VAL 26 8.751 -22.224 29.638 1.00 13.24 ATOM 407 HG23 VAL 26 7.171 -21.473 29.411 1.00 10.22 ATOM 408 C VAL 26 9.379 -21.803 32.260 1.00 12.43 ATOM 409 O VAL 26 9.845 -22.561 33.111 1.00 31.25 ATOM 410 N LEU 27 10.136 -21.109 31.418 1.00 43.21 ATOM 411 HN LEU 27 9.729 -20.546 30.729 1.00 37.41 ATOM 412 CA LEU 27 11.592 -21.200 31.445 1.00 30.11 ATOM 413 HA LEU 27 11.894 -21.780 32.311 1.00 14.33 ATOM 414 CB LEU 27 12.101 -21.916 30.193 1.00 42.44 ATOM 415 HB1 LEU 27 11.612 -21.465 29.342 1.00 37.41 ATOM 416 HB2 LEU 27 11.798 -22.936 30.253 1.00 32.43 ATOM 417 CG LEU 27 13.611 -21.862 29.956 1.00 10.01 ATOM 418 HG LEU 27 13.943 -20.843 29.956 1.00 23.13 ATOM 419 CD1 LEU 27 14.351 -22.597 31.063 1.00 41.12 ATOM 420 HD11 LEU 27 14.068 -23.636 31.061 1.00 43.40 ATOM 421 HD12 LEU 27 14.106 -22.162 32.020 1.00 25.45 ATOM 422 HD13 LEU 27 15.417 -22.517 30.900 1.00 3.11 ATOM 423 CD2 LEU 27 13.959 -22.451 28.597 1.00 41.12 ATOM 424 HD21 LEU 27 13.655 -23.488 28.559 1.00 55.05 ATOM 425 HD22 LEU 27 15.026 -22.384 28.435 1.00 15.44 ATOM 426 HD23 LEU 27 13.447 -21.899 27.821 1.00 33.51 ATOM 427 C LEU 27 12.223 -19.815 31.545 1.00 12.13 ATOM 428 O LEU 27 11.882 -18.911 30.783 1.00 71.20 ATOM 429 N GLU 28 13.145 -19.657 32.489 1.00 24.23 ATOM 430 HN GLU 28 13.371 -20.416 33.077 1.00 37.41 ATOM 431 CA GLU 28 13.825 -18.382 32.687 1.00 35.13 ATOM 432 HA GLU 28 13.081 -17.644 32.955 1.00 33.52 ATOM 433 CB GLU 28 14.842 -18.492 33.825 1.00 61.24 ATOM 434 HB1 GLU 28 14.370 -18.988 34.663 1.00 37.41 ATOM 435 HB2 GLU 28 15.135 -17.496 34.126 1.00 13.44 ATOM 436 CG GLU 28 16.096 -19.264 33.447 1.00 14.43 ATOM 437 HG1 GLU 28 16.650 -18.703 32.709 1.00 37.41 ATOM 438 HG2 GLU 28 15.811 -20.220 33.032 1.00 40.44 ATOM 439 CD GLU 28 17.009 -19.509 34.633 1.00 51.53 ATOM 440 OE1 GLU 28 16.494 -19.615 35.766 1.00 71.45 ATOM 441 OE2 GLU 28 18.238 -19.593 34.428 1.00 12.12 ATOM 442 C GLU 28 14.523 -17.933 31.407 1.00 71.10 ATOM 443 O GLU 28 14.667 -18.708 30.461 1.00 13.22 ATOM 444 N SER 29 14.954 -16.676 31.385 1.00 64.11 ATOM 445 HN SER 29 14.826 -16.104 32.179 1.00 37.41 ATOM 446 CA SER 29 15.634 -16.121 30.220 1.00 72.51 ATOM 447 HA SER 29 15.382 -16.730 29.369 1.00 13.44 ATOM 448 CB SER 29 15.158 -14.691 29.959 1.00 44.11 ATOM 449 HB1 SER 29 15.981 -13.992 30.045 1.00 37.41 ATOM 450 HB2 SER 29 14.395 -14.422 30.677 1.00 20.11 ATOM 451 OG SER 29 14.603 -14.567 28.661 1.00 0.21 ATOM 452 HG SER 29 14.272 -13.674 28.538 1.00 11.23 ATOM 453 C SER 29 17.147 -16.139 30.414 1.00 70.21 ATOM 454 O SER 29 17.654 -16.177 31.535 1.00 4.10 ATOM 455 N PRO 30 17.886 -16.111 29.295 1.00 24.42 ATOM 456 CA PRO 30 19.352 -16.123 29.315 1.00 62.14 ATOM 457 HA PRO 30 19.735 -16.951 29.894 1.00 33.22 ATOM 458 CB PRO 30 19.725 -16.311 27.842 1.00 70.20 ATOM 459 HB1 PRO 30 19.859 -17.361 27.657 1.00 37.41 ATOM 460 HB2 PRO 30 20.639 -15.781 27.602 1.00 54.45 ATOM 461 CG PRO 30 18.560 -15.773 27.085 1.00 45.23 ATOM 462 HG1 PRO 30 18.475 -16.263 26.130 1.00 37.41 ATOM 463 HG2 PRO 30 18.671 -14.708 26.950 1.00 74.23 ATOM 464 CD PRO 30 17.349 -16.066 27.925 1.00 14.01 ATOM 465 HD1 PRO 30 16.921 -17.017 27.647 1.00 37.41 ATOM 466 HD2 PRO 30 16.633 -15.279 27.806 1.00 13.53 ATOM 467 C PRO 30 19.935 -14.819 29.849 1.00 22.54 ATOM 468 O PRO 30 19.202 -13.878 30.154 1.00 23.34 ATOM 469 N LYS 31 21.258 -14.770 29.960 1.00 23.15 ATOM 470 HN LYS 31 21.796 -15.550 29.682 1.00 37.41 ATOM 471 CA LYS 31 21.941 -13.581 30.457 1.00 61.32 ATOM 472 HA LYS 31 21.278 -13.064 31.144 1.00 41.54 ATOM 473 CB LYS 31 23.223 -13.975 31.194 1.00 1.31 ATOM 474 HB1 LYS 31 24.073 -13.468 30.753 1.00 37.41 ATOM 475 HB2 LYS 31 23.382 -15.042 31.100 1.00 12.41 ATOM 476 CG LYS 31 23.204 -13.630 32.673 1.00 5.41 ATOM 477 HG1 LYS 31 22.982 -12.577 32.780 1.00 37.41 ATOM 478 HG2 LYS 31 24.181 -13.828 33.094 1.00 20.32 ATOM 479 CD LYS 31 22.149 -14.429 33.419 1.00 51.41 ATOM 480 HD1 LYS 31 21.244 -14.502 32.832 1.00 37.41 ATOM 481 HD2 LYS 31 21.927 -13.912 34.341 1.00 2.55 ATOM 482 CE LYS 31 22.640 -15.830 33.749 1.00 42.15 ATOM 483 HE1 LYS 31 23.723 -15.860 33.727 1.00 37.41 ATOM 484 HE2 LYS 31 22.252 -16.513 33.009 1.00 22.04 ATOM 485 NZ LYS 31 22.183 -16.276 35.094 1.00 41.32 ATOM 486 HZ1 LYS 31 21.142 -16.288 35.138 1.00 73.53 ATOM 487 HZ2 LYS 31 22.543 -15.634 35.830 1.00 71.20 ATOM 488 HZ3 LYS 31 22.535 -17.235 35.288 1.00 45.05 ATOM 489 C LYS 31 22.272 -12.627 29.314 1.00 40.12 ATOM 490 O LYS 31 22.422 -11.423 29.520 1.00 3.54 ATOM 491 N LYS 32 22.383 -13.172 28.107 1.00 31.12 ATOM 492 HN LYS 32 22.289 -14.146 27.996 1.00 37.41 ATOM 493 CA LYS 32 22.693 -12.370 26.930 1.00 40.40 ATOM 494 HA LYS 32 22.188 -11.415 27.019 1.00 62.03 ATOM 495 CB LYS 32 24.201 -12.124 26.837 1.00 32.33 ATOM 496 HB1 LYS 32 24.530 -11.693 27.771 1.00 37.41 ATOM 497 HB2 LYS 32 24.397 -11.417 26.044 1.00 23.32 ATOM 498 CG LYS 32 25.008 -13.387 26.592 1.00 25.10 ATOM 499 HG1 LYS 32 24.556 -13.968 25.802 1.00 37.41 ATOM 500 HG2 LYS 32 25.025 -13.974 27.498 1.00 43.24 ATOM 501 CD LYS 32 26.435 -13.065 26.181 1.00 64.24 ATOM 502 HD1 LYS 32 26.422 -12.384 25.340 1.00 37.41 ATOM 503 HD2 LYS 32 26.928 -13.982 25.892 1.00 34.35 ATOM 504 CE LYS 32 27.215 -12.431 27.322 1.00 11.22 ATOM 505 HE1 LYS 32 27.326 -13.158 28.113 1.00 37.41 ATOM 506 HE2 LYS 32 26.678 -11.572 27.696 1.00 63.52 ATOM 507 NZ LYS 32 28.567 -11.981 26.888 1.00 34.02 ATOM 508 HZ1 LYS 32 28.486 -11.273 26.129 1.00 24.11 ATOM 509 HZ2 LYS 32 29.123 -12.789 26.537 1.00 12.24 ATOM 510 HZ3 LYS 32 29.073 -11.554 27.690 1.00 10.45 ATOM 511 C LYS 32 22.200 -13.054 25.659 1.00 33.23 ATOM 512 O LYS 32 21.474 -14.048 25.718 1.00 0.40 ATOM 513 N THR 33 22.599 -12.518 24.510 1.00 10.02 ATOM 514 HN THR 33 23.140 -11.698 24.512 1.00 37.41 ATOM 515 CA THR 33 22.198 -13.077 23.226 1.00 72.34 ATOM 516 HA THR 33 21.122 -12.961 23.146 1.00 5.23 ATOM 517 CB THR 33 22.859 -12.326 22.055 1.00 52.24 ATOM 518 HB THR 33 23.891 -12.645 21.963 1.00 32.52 ATOM 519 OG1 THR 33 22.839 -10.916 22.304 1.00 42.10 ATOM 520 HG1 THR 33 23.546 -10.490 21.812 1.00 51.14 ATOM 521 CG2 THR 33 22.142 -12.625 20.746 1.00 2.45 ATOM 522 HG21 THR 33 22.615 -12.076 19.945 1.00 61.54 ATOM 523 HG22 THR 33 21.106 -12.325 20.822 1.00 72.23 ATOM 524 HG23 THR 33 22.196 -13.683 20.535 1.00 73.44 ATOM 525 C THR 33 22.557 -14.556 23.133 1.00 3.23 ATOM 526 O THR 33 23.660 -14.960 23.502 1.00 24.03 ATOM 527 N ILE 34 21.621 -15.358 22.638 1.00 13.23 ATOM 528 HN ILE 34 20.759 -14.976 22.346 1.00 37.41 ATOM 529 CA ILE 34 21.841 -16.792 22.496 1.00 13.32 ATOM 530 HA ILE 34 22.428 -17.135 23.343 1.00 11.23 ATOM 531 CB ILE 34 20.510 -17.567 22.487 1.00 22.22 ATOM 532 HB ILE 34 19.927 -17.239 21.637 1.00 12.30 ATOM 533 CG1 ILE 34 19.721 -17.285 23.768 1.00 45.25 ATOM 534 HG11 ILE 34 18.798 -17.849 23.752 1.00 37.41 ATOM 535 HG12 ILE 34 19.488 -16.231 23.817 1.00 41.14 ATOM 536 CG2 ILE 34 20.768 -19.059 22.335 1.00 14.04 ATOM 537 HG21 ILE 34 21.559 -19.376 23.000 1.00 72.32 ATOM 538 HG22 ILE 34 21.052 -19.262 21.320 1.00 14.24 ATOM 539 HG23 ILE 34 19.866 -19.610 22.565 1.00 31.04 ATOM 540 CD1 ILE 34 20.468 -17.652 25.031 1.00 44.33 ATOM 541 HD11 ILE 34 20.906 -16.763 25.453 1.00 1.42 ATOM 542 HD12 ILE 34 21.250 -18.370 24.833 1.00 74.50 ATOM 543 HD13 ILE 34 19.773 -18.076 25.734 1.00 71.45 ATOM 544 C ILE 34 22.608 -17.106 21.216 1.00 10.14 ATOM 545 O ILE 34 22.023 -17.202 20.137 1.00 2.25 ATOM 546 N SER 35 23.921 -17.267 21.345 1.00 42.15 ATOM 547 HN SER 35 24.332 -17.191 22.240 1.00 37.41 ATOM 548 CA SER 35 24.770 -17.569 20.198 1.00 52.22 ATOM 549 HA SER 35 24.476 -16.928 19.375 1.00 64.24 ATOM 550 CB SER 35 26.236 -17.289 20.534 1.00 71.31 ATOM 551 HB1 SER 35 26.855 -17.517 19.676 1.00 37.41 ATOM 552 HB2 SER 35 26.538 -17.905 21.369 1.00 4.53 ATOM 553 OG SER 35 26.429 -15.930 20.884 1.00 53.31 ATOM 554 HG SER 35 26.482 -15.395 20.087 1.00 64.34 ATOM 555 C SER 35 24.603 -19.023 19.767 1.00 44.34 ATOM 556 O SER 35 24.847 -19.371 18.611 1.00 4.12 ATOM 557 N ASP 36 24.186 -19.867 20.704 1.00 44.13 ATOM 558 HN ASP 36 24.032 -19.553 21.623 1.00 37.41 ATOM 559 CA ASP 36 23.986 -21.284 20.422 1.00 12.40 ATOM 560 HA ASP 36 24.036 -21.451 19.355 1.00 54.14 ATOM 561 CB ASP 36 25.094 -22.116 21.069 1.00 60.03 ATOM 562 HB1 ASP 36 25.192 -23.049 20.534 1.00 37.41 ATOM 563 HB2 ASP 36 24.853 -22.324 22.104 1.00 52.44 ATOM 564 CG ASP 36 26.436 -21.412 21.045 1.00 42.53 ATOM 565 OD1 ASP 36 26.872 -20.929 22.111 1.00 54.02 ATOM 566 OD2 ASP 36 27.051 -21.342 19.960 1.00 52.24 ATOM 567 C ASP 36 22.623 -21.750 20.925 1.00 41.02 ATOM 568 O ASP 36 22.509 -22.421 21.950 1.00 20.44 ATOM 569 N PRO 37 21.564 -21.386 20.187 1.00 14.34 ATOM 570 CA PRO 37 20.189 -21.755 20.539 1.00 24.34 ATOM 571 HA PRO 37 19.945 -21.480 21.550 1.00 75.44 ATOM 572 CB PRO 37 19.341 -20.940 19.560 1.00 31.04 ATOM 573 HB1 PRO 37 19.059 -20.008 20.026 1.00 37.41 ATOM 574 HB2 PRO 37 18.452 -21.479 19.277 1.00 74.51 ATOM 575 CG PRO 37 20.235 -20.700 18.393 1.00 73.51 ATOM 576 HG1 PRO 37 19.955 -19.779 17.904 1.00 37.41 ATOM 577 HG2 PRO 37 20.171 -21.523 17.700 1.00 2.13 ATOM 578 CD PRO 37 21.626 -20.585 18.953 1.00 75.31 ATOM 579 HD1 PRO 37 21.862 -19.554 19.172 1.00 37.41 ATOM 580 HD2 PRO 37 22.337 -20.996 18.254 1.00 71.31 ATOM 581 C PRO 37 19.926 -23.246 20.359 1.00 71.41 ATOM 582 O PRO 37 19.307 -23.884 21.210 1.00 1.55 ATOM 583 N GLU 38 20.400 -23.796 19.245 1.00 21.02 ATOM 584 HN GLU 38 20.910 -23.250 18.610 1.00 37.41 ATOM 585 CA GLU 38 20.214 -25.213 18.954 1.00 4.23 ATOM 586 HA GLU 38 19.162 -25.376 18.796 1.00 45.33 ATOM 587 CB GLU 38 20.987 -25.603 17.693 1.00 42.34 ATOM 588 HB1 GLU 38 21.067 -26.684 17.660 1.00 37.41 ATOM 589 HB2 GLU 38 21.981 -25.180 17.747 1.00 73.22 ATOM 590 CG GLU 38 20.335 -25.124 16.407 1.00 55.13 ATOM 591 HG1 GLU 38 20.663 -24.114 16.209 1.00 37.41 ATOM 592 HG2 GLU 38 19.259 -25.135 16.522 1.00 54.12 ATOM 593 CD GLU 38 20.691 -25.989 15.214 1.00 64.41 ATOM 594 OE1 GLU 38 20.122 -25.764 14.125 1.00 25.54 ATOM 595 OE2 GLU 38 21.540 -26.892 15.370 1.00 65.14 ATOM 596 C GLU 38 20.670 -26.074 20.129 1.00 14.42 ATOM 597 O GLU 38 20.054 -27.092 20.442 1.00 12.43 ATOM 598 N GLY 39 21.754 -25.657 20.776 1.00 40.41 ATOM 599 HN GLY 39 22.227 -24.847 20.484 1.00 37.41 ATOM 600 CA GLY 39 22.274 -26.400 21.908 1.00 24.32 ATOM 601 HA1 GLY 39 23.337 -26.220 21.975 1.00 37.41 ATOM 602 HA2 GLY 39 22.114 -27.462 21.760 1.00 31.54 ATOM 603 C GLY 39 21.635 -25.985 23.218 1.00 2.52 ATOM 604 O GLY 39 21.354 -26.824 24.074 1.00 1.31 ATOM 605 N PHE 40 21.406 -24.685 23.377 1.00 62.12 ATOM 606 HN PHE 40 21.664 -24.055 22.663 1.00 37.41 ATOM 607 CA PHE 40 20.799 -24.159 24.594 1.00 54.14 ATOM 608 HA PHE 40 21.465 -24.369 25.419 1.00 64.52 ATOM 609 CB PHE 40 20.612 -22.644 24.482 1.00 23.30 ATOM 610 HB1 PHE 40 20.100 -22.424 23.554 1.00 37.41 ATOM 611 HB2 PHE 40 21.587 -22.173 24.460 1.00 33.44 ATOM 612 CG PHE 40 19.823 -22.052 25.614 1.00 32.55 ATOM 613 CD1 PHE 40 20.455 -21.641 26.777 1.00 63.04 ATOM 614 HD1 PHE 40 21.528 -21.747 26.869 1.00 25.01 ATOM 615 CD2 PHE 40 18.448 -21.907 25.517 1.00 44.03 ATOM 616 HD2 PHE 40 17.943 -22.230 24.623 1.00 14.45 ATOM 617 CE1 PHE 40 19.731 -21.097 27.820 1.00 1.14 ATOM 618 HE1 PHE 40 20.236 -20.781 28.721 1.00 52.43 ATOM 619 CE2 PHE 40 17.719 -21.363 26.557 1.00 31.02 ATOM 620 HE2 PHE 40 16.651 -21.263 26.474 1.00 2.13 ATOM 621 CZ PHE 40 18.361 -20.957 27.710 1.00 4.41 ATOM 622 HZ PHE 40 17.793 -20.532 28.525 1.00 24.03 ATOM 623 C PHE 40 19.455 -24.829 24.864 1.00 31.43 ATOM 624 O PHE 40 19.081 -25.054 26.016 1.00 21.23 ATOM 625 N LEU 41 18.733 -25.146 23.795 1.00 14.14 ATOM 626 HN LEU 41 19.076 -24.937 22.895 1.00 37.41 ATOM 627 CA LEU 41 17.429 -25.790 23.916 1.00 64.40 ATOM 628 HA LEU 41 16.877 -25.285 24.689 1.00 30.05 ATOM 629 CB LEU 41 16.659 -25.677 22.599 1.00 32.44 ATOM 630 HB1 LEU 41 15.983 -26.522 22.505 1.00 37.41 ATOM 631 HB2 LEU 41 17.383 -25.741 21.798 1.00 1.23 ATOM 632 CG LEU 41 15.846 -24.397 22.405 1.00 3.21 ATOM 633 HG LEU 41 16.462 -23.550 22.662 1.00 23.20 ATOM 634 CD1 LEU 41 15.424 -24.248 20.952 1.00 73.12 ATOM 635 HD11 LEU 41 15.261 -23.213 20.739 1.00 25.34 ATOM 636 HD12 LEU 41 14.513 -24.802 20.766 1.00 64.20 ATOM 637 HD13 LEU 41 16.200 -24.626 20.304 1.00 72.32 ATOM 638 CD2 LEU 41 14.630 -24.393 23.319 1.00 33.13 ATOM 639 HD21 LEU 41 14.941 -24.513 24.346 1.00 64.42 ATOM 640 HD22 LEU 41 13.966 -25.202 23.050 1.00 50.32 ATOM 641 HD23 LEU 41 14.110 -23.452 23.217 1.00 14.24 ATOM 642 C LEU 41 17.581 -27.257 24.305 1.00 24.41 ATOM 643 O LEU 41 16.933 -27.732 25.238 1.00 45.24 ATOM 644 N GLN 42 18.443 -27.969 23.586 1.00 41.05 ATOM 645 HN GLN 42 18.929 -27.534 22.844 1.00 37.41 ATOM 646 CA GLN 42 18.681 -29.382 23.857 1.00 11.32 ATOM 647 HA GLN 42 17.774 -29.921 23.619 1.00 1.41 ATOM 648 CB GLN 42 19.819 -29.907 22.981 1.00 42.35 ATOM 649 HB1 GLN 42 20.749 -29.438 23.281 1.00 37.41 ATOM 650 HB2 GLN 42 19.610 -29.630 21.956 1.00 54.40 ATOM 651 CG GLN 42 19.977 -31.418 23.029 1.00 4.25 ATOM 652 HG1 GLN 42 20.247 -31.759 22.039 1.00 37.41 ATOM 653 HG2 GLN 42 19.037 -31.877 23.311 1.00 73.33 ATOM 654 CD GLN 42 21.062 -31.860 23.992 1.00 71.21 ATOM 655 OE1 GLN 42 22.248 -31.623 23.760 1.00 31.34 ATOM 656 NE2 GLN 42 20.660 -32.507 25.080 1.00 4.20 ATOM 657 HE21 GLN 42 19.699 -32.670 25.216 1.00 62.21 ATOM 658 HE22 GLN 42 21.347 -32.801 25.714 1.00 41.14 ATOM 659 C GLN 42 19.013 -29.605 25.329 1.00 14.41 ATOM 660 O GLN 42 18.542 -30.561 25.943 1.00 31.53 ATOM 661 N ALA 43 19.826 -28.715 25.889 1.00 61.05 ATOM 662 HN ALA 43 20.177 -27.968 25.349 1.00 37.41 ATOM 663 CA ALA 43 20.219 -28.814 27.289 1.00 43.14 ATOM 664 HA ALA 43 20.453 -29.849 27.509 1.00 42.13 ATOM 665 CB ALA 43 21.474 -27.991 27.544 1.00 73.51 ATOM 666 HB1 ALA 43 21.790 -28.117 28.570 1.00 51.03 ATOM 667 HB2 ALA 43 21.269 -26.946 27.355 1.00 5.42 ATOM 668 HB3 ALA 43 22.261 -28.326 26.884 1.00 3.21 ATOM 669 C ALA 43 19.091 -28.361 28.209 1.00 0.10 ATOM 670 O ALA 43 18.786 -29.019 29.203 1.00 22.35 ATOM 671 N SER 44 18.475 -27.233 27.871 1.00 10.44 ATOM 672 HN SER 44 18.766 -26.745 27.064 1.00 37.41 ATOM 673 CA SER 44 17.383 -26.689 28.671 1.00 70.25 ATOM 674 HA SER 44 17.755 -26.507 29.670 1.00 15.50 ATOM 675 CB SER 44 16.898 -25.365 28.076 1.00 32.44 ATOM 676 HB1 SER 44 17.740 -24.723 27.885 1.00 37.41 ATOM 677 HB2 SER 44 16.237 -24.883 28.782 1.00 34.10 ATOM 678 OG SER 44 16.188 -25.578 26.869 1.00 70.24 ATOM 679 HG SER 44 15.756 -24.763 26.603 1.00 51.04 ATOM 680 C SER 44 16.224 -27.678 28.751 1.00 23.42 ATOM 681 O SER 44 15.448 -27.667 29.708 1.00 62.13 ATOM 682 N LEU 45 16.114 -28.533 27.741 1.00 75.54 ATOM 683 HN LEU 45 16.736 -28.488 26.982 1.00 37.41 ATOM 684 CA LEU 45 15.050 -29.531 27.695 1.00 11.24 ATOM 685 HA LEU 45 14.259 -29.241 28.377 1.00 60.35 ATOM 686 CB LEU 45 14.460 -29.612 26.287 1.00 74.15 ATOM 687 HB1 LEU 45 13.608 -30.279 26.315 1.00 37.41 ATOM 688 HB2 LEU 45 15.210 -30.054 25.649 1.00 41.43 ATOM 689 CG LEU 45 14.028 -28.285 25.662 1.00 44.31 ATOM 690 HG LEU 45 14.597 -27.471 26.089 1.00 43.31 ATOM 691 CD1 LEU 45 14.298 -28.287 24.165 1.00 14.31 ATOM 692 HD11 LEU 45 13.606 -28.955 23.673 1.00 61.21 ATOM 693 HD12 LEU 45 15.298 -28.626 23.962 1.00 21.33 ATOM 694 HD13 LEU 45 14.169 -27.289 23.774 1.00 24.33 ATOM 695 CD2 LEU 45 12.556 -28.017 25.940 1.00 25.45 ATOM 696 HD21 LEU 45 12.388 -27.991 27.008 1.00 44.12 ATOM 697 HD22 LEU 45 11.953 -28.800 25.502 1.00 13.11 ATOM 698 HD23 LEU 45 12.273 -27.065 25.512 1.00 5.30 ATOM 699 C LEU 45 15.569 -30.900 28.121 1.00 21.43 ATOM 700 O LEU 45 14.954 -31.927 27.833 1.00 32.10 ATOM 701 N LYS 46 16.705 -30.908 28.811 1.00 34.52 ATOM 702 HN LYS 46 17.145 -30.071 29.046 1.00 37.41 ATOM 703 CA LYS 46 17.306 -32.151 29.281 1.00 42.20 ATOM 704 HA LYS 46 17.290 -32.864 28.464 1.00 34.30 ATOM 705 CB LYS 46 18.758 -31.911 29.702 1.00 71.42 ATOM 706 HB1 LYS 46 18.794 -31.391 30.649 1.00 37.41 ATOM 707 HB2 LYS 46 19.228 -31.295 28.949 1.00 4.04 ATOM 708 CG LYS 46 19.577 -33.186 29.812 1.00 2.45 ATOM 709 HG1 LYS 46 19.598 -33.668 28.845 1.00 37.41 ATOM 710 HG2 LYS 46 19.092 -33.834 30.522 1.00 55.22 ATOM 711 CD LYS 46 21.003 -32.895 30.249 1.00 23.42 ATOM 712 HD1 LYS 46 21.107 -31.852 30.527 1.00 37.41 ATOM 713 HD2 LYS 46 21.664 -33.107 29.422 1.00 74.41 ATOM 714 CE LYS 46 21.413 -33.766 31.427 1.00 5.43 ATOM 715 HE1 LYS 46 22.436 -34.076 31.274 1.00 37.41 ATOM 716 HE2 LYS 46 20.791 -34.642 31.488 1.00 13.23 ATOM 717 NZ LYS 46 21.337 -33.025 32.717 1.00 43.10 ATOM 718 HZ1 LYS 46 21.971 -32.199 32.698 1.00 72.23 ATOM 719 HZ2 LYS 46 21.623 -33.646 33.500 1.00 5.54 ATOM 720 HZ3 LYS 46 20.363 -32.698 32.890 1.00 60.41 ATOM 721 C LYS 46 16.516 -32.730 30.450 1.00 11.11 ATOM 722 O LYS 46 15.943 -33.815 30.347 1.00 12.34 ATOM 723 N ASP 47 16.489 -31.999 31.559 1.00 34.53 ATOM 724 HN ASP 47 16.931 -31.119 31.562 1.00 37.41 ATOM 725 CA ASP 47 15.766 -32.440 32.747 1.00 1.31 ATOM 726 HA ASP 47 16.244 -33.337 33.115 1.00 73.25 ATOM 727 CB ASP 47 15.827 -31.366 33.834 1.00 10.34 ATOM 728 HB1 ASP 47 15.390 -31.756 34.743 1.00 37.41 ATOM 729 HB2 ASP 47 15.267 -30.497 33.514 1.00 44.32 ATOM 730 CG ASP 47 17.247 -30.928 34.137 1.00 34.10 ATOM 731 OD1 ASP 47 17.945 -31.652 34.877 1.00 10.52 ATOM 732 OD2 ASP 47 17.659 -29.862 33.634 1.00 10.44 ATOM 733 C ASP 47 14.313 -32.760 32.412 1.00 52.34 ATOM 734 O ASP 47 13.740 -33.715 32.935 1.00 40.52 ATOM 735 N GLY 48 13.721 -31.953 31.536 1.00 42.04 ATOM 736 HN GLY 48 14.209 -31.191 31.153 1.00 37.41 ATOM 737 CA GLY 48 12.339 -32.166 31.146 1.00 25.05 ATOM 738 HA1 GLY 48 12.104 -33.215 31.168 1.00 37.41 ATOM 739 HA2 GLY 48 12.222 -31.816 30.130 1.00 22.24 ATOM 740 C GLY 48 11.366 -31.402 32.022 1.00 21.22 ATOM 741 O GLY 48 10.207 -31.210 31.654 1.00 63.11 ATOM 742 N VAL 49 11.837 -30.966 33.187 1.00 75.25 ATOM 743 HN VAL 49 12.768 -31.106 33.414 1.00 37.41 ATOM 744 CA VAL 49 10.999 -30.220 34.118 1.00 44.40 ATOM 745 HA VAL 49 10.238 -30.892 34.492 1.00 60.20 ATOM 746 CB VAL 49 11.818 -29.696 35.313 1.00 44.24 ATOM 747 HB VAL 49 12.559 -28.999 34.945 1.00 12.24 ATOM 748 CG1 VAL 49 10.920 -28.959 36.294 1.00 32.23 ATOM 749 HG11 VAL 49 10.070 -29.576 36.554 1.00 54.33 ATOM 750 HG12 VAL 49 10.578 -28.043 35.848 1.00 34.34 ATOM 751 HG13 VAL 49 11.476 -28.723 37.192 1.00 51.40 ATOM 752 CG2 VAL 49 12.548 -30.840 36.000 1.00 2.33 ATOM 753 HG21 VAL 49 13.035 -30.478 36.896 1.00 61.13 ATOM 754 HG22 VAL 49 13.293 -31.250 35.338 1.00 31.14 ATOM 755 HG23 VAL 49 11.843 -31.607 36.264 1.00 73.54 ATOM 756 C VAL 49 10.321 -29.043 33.426 1.00 44.35 ATOM 757 O VAL 49 9.226 -28.631 33.808 1.00 41.35 ATOM 758 N VAL 50 10.980 -28.505 32.404 1.00 60.04 ATOM 759 HN VAL 50 11.873 -28.837 32.162 1.00 37.41 ATOM 760 CA VAL 50 10.440 -27.376 31.656 1.00 45.24 ATOM 761 HA VAL 50 9.919 -26.720 32.347 1.00 62.22 ATOM 762 CB VAL 50 11.561 -26.564 30.979 1.00 10.11 ATOM 763 HB VAL 50 12.094 -27.214 30.298 1.00 63.44 ATOM 764 CG1 VAL 50 10.976 -25.412 30.177 1.00 51.32 ATOM 765 HG11 VAL 50 11.783 -24.856 29.724 1.00 4.22 ATOM 766 HG12 VAL 50 10.411 -24.760 30.827 1.00 10.53 ATOM 767 HG13 VAL 50 10.334 -25.785 29.394 1.00 63.30 ATOM 768 CG2 VAL 50 12.550 -26.054 32.017 1.00 72.15 ATOM 769 HG21 VAL 50 12.052 -25.373 32.693 1.00 30.35 ATOM 770 HG22 VAL 50 13.358 -25.543 31.521 1.00 74.45 ATOM 771 HG23 VAL 50 12.953 -26.885 32.579 1.00 13.13 ATOM 772 C VAL 50 9.453 -27.843 30.592 1.00 11.52 ATOM 773 O VAL 50 8.489 -27.144 30.274 1.00 5.23 ATOM 774 N LEU 51 9.698 -29.028 30.045 1.00 33.01 ATOM 775 HN LEU 51 10.502 -29.525 30.306 1.00 37.41 ATOM 776 CA LEU 51 8.829 -29.590 29.016 1.00 23.04 ATOM 777 HA LEU 51 8.812 -28.899 28.189 1.00 45.44 ATOM 778 CB LEU 51 9.367 -30.944 28.551 1.00 63.20 ATOM 779 HB1 LEU 51 8.535 -31.581 28.288 1.00 37.41 ATOM 780 HB2 LEU 51 9.882 -31.407 29.376 1.00 72.12 ATOM 781 CG LEU 51 10.320 -30.913 27.355 1.00 1.14 ATOM 782 HG LEU 51 11.122 -30.218 27.561 1.00 45.43 ATOM 783 CD1 LEU 51 10.936 -32.285 27.127 1.00 14.34 ATOM 784 HD11 LEU 51 11.587 -32.249 26.269 1.00 4.54 ATOM 785 HD12 LEU 51 10.156 -33.014 26.955 1.00 41.32 ATOM 786 HD13 LEU 51 11.506 -32.567 27.998 1.00 52.23 ATOM 787 CD2 LEU 51 9.593 -30.438 26.106 1.00 75.41 ATOM 788 HD21 LEU 51 10.275 -30.438 25.266 1.00 14.40 ATOM 789 HD22 LEU 51 9.219 -29.438 26.254 1.00 12.45 ATOM 790 HD23 LEU 51 8.789 -31.087 25.903 1.00 3.31 ATOM 791 C LEU 51 7.403 -29.747 29.534 1.00 22.31 ATOM 792 O LEU 51 6.453 -29.252 28.926 1.00 5.55 ATOM 793 N CYS 52 7.261 -30.438 30.660 1.00 51.31 ATOM 794 HN CYS 52 8.062 -30.814 31.098 1.00 37.41 ATOM 795 CA CYS 52 5.950 -30.659 31.261 1.00 63.13 ATOM 796 HA CYS 52 5.356 -31.233 30.561 1.00 60.33 ATOM 797 CB CYS 52 6.092 -31.433 32.572 1.00 14.23 ATOM 798 HB1 CYS 52 5.324 -31.123 33.271 1.00 37.41 ATOM 799 HB2 CYS 52 7.060 -31.228 33.005 1.00 72.12 ATOM 800 SG CYS 52 5.949 -33.226 32.391 1.00 72.14 ATOM 801 HG CYS 52 7.156 -33.750 32.546 1.00 32.01 ATOM 802 C CYS 52 5.237 -29.335 31.512 1.00 54.23 ATOM 803 O CYS 52 4.073 -29.166 31.147 1.00 60.45 ATOM 804 N ARG 53 5.941 -28.398 32.139 1.00 62.44 ATOM 805 HN ARG 53 6.868 -28.594 32.415 1.00 37.41 ATOM 806 CA ARG 53 5.374 -27.090 32.441 1.00 10.13 ATOM 807 HA ARG 53 4.584 -27.229 33.167 1.00 71.45 ATOM 808 CB ARG 53 6.445 -26.170 33.029 1.00 3.42 ATOM 809 HB1 ARG 53 6.110 -25.141 32.969 1.00 37.41 ATOM 810 HB2 ARG 53 7.350 -26.276 32.445 1.00 50.11 ATOM 811 CG ARG 53 6.770 -26.465 34.484 1.00 24.12 ATOM 812 HG1 ARG 53 6.980 -27.521 34.593 1.00 37.41 ATOM 813 HG2 ARG 53 5.919 -26.203 35.093 1.00 51.43 ATOM 814 CD ARG 53 7.980 -25.674 34.957 1.00 40.14 ATOM 815 HD1 ARG 53 7.740 -24.621 34.954 1.00 37.41 ATOM 816 HD2 ARG 53 8.799 -25.851 34.270 1.00 72.41 ATOM 817 NE ARG 53 8.411 -26.078 36.292 1.00 21.31 ATOM 818 HE ARG 53 9.195 -26.656 36.355 1.00 53.13 ATOM 819 CZ ARG 53 7.799 -25.699 37.408 1.00 12.02 ATOM 820 NH1 ARG 53 6.734 -24.911 37.349 1.00 4.44 ATOM 821 HH11 ARG 53 6.369 -24.587 36.481 1.00 70.21 ATOM 822 HH12 ARG 53 6.281 -24.631 38.198 1.00 25.43 ATOM 823 NH2 ARG 53 8.251 -26.109 38.587 1.00 51.25 ATOM 824 HH21 ARG 53 9.055 -26.705 38.639 1.00 70.32 ATOM 825 HH22 ARG 53 7.791 -25.824 39.430 1.00 53.32 ATOM 826 C ARG 53 4.774 -26.455 31.190 1.00 34.03 ATOM 827 O ARG 53 3.662 -25.924 31.223 1.00 65.35 ATOM 828 N LEU 54 5.515 -26.513 30.090 1.00 44.31 ATOM 829 HN LEU 54 6.403 -26.942 30.126 1.00 37.41 ATOM 830 CA LEU 54 5.057 -25.943 28.827 1.00 20.15 ATOM 831 HA LEU 54 4.948 -24.876 28.960 1.00 44.41 ATOM 832 CB LEU 54 6.086 -26.201 27.725 1.00 31.33 ATOM 833 HB1 LEU 54 6.437 -27.214 27.826 1.00 37.41 ATOM 834 HB2 LEU 54 6.925 -25.538 27.890 1.00 34.25 ATOM 835 CG LEU 54 5.594 -26.011 26.290 1.00 21.21 ATOM 836 HG LEU 54 4.732 -26.636 26.112 1.00 43.21 ATOM 837 CD1 LEU 54 5.182 -24.566 26.054 1.00 62.42 ATOM 838 HD11 LEU 54 6.049 -23.935 26.158 1.00 10.43 ATOM 839 HD12 LEU 54 4.429 -24.271 26.772 1.00 51.42 ATOM 840 HD13 LEU 54 4.781 -24.464 25.059 1.00 34.23 ATOM 841 CD2 LEU 54 6.669 -26.430 25.298 1.00 62.30 ATOM 842 HD21 LEU 54 6.339 -26.231 24.293 1.00 55.32 ATOM 843 HD22 LEU 54 6.859 -27.488 25.404 1.00 50.22 ATOM 844 HD23 LEU 54 7.570 -25.892 25.490 1.00 35.52 ATOM 845 C LEU 54 3.707 -26.527 28.425 1.00 34.01 ATOM 846 O LEU 54 2.756 -25.792 28.154 1.00 42.13 ATOM 847 N LEU 55 3.628 -27.853 28.390 1.00 12.35 ATOM 848 HN LEU 55 4.426 -28.389 28.616 1.00 37.41 ATOM 849 CA LEU 55 2.392 -28.536 28.024 1.00 65.44 ATOM 850 HA LEU 55 2.153 -28.272 27.004 1.00 53.53 ATOM 851 CB LEU 55 2.580 -30.052 28.110 1.00 64.12 ATOM 852 HB1 LEU 55 3.021 -30.277 29.073 1.00 37.41 ATOM 853 HB2 LEU 55 3.278 -30.341 27.341 1.00 33.15 ATOM 854 CG LEU 55 1.315 -30.895 27.951 1.00 72.44 ATOM 855 HG LEU 55 0.584 -30.599 28.688 1.00 2.32 ATOM 856 CD1 LEU 55 0.703 -30.685 26.574 1.00 31.14 ATOM 857 HD11 LEU 55 0.435 -29.646 26.445 1.00 24.44 ATOM 858 HD12 LEU 55 -0.181 -31.296 26.477 1.00 42.42 ATOM 859 HD13 LEU 55 1.407 -30.966 25.835 1.00 50.35 ATOM 860 CD2 LEU 55 1.623 -32.368 28.180 1.00 12.11 ATOM 861 HD21 LEU 55 0.738 -32.859 28.555 1.00 10.04 ATOM 862 HD22 LEU 55 2.419 -32.475 28.897 1.00 12.21 ATOM 863 HD23 LEU 55 1.925 -32.838 27.252 1.00 52.53 ATOM 864 C LEU 55 1.242 -28.103 28.926 1.00 74.00 ATOM 865 O LEU 55 0.077 -28.164 28.534 1.00 32.52 ATOM 866 N GLU 56 1.577 -27.663 30.135 1.00 63.23 ATOM 867 HN GLU 56 2.511 -27.687 30.422 1.00 37.41 ATOM 868 CA GLU 56 0.571 -27.218 31.092 1.00 60.24 ATOM 869 HA GLU 56 -0.290 -27.873 31.013 1.00 24.14 ATOM 870 CB GLU 56 1.126 -27.284 32.516 1.00 15.12 ATOM 871 HB1 GLU 56 0.720 -26.462 33.097 1.00 37.41 ATOM 872 HB2 GLU 56 2.198 -27.190 32.493 1.00 60.04 ATOM 873 CG GLU 56 0.794 -28.579 33.239 1.00 3.31 ATOM 874 HG1 GLU 56 1.524 -29.313 32.960 1.00 37.41 ATOM 875 HG2 GLU 56 -0.191 -28.919 32.947 1.00 15.23 ATOM 876 CD GLU 56 0.822 -28.428 34.748 1.00 64.22 ATOM 877 OE1 GLU 56 -0.262 -28.461 35.367 1.00 42.11 ATOM 878 OE2 GLU 56 1.928 -28.277 35.309 1.00 34.51 ATOM 879 C GLU 56 0.113 -25.797 30.778 1.00 54.04 ATOM 880 O GLU 56 -1.004 -25.404 31.117 1.00 61.43 ATOM 881 N ARG 57 0.983 -25.031 30.128 1.00 11.33 ATOM 882 HN ARG 57 1.867 -25.382 29.907 1.00 37.41 ATOM 883 CA ARG 57 0.669 -23.653 29.770 1.00 50.20 ATOM 884 HA ARG 57 0.321 -23.164 30.661 1.00 3.35 ATOM 885 CB ARG 57 1.915 -22.946 29.234 1.00 25.11 ATOM 886 HB1 ARG 57 1.943 -23.020 28.154 1.00 37.41 ATOM 887 HB2 ARG 57 2.799 -23.434 29.629 1.00 21.34 ATOM 888 CG ARG 57 1.987 -21.474 29.604 1.00 4.34 ATOM 889 HG1 ARG 57 1.068 -20.990 29.316 1.00 37.41 ATOM 890 HG2 ARG 57 2.804 -21.027 29.069 1.00 64.00 ATOM 891 CD ARG 57 2.228 -21.285 31.094 1.00 63.00 ATOM 892 HD1 ARG 57 3.281 -21.401 31.283 1.00 37.41 ATOM 893 HD2 ARG 57 1.687 -22.026 31.665 1.00 42.51 ATOM 894 NE ARG 57 1.824 -19.958 31.550 1.00 42.31 ATOM 895 HE ARG 57 2.537 -19.339 31.821 1.00 22.44 ATOM 896 CZ ARG 57 0.560 -19.556 31.614 1.00 53.15 ATOM 897 NH1 ARG 57 -0.419 -20.375 31.253 1.00 45.13 ATOM 898 HH11 ARG 57 -0.245 -21.294 30.941 1.00 35.54 ATOM 899 HH12 ARG 57 -1.368 -20.054 31.297 1.00 70.24 ATOM 900 NH2 ARG 57 0.272 -18.333 32.039 1.00 14.43 ATOM 901 HH21 ARG 57 1.007 -17.709 32.313 1.00 4.54 ATOM 902 HH22 ARG 57 -0.681 -18.028 32.088 1.00 71.13 ATOM 903 C ARG 57 -0.445 -23.602 28.728 1.00 22.23 ATOM 904 O ARG 57 -1.345 -22.766 28.807 1.00 55.43 ATOM 905 N LEU 58 -0.377 -24.502 27.753 1.00 0.22 ATOM 906 HN LEU 58 0.360 -25.157 27.742 1.00 37.41 ATOM 907 CA LEU 58 -1.379 -24.560 26.695 1.00 73.12 ATOM 908 HA LEU 58 -1.819 -23.577 26.571 1.00 55.34 ATOM 909 CB LEU 58 -0.728 -24.963 25.371 1.00 53.05 ATOM 910 HB1 LEU 58 -1.411 -24.712 24.570 1.00 37.41 ATOM 911 HB2 LEU 58 -0.593 -26.041 25.375 1.00 3.31 ATOM 912 CG LEU 58 0.628 -24.325 25.068 1.00 51.33 ATOM 913 HG LEU 58 1.302 -24.500 25.892 1.00 21.14 ATOM 914 CD1 LEU 58 1.249 -24.952 23.829 1.00 33.54 ATOM 915 HD11 LEU 58 0.806 -24.530 22.939 1.00 72.11 ATOM 916 HD12 LEU 58 1.094 -26.024 23.834 1.00 13.51 ATOM 917 HD13 LEU 58 2.307 -24.752 23.828 1.00 52.33 ATOM 918 CD2 LEU 58 0.481 -22.821 24.889 1.00 4.40 ATOM 919 HD21 LEU 58 1.450 -22.383 24.691 1.00 10.11 ATOM 920 HD22 LEU 58 0.073 -22.386 25.791 1.00 30.13 ATOM 921 HD23 LEU 58 -0.182 -22.615 24.060 1.00 61.25 ATOM 922 C LEU 58 -2.489 -25.545 27.049 1.00 0.33 ATOM 923 O LEU 58 -3.673 -25.250 26.880 1.00 41.30 ATOM 924 N LEU 59 -2.099 -26.714 27.544 1.00 71.31 ATOM 925 HN LEU 59 -1.140 -26.904 27.659 1.00 37.41 ATOM 926 CA LEU 59 -3.061 -27.743 27.925 1.00 11.43 ATOM 927 HA LEU 59 -4.055 -27.423 27.664 1.00 20.24 ATOM 928 CB LEU 59 -2.765 -29.047 27.183 1.00 43.45 ATOM 929 HB1 LEU 59 -3.337 -29.844 27.649 1.00 37.41 ATOM 930 HB2 LEU 59 -1.715 -29.270 27.305 1.00 52.51 ATOM 931 CG LEU 59 -3.084 -29.055 25.687 1.00 12.12 ATOM 932 HG LEU 59 -2.472 -28.315 25.191 1.00 52.53 ATOM 933 CD1 LEU 59 -2.763 -30.412 25.080 1.00 1.23 ATOM 934 HD11 LEU 59 -3.333 -31.182 25.582 1.00 63.01 ATOM 935 HD12 LEU 59 -1.710 -30.615 25.189 1.00 34.22 ATOM 936 HD13 LEU 59 -3.015 -30.409 24.028 1.00 74.34 ATOM 937 CD2 LEU 59 -4.544 -28.695 25.452 1.00 60.52 ATOM 938 HD21 LEU 59 -5.182 -29.340 26.041 1.00 12.21 ATOM 939 HD22 LEU 59 -4.785 -28.818 24.404 1.00 61.25 ATOM 940 HD23 LEU 59 -4.715 -27.668 25.729 1.00 60.42 ATOM 941 C LEU 59 -3.032 -27.984 29.431 1.00 10.11 ATOM 942 O LEU 59 -2.528 -28.999 29.912 1.00 13.04 ATOM 943 N PRO 60 -3.587 -27.030 30.194 1.00 22.52 ATOM 944 CA PRO 60 -3.640 -27.118 31.657 1.00 45.15 ATOM 945 HA PRO 60 -2.656 -27.285 32.075 1.00 1.11 ATOM 946 CB PRO 60 -4.139 -25.733 32.077 1.00 71.41 ATOM 947 HB1 PRO 60 -3.292 -25.098 32.289 1.00 37.41 ATOM 948 HB2 PRO 60 -4.768 -25.799 32.957 1.00 41.10 ATOM 949 CG PRO 60 -4.899 -25.231 30.898 1.00 2.21 ATOM 950 HG1 PRO 60 -4.873 -24.152 30.876 1.00 37.41 ATOM 951 HG2 PRO 60 -5.920 -25.582 30.943 1.00 30.24 ATOM 952 CD PRO 60 -4.206 -25.794 29.688 1.00 2.11 ATOM 953 HD1 PRO 60 -3.459 -25.099 29.352 1.00 37.41 ATOM 954 HD2 PRO 60 -4.923 -25.997 28.909 1.00 14.31 ATOM 955 C PRO 60 -4.600 -28.200 32.138 1.00 11.23 ATOM 956 O PRO 60 -5.803 -28.131 31.890 1.00 60.15 ATOM 957 N GLY 61 -4.060 -29.199 32.830 1.00 14.11 ATOM 958 HN GLY 61 -3.097 -29.194 33.031 1.00 37.41 ATOM 959 CA GLY 61 -4.885 -30.281 33.336 1.00 4.11 ATOM 960 HA1 GLY 61 -5.937 -30.055 33.211 1.00 37.41 ATOM 961 HA2 GLY 61 -4.685 -30.393 34.391 1.00 15.30 ATOM 962 C GLY 61 -4.590 -31.602 32.654 1.00 63.11 ATOM 963 O GLY 61 -5.401 -32.527 32.697 1.00 33.32 ATOM 964 N THR 62 -3.425 -31.692 32.020 1.00 43.15 ATOM 965 HN THR 62 -2.811 -30.931 31.998 1.00 37.41 ATOM 966 CA THR 62 -3.026 -32.908 31.323 1.00 62.05 ATOM 967 HA THR 62 -3.874 -33.584 31.273 1.00 73.25 ATOM 968 CB THR 62 -2.577 -32.607 29.880 1.00 74.31 ATOM 969 HB THR 62 -1.638 -32.068 29.906 1.00 75.42 ATOM 970 OG1 THR 62 -3.554 -31.792 29.223 1.00 12.12 ATOM 971 HG1 THR 62 -4.413 -32.235 29.195 1.00 10.53 ATOM 972 CG2 THR 62 -2.375 -33.896 29.096 1.00 13.45 ATOM 973 HG21 THR 62 -2.177 -33.655 28.062 1.00 24.13 ATOM 974 HG22 THR 62 -3.266 -34.506 29.155 1.00 3.11 ATOM 975 HG23 THR 62 -1.536 -34.443 29.500 1.00 44.10 ATOM 976 C THR 62 -1.894 -33.617 32.057 1.00 4.53 ATOM 977 O THR 62 -1.740 -34.834 31.953 1.00 4.20 ATOM 978 N ILE 63 -1.104 -32.848 32.800 1.00 14.11 ATOM 979 HN ILE 63 -1.256 -31.881 32.848 1.00 37.41 ATOM 980 CA ILE 63 0.013 -33.404 33.554 1.00 52.43 ATOM 981 HA ILE 63 0.403 -34.260 33.010 1.00 21.24 ATOM 982 CB ILE 63 1.153 -32.380 33.708 1.00 53.42 ATOM 983 HB ILE 63 0.776 -31.528 34.256 1.00 30.44 ATOM 984 CG1 ILE 63 1.636 -31.911 32.334 1.00 60.23 ATOM 985 HG11 ILE 63 2.414 -31.173 32.465 1.00 37.41 ATOM 986 HG12 ILE 63 0.815 -31.464 31.794 1.00 11.32 ATOM 987 CG2 ILE 63 2.302 -32.982 34.502 1.00 12.25 ATOM 988 HG21 ILE 63 2.034 -33.024 35.547 1.00 53.41 ATOM 989 HG22 ILE 63 3.187 -32.367 34.395 1.00 73.00 ATOM 990 HG23 ILE 63 2.520 -33.981 34.152 1.00 63.02 ATOM 991 CD1 ILE 63 2.203 -33.024 31.481 1.00 64.30 ATOM 992 HD11 ILE 63 3.071 -32.655 30.955 1.00 51.10 ATOM 993 HD12 ILE 63 1.459 -33.329 30.762 1.00 75.40 ATOM 994 HD13 ILE 63 2.487 -33.879 32.073 1.00 43.31 ATOM 995 C ILE 63 -0.432 -33.864 34.938 1.00 54.04 ATOM 996 O ILE 63 -0.712 -33.047 35.814 1.00 53.54 ATOM 997 N GLU 64 -0.494 -35.178 35.127 1.00 63.42 ATOM 998 HN GLU 64 -0.248 -35.786 34.389 1.00 37.41 ATOM 999 CA GLU 64 -0.904 -35.747 36.405 1.00 21.23 ATOM 1000 HA GLU 64 -1.775 -35.208 36.757 1.00 11.22 ATOM 1001 CB GLU 64 -1.279 -37.221 36.236 1.00 15.21 ATOM 1002 HB1 GLU 64 -0.446 -37.741 35.784 1.00 37.41 ATOM 1003 HB2 GLU 64 -2.129 -37.280 35.569 1.00 53.02 ATOM 1004 CG GLU 64 -1.622 -37.916 37.543 1.00 4.33 ATOM 1005 HG1 GLU 64 -2.040 -37.196 38.237 1.00 37.41 ATOM 1006 HG2 GLU 64 -0.717 -38.329 37.961 1.00 75.43 ATOM 1007 CD GLU 64 -2.622 -39.041 37.362 1.00 43.14 ATOM 1008 OE1 GLU 64 -2.409 -39.886 36.467 1.00 0.22 ATOM 1009 OE2 GLU 64 -3.617 -39.076 38.115 1.00 75.13 ATOM 1010 C GLU 64 0.206 -35.610 37.443 1.00 3.22 ATOM 1011 O GLU 64 -0.033 -35.182 38.572 1.00 0.35 ATOM 1012 N LYS 65 1.422 -35.977 37.052 1.00 0.34 ATOM 1013 HN LYS 65 1.553 -36.334 36.141 1.00 37.41 ATOM 1014 CA LYS 65 2.571 -35.895 37.946 1.00 11.25 ATOM 1015 HA LYS 65 2.402 -35.094 38.658 1.00 33.23 ATOM 1016 CB LYS 65 2.738 -37.206 38.717 1.00 32.24 ATOM 1017 HB1 LYS 65 2.712 -38.027 38.014 1.00 37.41 ATOM 1018 HB2 LYS 65 1.904 -37.305 39.399 1.00 35.02 ATOM 1019 CG LYS 65 4.037 -37.291 39.500 1.00 51.23 ATOM 1020 HG1 LYS 65 4.331 -36.303 39.827 1.00 37.41 ATOM 1021 HG2 LYS 65 4.801 -37.696 38.852 1.00 34.31 ATOM 1022 CD LYS 65 3.892 -38.173 40.728 1.00 33.40 ATOM 1023 HD1 LYS 65 3.256 -39.020 40.496 1.00 37.41 ATOM 1024 HD2 LYS 65 3.444 -37.594 41.521 1.00 54.34 ATOM 1025 CE LYS 65 5.239 -38.696 41.201 1.00 64.40 ATOM 1026 HE1 LYS 65 5.985 -37.919 41.091 1.00 37.41 ATOM 1027 HE2 LYS 65 5.513 -39.546 40.595 1.00 51.13 ATOM 1028 NZ LYS 65 5.202 -39.115 42.630 1.00 53.43 ATOM 1029 HZ1 LYS 65 4.946 -38.309 43.237 1.00 25.45 ATOM 1030 HZ2 LYS 65 6.137 -39.466 42.921 1.00 12.14 ATOM 1031 HZ3 LYS 65 4.504 -39.876 42.766 1.00 12.32 ATOM 1032 C LYS 65 3.845 -35.585 37.168 1.00 43.22 ATOM 1033 O LYS 65 4.011 -36.023 36.029 1.00 2.13 ATOM 1034 N VAL 66 4.744 -34.828 37.789 1.00 1.14 ATOM 1035 HN VAL 66 4.550 -34.482 38.692 1.00 37.41 ATOM 1036 CA VAL 66 6.005 -34.462 37.156 1.00 50.25 ATOM 1037 HA VAL 66 6.186 -35.136 36.323 1.00 53.22 ATOM 1038 CB VAL 66 5.964 -33.020 36.616 1.00 0.31 ATOM 1039 HB VAL 66 5.010 -32.862 36.134 1.00 15.43 ATOM 1040 CG1 VAL 66 6.092 -32.020 37.755 1.00 1.41 ATOM 1041 HG11 VAL 66 5.581 -32.384 38.638 1.00 42.45 ATOM 1042 HG12 VAL 66 5.641 -31.087 37.452 1.00 32.24 ATOM 1043 HG13 VAL 66 7.131 -31.846 37.984 1.00 51.43 ATOM 1044 CG2 VAL 66 7.060 -32.806 35.583 1.00 72.53 ATOM 1045 HG21 VAL 66 7.122 -33.657 34.924 1.00 62.43 ATOM 1046 HG22 VAL 66 8.013 -32.667 36.074 1.00 33.34 ATOM 1047 HG23 VAL 66 6.833 -31.927 35.017 1.00 14.13 ATOM 1048 C VAL 66 7.169 -34.595 38.130 1.00 24.35 ATOM 1049 O VAL 66 6.974 -34.630 39.346 1.00 43.23 ATOM 1050 N TYR 67 8.380 -34.669 37.590 1.00 25.41 ATOM 1051 HN TYR 67 8.483 -34.682 36.614 1.00 37.41 ATOM 1052 CA TYR 67 9.577 -34.801 38.412 1.00 25.12 ATOM 1053 HA TYR 67 9.295 -34.983 39.434 1.00 72.31 ATOM 1054 CB TYR 67 10.416 -35.991 37.943 1.00 74.42 ATOM 1055 HB1 TYR 67 11.313 -36.051 38.547 1.00 37.41 ATOM 1056 HB2 TYR 67 10.700 -35.844 36.914 1.00 51.15 ATOM 1057 CG TYR 67 9.702 -37.319 38.062 1.00 52.04 ATOM 1058 CD1 TYR 67 9.857 -38.303 37.093 1.00 44.44 ATOM 1059 HD1 TYR 67 10.496 -38.108 36.256 1.00 20.03 ATOM 1060 CD2 TYR 67 8.871 -37.589 39.142 1.00 62.50 ATOM 1061 HD2 TYR 67 8.734 -36.850 39.914 1.00 43.21 ATOM 1062 CE1 TYR 67 9.207 -39.517 37.196 1.00 13.14 ATOM 1063 HE1 TYR 67 9.341 -40.271 36.444 1.00 22.41 ATOM 1064 CE2 TYR 67 8.218 -38.801 39.255 1.00 73.32 ATOM 1065 HE2 TYR 67 7.592 -38.996 40.101 1.00 54.05 ATOM 1066 CZ TYR 67 8.388 -39.762 38.280 1.00 45.45 ATOM 1067 OH TYR 67 7.738 -40.970 38.388 1.00 42.55 ATOM 1068 HH TYR 67 6.801 -40.855 38.202 1.00 41.24 ATOM 1069 C TYR 67 10.414 -33.526 38.365 1.00 13.21 ATOM 1070 O TYR 67 11.387 -33.418 37.619 1.00 72.03 ATOM 1071 N PRO 68 10.026 -32.535 39.182 1.00 24.33 ATOM 1072 CA PRO 68 10.726 -31.249 39.255 1.00 65.35 ATOM 1073 HA PRO 68 10.826 -30.799 38.282 1.00 40.52 ATOM 1074 CB PRO 68 9.805 -30.392 40.126 1.00 72.13 