REMARK FINAL COORDINATES WRITTEN BY NAMD AT TIMESTEP 10000 ATOM 1 HA FOR 0 -0.308 -4.777 -0.864 1.00 0.00 GA1 ATOM 2 C FOR 0 0.117 -4.036 -0.256 1.00 0.00 GA1 ATOM 3 O FOR 0 -0.116 -4.061 0.949 1.00 0.00 GA1 ATOM 4 N VAL 1 0.922 -3.101 -0.771 1.00 0.00 GA1 ATOM 5 HN VAL 1 1.043 -3.114 -1.798 1.00 0.00 GA1 ATOM 6 CA VAL 1 1.795 -2.264 0.061 1.00 0.00 GA1 ATOM 7 HA VAL 1 1.748 -2.458 1.111 1.00 0.00 GA1 ATOM 8 CB VAL 1 3.249 -2.547 -0.258 1.00 0.00 GA1 ATOM 9 HB VAL 1 3.442 -2.523 -1.293 1.00 0.00 GA1 ATOM 10 CG1 VAL 1 4.183 -1.602 0.538 1.00 0.00 GA1 ATOM 11 HG11 VAL 1 5.246 -1.771 0.350 1.00 0.00 GA1 ATOM 12 HG12 VAL 1 3.968 -0.520 0.341 1.00 0.00 GA1 ATOM 13 HG13 VAL 1 4.038 -1.862 1.609 1.00 0.00 GA1 ATOM 14 CG2 VAL 1 3.508 -3.979 0.201 1.00 0.00 GA1 ATOM 15 HG21 VAL 1 4.509 -4.208 -0.024 1.00 0.00 GA1 ATOM 16 HG22 VAL 1 3.461 -4.179 1.318 1.00 0.00 GA1 ATOM 17 HG23 VAL 1 2.980 -4.786 -0.393 1.00 0.00 GA1 ATOM 18 C VAL 1 1.471 -0.797 -0.204 1.00 0.00 GA1 ATOM 19 O VAL 1 1.655 -0.250 -1.269 1.00 0.00 GA1 ATOM 20 N GLY 2 1.123 -0.019 0.856 1.00 0.00 GA1 ATOM 21 HN GLY 2 0.815 -0.444 1.675 1.00 0.00 GA1 ATOM 22 CA GLY 2 0.990 1.376 0.690 1.00 0.00 GA1 ATOM 23 HA1 GLY 2 0.710 1.641 -0.379 1.00 0.00 GA1 ATOM 24 HA2 GLY 2 1.945 1.735 0.977 1.00 0.00 GA1 ATOM 25 C GLY 2 0.050 2.057 1.592 1.00 0.00 GA1 ATOM 26 O GLY 2 -0.311 1.598 2.698 1.00 0.00 GA1 ATOM 27 N ALA 3 -0.231 3.254 1.220 1.00 0.00 GA1 ATOM 28 HN ALA 3 -0.109 3.555 0.276 1.00 0.00 GA1 ATOM 29 CA ALA 3 -0.541 4.231 2.230 1.00 0.00 GA1 ATOM 30 HA ALA 3 0.158 4.154 3.063 1.00 0.00 GA1 ATOM 31 CB ALA 3 -0.168 5.665 1.706 1.00 0.00 GA1 ATOM 32 HB1 ALA 3 0.922 5.664 1.387 1.00 0.00 GA1 ATOM 33 HB2 ALA 3 -0.740 5.971 0.805 1.00 0.00 GA1 ATOM 34 HB3 ALA 3 -0.279 6.378 2.542 1.00 0.00 GA1 ATOM 35 C ALA 3 -1.978 4.219 2.843 1.00 0.00 GA1 ATOM 36 O ALA 3 -2.586 5.270 2.942 1.00 0.00 GA1 ATOM 37 N LEU 4 -2.511 3.050 3.248 1.00 0.00 GA1 ATOM 38 HN LEU 4 -1.885 2.305 3.143 1.00 0.00 GA1 ATOM 39 CA LEU 4 -3.798 2.908 3.901 1.00 0.00 GA1 ATOM 40 HA LEU 4 -3.716 3.695 4.579 1.00 0.00 GA1 ATOM 41 CB LEU 4 -5.008 3.148 2.865 1.00 0.00 GA1 ATOM 42 HB1 LEU 4 -6.005 3.086 3.418 