REMARK FILENAME="/farm/data/gliu/projects/HR4394/cns/calc26c/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:10-Jun-2009 12:08:57 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 20.875 -22.063 8.230 1.00 74.20 ATOM 2 CB MET 1 22.314 -21.534 9.719 1.00 71.42 ATOM 3 HB1 MET 1 22.925 -20.678 9.972 1.00 37.59 ATOM 4 HB2 MET 1 22.963 -22.358 9.452 1.00 55.41 ATOM 5 CG MET 1 21.498 -21.919 10.943 1.00 44.03 ATOM 6 HG1 MET 1 20.636 -22.495 10.631 1.00 37.59 ATOM 7 HG2 MET 1 21.163 -21.013 11.426 1.00 3.45 ATOM 8 SD MET 1 22.440 -22.904 12.123 1.00 20.50 ATOM 9 CE MET 1 21.805 -22.272 13.674 1.00 24.51 ATOM 10 HE1 MET 1 22.004 -21.213 13.740 1.00 33.01 ATOM 11 HE2 MET 1 22.288 -22.781 14.495 1.00 45.10 ATOM 12 HE3 MET 1 20.740 -22.442 13.723 1.00 21.21 ATOM 13 C MET 1 20.520 -20.036 8.827 1.00 73.31 ATOM 14 O MET 1 20.961 -18.960 9.226 1.00 41.51 ATOM 15 N MET 1 22.310 -20.862 7.360 1.00 41.31 ATOM 16 HT1 MET 1 21.727 -20.653 6.522 1.00 37.59 ATOM 17 HT2 MET 1 22.934 -21.665 7.130 1.00 37.59 ATOM 18 HT3 MET 1 22.903 -20.028 7.569 1.00 37.59 ATOM 19 CA MET 1 21.459 -21.192 8.497 1.00 20.01 ATOM 20 N GLY 2 19.221 -20.268 8.657 1.00 3.51 ATOM 21 HN GLY 2 18.913 -21.145 8.336 1.00 37.59 ATOM 22 CA GLY 2 18.241 -19.236 8.941 1.00 32.00 ATOM 23 HA1 GLY 2 18.676 -18.462 9.561 1.00 37.59 ATOM 24 HA2 GLY 2 17.425 -19.676 9.485 1.00 24.53 ATOM 25 C GLY 2 17.695 -18.592 7.682 1.00 64.22 ATOM 26 O GLY 2 17.666 -17.367 7.565 1.00 15.42 ATOM 27 N HIS 3 17.264 -19.420 6.735 1.00 11.41 ATOM 28 HN HIS 3 17.301 -20.394 6.884 1.00 37.59 ATOM 29 CA HIS 3 16.718 -18.923 5.477 1.00 72.41 ATOM 30 HA HIS 3 16.949 -17.865 5.381 1.00 44.45 ATOM 31 CB HIS 3 17.348 -19.662 4.296 1.00 22.42 ATOM 32 HB1 HIS 3 16.729 -19.538 3.414 1.00 37.59 ATOM 33 HB2 HIS 3 17.417 -20.714 4.530 1.00 72.01 ATOM 34 CG HIS 3 18.724 -19.180 3.953 1.00 52.42 ATOM 35 ND1 HIS 3 19.855 -19.589 4.627 1.00 41.12 ATOM 36 HD1 HIS 3 19.878 -20.218 5.378 1.00 33.10 ATOM 37 CD2 HIS 3 19.147 -18.318 2.999 1.00 41.13 ATOM 38 HD2 HIS 3 18.526 -17.802 2.281 1.00 12.52 ATOM 39 CE1 HIS 3 20.915 -18.998 4.103 1.00 35.52 ATOM 40 HE1 HIS 3 21.937 -19.129 4.428 1.00 31.22 ATOM 41 NE2 HIS 3 20.512 -18.222 3.113 1.00 22.21 ATOM 42 HE2 HIS 3 21.102 -17.742 2.495 1.00 37.59 ATOM 43 C HIS 3 15.201 -19.085 5.442 1.00 50.41 ATOM 44 O HIS 3 14.688 -20.161 5.134 1.00 53.22 ATOM 45 N HIS 4 14.489 -18.008 5.760 1.00 33.33 ATOM 46 HN HIS 4 14.949 -17.168 5.993 1.00 37.59 ATOM 47 CA HIS 4 13.030 -18.031 5.765 1.00 3.34 ATOM 48 HA HIS 4 12.701 -19.048 5.585 1.00 52.22 ATOM 49 CB HIS 4 12.497 -17.562 7.119 1.00 12.43 ATOM 50 HB1 HIS 4 11.684 -16.859 6.978 1.00 37.59 ATOM 51 HB2 HIS 4 13.287 -17.069 7.669 1.00 42.30 ATOM 52 CG HIS 4 11.977 -18.674 7.976 1.00 31.44 ATOM 53 ND1 HIS 4 12.254 -18.780 9.323 1.00 2.51 ATOM 54 HD1 HIS 4 12.803 -18.159 9.845 1.00 10.53 ATOM 55 CD2 HIS 4 11.191 -19.734 7.672 1.00 41.52 ATOM 56 HD2 HIS 4 10.781 -19.970 6.700 1.00 74.33 ATOM 57 CE1 HIS 4 11.663 -19.856 9.809 1.00 32.13 ATOM 58 HE1 HIS 4 11.704 -20.190 10.835 1.00 44.23 ATOM 59 NE2 HIS 4 11.011 -20.453 8.828 1.00 53.43 ATOM 60 HE2 HIS 4 10.567 -21.324 8.893 1.00 37.59 ATOM 61 C HIS 4 12.470 -17.151 4.652 1.00 74.31 ATOM 62 O HIS 4 12.884 -16.004 4.485 1.00 51.30 ATOM 63 N HIS 5 11.526 -17.697 3.892 1.00 74.23 ATOM 64 HN HIS 5 11.241 -18.626 4.061 1.00 37.59 ATOM 65 CA HIS 5 10.908 -16.962 2.794 1.00 62.14 ATOM 66 HA HIS 5 10.965 -15.901 3.013 1.00 20.53 ATOM 67 CB HIS 5 11.660 -17.226 1.489 1.00 70.33 ATOM 68 HB1 HIS 5 11.298 -16.549 0.729 1.00 37.59 ATOM 69 HB2 HIS 5 11.478 -18.241 1.175 1.00 4.12 ATOM 70 CG HIS 5 13.142 -17.043 1.604 1.00 50.14 ATOM 71 ND1 HIS 5 13.736 -15.812 1.788 1.00 30.30 ATOM 72 HD1 HIS 5 13.267 -14.955 1.860 1.00 33.44 ATOM 73 CD2 HIS 5 14.151 -17.944 1.561 1.00 4.31 ATOM 74 HD2 HIS 5 14.051 -19.012 1.428 1.00 21.11 ATOM 75 CE1 HIS 5 15.047 -15.964 1.852 1.00 12.31 ATOM 76 HE1 HIS 5 15.769 -15.173 1.992 1.00 14.04 ATOM 77 NE2 HIS 5 15.325 -17.248 1.718 1.00 51.14 ATOM 78 HE2 HIS 5 16.214 -17.647 1.823 1.00 37.59 ATOM 79 C HIS 5 9.441 -17.350 2.637 1.00 61.52 ATOM 80 O HIS 5 9.116 -18.521 2.433 1.00 44.34 ATOM 81 N HIS 6 8.558 -16.361 2.735 1.00 63.54 ATOM 82 HN HIS 6 8.870 -15.439 2.889 1.00 37.59 ATOM 83 CA HIS 6 7.125 -16.600 2.604 1.00 63.02 ATOM 84 HA HIS 6 6.943 -17.671 2.616 1.00 65.43 ATOM 85 CB HIS 6 6.373 -15.972 3.777 1.00 0.52 ATOM 86 HB1 HIS 6 6.363 -14.895 3.673 1.00 37.59 ATOM 87 HB2 HIS 6 6.886 -16.227 4.695 1.00 51.04 ATOM 88 CG HIS 6 4.956 -16.440 3.900 1.00 32.10 ATOM 89 ND1 HIS 6 4.024 -16.292 2.894 1.00 3.02 ATOM 90 HD1 HIS 6 4.166 -15.852 2.035 1.00 44.42 ATOM 91 CD2 HIS 6 4.313 -17.059 4.918 1.00 11.40 ATOM 92 HD2 HIS 6 4.740 -17.336 5.872 1.00 12.05 ATOM 93 CE1 HIS 6 2.869 -16.797 3.289 1.00 63.42 ATOM 94 HE1 HIS 6 1.957 -16.805 2.721 1.00 34.54 ATOM 95 NE2 HIS 6 3.018 -17.270 4.513 1.00 13.54 ATOM 96 HE2 HIS 6 2.343 -17.781 5.007 1.00 37.59 ATOM 97 C HIS 6 6.599 -16.038 1.287 1.00 51.32 ATOM 98 O HIS 6 6.141 -14.896 1.226 1.00 32.13 ATOM 99 N HIS 7 6.668 -16.846 0.234 1.00 60.01 ATOM 100 HN HIS 7 7.053 -17.748 0.335 1.00 37.59 ATOM 101 CA HIS 7 6.198 -16.429 -1.083 1.00 5.35 ATOM 102 HA HIS 7 5.653 -15.494 -0.985 1.00 44.44 ATOM 103 CB HIS 7 7.383 -16.216 -2.026 1.00 13.31 ATOM 104 HB1 HIS 7 7.059 -16.330 -3.054 1.00 37.59 ATOM 105 HB2 HIS 7 8.144 -16.955 -1.817 1.00 74.03 ATOM 106 CG HIS 7 8.007 -14.860 -1.906 1.00 43.34 ATOM 107 ND1 HIS 7 7.290 -13.688 -2.022 1.00 13.25 ATOM 108 HD1 HIS 7 6.327 -13.621 -2.190 1.00 1.43 ATOM 109 CD2 HIS 7 9.290 -14.493 -1.679 1.00 2.21 ATOM 110 HD2 HIS 7 10.131 -15.157 -1.537 1.00 70.22 ATOM 111 CE1 HIS 7 8.104 -12.659 -1.872 1.00 5.22 ATOM 112 HE1 HIS 7 7.820 -11.618 -1.913 1.00 21.50 ATOM 113 NE2 HIS 7 9.324 -13.120 -1.662 1.00 62.12 ATOM 114 HE2 HIS 7 10.135 -12.571 -1.614 1.00 37.59 ATOM 115 C HIS 7 5.243 -17.462 -1.671 1.00 62.45 ATOM 116 O HIS 7 5.407 -18.665 -1.462 1.00 1.32 ATOM 117 N HIS 8 4.245 -16.986 -2.409 1.00 32.24 ATOM 118 HN HIS 8 4.172 -16.013 -2.557 1.00 37.59 ATOM 119 CA HIS 8 3.263 -17.869 -3.028 1.00 31.42 ATOM 120 HA HIS 8 3.193 -18.778 -2.436 1.00 71.10 ATOM 121 CB HIS 8 1.887 -17.203 -3.046 1.00 73.51 ATOM 122 HB1 HIS 8 1.190 -17.831 -3.588 1.00 37.59 ATOM 123 HB2 HIS 8 1.965 -16.248 -3.546 1.00 64.23 ATOM 124 CG HIS 8 1.317 -16.968 -1.681 1.00 71.21 ATOM 125 ND1 HIS 8 1.340 -17.918 -0.682 1.00 72.30 ATOM 126 HD1 HIS 8 1.719 -18.819 -0.757 1.00 45.05 ATOM 127 CD2 HIS 8 0.708 -15.882 -1.151 1.00 53.22 ATOM 128 HD2 HIS 8 0.518 -14.944 -1.654 1.00 11.11 ATOM 129 CE1 HIS 8 0.768 -17.427 0.403 1.00 72.22 ATOM 130 HE1 HIS 8 0.643 -17.947 1.341 1.00 0.23 ATOM 131 NE2 HIS 8 0.376 -16.193 0.145 1.00 51.55 ATOM 132 HE2 HIS 8 0.008 -15.568 0.804 1.00 37.59 ATOM 133 C HIS 8 3.682 -18.237 -4.448 1.00 21.10 ATOM 134 O HIS 8 4.084 -17.375 -5.230 1.00 31.33 ATOM 135 N SER 9 3.586 -19.522 -4.774 1.00 63.12 ATOM 136 HN SER 9 3.265 -20.173 -4.107 1.00 37.59 ATOM 137 CA SER 9 3.960 -20.004 -6.099 1.00 30.44 ATOM 138 HA SER 9 4.064 -19.156 -6.767 1.00 3.23 ATOM 139 CB SER 9 5.305 -20.731 -6.039 1.00 42.43 ATOM 140 HB1 SER 9 5.533 -21.160 -7.007 1.00 37.59 ATOM 141 HB2 SER 9 5.255 -21.517 -5.301 1.00 2.13 ATOM 142 OG SER 9 6.350 -19.841 -5.685 1.00 51.04 ATOM 143 HG SER 9 7.167 -20.333 -5.578 1.00 71.11 ATOM 144 C SER 9 2.890 -20.937 -6.659 1.00 42.30 ATOM 145 O SER 9 2.574 -21.967 -6.063 1.00 61.02 ATOM 146 N HIS 10 2.336 -20.567 -7.809 1.00 73.13 ATOM 147 HN HIS 10 2.635 -19.738 -8.252 1.00 37.59 ATOM 148 CA HIS 10 1.301 -21.370 -8.452 1.00 2.21 ATOM 149 HA HIS 10 0.897 -22.076 -7.733 1.00 41.21 ATOM 150 CB HIS 10 0.163 -20.475 -8.944 1.00 4.43 ATOM 151 HB1 HIS 10 -0.508 -21.051 -9.570 1.00 37.59 ATOM 152 HB2 HIS 10 0.578 -19.664 -9.523 1.00 74.23 ATOM 153 CG HIS 10 -0.650 -19.877 -7.837 1.00 4.10 ATOM 154 ND1 HIS 10 -2.017 -20.030 -7.740 1.00 25.11 ATOM 155 HD1 HIS 10 -2.583 -20.529 -8.365 1.00 73.53 ATOM 156 CD2 HIS 10 -0.281 -19.123 -6.775 1.00 24.21 ATOM 157 HD2 HIS 10 0.723 -18.806 -6.532 1.00 74.25 ATOM 158 CE1 HIS 10 -2.453 -19.395 -6.667 1.00 54.11 ATOM 159 HE1 HIS 10 -3.480 -19.343 -6.338 1.00 75.45 ATOM 160 NE2 HIS 10 -1.420 -18.837 -6.064 1.00 3.44 ATOM 161 HE2 HIS 10 -1.450 -18.384 -5.196 1.00 37.59 ATOM 162 C HIS 10 1.878 -22.167 -9.618 1.00 50.53 ATOM 163 O HIS 10 1.594 -21.878 -10.780 1.00 54.23 ATOM 164 N MET 11 2.690 -23.169 -9.300 1.00 31.34 ATOM 165 HN MET 11 2.887 -23.359 -8.354 1.00 37.59 ATOM 166 CA MET 11 3.306 -24.007 -10.322 1.00 20.54 ATOM 167 HA MET 11 2.969 -23.667 -11.294 1.00 61.33 ATOM 168 CB MET 11 4.830 -23.894 -10.254 1.00 42.32 ATOM 169 HB1 MET 11 5.283 -24.820 -10.580 1.00 37.59 ATOM 170 HB2 MET 11 5.115 -23.720 -9.224 1.00 43.02 ATOM 171 CG MET 11 5.394 -22.770 -11.108 1.00 41.40 ATOM 172 HG1 MET 11 4.824 -21.868 -10.927 1.00 37.59 ATOM 173 HG2 MET 11 5.305 -23.047 -12.148 1.00 44.22 ATOM 174 SD MET 11 7.128 -22.429 -10.751 1.00 23.10 ATOM 175 CE MET 11 7.864 -24.026 -11.091 1.00 31.52 ATOM 176 HE1 MET 11 8.934 -23.968 -10.958 1.00 72.42 ATOM 177 HE2 MET 11 7.638 -24.322 -12.105 1.00 22.25 ATOM 178 HE3 MET 11 7.454 -24.743 -10.405 1.00 75.51 ATOM 179 C MET 11 2.885 -25.464 -10.156 1.00 64.31 ATOM 180 O MET 11 2.430 -25.887 -9.093 1.00 53.13 ATOM 181 N PRO 12 3.040 -26.252 -11.231 1.00 4.23 ATOM 182 CA PRO 12 2.683 -27.673 -11.229 1.00 34.44 ATOM 183 HA PRO 12 1.664 -27.825 -10.903 1.00 13.43 ATOM 184 CB PRO 12 2.817 -28.075 -12.700 1.00 32.14 ATOM 185 HB1 PRO 12 1.856 -27.974 -13.181 1.00 37.59 ATOM 186 HB2 PRO 12 3.156 -29.097 -12.799 1.00 43.02 ATOM 187 CG PRO 12 3.795 -27.107 -13.269 1.00 4.11 ATOM 188 HG1 PRO 12 3.609 -26.971 -14.324 1.00 37.59 ATOM 189 HG2 PRO 12 4.800 -27.457 -13.106 1.00 2.22 ATOM 190 CD PRO 12 3.578 -25.815 -12.530 1.00 75.35 ATOM 191 HD1 PRO 12 2.864 -25.197 -13.055 1.00 37.59 ATOM 192 HD2 PRO 12 4.513 -25.300 -12.426 1.00 33.15 ATOM 193 C PRO 12 3.621 -28.506 -10.361 1.00 74.04 ATOM 194 O PRO 12 4.532 -29.161 -10.868 1.00 1.34 ATOM 195 N ASP 13 3.391 -28.477 -9.053 1.00 40.13 ATOM 196 HN ASP 13 2.637 -27.945 -8.703 1.00 37.59 ATOM 197 CA ASP 13 4.215 -29.231 -8.115 1.00 41.44 ATOM 198 HA ASP 13 5.146 -29.494 -8.595 1.00 35.15 ATOM 199 CB ASP 13 4.526 -28.383 -6.881 1.00 42.52 ATOM 200 HB1 ASP 13 4.874 -27.411 -7.198 1.00 37.59 ATOM 201 HB2 ASP 13 5.302 -28.867 -6.307 1.00 61.41 ATOM 202 CG ASP 13 3.315 -28.192 -5.989 1.00 41.25 ATOM 203 OD1 ASP 13 3.442 -28.398 -4.764 1.00 75.41 ATOM 204 OD2 ASP 13 2.241 -27.835 -6.517 1.00 31.13 ATOM 205 C ASP 13 3.520 -30.523 -7.698 1.00 52.30 ATOM 206 O ASP 13 3.734 -31.027 -6.595 1.00 52.20 ATOM 207 N HIS 14 2.686 -31.054 -8.586 1.00 54.44 ATOM 208 HN HIS 14 2.561 -30.644 -9.462 1.00 37.59 ATOM 209 CA HIS 14 1.958 -32.287 -8.310 1.00 20.20 ATOM 210 HA HIS 14 2.138 -32.588 -7.289 1.00 0.40 ATOM 211 CB HIS 14 0.456 -32.072 -8.499 1.00 42.31 ATOM 212 HB1 HIS 14 -0.012 -32.960 -8.902 1.00 37.59 ATOM 213 HB2 HIS 14 0.296 -31.257 -9.191 1.00 55.54 ATOM 214 CG HIS 14 -0.264 -31.729 -7.231 1.00 71.34 ATOM 215 ND1 HIS 14 -1.033 -32.637 -6.534 1.00 23.02 ATOM 216 HD1 HIS 14 -1.185 -33.572 -6.787 1.00 73.14 ATOM 217 CD2 HIS 14 -0.328 -30.571 -6.535 1.00 10.53 ATOM 218 HD2 HIS 14 0.159 -29.641 -6.792 1.00 45.32 ATOM 219 CE1 HIS 14 -1.540 -32.051 -5.464 1.00 2.01 ATOM 220 HE1 HIS 14 -2.182 -32.518 -4.732 1.00 21.40 ATOM 221 NE2 HIS 14 -1.127 -30.797 -5.441 1.00 1.51 ATOM 222 HE2 HIS 14 -1.279 -30.166 -4.707 1.00 37.59 ATOM 223 C HIS 14 2.440 -33.417 -9.215 1.00 51.34 ATOM 224 O HIS 14 3.328 -33.225 -10.045 1.00 2.23 ATOM 225 N GLY 15 1.848 -34.596 -9.050 1.00 14.45 ATOM 226 HN GLY 15 1.153 -34.710 -8.364 1.00 37.59 ATOM 227 CA GLY 15 2.230 -35.738 -9.858 1.00 24.41 ATOM 228 HA1 GLY 15 2.056 -36.636 -9.283 1.00 37.59 ATOM 229 HA2 GLY 15 3.285 -35.687 -10.101 1.00 24.51 ATOM 230 C GLY 15 1.434 -35.831 -11.144 1.00 62.24 ATOM 231 O GLY 15 0.910 -36.893 -11.483 1.00 2.41 ATOM 232 N ASP 16 1.341 -34.717 -11.862 1.00 64.45 ATOM 233 HN ASP 16 1.810 -33.908 -11.573 1.00 37.59 ATOM 234 CA ASP 16 0.602 -34.677 -13.119 1.00 65.10 ATOM 235 HA ASP 16 -0.210 -35.395 -13.071 1.00 22.54 ATOM 236 CB ASP 16 0.008 -33.286 -13.341 1.00 51.43 ATOM 237 HB1 ASP 16 -0.468 -33.247 -14.313 1.00 37.59 ATOM 238 HB2 ASP 16 0.800 -32.553 -13.304 1.00 74.45 ATOM 239 CG ASP 16 -1.027 -32.924 -12.294 1.00 74.45 ATOM 240 OD1 ASP 16 -1.178 -33.691 -11.320 1.00 14.43 ATOM 241 OD2 ASP 16 -1.686 -31.875 -12.450 1.00 32.15 ATOM 242 C ASP 16 1.503 -35.052 -14.292 1.00 24.25 ATOM 243 O ASP 16 1.035 -35.221 -15.417 1.00 42.55 ATOM 244 N TRP 17 2.797 -35.180 -14.019 1.00 71.14 ATOM 245 HN TRP 17 3.122 -35.049 -13.103 1.00 37.59 ATOM 246 CA TRP 17 3.764 -35.534 -15.052 1.00 72.15 ATOM 247 HA TRP 17 3.523 -34.981 -15.952 1.00 10.03 ATOM 248 CB TRP 17 5.177 -35.150 -14.611 1.00 12.42 ATOM 249 HB1 TRP 17 5.839 -35.215 -15.462 1.00 37.59 ATOM 250 HB2 TRP 17 5.517 -35.838 -13.845 1.00 31.33 ATOM 251 CG TRP 17 5.269 -33.758 -14.062 1.00 5.11 ATOM 252 CD1 TRP 17 5.498 -33.403 -12.763 1.00 41.32 ATOM 253 HD1 TRP 17 5.643 -34.106 -11.956 1.00 44.41 ATOM 254 CD2 TRP 17 5.134 -32.536 -14.796 1.00 74.42 ATOM 255 NE1 TRP 17 5.513 -32.034 -12.646 1.00 14.31 ATOM 256 HE1 TRP 17 5.659 -31.536 -11.815 1.00 53.31 ATOM 257 CE2 TRP 17 5.292 -31.479 -13.879 1.00 23.11 ATOM 258 CE3 TRP 17 4.896 -32.233 -16.139 1.00 54.43 ATOM 259 HE3 TRP 17 4.769 -33.014 -16.874 1.00 42.44 ATOM 260 CZ2 TRP 17 5.219 -30.143 -14.264 1.00 30.04 ATOM 261 HZ2 TRP 17 5.348 -29.346 -13.558 1.00 42.33 ATOM 262 CZ3 TRP 17 4.823 -30.906 -16.519 1.00 72.14 ATOM 263 HZ3 TRP 17 4.639 -30.653 -17.553 1.00 70.00 ATOM 264 CH2 TRP 17 4.985 -29.875 -15.585 1.00 12.42 ATOM 265 HH2 TRP 17 4.919 -28.853 -15.927 1.00 72.13 ATOM 266 C TRP 17 3.704 -37.025 -15.366 1.00 50.01 ATOM 267 O TRP 17 4.061 -37.454 -16.464 1.00 20.11 ATOM 268 N THR 18 3.250 -37.812 -14.395 1.00 61.05 ATOM 269 HN THR 18 3.008 -37.428 -13.522 1.00 37.59 ATOM 270 CA THR 18 3.145 -39.255 -14.568 1.00 75.33 ATOM 271 HA THR 18 2.915 -39.468 -15.606 1.00 21.41 ATOM 272 CB THR 18 4.468 -39.961 -14.216 1.00 75.45 ATOM 273 HB THR 18 5.269 -39.487 -14.765 1.00 1.12 ATOM 274 OG1 THR 18 4.399 -41.343 -14.587 1.00 42.23 ATOM 275 HG1 THR 18 4.569 -41.433 -15.528 1.00 64.23 ATOM 276 CG2 THR 18 4.765 -39.845 -12.729 1.00 55.51 ATOM 277 HG21 THR 18 5.795 -40.118 -12.552 1.00 14.12 ATOM 278 HG22 THR 18 4.124 -40.513 -12.174 1.00 51.22 ATOM 279 HG23 THR 18 4.605 -38.828 -12.395 1.00 62.11 ATOM 280 C THR 18 2.029 -39.832 -13.705 1.00 34.21 ATOM 281 O THR 18 1.427 -39.125 -12.896 1.00 42.33 ATOM 282 N TYR 19 1.757 -41.121 -13.881 1.00 10.52 ATOM 283 HN TYR 19 2.273 -41.636 -14.548 1.00 37.59 ATOM 284 CA TYR 19 0.711 -41.792 -13.118 1.00 63.23 ATOM 285 HA TYR 19 -0.239 -41.374 -13.428 1.00 1.53 ATOM 286 CB TYR 19 0.716 -43.292 -13.418 1.00 70.20 ATOM 287 HB1 TYR 19 0.112 -43.809 -12.681 1.00 37.59 ATOM 288 HB2 TYR 19 1.731 -43.660 -13.354 1.00 30.33 ATOM 289 CG TYR 19 0.158 -43.639 -14.780 1.00 21.32 ATOM 290 CD1 TYR 19 0.957 -44.236 -15.748 1.00 33.55 ATOM 291 HD1 TYR 19 1.991 -44.454 -15.519 1.00 33.22 ATOM 292 CD2 TYR 19 -1.167 -43.369 -15.099 1.00 62.42 ATOM 293 HD2 TYR 19 -1.805 -42.904 -14.360 1.00 2.03 ATOM 294 CE1 TYR 19 0.452 -44.555 -16.993 1.00 53.14 ATOM 295 HE1 TYR 19 1.089 -45.019 -17.731 1.00 12.03 ATOM 296 CE2 TYR 19 -1.681 -43.686 -16.342 1.00 3.32 ATOM 297 HE2 TYR 19 -2.714 -43.469 -16.570 1.00 5.50 ATOM 298 CZ TYR 19 -0.868 -44.278 -17.286 1.00 24.05 ATOM 299 OH TYR 19 -1.375 -44.593 -18.525 1.00 74.30 ATOM 300 HH TYR 19 -1.491 -45.545 -18.598 1.00 63.53 ATOM 301 C TYR 19 0.894 -41.561 -11.621 1.00 43.35 ATOM 302 O TYR 19 1.844 -42.059 -11.017 1.00 54.24 ATOM 303 N GLU 20 -0.023 -40.801 -11.030 1.00 62.42 ATOM 304 HN GLU 20 -0.761 -40.429 -11.570 1.00 37.59 ATOM 305 CA GLU 20 0.037 -40.503 -9.604 1.00 62.31 ATOM 306 HA GLU 20 0.940 -39.931 -9.428 1.00 62.02 ATOM 307 CB GLU 20 -1.181 -39.679 -9.181 1.00 64.11 ATOM 308 HB1 GLU 20 -1.949 -40.329 -8.779 1.00 37.59 ATOM 309 HB2 GLU 20 -1.581 -39.177 -10.054 1.00 32.24 ATOM 310 CG GLU 20 -0.866 -38.618 -8.140 1.00 23.21 ATOM 311 HG1 GLU 20 -0.011 -38.045 -8.473 1.00 37.59 ATOM 312 HG2 GLU 20 -0.627 -39.101 -7.211 1.00 5.43 ATOM 313 CD GLU 20 -2.020 -37.660 -7.915 1.00 64.44 ATOM 314 OE1 GLU 20 -1.913 -36.805 -7.011 1.00 63.33 ATOM 315 OE2 GLU 20 -3.029 -37.766 -8.643 1.00 10.22 ATOM 316 C GLU 20 0.106 -41.787 -8.782 1.00 63.33 ATOM 317 O GLU 20 0.646 -41.800 -7.676 1.00 54.44 ATOM 318 N GLU 21 -0.444 -42.865 -9.332 1.00 74.20 ATOM 319 HN GLU 21 -0.917 -42.790 -10.190 1.00 37.59 ATOM 320 CA GLU 21 -0.446 -44.154 -8.649 1.00 53.43 ATOM 321 HA GLU 21 -1.065 -44.048 -7.773 1.00 14.44 ATOM 322 CB GLU 21 -1.006 -45.242 -9.568 1.00 3.10 ATOM 323 HB1 GLU 21 -0.198 -45.743 -10.086 1.00 37.59 ATOM 324 HB2 GLU 21 -1.654 -44.786 -10.305 1.00 13.33 ATOM 325 CG GLU 21 -1.821 -46.295 -8.837 1.00 71.43 ATOM 326 HG1 GLU 21 -1.180 -46.841 -8.168 1.00 37.59 ATOM 327 HG2 GLU 21 -2.233 -46.976 -9.567 1.00 61.12 ATOM 328 CD GLU 21 -2.967 -45.699 -8.043 1.00 23.23 ATOM 329 OE1 GLU 21 -3.290 -46.244 -6.967 1.00 11.02 ATOM 330 OE2 GLU 21 -3.540 -44.687 -8.498 1.00 3.14 ATOM 331 C GLU 21 0.961 -44.530 -8.194 1.00 73.54 ATOM 332 O GLU 21 1.941 -43.902 -8.593 1.00 22.52 ATOM 333 N GLN 22 1.050 -45.559 -7.358 1.00 20.25 ATOM 334 HN GLN 22 0.230 -45.998 -7.045 1.00 37.59 ATOM 335 CA GLN 22 2.336 -46.019 -6.847 1.00 43.24 ATOM 336 HA GLN 22 2.719 -45.237 -6.201 1.00 72.21 ATOM 337 CB GLN 22 2.157 -47.301 -6.032 1.00 51.50 ATOM 338 HB1 GLN 22 2.211 -48.164 -6.683 1.00 37.59 ATOM 339 HB2 GLN 22 1.183 -47.285 -5.562 1.00 25.03 ATOM 340 CG GLN 22 3.191 -47.471 -4.931 1.00 65.34 ATOM 341 HG1 GLN 22 3.027 -48.425 -4.450 1.00 37.59 ATOM 342 HG2 GLN 22 3.055 -46.680 -4.208 1.00 45.14 ATOM 343 CD GLN 22 4.613 -47.433 -5.456 1.00 23.31 ATOM 344 OE1 GLN 22 4.953 -48.130 -6.413 1.00 21.03 ATOM 345 NE2 GLN 22 5.454 -46.617 -4.831 1.00 14.11 ATOM 346 HE21 GLN 22 5.130 -46.090 -4.075 1.00 40.12 ATOM 347 HE22 GLN 22 6.374 -46.580 -5.159 1.00 73.14 ATOM 348 C GLN 22 3.319 -46.261 -7.988 1.00 62.11 ATOM 349 O GLN 22 3.038 -47.024 -8.912 1.00 72.33 ATOM 350 N PHE 23 4.473 -45.606 -7.917 1.00 64.31 ATOM 351 HN PHE 23 4.660 -45.053 -7.129 1.00 37.59 ATOM 352 CA PHE 23 5.498 -45.749 -8.945 1.00 21.52 ATOM 353 HA PHE 23 5.142 -46.418 -9.719 1.00 0.34 ATOM 354 CB PHE 23 5.800 -44.394 -9.586 1.00 43.51 ATOM 355 HB1 PHE 23 5.058 -44.207 -10.351 1.00 37.59 ATOM 356 HB2 PHE 23 6.779 -44.415 -10.051 1.00 34.31 ATOM 357 CG PHE 23 5.777 -43.251 -8.611 1.00 43.04 ATOM 358 CD1 PHE 23 6.570 -43.276 -7.475 1.00 74.31 ATOM 359 HD1 PHE 23 7.212 -44.102 -7.292 1.00 31.15 ATOM 360 CD2 PHE 23 4.963 -42.152 -8.831 1.00 51.23 ATOM 361 HD2 PHE 23 4.339 -42.117 -9.714 1.00 64.15 ATOM 362 CE1 PHE 23 6.551 -42.226 -6.576 1.00 62.43 ATOM 363 HE1 PHE 23 7.172 -42.263 -5.705 1.00 44.53 ATOM 364 CE2 PHE 23 4.941 -41.099 -7.936 1.00 55.24 ATOM 365 HE2 PHE 23 4.302 -40.248 -8.119 1.00 20.12 ATOM 366 CZ PHE 23 5.735 -41.137 -6.807 1.00 13.31 ATOM 367 HZ PHE 23 5.710 -40.319 -6.112 1.00 62.14 ATOM 368 C PHE 23 6.776 -46.344 -8.360 1.00 32.13 ATOM 369 O PHE 23 6.947 -46.401 -7.142 1.00 21.22 ATOM 370 N LYS 24 7.671 -46.787 -9.237 1.00 14.25 ATOM 371 HN LYS 24 7.480 -46.707 -10.203 1.00 37.59 ATOM 372 CA LYS 24 8.934 -47.377 -8.810 1.00 13.13 ATOM 373 HA LYS 24 8.718 -48.101 -8.031 1.00 70.20 ATOM 374 CB LYS 24 9.611 -48.088 -9.984 1.00 12.32 ATOM 375 HB1 LYS 24 10.256 -47.390 -10.505 1.00 37.59 ATOM 376 HB2 LYS 24 8.851 -48.420 -10.681 1.00 23.11 ATOM 377 CG LYS 24 10.456 -49.279 -9.568 1.00 4.11 ATOM 378 HG1 LYS 24 10.869 -49.110 -8.585 1.00 37.59 ATOM 379 HG2 LYS 24 11.267 -49.375 -10.278 1.00 62.44 ATOM 380 CD LYS 24 9.643 -50.562 -9.552 1.00 73.01 ATOM 381 HD1 LYS 24 8.848 -50.510 -10.286 1.00 37.59 ATOM 382 HD2 LYS 24 9.215 -50.690 -8.570 1.00 63.22 ATOM 383 CE LYS 24 10.506 -51.774 -9.868 1.00 3.41 ATOM 384 HE1 LYS 24 11.183 -51.943 -9.043 1.00 37.59 ATOM 385 HE2 LYS 24 11.076 -51.581 -10.767 1.00 73.43 ATOM 386 NZ LYS 24 9.687 -52.999 -10.080 1.00 12.15 ATOM 387 HZ1 LYS 24 9.136 -53.219 -9.224 1.00 24.41 ATOM 388 HZ2 LYS 24 10.306 -53.807 -10.293 1.00 23.13 ATOM 389 HZ3 LYS 24 9.032 -52.863 -10.878 1.00 5.10 ATOM 390 C LYS 24 9.866 -46.313 -8.240 1.00 3.13 ATOM 391 O LYS 24 10.877 -46.632 -7.614 1.00 71.12 ATOM 392 N GLN 25 9.519 -45.049 -8.459 1.00 52.01 ATOM 393 HN GLN 25 8.741 -44.841 -9.015 1.00 37.59 ATOM 394 CA GLN 25 10.325 -43.939 -7.966 1.00 5.10 ATOM 395 HA GLN 25 11.257 -43.967 -8.501 1.00 73.41 ATOM 396 CB GLN 25 9.607 -42.611 -8.211 1.00 44.32 ATOM 397 HB1 GLN 25 9.068 -42.326 -7.325 1.00 37.59 ATOM 398 HB2 GLN 25 8.907 -42.718 -9.027 1.00 1.05 ATOM 399 CG GLN 25 10.547 -41.466 -8.554 1.00 54.33 ATOM 400 HG1 GLN 25 11.195 -41.284 -7.708 1.00 37.59 ATOM 401 HG2 GLN 25 9.956 -40.582 -8.746 1.00 64.01 ATOM 402 CD GLN 25 11.394 -41.752 -9.779 1.00 34.45 ATOM 403 OE1 GLN 25 10.930 -41.624 -10.912 1.00 62.12 ATOM 404 NE2 GLN 25 12.643 -42.143 -9.556 1.00 70.20 ATOM 405 HE21 GLN 25 12.961 -42.229 -8.629 1.00 43.41 ATOM 406 HE22 GLN 25 13.207 -42.332 -10.335 1.00 23.01 ATOM 407 C GLN 25 10.625 -44.102 -6.479 1.00 52.24 ATOM 408 O GLN 25 11.771 -43.969 -6.048 1.00 32.12 ATOM 409 N LEU 26 9.588 -44.390 -5.700 1.00 51.54 ATOM 410 HN LEU 26 8.701 -44.489 -6.101 1.00 37.59 ATOM 411 CA LEU 26 9.739 -44.570 -4.261 1.00 25.42 ATOM 412 HA LEU 26 10.159 -43.666 -3.869 1.00 33.30 ATOM 413 CB LEU 26 8.377 -44.825 -3.613 1.00 25.32 ATOM 414 HB1 LEU 26 8.498 -45.543 -2.817 1.00 37.59 ATOM 415 HB2 LEU 26 7.725 -45.259 -4.352 1.00 32.30 ATOM 416 CG LEU 26 7.676 -43.602 -3.021 1.00 23.11 ATOM 417 HG LEU 26 7.514 -42.876 -3.797 1.00 30.11 ATOM 418 CD1 LEU 26 6.320 -43.988 -2.451 1.00 40.14 ATOM 419 HD11 LEU 26 6.453 -44.665 -1.618 1.00 53.34 ATOM 420 HD12 LEU 26 5.738 -44.471 -3.207 1.00 54.34 ATOM 421 HD13 LEU 26 5.803 -43.101 -2.113 1.00 43.34 ATOM 422 CD2 LEU 26 8.543 -42.957 -1.949 1.00 70.22 ATOM 423 HD21 LEU 26 9.054 -43.709 -1.364 1.00 51.13 ATOM 424 HD22 LEU 26 7.926 -42.354 -1.297 1.00 11.33 ATOM 425 HD23 LEU 26 9.256 -42.319 -2.430 1.00 60.02 ATOM 426 C LEU 26 10.686 -45.727 -3.954 1.00 12.31 ATOM 427 O LEU 26 11.341 -45.746 -2.912 1.00 31.14 ATOM 428 N TYR 27 10.754 -46.687 -4.869 1.00 33.32 ATOM 429 HN TYR 27 10.205 -46.635 -5.671 1.00 37.59 ATOM 430 CA TYR 27 11.620 -47.847 -4.696 1.00 71.40 ATOM 431 HA TYR 27 11.640 -48.111 -3.644 1.00 75.34 ATOM 432 CB TYR 27 11.079 -49.037 -5.491 1.00 41.12 ATOM 433 HB1 TYR 27 11.824 -49.826 -5.511 1.00 37.59 ATOM 434 HB2 TYR 27 10.880 -48.723 -6.499 1.00 5.00 ATOM 435 CG TYR 27 9.799 -49.611 -4.927 1.00 23.03 ATOM 436 CD1 TYR 27 9.771 -50.886 -4.375 1.00 21.02 ATOM 437 HD1 TYR 27 10.680 -51.472 -4.351 1.00 14.20 ATOM 438 CD2 TYR 27 8.618 -48.879 -4.946 1.00 24.41 ATOM 439 HD2 TYR 27 8.608 -47.892 -5.375 1.00 34.41 ATOM 440 CE1 TYR 27 8.604 -51.415 -3.858 1.00 61.25 ATOM 441 HE1 TYR 27 8.601 -52.406 -3.434 1.00 72.14 ATOM 442 CE2 TYR 27 7.447 -49.400 -4.430 1.00 42.15 ATOM 443 HE2 TYR 27 6.550 -48.826 -4.447 1.00 64.31 ATOM 444 CZ TYR 27 7.445 -50.668 -3.888 1.00 70.11 ATOM 445 OH TYR 27 6.280 -51.191 -3.375 1.00 50.30 ATOM 446 HH TYR 27 5.684 -51.428 -4.092 1.00 71.20 ATOM 447 C TYR 27 13.046 -47.533 -5.137 1.00 2.21 ATOM 448 O TYR 27 14.008 -48.088 -4.606 1.00 75.35 ATOM 449 N GLU 28 13.174 -46.637 -6.111 1.00 34.11 ATOM 450 HN GLU 28 12.375 -46.225 -6.510 1.00 37.59 ATOM 451 CA GLU 28 14.482 -46.248 -6.624 1.00 21.14 ATOM 452 HA GLU 28 15.196 -47.035 -6.408 1.00 20.13 ATOM 453 CB GLU 28 14.423 -46.053 -8.140 1.00 53.40 ATOM 454 HB1 GLU 28 15.369 -45.646 -8.480 1.00 37.59 ATOM 455 HB2 GLU 28 13.636 -45.350 -8.370 1.00 3.34 ATOM 456 CG GLU 28 14.154 -47.335 -8.909 1.00 70.21 ATOM 457 HG1 GLU 28 13.103 -47.572 -8.829 1.00 37.59 ATOM 458 HG2 GLU 28 14.737 -48.139 -8.478 1.00 55.04 ATOM 459 CD GLU 28 14.513 -47.221 -10.378 1.00 3.12 ATOM 460 OE1 GLU 28 14.186 -46.182 -10.989 1.00 3.12 ATOM 461 OE2 GLU 28 15.121 -48.170 -10.916 1.00 52.22 ATOM 462 C GLU 28 14.970 -44.967 -5.953 1.00 63.13 ATOM 463 O GLU 28 15.679 -44.165 -6.563 1.00 51.01 ATOM 464 N LEU 29 14.586 -44.781 -4.695 1.00 61.44 ATOM 465 HN LEU 29 14.057 -45.459 -4.235 1.00 37.59 ATOM 466 CA LEU 29 14.984 -43.598 -3.941 1.00 15.22 ATOM 467 HA LEU 29 14.923 -42.738 -4.595 1.00 50.51 ATOM 468 CB LEU 29 14.044 -43.388 -2.752 1.00 2.41 ATOM 469 HB1 LEU 29 14.486 -42.659 -2.081 1.00 37.59 ATOM 470 HB2 LEU 29 13.966 -44.326 -2.230 1.00 73.52 ATOM 471 CG LEU 29 12.627 -42.922 -3.090 1.00 24.20 ATOM 472 HG LEU 29 12.195 -43.627 -3.752 1.00 34.13 ATOM 473 CD1 LEU 29 11.777 -42.844 -1.832 1.00 32.02 ATOM 474 HD11 LEU 29 11.110 -42.006 -1.890 1.00 60.31 ATOM 475 HD12 LEU 29 12.405 -42.725 -0.958 1.00 44.42 ATOM 476 HD13 LEU 29 11.201 -43.745 -1.729 1.00 13.32 ATOM 477 CD2 LEU 29 12.663 -41.575 -3.797 1.00 10.14 ATOM 478 HD21 LEU 29 12.947 -41.733 -4.827 1.00 25.24 ATOM 479 HD22 LEU 29 13.386 -40.926 -3.338 1.00 35.31 ATOM 480 HD23 LEU 29 11.687 -41.108 -3.773 1.00 32.10 ATOM 481 C LEU 29 16.423 -43.722 -3.451 1.00 34.33 ATOM 482 O LEU 29 17.240 -42.825 -3.659 1.00 73.31 ATOM 483 N ASP 30 16.726 -44.840 -2.801 1.00 31.53 ATOM 484 HN ASP 30 16.053 -45.526 -2.704 1.00 37.59 ATOM 485 CA ASP 30 18.068 -45.084 -2.284 1.00 34.42 ATOM 486 HA ASP 30 18.691 -44.222 -2.498 1.00 13.44 ATOM 487 CB ASP 30 18.023 -45.298 -0.770 1.00 11.31 ATOM 488 HB1 ASP 30 17.748 -46.320 -0.544 1.00 37.59 ATOM 489 HB2 ASP 30 17.287 -44.632 -0.346 1.00 40.53 ATOM 490 CG ASP 30 19.351 -44.997 -0.103 1.00 52.34 ATOM 491 OD1 ASP 30 20.135 -45.944 0.110 1.00 23.31 ATOM 492 OD2 ASP 30 19.605 -43.813 0.206 1.00 63.54 ATOM 493 C ASP 30 18.699 -46.296 -2.962 1.00 45.23 ATOM 494 O ASP 30 19.899 -46.313 -3.233 1.00 44.41 ATOM 495 N GLY 31 17.882 -47.309 -3.233 1.00 65.33 ATOM 496 HN GLY 31 16.946 -47.262 -3.012 1.00 37.59 ATOM 497 CA GLY 31 18.380 -48.511 -3.877 1.00 32.35 ATOM 498 HA1 GLY 31 19.188 -48.263 -4.556 1.00 37.59 ATOM 499 HA2 GLY 31 17.575 -48.950 -4.449 1.00 23.34 ATOM 500 C GLY 31 18.875 -49.540 -2.879 1.00 73.14 ATOM 501 O GLY 31 20.013 -50.000 -2.966 1.00 22.54 ATOM 502 N ASP 32 18.019 -49.900 -1.930 1.00 33.54 ATOM 503 HN ASP 32 17.117 -49.517 -1.917 1.00 37.59 ATOM 504 CA ASP 32 18.375 -50.881 -0.911 1.00 24.12 ATOM 505 HA ASP 32 19.397 -51.194 -1.087 1.00 62.22 ATOM 506 CB ASP 32 18.275 -50.260 0.483 1.00 15.31 ATOM 507 HB1 ASP 32 17.907 -50.992 1.192 1.00 37.59 ATOM 508 HB2 ASP 32 17.589 -49.425 0.459 1.00 3.31 ATOM 509 CG ASP 32 19.612 -49.757 0.991 1.00 33.42 ATOM 510 OD1 ASP 32 19.885 -49.915 2.200 1.00 71.23 ATOM 511 OD2 ASP 32 20.385 -49.207 0.180 1.00 23.21 ATOM 512 C ASP 32 17.475 -52.109 -1.000 1.00 61.41 ATOM 513 O ASP 32 16.348 -52.049 -1.492 1.00 10.22 ATOM 514 N PRO 33 17.983 -53.252 -0.515 1.00 33.14 ATOM 515 CA PRO 33 17.241 -54.517 -0.529 1.00 3.42 ATOM 516 HA PRO 33 16.892 -54.758 -1.519 1.00 44.20 ATOM 517 CB PRO 33 18.288 -55.546 -0.097 1.00 21.44 ATOM 518 HB1 PRO 33 18.750 -55.973 -0.974 1.00 37.59 ATOM 519 HB2 PRO 33 17.835 -56.335 0.491 1.00 70.22 ATOM 520 CG PRO 33 19.277 -54.769 0.701 1.00 4.01 ATOM 521 HG1 PRO 33 20.248 -55.237 0.639 1.00 37.59 ATOM 522 HG2 PRO 33 18.953 -54.709 1.730 1.00 25.13 ATOM 523 CD PRO 33 19.319 -53.397 0.086 1.00 63.50 ATOM 524 HD1 PRO 33 20.090 -53.345 -0.669 1.00 37.59 ATOM 525 HD2 PRO 33 19.487 -52.656 0.851 1.00 43.03 ATOM 526 C PRO 33 16.067 -54.511 0.444 1.00 54.25 ATOM 527 O PRO 33 15.198 -55.382 0.390 1.00 24.10 ATOM 528 N LYS 34 16.045 -53.523 1.332 1.00 52.01 ATOM 529 HN LYS 34 16.777 -52.874 1.373 1.00 37.59 ATOM 530 CA LYS 34 14.976 -53.402 2.316 1.00 52.20 ATOM 531 HA LYS 34 14.464 -54.352 2.403 1.00 33.01 ATOM 532 CB LYS 34 15.555 -53.043 3.686 1.00 15.44 ATOM 533 HB1 LYS 34 14.742 -52.882 4.383 1.00 37.59 ATOM 534 HB2 LYS 34 16.109 -52.118 3.586 1.00 24.32 ATOM 535 CG LYS 34 16.501 -54.093 4.241 1.00 20.02 ATOM 536 HG1 LYS 34 17.428 -53.608 4.498 1.00 37.59 ATOM 537 HG2 LYS 34 16.696 -54.845 3.484 1.00 30.52 ATOM 538 CD LYS 34 15.915 -54.783 5.461 1.00 33.42 ATOM 539 HD1 LYS 34 16.080 -55.846 5.361 1.00 37.59 ATOM 540 HD2 LYS 34 14.851 -54.599 5.535 1.00 14.30 ATOM 541 CE LYS 34 16.585 -54.314 6.743 1.00 2.12 ATOM 542 HE1 LYS 34 16.087 -54.778 7.582 1.00 37.59 ATOM 543 HE2 LYS 34 16.489 -53.240 6.821 1.00 32.14 ATOM 544 NZ LYS 34 18.029 -54.677 6.779 1.00 10.11 ATOM 545 HZ1 LYS 34 18.415 -54.486 7.726 1.00 30.24 ATOM 546 HZ2 LYS 34 18.564 -54.118 6.089 1.00 31.41 ATOM 547 HZ3 LYS 34 18.159 -55.689 6.567 1.00 70.40 ATOM 548 C LYS 34 13.960 -52.347 1.889 1.00 42.10 ATOM 549 O LYS 34 12.864 -52.267 2.443 1.00 74.40 ATOM 550 N ARG 35 14.332 -51.540 0.900 1.00 31.14 ATOM 551 HN ARG 35 15.222 -51.634 0.502 1.00 37.59 ATOM 552 CA ARG 35 13.453 -50.490 0.399 1.00 32.54 ATOM 553 HA ARG 35 13.319 -49.774 1.198 1.00 11.11 ATOM 554 CB ARG 35 14.084 -49.802 -0.812 1.00 3.00 ATOM 555 HB1 ARG 35 13.714 -50.235 -1.731 1.00 37.59 ATOM 556 HB2 ARG 35 15.152 -49.966 -0.779 1.00 42.03 ATOM 557 CG ARG 35 13.818 -48.307 -0.870 1.00 2.41 ATOM 558 HG1 ARG 35 13.434 -47.961 0.081 1.00 37.59 ATOM 559 HG2 ARG 35 13.081 -48.120 -1.638 1.00 63.03 ATOM 560 CD ARG 35 15.079 -47.529 -1.213 1.00 25.34 ATOM 561 HD1 ARG 35 15.062 -47.333 -2.271 1.00 37.59 ATOM 562 HD2 ARG 35 15.961 -48.103 -0.968 1.00 63.34 ATOM 563 NE ARG 35 15.146 -46.254 -0.504 1.00 30.11 ATOM 564 HE ARG 35 15.033 -45.442 -1.022 1.00 62.41 ATOM 565 CZ ARG 35 15.335 -46.151 0.807 1.00 41.31 ATOM 566 NH1 ARG 35 15.476 -47.241 1.548 1.00 60.23 ATOM 567 HH11 ARG 35 15.443 -48.154 1.154 1.00 13.21 ATOM 568 HH12 ARG 35 15.647 -47.148 2.523 1.00 15.44 ATOM 569 NH2 ARG 35 15.384 -44.955 1.379 1.00 11.51 ATOM 570 HH21 ARG 35 15.270 -44.128 0.825 1.00 63.21 ATOM 571 HH22 ARG 35 15.561 -44.871 2.357 1.00 1.25 ATOM 572 C ARG 35 12.088 -51.059 0.021 1.00 42.12 ATOM 573 O ARG 35 11.070 -50.710 0.619 1.00 23.11 ATOM 574 N LYS 36 12.075 -51.936 -0.977 1.00 73.11 ATOM 575 HN LYS 36 12.912 -52.144 -1.438 1.00 37.59 ATOM 576 CA LYS 36 10.837 -52.554 -1.436 1.00 74.33 ATOM 577 HA LYS 36 10.214 -51.779 -1.834 1.00 50.44 ATOM 578 CB LYS 36 11.131 -53.583 -2.531 1.00 2.43 ATOM 579 HB1 LYS 36 11.829 -53.168 -3.236 1.00 37.59 ATOM 580 HB2 LYS 36 10.206 -53.788 -3.051 1.00 24.30 ATOM 581 CG LYS 36 11.654 -54.905 -1.998 1.00 30.34 ATOM 582 HG1 LYS 36 11.631 -55.625 -2.802 1.00 37.59 ATOM 583 HG2 LYS 36 11.028 -55.272 -1.204 1.00 44.40 ATOM 584 CD LYS 36 13.082 -54.779 -1.495 1.00 44.42 ATOM 585 HD1 LYS 36 13.389 -55.748 -1.133 1.00 37.59 ATOM 586 HD2 LYS 36 13.141 -54.073 -0.696 1.00 51.42 ATOM 587 CE LYS 36 14.031 -54.366 -2.610 1.00 51.23 ATOM 588 HE1 LYS 36 15.038 -54.461 -2.251 1.00 37.59 ATOM 589 HE2 LYS 36 13.850 -53.340 -2.880 1.00 11.25 ATOM 590 NZ LYS 36 13.874 -55.223 -3.818 1.00 23.54 ATOM 591 HZ1 LYS 36 14.695 -55.098 -4.445 1.00 1.32 ATOM 592 HZ2 LYS 36 13.018 -54.955 -4.343 1.00 50.04 ATOM 593 HZ3 LYS 36 13.808 -56.230 -3.555 1.00 22.01 ATOM 594 C LYS 36 10.101 -53.224 -0.280 1.00 1.32 ATOM 595 O LYS 36 8.875 -53.322 -0.287 1.00 74.31 ATOM 596 N GLU 37 10.859 -53.680 0.713 1.00 71.35 ATOM 597 HN GLU 37 11.829 -53.595 0.668 1.00 37.59 ATOM 598 CA GLU 37 10.277 -54.339 1.876 1.00 62.51 ATOM 599 HA GLU 37 9.574 -55.086 1.525 1.00 11.42 ATOM 600 CB GLU 37 11.370 -55.017 2.705 1.00 31.41 ATOM 601 HB1 GLU 37 11.129 -54.937 3.757 1.00 37.59 ATOM 602 HB2 GLU 37 12.305 -54.510 2.538 1.00 4.20 ATOM 603 CG GLU 37 11.579 -56.481 2.356 1.00 64.25 ATOM 604 HG1 GLU 37 12.595 -56.608 2.010 1.00 37.59 ATOM 605 HG2 GLU 37 10.899 -56.779 1.568 1.00 23.01 ATOM 606 CD GLU 37 11.363 -57.401 3.542 1.00 42.15 ATOM 607 OE1 GLU 37 10.455 -57.122 4.352 1.00 51.04 ATOM 608 OE2 GLU 37 12.103 -58.400 3.659 1.00 60.30 ATOM 609 C GLU 37 9.512 -53.342 2.741 1.00 44.42 ATOM 610 O GLU 37 8.371 -53.589 3.132 1.00 44.31 ATOM 611 N PHE 38 10.150 -52.213 3.036 1.00 34.51 ATOM 612 HN PHE 38 11.064 -52.070 2.694 1.00 37.59 ATOM 613 CA PHE 38 9.531 -51.178 3.856 1.00 60.20 ATOM 614 HA PHE 38 9.245 -51.621 4.801 1.00 10.41 ATOM 615 CB PHE 38 10.527 -50.048 4.125 1.00 32.11 ATOM 616 HB1 PHE 38 10.877 -49.656 3.178 1.00 37.59 ATOM 617 HB2 PHE 38 11.374 -50.452 4.666 1.00 40.51 ATOM 618 CG PHE 38 9.946 -48.915 4.921 1.00 4.35 ATOM 619 CD1 PHE 38 9.236 -47.903 4.295 1.00 5.23 ATOM 620 HD1 PHE 38 9.101 -47.932 3.227 1.00 31.11 ATOM 621 CD2 PHE 38 10.110 -48.861 6.296 1.00 22.22 ATOM 622 HD2 PHE 38 10.662 -49.643 6.799 1.00 24.51 ATOM 623 CE1 PHE 38 8.702 -46.858 5.026 1.00 61.42 ATOM 624 HE1 PHE 38 8.151 -46.075 4.526 1.00 23.11 ATOM 625 CE2 PHE 38 9.578 -47.819 7.032 1.00 33.41 ATOM 626 HE2 PHE 38 9.718 -47.784 8.101 1.00 4.52 ATOM 627 CZ PHE 38 8.872 -46.817 6.396 1.00 72.20 ATOM 628 HZ PHE 38 8.454 -46.003 6.967 1.00 74.02 ATOM 629 C PHE 38 8.283 -50.621 3.178 1.00 50.32 ATOM 630 O PHE 38 7.240 -50.454 3.811 1.00 32.44 ATOM 631 N LEU 39 8.398 -50.333 1.886 1.00 74.31 ATOM 632 HN LEU 39 9.262 -50.480 1.431 1.00 37.59 ATOM 633 CA LEU 39 7.279 -49.794 1.120 1.00 3.30 ATOM 634 HA LEU 39 6.916 -48.912 1.623 1.00 65.31 ATOM 635 CB LEU 39 7.735 -49.423 -0.293 1.00 33.25 ATOM 636 HB1 LEU 39 6.877 -49.132 -0.864 1.00 37.59 ATOM 637 HB2 LEU 39 8.159 -50.307 -0.749 1.00 60.03 ATOM 638 CG LEU 39 8.770 -48.302 -0.392 1.00 21.44 ATOM 639 HG LEU 39 9.701 -48.643 0.037 1.00 35.41 ATOM 640 CD1 LEU 39 9.028 -47.941 -1.846 1.00 53.31 ATOM 641 HD11 LEU 39 9.725 -47.127 -1.887 1.00 44.21 ATOM 642 HD12 LEU 39 8.103 -47.651 -2.325 1.00 34.11 ATOM 643 HD13 LEU 39 9.447 -48.795 -2.352 1.00 35.12 ATOM 644 CD2 LEU 39 8.310 -47.081 0.390 1.00 1.33 ATOM 645 HD21 LEU 39 8.261 -47.312 1.438 1.00 15.13 ATOM 646 HD22 LEU 39 7.333 -46.771 0.045 1.00 5.21 ATOM 647 HD23 LEU 39 9.012 -46.270 0.242 1.00 62.41 ATOM 648 C LEU 39 6.133 -50.797 1.050 1.00 34.12 ATOM 649 O LEU 39 5.019 -50.514 1.493 1.00 24.55 ATOM 650 N ASP 40 6.413 -51.970 0.493 1.00 51.12 ATOM 651 HN ASP 40 7.325 -52.137 0.154 1.00 37.59 ATOM 652 CA ASP 40 5.406 -53.017 0.368 1.00 72.21 ATOM 653 HA ASP 40 4.649 -52.669 -0.320 1.00 43.32 ATOM 654 CB ASP 40 6.035 -54.295 -0.190 1.00 54.01 ATOM 655 HB1 ASP 40 6.799 -54.645 0.490 1.00 37.59 ATOM 656 HB2 ASP 40 6.486 -54.077 -1.147 1.00 75.41 ATOM 657 CG ASP 40 5.019 -55.403 -0.384 1.00 35.42 ATOM 658 OD1 ASP 40 5.436 -56.552 -0.640 1.00 12.01 ATOM 659 OD2 ASP 40 3.806 -55.122 -0.280 1.00 70.10 ATOM 660 C ASP 40 4.751 -53.304 1.715 1.00 35.42 ATOM 661 O ASP 40 3.525 -53.302 1.834 1.00 61.53 ATOM 662 N ASP 41 5.575 -53.552 2.727 1.00 13.02 ATOM 663 HN ASP 41 6.550 -53.540 2.569 1.00 37.59 ATOM 664 CA ASP 41 5.076 -53.841 4.067 1.00 75.24 ATOM 665 HA ASP 41 4.429 -54.707 4.007 1.00 32.31 ATOM 666 CB ASP 41 6.238 -54.150 5.011 1.00 32.54 ATOM 667 HB1 ASP 41 5.864 -54.229 6.025 1.00 37.59 ATOM 668 HB2 ASP 41 6.958 -53.351 4.968 1.00 24.11 ATOM 669 CG ASP 41 6.930 -55.456 4.670 1.00 12.52 ATOM 670 OD1 ASP 41 8.017 -55.714 5.228 1.00 15.10 ATOM 671 OD2 ASP 41 6.385 -56.218 3.845 1.00 71.24 ATOM 672 C ASP 41 4.262 -52.670 4.608 1.00 54.01 ATOM 673 O ASP 41 3.282 -52.862 5.330 1.00 50.34 ATOM 674 N LEU 42 4.674 -51.457 4.256 1.00 73.21 ATOM 675 HN LEU 42 5.473 -51.359 3.687 1.00 37.59 ATOM 676 CA LEU 42 3.984 -50.254 4.707 1.00 14.30 ATOM 677 HA LEU 42 3.885 -50.302 5.784 1.00 41.31 ATOM 678 CB LEU 42 4.797 -49.010 4.346 1.00 41.34 ATOM 679 HB1 LEU 42 5.033 -49.067 3.297 1.00 37.59 ATOM 680 HB2 LEU 42 5.725 -49.048 4.900 1.00 61.33 ATOM 681 CG LEU 42 4.125 -47.664 4.622 1.00 31.43 ATOM 682 HG LEU 42 3.077 -47.729 4.430 1.00 22.42 ATOM 683 CD1 LEU 42 4.299 -47.270 6.081 1.00 65.33 ATOM 684 HD11 LEU 42 3.755 -46.359 6.275 1.00 53.44 ATOM 685 HD12 LEU 42 5.347 -47.117 6.297 1.00 10.14 ATOM 686 HD13 LEU 42 3.913 -48.055 6.718 1.00 73.20 ATOM 687 CD2 LEU 42 4.689 -46.588 3.706 1.00 74.21 ATOM 688 HD21 LEU 42 4.531 -46.871 2.674 1.00 4.12 ATOM 689 HD22 LEU 42 5.749 -46.472 3.888 1.00 72.13 ATOM 690 HD23 LEU 42 4.187 -45.649 3.897 1.00 42.32 ATOM 691 C LEU 42 2.591 -50.161 4.091 1.00 22.32 ATOM 692 O LEU 42 1.600 -49.970 4.797 1.00 63.34 ATOM 693 N PHE 43 2.523 -50.300 2.771 1.00 22.13 ATOM 694 HN PHE 43 3.353 -50.472 2.269 1.00 37.59 ATOM 695 CA PHE 43 1.252 -50.234 2.060 1.00 11.41 ATOM 696 HA PHE 43 0.821 -49.261 2.226 1.00 51.52 ATOM 697 CB PHE 43 1.473 -50.428 0.558 1.00 15.55 ATOM 698 HB1 PHE 43 0.551 -50.212 0.038 1.00 37.59 ATOM 699 HB2 PHE 43 1.752 -51.459 0.370 1.00 5.33 ATOM 700 CG PHE 43 2.542 -49.539 -0.010 1.00 23.42 ATOM 701 CD1 PHE 43 2.712 -48.248 0.463 1.00 41.15 ATOM 702 HD1 PHE 43 2.084 -47.877 1.248 1.00 74.10 ATOM 703 CD2 PHE 43 3.378 -49.996 -1.016 1.00 23.21 ATOM 704 HD2 PHE 43 3.258 -51.002 -1.396 1.00 34.21 ATOM 705 CE1 PHE 43 3.695 -47.429 -0.059 1.00 41.53 ATOM 706 HE1 PHE 43 3.817 -46.424 0.318 1.00 72.13 ATOM 707 CE2 PHE 43 4.363 -49.181 -1.541 1.00 64.43 ATOM 708 HE2 PHE 43 5.003 -49.543 -2.323 1.00 35.52 ATOM 709 CZ PHE 43 4.523 -47.896 -1.062 1.00 34.24 ATOM 710 HZ PHE 43 5.292 -47.257 -1.471 1.00 41.21 ATOM 711 C PHE 43 0.280 -51.288 2.583 1.00 3.51 ATOM 712 O PHE 43 -0.885 -50.995 2.849 1.00 34.13 ATOM 713 N SER 44 0.769 -52.515 2.727 1.00 24.11 ATOM 714 HN SER 44 1.714 -52.686 2.502 1.00 37.59 ATOM 715 CA SER 44 -0.056 -53.614 3.214 1.00 62.52 ATOM 716 HA SER 44 -0.955 -53.650 2.619 1.00 54.24 ATOM 717 CB SER 44 0.682 -54.945 3.052 1.00 44.34 ATOM 718 HB1 SER 44 1.619 -54.794 2.533 1.00 37.59 ATOM 719 HB2 SER 44 0.072 -55.622 2.478 1.00 23.23 ATOM 720 OG SER 44 0.957 -55.532 4.311 1.00 20.54 ATOM 721 HG SER 44 1.519 -56.301 4.190 1.00 75.43 ATOM 722 C SER 44 -0.433 -53.404 4.677 1.00 22.22 ATOM 723 O SER 44 -1.575 -53.633 5.075 1.00 53.31 ATOM 724 N PHE 45 0.536 -52.967 5.474 1.00 25.24 ATOM 725 HN PHE 45 1.437 -52.814 5.104 1.00 37.59 ATOM 726 CA PHE 45 0.308 -52.727 6.894 1.00 2.44 ATOM 727 HA PHE 45 0.076 -53.674 7.360 1.00 73.31 ATOM 728 CB PHE 45 1.568 -52.150 7.545 1.00 74.14 ATOM 729 HB1 PHE 45 1.959 -51.361 6.914 1.00 37.59 ATOM 730 HB2 PHE 45 2.311 -52.934 7.622 1.00 75.13 ATOM 731 CG PHE 45 1.331 -51.592 8.919 1.00 20.40 ATOM 732 CD1 PHE 45 1.237 -52.434 10.016 1.00 42.22 ATOM 733 HD1 PHE 45 1.336 -53.502 9.880 1.00 24.11 ATOM 734 CD2 PHE 45 1.202 -50.227 9.114 1.00 11.31 ATOM 735 HD2 PHE 45 1.273 -49.557 8.268 1.00 32.05 ATOM 736 CE1 PHE 45 1.020 -51.924 11.282 1.00 11.10 ATOM 737 HE1 PHE 45 0.948 -52.591 12.129 1.00 22.30 ATOM 738 CE2 PHE 45 0.985 -49.711 10.378 1.00 60.01 ATOM 739 HE2 PHE 45 0.876 -48.661 10.500 1.00 54.23 ATOM 740 CZ PHE 45 0.893 -50.561 11.463 1.00 53.30 ATOM 741 HZ PHE 45 0.720 -50.160 12.447 1.00 34.13 ATOM 742 C PHE 45 -0.866 -51.775 7.103 1.00 74.12 ATOM 743 O PHE 45 -1.796 -52.075 7.851 1.00 74.01 ATOM 744 N MET 46 -0.815 -50.627 6.436 1.00 55.31 ATOM 745 HN MET 46 -0.029 -50.446 5.873 1.00 37.59 ATOM 746 CA MET 46 -1.875 -49.631 6.547 1.00 32.12 ATOM 747 HA MET 46 -2.106 -49.508 7.579 1.00 42.54 ATOM 748 CB MET 46 -1.398 -48.284 6.002 1.00 2.20 ATOM 749 HB1 MET 46 -0.571 -47.959 6.619 1.00 37.59 ATOM 750 HB2 MET 46 -2.185 -47.564 6.086 1.00 63.02 ATOM 751 CG MET 46 -0.934 -48.343 4.555 1.00 35.35 ATOM 752 HG1 MET 46 -1.769 -48.144 3.920 1.00 37.59 ATOM 753 HG2 MET 46 -0.555 -49.311 4.328 1.00 24.33 ATOM 754 SD MET 46 0.352 -47.135 4.188 1.00 24.01 ATOM 755 CE MET 46 -0.591 -45.613 4.226 1.00 73.23 ATOM 756 HE1 MET 46 0.030 -44.805 3.909 1.00 62.33 ATOM 757 HE2 MET 46 -0.939 -45.428 5.231 1.00 13.01 ATOM 758 HE3 MET 46 -1.437 -45.698 3.561 1.00 0.24 ATOM 759 C MET 46 -3.125 -50.082 5.798 1.00 14.24 ATOM 760 O MET 46 -4.243 -49.715 6.162 1.00 65.41 ATOM 761 N GLN 47 -2.928 -50.877 4.752 1.00 35.41 ATOM 762 HN GLN 47 -2.012 -51.127 4.492 1.00 37.59 ATOM 763 CA GLN 47 -4.041 -51.376 3.952 1.00 20.34 ATOM 764 HA GLN 47 -4.622 -50.528 3.613 1.00 74.31 ATOM 765 CB GLN 47 -3.519 -52.132 2.729 1.00 2.11 ATOM 766 HB1 GLN 47 -2.702 -52.760 3.035 1.00 37.59 ATOM 767 HB2 GLN 47 -3.161 -51.414 2.006 1.00 4.12 ATOM 768 CG GLN 47 -4.566 -53.010 2.064 1.00 72.22 ATOM 769 HG1 GLN 47 -5.454 -52.421 1.879 1.00 37.59 ATOM 770 HG2 GLN 47 -4.809 -53.829 2.726 1.00 40.14 ATOM 771 CD GLN 47 -4.082 -53.608 0.758 1.00 61.33 ATOM 772 OE1 GLN 47 -3.119 -54.376 0.732 1.00 13.31 ATOM 773 NE2 GLN 47 -4.748 -53.260 -0.337 1.00 15.44 ATOM 774 HE21 GLN 47 -5.511 -52.643 -0.262 1.00 44.34 ATOM 775 HE22 GLN 47 -4.448 -53.638 -1.190 1.00 44.43 ATOM 776 C GLN 47 -4.942 -52.286 4.781 1.00 62.53 ATOM 777 O GLN 47 -6.143 -52.386 4.528 1.00 24.32 ATOM 778 N LYS 48 -4.354 -52.950 5.771 1.00 13.50 ATOM 779 HN LYS 48 -3.386 -52.846 5.923 1.00 37.59 ATOM 780 CA LYS 48 -5.103 -53.852 6.638 1.00 2.42 ATOM 781 HA LYS 48 -5.711 -54.498 6.014 1.00 42.33 ATOM 782 CB LYS 48 -4.143 -54.709 7.466 1.00 33.41 ATOM 783 HB1 LYS 48 -4.639 -55.019 8.380 1.00 37.59 ATOM 784 HB2 LYS 48 -3.286 -54.107 7.737 1.00 52.30 ATOM 785 CG LYS 48 -3.682 -55.968 6.752 1.00 50.03 ATOM 786 HG1 LYS 48 -4.010 -55.934 5.723 1.00 37.59 ATOM 787 HG2 LYS 48 -4.132 -56.822 7.239 1.00 34.14 ATOM 788 CD LYS 48 -2.171 -56.121 6.811 1.00 54.23 ATOM 789 HD1 LYS 48 -1.914 -56.633 7.727 1.00 37.59 ATOM 790 HD2 LYS 48 -1.693 -55.156 6.799 1.00 64.34 ATOM 791 CE LYS 48 -1.648 -56.938 5.640 1.00 62.13 ATOM 792 HE1 LYS 48 -2.098 -57.921 5.667 1.00 37.59 ATOM 793 HE2 LYS 48 -0.577 -57.033 5.736 1.00 65.04 ATOM 794 NZ LYS 48 -1.959 -56.297 4.332 1.00 1.43 ATOM 795 HZ1 LYS 48 -1.904 -55.275 4.386 1.00 54.01 ATOM 796 HZ2 LYS 48 -2.919 -56.558 4.033 1.00 32.42 ATOM 797 HZ3 LYS 48 -1.299 -56.639 3.614 1.00 2.24 ATOM 798 C LYS 48 -6.031 -53.071 7.564 1.00 70.24 ATOM 799 O LYS 48 -7.201 -53.420 7.723 1.00 22.31 ATOM 800 N ARG 49 -5.502 -52.013 8.170 1.00 73.23 ATOM 801 HN ARG 49 -4.553 -51.818 8.023 1.00 37.59 ATOM 802 CA ARG 49 -6.284 -51.184 9.079 1.00 50.44 ATOM 803 HA ARG 49 -6.747 -51.829 9.815 1.00 64.22 ATOM 804 CB ARG 49 -5.376 -50.188 9.803 1.00 51.35 ATOM 805 HB1 ARG 49 -4.782 -50.752 10.497 1.00 37.59 ATOM 806 HB2 ARG 49 -5.985 -49.481 10.356 1.00 50.25 ATOM 807 CG ARG 49 -4.449 -49.421 8.873 1.00 74.20 ATOM 808 HG1 ARG 49 -5.050 -48.937 8.134 1.00 37.59 ATOM 809 HG2 ARG 49 -3.785 -50.113 8.417 1.00 33.24 ATOM 810 CD ARG 49 -3.638 -48.381 9.629 1.00 50.31 ATOM 811 HD1 ARG 49 -4.204 -47.465 9.670 1.00 37.59 ATOM 812 HD2 ARG 49 -2.711 -48.202 9.108 1.00 73.31 ATOM 813 NE ARG 49 -3.349 -48.801 10.997 1.00 4.34 ATOM 814 HE ARG 49 -3.774 -48.294 11.723 1.00 21.20 ATOM 815 CZ ARG 49 -2.552 -49.819 11.300 1.00 24.25 ATOM 816 NH1 ARG 49 -1.967 -50.518 10.337 1.00 54.22 ATOM 817 HH11 ARG 49 -2.073 -50.289 9.388 1.00 34.45 ATOM 818 HH12 ARG 49 -1.452 -51.335 10.572 1.00 43.41 ATOM 819 NH2 ARG 49 -2.337 -50.140 12.570 1.00 71.40 ATOM 820 HH21 ARG 49 -2.775 -49.616 13.303 1.00 4.11 ATOM 821 HH22 ARG 49 -1.736 -50.908 12.801 1.00 34.01 ATOM 822 C ARG 49 -7.379 -50.435 8.325 1.00 15.11 ATOM 823 O ARG 49 -8.382 -50.027 8.910 1.00 3.41 ATOM 824 N GLY 50 -7.180 -50.258 7.022 1.00 0.14 ATOM 825 HN GLY 50 -6.357 -50.570 6.593 1.00 37.59 ATOM 826 CA GLY 50 -8.158 -49.558 6.210 1.00 33.15 ATOM 827 HA1 GLY 50 -9.095 -49.450 6.743 1.00 37.59 ATOM 828 HA2 GLY 50 -8.340 -50.143 5.321 1.00 43.14 ATOM 829 C GLY 50 -7.681 -48.184 5.784 1.00 15.11 ATOM 830 O GLY 50 -8.420 -47.203 5.883 1.00 24.14 ATOM 831 N THR 51 -6.442 -48.110 5.309 1.00 71.24 ATOM 832 HN THR 51 -5.894 -48.928 5.251 1.00 37.59 ATOM 833 CA THR 51 -5.866 -46.846 4.868 1.00 12.14 ATOM 834 HA THR 51 -6.605 -46.313 4.282 1.00 30.20 ATOM 835 CB THR 51 -5.487 -45.954 6.066 1.00 52.03 ATOM 836 HB THR 51 -6.388 -45.706 6.610 1.00 4.25 ATOM 837 OG1 THR 51 -4.874 -44.746 5.602 1.00 23.10 ATOM 838 HG1 THR 51 -5.553 -44.128 5.320 1.00 45.33 ATOM 839 CG2 THR 51 -4.538 -46.683 7.004 1.00 22.04 ATOM 840 HG21 THR 51 -4.247 -47.630 6.607 1.00 1.14 ATOM 841 HG22 THR 51 -5.043 -46.829 7.938 1.00 73.30 ATOM 842 HG23 THR 51 -3.656 -46.078 7.171 1.00 71.23 ATOM 843 C THR 51 -4.629 -47.075 4.008 1.00 23.23 ATOM 844 O THR 51 -3.506 -46.748 4.394 1.00 60.42 ATOM 845 N PRO 52 -4.835 -47.650 2.814 1.00 12.11 ATOM 846 CA PRO 52 -3.747 -47.935 1.874 1.00 53.52 ATOM 847 HA PRO 52 -2.964 -48.513 2.334 1.00 10.44 ATOM 848 CB PRO 52 -4.426 -48.776 0.790 1.00 11.11 ATOM 849 HB1 PRO 52 -4.310 -49.821 1.029 1.00 37.59 ATOM 850 HB2 PRO 52 -4.008 -48.587 -0.188 1.00 75.04 ATOM 851 CG PRO 52 -5.861 -48.381 0.847 1.00 13.23 ATOM 852 HG1 PRO 52 -6.481 -49.200 0.512 1.00 37.59 ATOM 853 HG2 PRO 52 -6.026 -47.508 0.233 1.00 11.00 ATOM 854 CD PRO 52 -6.147 -48.066 2.290 1.00 41.34 ATOM 855 HD1 PRO 52 -6.508 -48.944 2.804 1.00 37.59 ATOM 856 HD2 PRO 52 -6.866 -47.264 2.358 1.00 22.44 ATOM 857 C PRO 52 -3.156 -46.665 1.270 1.00 22.23 ATOM 858 O PRO 52 -3.440 -45.558 1.727 1.00 3.21 ATOM 859 N VAL 53 -2.332 -46.833 0.241 1.00 71.25 ATOM 860 HN VAL 53 -2.108 -47.738 -0.072 1.00 37.59 ATOM 861 CA VAL 53 -1.702 -45.700 -0.427 1.00 23.51 ATOM 862 HA VAL 53 -1.960 -44.784 0.099 1.00 73.22 ATOM 863 CB VAL 53 -0.167 -45.826 -0.416 1.00 63.12 ATOM 864 HB VAL 53 0.109 -46.723 -0.955 1.00 72.14 ATOM 865 CG1 VAL 53 0.472 -44.636 -1.116 1.00 55.13 ATOM 866 HG11 VAL 53 1.544 -44.655 -0.963 1.00 55.34 ATOM 867 HG12 VAL 53 0.076 -43.720 -0.721 1.00 14.44 ATOM 868 HG13 VAL 53 0.273 -44.684 -2.176 1.00 51.21 ATOM 869 CG2 VAL 53 0.347 -45.955 1.010 1.00 41.42 ATOM 870 HG21 VAL 53 -0.092 -45.200 1.629 1.00 25.35 ATOM 871 HG22 VAL 53 1.424 -45.851 1.028 1.00 31.33 ATOM 872 HG23 VAL 53 0.077 -46.928 1.381 1.00 50.12 ATOM 873 C VAL 53 -2.181 -45.576 -1.869 1.00 24.21 ATOM 874 O VAL 53 -1.624 -46.196 -2.774 1.00 22.11 ATOM 875 N ASN 54 -3.217 -44.770 -2.075 1.00 41.01 ATOM 876 HN ASN 54 -3.617 -44.293 -1.308 1.00 37.59 ATOM 877 CA ASN 54 -3.772 -44.564 -3.408 1.00 45.01 ATOM 878 HA ASN 54 -3.945 -45.533 -3.859 1.00 73.22 ATOM 879 CB ASN 54 -5.106 -43.822 -3.319 1.00 14.34 ATOM 880 HB1 ASN 54 -4.972 -42.930 -2.725 1.00 37.59 ATOM 881 HB2 ASN 54 -5.834 -44.459 -2.836 1.00 15.42 ATOM 882 CG ASN 54 -5.634 -43.414 -4.681 1.00 3.22 ATOM 883 OD1 ASN 54 -5.213 -42.404 -5.245 1.00 2.44 ATOM 884 ND2 ASN 54 -6.560 -44.200 -5.216 1.00 72.21 ATOM 885 HD21 ASN 