ATOM 1075 HB1 PRO 68 9.138 -29.829 39.491 1.00 37.41 ATOM 1076 HB2 PRO 68 10.379 -29.709 40.740 1.00 71.22 ATOM 1077 CG PRO 68 9.050 -31.372 40.957 1.00 42.43 ATOM 1078 HG1 PRO 68 8.087 -30.962 41.225 1.00 37.41 ATOM 1079 HG2 PRO 68 9.616 -31.614 41.845 1.00 74.12 ATOM 1080 CD PRO 68 8.876 -32.595 40.099 1.00 13.53 ATOM 1081 HD1 PRO 68 7.957 -32.530 39.577 1.00 37.41 ATOM 1082 HD2 PRO 68 8.905 -33.480 40.715 1.00 73.13 ATOM 1083 C PRO 68 12.103 -31.374 39.898 1.00 63.11 ATOM 1084 O PRO 68 12.965 -30.516 39.711 1.00 1.01 ATOM 1085 N GLU 69 12.302 -32.448 40.655 1.00 24.25 ATOM 1086 HN GLU 69 11.574 -33.089 40.809 1.00 37.41 ATOM 1087 CA GLU 69 13.575 -32.684 41.326 1.00 5.44 ATOM 1088 HA GLU 69 14.340 -32.065 40.875 1.00 42.12 ATOM 1089 CB GLU 69 13.477 -32.300 42.804 1.00 1.33 ATOM 1090 HB1 GLU 69 13.435 -31.222 42.874 1.00 37.41 ATOM 1091 HB2 GLU 69 14.368 -32.644 43.317 1.00 51.33 ATOM 1092 CG GLU 69 12.249 -32.863 43.499 1.00 32.10 ATOM 1093 HG1 GLU 69 12.087 -33.884 43.186 1.00 37.41 ATOM 1094 HG2 GLU 69 11.394 -32.267 43.218 1.00 13.14 ATOM 1095 CD GLU 69 12.371 -32.840 45.010 1.00 25.33 ATOM 1096 OE1 GLU 69 11.351 -32.589 45.685 1.00 4.02 ATOM 1097 OE2 GLU 69 13.488 -33.074 45.518 1.00 65.12 ATOM 1098 C GLU 69 13.997 -34.144 41.196 1.00 22.40 ATOM 1099 O GLU 69 13.949 -34.918 42.152 1.00 32.52 ATOM 1100 N PRO 70 14.421 -34.532 39.984 1.00 53.43 ATOM 1101 CA PRO 70 14.859 -35.901 39.698 1.00 2.04 ATOM 1102 HA PRO 70 14.110 -36.615 39.985 1.00 20.32 ATOM 1103 CB PRO 70 15.020 -35.912 38.176 1.00 4.12 ATOM 1104 HB1 PRO 70 14.106 -36.266 37.723 1.00 37.41 ATOM 1105 HB2 PRO 70 15.836 -36.556 37.889 1.00 23.02 ATOM 1106 CG PRO 70 15.281 -34.491 37.813 1.00 42.03 ATOM 1107 HG1 PRO 70 14.935 -34.299 36.808 1.00 37.41 ATOM 1108 HG2 PRO 70 16.337 -34.279 37.894 1.00 44.05 ATOM 1109 CD PRO 70 14.505 -33.662 38.798 1.00 33.22 ATOM 1110 HD1 PRO 70 13.531 -33.435 38.415 1.00 37.41 ATOM 1111 HD2 PRO 70 15.045 -32.754 39.017 1.00 63.13 ATOM 1112 C PRO 70 16.182 -36.239 40.377 1.00 64.14 ATOM 1113 O PRO 70 17.059 -35.385 40.510 1.00 54.33 ATOM 1114 N ARG 71 16.321 -37.490 40.803 1.00 34.23 ATOM 1115 HN ARG 71 15.575 -38.123 40.698 1.00 37.41 ATOM 1116 CA ARG 71 17.537 -37.941 41.468 1.00 2.55 ATOM 1117 HA ARG 71 18.223 -37.107 41.568 1.00 20.25 ATOM 1118 CB ARG 71 17.211 -38.484 42.861 1.00 43.11 ATOM 1119 HB1 ARG 71 17.925 -39.255 43.129 1.00 37.41 ATOM 1120 HB2 ARG 71 16.222 -38.921 42.852 1.00 32.41 ATOM 1121 CG ARG 71 17.252 -37.427 43.952 1.00 14.51 ATOM 1122 HG1 ARG 71 18.258 -37.045 44.030 1.00 37.41 ATOM 1123 HG2 ARG 71 16.965 -37.881 44.889 1.00 31.31 ATOM 1124 CD ARG 71 16.301 -36.279 43.651 1.00 15.20 ATOM 1125 HD1 ARG 71 15.321 -36.678 43.425 1.00 37.41 ATOM 1126 HD2 ARG 71 16.667 -35.735 42.808 1.00 31.34 ATOM 1127 NE ARG 71 16.179 -35.358 44.778 1.00 22.44 ATOM 1128 HE ARG 71 15.356 -35.405 45.312 1.00 5.34 ATOM 1129 CZ ARG 71 17.114 -34.475 45.109 1.00 11.54 ATOM 1130 NH1 ARG 71 18.233 -34.392 44.403 1.00 54.44 ATOM 1131 HH11 ARG 71 18.403 -34.975 43.616 1.00 61.10 ATOM 1132 HH12 ARG 71 18.932 -33.723 44.667 1.00 23.22 ATOM 1133 NH2 ARG 71 16.930 -33.671 46.149 1.00 4.12 ATOM 1134 HH21 ARG 71 16.086 -33.728 46.687 1.00 22.43 ATOM 1135 HH22 ARG 71 17.634 -33.004 46.401 1.00 63.34 ATOM 1136 C ARG 71 18.242 -39.014 40.644 1.00 2.22 ATOM 1137 O ARG 71 19.452 -39.209 40.765 1.00 54.43 ATOM 1138 N SER 72 17.477 -39.708 39.807 1.00 3.53 ATOM 1139 HN SER 72 16.517 -39.535 39.746 1.00 37.41 ATOM 1140 CA SER 72 18.027 -40.764 38.966 1.00 24.01 ATOM 1141 HA SER 72 19.085 -40.875 39.170 1.00 12.23 ATOM 1142 CB SER 72 17.339 -42.096 39.269 1.00 62.41 ATOM 1143 HB1 SER 72 18.022 -42.905 39.055 1.00 37.41 ATOM 1144 HB2 SER 72 16.449 -42.207 38.660 1.00 1.13 ATOM 1145 OG SER 72 16.957 -42.175 40.631 1.00 23.13 ATOM 1146 HG SER 72 16.123 -41.717 40.760 1.00 30.15 ATOM 1147 C SER 72 17.868 -40.420 37.488 1.00 34.43 ATOM 1148 O SER 72 17.370 -39.350 37.140 1.00 71.43 ATOM 1149 N GLU 73 18.294 -41.337 36.625 1.00 51.24 ATOM 1150 HN GLU 73 18.686 -42.178 36.961 1.00 37.41 ATOM 1151 CA GLU 73 18.199 -41.131 35.184 1.00 10.42 ATOM 1152 HA GLU 73 18.423 -40.091 34.973 1.00 32.11 ATOM 1153 CB GLU 73 19.215 -42.010 34.453 1.00 61.13 ATOM 1154 HB1 GLU 73 18.909 -43.047 34.538 1.00 37.41 ATOM 1155 HB2 GLU 73 20.177 -41.892 34.933 1.00 54.12 ATOM 1156 CG GLU 73 19.379 -41.658 32.984 1.00 51.03 ATOM 1157 HG1 GLU 73 20.150 -40.908 32.908 1.00 37.41 ATOM 1158 HG2 GLU 73 18.454 -41.263 32.587 1.00 72.20 ATOM 1159 CD GLU 73 19.787 -42.850 32.140 1.00 74.11 ATOM 1160 OE1 GLU 73 20.959 -42.900 31.712 1.00 52.02 ATOM 1161 OE2 GLU 73 18.934 -43.732 31.908 1.00 62.55 ATOM 1162 C GLU 73 16.791 -41.436 34.682 1.00 33.44 ATOM 1163 O GLU 73 16.244 -40.709 33.853 1.00 30.04 ATOM 1164 N SER 74 16.210 -42.518 35.191 1.00 74.31 ATOM 1165 HN SER 74 16.702 -43.073 35.842 1.00 37.41 ATOM 1166 CA SER 74 14.867 -42.924 34.792 1.00 51.22 ATOM 1167 HA SER 74 14.903 -43.218 33.753 1.00 2.12 ATOM 1168 CB SER 74 14.401 -44.116 35.629 1.00 24.54 ATOM 1169 HB1 SER 74 14.617 -43.929 36.671 1.00 37.41 ATOM 1170 HB2 SER 74 14.924 -45.005 35.308 1.00 1.24 ATOM 1171 OG SER 74 13.008 -44.328 35.485 1.00 13.13 ATOM 1172 HG SER 74 12.836 -44.803 34.667 1.00 64.45 ATOM 1173 C SER 74 13.883 -41.768 34.942 1.00 40.51 ATOM 1174 O SER 74 13.103 -41.481 34.034 1.00 21.23 ATOM 1175 N GLU 75 13.927 -41.107 36.095 1.00 71.21 ATOM 1176 HN GLU 75 14.573 -41.386 36.788 1.00 37.41 ATOM 1177 CA GLU 75 13.039 -39.983 36.365 1.00 52.44 ATOM 1178 HA GLU 75 12.018 -40.325 36.247 1.00 43.34 ATOM 1179 CB GLU 75 13.243 -39.474 37.793 1.00 35.44 ATOM 1180 HB1 GLU 75 13.008 -38.415 37.830 1.00 37.41 ATOM 1181 HB2 GLU 75 14.280 -39.606 38.071 1.00 14.11 ATOM 1182 CG GLU 75 12.384 -40.191 38.822 1.00 2.24 ATOM 1183 HG1 GLU 75 12.950 -41.017 39.226 1.00 37.41 ATOM 1184 HG2 GLU 75 11.487 -40.570 38.350 1.00 73.52 ATOM 1185 CD GLU 75 11.971 -39.287 39.968 1.00 73.31 ATOM 1186 OE1 GLU 75 10.809 -39.391 40.415 1.00 40.12 ATOM 1187 OE2 GLU 75 12.808 -38.477 40.417 1.00 32.12 ATOM 1188 C GLU 75 13.279 -38.849 35.371 1.00 33.51 ATOM 1189 O GLU 75 12.334 -38.251 34.855 1.00 35.44 ATOM 1190 N CYS 76 14.548 -38.560 35.108 1.00 22.13 ATOM 1191 HN CYS 76 15.265 -39.064 35.562 1.00 37.41 ATOM 1192 CA CYS 76 14.913 -37.498 34.178 1.00 44.13 ATOM 1193 HA CYS 76 14.561 -36.560 34.586 1.00 14.22 ATOM 1194 CB CYS 76 16.432 -37.437 34.011 1.00 25.42 ATOM 1195 HB1 CYS 76 16.678 -36.811 33.162 1.00 37.41 ATOM 1196 HB2 CYS 76 16.814 -38.426 33.838 1.00 14.45 ATOM 1197 SG CYS 76 17.305 -36.758 35.442 1.00 64.24 ATOM 1198 HG CYS 76 17.756 -35.556 35.114 1.00 20.24 ATOM 1199 C CYS 76 14.249 -37.711 32.821 1.00 0.05 ATOM 1200 O CYS 76 13.651 -36.792 32.260 1.00 64.14 ATOM 1201 N LEU 77 14.359 -38.928 32.300 1.00 54.33 ATOM 1202 HN LEU 77 14.849 -39.625 32.798 1.00 37.41 ATOM 1203 CA LEU 77 13.770 -39.262 31.007 1.00 13.25 ATOM 1204 HA LEU 77 14.083 -38.516 30.287 1.00 4.44 ATOM 1205 CB LEU 77 14.263 -40.632 30.539 1.00 31.02 ATOM 1206 HB1 LEU 77 13.693 -40.928 29.664 1.00 37.41 ATOM 1207 HB2 LEU 77 14.046 -41.337 31.333 1.00 11.21 ATOM 1208 CG LEU 77 15.751 -40.730 30.200 1.00 33.14 ATOM 1209 HG LEU 77 16.325 -40.226 30.965 1.00 10.24 ATOM 1210 CD1 LEU 77 16.196 -42.184 30.168 1.00 41.23 ATOM 1211 HD11 LEU 77 15.647 -42.718 29.404 1.00 14.15 ATOM 1212 HD12 LEU 77 16.009 -42.642 31.130 1.00 10.13 ATOM 1213 HD13 LEU 77 17.254 -42.235 29.951 1.00 51.22 ATOM 1214 CD2 LEU 77 16.041 -40.051 28.870 1.00 75.55 ATOM 1215 HD21 LEU 77 17.027 -40.306 28.525 1.00 14.35 ATOM 1216 HD22 LEU 77 15.964 -38.988 29.003 1.00 22.12 ATOM 1217 HD23 LEU 77 15.316 -40.370 28.130 1.00 4.34 ATOM 1218 C LEU 77 12.246 -39.256 31.086 1.00 64.45 ATOM 1219 O LEU 77 11.564 -39.047 30.082 1.00 22.44 ATOM 1220 N SER 78 11.720 -39.486 32.284 1.00 15.52 ATOM 1221 HN SER 78 12.306 -39.683 33.043 1.00 37.41 ATOM 1222 CA SER 78 10.277 -39.509 32.493 1.00 14.42 ATOM 1223 HA SER 78 9.848 -40.237 31.816 1.00 72.22 ATOM 1224 CB SER 78 9.955 -39.925 33.930 1.00 74.34 ATOM 1225 HB1 SER 78 9.967 -39.063 34.565 1.00 37.41 ATOM 1226 HB2 SER 78 10.697 -40.633 34.277 1.00 33.21 ATOM 1227 OG SER 78 8.677 -40.532 34.010 1.00 34.13 ATOM 1228 HG SER 78 8.713 -41.296 34.592 1.00 44.31 ATOM 1229 C SER 78 9.663 -38.143 32.198 1.00 30.30 ATOM 1230 O SER 78 8.615 -38.046 31.561 1.00 31.42 ATOM 1231 N ASN 79 10.325 -37.090 32.666 1.00 30.35 ATOM 1232 HN ASN 79 11.153 -37.228 33.185 1.00 37.41 ATOM 1233 CA ASN 79 9.845 -35.730 32.454 1.00 44.50 ATOM 1234 HA ASN 79 8.920 -35.614 33.001 1.00 64.14 ATOM 1235 CB ASN 79 10.874 -34.718 32.964 1.00 65.44 ATOM 1236 HB1 ASN 79 10.662 -33.767 32.527 1.00 37.41 ATOM 1237 HB2 ASN 79 11.859 -35.039 32.676 1.00 51.52 ATOM 1238 CG ASN 79 10.822 -34.549 34.470 1.00 62.53 ATOM 1239 OD1 ASN 79 9.766 -34.692 35.085 1.00 15.02 ATOM 1240 ND2 ASN 79 11.966 -34.244 35.071 1.00 42.33 ATOM 1241 HD21 ASN 79 12.780 -34.142 34.528 1.00 52.44 ATOM 1242 HD22 ASN 79 11.954 -34.134 36.043 1.00 62.31 ATOM 1243 C ASN 79 9.558 -35.479 30.977 1.00 53.42 ATOM 1244 O ASN 79 8.612 -34.770 30.630 1.00 71.50 ATOM 1245 N ILE 80 10.379 -36.064 30.112 1.00 21.20 ATOM 1246 HN ILE 80 11.131 -36.610 30.441 1.00 37.41 ATOM 1247 CA ILE 80 10.212 -35.906 28.673 1.00 53.52 ATOM 1248 HA ILE 80 9.963 -34.869 28.468 1.00 2.42 ATOM 1249 CB ILE 80 11.508 -36.246 27.914 1.00 3.34 ATOM 1250 HB ILE 80 11.753 -37.282 28.113 1.00 24.25 ATOM 1251 CG1 ILE 80 12.655 -35.355 28.396 1.00 42.54 ATOM 1252 HG11 ILE 80 12.627 -35.267 29.474 1.00 37.41 ATOM 1253 HG12 ILE 80 12.561 -34.373 27.967 1.00 34.24 ATOM 1254 CG2 ILE 80 11.302 -36.089 26.415 1.00 33.03 ATOM 1255 HG21 ILE 80 10.720 -36.917 26.039 1.00 73.14 ATOM 1256 HG22 ILE 80 12.255 -36.074 25.908 1.00 44.35 ATOM 1257 HG23 ILE 80 10.781 -35.163 26.208 1.00 73.42 ATOM 1258 CD1 ILE 80 14.025 -35.885 28.035 1.00 20.53 ATOM 1259 HD11 ILE 80 14.779 -35.189 28.371 1.00 74.34 ATOM 1260 HD12 ILE 80 14.101 -36.009 26.966 1.00 43.11 ATOM 1261 HD13 ILE 80 14.179 -36.838 28.518 1.00 22.21 ATOM 1262 C ILE 80 9.084 -36.788 28.150 1.00 73.31 ATOM 1263 O ILE 80 8.264 -36.352 27.342 1.00 52.21 ATOM 1264 N ARG 81 9.047 -38.032 28.618 1.00 45.23 ATOM 1265 HN ARG 81 9.740 -38.332 29.253 1.00 37.41 ATOM 1266 CA ARG 81 8.019 -38.976 28.198 1.00 64.41 ATOM 1267 HA ARG 81 8.145 -39.161 27.144 1.00 51.31 ATOM 1268 CB ARG 81 8.162 -40.292 28.965 1.00 60.33 ATOM 1269 HB1 ARG 81 7.182 -40.730 29.122 1.00 37.41 ATOM 1270 HB2 ARG 81 8.601 -40.084 29.933 1.00 63.40 ATOM 1271 CG ARG 81 9.013 -41.327 28.246 1.00 12.23 ATOM 1272 HG1 ARG 81 9.826 -40.831 27.731 1.00 37.41 ATOM 1273 HG2 ARG 81 8.398 -41.848 27.527 1.00 44.22 ATOM 1274 CD ARG 81 9.602 -42.336 29.219 1.00 72.40 ATOM 1275 HD1 ARG 81 9.891 -41.830 30.132 1.00 37.41 ATOM 1276 HD2 ARG 81 10.486 -42.772 28.775 1.00 73.41 ATOM 1277 NE ARG 81 8.652 -43.395 29.551 1.00 11.35 ATOM 1278 HE ARG 81 8.212 -43.347 30.428 1.00 52.40 ATOM 1279 CZ ARG 81 8.360 -44.402 28.737 1.00 73.51 ATOM 1280 NH1 ARG 81 8.941 -44.489 27.548 1.00 10.44 ATOM 1281 HH11 ARG 81 9.601 -43.812 27.236 1.00 15.14 ATOM 1282 HH12 ARG 81 8.713 -45.255 26.943 1.00 21.24 ATOM 1283 NH2 ARG 81 7.485 -45.327 29.111 1.00 74.20 ATOM 1284 HH21 ARG 81 7.049 -45.275 30.010 1.00 15.33 ATOM 1285 HH22 ARG 81 7.256 -46.082 28.493 1.00 2.14 ATOM 1286 C ARG 81 6.625 -38.396 28.417 1.00 4.24 ATOM 1287 O ARG 81 5.780 -38.432 27.524 1.00 44.03 ATOM 1288 N GLU 82 6.394 -37.862 29.613 1.00 73.04 ATOM 1289 HN GLU 82 7.111 -37.874 30.291 1.00 37.41 ATOM 1290 CA GLU 82 5.102 -37.275 29.949 1.00 33.40 ATOM 1291 HA GLU 82 4.367 -38.069 29.926 1.00 13.02 ATOM 1292 CB GLU 82 5.148 -36.652 31.346 1.00 51.15 ATOM 1293 HB1 GLU 82 4.921 -35.603 31.274 1.00 37.41 ATOM 1294 HB2 GLU 82 6.137 -36.758 31.769 1.00 32.41 ATOM 1295 CG GLU 82 4.152 -37.262 32.318 1.00 63.12 ATOM 1296 HG1 GLU 82 3.158 -37.171 31.903 1.00 37.41 ATOM 1297 HG2 GLU 82 4.201 -36.719 33.250 1.00 41.44 ATOM 1298 CD GLU 82 4.432 -38.726 32.597 1.00 31.00 ATOM 1299 OE1 GLU 82 5.619 -39.084 32.751 1.00 54.12 ATOM 1300 OE2 GLU 82 3.465 -39.514 32.662 1.00 41.55 ATOM 1301 C GLU 82 4.699 -36.221 28.922 1.00 1.22 ATOM 1302 O GLU 82 3.601 -36.266 28.367 1.00 21.01 ATOM 1303 N PHE 83 5.596 -35.272 28.675 1.00 13.51 ATOM 1304 HN PHE 83 6.460 -35.289 29.154 1.00 37.41 ATOM 1305 CA PHE 83 5.334 -34.204 27.717 1.00 64.04 ATOM 1306 HA PHE 83 4.518 -33.606 28.097 1.00 32.52 ATOM 1307 CB PHE 83 6.570 -33.315 27.562 1.00 11.33 ATOM 1308 HB1 PHE 83 7.429 -33.943 27.361 1.00 37.41 ATOM 1309 HB2 PHE 83 6.735 -32.788 28.493 1.00 10.33 ATOM 1310 CG PHE 83 6.446 -32.302 26.460 1.00 15.22 ATOM 1311 CD1 PHE 83 6.989 -32.549 25.210 1.00 55.13 ATOM 1312 HD1 PHE 83 7.506 -33.481 25.027 1.00 3.50 ATOM 1313 CD2 PHE 83 5.786 -31.102 26.675 1.00 70.40 ATOM 1314 HD2 PHE 83 5.352 -30.901 27.642 1.00 60.51 ATOM 1315 CE1 PHE 83 6.876 -31.619 24.193 1.00 35.11 ATOM 1316 HE1 PHE 83 7.304 -31.824 23.223 1.00 21.44 ATOM 1317 CE2 PHE 83 5.669 -30.169 25.662 1.00 25.13 ATOM 1318 HE2 PHE 83 5.153 -29.238 25.842 1.00 15.24 ATOM 1319 CZ PHE 83 6.216 -30.427 24.420 1.00 30.22 ATOM 1320 HZ PHE 83 6.145 -29.706 23.630 1.00 11.24 ATOM 1321 C PHE 83 4.934 -34.777 26.360 1.00 15.14 ATOM 1322 O PHE 83 4.155 -34.171 25.623 1.00 11.21 ATOM 1323 N LEU 84 5.471 -35.948 26.037 1.00 1.15 ATOM 1324 HN LEU 84 6.114 -36.377 26.643 1.00 37.41 ATOM 1325 CA LEU 84 5.171 -36.604 24.770 1.00 72.14 ATOM 1326 HA LEU 84 5.080 -35.846 24.001 1.00 75.32 ATOM 1327 CB LEU 84 6.306 -37.554 24.383 1.00 41.43 ATOM 1328 HB1 LEU 84 6.052 -38.028 23.441 1.00 37.41 ATOM 1329 HB2 LEU 84 6.355 -38.327 25.141 1.00 42.54 ATOM 1330 CG LEU 84 7.693 -36.923 24.252 1.00 60.32 ATOM 1331 HG LEU 84 7.846 -36.221 25.053 1.00 54.14 ATOM 1332 CD1 LEU 84 8.775 -37.988 24.351 1.00 14.30 ATOM 1333 HD11 LEU 84 8.579 -38.777 23.641 1.00 41.53 ATOM 1334 HD12 LEU 84 8.780 -38.398 25.344 1.00 55.25 ATOM 1335 HD13 LEU 84 9.743 -37.551 24.145 1.00 11.43 ATOM 1336 CD2 LEU 84 7.811 -36.161 22.940 1.00 71.20 ATOM 1337 HD21 LEU 84 7.037 -36.456 22.255 1.00 12.52 ATOM 1338 HD22 LEU 84 8.769 -36.356 22.494 1.00 71.41 ATOM 1339 HD23 LEU 84 7.721 -35.104 23.140 1.00 51.41 ATOM 1340 C LEU 84 3.856 -37.373 24.852 1.00 12.52 ATOM 1341 O LEU 84 3.163 -37.546 23.849 1.00 30.35 ATOM 1342 N ARG 85 3.517 -37.829 26.054 1.00 43.52 ATOM 1343 HN ARG 85 4.118 -37.693 26.813 1.00 37.41 ATOM 1344 CA ARG 85 2.285 -38.577 26.267 1.00 32.34 ATOM 1345 HA ARG 85 2.179 -39.289 25.454 1.00 41.12 ATOM 1346 CB ARG 85 2.348 -39.336 27.594 1.00 34.41 ATOM 1347 HB1 ARG 85 1.974 -38.711 28.396 1.00 37.41 ATOM 1348 HB2 ARG 85 3.385 -39.574 27.802 1.00 70.42 ATOM 1349 CG ARG 85 1.555 -40.633 27.592 1.00 72.20 ATOM 1350 HG1 ARG 85 1.716 -41.152 26.656 1.00 37.41 ATOM 1351 HG2 ARG 85 0.506 -40.402 27.700 1.00 0.31 ATOM 1352 CD ARG 85 1.976 -41.546 28.733 1.00 1.42 ATOM 1353 HD1 ARG 85 1.266 -42.357 28.803 1.00 37.41 ATOM 1354 HD2 ARG 85 1.965 -40.983 29.658 1.00 63.33 ATOM 1355 NE ARG 85 3.309 -42.104 28.524 1.00 70.54 ATOM 1356 HE ARG 85 3.750 -41.936 27.658 1.00 44.40 ATOM 1357 CZ ARG 85 3.955 -42.825 29.434 1.00 43.34 ATOM 1358 NH1 ARG 85 3.394 -43.072 30.609 1.00 71.41 ATOM 1359 HH11 ARG 85 2.484 -42.728 30.835 1.00 45.00 ATOM 1360 HH12 ARG 85 3.890 -43.616 31.290 1.00 42.00 ATOM 1361 NH2 ARG 85 5.166 -43.299 29.169 1.00 72.25 ATOM 1362 HH21 ARG 85 5.598 -43.123 28.282 1.00 42.34 ATOM 1363 HH22 ARG 85 5.654 -43.815 29.865 1.00 44.21 ATOM 1364 C ARG 85 1.075 -37.647 26.258 1.00 61.30 ATOM 1365 O ARG 85 -0.027 -38.049 25.886 1.00 23.02 ATOM 1366 N GLY 86 1.289 -36.402 26.671 1.00 43.54 ATOM 1367 HN GLY 86 2.178 -36.123 26.981 1.00 37.41 ATOM 1368 CA GLY 86 0.208 -35.434 26.702 1.00 32.45 ATOM 1369 HA1 GLY 86 0.460 -34.664 27.405 1.00 37.41 ATOM 1370 HA2 GLY 86 -0.704 -35.916 27.034 1.00 2.43 ATOM 1371 C GLY 86 -0.040 -34.797 25.350 1.00 74.44 ATOM 1372 O GLY 86 -1.163 -34.818 24.843 1.00 63.02 ATOM 1373 N CYS 87 1.008 -34.229 24.764 1.00 13.21 ATOM 1374 HN CYS 87 1.884 -34.247 25.221 1.00 37.41 ATOM 1375 CA CYS 87 0.898 -33.580 23.462 1.00 34.22 ATOM 1376 HA CYS 87 0.178 -32.776 23.549 1.00 44.01 ATOM 1377 CB CYS 87 2.252 -33.011 23.037 1.00 53.22 ATOM 1378 HB1 CYS 87 2.323 -32.996 21.955 1.00 37.41 ATOM 1379 HB2 CYS 87 3.044 -33.633 23.429 1.00 34.43 ATOM 1380 SG CYS 87 2.556 -31.323 23.609 1.00 15.14 ATOM 1381 HG CYS 87 1.415 -30.653 23.531 1.00 5.44 ATOM 1382 C CYS 87 0.390 -34.559 22.408 1.00 0.04 ATOM 1383 O CYS 87 -0.446 -34.212 21.575 1.00 3.31 ATOM 1384 N GLY 88 0.903 -35.785 22.451 1.00 60.03 ATOM 1385 HN GLY 88 1.579 -36.018 23.126 1.00 37.41 ATOM 1386 CA GLY 88 0.491 -36.795 21.493 1.00 4.22 ATOM 1387 HA1 GLY 88 1.245 -37.568 21.467 1.00 37.41 ATOM 1388 HA2 GLY 88 0.423 -36.353 20.511 1.00 44.42 ATOM 1389 C GLY 88 -0.836 -37.431 21.856 1.00 42.01 ATOM 1390 O GLY 88 -1.337 -38.291 21.133 1.00 34.31 ATOM 1391 N ALA 89 -1.405 -37.008 22.980 1.00 73.22 ATOM 1392 HN ALA 89 -0.973 -36.343 23.530 1.00 37.41 ATOM 1393 CA ALA 89 -2.682 -37.542 23.437 1.00 73.12 ATOM 1394 HA ALA 89 -2.778 -38.567 23.094 1.00 55.53 ATOM 1395 CB ALA 89 -2.732 -37.563 24.957 1.00 1.44 ATOM 1396 HB1 ALA 89 -2.286 -38.480 25.308 1.00 55.34 ATOM 1397 HB2 ALA 89 -3.758 -37.523 25.301 1.00 50.44 ATOM 1398 HB3 ALA 89 -2.192 -36.730 25.362 1.00 60.22 ATOM 1399 C ALA 89 -3.847 -36.732 22.879 1.00 74.15 ATOM 1400 O ALA 89 -4.677 -37.253 22.133 1.00 41.22 ATOM 1401 N SER 90 -3.904 -35.456 23.245 1.00 51.31 ATOM 1402 HN SER 90 -3.199 -35.088 23.830 1.00 37.41 ATOM 1403 CA SER 90 -4.971 -34.575 22.784 1.00 42.21 ATOM 1404 HA SER 90 -5.896 -35.139 22.754 1.00 32.42 ATOM 1405 CB SER 90 -5.148 -33.403 23.752 1.00 61.40 ATOM 1406 HB1 SER 90 -4.180 -33.076 24.107 1.00 37.41 ATOM 1407 HB2 SER 90 -5.750 -33.719 24.591 1.00 2.12 ATOM 1408 OG SER 90 -5.791 -32.311 23.118 1.00 5.24 ATOM 1409 HG SER 90 -6.044 -31.661 23.778 1.00 50.51 ATOM 1410 C SER 90 -4.675 -34.050 21.382 1.00 24.41 ATOM 1411 O SER 90 -5.468 -34.232 20.458 1.00 73.22 ATOM 1412 N LEU 91 -3.527 -33.399 21.232 1.00 42.25 ATOM 1413 HN LEU 91 -2.928 -33.295 22.010 1.00 37.41 ATOM 1414 CA LEU 91 -3.124 -32.847 19.943 1.00 43.13 ATOM 1415 HA LEU 91 -3.972 -32.323 19.516 1.00 32.43 ATOM 1416 CB LEU 91 -1.969 -31.861 20.127 1.00 64.24 ATOM 1417 HB1 LEU 91 -1.338 -31.902 19.248 1.00 37.41 ATOM 1418 HB2 LEU 91 -1.380 -32.191 20.969 1.00 24.45 ATOM 1419 CG LEU 91 -2.362 -30.402 20.361 1.00 30.45 ATOM 1420 HG LEU 91 -3.260 -30.363 20.964 1.00 3.32 ATOM 1421 CD1 LEU 91 -1.266 -29.669 21.119 1.00 30.21 ATOM 1422 HD11 LEU 91 -0.389 -29.571 20.502 1.00 71.34 ATOM 1423 HD12 LEU 91 -1.013 -30.215 22.018 1.00 12.10 ATOM 1424 HD13 LEU 91 -1.620 -28.685 21.391 1.00 2.43 ATOM 1425 CD2 LEU 91 -2.654 -29.709 19.039 1.00 70.14 ATOM 1426 HD21 LEU 91 -2.784 -28.646 19.194 1.00 62.35 ATOM 1427 HD22 LEU 91 -3.558 -30.120 18.614 1.00 72.34 ATOM 1428 HD23 LEU 91 -1.835 -29.879 18.361 1.00 51.40 ATOM 1429 C LEU 91 -2.712 -33.956 18.980 1.00 32.31 ATOM 1430 O LEU 91 -2.952 -33.867 17.776 1.00 61.31 ATOM 1431 N ARG 92 -2.093 -35.001 19.520 1.00 74.44 ATOM 1432 HN ARG 92 -1.905 -35.024 20.484 1.00 37.41 ATOM 1433 CA ARG 92 -1.650 -36.129 18.709 1.00 44.23 ATOM 1434 HA ARG 92 -1.158 -36.823 19.343 1.00 72.32 ATOM 1435 CB ARG 92 -2.848 -36.813 18.049 1.00 73.10 ATOM 1436 HB1 ARG 92 -3.084 -36.314 17.116 1.00 37.41 ATOM 1437 HB2 ARG 92 -3.698 -36.712 18.710 1.00 41.31 ATOM 1438 CG ARG 92 -2.622 -38.287 17.754 1.00 11.05 ATOM 1439 HG1 ARG 92 -2.033 -38.730 18.548 1.00 37.41 ATOM 1440 HG2 ARG 92 -2.092 -38.379 16.818 1.00 71.23 ATOM 1441 CD ARG 92 -3.938 -39.042 17.647 1.00 42.10 ATOM 1442 HD1 ARG 92 -3.725 -40.072 17.400 1.00 37.41 ATOM 1443 HD2 ARG 92 -4.532 -38.601 16.858 1.00 21.01 ATOM 1444 NE ARG 92 -4.695 -39.002 18.895 1.00 31.31 ATOM 1445 HE ARG 92 -4.284 -38.556 19.672 1.00 72.01 ATOM 1446 CZ ARG 92 -5.901 -39.539 19.040 1.00 35.20 ATOM 1447 NH1 ARG 92 -6.484 -40.154 18.020 1.00 52.31 ATOM 1448 HH11 ARG 92 -6.034 -40.226 17.131 1.00 25.14 ATOM 1449 HH12 ARG 92 -7.394 -40.557 18.138 1.00 31.21 ATOM 1450 NH2 ARG 92 -6.527 -39.462 20.208 1.00 73.34 ATOM 1451 HH21 ARG 92 -6.092 -38.999 20.983 1.00 50.00 ATOM 1452 HH22 ARG 92 -7.437 -39.866 20.320 1.00 60.44 ATOM 1453 C ARG 92 -0.659 -35.674 17.641 1.00 1.10 ATOM 1454 O ARG 92 -0.553 -36.285 16.577 1.00 41.34 ATOM 1455 N LEU 93 0.064 -34.598 17.932 1.00 30.22 ATOM 1456 HN LEU 93 -0.046 -34.169 18.804 1.00 37.41 ATOM 1457 CA LEU 93 1.046 -34.060 16.997 1.00 23.43 ATOM 1458 HA LEU 93 0.590 -34.003 16.016 1.00 72.32 ATOM 1459 CB LEU 93 1.466 -32.652 17.422 1.00 53.13 ATOM 1460 HB1 LEU 93 0.587 -32.029 17.318 1.00 37.41 ATOM 1461 HB2 LEU 93 2.207 -32.276 16.729 1.00 11.44 ATOM 1462 CG LEU 93 1.986 -32.509 18.853 1.00 55.14 ATOM 1463 HG LEU 93 1.583 -33.288 19.481 1.00 73.51 ATOM 1464 CD1 LEU 93 3.500 -32.646 18.887 1.00 73.34 ATOM 1465 HD11 LEU 93 3.749 -33.686 18.811 1.00 54.35 ATOM 1466 HD12 LEU 93 3.887 -32.262 19.824 1.00 4.45 ATOM 1467 HD13 LEU 93 3.950 -32.103 18.066 1.00 60.44 ATOM 1468 CD2 LEU 93 1.556 -31.175 19.445 1.00 13.13 ATOM 1469 HD21 LEU 93 1.815 -31.144 20.493 1.00 62.43 ATOM 1470 HD22 LEU 93 0.497 -31.053 19.335 1.00 62.25 ATOM 1471 HD23 LEU 93 2.060 -30.373 18.928 1.00 33.34 ATOM 1472 C LEU 93 2.272 -34.965 16.915 1.00 73.02 ATOM 1473 O LEU 93 2.327 -36.010 17.562 1.00 64.23 ATOM 1474 N GLU 94 3.252 -34.554 16.116 1.00 12.12 ATOM 1475 HN GLU 94 3.156 -33.701 15.641 1.00 37.41 ATOM 1476 CA GLU 94 4.477 -35.327 15.951 1.00 32.40 ATOM 1477 HA GLU 94 4.199 -36.353 15.737 1.00 63.31 ATOM 1478 CB GLU 94 5.290 -34.790 14.772 1.00 63.34 ATOM 1479 HB1 GLU 94 6.056 -35.508 14.522 1.00 37.41 ATOM 1480 HB2 GLU 94 5.761 -33.857 15.056 1.00 13.23 ATOM 1481 CG GLU 94 4.459 -34.530 13.527 1.00 15.50 ATOM 1482 HG1 GLU 94 5.130 -34.322 12.706 1.00 37.41 ATOM 1483 HG2 GLU 94 3.828 -33.672 13.694 1.00 2.30 ATOM 1484 CD GLU 94 3.590 -35.713 13.147 1.00 12.04 ATOM 1485 OE1 GLU 94 2.397 -35.500 12.845 1.00 50.43 ATOM 1486 OE2 GLU 94 4.102 -36.852 13.153 1.00 12.33 ATOM 1487 C GLU 94 5.319 -35.290 17.223 1.00 62.41 ATOM 1488 O GLU 94 5.647 -34.219 17.734 1.00 13.02 ATOM 1489 N THR 95 5.667 -36.469 17.730 1.00 60.21 ATOM 1490 HN THR 95 5.388 -37.299 17.278 1.00 37.41 ATOM 1491 CA THR 95 6.469 -36.573 18.942 1.00 22.12 ATOM 1492 HA THR 95 6.539 -35.599 19.414 1.00 40.24 ATOM 1493 CB THR 95 5.831 -37.540 19.957 1.00 31.30 ATOM 1494 HB THR 95 6.448 -37.607 20.833 1.00 13.33 ATOM 1495 OG1 THR 95 5.715 -38.847 19.383 1.00 42.24 ATOM 1496 HG1 THR 95 5.685 -39.507 20.081 1.00 11.34 ATOM 1497 CG2 THR 95 4.458 -37.046 20.386 1.00 53.11 ATOM 1498 HG21 THR 95 4.550 -36.073 20.847 1.00 72.05 ATOM 1499 HG22 THR 95 4.033 -37.740 21.096 1.00 34.04 ATOM 1500 HG23 THR 95 3.811 -36.976 19.523 1.00 35.21 ATOM 1501 C THR 95 7.884 -37.046 18.627 1.00 74.22 ATOM 1502 O THR 95 8.245 -37.223 17.463 1.00 33.21 ATOM 1503 N PHE 96 8.681 -37.250 19.670 1.00 32.12 ATOM 1504 HN PHE 96 8.363 -37.061 20.566 1.00 37.41 ATOM 1505 CA PHE 96 10.057 -37.703 19.504 1.00 50.11 ATOM 1506 HA PHE 96 10.138 -38.238 18.573 1.00 31.13 ATOM 1507 CB PHE 96 11.010 -36.507 19.479 1.00 44.54 ATOM 1508 HB1 PHE 96 10.726 -35.868 18.655 1.00 37.41 ATOM 1509 HB2 PHE 96 12.023 -36.850 19.316 1.00 70.35 ATOM 1510 CG PHE 96 10.971 -35.682 20.733 1.00 11.13 ATOM 1511 CD1 PHE 96 10.002 -34.706 20.907 1.00 63.42 ATOM 1512 HD1 PHE 96 9.267 -34.539 20.132 1.00 3.14 ATOM 1513 CD2 PHE 96 11.903 -35.882 21.739 1.00 13.21 ATOM 1514 HD2 PHE 96 12.664 -36.636 21.617 1.00 72.11 ATOM 1515 CE1 PHE 96 9.963 -33.946 22.060 1.00 12.04 ATOM 1516 HE1 PHE 96 9.203 -33.189 22.183 1.00 12.52 ATOM 1517 CE2 PHE 96 11.868 -35.125 22.895 1.00 51.11 ATOM 1518 HE2 PHE 96 12.600 -35.290 23.671 1.00 1.03 ATOM 1519 CZ PHE 96 10.898 -34.155 23.055 1.00 14.13 ATOM 1520 HZ PHE 96 10.870 -33.562 23.957 1.00 42.55 ATOM 1521 C PHE 96 10.454 -38.660 20.624 1.00 73.20 ATOM 1522 O PHE 96 9.662 -38.943 21.523 1.00 34.10 ATOM 1523 N ASP 97 11.685 -39.156 20.562 1.00 14.31 ATOM 1524 HN ASP 97 12.278 -38.900 19.818 1.00 37.41 ATOM 1525 CA ASP 97 12.188 -40.081 21.571 1.00 40.04 ATOM 1526 HA ASP 97 11.338 -40.603 22.005 1.00 65.24 ATOM 1527 CB ASP 97 13.115 -41.114 20.928 1.00 31.23 ATOM 1528 HB1 ASP 97 14.107 -40.704 20.824 1.00 37.41 ATOM 1529 HB2 ASP 97 12.737 -41.368 19.947 1.00 2.13 ATOM 1530 CG ASP 97 13.210 -42.391 21.740 1.00 12.12 ATOM 1531 OD1 ASP 97 12.934 -43.473 21.180 1.00 11.30 ATOM 1532 OD2 ASP 97 13.561 -42.309 22.936 1.00 53.43 ATOM 1533 C ASP 97 12.928 -39.332 22.674 1.00 2.23 ATOM 1534 O ASP 97 13.857 -38.571 22.406 1.00 4.00 ATOM 1535 N ALA 98 12.509 -39.552 23.916 1.00 53.00 ATOM 1536 HN ALA 98 11.755 -40.171 24.069 1.00 37.41 ATOM 1537 CA ALA 98 13.132 -38.899 25.060 1.00 2.41 ATOM 1538 HA ALA 98 12.923 -37.844 24.994 1.00 2.22 ATOM 1539 CB ALA 98 12.534 -39.422 26.357 1.00 20.24 ATOM 1540 HB1 ALA 98 12.967 -38.896 27.196 1.00 52.44 ATOM 1541 HB2 ALA 98 12.736 -40.480 26.451 1.00 3.14 ATOM 1542 HB3 ALA 98 11.466 -39.262 26.348 1.00 73.04 ATOM 1543 C ALA 98 14.643 -39.102 25.052 1.00 25.21 ATOM 1544 O ALA 98 15.395 -38.264 25.549 1.00 35.45 ATOM 1545 N ASN 99 15.082 -40.221 24.485 1.00 62.22 ATOM 1546 HN ASN 99 14.441 -40.885 24.145 1.00 37.41 ATOM 1547 CA ASN 99 16.505 -40.535 24.414 1.00 73.15 ATOM 1548 HA ASN 99 16.932 -40.411 25.403 1.00 13.43 ATOM 1549 CB ASN 99 16.707 -41.983 23.963 1.00 34.43 ATOM 1550 HB1 ASN 99 17.757 -42.152 23.757 1.00 37.41 ATOM 1551 HB2 ASN 99 16.141 -42.152 23.058 1.00 10.41 ATOM 1552 CG ASN 99 16.272 -42.983 25.018 1.00 52.32 ATOM 1553 OD1 ASN 99 16.873 -43.074 26.088 1.00 2.42 ATOM 1554 ND2 ASN 99 15.222 -43.739 24.719 1.00 51.20 ATOM 1555 HD21 ASN 99 14.778 -43.625 23.848 1.00 4.41 ATOM 1556 HD22 ASN 99 14.926 -44.391 25.388 1.00 40.20 ATOM 1557 C ASN 99 17.223 -39.588 23.457 1.00 24.50 ATOM 1558 O ASN 99 18.349 -39.163 23.718 1.00 52.33 ATOM 1559 N ASP 100 16.565 -39.263 22.350 1.00 64.11 ATOM 1560 HN ASP 100 15.671 -39.646 22.184 1.00 37.41 ATOM 1561 CA ASP 100 17.140 -38.365 21.355 1.00 62.43 ATOM 1562 HA ASP 100 18.088 -38.779 21.033 1.00 25.22 ATOM 1563 CB ASP 100 16.212 -38.250 20.145 1.00 41.44 ATOM 1564 HB1 ASP 100 16.598 -37.507 19.466 1.00 37.41 ATOM 1565 HB2 ASP 100 15.233 -37.946 20.478 1.00 23.01 ATOM 1566 CG ASP 100 16.075 -39.559 19.393 1.00 40.13 ATOM 1567 OD1 ASP 100 16.922 -40.453 19.599 1.00 1.34 ATOM 1568 OD2 ASP 100 15.121 -39.690 18.597 1.00 42.41 ATOM 1569 C ASP 100 17.394 -36.984 21.951 1.00 71.32 ATOM 1570 O ASP 100 18.338 -36.294 21.565 1.00 51.42 ATOM 1571 N LEU 101 16.545 -36.587 22.892 1.00 21.03 ATOM 1572 HN LEU 101 15.802 -37.175 23.163 1.00 37.41 ATOM 1573 CA LEU 101 16.676 -35.287 23.542 1.00 62.34 ATOM 1574 HA LEU 101 17.051 -34.575 22.817 1.00 33.23 ATOM 1575 CB LEU 101 15.313 -34.803 24.037 1.00 15.21 ATOM 1576 HB1 LEU 101 14.837 -35.634 24.544 1.00 37.41 ATOM 1577 HB2 LEU 101 14.713 -34.550 23.184 1.00 51.14 ATOM 1578 CG LEU 101 15.331 -33.615 25.000 1.00 44.24 ATOM 1579 HG LEU 101 15.919 -33.860 25.872 1.00 14.34 ATOM 1580 CD1 LEU 101 15.962 -32.400 24.336 1.00 30.32 ATOM 1581 HD11 LEU 101 15.299 -31.999 23.595 1.00 54.00 ATOM 1582 HD12 LEU 101 16.900 -32.666 23.872 1.00 2.22 ATOM 1583 HD13 LEU 101 16.151 -31.655 25.085 1.00 62.05 ATOM 1584 CD2 LEU 101 13.923 -33.293 25.477 1.00 11.21 ATOM 1585 HD21 LEU 101 13.922 -32.397 26.063 1.00 2.53 ATOM 1586 HD22 LEU 101 13.548 -34.106 26.066 1.00 71.15 ATOM 1587 HD23 LEU 101 13.276 -33.151 24.620 1.00 15.51 ATOM 1588 C LEU 101 17.658 -35.357 24.707 1.00 71.40 ATOM 1589 O LEU 101 18.561 -34.529 24.822 1.00 43.34 ATOM 1590 N TYR 102 17.476 -36.352 25.568 1.00 72.41 ATOM 1591 HN TYR 102 16.733 -36.985 25.424 1.00 37.41 ATOM 1592 CA TYR 102 18.345 -36.531 26.725 1.00 42.13 ATOM 1593 HA TYR 102 18.302 -35.619 27.298 1.00 34.33 ATOM 1594 CB TYR 102 17.862 -37.706 27.576 1.00 72.43 ATOM 1595 HB1 TYR 102 18.138 -38.640 27.099 1.00 37.41 ATOM 1596 HB2 TYR 102 16.785 -37.655 27.644 1.00 32.52 ATOM 1597 CG TYR 102 18.406 -37.697 28.986 1.00 12.35 ATOM 1598 CD1 TYR 102 18.393 -36.535 29.749 1.00 24.41 ATOM 1599 HD1 TYR 102 17.986 -35.627 29.330 1.00 52.41 ATOM 1600 CD2 TYR 102 18.931 -38.850 29.557 1.00 3.51 ATOM 1601 HD2 TYR 102 18.959 -39.762 28.980 1.00 45.40 ATOM 1602 CE1 TYR 102 18.890 -36.522 31.038 1.00 61.00 ATOM 1603 HE1 TYR 102 18.865 -35.615 31.619 1.00 62.12 ATOM 1604 CE2 TYR 102 19.429 -38.846 30.846 1.00 52.21 ATOM 1605 HE2 TYR 102 19.838 -39.741 31.258 1.00 15.24 ATOM 1606 CZ TYR 102 19.406 -37.680 31.582 1.00 5.51 ATOM 1607 OH TYR 102 19.901 -37.671 32.866 1.00 11.42 ATOM 1608 HH TYR 102 20.862 -37.715 32.846 1.00 34.35 ATOM 1609 C TYR 102 19.789 -36.763 26.290 1.00 2.24 ATOM 1610 O TYR 102 20.703 -36.077 26.747 1.00 41.53 ATOM 1611 N GLN 103 19.985 -37.735 25.405 1.00 1.42 ATOM 1612 HN GLN 103 19.210 -38.244 25.067 1.00 37.41 ATOM 1613 CA GLN 103 21.317 -38.058 24.909 1.00 45.34 ATOM 1614 HA GLN 103 22.010 -38.034 25.743 1.00 32.43 ATOM 1615 CB GLN 103 21.332 -39.462 24.303 1.00 62.22 ATOM 1616 HB1 GLN 103 22.311 -39.658 23.884 1.00 37.41 ATOM 1617 HB2 GLN 103 20.610 -39.501 23.510 1.00 52.22 ATOM 1618 CG GLN 103 20.992 -40.558 25.300 1.00 64.42 ATOM 1619 HG1 GLN 103 20.482 -41.349 24.769 1.00 37.41 ATOM 1620 HG2 GLN 103 20.332 -40.168 26.064 1.00 74.55 ATOM 1621 CD GLN 103 22.223 -41.149 25.959 1.00 31.33 ATOM 1622 OE1 GLN 103 23.240 -41.383 25.306 1.00 41.32 ATOM 1623 NE2 GLN 103 22.137 -41.395 27.261 1.00 13.25 ATOM 1624 HE21 GLN 103 21.299 -41.190 27.735 1.00 41.42 ATOM 1625 HE22 GLN 103 22.923 -41.777 27.705 1.00 73.41 ATOM 1626 C GLN 103 21.773 -37.038 23.870 1.00 62.32 ATOM 1627 O GLN 103 22.963 -36.923 23.579 1.00 60.11 ATOM 1628 N GLY 104 20.818 -36.300 23.313 1.00 73.10 ATOM 1629 HN GLY 104 19.879 -36.438 23.545 1.00 37.41 ATOM 1630 CA GLY 104 21.141 -35.300 22.312 1.00 21.21 ATOM 1631 HA1 GLY 104 21.938 -34.666 22.678 1.00 37.41 ATOM 1632 HA2 GLY 104 20.266 -34.690 22.139 1.00 4.53 ATOM 1633 C GLY 104 21.569 -35.916 20.995 1.00 50.23 ATOM 1634 O GLY 104 22.540 -35.472 20.382 1.00 33.20 ATOM 1635 N GLN 105 20.844 -36.941 20.559 1.00 20.23 ATOM 1636 HN GLN 105 20.060 -37.240 21.079 1.00 37.41 ATOM 1637 CA GLN 105 21.156 -37.620 19.307 1.00 3.11 ATOM 1638 HA GLN 105 22.225 -37.565 19.137 1.00 43.32 ATOM 1639 CB GLN 105 20.758 -39.094 19.389 1.00 72.55 ATOM 1640 HB1 GLN 105 21.185 -39.609 18.539 1.00 37.41 ATOM 1641 HB2 GLN 105 19.678 -39.176 19.345 1.00 53.40 ATOM 1642 CG GLN 105 21.225 -39.781 20.662 1.00 75.42 ATOM 1643 HG1 GLN 105 20.568 -39.489 21.462 1.00 37.41 ATOM 1644 HG2 GLN 105 22.235 -39.467 20.892 1.00 3.23 ATOM 1645 CD GLN 105 21.206 -41.293 20.550 1.00 74.11 ATOM 1646 OE1 GLN 105 20.294 -41.953 21.050 1.00 52.24 ATOM 1647 NE2 GLN 105 22.215 -41.851 19.891 1.00 11.15 ATOM 1648 HE21 GLN 105 22.917 -41.275 19.512 1.00 14.20 ATOM 1649 HE22 GLN 105 22.220 -42.827 19.808 1.00 63.03 ATOM 1650 C GLN 105 20.445 -36.953 18.134 1.00 3.24 ATOM 1651 O GLN 105 21.070 -36.605 17.134 1.00 45.14 ATOM 1652 N ASN 106 19.134 -36.778 18.266 1.00 43.14 ATOM 1653 HN ASN 106 18.682 -37.075 19.087 1.00 37.41 ATOM 1654 CA ASN 106 18.338 -36.153 17.216 1.00 73.12 ATOM 1655 HA ASN 106 18.993 -35.822 16.417 1.00 24.34 ATOM 1656 CB ASN 106 17.346 -37.161 16.631 1.00 65.13 ATOM 1657 HB1 ASN 106 16.835 -36.702 15.798 1.00 37.41 ATOM 1658 HB2 ASN 106 16.625 -37.447 17.378 1.00 43.12 ATOM 1659 CG ASN 106 18.030 -38.414 16.120 1.00 63.54 ATOM 1660 OD1 ASN 106 19.257 -38.518 16.140 1.00 51.02 ATOM 1661 ND2 ASN 106 17.237 -39.374 15.658 1.00 64.34 ATOM 1662 HD21 ASN 106 16.270 -39.240 15.662 1.00 22.51 ATOM 1663 HD22 ASN 106 17.661 -40.193 15.326 1.00 41.33 ATOM 1664 C ASN 106 17.587 -34.938 17.753 1.00 63.04 ATOM 1665 O ASN 106 16.494 -35.064 18.305 1.00 23.11 ATOM 1666 N PHE 107 18.182 -33.761 17.586 1.00 74.23 ATOM 1667 HN PHE 107 19.054 -33.722 17.125 1.00 37.41 ATOM 1668 CA PHE 107 17.570 -32.523 18.053 1.00 1.35 ATOM 1669 HA PHE 107 17.155 -32.703 19.037 1.00 53.12 ATOM 1670 CB PHE 107 18.622 -31.416 18.154 1.00 31.12 ATOM 1671 HB1 PHE 107 19.016 -31.209 17.166 1.00 37.41 ATOM 1672 HB2 PHE 107 19.427 -31.762 18.787 1.00 41.33 ATOM 1673 CG PHE 107 18.094 -30.140 18.745 1.00 45.34 ATOM 1674 CD1 PHE 107 17.422 -30.147 19.956 1.00 23.11 ATOM 1675 HD1 PHE 107 17.278 -31.080 20.483 1.00 23.52 ATOM 1676 CD2 PHE 107 18.270 -28.932 18.088 1.00 64.43 ATOM 1677 HD2 PHE 107 18.793 -28.909 17.142 1.00 25.43 ATOM 1678 CE1 PHE 107 16.936 -28.974 20.502 1.00 31.34 ATOM 1679 HE1 PHE 107 16.413 -28.993 21.447 1.00 2.42 ATOM 1680 CE2 PHE 107 17.787 -27.757 18.629 1.00 13.53 ATOM 1681 HE2 PHE 107 17.925 -26.828 18.103 1.00 32.13 ATOM 1682 CZ PHE 107 17.118 -27.778 19.837 1.00 14.45 ATOM 1683 HZ PHE 107 16.732 -26.868 20.245 1.00 61.13 ATOM 1684 C PHE 107 16.444 -32.086 17.121 1.00 31.21 ATOM 1685 O PHE 107 15.479 -31.455 17.549 1.00 33.25 ATOM 1686 N ASN 108 16.576 -32.427 15.843 1.00 21.12 ATOM 1687 HN ASN 108 17.381 -32.911 15.546 1.00 37.41 ATOM 1688 CA ASN 108 15.571 -32.070 14.849 1.00 53.20 ATOM 1689 HA ASN 108 15.581 -30.996 14.736 1.00 72.14 ATOM 1690 CB ASN 108 15.905 -32.713 13.502 1.00 74.34 ATOM 1691 HB1 ASN 108 16.916 -32.448 13.226 1.00 37.41 ATOM 1692 HB2 ASN 108 15.224 -32.333 12.753 1.00 24.35 ATOM 1693 CG ASN 108 15.781 -34.224 13.536 1.00 21.31 ATOM 1694 OD1 ASN 108 14.677 -34.768 13.530 1.00 72.33 ATOM 1695 ND2 ASN 108 16.918 -34.910 13.573 1.00 12.03 ATOM 1696 HD21 ASN 108 17.773 -34.424 13.577 1.00 13.23 ATOM 1697 HD22 ASN 108 16.859 -35.888 13.595 1.00 21.45 ATOM 1698 C ASN 108 14.180 -32.504 15.302 1.00 52.44 ATOM 1699 O ASN 108 13.189 -31.819 15.045 1.00 43.02 ATOM 1700 N LYS 109 14.113 -33.646 15.977 1.00 0.34 ATOM 1701 HN LYS 109 14.940 -34.139 16.167 1.00 37.41 ATOM 1702 CA LYS 109 12.845 -34.172 16.468 1.00 11.35 ATOM 1703 HA LYS 109 12.154 -34.223 15.637 1.00 53.23 ATOM 1704 CB LYS 109 13.038 -35.581 17.032 1.00 31.31 ATOM 1705 HB1 LYS 109 12.070 -36.025 17.129 1.00 37.41 ATOM 1706 HB2 LYS 109 13.505 -35.523 18.008 1.00 33.23 ATOM 1707 CG LYS 109 13.894 -36.476 16.153 1.00 42.02 ATOM 1708 HG1 LYS 109 14.918 -36.247 16.348 1.00 37.41 ATOM 1709 HG2 LYS 109 13.676 -36.279 15.112 1.00 64.14 ATOM 1710 CD LYS 109 13.654 -37.946 16.452 1.00 70.34 ATOM 1711 HD1 LYS 109 13.336 -38.070 17.480 1.00 37.41 ATOM 1712 HD2 LYS 109 14.571 -38.480 16.303 1.00 41.14 ATOM 1713 CE LYS 109 12.594 -38.536 15.534 1.00 40.34 ATOM 1714 HE1 LYS 109 12.590 -39.609 15.660 1.00 37.41 ATOM 1715 HE2 LYS 109 12.836 -38.299 14.507 1.00 33.43 ATOM 1716 NZ LYS 109 11.236 -38.012 15.847 1.00 53.34 ATOM 1717 HZ1 LYS 109 11.133 -37.046 15.477 1.00 12.15 ATOM 1718 HZ2 LYS 109 11.076 -37.998 16.869 1.00 22.45 ATOM 1719 HZ3 LYS 109 10.513 -38.615 15.406 1.00 30.40 ATOM 1720 C LYS 109 12.256 -33.260 17.541 1.00 65.23 ATOM 1721 O LYS 109 11.075 -32.918 17.499 1.00 74.41 ATOM 1722 N VAL 110 13.089 -32.869 18.500 1.00 10.52 ATOM 1723 HN VAL 110 14.031 -33.142 18.446 1.00 37.41 ATOM 1724 CA VAL 110 12.652 -31.994 19.582 1.00 34.30 ATOM 1725 HA VAL 110 11.817 -32.473 20.082 1.00 33.14 ATOM 1726 CB VAL 110 13.774 -31.774 20.614 1.00 53.32 ATOM 1727 HB VAL 110 14.552 -31.171 20.161 1.00 32.45 ATOM 1728 CG1 VAL 110 13.243 -31.028 21.829 1.00 42.45 ATOM 1729 HG11 VAL 110 14.049 -30.844 22.519 1.00 