1.00 0.00 GA1 ATOM 43 HB2 LEU 4 -4.997 4.230 2.587 1.00 0.00 GA1 ATOM 44 CG LEU 4 -5.085 2.345 1.521 1.00 0.00 GA1 ATOM 45 HG LEU 4 -4.010 2.347 1.138 1.00 0.00 GA1 ATOM 46 CD1 LEU 4 -6.031 3.010 0.536 1.00 0.00 GA1 ATOM 47 HD11 LEU 4 -7.022 3.075 1.126 1.00 0.00 GA1 ATOM 48 HD12 LEU 4 -5.693 4.098 0.301 1.00 0.00 GA1 ATOM 49 HD13 LEU 4 -6.288 2.445 -0.432 1.00 0.00 GA1 ATOM 50 CD2 LEU 4 -5.634 0.969 1.731 1.00 0.00 GA1 ATOM 51 HD21 LEU 4 -4.850 0.214 2.090 1.00 0.00 GA1 ATOM 52 HD22 LEU 4 -6.429 0.944 2.481 1.00 0.00 GA1 ATOM 53 HD23 LEU 4 -6.077 0.499 0.828 1.00 0.00 GA1 ATOM 54 C LEU 4 -3.992 1.623 4.692 1.00 0.00 GA1 ATOM 55 O LEU 4 -4.742 1.645 5.687 1.00 0.00 GA1 ATOM 56 N ALA 5 -3.393 0.453 4.378 1.00 0.00 GA1 ATOM 57 HN ALA 5 -2.565 0.340 3.875 1.00 0.00 GA1 ATOM 58 CA ALA 5 -3.761 -0.762 5.110 1.00 0.00 GA1 ATOM 59 HA ALA 5 -3.975 -0.598 6.193 1.00 0.00 GA1 ATOM 60 CB ALA 5 -4.913 -1.474 4.505 1.00 0.00 GA1 ATOM 61 HB1 ALA 5 -5.616 -0.676 4.231 1.00 0.00 GA1 ATOM 62 HB2 ALA 5 -4.697 -2.020 3.535 1.00 0.00 GA1 ATOM 63 HB3 ALA 5 -5.343 -2.257 5.155 1.00 0.00 GA1 ATOM 64 C ALA 5 -2.644 -1.727 4.976 1.00 0.00 GA1 ATOM 65 O ALA 5 -1.877 -1.814 4.021 1.00 0.00 GA1 ATOM 66 N VAL 6 -2.580 -2.616 5.963 1.00 0.00 GA1 ATOM 67 HN VAL 6 -3.145 -2.483 6.761 1.00 0.00 GA1 ATOM 68 CA VAL 6 -1.793 -3.839 5.996 1.00 0.00 GA1 ATOM 69 HA VAL 6 -2.060 -4.187 6.909 1.00 0.00 GA1 ATOM 70 CB VAL 6 -2.235 -5.024 5.214 1.00 0.00 GA1 ATOM 71 HB VAL 6 -3.363 -5.150 5.209 1.00 0.00 GA1 ATOM 72 CG1 VAL 6 -1.906 -4.971 3.694 1.00 0.00 GA1 ATOM 73 HG11 VAL 6 -2.498 -4.240 3.131 1.00 0.00 GA1 ATOM 74 HG12 VAL 6 -0.869 -4.711 3.502 1.00 0.00 GA1 ATOM 75 HG13 VAL 6 -1.967 -5.997 3.338 1.00 0.00 GA1 ATOM 76 CG2 VAL 6 -1.639 -6.269 5.884 1.00 0.00 GA1 ATOM 77 HG21 VAL 6 -1.765 -7.131 5.255 1.00 0.00 GA1 ATOM 78 HG22 VAL 6 -0.588 -6.296 6.023 1.00 0.00 GA1 ATOM 79 HG23 VAL 6 -2.149 -6.576 6.761 1.00 0.00 GA1 ATOM 80 C VAL 6 -0.307 -3.647 6.135 1.00 0.00 GA1 ATOM 81 O VAL 6 0.220 -4.094 7.173 1.00 0.00 GA1 ATOM 82 N VAL 7 0.373 -3.083 5.129 1.00 0.00 GA1 ATOM 83 HN VAL 7 -0.175 -2.739 4.366 1.00 0.00 GA1 ATOM 84 CA VAL 7 1.800 -2.753 5.240 