54 -6.859 -44.996 -4.720 1.00 61.55 ATOM 886 HD22 ASN 54 -6.914 -43.953 -6.096 1.00 60.43 ATOM 887 C ASN 54 -2.800 -43.782 -4.287 1.00 1.23 ATOM 888 O ASN 54 -2.324 -44.285 -5.304 1.00 72.44 ATOM 889 N ARG 55 -2.510 -42.549 -3.886 1.00 5.53 ATOM 890 HN ARG 55 -2.904 -42.202 -3.052 1.00 37.59 ATOM 891 CA ARG 55 -1.595 -41.696 -4.636 1.00 72.43 ATOM 892 HA ARG 55 -1.158 -42.263 -5.449 1.00 21.30 ATOM 893 CB ARG 55 -2.347 -40.504 -5.231 1.00 33.23 ATOM 894 HB1 ARG 55 -2.933 -40.850 -6.069 1.00 37.59 ATOM 895 HB2 ARG 55 -1.632 -39.776 -5.585 1.00 45.30 ATOM 896 CG ARG 55 -3.286 -39.824 -4.247 1.00 64.31 ATOM 897 HG1 ARG 55 -2.753 -39.632 -3.325 1.00 37.59 ATOM 898 HG2 ARG 55 -4.122 -40.479 -4.049 1.00 4.22 ATOM 899 CD ARG 55 -3.803 -38.503 -4.794 1.00 35.04 ATOM 900 HD1 ARG 55 -3.050 -38.041 -5.405 1.00 37.59 ATOM 901 HD2 ARG 55 -4.008 -37.866 -3.946 1.00 73.22 ATOM 902 NE ARG 55 -5.026 -38.675 -5.574 1.00 63.03 ATOM 903 HE ARG 55 -5.223 -39.573 -5.930 1.00 41.00 ATOM 904 CZ ARG 55 -5.877 -37.689 -5.833 1.00 34.00 ATOM 905 NH1 ARG 55 -5.641 -36.467 -5.376 1.00 21.24 ATOM 906 HH11 ARG 55 -4.830 -36.256 -4.837 1.00 52.12 ATOM 907 HH12 ARG 55 -6.293 -35.732 -5.575 1.00 33.22 ATOM 908 NH2 ARG 55 -6.968 -37.924 -6.551 1.00 32.21 ATOM 909 HH21 ARG 55 -7.153 -38.845 -6.900 1.00 3.14 ATOM 910 HH22 ARG 55 -7.612 -37.182 -6.748 1.00 4.31 ATOM 911 C ARG 55 -0.458 -41.202 -3.747 1.00 34.15 ATOM 912 O ARG 55 -0.511 -41.337 -2.524 1.00 24.43 ATOM 913 N ILE 56 0.567 -40.630 -4.369 1.00 12.14 ATOM 914 HN ILE 56 0.561 -40.546 -5.350 1.00 37.59 ATOM 915 CA ILE 56 1.715 -40.115 -3.633 1.00 62.31 ATOM 916 HA ILE 56 1.578 -40.364 -2.591 1.00 75.30 ATOM 917 CB ILE 56 3.025 -40.779 -4.098 1.00 31.10 ATOM 918 HB ILE 56 3.182 -40.528 -5.139 1.00 62.13 ATOM 919 CG1 ILE 56 2.929 -42.300 -3.958 1.00 41.33 ATOM 920 HG11 ILE 56 1.998 -42.649 -4.384 1.00 37.59 ATOM 921 HG12 ILE 56 2.958 -42.573 -2.912 1.00 2.13 ATOM 922 CG2 ILE 56 4.203 -40.242 -3.300 1.00 44.40 ATOM 923 HG21 ILE 56 5.109 -40.707 -3.649 1.00 31.22 ATOM 924 HG22 ILE 56 4.075 -40.478 -2.257 1.00 33.22 ATOM 925 HG23 ILE 56 4.291 -39.174 -3.422 1.00 71.54 ATOM 926 CD1 ILE 56 4.044 -43.043 -4.661 1.00 11.51 ATOM 927 HD11 ILE 56 4.998 -42.660 -4.349 1.00 33.11 ATOM 928 HD12 ILE 56 3.938 -42.918 -5.728 1.00 30.03 ATOM 929 HD13 ILE 56 3.980 -44.093 -4.418 1.00 21.11 ATOM 930 C ILE 56 1.839 -38.604 -3.794 1.00 62.14 ATOM 931 O ILE 56 1.756 -38.064 -4.898 1.00 11.45 ATOM 932 N PRO 57 2.045 -37.904 -2.669 1.00 50.21 ATOM 933 CA PRO 57 2.188 -36.445 -2.660 1.00 14.15 ATOM 934 HA PRO 57 1.352 -35.965 -3.152 1.00 54.24 ATOM 935 CB PRO 57 2.172 -36.097 -1.169 1.00 41.30 ATOM 936 HB1 PRO 57 1.163 -35.861 -0.883 1.00 37.59 ATOM 937 HB2 PRO 57 2.816 -35.250 -0.961 1.00 31.01 ATOM 938 CG PRO 57 2.649 -37.332 -0.487 1.00 30.15 ATOM 939 HG1 PRO 57 2.235 -37.385 0.509 1.00 37.59 ATOM 940 HG2 PRO 57 3.728 -37.335 -0.446 1.00 25.54 ATOM 941 CD PRO 57 2.155 -38.482 -1.319 1.00 71.45 ATOM 942 HD1 PRO 57 1.192 -38.810 -0.972 1.00 37.59 ATOM 943 HD2 PRO 57 2.857 -39.283 -1.278 1.00 62.13 ATOM 944 C PRO 57 3.493 -35.986 -3.300 1.00 51.23 ATOM 945 O PRO 57 4.495 -36.701 -3.269 1.00 42.55 ATOM 946 N ILE 58 3.474 -34.790 -3.879 1.00 72.04 ATOM 947 HN ILE 58 2.646 -34.258 -3.878 1.00 37.59 ATOM 948 CA ILE 58 4.657 -34.236 -4.526 1.00 10.12 ATOM 949 HA ILE 58 5.483 -34.930 -4.412 1.00 20.52 ATOM 950 CB ILE 58 4.424 -34.015 -6.032 1.00 41.20 ATOM 951 HB ILE 58 3.611 -33.327 -6.145 1.00 15.51 ATOM 952 CG1 ILE 58 4.053 -35.334 -6.712 1.00 65.41 ATOM 953 HG11 ILE 58 3.924 -35.166 -7.766 1.00 37.59 ATOM 954 HG12 ILE 58 3.129 -35.706 -6.295 1.00 4.33 ATOM 955 CG2 ILE 58 5.663 -33.410 -6.676 1.00 75.13 ATOM 956 HG21 ILE 58 6.536 -33.983 -6.410 1.00 23.13 ATOM 957 HG22 ILE 58 5.790 -32.391 -6.345 1.00 11.00 ATOM 958 HG23 ILE 58 5.552 -33.413 -7.753 1.00 31.43 ATOM 959 CD1 ILE 58 5.103 -36.412 -6.552 1.00 73.20 ATOM 960 HD11 ILE 58 6.077 -36.038 -6.826 1.00 22.32 ATOM 961 HD12 ILE 58 4.853 -37.242 -7.196 1.00 64.03 ATOM 962 HD13 ILE 58 5.119 -36.753 -5.536 1.00 33.53 ATOM 963 C ILE 58 5.064 -32.913 -3.886 1.00 40.11 ATOM 964 O ILE 58 4.347 -31.918 -3.984 1.00 54.23 ATOM 965 N MET 59 6.221 -32.909 -3.232 1.00 61.33 ATOM 966 HN MET 59 6.762 -33.730 -3.185 1.00 37.59 ATOM 967 CA MET 59 6.725 -31.707 -2.579 1.00 24.01 ATOM 968 HA MET 59 5.981 -30.921 -2.663 1.00 33.42 ATOM 969 CB MET 59 6.973 -31.974 -1.093 1.00 42.00 ATOM 970 HB1 MET 59 7.795 -32.672 -0.997 1.00 37.59 ATOM 971 HB2 MET 59 6.089 -32.434 -0.671 1.00 4.20 ATOM 972 CG MET 59 7.324 -30.725 -0.301 1.00 52.43 ATOM 973 HG1 MET 59 7.792 -29.991 -0.936 1.00 37.59 ATOM 974 HG2 MET 59 8.026 -31.005 0.470 1.00 1.33 ATOM 975 SD MET 59 5.883 -29.966 0.473 1.00 20.13 ATOM 976 CE MET 59 6.135 -30.431 2.185 1.00 74.24 ATOM 977 HE1 MET 59 6.159 -31.508 2.266 1.00 33.03 ATOM 978 HE2 MET 59 5.327 -30.043 2.786 1.00 63.52 ATOM 979 HE3 MET 59 7.072 -30.023 2.535 1.00 13.40 ATOM 980 C MET 59 8.012 -31.227 -3.243 1.00 1.34 ATOM 981 O MET 59 8.874 -32.029 -3.599 1.00 64.03 ATOM 982 N ALA 60 8.134 -29.913 -3.405 1.00 62.44 ATOM 983 HN ALA 60 7.416 -29.312 -3.102 1.00 37.59 ATOM 984 CA ALA 60 9.316 -29.327 -4.025 1.00 3.14 ATOM 985 HA ALA 60 9.171 -28.258 -4.074 1.00 74.24 ATOM 986 CB ALA 60 10.548 -29.599 -3.173 1.00 52.25 ATOM 987 HB1 ALA 60 10.346 -29.302 -2.159 1.00 71.01 ATOM 988 HB2 ALA 60 11.379 -29.031 -3.558 1.00 51.33 ATOM 989 HB3 ALA 60 10.794 -30.648 -3.194 1.00 22.45 ATOM 990 C ALA 60 9.519 -29.863 -5.438 1.00 12.22 ATOM 991 O ALA 60 10.650 -30.042 -5.889 1.00 62.01 ATOM 992 N LYS 61 8.415 -30.118 -6.133 1.00 3.05 ATOM 993 HN LYS 61 7.531 -29.945 -5.741 1.00 37.59 ATOM 994 CA LYS 61 8.471 -30.633 -7.495 1.00 74.24 ATOM 995 HA LYS 61 7.460 -30.700 -7.866 1.00 1.33 ATOM 996 CB LYS 61 9.269 -29.682 -8.390 1.00 23.50 ATOM 997 HB1 LYS 61 9.075 -29.930 -9.421 1.00 37.59 ATOM 998 HB2 LYS 61 10.327 -29.811 -8.203 1.00 43.34 ATOM 999 CG LYS 61 8.937 -28.217 -8.169 1.00 43.13 ATOM 1000 HG1 LYS 61 9.590 -27.621 -8.787 1.00 37.59 ATOM 1001 HG2 LYS 61 9.106 -27.954 -7.140 1.00 0.50 ATOM 1002 CD LYS 61 7.490 -27.914 -8.519 1.00 70.14 ATOM 1003 HD1 LYS 61 7.259 -26.910 -8.195 1.00 37.59 ATOM 1004 HD2 LYS 61 6.856 -28.603 -8.012 1.00 74.11 ATOM 1005 CE LYS 61 7.247 -28.011 -10.018 1.00 10.23 ATOM 1006 HE1 LYS 61 6.235 -27.706 -10.213 1.00 37.59 ATOM 1007 HE2 LYS 61 7.385 -29.030 -10.340 1.00 12.42 ATOM 1008 NZ LYS 61 8.161 -27.121 -10.786 1.00 73.04 ATOM 1009 HZ1 LYS 61 8.582 -26.391 -10.179 1.00 62.40 ATOM 1010 HZ2 LYS 61 7.639 -26.660 -11.555 1.00 13.42 ATOM 1011 HZ3 LYS 61 8.928 -27.686 -11.205 1.00 70.54 ATOM 1012 C LYS 61 9.097 -32.024 -7.526 1.00 52.34 ATOM 1013 O LYS 61 9.565 -32.480 -8.569 1.00 55.23 ATOM 1014 N GLN 62 9.101 -32.692 -6.377 1.00 55.15 ATOM 1015 HN GLN 62 8.679 -32.315 -5.584 1.00 37.59 ATOM 1016 CA GLN 62 9.669 -34.031 -6.275 1.00 12.32 ATOM 1017 HA GLN 62 9.655 -34.495 -7.256 1.00 65.13 ATOM 1018 CB GLN 62 11.118 -33.957 -5.791 1.00 41.11 ATOM 1019 HB1 GLN 62 11.659 -33.265 -6.419 1.00 37.59 ATOM 1020 HB2 GLN 62 11.562 -34.939 -5.888 1.00 1.32 ATOM 1021 CG GLN 62 11.255 -33.499 -4.348 1.00 43.32 ATOM 1022 HG1 GLN 62 10.557 -34.025 -3.715 1.00 37.59 ATOM 1023 HG2 GLN 62 11.046 -32.446 -4.314 1.00 2.25 ATOM 1024 CD GLN 62 12.653 -33.707 -3.800 1.00 44.22 ATOM 1025 OE1 GLN 62 13.551 -32.898 -4.035 1.00 45.21 ATOM 1026 NE2 GLN 62 12.845 -34.796 -3.065 1.00 3.32 ATOM 1027 HE21 GLN 62 12.091 -35.409 -2.910 1.00 73.24 ATOM 1028 HE22 GLN 62 13.742 -34.948 -2.702 1.00 22.42 ATOM 1029 C GLN 62 8.848 -34.899 -5.327 1.00 72.45 ATOM 1030 O GLN 62 8.206 -34.396 -4.406 1.00 11.54 ATOM 1031 N VAL 63 8.872 -36.208 -5.561 1.00 4.21 ATOM 1032 HN VAL 63 9.375 -36.537 -6.339 1.00 37.59 ATOM 1033 CA VAL 63 8.131 -37.147 -4.728 1.00 30.10 ATOM 1034 HA VAL 63 7.091 -36.858 -4.744 1.00 34.35 ATOM 1035 CB VAL 63 8.238 -38.584 -5.271 1.00 23.51 ATOM 1036 HB VAL 63 7.778 -38.614 -6.248 1.00 23.03 ATOM 1037 CG1 VAL 63 9.696 -38.992 -5.419 1.00 43.01 ATOM 1038 HG11 VAL 63 9.745 -39.993 -5.826 1.00 33.03 ATOM 1039 HG12 VAL 63 10.186 -38.981 -4.458 1.00 13.03 ATOM 1040 HG13 VAL 63 10.208 -38.321 -6.088 1.00 73.00 ATOM 1041 CG2 VAL 63 7.495 -39.553 -4.364 1.00 20.15 ATOM 1042 HG21 VAL 63 6.475 -39.228 -4.264 1.00 51.52 ATOM 1043 HG22 VAL 63 7.959 -39.593 -3.390 1.00 31.43 ATOM 1044 HG23 VAL 63 7.516 -40.528 -4.793 1.00 12.54 ATOM 1045 C VAL 63 8.633 -37.120 -3.289 1.00 22.32 ATOM 1046 O VAL 63 9.835 -37.017 -3.041 1.00 3.32 ATOM 1047 N LEU 64 7.706 -37.215 -2.343 1.00 14.44 ATOM 1048 HN LEU 64 6.758 -37.311 -2.603 1.00 37.59 ATOM 1049 CA LEU 64 8.054 -37.202 -0.926 1.00 14.10 ATOM 1050 HA LEU 64 8.866 -36.501 -0.798 1.00 64.11 ATOM 1051 CB LEU 64 6.858 -36.740 -0.091 1.00 21.00 ATOM 1052 HB1 LEU 64 6.115 -37.530 -0.087 1.00 37.59 ATOM 1053 HB2 LEU 64 6.426 -35.877 -0.584 1.00 52.41 ATOM 1054 CG LEU 64 7.160 -36.356 1.358 1.00 34.52 ATOM 1055 HG LEU 64 7.542 -37.222 1.876 1.00 3.42 ATOM 1056 CD1 LEU 64 8.222 -35.270 1.413 1.00 63.13 ATOM 1057 HD11 LEU 64 7.926 -34.433 0.794 1.00 71.31 ATOM 1058 HD12 LEU 64 9.163 -35.663 1.063 1.00 54.45 ATOM 1059 HD13 LEU 64 8.344 -34.931 2.434 1.00 51.00 ATOM 1060 CD2 LEU 64 5.891 -35.900 2.064 1.00 20.10 ATOM 1061 HD21 LEU 64 6.119 -35.630 3.085 1.00 4.33 ATOM 1062 HD22 LEU 64 5.167 -36.703 2.062 1.00 43.21 ATOM 1063 HD23 LEU 64 5.476 -35.042 1.551 1.00 11.25 ATOM 1064 C LEU 64 8.508 -38.583 -0.464 1.00 74.14 ATOM 1065 O LEU 64 7.688 -39.474 -0.241 1.00 61.32 ATOM 1066 N ASP 65 9.817 -38.752 -0.321 1.00 64.34 ATOM 1067 HN ASP 65 10.425 -37.999 -0.518 1.00 37.59 ATOM 1068 CA ASP 65 10.381 -40.024 0.117 1.00 13.12 ATOM 1069 HA ASP 65 10.125 -40.767 -0.623 1.00 10.22 ATOM 1070 CB ASP 65 11.903 -39.924 0.219 1.00 4.51 ATOM 1071 HB1 ASP 65 12.288 -40.835 0.648 1.00 37.59 ATOM 1072 HB2 ASP 65 12.165 -39.091 0.853 1.00 61.32 ATOM 1073 CG ASP 65 12.562 -39.728 -1.132 1.00 65.32 ATOM 1074 OD1 ASP 65 13.783 -39.970 -1.238 1.00 23.41 ATOM 1075 OD2 ASP 65 11.857 -39.334 -2.084 1.00 63.33 ATOM 1076 C ASP 65 9.795 -40.443 1.462 1.00 10.31 ATOM 1077 O ASP 65 10.185 -39.925 2.509 1.00 11.25 ATOM 1078 N LEU 66 8.856 -41.382 1.426 1.00 63.00 ATOM 1079 HN LEU 66 8.590 -41.762 0.561 1.00 37.59 ATOM 1080 CA LEU 66 8.215 -41.870 2.642 1.00 23.21 ATOM 1081 HA LEU 66 7.809 -41.025 3.174 1.00 44.24 ATOM 1082 CB LEU 66 7.087 -42.842 2.292 1.00 14.34 ATOM 1083 HB1 LEU 66 6.710 -43.270 3.215 1.00 37.59 ATOM 1084 HB2 LEU 66 7.506 -43.639 1.694 1.00 31.23 ATOM 1085 CG LEU 66 5.902 -42.248 1.529 1.00 45.13 ATOM 1086 HG LEU 66 6.233 -41.941 0.547 1.00 24.10 ATOM 1087 CD1 LEU 66 4.807 -43.287 1.351 1.00 73.42 ATOM 1088 HD11 LEU 66 5.199 -44.138 0.812 1.00 22.32 ATOM 1089 HD12 LEU 66 3.988 -42.859 0.789 1.00 13.44 ATOM 1090 HD13 LEU 66 4.448 -43.610 2.319 1.00 23.00 ATOM 1091 CD2 LEU 66 5.364 -41.021 2.250 1.00 40.21 ATOM 1092 HD21 LEU 66 5.145 -41.265 3.281 1.00 32.21 ATOM 1093 HD22 LEU 66 4.457 -40.682 1.765 1.00 54.15 ATOM 1094 HD23 LEU 66 6.094 -40.228 2.215 1.00 42.22 ATOM 1095 C LEU 66 9.228 -42.556 3.554 1.00 72.13 ATOM 1096 O LEU 66 9.235 -42.339 4.765 1.00 2.45 ATOM 1097 N PHE 67 10.083 -43.384 2.962 1.00 10.15 ATOM 1098 HN PHE 67 10.022 -43.530 1.988 1.00 37.59 ATOM 1099 CA PHE 67 11.101 -44.101 3.721 1.00 43.10 ATOM 1100 HA PHE 67 10.593 -44.773 4.401 1.00 62.33 ATOM 1101 CB PHE 67 11.990 -44.916 2.779 1.00 41.52 ATOM 1102 HB1 PHE 67 12.651 -44.249 2.238 1.00 37.59 ATOM 1103 HB2 PHE 67 11.358 -45.428 2.063 1.00 53.13 ATOM 1104 CG PHE 67 12.833 -45.938 3.485 1.00 23.30 ATOM 1105 CD1 PHE 67 12.575 -47.291 3.335 1.00 64.43 ATOM 1106 HD1 PHE 67 11.759 -47.613 2.703 1.00 2.54 ATOM 1107 CD2 PHE 67 13.884 -45.547 4.299 1.00 41.22 ATOM 1108 HD2 PHE 67 14.112 -44.501 4.422 1.00 3.33 ATOM 1109 CE1 PHE 67 13.349 -48.234 3.984 1.00 24.41 ATOM 1110 HE1 PHE 67 13.141 -49.285 3.858 1.00 14.03 ATOM 1111 CE2 PHE 67 14.662 -46.485 4.950 1.00 31.45 ATOM 1112 HE2 PHE 67 15.479 -46.166 5.581 1.00 22.33 ATOM 1113 CZ PHE 67 14.395 -47.831 4.792 1.00 74.10 ATOM 1114 HZ PHE 67 15.001 -48.566 5.300 1.00 45.04 ATOM 1115 C PHE 67 11.956 -43.133 4.534 1.00 32.13 ATOM 1116 O PHE 67 12.157 -43.324 5.733 1.00 4.43 ATOM 1117 N MET 68 12.456 -42.095 3.872 1.00 13.34 ATOM 1118 HN MET 68 12.230 -41.984 2.920 1.00 37.59 ATOM 1119 CA MET 68 13.288 -41.096 4.534 1.00 60.34 ATOM 1120 HA MET 68 14.093 -41.606 5.039 1.00 42.44 ATOM 1121 CB MET 68 13.868 -40.123 3.506 1.00 52.23 ATOM 1122 HB1 MET 68 14.553 -39.447 3.990 1.00 37.59 ATOM 1123 HB2 MET 68 13.049 -39.558 3.087 1.00 2.21 ATOM 1124 CG MET 68 14.577 -40.810 2.350 1.00 31.21 ATOM 1125 HG1 MET 68 15.023 -40.055 1.720 1.00 37.59 ATOM 1126 HG2 MET 68 13.862 -41.373 1.781 1.00 55.22 ATOM 1127 SD MET 68 15.873 -41.936 2.902 1.00 72.24 ATOM 1128 CE MET 68 16.719 -40.915 4.105 1.00 1.12 ATOM 1129 HE1 MET 68 16.105 -40.804 4.985 1.00 30.30 ATOM 1130 HE2 MET 68 16.913 -39.942 3.678 1.00 14.21 ATOM 1131 HE3 MET 68 17.655 -41.381 4.377 1.00 5.43 ATOM 1132 C MET 68 12.488 -40.330 5.582 1.00 2.03 ATOM 1133 O MET 68 12.923 -40.184 6.725 1.00 23.45 ATOM 1134 N LEU 69 11.318 -39.842 5.187 1.00 51.32 ATOM 1135 HN LEU 69 11.029 -39.986 4.254 1.00 37.59 ATOM 1136 CA LEU 69 10.457 -39.090 6.093 1.00 10.51 ATOM 1137 HA LEU 69 10.967 -38.174 6.338 1.00 74.41 ATOM 1138 CB LEU 69 9.119 -38.782 5.419 1.00 13.11 ATOM 1139 HB1 LEU 69 8.376 -39.484 5.782 1.00 37.59 ATOM 1140 HB2 LEU 69 9.219 -38.936 4.358 1.00 72.40 ATOM 1141 CG LEU 69 8.572 -37.369 5.627 1.00 34.20 ATOM 1142 HG LEU 69 8.521 -37.162 6.686 1.00 23.32 ATOM 1143 CD1 LEU 69 9.495 -36.341 4.993 1.00 52.51 ATOM 1144 HD11 LEU 69 10.495 -36.438 5.383 1.00 13.05 ATOM 1145 HD12 LEU 69 9.128 -35.348 5.212 1.00 72.30 ATOM 1146 HD13 LEU 69 9.508 -36.485 3.925 1.00 70.14 ATOM 1147 CD2 LEU 69 7.166 -37.252 5.055 1.00 64.01 ATOM 1148 HD21 LEU 69 6.537 -38.034 5.444 1.00 24.20 ATOM 1149 HD22 LEU 69 7.207 -37.341 3.983 1.00 20.34 ATOM 1150 HD23 LEU 69 6.748 -36.292 5.320 1.00 44.45 ATOM 1151 C LEU 69 10.222 -39.862 7.387 1.00 11.13 ATOM 1152 O LEU 69 10.327 -39.307 8.481 1.00 14.32 ATOM 1153 N TYR 70 9.906 -41.145 7.255 1.00 72.21 ATOM 1154 HN TYR 70 9.834 -41.536 6.351 1.00 37.59 ATOM 1155 CA TYR 70 9.656 -41.994 8.414 1.00 73.23 ATOM 1156 HA TYR 70 8.892 -41.531 9.019 1.00 5.53 ATOM 1157 CB TYR 70 9.159 -43.370 7.966 1.00 21.15 ATOM 1158 HB1 TYR 70 9.809 -43.738 7.182 1.00 37.59 ATOM 1159 HB2 TYR 70 8.162 -43.277 7.572 1.00 73.30 ATOM 1160 CG TYR 70 9.134 -44.395 9.078 1.00 60.35 ATOM 1161 CD1 TYR 70 7.991 -44.591 9.843 1.00 0.32 ATOM 1162 HD1 TYR 70 7.109 -43.999 9.638 1.00 22.45 ATOM 1163 CD2 TYR 70 10.253 -45.168 9.362 1.00 1.24 ATOM 1164 HD2 TYR 70 11.153 -45.031 8.778 1.00 10.33 ATOM 1165 CE1 TYR 70 7.964 -45.526 10.860 1.00 55.31 ATOM 1166 HE1 TYR 70 7.070 -45.677 11.426 1.00 34.42 ATOM 1167 CE2 TYR 70 10.234 -46.106 10.376 1.00 22.10 ATOM 1168 HE2 TYR 70 11.114 -46.697 10.581 1.00 62.42 ATOM 1169 CZ TYR 70 9.087 -46.281 11.122 1.00 23.20 ATOM 1170 OH TYR 70 9.065 -47.214 12.134 1.00 51.14 ATOM 1171 HH TYR 70 8.538 -47.973 11.867 1.00 62.22 ATOM 1172 C TYR 70 10.916 -42.146 9.260 1.00 62.33 ATOM 1173 O TYR 70 10.905 -41.889 10.464 1.00 50.04 ATOM 1174 N VAL 71 12.003 -42.566 8.620 1.00 22.31 ATOM 1175 HN VAL 71 11.951 -42.729 7.649 1.00 37.59 ATOM 1176 CA VAL 71 13.273 -42.752 9.312 1.00 43.44 ATOM 1177 HA VAL 71 13.148 -43.547 10.036 1.00 13.33 ATOM 1178 CB VAL 71 14.392 -43.156 8.333 1.00 54.24 ATOM 1179 HB VAL 71 14.490 -42.381 7.585 1.00 63.41 ATOM 1180 CG1 VAL 71 15.720 -43.283 9.062 1.00 21.23 ATOM 1181 HG11 VAL 71 16.458 -43.722 8.401 1.00 24.02 ATOM 1182 HG12 VAL 71 15.605 -43.915 9.932 1.00 51.23 ATOM 1183 HG13 VAL 71 16.066 -42.307 9.369 1.00 23.25 ATOM 1184 CG2 VAL 71 14.036 -44.455 7.625 1.00 51.40 ATOM 1185 HG21 VAL 71 12.978 -44.534 7.451 1.00 31.22 ATOM 1186 HG22 VAL 71 14.352 -45.302 8.221 1.00 43.54 ATOM 1187 HG23 VAL 71 14.552 -44.475 6.685 1.00 33.54 ATOM 1188 C VAL 71 13.690 -41.482 10.046 1.00 72.04 ATOM 1189 O VAL 71 14.195 -41.538 11.168 1.00 42.34 ATOM 1190 N LEU 72 13.474 -40.338 9.406 1.00 43.11 ATOM 1191 HN LEU 72 13.068 -40.354 8.509 1.00 37.59 ATOM 1192 CA LEU 72 13.827 -39.052 9.998 1.00 33.11 ATOM 1193 HA LEU 72 14.828 -39.134 10.391 1.00 63.04 ATOM 1194 CB LEU 72 13.772 -37.949 8.940 1.00 41.21 ATOM 1195 HB1 LEU 72 13.404 -37.055 9.395 1.00 37.59 ATOM 1196 HB2 LEU 72 13.071 -38.232 8.170 1.00 62.22 ATOM 1197 CG LEU 72 15.100 -37.595 8.269 1.00 21.54 ATOM 1198 HG LEU 72 14.928 -36.826 7.529 1.00 72.20 ATOM 1199 CD1 LEU 72 16.086 -37.051 9.291 1.00 12.15 ATOM 1200 HD11 LEU 72 15.646 -36.209 9.810 1.00 42.03 ATOM 1201 HD12 LEU 72 16.982 -36.723 8.784 1.00 10.22 ATOM 1202 HD13 LEU 72 16.344 -37.817 10.005 1.00 0.32 ATOM 1203 CD2 LEU 72 15.680 -38.811 7.561 1.00 21.24 ATOM 1204 HD21 LEU 72 15.008 -39.130 6.783 1.00 21.51 ATOM 1205 HD22 LEU 72 15.828 -39.617 8.265 1.00 54.31 ATOM 1206 HD23 LEU 72 16.632 -38.550 7.117 1.00 0.41 ATOM 1207 C LEU 72 12.892 -38.710 11.154 1.00 21.51 ATOM 1208 O LEU 72 13.336 -38.492 12.281 1.00 32.05 ATOM 1209 N VAL 73 11.595 -38.668 10.867 1.00 71.12 ATOM 1210 HN VAL 73 11.302 -38.859 9.946 1.00 37.59 ATOM 1211 CA VAL 73 10.597 -38.357 11.883 1.00 54.41 ATOM 1212 HA VAL 73 10.739 -37.328 12.189 1.00 52.14 ATOM 1213 CB VAL 73 9.167 -38.511 11.331 1.00 30.51 ATOM 1214 HB VAL 73 9.071 -39.500 10.907 1.00 44.53 ATOM 1215 CG1 VAL 73 8.145 -38.372 12.449 1.00 10.11 ATOM 1216 HG11 VAL 73 8.115 -39.284 13.027 1.00 3.21 ATOM 1217 HG12 VAL 73 7.162 -38.197 12.030 1.00 64.40 ATOM 1218 HG13 VAL 73 8.402 -37.552 13.095 1.00 55.50 ATOM 1219 CG2 VAL 73 8.908 -37.494 10.231 1.00 51.24 ATOM 1220 HG21 VAL 73 9.704 -37.501 9.510 1.00 2.32 ATOM 1221 HG22 VAL 73 8.844 -36.505 10.664 1.00 33.53 ATOM 1222 HG23 VAL 73 7.980 -37.720 9.741 1.00 11.54 ATOM 1223 C VAL 73 10.758 -39.254 13.105 1.00 50.40 ATOM 1224 O VAL 73 10.570 -38.816 14.240 1.00 11.55 ATOM 1225 N THR 74 11.108 -40.514 12.865 1.00 4.45 ATOM 1226 HN THR 74 11.239 -40.816 11.937 1.00 37.59 ATOM 1227 CA THR 74 11.295 -41.474 13.946 1.00 52.40 ATOM 1228 HA THR 74 10.443 -41.408 14.616 1.00 10.23 ATOM 1229 CB THR 74 11.376 -42.915 13.409 1.00 64.01 ATOM 1230 HB THR 74 11.612 -43.585 14.228 1.00 25.42 ATOM 1231 OG1 THR 74 12.402 -43.010 12.414 1.00 55.44 ATOM 1232 HG1 THR 74 13.223 -43.299 12.821 1.00 53.20 ATOM 1233 CG2 THR 74 10.044 -43.347 12.815 1.00 24.40 ATOM 1234 HG21 THR 74 9.444 -43.813 13.582 1.00 23.31 ATOM 1235 HG22 THR 74 10.225 -44.048 12.030 1.00 54.03 ATOM 1236 HG23 THR 74 9.510 -42.496 12.411 1.00 12.33 ATOM 1237 C THR 74 12.559 -41.168 14.742 1.00 54.55 ATOM 1238 O THR 74 12.519 -41.054 15.966 1.00 1.41 ATOM 1239 N GLU 75 13.678 -41.035 14.037 1.00 3.12 ATOM 1240 HN GLU 75 13.643 -41.134 13.055 1.00 37.59 ATOM 1241 CA GLU 75 14.954 -40.742 14.680 1.00 50.22 ATOM 1242 HA GLU 75 15.182 -41.553 15.358 1.00 61.11 ATOM 1243 CB GLU 75 16.067 -40.646 13.634 1.00 11.21 ATOM 1244 HB1 GLU 75 15.810 -41.254 12.785 1.00 37.59 ATOM 1245 HB2 GLU 75 16.976 -41.046 14.060 1.00 54.54 ATOM 1246 CG GLU 75 16.318 -39.231 13.141 1.00 4.32 ATOM 1247 HG1 GLU 75 15.414 -38.658 13.127 1.00 37.59 ATOM 1248 HG2 GLU 75 16.696 -39.298 12.131 1.00 33.12 ATOM 1249 CD GLU 75 17.356 -38.500 13.971 1.00 52.40 ATOM 1250 OE1 GLU 75 17.681 -37.343 13.631 1.00 13.10 ATOM 1251 OE2 GLU 75 17.843 -39.085 14.961 1.00 34.01 ATOM 1252 C GLU 75 14.876 -39.443 15.476 1.00 1.45 ATOM 1253 O GLU 75 15.670 -39.211 16.388 1.00 24.12 ATOM 1254 N LYS 76 13.913 -38.597 15.125 1.00 21.13 ATOM 1255 HN LYS 76 13.337 -38.793 14.355 1.00 37.59 ATOM 1256 CA LYS 76 13.729 -37.321 15.806 1.00 31.02 ATOM 1257 HA LYS 76 14.703 -36.930 16.070 1.00 4.41 ATOM 1258 CB LYS 76 13.013 -36.328 14.888 1.00 75.32 ATOM 1259 HB1 LYS 76 12.646 -35.492 15.473 1.00 37.59 ATOM 1260 HB2 LYS 76 12.171 -36.824 14.427 1.00 55.42 ATOM 1261 CG LYS 76 13.896 -35.775 13.784 1.00 42.55 ATOM 1262 HG1 LYS 76 13.301 -35.114 13.176 1.00 37.59 ATOM 1263 HG2 LYS 76 14.266 -36.587 13.184 1.00 55.21 ATOM 1264 CD LYS 76 15.082 -35.011 14.348 1.00 2.15 ATOM 1265 HD1 LYS 76 15.865 -35.722 14.567 1.00 37.59 ATOM 1266 HD2 LYS 76 14.811 -34.505 15.256 1.00 11.52 ATOM 1267 CE LYS 76 15.624 -34.003 13.347 1.00 45.03 ATOM 1268 HE1 LYS 76 14.872 -33.262 13.140 1.00 37.59 ATOM 1269 HE2 LYS 76 15.870 -34.523 12.430 1.00 41.22 ATOM 1270 NZ LYS 76 16.855 -33.330 13.848 1.00 61.44 ATOM 1271 HZ1 LYS 76 17.231 -32.692 13.120 1.00 10.43 ATOM 1272 HZ2 LYS 76 17.586 -34.036 14.077 1.00 33.54 ATOM 1273 HZ3 LYS 76 16.645 -32.777 14.703 1.00 52.40 ATOM 1274 C LYS 76 12.934 -37.502 17.095 1.00 10.03 ATOM 1275 O LYS 76 13.022 -36.684 18.010 1.00 21.33 ATOM 1276 N GLY 77 12.158 -38.580 17.161 1.00 64.10 ATOM 1277 HN GLY 77 12.097 -39.193 16.406 1.00 37.59 ATOM 1278 CA GLY 77 11.361 -38.849 18.343 1.00 74.11 ATOM 1279 HA1 GLY 77 11.303 -37.969 18.972 1.00 37.59 ATOM 1280 HA2 GLY 77 11.835 -39.640 18.904 1.00 10.12 ATOM 1281 C GLY 77 9.948 -39.281 18.003 1.00 51.21 ATOM 1282 O GLY 77 9.307 -39.995 18.773 1.00 10.51 ATOM 1283 N GLY 78 9.460 -38.845 16.845 1.00 32.13 ATOM 1284 HN GLY 78 10.004 -38.271 16.260 1.00 37.59 ATOM 1285 CA GLY 78 8.116 -39.199 16.426 1.00 23.52 ATOM 1286 HA1 GLY 78 7.533 -39.543 17.273 1.00 37.59 ATOM 1287 HA2 GLY 78 8.181 -40.000 15.705 1.00 51.44 ATOM 1288 C GLY 78 7.382 -38.036 15.789 1.00 31.44 ATOM 1289 O GLY 78 7.806 -36.886 15.906 1.00 13.23 ATOM 1290 N LEU 79 6.279 -38.335 15.112 1.00 33.03 ATOM 1291 HN LEU 79 5.992 -39.278 15.050 1.00 37.59 ATOM 1292 CA LEU 79 5.484 -37.305 14.452 1.00 33.23 ATOM 1293 HA LEU 79 6.075 -36.904 13.642 1.00 13.02 ATOM 1294 CB LEU 79 4.199 -37.911 13.884 1.00 42.21 ATOM 1295 HB1 LEU 79 3.678 -38.414 14.687 1.00 37.59 ATOM 1296 HB2 LEU 79 4.491 -38.640 13.158 1.00 21.14 ATOM 1297 CG LEU 79 3.232 -36.931 13.219 1.00 41.32 ATOM 1298 HG LEU 79 2.839 -36.270 13.968 1.00 31.24 ATOM 1299 CD1 LEU 79 3.954 -36.097 12.171 1.00 15.13 ATOM 1300 HD11 LEU 79 4.517 -35.321 12.669 1.00 34.13 ATOM 1301 HD12 LEU 79 3.241 -35.637 11.499 1.00 45.01 ATOM 1302 HD13 LEU 79 4.634 -36.711 11.606 1.00 40.20 ATOM 1303 CD2 LEU 79 2.061 -37.677 12.596 1.00 43.33 ATOM 1304 HD21 LEU 79 2.413 -38.369 11.853 1.00 43.50 ATOM 1305 HD22 LEU 79 1.388 -36.970 12.140 1.00 42.21 ATOM 1306 HD23 LEU 79 1.531 -38.220 13.367 1.00 20.43 ATOM 1307 C LEU 79 5.143 -36.177 15.420 1.00 15.13 ATOM 1308 O LEU 79 5.424 -35.009 15.153 1.00 50.43 ATOM 1309 N VAL 80 4.536 -36.534 16.548 1.00 61.51 ATOM 1310 HN VAL 80 4.362 -37.490 16.711 1.00 37.59 ATOM 1311 CA VAL 80 4.159 -35.553 17.558 1.00 45.20 ATOM 1312 HA VAL 80 3.430 -34.885 17.127 1.00 61.02 ATOM 1313 CB VAL 80 3.527 -36.229 18.789 1.00 11.41 ATOM 1314 HB VAL 80 4.250 -36.908 19.215 1.00 23.24 ATOM 1315 CG1 VAL 80 3.172 -35.192 19.844 1.00 1.01 ATOM 1316 HG11 VAL 80 2.431 -35.585 20.524 1.00 24.13 ATOM 1317 HG12 VAL 80 2.774 -34.302 19.372 1.00 20.34 ATOM 1318 HG13 VAL 80 4.059 -34.932 20.403 1.00 22.44 ATOM 1319 CG2 VAL 80 2.300 -37.031 18.384 1.00 14.10 ATOM 1320 HG21 VAL 80 2.587 -37.835 17.726 1.00 10.53 ATOM 1321 HG22 VAL 80 1.611 -36.388 17.883 1.00 42.32 ATOM 1322 HG23 VAL 80 1.823 -37.440 19.257 1.00 33.40 ATOM 1323 C VAL 80 5.365 -34.734 18.005 1.00 42.21 ATOM 1324 O VAL 80 5.323 -33.504 18.014 1.00 20.12 ATOM 1325 N GLU 81 6.439 -35.425 18.374 1.00 1.13 ATOM 1326 HN GLU 81 6.411 -36.412 18.347 1.00 37.59 ATOM 1327 CA GLU 81 7.657 -34.760 18.823 1.00 62.42 ATOM 1328 HA GLU 81 7.425 -34.218 19.730 1.00 30.02 ATOM 1329 CB GLU 81 8.746 -35.792 19.124 1.00 21.22 ATOM 1330 HB1 GLU 81 9.059 -36.253 18.196 1.00 37.59 ATOM 1331 HB2 GLU 81 8.325 -36.561 19.759 1.00 12.21 ATOM 1332 CG GLU 81 9.975 -35.202 19.796 1.00 74.02 ATOM 1333 HG1 GLU 81 10.003 -34.136 19.655 1.00 37.59 ATOM 1334 HG2 GLU 81 10.853 -35.639 19.346 1.00 70.33 ATOM 1335 CD GLU 81 10.017 -35.484 21.285 1.00 24.11 ATOM 1336 OE1 GLU 81 9.683 -34.574 22.072 1.00 74.12 ATOM 1337 OE2 GLU 81 10.386 -36.616 21.664 1.00 52.15 ATOM 1338 C GLU 81 8.155 -33.771 17.773 1.00 2.12 ATOM 1339 O GLU 81 8.708 -32.722 18.105 1.00 23.42 ATOM 1340 N VAL 82 7.955 -34.113 16.504 1.00 4.32 ATOM 1341 HN VAL 82 7.520 -34.971 16.290 1.00 37.59 ATOM 1342 CA VAL 82 8.383 -33.256 15.405 1.00 0.51 ATOM 1343 HA VAL 82 9.385 -32.920 15.616 1.00 31.23 ATOM 1344 CB VAL 82 8.396 -34.021 14.069 1.00 61.04 ATOM 1345 HB VAL 82 7.406 -34.407 13.883 1.00 20.02 ATOM 1346 CG1 VAL 82 8.763 -33.090 12.923 1.00 13.32 ATOM 1347 HG11 VAL 82 8.144 -33.338 12.072 1.00 75.33 ATOM 1348 HG12 VAL 82 9.797 -33.232 12.643 1.00 71.13 ATOM 1349 HG13 VAL 82 8.616 -32.056 13.162 1.00 24.04 ATOM 1350 CG2 VAL 82 9.358 -35.198 14.139 1.00 53.35 ATOM 1351 HG21 VAL 82 9.321 -35.747 13.213 1.00 30.50 ATOM 1352 HG22 VAL 82 9.101 -35.841 14.948 1.00 22.14 ATOM 1353 HG23 VAL 82 10.364 -34.831 14.289 1.00 64.12 ATOM 1354 C VAL 82 7.475 -32.038 15.272 1.00 31.21 ATOM 1355 O VAL 82 7.941 -30.929 15.013 1.00 45.42 ATOM 1356 N ILE 83 6.176 -32.254 15.452 1.00 41.42 ATOM 1357 HN ILE 83 5.858 -33.164 15.660 1.00 37.59 ATOM 1358 CA ILE 83 5.202 -31.173 15.353 1.00 24.35 ATOM 1359 HA ILE 83 5.350 -30.667 14.405 1.00 14.13 ATOM 1360 CB ILE 83 3.760 -31.711 15.393 1.00 54.41 ATOM 1361 HB ILE 83 3.619 -32.223 16.337 1.00 33.30 ATOM 1362 CG1 ILE 83 3.526 -32.691 14.242 1.00 54.25 ATOM 1363 HG11 ILE 83 4.418 -33.260 14.052 1.00 37.59 ATOM 1364 HG12 ILE 83 3.293 -32.150 13.353 1.00 4.44 ATOM 1365 CG2 ILE 83 2.765 -30.562 15.328 1.00 54.40 ATOM 1366 HG21 ILE 83 2.994 -29.923 14.485 1.00 43.52 ATOM 1367 HG22 ILE 83 2.805 -29.986 16.240 1.00 24.11 ATOM 1368 HG23 ILE 83 1.764 -30.956 15.211 1.00 11.33 ATOM 1369 CD1 ILE 83 2.419 -33.686 14.511 1.00 72.12 ATOM 1370 HD11 ILE 83 2.712 -34.344 15.307 1.00 34.13 ATOM 1371 HD12 ILE 83 2.230 -34.265 13.624 1.00 22.04 ATOM 1372 HD13 ILE 83 1.518 -33.160 14.793 1.00 72.35 ATOM 1373 C ILE 83 5.387 -30.162 16.480 1.00 64.31 ATOM 1374 O ILE 83 5.177 -28.965 16.293 1.00 1.32 ATOM 1375 N ASN 84 5.784 -30.654 17.649 1.00 0.44 ATOM 1376 HN ASN 84 5.936 -31.623 17.748 1.00 37.59 ATOM 1377 CA ASN 84 5.999 -29.793 18.807 1.00 41.42 ATOM 1378 HA ASN 84 5.257 -29.001 18.793 1.00 23.44 ATOM 1379 CB ASN 84 5.840 -30.593 20.101 1.00 74.22 ATOM 1380 HB1 ASN 84 6.117 -29.972 20.945 1.00 37.59 ATOM 1381 HB2 ASN 84 6.497 -31.450 20.064 1.00 10.11 ATOM 1382 CG ASN 84 4.415 -31.068 20.315 1.00 4.23 ATOM 1383 OD1 ASN 84 3.464 -30.301 20.165 1.00 43.32 ATOM 1384 ND2 ASN 84 4.262 -32.339 20.669 1.00 3.41 ATOM 1385 HD21 ASN 84 5.056 -32.910 20.774 1.00 65.25 ATOM 1386 HD22 ASN 84 3.349 -32.658 20.823 1.00 42.04 ATOM 1387 C ASN 84 7.383 -29.153 18.759 1.00 41.51 ATOM 1388 O ASN 84 7.553 -27.987 19.117 1.00 43.23 ATOM 1389 N LYS 85 8.370 -29.923 18.314 1.00 40.23 ATOM 1390 HN LYS 85 8.180 -30.854 18.049 1.00 37.59 ATOM 1391 CA LYS 85 9.740 -29.432 18.216 1.00 33.33 ATOM 1392 HA LYS 85 9.997 -28.948 19.152 1.00 64.40 ATOM 1393 CB LYS 85 10.704 -30.596 17.975 1.00 51.23 ATOM 1394 HB1 LYS 85 11.631 -30.213 17.560 1.00 37.59 ATOM 1395 HB2 LYS 85 10.263 -31.263 17.256 1.00 32.32 ATOM 1396 CG LYS 85 11.024 -31.391 19.229 1.00 73.14 ATOM 1397 HG1 LYS 85 10.927 -32.437 18.999 1.00 37.59 ATOM 1398 HG2 LYS 85 10.338 -31.135 20.026 1.00 13.12 ATOM 1399 CD LYS 85 12.448 -31.144 19.698 1.00 54.31 ATOM 1400 HD1 LYS 85 13.134 -31.395 18.901 1.00 37.59 ATOM 1401 HD2 LYS 85 12.644 -31.775 20.553 1.00 41.42 ATOM 1402 CE LYS 85 12.659 -29.691 20.095 1.00 11.30 ATOM 1403 HE1 LYS 85 11.740 -29.287 20.504 1.00 37.59 ATOM 1404 HE2 LYS 85 12.935 -29.129 19.216 1.00 54.42 ATOM 1405 NZ LYS 85 13.735 -29.545 21.115 1.00 74.24 ATOM 1406 HZ1 LYS 85 13.854 -28.542 21.363 1.00 14.22 ATOM 1407 HZ2 LYS 85 14.638 -29.905 20.743 1.00 21.44 ATOM 1408 HZ3 LYS 85 13.491 -30.076 21.977 1.00 64.31 ATOM 1409 C LYS 85 9.872 -28.407 17.095 1.00 60.25 ATOM 1410 O LYS 85 10.849 -27.660 17.034 1.00 71.31 ATOM 1411 N LYS 86 8.882 -28.376 16.208 1.00 5.44 ATOM 1412 HN LYS 86 8.145 -29.017 16.254 1.00 37.59 ATOM 1413 CA LYS 86 8.886 -27.440 15.090 1.00 61.43 ATOM 1414 HA LYS 86 8.080 -27.717 14.424 1.00 62.21 ATOM 1415 CB LYS 86 8.667 -26.012 15.592 1.00 3.50 ATOM 1416 HB1 LYS 86 9.038 -25.312 14.852 1.00 37.59 ATOM 1417 HB2 LYS 86 9.227 -25.856 16.502 1.00 32.33 ATOM 1418 CG LYS 86 7.207 -25.665 15.823 1.00 33.25 ATOM 1419 HG1 LYS 86 6.580 -26.281 15.190 1.00 37.59 ATOM 1420 HG2 LYS 86 7.065 -24.627 15.553 1.00 32.43 ATOM 1421 CD LYS 86 6.805 -25.881 17.273 1.00 5.51 ATOM 1422 HD1 LYS 86 7.685 -25.980 17.894 1.00 37.59 ATOM 1423 HD2 LYS 86 6.219 -26.785 17.339 1.00 24.04 ATOM 1424 CE LYS 86 5.971 -24.723 17.798 1.00 14.43 ATOM 1425 HE1 LYS 86 5.207 -25.125 18.448 1.00 37.59 ATOM 1426 HE2 LYS 86 5.495 -24.200 16.978 1.00 42.12 ATOM 1427 NZ LYS 86 6.792 -23.756 18.578 1.00 13.25 ATOM 1428 HZ1 LYS 86 6.193 -22.978 18.921 1.00 71.22 ATOM 1429 HZ2 LYS 86 7.546 -23.357 17.981 1.00 11.32 ATOM 1430 HZ3 LYS 86 7.227 -24.229 19.398 1.00 1.34 ATOM 1431 C LYS 86 10.198 -27.523 14.316 1.00 71.23 ATOM 1432 O LYS 86 10.634 -26.545 13.707 1.00 24.13 ATOM 1433 N LEU 87 10.822 -28.696 14.341 1.00 14.23 ATOM 1434 HN LEU 87 10.403 -29.448 14.787 1.00 37.59 ATOM 1435 CA LEU 87 12.083 -28.907 13.640 1.00 5.43 ATOM 1436 HA LEU 87 12.594 -27.957 13.539 1.00 20.30 ATOM 1437 CB LEU 87 12.982 -29.851 14.441 1.00 45.25 ATOM 1438 HB1 LEU 87 12.837 -29.643 15.494 1.00 37.59 ATOM 1439 HB2 LEU 87 14.008 -29.621 14.190 1.00 0.42 ATOM 1440 CG LEU 87 12.762 -31.346 14.207 1.00 10.23 ATOM 1441 HG LEU 87 13.081 -31.618 13.217 1.00 43.24 ATOM 1442 CD1 LEU 87 13.599 -32.166 15.176 1.00 23.41 ATOM 1443 HD11 LEU 87 13.333 -33.202 15.083 1.00 32.23 ATOM 1444 HD12 LEU 87 13.406 -31.842 16.191 1.00 1.23 ATOM 1445 HD13 LEU 87 14.643 -32.034 14.952 1.00 63.24 ATOM 1446 CD2 LEU 87 11.287 -31.695 14.346 1.00 64.44 ATOM 1447 HD21 LEU 87 10.705 -31.227 13.576 1.00 74.35 ATOM 1448 HD22 LEU 87 10.930 -31.378 15.309 1.00 3.45 ATOM 1449 HD23 LEU 87 11.168 -32.768 14.269 1.00 11.13 ATOM 1450 C LEU 87 11.843 -29.475 12.246 1.00 61.35 ATOM 1451 O LEU 87 12.740 -30.064 11.642 1.00 71.13 ATOM 1452 N TRP 88 10.629 -29.293 11.740 1.00 71.34 ATOM 1453 HN TRP 88 9.944 -28.826 12.250 1.00 37.59 ATOM 1454 CA TRP 88 10.271 -29.787 10.414 1.00 5.43 ATOM 1455 HA TRP 88 10.206 -30.865 10.471 1.00 33.32 ATOM 1456 CB TRP 88 8.922 -29.212 9.981 1.00 71.14 ATOM 1457 HB1 TRP 88 8.889 -29.125 8.901 1.00 37.59 ATOM 1458 HB2 TRP 88 8.799 -28.228 10.411 1.00 42.23 ATOM 1459 CG TRP 88 7.756 -30.058 10.394 1.00 33.00 ATOM 1460 CD1 TRP 88 6.714 -29.683 11.193 1.00 55.00 ATOM 1461 HD1 TRP 88 6.610 -28.707 11.638 1.00 73.31 ATOM 1462 CD2 TRP 88 7.515 -31.422 10.031 1.00 53.35 ATOM 1463 NE1 TRP 88 5.839 -30.731 11.348 1.00 21.51 ATOM 1464 HE1 TRP 88 5.013 -30.709 11.875 1.00 41.22 ATOM 1465 CE2 TRP 88 6.307 -31.809 10.644 1.00 24.22 ATOM 1466 CE3 TRP 88 8.200 -32.352 9.245 1.00 72.31 ATOM 1467 HE3 TRP 88 9.121 -32.092 8.758 1.00 34.42 ATOM 1468 CZ2 TRP 88 5.774 -33.087 10.496 1.00 2.13 ATOM 1469 HZ2 TRP 88 4.854 -33.378 10.977 1.00 44.20 ATOM 1470 CZ3 TRP 88 7.669 -33.620 9.099 1.00 24.03 ATOM 1471 HZ3 TRP 88 8.177 -34.350 8.496 1.00 2.13 ATOM 1472 CH2 TRP 88 6.466 -33.978 9.722 1.00 41.14 ATOM 1473 HH2 TRP 88 6.089 -34.980 9.581 1.00 62.05 ATOM 1474 C TRP 88 11.344 -29.426 9.392 1.00 74.11 ATOM 1475 O TRP 88 11.564 -30.157 8.427 1.00 63.55 ATOM 1476 N ARG 89 12.007 -28.295 9.610 1.00 30.41 ATOM 1477 HN ARG 89 11.765 -27.741 10.379 1.00 37.59 ATOM 1478 CA ARG 89 13.056 -27.838 8.706 1.00 34.33 ATOM 1479 HA ARG 89 12.595 -27.579 7.764 1.00 25.42 ATOM 1480 CB ARG 89 13.746 -26.599 9.278 1.00 43.43 ATOM 1481 HB1 ARG 89 14.370 -26.169 8.507 1.00 37.59 ATOM 1482 HB2 ARG 89 14.376 -26.900 10.108 1.00 1.42 ATOM 1483 CG ARG 89 12.779 -25.545 9.792 1.00 72.03 ATOM 1484 HG1 ARG 89 12.940 -25.411 10.851 1.00 37.59 ATOM 1485 HG2 ARG 89 11.755 -25.845 9.618 1.00 12.32 ATOM 1486 CD ARG 89 12.990 -24.209 9.097 1.00 52.20 ATOM 1487 HD1 ARG 89 12.201 -23.536 9.400 1.00 37.59 ATOM 1488 HD2 ARG 89 12.941 -24.355 8.025 1.00 34.10 ATOM 1489 NE ARG 89 14.277 -23.610 9.441 1.00 34.21 ATOM 1490 HE ARG 89 14.848 -24.083 10.090 1.00 64.41 ATOM 1491 CZ ARG 89 14.716 -22.466 8.928 1.00 35.13 ATOM 1492 NH1 ARG 89 13.974 -21.800 8.053 1.00 25.53 ATOM 1493 HH11 ARG 89 13.080 -22.140 7.765 1.00 53.21 ATOM 1494 HH12 ARG 89 14.312 -20.937 7.671 1.00 52.55 ATOM 1495 NH2 ARG 89 15.898 -21.985 9.291 1.00 31.40 ATOM 1496 HH21 ARG 89 16.463 -22.478 9.956 1.00 63.24 ATOM 1497 HH22 ARG 89 16.232 -21.137 8.890 1.00 44.45 ATOM 1498 C ARG 89 14.083 -28.940 8.464 1.00 22.13 ATOM 1499 O ARG 89 14.535 -29.143 7.338 1.00 23.11 ATOM 1500 N GLU 90 14.447 -29.647 9.530 1.00 61.35 ATOM 1501 HN GLU 90 14.049 -29.439 10.408 1.00 37.59 ATOM 1502 CA GLU 90 15.422 -30.727 9.432 1.00 22.10 ATOM 1503 HA GLU 90 16.318 -30.335 8.973 1.00 44.23 ATOM 1504 CB GLU 90 15.764 -31.263 10.824 1.00 74.10 ATOM 1505 HB1 GLU 90 16.506 -32.044 10.729 1.00 37.59 ATOM 1506 HB2 GLU 90 14.871 -31.678 11.271 1.00 2.12 ATOM 1507 CG GLU 90 16.313 -30.205 11.766 1.00 41.02 ATOM 1508 HG1 GLU 90 16.667 -30.686 12.664 1.00 37.59 ATOM 1509 HG2 GLU 90 15.520 -29.518 12.019 1.00 33.23 ATOM 1510 CD GLU 90 17.456 -29.417 11.155 1.00 73.00 ATOM 1511 OE1 GLU 90 17.179 -28.463 10.398 1.00 5.31 ATOM 1512 OE2 GLU 90 18.625 -29.754 11.433 1.00 23.42 ATOM 1513 C GLU 90 14.895 -31.859 8.554 1.00 0.34 ATOM 1514 O GLU 90 15.614 -32.386 7.705 1.00 22.13 ATOM 1515 N ILE 91 13.636 -32.226 8.766 1.00 31.34 ATOM 1516 HN ILE 91 13.107 -31.742 9.437 1.00 37.59 ATOM 1517 CA ILE 91 13.012 -33.294 7.995 1.00 63.30 ATOM 1518 HA ILE 91 13.576 -34.202 8.162 1.00 64.04 ATOM 1519 CB ILE 91 11.555 -33.530 8.435 1.00 42.40 ATOM 1520 HB ILE 91 10.980 -32.655 8.181 1.00 64.51 ATOM 1521 CG1 ILE 91 11.486 -33.750 9.947 1.00 15.25 ATOM 1522 HG11 ILE 91 10.457 -33.924 10.231 1.00 37.59 ATOM 1523 HG12 ILE 91 11.841 -32.875 10.464 1.00 20.05 ATOM 1524 CG2 ILE 91 10.964 -34.719 7.693 1.00 15.23 ATOM 1525 HG21 ILE 91 10.037 -35.017 8.153 1.00 44.50 ATOM 1526 HG22 ILE 91 11.653 -35.553 7.722 1.00 10.15 ATOM 1527 HG23 ILE 91 10.775 -34.447 6.665 1.00 3.34 ATOM 1528 CD1 ILE 91 12.296 -34.935 10.424 1.00 41.24 ATOM 1529 HD11 ILE 91 12.151 -35.050 11.484 1.00 3.10 ATOM 1530 HD12 ILE 91 13.344 -34.780 10.222 1.00 44.20 ATOM 1531 HD13 ILE 91 11.954 -35.826 9.926 1.00 34.42 ATOM 1532 C ILE 91 13.037 -32.981 6.503 1.00 54.12 ATOM 1533 O ILE 91 13.384 -33.832 5.683 1.00 20.13 ATOM 1534 N THR 92 12.667 -31.752 6.155 1.00 32.05 ATOM 1535 HN THR 92 12.394 -31.111 6.854 1.00 37.59 ATOM 1536 CA THR 92 12.647 -31.325 4.762 1.00 34.02 ATOM 1537 HA THR 92 12.049 -32.036 4.203 1.00 64.21 ATOM 1538 CB THR 92 12.029 -29.922 4.614 1.00 51.24 ATOM 1539 HB THR 92 12.676 -29.296 4.008 1.00 73.33 ATOM 1540 OG1 THR 92 11.883 -29.312 5.901 1.00 72.01 ATOM 1541 HG1 THR 92 11.869 -28.356 5.807 1.00 72.14 ATOM 1542 CG2 THR 92 10.674 -29.997 3.926 1.00 42.03 ATOM 1543 HG21 THR 92 10.152 -30.897 4.214 1.00 54.55 ATOM 1544 HG22 THR 92 10.819 -29.997 2.857 1.00 74.14 ATOM 1545 HG23 THR 92 10.087 -29.135 4.201 1.00 12.34 ATOM 1546 C THR 92 14.051 -31.315 4.170 1.00 41.12 ATOM 1547 O THR 92 14.270 -31.792 3.056 1.00 41.41 ATOM 1548 N LYS 93 15.001 -30.769 4.921 1.00 23.35 ATOM 1549 HN LYS 93 14.765 -30.394 5.803 1.00 37.59 ATOM 1550 CA LYS 93 16.387 -30.698 4.472 1.00 34.53 ATOM 1551 HA LYS 93 16.401 -30.173 3.524 1.00 43.52 ATOM 1552 CB LYS 93 17.235 -29.929 5.487 1.00 32.15 ATOM 1553 HB1 LYS 93 17.573 -30.607 6.262 1.00 37.59 ATOM 1554 HB2 LYS 93 16.620 -29.168 5.953 1.00 32.54 ATOM 1555 CG LYS 93 18.458 -29.265 4.879 1.00 13.31 ATOM 1556 HG1 LYS 93 18.802 -29.838 4.027 1.00 37.59 ATOM 1557 HG2 LYS 93 19.237 -29.238 5.628 1.00 4.23 ATOM 1558 CD LYS 93 18.156 -27.844 4.432 1.00 22.11 ATOM 1559 HD1 LYS 93 17.727 -27.293 5.259 1.00 37.59 ATOM 1560 HD2 LYS 93 17.452 -27.876 3.615 1.00 44.14 ATOM 1561 CE LYS 93 19.415 -27.127 3.969 1.00 53.35 ATOM 1562 HE1 LYS 93 20.082 -27.016 4.812 1.00 37.59 ATOM 1563 HE2 LYS 93 19.142 -26.151 3.596 1.00 51.42 ATOM 1564 NZ LYS 93 20.116 -27.878 2.891 1.00 25.02 ATOM 1565 HZ1 LYS 93 20.859 -27.281 2.474 1.00 2.04 ATOM 1566 HZ2 LYS 93 19.450 -28.152 2.138 1.00 51.34 ATOM 1567 HZ3 LYS 93 20.560 -28.736 3.276 1.00 3.32 ATOM 1568 C LYS 93 16.964 -32.095 4.266 1.00 31.34 ATOM 1569 O LYS 93 17.800 -32.309 3.389 1.00 14.12 ATOM 1570 N GLY 94 16.511 -33.044 5.080 1.00 30.14 ATOM 1571 HN GLY 94 15.857 -32.831 5.781 1.00 37.59 ATOM 1572 CA GLY 94 16.993 -34.409 4.970 1.00 53.51 ATOM 1573 HA1 GLY 94 16.441 -35.030 5.661 1.00 37.59 ATOM 1574 HA2 GLY 94 18.040 -34.435 5.237 1.00 50.02 ATOM 1575 C GLY 94 16.829 -34.970 3.571 1.00 10.43 ATOM 1576 O GLY 94 17.676 -35.726 3.095 1.00 60.34 ATOM 1577 N LEU 95 15.737 -34.601 2.912 1.00 55.42 ATOM 1578 HN LEU 95 15.122 -33.950 3.319 1.00 37.59 ATOM 1579 CA LEU 95 15.463 -35.074 1.559 1.00 10.51 ATOM 1580 HA LEU 95 15.981 -36.013 1.401 1.00 3.32 ATOM 1581 CB LEU 95 13.964 -35.317 1.376 1.00 11.12 ATOM 1582 HB1 LEU 95 13.848 -36.143 0.687 1.00 37.59 ATOM 1583 HB2 LEU 95 13.520 -34.447 0.924 1.00 40.34 ATOM 1584 CG LEU 95 13.177 -35.645 2.646 1.00 64.13 ATOM 1585 HG LEU 95 13.302 -34.856 3.369 1.00 61.41 ATOM 1586 CD1 LEU 95 11.690 -35.739 2.343 1.00 60.32 ATOM 1587 HD11 LEU 95 11.219 -34.796 2.578 1.00 31.12 ATOM 1588 HD12 LEU 95 11.242 -36.518 2.935 1.00 24.13 ATOM 1589 HD13 LEU 95 11.529 -35.963 1.296 1.00 61.22 ATOM 1590 CD2 LEU 95 13.681 -36.941 3.265 1.00 55.12 ATOM 1591 HD21 LEU 95 13.028 -37.249 4.071 1.00 54.35 ATOM 1592 HD22 LEU 95 14.678 -36.794 3.652 1.00 50.32 ATOM 1593 HD23 LEU 95 13.702 -37.703 2.505 1.00 44.14 ATOM 1594 C LEU 95 15.957 -34.071 0.521 1.00 4.13 ATOM 1595 O LEU 95 15.628 -34.172 -0.660 1.00 12.34 ATOM 1596 N ASN 96 16.752 -33.105 0.971 1.00 51.11 ATOM 1597 HN ASN 96 17.011 -33.065 1.895 1.00 37.59 ATOM 1598 CA ASN 96 17.294 -32.085 0.081 1.00 55.53 ATOM 1599 HA ASN 96 17.940 -31.450 0.672 1.00 35.31 ATOM 1600 CB ASN 96 18.105 -32.736 -1.041 1.00 4.50 ATOM 1601 HB1 ASN 96 17.449 -33.078 -1.831 1.00 37.59 ATOM 1602 HB2 ASN 96 18.641 -33.585 -0.641 1.00 24.11 ATOM 1603 CG ASN 96 19.124 -31.787 -1.643 1.00 1.12 ATOM 1604 OD1 ASN 96 19.043 -31.437 -2.820 1.00 62.14 ATOM 1605 ND2 ASN 96 20.090 -31.366 -0.835 1.00 21.13 ATOM 1606 HD21 ASN 96 20.105 -31.679 0.098 1.00 53.44 ATOM 1607 HD22 ASN 96 20.758 -30.752 -1.205 1.00 13.43 ATOM 1608 C ASN 96 16.176 -31.232 -0.514 1.00 22.53 ATOM 1609 O ASN 96 16.132 -31.003 -1.723 1.00 73.11 ATOM 1610 N LEU 97 15.276 -30.765 0.344 1.00 31.42 ATOM 1611 HN LEU 97 15.368 -30.964 1.305 1.00 37.59 ATOM 1612 CA LEU 97 14.158 -29.937 -0.095 1.00 70.51 ATOM 1613 HA LEU 97 14.076 -30.023 -1.170 1.00 31.33 ATOM 1614 CB LEU 97 12.853 -30.437 0.527 1.00 53.21 ATOM 1615 HB1 LEU 97 12.033 -29.935 0.041 1.00 37.59 ATOM 1616 HB2 LEU 97 12.846 -30.159 1.575 1.00 42.43 ATOM 1617 CG LEU 97 12.605 -31.944 0.449 1.00 4.30 ATOM 1618 HG LEU 97 13.324 -32.448 1.064 1.00 75.41 ATOM 1619 CD1 LEU 97 11.217 -32.284 0.969 1.00 65.51 ATOM 1620 HD11 LEU 97 11.133 -31.978 2.001 1.00 23.15 ATOM 1621 HD12 LEU 97 11.055 -33.351 0.902 1.00 43.34 ATOM 1622 HD13 LEU 97 10.469 -31.771 0.379 1.00 1.33 ATOM 1623 CD2 LEU 97 12.779 -32.439 -0.979 1.00 75.52 ATOM 1624 HD21 LEU 97 12.538 -33.489 -1.017 1.00 41.11 ATOM 1625 HD22 LEU 97 13.799 -32.301 -1.298 1.00 54.21 ATOM 1626 HD23 LEU 97 12.116 -31.897 -1.639 1.00 3.41 ATOM 1627 C LEU 97 14.385 -28.475 0.276 1.00 74.43 ATOM 1628 O LEU 97 15.084 -28.154 1.237 1.00 34.30 ATOM 1629 N PRO 98 13.779 -27.566 -0.503 1.00 34.54 ATOM 1630 CA PRO 98 13.897 -26.123 -0.274 1.00 21.41 ATOM 1631 HA PRO 98 14.935 -25.819 -0.228 1.00 14.14 ATOM 1632 CB PRO 98 13.244 -25.513 -1.516 1.00 51.52 ATOM 1633 HB1 PRO 98 14.004 -25.312 -2.256 1.00 37.59 ATOM 1634 HB2 PRO 98 12.730 -24.591 -1.269 1.00 4.21 ATOM 1635 CG PRO 98 12.295 -26.556 -1.997 1.00 41.30 ATOM 1636 HG1 PRO 98 12.166 -26.466 -3.065 1.00 37.59 ATOM 1637 HG2 PRO 98 11.364 -26.448 -1.507 1.00 75.54 ATOM 1638 CD PRO 98 12.930 -27.878 -1.665 1.00 44.35 ATOM 1639 HD1 PRO 98 13.523 -28.236 -2.493 1.00 37.59 ATOM 1640 HD2 PRO 98 12.178 -28.587 -1.403 1.00 61.42 ATOM 1641 C PRO 98 13.167 -25.674 0.987 1.00 31.42 ATOM 1642 O PRO 98 12.029 -26.075 1.235 1.00 22.31 ATOM 1643 N THR 99 13.828 -24.839 1.783 1.00 51.25 ATOM 1644 HN THR 99 14.727 -24.552 1.518 1.00 37.59 ATOM 1645 CA THR 99 13.242 -24.336 3.019 1.00 51.35 ATOM 1646 HA THR 99 12.657 -25.128 3.474 1.00 4.02 ATOM 1647 CB THR 99 14.329 -23.915 4.025 1.00 23.23 ATOM 1648 HB THR 99 14.895 -24.792 4.307 1.00 14.34 ATOM 1649 OG1 THR 99 13.723 -23.353 5.194 1.00 3.43 ATOM 1650 HG1 THR 99 14.316 -23.450 5.944 1.00 21.12 ATOM 1651 CG2 THR 99 15.280 -22.903 3.404 1.00 60.33 ATOM 1652 HG21 THR 99 15.873 -23.378 2.640 1.00 33.14 ATOM 1653 HG22 THR 99 15.937 -22.523 4.172 1.00 54.14 ATOM 1654 HG23 THR 99 14.730 -22.078 2.974 1.00 63.24 ATOM 1655 C THR 99 12.327 -23.146 2.749 1.00 25.32 ATOM 1656 O THR 99 11.735 -22.585 3.671 1.00 71.51 ATOM 1657 N SER 100 12.217 -22.766 1.480 1.00 34.33 ATOM 1658 HN SER 100 12.720 -23.220 0.779 1.00 37.59 ATOM 1659 CA SER 100 11.376 -21.641 1.090 1.00 11.51 ATOM 1660 HA SER 100 11.477 -20.860 1.835 1.00 32.33 ATOM 1661 CB SER 100 11.827 -21.084 -0.262 1.00 23.04 ATOM 1662 HB1 SER 100 11.581 -21.783 -1.050 1.00 37.59 ATOM 1663 HB2 SER 100 12.896 -20.931 -0.243 1.00 74.21 ATOM 1664 OG SER 100 11.200 -19.843 -0.537 1.00 63.54 ATOM 1665 HG SER 100 11.404 -19.573 -1.435 1.00 43.22 ATOM 1666 C SER 100 9.910 -22.057 1.018 1.00 51.24 ATOM 1667 O SER 100 9.013 -21.213 1.016 1.00 42.23 ATOM 1668 N ILE 101 9.675 -23.363 0.958 1.00 73.22 ATOM 1669 HN ILE 101 10.426 -23.990 0.974 1.00 37.59 ATOM 1670 CA ILE 101 8.318 -23.892 0.886 1.00 24.22 ATOM 1671 HA ILE 101 7.911 -23.619 -0.081 1.00 34.33 ATOM 1672 CB ILE 101 8.307 -25.428 0.996 1.00 72.44 ATOM 1673 HB ILE 101 8.735 -25.694 1.949 1.00 25.31 ATOM 1674 CG1 ILE 101 9.150 -26.047 -0.121 1.00 71.32 ATOM 1675 HG11 ILE 101 10.065 -25.495 -0.243 1.00 37.59 ATOM 1676 HG12 ILE 101 8.602 -26.016 -1.052 1.00 75.05 ATOM 1677 CG2 ILE 101 6.880 -25.952 0.942 1.00 75.43 ATOM 1678 HG21 ILE 101 6.378 -25.563 0.066 1.00 25.24 ATOM 1679 HG22 ILE 101 6.342 -25.652 1.828 1.00 55.04 ATOM 1680 HG23 ILE 101 6.889 -27.032 0.893 1.00 2.31 ATOM 1681 CD1 ILE 101 9.533 -27.487 0.138 1.00 31.53 ATOM 1682 HD11 ILE 101 10.169 -27.842 -0.651 1.00 24.21 ATOM 1683 HD12 ILE 101 8.642 -28.095 0.176 1.00 21.14 ATOM 1684 HD13 ILE 101 10.056 -27.559 1.080 1.00 53.14 ATOM 1685 C ILE 101 7.442 -23.309 1.989 1.00 12.40 ATOM 1686 O ILE 101 7.676 -23.545 3.175 1.00 40.32 ATOM 1687 N THR 102 6.428 -22.546 1.591 1.00 44.43 ATOM 1688 HN THR 102 6.284 -22.398 0.626 1.00 37.59 ATOM 1689 CA THR 102 5.515 -21.928 2.544 1.00 25.44 ATOM 1690 HA THR 102 6.119 -21.405 3.282 1.00 70.45 ATOM 1691 CB THR 102 4.590 -20.907 1.856 1.00 30.42 ATOM 1692 HB THR 102 3.683 -21.404 1.526 1.00 43.23 ATOM 1693 OG1 THR 102 5.243 -20.348 0.711 1.00 3.35 ATOM 1694 HG1 THR 102 4.942 -20.793 -0.086 1.00 41.25 ATOM 1695 CG2 THR 102 4.201 -19.795 2.818 1.00 34.44 ATOM 1696 HG21 THR 102 3.503 -19.143 2.324 1.00 31.24 ATOM 1697 HG22 THR 102 5.081 -19.237 3.102 1.00 62.05 ATOM 1698 HG23 THR 102 3.737 -20.217 3.699 1.00 12.12 ATOM 1699 C THR 102 4.662 -22.978 3.247 1.00 70.11 ATOM 1700 O THR 102 4.126 -23.885 2.609 1.00 4.42 ATOM 1701 N SER 103 4.539 -22.849 4.564 1.00 32.21 ATOM 1702 HN SER 103 4.985 -22.105 5.028 1.00 37.59 ATOM 1703 CA SER 103 3.752 -23.789 5.354 1.00 61.21 ATOM 1704 HA SER 103 3.843 -23.507 6.392 1.00 31.02 ATOM 1705 CB SER 103 2.279 -23.722 4.947 1.00 71.43 ATOM 1706 HB1 SER 103 1.683 -24.243 5.682 1.00 37.59 ATOM 1707 HB2 SER 103 2.139 -24.185 3.980 1.00 74.23 ATOM 1708 OG SER 103 1.832 -22.380 4.869 1.00 53.00 ATOM 1709 HG SER 103 1.631 -22.054 5.750 1.00 5.11 ATOM 1710 C SER 103 4.275 -25.212 5.183 1.00 34.52 ATOM 1711 O SER 103 3.534 -26.181 5.351 1.00 65.33 ATOM 1712 N ALA 104 5.555 -25.330 4.849 1.00 44.34 ATOM 1713 HN ALA 104 6.117 -24.528 4.776 1.00 37.59 ATOM 1714 CA ALA 104 6.179 -26.633 4.657 1.00 73.31 ATOM 1715 HA ALA 104 5.733 -27.092 3.786 1.00 70.55 ATOM 1716 CB ALA 104 7.669 -26.473 4.396 1.00 50.51 ATOM 1717 HB1 ALA 104 7.978 -25.453 4.560 1.00 1.12 ATOM 1718 HB2 ALA 104 7.874 -26.749 3.381 1.00 51.11 ATOM 1719 HB3 ALA 104 8.240 -27.121 5.050 1.00 54.51 ATOM 1720 C ALA 104 5.945 -27.536 5.863 1.00 23.14 ATOM 1721 O ALA 104 5.693 -28.732 5.716 1.00 3.44 ATOM 1722 N ALA 105 6.032 -26.956 7.056 1.00 32.21 ATOM 1723 HN ALA 105 6.247 -25.995 7.116 1.00 37.59 ATOM 1724 CA ALA 105 5.829 -27.709 8.288 1.00 53.41 ATOM 1725 HA ALA 105 6.475 -28.578 8.268 1.00 15.54 ATOM 1726 CB ALA 105 6.220 -26.865 9.492 1.00 24.21 ATOM 1727 HB1 ALA 105 5.876 -25.850 9.346 1.00 24.34 ATOM 1728 HB2 ALA 105 7.293 -26.864 9.595 1.00 55.11 ATOM 1729 HB3 ALA 105 5.775 -27.261 10.391 1.00 15.43 ATOM 1730 C ALA 105 4.382 -28.175 8.414 1.00 4.12 ATOM 1731 O ALA 105 4.113 -29.266 8.916 1.00 21.50 ATOM 1732 N PHE 106 3.455 -27.341 7.957 1.00 55.15 ATOM 1733 HN PHE 106 3.725 -26.474 7.575 1.00 37.59 ATOM 1734 CA PHE 106 2.035 -27.667 8.020 1.00 33.41 ATOM 1735 HA PHE 106 1.822 -28.038 9.017 1.00 11.31 ATOM 1736 CB PHE 106 1.190 -26.419 7.754 1.00 63.51 ATOM 1737 HB1 PHE 106 0.936 -26.360 6.700 1.00 37.59 ATOM 1738 HB2 PHE 106 1.771 -25.539 8.010 1.00 15.44 ATOM 1739 CG PHE 106 -0.083 -26.377 8.549 1.00 12.42 ATOM 1740 CD1 PHE 106 -1.231 -26.993 8.078 1.00 50.22 ATOM 1741 HD1 PHE 106 -1.208 -27.511 7.129 1.00 60.41 ATOM 1742 CD2 PHE 106 -0.132 -25.719 9.768 1.00 34.41 ATOM 1743 HD2 PHE 106 0.756 -25.233 10.150 1.00 41.15 ATOM 1744 CE1 PHE 106 -2.405 -26.956 8.807 1.00 5.43 ATOM 1745 HE1 PHE 106 -3.293 -27.440 8.428 1.00 51.44 ATOM 1746 CE2 PHE 106 -1.303 -25.679 10.502 1.00 23.21 ATOM 1747 HE2 PHE 106 -1.329 -25.163 11.451 1.00 33.34 ATOM 1748 CZ PHE 106 -2.440 -26.297 10.021 1.00 55.14 ATOM 1749 HZ PHE 106 -3.355 -26.266 10.593 1.00 22.15 ATOM 1750 C PHE 106 1.682 -28.758 7.013 1.00 31.21 ATOM 1751 O PHE 106 0.907 -29.668 7.311 1.00 55.44 ATOM 1752 N