65.42 ATOM 1730 HG12 VAL 110 12.482 -31.620 22.317 1.00 25.13 ATOM 1731 HG13 VAL 110 12.820 -30.080 21.529 1.00 45.35 ATOM 1732 CG2 VAL 110 14.391 -33.103 21.022 1.00 53.02 ATOM 1733 HG21 VAL 110 15.153 -32.935 21.762 1.00 75.25 ATOM 1734 HG22 VAL 110 14.843 -33.581 20.170 1.00 25.12 ATOM 1735 HG23 VAL 110 13.633 -33.744 21.431 1.00 1.33 ATOM 1736 C VAL 110 12.196 -30.642 19.046 1.00 42.13 ATOM 1737 O VAL 110 11.076 -30.202 19.309 1.00 21.31 ATOM 1738 N LEU 111 13.071 -29.986 18.291 1.00 1.14 ATOM 1739 HN LEU 111 13.954 -30.392 18.119 1.00 37.41 ATOM 1740 CA LEU 111 12.759 -28.682 17.716 1.00 22.11 ATOM 1741 HA LEU 111 12.670 -27.978 18.532 1.00 41.31 ATOM 1742 CB LEU 111 13.881 -28.236 16.777 1.00 41.50 ATOM 1743 HB1 LEU 111 13.633 -28.552 15.769 1.00 37.41 ATOM 1744 HB2 LEU 111 14.794 -28.747 17.063 1.00 75.31 ATOM 1745 CG LEU 111 14.176 -26.735 16.749 1.00 31.42 ATOM 1746 HG LEU 111 13.249 -26.194 16.618 1.00 3.04 ATOM 1747 CD1 LEU 111 14.798 -26.289 18.063 1.00 21.22 ATOM 1748 HD11 LEU 111 15.851 -26.113 17.941 1.00 34.24 ATOM 1749 HD12 LEU 111 14.652 -27.037 18.832 1.00 24.33 ATOM 1750 HD13 LEU 111 14.324 -25.374 18.378 1.00 14.34 ATOM 1751 CD2 LEU 111 15.089 -26.393 15.581 1.00 0.11 ATOM 1752 HD21 LEU 111 14.619 -26.691 14.654 1.00 43.35 ATOM 1753 HD22 LEU 111 16.031 -26.913 15.688 1.00 72.13 ATOM 1754 HD23 LEU 111 15.269 -25.327 15.561 1.00 21.35 ATOM 1755 C LEU 111 11.434 -28.723 16.961 1.00 5.21 ATOM 1756 O LEU 111 10.558 -27.887 17.181 1.00 74.25 ATOM 1757 N SER 112 11.296 -29.701 16.072 1.00 34.44 ATOM 1758 HN SER 112 12.036 -30.341 15.940 1.00 37.41 ATOM 1759 CA SER 112 10.078 -29.850 15.284 1.00 62.44 ATOM 1760 HA SER 112 9.949 -28.954 14.693 1.00 31.22 ATOM 1761 CB SER 112 10.200 -31.050 14.341 1.00 15.43 ATOM 1762 HB1 SER 112 11.208 -31.126 13.968 1.00 37.41 ATOM 1763 HB2 SER 112 9.526 -30.910 13.508 1.00 41.40 ATOM 1764 OG SER 112 9.851 -32.254 15.001 1.00 32.12 ATOM 1765 HG SER 112 10.629 -32.635 15.411 1.00 53.31 ATOM 1766 C SER 112 8.862 -30.021 16.189 1.00 70.54 ATOM 1767 O SER 112 7.762 -29.579 15.859 1.00 52.23 ATOM 1768 N SER 113 9.069 -30.667 17.332 1.00 61.11 ATOM 1769 HN SER 113 9.963 -31.018 17.538 1.00 37.41 ATOM 1770 CA SER 113 7.990 -30.901 18.284 1.00 13.11 ATOM 1771 HA SER 113 7.142 -31.305 17.746 1.00 13.11 ATOM 1772 CB SER 113 8.426 -31.916 19.342 1.00 33.13 ATOM 1773 HB1 SER 113 9.286 -31.546 19.872 1.00 37.41 ATOM 1774 HB2 SER 113 8.678 -32.847 18.858 1.00 3.31 ATOM 1775 OG SER 113 7.387 -32.158 20.276 1.00 42.52 ATOM 1776 HG SER 113 7.412 -31.493 20.969 1.00 31.11 ATOM 1777 C SER 113 7.567 -29.598 18.956 1.00 32.34 ATOM 1778 O SER 113 6.377 -29.292 19.051 1.00 24.43 ATOM 1779 N LEU 114 8.549 -28.834 19.422 1.00 72.40 ATOM 1780 HN LEU 114 9.484 -29.129 19.310 1.00 37.41 ATOM 1781 CA LEU 114 8.280 -27.564 20.086 1.00 4.42 ATOM 1782 HA LEU 114 7.562 -27.737 20.876 1.00 3.11 ATOM 1783 CB LEU 114 9.566 -27.003 20.696 1.00 44.43 ATOM 1784 HB1 LEU 114 9.311 -26.102 21.241 1.00 37.41 ATOM 1785 HB2 LEU 114 10.237 -26.735 19.888 1.00 41.13 ATOM 1786 CG LEU 114 10.322 -27.935 21.643 1.00 3.32 ATOM 1787 HG LEU 114 10.704 -28.771 21.090 1.00 44.43 ATOM 1788 CD1 LEU 114 11.506 -27.214 22.269 1.00 65.12 ATOM 1789 HD11 LEU 114 11.950 -27.844 23.016 1.00 43.34 ATOM 1790 HD12 LEU 114 11.176 -26.296 22.732 1.00 53.10 ATOM 1791 HD13 LEU 114 12.236 -26.998 21.506 1.00 71.44 ATOM 1792 CD2 LEU 114 9.391 -28.469 22.721 1.00 32.33 ATOM 1793 HD21 LEU 114 8.620 -29.077 22.271 1.00 62.24 ATOM 1794 HD22 LEU 114 8.936 -27.645 23.253 1.00 5.51 ATOM 1795 HD23 LEU 114 9.954 -29.075 23.419 1.00 40.34 ATOM 1796 C LEU 114 7.684 -26.554 19.110 1.00 23.32 ATOM 1797 O LEU 114 6.761 -25.815 19.452 1.00 60.01 ATOM 1798 N VAL 115 8.217 -26.530 17.893 1.00 61.34 ATOM 1799 HN VAL 115 8.950 -27.150 17.673 1.00 37.41 ATOM 1800 CA VAL 115 7.736 -25.614 16.865 1.00 32.44 ATOM 1801 HA VAL 115 7.755 -24.608 17.270 1.00 3.15 ATOM 1802 CB VAL 115 8.636 -25.649 15.616 1.00 72.20 ATOM 1803 HB VAL 115 8.633 -26.655 15.218 1.00 54.02 ATOM 1804 CG1 VAL 115 8.099 -24.712 14.545 1.00 44.30 ATOM 1805 HG11 VAL 115 8.816 -24.634 13.737 1.00 43.32 ATOM 1806 HG12 VAL 115 7.931 -23.730 14.965 1.00 64.32 ATOM 1807 HG13 VAL 115 7.171 -25.097 14.150 1.00 44.12 ATOM 1808 CG2 VAL 115 10.068 -25.290 15.982 1.00 62.44 ATOM 1809 HG21 VAL 115 10.324 -25.648 16.963 1.00 13.10 ATOM 1810 HG22 VAL 115 10.195 -24.215 15.966 1.00 51.31 ATOM 1811 HG23 VAL 115 10.737 -25.734 15.259 1.00 5.34 ATOM 1812 C VAL 115 6.305 -25.949 16.457 1.00 4.24 ATOM 1813 O VAL 115 5.490 -25.057 16.221 1.00 11.44 ATOM 1814 N THR 116 6.006 -27.242 16.376 1.00 13.53 ATOM 1815 HN THR 116 6.698 -27.917 16.570 1.00 37.41 ATOM 1816 CA THR 116 4.674 -27.695 15.996 1.00 12.12 ATOM 1817 HA THR 116 4.352 -27.126 15.131 1.00 12.23 ATOM 1818 CB THR 116 4.677 -29.186 15.611 1.00 72.31 ATOM 1819 HB THR 116 5.033 -29.762 16.455 1.00 1.11 ATOM 1820 OG1 THR 116 5.551 -29.403 14.498 1.00 42.02 ATOM 1821 HG1 THR 116 5.856 -30.314 14.499 1.00 72.35 ATOM 1822 CG2 THR 116 3.274 -29.657 15.259 1.00 33.22 ATOM 1823 HG21 THR 116 2.679 -29.746 16.156 1.00 2.24 ATOM 1824 HG22 THR 116 3.336 -30.622 14.779 1.00 31.04 ATOM 1825 HG23 THR 116 2.806 -28.955 14.582 1.00 64.22 ATOM 1826 C THR 116 3.675 -27.476 17.127 1.00 40.12 ATOM 1827 O THR 116 2.555 -27.016 16.899 1.00 30.52 ATOM 1828 N LEU 117 4.087 -27.806 18.346 1.00 73.32 ATOM 1829 HN LEU 117 4.991 -28.182 18.467 1.00 37.41 ATOM 1830 CA LEU 117 3.227 -27.645 19.514 1.00 44.45 ATOM 1831 HA LEU 117 2.391 -28.310 19.408 1.00 31.45 ATOM 1832 CB LEU 117 3.989 -28.017 20.787 1.00 74.41 ATOM 1833 HB1 LEU 117 4.972 -27.566 20.728 1.00 37.41 ATOM 1834 HB2 LEU 117 4.111 -29.092 20.801 1.00 21.22 ATOM 1835 CG LEU 117 3.345 -27.585 22.105 1.00 51.43 ATOM 1836 HG LEU 117 3.203 -26.517 22.112 1.00 51.32 ATOM 1837 CD1 LEU 117 1.976 -28.228 22.267 1.00 45.12 ATOM 1838 HD11 LEU 117 1.954 -29.193 21.782 1.00 21.33 ATOM 1839 HD12 LEU 117 1.231 -27.596 21.817 1.00 23.01 ATOM 1840 HD13 LEU 117 1.738 -28.351 23.317 1.00 63.13 ATOM 1841 CD2 LEU 117 4.245 -27.938 23.279 1.00 22.45 ATOM 1842 HD21 LEU 117 5.258 -27.619 23.079 1.00 14.31 ATOM 1843 HD22 LEU 117 4.228 -28.996 23.434 1.00 23.33 ATOM 1844 HD23 LEU 117 3.884 -27.442 24.168 1.00 14.32 ATOM 1845 C LEU 117 2.712 -26.213 19.616 1.00 11.23 ATOM 1846 O LEU 117 1.619 -25.971 20.128 1.00 64.23 ATOM 1847 N ASN 118 3.506 -25.267 19.125 1.00 54.24 ATOM 1848 HN ASN 118 4.388 -25.505 18.758 1.00 37.41 ATOM 1849 CA ASN 118 3.129 -23.858 19.160 1.00 74.44 ATOM 1850 HA ASN 118 2.654 -23.652 20.112 1.00 11.23 ATOM 1851 CB ASN 118 4.370 -22.973 19.034 1.00 24.40 ATOM 1852 HB1 ASN 118 4.987 -23.351 18.231 1.00 37.41 ATOM 1853 HB2 ASN 118 4.932 -23.006 19.945 1.00 22.21 ATOM 1854 CG ASN 118 4.023 -21.532 18.717 1.00 1.41 ATOM 1855 OD1 ASN 118 3.903 -21.152 17.552 1.00 2.01 ATOM 1856 ND2 ASN 118 3.860 -20.720 19.756 1.00 70.42 ATOM 1857 HD21 ASN 118 3.951 -21.077 20.639 1.00 62.21 ATOM 1858 HD22 ASN 118 3.651 -19.780 19.574 1.00 63.24 ATOM 1859 C ASN 118 2.142 -23.531 18.043 1.00 62.45 ATOM 1860 O ASN 118 1.135 -22.859 18.265 1.00 31.53 ATOM 1861 N LYS 119 2.439 -24.012 16.840 1.00 53.44 ATOM 1862 HN LYS 119 3.264 -24.540 16.719 1.00 37.41 ATOM 1863 CA LYS 119 1.578 -23.773 15.687 1.00 64.22 ATOM 1864 HA LYS 119 1.424 -22.704 15.594 1.00 31.35 ATOM 1865 CB LYS 119 2.243 -24.297 14.412 1.00 71.04 ATOM 1866 HB1 LYS 119 1.494 -24.411 13.637 1.00 37.41 ATOM 1867 HB2 LYS 119 2.670 -25.269 14.624 1.00 64.52 ATOM 1868 CG LYS 119 3.328 -23.382 13.871 1.00 11.20 ATOM 1869 HG1 LYS 119 3.784 -22.836 14.688 1.00 37.41 ATOM 1870 HG2 LYS 119 2.883 -22.682 13.179 1.00 24.31 ATOM 1871 CD LYS 119 4.413 -24.167 13.152 1.00 15.44 ATOM 1872 HD1 LYS 119 4.854 -24.875 13.839 1.00 37.41 ATOM 1873 HD2 LYS 119 5.170 -23.478 12.808 1.00 30.44 ATOM 1874 CE LYS 119 3.854 -24.921 11.956 1.00 63.52 ATOM 1875 HE1 LYS 119 3.136 -24.296 11.438 1.00 37.41 ATOM 1876 HE2 LYS 119 3.362 -25.815 12.309 1.00 25.42 ATOM 1877 NZ LYS 119 4.925 -25.308 10.995 1.00 33.24 ATOM 1878 HZ1 LYS 119 5.587 -25.973 11.444 1.00 54.14 ATOM 1879 HZ2 LYS 119 5.455 -24.468 10.682 1.00 23.22 ATOM 1880 HZ3 LYS 119 4.505 -25.767 10.161 1.00 13.24 ATOM 1881 C LYS 119 0.219 -24.439 15.875 1.00 63.50 ATOM 1882 O LYS 119 -0.822 -23.791 15.767 1.00 5.12 ATOM 1883 N VAL 120 0.236 -25.738 16.158 1.00 20.22 ATOM 1884 HN VAL 120 1.102 -26.199 16.222 1.00 37.41 ATOM 1885 CA VAL 120 -0.995 -26.492 16.364 1.00 11.42 ATOM 1886 HA VAL 120 -1.522 -26.539 15.420 1.00 42.35 ATOM 1887 CB VAL 120 -0.702 -27.929 16.834 1.00 4.21 ATOM 1888 HB VAL 120 -1.638 -28.425 16.994 1.00 72.23 ATOM 1889 CG1 VAL 120 0.049 -28.699 15.759 1.00 23.50 ATOM 1890 HG11 VAL 120 0.967 -28.194 15.516 1.00 75.22 ATOM 1891 HG12 VAL 120 -0.565 -28.766 14.872 1.00 62.25 ATOM 1892 HG13 VAL 120 0.271 -29.697 16.113 1.00 33.22 ATOM 1893 CG2 VAL 120 0.083 -27.913 18.137 1.00 5.10 ATOM 1894 HG21 VAL 120 0.616 -28.846 18.264 1.00 33.33 ATOM 1895 HG22 VAL 120 -0.608 -27.795 18.958 1.00 24.41 ATOM 1896 HG23 VAL 120 0.771 -27.103 18.152 1.00 71.23 ATOM 1897 C VAL 120 -1.893 -25.807 17.388 1.00 35.22 ATOM 1898 O VAL 120 -3.119 -25.900 17.316 1.00 14.04 ATOM 1899 N THR 121 -1.276 -25.118 18.343 1.00 63.23 ATOM 1900 HN THR 121 -0.293 -25.100 18.384 1.00 37.41 ATOM 1901 CA THR 121 -2.019 -24.418 19.383 1.00 43.13 ATOM 1902 HA THR 121 -2.936 -24.957 19.579 1.00 1.12 ATOM 1903 CB THR 121 -1.215 -24.345 20.695 1.00 51.32 ATOM 1904 HB THR 121 -1.707 -23.661 21.378 1.00 41.22 ATOM 1905 OG1 THR 121 0.109 -23.868 20.432 1.00 24.11 ATOM 1906 HG1 THR 121 0.097 -22.911 20.355 1.00 14.41 ATOM 1907 CG2 THR 121 -1.145 -25.709 21.363 1.00 32.34 ATOM 1908 HG21 THR 121 -1.386 -26.492 20.654 1.00 72.04 ATOM 1909 HG22 THR 121 -1.851 -25.742 22.178 1.00 2.43 ATOM 1910 HG23 THR 121 -0.159 -25.880 21.746 1.00 44.42 ATOM 1911 C THR 121 -2.381 -23.004 18.942 1.00 31.24 ATOM 1912 O THR 121 -3.368 -22.433 19.406 1.00 25.24 ATOM 1913 N ALA 122 -1.577 -22.445 18.044 1.00 54.02 ATOM 1914 HN ALA 122 -0.779 -22.922 17.744 1.00 37.41 ATOM 1915 CA ALA 122 -1.816 -21.099 17.539 1.00 44.41 ATOM 1916 HA ALA 122 -1.859 -20.422 18.383 1.00 51.41 ATOM 1917 CB ALA 122 -0.665 -20.659 16.646 1.00 51.43 ATOM 1918 HB1 ALA 122 -0.822 -19.638 16.326 1.00 14.30 ATOM 1919 HB2 ALA 122 -0.608 -21.304 15.780 1.00 31.12 ATOM 1920 HB3 ALA 122 0.260 -20.722 17.199 1.00 54.42 ATOM 1921 C ALA 122 -3.136 -21.023 16.780 1.00 50.51 ATOM 1922 O ALA 122 -3.891 -20.061 16.923 1.00 0.35 ATOM 1923 N ASP 123 -3.408 -22.041 15.972 1.00 31.30 ATOM 1924 HN ASP 123 -2.760 -22.780 15.886 1.00 37.41 ATOM 1925 CA ASP 123 -4.638 -22.090 15.190 1.00 11.12 ATOM 1926 HA ASP 123 -4.667 -21.205 14.565 1.00 12.13 ATOM 1927 CB ASP 123 -4.654 -23.334 14.301 1.00 65.03 ATOM 1928 HB1 ASP 123 -4.896 -24.208 14.893 1.00 37.41 ATOM 1929 HB2 ASP 123 -3.673 -23.467 13.867 1.00 65.20 ATOM 1930 CG ASP 123 -5.654 -23.223 13.167 1.00 45.43 ATOM 1931 OD1 ASP 123 -6.544 -24.093 13.074 1.00 62.23 ATOM 1932 OD2 ASP 123 -5.545 -22.265 12.372 1.00 74.43 ATOM 1933 C ASP 123 -5.862 -22.086 16.101 1.00 4.34 ATOM 1934 O ASP 123 -6.943 -21.652 15.703 1.00 70.24 ATOM 1935 N ILE 124 -5.683 -22.572 17.325 1.00 13.41 ATOM 1936 HN ILE 124 -4.804 -22.915 17.590 1.00 37.41 ATOM 1937 CA ILE 124 -6.773 -22.624 18.292 1.00 4.52 ATOM 1938 HA ILE 124 -7.607 -23.145 17.834 1.00 72.22 ATOM 1939 CB ILE 124 -6.362 -23.393 19.562 1.00 51.52 ATOM 1940 HB ILE 124 -5.560 -22.861 20.043 1.00 21.31 ATOM 1941 CG1 ILE 124 -5.884 -24.800 19.200 1.00 73.23 ATOM 1942 HG11 ILE 124 -5.057 -24.739 18.510 1.00 37.41 ATOM 1943 HG12 ILE 124 -6.692 -25.345 18.734 1.00 45.44 ATOM 1944 CG2 ILE 124 -7.525 -23.457 20.541 1.00 62.41 ATOM 1945 HG21 ILE 124 -7.248 -24.034 21.411 1.00 41.40 ATOM 1946 HG22 ILE 124 -8.377 -23.920 20.066 1.00 3.14 ATOM 1947 HG23 ILE 124 -7.793 -22.464 20.864 1.00 52.34 ATOM 1948 CD1 ILE 124 -5.416 -25.605 20.392 1.00 11.21 ATOM 1949 HD11 ILE 124 -6.266 -25.891 20.993 1.00 30.34 ATOM 1950 HD12 ILE 124 -4.733 -25.015 20.989 1.00 35.54 ATOM 1951 HD13 ILE 124 -4.910 -26.494 20.045 1.00 41.45 ATOM 1952 C ILE 124 -7.226 -21.222 18.685 1.00 55.32 ATOM 1953 O ILE 124 -8.386 -21.009 19.037 1.00 22.13 ATOM 1954 N GLY 125 -6.304 -20.267 18.620 1.00 44.44 ATOM 1955 HN GLY 125 -5.383 -20.478 18.354 1.00 37.41 ATOM 1956 CA GLY 125 -6.628 -18.896 18.969 1.00 33.25 ATOM 1957 HA1 GLY 125 -7.689 -18.714 18.847 1.00 37.41 ATOM 1958 HA2 GLY 125 -6.092 -18.240 18.298 1.00 74.42 ATOM 1959 C GLY 125 -6.234 -18.552 20.392 1.00 43.10 ATOM 1960 O GLY 125 -7.086 -18.462 21.276 1.00 14.14 ATOM 1961 N LEU 126 -4.938 -18.360 20.615 1.00 72.22 ATOM 1962 HN LEU 126 -4.303 -18.438 19.863 1.00 37.41 ATOM 1963 HA LEU 126 -4.868 -18.712 22.652 1.00 34.31 ATOM 1964 CB LEU 126 -2.908 -18.164 21.977 1.00 54.04 ATOM 1965 HB1 LEU 126 -2.524 -17.613 22.830 1.00 37.41 ATOM 1966 HB2 LEU 126 -2.517 -17.701 21.079 1.00 12.10 ATOM 1967 CG LEU 126 -2.366 -19.591 22.057 1.00 20.42 ATOM 1968 HG LEU 126 -2.830 -20.190 21.286 1.00 73.33 ATOM 1969 CD1 LEU 126 -0.864 -19.606 21.821 1.00 43.31 ATOM 1970 HD11 LEU 126 -0.368 -19.021 22.584 1.00 45.20 ATOM 1971 HD12 LEU 126 -0.646 -19.186 20.849 1.00 74.24 ATOM 1972 HD13 LEU 126 -0.501 -20.624 21.857 1.00 24.51 ATOM 1973 CD2 LEU 126 -2.702 -20.214 23.404 1.00 22.34 ATOM 1974 HD21 LEU 126 -3.773 -20.266 23.526 1.00 63.53 ATOM 1975 HD22 LEU 126 -2.279 -19.616 24.199 1.00 53.42 ATOM 1976 HD23 LEU 126 -2.292 -21.214 23.453 1.00 11.33 ATOM 1977 CA LEU 126 -4.431 -18.025 21.941 1.00 33.41 ATOM 1978 C LEU 126 -4.834 -16.608 22.336 1.00 23.10 ATOM 1979 OT1 LEU 126 -4.527 -15.667 21.571 1.00 37.41 ATOM 1980 OT2 LEU 126 -5.455 -16.446 23.409 1.00 37.41 ATOM 1981 OH2 TIP3 1 -7.894 -47.203 16.237 0.00 0.00 WAT1 ATOM 1982 H1 TIP3 1 -7.932 -47.849 16.942 0.00 0.00 WAT1 ATOM 1983 H2 TIP3 1 -8.217 -47.669 15.466 0.00 0.00 WAT1 ATOM 1984 OH2 TIP3 2 -4.188 -44.264 14.539 0.00 0.00 WAT1 ATOM 1985 H1 TIP3 2 -4.629 -44.984 14.989 0.00 0.00 WAT1 ATOM 1986 H2 TIP3 2 -4.201 -43.543 15.169 0.00 0.00 WAT1 ATOM 1987 OH2 TIP3 3 -9.505 -44.770 16.643 0.00 0.00 WAT1 ATOM 1988 H1 TIP3 3 -9.201 -45.456 16.049 0.00 0.00 WAT1 ATOM 1989 H2 TIP3 3 -8.783 -44.652 17.261 0.00 0.00 WAT1 ATOM 1990 OH2 TIP3 4 -7.030 -43.857 11.861 0.00 0.00 WAT1 ATOM 1991 H1 TIP3 4 -7.326 -44.179 11.010 0.00 0.00 WAT1 ATOM 1992 H2 TIP3 4 -7.354 -42.957 11.903 0.00 0.00 WAT1 ATOM 1993 OH2 TIP3 5 -11.830 -45.681 18.605 0.00 0.00 WAT1 ATOM 1994 H1 TIP3 5 -12.570 -45.083 18.708 0.00 0.00 WAT1 ATOM 1995 H2 TIP3 5 -11.116 -45.127 18.289 0.00 0.00 WAT1 ATOM 1996 OH2 TIP3 6 -13.422 -43.717 19.392 0.00 0.00 WAT1 ATOM 1997 H1 TIP3 6 -13.428 -42.838 19.014 0.00 0.00 WAT1 ATOM 1998 H2 TIP3 6 -14.276 -43.800 19.817 0.00 0.00 WAT1 ATOM 1999 OH2 TIP3 7 -5.424 -40.643 13.512 0.00 0.00 WAT1 ATOM 2000 H1 TIP3 7 -4.999 -41.350 13.027 0.00 0.00 WAT1 ATOM 2001 H2 TIP3 7 -5.107 -39.842 13.095 0.00 0.00 WAT1 ATOM 2002 OH2 TIP3 8 -4.265 -42.742 12.021 0.00 0.00 WAT1 ATOM 2003 H1 TIP3 8 -4.522 -43.432 11.409 0.00 0.00 WAT1 ATOM 2004 H2 TIP3 8 -4.194 -43.185 12.866 0.00 0.00 WAT1 ATOM 2005 OH2 TIP3 9 -2.579 -44.176 20.498 0.00 0.00 WAT1 ATOM 2006 H1 TIP3 9 -2.439 -44.767 19.759 0.00 0.00 WAT1 ATOM 2007 H2 TIP3 9 -2.411 -43.303 20.142 0.00 0.00 WAT1 ATOM 2008 OH2 TIP3 10 -11.688 -42.946 15.786 0.00 0.00 WAT1 ATOM 2009 H1 TIP3 10 -11.783 -43.524 15.029 0.00 0.00 WAT1 ATOM 2010 H2 TIP3 10 -10.959 -43.317 16.282 0.00 0.00 WAT1 ATOM 2011 OH2 TIP3 11 -11.808 -43.206 21.455 0.00 0.00 WAT1 ATOM 2012 H1 TIP3 11 -12.120 -42.424 21.911 0.00 0.00 WAT1 ATOM 2013 H2 TIP3 11 -12.458 -43.359 20.769 0.00 0.00 WAT1 ATOM 2014 OH2 TIP3 12 -8.103 -41.105 12.342 0.00 0.00 WAT1 ATOM 2015 H1 TIP3 12 -7.629 -40.810 13.120 0.00 0.00 WAT1 ATOM 2016 H2 TIP3 12 -8.666 -40.367 12.109 0.00 0.00 WAT1 ATOM 2017 OH2 TIP3 13 -13.569 -41.134 22.219 0.00 0.00 WAT1 ATOM 2018 H1 TIP3 13 -13.561 -41.270 21.271 0.00 0.00 WAT1 ATOM 2019 H2 TIP3 13 -14.485 -41.252 22.471 0.00 0.00 WAT1 ATOM 2020 OH2 TIP3 14 -8.631 -38.149 10.757 0.00 0.00 WAT1 ATOM 2021 H1 TIP3 14 -8.706 -38.270 9.811 0.00 0.00 WAT1 ATOM 2022 H2 TIP3 14 -8.598 -37.199 10.876 0.00 0.00 WAT1 ATOM 2023 OH2 TIP3 15 -5.860 -39.069 10.509 0.00 0.00 WAT1 ATOM 2024 H1 TIP3 15 -6.795 -38.969 10.688 0.00 0.00 WAT1 ATOM 2025 H2 TIP3 15 -5.580 -39.778 11.087 0.00 0.00 WAT1 ATOM 2026 OH2 TIP3 16 -2.794 -46.012 18.413 0.00 0.00 WAT1 ATOM 2027 H1 TIP3 16 -2.152 -45.555 17.870 0.00 0.00 WAT1 ATOM 2028 H2 TIP3 16 -3.624 -45.899 17.951 0.00 0.00 WAT1 ATOM 2029 OH2 TIP3 17 -8.424 -44.961 20.864 0.00 0.00 WAT1 ATOM 2030 H1 TIP3 17 -8.770 -45.342 21.670 0.00 0.00 WAT1 ATOM 2031 H2 TIP3 17 -8.624 -44.027 20.935 0.00 0.00 WAT1 ATOM 2032 OH2 TIP3 18 -0.479 -44.454 22.018 0.00 0.00 WAT1 ATOM 2033 H1 TIP3 18 -1.331 -44.216 21.651 0.00 0.00 WAT1 ATOM 2034 H2 TIP3 18 0.111 -44.471 21.265 0.00 0.00 WAT1 ATOM 2035 OH2 TIP3 19 -4.987 -46.660 16.668 0.00 0.00 WAT1 ATOM 2036 H1 TIP3 19 -5.915 -46.892 16.641 0.00 0.00 WAT1 ATOM 2037 H2 TIP3 19 -4.536 -47.437 16.338 0.00 0.00 WAT1 ATOM 2038 OH2 TIP3 20 -10.502 -40.520 18.692 0.00 0.00 WAT1 ATOM 2039 H1 TIP3 20 -10.139 -39.665 18.459 0.00 0.00 WAT1 ATOM 2040 H2 TIP3 20 -9.970 -40.812 19.433 0.00 0.00 WAT1 ATOM 2041 OH2 TIP3 21 -6.958 -44.421 18.393 0.00 0.00 WAT1 ATOM 2042 H1 TIP3 21 -7.384 -44.648 19.219 0.00 0.00 WAT1 ATOM 2043 H2 TIP3 21 -6.377 -45.159 18.210 0.00 0.00 WAT1 ATOM 2044 OH2 TIP3 22 -0.251 -39.012 7.668 0.00 0.00 WAT1 ATOM 2045 H1 TIP3 22 0.492 -38.426 7.528 0.00 0.00 WAT1 ATOM 2046 H2 TIP3 22 -0.946 -38.444 8.001 0.00 0.00 WAT1 ATOM 2047 OH2 TIP3 23 -12.718 -40.025 24.677 0.00 0.00 WAT1 ATOM 2048 H1 TIP3 23 -11.950 -40.484 25.018 0.00 0.00 WAT1 ATOM 2049 H2 TIP3 23 -12.739 -40.251 23.747 0.00 0.00 WAT1 ATOM 2050 OH2 TIP3 24 -10.753 -45.164 23.444 0.00 0.00 WAT1 ATOM 2051 H1 TIP3 24 -11.081 -44.893 22.586 0.00 0.00 WAT1 ATOM 2052 H2 TIP3 24 -10.601 -46.105 23.356 0.00 0.00 WAT1 ATOM 2053 OH2 TIP3 25 -5.018 -45.248 20.827 0.00 0.00 WAT1 ATOM 2054 H1 TIP3 25 -4.273 -44.660 20.707 0.00 0.00 WAT1 ATOM 2055 H2 TIP3 25 -5.775 -44.666 20.890 0.00 0.00 WAT1 ATOM 2056 OH2 TIP3 26 -2.299 -43.608 24.618 0.00 0.00 WAT1 ATOM 2057 H1 TIP3 26 -3.165 -43.713 25.012 0.00 0.00 WAT1 ATOM 2058 H2 TIP3 26 -1.923 -42.849 25.065 0.00 0.00 WAT1 ATOM 2059 OH2 TIP3 27 -0.845 -44.513 16.904 0.00 0.00 WAT1 ATOM 2060 H1 TIP3 27 -0.011 -44.891 16.623 0.00 0.00 WAT1 ATOM 2061 H2 TIP3 27 -0.733 -43.570 16.785 0.00 0.00 WAT1 ATOM 2062 OH2 TIP3 28 -3.575 -38.875 12.630 0.00 0.00 WAT1 ATOM 2063 H1 TIP3 28 -2.922 -39.222 12.022 0.00 0.00 WAT1 ATOM 2064 H2 TIP3 28 -3.064 -38.386 13.276 0.00 0.00 WAT1 ATOM 2065 OH2 TIP3 29 -13.236 -40.971 19.432 0.00 0.00 WAT1 ATOM 2066 H1 TIP3 29 -13.661 -40.162 19.149 0.00 0.00 WAT1 ATOM 2067 H2 TIP3 29 -12.331 -40.886 19.130 0.00 0.00 WAT1 ATOM 2068 OH2 TIP3 30 -13.367 -38.115 18.509 0.00 0.00 WAT1 ATOM 2069 H1 TIP3 30 -14.232 -38.043 18.913 0.00 0.00 WAT1 ATOM 2070 H2 TIP3 30 -13.422 -37.568 17.725 0.00 0.00 WAT1 ATOM 2071 OH2 TIP3 31 -11.741 -39.912 15.893 0.00 0.00 WAT1 ATOM 2072 H1 TIP3 31 -11.528 -40.800 15.606 0.00 0.00 WAT1 ATOM 2073 H2 TIP3 31 -11.676 -39.946 16.848 0.00 0.00 WAT1 ATOM 2074 OH2 TIP3 32 -1.595 -39.095 10.638 0.00 0.00 WAT1 ATOM 2075 H1 TIP3 32 -1.789 -39.843 10.073 0.00 0.00 WAT1 ATOM 2076 H2 TIP3 32 -1.634 -38.337 10.054 0.00 0.00 WAT1 ATOM 2077 OH2 TIP3 33 -4.188 -44.264 33.395 0.00 0.00 WAT1 ATOM 2078 H1 TIP3 33 -4.629 -44.984 33.845 0.00 0.00 WAT1 ATOM 2079 H2 TIP3 33 -4.201 -43.543 34.025 0.00 0.00 WAT1 ATOM 2080 OH2 TIP3 34 -7.077 -39.159 33.607 0.00 0.00 WAT1 ATOM 2081 H1 TIP3 34 -6.457 -39.836 33.334 0.00 0.00 WAT1 ATOM 2082 H2 TIP3 34 -7.285 -39.377 34.515 0.00 0.00 WAT1 ATOM 2083 OH2 TIP3 35 -5.424 -40.643 32.368 0.00 0.00 WAT1 ATOM 2084 H1 TIP3 35 -4.999 -41.350 31.883 0.00 0.00 WAT1 ATOM 2085 H2 TIP3 35 -5.107 -39.842 31.951 0.00 0.00 WAT1 ATOM 2086 OH2 TIP3 36 -4.265 -42.742 30.877 0.00 0.00 WAT1 ATOM 2087 H1 TIP3 36 -4.522 -43.432 30.265 0.00 0.00 WAT1 ATOM 2088 H2 TIP3 36 -4.194 -43.185 31.722 0.00 0.00 WAT1 ATOM 2089 OH2 TIP3 37 -2.579 -44.176 39.354 0.00 0.00 WAT1 ATOM 2090 H1 TIP3 37 -2.439 -44.767 38.615 0.00 0.00 WAT1 ATOM 2091 H2 TIP3 37 -2.411 -43.303 38.998 0.00 0.00 WAT1 ATOM 2092 OH2 TIP3 38 -6.379 -42.102 36.328 0.00 0.00 WAT1 ATOM 2093 H1 TIP3 38 -6.620 -41.440 36.976 0.00 0.00 WAT1 ATOM 2094 H2 TIP3 38 -6.577 -42.936 36.753 0.00 0.00 WAT1 ATOM 2095 OH2 TIP3 39 -8.103 -41.105 31.198 0.00 0.00 WAT1 ATOM 2096 H1 TIP3 39 -7.629 -40.810 31.976 0.00 0.00 WAT1 ATOM 2097 H2 TIP3 39 -8.666 -40.367 30.965 0.00 0.00 WAT1 ATOM 2098 OH2 TIP3 40 -0.024 -41.495 40.931 0.00 0.00 WAT1 ATOM 2099 H1 TIP3 40 -0.073 -42.450 40.894 0.00 0.00 WAT1 ATOM 2100 H2 TIP3 40 -0.850 -41.227 41.333 0.00 0.00 WAT1 ATOM 2101 OH2 TIP3 41 -9.045 -41.921 39.807 0.00 0.00 WAT1 ATOM 2102 H1 TIP3 41 -8.958 -41.095 40.282 0.00 0.00 WAT1 ATOM 2103 H2 TIP3 41 -9.909 -42.251 40.056 0.00 0.00 WAT1 ATOM 2104 OH2 TIP3 42 -8.631 -38.149 29.613 0.00 0.00 WAT1 ATOM 2105 H1 TIP3 42 -8.706 -38.270 28.667 0.00 0.00 WAT1 ATOM 2106 H2 TIP3 42 -8.598 -37.199 29.732 0.00 0.00 WAT1 ATOM 2107 OH2 TIP3 43 -5.860 -39.069 29.365 0.00 0.00 WAT1 ATOM 2108 H1 TIP3 43 -6.795 -38.969 29.544 0.00 0.00 WAT1 ATOM 2109 H2 TIP3 43 -5.580 -39.778 29.943 0.00 0.00 WAT1 ATOM 2110 OH2 TIP3 44 -2.742 -37.627 42.038 0.00 0.00 WAT1 ATOM 2111 H1 TIP3 44 -2.542 -37.203 41.203 0.00 0.00 WAT1 ATOM 2112 H2 TIP3 44 -2.086 -37.284 42.645 0.00 0.00 WAT1 ATOM 2113 OH2 TIP3 45 -2.794 -46.012 37.269 0.00 0.00 WAT1 ATOM 2114 H1 TIP3 45 -2.152 -45.555 36.726 0.00 0.00 WAT1 ATOM 2115 H2 TIP3 45 -3.624 -45.899 36.807 0.00 0.00 WAT1 ATOM 2116 OH2 TIP3 46 -8.424 -44.961 39.720 0.00 0.00 WAT1 ATOM 2117 H1 TIP3 46 -8.770 -45.342 40.526 0.00 0.00 WAT1 ATOM 2118 H2 TIP3 46 -8.624 -44.027 39.791 0.00 0.00 WAT1 ATOM 2119 OH2 TIP3 47 -6.174 -42.499 39.670 0.00 0.00 WAT1 ATOM 2120 H1 TIP3 47 -7.075 -42.316 39.402 0.00 0.00 WAT1 ATOM 2121 H2 TIP3 47 -6.140 -42.240 40.591 0.00 0.00 WAT1 ATOM 2122 OH2 TIP3 48 -0.479 -44.454 40.874 0.00 0.00 WAT1 ATOM 2123 H1 TIP3 48 -1.331 -44.216 40.507 0.00 0.00 WAT1 ATOM 2124 H2 TIP3 48 0.111 -44.471 40.121 0.00 0.00 WAT1 ATOM 2125 OH2 TIP3 49 -4.987 -46.660 35.524 0.00 0.00 WAT1 ATOM 2126 H1 TIP3 49 -5.915 -46.892 35.497 0.00 0.00 WAT1 ATOM 2127 H2 TIP3 49 -4.536 -47.437 35.194 0.00 0.00 WAT1 ATOM 2128 OH2 TIP3 50 -10.502 -40.520 37.548 0.00 0.00 WAT1 ATOM 2129 H1 TIP3 50 -10.139 -39.665 37.315 0.00 0.00 WAT1 ATOM 2130 H2 TIP3 50 -9.970 -40.812 38.289 0.00 0.00 WAT1 ATOM 2131 OH2 TIP3 51 -6.958 -44.421 37.249 0.00 0.00 WAT1 ATOM 2132 H1 TIP3 51 -7.384 -44.648 38.075 0.00 0.00 WAT1 ATOM 2133 H2 TIP3 51 -6.377 -45.159 37.066 0.00 0.00 WAT1 ATOM 2134 OH2 TIP3 52 -4.755 -43.492 26.323 0.00 0.00 WAT1 ATOM 2135 H1 TIP3 52 -4.402 -43.872 27.127 0.00 0.00 WAT1 ATOM 2136 H2 TIP3 52 -5.704 -43.585 26.409 0.00 0.00 WAT1 ATOM 2137 OH2 TIP3 53 -3.889 -44.819 28.549 0.00 0.00 WAT1 ATOM 2138 H1 TIP3 53 -4.166 -45.547 29.105 0.00 0.00 WAT1 ATOM 2139 H2 TIP3 53 -2.962 -44.700 28.755 0.00 0.00 WAT1 ATOM 2140 OH2 TIP3 54 -10.664 -42.380 24.770 0.00 0.00 WAT1 ATOM 2141 H1 TIP3 54 -10.425 -43.128 24.222 0.00 0.00 WAT1 ATOM 2142 H2 TIP3 54 -10.933 -42.768 25.602 0.00 0.00 WAT1 ATOM 2143 OH2 TIP3 55 -8.989 -41.112 27.975 0.00 0.00 WAT1 ATOM 2144 H1 TIP3 55 -9.806 -40.615 28.028 0.00 0.00 WAT1 ATOM 2145 H2 TIP3 55 -8.460 -40.637 27.335 0.00 0.00 WAT1 ATOM 2146 OH2 TIP3 56 -8.626 -40.517 24.908 0.00 0.00 WAT1 ATOM 2147 H1 TIP3 56 -9.270 -41.148 25.230 0.00 0.00 WAT1 ATOM 2148 H2 TIP3 56 -7.864 -41.048 24.676 0.00 0.00 WAT1 ATOM 2149 OH2 TIP3 57 -6.141 -41.645 42.262 0.00 0.00 WAT1 ATOM 2150 H1 TIP3 57 -6.492 -42.501 42.505 0.00 0.00 WAT1 ATOM 2151 H2 TIP3 57 -5.415 -41.502 42.869 0.00 0.00 WAT1 ATOM 2152 OH2 TIP3 58 -7.715 -43.743 24.735 0.00 0.00 WAT1 ATOM 2153 H1 TIP3 58 -7.983 -43.563 25.636 0.00 0.00 WAT1 ATOM 2154 H2 TIP3 58 -7.921 -44.669 24.604 0.00 0.00 WAT1 ATOM 2155 OH2 TIP3 59 -5.018 -45.248 39.683 0.00 0.00 WAT1 ATOM 2156 H1 TIP3 59 -4.273 -44.660 39.563 0.00 0.00 WAT1 ATOM 2157 H2 TIP3 59 -5.775 -44.666 39.746 0.00 0.00 WAT1 ATOM 2158 OH2 TIP3 60 -1.457 -46.220 25.013 0.00 0.00 WAT1 ATOM 2159 H1 TIP3 60 -1.730 -46.645 24.200 0.00 0.00 WAT1 ATOM 2160 H2 TIP3 60 -1.417 -45.289 24.796 0.00 0.00 WAT1 ATOM 2161 OH2 TIP3 61 -10.949 -37.884 26.569 0.00 0.00 WAT1 ATOM 2162 H1 TIP3 61 -10.016 -37.726 26.713 0.00 0.00 WAT1 ATOM 2163 H2 TIP3 61 -11.213 -37.209 25.944 0.00 0.00 WAT1 ATOM 2164 OH2 TIP3 62 -2.299 -43.608 43.474 0.00 0.00 WAT1 ATOM 2165 H1 TIP3 62 -3.165 -43.713 43.868 0.00 0.00 WAT1 ATOM 2166 H2 TIP3 62 -1.923 -42.849 43.921 0.00 0.00 WAT1 ATOM 2167 OH2 TIP3 63 -0.998 -45.351 28.988 0.00 0.00 WAT1 ATOM 2168 H1 TIP3 63 -0.148 -44.930 29.116 0.00 0.00 WAT1 ATOM 2169 H2 TIP3 63 -0.993 -46.091 29.596 0.00 0.00 WAT1 ATOM 2170 OH2 TIP3 64 -0.604 -47.298 30.812 0.00 0.00 WAT1 ATOM 2171 H1 TIP3 64 -1.330 -47.777 31.210 0.00 0.00 WAT1 ATOM 2172 H2 TIP3 64 -0.023 -47.092 31.544 0.00 0.00 WAT1 ATOM 2173 OH2 TIP3 65 -0.845 -44.513 35.760 0.00 0.00 WAT1 ATOM 2174 H1 TIP3 65 -0.011 -44.891 35.479 0.00 0.00 WAT1 ATOM 2175 H2 TIP3 65 -0.733 -43.570 35.641 0.00 0.00 WAT1 ATOM 2176 OH2 TIP3 66 -0.336 -47.397 27.203 0.00 0.00 WAT1 ATOM 2177 H1 TIP3 66 -0.857 -47.040 26.484 0.00 0.00 WAT1 ATOM 2178 H2 TIP3 66 -0.369 -46.722 27.881 0.00 0.00 WAT1 ATOM 2179 OH2 TIP3 67 -3.575 -38.875 31.486 0.00 0.00 WAT1 ATOM 2180 H1 TIP3 67 -2.922 -39.222 30.878 0.00 0.00 WAT1 ATOM 2181 H2 TIP3 67 -3.064 -38.386 32.132 0.00 0.00 WAT1 ATOM 2182 OH2 TIP3 68 -8.925 -39.572 41.247 0.00 0.00 WAT1 ATOM 2183 H1 TIP3 68 -8.740 -39.906 42.125 0.00 0.00 WAT1 ATOM 2184 H2 TIP3 68 -8.078 -39.263 40.925 0.00 0.00 WAT1 ATOM 2185 OH2 TIP3 69 -8.656 -38.227 36.541 0.00 0.00 WAT1 ATOM 2186 H1 TIP3 69 -9.113 -37.698 35.887 0.00 0.00 WAT1 ATOM 2187 H2 TIP3 69 -8.493 -37.624 37.266 0.00 0.00 WAT1 ATOM 2188 OH2 TIP3 70 -8.304 -38.658 26.814 0.00 0.00 WAT1 ATOM 2189 H1 TIP3 70 -7.438 -38.292 26.636 0.00 0.00 WAT1 ATOM 2190 H2 TIP3 70 -8.551 -39.098 26.001 0.00 0.00 WAT1 ATOM 2191 OH2 TIP3 71 -0.941 -41.726 44.809 0.00 0.00 WAT1 ATOM 2192 H1 TIP3 71 -0.868 -40.787 44.979 0.00 0.00 WAT1 ATOM 2193 H2 TIP3 71 -0.036 -42.031 44.752 0.00 0.00 WAT1 ATOM 2194 OH2 TIP3 72 -5.529 -38.995 45.472 0.00 0.00 WAT1 ATOM 2195 H1 TIP3 72 -5.154 -39.739 45.001 0.00 0.00 WAT1 ATOM 2196 H2 TIP3 72 -5.525 -39.265 46.390 0.00 0.00 WAT1 ATOM 2197 OH2 TIP3 73 -0.251 -39.012 45.380 0.00 0.00 WAT1 ATOM 2198 H1 TIP3 73 0.492 -38.426 45.240 0.00 0.00 WAT1 ATOM 2199 H2 TIP3 73 -0.946 -38.444 45.713 0.00 0.00 WAT1 ATOM 2200 OH2 TIP3 74 -8.626 -40.517 43.764 0.00 0.00 WAT1 ATOM 2201 H1 TIP3 74 -9.270 -41.148 44.086 0.00 0.00 WAT1 ATOM 2202 H2 TIP3 74 -7.864 -41.048 43.532 0.00 0.00 WAT1 ATOM 2203 OH2 TIP3 75 -4.022 -40.700 43.998 0.00 0.00 WAT1 ATOM 2204 H1 TIP3 75 -3.739 -41.494 44.451 0.00 0.00 WAT1 ATOM 2205 H2 TIP3 75 -3.282 -40.467 43.437 0.00 0.00 WAT1 ATOM 2206 OH2 TIP3 76 -3.676 -23.568 -1.969 0.00 0.00 WAT1 ATOM 2207 H1 TIP3 76 -4.618 -23.510 -1.808 0.00 0.00 WAT1 ATOM 2208 H2 TIP3 76 -3.400 -22.662 -2.106 0.00 0.00 WAT1 ATOM 2209 OH2 TIP3 77 -2.579 -25.320 1.642 0.00 0.00 WAT1 ATOM 2210 H1 TIP3 77 -2.439 -25.911 0.903 0.00 0.00 WAT1 ATOM 2211 H2 TIP3 77 -2.411 -24.447 1.286 0.00 0.00 WAT1 ATOM 2212 OH2 TIP3 78 -2.742 -18.771 4.326 0.00 0.00 WAT1 ATOM 2213 H1 TIP3 78 -2.542 -18.347 3.491 0.00 0.00 WAT1 ATOM 2214 H2 TIP3 78 -2.086 -18.428 4.933 0.00 0.00 WAT1 ATOM 2215 OH2 TIP3 79 -6.174 -23.643 1.958 0.00 0.00 WAT1 ATOM 2216 H1 TIP3 79 -7.075 -23.460 1.690 0.00 0.00 WAT1 ATOM 2217 H2 TIP3 79 -6.140 -23.384 2.879 0.00 0.00 WAT1 ATOM 2218 OH2 TIP3 80 -0.479 -25.598 3.162 0.00 0.00 WAT1 ATOM 2219 H1 TIP3 80 -1.331 -25.360 2.795 0.00 0.00 WAT1 ATOM 2220 H2 TIP3 80 0.111 -25.615 2.409 0.00 0.00 WAT1 ATOM 2221 OH2 TIP3 81 -4.299 -21.013 2.006 0.00 0.00 WAT1 ATOM 2222 H1 TIP3 81 -4.901 -21.568 1.511 0.00 0.00 WAT1 ATOM 2223 H2 TIP3 81 -4.018 -20.346 1.380 0.00 0.00 WAT1 ATOM 2224 OH2 TIP3 82 -3.029 -20.759 -2.027 0.00 0.00 WAT1 ATOM 2225 H1 TIP3 82 -3.185 -20.081 -2.684 0.00 0.00 WAT1 ATOM 2226 H2 TIP3 82 -2.097 -20.687 -1.824 0.00 0.00 WAT1 ATOM 2227 OH2 TIP3 83 -6.141 -22.789 4.550 0.00 0.00 WAT1 ATOM 2228 H1 TIP3 83 -6.492 -23.645 4.793 0.00 0.00 WAT1 ATOM 2229 H2 TIP3 83 -5.415 -22.646 5.157 0.00 0.00 WAT1 ATOM 2230 OH2 TIP3 84 -2.299 -24.752 5.762 0.00 0.00 WAT1 ATOM 2231 H1 TIP3 84 -3.165 -24.857 6.156 0.00 0.00 WAT1 ATOM 2232 H2 TIP3 84 -1.923 -23.993 6.209 0.00 0.00 WAT1 ATOM 2233 OH2 TIP3 85 -0.845 -25.657 -1.952 0.00 0.00 WAT1 ATOM 2234 H1 TIP3 85 -0.011 -26.035 -2.233 0.00 0.00 WAT1 ATOM 2235 H2 TIP3 85 -0.733 -24.714 -2.071 0.00 0.00 WAT1 ATOM 2236 OH2 TIP3 86 -2.358 -22.779 0.355 0.00 0.00 WAT1 ATOM 2237 H1 TIP3 86 -3.006 -22.454 0.980 0.00 0.00 WAT1 ATOM 2238 H2 TIP3 86 -2.876 -23.219 -0.320 0.00 0.00 WAT1 ATOM 2239 OH2 TIP3 87 -0.183 -37.040 5.691 0.00 0.00 WAT1 ATOM 2240 H1 TIP3 87 0.167 -37.694 5.085 0.00 0.00 WAT1 ATOM 2241 H2 TIP3 87 -0.036 -36.203 5.251 0.00 0.00 WAT1 ATOM 2242 OH2 TIP3 88 -6.580 -19.431 2.779 0.00 0.00 WAT1 ATOM 2243 H1 TIP3 88 -5.903 -20.063 2.539 0.00 0.00 WAT1 ATOM 2244 H2 TIP3 88 -6.258 -19.029 3.587 0.00 0.00 WAT1 ATOM 2245 OH2 TIP3 89 -6.329 -20.493 -0.226 0.00 0.00 WAT1 ATOM 2246 H1 TIP3 89 -7.233 -20.328 -0.492 0.00 0.00 WAT1 ATOM 2247 H2 TIP3 89 -5.900 -19.640 -0.292 0.00 0.00 WAT1 ATOM 2248 OH2 TIP3 90 -3.724 -18.923 0.069 0.00 0.00 WAT1 ATOM 2249 H1 TIP3 90 -3.906 -18.007 -0.142 0.00 0.00 WAT1 ATOM 2250 H2 TIP3 90 -3.548 -19.333 -0.778 0.00 0.00 WAT1 ATOM 2251 OH2 TIP3 91 -2.377 -21.488 3.932 0.00 0.00 WAT1 ATOM 2252 H1 TIP3 91 -3.159 -21.674 3.412 0.00 0.00 WAT1 ATOM 2253 H2 TIP3 91 -2.449 -20.559 4.149 0.00 0.00 WAT1 ATOM 2254 OH2 TIP3 92 -7.894 -28.347 16.237 0.00 0.00 WAT1 ATOM 2255 H1 TIP3 92 -7.932 -28.993 16.942 0.00 0.00 WAT1 ATOM 2256 H2 TIP3 92 -8.217 -28.813 15.466 0.00 0.00 WAT1 ATOM 2257 OH2 TIP3 93 -14.602 -24.282 16.365 0.00 0.00 WAT1 ATOM 2258 H1 TIP3 93 -14.972 -25.084 15.996 0.00 0.00 WAT1 ATOM 2259 H2 TIP3 93 -13.661 -24.451 16.412 0.00 0.00 WAT1 ATOM 2260 OH2 TIP3 94 -9.505 -25.914 16.643 0.00 0.00 WAT1 ATOM 2261 H1 TIP3 94 -9.201 -26.600 16.049 0.00 0.00 WAT1 ATOM 2262 H2 TIP3 94 -8.783 -25.796 17.261 0.00 0.00 WAT1 ATOM 2263 OH2 TIP3 95 -6.364 -31.520 16.971 0.00 0.00 WAT1 ATOM 2264 H1 TIP3 95 -6.221 -32.467 16.991 0.00 0.00 WAT1 ATOM 2265 H2 TIP3 95 -6.470 -31.313 16.042 0.00 0.00 WAT1 ATOM 2266 OH2 TIP3 96 -5.487 -33.288 12.644 0.00 0.00 WAT1 ATOM 2267 H1 TIP3 96 -4.841 -33.617 13.269 0.00 0.00 WAT1 ATOM 2268 H2 TIP3 96 -4.977 -32.770 12.021 0.00 0.00 WAT1 ATOM 2269 OH2 TIP3 97 -11.433 -29.472 14.221 0.00 0.00 WAT1 ATOM 2270 H1 TIP3 97 -10.817 -29.998 14.730 0.00 0.00 WAT1 ATOM 2271 H2 TIP3 97 -12.019 -30.112 13.817 0.00 0.00 WAT1 ATOM 2272 OH2 TIP3 98 -11.830 -26.825 18.605 0.00 0.00 WAT1 ATOM 2273 H1 TIP3 98 -12.570 -26.227 18.708 0.00 0.00 WAT1 ATOM 2274 H2 TIP3 98 -11.116 -26.271 18.289 0.00 0.00 WAT1 ATOM 2275 OH2 TIP3 99 -13.422 -24.861 19.392 0.00 0.00 WAT1 ATOM 2276 H1 TIP3 99 -13.428 -23.982 19.014 0.00 0.00 WAT1 ATOM 2277 H2 TIP3 99 -14.276 -24.944 19.817 0.00 0.00 WAT1 ATOM 2278 OH2 TIP3 100 -10.373 -37.195 15.770 0.00 0.00 WAT1 ATOM 2279 H1 TIP3 100 -10.490 -38.144 15.716 0.00 0.00 WAT1 ATOM 2280 H2 TIP3 100 -11.228 -36.863 16.043 0.00 0.00 WAT1 ATOM 2281 OH2 TIP3 101 -8.106 -28.358 10.270 0.00 0.00 WAT1 ATOM 2282 H1 TIP3 101 -8.818 -27.823 9.919 0.00 0.00 WAT1 ATOM 2283 H2 TIP3 101 -7.415 -28.302 9.610 0.00 0.00 WAT1 ATOM 2284 OH2 TIP3 102 -4.700 -28.148 11.222 0.00 0.00 WAT1 ATOM 2285 H1 TIP3 102 -5.432 -27.920 11.795 0.00 0.00 WAT1 ATOM 2286 H2 TIP3 102 -4.253 -28.862 11.677 0.00 0.00 WAT1 ATOM 2287 OH2 TIP3 103 -13.055 -27.518 13.105 0.00 0.00 WAT1 ATOM 2288 H1 TIP3 103 -13.385 -27.888 12.286 0.00 0.00 WAT1 ATOM 2289 H2 TIP3 103 -12.467 -28.188 13.451 0.00 0.00 WAT1 ATOM 2290 OH2 TIP3 104 -11.688 -24.090 15.786 0.00 0.00 WAT1 ATOM 2291 H1 TIP3 104 -11.783 -24.668 15.029 0.00 0.00 WAT1 ATOM 2292 H2 TIP3 104 -10.959 -24.461 16.282 0.00 0.00 WAT1 ATOM 2293 OH2 TIP3 105 -11.808 -24.350 21.455 0.00 0.00 WAT1 ATOM 2294 H1 TIP3 105 -12.120 -23.568 21.911 0.00 0.00 WAT1 ATOM 2295 H2 TIP3 105 -12.458 -24.503 20.769 0.00 0.00 WAT1 ATOM 2296 OH2 TIP3 106 -5.829 -28.986 8.907 0.00 0.00 WAT1 ATOM 2297 H1 TIP3 106 -5.250 -28.836 9.654 0.00 0.00 WAT1 ATOM 2298 H2 TIP3 106 -5.415 -28.515 8.184 0.00 0.00 WAT1 ATOM 2299 OH2 TIP3 107 -13.569 -22.278 22.219 0.00 0.00 WAT1 ATOM 2300 H1 TIP3 107 -13.561 -22.414 21.271 0.00 0.00 WAT1 ATOM 2301 H2 TIP3 107 -14.485 -22.396 22.471 0.00 0.00 WAT1 ATOM 2302 OH2 TIP3 108 -2.131 -37.236 8.720 0.00 0.00 WAT1 ATOM 2303 H1 TIP3 108 -3.030 -37.097 9.015 0.00 0.00 WAT1 ATOM 2304 H2 TIP3 108 -1.879 -36.405 8.318 0.00 0.00 WAT1 ATOM 2305 OH2 TIP3 109 -0.941 -22.870 7.097 0.00 0.00 WAT1 ATOM 2306 H1 TIP3 109 -0.868 -21.931 7.267 0.00 0.00 WAT1 ATOM 2307 H2 TIP3 109 -0.036 -23.175 7.040 0.00 0.00 WAT1 ATOM 2308 OH2 TIP3 110 -8.631 -19.293 10.757 0.00 0.00 WAT1 ATOM 2309 H1 TIP3 110 -8.706 -19.414 9.811 0.00 0.00 WAT1 ATOM 2310 H2 TIP3 110 -8.598 -18.343 10.876 0.00 0.00 WAT1 ATOM 2311 OH2 TIP3 111 -5.529 -20.139 7.760 0.00 0.00 WAT1 ATOM 2312 H1 TIP3 111 -5.154 -20.883 7.289 0.00 0.00 WAT1 ATOM 2313 H2 TIP3 111 -5.525 -20.409 8.678 0.00 0.00 WAT1 ATOM 2314 OH2 TIP3 112 -13.104 -36.292 16.548 0.00 0.00 WAT1 ATOM 2315 H1 TIP3 112 -13.965 -36.379 16.140 0.00 0.00 WAT1 ATOM 2316 H2 TIP3 112 -13.126 -35.436 16.975 0.00 0.00 WAT1 ATOM 2317 OH2 TIP3 113 -4.352 -27.953 6.537 0.00 0.00 WAT1 ATOM 2318 H1 TIP3 113 -4.310 -28.176 5.607 0.00 0.00 WAT1 ATOM 2319 H2 TIP3 113 -3.503 -27.555 6.727 0.00 0.00 WAT1 ATOM 2320 OH2 TIP3 114 -7.480 -30.689 11.372 0.00 0.00 WAT1 ATOM 2321 H1 TIP3 114 -7.889 -29.874 11.080 0.00 0.00 WAT1 ATOM 2322 H2 TIP3 114 -6.760 -30.829 10.757 0.00 0.00 WAT1 ATOM 2323 OH2 TIP3 115 -6.476 -31.243 14.186 0.00 0.00 WAT1 ATOM 2324 H1 TIP3 115 -6.671 -30.638 13.471 0.00 0.00 WAT1 ATOM 2325 H2 TIP3 115 -6.294 -32.077 13.751 0.00 0.00 WAT1 ATOM 2326 OH2 TIP3 116 -7.212 -29.605 18.857 0.00 0.00 WAT1 ATOM 2327 H1 TIP3 116 -6.888 -30.236 18.214 0.00 0.00 WAT1 ATOM 2328 H2 TIP3 116 -7.652 -30.140 19.518 0.00 0.00 WAT1 ATOM 2329 OH2 TIP3 117 -9.114 -30.890 15.528 0.00 0.00 WAT1 ATOM 2330 H1 TIP3 117 -8.550 -31.437 14.981 0.00 0.00 WAT1 ATOM 2331 H2 TIP3 117 -9.262 -31.412 16.317 0.00 0.00 WAT1 ATOM 2332 OH2 TIP3 118 -10.488 -32.502 17.942 0.00 0.00 WAT1 ATOM 2333 H1 TIP3 118 -11.323 -32.048 18.052 0.00 0.00 WAT1 ATOM 2334 H2 TIP3 118 -9.964 -32.226 18.694 0.00 0.00 WAT1 ATOM 2335 OH2 TIP3 119 -9.944 -26.289 9.627 0.00 0.00 WAT1 ATOM 2336 H1 TIP3 119 -10.688 -26.796 9.304 0.00 0.00 WAT1 ATOM 2337 H2 TIP3 119 -10.078 -26.240 10.573 0.00 0.00 WAT1 ATOM 2338 OH2 TIP3 120 -7.818 -24.830 8.652 0.00 0.00 WAT1 ATOM 2339 H1 TIP3 120 -8.113 -24.004 9.034 0.00 0.00 WAT1 ATOM 2340 H2 TIP3 120 -8.521 -25.450 8.848 0.00 0.00 WAT1 ATOM 2341 OH2 TIP3 121 -10.794 -29.016 22.924 0.00 0.00 WAT1 ATOM 2342 H1 TIP3 121 -11.090 -29.182 22.029 0.00 0.00 WAT1 ATOM 2343 H2 TIP3 121 -9.863 -29.236 22.914 0.00 0.00 WAT1 ATOM 2344 OH2 TIP3 122 -0.443 -31.398 9.181 0.00 0.00 WAT1 ATOM 2345 H1 TIP3 122 -0.997 -31.794 8.509 0.00 0.00 WAT1 ATOM 2346 H2 TIP3 122 -0.342 -30.488 8.904 0.00 0.00 WAT1 ATOM 2347 OH2 TIP3 123 -2.147 -22.612 9.646 0.00 0.00 WAT1 ATOM 2348 H1 TIP3 123 -2.520 -23.438 9.956 0.00 0.00 WAT1 ATOM 2349 H2 TIP3 123 -1.870 -22.795 8.749 0.00 0.00 WAT1 ATOM 2350 OH2 TIP3 124 -12.444 -23.476 12.801 0.00 0.00 WAT1 ATOM 2351 H1 TIP3 124 -11.917 -22.703 12.600 0.00 0.00 WAT1 ATOM 2352 H2 TIP3 124 -13.324 -23.251 12.499 0.00 0.00 WAT1 ATOM 2353 OH2 TIP3 125 -11.017 -25.813 12.377 0.00 0.00 WAT1 ATOM 2354 H1 TIP3 125 -11.258 -24.888 12.419 0.00 0.00 WAT1 ATOM 2355 H2 TIP3 125 -11.757 -26.272 12.773 0.00 0.00 WAT1 ATOM 2356 OH2 TIP3 126 -12.333 -20.791 11.922 0.00 0.00 WAT1 ATOM 2357 H1 TIP3 126 -13.283 -20.686 11.974 0.00 0.00 WAT1 ATOM 2358 H2 TIP3 126 -11.982 -19.971 12.267 0.00 0.00 WAT1 ATOM 2359 OH2 TIP3 127 -4.755 -24.636 7.467 0.00 0.00 WAT1 ATOM 2360 H1 TIP3 127 -4.402 -25.016 8.271 0.00 0.00 WAT1 ATOM 2361 H2 TIP3 127 -5.704 -24.729 7.553 0.00 0.00 WAT1 ATOM 2362 OH2 TIP3 128 -3.889 -25.963 9.693 0.00 0.00 WAT1 ATOM 2363 H1 TIP3 128 -4.166 -26.691 10.249 0.00 0.00 WAT1 ATOM 2364 H2 TIP3 128 -2.962 -25.844 9.899 0.00 0.00 WAT1 ATOM 2365 OH2 TIP3 129 -11.727 -23.954 8.370 0.00 0.00 WAT1 ATOM 2366 H1 TIP3 129 -11.580 -24.474 9.160 0.00 0.00 WAT1 ATOM 2367 H2 TIP3 129 -11.730 -23.047 8.676 0.00 0.00 WAT1 ATOM 2368 OH2 TIP3 130 -8.989 -22.256 9.119 0.00 0.00 WAT1 ATOM 2369 H1 TIP3 130 -9.806 -21.759 9.172 0.00 0.00 WAT1 ATOM 2370 H2 TIP3 130 -8.460 -21.781 8.479 0.00 0.00 WAT1 ATOM 2371 OH2 TIP3 131 -8.922 -31.673 20.276 0.00 0.00 WAT1 ATOM 2372 H1 TIP3 131 -8.803 -31.099 21.033 0.00 0.00 WAT1 ATOM 2373 H2 TIP3 131 -8.267 -32.361 20.391 0.00 0.00 WAT1 ATOM 2374 OH2 TIP3 132 -8.574 -35.578 12.029 0.00 0.00 WAT1 ATOM 2375 H1 TIP3 132 -8.921 -34.960 12.674 0.00 0.00 WAT1 ATOM 2376 H2 TIP3 132 -7.916 -35.077 11.548 0.00 0.00 WAT1 ATOM 2377 OH2 TIP3 133 -11.651 -21.213 9.101 0.00 0.00 WAT1 ATOM 2378 H1 TIP3 133 -11.490 -20.413 8.600 0.00 0.00 WAT1 ATOM 2379 H2 TIP3 133 -11.848 -20.906 9.986 0.00 0.00 WAT1 ATOM 2380 OH2 TIP3 134 -4.116 -30.015 15.207 0.00 0.00 WAT1 ATOM 2381 H1 TIP3 134 -4.913 -30.430 14.878 0.00 0.00 WAT1 ATOM 2382 H2 TIP3 134 -3.671 -30.706 15.698 0.00 0.00 WAT1 ATOM 2383 OH2 TIP3 135 -12.718 -21.169 24.677 0.00 0.00 WAT1 ATOM 2384 H1 TIP3 135 -11.950 -21.628 25.018 0.00 0.00 WAT1 ATOM 2385 H2 TIP3 135 -12.739 -21.395 23.747 0.00 0.00 WAT1 ATOM 2386 OH2 TIP3 136 -8.626 -21.661 6.052 0.00 0.00 WAT1 ATOM 2387 H1 TIP3 136 -9.270 -22.292 6.374 0.00 0.00 WAT1 ATOM 2388 H2 TIP3 136 -7.864 -22.192 5.820 0.00 0.00 WAT1 ATOM 2389 OH2 TIP3 137 -4.022 -21.844 6.286 0.00 0.00 WAT1 ATOM 2390 H1 TIP3 137 -3.739 -22.638 6.739 0.00 0.00 WAT1 ATOM 2391 H2 TIP3 137 -3.282 -21.611 5.725 0.00 0.00 WAT1 ATOM 2392 OH2 TIP3 138 -10.753 -26.308 23.444 0.00 0.00 WAT1 ATOM 2393 H1 TIP3 138 -11.081 -26.037 22.586 0.00 0.00 WAT1 ATOM 2394 H2 TIP3 138 -10.601 -27.249 23.356 0.00 0.00 WAT1 ATOM 2395 OH2 TIP3 139 -7.715 -24.887 5.879 0.00 0.00 WAT1 ATOM 2396 H1 TIP3 139 -7.983 -24.707 6.780 0.00 0.00 WAT1 ATOM 2397 H2 TIP3 139 -7.921 -25.813 5.748 0.00 0.00 WAT1 ATOM 2398 OH2 TIP3 140 -12.629 -30.069 20.805 0.00 0.00 WAT1 ATOM 2399 H1 TIP3 140 -13.247 -29.394 21.086 0.00 0.00 WAT1 ATOM 2400 H2 TIP3 140 -12.285 -29.748 19.972 0.00 0.00 WAT1 ATOM 2401 OH2 TIP3 141 -1.457 -27.364 6.157 0.00 0.00 WAT1 ATOM 2402 H1 TIP3 141 -1.730 -27.789 5.344 0.00 0.00 WAT1 ATOM 2403 H2 TIP3 141 -1.417 -26.433 5.940 0.00 0.00 WAT1 ATOM 2404 OH2 TIP3 142 -12.289 -32.714 21.888 0.00 0.00 WAT1 ATOM 2405 H1 TIP3 142 -12.139 -33.443 21.285 0.00 0.00 WAT1 ATOM 2406 H2 TIP3 142 -12.287 -31.937 21.329 0.00 0.00 WAT1 ATOM 2407 OH2 TIP3 143 -11.877 -34.344 19.380 0.00 0.00 WAT1 ATOM 2408 H1 TIP3 143 -11.341 -33.893 18.728 0.00 0.00 WAT1 ATOM 2409 H2 TIP3 143 -12.729 -34.452 18.958 0.00 0.00 WAT1 ATOM 2410 OH2 TIP3 144 -10.295 -28.905 19.620 0.00 0.00 WAT1 ATOM 2411 H1 TIP3 144 -9.544 -29.061 19.047 0.00 0.00 WAT1 ATOM 2412 H2 TIP3 144 -10.634 -28.053 19.344 0.00 0.00 WAT1 ATOM 2413 OH2 TIP3 145 -11.071 -36.888 19.812 0.00 0.00 WAT1 ATOM 2414 H1 TIP3 145 -11.169 -35.941 19.706 0.00 0.00 WAT1 ATOM 2415 H2 TIP3 145 -11.814 -37.260 19.336 0.00 0.00 WAT1 ATOM 2416 OH2 TIP3 146 -9.807 -32.566 23.375 0.00 0.00 WAT1 ATOM 2417 H1 TIP3 146 -10.043 -32.786 24.277 0.00 0.00 WAT1 ATOM 2418 H2 TIP3 146 -10.590 -32.773 22.866 0.00 0.00 WAT1 ATOM 2419 OH2 TIP3 147 -10.849 -37.594 22.483 0.00 0.00 WAT1 ATOM 2420 H1 TIP3 147 -10.137 -38.234 22.469 0.00 0.00 WAT1 ATOM 2421 H2 TIP3 147 -10.950 -37.327 21.569 0.00 0.00 WAT1 ATOM 2422 OH2 TIP3 148 -10.496 -35.911 24.537 0.00 0.00 WAT1 ATOM 2423 H1 TIP3 148 -10.627 -36.387 23.716 0.00 0.00 WAT1 ATOM 2424 H2 TIP3 148 -11.095 -35.167 24.481 0.00 0.00 WAT1 ATOM 2425 OH2 TIP3 149 -10.949 -19.028 7.713 0.00 0.00 WAT1 ATOM 2426 H1 TIP3 149 -10.016 -18.870 7.857 0.00 0.00 WAT1 ATOM 2427 H2 TIP3 149 -11.213 -18.353 7.088 0.00 0.00 WAT1 ATOM 2428 OH2 TIP3 150 -0.998 -26.495 10.132 0.00 0.00 WAT1 ATOM 2429 H1 TIP3 150 -0.148 -26.074 10.260 0.00 0.00 WAT1 ATOM 2430 H2 TIP3 150 -0.993 -27.235 10.740 0.00 0.00 WAT1 ATOM 2431 OH2 TIP3 151 -0.336 -28.541 8.347 0.00 0.00 WAT1 ATOM 2432 H1 TIP3 151 -0.857 -28.184 7.628 0.00 0.00 WAT1 ATOM 2433 H2 TIP3 151 -0.369 -27.866 9.025 0.00 0.00 WAT1 ATOM 2434 OH2 TIP3 152 -2.817 -29.921 12.519 0.00 0.00 WAT1 ATOM 2435 H1 TIP3 152 -2.967 -30.866 12.499 0.00 0.00 WAT1 ATOM 2436 H2 TIP3 152 -3.171 -29.640 13.363 0.00 0.00 WAT1 ATOM 2437 OH2 TIP3 153 -3.107 -32.338 10.981 0.00 0.00 WAT1 ATOM 2438 H1 TIP3 153 -2.827 -33.245 11.106 0.00 0.00 WAT1 ATOM 2439 H2 TIP3 153 -2.348 -31.904 10.592 0.00 0.00 WAT1 ATOM 2440 OH2 TIP3 154 -2.493 -35.075 11.030 0.00 0.00 WAT1 ATOM 2441 H1 TIP3 154 -2.311 -35.524 11.855 0.00 0.00 WAT1 ATOM 2442 H2 TIP3 154 -3.093 -35.660 10.566 0.00 0.00 WAT1 ATOM 2443 OH2 TIP3 155 -0.627 -35.008 7.558 0.00 0.00 WAT1 ATOM 2444 H1 TIP3 155 -0.214 -35.729 7.082 0.00 0.00 WAT1 ATOM 2445 H2 TIP3 155 0.055 -34.338 7.616 0.00 0.00 WAT1 ATOM 2446 OH2 TIP3 156 -13.236 -22.115 19.432 0.00 0.00 WAT1 ATOM 2447 H1 TIP3 156 -13.661 -21.306 19.149 0.00 0.00 WAT1 ATOM 2448 H2 TIP3 156 -12.331 -22.030 19.130 0.00 0.00 WAT1 ATOM 2449 OH2 TIP3 157 -15.834 -18.859 19.479 0.00 0.00 WAT1 ATOM 2450 H1 TIP3 157 -16.554 -18.419 19.028 0.00 0.00 WAT1 ATOM 2451 H2 TIP3 157 -16.200 -19.110 20.328 0.00 0.00 WAT1 ATOM 2452 OH2 TIP3 158 -13.367 -19.259 18.509 0.00 0.00 WAT1 ATOM 2453 H1 TIP3 158 -14.232 -19.187 18.913 0.00 0.00 WAT1 ATOM 2454 H2 TIP3 158 -13.422 -18.712 17.725 0.00 0.00 WAT1 ATOM 2455 OH2 TIP3 159 -14.278 -21.526 15.045 0.00 0.00 WAT1 ATOM 2456 H1 TIP3 159 -14.497 -22.442 15.214 0.00 0.00 WAT1 ATOM 2457 H2 TIP3 159 -13.454 -21.386 15.511 0.00 0.00 WAT1 ATOM 2458 OH2 TIP3 160 -11.741 -21.056 15.893 0.00 0.00 WAT1 ATOM 2459 H1 TIP3 160 -11.528 -21.944 15.606 0.00 0.00 WAT1 ATOM 2460 H2 TIP3 160 -11.676 -21.090 16.848 0.00 0.00 WAT1 ATOM 2461 OH2 TIP3 161 -8.232 -35.392 15.038 0.00 0.00 WAT1 ATOM 2462 H1 TIP3 161 -8.907 -36.021 15.293 0.00 0.00 WAT1 ATOM 2463 H2 TIP3 161 -7.668 -35.876 14.435 0.00 0.00 WAT1 ATOM 2464 OH2 TIP3 162 -11.326 -36.831 12.673 0.00 0.00 WAT1 ATOM 2465 H1 TIP3 162 -10.452 -36.443 12.643 0.00 0.00 WAT1 ATOM 2466 H2 TIP3 162 -11.462 -37.046 13.596 0.00 0.00 WAT1 ATOM 2467 OH2 TIP3 163 -5.769 -36.801 14.322 0.00 0.00 WAT1 ATOM 2468 H1 TIP3 163 -5.693 -36.706 13.373 0.00 0.00 WAT1 ATOM 2469 H2 TIP3 163 -6.045 -37.709 14.451 0.00 0.00 WAT1 ATOM 2470 OH2 TIP3 164 -4.416 -36.775 10.015 0.00 0.00 WAT1 ATOM 2471 H1 TIP3 164 -5.119 -36.161 9.805 0.00 0.00 WAT1 ATOM 2472 H2 TIP3 164 -4.861 -37.613 10.146 0.00 0.00 WAT1 ATOM 2473 OH2 TIP3 165 -8.304 -19.802 7.958 0.00 0.00 WAT1 ATOM 2474 H1 TIP3 165 -7.438 -19.436 7.780 0.00 0.00 WAT1 ATOM 2475 H2 TIP3 165 -8.551 -20.242 7.145 0.00 0.00 WAT1 ATOM 2476 OH2 TIP3 166 -1.595 -20.239 10.638 0.00 0.00 WAT1 ATOM 2477 H1 TIP3 166 -1.789 -20.987 10.073 0.00 0.00 WAT1 ATOM 2478 H2 TIP3 166 -1.634 -19.481 10.054 0.00 0.00 WAT1 ATOM 2479 OH2 TIP3 167 -7.077 -20.303 33.607 0.00 0.00 WAT1 ATOM 2480 H1 TIP3 167 -6.457 -20.980 33.334 0.00 0.00 WAT1 ATOM 2481 H2 TIP3 167 -7.285 -20.521 34.515 0.00 0.00 WAT1 ATOM 2482 OH2 TIP3 168 -9.505 -25.914 35.499 0.00 0.00 WAT1 ATOM 2483 H1 TIP3 168 -9.201 -26.600 34.905 0.00 0.00 WAT1 ATOM 2484 H2 TIP3 168 -8.783 -25.796 36.117 0.00 0.00 WAT1 ATOM 2485 OH2 TIP3 169 -13.209 -33.419 33.099 0.00 0.00 WAT1 ATOM 2486 H1 TIP3 169 -13.166 -32.559 32.681 0.00 0.00 WAT1 ATOM 2487 H2 TIP3 169 -13.667 -33.971 32.466 0.00 0.00 WAT1 ATOM 2488 OH2 TIP3 170 -11.433 -29.472 33.077 0.00 0.00 WAT1 ATOM 2489 H1 TIP3 170 -10.817 -29.998 33.586 0.00 0.00 WAT1 ATOM 2490 H2 TIP3 170 -12.019 -30.112 32.673 0.00 0.00 WAT1 ATOM 2491 OH2 TIP3 171 -3.676 -23.568 35.743 0.00 0.00 WAT1 ATOM 2492 H1 TIP3 171 -4.618 -23.510 35.904 0.00 0.00 WAT1 ATOM 2493 H2 TIP3 171 -3.400 -22.662 35.606 0.00 0.00 WAT1 ATOM 2494 OH2 TIP3 172 -10.373 -37.195 34.626 0.00 0.00 WAT1 ATOM 2495 H1 TIP3 172 -10.490 -38.144 34.572 0.00 0.00 WAT1 ATOM 2496 H2 TIP3 172 -11.228 -36.863 34.899 0.00 0.00 WAT1 ATOM 2497 OH2 TIP3 173 -2.579 -25.320 39.354 0.00 0.00 WAT1 ATOM 2498 H1 TIP3 173 -2.439 -25.911 38.615 0.00 0.00 WAT1 ATOM 2499 H2 TIP3 173 -2.411 -24.447 38.998 0.00 0.00 WAT1 ATOM 2500 OH2 TIP3 174 -4.803 -29.974 39.146 0.00 0.00 WAT1 ATOM 2501 H1 TIP3 174 -4.723 -29.211 39.718 0.00 0.00 WAT1 ATOM 2502 H2 TIP3 174 -5.404 -29.695 38.455 0.00 0.00 WAT1 ATOM 2503 OH2 TIP3 175 -13.055 -27.518 31.961 0.00 0.00 WAT1 ATOM 2504 H1 TIP3 175 -13.385 -27.888 31.142 0.00 0.00 WAT1 ATOM 2505 H2 TIP3 175 -12.467 -28.188 32.307 0.00 0.00 WAT1 ATOM 2506 OH2 TIP3 176 -11.688 -24.090 34.642 0.00 0.00 WAT1 ATOM 2507 H1 TIP3 176 -11.783 -24.668 33.885 0.00 0.00 WAT1 ATOM 2508 H2 TIP3 176 -10.959 -24.461 35.138 0.00 0.00 WAT1 ATOM 2509 OH2 TIP3 177 -12.688 -28.749 35.594 0.00 0.00 WAT1 ATOM 2510 H1 TIP3 177 -12.123 -28.628 34.831 0.00 0.00 WAT1 ATOM 2511 H2 TIP3 177 -12.369 -28.112 36.233 0.00 0.00 WAT1 ATOM 2512 OH2 TIP3 178 -6.379 -23.246 36.328 0.00 0.00 WAT1 ATOM 2513 H1 TIP3 178 -6.620 -22.584 36.976 0.00 0.00 WAT1 ATOM 2514 H2 TIP3 178 -6.577 -24.080 36.753 0.00 0.00 WAT1 ATOM 2515 OH2 TIP3 179 -8.103 -22.249 31.198 0.00 0.00 WAT1 ATOM 2516 H1 TIP3 179 -7.629 -21.954 31.976 0.00 0.00 WAT1 ATOM 2517 H2 TIP3 179 -8.666 -21.511 30.965 0.00 0.00 WAT1 ATOM 2518 OH2 TIP3 180 -0.024 -22.639 40.931 0.00 0.00 WAT1 ATOM 2519 H1 TIP3 180 -0.073 -23.594 40.894 0.00 0.00 WAT1 ATOM 2520 H2 TIP3 180 -0.850 -22.371 41.333 0.00 0.00 WAT1 ATOM 2521 OH2 TIP3 181 -8.631 -19.293 29.613 0.00 0.00 WAT1 ATOM 2522 H1 TIP3 181 -8.706 -19.414 28.667 0.00 0.00 WAT1 ATOM 2523 H2 TIP3 181 -8.598 -18.343 29.732 0.00 0.00 WAT1 ATOM 2524 OH2 TIP3 182 -5.529 -20.139 26.616 0.00 0.00 WAT1 ATOM 2525 H1 TIP3 182 -5.154 -20.883 26.145 0.00 0.00 WAT1 ATOM 2526 H2 TIP3 182 -5.525 -20.409 27.534 0.00 0.00 WAT1 ATOM 2527 OH2 TIP3 183 -5.860 -20.213 29.365 0.00 0.00 WAT1 ATOM 2528 H1 TIP3 183 -6.795 -20.113 29.544 0.00 0.00 WAT1 ATOM 2529 H2 TIP3 183 -5.580 -20.922 29.943 0.00 0.00 WAT1 ATOM 2530 OH2 TIP3 184 -2.872 -31.146 41.411 0.00 0.00 WAT1 ATOM 2531 H1 TIP3 184 -3.279 -30.665 40.691 0.00 0.00 WAT1 ATOM 2532 H2 TIP3 184 -2.831 -32.051 41.104 0.00 0.00 WAT1 ATOM 2533 OH2 TIP3 185 -8.441 -36.570 38.778 0.00 0.00 WAT1 ATOM 2534 H1 TIP3 185 -8.021 -36.985 39.531 0.00 0.00 WAT1 ATOM 2535 H2 TIP3 185 -9.374 -36.748 38.895 0.00 0.00 WAT1 ATOM 2536 OH2 TIP3 186 -5.115 -32.814 39.632 0.00 0.00 WAT1 ATOM 2537 H1 TIP3 186 -5.629 -32.940 40.429 0.00 0.00 WAT1 ATOM 2538 H2 TIP3 186 -5.270 -31.902 39.387 0.00 0.00 WAT1 ATOM 2539 OH2 TIP3 187 -8.779 -34.077 26.063 0.00 0.00 WAT1 ATOM 2540 H1 TIP3 187 -9.033 -34.058 26.986 0.00 0.00 WAT1 ATOM 2541 H2 TIP3 187 -9.036 -34.949 25.762 0.00 0.00 WAT1 ATOM 2542 OH2 TIP3 188 -13.016 -31.105 31.411 0.00 0.00 WAT1 ATOM 2543 H1 TIP3 188 -13.909 -31.446 31.352 0.00 0.00 WAT1 ATOM 2544 H2 TIP3 188 -12.565 -31.482 30.655 0.00 0.00 WAT1 ATOM 2545 OH2 TIP3 189 -11.897 -33.632 25.164 0.00 0.00 WAT1 ATOM 2546 H1 TIP3 189 -12.328 -34.077 25.894 0.00 0.00 WAT1 ATOM 2547 H2 TIP3 189 -12.615 -33.260 24.652 0.00 0.00 WAT1 ATOM 2548 OH2 TIP3 190 -7.212 -29.605 37.713 0.00 0.00 WAT1 ATOM 2549 H1 TIP3 190 -6.888 -30.236 37.070 0.00 0.00 WAT1 ATOM 2550 H2 TIP3 190 -7.652 -30.140 38.374 0.00 0.00 WAT1 ATOM 2551 OH2 TIP3 191 -10.434 -33.678 32.497 0.00 0.00 WAT1 ATOM 2552 H1 TIP3 191 -11.345 -33.621 32.786 0.00 0.00 WAT1 ATOM 2553 H2 TIP3 191 -9.929 -33.738 33.308 0.00 0.00 WAT1 ATOM 2554 OH2 TIP3 192 -11.953 -32.049 28.980 0.00 0.00 WAT1 ATOM 2555 H1 TIP3 192 -11.021 -31.920 29.158 0.00 0.00 WAT1 ATOM 2556 H2 TIP3 192 -12.168 -31.379 28.331 0.00 0.00 WAT1 ATOM 2557 OH2 TIP3 193 -9.114 -30.890 34.384 0.00 0.00 WAT1 ATOM 2558 H1 TIP3 193 -8.550 -31.437 33.837 0.00 0.00 WAT1 ATOM 2559 H2 TIP3 193 -9.262 -31.412 35.173 0.00 0.00 WAT1 ATOM 2560 OH2 TIP3 194 -10.488 -32.502 36.798 0.00 0.00 WAT1 ATOM 2561 H1 TIP3 194 -11.323 -32.048 36.908 0.00 0.00 WAT1 ATOM 2562 H2 TIP3 194 -9.964 -32.226 37.550 0.00 0.00 WAT1 ATOM 2563 OH2 TIP3 195 -9.944 -26.289 28.483 0.00 0.00 WAT1 ATOM 2564 H1 TIP3 195 -10.688 -26.796 28.160 0.00 0.00 WAT1 ATOM 2565 H2 TIP3 195 -10.078 -26.240 29.429 0.00 0.00 WAT1 ATOM 2566 OH2 TIP3 196 -7.818 -24.830 27.508 0.00 0.00 WAT1 ATOM 2567 H1 TIP3 196 -8.113 -24.004 27.890 0.00 0.00 WAT1 ATOM 2568 H2 TIP3 196 -8.521 -25.450 27.704 0.00 0.00 WAT1 ATOM 2569 OH2 TIP3 197 -0.479 -25.598 40.874 0.00 0.00 WAT1 ATOM 2570 H1 TIP3 197 -1.331 -25.360 40.507 0.00 0.00 WAT1 ATOM 2571 H2 TIP3 197 0.111 -25.615 40.121 0.00 0.00 WAT1 ATOM 2572 OH2 TIP3 198 -12.444 -23.476 31.657 0.00 0.00 WAT1 ATOM 2573 H1 TIP3 198 -11.917 -22.703 31.456 0.00 0.00 WAT1 ATOM 2574 H2 TIP3 198 -13.324 -23.251 31.355 0.00 0.00 WAT1 ATOM 2575 OH2 TIP3 199 -11.017 -25.813 31.233 0.00 0.00 WAT1 ATOM 2576 H1 TIP3 199 -11.258 -24.888 31.275 0.00 0.00 WAT1 ATOM 2577 H2 TIP3 199 -11.757 -26.272 31.629 0.00 0.00 WAT1 ATOM 2578 OH2 TIP3 200 -6.958 -25.565 37.249 0.00 0.00 WAT1 ATOM 2579 H1 TIP3 200 -7.384 -25.792 38.075 0.00 0.00 WAT1 ATOM 2580 H2 TIP3 200 -6.377 -26.303 37.066 0.00 0.00 WAT1 ATOM 2581 OH2 TIP3 201 -10.664 -23.524 24.770 0.00 0.00 WAT1 ATOM 2582 H1 TIP3 201 -10.425 -24.272 24.222 0.00 0.00 WAT1 ATOM 2583 H2 TIP3 201 -10.933 -23.912 25.602 0.00 0.00 WAT1 ATOM 2584 OH2 TIP3 202 -11.727 -23.954 27.226 0.00 0.00 WAT1 ATOM 2585 H1 TIP3 202 -11.580 -24.474 28.016 0.00 0.00 WAT1 ATOM 2586 H2 TIP3 202 -11.730 -23.047 27.532 0.00 0.00 WAT1 ATOM 2587 OH2 TIP3 203 -7.442 -34.039 38.015 0.00 0.00 WAT1 ATOM 2588 H1 TIP3 203 -6.744 -33.965 38.665 0.00 0.00 WAT1 ATOM 2589 H2 TIP3 203 -7.823 -34.903 38.170 0.00 0.00 WAT1 ATOM 2590 OH2 TIP3 204 -6.658 -34.387 29.112 0.00 0.00 WAT1 ATOM 2591 H1 TIP3 204 -6.438 -33.915 28.309 0.00 0.00 WAT1 ATOM 2592 H2 TIP3 204 -6.100 -33.992 29.783 0.00 0.00 WAT1 ATOM 2593 OH2 TIP3 205 -8.989 -22.256 27.975 0.00 0.00 WAT1 ATOM 2594 H1 TIP3 205 -9.806 -21.759 28.028 0.00 0.00 WAT1 ATOM 2595 H2 TIP3 205 -8.460 -21.781 27.335 0.00 0.00 WAT1 ATOM 2596 OH2 TIP3 206 -9.458 -32.659 29.947 0.00 0.00 WAT1 ATOM 2597 H1 TIP3 206 -8.646 -32.155 29.993 0.00 0.00 WAT1 ATOM 2598 H2 TIP3 206 -9.703 -32.804 30.861 0.00 0.00 WAT1 ATOM 2599 OH2 TIP3 207 -8.922 -31.673 39.132 0.00 0.00 WAT1 ATOM 2600 H1 TIP3 207 -8.803 -31.099 39.889 0.00 0.00 WAT1 ATOM 2601 H2 TIP3 207 -8.267 -32.361 39.247 0.00 0.00 WAT1 ATOM 2602 OH2 TIP3 208 -8.574 -35.578 30.885 0.00 0.00 WAT1 ATOM 2603 H1 TIP3 208 -8.921 -34.960 31.530 0.00 0.00 WAT1 ATOM 2604 H2 TIP3 208 -7.916 -35.077 30.404 0.00 0.00 WAT1 ATOM 2605 OH2 TIP3 209 -3.029 -20.759 35.685 0.00 0.00 WAT1 ATOM 2606 H1 TIP3 209 -3.185 -20.081 35.028 0.00 0.00 WAT1 ATOM 2607 H2 TIP3 209 -2.097 -20.687 35.888 0.00 0.00 WAT1 ATOM 2608 OH2 TIP3 210 -8.626 -21.661 24.908 0.00 0.00 WAT1 ATOM 2609 H1 TIP3 210 -9.270 -22.292 25.230 0.00 0.00 WAT1 ATOM 2610 H2 TIP3 210 -7.864 -22.192 24.676 0.00 0.00 WAT1 ATOM 2611 OH2 TIP3 211 -13.067 -25.934 24.999 0.00 0.00 WAT1 ATOM 2612 H1 TIP3 211 -13.003 -26.728 25.530 0.00 0.00 WAT1 ATOM 2613 H2 TIP3 211 -12.414 -26.053 24.310 0.00 0.00 WAT1 ATOM 2614 OH2 TIP3 212 -7.715 -24.887 24.735 0.00 0.00 WAT1 ATOM 2615 H1 TIP3 212 -7.983 -24.707 25.636 0.00 0.00 WAT1 ATOM 2616 H2 TIP3 212 -7.921 -25.813 24.604 0.00 0.00 WAT1 ATOM 2617 OH2 TIP3 213 -5.018 -26.392 39.683 0.00 0.00 WAT1 ATOM 2618 H1 TIP3 213 -4.273 -25.804 39.563 0.00 0.00 WAT1 ATOM 2619 H2 TIP3 213 -5.775 -25.810 39.746 0.00 0.00 WAT1 ATOM 2620 OH2 TIP3 214 -11.918 -27.962 27.305 0.00 0.00 WAT1 ATOM 2621 H1 TIP3 214 -12.377 -28.446 27.991 0.00 0.00 WAT1 ATOM 2622 H2 TIP3 214 -11.663 -28.630 26.669 0.00 0.00 WAT1 ATOM 2623 OH2 TIP3 215 -10.847 -29.719 25.568 0.00 0.00 WAT1 ATOM 2624 H1 TIP3 215 -11.027 -29.873 24.640 0.00 0.00 WAT1 ATOM 2625 H2 TIP3 215 -9.896 -29.611 25.612 0.00 0.00 WAT1 ATOM 2626 OH2 TIP3 216 -10.295 -28.905 38.476 0.00 0.00 WAT1 ATOM 2627 H1 TIP3 216 -9.544 -29.061 37.903 0.00 0.00 WAT1 ATOM 2628 H2 TIP3 216 -10.634 -28.053 38.200 0.00 0.00 WAT1 ATOM 2629 OH2 TIP3 217 -4.563 -28.301 41.582 0.00 0.00 WAT1 ATOM 2630 H1 TIP3 217 -4.844 -27.592 41.004 0.00 0.00 WAT1 ATOM 2631 H2 TIP3 217 -3.620 -28.374 41.431 0.00 0.00 WAT1 ATOM 2632 OH2 TIP3 218 -11.071 -36.888 38.668 0.00 0.00 WAT1 ATOM 2633 H1 TIP3 218 -11.169 -35.941 38.562 0.00 0.00 WAT1 ATOM 2634 H2 TIP3 218 -11.814 -37.260 38.192 0.00 0.00 WAT1 ATOM 2635 OH2 TIP3 219 -7.091 -33.439 41.307 0.00 0.00 WAT1 ATOM 2636 H1 TIP3 219 -8.039 -33.407 41.439 0.00 0.00 WAT1 ATOM 2637 H2 TIP3 219 -6.779 -34.064 41.961 0.00 0.00 WAT1 ATOM 2638 OH2 TIP3 220 -5.457 -34.805 43.312 0.00 0.00 WAT1 ATOM 2639 H1 TIP3 220 -5.554 -35.757 43.306 0.00 0.00 WAT1 ATOM 2640 H2 TIP3 220 -5.779 -34.536 44.173 0.00 0.00 WAT1 ATOM 2641 OH2 TIP3 221 -10.949 -19.028 26.569 0.00 0.00 WAT1 ATOM 2642 H1 TIP3 221 -10.016 -18.870 26.713 0.00 0.00 WAT1 ATOM 2643 H2 TIP3 221 -11.213 -18.353 25.944 0.00 0.00 WAT1 ATOM 2644 OH2 TIP3 222 -0.313 -20.109 35.914 0.00 0.00 WAT1 ATOM 2645 H1 TIP3 222 -0.335 -19.924 36.853 0.00 0.00 WAT1 ATOM 2646 H2 TIP3 222 0.377 -19.540 35.573 0.00 0.00 WAT1 ATOM 2647 OH2 TIP3 223 -0.750 -20.542 38.836 0.00 0.00 WAT1 ATOM 2648 H1 TIP3 223 -1.237 -21.277 38.465 0.00 0.00 WAT1 ATOM 2649 H2 TIP3 223 -0.201 -20.935 39.514 0.00 0.00 WAT1 ATOM 2650 OH2 TIP3 224 -2.358 -22.779 38.067 0.00 0.00 WAT1 ATOM 2651 H1 TIP3 224 -3.006 -22.454 38.692 0.00 0.00 WAT1 ATOM 2652 H2 TIP3 224 -2.876 -23.219 37.392 0.00 0.00 WAT1 ATOM 2653 OH2 TIP3 225 -1.961 -27.951 41.014 0.00 0.00 WAT1 ATOM 2654 H1 TIP3 225 -1.378 -28.685 41.205 0.00 0.00 WAT1 ATOM 2655 H2 TIP3 225 -1.397 -27.179 41.060 0.00 0.00 WAT1 ATOM 2656 OH2 TIP3 226 -0.464 -30.048 41.698 0.00 0.00 WAT1 ATOM 2657 H1 TIP3 226 -1.327 -30.427 41.533 0.00 0.00 WAT1 ATOM 2658 H2 TIP3 226 0.140 -30.787 41.624 0.00 0.00 WAT1 ATOM 2659 OH2 TIP3 227 -0.183 -37.040 43.403 0.00 0.00 WAT1 ATOM 2660 H1 TIP3 227 0.167 -37.694 42.797 0.00 0.00 WAT1 ATOM 2661 H2 TIP3 227 -0.036 -36.203 42.963 0.00 0.00 WAT1 ATOM 2662 OH2 TIP3 228 -6.329 -20.493 37.486 0.00 0.00 WAT1 ATOM 2663 H1 TIP3 228 -7.233 -20.328 37.220 0.00 0.00 WAT1 ATOM 2664 H2 TIP3 228 -5.900 -19.640 37.420 0.00 0.00 WAT1 ATOM 2665 OH2 TIP3 229 -3.724 -18.923 37.781 0.00 0.00 WAT1 ATOM 2666 H1 TIP3 229 -3.906 -18.007 37.570 0.00 0.00 WAT1 ATOM 2667 H2 TIP3 229 -3.548 -19.333 36.934 0.00 0.00 WAT1 ATOM 2668 OH2 TIP3 230 -8.232 -35.392 33.894 0.00 0.00 WAT1 ATOM 2669 H1 TIP3 230 -8.907 -36.021 34.149 0.00 0.00 WAT1 ATOM 2670 H2 TIP3 230 -7.668 -35.876 33.291 0.00 0.00 WAT1 ATOM 2671 OH2 TIP3 231 -11.326 -36.831 31.529 0.00 0.00 WAT1 ATOM 2672 H1 TIP3 231 -10.452 -36.443 31.499 0.00 0.00 WAT1 ATOM 2673 H2 TIP3 231 -11.462 -37.046 32.452 0.00 0.00 WAT1 ATOM 2674 OH2 TIP3 232 -5.769 -36.801 33.178 0.00 0.00 WAT1 ATOM 2675 H1 TIP3 232 -5.693 -36.706 32.229 0.00 0.00 WAT1 ATOM 2676 H2 TIP3 232 -6.045 -37.709 33.307 0.00 0.00 WAT1 ATOM 2677 OH2 TIP3 233 -10.182 -34.751 28.419 0.00 0.00 WAT1 ATOM 2678 H1 TIP3 233 -10.004 -35.397 29.102 0.00 0.00 WAT1 ATOM 2679 H2 TIP3 233 -10.236 -33.917 28.886 0.00 0.00 WAT1 ATOM 2680 OH2 TIP3 234 -8.304 -19.802 26.814 0.00 0.00 WAT1 ATOM 2681 H1 TIP3 234 -7.438 -19.436 26.636 0.00 0.00 WAT1 ATOM 2682 H2 TIP3 234 -8.551 -20.242 26.001 0.00 0.00 WAT1 ATOM 2683 OH2 TIP3 235 -5.553 -37.561 42.951 0.00 0.00 WAT1 ATOM 2684 H1 TIP3 235 -5.477 -37.987 43.805 0.00 0.00 WAT1 ATOM 2685 H2 TIP3 235 -4.660 -37.547 42.609 0.00 0.00 WAT1 ATOM 2686 OH2 TIP3 236 -1.987 -31.301 44.610 0.00 0.00 WAT1 ATOM 2687 H1 TIP3 236 -1.890 -30.634 43.930 0.00 0.00 WAT1 ATOM 2688 H2 TIP3 236 -2.127 -32.117 44.128 0.00 0.00 WAT1 ATOM 2689 OH2 TIP3 237 -2.739 -33.893 43.727 0.00 0.00 WAT1 ATOM 2690 H1 TIP3 237 -2.129 -34.265 44.364 0.00 0.00 WAT1 ATOM 2691 H2 TIP3 237 -3.576 -34.315 43.923 0.00 0.00 WAT1 ATOM 2692 OH2 TIP3 238 -0.627 -35.008 45.270 0.00 0.00 WAT1 ATOM 2693 H1 TIP3 238 -0.214 -35.729 44.794 0.00 0.00 WAT1 ATOM 2694 H2 TIP3 238 0.055 -34.338 45.328 0.00 0.00 WAT1 ATOM 2695 OH2 TIP3 239 -0.842 -15.457 -1.352 0.00 0.00 WAT1 ATOM 2696 H1 TIP3 239 -0.793 -14.847 -0.616 0.00 0.00 WAT1 ATOM 2697 H2 TIP3 239 -0.416 -14.996 -2.075 0.00 0.00 WAT1 ATOM 2698 OH2 TIP3 240 -0.450 -13.979 0.884 0.00 0.00 WAT1 ATOM 2699 H1 TIP3 240 -1.139 -13.321 0.789 0.00 0.00 WAT1 ATOM 2700 H2 TIP3 240 -0.435 -14.176 1.821 0.00 0.00 WAT1 ATOM 2701 OH2 TIP3 241 -3.376 -16.426 -0.552 0.00 0.00 WAT1 ATOM 2702 H1 TIP3 241 -4.112 -15.815 -0.590 0.00 0.00 WAT1 ATOM 2703 H2 TIP3 241 -2.692 -16.011 -1.078 0.00 0.00 WAT1 ATOM 2704 OH2 TIP3 242 -2.718 -14.910 2.255 0.00 0.00 WAT1 ATOM 2705 H1 TIP3 242 -3.634 -14.647 2.167 0.00 0.00 WAT1 ATOM 2706 H2 TIP3 242 -2.382 -14.913 1.358 0.00 0.00 WAT1 ATOM 2707 OH2 TIP3 243 -0.183 -18.184 5.691 0.00 0.00 WAT1 ATOM 2708 H1 TIP3 243 0.167 -18.838 5.085 0.00 0.00 WAT1 ATOM 2709 H2 TIP3 243 -0.036 -17.347 5.251 0.00 0.00 WAT1 ATOM 2710 OH2 TIP3 244 -0.663 -16.075 4.040 0.00 0.00 WAT1 ATOM 2711 H1 TIP3 244 -1.580 -15.804 4.004 0.00 0.00 WAT1 ATOM 2712 H2 TIP3 244 -0.540 -16.610 3.256 0.00 0.00 WAT1 ATOM 2713 OH2 TIP3 245 -3.090 -18.429 -3.706 0.00 0.00 WAT1 ATOM 2714 H1 TIP3 245 -2.486 -17.881 -4.207 0.00 0.00 WAT1 ATOM 2715 H2 TIP3 245 -3.959 -18.109 -3.946 0.00 0.00 WAT1 ATOM 2716 OH2 TIP3 246 -1.363 -17.290 -5.372 0.00 0.00 WAT1 ATOM 2717 H1 TIP3 246 -0.751 -17.804 -5.899 0.00 0.00 WAT1 ATOM 2718 H2 TIP3 246 -0.980 -16.412 -5.349 0.00 0.00 WAT1 ATOM 2719 OH2 TIP3 247 -5.553 -18.705 5.239 0.00 0.00 WAT1 ATOM 2720 H1 TIP3 247 -5.477 -19.131 6.093 0.00 0.00 WAT1 ATOM 2721 H2 TIP3 247 -4.660 -18.691 4.897 0.00 0.00 WAT1 ATOM 2722 OH2 TIP3 248 -0.842 -15.457 17.504 0.00 0.00 WAT1 ATOM 2723 H1 TIP3 248 -0.793 -14.847 18.240 0.00 0.00 WAT1 ATOM 2724 H2 TIP3 248 -0.416 -14.996 16.781 0.00 0.00 WAT1 ATOM 2725 OH2 TIP3 249 -6.364 -12.664 16.971 0.00 0.00 WAT1 ATOM 2726 H1 TIP3 249 -6.221 -13.611 16.991 0.00 0.00 WAT1 ATOM 2727 H2 TIP3 249 -6.470 -12.457 16.042 0.00 0.00 WAT1 ATOM 2728 OH2 TIP3 250 -5.487 -14.432 12.644 0.00 0.00 WAT1 ATOM 2729 H1 TIP3 250 -4.841 -14.761 13.269 0.00 0.00 WAT1 ATOM 2730 H2 TIP3 250 -4.977 -13.914 12.021 0.00 0.00 WAT1 ATOM 2731 OH2 TIP3 251 -0.450 -13.979 19.740 0.00 0.00 WAT1 ATOM 2732 H1 TIP3 251 -1.139 -13.321 19.645 0.00 0.00 WAT1 ATOM 2733 H2 TIP3 251 -0.435 -14.176 20.677 0.00 0.00 WAT1 ATOM 2734 OH2 TIP3 252 -3.723 -15.141 14.625 0.00 0.00 WAT1 ATOM 2735 H1 TIP3 252 -3.938 -15.907 15.157 0.00 0.00 WAT1 ATOM 2736 H2 TIP3 252 -3.067 -14.669 15.138 0.00 0.00 WAT1 ATOM 2737 OH2 TIP3 253 -10.373 -18.339 15.770 0.00 0.00 WAT1 ATOM 2738 H1 TIP3 253 -10.490 -19.288 15.716 0.00 0.00 WAT1 ATOM 2739 H2 TIP3 253 -11.228 -18.007 16.043 0.00 0.00 WAT1 ATOM 2740 OH2 TIP3 254 -0.737 -10.124 18.564 0.00 0.00 WAT1 ATOM 2741 H1 TIP3 254 -1.389 -9.429 18.653 0.00 0.00 WAT1 ATOM 2742 H2 TIP3 254 -0.272 -9.914 17.754 0.00 0.00 WAT1 ATOM 2743 OH2 TIP3 255 -4.803 -11.118 20.290 0.00 0.00 WAT1 ATOM 2744 H1 TIP3 255 -4.723 -10.355 20.862 0.00 0.00 WAT1 ATOM 2745 H2 TIP3 255 -5.404 -10.839 19.599 0.00 0.00 WAT1 ATOM 2746 OH2 TIP3 256 -2.131 -18.380 8.720 0.00 0.00 WAT1 ATOM 2747 H1 TIP3 256 -3.030 -18.241 9.015 0.00 0.00 WAT1 ATOM 2748 H2 TIP3 256 -1.879 -17.549 8.318 0.00 0.00 WAT1 ATOM 2749 OH2 TIP3 257 -13.104 -17.436 16.548 0.00 0.00 WAT1 ATOM 2750 H1 TIP3 257 -13.965 -17.523 16.140 0.00 0.00 WAT1 ATOM 2751 H2 TIP3 257 -13.126 -16.580 16.975 0.00 0.00 WAT1 ATOM 2752 OH2 TIP3 258 -8.378 -11.658 22.860 0.00 0.00 WAT1 ATOM 2753 H1 TIP3 258 -8.941 -12.362 23.180 0.00 0.00 WAT1 ATOM 2754 H2 TIP3 258 -7.552 -11.778 23.327 0.00 0.00 WAT1 ATOM 2755 OH2 TIP3 259 -7.212 -10.749 18.857 0.00 0.00 WAT1 ATOM 2756 H1 TIP3 259 -6.888 -11.380 18.214 0.00 0.00 WAT1 ATOM 2757 H2 TIP3 259 -7.652 -11.284 19.518 0.00 0.00 WAT1 ATOM 2758 OH2 TIP3 260 -10.434 -14.822 13.641 0.00 0.00 WAT1 ATOM 2759 H1 TIP3 260 -11.345 -14.765 13.930 0.00 0.00 WAT1 ATOM 2760 H2 TIP3 260 -9.929 -14.882 14.452 0.00 0.00 WAT1 ATOM 2761 OH2 TIP3 261 -10.488 -13.646 17.942 0.00 0.00 WAT1 ATOM 2762 H1 TIP3 261 -11.323 -13.192 18.052 0.00 0.00 WAT1 ATOM 2763 H2 TIP3 261 -9.964 -13.370 18.694 0.00 0.00 WAT1 ATOM 2764 OH2 TIP3 262 -0.443 -12.542 9.181 0.00 0.00 WAT1 ATOM 2765 H1 TIP3 262 -0.997 -12.938 8.509 0.00 0.00 WAT1 ATOM 2766 H2 TIP3 262 -0.342 -11.632 8.904 0.00 0.00 WAT1 ATOM 2767 OH2 TIP3 263 -6.658 -15.531 10.256 0.00 0.00 WAT1 ATOM 2768 H1 TIP3 263 -6.438 -15.059 9.453 0.00 0.00 WAT1 ATOM 2769 H2 TIP3 263 -6.100 -15.136 10.927 0.00 0.00 WAT1 ATOM 2770 OH2 TIP3 264 -8.922 -12.817 20.276 0.00 0.00 WAT1 ATOM 2771 H1 TIP3 264 -8.803 -12.243 21.033 0.00 0.00 WAT1 ATOM 2772 H2 TIP3 264 -8.267 -13.505 20.391 0.00 0.00 WAT1 ATOM 2773 OH2 TIP3 265 -8.574 -16.722 12.029 0.00 0.00 WAT1 ATOM 2774 H1 TIP3 265 -8.921 -16.104 12.674 0.00 0.00 WAT1 ATOM 2775 H2 TIP3 265 -7.916 -16.221 11.548 0.00 0.00 WAT1 ATOM 2776 OH2 TIP3 266 -4.116 -11.159 15.207 0.00 0.00 WAT1 ATOM 2777 H1 TIP3 266 -4.913 -11.574 14.878 0.00 0.00 WAT1 ATOM 2778 H2 TIP3 266 -3.671 -11.850 15.698 0.00 0.00 WAT1 ATOM 2779 OH2 TIP3 267 -7.609 -8.742 24.083 0.00 0.00 WAT1 ATOM 2780 H1 TIP3 267 -6.656 -8.658 24.055 0.00 0.00 WAT1 ATOM 2781 H2 TIP3 267 -7.769 -9.453 24.702 0.00 0.00 WAT1 ATOM 2782 OH2 TIP3 268 -12.289 -13.858 21.888 0.00 0.00 WAT1 ATOM 2783 H1 TIP3 268 -12.139 -14.587 21.285 0.00 0.00 WAT1 ATOM 2784 H2 TIP3 268 -12.287 -13.081 21.329 0.00 0.00 WAT1 ATOM 2785 OH2 TIP3 269 -11.877 -15.488 19.380 0.00 0.00 WAT1 ATOM 2786 H1 TIP3 269 -11.341 -15.037 18.728 0.00 0.00 WAT1 ATOM 2787 H2 TIP3 269 -12.729 -15.596 18.958 0.00 0.00 WAT1 ATOM 2788 OH2 TIP3 270 -5.879 -12.234 24.648 0.00 0.00 WAT1 ATOM 2789 H1 TIP3 270 -5.687 -13.165 24.537 0.00 0.00 WAT1 ATOM 2790 H2 TIP3 270 -5.022 -11.809 24.638 0.00 0.00 WAT1 ATOM 2791 OH2 TIP3 271 -4.563 -9.445 22.726 0.00 0.00 WAT1 ATOM 2792 H1 TIP3 271 -4.844 -8.736 22.148 0.00 0.00 WAT1 ATOM 2793 H2 TIP3 271 -3.620 -9.518 22.575 0.00 0.00 WAT1 ATOM 2794 OH2 TIP3 272 -11.071 -18.032 19.812 0.00 0.00 WAT1 ATOM 2795 H1 TIP3 272 -11.169 -17.085 19.706 0.00 0.00 WAT1 ATOM 2796 H2 TIP3 272 -11.814 -18.404 19.336 0.00 0.00 WAT1 ATOM 2797 OH2 TIP3 273 -9.807 -13.710 23.375 0.00 0.00 WAT1 ATOM 2798 H1 TIP3 273 -10.043 -13.930 24.277 0.00 0.00 WAT1 ATOM 2799 H2 TIP3 273 -10.590 -13.917 22.866 0.00 0.00 WAT1 ATOM 2800 OH2 TIP3 274 -10.496 -17.055 24.537 0.00 0.00 WAT1 ATOM 2801 H1 TIP3 274 -10.627 -17.531 23.716 0.00 0.00 WAT1 ATOM 2802 H2 TIP3 274 -11.095 -16.311 24.481 0.00 0.00 WAT1 ATOM 2803 OH2 TIP3 275 -1.961 -9.095 22.158 0.00 0.00 WAT1 ATOM 2804 H1 TIP3 275 -1.378 -9.829 22.349 0.00 0.00 WAT1 ATOM 2805 H2 TIP3 275 -1.397 -8.323 22.204 0.00 0.00 WAT1 ATOM 2806 OH2 TIP3 276 -0.464 -11.192 22.842 0.00 0.00 WAT1 ATOM 2807 H1 TIP3 276 -1.327 -11.571 22.677 0.00 0.00 WAT1 ATOM 2808 H2 TIP3 276 0.140 -11.931 22.768 0.00 0.00 WAT1 ATOM 2809 OH2 TIP3 277 -2.739 -15.037 6.015 0.00 0.00 WAT1 ATOM 2810 H1 TIP3 277 -2.129 -15.409 6.652 0.00 0.00 WAT1 ATOM 2811 H2 TIP3 277 -3.576 -15.459 6.211 0.00 0.00 WAT1 ATOM 2812 OH2 TIP3 278 -3.107 -13.482 10.981 0.00 0.00 WAT1 ATOM 2813 H1 TIP3 278 -2.827 -14.389 11.106 0.00 0.00 WAT1 ATOM 2814 H2 TIP3 278 -2.348 -13.048 10.592 0.00 0.00 WAT1 ATOM 2815 OH2 TIP3 279 -2.495 -12.901 16.417 0.00 0.00 WAT1 ATOM 2816 H1 TIP3 279 -1.562 -12.689 16.383 0.00 0.00 WAT1 ATOM 2817 H2 TIP3 279 -2.730 -12.799 17.340 0.00 0.00 WAT1 ATOM 2818 OH2 TIP3 280 -2.466 -12.164 19.193 0.00 0.00 WAT1 ATOM 2819 H1 TIP3 280 -3.309 -11.896 19.559 0.00 0.00 WAT1 ATOM 2820 H2 TIP3 280 -2.023 -11.342 18.982 0.00 0.00 WAT1 ATOM 2821 OH2 TIP3 281 -2.493 -16.219 11.030 0.00 0.00 WAT1 ATOM 2822 H1 TIP3 281 -2.311 -16.668 11.855 0.00 0.00 WAT1 ATOM 2823 H2 TIP3 281 -3.093 -16.804 10.566 0.00 0.00 WAT1 ATOM 2824 OH2 TIP3 282 -0.627 -16.152 7.558 0.00 0.00 WAT1 ATOM 2825 H1 TIP3 282 -0.214 -16.873 7.082 0.00 0.00 WAT1 ATOM 2826 H2 TIP3 282 0.055 -15.482 7.616 0.00 0.00 WAT1 ATOM 2827 OH2 TIP3 283 -8.232 -16.536 15.038 0.00 0.00 WAT1 ATOM 2828 H1 TIP3 283 -8.907 -17.165 15.293 0.00 0.00 WAT1 ATOM 2829 H2 TIP3 283 -7.668 -17.020 14.435 0.00 0.00 WAT1 ATOM 2830 OH2 TIP3 284 -1.363 -17.290 13.484 0.00 0.00 WAT1 ATOM 2831 H1 TIP3 284 -0.751 -17.804 12.957 0.00 0.00 WAT1 ATOM 2832 H2 TIP3 284 -0.980 -16.412 13.507 0.00 0.00 WAT1 ATOM 2833 OH2 TIP3 285 -11.326 -17.975 12.673 0.00 0.00 WAT1 ATOM 2834 H1 TIP3 285 -10.452 -17.587 12.643 0.00 0.00 WAT1 ATOM 2835 H2 TIP3 285 -11.462 -18.190 13.596 0.00 0.00 WAT1 ATOM 2836 OH2 TIP3 286 -4.416 -17.919 10.015 0.00 0.00 WAT1 ATOM 2837 H1 TIP3 286 -5.119 -17.305 9.805 0.00 0.00 WAT1 ATOM 2838 H2 TIP3 286 -4.861 -18.757 10.146 0.00 0.00 WAT1 ATOM 2839 OH2 TIP3 287 -13.975 -18.037 23.913 0.00 0.00 WAT1 ATOM 2840 H1 TIP3 287 -13.076 -18.311 23.728 0.00 0.00 WAT1 ATOM 2841 H2 TIP3 287 -14.361 -18.780 24.377 0.00 0.00 WAT1 ATOM 2842 OH2 TIP3 288 -0.842 -15.457 36.360 0.00 0.00 WAT1 ATOM 2843 H1 TIP3 288 -0.793 -14.847 37.096 0.00 0.00 WAT1 ATOM 2844 H2 TIP3 288 -0.416 -14.996 35.637 0.00 0.00 WAT1 ATOM 2845 OH2 TIP3 289 -5.487 -14.432 31.500 0.00 0.00 WAT1 ATOM 2846 H1 TIP3 289 -4.841 -14.761 32.125 0.00 0.00 WAT1 ATOM 2847 H2 TIP3 289 -4.977 -13.914 30.877 0.00 0.00 WAT1 ATOM 2848 OH2 TIP3 290 -0.450 -13.979 38.596 0.00 0.00 WAT1 ATOM 2849 H1 TIP3 290 -1.139 -13.321 38.501 0.00 0.00 WAT1 ATOM 2850 H2 TIP3 290 -0.435 -14.176 39.533 0.00 0.00 WAT1 ATOM 2851 OH2 TIP3 291 -3.723 -15.141 33.481 0.00 0.00 WAT1 ATOM 2852 H1 TIP3 291 -3.938 -15.907 34.013 0.00 0.00 WAT1 ATOM 2853 H2 TIP3 291 -3.067 -14.669 33.994 0.00 0.00 WAT1 ATOM 2854 OH2 TIP3 292 -3.376 -16.426 37.160 0.00 0.00 WAT1 ATOM 2855 H1 TIP3 292 -4.112 -15.815 37.122 0.00 0.00 WAT1 ATOM 2856 H2 TIP3 292 -2.692 -16.011 36.634 0.00 0.00 WAT1 ATOM 2857 OH2 TIP3 293 -8.052 -11.044 26.165 0.00 0.00 WAT1 ATOM 2858 H1 TIP3 293 -7.351 -11.022 26.816 0.00 0.00 WAT1 ATOM 2859 H2 TIP3 293 -7.750 -11.672 25.509 0.00 0.00 WAT1 ATOM 2860 OH2 TIP3 294 -5.829 -10.130 27.763 0.00 0.00 WAT1 ATOM 2861 H1 TIP3 294 -5.250 -9.980 28.510 0.00 0.00 WAT1 ATOM 2862 H2 TIP3 294 -5.415 -9.659 27.040 0.00 0.00 WAT1 ATOM 2863 OH2 TIP3 295 -2.131 -18.380 27.576 0.00 0.00 WAT1 ATOM 2864 H1 TIP3 295 -3.030 -18.241 27.871 0.00 0.00 WAT1 ATOM 2865 H2 TIP3 295 -1.879 -17.549 27.174 0.00 0.00 WAT1 ATOM 2866 OH2 TIP3 296 -4.352 -9.097 25.393 0.00 0.00 WAT1 ATOM 2867 H1 TIP3 296 -4.310 -9.320 24.463 0.00 0.00 WAT1 ATOM 2868 H2 TIP3 296 -3.503 -8.699 25.583 0.00 0.00 WAT1 ATOM 2869 OH2 TIP3 297 -8.779 -15.221 26.063 0.00 0.00 WAT1 ATOM 2870 H1 TIP3 297 -9.033 -15.202 26.986 0.00 0.00 WAT1 ATOM 2871 H2 TIP3 297 -9.036 -16.093 25.762 0.00 0.00 WAT1 ATOM 2872 OH2 TIP3 298 -11.897 -14.776 25.164 0.00 0.00 WAT1 ATOM 2873 H1 TIP3 298 -12.328 -15.221 25.894 0.00 0.00 WAT1 ATOM 2874 H2 TIP3 298 -12.615 -14.404 24.652 0.00 0.00 WAT1 ATOM 2875 OH2 TIP3 299 -6.029 -15.587 35.761 0.00 0.00 WAT1 ATOM 2876 H1 TIP3 299 -6.706 -15.456 36.425 0.00 0.00 WAT1 ATOM 2877 H2 TIP3 299 -6.515 -15.742 34.951 0.00 0.00 WAT1 ATOM 2878 OH2 TIP3 300 -5.328 -12.752 28.343 0.00 0.00 WAT1 ATOM 2879 H1 TIP3 300 -4.436 -12.889 28.662 0.00 0.00 WAT1 ATOM 2880 H2 TIP3 300 -5.271 -11.961 27.806 0.00 0.00 WAT1 ATOM 2881 OH2 TIP3 301 -0.443 -12.542 28.037 0.00 0.00 WAT1 ATOM 2882 H1 TIP3 301 -0.997 -12.938 27.365 0.00 0.00 WAT1 ATOM 2883 H2 TIP3 301 -0.342 -11.632 27.760 0.00 0.00 WAT1 ATOM 2884 OH2 TIP3 302 -6.658 -15.531 29.112 0.00 0.00 WAT1 ATOM 2885 H1 TIP3 302 -6.438 -15.059 28.309 0.00 0.00 WAT1 ATOM 2886 H2 TIP3 302 -6.100 -15.136 29.783 0.00 0.00 WAT1 ATOM 2887 OH2 TIP3 303 -0.336 -9.685 27.203 0.00 0.00 WAT1 ATOM 2888 H1 TIP3 303 -0.857 -9.328 26.484 0.00 0.00 WAT1 ATOM 2889 H2 TIP3 303 -0.369 -9.010 27.881 0.00 0.00 WAT1 ATOM 2890 OH2 TIP3 304 -1.987 -12.445 25.754 0.00 0.00 WAT1 ATOM 2891 H1 TIP3 304 -1.890 -11.778 25.074 0.00 0.00 WAT1 ATOM 2892 H2 TIP3 304 -2.127 -13.261 25.272 0.00 0.00 WAT1 ATOM 2893 OH2 TIP3 305 -2.817 -11.065 31.375 0.00 0.00 WAT1 ATOM 2894 H1 TIP3 305 -2.967 -12.010 31.355 0.00 0.00 WAT1 ATOM 2895 H2 TIP3 305 -3.171 -10.784 32.219 0.00 0.00 WAT1 ATOM 2896 OH2 TIP3 306 -3.107 -13.482 29.837 0.00 0.00 WAT1 ATOM 2897 H1 TIP3 306 -2.827 -14.389 29.962 0.00 0.00 WAT1 ATOM 2898 H2 TIP3 306 -2.348 -13.048 29.448 0.00 0.00 WAT1 ATOM 2899 OH2 TIP3 307 -2.495 -12.901 35.273 0.00 0.00 WAT1 ATOM 2900 H1 TIP3 307 -1.562 -12.689 35.239 0.00 0.00 WAT1 ATOM 2901 H2 TIP3 307 -2.730 -12.799 36.196 0.00 0.00 WAT1 ATOM 2902 OH2 TIP3 308 -2.493 -16.219 29.886 0.00 0.00 WAT1 ATOM 2903 H1 TIP3 308 -2.311 -16.668 30.711 0.00 0.00 WAT1 ATOM 2904 H2 TIP3 308 -3.093 -16.804 29.422 0.00 0.00 WAT1 ATOM 2905 OH2 TIP3 309 -0.627 -16.152 26.414 0.00 0.00 WAT1 ATOM 2906 H1 TIP3 309 -0.214 -16.873 25.938 0.00 0.00 WAT1 ATOM 2907 H2 TIP3 309 0.055 -15.482 26.472 0.00 0.00 WAT1 ATOM 2908 OH2 TIP3 310 -1.662 -17.985 39.571 0.00 0.00 WAT1 ATOM 2909 H1 TIP3 310 -2.475 -17.660 39.183 0.00 0.00 WAT1 ATOM 2910 H2 TIP3 310 -1.429 -18.745 39.038 0.00 0.00 WAT1 ATOM 2911 OH2 TIP3 311 -5.769 -17.945 33.178 0.00 0.00 WAT1 ATOM 2912 H1 TIP3 311 -5.693 -17.850 32.229 0.00 0.00 WAT1 ATOM 2913 H2 TIP3 311 -6.045 -18.853 33.307 0.00 0.00 WAT1 ATOM 2914 OH2 TIP3 312 -4.416 -17.919 28.871 0.00 0.00 WAT1 ATOM 2915 H1 TIP3 312 -5.119 -17.305 28.661 0.00 0.00 WAT1 ATOM 2916 H2 TIP3 312 -4.861 -18.757 29.002 0.00 0.00 WAT1 ATOM 2917 OH2 TIP3 313 -10.182 -15.895 28.419 0.00 0.00 WAT1 ATOM 2918 H1 TIP3 313 -10.004 -16.541 29.102 0.00 0.00 WAT1 ATOM 2919 H2 TIP3 313 -10.236 -15.061 28.886 0.00 0.00 WAT1 ATOM 2920 OH2 TIP3 314 10.962 -47.203 16.237 0.00 0.00 WAT1 ATOM 2921 H1 TIP3 314 10.924 -47.849 16.942 0.00 0.00 WAT1 ATOM 2922 H2 TIP3 314 10.639 -47.669 15.466 0.00 0.00 WAT1 ATOM 2923 OH2 TIP3 315 14.668 -44.264 14.539 0.00 0.00 WAT1 ATOM 2924 H1 TIP3 315 14.227 -44.984 14.989 0.00 0.00 WAT1 ATOM 2925 H2 TIP3 315 14.655 -43.543 15.169 0.00 0.00 WAT1 ATOM 2926 OH2 TIP3 316 4.254 -43.138 16.365 0.00 0.00 WAT1 ATOM 2927 H1 TIP3 316 3.884 -43.940 15.996 0.00 0.00 WAT1 ATOM 2928 H2 TIP3 316 5.195 -43.307 16.412 0.00 0.00 WAT1 ATOM 2929 OH2 TIP3 317 9.351 -44.770 16.643 0.00 0.00 WAT1 ATOM 2930 H1 TIP3 317 9.655 -45.456 16.049 0.00 0.00 WAT1 ATOM 2931 H2 TIP3 317 10.073 -44.652 17.261 0.00 0.00 