1.00 0.00 GA1 ATOM 85 HA VAL 7 2.227 -3.114 6.199 1.00 0.00 GA1 ATOM 86 CB VAL 7 2.531 -3.362 4.125 1.00 0.00 GA1 ATOM 87 HB VAL 7 2.346 -2.807 3.137 1.00 0.00 GA1 ATOM 88 CG1 VAL 7 3.986 -3.490 4.410 1.00 0.00 GA1 ATOM 89 HG11 VAL 7 4.469 -4.053 3.529 1.00 0.00 GA1 ATOM 90 HG12 VAL 7 4.351 -2.459 4.292 1.00 0.00 GA1 ATOM 91 HG13 VAL 7 4.244 -3.879 5.351 1.00 0.00 GA1 ATOM 92 CG2 VAL 7 1.903 -4.743 3.883 1.00 0.00 GA1 ATOM 93 HG21 VAL 7 1.653 -5.210 4.815 1.00 0.00 GA1 ATOM 94 HG22 VAL 7 1.054 -4.685 3.264 1.00 0.00 GA1 ATOM 95 HG23 VAL 7 2.674 -5.335 3.420 1.00 0.00 GA1 ATOM 96 C VAL 7 2.031 -1.292 5.151 1.00 0.00 GA1 ATOM 97 O VAL 7 1.307 -0.564 4.471 1.00 0.00 GA1 ATOM 98 N VAL 8 3.103 -0.861 5.825 1.00 0.00 GA1 ATOM 99 HN VAL 8 3.520 -1.601 6.347 1.00 0.00 GA1 ATOM 100 CA VAL 8 3.688 0.471 5.882 1.00 0.00 GA1 ATOM 101 HA VAL 8 4.587 0.259 6.410 1.00 0.00 GA1 ATOM 102 CB VAL 8 4.283 1.149 4.649 1.00 0.00 GA1 ATOM 103 HB VAL 8 4.698 2.115 4.970 1.00 0.00 GA1 ATOM 104 CG1 VAL 8 5.393 0.349 4.005 1.00 0.00 GA1 ATOM 105 HG11 VAL 8 5.823 0.876 3.090 1.00 0.00 GA1 ATOM 106 HG12 VAL 8 6.215 0.182 4.789 1.00 0.00 GA1 ATOM 107 HG13 VAL 8 5.030 -0.606 3.644 1.00 0.00 GA1 ATOM 108 CG2 VAL 8 3.311 1.623 3.641 1.00 0.00 GA1 ATOM 109 HG21 VAL 8 3.766 2.388 3.059 1.00 0.00 GA1 ATOM 110 HG22 VAL 8 3.057 0.803 2.958 1.00 0.00 GA1 ATOM 111 HG23 VAL 8 2.340 2.121 4.031 1.00 0.00 GA1 ATOM 112 C VAL 8 2.911 1.396 6.756 1.00 0.00 GA1 ATOM 113 O VAL 8 3.373 1.777 7.803 1.00 0.00 GA1 ATOM 114 N TRP 9 1.621 1.671 6.461 1.00 0.00 GA1 ATOM 115 HN TRP 9 1.207 1.242 5.628 1.00 0.00 GA1 ATOM 116 CA TRP 9 0.889 2.687 7.206 1.00 0.00 GA1 ATOM 117 HA TRP 9 1.200 2.642 8.289 1.00 0.00 GA1 ATOM 118 CB TRP 9 1.092 4.137 6.625 1.00 0.00 GA1 ATOM 119 HB1 TRP 9 2.115 4.283 6.423 1.00 0.00 GA1 ATOM 120 HB2 TRP 9 0.637 4.195 5.626 1.00 0.00 GA1 ATOM 121 CG TRP 9 0.701 5.316 7.521 1.00 0.00 GA1 ATOM 122 CD1 TRP 9 1.024 5.490 8.819 1.00 0.00 GA1 ATOM 123 HD1 TRP 9 1.587 4.725 9.457 1.00 0.00 GA1 ATOM 124 NE1 TRP 9 0.366 6.666 9.282 1.00 0.00 GA1 ATOM 125 HE1 TRP 9 0.389 7.015 10.172 1.00 0.00 GA1 ATOM 126 CE2 TRP 9 -0.288 7.280 8.195 1.00 0.00 GA1 ATOM 