THR 107 2.257 -28.661 5.818 1.00 14.32 ATOM 1753 HN THR 107 2.868 -27.910 5.630 1.00 37.59 ATOM 1754 CA THR 107 2.003 -29.637 4.766 1.00 54.40 ATOM 1755 HA THR 107 0.934 -29.816 4.717 1.00 24.53 ATOM 1756 CB THR 107 2.462 -29.114 3.392 1.00 42.41 ATOM 1757 HB THR 107 3.528 -28.932 3.427 1.00 63.32 ATOM 1758 OG1 THR 107 1.792 -27.886 3.086 1.00 4.51 ATOM 1759 HG1 THR 107 2.320 -27.375 2.468 1.00 33.34 ATOM 1760 CG2 THR 107 2.180 -30.136 2.302 1.00 70.33 ATOM 1761 HG21 THR 107 1.169 -30.510 2.396 1.00 24.43 ATOM 1762 HG22 THR 107 2.878 -30.956 2.378 1.00 70.33 ATOM 1763 HG23 THR 107 2.294 -29.664 1.337 1.00 11.53 ATOM 1764 C THR 107 2.709 -30.956 5.057 1.00 1.42 ATOM 1765 O THR 107 2.181 -32.031 4.772 1.00 72.04 ATOM 1766 N LEU 108 3.906 -30.867 5.628 1.00 75.03 ATOM 1767 HN LEU 108 4.289 -29.979 5.823 1.00 37.59 ATOM 1768 CA LEU 108 4.685 -32.055 5.959 1.00 50.21 ATOM 1769 HA LEU 108 4.807 -32.639 5.057 1.00 51.23 ATOM 1770 CB LEU 108 6.063 -31.653 6.488 1.00 32.55 ATOM 1771 HB1 LEU 108 6.464 -32.473 7.063 1.00 37.59 ATOM 1772 HB2 LEU 108 5.923 -30.814 7.159 1.00 34.13 ATOM 1773 CG LEU 108 7.100 -31.266 5.434 1.00 25.51 ATOM 1774 HG LEU 108 6.656 -30.591 4.731 1.00 4.51 ATOM 1775 CD1 LEU 108 8.279 -30.556 6.081 1.00 41.31 ATOM 1776 HD11 LEU 108 8.513 -29.678 5.504 1.00 52.25 ATOM 1777 HD12 LEU 108 9.146 -31.203 6.117 1.00 1.44 ATOM 1778 HD13 LEU 108 8.032 -30.249 7.090 1.00 0.04 ATOM 1779 CD2 LEU 108 7.570 -32.497 4.672 1.00 43.34 ATOM 1780 HD21 LEU 108 8.303 -32.207 3.931 1.00 65.23 ATOM 1781 HD22 LEU 108 6.731 -32.961 4.175 1.00 15.20 ATOM 1782 HD23 LEU 108 8.016 -33.204 5.359 1.00 42.21 ATOM 1783 C LEU 108 3.960 -32.911 6.992 1.00 21.23 ATOM 1784 O LEU 108 3.864 -34.130 6.846 1.00 40.32 ATOM 1785 N ARG 109 3.450 -32.265 8.036 1.00 70.14 ATOM 1786 HN ARG 109 3.566 -31.287 8.105 1.00 37.59 ATOM 1787 CA ARG 109 2.733 -32.967 9.093 1.00 73.31 ATOM 1788 HA ARG 109 3.402 -33.671 9.548 1.00 31.14 ATOM 1789 CB ARG 109 2.243 -31.977 10.151 1.00 3.12 ATOM 1790 HB1 ARG 109 1.557 -31.283 9.683 1.00 37.59 ATOM 1791 HB2 ARG 109 3.094 -31.427 10.528 1.00 65.51 ATOM 1792 CG ARG 109 1.545 -32.639 11.328 1.00 52.41 ATOM 1793 HG1 ARG 109 2.259 -33.242 11.849 1.00 37.59 ATOM 1794 HG2 ARG 109 0.740 -33.263 10.968 1.00 53.13 ATOM 1795 CD ARG 109 0.958 -31.607 12.279 1.00 71.40 ATOM 1796 HD1 ARG 109 1.771 -31.014 12.669 1.00 37.59 ATOM 1797 HD2 ARG 109 0.474 -32.124 13.085 1.00 12.23 ATOM 1798 NE ARG 109 -0.001 -30.731 11.612 1.00 34.10 ATOM 1799 HE ARG 109 -0.412 -31.051 10.775 1.00 31.31 ATOM 1800 CZ ARG 109 -0.351 -29.536 12.076 1.00 71.45 ATOM 1801 NH1 ARG 109 0.177 -29.078 13.202 1.00 43.12 ATOM 1802 HH11 ARG 109 0.833 -29.607 13.723 1.00 22.15 ATOM 1803 HH12 ARG 109 -0.091 -28.173 13.538 1.00 62.40 ATOM 1804 NH2 ARG 109 -1.231 -28.797 11.412 1.00 62.43 ATOM 1805 HH21 ARG 109 -1.625 -29.125 10.551 1.00 11.41 ATOM 1806 HH22 ARG 109 -1.535 -27.936 11.803 1.00 14.43 ATOM 1807 C ARG 109 1.550 -33.745 8.523 1.00 30.35 ATOM 1808 O ARG 109 1.419 -34.949 8.747 1.00 71.44 ATOM 1809 N THR 110 0.690 -33.049 7.787 1.00 73.23 ATOM 1810 HN THR 110 0.850 -32.086 7.639 1.00 37.59 ATOM 1811 CA THR 110 -0.483 -33.673 7.187 1.00 63.32 ATOM 1812 HA THR 110 -1.055 -34.147 7.976 1.00 43.41 ATOM 1813 CB THR 110 -1.385 -32.630 6.501 1.00 70.55 ATOM 1814 HB THR 110 -0.820 -32.140 5.719 1.00 62.02 ATOM 1815 OG1 THR 110 -1.809 -31.648 7.452 1.00 42.43 ATOM 1816 HG1 THR 110 -1.111 -31.001 7.581 1.00 43.45 ATOM 1817 CG2 THR 110 -2.602 -33.296 5.875 1.00 43.32 ATOM 1818 HG21 THR 110 -2.310 -33.828 4.981 1.00 31.03 ATOM 1819 HG22 THR 110 -3.326 -32.538 5.615 1.00 71.02 ATOM 1820 HG23 THR 110 -3.050 -33.987 6.577 1.00 54.11 ATOM 1821 C THR 110 -0.080 -34.731 6.166 1.00 74.24 ATOM 1822 O THR 110 -0.517 -35.879 6.244 1.00 62.22 ATOM 1823 N GLN 111 0.754 -34.337 5.209 1.00 1.33 ATOM 1824 HN GLN 111 1.065 -33.401 5.197 1.00 37.59 ATOM 1825 CA GLN 111 1.215 -35.253 4.173 1.00 52.35 ATOM 1826 HA GLN 111 0.359 -35.555 3.605 1.00 14.42 ATOM 1827 CB GLN 111 2.238 -34.561 3.269 1.00 33.34 ATOM 1828 HB1 GLN 111 2.771 -35.311 2.696 1.00 37.59 ATOM 1829 HB2 GLN 111 2.949 -34.028 3.877 1.00 21.31 ATOM 1830 CG GLN 111 1.616 -33.591 2.278 1.00 61.35 ATOM 1831 HG1 GLN 111 2.386 -33.237 1.609 1.00 37.59 ATOM 1832 HG2 GLN 111 1.198 -32.757 2.817 1.00 43.01 ATOM 1833 CD GLN 111 0.514 -34.226 1.453 1.00 34.21 ATOM 1834 OE1 GLN 111 0.471 -35.446 1.287 1.00 54.51 ATOM 1835 NE2 GLN 111 -0.386 -33.401 0.931 1.00 12.45 ATOM 1836 HE21 GLN 111 -0.303 -32.435 1.097 1.00 60.42 ATOM 1837 HE22 GLN 111 -1.106 -33.793 0.394 1.00 50.33 ATOM 1838 C GLN 111 1.827 -36.507 4.787 1.00 3.11 ATOM 1839 O GLN 111 1.699 -37.604 4.242 1.00 14.44 ATOM 1840 N TYR 112 2.494 -36.338 5.924 1.00 54.23 ATOM 1841 HN TYR 112 2.578 -35.436 6.313 1.00 37.59 ATOM 1842 CA TYR 112 3.129 -37.456 6.611 1.00 53.10 ATOM 1843 HA TYR 112 3.626 -38.074 5.873 1.00 4.25 ATOM 1844 CB TYR 112 4.176 -36.944 7.602 1.00 74.40 ATOM 1845 HB1 TYR 112 3.723 -36.185 8.227 1.00 37.59 ATOM 1846 HB2 TYR 112 4.992 -36.497 7.049 1.00 55.34 ATOM 1847 CG TYR 112 4.738 -38.024 8.499 1.00 4.40 ATOM 1848 CD1 TYR 112 4.106 -38.365 9.689 1.00 44.05 ATOM 1849 HD1 TYR 112 3.204 -37.848 9.972 1.00 13.02 ATOM 1850 CD2 TYR 112 5.902 -38.701 8.158 1.00 64.20 ATOM 1851 HD2 TYR 112 6.408 -38.455 7.256 1.00 21.24 ATOM 1852 CE1 TYR 112 4.617 -39.350 10.512 1.00 42.22 ATOM 1853 HE1 TYR 112 4.108 -39.604 11.417 1.00 33.45 ATOM 1854 CE2 TYR 112 6.420 -39.688 8.974 1.00 35.32 ATOM 1855 HE2 TYR 112 7.322 -40.200 8.689 1.00 23.25 ATOM 1856 CZ TYR 112 5.774 -40.009 10.150 1.00 14.10 ATOM 1857 OH TYR 112 6.286 -40.991 10.967 1.00 44.34 ATOM 1858 HH TYR 112 7.103 -40.688 11.374 1.00 63.23 ATOM 1859 C TYR 112 2.093 -38.306 7.341 1.00 1.53 ATOM 1860 O TYR 112 1.970 -39.504 7.092 1.00 25.41 ATOM 1861 N MET 113 1.350 -37.674 8.244 1.00 32.21 ATOM 1862 HN MET 113 1.498 -36.712 8.401 1.00 37.59 ATOM 1863 CA MET 113 0.323 -38.371 9.010 1.00 12.20 ATOM 1864 HA MET 113 0.808 -39.125 9.605 1.00 23.21 ATOM 1865 CB MET 113 -0.398 -37.395 9.943 1.00 63.43 ATOM 1866 HB1 MET 113 -1.109 -36.818 9.363 1.00 37.59 ATOM 1867 HB2 MET 113 0.330 -36.717 10.362 1.00 1.10 ATOM 1868 CG MET 113 -1.124 -38.077 11.091 1.00 54.22 ATOM 1869 HG1 MET 113 -0.452 -38.175 11.923 1.00 37.59 ATOM 1870 HG2 MET 113 -1.449 -39.061 10.780 1.00 63.52 ATOM 1871 SD MET 113 -2.576 -37.157 11.637 1.00 21.35 ATOM 1872 CE MET 113 -1.876 -35.524 11.865 1.00 31.45 ATOM 1873 HE1 MET 113 -1.047 -35.579 12.554 1.00 11.52 ATOM 1874 HE2 MET 113 -2.633 -34.867 12.263 1.00 15.30 ATOM 1875 HE3 MET 113 -1.534 -35.138 10.917 1.00 40.13 ATOM 1876 C MET 113 -0.684 -39.044 8.083 1.00 53.22 ATOM 1877 O MET 113 -1.384 -39.975 8.481 1.00 73.23 ATOM 1878 N LYS 114 -0.753 -38.566 6.845 1.00 63.53 ATOM 1879 HN LYS 114 -0.238 -37.770 6.596 1.00 37.59 ATOM 1880 CA LYS 114 -1.673 -39.122 5.860 1.00 52.02 ATOM 1881 HA LYS 114 -2.677 -39.041 6.258 1.00 74.24 ATOM 1882 CB LYS 114 -1.579 -38.342 4.547 1.00 55.43 ATOM 1883 HB1 LYS 114 -1.639 -39.034 3.716 1.00 37.59 ATOM 1884 HB2 LYS 114 -0.631 -37.834 4.500 1.00 51.51 ATOM 1885 CG LYS 114 -2.677 -37.305 4.375 1.00 23.43 ATOM 1886 HG1 LYS 114 -2.599 -36.578 5.169 1.00 37.59 ATOM 1887 HG2 LYS 114 -3.639 -37.796 4.435 1.00 32.24 ATOM 1888 CD LYS 114 -2.564 -36.589 3.040 1.00 61.52 ATOM 1889 HD1 LYS 114 -1.568 -36.187 2.931 1.00 37.59 ATOM 1890 HD2 LYS 114 -3.279 -35.779 3.024 1.00 54.50 ATOM 1891 CE LYS 114 -2.850 -37.529 1.878 1.00 11.41 ATOM 1892 HE1 LYS 114 -3.481 -38.345 2.209 1.00 37.59 ATOM 1893 HE2 LYS 114 -1.916 -37.924 1.520 1.00 20.12 ATOM 1894 NZ LYS 114 -3.532 -36.829 0.754 1.00 1.12 ATOM 1895 HZ1 LYS 114 -3.712 -37.497 -0.022 1.00 1.33 ATOM 1896 HZ2 LYS 114 -2.936 -36.054 0.395 1.00 33.14 ATOM 1897 HZ3 LYS 114 -4.442 -36.434 1.072 1.00 61.20 ATOM 1898 C LYS 114 -1.377 -40.597 5.609 1.00 24.11 ATOM 1899 O LYS 114 -2.272 -41.440 5.671 1.00 54.51 ATOM 1900 N TYR 115 -0.115 -40.902 5.328 1.00 61.44 ATOM 1901 HN TYR 115 0.566 -40.189 5.303 1.00 37.59 ATOM 1902 CA TYR 115 0.299 -42.276 5.067 1.00 42.12 ATOM 1903 HA TYR 115 -0.579 -42.894 4.923 1.00 60.31 ATOM 1904 CB TYR 115 1.143 -42.343 3.793 1.00 25.11 ATOM 1905 HB1 TYR 115 1.313 -43.373 3.527 1.00 37.59 ATOM 1906 HB2 TYR 115 2.104 -41.876 3.983 1.00 20.31 ATOM 1907 CG TYR 115 0.515 -41.639 2.612 1.00 12.10 ATOM 1908 CD1 TYR 115 -0.307 -42.324 1.726 1.00 60.40 ATOM 1909 HD1 TYR 115 -0.501 -43.366 1.890 1.00 1.25 ATOM 1910 CD2 TYR 115 0.742 -40.287 2.383 1.00 70.32 ATOM 1911 HD2 TYR 115 1.379 -39.737 3.060 1.00 32.10 ATOM 1912 CE1 TYR 115 -0.883 -41.685 0.645 1.00 3.02 ATOM 1913 HE1 TYR 115 -1.519 -42.236 -0.032 1.00 32.32 ATOM 1914 CE2 TYR 115 0.169 -39.639 1.305 1.00 22.45 ATOM 1915 HE2 TYR 115 0.358 -38.588 1.144 1.00 74.24 ATOM 1916 CZ TYR 115 -0.642 -40.343 0.439 1.00 1.44 ATOM 1917 OH TYR 115 -1.215 -39.702 -0.635 1.00 43.32 ATOM 1918 HH TYR 115 -2.155 -39.574 -0.476 1.00 64.41 ATOM 1919 C TYR 115 1.089 -42.840 6.244 1.00 12.21 ATOM 1920 O TYR 115 0.763 -43.903 6.774 1.00 53.12 ATOM 1921 N LEU 116 2.129 -42.120 6.649 1.00 10.43 ATOM 1922 HN LEU 116 2.334 -41.267 6.195 1.00 37.59 ATOM 1923 CA LEU 116 2.967 -42.546 7.765 1.00 53.10 ATOM 1924 HA LEU 116 3.004 -43.631 7.769 1.00 12.51 ATOM 1925 CB LEU 116 4.393 -42.023 7.586 1.00 0.13 ATOM 1926 HB1 LEU 116 5.013 -42.444 8.367 1.00 37.59 ATOM 1927 HB2 LEU 116 4.364 -40.948 7.716 1.00 32.42 ATOM 1928 CG LEU 116 5.050 -42.313 6.236 1.00 1.04 ATOM 1929 HG LEU 116 4.408 -41.955 5.444 1.00 34.12 ATOM 1930 CD1 LEU 116 6.380 -41.585 6.123 1.00 43.43 ATOM 1931 HD11 LEU 116 7.004 -41.824 6.966 1.00 32.24 ATOM 1932 HD12 LEU 116 6.200 -40.521 6.105 1.00 75.54 ATOM 1933 HD13 LEU 116 6.879 -41.874 5.209 1.00 63.23 ATOM 1934 CD2 LEU 116 5.242 -43.811 6.048 1.00 42.34 ATOM 1935 HD21 LEU 116 5.871 -44.202 6.836 1.00 44.41 ATOM 1936 HD22 LEU 116 5.707 -44.001 5.090 1.00 60.13 ATOM 1937 HD23 LEU 116 4.282 -44.301 6.079 1.00 41.31 ATOM 1938 C LEU 116 2.396 -42.057 9.092 1.00 1.23 ATOM 1939 O LEU 116 2.185 -40.859 9.285 1.00 32.32 ATOM 1940 N TYR 117 2.151 -42.991 10.005 1.00 52.54 ATOM 1941 HN TYR 117 2.412 -43.924 9.817 1.00 37.59 ATOM 1942 CA TYR 117 1.605 -42.655 11.314 1.00 14.22 ATOM 1943 HA TYR 117 2.321 -42.027 11.825 1.00 41.11 ATOM 1944 CB TYR 117 0.291 -41.887 11.160 1.00 13.24 ATOM 1945 HB1 TYR 117 -0.213 -42.165 10.250 1.00 37.59 ATOM 1946 HB2 TYR 117 0.530 -40.833 11.104 1.00 55.41 ATOM 1947 CG TYR 117 -0.650 -42.055 12.332 1.00 22.22 ATOM 1948 CD1 TYR 117 -1.954 -42.496 12.143 1.00 21.35 ATOM 1949 HD1 TYR 117 -2.302 -42.714 11.144 1.00 2.41 ATOM 1950 CD2 TYR 117 -0.235 -41.773 13.628 1.00 51.53 ATOM 1951 HD2 TYR 117 0.776 -41.428 13.796 1.00 31.22 ATOM 1952 CE1 TYR 117 -2.817 -42.651 13.211 1.00 72.11 ATOM 1953 HE1 TYR 117 -3.827 -42.995 13.043 1.00 34.24 ATOM 1954 CE2 TYR 117 -1.091 -41.926 14.701 1.00 1.22 ATOM 1955 HE2 TYR 117 -0.752 -41.698 15.700 1.00 64.40 ATOM 1956 CZ TYR 117 -2.381 -42.365 14.488 1.00 61.13 ATOM 1957 OH TYR 117 -3.237 -42.518 15.554 1.00 1.33 ATOM 1958 HH TYR 117 -3.365 -43.454 15.739 1.00 0.32 ATOM 1959 C TYR 117 1.377 -43.912 12.148 1.00 3.12 ATOM 1960 O TYR 117 1.915 -44.066 13.245 1.00 62.21 ATOM 1961 N PRO 118 0.561 -44.834 11.617 1.00 52.34 ATOM 1962 CA PRO 118 0.243 -46.095 12.293 1.00 4.33 ATOM 1963 HA PRO 118 -0.125 -45.926 13.295 1.00 41.24 ATOM 1964 CB PRO 118 -0.872 -46.689 11.430 1.00 33.33 ATOM 1965 HB1 PRO 118 -1.829 -46.397 11.835 1.00 37.59 ATOM 1966 HB2 PRO 118 -0.807 -47.765 11.408 1.00 32.10 ATOM 1967 CG PRO 118 -0.663 -46.097 10.080 1.00 52.34 ATOM 1968 HG1 PRO 118 -1.604 -46.042 9.553 1.00 37.59 ATOM 1969 HG2 PRO 118 0.046 -46.693 9.523 1.00 45.10 ATOM 1970 CD PRO 118 -0.115 -44.716 10.314 1.00 70.15 ATOM 1971 HD1 PRO 118 -0.927 -44.032 10.344 1.00 37.59 ATOM 1972 HD2 PRO 118 0.556 -44.470 9.520 1.00 13.50 ATOM 1973 C PRO 118 1.438 -47.041 12.346 1.00 71.02 ATOM 1974 O PRO 118 1.536 -47.884 13.238 1.00 11.21 ATOM 1975 N TYR 119 2.344 -46.896 11.385 1.00 30.33 ATOM 1976 HN TYR 119 2.215 -46.211 10.689 1.00 37.59 ATOM 1977 CA TYR 119 3.531 -47.740 11.321 1.00 5.13 ATOM 1978 HA TYR 119 3.221 -48.768 11.431 1.00 10.40 ATOM 1979 CB TYR 119 4.235 -47.565 9.974 1.00 32.33 ATOM 1980 HB1 TYR 119 4.779 -46.627 9.965 1.00 37.59 ATOM 1981 HB2 TYR 119 3.486 -47.539 9.193 1.00 41.40 ATOM 1982 CG TYR 119 5.191 -48.688 9.640 1.00 33.23 ATOM 1983 CD1 TYR 119 6.533 -48.432 9.389 1.00 23.15 ATOM 1984 HD1 TYR 119 6.890 -47.421 9.425 1.00 50.45 ATOM 1985 CD2 TYR 119 4.752 -50.005 9.575 1.00 54.45 ATOM 1986 HD2 TYR 119 3.721 -50.226 9.772 1.00 64.34 ATOM 1987 CE1 TYR 119 7.410 -49.455 9.083 1.00 4.43 ATOM 1988 HE1 TYR 119 8.444 -49.245 8.905 1.00 74.04 ATOM 1989 CE2 TYR 119 5.622 -51.034 9.271 1.00 52.55 ATOM 1990 HE2 TYR 119 5.261 -52.051 9.226 1.00 45.43 ATOM 1991 CZ TYR 119 6.950 -50.754 9.026 1.00 40.55 ATOM 1992 OH TYR 119 7.820 -51.776 8.721 1.00 53.50 ATOM 1993 HH TYR 119 8.400 -51.946 9.470 1.00 62.24 ATOM 1994 C TYR 119 4.495 -47.411 12.457 1.00 3.13 ATOM 1995 O TYR 119 4.981 -48.303 13.151 1.00 31.52 ATOM 1996 N GLU 120 4.766 -46.122 12.640 1.00 22.33 ATOM 1997 HN GLU 120 4.344 -45.449 12.053 1.00 37.59 ATOM 1998 CA GLU 120 5.672 -45.675 13.692 1.00 50.32 ATOM 1999 HA GLU 120 6.570 -46.279 13.649 1.00 14.34 ATOM 2000 CB GLU 120 6.058 -44.210 13.474 1.00 33.10 ATOM 2001 HB1 GLU 120 6.383 -44.076 12.459 1.00 37.59 ATOM 2002 HB2 GLU 120 6.874 -43.965 14.138 1.00 4.33 ATOM 2003 CG GLU 120 4.920 -43.236 13.731 1.00 20.32 ATOM 2004 HG1 GLU 120 4.562 -43.348 14.740 1.00 37.59 ATOM 2005 HG2 GLU 120 4.128 -43.446 13.039 1.00 60.04 ATOM 2006 CD GLU 120 5.338 -41.790 13.549 1.00 74.01 ATOM 2007 OE1 GLU 120 4.456 -40.946 13.288 1.00 54.33 ATOM 2008 OE2 GLU 120 6.547 -41.503 13.668 1.00 43.01 ATOM 2009 C GLU 120 5.035 -45.845 15.068 1.00 54.02 ATOM 2010 O GLU 120 5.716 -46.159 16.045 1.00 50.53 ATOM 2011 N CYS 121 3.725 -45.636 15.136 1.00 13.43 ATOM 2012 HN CYS 121 3.228 -45.379 14.324 1.00 37.59 ATOM 2013 CA CYS 121 2.994 -45.764 16.392 1.00 25.35 ATOM 2014 HA CYS 121 3.549 -45.240 17.156 1.00 73.33 ATOM 2015 CB CYS 121 1.604 -45.140 16.264 1.00 22.04 ATOM 2016 HB1 CYS 121 0.960 -45.516 17.050 1.00 37.59 ATOM 2017 HB2 CYS 121 1.181 -45.406 15.307 1.00 43.10 ATOM 2018 SG CYS 121 1.591 -43.336 16.384 1.00 2.11 ATOM 2019 HG CYS 121 2.390 -42.987 17.382 1.00 4.45 ATOM 2020 C CYS 121 2.872 -47.228 16.803 1.00 61.23 ATOM 2021 O CYS 121 2.928 -47.557 17.987 1.00 1.01 ATOM 2022 N GLU 122 2.703 -48.102 15.815 1.00 23.13 ATOM 2023 HN GLU 122 2.662 -47.786 14.882 1.00 37.59 ATOM 2024 CA GLU 122 2.570 -49.531 16.075 1.00 44.21 ATOM 2025 HA GLU 122 1.987 -49.661 16.981 1.00 72.30 ATOM 2026 CB GLU 122 1.840 -50.216 14.918 1.00 34.14 ATOM 2027 HB1 GLU 122 2.481 -50.227 14.046 1.00 37.59 ATOM 2028 HB2 GLU 122 0.951 -49.646 14.686 1.00 10.01 ATOM 2029 CG GLU 122 1.425 -51.646 15.222 1.00 23.12 ATOM 2030 HG1 GLU 122 2.195 -52.142 15.797 1.00 37.59 ATOM 2031 HG2 GLU 122 1.296 -52.168 14.285 1.00 50.43 ATOM 2032 CD GLU 122 0.120 -51.725 15.990 1.00 52.34 ATOM 2033 OE1 GLU 122 -0.946 -51.797 15.343 1.00 42.22 ATOM 2034 OE2 GLU 122 0.165 -51.714 17.238 1.00 75.33 ATOM 2035 C GLU 122 3.938 -50.176 16.280 1.00 11.05 ATOM 2036 O GLU 122 4.145 -50.931 17.231 1.00 11.41 ATOM 2037 N LYS 123 4.869 -49.874 15.382 1.00 70.11 ATOM 2038 HN LYS 123 4.645 -49.264 14.641 1.00 37.59 ATOM 2039 CA LYS 123 6.218 -50.423 15.463 1.00 55.51 ATOM 2040 HA LYS 123 6.141 -51.492 15.599 1.00 10.12 ATOM 2041 CB LYS 123 6.985 -50.135 14.171 1.00 65.43 ATOM 2042 HB1 LYS 123 8.012 -50.463 14.288 1.00 37.59 ATOM 2043 HB2 LYS 123 6.987 -49.072 13.994 1.00 75.40 ATOM 2044 CG LYS 123 6.404 -50.829 12.951 1.00 41.12 ATOM 2045 HG1 LYS 123 6.881 -50.430 12.067 1.00 37.59 ATOM 2046 HG2 LYS 123 5.342 -50.629 12.906 1.00 24.34 ATOM 2047 CD LYS 123 6.637 -52.330 12.999 1.00 54.20 ATOM 2048 HD1 LYS 123 6.769 -52.666 14.017 1.00 37.59 ATOM 2049 HD2 LYS 123 7.528 -52.557 12.434 1.00 21.02 ATOM 2050 CE LYS 123 5.473 -53.094 12.386 1.00 43.14 ATOM 2051 HE1 LYS 123 5.220 -52.656 11.431 1.00 37.59 ATOM 2052 HE2 LYS 123 4.624 -53.022 13.048 1.00 15.21 ATOM 2053 NZ LYS 123 5.801 -54.532 12.179 1.00 4.23 ATOM 2054 HZ1 LYS 123 6.616 -54.629 11.537 1.00 71.14 ATOM 2055 HZ2 LYS 123 4.987 -55.024 11.759 1.00 12.02 ATOM 2056 HZ3 LYS 123 6.032 -54.985 13.088 1.00 0.23 ATOM 2057 C LYS 123 6.971 -49.840 16.655 1.00 60.35 ATOM 2058 O LYS 123 7.757 -50.532 17.302 1.00 35.43 ATOM 2059 N ARG 124 6.725 -48.565 16.939 1.00 64.54 ATOM 2060 HN ARG 124 6.097 -48.047 16.388 1.00 37.59 ATOM 2061 CA ARG 124 7.381 -47.891 18.053 1.00 72.13 ATOM 2062 HA ARG 124 8.064 -48.582 18.535 1.00 24.13 ATOM 2063 CB ARG 124 8.165 -46.677 17.552 1.00 64.25 ATOM 2064 HB1 ARG 124 7.873 -45.782 18.084 1.00 37.59 ATOM 2065 HB2 ARG 124 7.958 -46.530 16.503 1.00 1.50 ATOM 2066 CG ARG 124 9.672 -46.829 17.684 1.00 40.04 ATOM 2067 HG1 ARG 124 10.146 -46.029 17.133 1.00 37.59 ATOM 2068 HG2 ARG 124 9.972 -47.780 17.265 1.00 23.14 ATOM 2069 CD ARG 124 10.113 -46.768 19.138 1.00 74.42 ATOM 2070 HD1 ARG 124 10.206 -47.777 19.512 1.00 37.59 ATOM 2071 HD2 ARG 124 9.367 -46.237 19.720 1.00 34.42 ATOM 2072 NE ARG 124 11.396 -46.089 19.293 1.00 51.40 ATOM 2073 HE ARG 124 11.891 -45.844 18.476 1.00 11.12 ATOM 2074 CZ ARG 124 11.930 -45.788 20.471 1.00 3.43 ATOM 2075 NH1 ARG 124 11.296 -46.105 21.591 1.00 13.13 ATOM 2076 HH11 ARG 124 10.414 -46.573 21.576 1.00 11.44 ATOM 2077 HH12 ARG 124 11.707 -45.872 22.475 1.00 32.23 ATOM 2078 NH2 ARG 124 13.102 -45.168 20.531 1.00 63.22 ATOM 2079 HH21 ARG 124 13.587 -44.925 19.688 1.00 53.44 ATOM 2080 HH22 ARG 124 13.507 -44.940 21.419 1.00 45.02 ATOM 2081 C ARG 124 6.360 -47.454 19.100 1.00 45.34 ATOM 2082 O ARG 124 6.271 -48.041 20.177 1.00 11.31 ATOM 2083 N GLY 125 5.593 -46.418 18.774 1.00 0.23 ATOM 2084 HN GLY 125 5.678 -45.991 17.893 1.00 37.59 ATOM 2085 CA GLY 125 4.590 -45.919 19.697 1.00 40.01 ATOM 2086 HA1 GLY 125 4.213 -46.728 20.311 1.00 37.59 ATOM 2087 HA2 GLY 125 3.769 -45.513 19.133 1.00 24.42 ATOM 2088 C GLY 125 5.128 -44.831 20.605 1.00 54.20 ATOM 2089 O GLY 125 4.633 -44.639 21.717 1.00 52.45 ATOM 2090 N LEU 126 6.144 -44.118 20.133 1.00 1.52 ATOM 2091 HN LEU 126 6.456 -44.283 19.218 1.00 37.59 ATOM 2092 CA LEU 126 6.751 -43.043 20.911 1.00 21.12 ATOM 2093 HA LEU 126 7.251 -43.488 21.759 1.00 62.14 ATOM 2094 CB LEU 126 7.781 -42.293 20.065 1.00 55.55 ATOM 2095 HB1 LEU 126 8.336 -41.644 20.730 1.00 37.59 ATOM 2096 HB2 LEU 126 7.239 -41.660 19.367 1.00 62.12 ATOM 2097 CG LEU 126 8.764 -43.160 19.278 1.00 21.25 ATOM 2098 HG LEU 126 8.515 -44.204 19.384 1.00 5.33 ATOM 2099 CD1 LEU 126 8.707 -42.823 17.797 1.00 42.24 ATOM 2100 HD11 LEU 126 7.689 -42.920 17.442 1.00 52.05 ATOM 2101 HD12 LEU 126 9.336 -43.511 17.251 1.00 63.42 ATOM 2102 HD13 LEU 126 9.050 -41.825 17.624 1.00 1.14 ATOM 2103 CD2 LEU 126 10.177 -42.983 19.814 1.00 44.12 ATOM 2104 HD21 LEU 126 10.866 -43.571 19.226 1.00 45.43 ATOM 2105 HD22 LEU 126 10.217 -43.312 20.842 1.00 73.22 ATOM 2106 HD23 LEU 126 10.461 -41.942 19.760 1.00 15.21 ATOM 2107 C LEU 126 5.690 -42.073 21.420 1.00 10.14 ATOM 2108 O LEU 126 5.665 -41.729 22.602 1.00 42.30 ATOM 2109 N SER 127 4.814 -41.637 20.521 1.00 35.21 ATOM 2110 HN SER 127 4.874 -41.948 19.588 1.00 37.59 ATOM 2111 CA SER 127 3.750 -40.705 20.879 1.00 65.41 ATOM 2112 HA SER 127 3.899 -40.364 21.897 1.00 52.23 ATOM 2113 CB SER 127 3.783 -39.484 19.958 1.00 11.23 ATOM 2114 HB1 SER 127 4.608 -38.846 20.240 1.00 37.59 ATOM 2115 HB2 SER 127 2.864 -38.944 20.060 1.00 21.15 ATOM 2116 OG SER 127 3.948 -39.870 18.605 1.00 53.52 ATOM 2117 HG SER 127 3.103 -40.151 18.243 1.00 13.13 ATOM 2118 C SER 127 2.385 -41.382 20.797 1.00 2.55 ATOM 2119 O SER 127 2.221 -42.392 20.116 1.00 72.23 ATOM 2120 N ASN 128 1.409 -40.815 21.499 1.00 54.03 ATOM 2121 HN ASN 128 1.598 -40.019 22.011 1.00 37.59 ATOM 2122 CA ASN 128 0.057 -41.363 21.507 1.00 11.52 ATOM 2123 HA ASN 128 0.099 -42.379 21.137 1.00 12.55 ATOM 2124 CB ASN 128 -0.494 -41.395 22.934 1.00 24.33 ATOM 2125 HB1 ASN 128 -1.061 -42.301 23.069 1.00 37.59 ATOM 2126 HB2 ASN 128 -1.145 -40.546 23.107 1.00 11.41 ATOM 2127 CG ASN 128 0.606 -41.383 23.979 1.00 40.54 ATOM 2128 OD1 ASN 128 1.296 -42.382 24.182 1.00 42.44 ATOM 2129 ND2 ASN 128 0.774 -40.247 24.647 1.00 33.52 ATOM 2130 HD21 ASN 128 0.194 -39.479 24.443 1.00 32.35 ATOM 2131 HD22 ASN 128 1.480 -40.219 25.327 1.00 71.34 ATOM 2132 C ASN 128 -0.868 -40.543 20.612 1.00 4.33 ATOM 2133 O ASN 128 -0.602 -39.382 20.300 1.00 4.24 ATOM 2134 N PRO 129 -1.981 -41.159 20.189 1.00 31.40 ATOM 2135 CA PRO 129 -2.968 -40.505 19.325 1.00 35.42 ATOM 2136 HA PRO 129 -2.509 -40.095 18.437 1.00 75.30 ATOM 2137 CB PRO 129 -3.911 -41.647 18.936 1.00 64.23 ATOM 2138 HB1 PRO 129 -3.587 -42.072 17.998 1.00 37.59 ATOM 2139 HB2 PRO 129 -4.929 -41.291 18.836 1.00 40.40 ATOM 2140 CG PRO 129 -3.784 -42.637 20.042 1.00 12.32 ATOM 2141 HG1 PRO 129 -3.988 -43.630 19.671 1.00 37.59 ATOM 2142 HG2 PRO 129 -4.467 -42.386 20.840 1.00 54.02 ATOM 2143 CD PRO 129 -2.362 -42.542 20.522 1.00 71.33 ATOM 2144 HD1 PRO 129 -1.738 -43.253 19.999 1.00 37.59 ATOM 2145 HD2 PRO 129 -2.332 -42.720 21.578 1.00 12.32 ATOM 2146 C PRO 129 -3.736 -39.406 20.051 1.00 1.31 ATOM 2147 O PRO 129 -4.488 -38.651 19.436 1.00 3.10 ATOM 2148 N ASN 130 -3.540 -39.321 21.363 1.00 33.00 ATOM 2149 HN ASN 130 -2.965 -39.963 21.822 1.00 37.59 ATOM 2150 CA ASN 130 -4.215 -38.313 22.173 1.00 44.22 ATOM 2151 HA ASN 130 -5.181 -38.098 21.727 1.00 71.53 ATOM 2152 CB ASN 130 -4.425 -38.830 23.597 1.00 2.14 ATOM 2153 HB1 ASN 130 -4.420 -37.998 24.292 1.00 37.59 ATOM 2154 HB2 ASN 130 -3.620 -39.503 23.861 1.00 55.43 ATOM 2155 CG ASN 130 -5.748 -39.553 23.761 1.00 42.12 ATOM 2156 OD1 ASN 130 -6.811 -38.932 23.769 1.00 5.53 ATOM 2157 ND2 ASN 130 -5.688 -40.873 23.892 1.00 71.12 ATOM 2158 HD21 ASN 130 -4.811 -41.319 23.878 1.00 54.21 ATOM 2159 HD22 ASN 130 -6.533 -41.358 23.999 1.00 4.43 ATOM 2160 C ASN 130 -3.413 -37.015 22.204 1.00 53.10 ATOM 2161 O ASN 130 -3.971 -35.927 22.066 1.00 41.23 ATOM 2162 N GLU 131 -2.102 -37.139 22.386 1.00 73.41 ATOM 2163 HN GLU 131 -1.724 -38.037 22.513 1.00 37.59 ATOM 2164 CA GLU 131 -1.225 -35.976 22.435 1.00 2.13 ATOM 2165 HA GLU 131 -1.658 -35.251 23.113 1.00 72.55 ATOM 2166 CB GLU 131 0.156 -36.373 22.962 1.00 40.32 ATOM 2167 HB1 GLU 131 0.047 -36.739 23.972 1.00 37.59 ATOM 2168 HB2 GLU 131 0.793 -35.497 22.976 1.00 13.43 ATOM 2169 CG GLU 131 0.834 -37.455 22.138 1.00 35.02 ATOM 2170 HG1 GLU 131 0.850 -37.168 21.104 1.00 37.59 ATOM 2171 HG2 GLU 131 0.279 -38.366 22.251 1.00 34.01 ATOM 2172 CD GLU 131 2.260 -37.718 22.581 1.00 51.13 ATOM 2173 OE1 GLU 131 2.446 -38.289 23.675 1.00 4.34 ATOM 2174 OE2 GLU 131 3.190 -37.353 21.831 1.00 13.41 ATOM 2175 C GLU 131 -1.091 -35.337 21.056 1.00 2.41 ATOM 2176 O GLU 131 -0.963 -34.118 20.934 1.00 11.51 ATOM 2177 N LEU 132 -1.120 -36.168 20.020 1.00 13.52 ATOM 2178 HN LEU 132 -1.199 -37.138 20.174 1.00 37.59 ATOM 2179 CA LEU 132 -1.002 -35.685 18.649 1.00 42.14 ATOM 2180 HA LEU 132 -0.008 -35.292 18.522 1.00 42.25 ATOM 2181 CB LEU 132 -1.221 -36.833 17.662 1.00 21.32 ATOM 2182 HB1 LEU 132 -2.176 -37.287 17.894 1.00 37.59 ATOM 2183 HB2 LEU 132 -0.447 -37.570 17.831 1.00 1.14 ATOM 2184 CG LEU 132 -1.217 -36.456 16.181 1.00 44.45 ATOM 2185 HG LEU 132 -1.979 -35.726 16.003 1.00 41.03 ATOM 2186 CD1 LEU 132 0.128 -35.865 15.784 1.00 33.40 ATOM 2187 HD11 LEU 132 0.350 -35.002 16.394 1.00 33.14 ATOM 2188 HD12 LEU 132 0.093 -35.561 14.747 1.00 62.24 ATOM 2189 HD13 LEU 132 0.904 -36.606 15.909 1.00 14.22 ATOM 2190 CD2 LEU 132 -1.544 -37.667 15.320 1.00 22.42 ATOM 2191 HD21 LEU 132 -2.537 -38.022 15.558 1.00 13.41 ATOM 2192 HD22 LEU 132 -0.826 -38.453 15.508 1.00 11.30 ATOM 2193 HD23 LEU 132 -1.504 -37.392 14.282 1.00 43.45 ATOM 2194 C LEU 132 -2.004 -34.567 18.376 1.00 24.31 ATOM 2195 O LEU 132 -1.633 -33.489 17.914 1.00 0.54 ATOM 2196 N GLN 133 -3.273 -34.833 18.667 1.00 22.42 ATOM 2197 HN GLN 133 -3.508 -35.720 19.032 1.00 37.59 ATOM 2198 CA GLN 133 -4.327 -33.849 18.455 1.00 73.03 ATOM 2199 HA GLN 133 -4.409 -33.685 17.390 1.00 41.13 ATOM 2200 CB GLN 133 -5.660 -34.374 18.992 1.00 2.10 ATOM 2201 HB1 GLN 133 -5.646 -34.351 20.074 1.00 37.59 ATOM 2202 HB2 GLN 133 -5.784 -35.401 18.672 1.00 42.42 ATOM 2203 CG GLN 133 -6.864 -33.578 18.515 1.00 0.03 ATOM 2204 HG1 GLN 133 -6.721 -32.536 18.767 1.00 37.59 ATOM 2205 HG2 GLN 133 -7.742 -33.949 19.023 1.00 2.33 ATOM 2206 CD GLN 133 -7.090 -33.700 17.021 1.00 31.43 ATOM 2207 OE1 GLN 133 -7.714 -34.653 16.552 1.00 13.52 ATOM 2208 NE2 GLN 133 -6.583 -32.735 16.264 1.00 3.53 ATOM 2209 HE21 GLN 133 -6.093 -31.997 16.693 1.00 1.52 ATOM 2210 HE22 GLN 133 -6.719 -32.797 15.295 1.00 52.25 ATOM 2211 C GLN 133 -3.980 -32.525 19.128 1.00 70.40 ATOM 2212 O GLN 133 -4.079 -31.462 18.516 1.00 33.15 ATOM 2213 N ALA 134 -3.573 -32.598 20.391 1.00 61.41 ATOM 2214 HN ALA 134 -3.519 -33.480 20.831 1.00 37.59 ATOM 2215 CA ALA 134 -3.209 -31.406 21.147 1.00 74.24 ATOM 2216 HA ALA 134 -4.068 -30.748 21.174 1.00 24.23 ATOM 2217 CB ALA 134 -2.858 -31.776 22.580 1.00 61.51 ATOM 2218 HB1 ALA 134 -2.646 -30.880 23.146 1.00 11.45 ATOM 2219 HB2 ALA 134 -1.990 -32.421 22.588 1.00 23.22 ATOM 2220 HB3 ALA 134 -3.692 -32.294 23.030 1.00 64.33 ATOM 2221 C ALA 134 -2.047 -30.672 20.488 1.00 43.24 ATOM 2222 O ALA 134 -2.047 -29.445 20.396 1.00 55.33 ATOM 2223 N ALA 135 -1.056 -31.431 20.031 1.00 0.01 ATOM 2224 HN ALA 135 -1.102 -32.410 20.144 1.00 37.59 ATOM 2225 CA ALA 135 0.112 -30.852 19.380 1.00 43.15 ATOM 2226 HA ALA 135 0.613 -30.211 20.093 1.00 53.42 ATOM 2227 CB ALA 135 1.085 -31.948 18.970 1.00 42.55 ATOM 2228 HB1 ALA 135 1.982 -31.503 18.564 1.00 72.44 ATOM 2229 HB2 ALA 135 0.629 -32.583 18.224 1.00 73.21 ATOM 2230 HB3 ALA 135 1.341 -32.541 19.836 1.00 75.22 ATOM 2231 C ALA 135 -0.291 -30.020 18.167 1.00 15.53 ATOM 2232 O ALA 135 0.154 -28.883 18.007 1.00 11.32 ATOM 2233 N ILE 136 -1.136 -30.593 17.317 1.00 40.34 ATOM 2234 HN ILE 136 -1.458 -31.509 17.497 1.00 37.59 ATOM 2235 CA ILE 136 -1.599 -29.903 16.119 1.00 13.42 ATOM 2236 HA ILE 136 -0.732 -29.608 15.542 1.00 12.12 ATOM 2237 CB ILE 136 -2.479 -30.818 15.247 1.00 12.51 ATOM 2238 HB ILE 136 -3.252 -31.229 15.880 1.00 61.40 ATOM 2239 CG1 ILE 136 -1.639 -31.944 14.642 1.00 30.34 ATOM 2240 HG11 ILE 136 -0.618 -31.883 15.000 1.00 37.59 ATOM 2241 HG12 ILE 136 -1.630 -31.863 13.563 1.00 5.24 ATOM 2242 CG2 ILE 136 -3.160 -30.010 14.152 1.00 63.44 ATOM 2243 HG21 ILE 136 -4.020 -29.501 14.562 1.00 50.01 ATOM 2244 HG22 ILE 136 -3.493 -30.667 13.358 1.00 30.45 ATOM 2245 HG23 ILE 136 -2.476 -29.280 13.743 1.00 21.40 ATOM 2246 CD1 ILE 136 -2.150 -33.327 14.980 1.00 33.31 ATOM 2247 HD11 ILE 136 -1.544 -33.734 15.757 1.00 53.10 ATOM 2248 HD12 ILE 136 -2.073 -33.955 14.111 1.00 3.12 ATOM 2249 HD13 ILE 136 -3.182 -33.293 15.304 1.00 54.13 ATOM 2250 C ILE 136 -2.389 -28.649 16.478 1.00 10.44 ATOM 2251 O ILE 136 -2.110 -27.561 15.974 1.00 44.11 ATOM 2252 N ASP 137 -3.375 -28.808 17.354 1.00 0.23 ATOM 2253 HN ASP 137 -3.555 -29.708 17.719 1.00 37.59 ATOM 2254 CA ASP 137 -4.204 -27.688 17.784 1.00 11.32 ATOM 2255 HA ASP 137 -4.795 -27.375 16.958 1.00 23.30 ATOM 2256 CB ASP 137 -5.150 -28.126 18.904 1.00 43.33 ATOM 2257 HB1 ASP 137 -4.626 -28.792 19.576 1.00 37.59 ATOM 2258 HB2 ASP 137 -5.991 -28.648 18.472 1.00 75.11 ATOM 2259 CG ASP 137 -5.677 -26.954 19.708 1.00 50.42 ATOM 2260 OD1 ASP 137 -6.644 -26.309 19.252 1.00 74.22 ATOM 2261 OD2 ASP 137 -5.122 -26.680 20.793 1.00 62.23 ATOM 2262 C ASP 137 -3.341 -26.523 18.258 1.00 44.45 ATOM 2263 O ASP 137 -3.586 -25.370 17.901 1.00 31.23 ATOM 2264 N SER 138 -2.329 -26.831 19.063 1.00 34.22 ATOM 2265 HN SER 138 -2.184 -27.773 19.320 1.00 37.59 ATOM 2266 CA SER 138 -1.432 -25.809 19.590 1.00 72.24 ATOM 2267 HA SER 138 -2.018 -25.119 20.181 1.00 3.45 ATOM 2268 CB SER 138 -0.369 -26.447 20.486 1.00 12.44 ATOM 2269 HB1 SER 138 0.492 -25.793 20.566 1.00 37.59 ATOM 2270 HB2 SER 138 -0.058 -27.392 20.065 1.00 13.14 ATOM 2271 OG SER 138 -0.872 -26.674 21.792 1.00 53.55 ATOM 2272 HG SER 138 -1.398 -27.478 21.801 1.00 53.21 ATOM 2273 C SER 138 -0.762 -25.039 18.456 1.00 11.52 ATOM 2274 O SER 138 -0.486 -23.846 18.580 1.00 32.11 ATOM 2275 N ASN 139 -0.503 -25.730 17.351 1.00 52.00 ATOM 2276 HN ASN 139 -0.728 -26.684 17.309 1.00 37.59 ATOM 2277 CA ASN 139 0.135 -25.112 16.195 1.00 42.24 ATOM 2278 HA ASN 139 0.873 -24.399 16.550 1.00 74.11 ATOM 2279 CB ASN 139 0.832 -26.174 15.342 1.00 23.12 ATOM 2280 HB1 ASN 139 0.853 -25.860 14.305 1.00 37.59 ATOM 2281 HB2 ASN 139 0.292 -27.107 15.412 1.00 45.20 ATOM 2282 CG ASN 139 2.264 -26.417 15.778 1.00 44.30 ATOM 2283 OD1 ASN 139 3.205 -25.902 15.173 1.00 52.12 ATOM 2284 ND2 ASN 139 2.436 -27.205 16.833 1.00 2.30 ATOM 2285 HD21 ASN 139 1.647 -27.590 17.278 1.00 33.23 ATOM 2286 HD22 ASN 139 3.354 -27.374 17.130 1.00 53.14 ATOM 2287 C ASN 139 -0.885 -24.355 15.350 1.00 72.02 ATOM 2288 O ASN 139 -0.763 -23.147 15.145 1.00 34.14 ATOM 2289 N ARG 140 -1.891 -25.074 14.862 1.00 10.20 ATOM 2290 HN ARG 140 -1.931 -26.039 15.056 1.00 37.59 ATOM 2291 CA ARG 140 -2.932 -24.471 14.039 1.00 54.30 ATOM 2292 HA ARG 140 -2.473 -24.110 13.130 1.00 31.42 ATOM 2293 CB ARG 140 -3.993 -25.512 13.677 1.00 40.01 ATOM 2294 HB1 ARG 140 -3.503 -26.341 13.185 1.00 37.59 ATOM 2295 HB2 ARG 140 -4.684 -25.058 12.979 1.00 22.52 ATOM 2296 CG ARG 140 -4.750 -26.053 14.878 1.00 32.35 ATOM 2297 HG1 ARG 140 -4.531 -25.500 15.765 1.00 37.59 ATOM 2298 HG2 ARG 140 -4.450 -27.078 15.018 1.00 15.22 ATOM 2299 CD ARG 140 -6.253 -26.032 14.646 1.00 62.33 ATOM 2300 HD1 ARG 140 -6.596 -25.008 14.691 1.00 37.59 ATOM 2301 HD2 ARG 140 -6.732 -26.606 15.427 1.00 34.44 ATOM 2302 NE ARG 140 -6.614 -26.599 13.349 1.00 42.21 ATOM 2303 HE ARG 140 -5.895 -26.928 12.763 1.00 34.34 ATOM 2304 CZ ARG 140 -7.866 -26.712 12.919 1.00 45.40 ATOM 2305 NH1 ARG 140 -8.871 -26.299 13.679 1.00 44.44 ATOM 2306 HH11 ARG 140 -8.710 -25.899 14.580 1.00 14.41 ATOM 2307 HH12 ARG 140 -9.813 -26.388 13.347 1.00 53.50 ATOM 2308 NH2 ARG 140 -8.114 -27.238 11.726 1.00 1.15 ATOM 2309 HH21 ARG 140 -7.359 -27.551 11.147 1.00 63.21 ATOM 2310 HH22 ARG 140 -9.058 -27.325 11.399 1.00 51.51 ATOM 2311 C ARG 140 -3.584 -23.295 14.762 1.00 70.43 ATOM 2312 O ARG 140 -4.150 -22.403 14.131 1.00 55.23 ATOM 2313 N ARG 141 -3.500 -23.303 16.088 1.00 2.30 ATOM 2314 HN ARG 141 -3.094 -24.065 16.554 1.00 37.59 ATOM 2315 CA ARG 141 -4.083 -22.239 16.896 1.00 4.44 ATOM 2316 HA ARG 141 -5.136 -22.170 16.656 1.00 33.11 ATOM 2317 CB ARG 141 -3.938 -22.562 18.385 1.00 45.14 ATOM 2318 HB1 ARG 141 -2.909 -22.821 18.591 1.00 37.59 ATOM 2319 HB2 ARG 141 -4.571 -23.406 18.613 1.00 72.30 ATOM 2320 CG ARG 141 -4.342 -21.417 19.299 1.00 44.11 ATOM 2321 HG1 ARG 141 -5.354 -21.117 19.065 1.00 37.59 ATOM 2322 HG2 ARG 141 -3.673 -20.584 19.145 1.00 74.50 ATOM 2323 CD ARG 141 -4.261 -21.818 20.763 1.00 24.24 ATOM 2324 HD1 ARG 141 -4.006 -20.945 21.347 1.00 37.59 ATOM 2325 HD2 ARG 141 -3.484 -22.562 20.894 1.00 42.34 ATOM 2326 NE ARG 141 -5.523 -22.369 21.251 1.00 44.53 ATOM 2327 HE ARG 141 -5.556 -23.335 21.425 1.00 13.43 ATOM 2328 CZ ARG 141 -6.609 -21.636 21.467 1.00 52.33 ATOM 2329 NH1 ARG 141 -6.588 -20.330 21.239 1.00 11.32 ATOM 2330 HH11 ARG 141 -5.772 -19.866 20.908 1.00 44.03 ATOM 2331 HH12 ARG 141 -7.416 -19.789 21.403 1.00 71.35 ATOM 2332 NH2 ARG 141 -7.720 -22.209 21.911 1.00 73.34 ATOM 2333 HH21 ARG 141 -7.743 -23.196 22.085 1.00 11.30 ATOM 2334 HH22 ARG 141 -8.541 -21.658 22.075 1.00 34.10 ATOM 2335 C ARG 141 -3.421 -20.898 16.589 1.00 33.23 ATOM 2336 O ARG 141 -4.101 -19.904 16.335 1.00 22.34 ATOM 2337 N GLU 142 -2.092 -20.880 16.615 1.00 33.03 ATOM 2338 HN GLU 142 -1.603 -21.710 16.834 1.00 37.59 ATOM 2339 CA GLU 142 -1.340 -19.661 16.341 1.00 72.30 ATOM 2340 HA GLU 142 -1.582 -18.946 17.120 1.00 31.30 ATOM 2341 CB GLU 142 0.163 -19.948 16.360 1.00 12.34 ATOM 2342 HB1 GLU 142 0.656 -19.374 15.584 1.00 37.59 ATOM 2343 HB2 GLU 142 0.326 -20.999 16.162 1.00 3.05 ATOM 2344 CG GLU 142 0.832 -19.598 17.679 1.00 41.52 ATOM 2345 HG1 GLU 142 0.293 -20.078 18.485 1.00 37.59 ATOM 2346 HG2 GLU 142 0.798 -18.527 17.812 1.00 14.32 ATOM 2347 CD GLU 142 2.280 -20.046 17.735 1.00 14.43 ATOM 2348 OE1 GLU 142 2.627 -21.023 17.039 1.00 15.52 ATOM 2349 OE2 GLU 142 3.066 -19.418 18.476 1.00 73.40 ATOM 2350 C GLU 142 -1.739 -19.068 14.993 1.00 44.13 ATOM 2351 O GLU 142 -1.984 -19.794 14.031 1.00 75.42 ATOM 2352 N GLY 143 -1.801 -17.741 14.932 1.00 64.15 ATOM 2353 HN GLY 143 -1.589 -17.211 15.735 1.00 37.59 ATOM 2354 CA GLY 143 -2.170 -17.072 13.698 1.00 51.20 ATOM 2355 HA1 GLY 143 -2.911 -17.661 13.169 1.00 37.59 ATOM 2356 HA2 GLY 143 -1.292 -16.981 13.077 1.00 63.31 ATOM 2357 C GLY 143 -2.741 -15.688 13.938 1.00 71.34 ATOM 2358 O GLY 143 -3.796 -15.344 13.404 1.00 1.14 ATOM 2359 N ARG 144 -2.044 -14.894 14.743 1.00 10.41 ATOM 2360 HN ARG 144 -1.210 -15.233 15.135 1.00 37.59 ATOM 2361 CA ARG 144 -2.490 -13.541 15.055 1.00 44.24 ATOM 2362 HA ARG 144 -3.544 -13.576 15.304 1.00 74.43 ATOM 2363 CB ARG 144 -1.722 -12.993 16.259 1.00 41.20 ATOM 2364 HB1 ARG 144 -1.948 -13.624 17.107 1.00 37.59 ATOM 2365 HB2 ARG 144 -2.062 -11.989 16.474 1.00 52.23 ATOM 2366 CG ARG 144 -0.216 -12.956 16.056 1.00 20.20 ATOM 2367 HG1 ARG 144 0.042 -12.027 15.569 1.00 37.59 ATOM 2368 HG2 ARG 144 0.101 -13.778 15.433 1.00 24.31 ATOM 2369 CD ARG 144 0.527 -13.050 17.380 1.00 70.25 ATOM 2370 HD1 ARG 144 1.392 -13.681 17.235 1.00 37.59 ATOM 2371 HD2 ARG 144 -0.107 -13.493 18.138 1.00 4.01 ATOM 2372 NE ARG 144 0.981 -11.743 17.847 1.00 72.05 ATOM 2373 HE ARG 144 0.759 -10.953 17.301 1.00 13.42 ATOM 2374 CZ ARG 144 1.673 -11.562 18.966 1.00 61.13 ATOM 2375 NH1 ARG 144 1.990 -12.600 19.728 1.00 13.53 ATOM 2376 HH11 ARG 144 1.719 -13.529 19.480 1.00 35.53 ATOM 2377 HH12 ARG 144 2.513 -12.455 20.571 1.00 41.30 ATOM 2378 NH2 ARG 144 2.050 -10.341 19.324 1.00 65.51 ATOM 2379 HH21 ARG 144 1.814 -9.553 18.752 1.00 32.15 ATOM 2380 HH22 ARG 144 2.572 -10.202 20.168 1.00 22.43 ATOM 2381 C ARG 144 -2.302 -12.617 13.855 1.00 41.21 ATOM 2382 O ARG 144 -1.772 -13.025 12.821 1.00 3.05 ATOM 2383 N ARG 145 -2.741 -11.371 14.000 1.00 42.21 ATOM 2384 HN ARG 145 -3.160 -11.101 14.852 1.00 37.59 ATOM 2385 HA ARG 145 -2.964 -10.847 12.007 1.00 21.12 ATOM 2386 CB ARG 145 -3.501 -9.172 13.223 1.00 31.30 ATOM 2387 HB1 ARG 145 -4.484 -9.522 13.509 1.00 37.59 ATOM 2388 HB2 ARG 145 -3.588 -8.582 12.321 1.00 1.32 ATOM 2389 CG ARG 145 -2.954 -8.279 14.325 1.00 72.43 ATOM 2390 HG1 ARG 145 -2.187 -7.641 13.910 1.00 37.59 ATOM 2391 HG2 ARG 145 -2.529 -8.893 15.109 1.00 20.43 ATOM 2392 CD ARG 145 -4.045 -7.408 14.928 1.00 5.12 ATOM 2393 HD1 ARG 145 -4.930 -8.018 15.066 1.00 37.59 ATOM 2394 HD2 ARG 145 -4.265 -6.602 14.243 1.00 30.31 ATOM 2395 NE ARG 145 -3.645 -6.843 16.214 1.00 22.44 ATOM 2396 HE ARG 145 -2.682 -6.806 16.422 1.00 34.24 ATOM 2397 CZ ARG 145 -4.506 -6.373 17.110 1.00 43.42 ATOM 2398 NH1 ARG 145 -5.808 -6.399 16.860 1.00 4.12 ATOM 2399 HH11 ARG 145 -6.171 -6.762 16.006 1.00 3.54 ATOM 2400 HH12 ARG 145 -6.448 -6.045 17.545 1.00 41.13 ATOM 2401 NH2 ARG 145 -4.065 -5.875 18.258 1.00 42.40 ATOM 2402 HH21 ARG 145 -3.082 -5.852 18.453 1.00 71.33 ATOM 2403 HH22 ARG 145 -4.713 -5.520 18.935 1.00 73.50 ATOM 2404 CA ARG 145 -2.623 -10.390 12.928 1.00 41.40 ATOM 2405 C ARG 145 -1.172 -9.952 12.749 1.00 71.13 ATOM 2406 OT1 ARG 145 -0.451 -9.806 13.764 1.00 37.59 ATOM 2407 OT2 ARG 145 -0.761 -9.756 11.586 1.00 37.59 ATOM 2408 OH2 TIP3 1 -4.169 -49.945 -11.683 0.00 0.00 WAT1 ATOM 2409 H1 TIP3 1 -3.969 -49.521 -12.518 0.00 0.00 WAT1 ATOM 2410 H2 TIP3 1 -3.513 -49.602 -11.076 0.00 0.00 WAT1 ATOM 2411 OH2 TIP3 2 -4.456 -51.933 -18.036 0.00 0.00 WAT1 ATOM 2412 H1 TIP3 2 -4.612 -51.255 -18.693 0.00 0.00 WAT1 ATOM 2413 H2 TIP3 2 -3.524 -51.861 -17.833 0.00 0.00 WAT1 ATOM 2414 OH2 TIP3 3 -1.740 -51.283 -17.807 0.00 0.00 WAT1 ATOM 2415 H1 TIP3 3 -1.762 -51.098 -16.868 0.00 0.00 WAT1 ATOM 2416 H2 TIP3 3 -1.050 -50.714 -18.148 0.00 0.00 WAT1 ATOM 2417 OH2 TIP3 4 -2.177 -51.716 -14.885 0.00 0.00 WAT1 ATOM 2418 H1 TIP3 4 -2.664 -52.451 -15.256 0.00 0.00 WAT1 ATOM 2419 H2 TIP3 4 -1.628 -52.109 -14.207 0.00 0.00 WAT1 ATOM 2420 OH2 TIP3 5 -5.151 -50.097 -15.940 0.00 0.00 WAT1 ATOM 2421 H1 TIP3 5 -5.333 -49.181 -16.151 0.00 0.00 WAT1 ATOM 2422 H2 TIP3 5 -4.975 -50.507 -16.787 0.00 0.00 WAT1 ATOM 2423 OH2 TIP3 6 -3.804 -52.662 -12.077 0.00 0.00 WAT1 ATOM 2424 H1 TIP3 6 -4.586 -52.848 -12.597 0.00 0.00 WAT1 ATOM 2425 H2 TIP3 6 -3.876 -51.733 -11.860 0.00 0.00 WAT1 ATOM 2426 OH2 TIP3 7 -8.254 -58.776 -3.191 0.00 0.00 WAT1 ATOM 2427 H1 TIP3 7 -8.165 -57.832 -3.323 0.00 0.00 WAT1 ATOM 2428 H2 TIP3 7 -8.893 -59.051 -3.849 0.00 0.00 WAT1 ATOM 2429 OH2 TIP3 8 -9.321 -59.521 0.228 0.00 0.00 WAT1 ATOM 2430 H1 TIP3 8 -9.359 -60.167 0.933 0.00 0.00 WAT1 ATOM 2431 H2 TIP3 8 -9.644 -59.987 -0.543 0.00 0.00 WAT1 ATOM 2432 OH2 TIP3 9 -8.504 -51.477 -1.258 0.00 0.00 WAT1 ATOM 2433 H1 TIP3 9 -7.884 -52.154 -1.531 0.00 0.00 WAT1 ATOM 2434 H2 TIP3 9 -8.712 -51.695 -0.350 0.00 0.00 WAT1 ATOM 2435 OH2 TIP3 10 -10.932 -57.088 0.634 0.00 0.00 WAT1 ATOM 2436 H1 TIP3 10 -10.628 -57.774 0.040 0.00 0.00 WAT1 ATOM 2437 H2 TIP3 10 -10.210 -56.970 1.252 0.00 0.00 WAT1 ATOM 2438 OH2 TIP3 11 -1.877 -64.009 3.731 0.00 0.00 WAT1 ATOM 2439 H1 TIP3 11 -2.566 -63.351 3.636 0.00 0.00 WAT1 ATOM 2440 H2 TIP3 11 -1.862 -64.206 4.668 0.00 0.00 WAT1 ATOM 2441 OH2 TIP3 12 -8.457 -56.175 -4.148 0.00 0.00 WAT1 ATOM 2442 H1 TIP3 12 -8.753 -56.497 -4.999 0.00 0.00 WAT1 ATOM 2443 H2 TIP3 12 -8.781 -55.275 -4.106 0.00 0.00 WAT1 ATOM 2444 OH2 TIP3 13 -5.692 -55.060 -3.988 0.00 0.00 WAT1 ATOM 2445 H1 TIP3 13 -5.949 -55.750 -4.600 0.00 0.00 WAT1 ATOM 2446 H2 TIP3 13 -5.621 -55.503 -3.143 0.00 0.00 WAT1 ATOM 2447 OH2 TIP3 14 -2.164 -60.154 2.555 0.00 0.00 WAT1 ATOM 2448 H1 TIP3 14 -2.816 -59.459 2.644 0.00 0.00 WAT1 ATOM 2449 H2 TIP3 14 -1.699 -59.944 1.745 0.00 0.00 WAT1 ATOM 2450 OH2 TIP3 15 -6.127 -59.322 -4.787 0.00 0.00 WAT1 ATOM 2451 H1 TIP3 15 -6.859 -59.094 -4.214 0.00 0.00 WAT1 ATOM 2452 H2 TIP3 15 -5.680 -60.036 -4.332 0.00 0.00 WAT1 ATOM 2453 OH2 TIP3 16 -6.230 -61.148 4.281 0.00 0.00 WAT1 ATOM 2454 H1 TIP3 16 -6.150 -60.385 4.853 0.00 0.00 WAT1 ATOM 2455 H2 TIP3 16 -6.831 -60.869 3.590 0.00 0.00 WAT1 ATOM 2456 OH2 TIP3 17 -13.235 -55.524 5.446 0.00 0.00 WAT1 ATOM 2457 H1 TIP3 17 -13.547 -54.742 5.902 0.00 0.00 WAT1 ATOM 2458 H2 TIP3 17 -13.885 -55.677 4.760 0.00 0.00 WAT1 ATOM 2459 OH2 TIP3 18 -9.530 -53.423 -3.667 0.00 0.00 WAT1 ATOM 2460 H1 TIP3 18 -9.056 -53.128 -2.889 0.00 0.00 WAT1 ATOM 2461 H2 TIP3 18 -10.093 -52.685 -3.900 0.00 0.00 WAT1 ATOM 2462 OH2 TIP3 19 -14.996 -53.452 6.210 0.00 0.00 WAT1 ATOM 2463 H1 TIP3 19 -14.988 -53.588 5.262 0.00 0.00 WAT1 ATOM 2464 H2 TIP3 19 -15.912 -53.570 6.462 0.00 0.00 WAT1 ATOM 2465 OH2 TIP3 20 -2.368 -54.044 -8.912 0.00 0.00 WAT1 ATOM 2466 H1 TIP3 20 -2.295 -53.105 -8.742 0.00 0.00 WAT1 ATOM 2467 H2 TIP3 20 -1.463 -54.349 -8.969 0.00 0.00 WAT1 ATOM 2468 OH2 TIP3 21 -10.472 -54.239 4.942 0.00 0.00 WAT1 ATOM 2469 H1 TIP3 21 -10.385 -53.413 5.417 0.00 0.00 WAT1 ATOM 2470 H2 TIP3 21 -11.336 -54.569 5.191 0.00 0.00 WAT1 ATOM 2471 OH2 TIP3 22 -10.058 -50.467 -5.252 0.00 0.00 WAT1 ATOM 2472 H1 TIP3 22 -10.133 -50.588 -6.198 0.00 0.00 WAT1 ATOM 2473 H2 TIP3 22 -10.025 -49.517 -5.133 0.00 0.00 WAT1 ATOM 2474 OH2 TIP3 23 -6.956 -51.313 -8.249 0.00 0.00 WAT1 ATOM 2475 H1 TIP3 23 -6.581 -52.057 -8.720 0.00 0.00 WAT1 ATOM 2476 H2 TIP3 23 -6.952 -51.583 -7.331 0.00 0.00 WAT1 ATOM 2477 OH2 TIP3 24 -7.287 -51.387 -5.500 0.00 0.00 WAT1 ATOM 2478 H1 TIP3 24 -8.222 -51.287 -5.321 0.00 0.00 WAT1 ATOM 2479 H2 TIP3 24 -7.007 -52.096 -4.922 0.00 0.00 WAT1 ATOM 2480 OH2 TIP3 25 -4.299 -62.320 6.546 0.00 0.00 WAT1 ATOM 2481 H1 TIP3 25 -4.706 -61.839 5.826 0.00 0.00 WAT1 ATOM 2482 H2 TIP3 25 -4.258 -63.225 6.239 0.00 0.00 WAT1 ATOM 2483 OH2 TIP3 26 -8.639 -60.779 2.848 0.00 0.00 WAT1 ATOM 2484 H1 TIP3 26 -8.315 -61.410 2.205 0.00 0.00 WAT1 ATOM 2485 H2 TIP3 26 -9.079 -61.314 3.509 0.00 0.00 WAT1 ATOM 2486 OH2 TIP3 27 -9.851 -57.279 4.855 0.00 0.00 WAT1 ATOM 2487 H1 TIP3 27 -10.197 -57.660 5.661 0.00 0.00 WAT1 ATOM 2488 H2 TIP3 27 -10.051 -56.345 4.926 0.00 0.00 WAT1 ATOM 2489 OH2 TIP3 28 -3.574 -53.786 -6.363 0.00 0.00 WAT1 ATOM 2490 H1 TIP3 28 -3.947 -54.612 -6.053 0.00 0.00 WAT1 ATOM 2491 H2 TIP3 28 -3.297 -53.969 -7.260 0.00 0.00 WAT1 ATOM 2492 OH2 TIP3 29 -6.414 -58.978 0.659 0.00 0.00 WAT1 ATOM 2493 H1 TIP3 29 -7.342 -59.210 0.632 0.00 0.00 WAT1 ATOM 2494 H2 TIP3 29 -5.963 -59.755 0.329 0.00 0.00 WAT1 ATOM 2495 OH2 TIP3 30 -11.929 -52.838 2.683 0.00 0.00 WAT1 ATOM 2496 H1 TIP3 30 -11.566 -51.983 2.450 0.00 0.00 WAT1 ATOM 2497 H2 TIP3 30 -11.397 -53.130 3.424 0.00 0.00 WAT1 ATOM 2498 OH2 TIP3 31 -8.385 -56.739 2.384 0.00 0.00 WAT1 ATOM 2499 H1 TIP3 31 -8.811 -56.966 3.210 0.00 0.00 WAT1 ATOM 2500 H2 TIP3 31 -7.804 -57.477 2.201 0.00 0.00 WAT1 ATOM 2501 OH2 TIP3 32 -1.678 -51.330 -8.341 0.00 0.00 WAT1 ATOM 2502 H1 TIP3 32 -0.935 -50.744 -8.481 0.00 0.00 WAT1 ATOM 2503 H2 TIP3 32 -2.373 -50.762 -8.008 0.00 0.00 WAT1 ATOM 2504 OH2 TIP3 33 -5.316 -57.137 -6.316 0.00 0.00 WAT1 ATOM 2505 H1 TIP3 33 -5.593 -57.865 -5.760 0.00 0.00 WAT1 ATOM 2506 H2 TIP3 33 -4.389 -57.018 -6.110 0.00 0.00 WAT1 ATOM 2507 OH2 TIP3 34 -5.543 -61.189 -0.802 0.00 0.00 WAT1 ATOM 2508 H1 TIP3 34 -6.340 -61.604 -1.131 0.00 0.00 WAT1 ATOM 2509 H2 TIP3 34 -5.098 -61.880 -0.311 0.00 0.00 WAT1 ATOM 2510 OH2 TIP3 35 -14.145 -52.343 8.668 0.00 0.00 WAT1 ATOM 2511 H1 TIP3 35 -13.377 -52.802 9.009 0.00 0.00 WAT1 ATOM 2512 H2 TIP3 35 -14.166 -52.569 7.738 0.00 0.00 WAT1 ATOM 2513 OH2 TIP3 36 -5.449 -53.018 -9.723 0.00 0.00 WAT1 ATOM 2514 H1 TIP3 36 -5.166 -53.812 -9.270 0.00 0.00 WAT1 ATOM 2515 H2 TIP3 36 -4.709 -52.785 -10.284 0.00 0.00 WAT1 ATOM 2516 OH2 TIP3 37 -12.180 -57.482 7.435 0.00 0.00 WAT1 ATOM 2517 H1 TIP3 37 -12.508 -57.211 6.577 0.00 0.00 WAT1 ATOM 2518 H2 TIP3 37 -12.028 -58.423 7.347 0.00 0.00 WAT1 ATOM 2519 OH2 TIP3 38 -9.036 -58.772 8.074 0.00 0.00 WAT1 ATOM 2520 H1 TIP3 38 -8.083 -58.688 8.046 0.00 0.00 WAT1 ATOM 2521 H2 TIP3 38 -9.196 -59.483 8.693 0.00 0.00 WAT1 ATOM 2522 OH2 TIP3 39 -7.306 -62.264 8.639 0.00 0.00 WAT1 ATOM 2523 H1 TIP3 39 -7.114 -63.195 8.528 0.00 0.00 WAT1 ATOM 2524 H2 TIP3 39 -6.449 -61.839 8.629 0.00 0.00 WAT1 ATOM 2525 OH2 TIP3 40 -5.990 -59.475 6.717 0.00 0.00 WAT1 ATOM 2526 H1 TIP3 40 -6.271 -58.766 6.139 0.00 0.00 WAT1 ATOM 2527 H2 TIP3 40 -5.047 -59.548 6.566 0.00 0.00 WAT1 ATOM 2528 OH2 TIP3 41 -2.425 -57.669 -5.877 0.00 0.00 WAT1 ATOM 2529 H1 TIP3 41 -1.575 -57.248 -5.749 0.00 0.00 WAT1 ATOM 2530 H2 TIP3 41 -2.420 -58.409 -5.269 0.00 0.00 WAT1 ATOM 2531 OH2 TIP3 42 -2.031 -59.616 -4.053 0.00 0.00 WAT1 ATOM 2532 H1 TIP3 42 -2.757 -60.095 -3.655 0.00 0.00 WAT1 ATOM 2533 H2 TIP3 42 -1.450 -59.410 -3.321 0.00 0.00 WAT1 ATOM 2534 OH2 TIP3 43 -1.891 -61.222 6.833 0.00 0.00 WAT1 ATOM 2535 H1 TIP3 43 -2.754 -61.601 6.668 0.00 0.00 WAT1 ATOM 2536 H2 TIP3 43 -1.287 -61.961 6.759 0.00 0.00 WAT1 ATOM 2537 OH2 TIP3 44 -3.922 -62.931 0.408 0.00 0.00 WAT1 ATOM 2538 H1 TIP3 44 -2.989 -62.719 0.374 0.00 0.00 WAT1 ATOM 2539 H2 TIP3 44 -4.157 -62.829 1.331 0.00 0.00 WAT1 ATOM 2540 OH2 TIP3 45 -3.893 -62.194 3.184 0.00 0.00 WAT1 ATOM 2541 H1 TIP3 45 -4.736 -61.926 3.550 0.00 0.00 WAT1 ATOM 2542 H2 TIP3 45 -3.450 -61.372 2.973 0.00 0.00 WAT1 ATOM 2543 OH2 TIP3 46 -14.794 -50.433 2.500 0.00 0.00 WAT1 ATOM 2544 H1 TIP3 46 -15.659 -50.361 2.904 0.00 0.00 WAT1 ATOM 2545 H2 TIP3 46 -14.849 -49.886 1.716 0.00 0.00 WAT1 ATOM 2546 OH2 TIP3 47 -10.083 -50.545 1.676 0.00 0.00 WAT1 ATOM 2547 H1 TIP3 47 -10.540 -50.016 1.022 0.00 0.00 WAT1 ATOM 2548 H2 TIP3 47 -9.920 -49.942 2.401 0.00 0.00 WAT1 ATOM 2549 OH2 TIP3 48 -3.022 -51.413 -5.371 0.00 0.00 WAT1 ATOM 2550 H1 TIP3 48 -3.216 -52.161 -5.936 0.00 0.00 WAT1 ATOM 2551 H2 TIP3 48 -3.061 -50.655 -5.955 0.00 0.00 WAT1 ATOM 2552 OH2 TIP3 49 -5.615 -56.582 17.386 0.00 0.00 WAT1 ATOM 2553 H1 TIP3 49 -6.056 -57.302 17.836 0.00 0.00 WAT1 ATOM 2554 H2 TIP3 49 -5.628 -55.861 18.016 0.00 0.00 WAT1 ATOM 2555 OH2 TIP3 50 -8.504 -51.477 17.598 0.00 0.00 WAT1 ATOM 2556 H1 TIP3 50 -7.884 -52.154 17.325 0.00 0.00 WAT1 ATOM 2557 H2 TIP3 50 -8.712 -51.695 18.506 0.00 0.00 WAT1 ATOM 2558 OH2 TIP3 51 -8.457 -56.175 14.708 0.00 0.00 WAT1 ATOM 2559 H1 TIP3 51 -8.753 -56.497 13.857 0.00 0.00 WAT1 ATOM 2560 H2 TIP3 51 -8.781 -55.275 14.750 0.00 0.00 WAT1 ATOM 2561 OH2 TIP3 52 -5.103 -54.742 19.734 0.00 0.00 WAT1 ATOM 2562 H1 TIP3 52 -6.045 -54.684 19.895 0.00 0.00 WAT1 ATOM 2563 H2 TIP3 52 -4.827 -53.836 19.597 0.00 0.00 WAT1 ATOM 2564 OH2 TIP3 53 -6.851 -52.961 16.359 0.00 0.00 WAT1 ATOM 2565 H1 TIP3 53 -6.426 -53.668 15.874 0.00 0.00 WAT1 ATOM 2566 H2 TIP3 53 -6.534 -52.160 15.942 0.00 0.00 WAT1 ATOM 2567 OH2 TIP3 54 -5.692 -55.060 14.868 0.00 0.00 WAT1 ATOM 2568 H1 TIP3 54 -5.949 -55.750 14.256 0.00 0.00 WAT1 ATOM 2569 H2 TIP3 54 -5.621 -55.503 15.713 0.00 0.00 WAT1 ATOM 2570 OH2 TIP3 55 -7.256 -60.160 11.754 0.00 0.00 WAT1 ATOM 2571 H1 TIP3 55 -6.677 -60.010 12.501 0.00 0.00 WAT1 ATOM 2572 H2 TIP3 55 -6.842 -59.689 11.031 0.00 0.00 WAT1 ATOM 2573 OH2 TIP3 56 -9.530 -53.423 15.189 0.00 0.00 WAT1 ATOM 2574 H1 TIP3 56 -9.056 -53.128 15.967 0.00 0.00 WAT1 ATOM 2575 H2 TIP3 56 -10.093 -52.685 14.956 0.00 0.00 WAT1 ATOM 2576 OH2 TIP3 57 -10.058 -50.467 13.604 0.00 0.00 WAT1 ATOM 2577 H1 TIP3 57 -10.133 -50.588 12.658 0.00 0.00 WAT1 ATOM 2578 H2 TIP3 57 -10.025 -49.517 13.723 0.00 0.00 WAT1 ATOM 2579 OH2 TIP3 58 -7.287 -51.387 13.356 0.00 0.00 WAT1 ATOM 2580 H1 TIP3 58 -8.222 -51.287 13.535 0.00 0.00 WAT1 ATOM 2581 H2 TIP3 58 -7.007 -52.096 13.934 0.00 0.00 WAT1 ATOM 2582 OH2 TIP3 59 -5.779 -59.127 9.384 0.00 0.00 WAT1 ATOM 2583 H1 TIP3 59 -5.737 -59.350 8.454 0.00 0.00 WAT1 ATOM 2584 H2 TIP3 59 -4.930 -58.729 9.574 0.00 0.00 WAT1 ATOM 2585 OH2 TIP3 60 -11.371 -57.463 12.474 0.00 0.00 WAT1 ATOM 2586 H1 TIP3 60 -12.115 -57.970 12.151 0.00 0.00 WAT1 