WAT1 ATOM 2932 OH2 TIP3 318 11.826 -43.857 11.861 0.00 0.00 WAT1 ATOM 2933 H1 TIP3 318 11.530 -44.179 11.010 0.00 0.00 WAT1 ATOM 2934 H2 TIP3 318 11.502 -42.957 11.903 0.00 0.00 WAT1 ATOM 2935 OH2 TIP3 319 7.026 -45.681 18.605 0.00 0.00 WAT1 ATOM 2936 H1 TIP3 319 6.286 -45.083 18.708 0.00 0.00 WAT1 ATOM 2937 H2 TIP3 319 7.740 -45.127 18.289 0.00 0.00 WAT1 ATOM 2938 OH2 TIP3 320 5.434 -43.717 19.392 0.00 0.00 WAT1 ATOM 2939 H1 TIP3 320 5.428 -42.838 19.014 0.00 0.00 WAT1 ATOM 2940 H2 TIP3 320 4.580 -43.800 19.817 0.00 0.00 WAT1 ATOM 2941 OH2 TIP3 321 14.591 -42.742 12.021 0.00 0.00 WAT1 ATOM 2942 H1 TIP3 321 14.334 -43.432 11.409 0.00 0.00 WAT1 ATOM 2943 H2 TIP3 321 14.662 -43.185 12.866 0.00 0.00 WAT1 ATOM 2944 OH2 TIP3 322 18.119 -47.836 18.564 0.00 0.00 WAT1 ATOM 2945 H1 TIP3 322 17.467 -47.141 18.653 0.00 0.00 WAT1 ATOM 2946 H2 TIP3 322 18.584 -47.626 17.754 0.00 0.00 WAT1 ATOM 2947 OH2 TIP3 323 14.053 -48.830 20.290 0.00 0.00 WAT1 ATOM 2948 H1 TIP3 323 14.133 -48.067 20.862 0.00 0.00 WAT1 ATOM 2949 H2 TIP3 323 13.452 -48.551 19.599 0.00 0.00 WAT1 ATOM 2950 OH2 TIP3 324 7.168 -42.946 15.786 0.00 0.00 WAT1 ATOM 2951 H1 TIP3 324 7.073 -43.524 15.029 0.00 0.00 WAT1 ATOM 2952 H2 TIP3 324 7.897 -43.317 16.282 0.00 0.00 WAT1 ATOM 2953 OH2 TIP3 325 7.048 -43.206 21.455 0.00 0.00 WAT1 ATOM 2954 H1 TIP3 325 6.736 -42.424 21.911 0.00 0.00 WAT1 ATOM 2955 H2 TIP3 325 6.398 -43.359 20.769 0.00 0.00 WAT1 ATOM 2956 OH2 TIP3 326 10.753 -41.105 12.342 0.00 0.00 WAT1 ATOM 2957 H1 TIP3 326 11.227 -40.810 13.120 0.00 0.00 WAT1 ATOM 2958 H2 TIP3 326 10.190 -40.367 12.109 0.00 0.00 WAT1 ATOM 2959 OH2 TIP3 327 0.884 -44.941 19.509 0.00 0.00 WAT1 ATOM 2960 H1 TIP3 327 0.383 -44.969 18.694 0.00 0.00 WAT1 ATOM 2961 H2 TIP3 327 0.890 -45.847 19.819 0.00 0.00 WAT1 ATOM 2962 OH2 TIP3 328 0.635 -42.161 16.393 0.00 0.00 WAT1 ATOM 2963 H1 TIP3 328 1.581 -42.305 16.374 0.00 0.00 WAT1 ATOM 2964 H2 TIP3 328 0.522 -41.377 16.930 0.00 0.00 WAT1 ATOM 2965 OH2 TIP3 329 10.225 -38.149 10.757 0.00 0.00 WAT1 ATOM 2966 H1 TIP3 329 10.150 -38.270 9.811 0.00 0.00 WAT1 ATOM 2967 H2 TIP3 329 10.258 -37.199 10.876 0.00 0.00 WAT1 ATOM 2968 OH2 TIP3 330 13.327 -38.995 7.760 0.00 0.00 WAT1 ATOM 2969 H1 TIP3 330 13.702 -39.739 7.289 0.00 0.00 WAT1 ATOM 2970 H2 TIP3 330 13.331 -39.265 8.678 0.00 0.00 WAT1 ATOM 2971 OH2 TIP3 331 12.996 -39.069 10.509 0.00 0.00 WAT1 ATOM 2972 H1 TIP3 331 12.061 -38.969 10.688 0.00 0.00 WAT1 ATOM 2973 H2 TIP3 331 13.276 -39.778 11.087 0.00 0.00 WAT1 ATOM 2974 OH2 TIP3 332 15.984 -50.002 22.555 0.00 0.00 WAT1 ATOM 2975 H1 TIP3 332 15.577 -49.521 21.835 0.00 0.00 WAT1 ATOM 2976 H2 TIP3 332 16.025 -50.907 22.248 0.00 0.00 WAT1 ATOM 2977 OH2 TIP3 333 3.133 -43.618 20.552 0.00 0.00 WAT1 ATOM 2978 H1 TIP3 333 3.350 -43.979 21.412 0.00 0.00 WAT1 ATOM 2979 H2 TIP3 333 2.278 -43.992 20.342 0.00 0.00 WAT1 ATOM 2980 OH2 TIP3 334 10.478 -49.370 22.860 0.00 0.00 WAT1 ATOM 2981 H1 TIP3 334 9.915 -50.074 23.180 0.00 0.00 WAT1 ATOM 2982 H2 TIP3 334 11.304 -49.490 23.327 0.00 0.00 WAT1 ATOM 2983 OH2 TIP3 335 11.644 -48.461 18.857 0.00 0.00 WAT1 ATOM 2984 H1 TIP3 335 11.968 -49.092 18.214 0.00 0.00 WAT1 ATOM 2985 H2 TIP3 335 11.204 -48.996 19.518 0.00 0.00 WAT1 ATOM 2986 OH2 TIP3 336 3.712 -45.153 22.790 0.00 0.00 WAT1 ATOM 2987 H1 TIP3 336 4.445 -44.899 23.351 0.00 0.00 WAT1 ATOM 2988 H2 TIP3 336 2.932 -44.949 23.305 0.00 0.00 WAT1 ATOM 2989 OH2 TIP3 337 16.062 -46.012 18.413 0.00 0.00 WAT1 ATOM 2990 H1 TIP3 337 16.704 -45.555 17.870 0.00 0.00 WAT1 ATOM 2991 H2 TIP3 337 15.232 -45.899 17.951 0.00 0.00 WAT1 ATOM 2992 OH2 TIP3 338 8.062 -47.872 22.924 0.00 0.00 WAT1 ATOM 2993 H1 TIP3 338 7.766 -48.038 22.029 0.00 0.00 WAT1 ATOM 2994 H2 TIP3 338 8.993 -48.092 22.914 0.00 0.00 WAT1 ATOM 2995 OH2 TIP3 339 16.709 -41.468 9.646 0.00 0.00 WAT1 ATOM 2996 H1 TIP3 339 16.336 -42.294 9.956 0.00 0.00 WAT1 ATOM 2997 H2 TIP3 339 16.986 -41.651 8.749 0.00 0.00 WAT1 ATOM 2998 OH2 TIP3 340 13.869 -46.660 16.668 0.00 0.00 WAT1 ATOM 2999 H1 TIP3 340 12.941 -46.892 16.641 0.00 0.00 WAT1 ATOM 3000 H2 TIP3 340 14.320 -47.437 16.338 0.00 0.00 WAT1 ATOM 3001 OH2 TIP3 341 6.412 -42.332 12.801 0.00 0.00 WAT1 ATOM 3002 H1 TIP3 341 6.939 -41.559 12.600 0.00 0.00 WAT1 ATOM 3003 H2 TIP3 341 5.532 -42.107 12.499 0.00 0.00 WAT1 ATOM 3004 OH2 TIP3 342 18.605 -39.012 7.668 0.00 0.00 WAT1 ATOM 3005 H1 TIP3 342 19.348 -38.426 7.528 0.00 0.00 WAT1 ATOM 3006 H2 TIP3 342 17.910 -38.444 8.001 0.00 0.00 WAT1 ATOM 3007 OH2 TIP3 343 9.867 -41.112 9.119 0.00 0.00 WAT1 ATOM 3008 H1 TIP3 343 9.050 -40.615 9.172 0.00 0.00 WAT1 ATOM 3009 H2 TIP3 343 10.396 -40.637 8.479 0.00 0.00 WAT1 ATOM 3010 OH2 TIP3 344 9.934 -50.529 20.276 0.00 0.00 WAT1 ATOM 3011 H1 TIP3 344 10.053 -49.955 21.033 0.00 0.00 WAT1 ATOM 3012 H2 TIP3 344 10.589 -51.217 20.391 0.00 0.00 WAT1 ATOM 3013 OH2 TIP3 345 7.205 -40.069 9.101 0.00 0.00 WAT1 ATOM 3014 H1 TIP3 345 7.366 -39.269 8.600 0.00 0.00 WAT1 ATOM 3015 H2 TIP3 345 7.008 -39.762 9.986 0.00 0.00 WAT1 ATOM 3016 OH2 TIP3 346 2.252 -41.557 11.727 0.00 0.00 WAT1 ATOM 3017 H1 TIP3 346 1.420 -41.084 11.754 0.00 0.00 WAT1 ATOM 3018 H2 TIP3 346 2.798 -41.047 11.128 0.00 0.00 WAT1 ATOM 3019 OH2 TIP3 347 1.448 -45.134 24.011 0.00 0.00 WAT1 ATOM 3020 H1 TIP3 347 1.592 -46.036 23.725 0.00 0.00 WAT1 ATOM 3021 H2 TIP3 347 0.675 -44.848 23.523 0.00 0.00 WAT1 ATOM 3022 OH2 TIP3 348 8.103 -45.164 23.444 0.00 0.00 WAT1 ATOM 3023 H1 TIP3 348 7.775 -44.893 22.586 0.00 0.00 WAT1 ATOM 3024 H2 TIP3 348 8.255 -46.105 23.356 0.00 0.00 WAT1 ATOM 3025 OH2 TIP3 349 2.280 -47.934 23.431 0.00 0.00 WAT1 ATOM 3026 H1 TIP3 349 2.688 -48.791 23.310 0.00 0.00 WAT1 ATOM 3027 H2 TIP3 349 2.020 -47.919 24.352 0.00 0.00 WAT1 ATOM 3028 OH2 TIP3 350 11.247 -46.454 24.083 0.00 0.00 WAT1 ATOM 3029 H1 TIP3 350 12.200 -46.370 24.055 0.00 0.00 WAT1 ATOM 3030 H2 TIP3 350 11.087 -47.165 24.702 0.00 0.00 WAT1 ATOM 3031 OH2 TIP3 351 8.561 -47.761 19.620 0.00 0.00 WAT1 ATOM 3032 H1 TIP3 351 9.312 -47.917 19.047 0.00 0.00 WAT1 ATOM 3033 H2 TIP3 351 8.222 -46.909 19.344 0.00 0.00 WAT1 ATOM 3034 OH2 TIP3 352 12.977 -49.946 24.648 0.00 0.00 WAT1 ATOM 3035 H1 TIP3 352 13.169 -50.877 24.537 0.00 0.00 WAT1 ATOM 3036 H2 TIP3 352 13.834 -49.521 24.638 0.00 0.00 WAT1 ATOM 3037 OH2 TIP3 353 14.293 -47.157 22.726 0.00 0.00 WAT1 ATOM 3038 H1 TIP3 353 14.012 -46.448 22.148 0.00 0.00 WAT1 ATOM 3039 H2 TIP3 353 15.236 -47.230 22.575 0.00 0.00 WAT1 ATOM 3040 OH2 TIP3 354 5.045 -50.372 23.799 0.00 0.00 WAT1 ATOM 3041 H1 TIP3 354 4.278 -50.904 23.589 0.00 0.00 WAT1 ATOM 3042 H2 TIP3 354 5.724 -50.682 23.200 0.00 0.00 WAT1 ATOM 3043 OH2 TIP3 355 7.907 -37.884 7.713 0.00 0.00 WAT1 ATOM 3044 H1 TIP3 355 8.840 -37.726 7.857 0.00 0.00 WAT1 ATOM 3045 H2 TIP3 355 7.643 -37.209 7.088 0.00 0.00 WAT1 ATOM 3046 OH2 TIP3 356 0.994 -39.774 14.078 0.00 0.00 WAT1 ATOM 3047 H1 TIP3 356 0.660 -40.655 14.250 0.00 0.00 WAT1 ATOM 3048 H2 TIP3 356 1.216 -39.429 14.942 0.00 0.00 WAT1 ATOM 3049 OH2 TIP3 357 18.011 -44.513 16.904 0.00 0.00 WAT1 ATOM 3050 H1 TIP3 357 18.845 -44.891 16.623 0.00 0.00 WAT1 ATOM 3051 H2 TIP3 357 18.123 -43.570 16.785 0.00 0.00 WAT1 ATOM 3052 OH2 TIP3 358 16.895 -46.807 22.158 0.00 0.00 WAT1 ATOM 3053 H1 TIP3 358 17.478 -47.541 22.349 0.00 0.00 WAT1 ATOM 3054 H2 TIP3 358 17.459 -46.035 22.204 0.00 0.00 WAT1 ATOM 3055 OH2 TIP3 359 18.392 -48.904 22.842 0.00 0.00 WAT1 ATOM 3056 H1 TIP3 359 17.529 -49.283 22.677 0.00 0.00 WAT1 ATOM 3057 H2 TIP3 359 18.996 -49.643 22.768 0.00 0.00 WAT1 ATOM 3058 OH2 TIP3 360 16.390 -49.876 19.193 0.00 0.00 WAT1 ATOM 3059 H1 TIP3 360 15.547 -49.608 19.559 0.00 0.00 WAT1 ATOM 3060 H2 TIP3 360 16.833 -49.054 18.982 0.00 0.00 WAT1 ATOM 3061 OH2 TIP3 361 2.666 -41.946 23.173 0.00 0.00 WAT1 ATOM 3062 H1 TIP3 361 1.845 -41.771 22.713 0.00 0.00 WAT1 ATOM 3063 H2 TIP3 361 2.414 -42.019 24.094 0.00 0.00 WAT1 ATOM 3064 OH2 TIP3 362 4.578 -40.382 15.045 0.00 0.00 WAT1 ATOM 3065 H1 TIP3 362 4.359 -41.298 15.214 0.00 0.00 WAT1 ATOM 3066 H2 TIP3 362 5.402 -40.242 15.511 0.00 0.00 WAT1 ATOM 3067 OH2 TIP3 363 1.688 -39.868 9.561 0.00 0.00 WAT1 ATOM 3068 H1 TIP3 363 1.003 -39.906 8.893 0.00 0.00 WAT1 ATOM 3069 H2 TIP3 363 1.691 -38.955 9.849 0.00 0.00 WAT1 ATOM 3070 OH2 TIP3 364 10.552 -38.658 7.958 0.00 0.00 WAT1 ATOM 3071 H1 TIP3 364 11.418 -38.292 7.780 0.00 0.00 WAT1 ATOM 3072 H2 TIP3 364 10.305 -39.098 7.145 0.00 0.00 WAT1 ATOM 3073 OH2 TIP3 365 17.261 -39.095 10.638 0.00 0.00 WAT1 ATOM 3074 H1 TIP3 365 17.067 -39.843 10.073 0.00 0.00 WAT1 ATOM 3075 H2 TIP3 365 17.222 -38.337 10.054 0.00 0.00 WAT1 ATOM 3076 OH2 TIP3 366 3.506 -38.948 6.586 0.00 0.00 WAT1 ATOM 3077 H1 TIP3 366 3.238 -38.661 7.459 0.00 0.00 WAT1 ATOM 3078 H2 TIP3 366 4.277 -39.494 6.738 0.00 0.00 WAT1 ATOM 3079 OH2 TIP3 367 12.029 -46.458 31.674 0.00 0.00 WAT1 ATOM 3080 H1 TIP3 367 12.118 -45.514 31.542 0.00 0.00 WAT1 ATOM 3081 H2 TIP3 367 11.390 -46.733 31.016 0.00 0.00 WAT1 ATOM 3082 OH2 TIP3 368 3.330 -47.588 36.686 0.00 0.00 WAT1 ATOM 3083 H1 TIP3 368 3.372 -48.214 37.410 0.00 0.00 WAT1 ATOM 3084 H2 TIP3 368 4.033 -46.965 36.868 0.00 0.00 WAT1 ATOM 3085 OH2 TIP3 369 4.254 -43.138 35.221 0.00 0.00 WAT1 ATOM 3086 H1 TIP3 369 3.884 -43.940 34.852 0.00 0.00 WAT1 ATOM 3087 H2 TIP3 369 5.195 -43.307 35.268 0.00 0.00 WAT1 ATOM 3088 OH2 TIP3 370 0.864 -49.478 30.614 0.00 0.00 WAT1 ATOM 3089 H1 TIP3 370 0.416 -48.632 30.596 0.00 0.00 WAT1 ATOM 3090 H2 TIP3 370 0.303 -50.058 30.099 0.00 0.00 WAT1 ATOM 3091 OH2 TIP3 371 1.574 -47.316 32.740 0.00 0.00 WAT1 ATOM 3092 H1 TIP3 371 1.788 -48.086 33.267 0.00 0.00 WAT1 ATOM 3093 H2 TIP3 371 2.312 -47.227 32.137 0.00 0.00 WAT1 ATOM 3094 OH2 TIP3 372 12.492 -50.376 35.827 0.00 0.00 WAT1 ATOM 3095 H1 TIP3 372 12.635 -51.323 35.847 0.00 0.00 WAT1 ATOM 3096 H2 TIP3 372 12.386 -50.169 34.898 0.00 0.00 WAT1 ATOM 3097 OH2 TIP3 373 2.267 -49.878 33.861 0.00 0.00 WAT1 ATOM 3098 H1 TIP3 373 2.921 -50.428 34.293 0.00 0.00 WAT1 ATOM 3099 H2 TIP3 373 2.291 -50.152 32.945 0.00 0.00 WAT1 ATOM 3100 OH2 TIP3 374 7.423 -48.328 33.077 0.00 0.00 WAT1 ATOM 3101 H1 TIP3 374 8.039 -48.854 33.586 0.00 0.00 WAT1 ATOM 3102 H2 TIP3 374 6.837 -48.968 32.673 0.00 0.00 WAT1 ATOM 3103 OH2 TIP3 375 7.026 -45.681 37.461 0.00 0.00 WAT1 ATOM 3104 H1 TIP3 375 6.286 -45.083 37.564 0.00 0.00 WAT1 ATOM 3105 H2 TIP3 375 7.740 -45.127 37.145 0.00 0.00 WAT1 ATOM 3106 OH2 TIP3 376 10.804 -48.756 26.165 0.00 0.00 WAT1 ATOM 3107 H1 TIP3 376 11.505 -48.734 26.816 0.00 0.00 WAT1 ATOM 3108 H2 TIP3 376 11.106 -49.384 25.509 0.00 0.00 WAT1 ATOM 3109 OH2 TIP3 377 18.119 -47.836 37.420 0.00 0.00 WAT1 ATOM 3110 H1 TIP3 377 17.467 -47.141 37.509 0.00 0.00 WAT1 ATOM 3111 H2 TIP3 377 18.584 -47.626 36.610 0.00 0.00 WAT1 ATOM 3112 OH2 TIP3 378 14.156 -47.004 30.078 0.00 0.00 WAT1 ATOM 3113 H1 TIP3 378 13.424 -46.776 30.651 0.00 0.00 WAT1 ATOM 3114 H2 TIP3 378 14.603 -47.718 30.533 0.00 0.00 WAT1 ATOM 3115 OH2 TIP3 379 14.053 -48.830 39.146 0.00 0.00 WAT1 ATOM 3116 H1 TIP3 379 14.133 -48.067 39.718 0.00 0.00 WAT1 ATOM 3117 H2 TIP3 379 13.452 -48.551 38.455 0.00 0.00 WAT1 ATOM 3118 OH2 TIP3 380 6.168 -47.605 35.594 0.00 0.00 WAT1 ATOM 3119 H1 TIP3 380 6.733 -47.484 34.831 0.00 0.00 WAT1 ATOM 3120 H2 TIP3 380 6.487 -46.968 36.233 0.00 0.00 WAT1 ATOM 3121 OH2 TIP3 381 13.027 -47.842 27.763 0.00 0.00 WAT1 ATOM 3122 H1 TIP3 381 13.606 -47.692 28.510 0.00 0.00 WAT1 ATOM 3123 H2 TIP3 381 13.441 -47.371 27.040 0.00 0.00 WAT1 ATOM 3124 OH2 TIP3 382 3.968 -47.008 39.540 0.00 0.00 WAT1 ATOM 3125 H1 TIP3 382 4.038 -46.357 40.238 0.00 0.00 WAT1 ATOM 3126 H2 TIP3 382 3.077 -46.905 39.205 0.00 0.00 WAT1 ATOM 3127 OH2 TIP3 383 0.884 -44.941 38.365 0.00 0.00 WAT1 ATOM 3128 H1 TIP3 383 0.383 -44.969 37.550 0.00 0.00 WAT1 ATOM 3129 H2 TIP3 383 0.890 -45.847 38.675 0.00 0.00 WAT1 ATOM 3130 OH2 TIP3 384 15.984 -50.002 41.411 0.00 0.00 WAT1 ATOM 3131 H1 TIP3 384 15.577 -49.521 40.691 0.00 0.00 WAT1 ATOM 3132 H2 TIP3 384 16.025 -50.907 41.104 0.00 0.00 WAT1 ATOM 3133 OH2 TIP3 385 3.133 -43.618 39.408 0.00 0.00 WAT1 ATOM 3134 H1 TIP3 385 3.350 -43.979 40.268 0.00 0.00 WAT1 ATOM 3135 H2 TIP3 385 2.278 -43.992 39.198 0.00 0.00 WAT1 ATOM 3136 OH2 TIP3 386 5.840 -49.961 31.411 0.00 0.00 WAT1 ATOM 3137 H1 TIP3 386 4.947 -50.302 31.352 0.00 0.00 WAT1 ATOM 3138 H2 TIP3 386 6.291 -50.338 30.655 0.00 0.00 WAT1 ATOM 3139 OH2 TIP3 387 11.376 -49.545 30.228 0.00 0.00 WAT1 ATOM 3140 H1 TIP3 387 10.967 -48.730 29.936 0.00 0.00 WAT1 ATOM 3141 H2 TIP3 387 12.096 -49.685 29.613 0.00 0.00 WAT1 ATOM 3142 OH2 TIP3 388 12.380 -50.099 33.042 0.00 0.00 WAT1 ATOM 3143 H1 TIP3 388 12.185 -49.494 32.327 0.00 0.00 WAT1 ATOM 3144 H2 TIP3 388 12.562 -50.933 32.607 0.00 0.00 WAT1 ATOM 3145 OH2 TIP3 389 11.644 -48.461 37.713 0.00 0.00 WAT1 ATOM 3146 H1 TIP3 389 11.968 -49.092 37.070 0.00 0.00 WAT1 ATOM 3147 H2 TIP3 389 11.204 -48.996 38.374 0.00 0.00 WAT1 ATOM 3148 OH2 TIP3 390 3.250 -50.905 31.324 0.00 0.00 WAT1 ATOM 3149 H1 TIP3 390 2.361 -50.805 30.984 0.00 0.00 WAT1 ATOM 3150 H2 TIP3 390 3.546 -51.747 30.978 0.00 0.00 WAT1 ATOM 3151 OH2 TIP3 391 6.903 -50.905 28.980 0.00 0.00 WAT1 ATOM 3152 H1 TIP3 391 7.835 -50.776 29.158 0.00 0.00 WAT1 ATOM 3153 H2 TIP3 391 6.688 -50.235 28.331 0.00 0.00 WAT1 ATOM 3154 OH2 TIP3 392 5.577 -49.710 26.547 0.00 0.00 WAT1 ATOM 3155 H1 TIP3 392 5.035 -50.090 25.856 0.00 0.00 WAT1 ATOM 3156 H2 TIP3 392 6.411 -49.516 26.118 0.00 0.00 WAT1 ATOM 3157 OH2 TIP3 393 3.712 -45.153 41.646 0.00 0.00 WAT1 ATOM 3158 H1 TIP3 393 4.445 -44.899 42.207 0.00 0.00 WAT1 ATOM 3159 H2 TIP3 393 2.932 -44.949 42.161 0.00 0.00 WAT1 ATOM 3160 OH2 TIP3 394 9.742 -49.746 34.384 0.00 0.00 WAT1 ATOM 3161 H1 TIP3 394 10.306 -50.293 33.837 0.00 0.00 WAT1 ATOM 3162 H2 TIP3 394 9.594 -50.268 35.173 0.00 0.00 WAT1 ATOM 3163 OH2 TIP3 395 10.432 -44.961 39.720 0.00 0.00 WAT1 ATOM 3164 H1 TIP3 395 10.086 -45.342 40.526 0.00 0.00 WAT1 ATOM 3165 H2 TIP3 395 10.232 -44.027 39.791 0.00 0.00 WAT1 ATOM 3166 OH2 TIP3 396 13.528 -50.464 28.343 0.00 0.00 WAT1 ATOM 3167 H1 TIP3 396 14.420 -50.601 28.662 0.00 0.00 WAT1 ATOM 3168 H2 TIP3 396 13.585 -49.673 27.806 0.00 0.00 WAT1 ATOM 3169 OH2 TIP3 397 4.037 -45.850 34.252 0.00 0.00 WAT1 ATOM 3170 H1 TIP3 397 4.782 -45.852 33.651 0.00 0.00 WAT1 ATOM 3171 H2 TIP3 397 4.115 -46.674 34.734 0.00 0.00 WAT1 ATOM 3172 OH2 TIP3 398 8.062 -47.872 41.780 0.00 0.00 WAT1 ATOM 3173 H1 TIP3 398 7.766 -48.038 40.885 0.00 0.00 WAT1 ATOM 3174 H2 TIP3 398 8.993 -48.092 41.770 0.00 0.00 WAT1 ATOM 3175 OH2 TIP3 399 18.413 -50.254 28.037 0.00 0.00 WAT1 ATOM 3176 H1 TIP3 399 17.859 -50.650 27.365 0.00 0.00 WAT1 ATOM 3177 H2 TIP3 399 18.514 -49.344 27.760 0.00 0.00 WAT1 ATOM 3178 OH2 TIP3 400 2.167 -47.470 26.244 0.00 0.00 WAT1 ATOM 3179 H1 TIP3 400 2.783 -46.843 26.623 0.00 0.00 WAT1 ATOM 3180 H2 TIP3 400 1.305 -47.154 26.515 0.00 0.00 WAT1 ATOM 3181 OH2 TIP3 401 9.398 -51.515 29.947 0.00 0.00 WAT1 ATOM 3182 H1 TIP3 401 10.210 -51.011 29.993 0.00 0.00 WAT1 ATOM 3183 H2 TIP3 401 9.153 -51.660 30.861 0.00 0.00 WAT1 ATOM 3184 OH2 TIP3 402 9.934 -50.529 39.132 0.00 0.00 WAT1 ATOM 3185 H1 TIP3 402 10.053 -49.955 39.889 0.00 0.00 WAT1 ATOM 3186 H2 TIP3 402 10.589 -51.217 39.247 0.00 0.00 WAT1 ATOM 3187 OH2 TIP3 403 14.740 -48.871 34.063 0.00 0.00 WAT1 ATOM 3188 H1 TIP3 403 13.943 -49.286 33.734 0.00 0.00 WAT1 ATOM 3189 H2 TIP3 403 15.185 -49.562 34.554 0.00 0.00 WAT1 ATOM 3190 OH2 TIP3 404 2.514 -50.279 25.749 0.00 0.00 WAT1 ATOM 3191 H1 TIP3 404 2.469 -49.340 25.928 0.00 0.00 WAT1 ATOM 3192 H2 TIP3 404 1.626 -50.515 25.479 0.00 0.00 WAT1 ATOM 3193 OH2 TIP3 405 1.448 -45.134 42.867 0.00 0.00 WAT1 ATOM 3194 H1 TIP3 405 1.592 -46.036 42.581 0.00 0.00 WAT1 ATOM 3195 H2 TIP3 405 0.675 -44.848 42.379 0.00 0.00 WAT1 ATOM 3196 OH2 TIP3 406 5.789 -44.790 24.999 0.00 0.00 WAT1 ATOM 3197 H1 TIP3 406 5.853 -45.584 25.530 0.00 0.00 WAT1 ATOM 3198 H2 TIP3 406 6.442 -44.909 24.310 0.00 0.00 WAT1 ATOM 3199 OH2 TIP3 407 8.103 -45.164 42.300 0.00 0.00 WAT1 ATOM 3200 H1 TIP3 407 7.775 -44.893 41.442 0.00 0.00 WAT1 ATOM 3201 H2 TIP3 407 8.255 -46.105 42.212 0.00 0.00 WAT1 ATOM 3202 OH2 TIP3 408 13.838 -45.248 39.683 0.00 0.00 WAT1 ATOM 3203 H1 TIP3 408 14.583 -44.660 39.563 0.00 0.00 WAT1 ATOM 3204 H2 TIP3 408 13.081 -44.666 39.746 0.00 0.00 WAT1 ATOM 3205 OH2 TIP3 409 8.009 -48.575 25.568 0.00 0.00 WAT1 ATOM 3206 H1 TIP3 409 7.829 -48.729 24.640 0.00 0.00 WAT1 ATOM 3207 H2 TIP3 409 8.960 -48.467 25.612 0.00 0.00 WAT1 ATOM 3208 OH2 TIP3 410 11.247 -46.454 42.939 0.00 0.00 WAT1 ATOM 3209 H1 TIP3 410 12.200 -46.370 42.911 0.00 0.00 WAT1 ATOM 3210 H2 TIP3 410 11.087 -47.165 43.558 0.00 0.00 WAT1 ATOM 3211 OH2 TIP3 411 8.561 -47.761 38.476 0.00 0.00 WAT1 ATOM 3212 H1 TIP3 411 9.312 -47.917 37.903 0.00 0.00 WAT1 ATOM 3213 H2 TIP3 411 8.222 -46.909 38.200 0.00 0.00 WAT1 ATOM 3214 OH2 TIP3 412 14.293 -47.157 41.582 0.00 0.00 WAT1 ATOM 3215 H1 TIP3 412 14.012 -46.448 41.004 0.00 0.00 WAT1 ATOM 3216 H2 TIP3 412 15.236 -47.230 41.431 0.00 0.00 WAT1 ATOM 3217 OH2 TIP3 413 18.520 -47.397 27.203 0.00 0.00 WAT1 ATOM 3218 H1 TIP3 413 17.999 -47.040 26.484 0.00 0.00 WAT1 ATOM 3219 H2 TIP3 413 18.487 -46.722 27.881 0.00 0.00 WAT1 ATOM 3220 OH2 TIP3 414 16.869 -50.157 25.754 0.00 0.00 WAT1 ATOM 3221 H1 TIP3 414 16.966 -49.490 25.074 0.00 0.00 WAT1 ATOM 3222 H2 TIP3 414 16.729 -50.973 25.272 0.00 0.00 WAT1 ATOM 3223 OH2 TIP3 415 16.039 -48.777 31.375 0.00 0.00 WAT1 ATOM 3224 H1 TIP3 415 15.889 -49.722 31.355 0.00 0.00 WAT1 ATOM 3225 H2 TIP3 415 15.685 -48.496 32.219 0.00 0.00 WAT1 ATOM 3226 OH2 TIP3 416 1.074 -46.699 35.385 0.00 0.00 WAT1 ATOM 3227 H1 TIP3 416 1.258 -46.781 34.450 0.00 0.00 WAT1 ATOM 3228 H2 TIP3 416 1.923 -46.823 35.809 0.00 0.00 WAT1 ATOM 3229 OH2 TIP3 417 16.895 -46.807 41.014 0.00 0.00 WAT1 ATOM 3230 H1 TIP3 417 17.478 -47.541 41.205 0.00 0.00 WAT1 ATOM 3231 H2 TIP3 417 17.459 -46.035 41.060 0.00 0.00 WAT1 ATOM 3232 OH2 TIP3 418 18.392 -48.904 41.698 0.00 0.00 WAT1 ATOM 3233 H1 TIP3 418 17.529 -49.283 41.533 0.00 0.00 WAT1 ATOM 3234 H2 TIP3 418 18.996 -49.643 41.624 0.00 0.00 WAT1 ATOM 3235 OH2 TIP3 419 16.361 -50.613 35.273 0.00 0.00 WAT1 ATOM 3236 H1 TIP3 419 17.294 -50.401 35.239 0.00 0.00 WAT1 ATOM 3237 H2 TIP3 419 16.126 -50.511 36.196 0.00 0.00 WAT1 ATOM 3238 OH2 TIP3 420 16.390 -49.876 38.049 0.00 0.00 WAT1 ATOM 3239 H1 TIP3 420 15.547 -49.608 38.415 0.00 0.00 WAT1 ATOM 3240 H2 TIP3 420 16.833 -49.054 37.838 0.00 0.00 WAT1 ATOM 3241 OH2 TIP3 421 10.225 -38.149 48.469 0.00 0.00 WAT1 ATOM 3242 H1 TIP3 421 10.150 -38.270 47.523 0.00 0.00 WAT1 ATOM 3243 H2 TIP3 421 10.258 -37.199 48.588 0.00 0.00 WAT1 ATOM 3244 OH2 TIP3 422 3.879 -39.360 50.250 0.00 0.00 WAT1 ATOM 3245 H1 TIP3 422 4.031 -39.708 51.129 0.00 0.00 WAT1 ATOM 3246 H2 TIP3 422 3.028 -39.716 49.995 0.00 0.00 WAT1 ATOM 3247 OH2 TIP3 423 13.327 -38.995 45.472 0.00 0.00 WAT1 ATOM 3248 H1 TIP3 423 13.702 -39.739 45.001 0.00 0.00 WAT1 ATOM 3249 H2 TIP3 423 13.331 -39.265 46.390 0.00 0.00 WAT1 ATOM 3250 OH2 TIP3 424 12.996 -39.069 48.221 0.00 0.00 WAT1 ATOM 3251 H1 TIP3 424 12.061 -38.969 48.400 0.00 0.00 WAT1 ATOM 3252 H2 TIP3 424 13.276 -39.778 48.799 0.00 0.00 WAT1 ATOM 3253 OH2 TIP3 425 14.504 -46.809 44.249 0.00 0.00 WAT1 ATOM 3254 H1 TIP3 425 14.546 -47.032 43.319 0.00 0.00 WAT1 ATOM 3255 H2 TIP3 425 15.353 -46.411 44.439 0.00 0.00 WAT1 ATOM 3256 OH2 TIP3 426 11.038 -43.686 46.364 0.00 0.00 WAT1 ATOM 3257 H1 TIP3 426 10.743 -42.860 46.746 0.00 0.00 WAT1 ATOM 3258 H2 TIP3 426 10.335 -44.306 46.560 0.00 0.00 WAT1 ATOM 3259 OH2 TIP3 427 16.709 -41.468 47.358 0.00 0.00 WAT1 ATOM 3260 H1 TIP3 427 16.336 -42.294 47.668 0.00 0.00 WAT1 ATOM 3261 H2 TIP3 427 16.986 -41.651 46.461 0.00 0.00 WAT1 ATOM 3262 OH2 TIP3 428 6.523 -39.647 49.634 0.00 0.00 WAT1 ATOM 3263 H1 TIP3 428 5.573 -39.542 49.686 0.00 0.00 WAT1 ATOM 3264 H2 TIP3 428 6.874 -38.827 49.979 0.00 0.00 WAT1 ATOM 3265 OH2 TIP3 429 14.101 -43.492 45.179 0.00 0.00 WAT1 ATOM 3266 H1 TIP3 429 14.454 -43.872 45.983 0.00 0.00 WAT1 ATOM 3267 H2 TIP3 429 13.152 -43.585 45.265 0.00 0.00 WAT1 ATOM 3268 OH2 TIP3 430 14.967 -44.819 47.405 0.00 0.00 WAT1 ATOM 3269 H1 TIP3 430 14.690 -45.547 47.961 0.00 0.00 WAT1 ATOM 3270 H2 TIP3 430 15.894 -44.700 47.611 0.00 0.00 WAT1 ATOM 3271 OH2 TIP3 431 8.192 -42.380 43.626 0.00 0.00 WAT1 ATOM 3272 H1 TIP3 431 8.431 -43.128 43.078 0.00 0.00 WAT1 ATOM 3273 H2 TIP3 431 7.923 -42.768 44.458 0.00 0.00 WAT1 ATOM 3274 OH2 TIP3 432 7.129 -42.810 46.082 0.00 0.00 WAT1 ATOM 3275 H1 TIP3 432 7.276 -43.330 46.872 0.00 0.00 WAT1 ATOM 3276 H2 TIP3 432 7.126 -41.903 46.388 0.00 0.00 WAT1 ATOM 3277 OH2 TIP3 433 3.582 -45.557 46.592 0.00 0.00 WAT1 ATOM 3278 H1 TIP3 433 2.896 -45.205 47.159 0.00 0.00 WAT1 ATOM 3279 H2 TIP3 433 4.105 -44.794 46.346 0.00 0.00 WAT1 ATOM 3280 OH2 TIP3 434 9.867 -41.112 46.831 0.00 0.00 WAT1 ATOM 3281 H1 TIP3 434 9.050 -40.615 46.884 0.00 0.00 WAT1 ATOM 3282 H2 TIP3 434 10.396 -40.637 46.191 0.00 0.00 WAT1 ATOM 3283 OH2 TIP3 435 7.205 -40.069 46.813 0.00 0.00 WAT1 ATOM 3284 H1 TIP3 435 7.366 -39.269 46.312 0.00 0.00 WAT1 ATOM 3285 H2 TIP3 435 7.008 -39.762 47.698 0.00 0.00 WAT1 ATOM 3286 OH2 TIP3 436 4.198 -42.943 45.489 0.00 0.00 WAT1 ATOM 3287 H1 TIP3 436 4.790 -42.244 45.765 0.00 0.00 WAT1 ATOM 3288 H2 TIP3 436 4.657 -43.376 44.770 0.00 0.00 WAT1 ATOM 3289 OH2 TIP3 437 2.252 -41.557 49.439 0.00 0.00 WAT1 ATOM 3290 H1 TIP3 437 1.420 -41.084 49.466 0.00 0.00 WAT1 ATOM 3291 H2 TIP3 437 2.798 -41.047 48.840 0.00 0.00 WAT1 ATOM 3292 OH2 TIP3 438 5.789 -44.790 43.855 0.00 0.00 WAT1 ATOM 3293 H1 TIP3 438 5.853 -45.584 44.386 0.00 0.00 WAT1 ATOM 3294 H2 TIP3 438 6.442 -44.909 43.166 0.00 0.00 WAT1 ATOM 3295 OH2 TIP3 439 11.141 -43.743 43.591 0.00 0.00 WAT1 ATOM 3296 H1 TIP3 439 10.873 -43.563 44.492 0.00 0.00 WAT1 ATOM 3297 H2 TIP3 439 10.935 -44.669 43.460 0.00 0.00 WAT1 ATOM 3298 OH2 TIP3 440 17.399 -46.220 43.869 0.00 0.00 WAT1 ATOM 3299 H1 TIP3 440 17.126 -46.645 43.056 0.00 0.00 WAT1 ATOM 3300 H2 TIP3 440 17.439 -45.289 43.652 0.00 0.00 WAT1 ATOM 3301 OH2 TIP3 441 7.907 -37.884 45.425 0.00 0.00 WAT1 ATOM 3302 H1 TIP3 441 8.840 -37.726 45.569 0.00 0.00 WAT1 ATOM 3303 H2 TIP3 441 7.643 -37.209 44.800 0.00 0.00 WAT1 ATOM 3304 OH2 TIP3 442 1.475 -43.248 44.908 0.00 0.00 WAT1 ATOM 3305 H1 TIP3 442 2.389 -43.169 45.181 0.00 0.00 WAT1 ATOM 3306 H2 TIP3 442 1.482 -43.935 44.241 0.00 0.00 WAT1 ATOM 3307 OH2 TIP3 443 17.858 -45.351 47.844 0.00 0.00 WAT1 ATOM 3308 H1 TIP3 443 18.708 -44.930 47.972 0.00 0.00 WAT1 ATOM 3309 H2 TIP3 443 17.863 -46.091 48.452 0.00 0.00 WAT1 ATOM 3310 OH2 TIP3 444 18.520 -47.397 46.059 0.00 0.00 WAT1 ATOM 3311 H1 TIP3 444 17.999 -47.040 45.340 0.00 0.00 WAT1 ATOM 3312 H2 TIP3 444 18.487 -46.722 46.737 0.00 0.00 WAT1 ATOM 3313 OH2 TIP3 445 15.281 -38.875 50.342 0.00 0.00 WAT1 ATOM 3314 H1 TIP3 445 15.934 -39.222 49.734 0.00 0.00 WAT1 ATOM 3315 H2 TIP3 445 15.792 -38.386 50.988 0.00 0.00 WAT1 ATOM 3316 OH2 TIP3 446 1.688 -39.868 47.273 0.00 0.00 WAT1 ATOM 3317 H1 TIP3 446 1.003 -39.906 46.605 0.00 0.00 WAT1 ATOM 3318 H2 TIP3 446 1.691 -38.955 47.561 0.00 0.00 WAT1 ATOM 3319 OH2 TIP3 447 10.552 -38.658 45.670 0.00 0.00 WAT1 ATOM 3320 H1 TIP3 447 11.418 -38.292 45.492 0.00 0.00 WAT1 ATOM 3321 H2 TIP3 447 10.305 -39.098 44.857 0.00 0.00 WAT1 ATOM 3322 OH2 TIP3 448 17.261 -39.095 48.350 0.00 0.00 WAT1 ATOM 3323 H1 TIP3 448 17.067 -39.843 47.785 0.00 0.00 WAT1 ATOM 3324 H2 TIP3 448 17.222 -38.337 47.766 0.00 0.00 WAT1 ATOM 3325 OH2 TIP3 449 4.254 -24.282 -2.491 0.00 0.00 WAT1 ATOM 3326 H1 TIP3 449 3.884 -25.084 -2.860 0.00 0.00 WAT1 ATOM 3327 H2 TIP3 449 5.195 -24.451 -2.444 0.00 0.00 WAT1 ATOM 3328 OH2 TIP3 450 11.779 -20.303 -4.105 0.00 0.00 WAT1 ATOM 3329 H1 TIP3 450 12.399 -20.980 -4.378 0.00 0.00 WAT1 ATOM 3330 H2 TIP3 450 11.571 -20.521 -3.197 0.00 0.00 WAT1 ATOM 3331 OH2 TIP3 451 9.351 -25.914 -2.213 0.00 0.00 WAT1 ATOM 3332 H1 TIP3 451 9.655 -26.600 -2.807 0.00 0.00 WAT1 ATOM 3333 H2 TIP3 451 10.073 -25.796 -1.595 0.00 0.00 WAT1 ATOM 3334 OH2 TIP3 452 7.026 -26.825 -0.251 0.00 0.00 WAT1 ATOM 3335 H1 TIP3 452 6.286 -26.227 -0.148 0.00 0.00 WAT1 ATOM 3336 H2 TIP3 452 7.740 -26.271 -0.567 0.00 0.00 WAT1 ATOM 3337 OH2 TIP3 453 5.434 -24.861 0.536 0.00 0.00 WAT1 ATOM 3338 H1 TIP3 453 5.428 -23.982 0.158 0.00 0.00 WAT1 ATOM 3339 H2 TIP3 453 4.580 -24.944 0.961 0.00 0.00 WAT1 ATOM 3340 OH2 TIP3 454 15.180 -23.568 -1.969 0.00 0.00 WAT1 ATOM 3341 H1 TIP3 454 14.238 -23.510 -1.808 0.00 0.00 WAT1 ATOM 3342 H2 TIP3 454 15.456 -22.662 -2.106 0.00 0.00 WAT1 ATOM 3343 OH2 TIP3 455 13.432 -21.787 -5.344 0.00 0.00 WAT1 ATOM 3344 H1 TIP3 455 13.857 -22.494 -5.829 0.00 0.00 WAT1 ATOM 3345 H2 TIP3 455 13.749 -20.986 -5.761 0.00 0.00 WAT1 ATOM 3346 OH2 TIP3 456 16.277 -25.320 1.642 0.00 0.00 WAT1 ATOM 3347 H1 TIP3 456 16.417 -25.911 0.903 0.00 0.00 WAT1 ATOM 3348 H2 TIP3 456 16.445 -24.447 1.286 0.00 0.00 WAT1 ATOM 3349 OH2 TIP3 457 14.053 -29.974 1.434 0.00 0.00 WAT1 ATOM 3350 H1 TIP3 457 14.133 -29.211 2.006 0.00 0.00 WAT1 ATOM 3351 H2 TIP3 457 13.452 -29.695 0.743 0.00 0.00 WAT1 ATOM 3352 OH2 TIP3 458 7.168 -24.090 -3.070 0.00 0.00 WAT1 ATOM 3353 H1 TIP3 458 7.073 -24.668 -3.827 0.00 0.00 WAT1 ATOM 3354 H2 TIP3 458 7.897 -24.461 -2.574 0.00 0.00 WAT1 ATOM 3355 OH2 TIP3 459 12.477 -23.246 -1.384 0.00 0.00 WAT1 ATOM 3356 H1 TIP3 459 12.236 -22.584 -0.736 0.00 0.00 WAT1 ATOM 3357 H2 TIP3 459 12.279 -24.080 -0.959 0.00 0.00 WAT1 ATOM 3358 OH2 TIP3 460 7.048 -24.350 2.599 0.00 0.00 WAT1 ATOM 3359 H1 TIP3 460 6.736 -23.568 3.055 0.00 0.00 WAT1 ATOM 3360 H2 TIP3 460 6.398 -24.503 1.913 0.00 0.00 WAT1 ATOM 3361 OH2 TIP3 461 3.968 -28.152 1.828 0.00 0.00 WAT1 ATOM 3362 H1 TIP3 461 4.038 -27.501 2.526 0.00 0.00 WAT1 ATOM 3363 H2 TIP3 461 3.077 -28.049 1.493 0.00 0.00 WAT1 ATOM 3364 OH2 TIP3 462 10.753 -22.249 -6.514 0.00 0.00 WAT1 ATOM 3365 H1 TIP3 462 11.227 -21.954 -5.736 0.00 0.00 WAT1 ATOM 3366 H2 TIP3 462 10.190 -21.511 -6.747 0.00 0.00 WAT1 ATOM 3367 OH2 TIP3 463 0.884 -26.085 0.653 0.00 0.00 WAT1 ATOM 3368 H1 TIP3 463 0.383 -26.113 -0.162 0.00 0.00 WAT1 ATOM 3369 H2 TIP3 463 0.890 -26.991 0.963 0.00 0.00 WAT1 ATOM 3370 OH2 TIP3 464 0.635 -23.305 -2.463 0.00 0.00 WAT1 ATOM 3371 H1 TIP3 464 1.581 -23.449 -2.482 0.00 0.00 WAT1 ATOM 3372 H2 TIP3 464 0.522 -22.521 -1.926 0.00 0.00 WAT1 ATOM 3373 OH2 TIP3 465 18.832 -22.639 3.219 0.00 0.00 WAT1 ATOM 3374 H1 TIP3 465 18.783 -23.594 3.182 0.00 0.00 WAT1 ATOM 3375 H2 TIP3 465 18.006 -22.371 3.621 0.00 0.00 WAT1 ATOM 3376 OH2 TIP3 466 10.225 -19.293 -8.099 0.00 0.00 WAT1 ATOM 3377 H1 TIP3 466 10.150 -19.414 -9.045 0.00 0.00 WAT1 ATOM 3378 H2 TIP3 466 10.258 -18.343 -7.980 0.00 0.00 WAT1 ATOM 3379 OH2 TIP3 467 3.879 -20.504 -6.318 0.00 0.00 WAT1 ATOM 3380 H1 TIP3 467 4.031 -20.852 -5.439 0.00 0.00 WAT1 ATOM 3381 H2 TIP3 467 3.028 -20.860 -6.573 0.00 0.00 WAT1 ATOM 3382 OH2 TIP3 468 15.984 -31.146 3.699 0.00 0.00 WAT1 ATOM 3383 H1 TIP3 468 15.577 -30.665 2.979 0.00 0.00 WAT1 ATOM 3384 H2 TIP3 468 16.025 -32.051 3.392 0.00 0.00 WAT1 ATOM 3385 OH2 TIP3 469 10.478 -30.514 4.004 0.00 0.00 WAT1 ATOM 3386 H1 TIP3 469 9.915 -31.218 4.324 0.00 0.00 WAT1 ATOM 3387 H2 TIP3 469 11.304 -30.634 4.471 0.00 0.00 WAT1 ATOM 3388 OH2 TIP3 470 11.644 -29.605 0.001 0.00 0.00 WAT1 ATOM 3389 H1 TIP3 470 11.968 -30.236 -0.642 0.00 0.00 WAT1 ATOM 3390 H2 TIP3 470 11.204 -30.140 0.662 0.00 0.00 WAT1 ATOM 3391 OH2 TIP3 471 3.712 -26.297 3.934 0.00 0.00 WAT1 ATOM 3392 H1 TIP3 471 4.445 -26.043 4.495 0.00 0.00 WAT1 ATOM 3393 H2 TIP3 471 2.932 -26.093 4.449 0.00 0.00 WAT1 ATOM 3394 OH2 TIP3 472 10.432 -26.105 2.008 0.00 0.00 WAT1 ATOM 3395 H1 TIP3 472 10.086 -26.486 2.814 0.00 0.00 WAT1 ATOM 3396 H2 TIP3 472 10.232 -25.171 2.079 0.00 0.00 WAT1 ATOM 3397 OH2 TIP3 473 4.037 -26.994 -3.460 0.00 0.00 WAT1 ATOM 3398 H1 TIP3 473 4.782 -26.996 -4.061 0.00 0.00 WAT1 ATOM 3399 H2 TIP3 473 4.115 -27.818 -2.978 0.00 0.00 WAT1 ATOM 3400 OH2 TIP3 474 1.045 -28.533 1.855 0.00 0.00 WAT1 ATOM 3401 H1 TIP3 474 1.268 -28.951 2.687 0.00 0.00 WAT1 ATOM 3402 H2 TIP3 474 0.443 -29.146 1.433 0.00 0.00 WAT1 ATOM 3403 OH2 TIP3 475 8.062 -29.016 4.068 0.00 0.00 WAT1 ATOM 3404 H1 TIP3 475 7.766 -29.182 3.173 0.00 0.00 WAT1 ATOM 3405 H2 TIP3 475 8.993 -29.236 4.058 0.00 0.00 WAT1 ATOM 3406 OH2 TIP3 476 12.682 -23.643 1.958 0.00 0.00 WAT1 ATOM 3407 H1 TIP3 476 11.781 -23.460 1.690 0.00 0.00 WAT1 ATOM 3408 H2 TIP3 476 12.716 -23.384 2.879 0.00 0.00 WAT1 ATOM 3409 OH2 TIP3 477 18.377 -25.598 3.162 0.00 0.00 WAT1 ATOM 3410 H1 TIP3 477 17.525 -25.360 2.795 0.00 0.00 WAT1 ATOM 3411 H2 TIP3 477 18.967 -25.615 2.409 0.00 0.00 WAT1 ATOM 3412 OH2 TIP3 478 6.412 -23.476 -6.055 0.00 0.00 WAT1 ATOM 3413 H1 TIP3 478 6.939 -22.703 -6.256 0.00 0.00 WAT1 ATOM 3414 H2 TIP3 478 5.532 -23.251 -6.357 0.00 0.00 WAT1 ATOM 3415 OH2 TIP3 479 6.523 -20.791 -6.934 0.00 0.00 WAT1 ATOM 3416 H1 TIP3 479 5.573 -20.686 -6.882 0.00 0.00 WAT1 ATOM 3417 H2 TIP3 479 6.874 -19.971 -6.589 0.00 0.00 WAT1 ATOM 3418 OH2 TIP3 480 11.898 -25.565 -0.463 0.00 0.00 WAT1 ATOM 3419 H1 TIP3 480 11.472 -25.792 0.363 0.00 0.00 WAT1 ATOM 3420 H2 TIP3 480 12.479 -26.303 -0.646 0.00 0.00 WAT1 ATOM 3421 OH2 TIP3 481 9.934 -31.673 1.420 0.00 0.00 WAT1 ATOM 3422 H1 TIP3 481 10.053 -31.099 2.177 0.00 0.00 WAT1 ATOM 3423 H2 TIP3 481 10.589 -32.361 1.535 0.00 0.00 WAT1 ATOM 3424 OH2 TIP3 482 15.827 -20.759 -2.027 0.00 0.00 WAT1 ATOM 3425 H1 TIP3 482 15.671 -20.081 -2.684 0.00 0.00 WAT1 ATOM 3426 H2 TIP3 482 16.759 -20.687 -1.824 0.00 0.00 WAT1 ATOM 3427 OH2 TIP3 483 2.252 -22.701 -7.129 0.00 0.00 WAT1 ATOM 3428 H1 TIP3 483 1.420 -22.228 -7.102 0.00 0.00 WAT1 ATOM 3429 H2 TIP3 483 2.798 -22.191 -7.728 0.00 0.00 WAT1 ATOM 3430 OH2 TIP3 484 1.448 -26.278 5.155 0.00 0.00 WAT1 ATOM 3431 H1 TIP3 484 1.592 -27.180 4.869 0.00 0.00 WAT1 ATOM 3432 H2 TIP3 484 0.675 -25.992 4.667 0.00 0.00 WAT1 ATOM 3433 OH2 TIP3 485 13.838 -26.392 1.971 0.00 0.00 WAT1 ATOM 3434 H1 TIP3 485 14.583 -25.804 1.851 0.00 0.00 WAT1 ATOM 3435 H2 TIP3 485 13.081 -25.810 2.034 0.00 0.00 WAT1 ATOM 3436 OH2 TIP3 486 2.280 -29.078 4.575 0.00 0.00 WAT1 ATOM 3437 H1 TIP3 486 2.688 -29.935 4.454 0.00 0.00 WAT1 ATOM 3438 H2 TIP3 486 2.020 -29.063 5.496 0.00 0.00 WAT1 ATOM 3439 OH2 TIP3 487 8.561 -28.905 0.764 0.00 0.00 WAT1 ATOM 3440 H1 TIP3 487 9.312 -29.061 0.191 0.00 0.00 WAT1 ATOM 3441 H2 TIP3 487 8.222 -28.053 0.488 0.00 0.00 WAT1 ATOM 3442 OH2 TIP3 488 12.977 -31.090 5.792 0.00 0.00 WAT1 ATOM 3443 H1 TIP3 488 13.169 -32.021 5.681 0.00 0.00 WAT1 ATOM 3444 H2 TIP3 488 13.834 -30.665 5.782 0.00 0.00 WAT1 ATOM 3445 OH2 TIP3 489 14.293 -28.301 3.870 0.00 0.00 WAT1 ATOM 3446 H1 TIP3 489 14.012 -27.592 3.292 0.00 0.00 WAT1 ATOM 3447 H2 TIP3 489 15.236 -28.374 3.719 0.00 0.00 WAT1 ATOM 3448 OH2 TIP3 490 9.049 -32.566 4.519 0.00 0.00 WAT1 ATOM 3449 H1 TIP3 490 8.813 -32.786 5.421 0.00 0.00 WAT1 ATOM 3450 H2 TIP3 490 8.266 -32.773 4.010 0.00 0.00 WAT1 ATOM 3451 OH2 TIP3 491 11.765 -33.439 3.595 0.00 0.00 WAT1 ATOM 3452 H1 TIP3 491 10.817 -33.407 3.727 0.00 0.00 WAT1 ATOM 3453 H2 TIP3 491 12.077 -34.064 4.249 0.00 0.00 WAT1 ATOM 3454 OH2 TIP3 492 0.994 -20.918 -4.778 0.00 0.00 WAT1 ATOM 3455 H1 TIP3 492 0.660 -21.799 -4.606 0.00 0.00 WAT1 ATOM 3456 H2 TIP3 492 1.216 -20.573 -3.914 0.00 0.00 WAT1 ATOM 3457 OH2 TIP3 493 18.543 -20.109 -1.798 0.00 0.00 WAT1 ATOM 3458 H1 TIP3 493 18.521 -19.924 -0.859 0.00 0.00 WAT1 ATOM 3459 H2 TIP3 493 19.233 -19.540 -2.139 0.00 0.00 WAT1 ATOM 3460 OH2 TIP3 494 18.106 -20.542 1.124 0.00 0.00 WAT1 ATOM 3461 H1 TIP3 494 17.619 -21.277 0.753 0.00 0.00 WAT1 ATOM 3462 H2 TIP3 494 18.655 -20.935 1.802 0.00 0.00 WAT1 ATOM 3463 OH2 TIP3 495 16.498 -22.779 0.355 0.00 0.00 WAT1 ATOM 3464 H1 TIP3 495 15.850 -22.454 0.980 0.00 0.00 WAT1 ATOM 3465 H2 TIP3 495 15.980 -23.219 -0.320 0.00 0.00 WAT1 ATOM 3466 OH2 TIP3 496 1.074 -27.843 -2.327 0.00 0.00 WAT1 ATOM 3467 H1 TIP3 496 1.258 -27.925 -3.262 0.00 0.00 WAT1 ATOM 3468 H2 TIP3 496 1.923 -27.967 -1.903 0.00 0.00 WAT1 ATOM 3469 OH2 TIP3 497 16.895 -27.951 3.302 0.00 0.00 WAT1 ATOM 3470 H1 TIP3 497 17.478 -28.685 3.493 0.00 0.00 WAT1 ATOM 3471 H2 TIP3 497 17.459 -27.179 3.348 0.00 0.00 WAT1 ATOM 3472 OH2 TIP3 498 18.392 -30.048 3.986 0.00 0.00 WAT1 ATOM 3473 H1 TIP3 498 17.529 -30.427 3.821 0.00 0.00 WAT1 ATOM 3474 H2 TIP3 498 18.996 -30.787 3.912 0.00 0.00 WAT1 ATOM 3475 OH2 TIP3 499 15.281 -20.019 -6.226 0.00 0.00 WAT1 ATOM 3476 H1 TIP3 499 15.934 -20.366 -6.834 0.00 0.00 WAT1 ATOM 3477 H2 TIP3 499 15.792 -19.530 -5.580 0.00 0.00 WAT1 ATOM 3478 OH2 TIP3 500 0.864 -30.622 11.758 0.00 0.00 WAT1 ATOM 3479 H1 TIP3 500 0.416 -29.776 11.740 0.00 0.00 WAT1 ATOM 3480 H2 TIP3 500 0.303 -31.202 11.243 0.00 0.00 WAT1 ATOM 3481 OH2 TIP3 501 10.750 -28.358 10.270 0.00 0.00 WAT1 ATOM 3482 H1 TIP3 501 10.038 -27.823 9.919 0.00 0.00 WAT1 ATOM 3483 H2 TIP3 501 11.441 -28.302 9.610 0.00 0.00 WAT1 ATOM 3484 OH2 TIP3 502 16.725 -37.236 8.720 0.00 0.00 WAT1 ATOM 3485 H1 TIP3 502 15.826 -37.097 9.015 0.00 0.00 WAT1 ATOM 3486 H2 TIP3 502 16.977 -36.405 8.318 0.00 0.00 WAT1 ATOM 3487 OH2 TIP3 503 10.077 -34.077 7.207 0.00 0.00 WAT1 ATOM 3488 H1 TIP3 503 9.823 -34.058 8.130 0.00 0.00 WAT1 ATOM 3489 H2 TIP3 503 9.820 -34.949 6.906 0.00 0.00 WAT1 ATOM 3490 OH2 TIP3 504 6.959 -33.632 6.308 0.00 0.00 WAT1 ATOM 3491 H1 TIP3 504 6.528 -34.077 7.038 0.00 0.00 WAT1 ATOM 3492 H2 TIP3 504 6.241 -33.260 5.796 0.00 0.00 WAT1 ATOM 3493 OH2 TIP3 505 1.476 -33.144 8.784 0.00 0.00 WAT1 ATOM 3494 H1 TIP3 505 1.950 -32.553 8.199 0.00 0.00 WAT1 ATOM 3495 H2 TIP3 505 0.758 -32.613 9.131 0.00 0.00 WAT1 ATOM 3496 OH2 TIP3 506 6.903 -32.049 10.124 0.00 0.00 WAT1 ATOM 3497 H1 TIP3 506 7.835 -31.920 10.302 0.00 0.00 WAT1 ATOM 3498 H2 TIP3 506 6.688 -31.379 9.475 0.00 0.00 WAT1 ATOM 3499 OH2 TIP3 507 5.577 -30.854 7.691 0.00 0.00 WAT1 ATOM 3500 H1 TIP3 507 5.035 -31.234 7.000 0.00 0.00 WAT1 ATOM 3501 H2 TIP3 507 6.411 -30.660 7.262 0.00 0.00 WAT1 ATOM 3502 OH2 TIP3 508 12.810 -33.475 7.826 0.00 0.00 WAT1 ATOM 3503 H1 TIP3 508 11.872 -33.363 7.675 0.00 0.00 WAT1 ATOM 3504 H2 TIP3 508 13.107 -32.618 8.132 0.00 0.00 WAT1 ATOM 3505 OH2 TIP3 509 13.528 -31.608 9.487 0.00 0.00 WAT1 ATOM 3506 H1 TIP3 509 14.420 -31.745 9.806 0.00 0.00 WAT1 ATOM 3507 H2 TIP3 509 13.585 -30.817 8.950 0.00 0.00 WAT1 ATOM 3508 OH2 TIP3 510 18.413 -31.398 9.181 0.00 0.00 WAT1 ATOM 3509 H1 TIP3 510 17.859 -31.794 8.509 0.00 0.00 WAT1 ATOM 3510 H2 TIP3 510 18.514 -30.488 8.904 0.00 0.00 WAT1 ATOM 3511 OH2 TIP3 511 2.167 -28.614 7.388 0.00 0.00 WAT1 ATOM 3512 H1 TIP3 511 2.783 -27.987 7.767 0.00 0.00 WAT1 ATOM 3513 H2 TIP3 511 1.305 -28.298 7.659 0.00 0.00 WAT1 ATOM 3514 OH2 TIP3 512 12.198 -34.387 10.256 0.00 0.00 WAT1 ATOM 3515 H1 TIP3 512 12.418 -33.915 9.453 0.00 0.00 WAT1 ATOM 3516 H2 TIP3 512 12.756 -33.992 10.927 0.00 0.00 WAT1 ATOM 3517 OH2 TIP3 513 10.282 -35.578 12.029 0.00 0.00 WAT1 ATOM 3518 H1 TIP3 513 9.935 -34.960 12.674 0.00 0.00 WAT1 ATOM 3519 H2 TIP3 513 10.940 -35.077 11.548 0.00 0.00 WAT1 ATOM 3520 OH2 TIP3 514 5.939 -34.515 8.717 0.00 0.00 WAT1 ATOM 3521 H1 TIP3 514 5.856 -33.626 9.063 0.00 0.00 WAT1 ATOM 3522 H2 TIP3 514 6.829 -34.780 8.948 0.00 0.00 WAT1 ATOM 3523 OH2 TIP3 515 2.514 -31.423 6.893 0.00 0.00 WAT1 ATOM 3524 H1 TIP3 515 2.469 -30.484 7.072 0.00 0.00 WAT1 ATOM 3525 H2 TIP3 515 1.626 -31.659 6.623 0.00 0.00 WAT1 ATOM 3526 OH2 TIP3 516 5.789 -25.934 6.143 