127 CD2 TRP 9 -0.083 6.439 7.101 1.00 0.00 GA1 ATOM 128 CE3 TRP 9 -0.525 6.922 5.806 1.00 0.00 GA1 ATOM 129 HE3 TRP 9 -0.386 6.334 4.885 1.00 0.00 GA1 ATOM 130 CZ3 TRP 9 -1.325 8.063 5.700 1.00 0.00 GA1 ATOM 131 HZ3 TRP 9 -1.648 8.506 4.840 1.00 0.00 GA1 ATOM 132 CZ2 TRP 9 -0.986 8.467 8.123 1.00 0.00 GA1 ATOM 133 HZ2 TRP 9 -1.090 9.029 9.028 1.00 0.00 GA1 ATOM 134 CH2 TRP 9 -1.543 8.874 6.845 1.00 0.00 GA1 ATOM 135 HH2 TRP 9 -2.095 9.839 6.796 1.00 0.00 GA1 ATOM 136 C TRP 9 -0.596 2.549 7.305 1.00 0.00 GA1 ATOM 137 O TRP 9 -1.168 2.070 6.328 1.00 0.00 GA1 ATOM 138 N LEU 10 -1.082 2.876 8.543 1.00 0.00 GA1 ATOM 139 HN LEU 10 -0.423 2.991 9.272 1.00 0.00 GA1 ATOM 140 CA LEU 10 -2.441 2.942 9.025 1.00 0.00 GA1 ATOM 141 HA LEU 10 -2.452 3.558 9.925 1.00 0.00 GA1 ATOM 142 CB LEU 10 -3.336 3.752 7.969 1.00 0.00 GA1 ATOM 143 HB1 LEU 10 -2.621 4.512 7.543 1.00 0.00 GA1 ATOM 144 HB2 LEU 10 -3.638 2.945 7.250 1.00 0.00 GA1 ATOM 145 CG LEU 10 -4.624 4.474 8.402 1.00 0.00 GA1 ATOM 146 HG LEU 10 -5.124 4.677 7.449 1.00 0.00 GA1 ATOM 147 CD1 LEU 10 -4.396 5.867 9.029 1.00 0.00 GA1 ATOM 148 HD11 LEU 10 -5.320 6.397 9.164 1.00 0.00 GA1 ATOM 149 HD12 LEU 10 -3.791 5.768 9.984 1.00 0.00 GA1 ATOM 150 HD13 LEU 10 -3.686 6.319 8.333 1.00 0.00 GA1 ATOM 151 CD2 LEU 10 -5.445 3.645 9.322 1.00 0.00 GA1 ATOM 152 HD21 LEU 10 -6.475 4.028 9.524 1.00 0.00 GA1 ATOM 153 HD22 LEU 10 -5.638 2.571 8.932 1.00 0.00 GA1 ATOM 154 HD23 LEU 10 -4.984 3.620 10.385 1.00 0.00 GA1 ATOM 155 C LEU 10 -3.053 1.558 9.542 1.00 0.00 GA1 ATOM 156 O LEU 10 -2.940 1.240 10.769 1.00 0.00 GA1 ATOM 157 N TRP 11 -3.651 0.684 8.720 1.00 0.00 GA1 ATOM 158 HN TRP 11 -3.727 0.981 7.763 1.00 0.00 GA1 ATOM 159 CA TRP 11 -4.538 -0.385 9.300 1.00 0.00 GA1 ATOM 160 HA TRP 11 -4.817 -0.155 10.300 1.00 0.00 GA1 ATOM 161 CB TRP 11 -5.836 -0.643 8.537 1.00 0.00 GA1 ATOM 162 HB1 TRP 11 -5.726 -0.529 7.451 1.00 0.00 GA1 ATOM 163 HB2 TRP 11 -6.216 -1.688 8.749 1.00 0.00 GA1 ATOM 164 CG TRP 11 -7.040 0.175 9.027 1.00 0.00 GA1 ATOM 165 CD1 TRP 11 -7.331 0.637 10.268 1.00 0.00 GA1 ATOM 166 HD1 TRP 11 -6.738 0.412 11.225 1.00 0.00 GA1 ATOM 167 NE1 TRP 11 -8.235 1.628 10.287 1.00 0.00 GA1 