ATOM 2587 H2 TIP3 60 -11.505 -57.414 13.420 0.00 0.00 WAT1 ATOM 2588 OH2 TIP3 61 -9.245 -56.004 11.499 0.00 0.00 WAT1 ATOM 2589 H1 TIP3 61 -9.540 -55.178 11.881 0.00 0.00 WAT1 ATOM 2590 H2 TIP3 61 -9.948 -56.624 11.695 0.00 0.00 WAT1 ATOM 2591 OH2 TIP3 62 -5.316 -57.137 12.540 0.00 0.00 WAT1 ATOM 2592 H1 TIP3 62 -5.593 -57.865 13.096 0.00 0.00 WAT1 ATOM 2593 H2 TIP3 62 -4.389 -57.018 12.746 0.00 0.00 WAT1 ATOM 2594 OH2 TIP3 63 -12.091 -54.698 8.761 0.00 0.00 WAT1 ATOM 2595 H1 TIP3 63 -11.852 -55.446 8.213 0.00 0.00 WAT1 ATOM 2596 H2 TIP3 63 -12.360 -55.086 9.593 0.00 0.00 WAT1 ATOM 2597 OH2 TIP3 64 -13.154 -55.128 11.217 0.00 0.00 WAT1 ATOM 2598 H1 TIP3 64 -13.007 -55.648 12.007 0.00 0.00 WAT1 ATOM 2599 H2 TIP3 64 -13.157 -54.221 11.523 0.00 0.00 WAT1 ATOM 2600 OH2 TIP3 65 -10.416 -53.430 11.966 0.00 0.00 WAT1 ATOM 2601 H1 TIP3 65 -11.233 -52.933 12.019 0.00 0.00 WAT1 ATOM 2602 H2 TIP3 65 -9.887 -52.955 11.326 0.00 0.00 WAT1 ATOM 2603 OH2 TIP3 66 -13.078 -52.387 11.948 0.00 0.00 WAT1 ATOM 2604 H1 TIP3 66 -12.917 -51.587 11.447 0.00 0.00 WAT1 ATOM 2605 H2 TIP3 66 -13.275 -52.080 12.833 0.00 0.00 WAT1 ATOM 2606 OH2 TIP3 67 -4.456 -51.933 19.676 0.00 0.00 WAT1 ATOM 2607 H1 TIP3 67 -4.612 -51.255 19.019 0.00 0.00 WAT1 ATOM 2608 H2 TIP3 67 -3.524 -51.861 19.879 0.00 0.00 WAT1 ATOM 2609 OH2 TIP3 68 -12.376 -50.202 10.560 0.00 0.00 WAT1 ATOM 2610 H1 TIP3 68 -11.443 -50.044 10.704 0.00 0.00 WAT1 ATOM 2611 H2 TIP3 68 -12.640 -49.527 9.935 0.00 0.00 WAT1 ATOM 2612 OH2 TIP3 69 -2.177 -51.716 22.827 0.00 0.00 WAT1 ATOM 2613 H1 TIP3 69 -2.664 -52.451 22.456 0.00 0.00 WAT1 ATOM 2614 H2 TIP3 69 -1.628 -52.109 23.505 0.00 0.00 WAT1 ATOM 2615 OH2 TIP3 70 -2.425 -57.669 12.979 0.00 0.00 WAT1 ATOM 2616 H1 TIP3 70 -1.575 -57.248 13.107 0.00 0.00 WAT1 ATOM 2617 H2 TIP3 70 -2.420 -58.409 13.587 0.00 0.00 WAT1 ATOM 2618 OH2 TIP3 71 -2.031 -59.616 14.803 0.00 0.00 WAT1 ATOM 2619 H1 TIP3 71 -2.757 -60.095 15.201 0.00 0.00 WAT1 ATOM 2620 H2 TIP3 71 -1.450 -59.410 15.535 0.00 0.00 WAT1 ATOM 2621 OH2 TIP3 72 -2.272 -56.831 19.751 0.00 0.00 WAT1 ATOM 2622 H1 TIP3 72 -1.438 -57.209 19.470 0.00 0.00 WAT1 ATOM 2623 H2 TIP3 72 -2.160 -55.888 19.632 0.00 0.00 WAT1 ATOM 2624 OH2 TIP3 73 -3.785 -53.953 22.058 0.00 0.00 WAT1 ATOM 2625 H1 TIP3 73 -4.433 -53.628 22.683 0.00 0.00 WAT1 ATOM 2626 H2 TIP3 73 -4.303 -54.393 21.383 0.00 0.00 WAT1 ATOM 2627 OH2 TIP3 74 -1.763 -59.715 11.194 0.00 0.00 WAT1 ATOM 2628 H1 TIP3 74 -2.284 -59.358 10.475 0.00 0.00 WAT1 ATOM 2629 H2 TIP3 74 -1.796 -59.040 11.872 0.00 0.00 WAT1 ATOM 2630 OH2 TIP3 75 -3.414 -62.475 9.745 0.00 0.00 WAT1 ATOM 2631 H1 TIP3 75 -3.317 -61.808 9.065 0.00 0.00 WAT1 ATOM 2632 H2 TIP3 75 -3.554 -63.291 9.263 0.00 0.00 WAT1 ATOM 2633 OH2 TIP3 76 -5.002 -51.193 15.477 0.00 0.00 WAT1 ATOM 2634 H1 TIP3 76 -4.349 -51.540 14.869 0.00 0.00 WAT1 ATOM 2635 H2 TIP3 76 -4.491 -50.704 16.123 0.00 0.00 WAT1 ATOM 2636 OH2 TIP3 77 -5.151 -50.097 21.772 0.00 0.00 WAT1 ATOM 2637 H1 TIP3 77 -5.333 -49.181 21.561 0.00 0.00 WAT1 ATOM 2638 H2 TIP3 77 -4.975 -50.507 20.925 0.00 0.00 WAT1 ATOM 2639 OH2 TIP3 78 -7.791 -43.838 -17.894 0.00 0.00 WAT1 ATOM 2640 H1 TIP3 78 -7.648 -44.785 -17.874 0.00 0.00 WAT1 ATOM 2641 H2 TIP3 78 -7.897 -43.631 -18.823 0.00 0.00 WAT1 ATOM 2642 OH2 TIP3 79 -6.914 -45.606 -22.221 0.00 0.00 WAT1 ATOM 2643 H1 TIP3 79 -6.268 -45.935 -21.596 0.00 0.00 WAT1 ATOM 2644 H2 TIP3 79 -6.404 -45.088 -22.844 0.00 0.00 WAT1 ATOM 2645 OH2 TIP3 80 -5.150 -46.315 -20.240 0.00 0.00 WAT1 ATOM 2646 H1 TIP3 80 -5.365 -47.081 -19.708 0.00 0.00 WAT1 ATOM 2647 H2 TIP3 80 -4.494 -45.843 -19.727 0.00 0.00 WAT1 ATOM 2648 OH2 TIP3 81 -5.103 -35.886 -17.978 0.00 0.00 WAT1 ATOM 2649 H1 TIP3 81 -6.045 -35.828 -17.817 0.00 0.00 WAT1 ATOM 2650 H2 TIP3 81 -4.827 -34.980 -18.115 0.00 0.00 WAT1 ATOM 2651 OH2 TIP3 82 -4.803 -47.600 -16.561 0.00 0.00 WAT1 ATOM 2652 H1 TIP3 82 -5.539 -46.989 -16.599 0.00 0.00 WAT1 ATOM 2653 H2 TIP3 82 -4.119 -47.185 -17.087 0.00 0.00 WAT1 ATOM 2654 OH2 TIP3 83 -4.006 -37.638 -14.367 0.00 0.00 WAT1 ATOM 2655 H1 TIP3 83 -3.866 -38.229 -15.106 0.00 0.00 WAT1 ATOM 2656 H2 TIP3 83 -3.838 -36.765 -14.723 0.00 0.00 WAT1 ATOM 2657 OH2 TIP3 84 -6.230 -42.292 -14.575 0.00 0.00 WAT1 ATOM 2658 H1 TIP3 84 -6.150 -41.529 -14.003 0.00 0.00 WAT1 ATOM 2659 H2 TIP3 84 -6.831 -42.013 -15.266 0.00 0.00 WAT1 ATOM 2660 OH2 TIP3 85 -4.299 -43.464 -12.310 0.00 0.00 WAT1 ATOM 2661 H1 TIP3 85 -4.706 -42.983 -13.030 0.00 0.00 WAT1 ATOM 2662 H2 TIP3 85 -4.258 -44.369 -12.617 0.00 0.00 WAT1 ATOM 2663 OH2 TIP3 86 -6.542 -45.132 -14.089 0.00 0.00 WAT1 ATOM 2664 H1 TIP3 86 -7.056 -45.258 -13.292 0.00 0.00 WAT1 ATOM 2665 H2 TIP3 86 -6.697 -44.220 -14.334 0.00 0.00 WAT1 ATOM 2666 OH2 TIP3 87 -9.805 -42.832 -12.005 0.00 0.00 WAT1 ATOM 2667 H1 TIP3 87 -10.368 -43.536 -11.685 0.00 0.00 WAT1 ATOM 2668 H2 TIP3 87 -8.979 -42.952 -11.538 0.00 0.00 WAT1 ATOM 2669 OH2 TIP3 88 -7.903 -43.561 -20.679 0.00 0.00 WAT1 ATOM 2670 H1 TIP3 88 -8.098 -42.956 -21.394 0.00 0.00 WAT1 ATOM 2671 H2 TIP3 88 -7.721 -44.395 -21.114 0.00 0.00 WAT1 ATOM 2672 OH2 TIP3 89 -8.639 -41.923 -16.008 0.00 0.00 WAT1 ATOM 2673 H1 TIP3 89 -8.315 -42.554 -16.651 0.00 0.00 WAT1 ATOM 2674 H2 TIP3 89 -9.079 -42.458 -15.347 0.00 0.00 WAT1 ATOM 2675 OH2 TIP3 90 -7.456 -46.761 -17.960 0.00 0.00 WAT1 ATOM 2676 H1 TIP3 90 -8.133 -46.630 -17.296 0.00 0.00 WAT1 ATOM 2677 H2 TIP3 90 -7.942 -46.916 -18.770 0.00 0.00 WAT1 ATOM 2678 OH2 TIP3 91 -4.221 -39.474 -16.452 0.00 0.00 WAT1 ATOM 2679 H1 TIP3 91 -3.579 -39.017 -16.995 0.00 0.00 WAT1 ATOM 2680 H2 TIP3 91 -5.051 -39.361 -16.914 0.00 0.00 WAT1 ATOM 2681 OH2 TIP3 92 -7.601 -35.961 -14.051 0.00 0.00 WAT1 ATOM 2682 H1 TIP3 92 -8.502 -35.778 -14.319 0.00 0.00 WAT1 ATOM 2683 H2 TIP3 92 -7.567 -35.702 -13.130 0.00 0.00 WAT1 ATOM 2684 OH2 TIP3 93 -1.870 -43.716 -25.684 0.00 0.00 WAT1 ATOM 2685 H1 TIP3 93 -2.424 -44.112 -26.356 0.00 0.00 WAT1 ATOM 2686 H2 TIP3 93 -1.769 -42.806 -25.961 0.00 0.00 WAT1 ATOM 2687 OH2 TIP3 94 -6.414 -40.122 -18.197 0.00 0.00 WAT1 ATOM 2688 H1 TIP3 94 -7.342 -40.354 -18.224 0.00 0.00 WAT1 ATOM 2689 H2 TIP3 94 -5.963 -40.899 -18.527 0.00 0.00 WAT1 ATOM 2690 OH2 TIP3 95 -5.726 -33.331 -14.003 0.00 0.00 WAT1 ATOM 2691 H1 TIP3 95 -6.328 -33.886 -14.498 0.00 0.00 WAT1 ATOM 2692 H2 TIP3 95 -5.445 -32.664 -14.629 0.00 0.00 WAT1 ATOM 2693 OH2 TIP3 96 -8.869 -46.357 -15.706 0.00 0.00 WAT1 ATOM 2694 H1 TIP3 96 -8.171 -46.283 -15.056 0.00 0.00 WAT1 ATOM 2695 H2 TIP3 96 -9.250 -47.221 -15.551 0.00 0.00 WAT1 ATOM 2696 OH2 TIP3 97 -4.145 -46.084 -13.754 0.00 0.00 WAT1 ATOM 2697 H1 TIP3 97 -5.061 -45.821 -13.842 0.00 0.00 WAT1 ATOM 2698 H2 TIP3 97 -3.809 -46.087 -14.651 0.00 0.00 WAT1 ATOM 2699 OH2 TIP3 98 -5.543 -42.333 -19.658 0.00 0.00 WAT1 ATOM 2700 H1 TIP3 98 -6.340 -42.748 -19.987 0.00 0.00 WAT1 ATOM 2701 H2 TIP3 98 -5.098 -43.024 -19.167 0.00 0.00 WAT1 ATOM 2702 OH2 TIP3 99 -4.456 -33.077 -18.036 0.00 0.00 WAT1 ATOM 2703 H1 TIP3 99 -4.612 -32.399 -18.693 0.00 0.00 WAT1 ATOM 2704 H2 TIP3 99 -3.524 -33.005 -17.833 0.00 0.00 WAT1 ATOM 2705 OH2 TIP3 100 -7.568 -35.107 -11.459 0.00 0.00 WAT1 ATOM 2706 H1 TIP3 100 -7.919 -35.963 -11.216 0.00 0.00 WAT1 ATOM 2707 H2 TIP3 100 -6.842 -34.964 -10.852 0.00 0.00 WAT1 ATOM 2708 OH2 TIP3 101 -12.180 -38.626 -11.421 0.00 0.00 WAT1 ATOM 2709 H1 TIP3 101 -12.508 -38.355 -12.279 0.00 0.00 WAT1 ATOM 2710 H2 TIP3 101 -12.028 -39.567 -11.509 0.00 0.00 WAT1 ATOM 2711 OH2 TIP3 102 -6.445 -38.710 -14.038 0.00 0.00 WAT1 ATOM 2712 H1 TIP3 102 -5.700 -38.122 -14.158 0.00 0.00 WAT1 ATOM 2713 H2 TIP3 102 -7.202 -38.128 -13.975 0.00 0.00 WAT1 ATOM 2714 OH2 TIP3 103 -9.036 -39.916 -10.782 0.00 0.00 WAT1 ATOM 2715 H1 TIP3 103 -8.083 -39.832 -10.810 0.00 0.00 WAT1 ATOM 2716 H2 TIP3 103 -9.196 -40.627 -10.163 0.00 0.00 WAT1 ATOM 2717 OH2 TIP3 104 -7.306 -43.408 -10.217 0.00 0.00 WAT1 ATOM 2718 H1 TIP3 104 -7.114 -44.339 -10.328 0.00 0.00 WAT1 ATOM 2719 H2 TIP3 104 -6.449 -42.983 -10.227 0.00 0.00 WAT1 ATOM 2720 OH2 TIP3 105 -5.990 -40.619 -12.139 0.00 0.00 WAT1 ATOM 2721 H1 TIP3 105 -6.271 -39.910 -12.717 0.00 0.00 WAT1 ATOM 2722 H2 TIP3 105 -5.047 -40.692 -12.290 0.00 0.00 WAT1 ATOM 2723 OH2 TIP3 106 -11.234 -44.884 -11.490 0.00 0.00 WAT1 ATOM 2724 H1 TIP3 106 -11.470 -45.104 -10.588 0.00 0.00 WAT1 ATOM 2725 H2 TIP3 106 -12.017 -45.091 -11.999 0.00 0.00 WAT1 ATOM 2726 OH2 TIP3 107 -8.518 -45.757 -12.414 0.00 0.00 WAT1 ATOM 2727 H1 TIP3 107 -9.466 -45.725 -12.282 0.00 0.00 WAT1 ATOM 2728 H2 TIP3 107 -8.206 -46.382 -11.760 0.00 0.00 WAT1 ATOM 2729 OH2 TIP3 108 -6.884 -47.123 -10.409 0.00 0.00 WAT1 ATOM 2730 H1 TIP3 108 -6.981 -48.075 -10.415 0.00 0.00 WAT1 ATOM 2731 H2 TIP3 108 -7.206 -46.854 -9.548 0.00 0.00 WAT1 ATOM 2732 OH2 TIP3 109 -1.740 -32.427 -17.807 0.00 0.00 WAT1 ATOM 2733 H1 TIP3 109 -1.762 -32.242 -16.868 0.00 0.00 WAT1 ATOM 2734 H2 TIP3 109 -1.050 -31.858 -18.148 0.00 0.00 WAT1 ATOM 2735 OH2 TIP3 110 -2.031 -40.760 -22.909 0.00 0.00 WAT1 ATOM 2736 H1 TIP3 110 -2.757 -41.239 -22.511 0.00 0.00 WAT1 ATOM 2737 H2 TIP3 110 -1.450 -40.554 -22.177 0.00 0.00 WAT1 ATOM 2738 OH2 TIP3 111 -2.272 -37.975 -17.961 0.00 0.00 WAT1 ATOM 2739 H1 TIP3 111 -1.438 -38.353 -18.242 0.00 0.00 WAT1 ATOM 2740 H2 TIP3 111 -2.160 -37.032 -18.080 0.00 0.00 WAT1 ATOM 2741 OH2 TIP3 112 -3.785 -35.097 -15.654 0.00 0.00 WAT1 ATOM 2742 H1 TIP3 112 -4.433 -34.772 -15.029 0.00 0.00 WAT1 ATOM 2743 H2 TIP3 112 -4.303 -35.537 -16.329 0.00 0.00 WAT1 ATOM 2744 OH2 TIP3 113 -4.244 -42.239 -22.346 0.00 0.00 WAT1 ATOM 2745 H1 TIP3 113 -4.394 -43.184 -22.366 0.00 0.00 WAT1 ATOM 2746 H2 TIP3 113 -4.598 -41.958 -21.502 0.00 0.00 WAT1 ATOM 2747 OH2 TIP3 114 -4.534 -44.656 -23.884 0.00 0.00 WAT1 ATOM 2748 H1 TIP3 114 -4.254 -45.563 -23.759 0.00 0.00 WAT1 ATOM 2749 H2 TIP3 114 -3.775 -44.222 -24.273 0.00 0.00 WAT1 ATOM 2750 OH2 TIP3 115 -3.920 -47.393 -23.835 0.00 0.00 WAT1 ATOM 2751 H1 TIP3 115 -3.738 -47.842 -23.010 0.00 0.00 WAT1 ATOM 2752 H2 TIP3 115 -4.520 -47.978 -24.299 0.00 0.00 WAT1 ATOM 2753 OH2 TIP3 116 -8.007 -31.749 -13.230 0.00 0.00 WAT1 ATOM 2754 H1 TIP3 116 -7.330 -32.381 -13.470 0.00 0.00 WAT1 ATOM 2755 H2 TIP3 116 -7.685 -31.347 -12.422 0.00 0.00 WAT1 ATOM 2756 OH2 TIP3 117 -3.089 -49.159 -14.150 0.00 0.00 WAT1 ATOM 2757 H1 TIP3 117 -3.902 -48.834 -14.538 0.00 0.00 WAT1 ATOM 2758 H2 TIP3 117 -2.856 -49.919 -14.683 0.00 0.00 WAT1 ATOM 2759 OH2 TIP3 118 -7.756 -32.811 -16.235 0.00 0.00 WAT1 ATOM 2760 H1 TIP3 118 -8.660 -32.646 -16.501 0.00 0.00 WAT1 ATOM 2761 H2 TIP3 118 -7.327 -31.958 -16.301 0.00 0.00 WAT1 ATOM 2762 OH2 TIP3 119 -5.151 -31.241 -15.940 0.00 0.00 WAT1 ATOM 2763 H1 TIP3 119 -5.333 -30.325 -16.151 0.00 0.00 WAT1 ATOM 2764 H2 TIP3 119 -4.975 -31.651 -16.787 0.00 0.00 WAT1 ATOM 2765 OH2 TIP3 120 -4.517 -49.603 -19.715 0.00 0.00 WAT1 ATOM 2766 H1 TIP3 120 -3.913 -49.055 -20.216 0.00 0.00 WAT1 ATOM 2767 H2 TIP3 120 -5.386 -49.283 -19.955 0.00 0.00 WAT1 ATOM 2768 OH2 TIP3 121 -2.790 -48.464 -21.381 0.00 0.00 WAT1 ATOM 2769 H1 TIP3 121 -2.178 -48.978 -21.908 0.00 0.00 WAT1 ATOM 2770 H2 TIP3 121 -2.407 -47.586 -21.358 0.00 0.00 WAT1 ATOM 2771 OH2 TIP3 122 -7.196 -49.119 -20.543 0.00 0.00 WAT1 ATOM 2772 H1 TIP3 122 -7.120 -49.024 -21.492 0.00 0.00 WAT1 ATOM 2773 H2 TIP3 122 -7.472 -50.027 -20.414 0.00 0.00 WAT1 ATOM 2774 OH2 TIP3 123 -6.980 -49.879 -10.770 0.00 0.00 WAT1 ATOM 2775 H1 TIP3 123 -6.904 -50.305 -9.916 0.00 0.00 WAT1 ATOM 2776 H2 TIP3 123 -6.087 -49.865 -11.112 0.00 0.00 WAT1 ATOM 2777 OH2 TIP3 124 -8.254 -39.920 -3.191 0.00 0.00 WAT1 ATOM 2778 H1 TIP3 124 -8.165 -38.976 -3.323 0.00 0.00 WAT1 ATOM 2779 H2 TIP3 124 -8.893 -40.195 -3.849 0.00 0.00 WAT1 ATOM 2780 OH2 TIP3 125 -9.321 -40.665 0.228 0.00 0.00 WAT1 ATOM 2781 H1 TIP3 125 -9.359 -41.311 0.933 0.00 0.00 WAT1 ATOM 2782 H2 TIP3 125 -9.644 -41.131 -0.543 0.00 0.00 WAT1 ATOM 2783 OH2 TIP3 126 -8.504 -32.621 -1.258 0.00 0.00 WAT1 ATOM 2784 H1 TIP3 126 -7.884 -33.298 -1.531 0.00 0.00 WAT1 ATOM 2785 H2 TIP3 126 -8.712 -32.839 -0.350 0.00 0.00 WAT1 ATOM 2786 OH2 TIP3 127 -10.932 -38.232 0.634 0.00 0.00 WAT1 ATOM 2787 H1 TIP3 127 -10.628 -38.918 0.040 0.00 0.00 WAT1 ATOM 2788 H2 TIP3 127 -10.210 -38.114 1.252 0.00 0.00 WAT1 ATOM 2789 OH2 TIP3 128 -7.791 -43.838 0.962 0.00 0.00 WAT1 ATOM 2790 H1 TIP3 128 -7.648 -44.785 0.982 0.00 0.00 WAT1 ATOM 2791 H2 TIP3 128 -7.897 -43.631 0.033 0.00 0.00 WAT1 ATOM 2792 OH2 TIP3 129 -12.860 -41.790 -1.788 0.00 0.00 WAT1 ATOM 2793 H1 TIP3 129 -12.244 -42.316 -1.279 0.00 0.00 WAT1 ATOM 2794 H2 TIP3 129 -13.446 -42.430 -2.192 0.00 0.00 WAT1 ATOM 2795 OH2 TIP3 130 -11.800 -49.513 -0.239 0.00 0.00 WAT1 ATOM 2796 H1 TIP3 130 -11.917 -50.462 -0.293 0.00 0.00 WAT1 ATOM 2797 H2 TIP3 130 -12.655 -49.181 0.034 0.00 0.00 WAT1 ATOM 2798 OH2 TIP3 131 -9.479 -42.218 -8.700 0.00 0.00 WAT1 ATOM 2799 H1 TIP3 131 -8.778 -42.196 -8.049 0.00 0.00 WAT1 ATOM 2800 H2 TIP3 131 -9.177 -42.846 -9.356 0.00 0.00 WAT1 ATOM 2801 OH2 TIP3 132 -7.806 -35.564 1.463 0.00 0.00 WAT1 ATOM 2802 H1 TIP3 132 -8.047 -34.902 2.111 0.00 0.00 WAT1 ATOM 2803 H2 TIP3 132 -8.004 -36.398 1.888 0.00 0.00 WAT1 ATOM 2804 OH2 TIP3 133 -9.530 -34.567 -3.667 0.00 0.00 WAT1 ATOM 2805 H1 TIP3 133 -9.056 -34.272 -2.889 0.00 0.00 WAT1 ATOM 2806 H2 TIP3 133 -10.093 -33.829 -3.900 0.00 0.00 WAT1 ATOM 2807 OH2 TIP3 134 -10.058 -31.611 -5.252 0.00 0.00 WAT1 ATOM 2808 H1 TIP3 134 -10.133 -31.732 -6.198 0.00 0.00 WAT1 ATOM 2809 H2 TIP3 134 -10.025 -30.661 -5.133 0.00 0.00 WAT1 ATOM 2810 OH2 TIP3 135 -6.956 -32.457 -8.249 0.00 0.00 WAT1 ATOM 2811 H1 TIP3 135 -6.581 -33.201 -8.720 0.00 0.00 WAT1 ATOM 2812 H2 TIP3 135 -6.952 -32.727 -7.331 0.00 0.00 WAT1 ATOM 2813 OH2 TIP3 136 -7.287 -32.531 -5.500 0.00 0.00 WAT1 ATOM 2814 H1 TIP3 136 -8.222 -32.431 -5.321 0.00 0.00 WAT1 ATOM 2815 H2 TIP3 136 -7.007 -33.240 -4.922 0.00 0.00 WAT1 ATOM 2816 OH2 TIP3 137 -10.206 -46.395 -8.802 0.00 0.00 WAT1 ATOM 2817 H1 TIP3 137 -10.460 -46.376 -7.879 0.00 0.00 WAT1 ATOM 2818 H2 TIP3 137 -10.463 -47.267 -9.103 0.00 0.00 WAT1 ATOM 2819 OH2 TIP3 138 -9.805 -42.832 6.851 0.00 0.00 WAT1 ATOM 2820 H1 TIP3 138 -10.368 -43.536 7.171 0.00 0.00 WAT1 ATOM 2821 H2 TIP3 138 -8.979 -42.952 7.318 0.00 0.00 WAT1 ATOM 2822 OH2 TIP3 139 -8.639 -41.923 2.848 0.00 0.00 WAT1 ATOM 2823 H1 TIP3 139 -8.315 -42.554 2.205 0.00 0.00 WAT1 ATOM 2824 H2 TIP3 139 -9.079 -42.458 3.509 0.00 0.00 WAT1 ATOM 2825 OH2 TIP3 140 -11.861 -45.996 -2.368 0.00 0.00 WAT1 ATOM 2826 H1 TIP3 140 -12.772 -45.939 -2.079 0.00 0.00 WAT1 ATOM 2827 H2 TIP3 140 -11.356 -46.056 -1.557 0.00 0.00 WAT1 ATOM 2828 OH2 TIP3 141 -13.380 -44.367 -5.885 0.00 0.00 WAT1 ATOM 2829 H1 TIP3 141 -12.448 -44.238 -5.707 0.00 0.00 WAT1 ATOM 2830 H2 TIP3 141 -13.595 -43.697 -6.534 0.00 0.00 WAT1 ATOM 2831 OH2 TIP3 142 -10.541 -43.208 -0.481 0.00 0.00 WAT1 ATOM 2832 H1 TIP3 142 -9.977 -43.755 -1.028 0.00 0.00 WAT1 ATOM 2833 H2 TIP3 142 -10.689 -43.730 0.308 0.00 0.00 WAT1 ATOM 2834 OH2 TIP3 143 -11.915 -44.820 1.933 0.00 0.00 WAT1 ATOM 2835 H1 TIP3 143 -12.750 -44.366 2.043 0.00 0.00 WAT1 ATOM 2836 H2 TIP3 143 -11.391 -44.544 2.685 0.00 0.00 WAT1 ATOM 2837 OH2 TIP3 144 -11.371 -38.607 -6.382 0.00 0.00 WAT1 ATOM 2838 H1 TIP3 144 -12.115 -39.114 -6.705 0.00 0.00 WAT1 ATOM 2839 H2 TIP3 144 -11.505 -38.558 -5.436 0.00 0.00 WAT1 ATOM 2840 OH2 TIP3 145 -9.851 -38.423 4.855 0.00 0.00 WAT1 ATOM 2841 H1 TIP3 145 -10.197 -38.804 5.661 0.00 0.00 WAT1 ATOM 2842 H2 TIP3 145 -10.051 -37.489 4.926 0.00 0.00 WAT1 ATOM 2843 OH2 TIP3 146 -12.221 -41.334 6.915 0.00 0.00 WAT1 ATOM 2844 H1 TIP3 146 -12.517 -41.500 6.020 0.00 0.00 WAT1 ATOM 2845 H2 TIP3 146 -11.290 -41.554 6.905 0.00 0.00 WAT1 ATOM 2846 OH2 TIP3 147 -7.601 -35.961 4.805 0.00 0.00 WAT1 ATOM 2847 H1 TIP3 147 -8.502 -35.778 4.537 0.00 0.00 WAT1 ATOM 2848 H2 TIP3 147 -7.567 -35.702 5.726 0.00 0.00 WAT1 ATOM 2849 OH2 TIP3 148 -6.414 -40.122 0.659 0.00 0.00 WAT1 ATOM 2850 H1 TIP3 148 -7.342 -40.354 0.632 0.00 0.00 WAT1 ATOM 2851 H2 TIP3 148 -5.963 -40.899 0.329 0.00 0.00 WAT1 ATOM 2852 OH2 TIP3 149 -13.871 -35.794 -3.208 0.00 0.00 WAT1 ATOM 2853 H1 TIP3 149 -13.344 -35.021 -3.409 0.00 0.00 WAT1 ATOM 2854 H2 TIP3 149 -14.751 -35.569 -3.510 0.00 0.00 WAT1 ATOM 2855 OH2 TIP3 150 -12.444 -38.131 -3.632 0.00 0.00 WAT1 ATOM 2856 H1 TIP3 150 -12.685 -37.206 -3.590 0.00 0.00 WAT1 ATOM 2857 H2 TIP3 150 -13.184 -38.590 -3.236 0.00 0.00 WAT1 ATOM 2858 OH2 TIP3 151 -8.385 -37.883 2.384 0.00 0.00 WAT1 ATOM 2859 H1 TIP3 151 -8.811 -38.110 3.210 0.00 0.00 WAT1 ATOM 2860 H2 TIP3 151 -7.804 -38.621 2.201 0.00 0.00 WAT1 ATOM 2861 OH2 TIP3 152 -12.091 -35.842 -10.095 0.00 0.00 WAT1 ATOM 2862 H1 TIP3 152 -11.852 -36.590 -10.643 0.00 0.00 WAT1 ATOM 2863 H2 TIP3 152 -12.360 -36.230 -9.263 0.00 0.00 WAT1 ATOM 2864 OH2 TIP3 153 -13.154 -36.272 -7.639 0.00 0.00 WAT1 ATOM 2865 H1 TIP3 153 -13.007 -36.792 -6.849 0.00 0.00 WAT1 ATOM 2866 H2 TIP3 153 -13.157 -35.365 -7.333 0.00 0.00 WAT1 ATOM 2867 OH2 TIP3 154 -10.416 -34.574 -6.890 0.00 0.00 WAT1 ATOM 2868 H1 TIP3 154 -11.233 -34.077 -6.837 0.00 0.00 WAT1 ATOM 2869 H2 TIP3 154 -9.887 -34.099 -7.530 0.00 0.00 WAT1 ATOM 2870 OH2 TIP3 155 -10.885 -44.977 -4.918 0.00 0.00 WAT1 ATOM 2871 H1 TIP3 155 -10.073 -44.473 -4.872 0.00 0.00 WAT1 ATOM 2872 H2 TIP3 155 -11.130 -45.122 -4.004 0.00 0.00 WAT1 ATOM 2873 OH2 TIP3 156 -10.349 -43.991 4.267 0.00 0.00 WAT1 ATOM 2874 H1 TIP3 156 -10.230 -43.417 5.024 0.00 0.00 WAT1 ATOM 2875 H2 TIP3 156 -9.694 -44.679 4.382 0.00 0.00 WAT1 ATOM 2876 OH2 TIP3 157 -10.001 -47.896 -3.980 0.00 0.00 WAT1 ATOM 2877 H1 TIP3 157 -10.348 -47.278 -3.335 0.00 0.00 WAT1 ATOM 2878 H2 TIP3 157 -9.343 -47.395 -4.461 0.00 0.00 WAT1 ATOM 2879 OH2 TIP3 158 -13.078 -33.531 -6.908 0.00 0.00 WAT1 ATOM 2880 H1 TIP3 158 -12.917 -32.731 -7.409 0.00 0.00 WAT1 ATOM 2881 H2 TIP3 158 -13.275 -33.224 -6.023 0.00 0.00 WAT1 ATOM 2882 OH2 TIP3 159 -10.053 -33.979 -9.957 0.00 0.00 WAT1 ATOM 2883 H1 TIP3 159 -10.697 -34.610 -9.635 0.00 0.00 WAT1 ATOM 2884 H2 TIP3 159 -9.291 -34.510 -10.189 0.00 0.00 WAT1 ATOM 2885 OH2 TIP3 160 -7.568 -35.107 7.397 0.00 0.00 WAT1 ATOM 2886 H1 TIP3 160 -7.919 -35.963 7.640 0.00 0.00 WAT1 ATOM 2887 H2 TIP3 160 -6.842 -34.964 8.004 0.00 0.00 WAT1 ATOM 2888 OH2 TIP3 161 -5.449 -34.162 -9.723 0.00 0.00 WAT1 ATOM 2889 H1 TIP3 161 -5.166 -34.956 -9.270 0.00 0.00 WAT1 ATOM 2890 H2 TIP3 161 -4.709 -33.929 -10.284 0.00 0.00 WAT1 ATOM 2891 OH2 TIP3 162 -9.142 -37.205 -10.130 0.00 0.00 WAT1 ATOM 2892 H1 TIP3 162 -9.410 -37.025 -9.229 0.00 0.00 WAT1 ATOM 2893 H2 TIP3 162 -9.348 -38.131 -10.261 0.00 0.00 WAT1 ATOM 2894 OH2 TIP3 163 -6.445 -38.710 4.818 0.00 0.00 WAT1 ATOM 2895 H1 TIP3 163 -5.700 -38.122 4.698 0.00 0.00 WAT1 ATOM 2896 H2 TIP3 163 -7.202 -38.128 4.881 0.00 0.00 WAT1 ATOM 2897 OH2 TIP3 164 -13.345 -40.280 -7.560 0.00 0.00 WAT1 ATOM 2898 H1 TIP3 164 -13.804 -40.764 -6.874 0.00 0.00 WAT1 ATOM 2899 H2 TIP3 164 -13.090 -40.948 -8.196 0.00 0.00 WAT1 ATOM 2900 OH2 TIP3 165 -14.056 -42.387 4.796 0.00 0.00 WAT1 ATOM 2901 H1 TIP3 165 -14.674 -41.712 5.077 0.00 0.00 WAT1 ATOM 2902 H2 TIP3 165 -13.712 -42.066 3.963 0.00 0.00 WAT1 ATOM 2903 OH2 TIP3 166 -12.274 -42.037 -9.297 0.00 0.00 WAT1 ATOM 2904 H1 TIP3 166 -12.454 -42.191 -10.225 0.00 0.00 WAT1 ATOM 2905 H2 TIP3 166 -11.323 -41.929 -9.253 0.00 0.00 WAT1 ATOM 2906 OH2 TIP3 167 -9.036 -39.916 8.074 0.00 0.00 WAT1 ATOM 2907 H1 TIP3 167 -8.083 -39.832 8.046 0.00 0.00 WAT1 ATOM 2908 H2 TIP3 167 -9.196 -40.627 8.693 0.00 0.00 WAT1 ATOM 2909 OH2 TIP3 168 -13.716 -45.032 5.879 0.00 0.00 WAT1 ATOM 2910 H1 TIP3 168 -13.566 -45.761 5.276 0.00 0.00 WAT1 ATOM 2911 H2 TIP3 168 -13.714 -44.255 5.320 0.00 0.00 WAT1 ATOM 2912 OH2 TIP3 169 -13.304 -46.662 3.371 0.00 0.00 WAT1 ATOM 2913 H1 TIP3 169 -12.768 -46.211 2.719 0.00 0.00 WAT1 ATOM 2914 H2 TIP3 169 -14.156 -46.770 2.949 0.00 0.00 WAT1 ATOM 2915 OH2 TIP3 170 -11.722 -41.223 3.611 0.00 0.00 WAT1 ATOM 2916 H1 TIP3 170 -10.971 -41.379 3.038 0.00 0.00 WAT1 ATOM 2917 H2 TIP3 170 -12.061 -40.371 3.335 0.00 0.00 WAT1 ATOM 2918 OH2 TIP3 171 -7.306 -43.408 8.639 0.00 0.00 WAT1 ATOM 2919 H1 TIP3 171 -7.114 -44.339 8.528 0.00 0.00 WAT1 ATOM 2920 H2 TIP3 171 -6.449 -42.983 8.629 0.00 0.00 WAT1 ATOM 2921 OH2 TIP3 172 -15.238 -43.834 7.790 0.00 0.00 WAT1 ATOM 2922 H1 TIP3 172 -16.005 -44.366 7.580 0.00 0.00 WAT1 ATOM 2923 H2 TIP3 172 -14.559 -44.144 7.191 0.00 0.00 WAT1 ATOM 2924 OH2 TIP3 173 -12.498 -49.206 3.803 0.00 0.00 WAT1 ATOM 2925 H1 TIP3 173 -12.596 -48.259 3.697 0.00 0.00 WAT1 ATOM 2926 H2 TIP3 173 -13.241 -49.578 3.327 0.00 0.00 WAT1 ATOM 2927 OH2 TIP3 174 -12.276 -49.912 6.474 0.00 0.00 WAT1 ATOM 2928 H1 TIP3 174 -11.564 -50.552 6.460 0.00 0.00 WAT1 ATOM 2929 H2 TIP3 174 -12.377 -49.645 5.560 0.00 0.00 WAT1 ATOM 2930 OH2 TIP3 175 -5.002 -32.337 -3.379 0.00 0.00 WAT1 ATOM 2931 H1 TIP3 175 -4.349 -32.684 -3.987 0.00 0.00 WAT1 ATOM 2932 H2 TIP3 175 -4.491 -31.848 -2.733 0.00 0.00 WAT1 ATOM 2933 OH2 TIP3 176 -10.352 -33.034 6.382 0.00 0.00 WAT1 ATOM 2934 H1 TIP3 176 -10.167 -33.368 7.260 0.00 0.00 WAT1 ATOM 2935 H2 TIP3 176 -9.505 -32.725 6.060 0.00 0.00 WAT1 ATOM 2936 OH2 TIP3 177 -8.007 -31.749 5.626 0.00 0.00 WAT1 ATOM 2937 H1 TIP3 177 -7.330 -32.381 5.386 0.00 0.00 WAT1 ATOM 2938 H2 TIP3 177 -7.685 -31.347 6.434 0.00 0.00 WAT1 ATOM 2939 OH2 TIP3 178 -7.756 -32.811 2.621 0.00 0.00 WAT1 ATOM 2940 H1 TIP3 178 -8.660 -32.646 2.355 0.00 0.00 WAT1 ATOM 2941 H2 TIP3 178 -7.327 -31.958 2.555 0.00 0.00 WAT1 ATOM 2942 OH2 TIP3 179 -5.151 -31.241 2.916 0.00 0.00 WAT1 ATOM 2943 H1 TIP3 179 -5.333 -30.325 2.705 0.00 0.00 WAT1 ATOM 2944 H2 TIP3 179 -4.975 -31.651 2.069 0.00 0.00 WAT1 ATOM 2945 OH2 TIP3 180 -9.659 -47.710 -0.971 0.00 0.00 WAT1 ATOM 2946 H1 TIP3 180 -10.334 -48.339 -0.716 0.00 0.00 WAT1 ATOM 2947 H2 TIP3 180 -9.095 -48.194 -1.574 0.00 0.00 WAT1 ATOM 2948 OH2 TIP3 181 -11.609 -47.069 -6.446 0.00 0.00 WAT1 ATOM 2949 H1 TIP3 181 -11.431 -47.715 -5.763 0.00 0.00 WAT1 ATOM 2950 H2 TIP3 181 -11.663 -46.235 -5.979 0.00 0.00 WAT1 ATOM 2951 OH2 TIP3 182 -9.731 -32.120 -8.051 0.00 0.00 WAT1 ATOM 2952 H1 TIP3 182 -8.865 -31.754 -8.229 0.00 0.00 WAT1 ATOM 2953 H2 TIP3 182 -9.978 -32.560 -8.864 0.00 0.00 WAT1 ATOM 2954 OH2 TIP3 183 -15.402 -49.211 7.904 0.00 0.00 WAT1 ATOM 2955 H1 TIP3 183 -14.503 -49.485 7.719 0.00 0.00 WAT1 ATOM 2956 H2 TIP3 183 -15.788 -49.954 8.368 0.00 0.00 WAT1 ATOM 2957 OH2 TIP3 184 -8.254 -39.920 15.665 0.00 0.00 WAT1 ATOM 2958 H1 TIP3 184 -8.165 -38.976 15.533 0.00 0.00 WAT1 ATOM 2959 H2 TIP3 184 -8.893 -40.195 15.007 0.00 0.00 WAT1 ATOM 2960 OH2 TIP3 185 -9.321 -40.665 19.084 0.00 0.00 WAT1 ATOM 2961 H1 TIP3 185 -9.359 -41.311 19.789 0.00 0.00 WAT1 ATOM 2962 H2 TIP3 185 -9.644 -41.131 18.313 0.00 0.00 WAT1 ATOM 2963 OH2 TIP3 186 -10.932 -38.232 19.490 0.00 0.00 WAT1 ATOM 2964 H1 TIP3 186 -10.628 -38.918 18.896 0.00 0.00 WAT1 ATOM 2965 H2 TIP3 186 -10.210 -38.114 20.108 0.00 0.00 WAT1 ATOM 2966 OH2 TIP3 187 -2.269 -46.631 20.351 0.00 0.00 WAT1 ATOM 2967 H1 TIP3 187 -2.220 -46.021 21.087 0.00 0.00 WAT1 ATOM 2968 H2 TIP3 187 -1.843 -46.170 19.628 0.00 0.00 WAT1 ATOM 2969 OH2 TIP3 188 -7.791 -43.838 19.818 0.00 0.00 WAT1 ATOM 2970 H1 TIP3 188 -7.648 -44.785 19.838 0.00 0.00 WAT1 ATOM 2971 H2 TIP3 188 -7.897 -43.631 18.889 0.00 0.00 WAT1 ATOM 2972 OH2 TIP3 189 -6.914 -45.606 15.491 0.00 0.00 WAT1 ATOM 2973 H1 TIP3 189 -6.268 -45.935 16.116 0.00 0.00 WAT1 ATOM 2974 H2 TIP3 189 -6.404 -45.088 14.868 0.00 0.00 WAT1 ATOM 2975 OH2 TIP3 190 -13.257 -39.143 21.452 0.00 0.00 WAT1 ATOM 2976 H1 TIP3 190 -13.997 -38.545 21.555 0.00 0.00 WAT1 ATOM 2977 H2 TIP3 190 -12.543 -38.589 21.136 0.00 0.00 WAT1 ATOM 2978 OH2 TIP3 191 -5.150 -46.315 17.472 0.00 0.00 WAT1 ATOM 2979 H1 TIP3 191 -5.365 -47.081 18.004 0.00 0.00 WAT1 ATOM 2980 H2 TIP3 191 -4.494 -45.843 17.985 0.00 0.00 WAT1 ATOM 2981 OH2 TIP3 192 -4.803 -47.600 21.151 0.00 0.00 WAT1 ATOM 2982 H1 TIP3 192 -5.539 -46.989 21.113 0.00 0.00 WAT1 ATOM 2983 H2 TIP3 192 -4.119 -47.185 20.625 0.00 0.00 WAT1 ATOM 2984 OH2 TIP3 193 -9.533 -40.676 13.117 0.00 0.00 WAT1 ATOM 2985 H1 TIP3 193 -10.245 -40.141 12.766 0.00 0.00 WAT1 ATOM 2986 H2 TIP3 193 -8.842 -40.620 12.457 0.00 0.00 WAT1 ATOM 2987 OH2 TIP3 194 -9.479 -42.218 10.156 0.00 0.00 WAT1 ATOM 2988 H1 TIP3 194 -8.778 -42.196 10.807 0.00 0.00 WAT1 ATOM 2989 H2 TIP3 194 -9.177 -42.846 9.500 0.00 0.00 WAT1 ATOM 2990 OH2 TIP3 195 -13.115 -36.408 18.633 0.00 0.00 WAT1 ATOM 2991 H1 TIP3 195 -13.210 -36.986 17.876 0.00 0.00 WAT1 ATOM 2992 H2 TIP3 195 -12.386 -36.779 19.129 0.00 0.00 WAT1 ATOM 2993 OH2 TIP3 196 -13.235 -36.668 24.302 0.00 0.00 WAT1 ATOM 2994 H1 TIP3 196 -13.547 -35.886 24.758 0.00 0.00 WAT1 ATOM 2995 H2 TIP3 196 -13.885 -36.821 23.616 0.00 0.00 WAT1 ATOM 2996 OH2 TIP3 197 -7.256 -41.304 11.754 0.00 0.00 WAT1 ATOM 2997 H1 TIP3 197 -6.677 -41.154 12.501 0.00 0.00 WAT1 ATOM 2998 H2 TIP3 197 -6.842 -40.833 11.031 0.00 0.00 WAT1 ATOM 2999 OH2 TIP3 198 -10.472 -35.383 23.798 0.00 0.00 WAT1 ATOM 3000 H1 TIP3 198 -10.385 -34.557 24.273 0.00 0.00 WAT1 ATOM 3001 H2 TIP3 198 -11.336 -35.713 24.047 0.00 0.00 WAT1 ATOM 3002 OH2 TIP3 199 -10.058 -31.611 13.604 0.00 0.00 WAT1 ATOM 3003 H1 TIP3 199 -10.133 -31.732 12.658 0.00 0.00 WAT1 ATOM 3004 H2 TIP3 199 -10.025 -30.661 13.723 0.00 0.00 WAT1 ATOM 3005 OH2 TIP3 200 -6.956 -32.457 10.607 0.00 0.00 WAT1 ATOM 3006 H1 TIP3 200 -6.581 -33.201 10.136 0.00 0.00 WAT1 ATOM 3007 H2 TIP3 200 -6.952 -32.727 11.525 0.00 0.00 WAT1 ATOM 3008 OH2 TIP3 201 -6.542 -45.132 23.623 0.00 0.00 WAT1 ATOM 3009 H1 TIP3 201 -7.056 -45.258 24.420 0.00 0.00 WAT1 ATOM 3010 H2 TIP3 201 -6.697 -44.220 23.378 0.00 0.00 WAT1 ATOM 3011 OH2 TIP3 202 -5.779 -40.271 9.384 0.00 0.00 WAT1 ATOM 3012 H1 TIP3 202 -5.737 -40.494 8.454 0.00 0.00 WAT1 ATOM 3013 H2 TIP3 202 -4.930 -39.873 9.574 0.00 0.00 WAT1 ATOM 3014 OH2 TIP3 203 -10.206 -46.395 10.054 0.00 0.00 WAT1 ATOM 3015 H1 TIP3 203 -10.460 -46.376 10.977 0.00 0.00 WAT1 ATOM 3016 H2 TIP3 203 -10.463 -47.267 9.753 0.00 0.00 WAT1 ATOM 3017 OH2 TIP3 204 -8.907 -43.007 14.219 0.00 0.00 WAT1 ATOM 3018 H1 TIP3 204 -9.316 -42.192 13.927 0.00 0.00 WAT1 ATOM 3019 H2 TIP3 204 -8.187 -43.147 13.604 0.00 0.00 WAT1 ATOM 3020 OH2 TIP3 205 -9.805 -42.832 25.707 0.00 0.00 WAT1 ATOM 3021 H1 TIP3 205 -10.368 -43.536 26.027 0.00 0.00 WAT1 ATOM 3022 H2 TIP3 205 -8.979 -42.952 26.174 0.00 0.00 WAT1 ATOM 3023 OH2 TIP3 206 -7.903 -43.561 17.033 0.00 0.00 WAT1 ATOM 3024 H1 TIP3 206 -8.098 -42.956 16.318 0.00 0.00 WAT1 ATOM 3025 H2 TIP3 206 -7.721 -44.395 16.598 0.00 0.00 WAT1 ATOM 3026 OH2 TIP3 207 -13.324 -45.950 9.155 0.00 0.00 WAT1 ATOM 3027 H1 TIP3 207 -13.755 -46.395 9.885 0.00 0.00 WAT1 ATOM 3028 H2 TIP3 207 -14.042 -45.578 8.643 0.00 0.00 WAT1 ATOM 3029 OH2 TIP3 208 -7.456 -46.761 19.752 0.00 0.00 WAT1 ATOM 3030 H1 TIP3 208 -8.133 -46.630 20.416 0.00 0.00 WAT1 ATOM 3031 H2 TIP3 208 -7.942 -46.916 18.942 0.00 0.00 WAT1 ATOM 3032 OH2 TIP3 209 -10.541 -43.208 18.375 0.00 0.00 WAT1 ATOM 3033 H1 TIP3 209 -9.977 -43.755 17.828 0.00 0.00 WAT1 ATOM 3034 H2 TIP3 209 -10.689 -43.730 19.164 0.00 0.00 WAT1 ATOM 3035 OH2 TIP3 210 -11.915 -44.820 20.789 0.00 0.00 WAT1 ATOM 3036 H1 TIP3 210 -12.750 -44.366 20.899 0.00 0.00 WAT1 ATOM 3037 H2 TIP3 210 -11.391 -44.544 21.541 0.00 0.00 WAT1 ATOM 3038 OH2 TIP3 211 -11.371 -38.607 12.474 0.00 0.00 WAT1 ATOM 3039 H1 TIP3 211 -12.115 -39.114 12.151 0.00 0.00 WAT1 ATOM 3040 H2 TIP3 211 -11.505 -38.558 13.420 0.00 0.00 WAT1 ATOM 3041 OH2 TIP3 212 -7.473 -45.793 10.673 0.00 0.00 WAT1 ATOM 3042 H1 TIP3 212 -8.411 -45.681 10.522 0.00 0.00 WAT1 ATOM 3043 H2 TIP3 212 -7.176 -44.936 10.979 0.00 0.00 WAT1 ATOM 3044 OH2 TIP3 213 -6.755 -43.926 12.334 0.00 0.00 WAT1 ATOM 3045 H1 TIP3 213 -5.863 -44.063 12.653 0.00 0.00 WAT1 ATOM 3046 H2 TIP3 213 -6.698 -43.135 11.797 0.00 0.00 WAT1 ATOM 3047 OH2 TIP3 214 -9.245 -37.148 11.499 0.00 0.00 WAT1 ATOM 3048 H1 TIP3 214 -9.540 -36.322 11.881 0.00 0.00 WAT1 ATOM 3049 H2 TIP3 214 -9.948 -37.768 11.695 0.00 0.00 WAT1 ATOM 3050 OH2 TIP3 215 -12.221 -41.334 25.771 0.00 0.00 WAT1 ATOM 3051 H1 TIP3 215 -12.517 -41.500 24.876 0.00 0.00 WAT1 ATOM 3052 H2 TIP3 215 -11.290 -41.554 25.761 0.00 0.00 WAT1 ATOM 3053 OH2 TIP3 216 -13.871 -35.794 15.648 0.00 0.00 WAT1 ATOM 3054 H1 TIP3 216 -13.344 -35.021 15.447 0.00 0.00 WAT1 ATOM 3055 H2 TIP3 216 -14.751 -35.569 15.346 0.00 0.00 WAT1 ATOM 3056 OH2 TIP3 217 -12.444 -38.131 15.224 0.00 0.00 WAT1 ATOM 3057 H1 TIP3 217 -12.685 -37.206 15.266 0.00 0.00 WAT1 ATOM 3058 H2 TIP3 217 -13.184 -38.590 15.620 0.00 0.00 WAT1 ATOM 3059 OH2 TIP3 218 -11.929 -33.982 21.539 0.00 0.00 WAT1 ATOM 3060 H1 TIP3 218 -11.566 -33.127 21.306 0.00 0.00 WAT1 ATOM 3061 H2 TIP3 218 -11.397 -34.274 22.280 0.00 0.00 WAT1 ATOM 3062 OH2 TIP3 219 -13.760 -33.109 14.769 0.00 0.00 WAT1 ATOM 3063 H1 TIP3 219 -14.710 -33.004 14.821 0.00 0.00 WAT1 ATOM 3064 H2 TIP3 219 -13.409 -32.289 15.114 0.00 0.00 WAT1 ATOM 3065 OH2 TIP3 220 -13.154 -36.272 11.217 0.00 0.00 WAT1 ATOM 3066 H1 TIP3 220 -13.007 -36.792 12.007 0.00 0.00 WAT1 ATOM 3067 H2 TIP3 220 -13.157 -35.365 11.523 0.00 0.00 WAT1 ATOM 3068 OH2 TIP3 221 -8.869 -46.357 22.006 0.00 0.00 WAT1 ATOM 3069 H1 TIP3 221 -8.171 -46.283 22.656 0.00 0.00 WAT1 ATOM 3070 H2 TIP3 221 -9.250 -47.221 22.161 0.00 0.00 WAT1 ATOM 3071 OH2 TIP3 222 -8.085 -46.705 13.103 0.00 0.00 WAT1 ATOM 3072 H1 TIP3 222 -7.865 -46.233 12.300 0.00 0.00 WAT1 ATOM 3073 H2 TIP3 222 -7.527 -46.310 13.774 0.00 0.00 WAT1 ATOM 3074 OH2 TIP3 223 -10.416 -34.574 11.966 0.00 0.00 WAT1 ATOM 3075 H1 TIP3 223 -11.233 -34.077 12.019 0.00 0.00 WAT1 ATOM 3076 H2 TIP3 223 -9.887 -34.099 11.326 0.00 0.00 WAT1 ATOM 3077 OH2 TIP3 224 -10.885 -44.977 13.938 0.00 0.00 WAT1 ATOM 3078 H1 TIP3 224 -10.073 -44.473 13.984 0.00 0.00 WAT1 ATOM 3079 H2 TIP3 224 -11.130 -45.122 14.852 0.00 0.00 WAT1 ATOM 3080 OH2 TIP3 225 -10.349 -43.991 23.123 0.00 0.00 WAT1 ATOM 3081 H1 TIP3 225 -10.230 -43.417 23.880 0.00 0.00 WAT1 ATOM 3082 H2 TIP3 225 -9.694 -44.679 23.238 0.00 0.00 WAT1 ATOM 3083 OH2 TIP3 226 -10.001 -47.896 14.876 0.00 0.00 WAT1 ATOM 3084 H1 TIP3 226 -10.348 -47.278 15.521 0.00 0.00 WAT1 ATOM 3085 H2 TIP3 226 -9.343 -47.395 14.395 0.00 0.00 WAT1 ATOM 3086 OH2 TIP3 227 -13.078 -33.531 11.948 0.00 0.00 WAT1 ATOM 3087 H1 TIP3 227 -12.917 -32.731 11.447 0.00 0.00 WAT1 ATOM 3088 H2 TIP3 227 -13.275 -33.224 12.833 0.00 0.00 WAT1 ATOM 3089 OH2 TIP3 228 -14.344 -46.833 11.564 0.00 0.00 WAT1 ATOM 3090 H1 TIP3 228 -14.427 -45.944 11.910 0.00 0.00 WAT1 ATOM 3091 H2 TIP3 228 -13.454 -47.098 11.795 0.00 0.00 WAT1 ATOM 3092 OH2 TIP3 229 -4.145 -46.084 23.958 0.00 0.00 WAT1 ATOM 3093 H1 TIP3 229 -5.061 -45.821 23.870 0.00 0.00 WAT1 ATOM 3094 H2 TIP3 229 -3.809 -46.087 23.061 0.00 0.00 WAT1 ATOM 3095 OH2 TIP3 230 -10.053 -33.979 8.899 0.00 0.00 WAT1 ATOM 3096 H1 TIP3 230 -10.697 -34.610 9.221 0.00 0.00 WAT1 ATOM 3097 H2 TIP3 230 -9.291 -34.510 8.667 0.00 0.00 WAT1 ATOM 3098 OH2 TIP3 231 -7.568 -35.107 26.253 0.00 0.00 WAT1 ATOM 3099 H1 TIP3 231 -7.919 -35.963 26.496 0.00 0.00 WAT1 ATOM 3100 H2 TIP3 231 -6.842 -34.964 26.860 0.00 0.00 WAT1 ATOM 3101 OH2 TIP3 232 -5.449 -34.162 9.133 0.00 0.00 WAT1 ATOM 3102 H1 TIP3 232 -5.166 -34.956 9.586 0.00 0.00 WAT1 ATOM 3103 H2 TIP3 232 -4.709 -33.929 8.572 0.00 0.00 WAT1 ATOM 3104 OH2 TIP3 233 -12.180 -38.626 26.291 0.00 0.00 WAT1 ATOM 3105 H1 TIP3 233 -12.508 -38.355 25.433 0.00 0.00 WAT1 ATOM 3106 H2 TIP3 233 -12.028 -39.567 26.203 0.00 0.00 WAT1 ATOM 3107 OH2 TIP3 234 -9.142 -37.205 8.726 0.00 0.00 WAT1 ATOM 3108 H1 TIP3 234 -9.410 -37.025 9.627 0.00 0.00 WAT1 ATOM 3109 H2 TIP3 234 -9.348 -38.131 8.595 0.00 0.00 WAT1 ATOM 3110 OH2 TIP3 235 -12.274 -42.037 9.559 0.00 0.00 WAT1 ATOM 3111 H1 TIP3 235 -12.454 -42.191 8.631 0.00 0.00 WAT1 ATOM 3112 H2 TIP3 235 -11.323 -41.929 9.603 0.00 0.00 WAT1 ATOM 3113 OH2 TIP3 236 -11.722 -41.223 22.467 0.00 0.00 WAT1 ATOM 3114 H1 TIP3 236 -10.971 -41.379 21.894 0.00 0.00 WAT1 ATOM 3115 H2 TIP3 236 -12.061 -40.371 22.191 0.00 0.00 WAT1 ATOM 3116 OH2 TIP3 237 -7.306 -43.408 27.495 0.00 0.00 WAT1 ATOM 3117 H1 TIP3 237 -7.114 -44.339 27.384 0.00 0.00 WAT1 ATOM 3118 H2 TIP3 237 -6.449 -42.983 27.485 0.00 0.00 WAT1 ATOM 3119 OH2 TIP3 238 -11.234 -44.884 26.222 0.00 0.00 WAT1 ATOM 3120 H1 TIP3 238 -11.470 -45.104 27.124 0.00 0.00 WAT1 ATOM 3121 H2 TIP3 238 -12.017 -45.091 25.713 0.00 0.00 WAT1 ATOM 3122 OH2 TIP3 239 -8.518 -45.757 25.298 0.00 0.00 WAT1 ATOM 3123 H1 TIP3 239 -9.466 -45.725 25.430 0.00 0.00 WAT1 ATOM 3124 H2 TIP3 239 -8.206 -46.382 25.952 0.00 0.00 WAT1 ATOM 3125 OH2 TIP3 240 -6.884 -47.123 27.303 0.00 0.00 WAT1 ATOM 3126 H1 TIP3 240 -6.981 -48.075 27.297 0.00 0.00 WAT1 ATOM 3127 H2 TIP3 240 -7.206 -46.854 28.164 0.00 0.00 WAT1 ATOM 3128 OH2 TIP3 241 -12.376 -31.346 10.560 0.00 0.00 WAT1 ATOM 3129 H1 TIP3 241 -11.443 -31.188 10.704 0.00 0.00 WAT1 ATOM 3130 H2 TIP3 241 -12.640 -30.671 9.935 0.00 0.00 WAT1 ATOM 3131 OH2 TIP3 242 -3.726 -37.070 27.465 0.00 0.00 WAT1 ATOM 3132 H1 TIP3 242 -4.592 -37.175 27.859 0.00 0.00 WAT1 ATOM 3133 H2 TIP3 242 -3.350 -36.311 27.912 0.00 0.00 WAT1 ATOM 3134 OH2 TIP3 243 -2.090 -47.249 25.743 0.00 0.00 WAT1 ATOM 3135 H1 TIP3 243 -3.007 -46.978 25.707 0.00 0.00 WAT1 ATOM 3136 H2 TIP3 243 -1.967 -47.784 24.959 0.00 0.00 WAT1 ATOM 3137 OH2 TIP3 244 -10.352 -33.034 25.238 0.00 0.00 WAT1 ATOM 3138 H1 TIP3 244 -10.167 -33.368 26.116 0.00 0.00 WAT1 ATOM 3139 H2 TIP3 244 -9.505 -32.725 24.916 0.00 0.00 WAT1 ATOM 3140 OH2 TIP3 245 -8.007 -31.749 24.482 0.00 0.00 WAT1 ATOM 3141 H1 TIP3 245 -7.330 -32.381 24.242 0.00 0.00 WAT1 ATOM 3142 H2 TIP3 245 -7.685 -31.347 25.290 0.00 0.00 WAT1 ATOM 3143 OH2 TIP3 246 -3.089 -49.159 23.562 0.00 0.00 WAT1 ATOM 3144 H1 TIP3 246 -3.902 -48.834 23.174 0.00 0.00 WAT1 ATOM 3145 H2 TIP3 246 -2.856 -49.919 23.029 0.00 0.00 WAT1 ATOM 3146 OH2 TIP3 247 -10.083 -31.689 20.532 0.00 0.00 WAT1 ATOM 3147 H1 TIP3 247 -10.540 -31.160 19.878 0.00 0.00 WAT1 ATOM 3148 H2 TIP3 247 -9.920 -31.086 21.257 0.00 0.00 WAT1 ATOM 3149 OH2 TIP3 248 -13.168 -33.374 18.740 0.00 0.00 WAT1 ATOM 3150 H1 TIP3 248 -12.955 -34.262 18.453 0.00 0.00 WAT1 ATOM 3151 H2 TIP3 248 -13.103 -33.408 19.695 0.00 0.00 WAT1 ATOM 3152 OH2 TIP3 249 -4.517 -49.603 17.997 0.00 0.00 WAT1 ATOM 3153 H1 TIP3 249 -3.913 -49.055 17.496 0.00 0.00 WAT1 ATOM 3154 H2 TIP3 249 -5.386 -49.283 17.757 0.00 0.00 WAT1 ATOM 3155 OH2 TIP3 250 -12.753 -49.149 15.520 0.00 0.00 WAT1 ATOM 3156 H1 TIP3 250 -11.879 -48.761 15.490 0.00 0.00 WAT1 ATOM 3157 H2 TIP3 250 -12.889 -49.364 16.443 0.00 0.00 WAT1 ATOM 3158 OH2 TIP3 251 -7.196 -49.119 17.169 0.00 0.00 WAT1 ATOM 3159 H1 TIP3 251 -7.120 -49.024 16.220 0.00 0.00 WAT1 ATOM 3160 H2 TIP3 251 -7.472 -50.027 17.298 0.00 0.00 WAT1 ATOM 3161 OH2 TIP3 252 -11.609 -47.069 12.410 0.00 0.00 WAT1 ATOM 3162 H1 TIP3 252 -11.431 -47.715 13.093 0.00 0.00 WAT1 ATOM 3163 H2 TIP3 252 -11.663 -46.235 12.877 0.00 0.00 WAT1 ATOM 3164 OH2 TIP3 253 -9.731 -32.120 10.805 0.00 0.00 WAT1 ATOM 3165 H1 TIP3 253 -8.865 -31.754 10.627 0.00 0.00 WAT1 ATOM 3166 H2 TIP3 253 -9.978 -32.560 9.992 0.00 0.00 WAT1 ATOM 3167 OH2 TIP3 254 -9.479 -42.218 29.012 0.00 0.00 WAT1 ATOM 3168 H1 TIP3 254 -8.778 -42.196 29.663 0.00 0.00 WAT1 ATOM 3169 H2 TIP3 254 -9.177 -42.846 28.356 0.00 0.00 WAT1 ATOM 3170 OH2 TIP3 255 -7.256 -41.304 30.610 0.00 0.00 WAT1 ATOM 3171 H1 TIP3 255 -6.677 -41.154 31.357 0.00 0.00 WAT1 ATOM 3172 H2 TIP3 255 -6.842 -40.833 29.887 0.00 0.00 WAT1 ATOM 3173 OH2 TIP3 256 -2.368 -35.188 28.800 0.00 0.00 WAT1 ATOM 3174 H1 TIP3 256 -2.295 -34.249 28.970 0.00 0.00 WAT1 ATOM 3175 H2 TIP3 256 -1.463 -35.493 28.743 0.00 0.00 WAT1 ATOM 3176 OH2 TIP3 257 -5.779 -40.271 28.240 0.00 0.00 WAT1 ATOM 3177 H1 TIP3 257 -5.737 -40.494 27.310 0.00 0.00 WAT1 ATOM 3178 H2 TIP3 257 -4.930 -39.873 28.430 0.00 0.00 WAT1 ATOM 3179 OH2 TIP3 258 -7.473 -45.793 29.529 0.00 0.00 WAT1 ATOM 3180 H1 TIP3 258 -8.411 -45.681 29.378 0.00 0.00 WAT1 ATOM 3181 H2 TIP3 258 -7.176 -44.936 29.835 0.00 0.00 WAT1 ATOM 3182 OH2 TIP3 259 -6.755 -43.926 31.190 0.00 0.00 WAT1 ATOM 3183 H1 TIP3 259 -5.863 -44.063 31.509 0.00 0.00 WAT1 ATOM 3184 H2 TIP3 259 -6.698 -43.135 30.653 0.00 0.00 WAT1 ATOM 3185 OH2 TIP3 260 -9.245 -37.148 30.355 0.00 0.00 WAT1 ATOM 3186 H1 TIP3 260 -9.540 -36.322 30.737 0.00 0.00 WAT1 ATOM 3187 H2 TIP3 260 -9.948 -37.768 30.551 0.00 0.00 WAT1 ATOM 3188 OH2 TIP3 261 -1.870 -43.716 30.884 0.00 0.00 WAT1 ATOM 3189 H1 TIP3 261 -2.424 -44.112 30.212 0.00 0.00 WAT1 ATOM 3190 H2 TIP3 261 -1.769 -42.806 30.607 0.00 0.00 WAT1 ATOM 3191 OH2 TIP3 262 -6.182 -36.954 29.170 0.00 0.00 WAT1 ATOM 3192 H1 TIP3 262 -5.829 -37.334 29.974 0.00 0.00 WAT1 ATOM 3193 H2 TIP3 262 -7.131 -37.047 29.256 0.00 0.00 WAT1 ATOM 3194 OH2 TIP3 263 -1.678 -32.474 29.371 0.00 0.00 WAT1 ATOM 3195 H1 TIP3 263 -0.935 -31.888 29.231 0.00 0.00 WAT1 ATOM 3196 H2 TIP3 263 -2.373 -31.906 29.704 0.00 0.00 WAT1 ATOM 3197 OH2 TIP3 264 -5.316 -38.281 31.396 0.00 0.00 WAT1 ATOM 3198 H1 TIP3 264 -5.593 -39.009 31.952 0.00 0.00 WAT1 ATOM 3199 H2 TIP3 264 -4.389 -38.162 31.602 0.00 0.00 WAT1 ATOM 3200 OH2 TIP3 265 -12.091 -35.842 27.617 0.00 0.00 WAT1 ATOM 3201 H1 TIP3 265 -11.852 -36.590 27.069 0.00 0.00 WAT1 ATOM 3202 H2 TIP3 265 -12.360 -36.230 28.449 0.00 0.00 WAT1 ATOM 3203 OH2 TIP3 266 -10.053 -33.979 27.755 0.00 0.00 WAT1 ATOM 3204 H1 TIP3 266 -10.697 -34.610 28.077 0.00 0.00 WAT1 ATOM 3205 H2 TIP3 266 -9.291 -34.510 27.523 0.00 0.00 WAT1 ATOM 3206 OH2 TIP3 267 -5.449 -34.162 27.989 0.00 0.00 WAT1 ATOM 3207 H1 TIP3 267 -5.166 -34.956 28.442 0.00 0.00 WAT1 ATOM 3208 H2 TIP3 267 -4.709 -33.929 27.428 0.00 0.00 WAT1 ATOM 3209 OH2 TIP3 268 -9.142 -37.205 27.582 0.00 0.00 WAT1 ATOM 3210 H1 TIP3 268 -9.410 -37.025 28.483 0.00 0.00 WAT1 ATOM 3211 H2 TIP3 268 -9.348 -38.131 27.451 0.00 0.00 WAT1 ATOM 3212 OH2 TIP3 269 -12.274 -42.037 28.415 0.00 0.00 WAT1 ATOM 3213 H1 TIP3 269 -12.454 -42.191 27.487 0.00 0.00 WAT1 ATOM 3214 H2 TIP3 269 -11.323 -41.929 28.459 0.00 0.00 WAT1 ATOM 3215 OH2 TIP3 270 -2.884 -39.682 27.860 0.00 0.00 WAT1 ATOM 3216 H1 TIP3 270 -3.157 -40.107 27.047 0.00 0.00 WAT1 ATOM 3217 H2 TIP3 270 -2.844 -38.751 27.643 0.00 0.00 WAT1 ATOM 3218 OH2 TIP3 271 -2.425 -38.813 31.835 0.00 0.00 WAT1 ATOM 3219 H1 TIP3 271 -1.575 -38.392 31.963 0.00 0.00 WAT1 ATOM 3220 H2 TIP3 271 -2.420 -39.553 32.443 0.00 0.00 WAT1 ATOM 3221 OH2 TIP3 272 -1.763 -40.859 30.050 0.00 0.00 WAT1 ATOM 3222 H1 TIP3 272 -2.284 -40.502 29.331 0.00 0.00 WAT1 ATOM 3223 H2 TIP3 272 -1.796 -40.184 30.728 0.00 0.00 WAT1 ATOM 3224 OH2 TIP3 273 -3.414 -43.619 28.601 0.00 0.00 WAT1 ATOM 3225 H1 TIP3 273 -3.317 -42.952 27.921 0.00 0.00 WAT1 ATOM 3226 H2 TIP3 273 -3.554 -44.435 28.119 0.00 0.00 WAT1 ATOM 3227 OH2 TIP3 274 -4.166 -46.211 27.718 0.00 0.00 WAT1 ATOM 3228 H1 TIP3 274 -3.556 -46.583 28.355 0.00 0.00 WAT1 ATOM 3229 H2 TIP3 274 -5.003 -46.633 27.914 0.00 0.00 WAT1 ATOM 3230 OH2 TIP3 275 -2.054 -47.326 29.261 0.00 0.00 WAT1 ATOM 3231 H1 TIP3 275 -1.641 -48.047 28.785 0.00 0.00 WAT1 ATOM 3232 H2 TIP3 275 -1.372 -46.656 29.319 0.00 0.00 WAT1 ATOM 3233 OH2 TIP3 276 -2.269 -27.775 -17.361 0.00 0.00 WAT1 ATOM 3234 H1 TIP3 276 -2.220 -27.165 -16.625 0.00 0.00 WAT1 ATOM 3235 H2 TIP3 276 -1.843 -27.314 -18.084 0.00 0.00 WAT1 ATOM 3236 OH2 TIP3 277 -1.877 -26.297 -15.125 0.00 0.00 WAT1 ATOM 3237 H1 TIP3 277 -2.566 -25.639 -15.220 0.00 0.00 WAT1 ATOM 3238 H2 TIP3 277 -1.862 -26.494 -14.188 0.00 0.00 WAT1 ATOM 3239 OH2 TIP3 278 -4.803 -28.744 -16.561 0.00 0.00 WAT1 ATOM 3240 H1 TIP3 278 -5.539 -28.133 -16.599 0.00 0.00 WAT1 ATOM 3241 H2 TIP3 278 -4.119 -28.329 -17.087 0.00 0.00 WAT1 ATOM 3242 OH2 TIP3 279 -4.006 -18.782 -14.367 0.00 0.00 WAT1 ATOM 3243 H1 TIP3 279 -3.866 -19.373 -15.106 0.00 0.00 WAT1 ATOM 3244 H2 TIP3 279 -3.838 -17.909 -14.723 0.00 0.00 WAT1 ATOM 3245 OH2 TIP3 280 -2.164 -22.442 -16.301 0.00 0.00 WAT1 ATOM 3246 H1 TIP3 280 -2.816 -21.747 -16.212 0.00 0.00 WAT1 ATOM 3247 H2 TIP3 280 -1.699 -22.232 -17.111 0.00 0.00 WAT1 ATOM 3248 OH2 TIP3 281 -1.451 -16.101 -12.790 0.00 0.00 WAT1 ATOM 3249 H1 TIP3 281 -1.500 -17.056 -12.827 0.00 0.00 WAT1 ATOM 3250 H2 TIP3 281 -2.277 -15.833 -12.388 0.00 0.00 WAT1 ATOM 3251 OH2 TIP3 282 -4.299 -24.608 -12.310 0.00 0.00 WAT1 ATOM 3252 H1 TIP3 282 -4.706 -24.127 -13.030 0.00 0.00 WAT1 ATOM 3253 H2 TIP3 282 -4.258 -25.513 -12.617 0.00 0.00 WAT1 ATOM 3254 OH2 TIP3 283 -6.542 -26.276 -14.089 0.00 0.00 WAT1 ATOM 3255 H1 TIP3 283 -7.056 -26.402 -13.292 0.00 0.00 WAT1 ATOM 3256 H2 TIP3 283 -6.697 -25.364 -14.334 0.00 0.00 WAT1 ATOM 3257 OH2 TIP3 284 -1.906 -19.060 -12.847 0.00 0.00 WAT1 ATOM 3258 H1 TIP3 284 -2.758 -18.822 -13.214 0.00 0.00 WAT1 ATOM 3259 H2 TIP3 284 -1.316 -19.077 -13.600 0.00 0.00 WAT1 ATOM 3260 OH2 TIP3 285 -4.145 -27.228 -13.754 0.00 0.00 WAT1 ATOM 3261 H1 TIP3 285 -5.061 -26.965 -13.842 0.00 0.00 WAT1 ATOM 3262 H2 TIP3 285 -3.809 -27.231 -14.651 0.00 0.00 WAT1 ATOM 3263 OH2 TIP3 286 -7.568 -16.251 -11.459 0.00 0.00 WAT1 ATOM 3264 H1 TIP3 286 -7.919 -17.107 -11.216 0.00 0.00 WAT1 ATOM 3265 H2 TIP3 286 -6.842 -16.108 -10.852 0.00 0.00 WAT1 ATOM 3266 OH2 TIP3 287 -6.445 -19.854 -14.038 0.00 0.00 WAT1 ATOM 3267 H1 TIP3 287 -5.700 -19.266 -14.158 0.00 0.00 WAT1 ATOM 3268 H2 TIP3 287 -7.202 -19.272 -13.975 0.00 0.00 WAT1 ATOM 3269 OH2 TIP3 288 -9.036 -21.060 -10.782 0.00 0.00 WAT1 ATOM 3270 H1 TIP3 288 -8.083 -20.976 -10.810 0.00 0.00 WAT1 ATOM 3271 H2 TIP3 288 -9.196 -21.771 -10.163 0.00 0.00 WAT1 ATOM 3272 OH2 TIP3 289 -7.306 -24.552 -10.217 0.00 0.00 WAT1 ATOM 3273 H1 TIP3 289 -7.114 -25.483 -10.328 0.00 0.00 WAT1 ATOM 3274 H2 TIP3 289 -6.449 -24.127 -10.227 0.00 0.00 WAT1 ATOM 3275 OH2 TIP3 290 -5.990 -21.763 -12.139 0.00 0.00 WAT1 ATOM 3276 H1 TIP3 290 -6.271 -21.054 -12.717 0.00 0.00 WAT1 ATOM 3277 H2 TIP3 290 -5.047 -21.836 -12.290 0.00 0.00 WAT1 ATOM 3278 OH2 TIP3 291 -6.884 -28.267 -10.409 0.00 0.00 WAT1 ATOM 3279 H1 TIP3 291 -6.981 -29.219 -10.415 0.00 0.00 WAT1 ATOM 3280 H2 TIP3 291 -7.206 -27.998 -9.548 0.00 0.00 WAT1 ATOM 3281 OH2 TIP3 292 -3.388 -21.413 -12.707 0.00 0.00 WAT1 ATOM 3282 H1 TIP3 292 -2.805 -22.147 -12.516 0.00 0.00 WAT1 ATOM 3283 H2 TIP3 292 -2.824 -20.641 -12.661 0.00 0.00 WAT1 ATOM 3284 OH2 TIP3 293 -1.891 -23.510 -12.023 0.00 0.00 WAT1 ATOM 3285 H1 TIP3 293 -2.754 -23.889 -12.188 0.00 0.00 WAT1 ATOM 3286 H2 TIP3 293 -1.287 -24.249 -12.097 0.00 0.00 WAT1 ATOM 3287 OH2 TIP3 294 -3.893 -24.482 -15.672 0.00 0.00 WAT1 ATOM 3288 H1 TIP3 294 -4.736 -24.214 -15.306 0.00 0.00 WAT1 ATOM 3289 H2 TIP3 294 -3.450 -23.660 -15.883 0.00 0.00 WAT1 ATOM 3290 OH2 TIP3 295 -4.517 -30.747 -19.715 0.00 0.00 WAT1 ATOM 3291 H1 TIP3 295 -3.913 -30.199 -20.216 0.00 0.00 WAT1 ATOM 3292 H2 TIP3 295 -5.386 -30.427 -19.955 0.00 0.00 WAT1 ATOM 3293 OH2 TIP3 296 -6.980 -31.023 -10.770 0.00 0.00 WAT1 ATOM 3294 H1 TIP3 296 -6.904 -31.449 -9.916 0.00 0.00 WAT1 ATOM 3295 H2 TIP3 296 -6.087 -31.009 -11.112 0.00 0.00 WAT1 ATOM 3296 OH2 TIP3 297 -3.804 -14.950 -12.077 0.00 0.00 WAT1 ATOM 3297 H1 TIP3 297 -4.586 -15.136 -12.597 0.00 0.00 WAT1 ATOM 3298 H2 TIP3 297 -3.876 -14.021 -11.860 0.00 0.00 WAT1 ATOM 3299 OH2 TIP3 298 -8.254 -21.064 -3.191 0.00 0.00 WAT1 ATOM 3300 H1 TIP3 298 -8.165 -20.120 -3.323 0.00 0.00 WAT1 ATOM 3301 H2 TIP3 298 -8.893 -21.339 -3.849 0.00 0.00 WAT1 ATOM 3302 OH2 TIP3 299 -5.615 -18.870 -1.470 0.00 0.00 WAT1 ATOM 3303 H1 TIP3 299 -6.056 -19.590 -1.020 0.00 0.00 WAT1 ATOM 3304 H2 TIP3 299 -5.628 -18.149 -0.840 0.00 0.00 WAT1 ATOM 3305 OH2 TIP3 300 -2.269 -27.775 1.495 0.00 0.00 WAT1 ATOM 3306 H1 TIP3 300 -2.220 -27.165 2.231 0.00 0.00 WAT1 ATOM 3307 H2 TIP3 300 -1.843 -27.314 0.772 0.00 0.00 WAT1 ATOM 3308 OH2 TIP3 301 -6.914 -26.750 -3.365 0.00 0.00 WAT1 ATOM 3309 H1 TIP3 301 -6.268 -27.079 -2.740 0.00 0.00 WAT1 ATOM 3310 H2 TIP3 301 -6.404 -26.232 -3.988 0.00 0.00 WAT1 ATOM 3311 OH2 TIP3 302 -1.877 -26.297 3.731 0.00 0.00 WAT1 ATOM 3312 H1 TIP3 302 -2.566 -25.639 3.636 0.00 0.00 WAT1 ATOM 3313 H2 TIP3 302 -1.862 -26.494 4.668 0.00 0.00 WAT1 ATOM 3314 OH2 TIP3 303 -8.457 -18.463 -4.148 0.00 0.00 WAT1 ATOM 3315 H1 TIP3 303 -8.753 -18.785 -4.999 0.00 0.00 WAT1 ATOM 3316 H2 TIP3 303 -8.781 -17.563 -4.106 0.00 0.00 WAT1 ATOM 3317 OH2 TIP3 304 -5.150 -27.459 -1.384 0.00 0.00 WAT1 ATOM 3318 H1 TIP3 304 -5.365 -28.225 -0.852 0.00 0.00 WAT1 ATOM 3319 H2 TIP3 304 -4.494 -26.987 -0.871 0.00 0.00 WAT1 ATOM 3320 OH2 TIP3 305 -5.103 -17.030 0.878 0.00 0.00 WAT1 ATOM 3321 H1 TIP3 305 -6.045 -16.972 1.039 0.00 0.00 WAT1 ATOM 3322 H2 TIP3 305 -4.827 -16.124 0.741 0.00 0.00 WAT1 ATOM 3323 OH2 TIP3 306 -4.803 -28.744 2.295 0.00 0.00 WAT1 ATOM 3324 H1 TIP3 306 -5.539 -28.133 2.257 0.00 0.00 WAT1 ATOM 3325 H2 TIP3 306 -4.119 -28.329 1.769 0.00 0.00 WAT1 ATOM 3326 OH2 TIP3 307 -6.851 -15.249 -2.497 0.00 0.00 WAT1 ATOM 3327 H1 TIP3 307 -6.426 -15.956 -2.982 0.00 0.00 WAT1 ATOM 3328 H2 TIP3 307 -6.534 -14.448 -2.914 0.00 0.00 WAT1 ATOM 3329 OH2 TIP3 308 -5.692 -17.348 -3.988 0.00 0.00 WAT1 ATOM 3330 H1 TIP3 308 -5.949 -18.038 -4.600 0.00 0.00 WAT1 ATOM 3331 H2 TIP3 308 -5.621 -17.791 -3.143 0.00 0.00 WAT1 ATOM 3332 OH2 TIP3 309 -4.006 -18.782 4.489 0.00 0.00 WAT1 ATOM 3333 H1 TIP3 309 -3.866 -19.373 3.750 0.00 0.00 WAT1 ATOM 3334 H2 TIP3 309 -3.838 -17.909 4.133 0.00 0.00 WAT1 ATOM 3335 OH2 TIP3 310 -9.533 -21.820 -5.739 0.00 0.00 WAT1 ATOM 3336 H1 TIP3 310 -10.245 -21.285 -6.090 0.00 0.00 WAT1 ATOM 3337 H2 TIP3 310 -8.842 -21.764 -6.399 0.00 0.00 WAT1 ATOM 3338 OH2 TIP3 311 -2.164 -22.442 2.555 0.00 0.00 WAT1 ATOM 3339 H1 TIP3 311 -2.816 -21.747 2.644 0.00 0.00 WAT1 ATOM 3340 H2 TIP3 311 -1.699 -22.232 1.745 0.00 0.00 WAT1 ATOM 3341 OH2 TIP3 312 -6.127 -21.610 -4.787 0.00 0.00 WAT1 ATOM 3342 H1 TIP3 312 -6.859 -21.382 -4.214 0.00 0.00 WAT1 ATOM 3343 H2 TIP3 312 -5.680 -22.324 -4.332 0.00 0.00 WAT1 ATOM 3344 OH2 TIP3 313 -6.230 -23.436 4.281 0.00 0.00 WAT1 ATOM 3345 H1 TIP3 313 -6.150 -22.673 4.853 0.00 0.00 WAT1 ATOM 3346 H2 TIP3 313 -6.831 -23.157 3.590 0.00 0.00 WAT1 ATOM 3347 OH2 TIP3 314 -7.256 -22.448 -7.102 0.00 0.00 WAT1 ATOM 3348 H1 TIP3 314 -6.677 -22.298 -6.355 0.00 0.00 WAT1 ATOM 3349 H2 TIP3 314 -6.842 -21.977 -7.825 0.00 0.00 WAT1 ATOM 3350 OH2 