0.00 0.00 WAT1 ATOM 3527 H1 TIP3 516 5.853 -26.728 6.674 0.00 0.00 WAT1 ATOM 3528 H2 TIP3 516 6.442 -26.053 5.454 0.00 0.00 WAT1 ATOM 3529 OH2 TIP3 517 6.938 -27.962 8.449 0.00 0.00 WAT1 ATOM 3530 H1 TIP3 517 6.479 -28.446 9.135 0.00 0.00 WAT1 ATOM 3531 H2 TIP3 517 7.193 -28.630 7.813 0.00 0.00 WAT1 ATOM 3532 OH2 TIP3 518 8.009 -29.719 6.712 0.00 0.00 WAT1 ATOM 3533 H1 TIP3 518 7.829 -29.873 5.784 0.00 0.00 WAT1 ATOM 3534 H2 TIP3 518 8.960 -29.611 6.756 0.00 0.00 WAT1 ATOM 3535 OH2 TIP3 519 17.399 -27.364 6.157 0.00 0.00 WAT1 ATOM 3536 H1 TIP3 519 17.126 -27.789 5.344 0.00 0.00 WAT1 ATOM 3537 H2 TIP3 519 17.439 -26.433 5.940 0.00 0.00 WAT1 ATOM 3538 OH2 TIP3 520 18.520 -28.541 8.347 0.00 0.00 WAT1 ATOM 3539 H1 TIP3 520 17.999 -28.184 7.628 0.00 0.00 WAT1 ATOM 3540 H2 TIP3 520 18.487 -27.866 9.025 0.00 0.00 WAT1 ATOM 3541 OH2 TIP3 521 16.869 -31.301 6.898 0.00 0.00 WAT1 ATOM 3542 H1 TIP3 521 16.966 -30.634 6.218 0.00 0.00 WAT1 ATOM 3543 H2 TIP3 521 16.729 -32.117 6.416 0.00 0.00 WAT1 ATOM 3544 OH2 TIP3 522 16.117 -33.893 6.015 0.00 0.00 WAT1 ATOM 3545 H1 TIP3 522 16.727 -34.265 6.652 0.00 0.00 WAT1 ATOM 3546 H2 TIP3 522 15.280 -34.315 6.211 0.00 0.00 WAT1 ATOM 3547 OH2 TIP3 523 18.229 -35.008 7.558 0.00 0.00 WAT1 ATOM 3548 H1 TIP3 523 18.642 -35.729 7.082 0.00 0.00 WAT1 ATOM 3549 H2 TIP3 523 18.911 -34.338 7.616 0.00 0.00 WAT1 ATOM 3550 OH2 TIP3 524 1.787 -36.960 8.663 0.00 0.00 WAT1 ATOM 3551 H1 TIP3 524 2.226 -36.349 8.072 0.00 0.00 WAT1 ATOM 3552 H2 TIP3 524 1.153 -36.422 9.137 0.00 0.00 WAT1 ATOM 3553 OH2 TIP3 525 14.440 -36.775 10.015 0.00 0.00 WAT1 ATOM 3554 H1 TIP3 525 13.737 -36.161 9.805 0.00 0.00 WAT1 ATOM 3555 H2 TIP3 525 13.995 -37.613 10.146 0.00 0.00 WAT1 ATOM 3556 OH2 TIP3 526 3.648 -35.044 7.106 0.00 0.00 WAT1 ATOM 3557 H1 TIP3 526 4.139 -35.674 6.578 0.00 0.00 WAT1 ATOM 3558 H2 TIP3 526 4.271 -34.748 7.769 0.00 0.00 WAT1 ATOM 3559 OH2 TIP3 527 8.674 -34.751 9.563 0.00 0.00 WAT1 ATOM 3560 H1 TIP3 527 8.852 -35.397 10.246 0.00 0.00 WAT1 ATOM 3561 H2 TIP3 527 8.620 -33.917 10.030 0.00 0.00 WAT1 ATOM 3562 OH2 TIP3 528 15.180 -23.568 35.743 0.00 0.00 WAT1 ATOM 3563 H1 TIP3 528 14.238 -23.510 35.904 0.00 0.00 WAT1 ATOM 3564 H2 TIP3 528 15.456 -22.662 35.606 0.00 0.00 WAT1 ATOM 3565 OH2 TIP3 529 16.277 -25.320 39.354 0.00 0.00 WAT1 ATOM 3566 H1 TIP3 529 16.417 -25.911 38.615 0.00 0.00 WAT1 ATOM 3567 H2 TIP3 529 16.445 -24.447 38.998 0.00 0.00 WAT1 ATOM 3568 OH2 TIP3 530 12.477 -23.246 36.328 0.00 0.00 WAT1 ATOM 3569 H1 TIP3 530 12.236 -22.584 36.976 0.00 0.00 WAT1 ATOM 3570 H2 TIP3 530 12.279 -24.080 36.753 0.00 0.00 WAT1 ATOM 3571 OH2 TIP3 531 3.968 -28.152 39.540 0.00 0.00 WAT1 ATOM 3572 H1 TIP3 531 4.038 -27.501 40.238 0.00 0.00 WAT1 ATOM 3573 H2 TIP3 531 3.077 -28.049 39.205 0.00 0.00 WAT1 ATOM 3574 OH2 TIP3 532 5.287 -22.278 41.075 0.00 0.00 WAT1 ATOM 3575 H1 TIP3 532 5.295 -22.414 40.127 0.00 0.00 WAT1 ATOM 3576 H2 TIP3 532 4.371 -22.396 41.327 0.00 0.00 WAT1 ATOM 3577 OH2 TIP3 533 0.635 -23.305 35.249 0.00 0.00 WAT1 ATOM 3578 H1 TIP3 533 1.581 -23.449 35.230 0.00 0.00 WAT1 ATOM 3579 H2 TIP3 533 0.522 -22.521 35.786 0.00 0.00 WAT1 ATOM 3580 OH2 TIP3 534 18.832 -22.639 40.931 0.00 0.00 WAT1 ATOM 3581 H1 TIP3 534 18.783 -23.594 40.894 0.00 0.00 WAT1 ATOM 3582 H2 TIP3 534 18.006 -22.371 41.333 0.00 0.00 WAT1 ATOM 3583 OH2 TIP3 535 3.133 -24.762 39.408 0.00 0.00 WAT1 ATOM 3584 H1 TIP3 535 3.350 -25.123 40.268 0.00 0.00 WAT1 ATOM 3585 H2 TIP3 535 2.278 -25.136 39.198 0.00 0.00 WAT1 ATOM 3586 OH2 TIP3 536 16.114 -18.771 42.038 0.00 0.00 WAT1 ATOM 3587 H1 TIP3 536 16.314 -18.347 41.203 0.00 0.00 WAT1 ATOM 3588 H2 TIP3 536 16.770 -18.428 42.645 0.00 0.00 WAT1 ATOM 3589 OH2 TIP3 537 3.712 -26.297 41.646 0.00 0.00 WAT1 ATOM 3590 H1 TIP3 537 4.445 -26.043 42.207 0.00 0.00 WAT1 ATOM 3591 H2 TIP3 537 2.932 -26.093 42.161 0.00 0.00 WAT1 ATOM 3592 OH2 TIP3 538 16.062 -27.156 37.269 0.00 0.00 WAT1 ATOM 3593 H1 TIP3 538 16.704 -26.699 36.726 0.00 0.00 WAT1 ATOM 3594 H2 TIP3 538 15.232 -27.043 36.807 0.00 0.00 WAT1 ATOM 3595 OH2 TIP3 539 1.045 -28.533 39.567 0.00 0.00 WAT1 ATOM 3596 H1 TIP3 539 1.268 -28.951 40.399 0.00 0.00 WAT1 ATOM 3597 H2 TIP3 539 0.443 -29.146 39.145 0.00 0.00 WAT1 ATOM 3598 OH2 TIP3 540 12.682 -23.643 39.670 0.00 0.00 WAT1 ATOM 3599 H1 TIP3 540 11.781 -23.460 39.402 0.00 0.00 WAT1 ATOM 3600 H2 TIP3 540 12.716 -23.384 40.591 0.00 0.00 WAT1 ATOM 3601 OH2 TIP3 541 18.377 -25.598 40.874 0.00 0.00 WAT1 ATOM 3602 H1 TIP3 541 17.525 -25.360 40.507 0.00 0.00 WAT1 ATOM 3603 H2 TIP3 541 18.967 -25.615 40.121 0.00 0.00 WAT1 ATOM 3604 OH2 TIP3 542 14.557 -21.013 39.718 0.00 0.00 WAT1 ATOM 3605 H1 TIP3 542 13.955 -21.568 39.223 0.00 0.00 WAT1 ATOM 3606 H2 TIP3 542 14.838 -20.346 39.092 0.00 0.00 WAT1 ATOM 3607 OH2 TIP3 543 2.330 -21.975 37.560 0.00 0.00 WAT1 ATOM 3608 H1 TIP3 543 2.547 -22.907 37.529 0.00 0.00 WAT1 ATOM 3609 H2 TIP3 543 2.577 -21.701 38.444 0.00 0.00 WAT1 ATOM 3610 OH2 TIP3 544 6.138 -21.169 43.533 0.00 0.00 WAT1 ATOM 3611 H1 TIP3 544 6.906 -21.628 43.874 0.00 0.00 WAT1 ATOM 3612 H2 TIP3 544 6.117 -21.395 42.603 0.00 0.00 WAT1 ATOM 3613 OH2 TIP3 545 12.715 -22.789 42.262 0.00 0.00 WAT1 ATOM 3614 H1 TIP3 545 12.364 -23.645 42.505 0.00 0.00 WAT1 ATOM 3615 H2 TIP3 545 13.441 -22.646 42.869 0.00 0.00 WAT1 ATOM 3616 OH2 TIP3 546 1.448 -26.278 42.867 0.00 0.00 WAT1 ATOM 3617 H1 TIP3 546 1.592 -27.180 42.581 0.00 0.00 WAT1 ATOM 3618 H2 TIP3 546 0.675 -25.992 42.379 0.00 0.00 WAT1 ATOM 3619 OH2 TIP3 547 13.838 -26.392 39.683 0.00 0.00 WAT1 ATOM 3620 H1 TIP3 547 14.583 -25.804 39.563 0.00 0.00 WAT1 ATOM 3621 H2 TIP3 547 13.081 -25.810 39.746 0.00 0.00 WAT1 ATOM 3622 OH2 TIP3 548 2.280 -29.078 42.287 0.00 0.00 WAT1 ATOM 3623 H1 TIP3 548 2.688 -29.935 42.166 0.00 0.00 WAT1 ATOM 3624 H2 TIP3 548 2.020 -29.063 43.208 0.00 0.00 WAT1 ATOM 3625 OH2 TIP3 549 11.247 -27.598 42.939 0.00 0.00 WAT1 ATOM 3626 H1 TIP3 549 12.200 -27.514 42.911 0.00 0.00 WAT1 ATOM 3627 H2 TIP3 549 11.087 -28.309 43.558 0.00 0.00 WAT1 ATOM 3628 OH2 TIP3 550 5.045 -31.516 42.655 0.00 0.00 WAT1 ATOM 3629 H1 TIP3 550 4.278 -32.048 42.445 0.00 0.00 WAT1 ATOM 3630 H2 TIP3 550 5.724 -31.826 42.056 0.00 0.00 WAT1 ATOM 3631 OH2 TIP3 551 3.226 -33.595 42.360 0.00 0.00 WAT1 ATOM 3632 H1 TIP3 551 3.437 -34.302 41.749 0.00 0.00 WAT1 ATOM 3633 H2 TIP3 551 3.114 -34.033 43.204 0.00 0.00 WAT1 ATOM 3634 OH2 TIP3 552 8.360 -35.911 43.393 0.00 0.00 WAT1 ATOM 3635 H1 TIP3 552 8.229 -36.387 42.572 0.00 0.00 WAT1 ATOM 3636 H2 TIP3 552 7.761 -35.167 43.337 0.00 0.00 WAT1 ATOM 3637 OH2 TIP3 553 16.557 -24.752 43.474 0.00 0.00 WAT1 ATOM 3638 H1 TIP3 553 15.691 -24.857 43.868 0.00 0.00 WAT1 ATOM 3639 H2 TIP3 553 16.933 -23.993 43.921 0.00 0.00 WAT1 ATOM 3640 OH2 TIP3 554 18.011 -25.657 35.760 0.00 0.00 WAT1 ATOM 3641 H1 TIP3 554 18.845 -26.035 35.479 0.00 0.00 WAT1 ATOM 3642 H2 TIP3 554 18.123 -24.714 35.641 0.00 0.00 WAT1 ATOM 3643 OH2 TIP3 555 16.895 -27.951 41.014 0.00 0.00 WAT1 ATOM 3644 H1 TIP3 555 17.478 -28.685 41.205 0.00 0.00 WAT1 ATOM 3645 H2 TIP3 555 17.459 -27.179 41.060 0.00 0.00 WAT1 ATOM 3646 OH2 TIP3 556 18.392 -30.048 41.698 0.00 0.00 WAT1 ATOM 3647 H1 TIP3 556 17.529 -30.427 41.533 0.00 0.00 WAT1 ATOM 3648 H2 TIP3 556 18.996 -30.787 41.624 0.00 0.00 WAT1 ATOM 3649 OH2 TIP3 557 0.672 -32.572 41.526 0.00 0.00 WAT1 ATOM 3650 H1 TIP3 557 1.591 -32.694 41.762 0.00 0.00 WAT1 ATOM 3651 H2 TIP3 557 0.222 -33.322 41.915 0.00 0.00 WAT1 ATOM 3652 OH2 TIP3 558 2.666 -23.090 42.029 0.00 0.00 WAT1 ATOM 3653 H1 TIP3 558 1.845 -22.915 41.569 0.00 0.00 WAT1 ATOM 3654 H2 TIP3 558 2.414 -23.163 42.950 0.00 0.00 WAT1 ATOM 3655 OH2 TIP3 559 9.931 -20.716 41.247 0.00 0.00 WAT1 ATOM 3656 H1 TIP3 559 10.116 -21.050 42.125 0.00 0.00 WAT1 ATOM 3657 H2 TIP3 559 10.778 -20.407 40.925 0.00 0.00 WAT1 ATOM 3658 OH2 TIP3 560 12.276 -19.431 40.491 0.00 0.00 WAT1 ATOM 3659 H1 TIP3 560 12.953 -20.063 40.251 0.00 0.00 WAT1 ATOM 3660 H2 TIP3 560 12.598 -19.029 41.299 0.00 0.00 WAT1 ATOM 3661 OH2 TIP3 561 3.022 -18.859 38.335 0.00 0.00 WAT1 ATOM 3662 H1 TIP3 561 2.302 -18.419 37.884 0.00 0.00 WAT1 ATOM 3663 H2 TIP3 561 2.656 -19.110 39.184 0.00 0.00 WAT1 ATOM 3664 OH2 TIP3 562 5.489 -19.259 37.365 0.00 0.00 WAT1 ATOM 3665 H1 TIP3 562 4.624 -19.187 37.769 0.00 0.00 WAT1 ATOM 3666 H2 TIP3 562 5.434 -18.712 36.581 0.00 0.00 WAT1 ATOM 3667 OH2 TIP3 563 10.200 -19.371 36.541 0.00 0.00 WAT1 ATOM 3668 H1 TIP3 563 9.743 -18.842 35.887 0.00 0.00 WAT1 ATOM 3669 H2 TIP3 563 10.363 -18.768 37.266 0.00 0.00 WAT1 ATOM 3670 OH2 TIP3 564 12.527 -20.493 37.486 0.00 0.00 WAT1 ATOM 3671 H1 TIP3 564 11.623 -20.328 37.220 0.00 0.00 WAT1 ATOM 3672 H2 TIP3 564 12.956 -19.640 37.420 0.00 0.00 WAT1 ATOM 3673 OH2 TIP3 565 16.479 -21.488 41.644 0.00 0.00 WAT1 ATOM 3674 H1 TIP3 565 15.697 -21.674 41.124 0.00 0.00 WAT1 ATOM 3675 H2 TIP3 565 16.407 -20.559 41.861 0.00 0.00 WAT1 ATOM 3676 OH2 TIP3 566 12.029 -27.602 50.530 0.00 0.00 WAT1 ATOM 3677 H1 TIP3 566 12.118 -26.658 50.398 0.00 0.00 WAT1 ATOM 3678 H2 TIP3 566 11.390 -27.877 49.872 0.00 0.00 WAT1 ATOM 3679 OH2 TIP3 567 13.369 -33.288 50.356 0.00 0.00 WAT1 ATOM 3680 H1 TIP3 567 14.015 -33.617 50.981 0.00 0.00 WAT1 ATOM 3681 H2 TIP3 567 13.879 -32.770 49.733 0.00 0.00 WAT1 ATOM 3682 OH2 TIP3 568 15.133 -33.997 52.337 0.00 0.00 WAT1 ATOM 3683 H1 TIP3 568 14.918 -34.763 52.869 0.00 0.00 WAT1 ATOM 3684 H2 TIP3 568 15.789 -33.525 52.850 0.00 0.00 WAT1 ATOM 3685 OH2 TIP3 569 10.750 -28.358 47.982 0.00 0.00 WAT1 ATOM 3686 H1 TIP3 569 10.038 -27.823 47.631 0.00 0.00 WAT1 ATOM 3687 H2 TIP3 569 11.441 -28.302 47.322 0.00 0.00 WAT1 ATOM 3688 OH2 TIP3 570 14.156 -28.148 48.934 0.00 0.00 WAT1 ATOM 3689 H1 TIP3 570 13.424 -27.920 49.507 0.00 0.00 WAT1 ATOM 3690 H2 TIP3 570 14.603 -28.862 49.389 0.00 0.00 WAT1 ATOM 3691 OH2 TIP3 571 13.027 -28.986 46.619 0.00 0.00 WAT1 ATOM 3692 H1 TIP3 571 13.606 -28.836 47.366 0.00 0.00 WAT1 ATOM 3693 H2 TIP3 571 13.441 -28.515 45.896 0.00 0.00 WAT1 ATOM 3694 OH2 TIP3 572 14.504 -27.953 44.249 0.00 0.00 WAT1 ATOM 3695 H1 TIP3 572 14.546 -28.176 43.319 0.00 0.00 WAT1 ATOM 3696 H2 TIP3 572 15.353 -27.555 44.439 0.00 0.00 WAT1 ATOM 3697 OH2 TIP3 573 5.840 -31.105 50.267 0.00 0.00 WAT1 ATOM 3698 H1 TIP3 573 4.947 -31.446 50.208 0.00 0.00 WAT1 ATOM 3699 H2 TIP3 573 6.291 -31.482 49.511 0.00 0.00 WAT1 ATOM 3700 OH2 TIP3 574 12.380 -31.243 51.898 0.00 0.00 WAT1 ATOM 3701 H1 TIP3 574 12.185 -30.638 51.183 0.00 0.00 WAT1 ATOM 3702 H2 TIP3 574 12.562 -32.077 51.463 0.00 0.00 WAT1 ATOM 3703 OH2 TIP3 575 6.959 -33.632 44.020 0.00 0.00 WAT1 ATOM 3704 H1 TIP3 575 6.528 -34.077 44.750 0.00 0.00 WAT1 ATOM 3705 H2 TIP3 575 6.241 -33.260 43.508 0.00 0.00 WAT1 ATOM 3706 OH2 TIP3 576 8.422 -33.678 51.353 0.00 0.00 WAT1 ATOM 3707 H1 TIP3 576 7.511 -33.621 51.642 0.00 0.00 WAT1 ATOM 3708 H2 TIP3 576 8.927 -33.738 52.164 0.00 0.00 WAT1 ATOM 3709 OH2 TIP3 577 6.903 -32.049 47.836 0.00 0.00 WAT1 ATOM 3710 H1 TIP3 577 7.835 -31.920 48.014 0.00 0.00 WAT1 ATOM 3711 H2 TIP3 577 6.688 -31.379 47.187 0.00 0.00 WAT1 ATOM 3712 OH2 TIP3 578 5.577 -30.854 45.403 0.00 0.00 WAT1 ATOM 3713 H1 TIP3 578 5.035 -31.234 44.712 0.00 0.00 WAT1 ATOM 3714 H2 TIP3 578 6.411 -30.660 44.974 0.00 0.00 WAT1 ATOM 3715 OH2 TIP3 579 9.742 -30.890 53.240 0.00 0.00 WAT1 ATOM 3716 H1 TIP3 579 10.306 -31.437 52.693 0.00 0.00 WAT1 ATOM 3717 H2 TIP3 579 9.594 -31.412 54.029 0.00 0.00 WAT1 ATOM 3718 OH2 TIP3 580 8.912 -26.289 47.339 0.00 0.00 WAT1 ATOM 3719 H1 TIP3 580 8.168 -26.796 47.016 0.00 0.00 WAT1 ATOM 3720 H2 TIP3 580 8.778 -26.240 48.285 0.00 0.00 WAT1 ATOM 3721 OH2 TIP3 581 11.038 -24.830 46.364 0.00 0.00 WAT1 ATOM 3722 H1 TIP3 581 10.743 -24.004 46.746 0.00 0.00 WAT1 ATOM 3723 H2 TIP3 581 10.335 -25.450 46.560 0.00 0.00 WAT1 ATOM 3724 OH2 TIP3 582 14.967 -25.963 47.405 0.00 0.00 WAT1 ATOM 3725 H1 TIP3 582 14.690 -26.691 47.961 0.00 0.00 WAT1 ATOM 3726 H2 TIP3 582 15.894 -25.844 47.611 0.00 0.00 WAT1 ATOM 3727 OH2 TIP3 583 8.192 -23.524 43.626 0.00 0.00 WAT1 ATOM 3728 H1 TIP3 583 8.431 -24.272 43.078 0.00 0.00 WAT1 ATOM 3729 H2 TIP3 583 7.923 -23.912 44.458 0.00 0.00 WAT1 ATOM 3730 OH2 TIP3 584 7.129 -23.954 46.082 0.00 0.00 WAT1 ATOM 3731 H1 TIP3 584 7.276 -24.474 46.872 0.00 0.00 WAT1 ATOM 3732 H2 TIP3 584 7.126 -23.047 46.388 0.00 0.00 WAT1 ATOM 3733 OH2 TIP3 585 10.282 -35.578 49.741 0.00 0.00 WAT1 ATOM 3734 H1 TIP3 585 9.935 -34.960 50.386 0.00 0.00 WAT1 ATOM 3735 H2 TIP3 585 10.940 -35.077 49.260 0.00 0.00 WAT1 ATOM 3736 OH2 TIP3 586 5.939 -34.515 46.429 0.00 0.00 WAT1 ATOM 3737 H1 TIP3 586 5.856 -33.626 46.775 0.00 0.00 WAT1 ATOM 3738 H2 TIP3 586 6.829 -34.780 46.660 0.00 0.00 WAT1 ATOM 3739 OH2 TIP3 587 14.740 -30.015 52.919 0.00 0.00 WAT1 ATOM 3740 H1 TIP3 587 13.943 -30.430 52.590 0.00 0.00 WAT1 ATOM 3741 H2 TIP3 587 15.185 -30.706 53.410 0.00 0.00 WAT1 ATOM 3742 OH2 TIP3 588 2.514 -31.423 44.605 0.00 0.00 WAT1 ATOM 3743 H1 TIP3 588 2.469 -30.484 44.784 0.00 0.00 WAT1 ATOM 3744 H2 TIP3 588 1.626 -31.659 44.335 0.00 0.00 WAT1 ATOM 3745 OH2 TIP3 589 10.230 -21.661 43.764 0.00 0.00 WAT1 ATOM 3746 H1 TIP3 589 9.586 -22.292 44.086 0.00 0.00 WAT1 ATOM 3747 H2 TIP3 589 10.992 -22.192 43.532 0.00 0.00 WAT1 ATOM 3748 OH2 TIP3 590 5.789 -25.934 43.855 0.00 0.00 WAT1 ATOM 3749 H1 TIP3 590 5.853 -26.728 44.386 0.00 0.00 WAT1 ATOM 3750 H2 TIP3 590 6.442 -26.053 43.166 0.00 0.00 WAT1 ATOM 3751 OH2 TIP3 591 11.141 -24.887 43.591 0.00 0.00 WAT1 ATOM 3752 H1 TIP3 591 10.873 -24.707 44.492 0.00 0.00 WAT1 ATOM 3753 H2 TIP3 591 10.935 -25.813 43.460 0.00 0.00 WAT1 ATOM 3754 OH2 TIP3 592 6.938 -27.962 46.161 0.00 0.00 WAT1 ATOM 3755 H1 TIP3 592 6.479 -28.446 46.847 0.00 0.00 WAT1 ATOM 3756 H2 TIP3 592 7.193 -28.630 45.525 0.00 0.00 WAT1 ATOM 3757 OH2 TIP3 593 17.399 -27.364 43.869 0.00 0.00 WAT1 ATOM 3758 H1 TIP3 593 17.126 -27.789 43.056 0.00 0.00 WAT1 ATOM 3759 H2 TIP3 593 17.439 -26.433 43.652 0.00 0.00 WAT1 ATOM 3760 OH2 TIP3 594 17.858 -26.495 47.844 0.00 0.00 WAT1 ATOM 3761 H1 TIP3 594 18.708 -26.074 47.972 0.00 0.00 WAT1 ATOM 3762 H2 TIP3 594 17.863 -27.235 48.452 0.00 0.00 WAT1 ATOM 3763 OH2 TIP3 595 18.252 -28.442 49.668 0.00 0.00 WAT1 ATOM 3764 H1 TIP3 595 17.526 -28.921 50.066 0.00 0.00 WAT1 ATOM 3765 H2 TIP3 595 18.833 -28.236 50.400 0.00 0.00 WAT1 ATOM 3766 OH2 TIP3 596 18.520 -28.541 46.059 0.00 0.00 WAT1 ATOM 3767 H1 TIP3 596 17.999 -28.184 45.340 0.00 0.00 WAT1 ATOM 3768 H2 TIP3 596 18.487 -27.866 46.737 0.00 0.00 WAT1 ATOM 3769 OH2 TIP3 597 16.039 -29.921 50.231 0.00 0.00 WAT1 ATOM 3770 H1 TIP3 597 15.889 -30.866 50.211 0.00 0.00 WAT1 ATOM 3771 H2 TIP3 597 15.685 -29.640 51.075 0.00 0.00 WAT1 ATOM 3772 OH2 TIP3 598 10.624 -35.392 52.750 0.00 0.00 WAT1 ATOM 3773 H1 TIP3 598 9.949 -36.021 53.005 0.00 0.00 WAT1 ATOM 3774 H2 TIP3 598 11.188 -35.876 52.147 0.00 0.00 WAT1 ATOM 3775 OH2 TIP3 599 15.766 -37.285 52.862 0.00 0.00 WAT1 ATOM 3776 H1 TIP3 599 16.370 -36.737 52.361 0.00 0.00 WAT1 ATOM 3777 H2 TIP3 599 14.897 -36.965 52.622 0.00 0.00 WAT1 ATOM 3778 OH2 TIP3 600 17.493 -36.146 51.196 0.00 0.00 WAT1 ATOM 3779 H1 TIP3 600 18.105 -36.660 50.669 0.00 0.00 WAT1 ATOM 3780 H2 TIP3 600 17.876 -35.268 51.219 0.00 0.00 WAT1 ATOM 3781 OH2 TIP3 601 1.787 -36.960 46.375 0.00 0.00 WAT1 ATOM 3782 H1 TIP3 601 2.226 -36.349 45.784 0.00 0.00 WAT1 ATOM 3783 H2 TIP3 601 1.153 -36.422 46.849 0.00 0.00 WAT1 ATOM 3784 OH2 TIP3 602 7.530 -36.831 50.385 0.00 0.00 WAT1 ATOM 3785 H1 TIP3 602 8.404 -36.443 50.355 0.00 0.00 WAT1 ATOM 3786 H2 TIP3 602 7.394 -37.046 51.308 0.00 0.00 WAT1 ATOM 3787 OH2 TIP3 603 13.087 -36.801 52.034 0.00 0.00 WAT1 ATOM 3788 H1 TIP3 603 13.163 -36.706 51.085 0.00 0.00 WAT1 ATOM 3789 H2 TIP3 603 12.811 -37.709 52.163 0.00 0.00 WAT1 ATOM 3790 OH2 TIP3 604 3.648 -35.044 44.818 0.00 0.00 WAT1 ATOM 3791 H1 TIP3 604 4.139 -35.674 44.290 0.00 0.00 WAT1 ATOM 3792 H2 TIP3 604 4.271 -34.748 45.481 0.00 0.00 WAT1 ATOM 3793 OH2 TIP3 605 12.029 -8.746 -6.038 0.00 0.00 WAT1 ATOM 3794 H1 TIP3 605 12.118 -7.802 -6.170 0.00 0.00 WAT1 ATOM 3795 H2 TIP3 605 11.390 -9.021 -6.696 0.00 0.00 WAT1 ATOM 3796 OH2 TIP3 606 10.962 -9.491 -2.619 0.00 0.00 WAT1 ATOM 3797 H1 TIP3 606 10.924 -10.137 -1.914 0.00 0.00 WAT1 ATOM 3798 H2 TIP3 606 10.639 -9.957 -3.390 0.00 0.00 WAT1 ATOM 3799 OH2 TIP3 607 3.330 -9.876 -1.026 0.00 0.00 WAT1 ATOM 3800 H1 TIP3 607 3.372 -10.502 -0.302 0.00 0.00 WAT1 ATOM 3801 H2 TIP3 607 4.033 -9.253 -0.844 0.00 0.00 WAT1 ATOM 3802 OH2 TIP3 608 9.351 -7.058 -2.213 0.00 0.00 WAT1 ATOM 3803 H1 TIP3 608 9.655 -7.744 -2.807 0.00 0.00 WAT1 ATOM 3804 H2 TIP3 608 10.073 -6.940 -1.595 0.00 0.00 WAT1 ATOM 3805 OH2 TIP3 609 18.014 -15.457 -1.352 0.00 0.00 WAT1 ATOM 3806 H1 TIP3 609 18.063 -14.847 -0.616 0.00 0.00 WAT1 ATOM 3807 H2 TIP3 609 18.440 -14.996 -2.075 0.00 0.00 WAT1 ATOM 3808 OH2 TIP3 610 5.647 -14.563 -4.613 0.00 0.00 WAT1 ATOM 3809 H1 TIP3 610 5.690 -13.703 -5.031 0.00 0.00 WAT1 ATOM 3810 H2 TIP3 610 5.189 -15.115 -5.246 0.00 0.00 WAT1 ATOM 3811 OH2 TIP3 611 13.369 -14.432 -6.212 0.00 0.00 WAT1 ATOM 3812 H1 TIP3 611 14.015 -14.761 -5.587 0.00 0.00 WAT1 ATOM 3813 H2 TIP3 611 13.879 -13.914 -6.835 0.00 0.00 WAT1 ATOM 3814 OH2 TIP3 612 7.423 -10.616 -4.635 0.00 0.00 WAT1 ATOM 3815 H1 TIP3 612 8.039 -11.142 -4.126 0.00 0.00 WAT1 ATOM 3816 H2 TIP3 612 6.837 -11.256 -5.039 0.00 0.00 WAT1 ATOM 3817 OH2 TIP3 613 18.406 -13.979 0.884 0.00 0.00 WAT1 ATOM 3818 H1 TIP3 613 17.717 -13.321 0.789 0.00 0.00 WAT1 ATOM 3819 H2 TIP3 613 18.421 -14.176 1.821 0.00 0.00 WAT1 ATOM 3820 OH2 TIP3 614 7.026 -7.969 -0.251 0.00 0.00 WAT1 ATOM 3821 H1 TIP3 614 6.286 -7.371 -0.148 0.00 0.00 WAT1 ATOM 3822 H2 TIP3 614 7.740 -7.415 -0.567 0.00 0.00 WAT1 ATOM 3823 OH2 TIP3 615 15.133 -15.141 -4.231 0.00 0.00 WAT1 ATOM 3824 H1 TIP3 615 14.918 -15.907 -3.699 0.00 0.00 WAT1 ATOM 3825 H2 TIP3 615 15.789 -14.669 -3.718 0.00 0.00 WAT1 ATOM 3826 OH2 TIP3 616 4.051 -13.753 -2.586 0.00 0.00 WAT1 ATOM 3827 H1 TIP3 616 4.664 -13.120 -2.213 0.00 0.00 WAT1 ATOM 3828 H2 TIP3 616 4.563 -14.225 -3.243 0.00 0.00 WAT1 ATOM 3829 OH2 TIP3 617 15.480 -16.426 -0.552 0.00 0.00 WAT1 ATOM 3830 H1 TIP3 617 14.744 -15.815 -0.590 0.00 0.00 WAT1 ATOM 3831 H2 TIP3 617 16.164 -16.011 -1.078 0.00 0.00 WAT1 ATOM 3832 OH2 TIP3 618 14.053 -11.118 1.434 0.00 0.00 WAT1 ATOM 3833 H1 TIP3 618 14.133 -10.355 2.006 0.00 0.00 WAT1 ATOM 3834 H2 TIP3 618 13.452 -10.839 0.743 0.00 0.00 WAT1 ATOM 3835 OH2 TIP3 619 5.801 -8.662 -5.751 0.00 0.00 WAT1 ATOM 3836 H1 TIP3 619 5.471 -9.032 -6.570 0.00 0.00 WAT1 ATOM 3837 H2 TIP3 619 6.389 -9.332 -5.405 0.00 0.00 WAT1 ATOM 3838 OH2 TIP3 620 6.168 -9.893 -2.118 0.00 0.00 WAT1 ATOM 3839 H1 TIP3 620 6.733 -9.772 -2.881 0.00 0.00 WAT1 ATOM 3840 H2 TIP3 620 6.487 -9.256 -1.479 0.00 0.00 WAT1 ATOM 3841 OH2 TIP3 621 3.968 -9.296 1.828 0.00 0.00 WAT1 ATOM 3842 H1 TIP3 621 4.038 -8.645 2.526 0.00 0.00 WAT1 ATOM 3843 H2 TIP3 621 3.077 -9.193 1.493 0.00 0.00 WAT1 ATOM 3844 OH2 TIP3 622 15.984 -12.290 3.699 0.00 0.00 WAT1 ATOM 3845 H1 TIP3 622 15.577 -11.809 2.979 0.00 0.00 WAT1 ATOM 3846 H2 TIP3 622 16.025 -13.195 3.392 0.00 0.00 WAT1 ATOM 3847 OH2 TIP3 623 5.843 -12.470 -1.213 0.00 0.00 WAT1 ATOM 3848 H1 TIP3 623 5.201 -12.511 -0.504 0.00 0.00 WAT1 ATOM 3849 H2 TIP3 623 5.880 -11.544 -1.451 0.00 0.00 WAT1 ATOM 3850 OH2 TIP3 624 5.840 -12.249 -6.301 0.00 0.00 WAT1 ATOM 3851 H1 TIP3 624 4.947 -12.590 -6.360 0.00 0.00 WAT1 ATOM 3852 H2 TIP3 624 6.291 -12.626 -7.057 0.00 0.00 WAT1 ATOM 3853 OH2 TIP3 625 11.376 -11.833 -7.484 0.00 0.00 WAT1 ATOM 3854 H1 TIP3 625 10.967 -11.018 -7.776 0.00 0.00 WAT1 ATOM 3855 H2 TIP3 625 12.096 -11.973 -8.099 0.00 0.00 WAT1 ATOM 3856 OH2 TIP3 626 12.380 -12.387 -4.670 0.00 0.00 WAT1 ATOM 3857 H1 TIP3 626 12.185 -11.782 -5.385 0.00 0.00 WAT1 ATOM 3858 H2 TIP3 626 12.562 -13.221 -5.105 0.00 0.00 WAT1 ATOM 3859 OH2 TIP3 627 3.593 -12.150 0.654 0.00 0.00 WAT1 ATOM 3860 H1 TIP3 627 3.555 -11.750 1.522 0.00 0.00 WAT1 ATOM 3861 H2 TIP3 627 3.102 -12.967 0.744 0.00 0.00 WAT1 ATOM 3862 OH2 TIP3 628 11.644 -10.749 0.001 0.00 0.00 WAT1 ATOM 3863 H1 TIP3 628 11.968 -11.380 -0.642 0.00 0.00 WAT1 ATOM 3864 H2 TIP3 628 11.204 -11.284 0.662 0.00 0.00 WAT1 ATOM 3865 OH2 TIP3 629 8.422 -14.822 -5.215 0.00 0.00 WAT1 ATOM 3866 H1 TIP3 629 7.511 -14.765 -4.926 0.00 0.00 WAT1 ATOM 3867 H2 TIP3 629 8.927 -14.882 -4.404 0.00 0.00 WAT1 ATOM 3868 OH2 TIP3 630 6.903 -13.193 -8.732 0.00 0.00 WAT1 ATOM 3869 H1 TIP3 630 7.835 -13.064 -8.554 0.00 0.00 WAT1 ATOM 3870 H2 TIP3 630 6.688 -12.523 -9.381 0.00 0.00 WAT1 ATOM 3871 OH2 TIP3 631 4.744 -15.898 -6.910 0.00 0.00 WAT1 ATOM 3872 H1 TIP3 631 4.427 -16.800 -6.945 0.00 0.00 WAT1 ATOM 3873 H2 TIP3 631 5.525 -15.896 -7.462 0.00 0.00 WAT1 ATOM 3874 OH2 TIP3 632 10.432 -7.249 2.008 0.00 0.00 WAT1 ATOM 3875 H1 TIP3 632 10.086 -7.630 2.814 0.00 0.00 WAT1 ATOM 3876 H2 TIP3 632 10.232 -6.315 2.079 0.00 0.00 WAT1 ATOM 3877 OH2 TIP3 633 8.062 -10.160 4.068 0.00 0.00 WAT1 ATOM 3878 H1 TIP3 633 7.766 -10.326 3.173 0.00 0.00 WAT1 ATOM 3879 H2 TIP3 633 8.993 -10.380 4.058 0.00 0.00 WAT1 ATOM 3880 OH2 TIP3 634 13.869 -8.948 -2.188 0.00 0.00 WAT1 ATOM 3881 H1 TIP3 634 12.941 -9.180 -2.215 0.00 0.00 WAT1 ATOM 3882 H2 TIP3 634 14.320 -9.725 -2.518 0.00 0.00 WAT1 ATOM 3883 OH2 TIP3 635 11.898 -6.709 -0.463 0.00 0.00 WAT1 ATOM 3884 H1 TIP3 635 11.472 -6.936 0.363 0.00 0.00 WAT1 ATOM 3885 H2 TIP3 635 12.479 -7.447 -0.646 0.00 0.00 WAT1 ATOM 3886 OH2 TIP3 636 2.679 -14.924 1.413 0.00 0.00 WAT1 ATOM 3887 H1 TIP3 636 1.786 -14.585 1.346 0.00 0.00 WAT1 ATOM 3888 H2 TIP3 636 2.580 -15.779 1.831 0.00 0.00 WAT1 ATOM 3889 OH2 TIP3 637 12.198 -15.531 -8.600 0.00 0.00 WAT1 ATOM 3890 H1 TIP3 637 12.418 -15.059 -9.403 0.00 0.00 WAT1 ATOM 3891 H2 TIP3 637 12.756 -15.136 -7.929 0.00 0.00 WAT1 ATOM 3892 OH2 TIP3 638 9.398 -13.803 -7.765 0.00 0.00 WAT1 ATOM 3893 H1 TIP3 638 10.210 -13.299 -7.719 0.00 0.00 WAT1 ATOM 3894 H2 TIP3 638 9.153 -13.948 -6.851 0.00 0.00 WAT1 ATOM 3895 OH2 TIP3 639 10.282 -16.722 -6.827 0.00 0.00 WAT1 ATOM 3896 H1 TIP3 639 9.935 -16.104 -6.182 0.00 0.00 WAT1 ATOM 3897 H2 TIP3 639 10.940 -16.221 -7.308 0.00 0.00 WAT1 ATOM 3898 OH2 TIP3 640 16.138 -14.910 2.255 0.00 0.00 WAT1 ATOM 3899 H1 TIP3 640 15.222 -14.647 2.167 0.00 0.00 WAT1 ATOM 3900 H2 TIP3 640 16.474 -14.913 1.358 0.00 0.00 WAT1 ATOM 3901 OH2 TIP3 641 14.740 -11.159 -3.649 0.00 0.00 WAT1 ATOM 3902 H1 TIP3 641 13.943 -11.574 -3.978 0.00 0.00 WAT1 ATOM 3903 H2 TIP3 641 15.185 -11.850 -3.158 0.00 0.00 WAT1 ATOM 3904 OH2 TIP3 642 8.103 -7.452 4.588 0.00 0.00 WAT1 ATOM 3905 H1 TIP3 642 7.775 -7.181 3.730 0.00 0.00 WAT1 ATOM 3906 H2 TIP3 642 8.255 -8.393 4.500 0.00 0.00 WAT1 ATOM 3907 OH2 TIP3 643 2.280 -10.222 4.575 0.00 0.00 WAT1 ATOM 3908 H1 TIP3 643 2.688 -11.079 4.454 0.00 0.00 WAT1 ATOM 3909 H2 TIP3 643 2.020 -10.207 5.496 0.00 0.00 WAT1 ATOM 3910 OH2 TIP3 644 6.227 -11.213 1.949 0.00 0.00 WAT1 ATOM 3911 H1 TIP3 644 5.609 -10.538 2.230 0.00 0.00 WAT1 ATOM 3912 H2 TIP3 644 6.571 -10.892 1.116 0.00 0.00 WAT1 ATOM 3913 OH2 TIP3 645 11.247 -8.742 5.227 0.00 0.00 WAT1 ATOM 3914 H1 TIP3 645 12.200 -8.658 5.199 0.00 0.00 WAT1 ATOM 3915 H2 TIP3 645 11.087 -9.453 5.846 0.00 0.00 WAT1 ATOM 3916 OH2 TIP3 646 8.561 -10.049 0.764 0.00 0.00 WAT1 ATOM 3917 H1 TIP3 646 9.312 -10.205 0.191 0.00 0.00 WAT1 ATOM 3918 H2 TIP3 646 8.222 -9.197 0.488 0.00 0.00 WAT1 ATOM 3919 OH2 TIP3 647 14.293 -9.445 3.870 0.00 0.00 WAT1 ATOM 3920 H1 TIP3 647 14.012 -8.736 3.292 0.00 0.00 WAT1 ATOM 3921 H2 TIP3 647 15.236 -9.518 3.719 0.00 0.00 WAT1 ATOM 3922 OH2 TIP3 648 18.392 -11.192 3.986 0.00 0.00 WAT1 ATOM 3923 H1 TIP3 648 17.529 -11.571 3.821 0.00 0.00 WAT1 ATOM 3924 H2 TIP3 648 18.996 -11.931 3.912 0.00 0.00 WAT1 ATOM 3925 OH2 TIP3 649 16.361 -12.901 -2.439 0.00 0.00 WAT1 ATOM 3926 H1 TIP3 649 17.294 -12.689 -2.473 0.00 0.00 WAT1 ATOM 3927 H2 TIP3 649 16.126 -12.799 -1.516 0.00 0.00 WAT1 ATOM 3928 OH2 TIP3 650 16.390 -12.164 0.337 0.00 0.00 WAT1 ATOM 3929 H1 TIP3 650 15.547 -11.896 0.703 0.00 0.00 WAT1 ATOM 3930 H2 TIP3 650 16.833 -11.342 0.126 0.00 0.00 WAT1 ATOM 3931 OH2 TIP3 651 0.672 -13.716 3.814 0.00 0.00 WAT1 ATOM 3932 H1 TIP3 651 1.591 -13.838 4.050 0.00 0.00 WAT1 ATOM 3933 H2 TIP3 651 0.222 -14.466 4.203 0.00 0.00 WAT1 ATOM 3934 OH2 TIP3 652 1.893 -15.404 -3.295 0.00 0.00 WAT1 ATOM 3935 H1 TIP3 652 2.338 -16.196 -2.993 0.00 0.00 WAT1 ATOM 3936 H2 TIP3 652 2.359 -14.688 -2.864 0.00 0.00 WAT1 ATOM 3937 OH2 TIP3 653 15.766 -18.429 -3.706 0.00 0.00 WAT1 ATOM 3938 H1 TIP3 653 16.370 -17.881 -4.207 0.00 0.00 WAT1 ATOM 3939 H2 TIP3 653 14.897 -18.109 -3.946 0.00 0.00 WAT1 ATOM 3940 OH2 TIP3 654 2.950 -17.902 -5.996 0.00 0.00 WAT1 ATOM 3941 H1 TIP3 654 2.173 -18.136 -6.504 0.00 0.00 WAT1 ATOM 3942 H2 TIP3 654 3.481 -18.699 -5.988 0.00 0.00 WAT1 ATOM 3943 OH2 TIP3 655 7.530 -17.975 -6.183 0.00 0.00 WAT1 ATOM 3944 H1 TIP3 655 8.404 -17.587 -6.213 0.00 0.00 WAT1 ATOM 3945 H2 TIP3 655 7.394 -18.190 -5.260 0.00 0.00 WAT1 ATOM 3946 OH2 TIP3 656 13.087 -17.945 -4.534 0.00 0.00 WAT1 ATOM 3947 H1 TIP3 656 13.163 -17.850 -5.483 0.00 0.00 WAT1 ATOM 3948 H2 TIP3 656 12.811 -18.853 -4.405 0.00 0.00 WAT1 ATOM 3949 OH2 TIP3 657 8.674 -15.895 -9.293 0.00 0.00 WAT1 ATOM 3950 H1 TIP3 657 8.852 -16.541 -8.610 0.00 0.00 WAT1 ATOM 3951 H2 TIP3 657 8.620 -15.061 -8.826 0.00 0.00 WAT1 ATOM 3952 OH2 TIP3 658 12.029 -8.746 12.818 0.00 0.00 WAT1 ATOM 3953 H1 TIP3 658 12.118 -7.802 12.686 0.00 0.00 WAT1 ATOM 3954 H2 TIP3 658 11.390 -9.021 12.160 0.00 0.00 WAT1 ATOM 3955 OH2 TIP3 659 10.962 -9.491 16.237 0.00 0.00 WAT1 ATOM 3956 H1 TIP3 659 10.924 -10.137 16.942 0.00 0.00 WAT1 ATOM 3957 H2 TIP3 659 10.639 -9.957 15.466 0.00 0.00 WAT1 ATOM 3958 OH2 TIP3 660 3.330 -9.876 17.830 0.00 0.00 WAT1 ATOM 3959 H1 TIP3 660 3.372 -10.502 18.554 0.00 0.00 WAT1 ATOM 3960 H2 TIP3 660 4.033 -9.253 18.012 0.00 0.00 WAT1 ATOM 3961 OH2 TIP3 661 14.668 -6.552 14.539 0.00 0.00 WAT1 ATOM 3962 H1 TIP3 661 14.227 -7.272 14.989 0.00 0.00 WAT1 ATOM 3963 H2 TIP3 661 14.655 -5.831 15.169 0.00 0.00 WAT1 ATOM 3964 OH2 TIP3 662 0.864 -11.766 11.758 0.00 0.00 WAT1 ATOM 3965 H1 TIP3 662 0.416 -10.920 11.740 0.00 0.00 WAT1 ATOM 3966 H2 TIP3 662 0.303 -12.346 11.243 0.00 0.00 WAT1 ATOM 3967 OH2 TIP3 663 1.574 -9.604 13.884 0.00 0.00 WAT1 ATOM 3968 H1 TIP3 663 1.788 -10.374 14.411 0.00 0.00 WAT1 ATOM 3969 H2 TIP3 663 2.312 -9.515 13.281 0.00 0.00 WAT1 ATOM 3970 OH2 TIP3 664 9.351 -7.058 16.643 0.00 0.00 WAT1 ATOM 3971 H1 TIP3 664 9.655 -7.744 16.049 0.00 0.00 WAT1 ATOM 3972 H2 TIP3 664 10.073 -6.940 17.261 0.00 0.00 WAT1 ATOM 3973 OH2 TIP3 665 12.492 -12.664 16.971 0.00 0.00 WAT1 ATOM 3974 H1 TIP3 665 12.635 -13.611 16.991 0.00 0.00 WAT1 ATOM 3975 H2 TIP3 665 12.386 -12.457 16.042 0.00 0.00 WAT1 ATOM 3976 OH2 TIP3 666 2.267 -12.166 15.005 0.00 0.00 WAT1 ATOM 3977 H1 TIP3 666 2.921 -12.716 15.437 0.00 0.00 WAT1 ATOM 3978 H2 TIP3 666 2.291 -12.440 14.089 0.00 0.00 WAT1 ATOM 3979 OH2 TIP3 667 18.406 -13.979 19.740 0.00 0.00 WAT1 ATOM 3980 H1 TIP3 667 17.717 -13.321 19.645 0.00 0.00 WAT1 ATOM 3981 H2 TIP3 667 18.421 -14.176 20.677 0.00 0.00 WAT1 ATOM 3982 OH2 TIP3 668 4.457 -15.645 18.317 0.00 0.00 WAT1 ATOM 3983 H1 TIP3 668 4.238 -15.115 17.551 0.00 0.00 WAT1 ATOM 3984 H2 TIP3 668 3.789 -15.418 18.965 0.00 0.00 WAT1 ATOM 3985 OH2 TIP3 669 11.826 -6.145 11.861 0.00 0.00 WAT1 ATOM 3986 H1 TIP3 669 11.530 -6.467 11.010 0.00 0.00 WAT1 ATOM 3987 H2 TIP3 669 11.502 -5.245 11.903 0.00 0.00 WAT1 ATOM 3988 OH2 TIP3 670 7.026 -7.969 18.605 0.00 0.00 WAT1 ATOM 3989 H1 TIP3 670 6.286 -7.371 18.708 0.00 0.00 WAT1 ATOM 3990 H2 TIP3 670 7.740 -7.415 18.289 0.00 0.00 WAT1 ATOM 3991 OH2 TIP3 671 18.119 -10.124 18.564 0.00 0.00 WAT1 ATOM 3992 H1 TIP3 671 17.467 -9.429 18.653 0.00 0.00 WAT1 ATOM 3993 H2 TIP3 671 18.584 -9.914 17.754 0.00 0.00 WAT1 ATOM 3994 OH2 TIP3 672 14.156 -9.292 11.222 0.00 0.00 WAT1 ATOM 3995 H1 TIP3 672 13.424 -9.064 11.795 0.00 0.00 WAT1 ATOM 3996 H2 TIP3 672 14.603 -10.006 11.677 0.00 0.00 WAT1 ATOM 3997 OH2 TIP3 673 14.053 -11.118 20.290 0.00 0.00 WAT1 ATOM 3998 H1 TIP3 673 14.133 -10.355 20.862 0.00 0.00 WAT1 ATOM 3999 H2 TIP3 673 13.452 -10.839 19.599 0.00 0.00 WAT1 ATOM 4000 OH2 TIP3 674 5.801 -8.662 13.105 0.00 0.00 WAT1 ATOM 4001 H1 TIP3 674 5.471 -9.032 12.286 0.00 0.00 WAT1 ATOM 4002 H2 TIP3 674 6.389 -9.332 13.451 0.00 0.00 WAT1 ATOM 4003 OH2 TIP3 675 7.168 -5.234 15.786 0.00 0.00 WAT1 ATOM 4004 H1 TIP3 675 7.073 -5.812 15.029 0.00 0.00 WAT1 ATOM 4005 H2 TIP3 675 7.897 -5.605 16.282 0.00 0.00 WAT1 ATOM 4006 OH2 TIP3 676 6.168 -9.893 16.738 0.00 0.00 WAT1 ATOM 4007 H1 TIP3 676 6.733 -9.772 15.975 0.00 0.00 WAT1 ATOM 4008 H2 TIP3 676 6.487 -9.256 17.377 0.00 0.00 WAT1 ATOM 4009 OH2 TIP3 677 13.027 -10.130 8.907 0.00 0.00 WAT1 ATOM 4010 H1 TIP3 677 13.606 -9.980 9.654 0.00 0.00 WAT1 ATOM 4011 H2 TIP3 677 13.441 -9.659 8.184 0.00 0.00 WAT1 ATOM 4012 OH2 TIP3 678 3.968 -9.296 20.684 0.00 0.00 WAT1 ATOM 4013 H1 TIP3 678 4.038 -8.645 21.382 0.00 0.00 WAT1 ATOM 4014 H2 TIP3 678 3.077 -9.193 20.349 0.00 0.00 WAT1 ATOM 4015 OH2 TIP3 679 4.791 -9.592 10.694 0.00 0.00 WAT1 ATOM 4016 H1 TIP3 679 4.499 -8.824 10.203 0.00 0.00 WAT1 ATOM 4017 H2 TIP3 679 4.117 -10.252 10.531 0.00 0.00 WAT1 ATOM 4018 OH2 TIP3 680 15.984 -12.290 22.555 0.00 0.00 WAT1 ATOM 4019 H1 TIP3 680 15.577 -11.809 21.835 0.00 0.00 WAT1 ATOM 4020 H2 TIP3 680 16.025 -13.195 22.248 0.00 0.00 WAT1 ATOM 4021 OH2 TIP3 681 14.504 -9.097 6.537 0.00 0.00 WAT1 ATOM 4022 H1 TIP3 681 14.546 -9.320 5.607 0.00 0.00 WAT1 ATOM 4023 H2 TIP3 681 15.353 -8.699 6.727 0.00 0.00 WAT1 ATOM 4024 OH2 TIP3 682 5.843 -12.470 17.643 0.00 0.00 WAT1 ATOM 4025 H1 TIP3 682 5.201 -12.511 18.352 0.00 0.00 WAT1 ATOM 4026 H2 TIP3 682 5.880 -11.544 17.405 0.00 0.00 WAT1 ATOM 4027 OH2 TIP3 683 3.593 -12.150 19.510 0.00 0.00 WAT1 ATOM 4028 H1 TIP3 683 3.555 -11.750 20.378 0.00 0.00 WAT1 ATOM 4029 H2 TIP3 683 3.102 -12.967 19.600 0.00 0.00 WAT1 ATOM 4030 OH2 TIP3 684 1.476 -14.288 8.784 0.00 0.00 WAT1 ATOM 4031 H1 TIP3 684 1.950 -13.697 8.199 0.00 0.00 WAT1 ATOM 4032 H2 TIP3 684 0.758 -13.757 9.131 0.00 0.00 WAT1 ATOM 4033 OH2 TIP3 685 11.644 -10.749 18.857 0.00 0.00 WAT1 ATOM 4034 H1 TIP3 685 11.968 -11.380 18.214 0.00 0.00 WAT1 ATOM 4035 H2 TIP3 685 11.204 -11.284 19.518 0.00 0.00 WAT1 ATOM 4036 OH2 TIP3 686 5.577 -11.998 7.691 0.00 0.00 WAT1 ATOM 4037 H1 TIP3 686 5.035 -12.378 7.000 0.00 0.00 WAT1 ATOM 4038 H2 TIP3 686 6.411 -11.804 7.262 0.00 0.00 WAT1 ATOM 4039 OH2 TIP3 687 3.712 -7.441 22.790 0.00 0.00 WAT1 ATOM 4040 H1 TIP3 687 4.445 -7.187 23.351 0.00 0.00 WAT1 ATOM 4041 H2 TIP3 687 2.932 -7.237 23.305 0.00 0.00 WAT1 ATOM 4042 OH2 TIP3 688 8.368 -13.646 17.942 0.00 0.00 WAT1 ATOM 4043 H1 TIP3 688 7.533 -13.192 18.052 0.00 0.00 WAT1 ATOM 4044 H2 TIP3 688 8.892 -13.370 18.694 0.00 0.00 WAT1 ATOM 4045 OH2 TIP3 689 8.912 -7.433 9.627 0.00 0.00 WAT1 ATOM 4046 H1 TIP3 689 8.168 -7.940 9.304 0.00 0.00 WAT1 ATOM 4047 H2 TIP3 689 8.778 -7.384 10.573 0.00 0.00 WAT1 ATOM 4048 OH2 TIP3 690 16.062 -8.300 18.413 0.00 0.00 WAT1 ATOM 4049 H1 TIP3 690 16.704 -7.843 17.870 0.00 0.00 WAT1 ATOM 4050 H2 TIP3 690 15.232 -8.187 17.951 0.00 0.00 WAT1 ATOM 4051 OH2 TIP3 691 10.432 -7.249 20.864 0.00 0.00 WAT1 ATOM 4052 H1 TIP3 691 10.086 -7.630 21.670 0.00 0.00 WAT1 ATOM 4053 H2 TIP3 691 10.232 -6.315 20.935 0.00 0.00 WAT1 ATOM 4054 OH2 TIP3 692 13.528 -12.752 9.487 0.00 0.00 WAT1 ATOM 4055 H1 TIP3 692 14.420 -12.889 9.806 0.00 0.00 WAT1 ATOM 4056 H2 TIP3 692 13.585 -11.961 8.950 0.00 0.00 WAT1 ATOM 4057 OH2 TIP3 693 4.037 -8.138 15.396 0.00 0.00 WAT1 ATOM 4058 H1 TIP3 693 4.782 -8.140 14.795 0.00 0.00 WAT1 ATOM 4059 H2 TIP3 693 4.115 -8.962 15.878 0.00 0.00 WAT1 ATOM 4060 OH2 TIP3 694 11.038 -5.974 8.652 0.00 0.00 WAT1 ATOM 4061 H1 TIP3 694 10.743 -5.148 9.034 0.00 0.00 WAT1 ATOM 4062 H2 TIP3 694 10.335 -6.594 8.848 0.00 0.00 WAT1 ATOM 4063 OH2 TIP3 695 8.062 -10.160 22.924 0.00 0.00 WAT1 ATOM 4064 H1 TIP3 695 7.766 -10.326 22.029 0.00 0.00 WAT1 ATOM 4065 H2 TIP3 695 8.993 -10.380 22.914 0.00 0.00 WAT1 ATOM 4066 OH2 TIP3 696 18.413 -12.542 9.181 0.00 0.00 WAT1 ATOM 4067 H1 TIP3 696 17.859 -12.938 8.509 0.00 0.00 WAT1 ATOM 4068 H2 TIP3 696 18.514 -11.632 8.904 0.00 0.00 WAT1 ATOM 4069 OH2 TIP3 697 18.377 -6.742 22.018 0.00 0.00 WAT1 ATOM 4070 H1 TIP3 697 17.525 -6.504 21.651 0.00 0.00 WAT1 ATOM 4071 H2 TIP3 697 18.967 -6.759 21.265 0.00 0.00 WAT1 ATOM 4072 OH2 TIP3 698 13.869 -8.948 16.668 0.00 0.00 WAT1 ATOM 4073 H1 TIP3 698 12.941 -9.180 16.641 0.00 0.00 WAT1 ATOM 4074 H2 TIP3 698 14.320 -9.725 16.338 0.00 0.00 WAT1 ATOM 4075 OH2 TIP3 699 6.412 -4.620 12.801 0.00 0.00 WAT1 ATOM 4076 H1 TIP3 699 6.939 -3.847 12.600 0.00 0.00 WAT1 ATOM 4077 H2 TIP3 699 5.532 -4.395 12.499 0.00 0.00 WAT1 ATOM 4078 OH2 TIP3 700 2.167 -9.758 7.388 0.00 0.00 WAT1 ATOM 4079 H1 TIP3 700 2.783 -9.131 7.767 0.00 0.00 WAT1 ATOM 4080 H2 TIP3 700 1.305 -9.442 7.659 0.00 0.00 WAT1 ATOM 4081 OH2 TIP3 701 7.839 -6.957 12.377 0.00 0.00 WAT1 ATOM 4082 H1 TIP3 701 7.598 -6.032 12.419 0.00 0.00 WAT1 ATOM 4083 H2 TIP3 701 7.099 -7.416 12.773 0.00 0.00 WAT1 ATOM 4084 OH2 TIP3 702 11.898 -6.709 18.393 0.00 0.00 WAT1 ATOM 4085 H1 TIP3 702 11.472 -6.936 19.219 0.00 0.00 WAT1 ATOM 4086 H2 TIP3 702 12.479 -7.447 18.210 0.00 0.00 WAT1 ATOM 4087 OH2 TIP3 703 2.679 -14.924 20.269 0.00 0.00 WAT1 ATOM 4088 H1 TIP3 703 1.786 -14.585 20.202 0.00 0.00 WAT1 ATOM 4089 H2 TIP3 703 2.580 -15.779 20.687 0.00 0.00 WAT1 ATOM 4090 OH2 TIP3 704 14.967 -7.107 9.693 0.00 0.00 WAT1 ATOM 4091 H1 TIP3 704 14.690 -7.835 10.249 0.00 0.00 WAT1 ATOM 4092 H2 TIP3 704 15.894 -6.988 9.899 0.00 0.00 WAT1 ATOM 4093 OH2 TIP3 705 7.129 -5.098 8.370 0.00 0.00 WAT1 ATOM 4094 H1 TIP3 705 7.276 -5.618 9.160 0.00 0.00 WAT1 ATOM 4095 H2 TIP3 705 7.126 -4.191 8.676 0.00 0.00 WAT1 ATOM 4096 OH2 TIP3 706 3.582 -7.845 8.880 0.00 0.00 WAT1 ATOM 4097 H1 TIP3 706 2.896 -7.493 9.447 0.00 0.00 WAT1 ATOM 4098 H2 TIP3 706 4.105 -7.082 8.634 0.00 0.00 WAT1 ATOM 4099 OH2 TIP3 707 14.740 -11.159 15.207 0.00 0.00 WAT1 ATOM 4100 H1 TIP3 707 13.943 -11.574 14.878 0.00 0.00 WAT1 ATOM 4101 H2 TIP3 707 15.185 -11.850 15.698 0.00 0.00 WAT1 ATOM 4102 OH2 TIP3 708 2.514 -12.567 6.893 0.00 0.00 WAT1 ATOM 4103 H1 TIP3 708 2.469 -11.628 7.072 0.00 0.00 WAT1 ATOM 4104 H2 TIP3 708 1.626 -12.803 6.623 0.00 0.00 WAT1 ATOM 4105 OH2 TIP3 709 5.789 -7.078 6.143 0.00 0.00 WAT1 ATOM 4106 H1 TIP3 709 5.853 -7.872 6.674 0.00 0.00 WAT1 ATOM 4107 H2 TIP3 709 6.442 -7.197 5.454 0.00 0.00 WAT1 ATOM 4108 OH2 TIP3 710 8.103 -7.452 23.444 0.00 0.00 WAT1 ATOM 4109 H1 TIP3 710 7.775 -7.181 22.586 0.00 0.00 WAT1 ATOM 4110 H2 TIP3 710 8.255 -8.393 23.356 0.00 0.00 WAT1 ATOM 4111 OH2 TIP3 711 2.280 -10.222 23.431 0.00 0.00 WAT1 ATOM 4112 H1 TIP3 711 2.688 -11.079 23.310 0.00 0.00 WAT1 ATOM 4113 H2 TIP3 711 2.020 -10.207 24.352 0.00 0.00 WAT1 ATOM 4114 OH2 TIP3 712 6.938 -9.106 8.449 0.00 0.00 WAT1 ATOM 4115 H1 TIP3 712 6.479 -9.590 9.135 0.00 0.00 WAT1 ATOM 4116 H2 TIP3 712 7.193 -9.774 7.813 0.00 0.00 WAT1 ATOM 4117 OH2 TIP3 713 6.227 -11.213 20.805 0.00 0.00 WAT1 ATOM 4118 H1 TIP3 713 5.609 -10.538 21.086 0.00 0.00 WAT1 ATOM 4119 H2 TIP3 713 6.571 -10.892 19.972 0.00 0.00 WAT1 ATOM 4120 OH2 TIP3 714 8.009 -10.863 6.712 0.00 0.00 WAT1 ATOM 4121 H1 TIP3 714 7.829 -11.017 5.784 0.00 0.00 WAT1 ATOM 4122 H2 TIP3 714 8.960 -10.755 6.756 0.00 0.00 WAT1 ATOM 4123 OH2 TIP3 715 11.247 -8.742 24.083 0.00 