ATOM 168 HE1 TRP 11 -8.666 1.907 11.091 1.00 0.00 GA1 ATOM 169 CE2 TRP 11 -8.522 1.878 8.935 1.00 0.00 GA1 ATOM 170 CD2 TRP 11 -7.841 0.962 8.152 1.00 0.00 GA1 ATOM 171 CE3 TRP 11 -7.998 1.074 6.748 1.00 0.00 GA1 ATOM 172 HE3 TRP 11 -7.467 0.407 6.034 1.00 0.00 GA1 ATOM 173 CZ3 TRP 11 -8.842 2.124 6.257 1.00 0.00 GA1 ATOM 174 HZ3 TRP 11 -8.894 2.305 5.191 1.00 0.00 GA1 ATOM 175 CZ2 TRP 11 -9.365 2.855 8.498 1.00 0.00 GA1 ATOM 176 HZ2 TRP 11 -9.784 3.584 9.209 1.00 0.00 GA1 ATOM 177 CH2 TRP 11 -9.542 2.913 7.115 1.00 0.00 GA1 ATOM 178 HH2 TRP 11 -10.234 3.748 6.732 1.00 0.00 GA1 ATOM 179 C TRP 11 -3.814 -1.629 9.516 1.00 0.00 GA1 ATOM 180 O TRP 11 -3.560 -2.398 8.619 1.00 0.00 GA1 ATOM 181 N LEU 12 -3.528 -1.930 10.821 1.00 0.00 GA1 ATOM 182 HN LEU 12 -3.885 -1.289 11.516 1.00 0.00 GA1 ATOM 183 CA LEU 12 -2.950 -3.220 11.391 1.00 0.00 GA1 ATOM 184 HA LEU 12 -3.481 -3.173 12.334 1.00 0.00 GA1 ATOM 185 CB LEU 12 -3.270 -4.525 10.613 1.00 0.00 GA1 ATOM 186 HB1 LEU 12 -3.532 -4.271 9.563 1.00 0.00 GA1 ATOM 187 HB2 LEU 12 -2.357 -5.200 10.529 1.00 0.00 GA1 ATOM 188 CG LEU 12 -4.280 -5.423 11.269 1.00 0.00 GA1 ATOM 189 HG LEU 12 -4.457 -6.392 10.729 1.00 0.00 GA1 ATOM 190 CD1 LEU 12 -5.663 -4.793 11.360 1.00 0.00 GA1 ATOM 191 HD11 LEU 12 -6.478 -5.467 11.740 1.00 0.00 GA1 ATOM 192 HD12 LEU 12 -5.723 -3.988 12.043 1.00 0.00 GA1 ATOM 193 HD13 LEU 12 -5.930 -4.319 10.403 1.00 0.00 GA1 ATOM 194 CD2 LEU 12 -3.829 -5.904 12.700 1.00 0.00 GA1 ATOM 195 HD21 LEU 12 -3.758 -5.112 13.458 1.00 0.00 GA1 ATOM 196 HD22 LEU 12 -4.486 -6.710 13.022 1.00 0.00 GA1 ATOM 197 HD23 LEU 12 -2.880 -6.463 12.658 1.00 0.00 GA1 ATOM 198 C LEU 12 -1.537 -3.004 11.846 1.00 0.00 GA1 ATOM 199 O LEU 12 -1.350 -2.793 12.995 1.00 0.00 GA1 ATOM 200 N TRP 13 -0.532 -3.111 10.914 1.00 0.00 GA1 ATOM 201 HN TRP 13 -0.692 -3.246 9.882 1.00 0.00 GA1 ATOM 202 CA TRP 13 0.840 -3.231 11.382 1.00 0.00 GA1 ATOM 203 HA TRP 13 0.917 -3.258 12.435 1.00 0.00 GA1 ATOM 204 CB TRP 13 1.367 -4.566 10.760 1.00 0.00 GA1 ATOM 205 HB1 TRP 13 1.097 -4.762 9.712 1.00 0.00 GA1 ATOM 206 HB2 TRP 13 2.491 -4.570 10.724 1.00 0.00 GA1 ATOM 207 CG TRP 13 0.884 -5.760 11.539 1.00 0.00 GA1 