TIP3 315 -1.451 -16.101 6.066 0.00 0.00 WAT1 ATOM 3351 H1 TIP3 315 -1.500 -17.056 6.029 0.00 0.00 WAT1 ATOM 3352 H2 TIP3 315 -2.277 -15.833 6.468 0.00 0.00 WAT1 ATOM 3353 OH2 TIP3 316 -6.956 -13.601 -8.249 0.00 0.00 WAT1 ATOM 3354 H1 TIP3 316 -6.581 -14.345 -8.720 0.00 0.00 WAT1 ATOM 3355 H2 TIP3 316 -6.952 -13.871 -7.331 0.00 0.00 WAT1 ATOM 3356 OH2 TIP3 317 -7.287 -13.675 -5.500 0.00 0.00 WAT1 ATOM 3357 H1 TIP3 317 -8.222 -13.575 -5.321 0.00 0.00 WAT1 ATOM 3358 H2 TIP3 317 -7.007 -14.384 -4.922 0.00 0.00 WAT1 ATOM 3359 OH2 TIP3 318 -6.542 -26.276 4.767 0.00 0.00 WAT1 ATOM 3360 H1 TIP3 318 -7.056 -26.402 5.564 0.00 0.00 WAT1 ATOM 3361 H2 TIP3 318 -6.697 -25.364 4.522 0.00 0.00 WAT1 ATOM 3362 OH2 TIP3 319 -5.779 -21.415 -9.472 0.00 0.00 WAT1 ATOM 3363 H1 TIP3 319 -5.737 -21.638 -10.402 0.00 0.00 WAT1 ATOM 3364 H2 TIP3 319 -4.930 -21.017 -9.282 0.00 0.00 WAT1 ATOM 3365 OH2 TIP3 320 -9.805 -23.976 6.851 0.00 0.00 WAT1 ATOM 3366 H1 TIP3 320 -10.368 -24.680 7.171 0.00 0.00 WAT1 ATOM 3367 H2 TIP3 320 -8.979 -24.096 7.318 0.00 0.00 WAT1 ATOM 3368 OH2 TIP3 321 -4.169 -12.233 7.173 0.00 0.00 WAT1 ATOM 3369 H1 TIP3 321 -3.969 -11.809 6.338 0.00 0.00 WAT1 ATOM 3370 H2 TIP3 321 -3.513 -11.890 7.780 0.00 0.00 WAT1 ATOM 3371 OH2 TIP3 322 -4.221 -20.618 2.404 0.00 0.00 WAT1 ATOM 3372 H1 TIP3 322 -3.579 -20.161 1.861 0.00 0.00 WAT1 ATOM 3373 H2 TIP3 322 -5.051 -20.505 1.942 0.00 0.00 WAT1 ATOM 3374 OH2 TIP3 323 -7.473 -26.937 -8.183 0.00 0.00 WAT1 ATOM 3375 H1 TIP3 323 -8.411 -26.825 -8.334 0.00 0.00 WAT1 ATOM 3376 H2 TIP3 323 -7.176 -26.080 -7.877 0.00 0.00 WAT1 ATOM 3377 OH2 TIP3 324 -6.755 -25.070 -6.522 0.00 0.00 WAT1 ATOM 3378 H1 TIP3 324 -5.863 -25.207 -6.203 0.00 0.00 WAT1 ATOM 3379 H2 TIP3 324 -6.698 -24.279 -7.059 0.00 0.00 WAT1 ATOM 3380 OH2 TIP3 325 -9.245 -18.292 -7.357 0.00 0.00 WAT1 ATOM 3381 H1 TIP3 325 -9.540 -17.466 -6.975 0.00 0.00 WAT1 ATOM 3382 H2 TIP3 325 -9.948 -18.912 -7.161 0.00 0.00 WAT1 ATOM 3383 OH2 TIP3 326 -12.221 -22.478 6.915 0.00 0.00 WAT1 ATOM 3384 H1 TIP3 326 -12.517 -22.644 6.020 0.00 0.00 WAT1 ATOM 3385 H2 TIP3 326 -11.290 -22.698 6.905 0.00 0.00 WAT1 ATOM 3386 OH2 TIP3 327 -1.870 -24.860 -6.828 0.00 0.00 WAT1 ATOM 3387 H1 TIP3 327 -2.424 -25.256 -7.500 0.00 0.00 WAT1 ATOM 3388 H2 TIP3 327 -1.769 -23.950 -7.105 0.00 0.00 WAT1 ATOM 3389 OH2 TIP3 328 -1.906 -19.060 6.009 0.00 0.00 WAT1 ATOM 3390 H1 TIP3 328 -2.758 -18.822 5.642 0.00 0.00 WAT1 ATOM 3391 H2 TIP3 328 -1.316 -19.077 5.256 0.00 0.00 WAT1 ATOM 3392 OH2 TIP3 329 -6.182 -18.098 -8.542 0.00 0.00 WAT1 ATOM 3393 H1 TIP3 329 -5.829 -18.478 -7.738 0.00 0.00 WAT1 ATOM 3394 H2 TIP3 329 -7.131 -18.191 -8.456 0.00 0.00 WAT1 ATOM 3395 OH2 TIP3 330 -5.726 -14.475 4.853 0.00 0.00 WAT1 ATOM 3396 H1 TIP3 330 -6.328 -15.030 4.358 0.00 0.00 WAT1 ATOM 3397 H2 TIP3 330 -5.445 -13.808 4.227 0.00 0.00 WAT1 ATOM 3398 OH2 TIP3 331 -1.678 -13.618 -8.341 0.00 0.00 WAT1 ATOM 3399 H1 TIP3 331 -0.935 -13.032 -8.481 0.00 0.00 WAT1 ATOM 3400 H2 TIP3 331 -2.373 -13.050 -8.008 0.00 0.00 WAT1 ATOM 3401 OH2 TIP3 332 -8.085 -27.849 -5.753 0.00 0.00 WAT1 ATOM 3402 H1 TIP3 332 -7.865 -27.377 -6.556 0.00 0.00 WAT1 ATOM 3403 H2 TIP3 332 -7.527 -27.454 -5.082 0.00 0.00 WAT1 ATOM 3404 OH2 TIP3 333 -4.145 -27.228 5.102 0.00 0.00 WAT1 ATOM 3405 H1 TIP3 333 -5.061 -26.965 5.014 0.00 0.00 WAT1 ATOM 3406 H2 TIP3 333 -3.809 -27.231 4.205 0.00 0.00 WAT1 ATOM 3407 OH2 TIP3 334 -5.543 -23.477 -0.802 0.00 0.00 WAT1 ATOM 3408 H1 TIP3 334 -6.340 -23.892 -1.131 0.00 0.00 WAT1 ATOM 3409 H2 TIP3 334 -5.098 -24.168 -0.311 0.00 0.00 WAT1 ATOM 3410 OH2 TIP3 335 -4.456 -14.221 0.820 0.00 0.00 WAT1 ATOM 3411 H1 TIP3 335 -4.612 -13.543 0.163 0.00 0.00 WAT1 ATOM 3412 H2 TIP3 335 -3.524 -14.149 1.023 0.00 0.00 WAT1 ATOM 3413 OH2 TIP3 336 -7.568 -16.251 7.397 0.00 0.00 WAT1 ATOM 3414 H1 TIP3 336 -7.919 -17.107 7.640 0.00 0.00 WAT1 ATOM 3415 H2 TIP3 336 -6.842 -16.108 8.004 0.00 0.00 WAT1 ATOM 3416 OH2 TIP3 337 -5.449 -15.306 -9.723 0.00 0.00 WAT1 ATOM 3417 H1 TIP3 337 -5.166 -16.100 -9.270 0.00 0.00 WAT1 ATOM 3418 H2 TIP3 337 -4.709 -15.073 -10.284 0.00 0.00 WAT1 ATOM 3419 OH2 TIP3 338 -9.142 -18.349 -10.130 0.00 0.00 WAT1 ATOM 3420 H1 TIP3 338 -9.410 -18.169 -9.229 0.00 0.00 WAT1 ATOM 3421 H2 TIP3 338 -9.348 -19.275 -10.261 0.00 0.00 WAT1 ATOM 3422 OH2 TIP3 339 -9.036 -21.060 8.074 0.00 0.00 WAT1 ATOM 3423 H1 TIP3 339 -8.083 -20.976 8.046 0.00 0.00 WAT1 ATOM 3424 H2 TIP3 339 -9.196 -21.771 8.693 0.00 0.00 WAT1 ATOM 3425 OH2 TIP3 340 -7.306 -24.552 8.639 0.00 0.00 WAT1 ATOM 3426 H1 TIP3 340 -7.114 -25.483 8.528 0.00 0.00 WAT1 ATOM 3427 H2 TIP3 340 -6.449 -24.127 8.629 0.00 0.00 WAT1 ATOM 3428 OH2 TIP3 341 -5.990 -21.763 6.717 0.00 0.00 WAT1 ATOM 3429 H1 TIP3 341 -6.271 -21.054 6.139 0.00 0.00 WAT1 ATOM 3430 H2 TIP3 341 -5.047 -21.836 6.566 0.00 0.00 WAT1 ATOM 3431 OH2 TIP3 342 -11.234 -26.028 7.366 0.00 0.00 WAT1 ATOM 3432 H1 TIP3 342 -11.470 -26.248 8.268 0.00 0.00 WAT1 ATOM 3433 H2 TIP3 342 -12.017 -26.235 6.857 0.00 0.00 WAT1 ATOM 3434 OH2 TIP3 343 -8.518 -26.901 6.442 0.00 0.00 WAT1 ATOM 3435 H1 TIP3 343 -9.466 -26.869 6.574 0.00 0.00 WAT1 ATOM 3436 H2 TIP3 343 -8.206 -27.526 7.096 0.00 0.00 WAT1 ATOM 3437 OH2 TIP3 344 -12.276 -31.056 6.474 0.00 0.00 WAT1 ATOM 3438 H1 TIP3 344 -11.564 -31.696 6.460 0.00 0.00 WAT1 ATOM 3439 H2 TIP3 344 -12.377 -30.789 5.560 0.00 0.00 WAT1 ATOM 3440 OH2 TIP3 345 -11.923 -29.373 8.528 0.00 0.00 WAT1 ATOM 3441 H1 TIP3 345 -12.054 -29.849 7.707 0.00 0.00 WAT1 ATOM 3442 H2 TIP3 345 -12.522 -28.629 8.472 0.00 0.00 WAT1 ATOM 3443 OH2 TIP3 346 -2.177 -14.004 3.971 0.00 0.00 WAT1 ATOM 3444 H1 TIP3 346 -2.664 -14.739 3.600 0.00 0.00 WAT1 ATOM 3445 H2 TIP3 346 -1.628 -14.397 4.649 0.00 0.00 WAT1 ATOM 3446 OH2 TIP3 347 -3.726 -18.214 8.609 0.00 0.00 WAT1 ATOM 3447 H1 TIP3 347 -4.592 -18.319 9.003 0.00 0.00 WAT1 ATOM 3448 H2 TIP3 347 -3.350 -17.455 9.056 0.00 0.00 WAT1 ATOM 3449 OH2 TIP3 348 -3.785 -16.241 3.202 0.00 0.00 WAT1 ATOM 3450 H1 TIP3 348 -4.433 -15.916 3.827 0.00 0.00 WAT1 ATOM 3451 H2 TIP3 348 -4.303 -16.681 2.527 0.00 0.00 WAT1 ATOM 3452 OH2 TIP3 349 -3.414 -24.763 -9.111 0.00 0.00 WAT1 ATOM 3453 H1 TIP3 349 -3.317 -24.096 -9.791 0.00 0.00 WAT1 ATOM 3454 H2 TIP3 349 -3.554 -25.579 -9.593 0.00 0.00 WAT1 ATOM 3455 OH2 TIP3 350 -4.244 -23.383 -3.490 0.00 0.00 WAT1 ATOM 3456 H1 TIP3 350 -4.394 -24.328 -3.510 0.00 0.00 WAT1 ATOM 3457 H2 TIP3 350 -4.598 -23.102 -2.646 0.00 0.00 WAT1 ATOM 3458 OH2 TIP3 351 -3.388 -21.413 6.149 0.00 0.00 WAT1 ATOM 3459 H1 TIP3 351 -2.805 -22.147 6.340 0.00 0.00 WAT1 ATOM 3460 H2 TIP3 351 -2.824 -20.641 6.195 0.00 0.00 WAT1 ATOM 3461 OH2 TIP3 352 -4.166 -27.355 -9.994 0.00 0.00 WAT1 ATOM 3462 H1 TIP3 352 -3.556 -27.727 -9.357 0.00 0.00 WAT1 ATOM 3463 H2 TIP3 352 -5.003 -27.777 -9.798 0.00 0.00 WAT1 ATOM 3464 OH2 TIP3 353 -4.534 -25.800 -5.028 0.00 0.00 WAT1 ATOM 3465 H1 TIP3 353 -4.254 -26.707 -4.903 0.00 0.00 WAT1 ATOM 3466 H2 TIP3 353 -3.775 -25.366 -5.417 0.00 0.00 WAT1 ATOM 3467 OH2 TIP3 354 -3.922 -25.219 0.408 0.00 0.00 WAT1 ATOM 3468 H1 TIP3 354 -2.989 -25.007 0.374 0.00 0.00 WAT1 ATOM 3469 H2 TIP3 354 -4.157 -25.117 1.331 0.00 0.00 WAT1 ATOM 3470 OH2 TIP3 355 -3.893 -24.482 3.184 0.00 0.00 WAT1 ATOM 3471 H1 TIP3 355 -4.736 -24.214 3.550 0.00 0.00 WAT1 ATOM 3472 H2 TIP3 355 -3.450 -23.660 2.973 0.00 0.00 WAT1 ATOM 3473 OH2 TIP3 356 -5.002 -13.481 -3.379 0.00 0.00 WAT1 ATOM 3474 H1 TIP3 356 -4.349 -13.828 -3.987 0.00 0.00 WAT1 ATOM 3475 H2 TIP3 356 -4.491 -12.992 -2.733 0.00 0.00 WAT1 ATOM 3476 OH2 TIP3 357 -5.151 -12.385 2.916 0.00 0.00 WAT1 ATOM 3477 H1 TIP3 357 -5.333 -11.469 2.705 0.00 0.00 WAT1 ATOM 3478 H2 TIP3 357 -4.975 -12.795 2.069 0.00 0.00 WAT1 ATOM 3479 OH2 TIP3 358 -4.517 -30.747 -0.859 0.00 0.00 WAT1 ATOM 3480 H1 TIP3 358 -3.913 -30.199 -1.360 0.00 0.00 WAT1 ATOM 3481 H2 TIP3 358 -5.386 -30.427 -1.099 0.00 0.00 WAT1 ATOM 3482 OH2 TIP3 359 -7.196 -30.263 -1.687 0.00 0.00 WAT1 ATOM 3483 H1 TIP3 359 -7.120 -30.168 -2.636 0.00 0.00 WAT1 ATOM 3484 H2 TIP3 359 -7.472 -31.171 -1.558 0.00 0.00 WAT1 ATOM 3485 OH2 TIP3 360 -5.843 -30.237 -5.994 0.00 0.00 WAT1 ATOM 3486 H1 TIP3 360 -6.546 -29.623 -6.204 0.00 0.00 WAT1 ATOM 3487 H2 TIP3 360 -6.288 -31.075 -5.863 0.00 0.00 WAT1 ATOM 3488 OH2 TIP3 361 -3.022 -13.701 -5.371 0.00 0.00 WAT1 ATOM 3489 H1 TIP3 361 -3.216 -14.449 -5.936 0.00 0.00 WAT1 ATOM 3490 H2 TIP3 361 -3.061 -12.943 -5.955 0.00 0.00 WAT1 ATOM 3491 OH2 TIP3 362 -6.980 -31.023 8.086 0.00 0.00 WAT1 ATOM 3492 H1 TIP3 362 -6.904 -31.449 8.940 0.00 0.00 WAT1 ATOM 3493 H2 TIP3 362 -6.087 -31.009 7.744 0.00 0.00 WAT1 ATOM 3494 OH2 TIP3 363 -3.804 -14.950 6.779 0.00 0.00 WAT1 ATOM 3495 H1 TIP3 363 -4.586 -15.136 6.259 0.00 0.00 WAT1 ATOM 3496 H2 TIP3 363 -3.876 -14.021 6.996 0.00 0.00 WAT1 ATOM 3497 OH2 TIP3 364 -8.254 -21.064 15.665 0.00 0.00 WAT1 ATOM 3498 H1 TIP3 364 -8.165 -20.120 15.533 0.00 0.00 WAT1 ATOM 3499 H2 TIP3 364 -8.893 -21.339 15.007 0.00 0.00 WAT1 ATOM 3500 OH2 TIP3 365 -8.504 -13.765 17.598 0.00 0.00 WAT1 ATOM 3501 H1 TIP3 365 -7.884 -14.442 17.325 0.00 0.00 WAT1 ATOM 3502 H2 TIP3 365 -8.712 -13.983 18.506 0.00 0.00 WAT1 ATOM 3503 OH2 TIP3 366 -10.932 -19.376 19.490 0.00 0.00 WAT1 ATOM 3504 H1 TIP3 366 -10.628 -20.062 18.896 0.00 0.00 WAT1 ATOM 3505 H2 TIP3 366 -10.210 -19.258 20.108 0.00 0.00 WAT1 ATOM 3506 OH2 TIP3 367 -14.636 -26.881 17.090 0.00 0.00 WAT1 ATOM 3507 H1 TIP3 367 -14.593 -26.021 16.672 0.00 0.00 WAT1 ATOM 3508 H2 TIP3 367 -15.094 -27.433 16.457 0.00 0.00 WAT1 ATOM 3509 OH2 TIP3 368 -12.860 -22.934 17.068 0.00 0.00 WAT1 ATOM 3510 H1 TIP3 368 -12.244 -23.460 17.577 0.00 0.00 WAT1 ATOM 3511 H2 TIP3 368 -13.446 -23.574 16.664 0.00 0.00 WAT1 ATOM 3512 OH2 TIP3 369 -8.457 -18.463 14.708 0.00 0.00 WAT1 ATOM 3513 H1 TIP3 369 -8.753 -18.785 13.857 0.00 0.00 WAT1 ATOM 3514 H2 TIP3 369 -8.781 -17.563 14.750 0.00 0.00 WAT1 ATOM 3515 OH2 TIP3 370 -13.257 -20.287 21.452 0.00 0.00 WAT1 ATOM 3516 H1 TIP3 370 -13.997 -19.689 21.555 0.00 0.00 WAT1 ATOM 3517 H2 TIP3 370 -12.543 -19.733 21.136 0.00 0.00 WAT1 ATOM 3518 OH2 TIP3 371 -11.800 -30.657 18.617 0.00 0.00 WAT1 ATOM 3519 H1 TIP3 371 -11.917 -31.606 18.563 0.00 0.00 WAT1 ATOM 3520 H2 TIP3 371 -12.655 -30.325 18.890 0.00 0.00 WAT1 ATOM 3521 OH2 TIP3 372 -6.851 -15.249 16.359 0.00 0.00 WAT1 ATOM 3522 H1 TIP3 372 -6.426 -15.956 15.874 0.00 0.00 WAT1 ATOM 3523 H2 TIP3 372 -6.534 -14.448 15.942 0.00 0.00 WAT1 ATOM 3524 OH2 TIP3 373 -9.533 -21.820 13.117 0.00 0.00 WAT1 ATOM 3525 H1 TIP3 373 -10.245 -21.285 12.766 0.00 0.00 WAT1 ATOM 3526 H2 TIP3 373 -8.842 -21.764 12.457 0.00 0.00 WAT1 ATOM 3527 OH2 TIP3 374 -9.479 -23.362 10.156 0.00 0.00 WAT1 ATOM 3528 H1 TIP3 374 -8.778 -23.340 10.807 0.00 0.00 WAT1 ATOM 3529 H2 TIP3 374 -9.177 -23.990 9.500 0.00 0.00 WAT1 ATOM 3530 OH2 TIP3 375 -13.115 -17.552 18.633 0.00 0.00 WAT1 ATOM 3531 H1 TIP3 375 -13.210 -18.130 17.876 0.00 0.00 WAT1 ATOM 3532 H2 TIP3 375 -12.386 -17.923 19.129 0.00 0.00 WAT1 ATOM 3533 OH2 TIP3 376 -14.115 -22.211 19.585 0.00 0.00 WAT1 ATOM 3534 H1 TIP3 376 -13.550 -22.090 18.822 0.00 0.00 WAT1 ATOM 3535 H2 TIP3 376 -13.796 -21.574 20.224 0.00 0.00 WAT1 ATOM 3536 OH2 TIP3 377 -13.235 -17.812 24.302 0.00 0.00 WAT1 ATOM 3537 H1 TIP3 377 -13.547 -17.030 24.758 0.00 0.00 WAT1 ATOM 3538 H2 TIP3 377 -13.885 -17.965 23.616 0.00 0.00 WAT1 ATOM 3539 OH2 TIP3 378 -9.530 -15.711 15.189 0.00 0.00 WAT1 ATOM 3540 H1 TIP3 378 -9.056 -15.416 15.967 0.00 0.00 WAT1 ATOM 3541 H2 TIP3 378 -10.093 -14.973 14.956 0.00 0.00 WAT1 ATOM 3542 OH2 TIP3 379 -15.492 -21.910 13.541 0.00 0.00 WAT1 ATOM 3543 H1 TIP3 379 -15.784 -21.142 13.050 0.00 0.00 WAT1 ATOM 3544 H2 TIP3 379 -16.166 -22.570 13.378 0.00 0.00 WAT1 ATOM 3545 OH2 TIP3 380 -1.451 -16.101 24.922 0.00 0.00 WAT1 ATOM 3546 H1 TIP3 380 -1.500 -17.056 24.885 0.00 0.00 WAT1 ATOM 3547 H2 TIP3 380 -2.277 -15.833 25.324 0.00 0.00 WAT1 ATOM 3548 OH2 TIP3 381 -10.472 -16.527 23.798 0.00 0.00 WAT1 ATOM 3549 H1 TIP3 381 -10.385 -15.701 24.273 0.00 0.00 WAT1 ATOM 3550 H2 TIP3 381 -11.336 -16.857 24.047 0.00 0.00 WAT1 ATOM 3551 OH2 TIP3 382 -10.058 -12.755 13.604 0.00 0.00 WAT1 ATOM 3552 H1 TIP3 382 -10.133 -12.876 12.658 0.00 0.00 WAT1 ATOM 3553 H2 TIP3 382 -10.025 -11.805 13.723 0.00 0.00 WAT1 ATOM 3554 OH2 TIP3 383 -6.956 -13.601 10.607 0.00 0.00 WAT1 ATOM 3555 H1 TIP3 383 -6.581 -14.345 10.136 0.00 0.00 WAT1 ATOM 3556 H2 TIP3 383 -6.952 -13.871 11.525 0.00 0.00 WAT1 ATOM 3557 OH2 TIP3 384 -4.299 -24.608 25.402 0.00 0.00 WAT1 ATOM 3558 H1 TIP3 384 -4.706 -24.127 24.682 0.00 0.00 WAT1 ATOM 3559 H2 TIP3 384 -4.258 -25.513 25.095 0.00 0.00 WAT1 ATOM 3560 OH2 TIP3 385 -9.868 -30.032 22.769 0.00 0.00 WAT1 ATOM 3561 H1 TIP3 385 -9.448 -30.447 23.522 0.00 0.00 WAT1 ATOM 3562 H2 TIP3 385 -10.801 -30.210 22.886 0.00 0.00 WAT1 ATOM 3563 OH2 TIP3 386 -5.779 -21.415 9.384 0.00 0.00 WAT1 ATOM 3564 H1 TIP3 386 -5.737 -21.638 8.454 0.00 0.00 WAT1 ATOM 3565 H2 TIP3 386 -4.930 -21.017 9.574 0.00 0.00 WAT1 ATOM 3566 OH2 TIP3 387 -14.440 -24.788 20.490 0.00 0.00 WAT1 ATOM 3567 H1 TIP3 387 -15.082 -24.829 21.199 0.00 0.00 WAT1 ATOM 3568 H2 TIP3 387 -14.403 -23.862 20.252 0.00 0.00 WAT1 ATOM 3569 OH2 TIP3 388 -14.443 -24.567 15.402 0.00 0.00 WAT1 ATOM 3570 H1 TIP3 388 -15.336 -24.908 15.343 0.00 0.00 WAT1 ATOM 3571 H2 TIP3 388 -13.992 -24.944 14.646 0.00 0.00 WAT1 ATOM 3572 OH2 TIP3 389 -9.805 -23.976 25.707 0.00 0.00 WAT1 ATOM 3573 H1 TIP3 389 -10.368 -24.680 26.027 0.00 0.00 WAT1 ATOM 3574 H2 TIP3 389 -8.979 -24.096 26.174 0.00 0.00 WAT1 ATOM 3575 OH2 TIP3 390 -13.324 -27.094 9.155 0.00 0.00 WAT1 ATOM 3576 H1 TIP3 390 -13.755 -27.539 9.885 0.00 0.00 WAT1 ATOM 3577 H2 TIP3 390 -14.042 -26.722 8.643 0.00 0.00 WAT1 ATOM 3578 OH2 TIP3 391 -11.861 -27.140 16.488 0.00 0.00 WAT1 ATOM 3579 H1 TIP3 391 -12.772 -27.083 16.777 0.00 0.00 WAT1 ATOM 3580 H2 TIP3 391 -11.356 -27.200 17.299 0.00 0.00 WAT1 ATOM 3581 OH2 TIP3 392 -13.380 -25.511 12.971 0.00 0.00 WAT1 ATOM 3582 H1 TIP3 392 -12.448 -25.382 13.149 0.00 0.00 WAT1 ATOM 3583 H2 TIP3 392 -13.595 -24.841 12.322 0.00 0.00 WAT1 ATOM 3584 OH2 TIP3 393 -14.706 -24.316 10.538 0.00 0.00 WAT1 ATOM 3585 H1 TIP3 393 -15.248 -24.696 9.847 0.00 0.00 WAT1 ATOM 3586 H2 TIP3 393 -13.872 -24.122 10.109 0.00 0.00 WAT1 ATOM 3587 OH2 TIP3 394 -10.541 -24.352 18.375 0.00 0.00 WAT1 ATOM 3588 H1 TIP3 394 -9.977 -24.899 17.828 0.00 0.00 WAT1 ATOM 3589 H2 TIP3 394 -10.689 -24.874 19.164 0.00 0.00 WAT1 ATOM 3590 OH2 TIP3 395 -15.539 -28.216 14.793 0.00 0.00 WAT1 ATOM 3591 H1 TIP3 395 -15.856 -29.118 14.758 0.00 0.00 WAT1 ATOM 3592 H2 TIP3 395 -14.758 -28.214 14.241 0.00 0.00 WAT1 ATOM 3593 OH2 TIP3 396 -11.915 -25.964 20.789 0.00 0.00 WAT1 ATOM 3594 H1 TIP3 396 -12.750 -25.510 20.899 0.00 0.00 WAT1 ATOM 3595 H2 TIP3 396 -11.391 -25.688 21.541 0.00 0.00 WAT1 ATOM 3596 OH2 TIP3 397 -11.371 -19.751 12.474 0.00 0.00 WAT1 ATOM 3597 H1 TIP3 397 -12.115 -20.258 12.151 0.00 0.00 WAT1 ATOM 3598 H2 TIP3 397 -11.505 -19.702 13.420 0.00 0.00 WAT1 ATOM 3599 OH2 TIP3 398 -9.245 -18.292 11.499 0.00 0.00 WAT1 ATOM 3600 H1 TIP3 398 -9.540 -17.466 11.881 0.00 0.00 WAT1 ATOM 3601 H2 TIP3 398 -9.948 -18.912 11.695 0.00 0.00 WAT1 ATOM 3602 OH2 TIP3 399 -12.221 -22.478 25.771 0.00 0.00 WAT1 ATOM 3603 H1 TIP3 399 -12.517 -22.644 24.876 0.00 0.00 WAT1 ATOM 3604 H2 TIP3 399 -11.290 -22.698 25.761 0.00 0.00 WAT1 ATOM 3605 OH2 TIP3 400 -7.601 -17.105 23.661 0.00 0.00 WAT1 ATOM 3606 H1 TIP3 400 -8.502 -16.922 23.393 0.00 0.00 WAT1 ATOM 3607 H2 TIP3 400 -7.567 -16.846 24.582 0.00 0.00 WAT1 ATOM 3608 OH2 TIP3 401 -1.906 -19.060 24.865 0.00 0.00 WAT1 ATOM 3609 H1 TIP3 401 -2.758 -18.822 24.498 0.00 0.00 WAT1 ATOM 3610 H2 TIP3 401 -1.316 -19.077 24.112 0.00 0.00 WAT1 ATOM 3611 OH2 TIP3 402 -11.929 -15.126 21.539 0.00 0.00 WAT1 ATOM 3612 H1 TIP3 402 -11.566 -14.271 21.306 0.00 0.00 WAT1 ATOM 3613 H2 TIP3 402 -11.397 -15.418 22.280 0.00 0.00 WAT1 ATOM 3614 OH2 TIP3 403 -6.182 -18.098 10.314 0.00 0.00 WAT1 ATOM 3615 H1 TIP3 403 -5.829 -18.478 11.118 0.00 0.00 WAT1 ATOM 3616 H2 TIP3 403 -7.131 -18.191 10.400 0.00 0.00 WAT1 ATOM 3617 OH2 TIP3 404 -5.726 -14.475 23.709 0.00 0.00 WAT1 ATOM 3618 H1 TIP3 404 -6.328 -15.030 23.214 0.00 0.00 WAT1 ATOM 3619 H2 TIP3 404 -5.445 -13.808 23.083 0.00 0.00 WAT1 ATOM 3620 OH2 TIP3 405 -10.416 -15.718 11.966 0.00 0.00 WAT1 ATOM 3621 H1 TIP3 405 -11.233 -15.221 12.019 0.00 0.00 WAT1 ATOM 3622 H2 TIP3 405 -9.887 -15.243 11.326 0.00 0.00 WAT1 ATOM 3623 OH2 TIP3 406 -10.349 -25.135 23.123 0.00 0.00 WAT1 ATOM 3624 H1 TIP3 406 -10.230 -24.561 23.880 0.00 0.00 WAT1 ATOM 3625 H2 TIP3 406 -9.694 -25.823 23.238 0.00 0.00 WAT1 ATOM 3626 OH2 TIP3 407 -14.344 -27.977 11.564 0.00 0.00 WAT1 ATOM 3627 H1 TIP3 407 -14.427 -27.088 11.910 0.00 0.00 WAT1 ATOM 3628 H2 TIP3 407 -13.454 -28.242 11.795 0.00 0.00 WAT1 ATOM 3629 OH2 TIP3 408 -4.456 -14.221 19.676 0.00 0.00 WAT1 ATOM 3630 H1 TIP3 408 -4.612 -13.543 19.019 0.00 0.00 WAT1 ATOM 3631 H2 TIP3 408 -3.524 -14.149 19.879 0.00 0.00 WAT1 ATOM 3632 OH2 TIP3 409 -10.053 -15.123 8.899 0.00 0.00 WAT1 ATOM 3633 H1 TIP3 409 -10.697 -15.754 9.221 0.00 0.00 WAT1 ATOM 3634 H2 TIP3 409 -9.291 -15.654 8.667 0.00 0.00 WAT1 ATOM 3635 OH2 TIP3 410 -7.568 -16.251 26.253 0.00 0.00 WAT1 ATOM 3636 H1 TIP3 410 -7.919 -17.107 26.496 0.00 0.00 WAT1 ATOM 3637 H2 TIP3 410 -6.842 -16.108 26.860 0.00 0.00 WAT1 ATOM 3638 OH2 TIP3 411 -5.449 -15.306 9.133 0.00 0.00 WAT1 ATOM 3639 H1 TIP3 411 -5.166 -16.100 9.586 0.00 0.00 WAT1 ATOM 3640 H2 TIP3 411 -4.709 -15.073 8.572 0.00 0.00 WAT1 ATOM 3641 OH2 TIP3 412 -12.180 -19.770 26.291 0.00 0.00 WAT1 ATOM 3642 H1 TIP3 412 -12.508 -19.499 25.433 0.00 0.00 WAT1 ATOM 3643 H2 TIP3 412 -12.028 -20.711 26.203 0.00 0.00 WAT1 ATOM 3644 OH2 TIP3 413 -9.142 -18.349 8.726 0.00 0.00 WAT1 ATOM 3645 H1 TIP3 413 -9.410 -18.169 9.627 0.00 0.00 WAT1 ATOM 3646 H2 TIP3 413 -9.348 -19.275 8.595 0.00 0.00 WAT1 ATOM 3647 OH2 TIP3 414 -13.345 -21.424 11.296 0.00 0.00 WAT1 ATOM 3648 H1 TIP3 414 -13.804 -21.908 11.982 0.00 0.00 WAT1 ATOM 3649 H2 TIP3 414 -13.090 -22.092 10.660 0.00 0.00 WAT1 ATOM 3650 OH2 TIP3 415 -14.056 -23.531 23.652 0.00 0.00 WAT1 ATOM 3651 H1 TIP3 415 -14.674 -22.856 23.933 0.00 0.00 WAT1 ATOM 3652 H2 TIP3 415 -13.712 -23.210 22.819 0.00 0.00 WAT1 ATOM 3653 OH2 TIP3 416 -12.274 -23.181 9.559 0.00 0.00 WAT1 ATOM 3654 H1 TIP3 416 -12.454 -23.335 8.631 0.00 0.00 WAT1 ATOM 3655 H2 TIP3 416 -11.323 -23.073 9.603 0.00 0.00 WAT1 ATOM 3656 OH2 TIP3 417 -9.036 -21.060 26.930 0.00 0.00 WAT1 ATOM 3657 H1 TIP3 417 -8.083 -20.976 26.902 0.00 0.00 WAT1 ATOM 3658 H2 TIP3 417 -9.196 -21.771 27.549 0.00 0.00 WAT1 ATOM 3659 OH2 TIP3 418 -2.884 -20.826 9.004 0.00 0.00 WAT1 ATOM 3660 H1 TIP3 418 -3.157 -21.251 8.191 0.00 0.00 WAT1 ATOM 3661 H2 TIP3 418 -2.844 -19.895 8.787 0.00 0.00 WAT1 ATOM 3662 OH2 TIP3 419 -13.716 -26.176 24.735 0.00 0.00 WAT1 ATOM 3663 H1 TIP3 419 -13.566 -26.905 24.132 0.00 0.00 WAT1 ATOM 3664 H2 TIP3 419 -13.714 -25.399 24.176 0.00 0.00 WAT1 ATOM 3665 OH2 TIP3 420 -13.304 -27.806 22.227 0.00 0.00 WAT1 ATOM 3666 H1 TIP3 420 -12.768 -27.355 21.575 0.00 0.00 WAT1 ATOM 3667 H2 TIP3 420 -14.156 -27.914 21.805 0.00 0.00 WAT1 ATOM 3668 OH2 TIP3 421 -11.722 -22.367 22.467 0.00 0.00 WAT1 ATOM 3669 H1 TIP3 421 -10.971 -22.523 21.894 0.00 0.00 WAT1 ATOM 3670 H2 TIP3 421 -12.061 -21.515 22.191 0.00 0.00 WAT1 ATOM 3671 OH2 TIP3 422 -7.306 -24.552 27.495 0.00 0.00 WAT1 ATOM 3672 H1 TIP3 422 -7.114 -25.483 27.384 0.00 0.00 WAT1 ATOM 3673 H2 TIP3 422 -6.449 -24.127 27.485 0.00 0.00 WAT1 ATOM 3674 OH2 TIP3 423 -5.990 -21.763 25.573 0.00 0.00 WAT1 ATOM 3675 H1 TIP3 423 -6.271 -21.054 24.995 0.00 0.00 WAT1 ATOM 3676 H2 TIP3 423 -5.047 -21.836 25.422 0.00 0.00 WAT1 ATOM 3677 OH2 TIP3 424 -12.498 -30.350 22.659 0.00 0.00 WAT1 ATOM 3678 H1 TIP3 424 -12.596 -29.403 22.553 0.00 0.00 WAT1 ATOM 3679 H2 TIP3 424 -13.241 -30.722 22.183 0.00 0.00 WAT1 ATOM 3680 OH2 TIP3 425 -11.234 -26.028 26.222 0.00 0.00 WAT1 ATOM 3681 H1 TIP3 425 -11.470 -26.248 27.124 0.00 0.00 WAT1 ATOM 3682 H2 TIP3 425 -12.017 -26.235 25.713 0.00 0.00 WAT1 ATOM 3683 OH2 TIP3 426 -8.518 -26.901 25.298 0.00 0.00 WAT1 ATOM 3684 H1 TIP3 426 -9.466 -26.869 25.430 0.00 0.00 WAT1 ATOM 3685 H2 TIP3 426 -8.206 -27.526 25.952 0.00 0.00 WAT1 ATOM 3686 OH2 TIP3 427 -6.884 -28.267 27.303 0.00 0.00 WAT1 ATOM 3687 H1 TIP3 427 -6.981 -29.219 27.297 0.00 0.00 WAT1 ATOM 3688 H2 TIP3 427 -7.206 -27.998 28.164 0.00 0.00 WAT1 ATOM 3689 OH2 TIP3 428 -2.177 -14.004 22.827 0.00 0.00 WAT1 ATOM 3690 H1 TIP3 428 -2.664 -14.739 22.456 0.00 0.00 WAT1 ATOM 3691 H2 TIP3 428 -1.628 -14.397 23.505 0.00 0.00 WAT1 ATOM 3692 OH2 TIP3 429 -3.726 -18.214 27.465 0.00 0.00 WAT1 ATOM 3693 H1 TIP3 429 -4.592 -18.319 27.859 0.00 0.00 WAT1 ATOM 3694 H2 TIP3 429 -3.350 -17.455 27.912 0.00 0.00 WAT1 ATOM 3695 OH2 TIP3 430 -3.785 -16.241 22.058 0.00 0.00 WAT1 ATOM 3696 H1 TIP3 430 -4.433 -15.916 22.683 0.00 0.00 WAT1 ATOM 3697 H2 TIP3 430 -4.303 -16.681 21.383 0.00 0.00 WAT1 ATOM 3698 OH2 TIP3 431 -3.388 -21.413 25.005 0.00 0.00 WAT1 ATOM 3699 H1 TIP3 431 -2.805 -22.147 25.196 0.00 0.00 WAT1 ATOM 3700 H2 TIP3 431 -2.824 -20.641 25.051 0.00 0.00 WAT1 ATOM 3701 OH2 TIP3 432 -1.891 -23.510 25.689 0.00 0.00 WAT1 ATOM 3702 H1 TIP3 432 -2.754 -23.889 25.524 0.00 0.00 WAT1 ATOM 3703 H2 TIP3 432 -1.287 -24.249 25.615 0.00 0.00 WAT1 ATOM 3704 OH2 TIP3 433 -1.610 -30.502 27.394 0.00 0.00 WAT1 ATOM 3705 H1 TIP3 433 -1.260 -31.156 26.788 0.00 0.00 WAT1 ATOM 3706 H2 TIP3 433 -1.463 -29.665 26.954 0.00 0.00 WAT1 ATOM 3707 OH2 TIP3 434 -2.090 -28.393 25.743 0.00 0.00 WAT1 ATOM 3708 H1 TIP3 434 -3.007 -28.122 25.707 0.00 0.00 WAT1 ATOM 3709 H2 TIP3 434 -1.967 -28.928 24.959 0.00 0.00 WAT1 ATOM 3710 OH2 TIP3 435 -7.756 -13.955 21.477 0.00 0.00 WAT1 ATOM 3711 H1 TIP3 435 -8.660 -13.790 21.211 0.00 0.00 WAT1 ATOM 3712 H2 TIP3 435 -7.327 -13.102 21.411 0.00 0.00 WAT1 ATOM 3713 OH2 TIP3 436 -5.151 -12.385 21.772 0.00 0.00 WAT1 ATOM 3714 H1 TIP3 436 -5.333 -11.469 21.561 0.00 0.00 WAT1 ATOM 3715 H2 TIP3 436 -4.975 -12.795 20.925 0.00 0.00 WAT1 ATOM 3716 OH2 TIP3 437 -9.659 -28.854 17.885 0.00 0.00 WAT1 ATOM 3717 H1 TIP3 437 -10.334 -29.483 18.140 0.00 0.00 WAT1 ATOM 3718 H2 TIP3 437 -9.095 -29.338 17.282 0.00 0.00 WAT1 ATOM 3719 OH2 TIP3 438 -12.753 -30.293 15.520 0.00 0.00 WAT1 ATOM 3720 H1 TIP3 438 -11.879 -29.905 15.490 0.00 0.00 WAT1 ATOM 3721 H2 TIP3 438 -12.889 -30.508 16.443 0.00 0.00 WAT1 ATOM 3722 OH2 TIP3 439 -9.731 -13.264 10.805 0.00 0.00 WAT1 ATOM 3723 H1 TIP3 439 -8.865 -12.898 10.627 0.00 0.00 WAT1 ATOM 3724 H2 TIP3 439 -9.978 -13.704 9.992 0.00 0.00 WAT1 ATOM 3725 OH2 TIP3 440 -6.980 -31.023 26.942 0.00 0.00 WAT1 ATOM 3726 H1 TIP3 440 -6.904 -31.449 27.796 0.00 0.00 WAT1 ATOM 3727 H2 TIP3 440 -6.087 -31.009 26.600 0.00 0.00 WAT1 ATOM 3728 OH2 TIP3 441 -3.804 -14.950 25.635 0.00 0.00 WAT1 ATOM 3729 H1 TIP3 441 -4.586 -15.136 25.115 0.00 0.00 WAT1 ATOM 3730 H2 TIP3 441 -3.876 -14.021 25.852 0.00 0.00 WAT1 ATOM 3731 OH2 TIP3 442 -9.479 -23.362 29.012 0.00 0.00 WAT1 ATOM 3732 H1 TIP3 442 -8.778 -23.340 29.663 0.00 0.00 WAT1 ATOM 3733 H2 TIP3 442 -9.177 -23.990 28.356 0.00 0.00 WAT1 ATOM 3734 OH2 TIP3 443 -3.558 -30.698 30.423 0.00 0.00 WAT1 ATOM 3735 H1 TIP3 443 -4.457 -30.559 30.718 0.00 0.00 WAT1 ATOM 3736 H2 TIP3 443 -3.306 -29.867 30.021 0.00 0.00 WAT1 ATOM 3737 OH2 TIP3 444 -5.779 -21.415 28.240 0.00 0.00 WAT1 ATOM 3738 H1 TIP3 444 -5.737 -21.638 27.310 0.00 0.00 WAT1 ATOM 3739 H2 TIP3 444 -4.930 -21.017 28.430 0.00 0.00 WAT1 ATOM 3740 OH2 TIP3 445 -9.142 -18.349 27.582 0.00 0.00 WAT1 ATOM 3741 H1 TIP3 445 -9.410 -18.169 28.483 0.00 0.00 WAT1 ATOM 3742 H2 TIP3 445 -9.348 -19.275 27.451 0.00 0.00 WAT1 ATOM 3743 OH2 TIP3 446 -12.274 -23.181 28.415 0.00 0.00 WAT1 ATOM 3744 H1 TIP3 446 -12.454 -23.335 27.487 0.00 0.00 WAT1 ATOM 3745 H2 TIP3 446 -11.323 -23.073 28.459 0.00 0.00 WAT1 ATOM 3746 OH2 TIP3 447 -2.884 -20.826 27.860 0.00 0.00 WAT1 ATOM 3747 H1 TIP3 447 -3.157 -21.251 27.047 0.00 0.00 WAT1 ATOM 3748 H2 TIP3 447 -2.844 -19.895 27.643 0.00 0.00 WAT1 ATOM 3749 OH2 TIP3 448 -3.414 -24.763 28.601 0.00 0.00 WAT1 ATOM 3750 H1 TIP3 448 -3.317 -24.096 27.921 0.00 0.00 WAT1 ATOM 3751 H2 TIP3 448 -3.554 -25.579 28.119 0.00 0.00 WAT1 ATOM 3752 OH2 TIP3 449 -4.166 -27.355 27.718 0.00 0.00 WAT1 ATOM 3753 H1 TIP3 449 -3.556 -27.727 28.355 0.00 0.00 WAT1 ATOM 3754 H2 TIP3 449 -5.003 -27.777 27.914 0.00 0.00 WAT1 ATOM 3755 OH2 TIP3 450 -2.054 -28.470 29.261 0.00 0.00 WAT1 ATOM 3756 H1 TIP3 450 -1.641 -29.191 28.785 0.00 0.00 WAT1 ATOM 3757 H2 TIP3 450 -1.372 -27.800 29.319 0.00 0.00 WAT1 ATOM 3758 OH2 TIP3 451 -2.269 -8.919 1.495 0.00 0.00 WAT1 ATOM 3759 H1 TIP3 451 -2.220 -8.309 2.231 0.00 0.00 WAT1 ATOM 3760 H2 TIP3 451 -1.843 -8.458 0.772 0.00 0.00 WAT1 ATOM 3761 OH2 TIP3 452 -3.558 -11.842 -7.289 0.00 0.00 WAT1 ATOM 3762 H1 TIP3 452 -4.457 -11.703 -6.994 0.00 0.00 WAT1 ATOM 3763 H2 TIP3 452 -3.306 -11.011 -7.691 0.00 0.00 WAT1 ATOM 3764 OH2 TIP3 453 -4.299 -5.752 6.546 0.00 0.00 WAT1 ATOM 3765 H1 TIP3 453 -4.706 -5.271 5.826 0.00 0.00 WAT1 ATOM 3766 H2 TIP3 453 -4.258 -6.657 6.239 0.00 0.00 WAT1 ATOM 3767 OH2 TIP3 454 -4.145 -8.372 5.102 0.00 0.00 WAT1 ATOM 3768 H1 TIP3 454 -5.061 -8.109 5.014 0.00 0.00 WAT1 ATOM 3769 H2 TIP3 454 -3.809 -8.375 4.205 0.00 0.00 WAT1 ATOM 3770 OH2 TIP3 455 -7.306 -5.696 8.639 0.00 0.00 WAT1 ATOM 3771 H1 TIP3 455 -7.114 -6.627 8.528 0.00 0.00 WAT1 ATOM 3772 H2 TIP3 455 -6.449 -5.271 8.629 0.00 0.00 WAT1 ATOM 3773 OH2 TIP3 456 -6.884 -9.411 8.447 0.00 0.00 WAT1 ATOM 3774 H1 TIP3 456 -6.981 -10.363 8.441 0.00 0.00 WAT1 ATOM 3775 H2 TIP3 456 -7.206 -9.142 9.308 0.00 0.00 WAT1 ATOM 3776 OH2 TIP3 457 -1.891 -4.654 6.833 0.00 0.00 WAT1 ATOM 3777 H1 TIP3 457 -2.754 -5.033 6.668 0.00 0.00 WAT1 ATOM 3778 H2 TIP3 457 -1.287 -5.393 6.759 0.00 0.00 WAT1 ATOM 3779 OH2 TIP3 458 -2.090 -9.537 6.887 0.00 0.00 WAT1 ATOM 3780 H1 TIP3 458 -3.007 -9.266 6.851 0.00 0.00 WAT1 ATOM 3781 H2 TIP3 458 -1.967 -10.072 6.103 0.00 0.00 WAT1 ATOM 3782 OH2 TIP3 459 -3.089 -11.447 4.706 0.00 0.00 WAT1 ATOM 3783 H1 TIP3 459 -3.902 -11.122 4.318 0.00 0.00 WAT1 ATOM 3784 H2 TIP3 459 -2.856 -12.207 4.173 0.00 0.00 WAT1 ATOM 3785 OH2 TIP3 460 -4.517 -11.891 -0.859 0.00 0.00 WAT1 ATOM 3786 H1 TIP3 460 -3.913 -11.343 -1.360 0.00 0.00 WAT1 ATOM 3787 H2 TIP3 460 -5.386 -11.571 -1.099 0.00 0.00 WAT1 ATOM 3788 OH2 TIP3 461 -2.790 -10.752 -2.525 0.00 0.00 WAT1 ATOM 3789 H1 TIP3 461 -2.178 -11.266 -3.052 0.00 0.00 WAT1 ATOM 3790 H2 TIP3 461 -2.407 -9.874 -2.502 0.00 0.00 WAT1 ATOM 3791 OH2 TIP3 462 -6.980 -12.167 8.086 0.00 0.00 WAT1 ATOM 3792 H1 TIP3 462 -6.904 -12.593 8.940 0.00 0.00 WAT1 ATOM 3793 H2 TIP3 462 -6.087 -12.153 7.744 0.00 0.00 WAT1 ATOM 3794 OH2 TIP3 463 -8.254 -2.208 15.665 0.00 0.00 WAT1 ATOM 3795 H1 TIP3 463 -8.165 -1.264 15.533 0.00 0.00 WAT1 ATOM 3796 H2 TIP3 463 -8.893 -2.483 15.007 0.00 0.00 WAT1 ATOM 3797 OH2 TIP3 464 -9.321 -2.953 19.084 0.00 0.00 WAT1 ATOM 3798 H1 TIP3 464 -9.359 -3.599 19.789 0.00 0.00 WAT1 ATOM 3799 H2 TIP3 464 -9.644 -3.419 18.313 0.00 0.00 WAT1 ATOM 3800 OH2 TIP3 465 -5.615 -0.014 17.386 0.00 0.00 WAT1 ATOM 3801 H1 TIP3 465 -6.056 -0.734 17.836 0.00 0.00 WAT1 ATOM 3802 H2 TIP3 465 -5.628 0.707 18.016 0.00 0.00 WAT1 ATOM 3803 OH2 TIP3 466 -2.269 -8.919 20.351 0.00 0.00 WAT1 ATOM 3804 H1 TIP3 466 -2.220 -8.309 21.087 0.00 0.00 WAT1 ATOM 3805 H2 TIP3 466 -1.843 -8.458 19.628 0.00 0.00 WAT1 ATOM 3806 OH2 TIP3 467 -12.860 -4.078 17.068 0.00 0.00 WAT1 ATOM 3807 H1 TIP3 467 -12.244 -4.604 17.577 0.00 0.00 WAT1 ATOM 3808 H2 TIP3 467 -13.446 -4.718 16.664 0.00 0.00 WAT1 ATOM 3809 OH2 TIP3 468 -1.877 -7.441 22.587 0.00 0.00 WAT1 ATOM 3810 H1 TIP3 468 -2.566 -6.783 22.492 0.00 0.00 WAT1 ATOM 3811 H2 TIP3 468 -1.862 -7.638 23.524 0.00 0.00 WAT1 ATOM 3812 OH2 TIP3 469 -8.457 0.393 14.708 0.00 0.00 WAT1 ATOM 3813 H1 TIP3 469 -8.753 0.071 13.857 0.00 0.00 WAT1 ATOM 3814 H2 TIP3 469 -8.781 1.293 14.750 0.00 0.00 WAT1 ATOM 3815 OH2 TIP3 470 -5.103 1.826 19.734 0.00 0.00 WAT1 ATOM 3816 H1 TIP3 470 -6.045 1.884 19.895 0.00 0.00 WAT1 ATOM 3817 H2 TIP3 470 -4.827 2.732 19.597 0.00 0.00 WAT1 ATOM 3818 OH2 TIP3 471 -4.803 -9.888 21.151 0.00 0.00 WAT1 ATOM 3819 H1 TIP3 471 -5.539 -9.277 21.113 0.00 0.00 WAT1 ATOM 3820 H2 TIP3 471 -4.119 -9.473 20.625 0.00 0.00 WAT1 ATOM 3821 OH2 TIP3 472 -4.006 0.074 23.345 0.00 0.00 WAT1 ATOM 3822 H1 TIP3 472 -3.866 -0.517 22.606 0.00 0.00 WAT1 ATOM 3823 H2 TIP3 472 -3.838 0.947 22.989 0.00 0.00 WAT1 ATOM 3824 OH2 TIP3 473 -9.533 -2.964 13.117 0.00 0.00 WAT1 ATOM 3825 H1 TIP3 473 -10.245 -2.429 12.766 0.00 0.00 WAT1 ATOM 3826 H2 TIP3 473 -8.842 -2.908 12.457 0.00 0.00 WAT1 ATOM 3827 OH2 TIP3 474 -9.479 -4.506 10.156 0.00 0.00 WAT1 ATOM 3828 H1 TIP3 474 -8.778 -4.484 10.807 0.00 0.00 WAT1 ATOM 3829 H2 TIP3 474 -9.177 -5.134 9.500 0.00 0.00 WAT1 ATOM 3830 OH2 TIP3 475 -2.164 -3.586 21.411 0.00 0.00 WAT1 ATOM 3831 H1 TIP3 475 -2.816 -2.891 21.500 0.00 0.00 WAT1 ATOM 3832 H2 TIP3 475 -1.699 -3.376 20.601 0.00 0.00 WAT1 ATOM 3833 OH2 TIP3 476 -6.127 -2.754 14.069 0.00 0.00 WAT1 ATOM 3834 H1 TIP3 476 -6.859 -2.526 14.642 0.00 0.00 WAT1 ATOM 3835 H2 TIP3 476 -5.680 -3.468 14.524 0.00 0.00 WAT1 ATOM 3836 OH2 TIP3 477 -6.230 -4.580 23.137 0.00 0.00 WAT1 ATOM 3837 H1 TIP3 477 -6.150 -3.817 23.709 0.00 0.00 WAT1 ATOM 3838 H2 TIP3 477 -6.831 -4.301 22.446 0.00 0.00 WAT1 ATOM 3839 OH2 TIP3 478 -7.256 -3.592 11.754 0.00 0.00 WAT1 ATOM 3840 H1 TIP3 478 -6.677 -3.442 12.501 0.00 0.00 WAT1 ATOM 3841 H2 TIP3 478 -6.842 -3.121 11.031 0.00 0.00 WAT1 ATOM 3842 OH2 TIP3 479 -4.299 -5.752 25.402 0.00 0.00 WAT1 ATOM 3843 H1 TIP3 479 -4.706 -5.271 24.682 0.00 0.00 WAT1 ATOM 3844 H2 TIP3 479 -4.258 -6.657 25.095 0.00 0.00 WAT1 ATOM 3845 OH2 TIP3 480 -6.542 -7.420 23.623 0.00 0.00 WAT1 ATOM 3846 H1 TIP3 480 -7.056 -7.546 24.420 0.00 0.00 WAT1 ATOM 3847 H2 TIP3 480 -6.697 -6.508 23.378 0.00 0.00 WAT1 ATOM 3848 OH2 TIP3 481 -5.779 -2.559 9.384 0.00 0.00 WAT1 ATOM 3849 H1 TIP3 481 -5.737 -2.782 8.454 0.00 0.00 WAT1 ATOM 3850 H2 TIP3 481 -4.930 -2.161 9.574 0.00 0.00 WAT1 ATOM 3851 OH2 TIP3 482 -10.206 -8.683 10.054 0.00 0.00 WAT1 ATOM 3852 H1 TIP3 482 -10.460 -8.664 10.977 0.00 0.00 WAT1 ATOM 3853 H2 TIP3 482 -10.463 -9.555 9.753 0.00 0.00 WAT1 ATOM 3854 OH2 TIP3 483 -8.907 -5.295 14.219 0.00 0.00 WAT1 ATOM 3855 H1 TIP3 483 -9.316 -4.480 13.927 0.00 0.00 WAT1 ATOM 3856 H2 TIP3 483 -8.187 -5.435 13.604 0.00 0.00 WAT1 ATOM 3857 OH2 TIP3 484 -8.639 -4.211 21.704 0.00 0.00 WAT1 ATOM 3858 H1 TIP3 484 -8.315 -4.842 21.061 0.00 0.00 WAT1 ATOM 3859 H2 TIP3 484 -9.079 -4.746 22.365 0.00 0.00 WAT1 ATOM 3860 OH2 TIP3 485 -11.861 -8.284 16.488 0.00 0.00 WAT1 ATOM 3861 H1 TIP3 485 -12.772 -8.227 16.777 0.00 0.00 WAT1 ATOM 3862 H2 TIP3 485 -11.356 -8.344 17.299 0.00 0.00 WAT1 ATOM 3863 OH2 TIP3 486 -7.456 -9.049 19.752 0.00 0.00 WAT1 ATOM 3864 H1 TIP3 486 -8.133 -8.918 20.416 0.00 0.00 WAT1 ATOM 3865 H2 TIP3 486 -7.942 -9.204 18.942 0.00 0.00 WAT1 ATOM 3866 OH2 TIP3 487 -10.541 -5.496 18.375 0.00 0.00 WAT1 ATOM 3867 H1 TIP3 487 -9.977 -6.043 17.828 0.00 0.00 WAT1 ATOM 3868 H2 TIP3 487 -10.689 -6.018 19.164 0.00 0.00 WAT1 ATOM 3869 OH2 TIP3 488 -11.915 -7.108 20.789 0.00 0.00 WAT1 ATOM 3870 H1 TIP3 488 -12.750 -6.654 20.899 0.00 0.00 WAT1 ATOM 3871 H2 TIP3 488 -11.391 -6.832 21.541 0.00 0.00 WAT1 ATOM 3872 OH2 TIP3 489 -4.221 -1.762 21.260 0.00 0.00 WAT1 ATOM 3873 H1 TIP3 489 -3.579 -1.305 20.717 0.00 0.00 WAT1 ATOM 3874 H2 TIP3 489 -5.051 -1.649 20.798 0.00 0.00 WAT1 ATOM 3875 OH2 TIP3 490 -7.473 -8.081 10.673 0.00 0.00 WAT1 ATOM 3876 H1 TIP3 490 -8.411 -7.969 10.522 0.00 0.00 WAT1 ATOM 3877 H2 TIP3 490 -7.176 -7.224 10.979 0.00 0.00 WAT1 ATOM 3878 OH2 TIP3 491 -6.414 -2.410 19.515 0.00 0.00 WAT1 ATOM 3879 H1 TIP3 491 -7.342 -2.642 19.488 0.00 0.00 WAT1 ATOM 3880 H2 TIP3 491 -5.963 -3.187 19.185 0.00 0.00 WAT1 ATOM 3881 OH2 TIP3 492 -8.385 -0.171 21.240 0.00 0.00 WAT1 ATOM 3882 H1 TIP3 492 -8.811 -0.398 22.066 0.00 0.00 WAT1 ATOM 3883 H2 TIP3 492 -7.804 -0.909 21.057 0.00 0.00 WAT1 ATOM 3884 OH2 TIP3 493 -5.316 -0.569 12.540 0.00 0.00 WAT1 ATOM 3885 H1 TIP3 493 -5.593 -1.297 13.096 0.00 0.00 WAT1 ATOM 3886 H2 TIP3 493 -4.389 -0.450 12.746 0.00 0.00 WAT1 ATOM 3887 OH2 TIP3 494 -8.869 -8.645 22.006 0.00 0.00 WAT1 ATOM 3888 H1 TIP3 494 -8.171 -8.571 22.656 0.00 0.00 WAT1 ATOM 3889 H2 TIP3 494 -9.250 -9.509 22.161 0.00 0.00 WAT1 ATOM 3890 OH2 TIP3 495 -8.085 -8.993 13.103 0.00 0.00 WAT1 ATOM 3891 H1 TIP3 495 -7.865 -8.521 12.300 0.00 0.00 WAT1 ATOM 3892 H2 TIP3 495 -7.527 -8.598 13.774 0.00 0.00 WAT1 ATOM 3893 OH2 TIP3 496 -10.885 -7.265 13.938 0.00 0.00 WAT1 ATOM 3894 H1 TIP3 496 -10.073 -6.761 13.984 0.00 0.00 WAT1 ATOM 3895 H2 TIP3 496 -11.130 -7.410 14.852 0.00 0.00 WAT1 ATOM 3896 OH2 TIP3 497 -10.349 -6.279 23.123 0.00 0.00 WAT1 ATOM 3897 H1 TIP3 497 -10.230 -5.705 23.880 0.00 0.00 WAT1 ATOM 3898 H2 TIP3 497 -9.694 -6.967 23.238 0.00 0.00 WAT1 ATOM 3899 OH2 TIP3 498 -10.001 -10.184 14.876 0.00 0.00 WAT1 ATOM 3900 H1 TIP3 498 -10.348 -9.566 15.521 0.00 0.00 WAT1 ATOM 3901 H2 TIP3 498 -9.343 -9.683 14.395 0.00 0.00 WAT1 ATOM 3902 OH2 TIP3 499 -4.145 -8.372 23.958 0.00 0.00 WAT1 ATOM 3903 H1 TIP3 499 -5.061 -8.109 23.870 0.00 0.00 WAT1 ATOM 3904 H2 TIP3 499 -3.809 -8.375 23.061 0.00 0.00 WAT1 ATOM 3905 OH2 TIP3 500 -6.445 -0.998 23.674 0.00 0.00 WAT1 ATOM 3906 H1 TIP3 500 -5.700 -0.410 23.554 0.00 0.00 WAT1 ATOM 3907 H2 TIP3 500 -7.202 -0.416 23.737 0.00 0.00 WAT1 ATOM 3908 OH2 TIP3 501 -2.425 -1.101 12.979 0.00 0.00 WAT1 ATOM 3909 H1 TIP3 501 -1.575 -0.680 13.107 0.00 0.00 WAT1 ATOM 3910 H2 TIP3 501 -2.420 -1.841 13.587 0.00 0.00 WAT1 ATOM 3911 OH2 TIP3 502 -2.031 -3.048 14.803 0.00 0.00 WAT1 ATOM 3912 H1 TIP3 502 -2.757 -3.527 15.201 0.00 0.00 WAT1 ATOM 3913 H2 TIP3 502 -1.450 -2.842 15.535 0.00 0.00 WAT1 ATOM 3914 OH2 TIP3 503 -2.272 -0.263 19.751 0.00 0.00 WAT1 ATOM 3915 H1 TIP3 503 -1.438 -0.641 19.470 0.00 0.00 WAT1 ATOM 3916 H2 TIP3 503 -2.160 0.680 19.632 0.00 0.00 WAT1 ATOM 3917 OH2 TIP3 504 -1.763 -3.147 11.194 0.00 0.00 WAT1 ATOM 3918 H1 TIP3 504 -2.284 -2.790 10.475 0.00 0.00 WAT1 ATOM 3919 H2 TIP3 504 -1.796 -2.472 11.872 0.00 0.00 WAT1 ATOM 3920 OH2 TIP3 505 -3.414 -5.907 9.745 0.00 0.00 WAT1 ATOM 3921 H1 TIP3 505 -3.317 -5.240 9.065 0.00 0.00 WAT1 ATOM 3922 H2 TIP3 505 -3.554 -6.723 9.263 0.00 0.00 WAT1 ATOM 3923 OH2 TIP3 506 -3.388 -2.557 25.005 0.00 0.00 WAT1 ATOM 3924 H1 TIP3 506 -2.805 -3.291 25.196 0.00 0.00 WAT1 ATOM 3925 H2 TIP3 506 -2.824 -1.785 25.051 0.00 0.00 WAT1 ATOM 3926 OH2 TIP3 507 -1.891 -4.654 25.689 0.00 0.00 WAT1 ATOM 3927 H1 TIP3 507 -2.754 -5.033 25.524 0.00 0.00 WAT1 ATOM 3928 H2 TIP3 507 -1.287 -5.393 25.615 0.00 0.00 WAT1 ATOM 3929 OH2 TIP3 508 -4.166 -8.499 8.862 0.00 0.00 WAT1 ATOM 3930 H1 TIP3 508 -3.556 -8.871 9.499 0.00 0.00 WAT1 ATOM 3931 H2 TIP3 508 -5.003 -8.921 9.058 0.00 0.00 WAT1 ATOM 3932 OH2 TIP3 509 -2.090 -9.537 25.743 0.00 0.00 WAT1 ATOM 3933 H1 TIP3 509 -3.007 -9.266 25.707 0.00 0.00 WAT1 ATOM 3934 H2 TIP3 509 -1.967 -10.072 24.959 0.00 0.00 WAT1 ATOM 3935 OH2 TIP3 510 -3.089 -11.447 23.562 0.00 0.00 WAT1 ATOM 3936 H1 TIP3 510 -3.902 -11.122 23.174 0.00 0.00 WAT1 ATOM 3937 H2 TIP3 510 -2.856 -12.207 23.029 0.00 0.00 WAT1 ATOM 3938 OH2 TIP3 511 -9.659 -9.998 17.885 0.00 0.00 WAT1 ATOM 3939 H1 TIP3 511 -10.334 -10.627 18.140 0.00 0.00 WAT1 ATOM 3940 H2 TIP3 511 -9.095 -10.482 17.282 0.00 0.00 WAT1 ATOM 3941 OH2 TIP3 512 -7.196 -11.407 17.169 0.00 0.00 WAT1 ATOM 3942 H1 TIP3 512 -7.120 -11.312 16.220 0.00 0.00 WAT1 ATOM 3943 H2 TIP3 512 -7.472 -12.315 17.298 0.00 0.00 WAT1 ATOM 3944 OH2 TIP3 513 -11.609 -9.357 12.410 0.00 0.00 WAT1 ATOM 3945 H1 TIP3 513 -11.431 -10.003 13.093 0.00 0.00 WAT1 ATOM 3946 H2 TIP3 513 -11.663 -8.523 12.877 0.00 0.00 WAT1 ATOM 3947 OH2 TIP3 514 14.850 -56.494 -14.367 0.00 0.00 WAT1 ATOM 3948 H1 TIP3 514 14.990 -57.085 -15.106 0.00 0.00 WAT1 ATOM 3949 H2 TIP3 514 15.018 -55.621 -14.723 0.00 0.00 WAT1 ATOM 3950 OH2 TIP3 515 11.050 -54.420 -17.393 0.00 0.00 WAT1 ATOM 3951 H1 TIP3 515 10.809 -53.758 -16.745 0.00 0.00 WAT1 ATOM 3952 H2 TIP3 515 10.852 -55.254 -16.968 0.00 0.00 WAT1 ATOM 3953 OH2 TIP3 516 5.621 -55.524 -13.410 0.00 0.00 WAT1 ATOM 3954 H1 TIP3 516 5.309 -54.742 -12.954 0.00 0.00 WAT1 ATOM 3955 H2 TIP3 516 4.971 -55.677 -14.096 0.00 0.00 WAT1 ATOM 3956 OH2 TIP3 517 3.860 -53.452 -12.646 0.00 0.00 WAT1 ATOM 3957 H1 TIP3 517 3.868 -53.588 -13.594 0.00 0.00 WAT1 ATOM 3958 H2 TIP3 517 2.944 -53.570 -12.394 0.00 0.00 WAT1 ATOM 3959 OH2 TIP3 518 17.405 -53.813 -12.790 0.00 0.00 WAT1 ATOM 3960 H1 TIP3 518 17.356 -54.768 -12.827 0.00 0.00 WAT1 ATOM 3961 H2 TIP3 518 16.579 -53.545 -12.388 0.00 0.00 WAT1 ATOM 3962 OH2 TIP3 519 8.384 -54.239 -13.914 0.00 0.00 WAT1 ATOM 3963 H1 TIP3 519 8.471 -53.413 -13.439 0.00 0.00 WAT1 ATOM 3964 H2 TIP3 519 7.520 -54.569 -13.665 0.00 0.00 WAT1 ATOM 3965 OH2 TIP3 520 9.005 -57.279 -14.001 0.00 0.00 WAT1 ATOM 3966 H1 TIP3 520 8.659 -57.660 -13.195 0.00 0.00 WAT1 ATOM 3967 H2 TIP3 520 8.805 -56.345 -13.930 0.00 0.00 WAT1 ATOM 3968 OH2 TIP3 521 11.255 -54.817 -14.051 0.00 0.00 WAT1 ATOM 3969 H1 TIP3 521 10.354 -54.634 -14.319 0.00 0.00 WAT1 ATOM 3970 H2 TIP3 521 11.289 -54.558 -13.130 0.00 0.00 WAT1 ATOM 3971 OH2 TIP3 522 6.927 -52.838 -16.173 0.00 0.00 WAT1 ATOM 3972 H1 TIP3 522 7.290 -51.983 -16.406 0.00 0.00 WAT1 ATOM 3973 H2 TIP3 522 7.459 -53.130 -15.432 0.00 0.00 WAT1 ATOM 3974 OH2 TIP3 523 10.471 -56.739 -16.472 0.00 0.00 WAT1 ATOM 3975 H1 TIP3 523 10.045 -56.966 -15.646 0.00 0.00 WAT1 ATOM 3976 H2 TIP3 523 11.052 -57.477 -16.655 0.00 0.00 WAT1 ATOM 3977 OH2 TIP3 524 13.130 -52.187 -14.003 0.00 0.00 WAT1 ATOM 3978 H1 TIP3 524 12.528 -52.742 -14.498 0.00 0.00 WAT1 ATOM 3979 H2 TIP3 524 13.411 -51.520 -14.629 0.00 0.00 WAT1 ATOM 3980 OH2 TIP3 525 0.114 -51.262 -11.808 0.00 0.00 WAT1 ATOM 3981 H1 TIP3 525 0.654 -51.479 -11.049 0.00 0.00 WAT1 ATOM 3982 H2 TIP3 525 -0.367 -52.068 -11.998 0.00 0.00 WAT1 ATOM 3983 OH2 TIP3 526 4.711 -52.343 -10.188 0.00 0.00 WAT1 ATOM 3984 H1 TIP3 526 5.479 -52.802 -9.847 0.00 0.00 WAT1 ATOM 3985 H2 TIP3 526 4.690 -52.569 -11.118 0.00 0.00 WAT1 ATOM 3986 OH2 TIP3 527 6.676 -57.482 -11.421 0.00 0.00 WAT1 ATOM 3987 H1 TIP3 527 6.348 -57.211 -12.279 0.00 0.00 WAT1 ATOM 3988 H2 TIP3 527 6.828 -58.423 -11.509 0.00 0.00 WAT1 ATOM 3989 OH2 TIP3 528 12.411 -57.566 -14.038 0.00 0.00 WAT1 ATOM 3990 H1 TIP3 528 13.156 -56.978 -14.158 0.00 0.00 WAT1 ATOM 3991 H2 TIP3 528 11.654 -56.984 -13.975 0.00 0.00 WAT1 ATOM 3992 OH2 TIP3 529 9.820 -58.772 -10.782 0.00 0.00 WAT1 ATOM 3993 H1 TIP3 529 10.773 -58.688 -10.810 0.00 0.00 WAT1 ATOM 3994 H2 TIP3 529 9.660 -59.483 -10.163 0.00 0.00 WAT1 ATOM 3995 OH2 TIP3 530 12.866 -59.475 -12.139 0.00 0.00 WAT1 ATOM 3996 H1 TIP3 530 12.585 -58.766 -12.717 0.00 0.00 WAT1 ATOM 3997 H2 TIP3 530 13.809 -59.548 -12.290 0.00 0.00 WAT1 ATOM 3998 OH2 TIP3 531 -1.303 -50.173 -22.592 0.00 0.00 WAT1 ATOM 3999 H1 TIP3 531 -1.950 -50.635 -23.125 0.00 0.00 WAT1 ATOM 4000 H2 TIP3 531 -0.948 -50.845 -22.009 0.00 0.00 WAT1 ATOM 4001 OH2 TIP3 532 -0.433 -52.092 -20.787 0.00 0.00 WAT1 ATOM 4002 H1 TIP3 532 -0.767 -52.973 -20.615 0.00 0.00 WAT1 ATOM 4003 H2 TIP3 532 -0.211 -51.747 -19.923 0.00 0.00 WAT1 ATOM 4004 OH2 TIP3 533 17.116 -51.283 -17.807 0.00 0.00 WAT1 ATOM 4005 H1 TIP3 533 17.094 -51.098 -16.868 0.00 0.00 WAT1 ATOM 4006 H2 TIP3 533 17.806 -50.714 -18.148 0.00 0.00 WAT1 ATOM 4007 OH2 TIP3 534 16.679 -51.716 -14.885 0.00 0.00 WAT1 ATOM 4008 H1 TIP3 534 16.192 -52.451 -15.256 0.00 0.00 WAT1 ATOM 4009 H2 TIP3 534 17.228 -52.109 -14.207 0.00 0.00 WAT1 ATOM 4010 OH2 TIP3 535 15.130 -55.926 -10.247 0.00 0.00 WAT1 ATOM 4011 H1 TIP3 535 14.264 -56.031 -9.853 0.00 0.00 WAT1 ATOM 4012 H2 TIP3 535 15.506 -55.167 -9.800 0.00 0.00 WAT1 ATOM 4013 OH2 TIP3 536 15.071 -53.953 -15.654 0.00 0.00 WAT1 ATOM 4014 H1 TIP3 536 14.423 -53.628 -15.029 0.00 0.00 WAT1 ATOM 4015 H2 TIP3 536 14.553 -54.393 -16.329 0.00 0.00 WAT1 ATOM 4016 OH2 TIP3 537 1.239 -54.264 -11.692 0.00 0.00 WAT1 ATOM 4017 H1 TIP3 537 0.418 -54.089 -12.152 0.00 0.00 WAT1 ATOM 4018 H2 TIP3 537 0.987 -54.337 -10.771 0.00 0.00 WAT1 ATOM 4019 OH2 TIP3 538 4.193 -53.289 -15.433 0.00 0.00 WAT1 ATOM 4020 H1 TIP3 538 3.768 -52.480 -15.716 0.00 0.00 WAT1 ATOM 4021 H2 TIP3 538 5.098 -53.204 -15.735 0.00 0.00 WAT1 ATOM 4022 OH2 TIP3 539 1.595 -50.033 -15.386 0.00 0.00 WAT1 ATOM 4023 H1 TIP3 539 0.875 -49.593 -15.837 0.00 0.00 WAT1 ATOM 4024 H2 TIP3 539 1.229 -50.284 -14.537 0.00 0.00 WAT1 ATOM 4025 OH2 TIP3 540 4.062 -50.433 -16.356 0.00 0.00 WAT1 ATOM 4026 H1 TIP3 540 3.197 -50.361 -15.952 0.00 0.00 WAT1 ATOM 4027 H2 TIP3 540 4.007 -49.886 -17.140 0.00 0.00 WAT1 ATOM 4028 OH2 TIP3 541 8.773 -50.545 -17.180 0.00 0.00 WAT1 ATOM 4029 H1 TIP3 541 8.316 -50.016 -17.834 0.00 0.00 WAT1 ATOM 4030 H2 TIP3 541 8.936 -49.942 -16.455 0.00 0.00 WAT1 ATOM 4031 OH2 TIP3 542 11.100 -51.667 -16.235 0.00 0.00 WAT1 ATOM 4032 H1 TIP3 542 10.196 -51.502 -16.501 0.00 0.00 WAT1 ATOM 4033 H2 TIP3 542 11.529 -50.814 -16.301 0.00 0.00 WAT1 ATOM 4034 OH2 TIP3 543 13.705 -50.097 -15.940 0.00 0.00 WAT1 ATOM 4035 H1 TIP3 543 13.523 -49.181 -16.151 0.00 0.00 WAT1 ATOM 4036 H2 TIP3 543 13.881 -50.507 -16.787 0.00 0.00 WAT1 ATOM 4037 OH2 TIP3 544 1.010 -51.410 -18.475 0.00 0.00 WAT1 ATOM 4038 H1 TIP3 544 0.991 -51.835 -17.618 0.00 0.00 WAT1 ATOM 4039 H2 TIP3 544 1.815 -51.728 -18.884 0.00 0.00 WAT1 ATOM 4040 OH2 TIP3 545 15.052 -52.662 -12.077 0.00 0.00 WAT1 ATOM 4041 H1 TIP3 545 14.270 -52.848 -12.597 0.00 0.00 WAT1 ATOM 4042 H2 TIP3 545 14.980 -51.733 -11.860 0.00 0.00 WAT1 ATOM 4043 OH2 TIP3 546 10.602 -58.776 -3.191 0.00 0.00 WAT1 ATOM 4044 H1 TIP3 546 10.691 -57.832 -3.323 0.00 0.00 WAT1 ATOM 4045 H2 TIP3 546 9.963 -59.051 -3.849 0.00 0.00 WAT1 ATOM 4046 OH2 TIP3 547 9.535 -59.521 0.228 0.00 0.00 WAT1 ATOM 4047 H1 TIP3 547 9.497 -60.167 0.933 0.00 0.00 WAT1 ATOM 4048 H2 TIP3 547 9.212 -59.987 -0.543 0.00 0.00 WAT1 ATOM 4049 OH2 TIP3 548 1.903 -59.906 1.821 0.00 0.00 WAT1 ATOM 4050 H1 TIP3 548 1.945 -60.532 2.545 0.00 0.00 WAT1 ATOM 4051 H2 TIP3 548 2.606 -59.283 2.003 0.00 0.00 WAT1 ATOM 4052 OH2 TIP3 549 0.147 -59.634 -2.125 0.00 0.00 WAT1 ATOM 4053 H1 TIP3 549 0.361 -60.404 -1.598 0.00 0.00 WAT1 ATOM 4054 H2 TIP3 549 0.885 -59.545 -2.728 0.00 0.00 WAT1 ATOM 4055 OH2 TIP3 550 11.065 -62.694 0.962 0.00 0.00 WAT1 ATOM 4056 H1 TIP3 550 11.208 -63.641 0.982 0.00 0.00 WAT1 ATOM 4057 H2 TIP3 550 10.959 -62.487 0.033 0.00 0.00 WAT1 ATOM 4058 OH2 TIP3 551 0.840 -62.196 -1.004 0.00 0.00 WAT1 ATOM 4059 H1 TIP3 551 1.494 -62.746 -0.572 0.00 0.00 WAT1 ATOM 4060 H2 TIP3 551 0.864 -62.470 -1.920 0.00 0.00 WAT1 ATOM 4061 OH2 TIP3 552 5.996 -60.646 -1.788 0.00 0.00 WAT1 ATOM 4062 H1 TIP3 552 6.612 -61.172 -1.279 0.00 0.00 WAT1 ATOM 4063 H2 TIP3 552 5.410 -61.286 -2.192 0.00 0.00 WAT1 ATOM 4064 OH2 TIP3 553 16.979 -64.009 3.731 0.00 0.00 WAT1 ATOM 4065 H1 TIP3 553 16.290 -63.351 3.636 0.00 0.00 WAT1 ATOM 4066 H2 TIP3 553 16.994 -64.206 4.668 0.00 0.00 WAT1 ATOM 4067 OH2 TIP3 554 2.624 -63.783 0.261 0.00 0.00 WAT1 ATOM 4068 H1 TIP3 554 3.237 -63.150 0.634 0.00 0.00 WAT1 ATOM 4069 H2 TIP3 554 3.136 -64.255 -0.396 0.00 0.00 WAT1 ATOM 4070 OH2 TIP3 555 0.128 -56.364 -5.835 0.00 0.00 WAT1 ATOM 4071 H1 TIP3 555 -0.144 -56.135 -6.724 0.00 0.00 WAT1 ATOM 4072 H2 TIP3 555 0.173 -55.526 -5.375 0.00 0.00 WAT1 ATOM 4073 OH2 TIP3 556 9.323 -59.532 -5.739 0.00 0.00 WAT1 ATOM 4074 H1 TIP3 556 8.611 -58.997 -6.090 0.00 0.00 WAT1 ATOM 4075 H2 TIP3 556 10.014 -59.476 -6.399 0.00 0.00 WAT1 ATOM 4076 OH2 TIP3 557 16.692 -60.154 2.555 0.00 0.00 WAT1 ATOM 4077 H1 TIP3 557 16.040 -59.459 2.644 0.00 0.00 WAT1 ATOM 4078 H2 TIP3 557 17.157 -59.944 1.745 0.00 0.00 WAT1 ATOM 4079 OH2 TIP3 558 12.729 -59.322 -4.787 0.00 0.00 WAT1 ATOM 4080 H1 TIP3 558 11.997 -59.094 -4.214 0.00 0.00 WAT1 ATOM 4081 H2 TIP3 558 13.176 -60.036 -4.332 0.00 0.00 WAT1 ATOM 4082 OH2 TIP3 559 11.600 -60.160 -7.102 0.00 0.00 WAT1 ATOM 4083 H1 TIP3 559 12.179 -60.010 -6.355 0.00 0.00 WAT1 ATOM 4084 H2 TIP3 559 12.014 -59.689 -7.825 0.00 0.00 WAT1 ATOM 4085 OH2 TIP3 560 2.541 -59.326 4.675 0.00 0.00 WAT1 ATOM 4086 H1 TIP3 560 2.611 -58.675 5.373 0.00 0.00 WAT1 ATOM 4087 H2 TIP3 560 1.650 -59.223 4.340 0.00 0.00 WAT1 ATOM 4088 OH2 TIP3 561 3.364 -59.622 -5.315 0.00 0.00 WAT1 ATOM 4089 H1 TIP3 561 3.072 -58.854 -5.806 0.00 0.00 WAT1 ATOM 4090 H2 TIP3 561 2.690 -60.282 -5.478 0.00 0.00 WAT1 ATOM 4091 OH2 TIP3 562 16.488 -54.044 -8.912 0.00 0.00 WAT1 ATOM 4092 H1 TIP3 562 16.561 -53.105 -8.742 0.00 0.00 WAT1 ATOM 4093 H2 TIP3 562 17.393 -54.349 -8.969 0.00 0.00 WAT1 ATOM 4094 OH2 TIP3 563 14.557 -62.320 6.546 0.00 0.00 WAT1 ATOM 4095 H1 TIP3 563 14.150 -61.839 5.826 0.00 0.00 WAT1 ATOM 4096 H2 TIP3 563 14.598 -63.225 6.239 0.00 0.00 WAT1 ATOM 4097 OH2 TIP3 564 12.314 -63.988 4.767 0.00 0.00 WAT1 ATOM 4098 H1 TIP3 564 11.800 -64.114 5.564 0.00 0.00 WAT1 ATOM 4099 H2 TIP3 564 12.159 -63.076 4.522 0.00 0.00 WAT1 ATOM 4100 OH2 TIP3 565 13.077 -59.127 -9.472 0.00 0.00 WAT1 ATOM 4101 H1 TIP3 565 13.119 -59.350 -10.402 0.00 0.00 WAT1 ATOM 4102 H2 TIP3 565 13.926 -58.729 -9.282 0.00 0.00 WAT1 ATOM 4103 OH2 TIP3 566 4.416 -62.500 1.634 0.00 0.00 WAT1 ATOM 4104 H1 TIP3 566 3.774 -62.541 2.343 0.00 0.00 WAT1 ATOM 4105 H2 TIP3 566 4.453 -61.574 1.396 0.00 0.00 WAT1 ATOM 4106 OH2 TIP3 567 4.413 -62.279 -3.454 0.00 0.00 WAT1 ATOM 4107 H1 TIP3 567 3.520 -62.620 -3.513 0.00 0.00 WAT1 ATOM 4108 H2 TIP3 567 4.864 -62.656 -4.210 0.00 0.00 WAT1 ATOM 4109 OH2 TIP3 568 9.949 -61.863 -4.637 0.00 0.00 WAT1 ATOM 4110 H1 TIP3 568 9.540 -61.048 -4.929 0.00 0.00 WAT1 ATOM 4111 H2 TIP3 568 10.669 -62.003 -5.252 0.00 0.00 WAT1 ATOM 4112 OH2 TIP3 569 9.051 -61.688 6.851 0.00 0.00 WAT1 ATOM 4113 H1 TIP3 569 8.488 -62.392 7.171 0.00 0.00 WAT1 ATOM 4114 H2 TIP3 569 9.877 -61.808 7.318 0.00 0.00 WAT1 ATOM 4115 OH2 TIP3 570 10.953 -62.417 -1.823 0.00 0.00 WAT1 ATOM 4116 H1 TIP3 570 10.758 -61.812 -2.538 0.00 0.00 WAT1 ATOM 4117 H2 TIP3 570 11.135 -63.251 -2.258 0.00 0.00 WAT1 ATOM 4118 OH2 TIP3 571 2.166 -62.180 3.501 0.00 0.00 WAT1 ATOM 4119 H1 TIP3 571 2.128 -61.780 4.369 0.00 0.00 WAT1 ATOM 4120 H2 TIP3 571 1.675 -62.997 3.591 0.00 0.00 WAT1 ATOM 4121 OH2 TIP3 572 11.400 -65.617 0.896 0.00 0.00 WAT1 ATOM 4122 H1 TIP3 572 10.723 -65.486 1.560 0.00 0.00 WAT1 ATOM 4123 H2 TIP3 572 10.914 -65.772 0.086 0.00 0.00 WAT1 ATOM 4124 OH2 TIP3 573 8.315 -62.064 -0.481 0.00 0.00 WAT1 ATOM 4125 H1 TIP3 573 8.879 -62.611 -1.028 0.00 0.00 WAT1 ATOM 4126 H2 TIP3 573 8.167 -62.586 0.308 0.00 0.00 WAT1 ATOM 4127 OH2 TIP3 574 6.941 -63.676 1.933 0.00 0.00 WAT1 ATOM 4128 H1 TIP3 574 6.106 -63.222 2.043 0.00 0.00 WAT1 ATOM 4129 H2 TIP3 574 7.465 -63.400 2.685 0.00 0.00 WAT1 ATOM 4130 OH2 TIP3 575 7.485 -57.463 -6.382 0.00 0.00 WAT1 ATOM 4131 H1 TIP3 575 6.741 -57.970 -6.705 0.00 0.00 WAT1 ATOM 4132 H2 TIP3 575 7.351 -57.414 -5.436 0.00 0.00 WAT1 ATOM 4133 OH2 TIP3 576 9.611 -56.004 -7.357 0.00 0.00 WAT1 ATOM 4134 H1 TIP3 576 9.316 -55.178 -6.975 0.00 0.00 WAT1 ATOM 4135 H2 TIP3 576 8.908 -56.624 -7.161 0.00 0.00 WAT1 ATOM 4136 OH2 TIP3 577 6.635 -60.190 6.915 0.00 0.00 WAT1 ATOM 4137 H1 TIP3 577 6.339 -60.356 6.020 0.00 0.00 WAT1 ATOM 4138 H2 TIP3 577 7.566 -60.410 6.905 0.00 0.00 WAT1 ATOM 4139 OH2 TIP3 578 12.674 -55.810 -8.542 0.00 0.00 WAT1 ATOM 4140 H1 TIP3 578 13.027 -56.190 -7.738 0.00 0.00 WAT1 ATOM 4141 H2 TIP3 578 11.725 -55.903 -8.456 0.00 0.00 WAT1 ATOM 4142 OH2 TIP3 579 17.178 -51.330 -8.341 0.00 0.00 WAT1 ATOM 4143 H1 TIP3 579 17.921 -50.744 -8.481 0.00 0.00 WAT1 ATOM 4144 H2 TIP3 579 16.483 -50.762 -8.008 0.00 0.00 WAT1 ATOM 4145 OH2 TIP3 580 5.702 -55.128 -7.639 0.00 0.00 WAT1 ATOM 4146 H1 TIP3 580 5.849 -55.648 -6.849 0.00 0.00 WAT1 ATOM 4147 H2 TIP3 580 5.699 -54.221 -7.333 0.00 0.00 WAT1 ATOM 4148 OH2 TIP3 581 2.155 -57.875 -7.129 0.00 0.00 WAT1 ATOM 4149 H1 TIP3 581 1.469 -57.523 -6.562 0.00 0.00 WAT1 ATOM 4150 H2 TIP3 581 2.678 -57.112 -7.375 0.00 0.00 WAT1 ATOM 4151 OH2 TIP3 582 9.987 -65.213 3.150 0.00 0.00 WAT1 ATOM 4152 H1 TIP3 582 10.685 -65.139 3.800 0.00 0.00 WAT1 ATOM 4153 H2 TIP3 582 9.606 -66.077 3.305 0.00 0.00 WAT1 ATOM 4154 OH2 TIP3 583 8.507 -62.847 4.267 0.00 0.00 WAT1 ATOM 4155 H1 TIP3 583 8.626 -62.273 5.024 0.00 0.00 WAT1 ATOM 4156 H2 TIP3 583 9.162 -63.535 4.382 0.00 0.00 WAT1 ATOM 4157 OH2 TIP3 584 14.711 -64.940 5.102 0.00 0.00 WAT1 ATOM 4158 H1 TIP3 584 13.795 -64.677 5.014 0.00 0.00 WAT1 ATOM 4159 H2 TIP3 584 15.047 -64.943 4.205 0.00 0.00 WAT1 ATOM 4160 OH2 TIP3 585 13.313 -61.189 -0.802 0.00 0.00 WAT1 ATOM 4161 H1 TIP3 585 12.516 -61.604 -1.131 0.00 0.00 WAT1 ATOM 4162 H2 TIP3 585 13.758 -61.880 -0.311 0.00 0.00 WAT1 ATOM 4163 OH2 TIP3 586 2.771 -55.261 -8.232 0.00 0.00 WAT1 ATOM 4164 H1 TIP3 586 3.363 -54.562 -7.956 0.00 0.00 WAT1 ATOM 4165 H2 TIP3 586 3.230 -55.694 -8.951 0.00 0.00 WAT1 ATOM 4166 OH2 TIP3 587 0.825 -53.875 -4.282 0.00 0.00 WAT1 ATOM 4167 H1 TIP3 587 -0.007 -53.402 -4.255 0.00 0.00 WAT1 ATOM 4168 H2 TIP3 587 1.371 -53.365 -4.881 0.00 0.00 WAT1 ATOM 4169 OH2 TIP3 588 11.288 -53.963 7.397 0.00 0.00 WAT1 ATOM 4170 H1 TIP3 588 10.937 -54.819 7.640 0.00 0.00 WAT1 ATOM 4171 H2 TIP3 588 12.014 -53.820 8.004 0.00 0.00 WAT1 ATOM 4172 OH2 TIP3 589 4.362 -57.108 -9.866 0.00 0.00 WAT1 ATOM 4173 H1 TIP3 589 4.426 -57.902 -9.335 0.00 0.00 WAT1 ATOM 4174 H2 TIP3 589 5.015 -57.227 -10.555 0.00 0.00 WAT1 ATOM 4175 OH2 TIP3 590 0.853 -60.252 7.422 0.00 0.00 WAT1 ATOM 4176 H1 TIP3 590 1.261 -61.109 7.301 0.00 0.00 WAT1 ATOM 4177 H2 TIP3 590 0.593 -60.237 8.343 0.00 0.00 WAT1 ATOM 4178 OH2 TIP3 591 5.511 -59.136 -7.560 0.00 0.00 WAT1 ATOM 4179 H1 TIP3 591 5.052 -59.620 -6.874 0.00 0.00 WAT1 ATOM 4180 H2 TIP3 591 5.766 -59.804 -8.196 0.00 0.00 WAT1 ATOM 4181 OH2 TIP3 592 4.800 -61.243 4.796 0.00 0.00 WAT1 ATOM 4182 H1 TIP3 592 4.182 -60.568 5.077 0.00 0.00 WAT1 ATOM 4183 H2 TIP3 592 5.144 -60.922 3.963 0.00 0.00 WAT1 ATOM 4184 OH2 TIP3 593 9.820 -58.772 8.074 0.00 0.00 WAT1 ATOM 4185 H1 TIP3 593 10.773 -58.688 8.046 0.00 0.00 WAT1 ATOM 4186 H2 TIP3 593 9.660 -59.483 8.693 0.00 0.00 WAT1 ATOM 4187 OH2 TIP3 594 15.972 -58.538 -9.852 0.00 0.00 WAT1 ATOM 4188 H1 TIP3 594 15.699 -58.963 -10.665 0.00 0.00 WAT1 ATOM 4189 H2 TIP3 594 16.012 -57.607 -10.069 0.00 0.00 WAT1 ATOM 4190 OH2 TIP3 595 11.550 -62.264 8.639 0.00 0.00 WAT1 ATOM 4191 H1 TIP3 595 11.742 -63.195 8.528 0.00 0.00 WAT1 ATOM 4192 H2 TIP3 595 12.407 -61.839 8.629 0.00 0.00 WAT1 ATOM 4193 OH2 TIP3 596 7.622 -63.740 7.366 0.00 0.00 WAT1 ATOM 4194 H1 TIP3 596 7.386 -63.960 8.268 0.00 0.00 WAT1 ATOM 4195 H2 TIP3 596 6.839 -63.947 6.857 0.00 0.00 WAT1 ATOM 4196 OH2 TIP3 597 10.338 -64.613 6.442 0.00 0.00 WAT1 ATOM 4197 H1 TIP3 597 9.390 -64.581 6.574 0.00 0.00 WAT1 ATOM 4198 H2 TIP3 597 10.650 -65.238 7.096 0.00 0.00 WAT1 ATOM 4199 OH2 TIP3 598 -1.303 -50.173 -3.736 0.00 0.00 WAT1 ATOM 4200 H1 TIP3 598 -1.950 -50.635 -4.269 0.00 0.00 WAT1 ATOM 4201 H2 TIP3 598 -0.948 -50.845 -3.153 0.00 0.00 WAT1 ATOM 4202 OH2 TIP3 599 16.431 -57.669 -5.877 0.00 0.00 WAT1 ATOM 4203 H1 TIP3 599 17.281 -57.248 -5.749 0.00 0.00 WAT1 ATOM 4204 H2 TIP3 599 16.436 -58.409 -5.269 0.00 0.00 WAT1 ATOM 4205 OH2 TIP3 600 16.825 -59.616 -4.053 0.00 0.00 WAT1 ATOM 4206 H1 TIP3 600 16.099 -60.095 -3.655 0.00 0.00 WAT1 ATOM 4207 H2 TIP3 600 17.406 -59.410 -3.321 0.00 0.00 WAT1 ATOM 4208 OH2 TIP3 601 17.093 -59.715 -7.662 0.00 0.00 WAT1 ATOM 4209 H1 TIP3 601 16.572 -59.358 -8.381 0.00 0.00 WAT1 ATOM 4210 H2 TIP3 601 17.060 -59.040 -6.984 0.00 0.00 WAT1 ATOM 4211 OH2 TIP3 602 14.612 -61.095 -3.490 0.00 0.00 WAT1 ATOM 4212 H1 TIP3 602 14.462 -62.040 -3.510 0.00 0.00 WAT1 ATOM 4213 H2 TIP3 602 14.258 -60.814 -2.646 0.00 0.00 WAT1 ATOM 4214 OH2 TIP3 603 -0.353 -59.017 0.520 0.00 0.00 WAT1 ATOM 4215 H1 TIP3 603 -0.169 -59.099 -0.415 0.00 0.00 WAT1 ATOM 4216 H2 TIP3 603 0.496 -59.141 0.944 0.00 0.00 WAT1 ATOM 4217 OH2 TIP3 604 15.468 -59.125 6.149 0.00 0.00 WAT1 ATOM 4218 H1 TIP3 604 16.051 -59.859 6.340 0.00 0.00 WAT1 ATOM 4219 H2 TIP3 604 16.032 -58.353 6.195 0.00 0.00 WAT1 ATOM 4220 OH2 TIP3 605 16.965 -61.222 6.833 0.00 0.00 WAT1 ATOM 4221 H1 TIP3 605 16.102 -61.601 6.668 0.00 0.00 WAT1 ATOM 4222 H2 TIP3 605 17.569 -61.961 6.759 0.00 0.00 WAT1 ATOM 4223 OH2 TIP3 606 14.934 -62.931 0.408 0.00 0.00 WAT1 ATOM 4224 H1 TIP3 606 15.867 -62.719 0.374 0.00 0.00 WAT1 ATOM 4225 H2 TIP3 606 14.699 -62.829 1.331 0.00 0.00 WAT1 ATOM 4226 OH2 TIP3 607 14.963 -62.194 3.184 0.00 0.00 WAT1 ATOM 4227 H1 TIP3 607 14.120 -61.926 3.550 0.00 0.00 WAT1 ATOM 4228 H2 TIP3 607 15.406 -61.372 2.973 0.00 0.00 WAT1 ATOM 4229 OH2 TIP3 608 -0.755 -63.746 6.661 0.00 0.00 WAT1 ATOM 4230 H1 TIP3 608 0.164 -63.868 6.897 0.00 0.00 WAT1 ATOM 4231 H2 TIP3 608 -1.205 -64.496 7.050 0.00 0.00 WAT1 ATOM 4232 OH2 TIP3 609 -1.230 -62.435 0.621 0.00 0.00 WAT1 ATOM 4233 H1 TIP3 609 -0.738 -62.656 -0.169 0.00 0.00 WAT1 ATOM 4234 H2 TIP3 609 -0.868 -61.594 0.902 0.00 0.00 WAT1 ATOM 4235 OH2 TIP3 610 0.261 -52.186 -6.448 0.00 0.00 WAT1 ATOM 4236 H1 TIP3 610 -0.424 -52.224 -7.116 0.00 0.00 WAT1 ATOM 4237 H2 TIP3 610 0.264 -51.273 -6.160 0.00 0.00 WAT1 ATOM 4238 OH2 TIP3 611 2.079 -51.266 -9.423 0.00 0.00 WAT1 ATOM 4239 H1 TIP3 611 1.811 -50.979 -8.550 0.00 0.00 WAT1 ATOM 4240 H2 TIP3 611 2.850 -51.812 -9.271 0.00 0.00 WAT1 ATOM 4241 OH2 TIP3 612 10.602 -58.776 15.665 0.00 0.00 WAT1 ATOM 4242 H1 TIP3 612 10.691 -57.832 15.533 0.00 0.00 WAT1 ATOM 4243 H2 TIP3 612 9.963 -59.051 15.007 0.00 0.00 WAT1 ATOM 4244 OH2 TIP3 613 2.827 -55.456 19.212 0.00 0.00 WAT1 ATOM 4245 H1 TIP3 613 2.457 -56.258 18.843 0.00 0.00 WAT1 ATOM 4246 H2 TIP3 613 3.768 -55.625 19.259 0.00 0.00 WAT1 ATOM 4247 OH2 TIP3 614 0.147 -59.634 16.731 0.00 0.00 WAT1 ATOM 4248 H1 TIP3 614 0.361 -60.404 17.258 0.00 0.00 WAT1 ATOM 4249 H2 TIP3 614 0.885 -59.545 16.128 0.00 0.00 WAT1 ATOM 4250 OH2 TIP3 615 7.924 -57.088 19.490 0.00 0.00 WAT1 ATOM 4251 H1 TIP3 615 8.228 -57.774 18.896 0.00 0.00 WAT1 ATOM 4252 H2 TIP3 615 8.646 -56.970 20.108 0.00 0.00 WAT1 ATOM 4253 OH2 TIP3 616 5.996 -60.646 17.068 0.00 0.00 WAT1 ATOM 4254 H1 TIP3 616 6.612 -61.172 17.577 0.00 0.00 WAT1 ATOM 4255 H2 TIP3 616 5.410 -61.286 16.664 0.00 0.00 WAT1 ATOM 4256 OH2 TIP3 617 10.399 -56.175 14.708 0.00 0.00 WAT1 ATOM 4257 H1 TIP3 617 10.103 -56.497 13.857 0.00 0.00 WAT1 ATOM 4258 H2 TIP3 617 10.075 -55.275 14.750 0.00 0.00 WAT1 ATOM 4259 OH2 TIP3 618 4.007 -56.035 22.239 0.00 0.00 WAT1 ATOM 4260 H1 TIP3 618 4.001 -55.156 21.861 0.00 0.00 WAT1 ATOM 4261 H2 TIP3 618 3.153 -56.118 22.664 0.00 0.00 WAT1 ATOM 4262 OH2 TIP3 619 0.128 -56.364 13.021 0.00 0.00 WAT1 ATOM 4263 H1 TIP3 619 -0.144 -56.135 12.132 0.00 0.00 WAT1 ATOM 4264 H2 TIP3 619 0.173 -55.526 13.481 0.00 0.00 WAT1 ATOM 4265 OH2 TIP3 620 13.753 -54.742 19.734 0.00 0.00 WAT1 ATOM 4266 H1 TIP3 620 12.811 -54.684 19.895 0.00 0.00 WAT1 ATOM 4267 H2 TIP3 620 14.029 -53.836 19.597 0.00 0.00 WAT1 ATOM 4268 OH2 TIP3 621 12.005 -52.961 16.359 0.00 0.00 WAT1 ATOM 4269 H1 TIP3 621 12.430 -53.668 15.874 0.00 0.00 WAT1 ATOM 4270 H2 TIP3 621 12.322 -52.160 15.942 0.00 0.00 WAT1 ATOM 4271 OH2 TIP3 622 13.164 -55.060 14.868 0.00 0.00 WAT1 ATOM 4272 H1 TIP3 622 12.907 -55.750 14.256 0.00 0.00 WAT1 ATOM 4273 H2 TIP3 622 13.235 -55.503 15.713 0.00 0.00 WAT1 ATOM 4274 OH2 TIP3 623 9.323 -59.532 13.117 0.00 0.00 WAT1 ATOM 4275 H1 TIP3 623 8.611 -58.997 12.766 0.00 0.00 WAT1 ATOM 4276 H2 TIP3 623 10.014 -59.476 12.457 0.00 0.00 WAT1 ATOM 4277 OH2 TIP3 624 9.377 -61.074 10.156 0.00 0.00 WAT1 ATOM 4278 H1 TIP3 624 10.078 -61.052 10.807 0.00 0.00 WAT1 ATOM 4279 H2 TIP3 624 9.679 -61.702 9.500 0.00 0.00 WAT1 ATOM 4280 OH2 TIP3 625 4.374 -58.692 15.952 0.00 0.00 WAT1 ATOM 4281 H1 TIP3 625 4.044 -59.062 15.133 0.00 0.00 WAT1 ATOM 4282 H2 TIP3 625 4.962 -59.362 16.298 0.00 0.00 WAT1 ATOM 4283 OH2 TIP3 626 5.741 -55.264 18.633 0.00 0.00 WAT1 ATOM 4284 H1 TIP3 626 5.646 -55.842 17.876 0.00 0.00 WAT1 ATOM 4285 H2 TIP3 626 6.470 -55.635 19.129 0.00 0.00 WAT1 ATOM 4286 OH2 TIP3 627 11.050 -54.420 20.319 0.00 0.00 WAT1 ATOM 4287 H1 TIP3 627 10.809 -53.758 20.967 0.00 0.00 WAT1 ATOM 4288 H2 TIP3 627 10.852 -55.254 20.744 0.00 0.00 WAT1 ATOM 4289 OH2 TIP3 628 3.860 -53.452 25.066 0.00 0.00 WAT1 ATOM 4290 H1 TIP3 628 3.868 -53.588 24.118 0.00 0.00 WAT1 ATOM 4291 H2 TIP3 628 2.944 -53.570 25.318 0.00 0.00 WAT1 ATOM 4292 OH2 TIP3 629 3.364 -59.622 13.541 0.00 0.00 WAT1 ATOM 4293 H1 TIP3 629 3.072 -58.854 13.050 0.00 0.00 WAT1 ATOM 4294 H2 TIP3 629 2.690 -60.282 13.378 0.00 0.00 WAT1 ATOM 4295 OH2 TIP3 630 -0.543 -57.259 22.356 0.00 0.00 WAT1 ATOM 4296 H1 TIP3 630 -1.044 -57.287 21.541 0.00 0.00 WAT1 ATOM 4297 H2 TIP3 630 -0.537 -58.165 22.666 0.00 0.00 WAT1 ATOM 4298 OH2 TIP3 631 8.384 -54.239 23.798 0.00 0.00 WAT1 ATOM 4299 H1 TIP3 631 8.471 -53.413 24.273 0.00 0.00 WAT1 ATOM 4300 H2 TIP3 631 7.520 -54.569 24.047 0.00 0.00 WAT1 ATOM 4301 OH2 TIP3 632 11.900 -51.313 10.607 0.00 0.00 WAT1 ATOM 4302 H1 TIP3 632 12.275 -52.057 10.136 0.00 0.00 WAT1 ATOM 4303 H2 TIP3 632 11.904 -51.583 11.525 0.00 0.00 WAT1 ATOM 4304 OH2 TIP3 633 11.569 -51.387 13.356 0.00 0.00 WAT1 ATOM 4305 H1 TIP3 633 10.634 -51.287 13.535 0.00 0.00 WAT1 ATOM 4306 H2 TIP3 633 11.849 -52.096 13.934 0.00 0.00 WAT1 ATOM 4307 OH2 TIP3 634 1.706 -55.936 23.399 0.00 0.00 WAT1 ATOM 4308 H1 TIP3 634 1.923 -56.297 24.259 0.00 0.00 WAT1 ATOM 4309 H2 TIP3 634 0.851 -56.310 23.189 0.00 0.00 WAT1 ATOM 4310 OH2 TIP3 635 13.077 -59.127 9.384 0.00 0.00 WAT1 ATOM 4311 H1 TIP3 635 13.119 -59.350 8.454 0.00 0.00 WAT1 ATOM 4312 H2 TIP3 635 13.926 -58.729 9.574 0.00 0.00 WAT1 ATOM 4313 OH2 TIP3 636 4.150 -62.028 10.538 0.00 0.00 WAT1 ATOM 4314 H1 TIP3 636 3.608 -62.408 9.847 0.00 0.00 WAT1 ATOM 4315 H2 TIP3 636 4.984 -61.834 10.109 0.00 0.00 WAT1 ATOM 4316 OH2 TIP3 637 14.687 -49.945 26.029 0.00 0.00 WAT1 ATOM 4317 H1 TIP3 637 14.887 -49.521 25.194 0.00 0.00 WAT1 ATOM 4318 H2 TIP3 637 15.343 -49.602 26.636 0.00 0.00 WAT1 ATOM 4319 OH2 TIP3 638 2.610 -58.168 18.243 0.00 0.00 WAT1 ATOM 4320 H1 TIP3 638 3.355 -58.170 17.642 0.00 0.00 WAT1 ATOM 4321 H2 TIP3 638 2.688 -58.992 18.725 0.00 0.00 WAT1 ATOM 4322 OH2 TIP3 639 9.611 -56.004 11.499 0.00 0.00 WAT1 ATOM 4323 H1 TIP3 639 9.316 -55.178 11.881 0.00 0.00 WAT1 ATOM 4324 H2 TIP3 639 8.908 -56.624 11.695 0.00 0.00 WAT1 ATOM 4325 OH2 TIP3 640 15.282 -53.786 12.493 0.00 0.00 WAT1 ATOM 4326 H1 TIP3 640 14.909 -54.612 12.803 0.00 0.00 WAT1 ATOM 4327 H2 TIP3 640 15.559 -53.969 11.596 0.00 0.00 WAT1 ATOM 4328 OH2 TIP3 641 0.740 -59.788 10.235 0.00 0.00 WAT1 ATOM 4329 H1 TIP3 641 1.356 -59.161 10.614 0.00 0.00 WAT1 ATOM 4330 H2 TIP3 641 -0.122 -59.472 10.506 0.00 0.00 WAT1 ATOM 4331 OH2 TIP3 642 6.927 -52.838 21.539 0.00 0.00 WAT1 ATOM 4332 H1 TIP3 642 7.290 -51.983 21.306 0.00 0.00 WAT1 ATOM 4333 H2 TIP3 642 7.459 -53.130 22.280 0.00 0.00 WAT1 ATOM 4334 OH2 TIP3 643 10.471 -56.739 21.240 0.00 0.00 WAT1 ATOM 4335 H1 TIP3 643 10.045 -56.966 22.066 0.00 0.00 WAT1 ATOM 4336 H2 TIP3 643 11.052 -57.477 21.057 0.00 0.00 WAT1 ATOM 4337 OH2 TIP3 644 12.674 -55.810 10.314 0.00 0.00 WAT1 ATOM 4338 H1 TIP3 644 13.027 -56.190 11.118 0.00 0.00 WAT1 ATOM 4339 H2 TIP3 644 11.725 -55.903 10.400 0.00 0.00 WAT1 ATOM 4340 OH2 TIP3 645 13.130 -52.187 23.709 0.00 0.00 WAT1 ATOM 4341 H1 TIP3 645 12.528 -52.742 23.214 0.00 0.00 WAT1 ATOM 4342 H2 TIP3 645 13.411 -51.520 23.083 0.00 0.00 WAT1 ATOM 4343 OH2 TIP3 646 17.178 -51.330 10.515 0.00 0.00 WAT1 ATOM 4344 H1 TIP3 646 17.921 -50.744 10.375 0.00 0.00 WAT1 ATOM 4345 H2 TIP3 646 16.483 -50.762 10.848 0.00 0.00 WAT1 ATOM 4346 OH2 TIP3 647 13.540 -57.137 12.540 0.00 0.00 WAT1 ATOM 4347 H1 TIP3 647 13.263 -57.865 13.096 0.00 0.00 WAT1 ATOM 4348 H2 TIP3 647 14.467 -57.018 12.746 0.00 0.00 WAT1 ATOM 4349 OH2 TIP3 648 0.903 -53.149 21.551 0.00 0.00 WAT1 ATOM 4350 H1 TIP3 648 1.120 -54.081 21.520 0.00 0.00 WAT1 ATOM 4351 H2 TIP3 648 1.150 -52.875 22.435 0.00 0.00 WAT1 ATOM 4352 OH2 TIP3 649 2.155 -57.875 11.727 0.00 0.00 WAT1 ATOM 4353 H1 TIP3 649 1.469 -57.523 12.294 0.00 0.00 WAT1 ATOM 4354 H2 TIP3 649 2.678 -57.112 11.481 0.00 0.00 WAT1 ATOM 4355 OH2 TIP3 650 1.087 -62.597 9.740 0.00 0.00 WAT1 ATOM 4356 H1 TIP3 650 1.042 -61.658 9.919 0.00 0.00 WAT1 ATOM 4357 H2 TIP3 650 0.199 -62.833 9.470 0.00 0.00 WAT1 ATOM 4358 OH2 TIP3 651 14.400 -51.933 19.676 0.00 0.00 WAT1 ATOM 4359 H1 TIP3 651 14.244 -51.255 19.019 0.00 0.00 WAT1 ATOM 4360 H2 TIP3 651 15.332 -51.861 19.879 0.00 0.00 WAT1 ATOM 4361 OH2 TIP3 652 13.407 -53.018 9.133 0.00 0.00 WAT1 ATOM 4362 H1 TIP3 652 13.690 -53.812 9.586 0.00 0.00 WAT1 ATOM 4363 H2 TIP3 652 14.147 -52.785 8.572 0.00 0.00 WAT1 ATOM 4364 OH2 TIP3 653 4.362 -57.108 8.990 0.00 0.00 WAT1 ATOM 4365 H1 TIP3 653 4.426 -57.902 9.521 0.00 0.00 WAT1 ATOM 4366 H2 TIP3 653 5.015 -57.227 8.301 0.00 0.00 WAT1 ATOM 4367 OH2 TIP3 654 5.511 -59.136 11.296 0.00 0.00 WAT1 ATOM 4368 H1 TIP3 654 5.052 -59.620 11.982 0.00 0.00 WAT1 ATOM 4369 H2 TIP3 654 5.766 -59.804 10.660 0.00 0.00 WAT1 ATOM 4370 OH2 TIP3 655 6.582 -60.893 9.559 0.00 0.00 WAT1 ATOM 4371 H1 TIP3 655 6.402 -61.047 8.631 0.00 0.00 WAT1 ATOM 4372 H2 TIP3 655 7.533 -60.785 9.603 0.00 0.00 WAT1 ATOM 4373 OH2 TIP3 656 15.972 -58.538 9.004 0.00 0.00 WAT1 ATOM 4374 H1 TIP3 656 15.699 -58.963 8.191 0.00 0.00 WAT1 ATOM 4375 H2 TIP3 656 16.012 -57.607 8.787 0.00 0.00 WAT1 ATOM 4376 OH2 TIP3 657 17.116 -51.283 19.905 0.00 0.00 WAT1 ATOM 4377 H1 TIP3 657 17.094 -51.098 20.844 0.00 0.00 WAT1 ATOM 4378 H2 TIP3 657 17.806 -50.714 19.564 0.00 0.00 WAT1 ATOM 4379 OH2 TIP3 658 16.679 -51.716 22.827 0.00 0.00 WAT1 ATOM 4380 H1 TIP3 658 16.192 -52.451 22.456 0.00 0.00 WAT1 ATOM 4381 H2 TIP3 658 17.228 -52.109 23.505 0.00 0.00 WAT1 ATOM 4382 OH2 TIP3 659 16.431 -57.669 12.979 0.00 0.00 WAT1 ATOM 4383 H1 TIP3 659 17.281 -57.248 13.107 0.00 0.00 WAT1 ATOM 4384 H2 TIP3 659 16.436 -58.409 13.587 0.00 0.00 WAT1 ATOM 4385 OH2 TIP3 660 17.093 -59.715 11.194 0.00 0.00 WAT1 ATOM 4386 H1 TIP3 660 16.572 -59.358 10.475 0.00 0.00 WAT1 ATOM 4387 H2 TIP3 660 17.060 -59.040 11.872 0.00 0.00 WAT1 ATOM 4388 OH2 TIP3 661 -0.353 -59.017 19.376 0.00 0.00 WAT1 ATOM 4389 H1 TIP3 661 -0.169 -59.099 18.441 0.00 0.00 WAT1 ATOM 4390 H2 TIP3 661 0.496 -59.141 19.800 0.00 0.00 WAT1 ATOM 4391 OH2 TIP3 662 13.854 -51.193 15.477 0.00 0.00 WAT1 ATOM 4392 H1 TIP3 662 14.507 -51.540 14.869 0.00 0.00 WAT1 ATOM 4393 H2 TIP3 662 14.365 -50.704 16.123 0.00 0.00 WAT1 ATOM 4394 OH2 TIP3 663 4.193 -53.289 22.279 0.00 0.00 WAT1 ATOM 4395 H1 TIP3 663 3.768 -52.480 21.996 0.00 0.00 WAT1 ATOM 4396 H2 TIP3 663 5.098 -53.204 21.977 0.00 0.00 WAT1 ATOM 4397 OH2 TIP3 664 8.504 -51.890 25.238 0.00 0.00 WAT1 ATOM 4398 H1 TIP3 664 8.689 -52.224 26.116 0.00 0.00 WAT1 ATOM 4399 H2 TIP3 664 9.351 -51.581 24.916 0.00 0.00 WAT1 ATOM 4400 OH2 TIP3 665 10.849 -50.605 24.482 0.00 0.00 WAT1 ATOM 4401 H1 TIP3 665 11.526 -51.237 24.242 0.00 0.00 WAT1 ATOM 4402 H2 TIP3 665 11.171 -50.203 25.290 0.00 0.00 WAT1 ATOM 4403 OH2 TIP3 666 1.595 -50.033 22.326 0.00 0.00 WAT1 ATOM 4404 H1 TIP3 666 0.875 -49.593 21.875 0.00 0.00 WAT1 ATOM 4405 H2 TIP3 666 1.229 -50.284 23.175 0.00 0.00 WAT1 ATOM 4406 OH2 TIP3 667 11.100 -51.667 21.477 0.00 0.00 WAT1 ATOM 4407 H1 TIP3 667 10.196 -51.502 21.211 0.00 0.00 WAT1 ATOM 4408 H2 TIP3 667 11.529 -50.814 21.411 0.00 0.00 WAT1 ATOM 4409 OH2 TIP3 668 13.705 -50.097 21.772 0.00 0.00 WAT1 ATOM 4410 H1 TIP3 668 13.523 -49.181 21.561 0.00 0.00 WAT1 ATOM 4411 H2 TIP3 668 13.881 -50.507 20.925 0.00 0.00 WAT1 ATOM 4412 OH2 TIP3 669 15.834 -51.413 13.485 0.00 0.00 WAT1 ATOM 4413 H1 TIP3 669 15.640 -52.161 12.920 0.00 0.00 WAT1 ATOM 4414 H2 TIP3 669 15.795 -50.655 12.901 0.00 0.00 WAT1 ATOM 4415 OH2 TIP3 670 9.535 -40.665 -18.628 0.00 0.00 WAT1 ATOM 4416 H1 TIP3 670 9.497 -41.311 -17.923 0.00 0.00 WAT1 ATOM 4417 H2 TIP3 670 9.212 -41.131 -19.399 0.00 0.00 WAT1 ATOM 4418 OH2 TIP3 671 -0.563 -42.940 -23.107 0.00 0.00 WAT1 ATOM 4419 H1 TIP3 671 -1.011 -42.094 -23.125 0.00 0.00 WAT1 ATOM 4420 H2 TIP3 671 -1.124 -43.520 -23.622 0.00 0.00 WAT1 ATOM 4421 OH2 TIP3 672 0.147 -40.778 -20.981 0.00 0.00 WAT1 ATOM 4422 H1 TIP3 672 0.361 -41.548 -20.454 0.00 0.00 WAT1 ATOM 4423 H2 TIP3 672 0.885 -40.689 -21.584 0.00 0.00 WAT1 ATOM 4424 OH2 TIP3 673 10.352 -32.621 -20.114 0.00 0.00 WAT1 ATOM 4425 H1 TIP3 673 10.972 -33.298 -20.387 0.00 0.00 WAT1 ATOM 4426 H2 TIP3 673 10.144 -32.839 -19.206 0.00 0.00 WAT1 ATOM 4427 OH2 TIP3 674 7.924 -38.232 -18.222 0.00 0.00 WAT1 ATOM 4428 H1 TIP3 674 8.228 -38.918 -18.816 0.00 0.00 WAT1 ATOM 4429 H2 TIP3 674 8.646 -38.114 -17.604 0.00 0.00 WAT1 ATOM 4430 OH2 TIP3 675 16.587 -46.631 -17.361 0.00 0.00 WAT1 ATOM 4431 H1 TIP3 675 16.636 -46.021 -16.625 0.00 0.00 WAT1 ATOM 4432 H2 TIP3 675 17.013 -46.170 -18.084 0.00 0.00 WAT1 ATOM 4433 OH2 TIP3 676 11.065 -43.838 -17.894 0.00 0.00 WAT1 ATOM 4434 H1 TIP3 676 11.208 -44.785 -17.874 0.00 0.00 WAT1 ATOM 4435 H2 TIP3 676 10.959 -43.631 -18.823 0.00 0.00 WAT1 ATOM 4436 OH2 TIP3 677 4.220 -45.737 -20.622 0.00 0.00 WAT1 ATOM 4437 H1 TIP3 677 4.263 -44.877 -21.040 0.00 0.00 WAT1 ATOM 4438 H2 TIP3 677 3.762 -46.289 -21.255 0.00 0.00 WAT1 ATOM 4439 OH2 TIP3 678 5.996 -41.790 -20.644 0.00 0.00 WAT1 ATOM 4440 H1 TIP3 678 6.612 -42.316 -20.135 0.00 0.00 WAT1 ATOM 4441 H2 TIP3 678 5.410 -42.430 -21.048 0.00 0.00 WAT1 ATOM 4442 OH2 TIP3 679 16.979 -45.153 -15.125 0.00 0.00 WAT1 ATOM 4443 H1 TIP3 679 16.290 -44.495 -15.220 0.00 0.00 WAT1 ATOM 4444 H2 TIP3 679 16.994 -45.350 -14.188 0.00 0.00 WAT1 ATOM 4445 OH2 TIP3 680 14.053 -47.600 -16.561 0.00 0.00 WAT1 ATOM 4446 H1 TIP3 680 13.317 -46.989 -16.599 0.00 0.00 WAT1 ATOM 4447 H2 TIP3 680 14.737 -47.185 -17.087 0.00 0.00 WAT1 ATOM 4448 OH2 TIP3 681 14.850 -37.638 -14.367 0.00 0.00 WAT1 ATOM 4449 H1 TIP3 681 14.990 -38.229 -15.106 0.00 0.00 WAT1 ATOM 4450 H2 TIP3 681 15.018 -36.765 -14.723 0.00 0.00 WAT1 ATOM 4451 OH2 TIP3 682 16.692 -41.298 -16.301 0.00 0.00 WAT1 ATOM 4452 H1 TIP3 682 16.040 -40.603 -16.212 0.00 0.00 WAT1 ATOM 4453 H2 TIP3 682 17.157 -41.088 -17.111 0.00 0.00 WAT1 ATOM 4454 OH2 TIP3 683 12.626 -42.292 -14.575 0.00 0.00 WAT1 ATOM 4455 H1 TIP3 683 12.706 -41.529 -14.003 0.00 0.00 WAT1 ATOM 4456 H2 TIP3 683 12.025 -42.013 -15.266 0.00 0.00 WAT1 ATOM 4457 OH2 TIP3 684 4.374 -39.836 -21.760 0.00 0.00 WAT1 ATOM 4458 H1 TIP3 684 4.044 -40.206 -22.579 0.00 0.00 WAT1 ATOM 4459 H2 TIP3 684 4.962 -40.506 -21.414 0.00 0.00 WAT1 ATOM 4460 OH2 TIP3 685 11.050 -35.564 -17.393 0.00 0.00 WAT1 ATOM 4461 H1 TIP3 685 10.809 -34.902 -16.745 0.00 0.00 WAT1 ATOM 4462 H2 TIP3 685 10.852 -36.398 -16.968 0.00 0.00 WAT1 ATOM 4463 OH2 TIP3 686 2.452 -32.822 -22.327 0.00 0.00 WAT1 ATOM 4464 H1 TIP3 686 2.604 -33.170 -21.448 0.00 0.00 WAT1 ATOM 4465 H2 TIP3 686 1.601 -33.178 -22.582 0.00 0.00 WAT1 ATOM 4466 OH2 TIP3 687 4.325 -48.610 -18.317 0.00 0.00 WAT1 ATOM 4467 H1 TIP3 687 3.464 -48.697 -18.725 0.00 0.00 WAT1 ATOM 4468 H2 TIP3 687 4.303 -47.754 -17.890 0.00 0.00 WAT1 ATOM 4469 OH2 TIP3 688 8.988 -48.888 -14.943 0.00 0.00 WAT1 ATOM 4470 H1 TIP3 688 9.408 -49.303 -14.190 0.00 0.00 WAT1 ATOM 4471 H2 TIP3 688 8.055 -49.066 -14.826 0.00 0.00 WAT1 ATOM 4472 OH2 TIP3 689 4.413 -43.423 -22.310 0.00 0.00 WAT1 ATOM 4473 H1 TIP3 689 3.520 -43.764 -22.369 0.00 0.00 WAT1 ATOM 4474 H2 TIP3 689 4.864 -43.800 -23.066 0.00 0.00 WAT1 ATOM 4475 OH2 TIP3 690 0.049 -45.462 -26.081 0.00 0.00 WAT1 ATOM 4476 H1 TIP3 690 0.523 -44.871 -26.666 0.00 0.00 WAT1 ATOM 4477 H2 TIP3 690 -0.669 -44.931 -25.734 0.00 0.00 WAT1 ATOM 4478 OH2 TIP3 691 10.217 -41.923 -16.008 0.00 0.00 WAT1 ATOM 4479 H1 TIP3 691 10.541 -42.554 -16.651 0.00 0.00 WAT1 ATOM 4480 H2 TIP3 691 9.777 -42.458 -15.347 0.00 0.00 WAT1 ATOM 4481 OH2 TIP3 692 6.995 -45.996 -21.224 0.00 0.00 WAT1 ATOM 4482 H1 TIP3 692 6.084 -45.939 -20.935 0.00 0.00 WAT1 ATOM 4483 H2 TIP3 692 7.500 -46.056 -20.413 0.00 0.00 WAT1 ATOM 4484 OH2 TIP3 693 1.823 -44.367 -22.397 0.00 0.00 WAT1 ATOM 4485 H1 TIP3 693 0.934 -44.267 -22.737 0.00 0.00 WAT1 ATOM 4486 H2 TIP3 693 2.119 -45.209 -22.743 0.00 0.00 WAT1 ATOM 4487 OH2 TIP3 694 11.400 -46.761 -17.960 0.00 0.00 WAT1 ATOM 4488 H1 TIP3 694 10.723 -46.630 -17.296 0.00 0.00 WAT1 ATOM 4489 H2 TIP3 694 10.914 -46.916 -18.770 0.00 0.00 WAT1 ATOM 4490 OH2 TIP3 695 14.687 -31.089 -11.683 0.00 0.00 WAT1 ATOM 4491 H1 TIP3 695 14.887 -30.665 -12.518 0.00 0.00 WAT1 ATOM 4492 H2 TIP3 695 15.343 -30.746 -11.076 0.00 0.00 WAT1 ATOM 4493 OH2 TIP3 696 8.315 -43.208 -19.337 0.00 0.00 WAT1 ATOM 4494 H1 TIP3 696 8.879 -43.755 -19.884 0.00 0.00 WAT1 ATOM 4495 H2 TIP3 696 8.167 -43.730 -18.548 0.00 0.00 WAT1 ATOM 4496 OH2 TIP3 697 3.317 -47.072 -22.919 0.00 0.00 WAT1 ATOM 4497 H1 TIP3 697 3.000 -47.974 -22.954 0.00 0.00 WAT1 ATOM 4498 H2 TIP3 697 4.098 -47.070 -23.471 0.00 0.00 WAT1 ATOM 4499 OH2 TIP3 698 6.941 -44.820 -16.923 0.00 0.00 WAT1 ATOM 4500 H1 TIP3 698 6.106 -44.366 -16.813 0.00 0.00 WAT1 ATOM 4501 H2 TIP3 698 7.465 -44.544 -16.171 0.00 0.00 WAT1 ATOM 4502 OH2 TIP3 699 14.635 -39.474 -16.452 0.00 0.00 WAT1 ATOM 4503 H1 TIP3 699 15.277 -39.017 -16.995 0.00 0.00 WAT1 ATOM 4504 H2 TIP3 699 13.805 -39.361 -16.914 0.00 0.00 WAT1 ATOM 4505 OH2 TIP3 700 9.005 -38.423 -14.001 0.00 0.00 WAT1 ATOM 4506 H1 TIP3 700 8.659 -38.804 -13.195 0.00 0.00 WAT1 ATOM 4507 H2 TIP3 700 8.805 -37.489 -13.930 0.00 0.00 WAT1 ATOM 4508 OH2 TIP3 701 11.255 -35.961 -14.051 0.00 0.00 WAT1 ATOM 4509 H1 TIP3 701 10.354 -35.778 -14.319 0.00 0.00 WAT1 ATOM 4510 H2 TIP3 701 11.289 -35.702 -13.130 0.00 0.00 WAT1 ATOM 4511 OH2 TIP3 702 16.950 -37.916 -12.847 0.00 0.00 WAT1 ATOM 4512 H1 TIP3 702 16.098 -37.678 -13.214 0.00 0.00 WAT1 ATOM 4513 H2 TIP3 702 17.540 -37.933 -13.600 0.00 0.00 WAT1 ATOM 4514 OH2 TIP3 703 12.442 -40.122 -18.197 0.00 0.00 WAT1 ATOM 4515 H1 TIP3 703 11.514 -40.354 -18.224 0.00 0.00 WAT1 ATOM 4516 H2 TIP3 703 12.893 -40.899 -18.527 0.00 0.00 WAT1 ATOM 4517 OH2 TIP3 704 4.985 -35.794 -22.064 0.00 0.00 WAT1 ATOM 4518 H1 TIP3 704 5.512 -35.021 -22.265 0.00 0.00 WAT1 ATOM 4519 H2 TIP3 704 4.105 -35.569 -22.366 0.00 0.00 WAT1 ATOM 4520 OH2 TIP3 705 6.412 -38.131 -22.488 0.00 0.00 WAT1 ATOM 4521 H1 TIP3 705 6.171 -37.206 -22.446 0.00 0.00 WAT1 ATOM 4522 H2 TIP3 705 5.672 -38.590 -22.092 0.00 0.00 WAT1 ATOM 4523 OH2 TIP3 706 5.096 -33.109 -22.943 0.00 0.00 WAT1 ATOM 4524 H1 TIP3 706 4.146 -33.004 -22.891 0.00 0.00 WAT1 ATOM 4525 H2 TIP3 706 5.447 -32.289 -22.598 0.00 0.00 WAT1 ATOM 4526 OH2 TIP3 707 10.471 -37.883 -16.472 0.00 0.00 WAT1 ATOM 4527 H1 TIP3 707 10.045 -38.110 -15.646 0.00 0.00 WAT1 ATOM 4528 H2 TIP3 707 11.052 -38.621 -16.655 0.00 0.00 WAT1 ATOM 4529 OH2 TIP3 708 13.130 -33.331 -14.003 0.00 0.00 WAT1 ATOM 4530 H1 TIP3 708 12.528 -33.886 -14.498 0.00 0.00 WAT1 ATOM 4531 H2 TIP3 708 13.411 -32.664 -14.629 0.00 0.00 WAT1 ATOM 4532 OH2 TIP3 709 9.987 -46.357 -15.706 0.00 0.00 WAT1 ATOM 4533 H1 TIP3 709 10.685 -46.283 -15.056 0.00 0.00 WAT1 ATOM 4534 H2 TIP3 709 9.606 -47.221 -15.551 0.00 0.00 WAT1 ATOM 4535 OH2 TIP3 710 8.507 -43.991 -14.589 0.00 0.00 WAT1 ATOM 4536 H1 TIP3 710 8.626 -43.417 -13.832 0.00 0.00 WAT1 ATOM 4537 H2 TIP3 710 9.162 -44.679 -14.474 0.00 0.00 WAT1 ATOM 4538 OH2 TIP3 711 1.895 -48.959 -19.299 0.00 0.00 WAT1 ATOM 4539 H1 TIP3 711 1.666 -48.900 -20.226 0.00 0.00 WAT1 ATOM 4540 H2 TIP3 711 1.452 -49.751 -18.992 0.00 0.00 WAT1 ATOM 4541 OH2 TIP3 712 0.825 -35.019 -23.138 0.00 0.00 WAT1 ATOM 4542 H1 TIP3 712 -0.007 -34.546 -23.111 0.00 0.00 WAT1 ATOM 4543 H2 TIP3 712 1.371 -34.509 -23.737 0.00 0.00 WAT1 ATOM 4544 OH2 TIP3 713 11.288 -35.107 -11.459 0.00 0.00 WAT1 ATOM 4545 H1 TIP3 713 10.937 -35.963 -11.216 0.00 0.00 WAT1 ATOM 4546 H2 TIP3 713 12.014 -34.964 -10.852 0.00 0.00 WAT1 ATOM 4547 OH2 TIP3 714 12.411 -38.710 -14.038 0.00 0.00 WAT1 ATOM 4548 H1 TIP3 714 13.156 -38.122 -14.158 0.00 0.00 WAT1 ATOM 4549 H2 TIP3 714 11.654 -38.128 -13.975 0.00 0.00 WAT1 ATOM 4550 OH2 TIP3 715 5.552 -46.662 -15.485 0.00 0.00 WAT1 ATOM 4551 H1 TIP3 715 6.088 -46.211 -16.137 0.00 0.00 WAT1 ATOM 4552 H2 TIP3 715 4.700 -46.770 -15.907 0.00 0.00 WAT1 ATOM 4553 OH2 TIP3 716 6.358 -49.206 -15.053 0.00 0.00 WAT1 ATOM 4554 H1 TIP3 716 6.260 -48.259 -15.159 0.00 0.00 WAT1 ATOM 4555 H2 TIP3 716 5.615 -49.578 -15.529 0.00 0.00 WAT1 ATOM 4556 OH2 TIP3 717 6.580 -49.912 -12.382 0.00 0.00 WAT1 ATOM 4557 H1 TIP3 717 7.292 -50.552 -12.396 0.00 0.00 WAT1 ATOM 4558 H2 TIP3 717 6.479 -49.645 -13.296 0.00 0.00 WAT1 ATOM 4559 OH2 TIP3 718 -0.433 -33.236 -20.787 0.00 0.00 WAT1 ATOM 4560 H1 TIP3 718 -0.767 -34.117 -20.615 0.00 0.00 WAT1 ATOM 4561 H2 TIP3 718 -0.211 -32.891 -19.923 0.00 0.00 WAT1 ATOM 4562 OH2 TIP3 719 15.130 -37.070 -10.247 0.00 0.00 WAT1 ATOM 4563 H1 TIP3 719 14.264 -37.175 -9.853 0.00 0.00 WAT1 ATOM 4564 H2 TIP3 719 15.506 -36.311 -9.800 0.00 0.00 WAT1 ATOM 4565 OH2 TIP3 720 -0.353 -40.161 -18.336 0.00 0.00 WAT1 ATOM 4566 H1 TIP3 720 -0.169 -40.243 -19.271 0.00 0.00 WAT1 ATOM 4567 H2 TIP3 720 0.496 -40.285 -17.912 0.00 0.00 WAT1 ATOM 4568 OH2 TIP3 721 15.468 -40.269 -12.707 0.00 0.00 WAT1 ATOM 4569 H1 TIP3 721 16.051 -41.003 -12.516 0.00 0.00 WAT1 ATOM 4570 H2 TIP3 721 16.032 -39.497 -12.661 0.00 0.00 WAT1 ATOM 4571 OH2 TIP3 722 16.965 -42.366 -12.023 0.00 0.00 WAT1 ATOM 4572 H1 TIP3 722 16.102 -42.745 -12.188 0.00 0.00 WAT1 ATOM 4573 H2 TIP3 722 17.569 -43.105 -12.097 0.00 0.00 WAT1 ATOM 4574 OH2 TIP3 723 14.934 -44.075 -18.448 0.00 0.00 WAT1 ATOM 4575 H1 TIP3 723 15.867 -43.863 -18.482 0.00 0.00 WAT1 ATOM 4576 H2 TIP3 723 14.699 -43.973 -17.525 0.00 0.00 WAT1 ATOM 4577 OH2 TIP3 724 14.963 -43.338 -15.672 0.00 0.00 WAT1 ATOM 4578 H1 TIP3 724 14.120 -43.070 -15.306 0.00 0.00 WAT1 ATOM 4579 H2 TIP3 724 15.406 -42.516 -15.883 0.00 0.00 WAT1 ATOM 4580 OH2 TIP3 725 -0.917 -47.321 -24.180 0.00 0.00 WAT1 ATOM 4581 H1 TIP3 725 -1.842 -47.112 -24.310 0.00 0.00 WAT1 ATOM 4582 H2 TIP3 725 -0.463 -46.837 -24.870 0.00 0.00 WAT1 ATOM 4583 OH2 TIP3 726 -0.953 -48.583 -15.836 0.00 0.00 WAT1 ATOM 4584 H1 TIP3 726 -1.618 -48.829 -15.193 0.00 0.00 WAT1 ATOM 4585 H2 TIP3 726 -1.396 -47.961 -16.413 0.00 0.00 WAT1 ATOM 4586 OH2 TIP3 727 10.849 -31.749 -13.230 0.00 0.00 WAT1 ATOM 4587 H1 TIP3 727 11.526 -32.381 -13.470 0.00 0.00 WAT1 ATOM 4588 H2 TIP3 727 11.171 -31.347 -12.422 0.00 0.00 WAT1 ATOM 4589 OH2 TIP3 728 8.773 -31.689 -17.180 0.00 0.00 WAT1 ATOM 4590 H1 TIP3 728 8.316 -31.160 -17.834 0.00 0.00 WAT1 ATOM 4591 H2 TIP3 728 8.936 -31.086 -16.455 0.00 0.00 WAT1 ATOM 4592 OH2 TIP3 729 11.100 -32.811 -16.235 0.00 0.00 WAT1 ATOM 4593 H1 TIP3 729 10.196 -32.646 -16.501 0.00 0.00 WAT1 ATOM 4594 H2 TIP3 729 11.529 -31.958 -16.301 0.00 0.00 WAT1 ATOM 4595 OH2 TIP3 730 1.010 -32.554 -18.475 0.00 0.00 WAT1 ATOM 4596 H1 TIP3 730 0.991 -32.979 -17.618 0.00 0.00 WAT1 ATOM 4597 H2 TIP3 730 1.815 -32.872 -18.884 0.00 0.00 WAT1 ATOM 4598 OH2 TIP3 731 3.151 -33.844 -19.820 0.00 0.00 WAT1 ATOM 4599 H1 TIP3 731 2.932 -34.760 -19.651 0.00 0.00 WAT1 ATOM 4600 H2 TIP3 731 3.975 -33.704 -19.354 0.00 0.00 WAT1 ATOM 4601 OH2 TIP3 732 1.523 -49.076 -22.005 0.00 0.00 WAT1 ATOM 4602 H1 TIP3 732 0.746 -49.310 -22.513 0.00 0.00 WAT1 ATOM 4603 H2 TIP3 732 2.054 -49.873 -21.997 0.00 0.00 WAT1 ATOM 4604 OH2 TIP3 733 1.481 -48.562 -12.488 0.00 0.00 WAT1 ATOM 4605 H1 TIP3 733 1.115 -49.327 -12.045 0.00 0.00 WAT1 ATOM 4606 H2 TIP3 733 2.394 -48.533 -12.201 0.00 0.00 WAT1 ATOM 4607 OH2 TIP3 734 15.052 -33.806 -12.077 0.00 0.00 WAT1 ATOM 4608 H1 TIP3 734 14.270 -33.992 -12.597 0.00 0.00 WAT1 ATOM 4609 H2 TIP3 734 14.980 -32.877 -11.860 0.00 0.00 WAT1 ATOM 4610 OH2 TIP3 735 16.488 -35.188 -8.912 0.00 0.00 WAT1 ATOM 4611 H1 TIP3 735 16.561 -34.249 -8.742 0.00 0.00 WAT1 ATOM 4612 H2 TIP3 735 17.393 -35.493 -8.969 0.00 0.00 WAT1 ATOM 4613 OH2 TIP3 736 12.674 -36.954 -8.542 0.00 0.00 WAT1 ATOM 4614 H1 TIP3 736 13.027 -37.334 -7.738 0.00 0.00 WAT1 ATOM 4615 H2 TIP3 736 11.725 -37.047 -8.456 0.00 0.00 WAT1 ATOM 4616 OH2 TIP3 737 17.178 -32.474 -8.341 0.00 0.00 WAT1 ATOM 4617 H1 TIP3 737 17.921 -31.888 -8.481 0.00 0.00 WAT1 ATOM 4618 H2 TIP3 737 16.483 -31.906 -8.008 0.00 0.00 WAT1 ATOM 4619 OH2 TIP3 738 13.540 -38.281 -6.316 0.00 0.00 WAT1 ATOM 4620 H1 TIP3 738 13.263 -39.009 -5.760 0.00 0.00 WAT1 ATOM 4621 H2 TIP3 738 14.467 -38.162 -6.110 0.00 0.00 WAT1 ATOM 4622 OH2 TIP3 739 13.407 -34.162 -9.723 0.00 0.00 WAT1 ATOM 4623 H1 TIP3 739 13.690 -34.956 -9.270 0.00 0.00 WAT1 ATOM 4624 H2 TIP3 739 14.147 -33.929 -10.284 0.00 0.00 WAT1 ATOM 4625 OH2 TIP3 740 9.714 -37.205 -10.130 0.00 0.00 WAT1 ATOM 4626 H1 TIP3 740 9.446 -37.025 -9.229 0.00 0.00 WAT1 ATOM 4627 H2 TIP3 740 9.508 -38.131 -10.261 0.00 0.00 WAT1 ATOM 4628 OH2 TIP3 741 15.972 -39.682 -9.852 0.00 0.00 WAT1 ATOM 4629 H1 TIP3 741 15.699 -40.107 -10.665 0.00 0.00 WAT1 ATOM 4630 H2 TIP3 741 16.012 -38.751 -10.069 0.00 0.00 WAT1 ATOM 4631 OH2 TIP3 742 16.431 -38.813 -5.877 0.00 0.00 WAT1 ATOM 4632 H1 TIP3 742 17.281 -38.392 -5.749 0.00 0.00 WAT1 ATOM 4633 H2 TIP3 742 16.436 -39.553 -5.269 0.00 0.00 WAT1 ATOM 4634 OH2 TIP3 743 17.246 -49.358 8.538 0.00 0.00 WAT1 ATOM 4635 H1 TIP3 743 17.596 -50.012 7.932 0.00 0.00 WAT1 ATOM 4636 H2 TIP3 743 17.393 -48.521 8.098 0.00 0.00 WAT1 ATOM 4637 OH2 TIP3 744 16.979 -45.153 22.587 0.00 0.00 WAT1 ATOM 4638 H1 TIP3 744 16.290 -44.495 22.492 0.00 0.00 WAT1 ATOM 4639 H2 TIP3 744 16.994 -45.350 23.524 0.00 0.00 WAT1 ATOM 4640 OH2 TIP3 745 14.850 -37.638 23.345 0.00 0.00 WAT1 ATOM 4641 H1 TIP3 745 14.990 -38.229 22.606 0.00 0.00 WAT1 ATOM 4642 H2 TIP3 745 15.018 -36.765 22.989 0.00 0.00 WAT1 ATOM 4643 OH2 TIP3 746 16.692 -41.298 21.411 0.00 0.00 WAT1 ATOM 4644 H1 TIP3 746 16.040 -40.603 21.500 0.00 0.00 WAT1 ATOM 4645 H2 TIP3 746 17.157 -41.088 20.601 0.00 0.00 WAT1 ATOM 4646 OH2 TIP3 747 3.860 -34.596 25.066 0.00 0.00 WAT1 ATOM 4647 H1 TIP3 747 3.868 -34.732 24.118 0.00 0.00 WAT1 ATOM 4648 H2 TIP3 747 2.944 -34.714 25.318 0.00 0.00 WAT1 ATOM 4649 OH2 TIP3 748 15.298 -49.554 11.567 0.00 0.00 WAT1 ATOM 4650 H1 TIP3 748 14.399 -49.415 11.862 0.00 0.00 WAT1 ATOM 4651 H2 TIP3 748 15.550 -48.723 11.165 0.00 0.00 WAT1 ATOM 4652 OH2 TIP3 749 17.405 -34.957 24.922 0.00 0.00 WAT1 ATOM 4653 H1 TIP3 749 17.356 -35.912 24.885 0.00 0.00 WAT1 ATOM 4654 H2 TIP3 749 16.579 -34.689 25.324 0.00 0.00 WAT1 ATOM 4655 OH2 TIP3 750 14.557 -43.464 25.402 0.00 0.00 WAT1 ATOM 4656 H1 TIP3 750 14.150 -42.983 24.682 0.00 0.00 WAT1 ATOM 4657 H2 TIP3 750 14.598 -44.369 25.095 0.00 0.00 WAT1 ATOM 4658 OH2 TIP3 751 9.051 -42.832 25.707 0.00 0.00 WAT1 ATOM 4659 H1 TIP3 751 8.488 -43.536 26.027 0.00 0.00 WAT1 ATOM 4660 H2 TIP3 751 9.877 -42.952 26.174 0.00 0.00 WAT1 ATOM 4661 OH2 TIP3 752 14.687 -31.089 26.029 0.00 0.00 WAT1 ATOM 4662 H1 TIP3 752 14.887 -30.665 25.194 0.00 0.00 WAT1 ATOM 4663 H2 TIP3 752 15.343 -30.746 26.636 0.00 0.00 WAT1 ATOM 4664 OH2 TIP3 753 14.635 -39.474 21.260 0.00 0.00 WAT1 ATOM 4665 H1 TIP3 753 15.277 -39.017 20.717 0.00 0.00 WAT1 ATOM 4666 H2 TIP3 753 13.805 -39.361 20.798 0.00 0.00 WAT1 ATOM 4667 OH2 TIP3 754 16.950 -37.916 24.865 0.00 0.00 WAT1 ATOM 4668 H1 TIP3 754 16.098 -37.678 24.498 0.00 0.00 WAT1 ATOM 4669 H2 TIP3 754 17.540 -37.933 24.112 0.00 0.00 WAT1 ATOM 4670 OH2 TIP3 755 13.130 -33.331 23.709 0.00 0.00 WAT1 ATOM 4671 H1 TIP3 755 12.528 -33.886 23.214 0.00 0.00 WAT1 ATOM 4672 H2 TIP3 755 13.411 -32.664 23.083 0.00 0.00 WAT1 ATOM 4673 OH2 TIP3 756 0.114 -32.406 25.904 0.00 0.00 WAT1 ATOM 4674 H1 TIP3 756 0.654 -32.623 26.663 0.00 0.00 WAT1 ATOM 4675 H2 TIP3 756 -0.367 -33.212 25.714 0.00 0.00 WAT1 ATOM 4676 OH2 TIP3 757 4.711 -33.487 27.524 0.00 0.00 WAT1 ATOM 4677 H1 TIP3 757 5.479 -33.946 27.865 0.00 0.00 WAT1 ATOM 4678 H2 TIP3 757 4.690 -33.713 26.594 0.00 0.00 WAT1 ATOM 4679 OH2 TIP3 758 11.288 -35.107 26.253 0.00 0.00 WAT1 ATOM 4680 H1 TIP3 758 10.937 -35.963 26.496 0.00 0.00 WAT1 ATOM 4681 H2 TIP3 758 12.014 -34.964 26.860 0.00 0.00 WAT1 ATOM 4682 OH2 TIP3 759 6.676 -38.626 26.291 0.00 0.00 WAT1 ATOM 4683 H1 TIP3 759 6.348 -38.355 25.433 0.00 0.00 WAT1 ATOM 4684 H2 TIP3 759 6.828 -39.567 26.203 0.00 0.00 WAT1 ATOM 4685 OH2 TIP3 760 9.820 -39.916 26.930 0.00 0.00 WAT1 ATOM 4686 H1 TIP3 760 10.773 -39.832 26.902 0.00 0.00 WAT1 ATOM 4687 H2 TIP3 760 9.660 -40.627 27.549 0.00 0.00 WAT1 ATOM 4688 OH2 TIP3 761 11.550 -43.408 27.495 0.00 0.00 WAT1 ATOM 4689 H1 TIP3 761 11.742 -44.339 27.384 0.00 0.00 WAT1 ATOM 4690 H2 TIP3 761 12.407 -42.983 27.485 0.00 0.00 WAT1 ATOM 4691 OH2 TIP3 762 12.866 -40.619 25.573 0.00 0.00 WAT1 ATOM 4692 H1 TIP3 762 12.585 -39.910 24.995 0.00 0.00 WAT1 ATOM 4693 H2 TIP3 762 13.809 -40.692 25.422 0.00 0.00 WAT1 ATOM 4694 OH2 TIP3 763 7.622 -44.884 26.222 0.00 0.00 WAT1 ATOM 4695 H1 TIP3 763 7.386 -45.104 27.124 0.00 0.00 WAT1 ATOM 4696 H2 TIP3 763 6.839 -45.091 25.713 0.00 0.00 WAT1 ATOM 4697 OH2 TIP3 764 11.972 -47.123 27.303 0.00 0.00 WAT1 ATOM 4698 H1 TIP3 764 11.875 -48.075 27.297 0.00 0.00 WAT1 ATOM 4699 H2 TIP3 764 11.650 -46.854 28.164 0.00 0.00 WAT1 ATOM 4700 OH2 TIP3 765 1.799 -45.913 26.351 0.00 0.00 WAT1 ATOM 4701 H1 TIP3 765 2.010 -46.620 25.740 0.00 0.00 WAT1 ATOM 4702 H2 TIP3 765 1.687 -46.351 27.195 0.00 0.00 WAT1 ATOM 4703 OH2 TIP3 766 6.580 -49.912 25.330 0.00 0.00 WAT1 ATOM 4704 H1 TIP3 766 7.292 -50.552 25.316 0.00 0.00 WAT1 ATOM 4705 H2 TIP3 766 6.479 -49.645 24.416 0.00 0.00 WAT1 ATOM 4706 OH2 TIP3 767 6.933 -48.229 27.384 0.00 0.00 WAT1 ATOM 4707 H1 TIP3 767 6.802 -48.705 26.563 0.00 0.00 WAT1 ATOM 4708 H2 TIP3 767 6.334 -47.485 27.328 0.00 0.00 WAT1 ATOM 4709 OH2 TIP3 768 17.116 -32.427 19.905 0.00 0.00 WAT1 ATOM 4710 H1 TIP3 768 17.094 -32.242 20.844 0.00 0.00 WAT1 ATOM 4711 H2 TIP3 768 17.806 -31.858 19.564 0.00 0.00 WAT1 ATOM 4712 OH2 TIP3 769 16.679 -32.860 22.827 0.00 0.00 WAT1 ATOM 4713 H1 TIP3 769 16.192 -33.595 22.456 0.00 0.00 WAT1 ATOM 4714 H2 TIP3 769 17.228 -33.253 23.505 0.00 0.00 WAT1 ATOM 4715 OH2 TIP3 770 15.130 -37.070 27.465 0.00 0.00 WAT1 ATOM 4716 H1 TIP3 770 14.264 -37.175 27.859 0.00 0.00 WAT1 ATOM 4717 H2 TIP3 770 15.506 -36.311 27.912 0.00 0.00 WAT1 ATOM 4718 OH2 TIP3 771 15.071 -35.097 22.058 0.00 0.00 WAT1 ATOM 4719 H1 TIP3 771 14.423 -34.772 22.683 0.00 0.00 WAT1 ATOM 4720 H2 TIP3 771 14.553 -35.537 21.383 0.00 0.00 WAT1 ATOM 4721 OH2 TIP3 772 15.468 -40.269 25.005 0.00 0.00 WAT1 ATOM 4722 H1 TIP3 772 16.051 -41.003 25.196 0.00 0.00 WAT1 ATOM 4723 H2 TIP3 772 16.032 -39.497 25.051 0.00 0.00 WAT1 ATOM 4724 OH2 TIP3 773 16.965 -42.366 25.689 0.00 0.00 WAT1 ATOM 4725 H1 TIP3 773 16.102 -42.745 25.524 0.00 0.00 WAT1 ATOM 4726 H2 TIP3 773 17.569 -43.105 25.615 0.00 0.00 WAT1 ATOM 4727 OH2 TIP3 774 14.936 -47.393 13.877 0.00 0.00 WAT1 ATOM 4728 H1 TIP3 774 15.118 -47.842 14.702 0.00 0.00 WAT1 ATOM 4729 H2 TIP3 774 14.336 -47.978 13.413 0.00 0.00 WAT1 ATOM 4730 OH2 TIP3 775 16.766 -47.249 25.743 0.00 0.00 WAT1 ATOM 4731 H1 TIP3 775 15.849 -46.978 25.707 0.00 0.00 WAT1 ATOM 4732 H2 TIP3 775 16.889 -47.784 24.959 0.00 0.00 WAT1 ATOM 4733 OH2 TIP3 776 16.802 -47.326 10.405 0.00 0.00 WAT1 ATOM 4734 H1 TIP3 776 17.215 -48.047 9.929 0.00 0.00 WAT1 ATOM 4735 H2 TIP3 776 17.484 -46.656 10.463 0.00 0.00 WAT1 ATOM 4736 OH2 TIP3 777 -0.953 -48.583 21.876 0.00 0.00 WAT1 ATOM 4737 H1 TIP3 777 -1.618 -48.829 22.519 0.00 0.00 WAT1 ATOM 4738 H2 TIP3 777 -1.396 -47.961 21.299 0.00 0.00 WAT1 ATOM 4739 OH2 TIP3 778 15.767 -49.159 23.562 0.00 0.00 WAT1 ATOM 4740 H1 TIP3 778 14.954 -48.834 23.174 0.00 0.00 WAT1 ATOM 4741 H2 TIP3 778 16.000 -49.919 23.029 0.00 0.00 WAT1 ATOM 4742 OH2 TIP3 779 14.339 -49.603 17.997 0.00 0.00 WAT1 ATOM 4743 H1 TIP3 779 14.943 -49.055 17.496 0.00 0.00 WAT1 ATOM 4744 H2 TIP3 779 13.470 -49.283 17.757 0.00 0.00 WAT1 ATOM 4745 OH2 TIP3 780 16.066 -48.464 16.331 0.00 0.00 WAT1 ATOM 4746 H1 TIP3 780 16.678 -48.978 15.804 0.00 0.00 WAT1 ATOM 4747 H2 TIP3 780 16.449 -47.586 16.354 0.00 0.00 WAT1 ATOM 4748 OH2 TIP3 781 13.013 -49.093 12.862 0.00 0.00 WAT1 ATOM 4749 H1 TIP3 781 12.310 -48.479 12.652 0.00 0.00 WAT1 ATOM 4750 H2 TIP3 781 12.568 -49.931 12.993 0.00 0.00 WAT1 ATOM 4751 OH2 TIP3 782 1.481 -48.562 25.224 0.00 0.00 WAT1 ATOM 4752 H1 TIP3 782 1.115 -49.327 25.667 0.00 0.00 WAT1 ATOM 4753 H2 TIP3 782 2.394 -48.533 25.511 0.00 0.00 WAT1 ATOM 4754 OH2 TIP3 783 3.454 -49.211 26.760 0.00 0.00 WAT1 ATOM 4755 H1 TIP3 783 4.353 -49.485 26.575 0.00 0.00 WAT1 ATOM 4756 H2 TIP3 783 3.068 -49.954 27.224 0.00 0.00 WAT1 ATOM 4757 OH2 TIP3 784 11.876 -49.879 26.942 0.00 0.00 WAT1 ATOM 4758 H1 TIP3 784 11.952 -50.305 27.796 0.00 0.00 WAT1 ATOM 4759 H2 TIP3 784 12.769 -49.865 26.600 0.00 0.00 WAT1 ATOM 4760 OH2 TIP3 785 15.052 -33.806 25.635 0.00 0.00 WAT1 ATOM 4761 H1 TIP3 785 14.270 -33.992 25.115 0.00 0.00 WAT1 ATOM 4762 H2 TIP3 785 14.980 -32.877 25.852 0.00 0.00 WAT1 ATOM 4763 OH2 TIP3 786 0.128 -37.508 31.877 0.00 0.00 WAT1 ATOM 4764 H1 TIP3 786 -0.144 -37.279 30.988 0.00 0.00 WAT1 ATOM 4765 H2 TIP3 786 0.173 -36.670 32.337 0.00 0.00 WAT1 ATOM 4766 OH2 TIP3 787 9.377 -42.218 29.012 0.00 0.00 WAT1 ATOM 4767 H1 TIP3 787 10.078 -42.196 29.663 0.00 0.00 WAT1 ATOM 4768 H2 TIP3 787 9.679 -42.846 28.356 0.00 0.00 WAT1 ATOM 4769 OH2 TIP3 788 13.077 -40.271 28.240 0.00 0.00 WAT1 ATOM 4770 H1 TIP3 788 13.119 -40.494 27.310 0.00 0.00 WAT1 ATOM 4771 H2 TIP3 788 13.926 -39.873 28.430 0.00 0.00 WAT1 ATOM 4772 OH2 TIP3 789 8.650 -46.395 28.910 0.00 0.00 WAT1 ATOM 4773 H1 TIP3 789 8.396 -46.376 29.833 0.00 0.00 WAT1 ATOM 4774 H2 TIP3 789 8.393 -47.267 28.609 0.00 0.00 WAT1 ATOM 4775 OH2 TIP3 790 5.532 -45.950 28.011 0.00 0.00 WAT1 ATOM 4776 H1 TIP3 790 5.101 -46.395 28.741 0.00 0.00 WAT1 ATOM 4777 H2 TIP3 790 4.814 -45.578 27.499 0.00 0.00 WAT1 ATOM 4778 OH2 TIP3 791 0.049 -45.462 30.487 0.00 0.00 WAT1 ATOM 4779 H1 TIP3 791 0.523 -44.871 29.902 0.00 0.00 WAT1 ATOM 4780 H2 TIP3 791 -0.669 -44.931 30.834 0.00 0.00 WAT1 ATOM 4781 OH2 TIP3 792 4.150 -43.172 29.394 0.00 0.00 WAT1 ATOM 4782 H1 TIP3 792 3.608 -43.552 28.703 0.00 0.00 WAT1 ATOM 4783 H2 TIP3 792 4.984 -42.978 28.965 0.00 0.00 WAT1 ATOM 4784 OH2 TIP3 793 11.383 -45.793 29.529 0.00 0.00 WAT1 ATOM 4785 H1 TIP3 793 10.445 -45.681 29.378 0.00 0.00 WAT1 ATOM 4786 H2 TIP3 793 11.680 -44.936 29.835 0.00 0.00 WAT1 ATOM 4787 OH2 TIP3 794 0.740 -40.932 29.091 0.00 0.00 WAT1 ATOM 4788 H1 TIP3 794 1.356 -40.305 29.470 0.00 0.00 WAT1 ATOM 4789 H2 TIP3 794 -0.122 -40.616 29.362 0.00 0.00 WAT1 ATOM 4790 OH2 TIP3 795 12.674 -36.954 29.170 0.00 0.00 WAT1 ATOM 4791 H1 TIP3 795 13.027 -37.334 29.974 0.00 0.00 WAT1 ATOM 4792 H2 TIP3 795 11.725 -37.047 29.256 0.00 0.00 WAT1 ATOM 4793 OH2 TIP3 796 6.765 -35.842 27.617 0.00 0.00 WAT1 ATOM 4794 H1 TIP3 796 7.004 -36.590 27.069 0.00 0.00 WAT1 ATOM 4795 H2 TIP3 796 6.496 -36.230 28.449 0.00 0.00 WAT1 ATOM 4796 OH2 TIP3 797 5.702 -36.272 30.073 0.00 0.00 WAT1 ATOM 4797 H1 TIP3 797 5.849 -36.792 30.863 0.00 0.00 WAT1 ATOM 4798 H2 TIP3 797 5.699 -35.365 30.379 0.00 0.00 WAT1 ATOM 4799 OH2 TIP3 798 2.155 -39.019 30.583 0.00 0.00 WAT1 ATOM 4800 H1 TIP3 798 1.469 -38.667 31.150 0.00 0.00 WAT1 ATOM 4801 H2 TIP3 798 2.678 -38.256 30.337 0.00 0.00 WAT1 ATOM 4802 OH2 TIP3 799 2.771 -36.405 29.480 0.00 0.00 WAT1 ATOM 4803 H1 TIP3 799 3.363 -35.706 29.756 0.00 0.00 WAT1 ATOM 4804 H2 TIP3 799 3.230 -36.838 28.761 0.00 0.00 WAT1 ATOM 4805 OH2 TIP3 800 1.087 -43.741 28.596 0.00 0.00 WAT1 ATOM 4806 H1 TIP3 800 1.042 -42.802 28.775 0.00 0.00 WAT1 ATOM 4807 H2 TIP3 800 0.199 -43.977 28.326 0.00 0.00 WAT1 ATOM 4808 OH2 TIP3 801 8.803 -33.979 27.755 0.00 0.00 WAT1 ATOM 4809 H1 TIP3 801 8.159 -34.610 28.077 0.00 0.00 WAT1 ATOM 4810 H2 TIP3 801 9.565 -34.510 27.523 0.00 0.00 WAT1 ATOM 4811 OH2 TIP3 802 13.407 -34.162 27.989 0.00 0.00 WAT1 ATOM 4812 H1 TIP3 802 13.690 -34.956 28.442 0.00 0.00 WAT1 ATOM 4813 H2 TIP3 802 14.147 -33.929 27.428 0.00 0.00 WAT1 ATOM 4814 OH2 TIP3 803 4.362 -38.252 27.846 0.00 0.00 WAT1 ATOM 4815 H1 TIP3 803 4.426 -39.046 28.377 0.00 0.00 WAT1 ATOM 4816 H2 TIP3 803 5.015 -38.371 27.157 0.00 0.00 WAT1 ATOM 4817 OH2 TIP3 804 9.714 -37.205 27.582 0.00 0.00 WAT1 ATOM 4818 H1 TIP3 804 9.446 -37.025 28.483 0.00 0.00 WAT1 ATOM 4819 H2 TIP3 804 9.508 -38.131 27.451 0.00 0.00 WAT1 ATOM 4820 OH2 TIP3 805 5.511 -40.280 30.152 0.00 0.00 WAT1 ATOM 4821 H1 TIP3 805 5.052 -40.764 30.838 0.00 0.00 WAT1 ATOM 4822 H2 TIP3 805 5.766 -40.948 29.516 0.00 0.00 WAT1 ATOM 4823 OH2 TIP3 806 6.582 -42.037 28.415 0.00 0.00 WAT1 ATOM 4824 H1 TIP3 806 6.402 -42.191 27.487 0.00 0.00 WAT1 ATOM 4825 H2 TIP3 806 7.533 -41.929 28.459 0.00 0.00 WAT1 ATOM 4826 OH2 TIP3 807 0.048 -36.710 28.899 0.00 0.00 WAT1 ATOM 4827 H1 TIP3 807 0.962 -36.631 29.172 0.00 0.00 WAT1 ATOM 4828 H2 TIP3 807 0.055 -37.397 28.232 0.00 0.00 WAT1 ATOM 4829 OH2 TIP3 808 14.690 -46.211 27.718 0.00 0.00 WAT1 ATOM 4830 H1 TIP3 808 15.300 -46.583 28.355 0.00 0.00 WAT1 ATOM 4831 H2 TIP3 808 13.853 -46.633 27.914 0.00 0.00 WAT1 ATOM 4832 OH2 TIP3 809 2.221 -47.362 28.809 0.00 0.00 WAT1 ATOM 4833 H1 TIP3 809 2.712 -47.992 28.281 0.00 0.00 WAT1 ATOM 4834 H2 TIP3 809 2.844 -47.066 29.472 0.00 0.00 WAT1 ATOM 4835 OH2 TIP3 810 9.125 -32.120 29.661 0.00 0.00 WAT1 ATOM 4836 H1 TIP3 810 9.991 -31.754 29.483 0.00 0.00 WAT1 ATOM 4837 H2 TIP3 810 8.878 -32.560 28.848 0.00 0.00 WAT1 ATOM 4838 OH2 TIP3 811 2.079 -32.410 28.289 0.00 0.00 WAT1 ATOM 4839 H1 TIP3 811 1.811 -32.123 29.162 0.00 0.00 WAT1 ATOM 4840 H2 TIP3 811 2.850 -32.956 28.441 0.00 0.00 WAT1 ATOM 4841 OH2 TIP3 812 1.903 -22.194 -17.035 0.00 0.00 WAT1 ATOM 4842 H1 TIP3 812 1.945 -22.820 -16.311 0.00 0.00 WAT1 ATOM 4843 H2 TIP3 812 2.606 -21.571 -16.853 0.00 0.00 WAT1 ATOM 4844 OH2 TIP3 813 11.065 -24.982 -17.894 0.00 0.00 WAT1 ATOM 4845 H1 TIP3 813 11.208 -25.929 -17.874 0.00 0.00 WAT1 ATOM 4846 H2 TIP3 813 10.959 -24.775 -18.823 0.00 0.00 WAT1 ATOM 4847 OH2 TIP3 814 4.220 -26.881 -20.622 0.00 0.00 WAT1 ATOM 4848 H1 TIP3 814 4.263 -26.021 -21.040 0.00 0.00 WAT1 ATOM 4849 H2 TIP3 814 3.762 -27.433 -21.255 0.00 0.00 WAT1 ATOM 4850 OH2 TIP3 815 0.840 -24.484 -19.860 0.00 0.00 WAT1 ATOM 4851 H1 TIP3 815 1.494 -25.034 -19.428 0.00 0.00 WAT1 ATOM 4852 H2 TIP3 815 0.864 -24.758 -20.776 0.00 0.00 WAT1 ATOM 4853 OH2 TIP3 816 5.599 -20.287 -16.260 0.00 0.00 WAT1 ATOM 4854 H1 TIP3 816 4.859 -19.689 -16.157 0.00 0.00 WAT1 ATOM 4855 H2 TIP3 816 6.313 -19.733 -16.576 0.00 0.00 WAT1 ATOM 4856 OH2 TIP3 817 2.624 -26.071 -18.595 0.00 0.00 WAT1 ATOM 4857 H1 TIP3 817 3.237 -25.438 -18.222 0.00 0.00 WAT1 ATOM 4858 H2 TIP3 817 3.136 -26.543 -19.252 0.00 0.00 WAT1 ATOM 4859 OH2 TIP3 818 4.007 -18.323 -15.473 0.00 0.00 WAT1 ATOM 4860 H1 TIP3 818 4.001 -17.444 -15.851 0.00 0.00 WAT1 ATOM 4861 H2 TIP3 818 3.153 -18.406 -15.048 0.00 0.00 WAT1 ATOM 4862 OH2 TIP3 819 12.626 -23.436 -14.575 0.00 0.00 WAT1 ATOM 4863 H1 TIP3 819 12.706 -22.673 -14.003 0.00 0.00 WAT1 ATOM 4864 H2 TIP3 819 12.025 -23.157 -15.266 0.00 0.00 WAT1 ATOM 4865 OH2 TIP3 820 4.741 -22.211 -18.127 0.00 0.00 WAT1 ATOM 4866 H1 TIP3 820 5.306 -22.090 -18.890 0.00 0.00 WAT1 ATOM 4867 H2 TIP3 820 5.060 -21.574 -17.488 0.00 0.00 WAT1 ATOM 4868 OH2 TIP3 821 5.621 -17.812 -13.410 0.00 0.00 WAT1 ATOM 4869 H1 TIP3 821 5.309 -17.030 -12.954 0.00 0.00 WAT1 ATOM 4870 H2 TIP3 821 4.971 -17.965 -14.096 0.00 0.00 WAT1 ATOM 4871 OH2 TIP3 822 3.860 -15.740 -12.646 0.00 0.00 WAT1 ATOM 4872 H1 TIP3 822 3.868 -15.876 -13.594 0.00 0.00 WAT1 ATOM 4873 H2 TIP3 822 2.944 -15.858 -12.394 0.00 0.00 WAT1 ATOM 4874 OH2 TIP3 823 -0.543 -19.547 -15.356 0.00 0.00 WAT1 ATOM 4875 H1 TIP3 823 -1.044 -19.575 -16.171 0.00 0.00 WAT1 ATOM 4876 H2 TIP3 823 -0.537 -20.453 -15.046 0.00 0.00 WAT1 ATOM 4877 OH2 TIP3 824 8.384 -16.527 -13.914 0.00 0.00 WAT1 ATOM 4878 H1 TIP3 824 8.471 -15.701 -13.439 0.00 0.00 WAT1 ATOM 4879 H2 TIP3 824 7.520 -16.857 -13.665 0.00 0.00 WAT1 ATOM 4880 OH2 TIP3 825 14.557 -24.608 -12.310 0.00 0.00 WAT1 ATOM 4881 H1 TIP3 825 14.150 -24.127 -13.030 0.00 0.00 WAT1 ATOM 4882 H2 TIP3 825 14.598 -25.513 -12.617 0.00 0.00 WAT1 ATOM 4883 OH2 TIP3 826 1.706 -18.224 -14.313 0.00 0.00 WAT1 ATOM 4884 H1 TIP3 826 1.923 -18.585 -13.453 0.00 0.00 WAT1 ATOM 4885 H2 TIP3 826 0.851 -18.598 -14.523 0.00 0.00 WAT1 ATOM 4886 OH2 TIP3 827 12.314 -26.276 -14.089 0.00 0.00 WAT1 ATOM 4887 H1 TIP3 827 11.800 -26.402 -13.292 0.00 0.00 WAT1 ATOM 4888 H2 TIP3 827 12.159 -25.364 -14.334 0.00 0.00 WAT1 ATOM 