0.00 WAT1 ATOM 4124 H1 TIP3 715 12.200 -8.658 24.055 0.00 0.00 WAT1 ATOM 4125 H2 TIP3 715 11.087 -9.453 24.702 0.00 0.00 WAT1 ATOM 4126 OH2 TIP3 716 6.979 -15.488 19.380 0.00 0.00 WAT1 ATOM 4127 H1 TIP3 716 7.515 -15.037 18.728 0.00 0.00 WAT1 ATOM 4128 H2 TIP3 716 6.127 -15.596 18.958 0.00 0.00 WAT1 ATOM 4129 OH2 TIP3 717 8.561 -10.049 19.620 0.00 0.00 WAT1 ATOM 4130 H1 TIP3 717 9.312 -10.205 19.047 0.00 0.00 WAT1 ATOM 4131 H2 TIP3 717 8.222 -9.197 19.344 0.00 0.00 WAT1 ATOM 4132 OH2 TIP3 718 14.293 -9.445 22.726 0.00 0.00 WAT1 ATOM 4133 H1 TIP3 718 14.012 -8.736 22.148 0.00 0.00 WAT1 ATOM 4134 H2 TIP3 718 15.236 -9.518 22.575 0.00 0.00 WAT1 ATOM 4135 OH2 TIP3 719 18.252 -9.586 11.956 0.00 0.00 WAT1 ATOM 4136 H1 TIP3 719 17.526 -10.065 12.354 0.00 0.00 WAT1 ATOM 4137 H2 TIP3 719 18.833 -9.380 12.688 0.00 0.00 WAT1 ATOM 4138 OH2 TIP3 720 16.869 -12.445 6.898 0.00 0.00 WAT1 ATOM 4139 H1 TIP3 720 16.966 -11.778 6.218 0.00 0.00 WAT1 ATOM 4140 H2 TIP3 720 16.729 -13.261 6.416 0.00 0.00 WAT1 ATOM 4141 OH2 TIP3 721 16.039 -11.065 12.519 0.00 0.00 WAT1 ATOM 4142 H1 TIP3 721 15.889 -12.010 12.499 0.00 0.00 WAT1 ATOM 4143 H2 TIP3 721 15.685 -10.784 13.363 0.00 0.00 WAT1 ATOM 4144 OH2 TIP3 722 16.895 -9.095 22.158 0.00 0.00 WAT1 ATOM 4145 H1 TIP3 722 17.478 -9.829 22.349 0.00 0.00 WAT1 ATOM 4146 H2 TIP3 722 17.459 -8.323 22.204 0.00 0.00 WAT1 ATOM 4147 OH2 TIP3 723 18.392 -11.192 22.842 0.00 0.00 WAT1 ATOM 4148 H1 TIP3 723 17.529 -11.571 22.677 0.00 0.00 WAT1 ATOM 4149 H2 TIP3 723 18.996 -11.931 22.768 0.00 0.00 WAT1 ATOM 4150 OH2 TIP3 724 15.749 -13.482 10.981 0.00 0.00 WAT1 ATOM 4151 H1 TIP3 724 16.029 -14.389 11.106 0.00 0.00 WAT1 ATOM 4152 H2 TIP3 724 16.508 -13.048 10.592 0.00 0.00 WAT1 ATOM 4153 OH2 TIP3 725 16.390 -12.164 19.193 0.00 0.00 WAT1 ATOM 4154 H1 TIP3 725 15.547 -11.896 19.559 0.00 0.00 WAT1 ATOM 4155 H2 TIP3 725 16.833 -11.342 18.982 0.00 0.00 WAT1 ATOM 4156 OH2 TIP3 726 0.672 -13.716 22.670 0.00 0.00 WAT1 ATOM 4157 H1 TIP3 726 1.591 -13.838 22.906 0.00 0.00 WAT1 ATOM 4158 H2 TIP3 726 0.222 -14.466 23.059 0.00 0.00 WAT1 ATOM 4159 OH2 TIP3 727 0.197 -12.405 16.630 0.00 0.00 WAT1 ATOM 4160 H1 TIP3 727 0.689 -12.626 15.840 0.00 0.00 WAT1 ATOM 4161 H2 TIP3 727 0.559 -11.564 16.911 0.00 0.00 WAT1 ATOM 4162 OH2 TIP3 728 12.029 -8.746 31.674 0.00 0.00 WAT1 ATOM 4163 H1 TIP3 728 12.118 -7.802 31.542 0.00 0.00 WAT1 ATOM 4164 H2 TIP3 728 11.390 -9.021 31.016 0.00 0.00 WAT1 ATOM 4165 OH2 TIP3 729 0.864 -11.766 30.614 0.00 0.00 WAT1 ATOM 4166 H1 TIP3 729 0.416 -10.920 30.596 0.00 0.00 WAT1 ATOM 4167 H2 TIP3 729 0.303 -12.346 30.099 0.00 0.00 WAT1 ATOM 4168 OH2 TIP3 730 18.014 -15.457 36.360 0.00 0.00 WAT1 ATOM 4169 H1 TIP3 730 18.063 -14.847 37.096 0.00 0.00 WAT1 ATOM 4170 H2 TIP3 730 18.440 -14.996 35.637 0.00 0.00 WAT1 ATOM 4171 OH2 TIP3 731 12.492 -12.664 35.827 0.00 0.00 WAT1 ATOM 4172 H1 TIP3 731 12.635 -13.611 35.847 0.00 0.00 WAT1 ATOM 4173 H2 TIP3 731 12.386 -12.457 34.898 0.00 0.00 WAT1 ATOM 4174 OH2 TIP3 732 2.267 -12.166 33.861 0.00 0.00 WAT1 ATOM 4175 H1 TIP3 732 2.921 -12.716 34.293 0.00 0.00 WAT1 ATOM 4176 H2 TIP3 732 2.291 -12.440 32.945 0.00 0.00 WAT1 ATOM 4177 OH2 TIP3 733 7.423 -10.616 33.077 0.00 0.00 WAT1 ATOM 4178 H1 TIP3 733 8.039 -11.142 33.586 0.00 0.00 WAT1 ATOM 4179 H2 TIP3 733 6.837 -11.256 32.673 0.00 0.00 WAT1 ATOM 4180 OH2 TIP3 734 18.406 -13.979 38.596 0.00 0.00 WAT1 ATOM 4181 H1 TIP3 734 17.717 -13.321 38.501 0.00 0.00 WAT1 ATOM 4182 H2 TIP3 734 18.421 -14.176 39.533 0.00 0.00 WAT1 ATOM 4183 OH2 TIP3 735 4.457 -15.645 37.173 0.00 0.00 WAT1 ATOM 4184 H1 TIP3 735 4.238 -15.115 36.407 0.00 0.00 WAT1 ATOM 4185 H2 TIP3 735 3.789 -15.418 37.821 0.00 0.00 WAT1 ATOM 4186 OH2 TIP3 736 4.051 -13.753 35.126 0.00 0.00 WAT1 ATOM 4187 H1 TIP3 736 4.664 -13.120 35.499 0.00 0.00 WAT1 ATOM 4188 H2 TIP3 736 4.563 -14.225 34.469 0.00 0.00 WAT1 ATOM 4189 OH2 TIP3 737 10.750 -9.502 29.126 0.00 0.00 WAT1 ATOM 4190 H1 TIP3 737 10.038 -8.967 28.775 0.00 0.00 WAT1 ATOM 4191 H2 TIP3 737 11.441 -9.446 28.466 0.00 0.00 WAT1 ATOM 4192 OH2 TIP3 738 10.804 -11.044 26.165 0.00 0.00 WAT1 ATOM 4193 H1 TIP3 738 11.505 -11.022 26.816 0.00 0.00 WAT1 ATOM 4194 H2 TIP3 738 11.106 -11.672 25.509 0.00 0.00 WAT1 ATOM 4195 OH2 TIP3 739 18.119 -10.124 37.420 0.00 0.00 WAT1 ATOM 4196 H1 TIP3 739 17.467 -9.429 37.509 0.00 0.00 WAT1 ATOM 4197 H2 TIP3 739 18.584 -9.914 36.610 0.00 0.00 WAT1 ATOM 4198 OH2 TIP3 740 14.156 -9.292 30.078 0.00 0.00 WAT1 ATOM 4199 H1 TIP3 740 13.424 -9.064 30.651 0.00 0.00 WAT1 ATOM 4200 H2 TIP3 740 14.603 -10.006 30.533 0.00 0.00 WAT1 ATOM 4201 OH2 TIP3 741 5.801 -8.662 31.961 0.00 0.00 WAT1 ATOM 4202 H1 TIP3 741 5.471 -9.032 31.142 0.00 0.00 WAT1 ATOM 4203 H2 TIP3 741 6.389 -9.332 32.307 0.00 0.00 WAT1 ATOM 4204 OH2 TIP3 742 13.027 -10.130 27.763 0.00 0.00 WAT1 ATOM 4205 H1 TIP3 742 13.606 -9.980 28.510 0.00 0.00 WAT1 ATOM 4206 H2 TIP3 742 13.441 -9.659 27.040 0.00 0.00 WAT1 ATOM 4207 OH2 TIP3 743 4.791 -9.592 29.550 0.00 0.00 WAT1 ATOM 4208 H1 TIP3 743 4.499 -8.824 29.059 0.00 0.00 WAT1 ATOM 4209 H2 TIP3 743 4.117 -10.252 29.387 0.00 0.00 WAT1 ATOM 4210 OH2 TIP3 744 10.415 -17.714 38.778 0.00 0.00 WAT1 ATOM 4211 H1 TIP3 744 10.835 -18.129 39.531 0.00 0.00 WAT1 ATOM 4212 H2 TIP3 744 9.482 -17.892 38.895 0.00 0.00 WAT1 ATOM 4213 OH2 TIP3 745 13.741 -13.958 39.632 0.00 0.00 WAT1 ATOM 4214 H1 TIP3 745 13.227 -14.084 40.429 0.00 0.00 WAT1 ATOM 4215 H2 TIP3 745 13.586 -13.046 39.387 0.00 0.00 WAT1 ATOM 4216 OH2 TIP3 746 14.504 -9.097 25.393 0.00 0.00 WAT1 ATOM 4217 H1 TIP3 746 14.546 -9.320 24.463 0.00 0.00 WAT1 ATOM 4218 H2 TIP3 746 15.353 -8.699 25.583 0.00 0.00 WAT1 ATOM 4219 OH2 TIP3 747 5.843 -12.470 36.499 0.00 0.00 WAT1 ATOM 4220 H1 TIP3 747 5.201 -12.511 37.208 0.00 0.00 WAT1 ATOM 4221 H2 TIP3 747 5.880 -11.544 36.261 0.00 0.00 WAT1 ATOM 4222 OH2 TIP3 748 5.840 -12.249 31.411 0.00 0.00 WAT1 ATOM 4223 H1 TIP3 748 4.947 -12.590 31.352 0.00 0.00 WAT1 ATOM 4224 H2 TIP3 748 6.291 -12.626 30.655 0.00 0.00 WAT1 ATOM 4225 OH2 TIP3 749 12.380 -12.387 33.042 0.00 0.00 WAT1 ATOM 4226 H1 TIP3 749 12.185 -11.782 32.327 0.00 0.00 WAT1 ATOM 4227 H2 TIP3 749 12.562 -13.221 32.607 0.00 0.00 WAT1 ATOM 4228 OH2 TIP3 750 3.250 -13.193 31.324 0.00 0.00 WAT1 ATOM 4229 H1 TIP3 750 2.361 -13.093 30.984 0.00 0.00 WAT1 ATOM 4230 H2 TIP3 750 3.546 -14.035 30.978 0.00 0.00 WAT1 ATOM 4231 OH2 TIP3 751 12.827 -15.587 35.761 0.00 0.00 WAT1 ATOM 4232 H1 TIP3 751 12.150 -15.456 36.425 0.00 0.00 WAT1 ATOM 4233 H2 TIP3 751 12.341 -15.742 34.951 0.00 0.00 WAT1 ATOM 4234 OH2 TIP3 752 9.742 -12.034 34.384 0.00 0.00 WAT1 ATOM 4235 H1 TIP3 752 10.306 -12.581 33.837 0.00 0.00 WAT1 ATOM 4236 H2 TIP3 752 9.594 -12.556 35.173 0.00 0.00 WAT1 ATOM 4237 OH2 TIP3 753 8.368 -13.646 36.798 0.00 0.00 WAT1 ATOM 4238 H1 TIP3 753 7.533 -13.192 36.908 0.00 0.00 WAT1 ATOM 4239 H2 TIP3 753 8.892 -13.370 37.550 0.00 0.00 WAT1 ATOM 4240 OH2 TIP3 754 2.167 -9.758 26.244 0.00 0.00 WAT1 ATOM 4241 H1 TIP3 754 2.783 -9.131 26.623 0.00 0.00 WAT1 ATOM 4242 H2 TIP3 754 1.305 -9.442 26.515 0.00 0.00 WAT1 ATOM 4243 OH2 TIP3 755 14.967 -7.107 28.549 0.00 0.00 WAT1 ATOM 4244 H1 TIP3 755 14.690 -7.835 29.105 0.00 0.00 WAT1 ATOM 4245 H2 TIP3 755 15.894 -6.988 28.755 0.00 0.00 WAT1 ATOM 4246 OH2 TIP3 756 3.582 -7.845 27.736 0.00 0.00 WAT1 ATOM 4247 H1 TIP3 756 2.896 -7.493 28.303 0.00 0.00 WAT1 ATOM 4248 H2 TIP3 756 4.105 -7.082 27.490 0.00 0.00 WAT1 ATOM 4249 OH2 TIP3 757 11.414 -15.183 38.015 0.00 0.00 WAT1 ATOM 4250 H1 TIP3 757 12.112 -15.109 38.665 0.00 0.00 WAT1 ATOM 4251 H2 TIP3 757 11.033 -16.047 38.170 0.00 0.00 WAT1 ATOM 4252 OH2 TIP3 758 16.138 -14.910 39.967 0.00 0.00 WAT1 ATOM 4253 H1 TIP3 758 15.222 -14.647 39.879 0.00 0.00 WAT1 ATOM 4254 H2 TIP3 758 16.474 -14.913 39.070 0.00 0.00 WAT1 ATOM 4255 OH2 TIP3 759 14.740 -11.159 34.063 0.00 0.00 WAT1 ATOM 4256 H1 TIP3 759 13.943 -11.574 33.734 0.00 0.00 WAT1 ATOM 4257 H2 TIP3 759 15.185 -11.850 34.554 0.00 0.00 WAT1 ATOM 4258 OH2 TIP3 760 5.789 -7.078 24.999 0.00 0.00 WAT1 ATOM 4259 H1 TIP3 760 5.853 -7.872 25.530 0.00 0.00 WAT1 ATOM 4260 H2 TIP3 760 6.442 -7.197 24.310 0.00 0.00 WAT1 ATOM 4261 OH2 TIP3 761 6.938 -9.106 27.305 0.00 0.00 WAT1 ATOM 4262 H1 TIP3 761 6.479 -9.590 27.991 0.00 0.00 WAT1 ATOM 4263 H2 TIP3 761 7.193 -9.774 26.669 0.00 0.00 WAT1 ATOM 4264 OH2 TIP3 762 8.009 -10.863 25.568 0.00 0.00 WAT1 ATOM 4265 H1 TIP3 762 7.829 -11.017 24.640 0.00 0.00 WAT1 ATOM 4266 H2 TIP3 762 8.960 -10.755 25.612 0.00 0.00 WAT1 ATOM 4267 OH2 TIP3 763 17.399 -8.508 25.013 0.00 0.00 WAT1 ATOM 4268 H1 TIP3 763 17.126 -8.933 24.200 0.00 0.00 WAT1 ATOM 4269 H2 TIP3 763 17.439 -7.577 24.796 0.00 0.00 WAT1 ATOM 4270 OH2 TIP3 764 6.979 -15.488 38.236 0.00 0.00 WAT1 ATOM 4271 H1 TIP3 764 7.515 -15.037 37.584 0.00 0.00 WAT1 ATOM 4272 H2 TIP3 764 6.127 -15.596 37.814 0.00 0.00 WAT1 ATOM 4273 OH2 TIP3 765 7.785 -18.032 38.668 0.00 0.00 WAT1 ATOM 4274 H1 TIP3 765 7.687 -17.085 38.562 0.00 0.00 WAT1 ATOM 4275 H2 TIP3 765 7.042 -18.404 38.192 0.00 0.00 WAT1 ATOM 4276 OH2 TIP3 766 8.007 -18.738 41.339 0.00 0.00 WAT1 ATOM 4277 H1 TIP3 766 8.719 -19.378 41.325 0.00 0.00 WAT1 ATOM 4278 H2 TIP3 766 7.906 -18.471 40.425 0.00 0.00 WAT1 ATOM 4279 OH2 TIP3 767 17.858 -7.639 28.988 0.00 0.00 WAT1 ATOM 4280 H1 TIP3 767 18.708 -7.218 29.116 0.00 0.00 WAT1 ATOM 4281 H2 TIP3 767 17.863 -8.379 29.596 0.00 0.00 WAT1 ATOM 4282 OH2 TIP3 768 18.252 -9.586 30.812 0.00 0.00 WAT1 ATOM 4283 H1 TIP3 768 17.526 -10.065 31.210 0.00 0.00 WAT1 ATOM 4284 H2 TIP3 768 18.833 -9.380 31.544 0.00 0.00 WAT1 ATOM 4285 OH2 TIP3 769 18.520 -9.685 27.203 0.00 0.00 WAT1 ATOM 4286 H1 TIP3 769 17.999 -9.328 26.484 0.00 0.00 WAT1 ATOM 4287 H2 TIP3 769 18.487 -9.010 27.881 0.00 0.00 WAT1 ATOM 4288 OH2 TIP3 770 16.361 -12.901 35.273 0.00 0.00 WAT1 ATOM 4289 H1 TIP3 770 17.294 -12.689 35.239 0.00 0.00 WAT1 ATOM 4290 H2 TIP3 770 16.126 -12.799 36.196 0.00 0.00 WAT1 ATOM 4291 OH2 TIP3 771 16.390 -12.164 38.049 0.00 0.00 WAT1 ATOM 4292 H1 TIP3 771 15.547 -11.896 38.415 0.00 0.00 WAT1 ATOM 4293 H2 TIP3 771 16.833 -11.342 37.838 0.00 0.00 WAT1 ATOM 4294 OH2 TIP3 772 1.893 -15.404 34.417 0.00 0.00 WAT1 ATOM 4295 H1 TIP3 772 2.338 -16.196 34.719 0.00 0.00 WAT1 ATOM 4296 H2 TIP3 772 2.359 -14.688 34.848 0.00 0.00 WAT1 ATOM 4297 OH2 TIP3 773 0.197 -12.405 35.486 0.00 0.00 WAT1 ATOM 4298 H1 TIP3 773 0.689 -12.626 34.696 0.00 0.00 WAT1 ATOM 4299 H2 TIP3 773 0.559 -11.564 35.767 0.00 0.00 WAT1 ATOM 4300 OH2 TIP3 774 18.193 -16.075 41.752 0.00 0.00 WAT1 ATOM 4301 H1 TIP3 774 17.276 -15.804 41.716 0.00 0.00 WAT1 ATOM 4302 H2 TIP3 774 18.316 -16.610 40.968 0.00 0.00 WAT1 ATOM 4303 OH2 TIP3 775 0.474 -17.409 37.885 0.00 0.00 WAT1 ATOM 4304 H1 TIP3 775 -0.191 -17.655 38.528 0.00 0.00 WAT1 ATOM 4305 H2 TIP3 775 0.031 -16.787 37.308 0.00 0.00 WAT1 ATOM 4306 OH2 TIP3 776 17.194 -17.985 39.571 0.00 0.00 WAT1 ATOM 4307 H1 TIP3 776 16.381 -17.660 39.183 0.00 0.00 WAT1 ATOM 4308 H2 TIP3 776 17.427 -18.745 39.038 0.00 0.00 WAT1 ATOM 4309 OH2 TIP3 777 13.303 -18.705 42.951 0.00 0.00 WAT1 ATOM 4310 H1 TIP3 777 13.379 -19.131 43.805 0.00 0.00 WAT1 ATOM 4311 H2 TIP3 777 14.196 -18.691 42.609 0.00 0.00 WAT1 ATOM 4312 OH2 TIP3 778 22.186 -47.588 17.830 0.00 0.00 WAT1 ATOM 4313 H1 TIP3 778 22.228 -48.214 18.554 0.00 0.00 WAT1 ATOM 4314 H2 TIP3 778 22.889 -46.965 18.012 0.00 0.00 WAT1 ATOM 4315 OH2 TIP3 779 28.207 -44.770 16.643 0.00 0.00 WAT1 ATOM 4316 H1 TIP3 779 28.511 -45.456 16.049 0.00 0.00 WAT1 ATOM 4317 H2 TIP3 779 28.929 -44.652 17.261 0.00 0.00 WAT1 ATOM 4318 OH2 TIP3 780 25.882 -45.681 18.605 0.00 0.00 WAT1 ATOM 4319 H1 TIP3 780 25.142 -45.083 18.708 0.00 0.00 WAT1 ATOM 4320 H2 TIP3 780 26.596 -45.127 18.289 0.00 0.00 WAT1 ATOM 4321 OH2 TIP3 781 20.411 -44.046 10.174 0.00 0.00 WAT1 ATOM 4322 H1 TIP3 781 20.139 -43.817 9.285 0.00 0.00 WAT1 ATOM 4323 H2 TIP3 781 20.456 -43.208 10.634 0.00 0.00 WAT1 ATOM 4324 OH2 TIP3 782 26.024 -42.946 15.786 0.00 0.00 WAT1 ATOM 4325 H1 TIP3 782 25.929 -43.524 15.029 0.00 0.00 WAT1 ATOM 4326 H2 TIP3 782 26.753 -43.317 16.282 0.00 0.00 WAT1 ATOM 4327 OH2 TIP3 783 25.024 -47.605 16.738 0.00 0.00 WAT1 ATOM 4328 H1 TIP3 783 25.589 -47.484 15.975 0.00 0.00 WAT1 ATOM 4329 H2 TIP3 783 25.343 -46.968 17.377 0.00 0.00 WAT1 ATOM 4330 OH2 TIP3 784 25.904 -43.206 21.455 0.00 0.00 WAT1 ATOM 4331 H1 TIP3 784 25.592 -42.424 21.911 0.00 0.00 WAT1 ATOM 4332 H2 TIP3 784 25.254 -43.359 20.769 0.00 0.00 WAT1 ATOM 4333 OH2 TIP3 785 22.824 -47.008 20.684 0.00 0.00 WAT1 ATOM 4334 H1 TIP3 785 22.894 -46.357 21.382 0.00 0.00 WAT1 ATOM 4335 H2 TIP3 785 21.933 -46.905 20.349 0.00 0.00 WAT1 ATOM 4336 OH2 TIP3 786 28.667 -41.921 20.951 0.00 0.00 WAT1 ATOM 4337 H1 TIP3 786 28.754 -41.095 21.426 0.00 0.00 WAT1 ATOM 4338 H2 TIP3 786 27.803 -42.251 21.200 0.00 0.00 WAT1 ATOM 4339 OH2 TIP3 787 22.735 -39.360 12.538 0.00 0.00 WAT1 ATOM 4340 H1 TIP3 787 22.887 -39.708 13.417 0.00 0.00 WAT1 ATOM 4341 H2 TIP3 787 21.884 -39.716 12.283 0.00 0.00 WAT1 ATOM 4342 OH2 TIP3 788 22.568 -45.153 22.790 0.00 0.00 WAT1 ATOM 4343 H1 TIP3 788 23.301 -44.899 23.351 0.00 0.00 WAT1 ATOM 4344 H2 TIP3 788 21.788 -44.949 23.305 0.00 0.00 WAT1 ATOM 4345 OH2 TIP3 789 29.288 -44.961 20.864 0.00 0.00 WAT1 ATOM 4346 H1 TIP3 789 28.942 -45.342 21.670 0.00 0.00 WAT1 ATOM 4347 H2 TIP3 789 29.088 -44.027 20.935 0.00 0.00 WAT1 ATOM 4348 OH2 TIP3 790 22.893 -45.850 15.396 0.00 0.00 WAT1 ATOM 4349 H1 TIP3 790 23.638 -45.852 14.795 0.00 0.00 WAT1 ATOM 4350 H2 TIP3 790 22.971 -46.674 15.878 0.00 0.00 WAT1 ATOM 4351 OH2 TIP3 791 19.901 -47.389 20.711 0.00 0.00 WAT1 ATOM 4352 H1 TIP3 791 20.124 -47.807 21.543 0.00 0.00 WAT1 ATOM 4353 H2 TIP3 791 19.299 -48.002 20.289 0.00 0.00 WAT1 ATOM 4354 OH2 TIP3 792 26.918 -47.872 22.924 0.00 0.00 WAT1 ATOM 4355 H1 TIP3 792 26.622 -48.038 22.029 0.00 0.00 WAT1 ATOM 4356 H2 TIP3 792 27.849 -48.092 22.914 0.00 0.00 WAT1 ATOM 4357 OH2 TIP3 793 25.268 -42.332 12.801 0.00 0.00 WAT1 ATOM 4358 H1 TIP3 793 25.795 -41.559 12.600 0.00 0.00 WAT1 ATOM 4359 H2 TIP3 793 24.388 -42.107 12.499 0.00 0.00 WAT1 ATOM 4360 OH2 TIP3 794 27.210 -40.520 18.692 0.00 0.00 WAT1 ATOM 4361 H1 TIP3 794 27.573 -39.665 18.459 0.00 0.00 WAT1 ATOM 4362 H2 TIP3 794 27.742 -40.812 19.433 0.00 0.00 WAT1 ATOM 4363 OH2 TIP3 795 25.379 -39.647 11.922 0.00 0.00 WAT1 ATOM 4364 H1 TIP3 795 24.429 -39.542 11.974 0.00 0.00 WAT1 ATOM 4365 H2 TIP3 795 25.730 -38.827 12.267 0.00 0.00 WAT1 ATOM 4366 OH2 TIP3 796 21.108 -41.557 11.727 0.00 0.00 WAT1 ATOM 4367 H1 TIP3 796 20.276 -41.084 11.754 0.00 0.00 WAT1 ATOM 4368 H2 TIP3 796 21.654 -41.047 11.128 0.00 0.00 WAT1 ATOM 4369 OH2 TIP3 797 20.304 -45.134 24.011 0.00 0.00 WAT1 ATOM 4370 H1 TIP3 797 20.448 -46.036 23.725 0.00 0.00 WAT1 ATOM 4371 H2 TIP3 797 19.531 -44.848 23.523 0.00 0.00 WAT1 ATOM 4372 OH2 TIP3 798 26.959 -45.164 23.444 0.00 0.00 WAT1 ATOM 4373 H1 TIP3 798 26.631 -44.893 22.586 0.00 0.00 WAT1 ATOM 4374 H2 TIP3 798 27.111 -46.105 23.356 0.00 0.00 WAT1 ATOM 4375 OH2 TIP3 799 21.136 -47.934 23.431 0.00 0.00 WAT1 ATOM 4376 H1 TIP3 799 21.544 -48.791 23.310 0.00 0.00 WAT1 ATOM 4377 H2 TIP3 799 20.876 -47.919 24.352 0.00 0.00 WAT1 ATOM 4378 OH2 TIP3 800 25.083 -48.925 20.805 0.00 0.00 WAT1 ATOM 4379 H1 TIP3 800 24.465 -48.250 21.086 0.00 0.00 WAT1 ATOM 4380 H2 TIP3 800 25.427 -48.604 19.972 0.00 0.00 WAT1 ATOM 4381 OH2 TIP3 801 27.417 -47.761 19.620 0.00 0.00 WAT1 ATOM 4382 H1 TIP3 801 28.168 -47.917 19.047 0.00 0.00 WAT1 ATOM 4383 H2 TIP3 801 27.078 -46.909 19.344 0.00 0.00 WAT1 ATOM 4384 OH2 TIP3 802 19.930 -46.699 16.529 0.00 0.00 WAT1 ATOM 4385 H1 TIP3 802 20.114 -46.781 15.594 0.00 0.00 WAT1 ATOM 4386 H2 TIP3 802 20.779 -46.823 16.953 0.00 0.00 WAT1 ATOM 4387 OH2 TIP3 803 28.787 -39.572 22.391 0.00 0.00 WAT1 ATOM 4388 H1 TIP3 803 28.972 -39.906 23.269 0.00 0.00 WAT1 ATOM 4389 H2 TIP3 803 29.634 -39.263 22.069 0.00 0.00 WAT1 ATOM 4390 OH2 TIP3 804 29.056 -38.227 17.685 0.00 0.00 WAT1 ATOM 4391 H1 TIP3 804 28.599 -37.698 17.031 0.00 0.00 WAT1 ATOM 4392 H2 TIP3 804 29.219 -37.624 18.410 0.00 0.00 WAT1 ATOM 4393 OH2 TIP3 805 23.434 -40.382 15.045 0.00 0.00 WAT1 ATOM 4394 H1 TIP3 805 23.215 -41.298 15.214 0.00 0.00 WAT1 ATOM 4395 H2 TIP3 805 24.258 -40.242 15.511 0.00 0.00 WAT1 ATOM 4396 OH2 TIP3 806 25.971 -39.912 15.893 0.00 0.00 WAT1 ATOM 4397 H1 TIP3 806 26.184 -40.800 15.606 0.00 0.00 WAT1 ATOM 4398 H2 TIP3 806 26.036 -39.946 16.848 0.00 0.00 WAT1 ATOM 4399 OH2 TIP3 807 20.544 -39.868 9.561 0.00 0.00 WAT1 ATOM 4400 H1 TIP3 807 19.859 -39.906 8.893 0.00 0.00 WAT1 ATOM 4401 H2 TIP3 807 20.547 -38.955 9.849 0.00 0.00 WAT1 ATOM 4402 OH2 TIP3 808 22.186 -47.588 36.686 0.00 0.00 WAT1 ATOM 4403 H1 TIP3 808 22.228 -48.214 37.410 0.00 0.00 WAT1 ATOM 4404 H2 TIP3 808 22.889 -46.965 36.868 0.00 0.00 WAT1 ATOM 4405 OH2 TIP3 809 23.110 -43.138 35.221 0.00 0.00 WAT1 ATOM 4406 H1 TIP3 809 22.740 -43.940 34.852 0.00 0.00 WAT1 ATOM 4407 H2 TIP3 809 24.051 -43.307 35.268 0.00 0.00 WAT1 ATOM 4408 OH2 TIP3 810 19.720 -49.478 30.614 0.00 0.00 WAT1 ATOM 4409 H1 TIP3 810 19.272 -48.632 30.596 0.00 0.00 WAT1 ATOM 4410 H2 TIP3 810 19.159 -50.058 30.099 0.00 0.00 WAT1 ATOM 4411 OH2 TIP3 811 21.123 -49.878 33.861 0.00 0.00 WAT1 ATOM 4412 H1 TIP3 811 21.777 -50.428 34.293 0.00 0.00 WAT1 ATOM 4413 H2 TIP3 811 21.147 -50.152 32.945 0.00 0.00 WAT1 ATOM 4414 OH2 TIP3 812 26.279 -48.328 33.077 0.00 0.00 WAT1 ATOM 4415 H1 TIP3 812 26.895 -48.854 33.586 0.00 0.00 WAT1 ATOM 4416 H2 TIP3 812 25.693 -48.968 32.673 0.00 0.00 WAT1 ATOM 4417 OH2 TIP3 813 24.290 -43.717 38.248 0.00 0.00 WAT1 ATOM 4418 H1 TIP3 813 24.284 -42.838 37.870 0.00 0.00 WAT1 ATOM 4419 H2 TIP3 813 23.436 -43.800 38.673 0.00 0.00 WAT1 ATOM 4420 OH2 TIP3 814 24.657 -46.374 31.961 0.00 0.00 WAT1 ATOM 4421 H1 TIP3 814 24.327 -46.744 31.142 0.00 0.00 WAT1 ATOM 4422 H2 TIP3 814 25.245 -47.044 32.307 0.00 0.00 WAT1 ATOM 4423 OH2 TIP3 815 26.024 -42.946 34.642 0.00 0.00 WAT1 ATOM 4424 H1 TIP3 815 25.929 -43.524 33.885 0.00 0.00 WAT1 ATOM 4425 H2 TIP3 815 26.753 -43.317 35.138 0.00 0.00 WAT1 ATOM 4426 OH2 TIP3 816 25.024 -47.605 35.594 0.00 0.00 WAT1 ATOM 4427 H1 TIP3 816 25.589 -47.484 34.831 0.00 0.00 WAT1 ATOM 4428 H2 TIP3 816 25.343 -46.968 36.233 0.00 0.00 WAT1 ATOM 4429 OH2 TIP3 817 25.904 -43.206 40.311 0.00 0.00 WAT1 ATOM 4430 H1 TIP3 817 25.592 -42.424 40.767 0.00 0.00 WAT1 ATOM 4431 H2 TIP3 817 25.254 -43.359 39.625 0.00 0.00 WAT1 ATOM 4432 OH2 TIP3 818 22.824 -47.008 39.540 0.00 0.00 WAT1 ATOM 4433 H1 TIP3 818 22.894 -46.357 40.238 0.00 0.00 WAT1 ATOM 4434 H2 TIP3 818 21.933 -46.905 39.205 0.00 0.00 WAT1 ATOM 4435 OH2 TIP3 819 24.143 -41.134 41.075 0.00 0.00 WAT1 ATOM 4436 H1 TIP3 819 24.151 -41.270 40.127 0.00 0.00 WAT1 ATOM 4437 H2 TIP3 819 23.227 -41.252 41.327 0.00 0.00 WAT1 ATOM 4438 OH2 TIP3 820 23.647 -47.304 29.550 0.00 0.00 WAT1 ATOM 4439 H1 TIP3 820 23.355 -46.536 29.059 0.00 0.00 WAT1 ATOM 4440 H2 TIP3 820 22.973 -47.964 29.387 0.00 0.00 WAT1 ATOM 4441 OH2 TIP3 821 29.081 -38.149 29.613 0.00 0.00 WAT1 ATOM 4442 H1 TIP3 821 29.006 -38.270 28.667 0.00 0.00 WAT1 ATOM 4443 H2 TIP3 821 29.114 -37.199 29.732 0.00 0.00 WAT1 ATOM 4444 OH2 TIP3 822 21.989 -43.618 39.408 0.00 0.00 WAT1 ATOM 4445 H1 TIP3 822 22.206 -43.979 40.268 0.00 0.00 WAT1 ATOM 4446 H2 TIP3 822 21.134 -43.992 39.198 0.00 0.00 WAT1 ATOM 4447 OH2 TIP3 823 24.696 -49.961 31.411 0.00 0.00 WAT1 ATOM 4448 H1 TIP3 823 23.803 -50.302 31.352 0.00 0.00 WAT1 ATOM 4449 H2 TIP3 823 25.147 -50.338 30.655 0.00 0.00 WAT1 ATOM 4450 OH2 TIP3 824 22.106 -50.905 31.324 0.00 0.00 WAT1 ATOM 4451 H1 TIP3 824 21.217 -50.805 30.984 0.00 0.00 WAT1 ATOM 4452 H2 TIP3 824 22.402 -51.747 30.978 0.00 0.00 WAT1 ATOM 4453 OH2 TIP3 825 22.568 -45.153 41.646 0.00 0.00 WAT1 ATOM 4454 H1 TIP3 825 23.301 -44.899 42.207 0.00 0.00 WAT1 ATOM 4455 H2 TIP3 825 21.788 -44.949 42.161 0.00 0.00 WAT1 ATOM 4456 OH2 TIP3 826 27.768 -45.145 28.483 0.00 0.00 WAT1 ATOM 4457 H1 TIP3 826 27.024 -45.652 28.160 0.00 0.00 WAT1 ATOM 4458 H2 TIP3 826 27.634 -45.096 29.429 0.00 0.00 WAT1 ATOM 4459 OH2 TIP3 827 22.893 -45.850 34.252 0.00 0.00 WAT1 ATOM 4460 H1 TIP3 827 23.638 -45.852 33.651 0.00 0.00 WAT1 ATOM 4461 H2 TIP3 827 22.971 -46.674 34.734 0.00 0.00 WAT1 ATOM 4462 OH2 TIP3 828 29.894 -43.686 27.508 0.00 0.00 WAT1 ATOM 4463 H1 TIP3 828 29.599 -42.860 27.890 0.00 0.00 WAT1 ATOM 4464 H2 TIP3 828 29.191 -44.306 27.704 0.00 0.00 WAT1 ATOM 4465 OH2 TIP3 829 19.901 -47.389 39.567 0.00 0.00 WAT1 ATOM 4466 H1 TIP3 829 20.124 -47.807 40.399 0.00 0.00 WAT1 ATOM 4467 H2 TIP3 829 19.299 -48.002 39.145 0.00 0.00 WAT1 ATOM 4468 OH2 TIP3 830 25.268 -42.332 31.657 0.00 0.00 WAT1 ATOM 4469 H1 TIP3 830 25.795 -41.559 31.456 0.00 0.00 WAT1 ATOM 4470 H2 TIP3 830 24.388 -42.107 31.355 0.00 0.00 WAT1 ATOM 4471 OH2 TIP3 831 21.023 -47.470 26.244 0.00 0.00 WAT1 ATOM 4472 H1 TIP3 831 21.639 -46.843 26.623 0.00 0.00 WAT1 ATOM 4473 H2 TIP3 831 20.161 -47.154 26.515 0.00 0.00 WAT1 ATOM 4474 OH2 TIP3 832 26.695 -44.669 31.233 0.00 0.00 WAT1 ATOM 4475 H1 TIP3 832 26.454 -43.744 31.275 0.00 0.00 WAT1 ATOM 4476 H2 TIP3 832 25.955 -45.128 31.629 0.00 0.00 WAT1 ATOM 4477 OH2 TIP3 833 25.379 -39.647 30.778 0.00 0.00 WAT1 ATOM 4478 H1 TIP3 833 24.429 -39.542 30.830 0.00 0.00 WAT1 ATOM 4479 H2 TIP3 833 25.730 -38.827 31.123 0.00 0.00 WAT1 ATOM 4480 OH2 TIP3 834 22.438 -45.557 27.736 0.00 0.00 WAT1 ATOM 4481 H1 TIP3 834 21.752 -45.205 28.303 0.00 0.00 WAT1 ATOM 4482 H2 TIP3 834 22.961 -44.794 27.490 0.00 0.00 WAT1 ATOM 4483 OH2 TIP3 835 28.723 -41.112 27.975 0.00 0.00 WAT1 ATOM 4484 H1 TIP3 835 27.906 -40.615 28.028 0.00 0.00 WAT1 ATOM 4485 H2 TIP3 835 29.252 -40.637 27.335 0.00 0.00 WAT1 ATOM 4486 OH2 TIP3 836 26.061 -40.069 27.957 0.00 0.00 WAT1 ATOM 4487 H1 TIP3 836 26.222 -39.269 27.456 0.00 0.00 WAT1 ATOM 4488 H2 TIP3 836 25.864 -39.762 28.842 0.00 0.00 WAT1 ATOM 4489 OH2 TIP3 837 24.994 -40.025 43.533 0.00 0.00 WAT1 ATOM 4490 H1 TIP3 837 25.762 -40.484 43.874 0.00 0.00 WAT1 ATOM 4491 H2 TIP3 837 24.973 -40.251 42.603 0.00 0.00 WAT1 ATOM 4492 OH2 TIP3 838 29.086 -40.517 24.908 0.00 0.00 WAT1 ATOM 4493 H1 TIP3 838 28.442 -41.148 25.230 0.00 0.00 WAT1 ATOM 4494 H2 TIP3 838 29.848 -41.048 24.676 0.00 0.00 WAT1 ATOM 4495 OH2 TIP3 839 20.304 -45.134 42.867 0.00 0.00 WAT1 ATOM 4496 H1 TIP3 839 20.448 -46.036 42.581 0.00 0.00 WAT1 ATOM 4497 H2 TIP3 839 19.531 -44.848 42.379 0.00 0.00 WAT1 ATOM 4498 OH2 TIP3 840 29.997 -43.743 24.735 0.00 0.00 WAT1 ATOM 4499 H1 TIP3 840 29.729 -43.563 25.636 0.00 0.00 WAT1 ATOM 4500 H2 TIP3 840 29.791 -44.669 24.604 0.00 0.00 WAT1 ATOM 4501 OH2 TIP3 841 21.136 -47.934 42.287 0.00 0.00 WAT1 ATOM 4502 H1 TIP3 841 21.544 -48.791 42.166 0.00 0.00 WAT1 ATOM 4503 H2 TIP3 841 20.876 -47.919 43.208 0.00 0.00 WAT1 ATOM 4504 OH2 TIP3 842 25.794 -46.818 27.305 0.00 0.00 WAT1 ATOM 4505 H1 TIP3 842 25.335 -47.302 27.991 0.00 0.00 WAT1 ATOM 4506 H2 TIP3 842 26.049 -47.486 26.669 0.00 0.00 WAT1 ATOM 4507 OH2 TIP3 843 26.763 -37.884 26.569 0.00 0.00 WAT1 ATOM 4508 H1 TIP3 843 27.696 -37.726 26.713 0.00 0.00 WAT1 ATOM 4509 H2 TIP3 843 26.499 -37.209 25.944 0.00 0.00 WAT1 ATOM 4510 OH2 TIP3 844 19.930 -46.699 35.385 0.00 0.00 WAT1 ATOM 4511 H1 TIP3 844 20.114 -46.781 34.450 0.00 0.00 WAT1 ATOM 4512 H2 TIP3 844 20.779 -46.823 35.809 0.00 0.00 WAT1 ATOM 4513 OH2 TIP3 845 19.053 -50.117 35.486 0.00 0.00 WAT1 ATOM 4514 H1 TIP3 845 19.545 -50.338 34.696 0.00 0.00 WAT1 ATOM 4515 H2 TIP3 845 19.415 -49.276 35.767 0.00 0.00 WAT1 ATOM 4516 OH2 TIP3 846 24.476 -40.971 38.288 0.00 0.00 WAT1 ATOM 4517 H1 TIP3 846 24.051 -40.162 38.005 0.00 0.00 WAT1 ATOM 4518 H2 TIP3 846 25.381 -40.886 37.986 0.00 0.00 WAT1 ATOM 4519 OH2 TIP3 847 24.345 -38.115 37.365 0.00 0.00 WAT1 ATOM 4520 H1 TIP3 847 23.480 -38.043 37.769 0.00 0.00 WAT1 ATOM 4521 H2 TIP3 847 24.290 -37.568 36.581 0.00 0.00 WAT1 ATOM 4522 OH2 TIP3 848 23.434 -40.382 33.901 0.00 0.00 WAT1 ATOM 4523 H1 TIP3 848 23.215 -41.298 34.070 0.00 0.00 WAT1 ATOM 4524 H2 TIP3 848 24.258 -40.242 34.367 0.00 0.00 WAT1 ATOM 4525 OH2 TIP3 849 25.971 -39.912 34.749 0.00 0.00 WAT1 ATOM 4526 H1 TIP3 849 26.184 -40.800 34.462 0.00 0.00 WAT1 ATOM 4527 H2 TIP3 849 26.036 -39.946 35.704 0.00 0.00 WAT1 ATOM 4528 OH2 TIP3 850 29.408 -38.658 26.814 0.00 0.00 WAT1 ATOM 4529 H1 TIP3 850 30.274 -38.292 26.636 0.00 0.00 WAT1 ATOM 4530 H2 TIP3 850 29.161 -39.098 26.001 0.00 0.00 WAT1 ATOM 4531 OH2 TIP3 851 23.054 -42.943 45.489 0.00 0.00 WAT1 ATOM 4532 H1 TIP3 851 23.646 -42.244 45.765 0.00 0.00 WAT1 ATOM 4533 H2 TIP3 851 23.513 -43.376 44.770 0.00 0.00 WAT1 ATOM 4534 OH2 TIP3 852 21.108 -41.557 49.439 0.00 0.00 WAT1 ATOM 4535 H1 TIP3 852 20.276 -41.084 49.466 0.00 0.00 WAT1 ATOM 4536 H2 TIP3 852 21.654 -41.047 48.840 0.00 0.00 WAT1 ATOM 4537 OH2 TIP3 853 20.331 -43.248 44.908 0.00 0.00 WAT1 ATOM 4538 H1 TIP3 853 21.245 -43.169 45.181 0.00 0.00 WAT1 ATOM 4539 H2 TIP3 853 20.338 -43.935 44.241 0.00 0.00 WAT1 ATOM 4540 OH2 TIP3 854 18.980 -37.855 49.985 0.00 0.00 WAT1 ATOM 4541 H1 TIP3 854 18.333 -38.317 49.452 0.00 0.00 WAT1 ATOM 4542 H2 TIP3 854 19.335 -38.527 50.568 0.00 0.00 WAT1 ATOM 4543 OH2 TIP3 855 20.544 -39.868 47.273 0.00 0.00 WAT1 ATOM 4544 H1 TIP3 855 19.859 -39.906 46.605 0.00 0.00 WAT1 ATOM 4545 H2 TIP3 855 20.547 -38.955 47.561 0.00 0.00 WAT1 ATOM 4546 OH2 TIP3 856 22.362 -38.948 44.298 0.00 0.00 WAT1 ATOM 4547 H1 TIP3 856 22.094 -38.661 45.171 0.00 0.00 WAT1 ATOM 4548 H2 TIP3 856 23.133 -39.494 44.450 0.00 0.00 WAT1 ATOM 4549 OH2 TIP3 857 24.143 -22.278 3.363 0.00 0.00 WAT1 ATOM 4550 H1 TIP3 857 24.151 -22.414 2.415 0.00 0.00 WAT1 ATOM 4551 H2 TIP3 857 23.227 -22.396 3.615 0.00 0.00 WAT1 ATOM 4552 OH2 TIP3 858 21.989 -24.762 1.696 0.00 0.00 WAT1 ATOM 4553 H1 TIP3 858 22.206 -25.123 2.556 0.00 0.00 WAT1 ATOM 4554 H2 TIP3 858 21.134 -25.136 1.486 0.00 0.00 WAT1 ATOM 4555 OH2 TIP3 859 22.568 -26.297 3.934 0.00 0.00 WAT1 ATOM 4556 H1 TIP3 859 23.301 -26.043 4.495 0.00 0.00 WAT1 ATOM 4557 H2 TIP3 859 21.788 -26.093 4.449 0.00 0.00 WAT1 ATOM 4558 OH2 TIP3 860 21.186 -21.975 -0.152 0.00 0.00 WAT1 ATOM 4559 H1 TIP3 860 21.403 -22.907 -0.183 0.00 0.00 WAT1 ATOM 4560 H2 TIP3 860 21.433 -21.701 0.732 0.00 0.00 WAT1 ATOM 4561 OH2 TIP3 861 24.994 -21.169 5.821 0.00 0.00 WAT1 ATOM 4562 H1 TIP3 861 25.762 -21.628 6.162 0.00 0.00 WAT1 ATOM 4563 H2 TIP3 861 24.973 -21.395 4.891 0.00 0.00 WAT1 ATOM 4564 OH2 TIP3 862 20.304 -26.278 5.155 0.00 0.00 WAT1 ATOM 4565 H1 TIP3 862 20.448 -27.180 4.869 0.00 0.00 WAT1 ATOM 4566 H2 TIP3 862 19.531 -25.992 4.667 0.00 0.00 WAT1 ATOM 4567 OH2 TIP3 863 21.522 -23.090 4.317 0.00 0.00 WAT1 ATOM 4568 H1 TIP3 863 20.701 -22.915 3.857 0.00 0.00 WAT1 ATOM 4569 H2 TIP3 863 21.270 -23.163 5.238 0.00 0.00 WAT1 ATOM 4570 OH2 TIP3 864 21.878 -18.859 0.623 0.00 0.00 WAT1 ATOM 4571 H1 TIP3 864 21.158 -18.419 0.172 0.00 0.00 WAT1 ATOM 4572 H2 TIP3 864 21.512 -19.110 1.472 0.00 0.00 WAT1 ATOM 4573 OH2 TIP3 865 19.720 -30.622 11.758 0.00 0.00 WAT1 ATOM 4574 H1 TIP3 865 19.272 -29.776 11.740 0.00 0.00 WAT1 ATOM 4575 H2 TIP3 865 19.159 -31.202 11.243 0.00 0.00 WAT1 ATOM 4576 OH2 TIP3 866 30.635 -20.303 14.751 0.00 0.00 WAT1 ATOM 4577 H1 TIP3 866 31.255 -20.980 14.478 0.00 0.00 WAT1 ATOM 4578 H2 TIP3 866 30.427 -20.521 15.659 0.00 0.00 WAT1 ATOM 4579 OH2 TIP3 867 28.207 -25.914 16.643 0.00 0.00 WAT1 ATOM 4580 H1 TIP3 867 28.511 -26.600 16.049 0.00 0.00 WAT1 ATOM 4581 H2 TIP3 867 28.929 -25.796 17.261 0.00 0.00 WAT1 ATOM 4582 OH2 TIP3 868 24.503 -33.419 14.243 0.00 0.00 WAT1 ATOM 4583 H1 TIP3 868 24.546 -32.559 13.825 0.00 0.00 WAT1 ATOM 4584 H2 TIP3 868 24.045 -33.971 13.610 0.00 0.00 WAT1 ATOM 4585 OH2 TIP3 869 21.123 -31.022 15.005 0.00 0.00 WAT1 ATOM 4586 H1 TIP3 869 21.777 -31.572 15.437 0.00 0.00 WAT1 ATOM 4587 H2 TIP3 869 21.147 -31.296 14.089 0.00 0.00 WAT1 ATOM 4588 OH2 TIP3 870 26.279 -29.472 14.221 0.00 0.00 WAT1 ATOM 4589 H1 TIP3 870 26.895 -29.998 14.730 0.00 0.00 WAT1 ATOM 4590 H2 TIP3 870 25.693 -30.112 13.817 0.00 0.00 WAT1 ATOM 4591 OH2 TIP3 871 25.882 -26.825 18.605 0.00 0.00 WAT1 ATOM 4592 H1 TIP3 871 25.142 -26.227 18.708 0.00 0.00 WAT1 ATOM 4593 H2 TIP3 871 26.596 -26.271 18.289 0.00 0.00 WAT1 ATOM 4594 OH2 TIP3 872 22.907 -32.609 16.270 0.00 0.00 WAT1 ATOM 4595 H1 TIP3 872 23.520 -31.976 16.643 0.00 0.00 WAT1 ATOM 4596 H2 TIP3 872 23.419 -33.081 15.613 0.00 0.00 WAT1 ATOM 4597 OH2 TIP3 873 34.036 -23.568 16.887 0.00 0.00 WAT1 ATOM 4598 H1 TIP3 873 33.094 -23.510 17.048 0.00 0.00 WAT1 ATOM 4599 H2 TIP3 873 34.312 -22.662 16.750 0.00 0.00 WAT1 ATOM 4600 OH2 TIP3 874 27.339 -37.195 15.770 0.00 0.00 WAT1 ATOM 4601 H1 TIP3 874 27.222 -38.144 15.716 0.00 0.00 WAT1 ATOM 4602 H2 TIP3 874 26.484 -36.863 16.043 0.00 0.00 WAT1 ATOM 4603 OH2 TIP3 875 26.024 -24.090 15.786 0.00 0.00 WAT1 ATOM 4604 H1 TIP3 875 25.929 -24.668 15.029 0.00 0.00 WAT1 ATOM 4605 H2 TIP3 875 26.753 -24.461 16.282 0.00 0.00 WAT1 ATOM 4606 OH2 TIP3 876 25.024 -28.749 16.738 0.00 0.00 WAT1 ATOM 4607 H1 TIP3 876 25.589 -28.628 15.975 0.00 0.00 WAT1 ATOM 4608 H2 TIP3 876 25.343 -28.112 17.377 0.00 0.00 WAT1 ATOM 4609 OH2 TIP3 877 31.333 -23.246 17.472 0.00 0.00 WAT1 ATOM 4610 H1 TIP3 877 31.092 -22.584 18.120 0.00 0.00 WAT1 ATOM 4611 H2 TIP3 877 31.135 -24.080 17.897 0.00 0.00 WAT1 ATOM 4612 OH2 TIP3 878 23.647 -28.448 10.694 0.00 0.00 WAT1 ATOM 4613 H1 TIP3 878 23.355 -27.680 10.203 0.00 0.00 WAT1 ATOM 4614 H2 TIP3 878 22.973 -29.108 10.531 0.00 0.00 WAT1 ATOM 4615 OH2 TIP3 879 22.735 -20.504 12.538 0.00 0.00 WAT1 ATOM 4616 H1 TIP3 879 22.887 -20.852 13.417 0.00 0.00 WAT1 ATOM 4617 H2 TIP3 879 21.884 -20.860 12.283 0.00 0.00 WAT1 ATOM 4618 OH2 TIP3 880 29.271 -36.570 19.922 0.00 0.00 WAT1 ATOM 4619 H1 TIP3 880 29.691 -36.985 20.675 0.00 0.00 WAT1 ATOM 4620 H2 TIP3 880 28.338 -36.748 20.039 0.00 0.00 WAT1 ATOM 4621 OH2 TIP3 881 24.699 -31.326 17.643 0.00 0.00 WAT1 ATOM 4622 H1 TIP3 881 24.057 -31.367 18.352 0.00 0.00 WAT1 ATOM 4623 H2 TIP3 881 24.736 -30.400 17.405 0.00 0.00 WAT1 ATOM 4624 OH2 TIP3 882 24.696 -31.105 12.555 0.00 0.00 WAT1 ATOM 4625 H1 TIP3 882 23.803 -31.446 12.496 0.00 0.00 WAT1 ATOM 4626 H2 TIP3 882 25.147 -31.482 11.799 0.00 0.00 WAT1 ATOM 4627 OH2 TIP3 883 29.334 -30.514 22.860 0.00 0.00 WAT1 ATOM 4628 H1 TIP3 883 28.771 -31.218 23.180 0.00 0.00 WAT1 ATOM 4629 H2 TIP3 883 30.160 -30.634 23.327 0.00 0.00 WAT1 ATOM 4630 OH2 TIP3 884 22.449 -31.006 19.510 0.00 0.00 WAT1 ATOM 4631 H1 TIP3 884 22.411 -30.606 20.378 0.00 0.00 WAT1 ATOM 4632 H2 TIP3 884 21.958 -31.823 19.600 0.00 0.00 WAT1 ATOM 4633 OH2 TIP3 885 20.332 -33.144 8.784 0.00 0.00 WAT1 ATOM 4634 H1 TIP3 885 20.806 -32.553 8.199 0.00 0.00 WAT1 ATOM 4635 H2 TIP3 885 19.614 -32.613 9.131 0.00 0.00 WAT1 ATOM 4636 OH2 TIP3 886 27.278 -33.678 13.641 0.00 0.00 WAT1 ATOM 4637 H1 TIP3 886 26.367 -33.621 13.930 0.00 0.00 WAT1 ATOM 4638 H2 TIP3 886 27.783 -33.738 14.452 0.00 0.00 WAT1 ATOM 4639 OH2 TIP3 887 22.106 -32.049 12.468 0.00 0.00 WAT1 ATOM 4640 H1 TIP3 887 21.217 -31.949 12.128 0.00 0.00 WAT1 ATOM 4641 H2 TIP3 887 22.402 -32.891 12.122 0.00 0.00 WAT1 ATOM 4642 OH2 TIP3 888 23.600 -34.754 11.946 0.00 0.00 WAT1 ATOM 4643 H1 TIP3 888 23.283 -35.656 11.911 0.00 0.00 WAT1 ATOM 4644 H2 TIP3 888 24.381 -34.752 11.394 0.00 0.00 WAT1 ATOM 4645 OH2 TIP3 889 27.224 -32.502 17.942 0.00 0.00 WAT1 ATOM 4646 H1 TIP3 889 26.389 -32.048 18.052 0.00 0.00 WAT1 ATOM 4647 H2 TIP3 889 27.748 -32.226 18.694 0.00 0.00 WAT1 ATOM 4648 OH2 TIP3 890 29.288 -26.105 20.864 0.00 0.00 WAT1 ATOM 4649 H1 TIP3 890 28.942 -26.486 21.670 0.00 0.00 WAT1 ATOM 4650 H2 TIP3 890 29.088 -25.171 20.935 0.00 0.00 WAT1 ATOM 4651 OH2 TIP3 891 26.918 -29.016 22.924 0.00 0.00 WAT1 ATOM 4652 H1 TIP3 891 26.622 -29.182 22.029 0.00 0.00 WAT1 ATOM 4653 H2 TIP3 891 27.849 -29.236 22.914 0.00 0.00 WAT1 ATOM 4654 OH2 TIP3 892 31.538 -23.643 20.814 0.00 0.00 WAT1 ATOM 4655 H1 TIP3 892 30.637 -23.460 20.546 0.00 0.00 WAT1 ATOM 4656 H2 TIP3 892 31.572 -23.384 21.735 0.00 0.00 WAT1 ATOM 4657 OH2 TIP3 893 25.268 -23.476 12.801 0.00 0.00 WAT1 ATOM 4658 H1 TIP3 893 25.795 -22.703 12.600 0.00 0.00 WAT1 ATOM 4659 H2 TIP3 893 24.388 -23.251 12.499 0.00 0.00 WAT1 ATOM 4660 OH2 TIP3 894 21.023 -28.614 7.388 0.00 0.00 WAT1 ATOM 4661 H1 TIP3 894 21.639 -27.987 7.767 0.00 0.00 WAT1 ATOM 4662 H2 TIP3 894 20.161 -28.298 7.659 0.00 0.00 WAT1 ATOM 4663 OH2 TIP3 895 26.695 -25.813 12.377 0.00 0.00 WAT1 ATOM 4664 H1 TIP3 895 26.454 -24.888 12.419 0.00 0.00 WAT1 ATOM 4665 H2 TIP3 895 25.955 -26.272 12.773 0.00 0.00 WAT1 ATOM 4666 OH2 TIP3 896 25.379 -20.791 11.922 0.00 0.00 WAT1 ATOM 4667 H1 TIP3 896 24.429 -20.686 11.974 0.00 0.00 WAT1 ATOM 4668 H2 TIP3 896 25.730 -19.971 12.267 0.00 0.00 WAT1 ATOM 4669 OH2 TIP3 897 30.754 -25.565 18.393 0.00 0.00 WAT1 ATOM 4670 H1 TIP3 897 30.328 -25.792 19.219 0.00 0.00 WAT1 ATOM 4671 H2 TIP3 897 31.335 -26.303 18.210 0.00 0.00 WAT1 ATOM 4672 OH2 TIP3 898 33.413 -21.013 20.862 0.00 0.00 WAT1 ATOM 4673 H1 TIP3 898 32.811 -21.568 20.367 0.00 0.00 WAT1 ATOM 4674 H2 TIP3 898 33.694 -20.346 20.236 0.00 0.00 WAT1 ATOM 4675 OH2 TIP3 899 25.985 -23.954 8.370 0.00 0.00 WAT1 ATOM 4676 H1 TIP3 899 26.132 -24.474 9.160 0.00 0.00 WAT1 ATOM 4677 H2 TIP3 899 25.982 -23.047 8.676 0.00 0.00 WAT1 ATOM 4678 OH2 TIP3 900 22.438 -26.701 8.880 0.00 0.00 WAT1 ATOM 4679 H1 TIP3 900 21.752 -26.349 9.447 0.00 0.00 WAT1 ATOM 4680 H2 TIP3 900 22.961 -25.938 8.634 0.00 0.00 WAT1 ATOM 4681 OH2 TIP3 901 30.270 -34.039 19.159 0.00 0.00 WAT1 ATOM 4682 H1 TIP3 901 30.968 -33.965 19.809 0.00 0.00 WAT1 ATOM 4683 H2 TIP3 901 29.889 -34.903 19.314 0.00 0.00 WAT1 ATOM 4684 OH2 TIP3 902 28.790 -31.673 20.276 0.00 0.00 WAT1 ATOM 4685 H1 TIP3 902 28.909 -31.099 21.033 0.00 0.00 WAT1 ATOM 4686 H2 TIP3 902 29.445 -32.361 20.391 0.00 0.00 WAT1 ATOM 4687 OH2 TIP3 903 26.061 -21.213 9.101 0.00 0.00 WAT1 ATOM 4688 H1 TIP3 903 26.222 -20.413 8.600 0.00 0.00 WAT1 ATOM 4689 H2 TIP3 903 25.864 -20.906 9.986 0.00 0.00 WAT1 ATOM 4690 OH2 TIP3 904 23.054 -24.087 7.777 0.00 0.00 WAT1 ATOM 4691 H1 TIP3 904 23.646 -23.388 8.053 0.00 0.00 WAT1 ATOM 4692 H2 TIP3 904 23.513 -24.520 7.058 0.00 0.00 WAT1 ATOM 4693 OH2 TIP3 905 31.571 -22.789 23.406 0.00 0.00 WAT1 ATOM 4694 H1 TIP3 905 31.220 -23.645 23.649 0.00 0.00 WAT1 ATOM 4695 H2 TIP3 905 32.297 -22.646 24.013 0.00 0.00 WAT1 ATOM 4696 OH2 TIP3 906 24.645 -25.934 6.143 0.00 0.00 WAT1 ATOM 4697 H1 TIP3 906 24.709 -26.728 6.674 0.00 0.00 WAT1 ATOM 4698 H2 TIP3 906 25.298 -26.053 5.454 0.00 0.00 WAT1 ATOM 4699 OH2 TIP3 907 26.959 -26.308 23.444 0.00 0.00 WAT1 ATOM 4700 H1 TIP3 907 26.631 -26.037 22.586 0.00 0.00 WAT1 ATOM 4701 H2 TIP3 907 27.111 -27.249 23.356 0.00 0.00 WAT1 ATOM 4702 OH2 TIP3 908 32.694 -26.392 20.827 0.00 0.00 WAT1 ATOM 4703 H1 TIP3 908 33.439 -25.804 20.707 0.00 0.00 WAT1 ATOM 4704 H2 TIP3 908 31.937 -25.810 20.890 0.00 0.00 WAT1 ATOM 4705 OH2 TIP3 909 25.083 -30.069 20.805 0.00 0.00 WAT1 ATOM 4706 H1 TIP3 909 24.465 -29.394 21.086 0.00 0.00 WAT1 ATOM 4707 H2 TIP3 909 25.427 -29.748 19.972 0.00 0.00 WAT1 ATOM 4708 OH2 TIP3 910 30.103 -27.598 24.083 0.00 0.00 WAT1 ATOM 4709 H1 TIP3 910 31.056 -27.514 24.055 0.00 0.00 WAT1 ATOM 4710 H2 TIP3 910 29.943 -28.309 24.702 0.00 0.00 WAT1 ATOM 4711 OH2 TIP3 911 27.417 -28.905 19.620 0.00 0.00 WAT1 ATOM 4712 H1 TIP3 911 28.168 -29.061 19.047 0.00 0.00 WAT1 ATOM 4713 H2 TIP3 911 27.078 -28.053 19.344 0.00 0.00 WAT1 ATOM 4714 OH2 TIP3 912 