ATOM 208 CD1 TRP 13 1.093 -5.921 12.892 1.00 0.00 GA1 ATOM 209 HD1 TRP 13 1.856 -5.347 13.347 1.00 0.00 GA1 ATOM 210 NE1 TRP 13 0.443 -7.028 13.329 1.00 0.00 GA1 ATOM 211 HE1 TRP 13 0.115 -7.208 14.260 1.00 0.00 GA1 ATOM 212 CE2 TRP 13 -0.255 -7.589 12.289 1.00 0.00 GA1 ATOM 213 CD2 TRP 13 -0.028 -6.792 11.098 1.00 0.00 GA1 ATOM 214 CE3 TRP 13 -0.402 -7.162 9.821 1.00 0.00 GA1 ATOM 215 HE3 TRP 13 -0.031 -6.576 8.963 1.00 0.00 GA1 ATOM 216 CZ3 TRP 13 -1.367 -8.162 9.803 1.00 0.00 GA1 ATOM 217 HZ3 TRP 13 -1.789 -8.512 8.865 1.00 0.00 GA1 ATOM 218 CZ2 TRP 13 -1.212 -8.603 12.210 1.00 0.00 GA1 ATOM 219 HZ2 TRP 13 -1.547 -9.164 13.115 1.00 0.00 GA1 ATOM 220 CH2 TRP 13 -1.792 -8.834 10.970 1.00 0.00 GA1 ATOM 221 HH2 TRP 13 -2.638 -9.552 10.964 1.00 0.00 GA1 ATOM 222 C TRP 13 1.689 -2.017 10.943 1.00 0.00 GA1 ATOM 223 O TRP 13 1.265 -1.007 10.311 1.00 0.00 GA1 ATOM 224 N LEU 14 2.981 -2.029 11.380 1.00 0.00 GA1 ATOM 225 HN LEU 14 3.370 -2.835 11.845 1.00 0.00 GA1 ATOM 226 CA LEU 14 3.750 -0.804 11.439 1.00 0.00 GA1 ATOM 227 HA LEU 14 4.560 -1.086 12.023 1.00 0.00 GA1 ATOM 228 CB LEU 14 4.450 -0.368 10.117 1.00 0.00 GA1 ATOM 229 HB1 LEU 14 3.719 -0.009 9.414 1.00 0.00 GA1 ATOM 230 HB2 LEU 14 5.129 0.509 10.283 1.00 0.00 GA1 ATOM 231 CG LEU 14 5.327 -1.413 9.496 1.00 0.00 GA1 ATOM 232 HG LEU 14 5.939 -0.787 8.773 1.00 0.00 GA1 ATOM 233 CD1 LEU 14 4.640 -2.445 8.508 1.00 0.00 GA1 ATOM 234 HD11 LEU 14 5.319 -2.680 7.634 1.00 0.00 GA1 ATOM 235 HD12 LEU 14 4.250 -3.280 9.059 1.00 0.00 GA1 ATOM 236 HD13 LEU 14 3.732 -1.903 8.040 1.00 0.00 GA1 ATOM 237 CD2 LEU 14 6.230 -2.121 10.499 1.00 0.00 GA1 ATOM 238 HD21 LEU 14 6.987 -2.645 9.919 1.00 0.00 GA1 ATOM 239 HD22 LEU 14 6.716 -1.354 11.092 1.00 0.00 GA1 ATOM 240 HD23 LEU 14 5.766 -2.970 11.107 1.00 0.00 GA1 ATOM 241 C LEU 14 3.219 0.403 12.195 1.00 0.00 GA1 ATOM 242 O LEU 14 3.197 0.327 13.458 1.00 0.00 GA1 ATOM 243 N TRP 15 2.687 1.413 11.446 1.00 0.00 GA1 ATOM 244 HN TRP 15 2.406 1.343 10.499 1.00 0.00 GA1 ATOM 245 CA TRP 15 2.242 2.576 12.213 1.00 0.00 GA1 ATOM 246 HA TRP 15 2.186 2.339 13.281 1.00 0.00 GA1 ATOM 247 CB TRP 15 3.213 3.783 11.857 1.00 0.00 GA1 ATOM 248 HB1 TRP 