4889 OH2 TIP3 828 4.416 -24.788 -17.222 0.00 0.00 WAT1 ATOM 4890 H1 TIP3 828 3.774 -24.829 -16.513 0.00 0.00 WAT1 ATOM 4891 H2 TIP3 828 4.453 -23.862 -17.460 0.00 0.00 WAT1 ATOM 4892 OH2 TIP3 829 10.217 -23.067 -16.008 0.00 0.00 WAT1 ATOM 4893 H1 TIP3 829 10.541 -23.698 -16.651 0.00 0.00 WAT1 ATOM 4894 H2 TIP3 829 9.777 -23.602 -15.347 0.00 0.00 WAT1 ATOM 4895 OH2 TIP3 830 6.995 -27.140 -21.224 0.00 0.00 WAT1 ATOM 4896 H1 TIP3 830 6.084 -27.083 -20.935 0.00 0.00 WAT1 ATOM 4897 H2 TIP3 830 7.500 -27.200 -20.413 0.00 0.00 WAT1 ATOM 4898 OH2 TIP3 831 11.400 -27.905 -17.960 0.00 0.00 WAT1 ATOM 4899 H1 TIP3 831 10.723 -27.774 -17.296 0.00 0.00 WAT1 ATOM 4900 H2 TIP3 831 10.914 -28.060 -18.770 0.00 0.00 WAT1 ATOM 4901 OH2 TIP3 832 8.315 -24.352 -19.337 0.00 0.00 WAT1 ATOM 4902 H1 TIP3 832 8.879 -24.899 -19.884 0.00 0.00 WAT1 ATOM 4903 H2 TIP3 832 8.167 -24.874 -18.548 0.00 0.00 WAT1 ATOM 4904 OH2 TIP3 833 3.317 -28.216 -22.919 0.00 0.00 WAT1 ATOM 4905 H1 TIP3 833 3.000 -29.118 -22.954 0.00 0.00 WAT1 ATOM 4906 H2 TIP3 833 4.098 -28.214 -23.471 0.00 0.00 WAT1 ATOM 4907 OH2 TIP3 834 6.941 -25.964 -16.923 0.00 0.00 WAT1 ATOM 4908 H1 TIP3 834 6.106 -25.510 -16.813 0.00 0.00 WAT1 ATOM 4909 H2 TIP3 834 7.465 -25.688 -16.171 0.00 0.00 WAT1 ATOM 4910 OH2 TIP3 835 9.005 -19.567 -14.001 0.00 0.00 WAT1 ATOM 4911 H1 TIP3 835 8.659 -19.948 -13.195 0.00 0.00 WAT1 ATOM 4912 H2 TIP3 835 8.805 -18.633 -13.930 0.00 0.00 WAT1 ATOM 4913 OH2 TIP3 836 11.255 -17.105 -14.051 0.00 0.00 WAT1 ATOM 4914 H1 TIP3 836 10.354 -16.922 -14.319 0.00 0.00 WAT1 ATOM 4915 H2 TIP3 836 11.289 -16.846 -13.130 0.00 0.00 WAT1 ATOM 4916 OH2 TIP3 837 10.471 -19.027 -16.472 0.00 0.00 WAT1 ATOM 4917 H1 TIP3 837 10.045 -19.254 -15.646 0.00 0.00 WAT1 ATOM 4918 H2 TIP3 837 11.052 -19.765 -16.655 0.00 0.00 WAT1 ATOM 4919 OH2 TIP3 838 9.987 -27.501 -15.706 0.00 0.00 WAT1 ATOM 4920 H1 TIP3 838 10.685 -27.427 -15.056 0.00 0.00 WAT1 ATOM 4921 H2 TIP3 838 9.606 -28.365 -15.551 0.00 0.00 WAT1 ATOM 4922 OH2 TIP3 839 8.855 -29.040 -22.836 0.00 0.00 WAT1 ATOM 4923 H1 TIP3 839 8.508 -28.422 -22.191 0.00 0.00 WAT1 ATOM 4924 H2 TIP3 839 9.513 -28.539 -23.317 0.00 0.00 WAT1 ATOM 4925 OH2 TIP3 840 14.711 -27.228 -13.754 0.00 0.00 WAT1 ATOM 4926 H1 TIP3 840 13.795 -26.965 -13.842 0.00 0.00 WAT1 ATOM 4927 H2 TIP3 840 15.047 -27.231 -14.651 0.00 0.00 WAT1 ATOM 4928 OH2 TIP3 841 1.895 -30.103 -19.299 0.00 0.00 WAT1 ATOM 4929 H1 TIP3 841 1.666 -30.044 -20.226 0.00 0.00 WAT1 ATOM 4930 H2 TIP3 841 1.452 -30.895 -18.992 0.00 0.00 WAT1 ATOM 4931 OH2 TIP3 842 0.114 -13.550 -11.808 0.00 0.00 WAT1 ATOM 4932 H1 TIP3 842 0.654 -13.767 -11.049 0.00 0.00 WAT1 ATOM 4933 H2 TIP3 842 -0.367 -14.356 -11.998 0.00 0.00 WAT1 ATOM 4934 OH2 TIP3 843 4.711 -14.631 -10.188 0.00 0.00 WAT1 ATOM 4935 H1 TIP3 843 5.479 -15.090 -9.847 0.00 0.00 WAT1 ATOM 4936 H2 TIP3 843 4.690 -14.857 -11.118 0.00 0.00 WAT1 ATOM 4937 OH2 TIP3 844 11.288 -16.251 -11.459 0.00 0.00 WAT1 ATOM 4938 H1 TIP3 844 10.937 -17.107 -11.216 0.00 0.00 WAT1 ATOM 4939 H2 TIP3 844 12.014 -16.108 -10.852 0.00 0.00 WAT1 ATOM 4940 OH2 TIP3 845 12.411 -19.854 -14.038 0.00 0.00 WAT1 ATOM 4941 H1 TIP3 845 13.156 -19.266 -14.158 0.00 0.00 WAT1 ATOM 4942 H2 TIP3 845 11.654 -19.272 -13.975 0.00 0.00 WAT1 ATOM 4943 OH2 TIP3 846 7.134 -22.367 -15.245 0.00 0.00 WAT1 ATOM 4944 H1 TIP3 846 7.885 -22.523 -15.818 0.00 0.00 WAT1 ATOM 4945 H2 TIP3 846 6.795 -21.515 -15.521 0.00 0.00 WAT1 ATOM 4946 OH2 TIP3 847 12.866 -21.763 -12.139 0.00 0.00 WAT1 ATOM 4947 H1 TIP3 847 12.585 -21.054 -12.717 0.00 0.00 WAT1 ATOM 4948 H2 TIP3 847 13.809 -21.836 -12.290 0.00 0.00 WAT1 ATOM 4949 OH2 TIP3 848 -0.353 -21.305 -18.336 0.00 0.00 WAT1 ATOM 4950 H1 TIP3 848 -0.169 -21.387 -19.271 0.00 0.00 WAT1 ATOM 4951 H2 TIP3 848 0.496 -21.429 -17.912 0.00 0.00 WAT1 ATOM 4952 OH2 TIP3 849 17.246 -30.502 -10.318 0.00 0.00 WAT1 ATOM 4953 H1 TIP3 849 17.596 -31.156 -10.924 0.00 0.00 WAT1 ATOM 4954 H2 TIP3 849 17.393 -29.665 -10.758 0.00 0.00 WAT1 ATOM 4955 OH2 TIP3 850 0.466 -27.722 -19.304 0.00 0.00 WAT1 ATOM 4956 H1 TIP3 850 0.911 -28.514 -19.002 0.00 0.00 WAT1 ATOM 4957 H2 TIP3 850 0.932 -27.006 -18.873 0.00 0.00 WAT1 ATOM 4958 OH2 TIP3 851 -1.230 -24.723 -18.235 0.00 0.00 WAT1 ATOM 4959 H1 TIP3 851 -0.738 -24.944 -19.025 0.00 0.00 WAT1 ATOM 4960 H2 TIP3 851 -0.868 -23.882 -17.954 0.00 0.00 WAT1 ATOM 4961 OH2 TIP3 852 -0.953 -29.727 -15.836 0.00 0.00 WAT1 ATOM 4962 H1 TIP3 852 -1.618 -29.973 -15.193 0.00 0.00 WAT1 ATOM 4963 H2 TIP3 852 -1.396 -29.105 -16.413 0.00 0.00 WAT1 ATOM 4964 OH2 TIP3 853 1.239 -16.552 -11.692 0.00 0.00 WAT1 ATOM 4965 H1 TIP3 853 0.418 -16.377 -12.152 0.00 0.00 WAT1 ATOM 4966 H2 TIP3 853 0.987 -16.625 -10.771 0.00 0.00 WAT1 ATOM 4967 OH2 TIP3 854 9.197 -28.854 -19.827 0.00 0.00 WAT1 ATOM 4968 H1 TIP3 854 8.522 -29.483 -19.572 0.00 0.00 WAT1 ATOM 4969 H2 TIP3 854 9.761 -29.338 -20.430 0.00 0.00 WAT1 ATOM 4970 OH2 TIP3 855 1.523 -30.220 -22.005 0.00 0.00 WAT1 ATOM 4971 H1 TIP3 855 0.746 -30.454 -22.513 0.00 0.00 WAT1 ATOM 4972 H2 TIP3 855 2.054 -31.017 -21.997 0.00 0.00 WAT1 ATOM 4973 OH2 TIP3 856 6.103 -30.293 -22.192 0.00 0.00 WAT1 ATOM 4974 H1 TIP3 856 6.977 -29.905 -22.222 0.00 0.00 WAT1 ATOM 4975 H2 TIP3 856 5.967 -30.508 -21.269 0.00 0.00 WAT1 ATOM 4976 OH2 TIP3 857 11.660 -30.263 -20.543 0.00 0.00 WAT1 ATOM 4977 H1 TIP3 857 11.736 -30.168 -21.492 0.00 0.00 WAT1 ATOM 4978 H2 TIP3 857 11.384 -31.171 -20.414 0.00 0.00 WAT1 ATOM 4979 OH2 TIP3 858 -0.563 -24.084 -4.251 0.00 0.00 WAT1 ATOM 4980 H1 TIP3 858 -1.011 -23.238 -4.269 0.00 0.00 WAT1 ATOM 4981 H2 TIP3 858 -1.124 -24.664 -4.766 0.00 0.00 WAT1 ATOM 4982 OH2 TIP3 859 0.147 -21.922 -2.125 0.00 0.00 WAT1 ATOM 4983 H1 TIP3 859 0.361 -22.692 -1.598 0.00 0.00 WAT1 ATOM 4984 H2 TIP3 859 0.885 -21.833 -2.728 0.00 0.00 WAT1 ATOM 4985 OH2 TIP3 860 0.840 -24.484 -1.004 0.00 0.00 WAT1 ATOM 4986 H1 TIP3 860 1.494 -25.034 -0.572 0.00 0.00 WAT1 ATOM 4987 H2 TIP3 860 0.864 -24.758 -1.920 0.00 0.00 WAT1 ATOM 4988 OH2 TIP3 861 13.164 -17.348 -3.988 0.00 0.00 WAT1 ATOM 4989 H1 TIP3 861 12.907 -18.038 -4.600 0.00 0.00 WAT1 ATOM 4990 H2 TIP3 861 13.235 -17.791 -3.143 0.00 0.00 WAT1 ATOM 4991 OH2 TIP3 862 12.729 -21.610 -4.787 0.00 0.00 WAT1 ATOM 4992 H1 TIP3 862 11.997 -21.382 -4.214 0.00 0.00 WAT1 ATOM 4993 H2 TIP3 862 13.176 -22.324 -4.332 0.00 0.00 WAT1 ATOM 4994 OH2 TIP3 863 11.600 -22.448 -7.102 0.00 0.00 WAT1 ATOM 4995 H1 TIP3 863 12.179 -22.298 -6.355 0.00 0.00 WAT1 ATOM 4996 H2 TIP3 863 12.014 -21.977 -7.825 0.00 0.00 WAT1 ATOM 4997 OH2 TIP3 864 15.298 -30.698 -7.289 0.00 0.00 WAT1 ATOM 4998 H1 TIP3 864 14.399 -30.559 -6.994 0.00 0.00 WAT1 ATOM 4999 H2 TIP3 864 15.550 -29.867 -7.691 0.00 0.00 WAT1 ATOM 5000 OH2 TIP3 865 11.900 -13.601 -8.249 0.00 0.00 WAT1 ATOM 5001 H1 TIP3 865 12.275 -14.345 -8.720 0.00 0.00 WAT1 ATOM 5002 H2 TIP3 865 11.904 -13.871 -7.331 0.00 0.00 WAT1 ATOM 5003 OH2 TIP3 866 11.569 -13.675 -5.500 0.00 0.00 WAT1 ATOM 5004 H1 TIP3 866 10.634 -13.575 -5.321 0.00 0.00 WAT1 ATOM 5005 H2 TIP3 866 11.849 -14.384 -4.922 0.00 0.00 WAT1 ATOM 5006 OH2 TIP3 867 13.077 -21.415 -9.472 0.00 0.00 WAT1 ATOM 5007 H1 TIP3 867 13.119 -21.638 -10.402 0.00 0.00 WAT1 ATOM 5008 H2 TIP3 867 13.926 -21.017 -9.282 0.00 0.00 WAT1 ATOM 5009 OH2 TIP3 868 4.413 -24.567 -3.454 0.00 0.00 WAT1 ATOM 5010 H1 TIP3 868 3.520 -24.908 -3.513 0.00 0.00 WAT1 ATOM 5011 H2 TIP3 868 4.864 -24.944 -4.210 0.00 0.00 WAT1 ATOM 5012 OH2 TIP3 869 9.949 -24.151 -4.637 0.00 0.00 WAT1 ATOM 5013 H1 TIP3 869 9.540 -23.336 -4.929 0.00 0.00 WAT1 ATOM 5014 H2 TIP3 869 10.669 -24.291 -5.252 0.00 0.00 WAT1 ATOM 5015 OH2 TIP3 870 -1.226 -27.352 -2.649 0.00 0.00 WAT1 ATOM 5016 H1 TIP3 870 -0.595 -27.381 -1.929 0.00 0.00 WAT1 ATOM 5017 H2 TIP3 870 -0.776 -27.777 -3.379 0.00 0.00 WAT1 ATOM 5018 OH2 TIP3 871 14.687 -12.233 7.173 0.00 0.00 WAT1 ATOM 5019 H1 TIP3 871 14.887 -11.809 6.338 0.00 0.00 WAT1 ATOM 5020 H2 TIP3 871 15.343 -11.890 7.780 0.00 0.00 WAT1 ATOM 5021 OH2 TIP3 872 12.101 -25.070 -6.522 0.00 0.00 WAT1 ATOM 5022 H1 TIP3 872 12.993 -25.207 -6.203 0.00 0.00 WAT1 ATOM 5023 H2 TIP3 872 12.158 -24.279 -7.059 0.00 0.00 WAT1 ATOM 5024 OH2 TIP3 873 16.986 -24.860 -6.828 0.00 0.00 WAT1 ATOM 5025 H1 TIP3 873 16.432 -25.256 -7.500 0.00 0.00 WAT1 ATOM 5026 H2 TIP3 873 17.087 -23.950 -7.105 0.00 0.00 WAT1 ATOM 5027 OH2 TIP3 874 15.282 -16.074 -6.363 0.00 0.00 WAT1 ATOM 5028 H1 TIP3 874 14.909 -16.900 -6.053 0.00 0.00 WAT1 ATOM 5029 H2 TIP3 874 15.559 -16.257 -7.260 0.00 0.00 WAT1 ATOM 5030 OH2 TIP3 875 12.674 -18.098 -8.542 0.00 0.00 WAT1 ATOM 5031 H1 TIP3 875 13.027 -18.478 -7.738 0.00 0.00 WAT1 ATOM 5032 H2 TIP3 875 11.725 -18.191 -8.456 0.00 0.00 WAT1 ATOM 5033 OH2 TIP3 876 13.540 -19.425 -6.316 0.00 0.00 WAT1 ATOM 5034 H1 TIP3 876 13.263 -20.153 -5.760 0.00 0.00 WAT1 ATOM 5035 H2 TIP3 876 14.467 -19.306 -6.110 0.00 0.00 WAT1 ATOM 5036 OH2 TIP3 877 6.765 -16.986 -10.095 0.00 0.00 WAT1 ATOM 5037 H1 TIP3 877 7.004 -17.734 -10.643 0.00 0.00 WAT1 ATOM 5038 H2 TIP3 877 6.496 -17.374 -9.263 0.00 0.00 WAT1 ATOM 5039 OH2 TIP3 878 8.440 -15.718 -6.890 0.00 0.00 WAT1 ATOM 5040 H1 TIP3 878 7.623 -15.221 -6.837 0.00 0.00 WAT1 ATOM 5041 H2 TIP3 878 8.969 -15.243 -7.530 0.00 0.00 WAT1 ATOM 5042 OH2 TIP3 879 0.114 -13.550 7.048 0.00 0.00 WAT1 ATOM 5043 H1 TIP3 879 0.654 -13.767 7.807 0.00 0.00 WAT1 ATOM 5044 H2 TIP3 879 -0.367 -14.356 6.858 0.00 0.00 WAT1 ATOM 5045 OH2 TIP3 880 4.711 -14.631 8.668 0.00 0.00 WAT1 ATOM 5046 H1 TIP3 880 5.479 -15.090 9.009 0.00 0.00 WAT1 ATOM 5047 H2 TIP3 880 4.690 -14.857 7.738 0.00 0.00 WAT1 ATOM 5048 OH2 TIP3 881 8.803 -15.123 -9.957 0.00 0.00 WAT1 ATOM 5049 H1 TIP3 881 8.159 -15.754 -9.635 0.00 0.00 WAT1 ATOM 5050 H2 TIP3 881 9.565 -15.654 -10.189 0.00 0.00 WAT1 ATOM 5051 OH2 TIP3 882 0.021 -19.740 8.002 0.00 0.00 WAT1 ATOM 5052 H1 TIP3 882 0.165 -20.642 7.716 0.00 0.00 WAT1 ATOM 5053 H2 TIP3 882 -0.752 -19.454 7.514 0.00 0.00 WAT1 ATOM 5054 OH2 TIP3 883 6.676 -19.770 7.435 0.00 0.00 WAT1 ATOM 5055 H1 TIP3 883 6.348 -19.499 6.577 0.00 0.00 WAT1 ATOM 5056 H2 TIP3 883 6.828 -20.711 7.347 0.00 0.00 WAT1 ATOM 5057 OH2 TIP3 884 9.714 -18.349 -10.130 0.00 0.00 WAT1 ATOM 5058 H1 TIP3 884 9.446 -18.169 -9.229 0.00 0.00 WAT1 ATOM 5059 H2 TIP3 884 9.508 -19.275 -10.261 0.00 0.00 WAT1 ATOM 5060 OH2 TIP3 885 6.480 -12.490 -8.296 0.00 0.00 WAT1 ATOM 5061 H1 TIP3 885 7.413 -12.332 -8.152 0.00 0.00 WAT1 ATOM 5062 H2 TIP3 885 6.216 -11.815 -8.921 0.00 0.00 WAT1 ATOM 5063 OH2 TIP3 886 -1.303 -12.461 -3.736 0.00 0.00 WAT1 ATOM 5064 H1 TIP3 886 -1.950 -12.923 -4.269 0.00 0.00 WAT1 ATOM 5065 H2 TIP3 886 -0.948 -13.133 -3.153 0.00 0.00 WAT1 ATOM 5066 OH2 TIP3 887 16.431 -19.957 -5.877 0.00 0.00 WAT1 ATOM 5067 H1 TIP3 887 17.281 -19.536 -5.749 0.00 0.00 WAT1 ATOM 5068 H2 TIP3 887 16.436 -20.697 -5.269 0.00 0.00 WAT1 ATOM 5069 OH2 TIP3 888 16.825 -21.904 -4.053 0.00 0.00 WAT1 ATOM 5070 H1 TIP3 888 16.099 -22.383 -3.655 0.00 0.00 WAT1 ATOM 5071 H2 TIP3 888 17.406 -21.698 -3.321 0.00 0.00 WAT1 ATOM 5072 OH2 TIP3 889 15.442 -24.763 -9.111 0.00 0.00 WAT1 ATOM 5073 H1 TIP3 889 15.539 -24.096 -9.791 0.00 0.00 WAT1 ATOM 5074 H2 TIP3 889 15.302 -25.579 -9.593 0.00 0.00 WAT1 ATOM 5075 OH2 TIP3 890 14.690 -27.355 -9.994 0.00 0.00 WAT1 ATOM 5076 H1 TIP3 890 15.300 -27.727 -9.357 0.00 0.00 WAT1 ATOM 5077 H2 TIP3 890 13.853 -27.777 -9.798 0.00 0.00 WAT1 ATOM 5078 OH2 TIP3 891 -1.230 -24.723 0.621 0.00 0.00 WAT1 ATOM 5079 H1 TIP3 891 -0.738 -24.944 -0.169 0.00 0.00 WAT1 ATOM 5080 H2 TIP3 891 -0.868 -23.882 0.902 0.00 0.00 WAT1 ATOM 5081 OH2 TIP3 892 16.802 -28.470 -8.451 0.00 0.00 WAT1 ATOM 5082 H1 TIP3 892 17.215 -29.191 -8.927 0.00 0.00 WAT1 ATOM 5083 H2 TIP3 892 17.484 -27.800 -8.393 0.00 0.00 WAT1 ATOM 5084 OH2 TIP3 893 13.854 -13.481 -3.379 0.00 0.00 WAT1 ATOM 5085 H1 TIP3 893 14.507 -13.828 -3.987 0.00 0.00 WAT1 ATOM 5086 H2 TIP3 893 14.365 -12.992 -2.733 0.00 0.00 WAT1 ATOM 5087 OH2 TIP3 894 1.595 -12.321 3.470 0.00 0.00 WAT1 ATOM 5088 H1 TIP3 894 0.875 -11.881 3.019 0.00 0.00 WAT1 ATOM 5089 H2 TIP3 894 1.229 -12.572 4.319 0.00 0.00 WAT1 ATOM 5090 OH2 TIP3 895 0.261 -14.474 -6.448 0.00 0.00 WAT1 ATOM 5091 H1 TIP3 895 -0.424 -14.512 -7.116 0.00 0.00 WAT1 ATOM 5092 H2 TIP3 895 0.264 -13.561 -6.160 0.00 0.00 WAT1 ATOM 5093 OH2 TIP3 896 9.125 -13.264 -8.051 0.00 0.00 WAT1 ATOM 5094 H1 TIP3 896 9.991 -12.898 -8.229 0.00 0.00 WAT1 ATOM 5095 H2 TIP3 896 8.878 -13.704 -8.864 0.00 0.00 WAT1 ATOM 5096 OH2 TIP3 897 15.834 -13.701 -5.371 0.00 0.00 WAT1 ATOM 5097 H1 TIP3 897 15.640 -14.449 -5.936 0.00 0.00 WAT1 ATOM 5098 H2 TIP3 897 15.795 -12.943 -5.955 0.00 0.00 WAT1 ATOM 5099 OH2 TIP3 898 2.079 -13.554 -9.423 0.00 0.00 WAT1 ATOM 5100 H1 TIP3 898 1.811 -13.267 -8.550 0.00 0.00 WAT1 ATOM 5101 H2 TIP3 898 2.850 -14.100 -9.271 0.00 0.00 WAT1 ATOM 5102 OH2 TIP3 899 10.602 -21.064 15.665 0.00 0.00 WAT1 ATOM 5103 H1 TIP3 899 10.691 -20.120 15.533 0.00 0.00 WAT1 ATOM 5104 H2 TIP3 899 9.963 -21.339 15.007 0.00 0.00 WAT1 ATOM 5105 OH2 TIP3 900 13.241 -18.870 17.386 0.00 0.00 WAT1 ATOM 5106 H1 TIP3 900 12.800 -19.590 17.836 0.00 0.00 WAT1 ATOM 5107 H2 TIP3 900 13.228 -18.149 18.016 0.00 0.00 WAT1 ATOM 5108 OH2 TIP3 901 7.924 -19.376 19.490 0.00 0.00 WAT1 ATOM 5109 H1 TIP3 901 8.228 -20.062 18.896 0.00 0.00 WAT1 ATOM 5110 H2 TIP3 901 8.646 -19.258 20.108 0.00 0.00 WAT1 ATOM 5111 OH2 TIP3 902 16.979 -26.297 22.587 0.00 0.00 WAT1 ATOM 5112 H1 TIP3 902 16.290 -25.639 22.492 0.00 0.00 WAT1 ATOM 5113 H2 TIP3 902 16.994 -26.494 23.524 0.00 0.00 WAT1 ATOM 5114 OH2 TIP3 903 10.399 -18.463 14.708 0.00 0.00 WAT1 ATOM 5115 H1 TIP3 903 10.103 -18.785 13.857 0.00 0.00 WAT1 ATOM 5116 H2 TIP3 903 10.075 -17.563 14.750 0.00 0.00 WAT1 ATOM 5117 OH2 TIP3 904 5.599 -20.287 21.452 0.00 0.00 WAT1 ATOM 5118 H1 TIP3 904 4.859 -19.689 21.555 0.00 0.00 WAT1 ATOM 5119 H2 TIP3 904 6.313 -19.733 21.136 0.00 0.00 WAT1 ATOM 5120 OH2 TIP3 905 4.007 -18.323 22.239 0.00 0.00 WAT1 ATOM 5121 H1 TIP3 905 4.001 -17.444 21.861 0.00 0.00 WAT1 ATOM 5122 H2 TIP3 905 3.153 -18.406 22.664 0.00 0.00 WAT1 ATOM 5123 OH2 TIP3 906 12.005 -15.249 16.359 0.00 0.00 WAT1 ATOM 5124 H1 TIP3 906 12.430 -15.956 15.874 0.00 0.00 WAT1 ATOM 5125 H2 TIP3 906 12.322 -14.448 15.942 0.00 0.00 WAT1 ATOM 5126 OH2 TIP3 907 13.164 -17.348 14.868 0.00 0.00 WAT1 ATOM 5127 H1 TIP3 907 12.907 -18.038 14.256 0.00 0.00 WAT1 ATOM 5128 H2 TIP3 907 13.235 -17.791 15.713 0.00 0.00 WAT1 ATOM 5129 OH2 TIP3 908 9.323 -21.820 13.117 0.00 0.00 WAT1 ATOM 5130 H1 TIP3 908 8.611 -21.285 12.766 0.00 0.00 WAT1 ATOM 5131 H2 TIP3 908 10.014 -21.764 12.457 0.00 0.00 WAT1 ATOM 5132 OH2 TIP3 909 16.692 -22.442 21.411 0.00 0.00 WAT1 ATOM 5133 H1 TIP3 909 16.040 -21.747 21.500 0.00 0.00 WAT1 ATOM 5134 H2 TIP3 909 17.157 -22.232 20.601 0.00 0.00 WAT1 ATOM 5135 OH2 TIP3 910 12.729 -21.610 14.069 0.00 0.00 WAT1 ATOM 5136 H1 TIP3 910 11.997 -21.382 14.642 0.00 0.00 WAT1 ATOM 5137 H2 TIP3 910 13.176 -22.324 14.524 0.00 0.00 WAT1 ATOM 5138 OH2 TIP3 911 12.626 -23.436 23.137 0.00 0.00 WAT1 ATOM 5139 H1 TIP3 911 12.706 -22.673 23.709 0.00 0.00 WAT1 ATOM 5140 H2 TIP3 911 12.025 -23.157 22.446 0.00 0.00 WAT1 ATOM 5141 OH2 TIP3 912 5.621 -17.812 24.302 0.00 0.00 WAT1 ATOM 5142 H1 TIP3 912 5.309 -17.030 24.758 0.00 0.00 WAT1 ATOM 5143 H2 TIP3 912 4.971 -17.965 23.616 0.00 0.00 WAT1 ATOM 5144 OH2 TIP3 913 2.541 -21.614 23.531 0.00 0.00 WAT1 ATOM 5145 H1 TIP3 913 2.611 -20.963 24.229 0.00 0.00 WAT1 ATOM 5146 H2 TIP3 913 1.650 -21.511 23.196 0.00 0.00 WAT1 ATOM 5147 OH2 TIP3 914 9.326 -15.711 15.189 0.00 0.00 WAT1 ATOM 5148 H1 TIP3 914 9.800 -15.416 15.967 0.00 0.00 WAT1 ATOM 5149 H2 TIP3 914 8.763 -14.973 14.956 0.00 0.00 WAT1 ATOM 5150 OH2 TIP3 915 3.860 -15.740 25.066 0.00 0.00 WAT1 ATOM 5151 H1 TIP3 915 3.868 -15.876 24.118 0.00 0.00 WAT1 ATOM 5152 H2 TIP3 915 2.944 -15.858 25.318 0.00 0.00 WAT1 ATOM 5153 OH2 TIP3 916 -0.543 -19.547 22.356 0.00 0.00 WAT1 ATOM 5154 H1 TIP3 916 -1.044 -19.575 21.541 0.00 0.00 WAT1 ATOM 5155 H2 TIP3 916 -0.537 -20.453 22.666 0.00 0.00 WAT1 ATOM 5156 OH2 TIP3 917 11.900 -13.601 10.607 0.00 0.00 WAT1 ATOM 5157 H1 TIP3 917 12.275 -14.345 10.136 0.00 0.00 WAT1 ATOM 5158 H2 TIP3 917 11.904 -13.871 11.525 0.00 0.00 WAT1 ATOM 5159 OH2 TIP3 918 11.569 -13.675 13.356 0.00 0.00 WAT1 ATOM 5160 H1 TIP3 918 10.634 -13.575 13.535 0.00 0.00 WAT1 ATOM 5161 H2 TIP3 918 11.849 -14.384 13.934 0.00 0.00 WAT1 ATOM 5162 OH2 TIP3 919 14.557 -24.608 25.402 0.00 0.00 WAT1 ATOM 5163 H1 TIP3 919 14.150 -24.127 24.682 0.00 0.00 WAT1 ATOM 5164 H2 TIP3 919 14.598 -25.513 25.095 0.00 0.00 WAT1 ATOM 5165 OH2 TIP3 920 1.706 -18.224 23.399 0.00 0.00 WAT1 ATOM 5166 H1 TIP3 920 1.923 -18.585 24.259 0.00 0.00 WAT1 ATOM 5167 H2 TIP3 920 0.851 -18.598 23.189 0.00 0.00 WAT1 ATOM 5168 OH2 TIP3 921 8.988 -30.032 22.769 0.00 0.00 WAT1 ATOM 5169 H1 TIP3 921 9.408 -30.447 23.522 0.00 0.00 WAT1 ATOM 5170 H2 TIP3 921 8.055 -30.210 22.886 0.00 0.00 WAT1 ATOM 5171 OH2 TIP3 922 12.314 -26.276 23.623 0.00 0.00 WAT1 ATOM 5172 H1 TIP3 922 11.800 -26.402 24.420 0.00 0.00 WAT1 ATOM 5173 H2 TIP3 922 12.159 -25.364 23.378 0.00 0.00 WAT1 ATOM 5174 OH2 TIP3 923 9.051 -23.976 25.707 0.00 0.00 WAT1 ATOM 5175 H1 TIP3 923 8.488 -24.680 26.027 0.00 0.00 WAT1 ATOM 5176 H2 TIP3 923 9.877 -24.096 26.174 0.00 0.00 WAT1 ATOM 5177 OH2 TIP3 924 10.217 -23.067 21.704 0.00 0.00 WAT1 ATOM 5178 H1 TIP3 924 10.541 -23.698 21.061 0.00 0.00 WAT1 ATOM 5179 H2 TIP3 924 9.777 -23.602 22.365 0.00 0.00 WAT1 ATOM 5180 OH2 TIP3 925 2.285 -19.759 25.637 0.00 0.00 WAT1 ATOM 5181 H1 TIP3 925 3.018 -19.505 26.198 0.00 0.00 WAT1 ATOM 5182 H2 TIP3 925 1.505 -19.555 26.152 0.00 0.00 WAT1 ATOM 5183 OH2 TIP3 926 7.485 -19.751 12.474 0.00 0.00 WAT1 ATOM 5184 H1 TIP3 926 6.741 -20.258 12.151 0.00 0.00 WAT1 ATOM 5185 H2 TIP3 926 7.351 -19.702 13.420 0.00 0.00 WAT1 ATOM 5186 OH2 TIP3 927 9.005 -19.567 23.711 0.00 0.00 WAT1 ATOM 5187 H1 TIP3 927 8.659 -19.948 24.517 0.00 0.00 WAT1 ATOM 5188 H2 TIP3 927 8.805 -18.633 23.782 0.00 0.00 WAT1 ATOM 5189 OH2 TIP3 928 -0.382 -21.995 23.558 0.00 0.00 WAT1 ATOM 5190 H1 TIP3 928 -0.159 -22.413 24.390 0.00 0.00 WAT1 ATOM 5191 H2 TIP3 928 -0.984 -22.608 23.136 0.00 0.00 WAT1 ATOM 5192 OH2 TIP3 929 6.635 -22.478 25.771 0.00 0.00 WAT1 ATOM 5193 H1 TIP3 929 6.339 -22.644 24.876 0.00 0.00 WAT1 ATOM 5194 H2 TIP3 929 7.566 -22.698 25.761 0.00 0.00 WAT1 ATOM 5195 OH2 TIP3 930 15.282 -16.074 12.493 0.00 0.00 WAT1 ATOM 5196 H1 TIP3 930 14.909 -16.900 12.803 0.00 0.00 WAT1 ATOM 5197 H2 TIP3 930 15.559 -16.257 11.596 0.00 0.00 WAT1 ATOM 5198 OH2 TIP3 931 12.442 -21.266 19.515 0.00 0.00 WAT1 ATOM 5199 H1 TIP3 931 11.514 -21.498 19.488 0.00 0.00 WAT1 ATOM 5200 H2 TIP3 931 12.893 -22.043 19.185 0.00 0.00 WAT1 ATOM 5201 OH2 TIP3 932 4.985 -16.938 15.648 0.00 0.00 WAT1 ATOM 5202 H1 TIP3 932 5.512 -16.165 15.447 0.00 0.00 WAT1 ATOM 5203 H2 TIP3 932 4.105 -16.713 15.346 0.00 0.00 WAT1 ATOM 5204 OH2 TIP3 933 6.412 -19.275 15.224 0.00 0.00 WAT1 ATOM 5205 H1 TIP3 933 6.171 -18.350 15.266 0.00 0.00 WAT1 ATOM 5206 H2 TIP3 933 5.672 -19.734 15.620 0.00 0.00 WAT1 ATOM 5207 OH2 TIP3 934 6.927 -15.126 21.539 0.00 0.00 WAT1 ATOM 5208 H1 TIP3 934 7.290 -14.271 21.306 0.00 0.00 WAT1 ATOM 5209 H2 TIP3 934 7.459 -15.418 22.280 0.00 0.00 WAT1 ATOM 5210 OH2 TIP3 935 5.096 -14.253 14.769 0.00 0.00 WAT1 ATOM 5211 H1 TIP3 935 4.146 -14.148 14.821 0.00 0.00 WAT1 ATOM 5212 H2 TIP3 935 5.447 -13.433 15.114 0.00 0.00 WAT1 ATOM 5213 OH2 TIP3 936 10.471 -19.027 21.240 0.00 0.00 WAT1 ATOM 5214 H1 TIP3 936 10.045 -19.254 22.066 0.00 0.00 WAT1 ATOM 5215 H2 TIP3 936 11.052 -19.765 21.057 0.00 0.00 WAT1 ATOM 5216 OH2 TIP3 937 17.178 -13.618 10.515 0.00 0.00 WAT1 ATOM 5217 H1 TIP3 937 17.921 -13.032 10.375 0.00 0.00 WAT1 ATOM 5218 H2 TIP3 937 16.483 -13.050 10.848 0.00 0.00 WAT1 ATOM 5219 OH2 TIP3 938 6.765 -16.986 8.761 0.00 0.00 WAT1 ATOM 5220 H1 TIP3 938 7.004 -17.734 8.213 0.00 0.00 WAT1 ATOM 5221 H2 TIP3 938 6.496 -17.374 9.593 0.00 0.00 WAT1 ATOM 5222 OH2 TIP3 939 5.702 -17.416 11.217 0.00 0.00 WAT1 ATOM 5223 H1 TIP3 939 5.849 -17.936 12.007 0.00 0.00 WAT1 ATOM 5224 H2 TIP3 939 5.699 -16.509 11.523 0.00 0.00 WAT1 ATOM 5225 OH2 TIP3 940 2.155 -20.163 11.727 0.00 0.00 WAT1 ATOM 5226 H1 TIP3 940 1.469 -19.811 12.294 0.00 0.00 WAT1 ATOM 5227 H2 TIP3 940 2.678 -19.400 11.481 0.00 0.00 WAT1 ATOM 5228 OH2 TIP3 941 8.440 -15.718 11.966 0.00 0.00 WAT1 ATOM 5229 H1 TIP3 941 7.623 -15.221 12.019 0.00 0.00 WAT1 ATOM 5230 H2 TIP3 941 8.969 -15.243 11.326 0.00 0.00 WAT1 ATOM 5231 OH2 TIP3 942 8.507 -25.135 23.123 0.00 0.00 WAT1 ATOM 5232 H1 TIP3 942 8.626 -24.561 23.880 0.00 0.00 WAT1 ATOM 5233 H2 TIP3 942 9.162 -25.823 23.238 0.00 0.00 WAT1 ATOM 5234 OH2 TIP3 943 5.778 -14.675 11.948 0.00 0.00 WAT1 ATOM 5235 H1 TIP3 943 5.939 -13.875 11.447 0.00 0.00 WAT1 ATOM 5236 H2 TIP3 943 5.581 -14.368 12.833 0.00 0.00 WAT1 ATOM 5237 OH2 TIP3 944 13.313 -23.477 18.054 0.00 0.00 WAT1 ATOM 5238 H1 TIP3 944 12.516 -23.892 17.725 0.00 0.00 WAT1 ATOM 5239 H2 TIP3 944 13.758 -24.168 18.545 0.00 0.00 WAT1 ATOM 5240 OH2 TIP3 945 2.771 -17.549 10.624 0.00 0.00 WAT1 ATOM 5241 H1 TIP3 945 3.363 -16.850 10.900 0.00 0.00 WAT1 ATOM 5242 H2 TIP3 945 3.230 -17.982 9.905 0.00 0.00 WAT1 ATOM 5243 OH2 TIP3 946 0.114 -13.550 25.904 0.00 0.00 WAT1 ATOM 5244 H1 TIP3 946 0.654 -13.767 26.663 0.00 0.00 WAT1 ATOM 5245 H2 TIP3 946 -0.367 -14.356 25.714 0.00 0.00 WAT1 ATOM 5246 OH2 TIP3 947 8.803 -15.123 8.899 0.00 0.00 WAT1 ATOM 5247 H1 TIP3 947 8.159 -15.754 9.221 0.00 0.00 WAT1 ATOM 5248 H2 TIP3 947 9.565 -15.654 8.667 0.00 0.00 WAT1 ATOM 5249 OH2 TIP3 948 0.021 -19.740 26.858 0.00 0.00 WAT1 ATOM 5250 H1 TIP3 948 0.165 -20.642 26.572 0.00 0.00 WAT1 ATOM 5251 H2 TIP3 948 -0.752 -19.454 26.370 0.00 0.00 WAT1 ATOM 5252 OH2 TIP3 949 4.362 -19.396 8.990 0.00 0.00 WAT1 ATOM 5253 H1 TIP3 949 4.426 -20.190 9.521 0.00 0.00 WAT1 ATOM 5254 H2 TIP3 949 5.015 -19.515 8.301 0.00 0.00 WAT1 ATOM 5255 OH2 TIP3 950 0.853 -22.540 26.278 0.00 0.00 WAT1 ATOM 5256 H1 TIP3 950 1.261 -23.397 26.157 0.00 0.00 WAT1 ATOM 5257 H2 TIP3 950 0.593 -22.525 27.199 0.00 0.00 WAT1 ATOM 5258 OH2 TIP3 951 5.511 -21.424 11.296 0.00 0.00 WAT1 ATOM 5259 H1 TIP3 951 5.052 -21.908 11.982 0.00 0.00 WAT1 ATOM 5260 H2 TIP3 951 5.766 -22.092 10.660 0.00 0.00 WAT1 ATOM 5261 OH2 TIP3 952 4.800 -23.531 23.652 0.00 0.00 WAT1 ATOM 5262 H1 TIP3 952 4.182 -22.856 23.933 0.00 0.00 WAT1 ATOM 5263 H2 TIP3 952 5.144 -23.210 22.819 0.00 0.00 WAT1 ATOM 5264 OH2 TIP3 953 5.140 -26.176 24.735 0.00 0.00 WAT1 ATOM 5265 H1 TIP3 953 5.290 -26.905 24.132 0.00 0.00 WAT1 ATOM 5266 H2 TIP3 953 5.142 -25.399 24.176 0.00 0.00 WAT1 ATOM 5267 OH2 TIP3 954 7.134 -22.367 22.467 0.00 0.00 WAT1 ATOM 5268 H1 TIP3 954 7.885 -22.523 21.894 0.00 0.00 WAT1 ATOM 5269 H2 TIP3 954 6.795 -21.515 22.191 0.00 0.00 WAT1 ATOM 5270 OH2 TIP3 955 3.618 -24.978 26.646 0.00 0.00 WAT1 ATOM 5271 H1 TIP3 955 2.851 -25.510 26.436 0.00 0.00 WAT1 ATOM 5272 H2 TIP3 955 4.297 -25.288 26.047 0.00 0.00 WAT1 ATOM 5273 OH2 TIP3 956 7.622 -26.028 26.222 0.00 0.00 WAT1 ATOM 5274 H1 TIP3 956 7.386 -26.248 27.124 0.00 0.00 WAT1 ATOM 5275 H2 TIP3 956 6.839 -26.235 25.713 0.00 0.00 WAT1 ATOM 5276 OH2 TIP3 957 10.338 -26.901 25.298 0.00 0.00 WAT1 ATOM 5277 H1 TIP3 957 9.390 -26.869 25.430 0.00 0.00 WAT1 ATOM 5278 H2 TIP3 957 10.650 -27.526 25.952 0.00 0.00 WAT1 ATOM 5279 OH2 TIP3 958 11.972 -28.267 27.303 0.00 0.00 WAT1 ATOM 5280 H1 TIP3 958 11.875 -29.219 27.297 0.00 0.00 WAT1 ATOM 5281 H2 TIP3 958 11.650 -27.998 28.164 0.00 0.00 WAT1 ATOM 5282 OH2 TIP3 959 1.799 -27.057 26.351 0.00 0.00 WAT1 ATOM 5283 H1 TIP3 959 2.010 -27.764 25.740 0.00 0.00 WAT1 ATOM 5284 H2 TIP3 959 1.687 -27.495 27.195 0.00 0.00 WAT1 ATOM 5285 OH2 TIP3 960 6.580 -31.056 25.330 0.00 0.00 WAT1 ATOM 5286 H1 TIP3 960 7.292 -31.696 25.316 0.00 0.00 WAT1 ATOM 5287 H2 TIP3 960 6.479 -30.789 24.416 0.00 0.00 WAT1 ATOM 5288 OH2 TIP3 961 6.933 -29.373 27.384 0.00 0.00 WAT1 ATOM 5289 H1 TIP3 961 6.802 -29.849 26.563 0.00 0.00 WAT1 ATOM 5290 H2 TIP3 961 6.334 -28.629 27.328 0.00 0.00 WAT1 ATOM 5291 OH2 TIP3 962 6.480 -12.490 10.560 0.00 0.00 WAT1 ATOM 5292 H1 TIP3 962 7.413 -12.332 10.704 0.00 0.00 WAT1 ATOM 5293 H2 TIP3 962 6.216 -11.815 9.935 0.00 0.00 WAT1 ATOM 5294 OH2 TIP3 963 0.048 -17.854 10.043 0.00 0.00 WAT1 ATOM 5295 H1 TIP3 963 0.962 -17.775 10.316 0.00 0.00 WAT1 ATOM 5296 H2 TIP3 963 0.055 -18.541 9.376 0.00 0.00 WAT1 ATOM 5297 OH2 TIP3 964 16.431 -19.957 12.979 0.00 0.00 WAT1 ATOM 5298 H1 TIP3 964 17.281 -19.536 13.107 0.00 0.00 WAT1 ATOM 5299 H2 TIP3 964 16.436 -20.697 13.587 0.00 0.00 WAT1 ATOM 5300 OH2 TIP3 965 16.825 -21.904 14.803 0.00 0.00 WAT1 ATOM 5301 H1 TIP3 965 16.099 -22.383 15.201 0.00 0.00 WAT1 ATOM 5302 H2 TIP3 965 17.406 -21.698 15.535 0.00 0.00 WAT1 ATOM 5303 OH2 TIP3 966 14.612 -23.383 15.366 0.00 0.00 WAT1 ATOM 5304 H1 TIP3 966 14.462 -24.328 15.346 0.00 0.00 WAT1 ATOM 5305 H2 TIP3 966 14.258 -23.102 16.210 0.00 0.00 WAT1 ATOM 5306 OH2 TIP3 967 14.934 -25.219 19.264 0.00 0.00 WAT1 ATOM 5307 H1 TIP3 967 15.867 -25.007 19.230 0.00 0.00 WAT1 ATOM 5308 H2 TIP3 967 14.699 -25.117 20.187 0.00 0.00 WAT1 ATOM 5309 OH2 TIP3 968 14.963 -24.482 22.040 0.00 0.00 WAT1 ATOM 5310 H1 TIP3 968 14.120 -24.214 22.406 0.00 0.00 WAT1 ATOM 5311 H2 TIP3 968 15.406 -23.660 21.829 0.00 0.00 WAT1 ATOM 5312 OH2 TIP3 969 17.246 -30.502 27.394 0.00 0.00 WAT1 ATOM 5313 H1 TIP3 969 17.596 -31.156 26.788 0.00 0.00 WAT1 ATOM 5314 H2 TIP3 969 17.393 -29.665 26.954 0.00 0.00 WAT1 ATOM 5315 OH2 TIP3 970 16.766 -28.393 25.743 0.00 0.00 WAT1 ATOM 5316 H1 TIP3 970 15.849 -28.122 25.707 0.00 0.00 WAT1 ATOM 5317 H2 TIP3 970 16.889 -28.928 24.959 0.00 0.00 WAT1 ATOM 5318 OH2 TIP3 971 1.239 -16.552 26.020 0.00 0.00 WAT1 ATOM 5319 H1 TIP3 971 0.418 -16.377 25.560 0.00 0.00 WAT1 ATOM 5320 H2 TIP3 971 0.987 -16.625 26.941 0.00 0.00 WAT1 ATOM 5321 OH2 TIP3 972 4.193 -15.577 22.279 0.00 0.00 WAT1 ATOM 5322 H1 TIP3 972 3.768 -14.768 21.996 0.00 0.00 WAT1 ATOM 5323 H2 TIP3 972 5.098 -15.492 21.977 0.00 0.00 WAT1 ATOM 5324 OH2 TIP3 973 8.773 -12.833 20.532 0.00 0.00 WAT1 ATOM 5325 H1 TIP3 973 8.316 -12.304 19.878 0.00 0.00 WAT1 ATOM 5326 H2 TIP3 973 8.936 -12.230 21.257 0.00 0.00 WAT1 ATOM 5327 OH2 TIP3 974 5.688 -14.518 18.740 0.00 0.00 WAT1 ATOM 5328 H1 TIP3 974 5.901 -15.406 18.453 0.00 0.00 WAT1 ATOM 5329 H2 TIP3 974 5.753 -14.552 19.695 0.00 0.00 WAT1 ATOM 5330 OH2 TIP3 975 9.125 -13.264 10.805 0.00 0.00 WAT1 ATOM 5331 H1 TIP3 975 9.991 -12.898 10.627 0.00 0.00 WAT1 ATOM 5332 H2 TIP3 975 8.878 -13.704 9.992 0.00 0.00 WAT1 ATOM 5333 OH2 TIP3 976 15.834 -13.701 13.485 0.00 0.00 WAT1 ATOM 5334 H1 TIP3 976 15.640 -14.449 12.920 0.00 0.00 WAT1 ATOM 5335 H2 TIP3 976 15.795 -12.943 12.901 0.00 0.00 WAT1 ATOM 5336 OH2 TIP3 977 1.481 -29.706 25.224 0.00 0.00 WAT1 ATOM 5337 H1 TIP3 977 1.115 -30.471 25.667 0.00 0.00 WAT1 ATOM 5338 H2 TIP3 977 2.394 -29.677 25.511 0.00 0.00 WAT1 ATOM 5339 OH2 TIP3 978 3.454 -30.355 26.760 0.00 0.00 WAT1 ATOM 5340 H1 TIP3 978 4.353 -30.629 26.575 0.00 0.00 WAT1 ATOM 5341 H2 TIP3 978 3.068 -31.098 27.224 0.00 0.00 WAT1 ATOM 5342 OH2 TIP3 979 2.079 -13.554 9.433 0.00 0.00 WAT1 ATOM 5343 H1 TIP3 979 1.811 -13.267 10.306 0.00 0.00 WAT1 ATOM 5344 H2 TIP3 979 2.850 -14.100 9.585 0.00 0.00 WAT1 ATOM 5345 OH2 TIP3 980 11.876 -31.023 26.942 0.00 0.00 WAT1 ATOM 5346 H1 TIP3 980 11.952 -31.449 27.796 0.00 0.00 WAT1 ATOM 5347 H2 TIP3 980 12.769 -31.009 26.600 0.00 0.00 WAT1 ATOM 5348 OH2 TIP3 981 1.087 -24.885 28.596 0.00 0.00 WAT1 ATOM 5349 H1 TIP3 981 1.042 -23.946 28.775 0.00 0.00 WAT1 ATOM 5350 H2 TIP3 981 0.199 -25.121 28.326 0.00 0.00 WAT1 ATOM 5351 OH2 TIP3 982 14.690 -27.355 27.718 0.00 0.00 WAT1 ATOM 5352 H1 TIP3 982 15.300 -27.727 28.355 0.00 0.00 WAT1 ATOM 5353 H2 TIP3 982 13.853 -27.777 27.914 0.00 0.00 WAT1 ATOM 5354 OH2 TIP3 983 2.221 -28.506 28.809 0.00 0.00 WAT1 ATOM 5355 H1 TIP3 983 2.712 -29.136 28.281 0.00 0.00 WAT1 ATOM 5356 H2 TIP3 983 2.844 -28.210 29.472 0.00 0.00 WAT1 ATOM 5357 OH2 TIP3 984 16.587 -8.919 1.495 0.00 0.00 WAT1 ATOM 5358 H1 TIP3 984 16.636 -8.309 2.231 0.00 0.00 WAT1 ATOM 5359 H2 TIP3 984 17.013 -8.458 0.772 0.00 0.00 WAT1 ATOM 5360 OH2 TIP3 985 11.065 -6.126 0.962 0.00 0.00 WAT1 ATOM 5361 H1 TIP3 985 11.208 -7.073 0.982 0.00 0.00 WAT1 ATOM 5362 H2 TIP3 985 10.959 -5.919 0.033 0.00 0.00 WAT1 ATOM 5363 OH2 TIP3 986 4.220 -8.025 -1.766 0.00 0.00 WAT1 ATOM 5364 H1 TIP3 986 4.263 -7.165 -2.184 0.00 0.00 WAT1 ATOM 5365 H2 TIP3 986 3.762 -8.577 -2.399 0.00 0.00 WAT1 ATOM 5366 OH2 TIP3 987 11.942 -7.894 -3.365 0.00 0.00 WAT1 ATOM 5367 H1 TIP3 987 12.588 -8.223 -2.740 0.00 0.00 WAT1 ATOM 5368 H2 TIP3 987 12.452 -7.376 -3.988 0.00 0.00 WAT1 ATOM 5369 OH2 TIP3 988 3.030 -9.107 2.308 0.00 0.00 WAT1 ATOM 5370 H1 TIP3 988 2.811 -8.577 1.542 0.00 0.00 WAT1 ATOM 5371 H2 TIP3 988 2.362 -8.880 2.956 0.00 0.00 WAT1 ATOM 5372 OH2 TIP3 989 13.706 -8.603 -1.384 0.00 0.00 WAT1 ATOM 5373 H1 TIP3 989 13.491 -9.369 -0.852 0.00 0.00 WAT1 ATOM 5374 H2 TIP3 989 14.362 -8.131 -0.871 0.00 0.00 WAT1 ATOM 5375 OH2 TIP3 990 14.053 -9.888 2.295 0.00 0.00 WAT1 ATOM 5376 H1 TIP3 990 13.317 -9.277 2.257 0.00 0.00 WAT1 ATOM 5377 H2 TIP3 990 14.737 -9.473 1.769 0.00 0.00 WAT1 ATOM 5378 OH2 TIP3 991 4.325 -10.898 0.539 0.00 0.00 WAT1 ATOM 5379 H1 TIP3 991 3.464 -10.985 0.131 0.00 0.00 WAT1 ATOM 5380 H2 TIP3 991 4.303 -10.042 0.966 0.00 0.00 WAT1 ATOM 5381 OH2 TIP3 992 8.988 -11.176 3.913 0.00 0.00 WAT1 ATOM 5382 H1 TIP3 992 9.408 -11.591 4.666 0.00 0.00 WAT1 ATOM 5383 H2 TIP3 992 8.055 -11.354 4.030 0.00 0.00 WAT1 ATOM 5384 OH2 TIP3 993 10.953 -5.849 -1.823 0.00 0.00 WAT1 ATOM 5385 H1 TIP3 993 10.758 -5.244 -2.538 0.00 0.00 WAT1 ATOM 5386 H2 TIP3 993 11.135 -6.683 -2.258 0.00 0.00 WAT1 ATOM 5387 OH2 TIP3 994 -1.226 -8.496 -2.649 0.00 0.00 WAT1 ATOM 5388 H1 TIP3 994 -0.595 -8.525 -1.929 0.00 0.00 WAT1 ATOM 5389 H2 TIP3 994 -0.776 -8.921 -3.379 0.00 0.00 WAT1 ATOM 5390 OH2 TIP3 995 6.995 -8.284 -2.368 0.00 0.00 WAT1 ATOM 5391 H1 TIP3 995 6.084 -8.227 -2.079 0.00 0.00 WAT1 ATOM 5392 H2 TIP3 995 7.500 -8.344 -1.557 0.00 0.00 WAT1 ATOM 5393 OH2 TIP3 996 5.476 -6.655 -5.885 0.00 0.00 WAT1 ATOM 5394 H1 TIP3 996 6.408 -6.526 -5.707 0.00 0.00 WAT1 ATOM 5395 H2 TIP3 996 5.261 -5.985 -6.534 0.00 0.00 WAT1 ATOM 5396 OH2 TIP3 997 11.400 -9.049 0.896 0.00 0.00 WAT1 ATOM 5397 H1 TIP3 997 10.723 -8.918 1.560 0.00 0.00 WAT1 ATOM 5398 H2 TIP3 997 10.914 -9.204 0.086 0.00 0.00 WAT1 ATOM 5399 OH2 TIP3 998 8.315 -5.496 -0.481 0.00 0.00 WAT1 ATOM 5400 H1 TIP3 998 8.879 -6.043 -1.028 0.00 0.00 WAT1 ATOM 5401 H2 TIP3 998 8.167 -6.018 0.308 0.00 0.00 WAT1 ATOM 5402 OH2 TIP3 999 3.317 -9.360 -4.063 0.00 0.00 WAT1 ATOM 5403 H1 TIP3 999 3.000 -10.262 -4.098 0.00 0.00 WAT1 ATOM 5404 H2 TIP3 999 4.098 -9.358 -4.615 0.00 0.00 WAT1 ATOM 5405 OH2 TIP3 1000 6.941 -7.108 1.933 0.00 0.00 WAT1 ATOM 5406 H1 TIP3 1000 6.106 -6.654 2.043 0.00 0.00 WAT1 ATOM 5407 H2 TIP3 1000 7.465 -6.832 2.685 0.00 0.00 WAT1 ATOM 5408 OH2 TIP3 1001 1.252 -8.386 4.260 0.00 0.00 WAT1 ATOM 5409 H1 TIP3 1001 0.359 -8.047 4.193 0.00 0.00 WAT1 ATOM 5410 H2 TIP3 1001 1.153 -9.241 4.678 0.00 0.00 WAT1 ATOM 5411 OH2 TIP3 1002 9.987 -8.645 3.150 0.00 0.00 WAT1 ATOM 5412 H1 TIP3 1002 10.685 -8.571 3.800 0.00 0.00 WAT1 ATOM 5413 H2 TIP3 1002 9.606 -9.509 3.305 0.00 0.00 WAT1 ATOM 5414 OH2 TIP3 1003 10.771 -8.993 -5.753 0.00 0.00 WAT1 ATOM 5415 H1 TIP3 1003 10.991 -8.521 -6.556 0.00 0.00 WAT1 ATOM 5416 H2 TIP3 1003 11.329 -8.598 -5.082 0.00 0.00 WAT1 ATOM 5417 OH2 TIP3 1004 7.971 -7.265 -4.918 0.00 0.00 WAT1 ATOM 5418 H1 TIP3 1004 8.783 -6.761 -4.872 0.00 0.00 WAT1 ATOM 5419 H2 TIP3 1004 7.726 -7.410 -4.004 0.00 0.00 WAT1 ATOM 5420 OH2 TIP3 1005 4.512 -9.121 -7.292 0.00 0.00 WAT1 ATOM 5421 H1 TIP3 1005 4.429 -8.232 -6.946 0.00 0.00 WAT1 ATOM 5422 H2 TIP3 1005 5.402 -9.386 -7.061 0.00 0.00 WAT1 ATOM 5423 OH2 TIP3 1006 14.711 -8.372 5.102 0.00 0.00 WAT1 ATOM 5424 H1 TIP3 1006 13.795 -8.109 5.014 0.00 0.00 WAT1 ATOM 5425 H2 TIP3 1006 15.047 -8.375 4.205 0.00 0.00 WAT1 ATOM 5426 OH2 TIP3 1007 1.895 -11.247 -0.443 0.00 0.00 WAT1 ATOM 5427 H1 TIP3 1007 1.666 -11.188 -1.370 0.00 0.00 WAT1 ATOM 5428 H2 TIP3 1007 1.452 -12.039 -0.136 0.00 0.00 WAT1 ATOM 5429 OH2 TIP3 1008 0.853 -3.684 7.422 0.00 0.00 WAT1 ATOM 5430 H1 TIP3 1008 1.261 -4.541 7.301 0.00 0.00 WAT1 ATOM 5431 H2 TIP3 1008 0.593 -3.669 8.343 0.00 0.00 WAT1 ATOM 5432 OH2 TIP3 1009 5.552 -8.950 3.371 0.00 0.00 WAT1 ATOM 5433 H1 TIP3 1009 6.088 -8.499 2.719 0.00 0.00 WAT1 ATOM 5434 H2 TIP3 1009 4.700 -9.058 2.949 0.00 0.00 WAT1 ATOM 5435 OH2 TIP3 1010 3.618 -6.122 7.790 0.00 0.00 WAT1 ATOM 5436 H1 TIP3 1010 2.851 -6.654 7.580 0.00 0.00 WAT1 ATOM 5437 H2 TIP3 1010 4.297 -6.432 7.191 0.00 0.00 WAT1 ATOM 5438 OH2 TIP3 1011 6.358 -11.494 3.803 0.00 0.00 WAT1 ATOM 5439 H1 TIP3 1011 6.260 -10.547 3.697 0.00 0.00 WAT1 ATOM 5440 H2 TIP3 1011 5.615 -11.866 3.327 0.00 0.00 WAT1 ATOM 5441 OH2 TIP3 1012 11.972 -9.411 8.447 0.00 0.00 WAT1 ATOM 5442 H1 TIP3 1012 11.875 -10.363 8.441 0.00 0.00 WAT1 ATOM 5443 H2 TIP3 1012 11.650 -9.142 9.308 0.00 0.00 WAT1 ATOM 5444 OH2 TIP3 1013 1.799 -8.201 7.495 0.00 0.00 WAT1 ATOM 5445 H1 TIP3 1013 2.010 -8.908 6.884 0.00 0.00 WAT1 ATOM 5446 H2 TIP3 1013 1.687 -8.639 8.339 0.00 0.00 WAT1 ATOM 5447 OH2 TIP3 1014 6.580 -12.200 6.474 0.00 0.00 WAT1 ATOM 5448 H1 TIP3 1014 7.292 -12.840 6.460 0.00 0.00 WAT1 ATOM 5449 H2 TIP3 1014 6.479 -11.933 5.560 0.00 0.00 WAT1 ATOM 5450 OH2 TIP3 1015 6.933 -10.517 8.528 0.00 0.00 WAT1 ATOM 5451 H1 TIP3 1015 6.802 -10.993 7.707 0.00 0.00 WAT1 ATOM 5452 H2 TIP3 1015 6.334 -9.773 8.472 0.00 0.00 WAT1 ATOM 5453 OH2 TIP3 1016 -0.755 -7.178 6.661 0.00 0.00 WAT1 ATOM 5454 H1 TIP3 1016 0.164 -7.300 6.897 0.00 0.00 WAT1 ATOM 5455 H2 TIP3 1016 -1.205 -7.928 7.050 0.00 0.00 WAT1 ATOM 5456 OH2 TIP3 1017 17.246 -11.646 8.538 0.00 0.00 WAT1 ATOM 5457 H1 TIP3 1017 17.596 -12.300 7.932 0.00 0.00 WAT1 ATOM 5458 H2 TIP3 1017 17.393 -10.809 8.098 0.00 0.00 WAT1 ATOM 5459 OH2 TIP3 1018 14.936 -9.681 -4.979 0.00 0.00 WAT1 ATOM 5460 H1 TIP3 1018 15.118 -10.130 -4.154 0.00 0.00 WAT1 ATOM 5461 H2 TIP3 1018 14.336 -10.266 -5.443 0.00 0.00 WAT1 ATOM 5462 OH2 TIP3 1019 0.466 -8.866 -0.448 0.00 0.00 WAT1 ATOM 5463 H1 TIP3 1019 0.911 -9.658 -0.146 0.00 0.00 WAT1 ATOM 5464 H2 TIP3 1019 0.932 -8.150 -0.017 0.00 0.00 WAT1 ATOM 5465 OH2 TIP3 1020 16.766 -9.537 6.887 0.00 0.00 WAT1 ATOM 5466 H1 TIP3 1020 15.849 -9.266 6.851 0.00 0.00 WAT1 ATOM 5467 H2 TIP3 1020 16.889 -10.072 6.103 0.00 0.00 WAT1 ATOM 5468 OH2 TIP3 1021 -0.917 -9.609 -5.324 0.00 0.00 WAT1 ATOM 5469 H1 TIP3 1021 -1.842 -9.400 -5.454 0.00 0.00 WAT1 ATOM 5470 H2 TIP3 1021 -0.463 -9.125 -6.014 0.00 0.00 WAT1 ATOM 5471 OH2 TIP3 1022 -0.953 -10.871 3.020 0.00 0.00 WAT1 ATOM 5472 H1 TIP3 1022 -1.618 -11.117 3.663 0.00 0.00 WAT1 ATOM 5473 H2 TIP3 1022 -1.396 -10.249 2.443 0.00 0.00 WAT1 ATOM 5474 OH2 TIP3 1023 15.767 -11.447 4.706 0.00 0.00 WAT1 ATOM 5475 H1 TIP3 1023 14.954 -11.122 4.318 0.00 0.00 WAT1 ATOM 5476 H2 TIP3 1023 16.000 -12.207 4.173 0.00 0.00 WAT1 ATOM 5477 OH2 TIP3 1024 14.339 -11.891 -0.859 0.00 0.00 WAT1 ATOM 5478 H1 TIP3 1024 14.943 -11.343 -1.360 0.00 0.00 WAT1 ATOM 5479 H2 TIP3 1024 13.470 -11.571 -1.099 0.00 0.00 WAT1 ATOM 5480 OH2 TIP3 1025 16.066 -10.752 -2.525 0.00 0.00 WAT1 ATOM 5481 H1 TIP3 1025 16.678 -11.266 -3.052 0.00 0.00 WAT1 ATOM 5482 H2 TIP3 1025 16.449 -9.874 -2.502 0.00 0.00 WAT1 ATOM 5483 OH2 TIP3 1026 1.523 -11.364 -3.149 0.00 0.00 WAT1 ATOM 5484 H1 TIP3 1026 0.746 -11.598 -3.657 0.00 0.00 WAT1 ATOM 5485 H2 TIP3 1026 2.054 -12.161 -3.141 0.00 0.00 WAT1 ATOM 5486 OH2 TIP3 1027 0.360 -11.566 -7.346 0.00 0.00 WAT1 ATOM 5487 H1 TIP3 1027 0.799 -10.955 -7.937 0.00 0.00 WAT1 ATOM 5488 H2 TIP3 1027 -0.274 -11.028 -6.872 0.00 0.00 WAT1 ATOM 5489 OH2 TIP3 1028 13.013 -11.381 -5.994 0.00 0.00 WAT1 ATOM 5490 H1 TIP3 1028 12.310 -10.767 -6.204 0.00 0.00 WAT1 ATOM 5491 H2 TIP3 1028 12.568 -12.219 -5.863 0.00 0.00 WAT1 ATOM 5492 OH2 TIP3 1029 7.247 -9.357 -6.446 0.00 0.00 WAT1 ATOM 5493 H1 TIP3 1029 7.425 -10.003 -5.763 0.00 0.00 WAT1 ATOM 5494 H2 TIP3 1029 7.193 -8.523 -5.979 0.00 0.00 WAT1 ATOM 5495 OH2 TIP3 1030 1.481 -10.850 6.368 0.00 0.00 WAT1 ATOM 5496 H1 TIP3 1030 1.115 -11.615 6.811 0.00 0.00 WAT1 ATOM 5497 H2 TIP3 1030 2.394 -10.821 6.655 0.00 0.00 WAT1 ATOM 5498 OH2 TIP3 1031 3.454 -11.499 7.904 0.00 0.00 WAT1 ATOM 5499 H1 TIP3 1031 4.353 -11.773 7.719 0.00 0.00 WAT1 ATOM 5500 H2 TIP3 1031 3.068 -12.242 8.368 0.00 0.00 WAT1 ATOM 5501 OH2 TIP3 1032 11.876 -12.167 8.086 0.00 0.00 WAT1 ATOM 5502 H1 TIP3 1032 11.952 -12.593 8.940 0.00 0.00 WAT1 ATOM 5503 H2 TIP3 1032 12.769 -12.153 7.744 0.00 0.00 WAT1 ATOM 5504 OH2 TIP3 1033 1.903 -3.338 20.677 0.00 0.00 WAT1 ATOM 5505 H1 TIP3 1033 1.945 -3.964 21.401 0.00 0.00 WAT1 ATOM 5506 H2 TIP3 1033 2.606 -2.715 20.859 0.00 0.00 WAT1 ATOM 5507 OH2 TIP3 1034 0.147 -3.066 16.731 0.00 0.00 WAT1 ATOM 5508 H1 TIP3 1034 0.361 -3.836 17.258 0.00 0.00 WAT1 ATOM 5509 H2 TIP3 1034 0.885 -2.977 16.128 0.00 0.00 WAT1 ATOM 5510 OH2 TIP3 1035 0.840 -5.628 17.852 0.00 0.00 WAT1 ATOM 5511 H1 TIP3 1035 1.494 -6.178 18.284 0.00 0.00 WAT1 ATOM 5512 H2 TIP3 1035 0.864 -5.902 16.936 0.00 0.00 WAT1 ATOM 5513 OH2 TIP3 1036 5.996 -4.078 17.068 0.00 0.00 WAT1 ATOM 5514 H1 TIP3 1036 6.612 -4.604 17.577 0.00 0.00 WAT1 ATOM 5515 H2 TIP3 1036 5.410 -4.718 16.664 0.00 0.00 WAT1 ATOM 5516 OH2 TIP3 1037 7.056 -11.801 18.617 0.00 0.00 WAT1 ATOM 5517 H1 TIP3 1037 6.939 -12.750 18.563 0.00 0.00 WAT1 ATOM 5518 H2 TIP3 1037 6.201 -11.469 18.890 0.00 0.00 WAT1 ATOM 5519 OH2 TIP3 1038 4.741 -3.355 19.585 0.00 0.00 WAT1 ATOM 5520 H1 TIP3 1038 5.306 -3.234 18.822 0.00 0.00 WAT1 ATOM 5521 H2 TIP3 1038 5.060 -2.718 20.224 0.00 0.00 WAT1 ATOM 5522 OH2 TIP3 1039 15.298 -11.842 11.567 0.00 0.00 WAT1 ATOM 5523 H1 TIP3 1039 14.399 -11.703 11.862 0.00 0.00 WAT1 ATOM 5524 H2 TIP3 1039 15.550 -11.011 11.165 0.00 0.00 WAT1 ATOM 5525 OH2 TIP3 1040 3.364 -3.054 13.541 0.00 0.00 WAT1 ATOM 5526 H1 TIP3 1040 3.072 -2.286 13.050 0.00 0.00 WAT1 ATOM 5527 H2 TIP3 1040 2.690 -3.714 13.378 0.00 0.00 WAT1 ATOM 5528 OH2 TIP3 1041 -0.543 -0.691 22.356 0.00 0.00 WAT1 ATOM 5529 H1 TIP3 1041 -1.044 -0.719 21.541 0.00 0.00 WAT1 ATOM 5530 H2 TIP3 1041 -0.537 -1.597 22.666 0.00 0.00 WAT1 ATOM 5531 OH2 TIP3 1042 8.988 -11.176 22.769 0.00 0.00 WAT1 ATOM 5532 H1 TIP3 1042 9.408 -11.591 23.522 0.00 0.00 WAT1 ATOM 5533 H2 TIP3 1042 8.055 -11.354 22.886 0.00 0.00 WAT1 ATOM 5534 OH2 TIP3 1043 4.416 -5.932 20.490 0.00 0.00 WAT1 ATOM 5535 H1 TIP3 1043 3.774 -5.973 21.199 0.00 0.00 WAT1 ATOM 5536 H2 TIP3 1043 4.453 -5.006 20.252 0.00 0.00 WAT1 ATOM 5537 OH2 TIP3 1044 4.413 -5.711 15.402 0.00 0.00 WAT1 ATOM 5538 H1 TIP3 1044 3.520 -6.052 15.343 0.00 0.00 WAT1 ATOM 5539 H2 TIP3 1044 4.864 -6.088 14.646 0.00 0.00 WAT1 ATOM 5540 OH2 TIP3 1045 2.166 -5.612 22.357 0.00 0.00 WAT1 ATOM 5541 H1 TIP3 1045 2.128 -5.212 23.225 0.00 0.00 WAT1 ATOM 5542 H2 TIP3 1045 1.675 -6.429 22.447 0.00 0.00 WAT1 ATOM 5543 OH2 TIP3 1046 5.532 -8.238 9.155 0.00 0.00 WAT1 ATOM 5544 H1 TIP3 1046 5.101 -8.683 9.885 0.00 0.00 WAT1 ATOM 5545 H2 TIP3 1046 4.814 -7.866 8.643 0.00 0.00 WAT1 ATOM 5546 OH2 TIP3 1047 6.995 -8.284 16.488 0.00 0.00 WAT1 ATOM 5547 H1 TIP3 1047 6.084 -8.227 16.777 0.00 0.00 WAT1 ATOM 5548 H2 TIP3 1047 7.500 -8.344 17.299 0.00 0.00 WAT1 ATOM 5549 OH2 TIP3 1048 1.823 -6.655 15.315 0.00 0.00 WAT1 ATOM 5550 H1 TIP3 1048 0.934 -6.555 14.975 0.00 0.00 WAT1 ATOM 5551 H2 TIP3 1048 2.119 -7.497 14.969 0.00 0.00 WAT1 ATOM 5552 OH2 TIP3 1049 5.476 -6.655 12.971 0.00 0.00 WAT1 ATOM 5553 H1 TIP3 1049 6.408 -6.526 13.149 0.00 0.00 WAT1 ATOM 5554 H2 TIP3 1049 5.261 -5.985 12.322 0.00 0.00 WAT1 ATOM 5555 OH2 TIP3 1050 4.150 -5.460 10.538 0.00 0.00 WAT1 ATOM 5556 H1 TIP3 1050 3.608 -5.840 9.847 0.00 0.00 WAT1 ATOM 5557 H2 TIP3 1050 4.984 -5.266 10.109 0.00 0.00 WAT1 ATOM 5558 OH2 TIP3 1051 8.315 -5.496 18.375 0.00 0.00 WAT1 ATOM 5559 H1 TIP3 1051 8.879 -6.043 17.828 0.00 0.00 WAT1 ATOM 5560 H2 TIP3 1051 8.167 -6.018 19.164 0.00 0.00 WAT1 ATOM 5561 OH2 TIP3 1052 6.941 -7.108 20.789 0.00 0.00 WAT1 ATOM 5562 H1 TIP3 1052 6.106 -6.654 20.899 0.00 0.00 WAT1 ATOM 5563 H2 TIP3 1052 7.465 -6.832 21.541 0.00 0.00 WAT1 ATOM 5564 OH2 TIP3 1053 2.610 -1.600 18.243 0.00 0.00 WAT1 ATOM 5565 H1 TIP3 1053 3.355 -1.602 17.642 0.00 0.00 WAT1 ATOM 5566 H2 TIP3 1053 2.688 -2.424 18.725 0.00 0.00 WAT1 ATOM 5567 OH2 TIP3 1054 -0.382 -3.139 23.558 0.00 0.00 WAT1 ATOM 5568 H1 TIP3 1054 -0.159 -3.557 24.390 0.00 0.00 WAT1 ATOM 5569 H2 TIP3 1054 -0.984 -3.752 23.136 0.00 0.00 WAT1 ATOM 5570 OH2 TIP3 1055 0.740 -3.220 10.235 0.00 0.00 WAT1 ATOM 5571 H1 TIP3 1055 1.356 -2.593 10.614 0.00 0.00 WAT1 ATOM 5572 H2 TIP3 1055 -0.122 -2.904 10.506 0.00 0.00 WAT1 ATOM 5573 OH2 TIP3 1056 1.252 -8.386 23.116 0.00 0.00 WAT1 ATOM 5574 H1 TIP3 1056 0.359 -8.047 23.049 0.00 0.00 WAT1 ATOM 5575 H2 TIP3 1056 1.153 -9.241 23.534 0.00 0.00 WAT1 ATOM 5576 OH2 TIP3 1057 4.512 -9.121 11.564 0.00 0.00 WAT1 ATOM 5577 H1 TIP3 1057 4.429 -8.232 11.910 0.00 0.00 WAT1 ATOM 5578 H2 TIP3 1057 5.402 -9.386 11.795 0.00 0.00 WAT1 ATOM 5579 OH2 TIP3 1058 1.087 -6.029 9.740 0.00 0.00 WAT1 ATOM 5580 H1 TIP3 1058 1.042 -5.090 9.919 0.00 0.00 WAT1 ATOM 5581 H2 TIP3 1058 0.199 -6.265 9.470 0.00 0.00 WAT1 ATOM 5582 OH2 TIP3 1059 4.800 -4.675 23.652 0.00 0.00 WAT1 ATOM 5583 H1 TIP3 1059 4.182 -4.000 23.933 0.00 0.00 WAT1 ATOM 5584 H2 TIP3 1059 5.144 -4.354 22.819 0.00 0.00 WAT1 ATOM 5585 OH2 TIP3 1060 5.140 -7.320 24.735 0.00 0.00 WAT1 ATOM 5586 H1 TIP3 1060 5.290 -8.049 24.132 0.00 0.00 WAT1 ATOM 5587 H2 TIP3 1060 5.142 -6.543 24.176 0.00 0.00 WAT1 ATOM 5588 OH2 TIP3 1061 5.552 -8.950 22.227 0.00 0.00 WAT1 ATOM 5589 H1 TIP3 1061 6.088 -8.499 21.575 0.00 0.00 WAT1 ATOM 5590 H2 TIP3 1061 4.700 -9.058 21.805 0.00 0.00 WAT1 ATOM 5591 OH2 TIP3 1062 6.358 -11.494 22.659 0.00 0.00 WAT1 ATOM 5592 H1 TIP3 1062 6.260 -10.547 22.553 0.00 0.00 WAT1 ATOM 5593 H2 TIP3 1062 5.615 -11.866 22.183 0.00 0.00 WAT1 ATOM 5594 OH2 TIP3 1063 1.799 -8.201 26.351 0.00 0.00 WAT1 ATOM 5595 H1 TIP3 1063 2.010 -8.908 25.740 0.00 0.00 WAT1 ATOM 5596 H2 TIP3 1063 1.687 -8.639 27.195 0.00 0.00 WAT1 ATOM 5597 OH2 TIP3 1064 6.580 -12.200 25.330 0.00 0.00 WAT1 ATOM 5598 H1 TIP3 1064 7.292 -12.840 25.316 0.00 0.00 WAT1 ATOM 5599 H2 TIP3 1064 6.479 -11.933 24.416 0.00 0.00 WAT1 ATOM 5600 OH2 TIP3 1065 -0.353 -2.449 19.376 0.00 0.00 WAT1 ATOM 5601 H1 TIP3 1065 -0.169 -2.531 18.441 0.00 0.00 WAT1 ATOM 5602 H2 TIP3 1065 0.496 -2.573 19.800 0.00 0.00 WAT1 ATOM 5603 OH2 TIP3 1066 -0.755 -7.178 25.517 0.00 0.00 WAT1 ATOM 5604 H1 TIP3 1066 0.164 -7.300 25.753 0.00 0.00 WAT1 ATOM 5605 H2 TIP3 1066 -1.205 -7.928 25.906 0.00 0.00 WAT1 ATOM 5606 OH2 TIP3 1067 9.197 -9.998 17.885 0.00 0.00 WAT1 ATOM 5607 H1 TIP3 1067 8.522 -10.627 18.140 0.00 0.00 WAT1 ATOM 5608 H2 TIP3 1067 9.761 -10.482 17.282 0.00 0.00 WAT1 ATOM 5609 OH2 TIP3 1068 6.103 -11.437 15.520 0.00 0.00 WAT1 ATOM 5610 H1 TIP3 1068 6.977 -11.049 15.490 0.00 0.00 WAT1 ATOM 5611 H2 TIP3 1068 5.967 -11.652 16.443 0.00 0.00 WAT1 ATOM 5612 OH2 TIP3 1069 7.247 -9.357 12.410 0.00 0.00 WAT1 ATOM 5613 H1 TIP3 1069 7.425 -10.003 13.093 0.00 0.00 WAT1 ATOM 5614 H2 TIP3 1069 7.193 -8.523 12.877 0.00 0.00 WAT1 ATOM 5615 OH2 TIP3 1070 1.481 -10.850 25.224 0.00 0.00 WAT1 ATOM 5616 H1 TIP3 1070 1.115 -11.615 25.667 0.00 0.00 WAT1 ATOM 5617 H2 TIP3 1070 2.394 -10.821 25.511 0.00 0.00 WAT1 ATOM 5618 OH2 TIP3 1071 3.454 -11.499 26.760 0.00 0.00 WAT1 ATOM 5619 H1 TIP3 1071 4.353 -11.773 26.575 0.00 0.00 WAT1 ATOM 5620 H2 TIP3 1071 3.068 -12.242 27.224 0.00 0.00 WAT1 ATOM 5621 OH2 TIP3 1072 18.970 -51.262 -11.808 0.00 0.00 WAT1 ATOM 5622 H1 TIP3 1072 19.510 -51.479 -11.049 0.00 0.00 WAT1 ATOM 5623 H2 TIP3 1072 18.489 -52.068 -11.998 0.00 0.00 WAT1 ATOM 5624 OH2 TIP3 1073 20.095 -54.264 -11.692 0.00 0.00 WAT1 ATOM 5625 H1 TIP3 1073 19.274 -54.089 -12.152 0.00 0.00 WAT1 ATOM 5626 H2 TIP3 1073 19.843 -54.337 -10.771 0.00 0.00 WAT1 ATOM 5627 OH2 TIP3 1074 20.451 -50.033 -15.386 0.00 0.00 WAT1 ATOM 5628 H1 TIP3 1074 19.731 -49.593 -15.837 0.00 0.00 WAT1 ATOM 5629 H2 TIP3 1074 20.085 -50.284 -14.537 0.00 0.00 WAT1 ATOM 5630 OH2 TIP3 1075 20.759 -59.906 1.821 0.00 0.00 WAT1 ATOM 5631 H1 TIP3 1075 20.801 -60.532 2.545 0.00 0.00 WAT1 ATOM 5632 H2 TIP3 1075 21.462 -59.283 2.003 0.00 0.00 WAT1 ATOM 5633 OH2 TIP3 1076 18.293 -61.796 -4.251 0.00 0.00 WAT1 ATOM 5634 H1 TIP3 1076 17.845 -60.950 -4.269 0.00 0.00 WAT1 ATOM 5635 H2 TIP3 1076 17.732 -62.376 -4.766 0.00 0.00 WAT1 ATOM 5636 OH2 TIP3 1077 19.003 -59.634 -2.125 0.00 0.00 WAT1 ATOM 5637 H1 TIP3 1077 19.217 -60.404 -1.598 0.00 0.00 WAT1 ATOM 5638 H2 TIP3 1077 19.741 -59.545 -2.728 0.00 0.00 WAT1 ATOM 5639 OH2 TIP3 1078 26.780 -57.088 0.634 0.00 0.00 WAT1 ATOM 5640 H1 TIP3 1078 27.084 -57.774 0.040 0.00 0.00 WAT1 ATOM 5641 H2 TIP3 1078 27.502 -56.970 1.252 0.00 0.00 WAT1 ATOM 5642 OH2 TIP3 1079 19.696 -62.196 -1.004 0.00 0.00 WAT1 ATOM 5643 H1 TIP3 1079 20.350 -62.746 -0.572 0.00 0.00 WAT1 ATOM 5644 H2 TIP3 1079 19.720 -62.470 -1.920 0.00 0.00 WAT1 ATOM 5645 OH2 TIP3 1080 24.455 -57.999 2.596 0.00 0.00 WAT1 ATOM 5646 H1 TIP3 1080 23.715 -57.401 2.699 0.00 0.00 WAT1 ATOM 5647 H2 TIP3 1080 25.169 -57.445 2.280 0.00 0.00 WAT1 ATOM 5648 OH2 TIP3 1081 22.863 -56.035 3.383 0.00 0.00 WAT1 ATOM 5649 H1 TIP3 1081 22.857 -55.156 3.005 0.00 0.00 WAT1 ATOM 5650 H2 TIP3 1081 22.009 -56.118 3.808 0.00 0.00 WAT1 ATOM 5651 OH2 TIP3 1082 18.984 -56.364 -5.835 0.00 0.00 WAT1 ATOM 5652 H1 TIP3 1082 18.712 -56.135 -6.724 0.00 0.00 WAT1 ATOM 5653 H2 TIP3 1082 19.029 -55.526 -5.375 0.00 0.00 WAT1 ATOM 5654 OH2 TIP3 1083 23.230 -58.692 -2.904 0.00 0.00 WAT1 ATOM 5655 H1 TIP3 1083 22.900 -59.062 -3.723 0.00 0.00 WAT1 ATOM 5656 H2 TIP3 1083 23.818 -59.362 -2.558 0.00 0.00 WAT1 ATOM 5657 OH2 TIP3 1084 24.597 -55.264 -0.223 0.00 0.00 WAT1 ATOM 5658 H1 TIP3 1084 24.502 -55.842 -0.980 0.00 0.00 WAT1 ATOM 5659 H2 TIP3 1084 25.326 -55.635 0.273 0.00 0.00 WAT1 ATOM 5660 OH2 TIP3 1085 23.597 -59.923 0.729 0.00 0.00 WAT1 ATOM 5661 H1 TIP3 1085 24.162 -59.802 -0.034 0.00 0.00 WAT1 