26.641 -36.888 19.812 0.00 0.00 WAT1 ATOM 4715 H1 TIP3 912 26.543 -35.941 19.706 0.00 0.00 WAT1 ATOM 4716 H2 TIP3 912 25.898 -37.260 19.336 0.00 0.00 WAT1 ATOM 4717 OH2 TIP3 913 27.905 -32.566 23.375 0.00 0.00 WAT1 ATOM 4718 H1 TIP3 913 27.669 -32.786 24.277 0.00 0.00 WAT1 ATOM 4719 H2 TIP3 913 27.122 -32.773 22.866 0.00 0.00 WAT1 ATOM 4720 OH2 TIP3 914 26.863 -37.594 22.483 0.00 0.00 WAT1 ATOM 4721 H1 TIP3 914 27.575 -38.234 22.469 0.00 0.00 WAT1 ATOM 4722 H2 TIP3 914 26.762 -37.327 21.569 0.00 0.00 WAT1 ATOM 4723 OH2 TIP3 915 27.216 -35.911 24.537 0.00 0.00 WAT1 ATOM 4724 H1 TIP3 915 27.085 -36.387 23.716 0.00 0.00 WAT1 ATOM 4725 H2 TIP3 915 26.617 -35.167 24.481 0.00 0.00 WAT1 ATOM 4726 OH2 TIP3 916 26.763 -19.028 7.713 0.00 0.00 WAT1 ATOM 4727 H1 TIP3 916 27.696 -18.870 7.857 0.00 0.00 WAT1 ATOM 4728 H2 TIP3 916 26.499 -18.353 7.088 0.00 0.00 WAT1 ATOM 4729 OH2 TIP3 917 31.132 -19.431 21.635 0.00 0.00 WAT1 ATOM 4730 H1 TIP3 917 31.809 -20.063 21.395 0.00 0.00 WAT1 ATOM 4731 H2 TIP3 917 31.454 -19.029 22.443 0.00 0.00 WAT1 ATOM 4732 OH2 TIP3 918 31.383 -20.493 18.630 0.00 0.00 WAT1 ATOM 4733 H1 TIP3 918 30.479 -20.328 18.364 0.00 0.00 WAT1 ATOM 4734 H2 TIP3 918 31.812 -19.640 18.564 0.00 0.00 WAT1 ATOM 4735 OH2 TIP3 919 33.988 -18.923 18.925 0.00 0.00 WAT1 ATOM 4736 H1 TIP3 919 33.806 -18.007 18.714 0.00 0.00 WAT1 ATOM 4737 H2 TIP3 919 34.164 -19.333 18.078 0.00 0.00 WAT1 ATOM 4738 OH2 TIP3 920 23.434 -21.526 15.045 0.00 0.00 WAT1 ATOM 4739 H1 TIP3 920 23.215 -22.442 15.214 0.00 0.00 WAT1 ATOM 4740 H2 TIP3 920 24.258 -21.386 15.511 0.00 0.00 WAT1 ATOM 4741 OH2 TIP3 921 21.806 -36.758 12.860 0.00 0.00 WAT1 ATOM 4742 H1 TIP3 921 21.029 -36.992 12.352 0.00 0.00 WAT1 ATOM 4743 H2 TIP3 921 22.337 -37.555 12.868 0.00 0.00 WAT1 ATOM 4744 OH2 TIP3 922 20.643 -36.960 8.663 0.00 0.00 WAT1 ATOM 4745 H1 TIP3 922 21.082 -36.349 8.072 0.00 0.00 WAT1 ATOM 4746 H2 TIP3 922 20.009 -36.422 9.137 0.00 0.00 WAT1 ATOM 4747 OH2 TIP3 923 26.386 -36.831 12.673 0.00 0.00 WAT1 ATOM 4748 H1 TIP3 923 27.260 -36.443 12.643 0.00 0.00 WAT1 ATOM 4749 H2 TIP3 923 26.250 -37.046 13.596 0.00 0.00 WAT1 ATOM 4750 OH2 TIP3 924 22.186 -28.732 36.686 0.00 0.00 WAT1 ATOM 4751 H1 TIP3 924 22.228 -29.358 37.410 0.00 0.00 WAT1 ATOM 4752 H2 TIP3 924 22.889 -28.109 36.868 0.00 0.00 WAT1 ATOM 4753 OH2 TIP3 925 23.110 -24.282 35.221 0.00 0.00 WAT1 ATOM 4754 H1 TIP3 925 22.740 -25.084 34.852 0.00 0.00 WAT1 ATOM 4755 H2 TIP3 925 24.051 -24.451 35.268 0.00 0.00 WAT1 ATOM 4756 OH2 TIP3 926 26.279 -29.472 33.077 0.00 0.00 WAT1 ATOM 4757 H1 TIP3 926 26.895 -29.998 33.586 0.00 0.00 WAT1 ATOM 4758 H2 TIP3 926 25.693 -30.112 32.673 0.00 0.00 WAT1 ATOM 4759 OH2 TIP3 927 23.313 -34.501 37.173 0.00 0.00 WAT1 ATOM 4760 H1 TIP3 927 23.094 -33.971 36.407 0.00 0.00 WAT1 ATOM 4761 H2 TIP3 927 22.645 -34.274 37.821 0.00 0.00 WAT1 ATOM 4762 OH2 TIP3 928 27.339 -37.195 34.626 0.00 0.00 WAT1 ATOM 4763 H1 TIP3 928 27.222 -38.144 34.572 0.00 0.00 WAT1 ATOM 4764 H2 TIP3 928 26.484 -36.863 34.899 0.00 0.00 WAT1 ATOM 4765 OH2 TIP3 929 29.660 -29.900 26.165 0.00 0.00 WAT1 ATOM 4766 H1 TIP3 929 30.361 -29.878 26.816 0.00 0.00 WAT1 ATOM 4767 H2 TIP3 929 29.962 -30.528 25.509 0.00 0.00 WAT1 ATOM 4768 OH2 TIP3 930 24.657 -27.518 31.961 0.00 0.00 WAT1 ATOM 4769 H1 TIP3 930 24.327 -27.888 31.142 0.00 0.00 WAT1 ATOM 4770 H2 TIP3 930 25.245 -28.188 32.307 0.00 0.00 WAT1 ATOM 4771 OH2 TIP3 931 25.024 -28.749 35.594 0.00 0.00 WAT1 ATOM 4772 H1 TIP3 931 25.589 -28.628 34.831 0.00 0.00 WAT1 ATOM 4773 H2 TIP3 931 25.343 -28.112 36.233 0.00 0.00 WAT1 ATOM 4774 OH2 TIP3 932 22.824 -28.152 39.540 0.00 0.00 WAT1 ATOM 4775 H1 TIP3 932 22.894 -27.501 40.238 0.00 0.00 WAT1 ATOM 4776 H2 TIP3 932 21.933 -28.049 39.205 0.00 0.00 WAT1 ATOM 4777 OH2 TIP3 933 19.740 -26.085 38.365 0.00 0.00 WAT1 ATOM 4778 H1 TIP3 933 19.239 -26.113 37.550 0.00 0.00 WAT1 ATOM 4779 H2 TIP3 933 19.746 -26.991 38.675 0.00 0.00 WAT1 ATOM 4780 OH2 TIP3 934 19.491 -23.305 35.249 0.00 0.00 WAT1 ATOM 4781 H1 TIP3 934 20.437 -23.449 35.230 0.00 0.00 WAT1 ATOM 4782 H2 TIP3 934 19.378 -22.521 35.786 0.00 0.00 WAT1 ATOM 4783 OH2 TIP3 935 29.081 -19.293 29.613 0.00 0.00 WAT1 ATOM 4784 H1 TIP3 935 29.006 -19.414 28.667 0.00 0.00 WAT1 ATOM 4785 H2 TIP3 935 29.114 -18.343 29.732 0.00 0.00 WAT1 ATOM 4786 OH2 TIP3 936 22.735 -20.504 31.394 0.00 0.00 WAT1 ATOM 4787 H1 TIP3 936 22.887 -20.852 32.273 0.00 0.00 WAT1 ATOM 4788 H2 TIP3 936 21.884 -20.860 31.139 0.00 0.00 WAT1 ATOM 4789 OH2 TIP3 937 32.183 -20.139 26.616 0.00 0.00 WAT1 ATOM 4790 H1 TIP3 937 32.558 -20.883 26.145 0.00 0.00 WAT1 ATOM 4791 H2 TIP3 937 32.187 -20.409 27.534 0.00 0.00 WAT1 ATOM 4792 OH2 TIP3 938 24.608 -36.292 35.404 0.00 0.00 WAT1 ATOM 4793 H1 TIP3 938 23.747 -36.379 34.996 0.00 0.00 WAT1 ATOM 4794 H2 TIP3 938 24.586 -35.436 35.831 0.00 0.00 WAT1 ATOM 4795 OH2 TIP3 939 28.933 -34.077 26.063 0.00 0.00 WAT1 ATOM 4796 H1 TIP3 939 28.679 -34.058 26.986 0.00 0.00 WAT1 ATOM 4797 H2 TIP3 939 28.676 -34.949 25.762 0.00 0.00 WAT1 ATOM 4798 OH2 TIP3 940 24.699 -31.326 36.499 0.00 0.00 WAT1 ATOM 4799 H1 TIP3 940 24.057 -31.367 37.208 0.00 0.00 WAT1 ATOM 4800 H2 TIP3 940 24.736 -30.400 36.261 0.00 0.00 WAT1 ATOM 4801 OH2 TIP3 941 24.696 -31.105 31.411 0.00 0.00 WAT1 ATOM 4802 H1 TIP3 941 23.803 -31.446 31.352 0.00 0.00 WAT1 ATOM 4803 H2 TIP3 941 25.147 -31.482 30.655 0.00 0.00 WAT1 ATOM 4804 OH2 TIP3 942 22.449 -31.006 38.366 0.00 0.00 WAT1 ATOM 4805 H1 TIP3 942 22.411 -30.606 39.234 0.00 0.00 WAT1 ATOM 4806 H2 TIP3 942 21.958 -31.823 38.456 0.00 0.00 WAT1 ATOM 4807 OH2 TIP3 943 25.815 -33.632 25.164 0.00 0.00 WAT1 ATOM 4808 H1 TIP3 943 25.384 -34.077 25.894 0.00 0.00 WAT1 ATOM 4809 H2 TIP3 943 25.097 -33.260 24.652 0.00 0.00 WAT1 ATOM 4810 OH2 TIP3 944 27.278 -33.678 32.497 0.00 0.00 WAT1 ATOM 4811 H1 TIP3 944 26.367 -33.621 32.786 0.00 0.00 WAT1 ATOM 4812 H2 TIP3 944 27.783 -33.738 33.308 0.00 0.00 WAT1 ATOM 4813 OH2 TIP3 945 25.759 -32.049 28.980 0.00 0.00 WAT1 ATOM 4814 H1 TIP3 945 26.691 -31.920 29.158 0.00 0.00 WAT1 ATOM 4815 H2 TIP3 945 25.544 -31.379 28.331 0.00 0.00 WAT1 ATOM 4816 OH2 TIP3 946 28.598 -30.890 34.384 0.00 0.00 WAT1 ATOM 4817 H1 TIP3 946 29.162 -31.437 33.837 0.00 0.00 WAT1 ATOM 4818 H2 TIP3 946 28.450 -31.412 35.173 0.00 0.00 WAT1 ATOM 4819 OH2 TIP3 947 27.224 -32.502 36.798 0.00 0.00 WAT1 ATOM 4820 H1 TIP3 947 26.389 -32.048 36.908 0.00 0.00 WAT1 ATOM 4821 H2 TIP3 947 27.748 -32.226 37.550 0.00 0.00 WAT1 ATOM 4822 OH2 TIP3 948 27.768 -26.289 28.483 0.00 0.00 WAT1 ATOM 4823 H1 TIP3 948 27.024 -26.796 28.160 0.00 0.00 WAT1 ATOM 4824 H2 TIP3 948 27.634 -26.240 29.429 0.00 0.00 WAT1 ATOM 4825 OH2 TIP3 949 22.893 -26.994 34.252 0.00 0.00 WAT1 ATOM 4826 H1 TIP3 949 23.638 -26.996 33.651 0.00 0.00 WAT1 ATOM 4827 H2 TIP3 949 22.971 -27.818 34.734 0.00 0.00 WAT1 ATOM 4828 OH2 TIP3 950 29.894 -24.830 27.508 0.00 0.00 WAT1 ATOM 4829 H1 TIP3 950 29.599 -24.004 27.890 0.00 0.00 WAT1 ATOM 4830 H2 TIP3 950 29.191 -25.450 27.704 0.00 0.00 WAT1 ATOM 4831 OH2 TIP3 951 19.901 -28.533 39.567 0.00 0.00 WAT1 ATOM 4832 H1 TIP3 951 20.124 -28.951 40.399 0.00 0.00 WAT1 ATOM 4833 H2 TIP3 951 19.299 -29.146 39.145 0.00 0.00 WAT1 ATOM 4834 OH2 TIP3 952 25.268 -23.476 31.657 0.00 0.00 WAT1 ATOM 4835 H1 TIP3 952 25.795 -22.703 31.456 0.00 0.00 WAT1 ATOM 4836 H2 TIP3 952 24.388 -23.251 31.355 0.00 0.00 WAT1 ATOM 4837 OH2 TIP3 953 26.695 -25.813 31.233 0.00 0.00 WAT1 ATOM 4838 H1 TIP3 953 26.454 -24.888 31.275 0.00 0.00 WAT1 ATOM 4839 H2 TIP3 953 25.955 -26.272 31.629 0.00 0.00 WAT1 ATOM 4840 OH2 TIP3 954 27.210 -21.664 37.548 0.00 0.00 WAT1 ATOM 4841 H1 TIP3 954 27.573 -20.809 37.315 0.00 0.00 WAT1 ATOM 4842 H2 TIP3 954 27.742 -21.956 38.289 0.00 0.00 WAT1 ATOM 4843 OH2 TIP3 955 25.379 -20.791 30.778 0.00 0.00 WAT1 ATOM 4844 H1 TIP3 955 24.429 -20.686 30.830 0.00 0.00 WAT1 ATOM 4845 H2 TIP3 955 25.730 -19.971 31.123 0.00 0.00 WAT1 ATOM 4846 OH2 TIP3 956 21.535 -33.780 39.125 0.00 0.00 WAT1 ATOM 4847 H1 TIP3 956 20.642 -33.441 39.058 0.00 0.00 WAT1 ATOM 4848 H2 TIP3 956 21.436 -34.635 39.543 0.00 0.00 WAT1 ATOM 4849 OH2 TIP3 957 21.186 -21.975 37.560 0.00 0.00 WAT1 ATOM 4850 H1 TIP3 957 21.403 -22.907 37.529 0.00 0.00 WAT1 ATOM 4851 H2 TIP3 957 21.433 -21.701 38.444 0.00 0.00 WAT1 ATOM 4852 OH2 TIP3 958 25.985 -23.954 27.226 0.00 0.00 WAT1 ATOM 4853 H1 TIP3 958 26.132 -24.474 28.016 0.00 0.00 WAT1 ATOM 4854 H2 TIP3 958 25.982 -23.047 27.532 0.00 0.00 WAT1 ATOM 4855 OH2 TIP3 959 28.723 -22.256 27.975 0.00 0.00 WAT1 ATOM 4856 H1 TIP3 959 27.906 -21.759 28.028 0.00 0.00 WAT1 ATOM 4857 H2 TIP3 959 29.252 -21.781 27.335 0.00 0.00 WAT1 ATOM 4858 OH2 TIP3 960 28.254 -32.659 29.947 0.00 0.00 WAT1 ATOM 4859 H1 TIP3 960 29.066 -32.155 29.993 0.00 0.00 WAT1 ATOM 4860 H2 TIP3 960 28.009 -32.804 30.861 0.00 0.00 WAT1 ATOM 4861 OH2 TIP3 961 29.138 -35.578 30.885 0.00 0.00 WAT1 ATOM 4862 H1 TIP3 961 28.791 -34.960 31.530 0.00 0.00 WAT1 ATOM 4863 H2 TIP3 961 29.796 -35.077 30.404 0.00 0.00 WAT1 ATOM 4864 OH2 TIP3 962 26.061 -21.213 27.957 0.00 0.00 WAT1 ATOM 4865 H1 TIP3 962 26.222 -20.413 27.456 0.00 0.00 WAT1 ATOM 4866 H2 TIP3 962 25.864 -20.906 28.842 0.00 0.00 WAT1 ATOM 4867 OH2 TIP3 963 24.795 -34.515 27.573 0.00 0.00 WAT1 ATOM 4868 H1 TIP3 963 24.712 -33.626 27.919 0.00 0.00 WAT1 ATOM 4869 H2 TIP3 963 25.685 -34.780 27.804 0.00 0.00 WAT1 ATOM 4870 OH2 TIP3 964 20.397 -20.088 41.913 0.00 0.00 WAT1 ATOM 4871 H1 TIP3 964 20.937 -20.305 42.672 0.00 0.00 WAT1 ATOM 4872 H2 TIP3 964 19.916 -20.894 41.723 0.00 0.00 WAT1 ATOM 4873 OH2 TIP3 965 33.690 -21.844 25.142 0.00 0.00 WAT1 ATOM 4874 H1 TIP3 965 33.973 -22.638 25.595 0.00 0.00 WAT1 ATOM 4875 H2 TIP3 965 34.430 -21.611 24.581 0.00 0.00 WAT1 ATOM 4876 OH2 TIP3 966 29.997 -24.887 24.735 0.00 0.00 WAT1 ATOM 4877 H1 TIP3 966 29.729 -24.707 25.636 0.00 0.00 WAT1 ATOM 4878 H2 TIP3 966 29.791 -25.813 24.604 0.00 0.00 WAT1 ATOM 4879 OH2 TIP3 967 21.136 -29.078 42.287 0.00 0.00 WAT1 ATOM 4880 H1 TIP3 967 21.544 -29.935 42.166 0.00 0.00 WAT1 ATOM 4881 H2 TIP3 967 20.876 -29.063 43.208 0.00 0.00 WAT1 ATOM 4882 OH2 TIP3 968 25.794 -27.962 27.305 0.00 0.00 WAT1 ATOM 4883 H1 TIP3 968 25.335 -28.446 27.991 0.00 0.00 WAT1 ATOM 4884 H2 TIP3 968 26.049 -28.630 26.669 0.00 0.00 WAT1 ATOM 4885 OH2 TIP3 969 26.865 -29.719 25.568 0.00 0.00 WAT1 ATOM 4886 H1 TIP3 969 26.685 -29.873 24.640 0.00 0.00 WAT1 ATOM 4887 H2 TIP3 969 27.816 -29.611 25.612 0.00 0.00 WAT1 ATOM 4888 OH2 TIP3 970 25.835 -34.344 38.236 0.00 0.00 WAT1 ATOM 4889 H1 TIP3 970 26.371 -33.893 37.584 0.00 0.00 WAT1 ATOM 4890 H2 TIP3 970 24.983 -34.452 37.814 0.00 0.00 WAT1 ATOM 4891 OH2 TIP3 971 23.901 -31.516 42.655 0.00 0.00 WAT1 ATOM 4892 H1 TIP3 971 23.134 -32.048 42.445 0.00 0.00 WAT1 ATOM 4893 H2 TIP3 971 24.580 -31.826 42.056 0.00 0.00 WAT1 ATOM 4894 OH2 TIP3 972 26.641 -36.888 38.668 0.00 0.00 WAT1 ATOM 4895 H1 TIP3 972 26.543 -35.941 38.562 0.00 0.00 WAT1 ATOM 4896 H2 TIP3 972 25.898 -37.260 38.192 0.00 0.00 WAT1 ATOM 4897 OH2 TIP3 973 22.082 -33.595 42.360 0.00 0.00 WAT1 ATOM 4898 H1 TIP3 973 22.293 -34.302 41.749 0.00 0.00 WAT1 ATOM 4899 H2 TIP3 973 21.970 -34.033 43.204 0.00 0.00 WAT1 ATOM 4900 OH2 TIP3 974 26.863 -37.594 41.339 0.00 0.00 WAT1 ATOM 4901 H1 TIP3 974 27.575 -38.234 41.325 0.00 0.00 WAT1 ATOM 4902 H2 TIP3 974 26.762 -37.327 40.425 0.00 0.00 WAT1 ATOM 4903 OH2 TIP3 975 26.763 -19.028 26.569 0.00 0.00 WAT1 ATOM 4904 H1 TIP3 975 27.696 -18.870 26.713 0.00 0.00 WAT1 ATOM 4905 H2 TIP3 975 26.499 -18.353 25.944 0.00 0.00 WAT1 ATOM 4906 OH2 TIP3 976 24.476 -22.115 38.288 0.00 0.00 WAT1 ATOM 4907 H1 TIP3 976 24.051 -21.306 38.005 0.00 0.00 WAT1 ATOM 4908 H2 TIP3 976 25.381 -22.030 37.986 0.00 0.00 WAT1 ATOM 4909 OH2 TIP3 977 21.878 -18.859 38.335 0.00 0.00 WAT1 ATOM 4910 H1 TIP3 977 21.158 -18.419 37.884 0.00 0.00 WAT1 ATOM 4911 H2 TIP3 977 21.512 -19.110 39.184 0.00 0.00 WAT1 ATOM 4912 OH2 TIP3 978 24.345 -19.259 37.365 0.00 0.00 WAT1 ATOM 4913 H1 TIP3 978 23.480 -19.187 37.769 0.00 0.00 WAT1 ATOM 4914 H2 TIP3 978 24.290 -18.712 36.581 0.00 0.00 WAT1 ATOM 4915 OH2 TIP3 979 29.056 -19.371 36.541 0.00 0.00 WAT1 ATOM 4916 H1 TIP3 979 28.599 -18.842 35.887 0.00 0.00 WAT1 ATOM 4917 H2 TIP3 979 29.219 -18.768 37.266 0.00 0.00 WAT1 ATOM 4918 OH2 TIP3 980 23.434 -21.526 33.901 0.00 0.00 WAT1 ATOM 4919 H1 TIP3 980 23.215 -22.442 34.070 0.00 0.00 WAT1 ATOM 4920 H2 TIP3 980 24.258 -21.386 34.367 0.00 0.00 WAT1 ATOM 4921 OH2 TIP3 981 25.971 -21.056 34.749 0.00 0.00 WAT1 ATOM 4922 H1 TIP3 981 26.184 -21.944 34.462 0.00 0.00 WAT1 ATOM 4923 H2 TIP3 981 26.036 -21.090 35.704 0.00 0.00 WAT1 ATOM 4924 OH2 TIP3 982 26.386 -36.831 31.529 0.00 0.00 WAT1 ATOM 4925 H1 TIP3 982 27.260 -36.443 31.499 0.00 0.00 WAT1 ATOM 4926 H2 TIP3 982 26.250 -37.046 32.452 0.00 0.00 WAT1 ATOM 4927 OH2 TIP3 983 27.530 -34.751 28.419 0.00 0.00 WAT1 ATOM 4928 H1 TIP3 983 27.708 -35.397 29.102 0.00 0.00 WAT1 ATOM 4929 H2 TIP3 983 27.476 -33.917 28.886 0.00 0.00 WAT1 ATOM 4930 OH2 TIP3 984 29.408 -19.802 26.814 0.00 0.00 WAT1 ATOM 4931 H1 TIP3 984 30.274 -19.436 26.636 0.00 0.00 WAT1 ATOM 4932 H2 TIP3 984 29.161 -20.242 26.001 0.00 0.00 WAT1 ATOM 4933 OH2 TIP3 985 23.737 -36.893 42.769 0.00 0.00 WAT1 ATOM 4934 H1 TIP3 985 24.636 -37.167 42.584 0.00 0.00 WAT1 ATOM 4935 H2 TIP3 985 23.351 -37.636 43.233 0.00 0.00 WAT1 ATOM 4936 OH2 TIP3 986 19.720 -30.622 49.470 0.00 0.00 WAT1 ATOM 4937 H1 TIP3 986 19.272 -29.776 49.452 0.00 0.00 WAT1 ATOM 4938 H2 TIP3 986 19.159 -31.202 48.955 0.00 0.00 WAT1 ATOM 4939 OH2 TIP3 987 25.815 -33.632 44.020 0.00 0.00 WAT1 ATOM 4940 H1 TIP3 987 25.384 -34.077 44.750 0.00 0.00 WAT1 ATOM 4941 H2 TIP3 987 25.097 -33.260 43.508 0.00 0.00 WAT1 ATOM 4942 OH2 TIP3 988 19.057 -33.890 51.072 0.00 0.00 WAT1 ATOM 4943 H1 TIP3 988 19.688 -33.919 51.792 0.00 0.00 WAT1 ATOM 4944 H2 TIP3 988 19.507 -34.315 50.342 0.00 0.00 WAT1 ATOM 4945 OH2 TIP3 989 22.106 -32.049 50.180 0.00 0.00 WAT1 ATOM 4946 H1 TIP3 989 21.217 -31.949 49.840 0.00 0.00 WAT1 ATOM 4947 H2 TIP3 989 22.402 -32.891 49.834 0.00 0.00 WAT1 ATOM 4948 OH2 TIP3 990 24.433 -30.854 45.403 0.00 0.00 WAT1 ATOM 4949 H1 TIP3 990 23.891 -31.234 44.712 0.00 0.00 WAT1 ATOM 4950 H2 TIP3 990 25.267 -30.660 44.974 0.00 0.00 WAT1 ATOM 4951 OH2 TIP3 991 23.600 -34.754 49.658 0.00 0.00 WAT1 ATOM 4952 H1 TIP3 991 23.283 -35.656 49.623 0.00 0.00 WAT1 ATOM 4953 H2 TIP3 991 24.381 -34.752 49.106 0.00 0.00 WAT1 ATOM 4954 OH2 TIP3 992 21.023 -28.614 45.100 0.00 0.00 WAT1 ATOM 4955 H1 TIP3 992 21.639 -27.987 45.479 0.00 0.00 WAT1 ATOM 4956 H2 TIP3 992 20.161 -28.298 45.371 0.00 0.00 WAT1 ATOM 4957 OH2 TIP3 993 24.795 -34.515 46.429 0.00 0.00 WAT1 ATOM 4958 H1 TIP3 993 24.712 -33.626 46.775 0.00 0.00 WAT1 ATOM 4959 H2 TIP3 993 25.685 -34.780 46.660 0.00 0.00 WAT1 ATOM 4960 OH2 TIP3 994 21.370 -31.423 44.605 0.00 0.00 WAT1 ATOM 4961 H1 TIP3 994 21.325 -30.484 44.784 0.00 0.00 WAT1 ATOM 4962 H2 TIP3 994 20.482 -31.659 44.335 0.00 0.00 WAT1 ATOM 4963 OH2 TIP3 995 21.806 -36.758 50.572 0.00 0.00 WAT1 ATOM 4964 H1 TIP3 995 21.029 -36.992 50.064 0.00 0.00 WAT1 ATOM 4965 H2 TIP3 995 22.337 -37.555 50.580 0.00 0.00 WAT1 ATOM 4966 OH2 TIP3 996 20.643 -36.960 46.375 0.00 0.00 WAT1 ATOM 4967 H1 TIP3 996 21.082 -36.349 45.784 0.00 0.00 WAT1 ATOM 4968 H2 TIP3 996 20.009 -36.422 46.849 0.00 0.00 WAT1 ATOM 4969 OH2 TIP3 997 22.504 -35.044 44.818 0.00 0.00 WAT1 ATOM 4970 H1 TIP3 997 22.995 -35.674 44.290 0.00 0.00 WAT1 ATOM 4971 H2 TIP3 997 23.127 -34.748 45.481 0.00 0.00 WAT1 ATOM 4972 OH2 TIP3 998 21.535 -14.924 1.413 0.00 0.00 WAT1 ATOM 4973 H1 TIP3 998 20.642 -14.585 1.346 0.00 0.00 WAT1 ATOM 4974 H2 TIP3 998 21.436 -15.779 1.831 0.00 0.00 WAT1 ATOM 4975 OH2 TIP3 999 22.082 -14.739 4.648 0.00 0.00 WAT1 ATOM 4976 H1 TIP3 999 22.293 -15.446 4.037 0.00 0.00 WAT1 ATOM 4977 H2 TIP3 999 21.970 -15.177 5.492 0.00 0.00 WAT1 ATOM 4978 OH2 TIP3 1000 19.528 -13.716 3.814 0.00 0.00 WAT1 ATOM 4979 H1 TIP3 1000 20.447 -13.838 4.050 0.00 0.00 WAT1 ATOM 4980 H2 TIP3 1000 19.078 -14.466 4.203 0.00 0.00 WAT1 ATOM 4981 OH2 TIP3 1001 19.330 -17.409 0.173 0.00 0.00 WAT1 ATOM 4982 H1 TIP3 1001 18.665 -17.655 0.816 0.00 0.00 WAT1 ATOM 4983 H2 TIP3 1001 18.887 -16.787 -0.404 0.00 0.00 WAT1 ATOM 4984 OH2 TIP3 1002 21.764 -17.388 3.521 0.00 0.00 WAT1 ATOM 4985 H1 TIP3 1002 21.398 -18.153 3.964 0.00 0.00 WAT1 ATOM 4986 H2 TIP3 1002 22.677 -17.359 3.808 0.00 0.00 WAT1 ATOM 4987 OH2 TIP3 1003 23.737 -18.037 5.057 0.00 0.00 WAT1 ATOM 4988 H1 TIP3 1003 24.636 -18.311 4.872 0.00 0.00 WAT1 ATOM 4989 H2 TIP3 1003 23.351 -18.780 5.521 0.00 0.00 WAT1 ATOM 4990 OH2 TIP3 1004 22.186 -9.876 17.830 0.00 0.00 WAT1 ATOM 4991 H1 TIP3 1004 22.228 -10.502 18.554 0.00 0.00 WAT1 ATOM 4992 H2 TIP3 1004 22.889 -9.253 18.012 0.00 0.00 WAT1 ATOM 4993 OH2 TIP3 1005 19.720 -11.766 11.758 0.00 0.00 WAT1 ATOM 4994 H1 TIP3 1005 19.272 -10.920 11.740 0.00 0.00 WAT1 ATOM 4995 H2 TIP3 1005 19.159 -12.346 11.243 0.00 0.00 WAT1 ATOM 4996 OH2 TIP3 1006 20.430 -9.604 13.884 0.00 0.00 WAT1 ATOM 4997 H1 TIP3 1006 20.644 -10.374 14.411 0.00 0.00 WAT1 ATOM 4998 H2 TIP3 1006 21.168 -9.515 13.281 0.00 0.00 WAT1 ATOM 4999 OH2 TIP3 1007 31.348 -12.664 16.971 0.00 0.00 WAT1 ATOM 5000 H1 TIP3 1007 31.491 -13.611 16.991 0.00 0.00 WAT1 ATOM 5001 H2 TIP3 1007 31.242 -12.457 16.042 0.00 0.00 WAT1 ATOM 5002 OH2 TIP3 1008 24.503 -14.563 14.243 0.00 0.00 WAT1 ATOM 5003 H1 TIP3 1008 24.546 -13.703 13.825 0.00 0.00 WAT1 ATOM 5004 H2 TIP3 1008 24.045 -15.115 13.610 0.00 0.00 WAT1 ATOM 5005 OH2 TIP3 1009 21.123 -12.166 15.005 0.00 0.00 WAT1 ATOM 5006 H1 TIP3 1009 21.777 -12.716 15.437 0.00 0.00 WAT1 ATOM 5007 H2 TIP3 1009 21.147 -12.440 14.089 0.00 0.00 WAT1 ATOM 5008 OH2 TIP3 1010 26.279 -10.616 14.221 0.00 0.00 WAT1 ATOM 5009 H1 TIP3 1010 26.895 -11.142 14.730 0.00 0.00 WAT1 ATOM 5010 H2 TIP3 1010 25.693 -11.256 13.817 0.00 0.00 WAT1 ATOM 5011 OH2 TIP3 1011 25.882 -7.969 18.605 0.00 0.00 WAT1 ATOM 5012 H1 TIP3 1011 25.142 -7.371 18.708 0.00 0.00 WAT1 ATOM 5013 H2 TIP3 1011 26.596 -7.415 18.289 0.00 0.00 WAT1 ATOM 5014 OH2 TIP3 1012 22.907 -13.753 16.270 0.00 0.00 WAT1 ATOM 5015 H1 TIP3 1012 23.520 -13.120 16.643 0.00 0.00 WAT1 ATOM 5016 H2 TIP3 1012 23.419 -14.225 15.613 0.00 0.00 WAT1 ATOM 5017 OH2 TIP3 1013 24.290 -6.005 19.392 0.00 0.00 WAT1 ATOM 5018 H1 TIP3 1013 24.284 -5.126 19.014 0.00 0.00 WAT1 ATOM 5019 H2 TIP3 1013 23.436 -6.088 19.817 0.00 0.00 WAT1 ATOM 5020 OH2 TIP3 1014 32.909 -11.118 20.290 0.00 0.00 WAT1 ATOM 5021 H1 TIP3 1014 32.989 -10.355 20.862 0.00 0.00 WAT1 ATOM 5022 H2 TIP3 1014 32.308 -10.839 19.599 0.00 0.00 WAT1 ATOM 5023 OH2 TIP3 1015 25.024 -9.893 16.738 0.00 0.00 WAT1 ATOM 5024 H1 TIP3 1015 25.589 -9.772 15.975 0.00 0.00 WAT1 ATOM 5025 H2 TIP3 1015 25.343 -9.256 17.377 0.00 0.00 WAT1 ATOM 5026 OH2 TIP3 1016 25.904 -5.494 21.455 0.00 0.00 WAT1 ATOM 5027 H1 TIP3 1016 25.592 -4.712 21.911 0.00 0.00 WAT1 ATOM 5028 H2 TIP3 1016 25.254 -5.647 20.769 0.00 0.00 WAT1 ATOM 5029 OH2 TIP3 1017 24.143 -3.422 22.219 0.00 0.00 WAT1 ATOM 5030 H1 TIP3 1017 24.151 -3.558 21.271 0.00 0.00 WAT1 ATOM 5031 H2 TIP3 1017 23.227 -3.540 22.471 0.00 0.00 WAT1 ATOM 5032 OH2 TIP3 1018 19.740 -7.229 19.509 0.00 0.00 WAT1 ATOM 5033 H1 TIP3 1018 19.239 -7.257 18.694 0.00 0.00 WAT1 ATOM 5034 H2 TIP3 1018 19.746 -8.135 19.819 0.00 0.00 WAT1 ATOM 5035 OH2 TIP3 1019 34.840 -12.290 22.555 0.00 0.00 WAT1 ATOM 5036 H1 TIP3 1019 34.433 -11.809 21.835 0.00 0.00 WAT1 ATOM 5037 H2 TIP3 1019 34.881 -13.195 22.248 0.00 0.00 WAT1 ATOM 5038 OH2 TIP3 1020 21.989 -5.906 20.552 0.00 0.00 WAT1 ATOM 5039 H1 TIP3 1020 22.206 -6.267 21.412 0.00 0.00 WAT1 ATOM 5040 H2 TIP3 1020 21.134 -6.280 20.342 0.00 0.00 WAT1 ATOM 5041 OH2 TIP3 1021 32.597 -13.958 20.776 0.00 0.00 WAT1 ATOM 5042 H1 TIP3 1021 32.083 -14.084 21.573 0.00 0.00 WAT1 ATOM 5043 H2 TIP3 1021 32.442 -13.046 20.531 0.00 0.00 WAT1 ATOM 5044 OH2 TIP3 1022 24.699 -12.470 17.643 0.00 0.00 WAT1 ATOM 5045 H1 TIP3 1022 24.057 -12.511 18.352 0.00 0.00 WAT1 ATOM 5046 H2 TIP3 1022 24.736 -11.544 17.405 0.00 0.00 WAT1 ATOM 5047 OH2 TIP3 1023 24.696 -12.249 12.555 0.00 0.00 WAT1 ATOM 5048 H1 TIP3 1023 23.803 -12.590 12.496 0.00 0.00 WAT1 ATOM 5049 H2 TIP3 1023 25.147 -12.626 11.799 0.00 0.00 WAT1 ATOM 5050 OH2 TIP3 1024 29.334 -11.658 22.860 0.00 0.00 WAT1 ATOM 5051 H1 TIP3 1024 28.771 -12.362 23.180 0.00 0.00 WAT1 ATOM 5052 H2 TIP3 1024 30.160 -11.778 23.327 0.00 0.00 WAT1 ATOM 5053 OH2 TIP3 1025 20.332 -14.288 8.784 0.00 0.00 WAT1 ATOM 5054 H1 TIP3 1025 20.806 -13.697 8.199 0.00 0.00 WAT1 ATOM 5055 H2 TIP3 1025 19.614 -13.757 9.131 0.00 0.00 WAT1 ATOM 5056 OH2 TIP3 1026 30.500 -10.749 18.857 0.00 0.00 WAT1 ATOM 5057 H1 TIP3 1026 30.824 -11.380 18.214 0.00 0.00 WAT1 ATOM 5058 H2 TIP3 1026 30.060 -11.284 19.518 0.00 0.00 WAT1 ATOM 5059 OH2 TIP3 1027 27.278 -14.822 13.641 0.00 0.00 WAT1 ATOM 5060 H1 TIP3 1027 26.367 -14.765 13.930 0.00 0.00 WAT1 ATOM 5061 H2 TIP3 1027 27.783 -14.882 14.452 0.00 0.00 WAT1 ATOM 5062 OH2 TIP3 1028 22.106 -13.193 12.468 0.00 0.00 WAT1 ATOM 5063 H1 TIP3 1028 21.217 -13.093 12.128 0.00 0.00 WAT1 ATOM 5064 H2 TIP3 1028 22.402 -14.035 12.122 0.00 0.00 WAT1 ATOM 5065 OH2 TIP3 1029 31.683 -15.587 16.905 0.00 0.00 WAT1 ATOM 5066 H1 TIP3 1029 31.006 -15.456 17.569 0.00 0.00 WAT1 ATOM 5067 H2 TIP3 1029 31.197 -15.742 16.095 0.00 0.00 WAT1 ATOM 5068 OH2 TIP3 1030 28.598 -12.034 15.528 0.00 0.00 WAT1 ATOM 5069 H1 TIP3 1030 29.162 -12.581 14.981 0.00 0.00 WAT1 ATOM 5070 H2 TIP3 1030 28.450 -12.556 16.317 0.00 0.00 WAT1 ATOM 5071 OH2 TIP3 1031 23.600 -15.898 11.946 0.00 0.00 WAT1 ATOM 5072 H1 TIP3 1031 23.283 -16.800 11.911 0.00 0.00 WAT1 ATOM 5073 H2 TIP3 1031 24.381 -15.896 11.394 0.00 0.00 WAT1 ATOM 5074 OH2 TIP3 1032 29.288 -7.249 20.864 0.00 0.00 WAT1 ATOM 5075 H1 TIP3 1032 28.942 -7.630 21.670 0.00 0.00 WAT1 ATOM 5076 H2 TIP3 1032 29.088 -6.315 20.935 0.00 0.00 WAT1 ATOM 5077 OH2 TIP3 1033 22.893 -8.138 15.396 0.00 0.00 WAT1 ATOM 5078 H1 TIP3 1033 23.638 -8.140 14.795 0.00 0.00 WAT1 ATOM 5079 H2 TIP3 1033 22.971 -8.962 15.878 0.00 0.00 WAT1 ATOM 5080 OH2 TIP3 1034 26.918 -10.160 22.924 0.00 0.00 WAT1 ATOM 5081 H1 TIP3 1034 26.622 -10.326 22.029 0.00 0.00 WAT1 ATOM 5082 H2 TIP3 1034 27.849 -10.380 22.914 0.00 0.00 WAT1 ATOM 5083 OH2 TIP3 1035 30.270 -15.183 19.159 0.00 0.00 WAT1 ATOM 5084 H1 TIP3 1035 30.968 -15.109 19.809 0.00 0.00 WAT1 ATOM 5085 H2 TIP3 1035 29.889 -16.047 19.314 0.00 0.00 WAT1 ATOM 5086 OH2 TIP3 1036 24.795 -15.659 8.717 0.00 0.00 WAT1 ATOM 5087 H1 TIP3 1036 24.712 -14.770 9.063 0.00 0.00 WAT1 ATOM 5088 H2 TIP3 1036 25.685 -15.924 8.948 0.00 0.00 WAT1 ATOM 5089 OH2 TIP3 1037 21.370 -12.567 6.893 0.00 0.00 WAT1 ATOM 5090 H1 TIP3 1037 21.325 -11.628 7.072 0.00 0.00 WAT1 ATOM 5091 H2 TIP3 1037 20.482 -12.803 6.623 0.00 0.00 WAT1 ATOM 5092 OH2 TIP3 1038 20.304 -7.422 24.011 0.00 0.00 WAT1 ATOM 5093 H1 TIP3 1038 20.448 -8.324 23.725 0.00 0.00 WAT1 ATOM 5094 H2 TIP3 1038 19.531 -7.136 23.523 0.00 0.00 WAT1 ATOM 5095 OH2 TIP3 1039 26.959 -7.452 23.444 0.00 0.00 WAT1 ATOM 5096 H1 TIP3 1039 26.631 -7.181 22.586 0.00 0.00 WAT1 ATOM 5097 H2 TIP3 1039 27.111 -8.393 23.356 0.00 0.00 WAT1 ATOM 5098 OH2 TIP3 1040 30.103 -8.742 24.083 0.00 0.00 WAT1 ATOM 5099 H1 TIP3 1040 31.056 -8.658 24.055 0.00 0.00 WAT1 ATOM 5100 H2 TIP3 1040 29.943 -9.453 24.702 0.00 0.00 WAT1 ATOM 5101 OH2 TIP3 1041 27.417 -10.049 19.620 0.00 0.00 WAT1 ATOM 5102 H1 TIP3 1041 28.168 -10.205 19.047 0.00 0.00 WAT1 ATOM 5103 H2 TIP3 1041 27.078 -9.197 19.344 0.00 0.00 WAT1 ATOM 5104 OH2 TIP3 1042 33.149 -9.445 22.726 0.00 0.00 WAT1 ATOM 5105 H1 TIP3 1042 32.868 -8.736 22.148 0.00 0.00 WAT1 ATOM 5106 H2 TIP3 1042 34.092 -9.518 22.575 0.00 0.00 WAT1 ATOM 5107 OH2 TIP3 1043 30.621 -14.583 22.451 0.00 0.00 WAT1 ATOM 5108 H1 TIP3 1043 29.673 -14.551 22.583 0.00 0.00 WAT1 ATOM 5109 H2 TIP3 1043 30.933 -15.208 23.105 0.00 0.00 WAT1 ATOM 5110 OH2 TIP3 1044 32.255 -15.949 24.456 0.00 0.00 WAT1 ATOM 5111 H1 TIP3 1044 32.158 -16.901 24.450 0.00 0.00 WAT1 ATOM 5112 H2 TIP3 1044 31.933 -15.680 25.317 0.00 0.00 WAT1 ATOM 5113 OH2 TIP3 1045 19.930 -8.987 16.529 0.00 0.00 WAT1 ATOM 5114 H1 TIP3 1045 20.114 -9.069 15.594 0.00 0.00 WAT1 ATOM 5115 H2 TIP3 1045 20.779 -9.111 16.953 0.00 0.00 WAT1 ATOM 5116 OH2 TIP3 1046 21.522 -4.234 23.173 0.00 0.00 WAT1 ATOM 5117 H1 TIP3 1046 20.701 -4.059 22.713 0.00 0.00 WAT1 ATOM 5118 H2 TIP3 1046 21.270 -4.307 24.094 0.00 0.00 WAT1 ATOM 5119 OH2 TIP3 1047 29.480 -16.536 15.038 0.00 0.00 WAT1 ATOM 5120 H1 TIP3 1047 28.805 -17.165 15.293 0.00 0.00 WAT1 ATOM 5121 H2 TIP3 1047 30.044 -17.020 14.435 0.00 0.00 WAT1 ATOM 5122 OH2 TIP3 1048 21.806 -17.902 12.860 0.00 0.00 WAT1 ATOM 5123 H1 TIP3 1048 21.029 -18.136 12.352 0.00 0.00 WAT1 ATOM 5124 H2 TIP3 1048 22.337 -18.699 12.868 0.00 0.00 WAT1 ATOM 5125 OH2 TIP3 1049 26.386 -17.975 12.673 0.00 0.00 WAT1 ATOM 5126 H1 TIP3 1049 27.260 -17.587 12.643 0.00 0.00 WAT1 ATOM 5127 H2 TIP3 1049 26.250 -18.190 13.596 0.00 0.00 WAT1 ATOM 5128 OH2 TIP3 1050 22.504 -16.188 7.106 0.00 0.00 WAT1 ATOM 5129 H1 TIP3 1050 22.995 -16.818 6.578 0.00 0.00 WAT1 ATOM 5130 H2 TIP3 1050 23.127 -15.892 7.769 0.00 0.00 WAT1 ATOM 5131 OH2 TIP3 1051 32.159 -18.705 24.095 0.00 0.00 WAT1 ATOM 5132 H1 TIP3 1051 32.235 -19.131 24.949 0.00 0.00 WAT1 ATOM 5133 H2 TIP3 1051 33.052 -18.691 23.753 0.00 0.00 WAT1 ATOM 5134 OH2 TIP3 1052 30.885 -8.746 31.674 0.00 0.00 WAT1 ATOM 5135 H1 TIP3 1052 30.974 -7.802 31.542 0.00 0.00 WAT1 ATOM 5136 H2 TIP3 1052 30.246 -9.021 31.016 0.00 0.00 WAT1 ATOM 5137 OH2 TIP3 1053 22.186 -9.876 36.686 0.00 0.00 WAT1 ATOM 5138 H1 TIP3 1053 22.228 -10.502 37.410 0.00 0.00 WAT1 ATOM 5139 H2 TIP3 1053 22.889 -9.253 36.868 0.00 0.00 WAT1 ATOM 5140 OH2 TIP3 1054 20.430 -9.604 32.740 0.00 0.00 WAT1 ATOM 5141 H1 TIP3 1054 20.644 -10.374 33.267 0.00 0.00 WAT1 ATOM 5142 H2 TIP3 1054 21.168 -9.515 32.137 0.00 0.00 WAT1 ATOM 5143 OH2 TIP3 1055 32.225 -14.432 31.500 0.00 0.00 WAT1 ATOM 5144 H1 TIP3 1055 32.871 -14.761 32.125 0.00 0.00 WAT1 ATOM 5145 H2 TIP3 1055 32.735 -13.914 30.877 0.00 0.00 WAT1 ATOM 5146 OH2 TIP3 1056 26.279 -10.616 33.077 0.00 0.00 WAT1 ATOM 5147 H1 TIP3 1056 26.895 -11.142 33.586 0.00 0.00 WAT1 ATOM 5148 H2 TIP3 1056 25.693 -11.256 32.673 0.00 0.00 WAT1 ATOM 5149 OH2 TIP3 1057 30.682 -6.145 30.717 0.00 0.00 WAT1 ATOM 5150 H1 TIP3 1057 30.386 -6.467 29.866 0.00 0.00 WAT1 ATOM 5151 H2 TIP3 1057 30.358 -5.245 30.759 0.00 0.00 WAT1 ATOM 5152 OH2 TIP3 1058 25.882 -7.969 37.461 0.00 0.00 WAT1 ATOM 5153 H1 TIP3 1058 25.142 -7.371 37.564 0.00 0.00 WAT1 ATOM 5154 H2 TIP3 1058 26.596 -7.415 37.145 0.00 0.00 WAT1 ATOM 5155 OH2 TIP3 1059 20.411 -6.334 29.030 0.00 0.00 WAT1 ATOM 5156 H1 TIP3 1059 20.139 -6.105 28.141 0.00 0.00 WAT1 ATOM 5157 H2 TIP3 1059 20.456 -5.496 29.490 0.00 0.00 WAT1 ATOM 5158 OH2 TIP3 1060 27.339 -18.339 34.626 0.00 0.00 WAT1 ATOM 5159 H1 TIP3 1060 27.222 -19.288 34.572 0.00 0.00 WAT1 ATOM 5160 H2 TIP3 1060 26.484 -18.007 34.899 0.00 0.00 WAT1 ATOM 5161 OH2 TIP3 1061 33.012 -9.292 30.078 0.00 0.00 WAT1 ATOM 5162 H1 TIP3 1061 32.280 -9.064 30.651 0.00 0.00 WAT1 ATOM 5163 H2 TIP3 1061 33.459 -10.006 30.533 0.00 0.00 WAT1 ATOM 5164 OH2 TIP3 1062 24.657 -8.662 31.961 0.00 0.00 WAT1 ATOM 5165 H1 TIP3 1062 24.327 -9.032 31.142 0.00 0.00 WAT1 ATOM 5166 H2 TIP3 1062 25.245 -9.332 32.307 0.00 0.00 WAT1 ATOM 5167 OH2 TIP3 1063 25.024 -9.893 35.594 0.00 0.00 WAT1 ATOM 5168 H1 TIP3 1063 25.589 -9.772 34.831 0.00 0.00 WAT1 ATOM 5169 H2 TIP3 1063 25.343 -9.256 36.233 0.00 0.00 WAT1 ATOM 5170 OH2 TIP3 1064 33.360 -9.097 25.393 0.00 0.00 WAT1 ATOM 5171 H1 TIP3 1064 33.402 -9.320 24.463 0.00 0.00 WAT1 ATOM 5172 H2 TIP3 1064 34.209 -8.699 25.583 0.00 0.00 WAT1 ATOM 5173 OH2 TIP3 1065 24.699 -12.470 36.499 0.00 0.00 WAT1 ATOM 5174 H1 TIP3 1065 24.057 -12.511 37.208 0.00 0.00 WAT1 ATOM 5175 H2 TIP3 1065 24.736 -11.544 36.261 0.00 0.00 WAT1 ATOM 5176 OH2 TIP3 1066 31.236 -12.387 33.042 0.00 0.00 WAT1 ATOM 5177 H1 TIP3 1066 31.041 -11.782 32.327 0.00 0.00 WAT1 ATOM 5178 H2 TIP3 1066 31.418 -13.221 32.607 0.00 0.00 WAT1 ATOM 5179 OH2 TIP3 1067 22.449 -12.150 38.366 0.00 0.00 WAT1 ATOM 5180 H1 TIP3 1067 22.411 -11.750 39.234 0.00 0.00 WAT1 ATOM 5181 H2 TIP3 1067 21.958 -12.967 38.456 0.00 0.00 WAT1 ATOM 5182 OH2 TIP3 1068 27.278 -14.822 32.497 0.00 0.00 WAT1 ATOM 5183 H1 TIP3 1068 26.367 -14.765 32.786 0.00 0.00 WAT1 ATOM 5184 H2 TIP3 1068 27.783 -14.882 33.308 0.00 0.00 WAT1 ATOM 5185 OH2 TIP3 1069 28.598 -12.034 34.384 0.00 0.00 WAT1 ATOM 5186 H1 TIP3 1069 29.162 -12.581 33.837 0.00 0.00 WAT1 ATOM 5187 H2 TIP3 1069 28.450 -12.556 35.173 0.00 0.00 WAT1 ATOM 5188 OH2 TIP3 1070 27.224 -13.646 36.798 0.00 0.00 WAT1 ATOM 5189 H1 TIP3 1070 26.389 -13.192 36.908 0.00 0.00 WAT1 ATOM 5190 H2 TIP3 1070 27.748 -13.370 37.550 0.00 0.00 WAT1 ATOM 5191 OH2 TIP3 1071 27.768 -7.433 28.483 0.00 0.00 WAT1 ATOM 5192 H1 TIP3 1071 27.024 -7.940 28.160 0.00 0.00 WAT1 ATOM 5193 H2 TIP3 1071 27.634 -7.384 29.429 0.00 0.00 WAT1 ATOM 5194 OH2 TIP3 1072 31.666 -14.619 26.682 0.00 0.00 WAT1 ATOM 5195 H1 TIP3 1072 30.728 -14.507 26.531 0.00 0.00 WAT1 ATOM 5196 H2 TIP3 1072 31.963 -13.762 26.988 0.00 0.00 WAT1 ATOM 5197 OH2 TIP3 1073 32.384 -12.752 28.343 0.00 0.00 WAT1 ATOM 5198 H1 TIP3 1073 33.276 -12.889 28.662 0.00 0.00 WAT1 ATOM 5199 H2 TIP3 1073 32.441 -11.961 27.806 0.00 0.00 WAT1 ATOM 5200 OH2 TIP3 1074 22.893 -8.138 34.252 0.00 0.00 WAT1 ATOM 5201 H1 TIP3 1074 23.638 -8.140 33.651 0.00 0.00 WAT1 ATOM 5202 H2 TIP3 1074 22.971 -8.962 34.734 0.00 0.00 WAT1 ATOM 5203 OH2 TIP3 1075 29.894 -5.974 27.508 0.00 0.00 WAT1 ATOM 5204 H1 TIP3 1075 29.599 -5.148 27.890 0.00 0.00 WAT1 ATOM 5205 H2 TIP3 1075 29.191 -6.594 27.704 0.00 0.00 WAT1 ATOM 5206 OH2 TIP3 1076 25.268 -4.620 31.657 0.00 0.00 WAT1 ATOM 5207 H1 TIP3 1076 25.795 -3.847 31.456 0.00 0.00 WAT1 ATOM 5208 H2 TIP3 1076 24.388 -4.395 31.355 0.00 0.00 WAT1 ATOM 5209 OH2 TIP3 1077 26.695 -6.957 31.233 0.00 0.00 WAT1 ATOM 5210 H1 TIP3 1077 26.454 -6.032 31.275 0.00 0.00 WAT1 ATOM 5211 H2 TIP3 1077 25.955 -7.416 31.629 0.00 0.00 WAT1 ATOM 5212 OH2 TIP3 1078 32.957 -5.780 26.323 0.00 0.00 WAT1 ATOM 5213 H1 TIP3 1078 33.310 -6.160 27.127 0.00 0.00 WAT1 ATOM 5214 H2 TIP3 1078 32.008 -5.873 26.409 0.00 0.00 WAT1 ATOM 5215 OH2 TIP3 1079 21.535 -14.924 39.125 0.00 0.00 WAT1 ATOM 5216 H1 TIP3 1079 20.642 -14.585 39.058 0.00 0.00 WAT1 ATOM 5217 H2 TIP3 1079 21.436 -15.779 39.543 0.00 0.00 WAT1 ATOM 5218 OH2 TIP3 1080 33.823 -7.107 28.549 0.00 0.00 WAT1 ATOM 5219 H1 TIP3 1080 33.546 -7.835 29.105 0.00 0.00 WAT1 ATOM 5220 H2 TIP3 1080 34.750 -6.988 28.755 0.00 0.00 WAT1 ATOM 5221 OH2 TIP3 1081 27.048 -4.668 24.770 0.00 0.00 WAT1 ATOM 5222 H1 TIP3 1081 27.287 -5.416 24.222 0.00 0.00 WAT1 ATOM 5223 H2 TIP3 1081 26.779 -5.056 25.602 0.00 0.00 WAT1 ATOM 5224 OH2 TIP3 1082 25.985 -5.098 27.226 0.00 0.00 WAT1 ATOM 5225 H1 TIP3 1082 26.132 -5.618 28.016 0.00 0.00 WAT1 ATOM 5226 H2 TIP3 1082 25.982 -4.191 27.532 0.00 0.00 WAT1 ATOM 5227 OH2 TIP3 1083 31.054 -15.531 29.112 0.00 0.00 WAT1 ATOM 5228 H1 TIP3 1083 31.274 -15.059 28.309 0.00 0.00 WAT1 ATOM 5229 H2 TIP3 1083 31.612 -15.136 29.783 0.00 0.00 WAT1 ATOM 5230 OH2 TIP3 1084 29.138 -16.722 30.885 0.00 0.00 WAT1 ATOM 5231 H1 TIP3 1084 28.791 -16.104 31.530 0.00 0.00 WAT1 ATOM 5232 H2 TIP3 1084 29.796 -16.221 30.404 0.00 0.00 WAT1 ATOM 5233 OH2 TIP3 1085 23.054 -5.231 26.633 0.00 0.00 WAT1 ATOM 5234 H1 TIP3 1085 23.646 -4.532 26.909 0.00 0.00 WAT1 ATOM 5235 H2 TIP3 1085 23.513 -5.664 25.914 0.00 0.00 WAT1 ATOM 5236 OH2 TIP3 1086 21.108 -3.845 30.583 0.00 0.00 WAT1 ATOM 5237 H1 TIP3 1086 20.276 -3.372 30.610 0.00 0.00 WAT1 ATOM 5238 H2 TIP3 1086 21.654 -3.335 29.984 0.00 0.00 WAT1 ATOM 5239 OH2 TIP3 1087 24.645 -7.078 24.999 0.00 0.00 WAT1 ATOM 5240 H1 TIP3 1087 24.709 -7.872 25.530 0.00 0.00 WAT1 ATOM 5241 H2 TIP3 1087 25.298 -7.197 24.310 0.00 0.00 WAT1 ATOM 5242 OH2 TIP3 1088 29.997 -6.031 24.735 0.00 0.00 WAT1 ATOM 5243 H1 TIP3 1088 29.729 -5.851 25.636 0.00 0.00 WAT1 ATOM 5244 H2 TIP3 1088 29.791 -6.957 24.604 0.00 0.00 WAT1 ATOM 5245 OH2 TIP3 1089 25.083 -11.213 39.661 0.00 0.00 WAT1 ATOM 5246 H1 TIP3 1089 24.465 -10.538 39.942 0.00 0.00 WAT1 ATOM 5247 H2 TIP3 1089 25.427 -10.892 38.828 0.00 0.00 WAT1 ATOM 5248 OH2 TIP3 1090 25.423 -13.858 40.744 0.00 0.00 WAT1 ATOM 5249 H1 TIP3 1090 25.573 -14.587 40.141 0.00 0.00 WAT1 ATOM 5250 H2 TIP3 1090 25.425 -13.081 40.185 0.00 0.00 WAT1 ATOM 5251 OH2 TIP3 1091 25.835 -15.488 38.236 0.00 0.00 WAT1 ATOM 5252 H1 TIP3 1091 26.371 -15.037 37.584 0.00 0.00 WAT1 ATOM 5253 H2 TIP3 1091 24.983 -15.596 37.814 0.00 0.00 WAT1 ATOM 5254 OH2 TIP3 1092 26.641 -18.032 38.668 0.00 0.00 WAT1 ATOM 5255 H1 TIP3 1092 26.543 -17.085 38.562 0.00 0.00 WAT1 ATOM 5256 H2 TIP3 1092 25.898 -18.404 38.192 0.00 0.00 WAT1 ATOM 5257 OH2 TIP3 1093 22.082 -14.739 42.360 0.00 0.00 WAT1 ATOM 5258 H1 TIP3 1093 22.293 -15.446 41.749 0.00 0.00 WAT1 ATOM 5259 H2 TIP3 1093 21.970 -15.177 43.204 0.00 0.00 WAT1 ATOM 5260 OH2 TIP3 1094 20.331 -5.536 26.052 0.00 0.00 WAT1 ATOM 5261 H1 TIP3 1094 21.245 -5.457 26.325 0.00 0.00 WAT1 ATOM 5262 H2 TIP3 1094 20.338 -6.223 25.385 0.00 0.00 WAT1 ATOM 5263 OH2 TIP3 1095 35.725 -12.445 25.754 0.00 0.00 WAT1 ATOM 5264 H1 TIP3 1095 35.822 -11.778 25.074 0.00 0.00 WAT1 ATOM 5265 H2 TIP3 1095 35.585 -13.261 25.272 0.00 0.00 WAT1 ATOM 5266 OH2 TIP3 1096 34.895 -11.065 31.375 0.00 0.00 WAT1 ATOM 5267 H1 TIP3 1096 34.745 -12.010 31.355 0.00 0.00 WAT1 ATOM 5268 H2 TIP3 1096 34.541 -10.784 32.219 0.00 0.00 WAT1 ATOM 5269 OH2 TIP3 1097 19.930 -8.987 35.385 0.00 0.00 WAT1 ATOM 5270 H1 TIP3 1097 20.114 -9.069 34.450 0.00 0.00 WAT1 ATOM 5271 H2 TIP3 1097 20.779 -9.111 35.809 0.00 0.00 WAT1 ATOM 5272 OH2 TIP3 1098 34.973 -15.037 24.871 0.00 0.00 WAT1 ATOM 5273 H1 TIP3 1098 35.583 -15.409 25.508 0.00 0.00 WAT1 ATOM 5274 H2 TIP3 1098 34.136 -15.459 25.067 0.00 0.00 WAT1 ATOM 5275 OH2 TIP3 1099 34.605 -13.482 29.837 0.00 0.00 WAT1 ATOM 5276 H1 TIP3 1099 34.885 -14.389 29.962 0.00 0.00 WAT1 ATOM 5277 H2 TIP3 1099 35.364 -13.048 29.448 0.00 0.00 WAT1 ATOM 5278 OH2 TIP3 1100 19.528 -13.716 41.526 0.00 0.00 WAT1 ATOM 5279 H1 TIP3 1100 20.447 -13.838 41.762 0.00 0.00 WAT1 ATOM 5280 H2 TIP3 1100 19.078 -14.466 41.915 0.00 0.00 WAT1 ATOM 5281 OH2 TIP3 1101 19.053 -12.405 35.486 0.00 0.00 WAT1 ATOM 5282 H1 TIP3 1101 19.545 -12.626 34.696 0.00 0.00 WAT1 ATOM 5283 H2 TIP3 1101 19.415 -11.564 35.767 0.00 0.00 WAT1 ATOM 5284 OH2 TIP3 1102 19.330 -17.409 37.885 0.00 0.00 WAT1 ATOM 5285 H1 TIP3 1102 18.665 -17.655 38.528 0.00 0.00 WAT1 ATOM 5286 H2 TIP3 1102 18.887 -16.787 37.308 0.00 0.00 WAT1 ATOM 5287 OH2 TIP3 1103 29.480 -16.536 33.894 0.00 0.00 WAT1 ATOM 5288 H1 TIP3 1103 28.805 -17.165 34.149 0.00 0.00 WAT1 ATOM 5289 H2 TIP3 1103 30.044 -17.020 33.291 0.00 0.00 WAT1 ATOM 5290 OH2 TIP3 1104 26.386 -17.975 31.529 0.00 0.00 WAT1 ATOM 5291 H1 TIP3 1104 27.260 -17.587 31.499 0.00 0.00 WAT1 ATOM 5292 H2 TIP3 1104 26.250 -18.190 32.452 0.00 0.00 WAT1 ATOM 5293 OH2 TIP3 1105 33.296 -17.919 28.871 0.00 0.00 WAT1 ATOM 5294 H1 TIP3 1105 32.593 -17.305 28.661 0.00 0.00 WAT1 ATOM 5295 H2 TIP3 1105 32.851 -18.757 29.002 0.00 0.00 WAT1 ATOM 5296 OH2 TIP3 1106 21.764 -17.388 41.233 0.00 0.00 WAT1 ATOM 5297 H1 TIP3 1106 21.398 -18.153 41.676 0.00 0.00 WAT1 ATOM 5298 H2 TIP3 1106 22.677 -17.359 41.520 0.00 0.00 WAT1 END