15 3.592 3.689 10.818 1.00 0.00 GA1 ATOM 249 HB2 TRP 15 2.716 4.693 12.036 1.00 0.00 GA1 ATOM 250 CG TRP 15 4.423 3.835 12.745 1.00 0.00 GA1 ATOM 251 CD1 TRP 15 4.517 4.371 13.959 1.00 0.00 GA1 ATOM 252 HD1 TRP 15 3.661 4.733 14.583 1.00 0.00 GA1 ATOM 253 NE1 TRP 15 5.872 4.225 14.405 1.00 0.00 GA1 ATOM 254 HE1 TRP 15 6.126 4.415 15.363 1.00 0.00 GA1 ATOM 255 CE2 TRP 15 6.616 3.858 13.389 1.00 0.00 GA1 ATOM 256 CD2 TRP 15 5.765 3.524 12.359 1.00 0.00 GA1 ATOM 257 CE3 TRP 15 6.357 3.173 11.102 1.00 0.00 GA1 ATOM 258 HE3 TRP 15 5.842 2.908 10.171 1.00 0.00 GA1 ATOM 259 CZ3 TRP 15 7.820 3.110 11.015 1.00 0.00 GA1 ATOM 260 HZ3 TRP 15 8.250 2.734 10.087 1.00 0.00 GA1 ATOM 261 CZ2 TRP 15 8.017 3.822 13.345 1.00 0.00 GA1 ATOM 262 HZ2 TRP 15 8.664 4.174 14.218 1.00 0.00 GA1 ATOM 263 CH2 TRP 15 8.574 3.449 12.088 1.00 0.00 GA1 ATOM 264 HH2 TRP 15 9.574 3.425 11.884 1.00 0.00 GA1 ATOM 265 C TRP 15 0.833 2.988 11.816 1.00 0.00 GA1 ATOM 266 O TRP 15 0.581 3.017 10.628 1.00 0.00 GA1 ATOM 267 N ETA 16 0.044 3.430 12.696 1.00 0.00 GA1 ATOM 268 HN ETA 16 0.227 3.482 13.700 1.00 0.00 GA1 ATOM 269 CA ETA 16 -1.294 4.042 12.387 1.00 0.00 GA1 ATOM 270 HA1 ETA 16 -1.989 3.164 12.236 1.00 0.00 GA1 ATOM 271 HA2 ETA 16 -1.151 4.544 11.418 1.00 0.00 GA1 ATOM 272 CB ETA 16 -1.830 4.854 13.535 1.00 0.00 GA1 ATOM 273 HB1 ETA 16 -2.011 4.104 14.369 1.00 0.00 GA1 ATOM 274 HB2 ETA 16 -1.086 5.545 13.920 1.00 0.00 GA1 ATOM 275 OG ETA 16 -2.985 5.644 13.200 1.00 0.00 GA1 ATOM 276 HG1 ETA 16 -3.166 6.132 14.005 1.00 0.00 GA1 ATOM 277 HA FOR 0 -3.265 -5.903 1.547 1.00 0.00 GA2 ATOM 278 C FOR 0 -3.198 -5.434 0.585 1.00 0.00 GA2 ATOM 279 O FOR 0 -2.407 -5.876 -0.253 1.00 0.00 GA2 ATOM 280 N VAL 1 -3.912 -4.379 0.343 1.00 0.00 GA2 ATOM 281 HN VAL 1 -4.665 -4.093 0.884 1.00 0.00 GA2 ATOM 282 CA VAL 1 -3.675 -3.505 -0.764 1.00 0.00 GA2 ATOM 283 HA VAL 1 -2.714 -3.767 -1.275 1.00 0.00 GA2 ATOM 284 CB VAL 1 -4.817 -3.416 -1.719 1.00 0.00 GA2 ATOM 285 HB VAL 1 -5.738 -3.048 -1.157 1.00 0.00 GA2 ATOM 286 CG1 VAL 1 -4.698 -2.347 -2.796 1.00 0.00 GA2 ATOM 287 HG11 VAL 1 -5.548 -2.454 -3.576 1.00 0.00 GA2 ATOM 288 HG12 VAL 1 -4.867 -1.322 -2.378 1.00 0.00 