ATOM 5662 H2 TIP3 1085 23.916 -59.286 1.368 0.00 0.00 WAT1 ATOM 5663 OH2 TIP3 1086 24.477 -55.524 5.446 0.00 0.00 WAT1 ATOM 5664 H1 TIP3 1086 24.165 -54.742 5.902 0.00 0.00 WAT1 ATOM 5665 H2 TIP3 1086 23.827 -55.677 4.760 0.00 0.00 WAT1 ATOM 5666 OH2 TIP3 1087 21.397 -59.326 4.675 0.00 0.00 WAT1 ATOM 5667 H1 TIP3 1087 21.467 -58.675 5.373 0.00 0.00 WAT1 ATOM 5668 H2 TIP3 1087 20.506 -59.223 4.340 0.00 0.00 WAT1 ATOM 5669 OH2 TIP3 1088 22.716 -53.452 6.210 0.00 0.00 WAT1 ATOM 5670 H1 TIP3 1088 22.724 -53.588 5.262 0.00 0.00 WAT1 ATOM 5671 H2 TIP3 1088 21.800 -53.570 6.462 0.00 0.00 WAT1 ATOM 5672 OH2 TIP3 1089 22.220 -59.622 -5.315 0.00 0.00 WAT1 ATOM 5673 H1 TIP3 1089 21.928 -58.854 -5.806 0.00 0.00 WAT1 ATOM 5674 H2 TIP3 1089 21.546 -60.282 -5.478 0.00 0.00 WAT1 ATOM 5675 OH2 TIP3 1090 27.654 -50.467 -5.252 0.00 0.00 WAT1 ATOM 5676 H1 TIP3 1090 27.579 -50.588 -6.198 0.00 0.00 WAT1 ATOM 5677 H2 TIP3 1090 27.687 -49.517 -5.133 0.00 0.00 WAT1 ATOM 5678 OH2 TIP3 1091 21.141 -57.471 6.781 0.00 0.00 WAT1 ATOM 5679 H1 TIP3 1091 21.874 -57.217 7.342 0.00 0.00 WAT1 ATOM 5680 H2 TIP3 1091 20.361 -57.267 7.296 0.00 0.00 WAT1 ATOM 5681 OH2 TIP3 1092 21.466 -58.168 -0.613 0.00 0.00 WAT1 ATOM 5682 H1 TIP3 1092 22.211 -58.170 -1.214 0.00 0.00 WAT1 ATOM 5683 H2 TIP3 1092 21.544 -58.992 -0.131 0.00 0.00 WAT1 ATOM 5684 OH2 TIP3 1093 18.474 -59.707 4.702 0.00 0.00 WAT1 ATOM 5685 H1 TIP3 1093 18.697 -60.125 5.534 0.00 0.00 WAT1 ATOM 5686 H2 TIP3 1093 17.872 -60.320 4.280 0.00 0.00 WAT1 ATOM 5687 OH2 TIP3 1094 23.841 -54.650 -3.208 0.00 0.00 WAT1 ATOM 5688 H1 TIP3 1094 24.368 -53.877 -3.409 0.00 0.00 WAT1 ATOM 5689 H2 TIP3 1094 22.961 -54.425 -3.510 0.00 0.00 WAT1 ATOM 5690 OH2 TIP3 1095 25.268 -56.987 -3.632 0.00 0.00 WAT1 ATOM 5691 H1 TIP3 1095 25.027 -56.062 -3.590 0.00 0.00 WAT1 ATOM 5692 H2 TIP3 1095 24.528 -57.446 -3.236 0.00 0.00 WAT1 ATOM 5693 OH2 TIP3 1096 25.783 -52.838 2.683 0.00 0.00 WAT1 ATOM 5694 H1 TIP3 1096 26.146 -51.983 2.450 0.00 0.00 WAT1 ATOM 5695 H2 TIP3 1096 26.315 -53.130 3.424 0.00 0.00 WAT1 ATOM 5696 OH2 TIP3 1097 23.952 -51.965 -4.087 0.00 0.00 WAT1 ATOM 5697 H1 TIP3 1097 23.002 -51.860 -4.035 0.00 0.00 WAT1 ATOM 5698 H2 TIP3 1097 24.303 -51.145 -3.742 0.00 0.00 WAT1 ATOM 5699 OH2 TIP3 1098 21.011 -57.875 -7.129 0.00 0.00 WAT1 ATOM 5700 H1 TIP3 1098 20.325 -57.523 -6.562 0.00 0.00 WAT1 ATOM 5701 H2 TIP3 1098 21.534 -57.112 -7.375 0.00 0.00 WAT1 ATOM 5702 OH2 TIP3 1099 24.634 -52.387 -6.908 0.00 0.00 WAT1 ATOM 5703 H1 TIP3 1099 24.795 -51.587 -7.409 0.00 0.00 WAT1 ATOM 5704 H2 TIP3 1099 24.437 -52.080 -6.023 0.00 0.00 WAT1 ATOM 5705 OH2 TIP3 1100 21.627 -55.261 -8.232 0.00 0.00 WAT1 ATOM 5706 H1 TIP3 1100 22.219 -54.562 -7.956 0.00 0.00 WAT1 ATOM 5707 H2 TIP3 1100 22.086 -55.694 -8.951 0.00 0.00 WAT1 ATOM 5708 OH2 TIP3 1101 19.681 -53.875 -4.282 0.00 0.00 WAT1 ATOM 5709 H1 TIP3 1101 18.849 -53.402 -4.255 0.00 0.00 WAT1 ATOM 5710 H2 TIP3 1101 20.227 -53.365 -4.881 0.00 0.00 WAT1 ATOM 5711 OH2 TIP3 1102 23.567 -52.343 8.668 0.00 0.00 WAT1 ATOM 5712 H1 TIP3 1102 24.335 -52.802 9.009 0.00 0.00 WAT1 ATOM 5713 H2 TIP3 1102 23.546 -52.569 7.738 0.00 0.00 WAT1 ATOM 5714 OH2 TIP3 1103 19.709 -60.252 7.422 0.00 0.00 WAT1 ATOM 5715 H1 TIP3 1103 20.117 -61.109 7.301 0.00 0.00 WAT1 ATOM 5716 H2 TIP3 1103 19.449 -60.237 8.343 0.00 0.00 WAT1 ATOM 5717 OH2 TIP3 1104 25.336 -50.202 -8.296 0.00 0.00 WAT1 ATOM 5718 H1 TIP3 1104 26.269 -50.044 -8.152 0.00 0.00 WAT1 ATOM 5719 H2 TIP3 1104 25.072 -49.527 -8.921 0.00 0.00 WAT1 ATOM 5720 OH2 TIP3 1105 18.904 -55.566 -8.813 0.00 0.00 WAT1 ATOM 5721 H1 TIP3 1105 19.818 -55.487 -8.540 0.00 0.00 WAT1 ATOM 5722 H2 TIP3 1105 18.911 -56.253 -9.480 0.00 0.00 WAT1 ATOM 5723 OH2 TIP3 1106 17.626 -62.435 0.621 0.00 0.00 WAT1 ATOM 5724 H1 TIP3 1106 18.118 -62.656 -0.169 0.00 0.00 WAT1 ATOM 5725 H2 TIP3 1106 17.988 -61.594 0.902 0.00 0.00 WAT1 ATOM 5726 OH2 TIP3 1107 23.049 -53.289 3.423 0.00 0.00 WAT1 ATOM 5727 H1 TIP3 1107 22.624 -52.480 3.140 0.00 0.00 WAT1 ATOM 5728 H2 TIP3 1107 23.954 -53.204 3.121 0.00 0.00 WAT1 ATOM 5729 OH2 TIP3 1108 27.629 -50.545 1.676 0.00 0.00 WAT1 ATOM 5730 H1 TIP3 1108 27.172 -50.016 1.022 0.00 0.00 WAT1 ATOM 5731 H2 TIP3 1108 27.792 -49.942 2.401 0.00 0.00 WAT1 ATOM 5732 OH2 TIP3 1109 24.544 -52.230 -0.116 0.00 0.00 WAT1 ATOM 5733 H1 TIP3 1109 24.757 -53.118 -0.403 0.00 0.00 WAT1 ATOM 5734 H2 TIP3 1109 24.609 -52.264 0.839 0.00 0.00 WAT1 ATOM 5735 OH2 TIP3 1110 19.117 -52.186 -6.448 0.00 0.00 WAT1 ATOM 5736 H1 TIP3 1110 18.432 -52.224 -7.116 0.00 0.00 WAT1 ATOM 5737 H2 TIP3 1110 19.120 -51.273 -6.160 0.00 0.00 WAT1 ATOM 5738 OH2 TIP3 1111 20.935 -51.266 -9.423 0.00 0.00 WAT1 ATOM 5739 H1 TIP3 1111 20.667 -50.979 -8.550 0.00 0.00 WAT1 ATOM 5740 H2 TIP3 1111 21.706 -51.812 -9.271 0.00 0.00 WAT1 ATOM 5741 OH2 TIP3 1112 18.984 -56.364 13.021 0.00 0.00 WAT1 ATOM 5742 H1 TIP3 1112 18.712 -56.135 12.132 0.00 0.00 WAT1 ATOM 5743 H2 TIP3 1112 19.029 -55.526 13.481 0.00 0.00 WAT1 ATOM 5744 OH2 TIP3 1113 19.596 -59.788 10.235 0.00 0.00 WAT1 ATOM 5745 H1 TIP3 1113 20.212 -59.161 10.614 0.00 0.00 WAT1 ATOM 5746 H2 TIP3 1113 18.734 -59.472 10.506 0.00 0.00 WAT1 ATOM 5747 OH2 TIP3 1114 25.621 -54.698 8.761 0.00 0.00 WAT1 ATOM 5748 H1 TIP3 1114 25.860 -55.446 8.213 0.00 0.00 WAT1 ATOM 5749 H2 TIP3 1114 25.352 -55.086 9.593 0.00 0.00 WAT1 ATOM 5750 OH2 TIP3 1115 24.558 -55.128 11.217 0.00 0.00 WAT1 ATOM 5751 H1 TIP3 1115 24.705 -55.648 12.007 0.00 0.00 WAT1 ATOM 5752 H2 TIP3 1115 24.555 -54.221 11.523 0.00 0.00 WAT1 ATOM 5753 OH2 TIP3 1116 21.011 -57.875 11.727 0.00 0.00 WAT1 ATOM 5754 H1 TIP3 1116 20.325 -57.523 12.294 0.00 0.00 WAT1 ATOM 5755 H2 TIP3 1116 21.534 -57.112 11.481 0.00 0.00 WAT1 ATOM 5756 OH2 TIP3 1117 21.627 -55.261 10.624 0.00 0.00 WAT1 ATOM 5757 H1 TIP3 1117 22.219 -54.562 10.900 0.00 0.00 WAT1 ATOM 5758 H2 TIP3 1117 22.086 -55.694 9.905 0.00 0.00 WAT1 ATOM 5759 OH2 TIP3 1118 23.218 -57.108 8.990 0.00 0.00 WAT1 ATOM 5760 H1 TIP3 1118 23.282 -57.902 9.521 0.00 0.00 WAT1 ATOM 5761 H2 TIP3 1118 23.871 -57.227 8.301 0.00 0.00 WAT1 ATOM 5762 OH2 TIP3 1119 19.117 -52.186 12.408 0.00 0.00 WAT1 ATOM 5763 H1 TIP3 1119 18.432 -52.224 11.740 0.00 0.00 WAT1 ATOM 5764 H2 TIP3 1119 19.120 -51.273 12.696 0.00 0.00 WAT1 ATOM 5765 OH2 TIP3 1120 20.935 -51.266 9.433 0.00 0.00 WAT1 ATOM 5766 H1 TIP3 1120 20.667 -50.979 10.306 0.00 0.00 WAT1 ATOM 5767 H2 TIP3 1120 21.706 -51.812 9.585 0.00 0.00 WAT1 ATOM 5768 OH2 TIP3 1121 18.474 -40.851 -14.154 0.00 0.00 WAT1 ATOM 5769 H1 TIP3 1121 18.697 -41.269 -13.322 0.00 0.00 WAT1 ATOM 5770 H2 TIP3 1121 17.872 -41.464 -14.576 0.00 0.00 WAT1 ATOM 5771 OH2 TIP3 1122 20.108 -46.098 -14.596 0.00 0.00 WAT1 ATOM 5772 H1 TIP3 1122 19.215 -45.759 -14.663 0.00 0.00 WAT1 ATOM 5773 H2 TIP3 1122 20.009 -46.953 -14.178 0.00 0.00 WAT1 ATOM 5774 OH2 TIP3 1123 18.877 -38.596 -10.854 0.00 0.00 WAT1 ATOM 5775 H1 TIP3 1123 19.021 -39.498 -11.140 0.00 0.00 WAT1 ATOM 5776 H2 TIP3 1123 18.104 -38.310 -11.342 0.00 0.00 WAT1 ATOM 5777 OH2 TIP3 1124 19.709 -41.396 -11.434 0.00 0.00 WAT1 ATOM 5778 H1 TIP3 1124 20.117 -42.253 -11.555 0.00 0.00 WAT1 ATOM 5779 H2 TIP3 1124 19.449 -41.381 -10.513 0.00 0.00 WAT1 ATOM 5780 OH2 TIP3 1125 20.655 -45.913 -11.361 0.00 0.00 WAT1 ATOM 5781 H1 TIP3 1125 20.866 -46.620 -11.972 0.00 0.00 WAT1 ATOM 5782 H2 TIP3 1125 20.543 -46.351 -10.517 0.00 0.00 WAT1 ATOM 5783 OH2 TIP3 1126 18.101 -44.890 -12.195 0.00 0.00 WAT1 ATOM 5784 H1 TIP3 1126 19.020 -45.012 -11.959 0.00 0.00 WAT1 ATOM 5785 H2 TIP3 1126 17.651 -45.640 -11.806 0.00 0.00 WAT1 ATOM 5786 OH2 TIP3 1127 17.903 -48.583 -15.836 0.00 0.00 WAT1 ATOM 5787 H1 TIP3 1127 17.238 -48.829 -15.193 0.00 0.00 WAT1 ATOM 5788 H2 TIP3 1127 17.460 -47.961 -16.413 0.00 0.00 WAT1 ATOM 5789 OH2 TIP3 1128 20.337 -48.562 -12.488 0.00 0.00 WAT1 ATOM 5790 H1 TIP3 1128 19.971 -49.327 -12.045 0.00 0.00 WAT1 ATOM 5791 H2 TIP3 1128 21.250 -48.533 -12.201 0.00 0.00 WAT1 ATOM 5792 OH2 TIP3 1129 22.310 -49.211 -10.952 0.00 0.00 WAT1 ATOM 5793 H1 TIP3 1129 23.209 -49.485 -11.137 0.00 0.00 WAT1 ATOM 5794 H2 TIP3 1129 21.924 -49.954 -10.488 0.00 0.00 WAT1 ATOM 5795 OH2 TIP3 1130 21.683 -36.600 0.356 0.00 0.00 WAT1 ATOM 5796 H1 TIP3 1130 21.313 -37.402 -0.013 0.00 0.00 WAT1 ATOM 5797 H2 TIP3 1130 22.624 -36.769 0.403 0.00 0.00 WAT1 ATOM 5798 OH2 TIP3 1131 24.852 -41.790 -1.788 0.00 0.00 WAT1 ATOM 5799 H1 TIP3 1131 25.468 -42.316 -1.279 0.00 0.00 WAT1 ATOM 5800 H2 TIP3 1131 24.266 -42.430 -2.192 0.00 0.00 WAT1 ATOM 5801 OH2 TIP3 1132 24.455 -39.143 2.596 0.00 0.00 WAT1 ATOM 5802 H1 TIP3 1132 23.715 -38.545 2.699 0.00 0.00 WAT1 ATOM 5803 H2 TIP3 1132 25.169 -38.589 2.280 0.00 0.00 WAT1 ATOM 5804 OH2 TIP3 1133 22.863 -37.179 3.383 0.00 0.00 WAT1 ATOM 5805 H1 TIP3 1133 22.857 -36.300 3.005 0.00 0.00 WAT1 ATOM 5806 H2 TIP3 1133 22.009 -37.262 3.808 0.00 0.00 WAT1 ATOM 5807 OH2 TIP3 1134 18.984 -37.508 -5.835 0.00 0.00 WAT1 ATOM 5808 H1 TIP3 1134 18.712 -37.279 -6.724 0.00 0.00 WAT1 ATOM 5809 H2 TIP3 1134 19.029 -36.670 -5.375 0.00 0.00 WAT1 ATOM 5810 OH2 TIP3 1135 25.912 -49.513 -0.239 0.00 0.00 WAT1 ATOM 5811 H1 TIP3 1135 25.795 -50.462 -0.293 0.00 0.00 WAT1 ATOM 5812 H2 TIP3 1135 25.057 -49.181 0.034 0.00 0.00 WAT1 ATOM 5813 OH2 TIP3 1136 23.230 -39.836 -2.904 0.00 0.00 WAT1 ATOM 5814 H1 TIP3 1136 22.900 -40.206 -3.723 0.00 0.00 WAT1 ATOM 5815 H2 TIP3 1136 23.818 -40.506 -2.558 0.00 0.00 WAT1 ATOM 5816 OH2 TIP3 1137 24.597 -36.408 -0.223 0.00 0.00 WAT1 ATOM 5817 H1 TIP3 1137 24.502 -36.986 -0.980 0.00 0.00 WAT1 ATOM 5818 H2 TIP3 1137 25.326 -36.779 0.273 0.00 0.00 WAT1 ATOM 5819 OH2 TIP3 1138 23.597 -41.067 0.729 0.00 0.00 WAT1 ATOM 5820 H1 TIP3 1138 24.162 -40.946 -0.034 0.00 0.00 WAT1 ATOM 5821 H2 TIP3 1138 23.916 -40.430 1.368 0.00 0.00 WAT1 ATOM 5822 OH2 TIP3 1139 24.477 -36.668 5.446 0.00 0.00 WAT1 ATOM 5823 H1 TIP3 1139 24.165 -35.886 5.902 0.00 0.00 WAT1 ATOM 5824 H2 TIP3 1139 23.827 -36.821 4.760 0.00 0.00 WAT1 ATOM 5825 OH2 TIP3 1140 21.397 -40.470 4.675 0.00 0.00 WAT1 ATOM 5826 H1 TIP3 1140 21.467 -39.819 5.373 0.00 0.00 WAT1 ATOM 5827 H2 TIP3 1140 20.506 -40.367 4.340 0.00 0.00 WAT1 ATOM 5828 OH2 TIP3 1141 22.716 -34.596 6.210 0.00 0.00 WAT1 ATOM 5829 H1 TIP3 1141 22.724 -34.732 5.262 0.00 0.00 WAT1 ATOM 5830 H2 TIP3 1141 21.800 -34.714 6.462 0.00 0.00 WAT1 ATOM 5831 OH2 TIP3 1142 22.220 -40.766 -5.315 0.00 0.00 WAT1 ATOM 5832 H1 TIP3 1142 21.928 -39.998 -5.806 0.00 0.00 WAT1 ATOM 5833 H2 TIP3 1142 21.546 -41.426 -5.478 0.00 0.00 WAT1 ATOM 5834 OH2 TIP3 1143 23.269 -43.423 -3.454 0.00 0.00 WAT1 ATOM 5835 H1 TIP3 1143 22.376 -43.764 -3.513 0.00 0.00 WAT1 ATOM 5836 H2 TIP3 1143 23.720 -43.800 -4.210 0.00 0.00 WAT1 ATOM 5837 OH2 TIP3 1144 24.388 -45.950 -9.701 0.00 0.00 WAT1 ATOM 5838 H1 TIP3 1144 23.957 -46.395 -8.971 0.00 0.00 WAT1 ATOM 5839 H2 TIP3 1144 23.670 -45.578 -10.213 0.00 0.00 WAT1 ATOM 5840 OH2 TIP3 1145 25.851 -45.996 -2.368 0.00 0.00 WAT1 ATOM 5841 H1 TIP3 1145 24.940 -45.939 -2.079 0.00 0.00 WAT1 ATOM 5842 H2 TIP3 1145 26.356 -46.056 -1.557 0.00 0.00 WAT1 ATOM 5843 OH2 TIP3 1146 24.332 -44.367 -5.885 0.00 0.00 WAT1 ATOM 5844 H1 TIP3 1146 25.264 -44.238 -5.707 0.00 0.00 WAT1 ATOM 5845 H2 TIP3 1146 24.117 -43.697 -6.534 0.00 0.00 WAT1 ATOM 5846 OH2 TIP3 1147 23.006 -43.172 -8.318 0.00 0.00 WAT1 ATOM 5847 H1 TIP3 1147 22.464 -43.552 -9.009 0.00 0.00 WAT1 ATOM 5848 H2 TIP3 1147 23.840 -42.978 -8.747 0.00 0.00 WAT1 ATOM 5849 OH2 TIP3 1148 21.141 -38.615 6.781 0.00 0.00 WAT1 ATOM 5850 H1 TIP3 1148 21.874 -38.361 7.342 0.00 0.00 WAT1 ATOM 5851 H2 TIP3 1148 20.361 -38.411 7.296 0.00 0.00 WAT1 ATOM 5852 OH2 TIP3 1149 27.171 -43.208 -0.481 0.00 0.00 WAT1 ATOM 5853 H1 TIP3 1149 27.735 -43.755 -1.028 0.00 0.00 WAT1 ATOM 5854 H2 TIP3 1149 27.023 -43.730 0.308 0.00 0.00 WAT1 ATOM 5855 OH2 TIP3 1150 25.797 -44.820 1.933 0.00 0.00 WAT1 ATOM 5856 H1 TIP3 1150 24.962 -44.366 2.043 0.00 0.00 WAT1 ATOM 5857 H2 TIP3 1150 26.321 -44.544 2.685 0.00 0.00 WAT1 ATOM 5858 OH2 TIP3 1151 21.466 -39.312 -0.613 0.00 0.00 WAT1 ATOM 5859 H1 TIP3 1151 22.211 -39.314 -1.214 0.00 0.00 WAT1 ATOM 5860 H2 TIP3 1151 21.544 -40.136 -0.131 0.00 0.00 WAT1 ATOM 5861 OH2 TIP3 1152 23.841 -35.794 -3.208 0.00 0.00 WAT1 ATOM 5862 H1 TIP3 1152 24.368 -35.021 -3.409 0.00 0.00 WAT1 ATOM 5863 H2 TIP3 1152 22.961 -35.569 -3.510 0.00 0.00 WAT1 ATOM 5864 OH2 TIP3 1153 19.596 -40.932 -8.621 0.00 0.00 WAT1 ATOM 5865 H1 TIP3 1153 20.212 -40.305 -8.242 0.00 0.00 WAT1 ATOM 5866 H2 TIP3 1153 18.734 -40.616 -8.350 0.00 0.00 WAT1 ATOM 5867 OH2 TIP3 1154 25.783 -33.982 2.683 0.00 0.00 WAT1 ATOM 5868 H1 TIP3 1154 26.146 -33.127 2.450 0.00 0.00 WAT1 ATOM 5869 H2 TIP3 1154 26.315 -34.274 3.424 0.00 0.00 WAT1 ATOM 5870 OH2 TIP3 1155 23.952 -33.109 -4.087 0.00 0.00 WAT1 ATOM 5871 H1 TIP3 1155 23.002 -33.004 -4.035 0.00 0.00 WAT1 ATOM 5872 H2 TIP3 1155 24.303 -32.289 -3.742 0.00 0.00 WAT1 ATOM 5873 OH2 TIP3 1156 20.108 -46.098 4.260 0.00 0.00 WAT1 ATOM 5874 H1 TIP3 1156 19.215 -45.759 4.193 0.00 0.00 WAT1 ATOM 5875 H2 TIP3 1156 20.009 -46.953 4.678 0.00 0.00 WAT1 ATOM 5876 OH2 TIP3 1157 21.011 -39.019 -7.129 0.00 0.00 WAT1 ATOM 5877 H1 TIP3 1157 20.325 -38.667 -6.562 0.00 0.00 WAT1 ATOM 5878 H2 TIP3 1157 21.534 -38.256 -7.375 0.00 0.00 WAT1 ATOM 5879 OH2 TIP3 1158 26.827 -44.977 -4.918 0.00 0.00 WAT1 ATOM 5880 H1 TIP3 1158 27.639 -44.473 -4.872 0.00 0.00 WAT1 ATOM 5881 H2 TIP3 1158 26.582 -45.122 -4.004 0.00 0.00 WAT1 ATOM 5882 OH2 TIP3 1159 24.634 -33.531 -6.908 0.00 0.00 WAT1 ATOM 5883 H1 TIP3 1159 24.795 -32.731 -7.409 0.00 0.00 WAT1 ATOM 5884 H2 TIP3 1159 24.437 -33.224 -6.023 0.00 0.00 WAT1 ATOM 5885 OH2 TIP3 1160 23.368 -46.833 -7.292 0.00 0.00 WAT1 ATOM 5886 H1 TIP3 1160 23.285 -45.944 -6.946 0.00 0.00 WAT1 ATOM 5887 H2 TIP3 1160 24.258 -47.098 -7.061 0.00 0.00 WAT1 ATOM 5888 OH2 TIP3 1161 21.627 -36.405 -8.232 0.00 0.00 WAT1 ATOM 5889 H1 TIP3 1161 22.219 -35.706 -7.956 0.00 0.00 WAT1 ATOM 5890 H2 TIP3 1161 22.086 -36.838 -8.951 0.00 0.00 WAT1 ATOM 5891 OH2 TIP3 1162 19.943 -43.741 -9.116 0.00 0.00 WAT1 ATOM 5892 H1 TIP3 1162 19.898 -42.802 -8.937 0.00 0.00 WAT1 ATOM 5893 H2 TIP3 1162 19.055 -43.977 -9.386 0.00 0.00 WAT1 ATOM 5894 OH2 TIP3 1163 23.567 -33.487 8.668 0.00 0.00 WAT1 ATOM 5895 H1 TIP3 1163 24.335 -33.946 9.009 0.00 0.00 WAT1 ATOM 5896 H2 TIP3 1163 23.546 -33.713 7.738 0.00 0.00 WAT1 ATOM 5897 OH2 TIP3 1164 19.709 -41.396 7.422 0.00 0.00 WAT1 ATOM 5898 H1 TIP3 1164 20.117 -42.253 7.301 0.00 0.00 WAT1 ATOM 5899 H2 TIP3 1164 19.449 -41.381 8.343 0.00 0.00 WAT1 ATOM 5900 OH2 TIP3 1165 23.656 -42.387 4.796 0.00 0.00 WAT1 ATOM 5901 H1 TIP3 1165 23.038 -41.712 5.077 0.00 0.00 WAT1 ATOM 5902 H2 TIP3 1165 24.000 -42.066 3.963 0.00 0.00 WAT1 ATOM 5903 OH2 TIP3 1166 23.996 -45.032 5.879 0.00 0.00 WAT1 ATOM 5904 H1 TIP3 1166 24.146 -45.761 5.276 0.00 0.00 WAT1 ATOM 5905 H2 TIP3 1166 23.998 -44.255 5.320 0.00 0.00 WAT1 ATOM 5906 OH2 TIP3 1167 24.408 -46.662 3.371 0.00 0.00 WAT1 ATOM 5907 H1 TIP3 1167 24.944 -46.211 2.719 0.00 0.00 WAT1 ATOM 5908 H2 TIP3 1167 23.556 -46.770 2.949 0.00 0.00 WAT1 ATOM 5909 OH2 TIP3 1168 25.990 -41.223 3.611 0.00 0.00 WAT1 ATOM 5910 H1 TIP3 1168 26.741 -41.379 3.038 0.00 0.00 WAT1 ATOM 5911 H2 TIP3 1168 25.651 -40.371 3.335 0.00 0.00 WAT1 ATOM 5912 OH2 TIP3 1169 22.474 -43.834 7.790 0.00 0.00 WAT1 ATOM 5913 H1 TIP3 1169 21.707 -44.366 7.580 0.00 0.00 WAT1 ATOM 5914 H2 TIP3 1169 23.153 -44.144 7.191 0.00 0.00 WAT1 ATOM 5915 OH2 TIP3 1170 25.214 -49.206 3.803 0.00 0.00 WAT1 ATOM 5916 H1 TIP3 1170 25.116 -48.259 3.697 0.00 0.00 WAT1 ATOM 5917 H2 TIP3 1170 24.471 -49.578 3.327 0.00 0.00 WAT1 ATOM 5918 OH2 TIP3 1171 20.655 -45.913 7.495 0.00 0.00 WAT1 ATOM 5919 H1 TIP3 1171 20.866 -46.620 6.884 0.00 0.00 WAT1 ATOM 5920 H2 TIP3 1171 20.543 -46.351 8.339 0.00 0.00 WAT1 ATOM 5921 OH2 TIP3 1172 25.436 -49.912 6.474 0.00 0.00 WAT1 ATOM 5922 H1 TIP3 1172 26.148 -50.552 6.460 0.00 0.00 WAT1 ATOM 5923 H2 TIP3 1172 25.335 -49.645 5.560 0.00 0.00 WAT1 ATOM 5924 OH2 TIP3 1173 18.904 -36.710 -8.813 0.00 0.00 WAT1 ATOM 5925 H1 TIP3 1173 19.818 -36.631 -8.540 0.00 0.00 WAT1 ATOM 5926 H2 TIP3 1173 18.911 -37.397 -9.480 0.00 0.00 WAT1 ATOM 5927 OH2 TIP3 1174 23.049 -34.433 3.423 0.00 0.00 WAT1 ATOM 5928 H1 TIP3 1174 22.624 -33.624 3.140 0.00 0.00 WAT1 ATOM 5929 H2 TIP3 1174 23.954 -34.348 3.121 0.00 0.00 WAT1 ATOM 5930 OH2 TIP3 1175 22.918 -31.577 2.500 0.00 0.00 WAT1 ATOM 5931 H1 TIP3 1175 22.053 -31.505 2.904 0.00 0.00 WAT1 ATOM 5932 H2 TIP3 1175 22.863 -31.030 1.716 0.00 0.00 WAT1 ATOM 5933 OH2 TIP3 1176 27.629 -31.689 1.676 0.00 0.00 WAT1 ATOM 5934 H1 TIP3 1176 27.172 -31.160 1.022 0.00 0.00 WAT1 ATOM 5935 H2 TIP3 1176 27.792 -31.086 2.401 0.00 0.00 WAT1 ATOM 5936 OH2 TIP3 1177 24.544 -33.374 -0.116 0.00 0.00 WAT1 ATOM 5937 H1 TIP3 1177 24.757 -34.262 -0.403 0.00 0.00 WAT1 ATOM 5938 H2 TIP3 1177 24.609 -33.408 0.839 0.00 0.00 WAT1 ATOM 5939 OH2 TIP3 1178 28.053 -47.710 -0.971 0.00 0.00 WAT1 ATOM 5940 H1 TIP3 1178 27.378 -48.339 -0.716 0.00 0.00 WAT1 ATOM 5941 H2 TIP3 1178 28.617 -48.194 -1.574 0.00 0.00 WAT1 ATOM 5942 OH2 TIP3 1179 24.959 -49.149 -3.336 0.00 0.00 WAT1 ATOM 5943 H1 TIP3 1179 25.833 -48.761 -3.366 0.00 0.00 WAT1 ATOM 5944 H2 TIP3 1179 24.823 -49.364 -2.413 0.00 0.00 WAT1 ATOM 5945 OH2 TIP3 1180 19.117 -33.330 -6.448 0.00 0.00 WAT1 ATOM 5946 H1 TIP3 1180 18.432 -33.368 -7.116 0.00 0.00 WAT1 ATOM 5947 H2 TIP3 1180 19.120 -32.417 -6.160 0.00 0.00 WAT1 ATOM 5948 OH2 TIP3 1181 21.077 -47.362 -8.903 0.00 0.00 WAT1 ATOM 5949 H1 TIP3 1181 21.568 -47.992 -9.431 0.00 0.00 WAT1 ATOM 5950 H2 TIP3 1181 21.700 -47.066 -8.240 0.00 0.00 WAT1 ATOM 5951 OH2 TIP3 1182 26.103 -47.069 -6.446 0.00 0.00 WAT1 ATOM 5952 H1 TIP3 1182 26.281 -47.715 -5.763 0.00 0.00 WAT1 ATOM 5953 H2 TIP3 1182 26.049 -46.235 -5.979 0.00 0.00 WAT1 ATOM 5954 OH2 TIP3 1183 20.337 -48.562 6.368 0.00 0.00 WAT1 ATOM 5955 H1 TIP3 1183 19.971 -49.327 6.811 0.00 0.00 WAT1 ATOM 5956 H2 TIP3 1183 21.250 -48.533 6.655 0.00 0.00 WAT1 ATOM 5957 OH2 TIP3 1184 22.310 -49.211 7.904 0.00 0.00 WAT1 ATOM 5958 H1 TIP3 1184 23.209 -49.485 7.719 0.00 0.00 WAT1 ATOM 5959 H2 TIP3 1184 21.924 -49.954 8.368 0.00 0.00 WAT1 ATOM 5960 OH2 TIP3 1185 20.935 -32.410 -9.423 0.00 0.00 WAT1 ATOM 5961 H1 TIP3 1185 20.667 -32.123 -8.550 0.00 0.00 WAT1 ATOM 5962 H2 TIP3 1185 21.706 -32.956 -9.271 0.00 0.00 WAT1 ATOM 5963 OH2 TIP3 1186 20.759 -41.050 20.677 0.00 0.00 WAT1 ATOM 5964 H1 TIP3 1186 20.801 -41.676 21.401 0.00 0.00 WAT1 ATOM 5965 H2 TIP3 1186 21.462 -40.427 20.859 0.00 0.00 WAT1 ATOM 5966 OH2 TIP3 1187 21.683 -36.600 19.212 0.00 0.00 WAT1 ATOM 5967 H1 TIP3 1187 21.313 -37.402 18.843 0.00 0.00 WAT1 ATOM 5968 H2 TIP3 1187 22.624 -36.769 19.259 0.00 0.00 WAT1 ATOM 5969 OH2 TIP3 1188 19.696 -43.340 17.852 0.00 0.00 WAT1 ATOM 5970 H1 TIP3 1188 20.350 -43.890 18.284 0.00 0.00 WAT1 ATOM 5971 H2 TIP3 1188 19.720 -43.614 16.936 0.00 0.00 WAT1 ATOM 5972 OH2 TIP3 1189 24.852 -41.790 17.068 0.00 0.00 WAT1 ATOM 5973 H1 TIP3 1189 25.468 -42.316 17.577 0.00 0.00 WAT1 ATOM 5974 H2 TIP3 1189 24.266 -42.430 16.664 0.00 0.00 WAT1 ATOM 5975 OH2 TIP3 1190 23.230 -39.836 15.952 0.00 0.00 WAT1 ATOM 5976 H1 TIP3 1190 22.900 -40.206 15.133 0.00 0.00 WAT1 ATOM 5977 H2 TIP3 1190 23.818 -40.506 16.298 0.00 0.00 WAT1 ATOM 5978 OH2 TIP3 1191 23.597 -41.067 19.585 0.00 0.00 WAT1 ATOM 5979 H1 TIP3 1191 24.162 -40.946 18.822 0.00 0.00 WAT1 ATOM 5980 H2 TIP3 1191 23.916 -40.430 20.224 0.00 0.00 WAT1 ATOM 5981 OH2 TIP3 1192 22.220 -40.766 13.541 0.00 0.00 WAT1 ATOM 5982 H1 TIP3 1192 21.928 -39.998 13.050 0.00 0.00 WAT1 ATOM 5983 H2 TIP3 1192 21.546 -41.426 13.378 0.00 0.00 WAT1 ATOM 5984 OH2 TIP3 1193 18.313 -38.403 22.356 0.00 0.00 WAT1 ATOM 5985 H1 TIP3 1193 17.812 -38.431 21.541 0.00 0.00 WAT1 ATOM 5986 H2 TIP3 1193 18.319 -39.309 22.666 0.00 0.00 WAT1 ATOM 5987 OH2 TIP3 1194 18.064 -35.623 19.240 0.00 0.00 WAT1 ATOM 5988 H1 TIP3 1194 19.010 -35.767 19.221 0.00 0.00 WAT1 ATOM 5989 H2 TIP3 1194 17.951 -34.839 19.777 0.00 0.00 WAT1 ATOM 5990 OH2 TIP3 1195 21.308 -32.822 15.385 0.00 0.00 WAT1 ATOM 5991 H1 TIP3 1195 21.460 -33.170 16.264 0.00 0.00 WAT1 ATOM 5992 H2 TIP3 1195 20.457 -33.178 15.130 0.00 0.00 WAT1 ATOM 5993 OH2 TIP3 1196 23.269 -43.423 15.402 0.00 0.00 WAT1 ATOM 5994 H1 TIP3 1196 22.376 -43.764 15.343 0.00 0.00 WAT1 ATOM 5995 H2 TIP3 1196 23.720 -43.800 14.646 0.00 0.00 WAT1 ATOM 5996 OH2 TIP3 1197 17.630 -46.208 16.207 0.00 0.00 WAT1 ATOM 5997 H1 TIP3 1197 18.261 -46.237 16.927 0.00 0.00 WAT1 ATOM 5998 H2 TIP3 1197 18.080 -46.633 15.477 0.00 0.00 WAT1 ATOM 5999 OH2 TIP3 1198 18.905 -45.462 11.631 0.00 0.00 WAT1 ATOM 6000 H1 TIP3 1198 19.379 -44.871 11.046 0.00 0.00 WAT1 ATOM 6001 H2 TIP3 1198 18.187 -44.931 11.978 0.00 0.00 WAT1 ATOM 6002 OH2 TIP3 1199 20.679 -44.367 15.315 0.00 0.00 WAT1 ATOM 6003 H1 TIP3 1199 19.790 -44.267 14.975 0.00 0.00 WAT1 ATOM 6004 H2 TIP3 1199 20.975 -45.209 14.969 0.00 0.00 WAT1 ATOM 6005 OH2 TIP3 1200 23.006 -43.172 10.538 0.00 0.00 WAT1 ATOM 6006 H1 TIP3 1200 22.464 -43.552 9.847 0.00 0.00 WAT1 ATOM 6007 H2 TIP3 1200 23.840 -42.978 10.109 0.00 0.00 WAT1 ATOM 6008 OH2 TIP3 1201 21.466 -39.312 18.243 0.00 0.00 WAT1 ATOM 6009 H1 TIP3 1201 22.211 -39.314 17.642 0.00 0.00 WAT1 ATOM 6010 H2 TIP3 1201 21.544 -40.136 18.725 0.00 0.00 WAT1 ATOM 6011 OH2 TIP3 1202 18.474 -40.851 23.558 0.00 0.00 WAT1 ATOM 6012 H1 TIP3 1202 18.697 -41.269 24.390 0.00 0.00 WAT1 ATOM 6013 H2 TIP3 1202 17.872 -41.464 23.136 0.00 0.00 WAT1 ATOM 6014 OH2 TIP3 1203 23.841 -35.794 15.648 0.00 0.00 WAT1 ATOM 6015 H1 TIP3 1203 24.368 -35.021 15.447 0.00 0.00 WAT1 ATOM 6016 H2 TIP3 1203 22.961 -35.569 15.346 0.00 0.00 WAT1 ATOM 6017 OH2 TIP3 1204 19.596 -40.932 10.235 0.00 0.00 WAT1 ATOM 6018 H1 TIP3 1204 20.212 -40.305 10.614 0.00 0.00 WAT1 ATOM 6019 H2 TIP3 1204 18.734 -40.616 10.506 0.00 0.00 WAT1 ATOM 6020 OH2 TIP3 1205 25.268 -38.131 15.224 0.00 0.00 WAT1 ATOM 6021 H1 TIP3 1205 25.027 -37.206 15.266 0.00 0.00 WAT1 ATOM 6022 H2 TIP3 1205 24.528 -38.590 15.620 0.00 0.00 WAT1 ATOM 6023 OH2 TIP3 1206 23.952 -33.109 14.769 0.00 0.00 WAT1 ATOM 6024 H1 TIP3 1206 23.002 -33.004 14.821 0.00 0.00 WAT1 ATOM 6025 H2 TIP3 1206 24.303 -32.289 15.114 0.00 0.00 WAT1 ATOM 6026 OH2 TIP3 1207 20.108 -46.098 23.116 0.00 0.00 WAT1 ATOM 6027 H1 TIP3 1207 19.215 -45.759 23.049 0.00 0.00 WAT1 ATOM 6028 H2 TIP3 1207 20.009 -46.953 23.534 0.00 0.00 WAT1 ATOM 6029 OH2 TIP3 1208 19.759 -34.293 21.551 0.00 0.00 WAT1 ATOM 6030 H1 TIP3 1208 19.976 -35.225 21.520 0.00 0.00 WAT1 ATOM 6031 H2 TIP3 1208 20.006 -34.019 22.435 0.00 0.00 WAT1 ATOM 6032 OH2 TIP3 1209 24.558 -36.272 11.217 0.00 0.00 WAT1 ATOM 6033 H1 TIP3 1209 24.705 -36.792 12.007 0.00 0.00 WAT1 ATOM 6034 H2 TIP3 1209 24.555 -35.365 11.523 0.00 0.00 WAT1 ATOM 6035 OH2 TIP3 1210 21.011 -39.019 11.727 0.00 0.00 WAT1 ATOM 6036 H1 TIP3 1210 20.325 -38.667 12.294 0.00 0.00 WAT1 ATOM 6037 H2 TIP3 1210 21.534 -38.256 11.481 0.00 0.00 WAT1 ATOM 6038 OH2 TIP3 1211 24.634 -33.531 11.948 0.00 0.00 WAT1 ATOM 6039 H1 TIP3 1211 24.795 -32.731 11.447 0.00 0.00 WAT1 ATOM 6040 H2 TIP3 1211 24.437 -33.224 12.833 0.00 0.00 WAT1 ATOM 6041 OH2 TIP3 1212 21.627 -36.405 10.624 0.00 0.00 WAT1 ATOM 6042 H1 TIP3 1212 22.219 -35.706 10.900 0.00 0.00 WAT1 ATOM 6043 H2 TIP3 1212 22.086 -36.838 9.905 0.00 0.00 WAT1 ATOM 6044 OH2 TIP3 1213 19.943 -43.741 9.740 0.00 0.00 WAT1 ATOM 6045 H1 TIP3 1213 19.898 -42.802 9.919 0.00 0.00 WAT1 ATOM 6046 H2 TIP3 1213 19.055 -43.977 9.470 0.00 0.00 WAT1 ATOM 6047 OH2 TIP3 1214 18.970 -32.406 25.904 0.00 0.00 WAT1 ATOM 6048 H1 TIP3 1214 19.510 -32.623 26.663 0.00 0.00 WAT1 ATOM 6049 H2 TIP3 1214 18.489 -33.212 25.714 0.00 0.00 WAT1 ATOM 6050 OH2 TIP3 1215 23.218 -38.252 8.990 0.00 0.00 WAT1 ATOM 6051 H1 TIP3 1215 23.282 -39.046 9.521 0.00 0.00 WAT1 ATOM 6052 H2 TIP3 1215 23.871 -38.371 8.301 0.00 0.00 WAT1 ATOM 6053 OH2 TIP3 1216 24.367 -40.280 11.296 0.00 0.00 WAT1 ATOM 6054 H1 TIP3 1216 23.908 -40.764 11.982 0.00 0.00 WAT1 ATOM 6055 H2 TIP3 1216 24.622 -40.948 10.660 0.00 0.00 WAT1 ATOM 6056 OH2 TIP3 1217 25.336 -31.346 10.560 0.00 0.00 WAT1 ATOM 6057 H1 TIP3 1217 26.269 -31.188 10.704 0.00 0.00 WAT1 ATOM 6058 H2 TIP3 1217 25.072 -30.671 9.935 0.00 0.00 WAT1 ATOM 6059 OH2 TIP3 1218 18.503 -40.161 19.376 0.00 0.00 WAT1 ATOM 6060 H1 TIP3 1218 18.687 -40.243 18.441 0.00 0.00 WAT1 ATOM 6061 H2 TIP3 1218 19.352 -40.285 19.800 0.00 0.00 WAT1 ATOM 6062 OH2 TIP3 1219 18.101 -44.890 25.517 0.00 0.00 WAT1 ATOM 6063 H1 TIP3 1219 19.020 -45.012 25.753 0.00 0.00 WAT1 ATOM 6064 H2 TIP3 1219 17.651 -45.640 25.906 0.00 0.00 WAT1 ATOM 6065 OH2 TIP3 1220 19.322 -46.578 18.408 0.00 0.00 WAT1 ATOM 6066 H1 TIP3 1220 19.767 -47.370 18.710 0.00 0.00 WAT1 ATOM 6067 H2 TIP3 1220 19.788 -45.862 18.839 0.00 0.00 WAT1 ATOM 6068 OH2 TIP3 1221 17.626 -43.579 19.477 0.00 0.00 WAT1 ATOM 6069 H1 TIP3 1221 18.118 -43.800 18.687 0.00 0.00 WAT1 ATOM 6070 H2 TIP3 1221 17.988 -42.738 19.758 0.00 0.00 WAT1 ATOM 6071 OH2 TIP3 1222 17.939 -47.321 13.532 0.00 0.00 WAT1 ATOM 6072 H1 TIP3 1222 17.014 -47.112 13.402 0.00 0.00 WAT1 ATOM 6073 H2 TIP3 1222 18.393 -46.837 12.842 0.00 0.00 WAT1 ATOM 6074 OH2 TIP3 1223 17.903 -48.583 21.876 0.00 0.00 WAT1 ATOM 6075 H1 TIP3 1223 17.238 -48.829 22.519 0.00 0.00 WAT1 ATOM 6076 H2 TIP3 1223 17.460 -47.961 21.299 0.00 0.00 WAT1 ATOM 6077 OH2 TIP3 1224 20.451 -31.177 22.326 0.00 0.00 WAT1 ATOM 6078 H1 TIP3 1224 19.731 -30.737 21.875 0.00 0.00 WAT1 ATOM 6079 H2 TIP3 1224 20.085 -31.428 23.175 0.00 0.00 WAT1 ATOM 6080 OH2 TIP3 1225 19.866 -32.554 19.237 0.00 0.00 WAT1 ATOM 6081 H1 TIP3 1225 19.847 -32.979 20.094 0.00 0.00 WAT1 ATOM 6082 H2 TIP3 1225 20.671 -32.872 18.828 0.00 0.00 WAT1 ATOM 6083 OH2 TIP3 1226 22.007 -33.844 17.892 0.00 0.00 WAT1 ATOM 6084 H1 TIP3 1226 21.788 -34.760 18.061 0.00 0.00 WAT1 ATOM 6085 H2 TIP3 1226 22.831 -33.704 18.358 0.00 0.00 WAT1 ATOM 6086 OH2 TIP3 1227 19.216 -49.278 11.510 0.00 0.00 WAT1 ATOM 6087 H1 TIP3 1227 19.655 -48.667 10.919 0.00 0.00 WAT1 ATOM 6088 H2 TIP3 1227 18.582 -48.740 11.984 0.00 0.00 WAT1 ATOM 6089 OH2 TIP3 1228 21.077 -47.362 9.953 0.00 0.00 WAT1 ATOM 6090 H1 TIP3 1228 21.568 -47.992 9.425 0.00 0.00 WAT1 ATOM 6091 H2 TIP3 1228 21.700 -47.066 10.616 0.00 0.00 WAT1 ATOM 6092 OH2 TIP3 1229 20.935 -32.410 9.433 0.00 0.00 WAT1 ATOM 6093 H1 TIP3 1229 20.667 -32.123 10.306 0.00 0.00 WAT1 ATOM 6094 H2 TIP3 1229 21.706 -32.956 9.585 0.00 0.00 WAT1 ATOM 6095 OH2 TIP3 1230 18.293 -24.084 -4.251 0.00 0.00 WAT1 ATOM 6096 H1 TIP3 1230 17.845 -23.238 -4.269 0.00 0.00 WAT1 ATOM 6097 H2 TIP3 1230 17.732 -24.664 -4.766 0.00 0.00 WAT1 ATOM 6098 OH2 TIP3 1231 19.003 -21.922 -2.125 0.00 0.00 WAT1 ATOM 6099 H1 TIP3 1231 19.217 -22.692 -1.598 0.00 0.00 WAT1 ATOM 6100 H2 TIP3 1231 19.741 -21.833 -2.728 0.00 0.00 WAT1 ATOM 6101 OH2 TIP3 1232 26.780 -19.376 0.634 0.00 0.00 WAT1 ATOM 6102 H1 TIP3 1232 27.084 -20.062 0.040 0.00 0.00 WAT1 ATOM 6103 H2 TIP3 1232 27.502 -19.258 1.252 0.00 0.00 WAT1 ATOM 6104 OH2 TIP3 1233 23.076 -26.881 -1.766 0.00 0.00 WAT1 ATOM 6105 H1 TIP3 1233 23.119 -26.021 -2.184 0.00 0.00 WAT1 ATOM 6106 H2 TIP3 1233 22.618 -27.433 -2.399 0.00 0.00 WAT1 ATOM 6107 OH2 TIP3 1234 19.696 -24.484 -1.004 0.00 0.00 WAT1 ATOM 6108 H1 TIP3 1234 20.350 -25.034 -0.572 0.00 0.00 WAT1 ATOM 6109 H2 TIP3 1234 19.720 -24.758 -1.920 0.00 0.00 WAT1 ATOM 6110 OH2 TIP3 1235 24.455 -20.287 2.596 0.00 0.00 WAT1 ATOM 6111 H1 TIP3 1235 23.715 -19.689 2.699 0.00 0.00 WAT1 ATOM 6112 H2 TIP3 1235 25.169 -19.733 2.280 0.00 0.00 WAT1 ATOM 6113 OH2 TIP3 1236 25.912 -30.657 -0.239 0.00 0.00 WAT1 ATOM 6114 H1 TIP3 1236 25.795 -31.606 -0.293 0.00 0.00 WAT1 ATOM 6115 H2 TIP3 1236 25.057 -30.325 0.034 0.00 0.00 WAT1 ATOM 6116 OH2 TIP3 1237 23.230 -20.980 -2.904 0.00 0.00 WAT1 ATOM 6117 H1 TIP3 1237 22.900 -21.350 -3.723 0.00 0.00 WAT1 ATOM 6118 H2 TIP3 1237 23.818 -21.650 -2.558 0.00 0.00 WAT1 ATOM 6119 OH2 TIP3 1238 24.597 -17.552 -0.223 0.00 0.00 WAT1 ATOM 6120 H1 TIP3 1238 24.502 -18.130 -0.980 0.00 0.00 WAT1 ATOM 6121 H2 TIP3 1238 25.326 -17.923 0.273 0.00 0.00 WAT1 ATOM 6122 OH2 TIP3 1239 23.597 -22.211 0.729 0.00 0.00 WAT1 ATOM 6123 H1 TIP3 1239 24.162 -22.090 -0.034 0.00 0.00 WAT1 ATOM 6124 H2 TIP3 1239 23.916 -21.574 1.368 0.00 0.00 WAT1 ATOM 6125 OH2 TIP3 1240 22.716 -15.740 6.210 0.00 0.00 WAT1 ATOM 6126 H1 TIP3 1240 22.724 -15.876 5.262 0.00 0.00 WAT1 ATOM 6127 H2 TIP3 1240 21.800 -15.858 6.462 0.00 0.00 WAT1 ATOM 6128 OH2 TIP3 1241 27.240 -16.527 4.942 0.00 0.00 WAT1 ATOM 6129 H1 TIP3 1241 27.327 -15.701 5.417 0.00 0.00 WAT1 ATOM 6130 H2 TIP3 1241 26.376 -16.857 5.191 0.00 0.00 WAT1 ATOM 6131 OH2 TIP3 1242 21.308 -13.966 -3.471 0.00 0.00 WAT1 ATOM 6132 H1 TIP3 1242 21.460 -14.314 -2.592 0.00 0.00 WAT1 ATOM 6133 H2 TIP3 1242 20.457 -14.322 -3.726 0.00 0.00 WAT1 ATOM 6134 OH2 TIP3 1243 23.272 -24.788 1.634 0.00 0.00 WAT1 ATOM 6135 H1 TIP3 1243 22.630 -24.829 2.343 0.00 0.00 WAT1 ATOM 6136 H2 TIP3 1243 23.309 -23.862 1.396 0.00 0.00 WAT1 ATOM 6137 OH2 TIP3 1244 23.269 -24.567 -3.454 0.00 0.00 WAT1 ATOM 6138 H1 TIP3 1244 22.376 -24.908 -3.513 0.00 0.00 WAT1 ATOM 6139 H2 TIP3 1244 23.720 -24.944 -4.210 0.00 0.00 WAT1 ATOM 6140 OH2 TIP3 1245 27.907 -23.976 6.851 0.00 0.00 WAT1 ATOM 6141 H1 TIP3 1245 27.344 -24.680 7.171 0.00 0.00 WAT1 ATOM 6142 H2 TIP3 1245 28.733 -24.096 7.318 0.00 0.00 WAT1 ATOM 6143 OH2 TIP3 1246 17.630 -27.352 -2.649 0.00 0.00 WAT1 ATOM 6144 H1 TIP3 1246 18.261 -27.381 -1.929 0.00 0.00 WAT1 ATOM 6145 H2 TIP3 1246 18.080 -27.777 -3.379 0.00 0.00 WAT1 ATOM 6146 OH2 TIP3 1247 18.905 -26.606 -7.225 0.00 0.00 WAT1 ATOM 6147 H1 TIP3 1247 19.379 -26.015 -7.810 0.00 0.00 WAT1 ATOM 6148 H2 TIP3 1247 18.187 -26.075 -6.878 0.00 0.00 WAT1 ATOM 6149 OH2 TIP3 1248 25.851 -27.140 -2.368 0.00 0.00 WAT1 ATOM 6150 H1 TIP3 1248 24.940 -27.083 -2.079 0.00 0.00 WAT1 ATOM 6151 H2 TIP3 1248 26.356 -27.200 -1.557 0.00 0.00 WAT1 ATOM 6152 OH2 TIP3 1249 20.679 -25.511 -3.541 0.00 0.00 WAT1 ATOM 6153 H1 TIP3 1249 19.790 -25.411 -3.881 0.00 0.00 WAT1 ATOM 6154 H2 TIP3 1249 20.975 -26.353 -3.887 0.00 0.00 WAT1 ATOM 6155 OH2 TIP3 1250 22.173 -28.216 -4.063 0.00 0.00 WAT1 ATOM 6156 H1 TIP3 1250 21.856 -29.118 -4.098 0.00 0.00 WAT1 ATOM 6157 H2 TIP3 1250 22.954 -28.214 -4.615 0.00 0.00 WAT1 ATOM 6158 OH2 TIP3 1251 25.797 -25.964 1.933 0.00 0.00 WAT1 ATOM 6159 H1 TIP3 1251 24.962 -25.510 2.043 0.00 0.00 WAT1 ATOM 6160 H2 TIP3 1251 26.321 -25.688 2.685 0.00 0.00 WAT1 ATOM 6161 OH2 TIP3 1252 27.861 -19.567 4.855 0.00 0.00 WAT1 ATOM 6162 H1 TIP3 1252 27.515 -19.948 5.661 0.00 0.00 WAT1 ATOM 6163 H2 TIP3 1252 27.661 -18.633 4.926 0.00 0.00 WAT1 ATOM 6164 OH2 TIP3 1253 21.466 -20.456 -0.613 0.00 0.00 WAT1 ATOM 6165 H1 TIP3 1253 22.211 -20.458 -1.214 0.00 0.00 WAT1 ATOM 6166 H2 TIP3 1253 21.544 -21.280 -0.131 0.00 0.00 WAT1 ATOM 6167 OH2 TIP3 1254 23.841 -16.938 -3.208 0.00 0.00 WAT1 ATOM 6168 H1 TIP3 1254 24.368 -16.165 -3.409 0.00 0.00 WAT1 ATOM 6169 H2 TIP3 1254 22.961 -16.713 -3.510 0.00 0.00 WAT1 ATOM 6170 OH2 TIP3 1255 25.783 -15.126 2.683 0.00 0.00 WAT1 ATOM 6171 H1 TIP3 1255 26.146 -14.271 2.450 0.00 0.00 WAT1 ATOM 6172 H2 TIP3 1255 26.315 -15.418 3.424 0.00 0.00 WAT1 ATOM 6173 OH2 TIP3 1256 27.363 -25.135 4.267 0.00 0.00 WAT1 ATOM 6174 H1 TIP3 1256 27.482 -24.561 5.024 0.00 0.00 WAT1 ATOM 6175 H2 TIP3 1256 28.018 -25.823 4.382 0.00 0.00 WAT1 ATOM 6176 OH2 TIP3 1257 23.368 -27.977 -7.292 0.00 0.00 WAT1 ATOM 6177 H1 TIP3 1257 23.285 -27.088 -6.946 0.00 0.00 WAT1 ATOM 6178 H2 TIP3 1257 24.258 -28.242 -7.061 0.00 0.00 WAT1 ATOM 6179 OH2 TIP3 1258 19.681 -16.163 -4.282 0.00 0.00 WAT1 ATOM 6180 H1 TIP3 1258 18.849 -15.690 -4.255 0.00 0.00 WAT1 ATOM 6181 H2 TIP3 1258 20.227 -15.653 -4.881 0.00 0.00 WAT1 ATOM 6182 OH2 TIP3 1259 18.970 -13.550 7.048 0.00 0.00 WAT1 ATOM 6183 H1 TIP3 1259 19.510 -13.767 7.807 0.00 0.00 WAT1 ATOM 6184 H2 TIP3 1259 18.489 -14.356 6.858 0.00 0.00 WAT1 ATOM 6185 OH2 TIP3 1260 23.567 -14.631 8.668 0.00 0.00 WAT1 ATOM 6186 H1 TIP3 1260 24.335 -15.090 9.009 0.00 0.00 WAT1 ATOM 6187 H2 TIP3 1260 23.546 -14.857 7.738 0.00 0.00 WAT1 ATOM 6188 OH2 TIP3 1261 28.676 -21.060 8.074 0.00 0.00 WAT1 ATOM 6189 H1 TIP3 1261 29.629 -20.976 8.046 0.00 0.00 WAT1 ATOM 6190 H2 TIP3 1261 28.516 -21.771 8.693 0.00 0.00 WAT1 ATOM 6191 OH2 TIP3 1262 23.996 -26.176 5.879 0.00 0.00 WAT1 ATOM 6192 H1 TIP3 1262 24.146 -26.905 5.276 0.00 0.00 WAT1 ATOM 6193 H2 TIP3 1262 23.998 -25.399 5.320 0.00 0.00 WAT1 ATOM 6194 OH2 TIP3 1263 24.408 -27.806 3.371 0.00 0.00 WAT1 ATOM 6195 H1 TIP3 1263 24.944 -27.355 2.719 0.00 0.00 WAT1 ATOM 6196 H2 TIP3 1263 23.556 -27.914 2.949 0.00 0.00 WAT1 ATOM 6197 OH2 TIP3 1264 25.990 -22.367 3.611 0.00 0.00 WAT1 ATOM 6198 H1 TIP3 1264 26.741 -22.523 3.038 0.00 0.00 WAT1 ATOM 6199 H2 TIP3 1264 25.651 -21.515 3.335 0.00 0.00 WAT1 ATOM 6200 OH2 TIP3 1265 25.214 -30.350 3.803 0.00 0.00 WAT1 ATOM 6201 H1 TIP3 1265 25.116 -29.403 3.697 0.00 0.00 WAT1 ATOM 6202 H2 TIP3 1265 24.471 -30.722 3.327 0.00 0.00 WAT1 ATOM 6203 OH2 TIP3 1266 26.478 -26.028 7.366 0.00 0.00 WAT1 ATOM 6204 H1 TIP3 1266 26.242 -26.248 8.268 0.00 0.00 WAT1 ATOM 6205 H2 TIP3 1266 25.695 -26.235 6.857 0.00 0.00 WAT1 ATOM 6206 OH2 TIP3 1267 25.436 -31.056 6.474 0.00 0.00 WAT1 ATOM 6207 H1 TIP3 1267 26.148 -31.696 6.460 0.00 0.00 WAT1 ATOM 6208 H2 TIP3 1267 25.335 -30.789 5.560 0.00 0.00 WAT1 ATOM 6209 OH2 TIP3 1268 25.789 -29.373 8.528 0.00 0.00 WAT1 ATOM 6210 H1 TIP3 1268 25.658 -29.849 7.707 0.00 0.00 WAT1 ATOM 6211 H2 TIP3 1268 25.190 -28.629 8.472 0.00 0.00 WAT1 ATOM 6212 OH2 TIP3 1269 17.553 -12.461 -3.736 0.00 0.00 WAT1 ATOM 6213 H1 TIP3 1269 16.906 -12.923 -4.269 0.00 0.00 WAT1 ATOM 6214 H2 TIP3 1269 17.908 -13.133 -3.153 0.00 0.00 WAT1 ATOM 6215 OH2 TIP3 1270 18.423 -14.380 -1.931 0.00 0.00 WAT1 ATOM 6216 H1 TIP3 1270 18.089 -15.261 -1.759 0.00 0.00 WAT1 ATOM 6217 H2 TIP3 1270 18.645 -14.035 -1.067 0.00 0.00 WAT1 ATOM 6218 OH2 TIP3 1271 17.939 -28.465 -5.324 0.00 0.00 WAT1 ATOM 6219 H1 TIP3 1271 17.014 -28.256 -5.454 0.00 0.00 WAT1 ATOM 6220 H2 TIP3 1271 18.393 -27.981 -6.014 0.00 0.00 WAT1 ATOM 6221 OH2 TIP3 1272 20.451 -12.321 3.470 0.00 0.00 WAT1 ATOM 6222 H1 TIP3 1272 19.731 -11.881 3.019 0.00 0.00 WAT1 ATOM 6223 H2 TIP3 1272 20.085 -12.572 4.319 0.00 0.00 WAT1 ATOM 6224 OH2 TIP3 1273 22.918 -12.721 2.500 0.00 0.00 WAT1 ATOM 6225 H1 TIP3 1273 22.053 -12.649 2.904 0.00 0.00 WAT1 ATOM 6226 H2 TIP3 1273 22.863 -12.174 1.716 0.00 0.00 WAT1 ATOM 6227 OH2 TIP3 1274 19.866 -13.698 0.381 0.00 0.00 WAT1 ATOM 6228 H1 TIP3 1274 19.847 -14.123 1.238 0.00 0.00 WAT1 ATOM 6229 H2 TIP3 1274 20.671 -14.016 -0.028 0.00 0.00 WAT1 ATOM 6230 OH2 TIP3 1275 22.007 -14.988 -0.964 0.00 0.00 WAT1 ATOM 6231 H1 TIP3 1275 21.788 -15.904 -0.795 0.00 0.00 WAT1 ATOM 6232 H2 TIP3 1275 22.831 -14.848 -0.498 0.00 0.00 WAT1 ATOM 6233 OH2 TIP3 1276 24.544 -14.518 -0.116 0.00 0.00 WAT1 ATOM 6234 H1 TIP3 1276 24.757 -15.406 -0.403 0.00 0.00 WAT1 ATOM 6235 H2 TIP3 1276 24.609 -14.552 0.839 0.00 0.00 WAT1 ATOM 6236 OH2 TIP3 1277 19.216 -30.422 -7.346 0.00 0.00 WAT1 ATOM 6237 H1 TIP3 1277 19.655 -29.811 -7.937 0.00 0.00 WAT1 ATOM 6238 H2 TIP3 1277 18.582 -29.884 -6.872 0.00 0.00 WAT1 ATOM 6239 OH2 TIP3 1278 24.959 -30.293 -3.336 0.00 0.00 WAT1 ATOM 6240 H1 TIP3 1278 25.833 -29.905 -3.366 0.00 0.00 WAT1 ATOM 6241 H2 TIP3 1278 24.823 -30.508 -2.413 0.00 0.00 WAT1 ATOM 6242 OH2 TIP3 1279 21.077 -28.506 -8.903 0.00 0.00 WAT1 ATOM 6243 H1 TIP3 1279 21.568 -29.136 -9.431 0.00 0.00 WAT1 ATOM 6244 H2 TIP3 1279 21.700 -28.210 -8.240 0.00 0.00 WAT1 ATOM 6245 OH2 TIP3 1280 22.310 -30.355 7.904 0.00 0.00 WAT1 ATOM 6246 H1 TIP3 1280 23.209 -30.629 7.719 0.00 0.00 WAT1 ATOM 6247 H2 TIP3 1280 21.924 -31.098 8.368 0.00 0.00 WAT1 ATOM 6248 OH2 TIP3 1281 29.458 -21.064 15.665 0.00 0.00 WAT1 ATOM 6249 H1 TIP3 1281 29.547 -20.120 15.533 0.00 0.00 WAT1 ATOM 6250 H2 TIP3 1281 28.819 -21.339 15.007 0.00 0.00 WAT1 ATOM 6251 OH2 TIP3 1282 20.759 -22.194 20.677 0.00 0.00 WAT1 ATOM 6252 H1 TIP3 1282 20.801 -22.820 21.401 0.00 0.00 WAT1 ATOM 6253 H2 TIP3 1282 21.462 -21.571 20.859 0.00 0.00 WAT1 ATOM 6254 OH2 TIP3 1283 21.683 -17.744 19.212 0.00 0.00 WAT1 ATOM 6255 H1 TIP3 1283 21.313 -18.546 18.843 0.00 0.00 WAT1 ATOM 6256 H2 TIP3 1283 22.624 -17.913 19.259 0.00 0.00 WAT1 ATOM 6257 OH2 TIP3 1284 18.293 -24.084 14.605 0.00 0.00 WAT1 ATOM 6258 H1 TIP3 1284 17.845 -23.238 14.587 0.00 0.00 WAT1 ATOM 6259 H2 TIP3 1284 17.732 -24.664 14.090 0.00 0.00 WAT1 ATOM 6260 OH2 TIP3 1285 19.003 -21.922 16.731 0.00 0.00 WAT1 ATOM 6261 H1 TIP3 1285 19.217 -22.692 17.258 0.00 0.00 WAT1 ATOM 6262 H2 TIP3 1285 19.741 -21.833 16.128 0.00 0.00 WAT1 ATOM 6263 OH2 TIP3 1286 23.076 -26.881 17.090 0.00 0.00 WAT1 ATOM 6264 H1 TIP3 1286 23.119 -26.021 16.672 0.00 0.00 WAT1 ATOM 6265 H2 TIP3 1286 22.618 -27.433 16.457 0.00 0.00 WAT1 ATOM 6266 OH2 TIP3 1287 19.696 -24.484 17.852 0.00 0.00 WAT1 ATOM 6267 H1 TIP3 1287 20.350 -25.034 18.284 0.00 0.00 WAT1 ATOM 6268 H2 TIP3 1287 19.720 -24.758 16.936 0.00 0.00 WAT1 ATOM 6269 OH2 TIP3 1288 24.852 -22.934 17.068 0.00 0.00 WAT1 ATOM 6270 H1 TIP3 1288 25.468 -23.460 17.577 0.00 0.00 WAT1 ATOM 6271 H2 TIP3 1288 24.266 -23.574 16.664 0.00 0.00 WAT1 ATOM 6272 OH2 TIP3 1289 21.480 -26.071 19.117 0.00 0.00 WAT1 ATOM 6273 H1 TIP3 1289 22.093 -25.438 19.490 0.00 0.00 WAT1 ATOM 6274 H2 TIP3 1289 21.992 -26.543 18.460 0.00 0.00 WAT1 ATOM 6275 OH2 TIP3 1290 18.984 -18.652 13.021 0.00 0.00 WAT1 ATOM 6276 H1 TIP3 1290 18.712 -18.423 12.132 0.00 0.00 WAT1 ATOM 6277 H2 TIP3 1290 19.029 -17.814 13.481 0.00 0.00 WAT1 ATOM 6278 OH2 TIP3 1291 28.179 -21.820 13.117 0.00 0.00 WAT1 ATOM 6279 H1 TIP3 1291 27.467 -21.285 12.766 0.00 0.00 WAT1 ATOM 6280 H2 TIP3 1291 28.870 -21.764 12.457 0.00 0.00 WAT1 ATOM 6281 OH2 TIP3 1292 28.233 -23.362 10.156 0.00 0.00 WAT1 ATOM 6282 H1 TIP3 1292 28.934 -23.340 10.807 0.00 0.00 WAT1 ATOM 6283 H2 TIP3 1292 28.535 -23.990 9.500 0.00 0.00 WAT1 ATOM 6284 OH2 TIP3 1293 24.597 -17.552 18.633 0.00 0.00 WAT1 ATOM 6285 H1 TIP3 1293 24.502 -18.130 17.876 0.00 0.00 WAT1 ATOM 6286 H2 TIP3 1293 25.326 -17.923 19.129 0.00 0.00 WAT1 ATOM 6287 OH2 TIP3 1294 23.597 -22.211 19.585 0.00 0.00 WAT1 ATOM 6288 H1 TIP3 1294 24.162 -22.090 18.822 0.00 0.00 WAT1 ATOM 6289 H2 TIP3 1294 23.916 -21.574 20.224 0.00 0.00 WAT1 ATOM 6290 OH2 TIP3 1295 21.308 -13.966 15.385 0.00 0.00 WAT1 ATOM 6291 H1 TIP3 1295 21.460 -14.314 16.264 0.00 0.00 WAT1 ATOM 6292 H2 TIP3 1295 20.457 -14.322 15.130 0.00 0.00 WAT1 ATOM 6293 OH2 TIP3 1296 27.506 -27.539 10.054 0.00 0.00 WAT1 ATOM 6294 H1 TIP3 1296 27.252 -27.520 10.977 0.00 0.00 WAT1 ATOM 6295 H2 TIP3 1296 27.249 -28.411 9.753 0.00 0.00 WAT1 ATOM 6296 OH2 TIP3 1297 23.272 -24.788 20.490 0.00 0.00 WAT1 ATOM 6297 H1 TIP3 1297 22.630 -24.829 21.199 0.00 0.00 WAT1 ATOM 6298 H2 TIP3 1297 23.309 -23.862 20.252 0.00 0.00 WAT1 ATOM 6299 OH2 TIP3 1298 28.805 -24.151 14.219 0.00 0.00 WAT1 ATOM 6300 H1 TIP3 1298 28.396 -23.336 13.927 0.00 0.00 WAT1 ATOM 6301 H2 TIP3 1298 29.525 -24.291 13.604 0.00 0.00 WAT1 ATOM 6302 OH2 TIP3 1299 24.388 -27.094 9.155 0.00 0.00 WAT1 ATOM 6303 H1 TIP3 1299 23.957 -27.539 9.885 0.00 0.00 WAT1 ATOM 6304 H2 TIP3 1299 23.670 -26.722 8.643 0.00 0.00 WAT1 ATOM 6305 OH2 TIP3 1300 17.630 -27.352 16.207 0.00 0.00 WAT1 ATOM 6306 H1 TIP3 1300 18.261 -27.381 16.927 0.00 0.00 WAT1 ATOM 6307 H2 TIP3 1300 18.080 -27.777 15.477 0.00 0.00 WAT1 ATOM 6308 OH2 TIP3 1301 25.851 -27.140 16.488 0.00 0.00 WAT1 ATOM 6309 H1 TIP3 1301 24.940 -27.083 16.777 0.00 0.00 WAT1 ATOM 6310 H2 TIP3 1301 26.356 -27.200 17.299 0.00 0.00 WAT1 ATOM 6311 OH2 TIP3 1302 27.171 -24.352 18.375 0.00 0.00 WAT1 ATOM 6312 H1 TIP3 1302 27.735 -24.899 17.828 0.00 0.00 WAT1 ATOM 6313 H2 TIP3 1302 27.023 -24.874 19.164 0.00 0.00 WAT1 ATOM 6314 OH2 TIP3 1303 22.173 -28.216 14.793 0.00 0.00 WAT1 ATOM 6315 H1 TIP3 1303 21.856 -29.118 14.758 0.00 0.00 WAT1 ATOM 6316 H2 TIP3 1303 22.954 -28.214 14.241 0.00 0.00 WAT1 ATOM 6317 OH2 TIP3 1304 26.341 -19.751 12.474 0.00 0.00 WAT1 ATOM 6318 H1 TIP3 1304 25.597 -20.258 12.151 0.00 0.00 WAT1 ATOM 6319 H2 TIP3 1304 26.207 -19.702 13.420 0.00 0.00 WAT1 ATOM 6320 OH2 TIP3 1305 21.466 -20.456 18.243 0.00 0.00 WAT1 ATOM 6321 H1 TIP3 1305 22.211 -20.458 17.642 0.00 0.00 WAT1 ATOM 6322 H2 TIP3 1305 21.544 -21.280 18.725 0.00 0.00 WAT1 ATOM 6323 OH2 TIP3 1306 28.467 -18.292 11.499 0.00 0.00 WAT1 ATOM 6324 H1 TIP3 1306 28.172 -17.466 11.881 0.00 0.00 WAT1 ATOM 6325 H2 TIP3 1306 27.764 -18.912 11.695 0.00 0.00 WAT1 ATOM 6326 OH2 TIP3 1307 23.841 -16.938 15.648 0.00 0.00 WAT1 ATOM 6327 H1 TIP3 1307 24.368 -16.165 15.447 0.00 0.00 WAT1 ATOM 6328 H2 TIP3 1307 22.961 -16.713 15.346 0.00 0.00 WAT1 ATOM 6329 OH2 TIP3 1308 25.268 -19.275 15.224 0.00 0.00 WAT1 ATOM 6330 H1 TIP3 1308 25.027 -18.350 15.266 0.00 0.00 WAT1 ATOM 6331 H2 TIP3 1308 24.528 -19.734 15.620 0.00 0.00 WAT1 ATOM 6332 OH2 TIP3 1309 23.952 -14.253 14.769 0.00 0.00 WAT1 ATOM 6333 H1 TIP3 1309 23.002 -14.148 14.821 0.00 0.00 WAT1 ATOM 6334 H2 TIP3 1309 24.303 -13.433 15.114 0.00 0.00 WAT1 ATOM 6335 OH2 TIP3 1310 20.108 -27.242 23.116 0.00 0.00 WAT1 ATOM 6336 H1 TIP3 1310 19.215 -26.903 23.049 0.00 0.00 WAT1 ATOM 6337 H2 TIP3 1310 20.009 -28.097 23.534 0.00 0.00 WAT1 ATOM 6338 OH2 TIP3 1311 25.621 -16.986 8.761 0.00 0.00 WAT1 ATOM 6339 H1 TIP3 1311 25.860 -17.734 8.213 0.00 0.00 WAT1 ATOM 6340 H2 TIP3 1311 25.352 -17.374 9.593 0.00 0.00 WAT1 ATOM 6341 OH2 TIP3 1312 24.558 -17.416 11.217 0.00 0.00 WAT1 ATOM 6342 H1 TIP3 1312 24.705 -17.936 12.007 0.00 0.00 WAT1 ATOM 6343 H2 TIP3 1312 24.555 -16.509 11.523 0.00 0.00 WAT1 ATOM 6344 OH2 TIP3 1313 27.296 -15.718 11.966 0.00 0.00 WAT1 ATOM 6345 H1 TIP3 1313 26.479 -15.221 12.019 0.00 0.00 WAT1 ATOM 6346 H2 TIP3 1313 27.825 -15.243 11.326 0.00 0.00 WAT1 ATOM 6347 OH2 TIP3 1314 26.827 -26.121 13.938 0.00 0.00 WAT1 ATOM 6348 H1 TIP3 1314 27.639 -25.617 13.984 0.00 0.00 WAT1 ATOM 6349 H2 TIP3 1314 26.582 -26.266 14.852 0.00 0.00 WAT1 ATOM 6350 OH2 TIP3 1315 24.634 -14.675 11.948 0.00 0.00 WAT1 ATOM 6351 H1 TIP3 1315 24.795 -13.875 11.447 0.00 0.00 WAT1 ATOM 6352 H2 TIP3 1315 24.437 -14.368 12.833 0.00 0.00 WAT1 ATOM 6353 OH2 TIP3 1316 23.368 -27.977 11.564 0.00 0.00 WAT1 ATOM 6354 H1 TIP3 1316 23.285 -27.088 11.910 0.00 0.00 WAT1 ATOM 6355 H2 TIP3 1316 24.258 -28.242 11.795 0.00 0.00 WAT1 ATOM 6356 OH2 TIP3 1317 20.751 -30.103 18.413 0.00 0.00 WAT1 ATOM 6357 H1 TIP3 1317 20.522 -30.044 17.486 0.00 0.00 WAT1 ATOM 6358 H2 TIP3 1317 20.308 -30.895 18.720 0.00 0.00 WAT1 ATOM 6359 OH2 TIP3 1318 19.681 -16.163 14.574 0.00 0.00 WAT1 ATOM 6360 H1 TIP3 1318 18.849 -15.690 14.601 0.00 0.00 WAT1 ATOM 6361 H2 TIP3 1318 20.227 -15.653 13.975 0.00 0.00 WAT1 ATOM 6362 OH2 TIP3 1319 27.659 -15.123 8.899 0.00 0.00 WAT1 ATOM 6363 H1 TIP3 1319 27.015 -15.754 9.221 0.00 0.00 WAT1 ATOM 6364 H2 TIP3 1319 28.421 -15.654 8.667 0.00 0.00 WAT1 ATOM 6365 OH2 TIP3 1320 28.570 -18.349 8.726 0.00 0.00 WAT1 ATOM 6366 H1 TIP3 1320 28.302 -18.169 9.627 0.00 0.00 WAT1 ATOM 6367 H2 TIP3 1320 28.364 -19.275 8.595 0.00 0.00 WAT1 ATOM 6368 OH2 TIP3 1321 25.336 -12.490 10.560 0.00 0.00 WAT1 ATOM 6369 H1 TIP3 1321 26.269 -12.332 10.704 0.00 0.00 WAT1 ATOM 6370 H2 TIP3 1321 25.072 -11.815 9.935 0.00 0.00 WAT1 ATOM 6371 OH2 TIP3 1322 18.503 -21.305 19.376 0.00 0.00 WAT1 ATOM 6372 H1 TIP3 1322 18.687 -21.387 18.441 0.00 0.00 WAT1 ATOM 6373 H2 TIP3 1322 19.352 -21.429 19.800 0.00 0.00 WAT1 ATOM 6374 OH2 TIP3 1323 18.101 -26.034 25.517 0.00 0.00 WAT1 ATOM 6375 H1 TIP3 1323 19.020 -26.156 25.753 0.00 0.00 WAT1 ATOM 6376 H2 TIP3 1323 17.651 -26.784 25.906 0.00 0.00 WAT1 ATOM 6377 OH2 TIP3 1324 19.322 -27.722 18.408 0.00 0.00 WAT1 ATOM 6378 H1 TIP3 1324 19.767 -28.514 18.710 0.00 0.00 WAT1 ATOM 6379 H2 TIP3 1324 19.788 -27.006 18.839 0.00 0.00 WAT1 ATOM 6380 OH2 TIP3 1325 17.626 -24.723 19.477 0.00 0.00 WAT1 ATOM 6381 H1 TIP3 1325 18.118 -24.944 18.687 0.00 0.00 WAT1 ATOM 6382 H2 TIP3 1325 17.988 -23.882 19.758 0.00 0.00 WAT1 ATOM 6383 OH2 TIP3 1326 17.903 -29.727 21.876 0.00 0.00 WAT1 ATOM 6384 H1 TIP3 1326 17.238 -29.973 22.519 0.00 0.00 WAT1 ATOM 6385 H2 TIP3 1326 17.460 -29.105 21.299 0.00 0.00 WAT1 ATOM 6386 OH2 TIP3 1327 20.379 -30.220 15.707 0.00 0.00 WAT1 ATOM 6387 H1 TIP3 1327 19.602 -30.454 15.199 0.00 0.00 WAT1 ATOM 6388 H2 TIP3 1327 20.910 -31.017 15.715 0.00 0.00 WAT1 ATOM 6389 OH2 TIP3 1328 24.959 -30.293 15.520 0.00 0.00 WAT1 ATOM 6390 H1 TIP3 1328 25.833 -29.905 15.490 0.00 0.00 WAT1 ATOM 6391 H2 TIP3 1328 24.823 -30.508 16.443 0.00 0.00 WAT1 ATOM 6392 OH2 TIP3 1329 19.117 -14.474 12.408 0.00 0.00 WAT1 ATOM 6393 H1 TIP3 1329 18.432 -14.512 11.740 0.00 0.00 WAT1 ATOM 6394 H2 TIP3 1329 19.120 -13.561 12.696 0.00 0.00 WAT1 ATOM 6395 OH2 TIP3 1330 26.103 -28.213 12.410 0.00 0.00 WAT1 ATOM 6396 H1 TIP3 1330 26.281 -28.859 13.093 0.00 0.00 WAT1 ATOM 6397 H2 TIP3 1330 26.049 -27.379 12.877 0.00 0.00 WAT1 ATOM 6398 OH2 TIP3 1331 20.337 -29.706 25.224 0.00 0.00 WAT1 ATOM 6399 H1 TIP3 1331 19.971 -30.471 25.667 0.00 0.00 WAT1 ATOM 6400 H2 TIP3 1331 21.250 -29.677 25.511 0.00 0.00 WAT1 ATOM 6401 OH2 TIP3 1332 20.935 -13.554 9.433 0.00 0.00 WAT1 ATOM 6402 H1 TIP3 1332 20.667 -13.267 10.306 0.00 0.00 WAT1 ATOM 6403 H2 TIP3 1332 21.706 -14.100 9.585 0.00 0.00 WAT1 ATOM 6404 OH2 TIP3 1333 20.751 -11.247 -0.443 0.00 0.00 WAT1 ATOM 6405 H1 TIP3 1333 20.522 -11.188 -1.370 0.00 0.00 WAT1 ATOM 6406 H2 TIP3 1333 20.308 -12.039 -0.136 0.00 0.00 WAT1 ATOM 6407 OH2 TIP3 1334 17.903 -10.871 3.020 0.00 0.00 WAT1 ATOM 6408 H1 TIP3 1334 17.238 -11.117 3.663 0.00 0.00 WAT1 ATOM 6409 H2 TIP3 1334 17.460 -10.249 2.443 0.00 0.00 WAT1 ATOM 6410 OH2 TIP3 1335 20.337 -10.850 6.368 0.00 0.00 WAT1 ATOM 6411 H1 TIP3 1335 19.971 -11.615 6.811 0.00 0.00 WAT1 ATOM 6412 H2 TIP3 1335 21.250 -10.821 6.655 0.00 0.00 WAT1 ATOM 6413 OH2 TIP3 1336 22.310 -11.499 7.904 0.00 0.00 WAT1 ATOM 6414 H1 TIP3 1336 23.209 -11.773 7.719 0.00 0.00 WAT1 ATOM 6415 H2 TIP3 1336 21.924 -12.242 8.368 0.00 0.00 WAT1 ATOM 6416 OH2 TIP3 1337 19.216 -11.566 11.510 0.00 0.00 WAT1 ATOM 6417 H1 TIP3 1337 19.655 -10.955 10.919 0.00 0.00 WAT1 ATOM 6418 H2 TIP3 1337 18.582 -11.028 11.984 0.00 0.00 WAT1 END