GA2 ATOM 289 HG13 VAL 1 -3.678 -2.388 -3.182 1.00 0.00 GA2 ATOM 290 CG2 VAL 1 -5.151 -4.791 -2.333 1.00 0.00 GA2 ATOM 291 HG21 VAL 1 -6.132 -4.857 -2.891 1.00 0.00 GA2 ATOM 292 HG22 VAL 1 -4.334 -5.131 -3.029 1.00 0.00 GA2 ATOM 293 HG23 VAL 1 -5.390 -5.503 -1.515 1.00 0.00 GA2 ATOM 294 C VAL 1 -3.475 -2.115 -0.196 1.00 0.00 GA2 ATOM 295 O VAL 1 -4.102 -1.758 0.807 1.00 0.00 GA2 ATOM 296 N GLY 2 -2.582 -1.307 -0.769 1.00 0.00 GA2 ATOM 297 HN GLY 2 -2.098 -1.682 -1.534 1.00 0.00 GA2 ATOM 298 CA GLY 2 -2.495 0.132 -0.534 1.00 0.00 GA2 ATOM 299 HA1 GLY 2 -1.807 0.271 0.302 1.00 0.00 GA2 ATOM 300 HA2 GLY 2 -3.413 0.477 -0.285 1.00 0.00 GA2 ATOM 301 C GLY 2 -1.814 0.922 -1.604 1.00 0.00 GA2 ATOM 302 O GLY 2 -1.244 0.418 -2.587 1.00 0.00 GA2 ATOM 303 N ALA 3 -1.802 2.228 -1.526 1.00 0.00 GA2 ATOM 304 HN ALA 3 -2.091 2.702 -0.687 1.00 0.00 GA2 ATOM 305 CA ALA 3 -1.276 3.098 -2.567 1.00 0.00 GA2 ATOM 306 HA ALA 3 -1.406 2.595 -3.536 1.00 0.00 GA2 ATOM 307 CB ALA 3 -1.989 4.436 -2.506 1.00 0.00 GA2 ATOM 308 HB1 ALA 3 -3.145 4.281 -2.471 1.00 0.00 GA2 ATOM 309 HB2 ALA 3 -1.686 5.033 -1.643 1.00 0.00 GA2 ATOM 310 HB3 ALA 3 -1.751 5.123 -3.401 1.00 0.00 GA2 ATOM 311 C ALA 3 0.237 3.356 -2.429 1.00 0.00 GA2 ATOM 312 O ALA 3 0.729 4.036 -1.489 1.00 0.00 GA2 ATOM 313 N LEU 4 1.046 2.814 -3.461 1.00 0.00 GA2 ATOM 314 HN LEU 4 0.562 2.154 -4.049 1.00 0.00 GA2 ATOM 315 CA LEU 4 2.480 2.993 -3.692 1.00 0.00 GA2 ATOM 316 HA LEU 4 2.429 3.732 -4.498 1.00 0.00 GA2 ATOM 317 CB LEU 4 3.438 3.607 -2.622 1.00 0.00 GA2 ATOM 318 HB1 LEU 4 4.468 3.803 -3.052 1.00 0.00 GA2 ATOM 319 HB2 LEU 4 3.110 4.614 -2.300 1.00 0.00 GA2 ATOM 320 CG LEU 4 3.659 2.712 -1.355 1.00 0.00 GA2 ATOM 321 HG LEU 4 2.765 2.055 -1.305 1.00 0.00 GA2 ATOM 322 CD1 LEU 4 3.801 3.656 -0.208 1.00 0.00 GA2 ATOM 323 HD11 LEU 4 4.680 4.296 -0.375 1.00 0.00 GA2 ATOM 324 HD12 LEU 4 2.936 4.256 0.005 1.00 0.00 GA2 ATOM 325 HD13 LEU 4 4.048 3.039 0.670 1.00 0.00 GA2 ATOM 326 CD2 LEU 4 4.882 1.785 -1.530 1.00 0.00 GA2 ATOM 327 HD21 LEU 4 4.949 0.945 -0.757 1.00 0.00 GA2 ATOM 328 HD22 LEU 4 4.832 1.286 -2.541 1.00 0.00 GA2 ATOM 329 HD23 LEU 4 5.827 2.401 -1.439 1.00 0.00 GA2 ATOM 330 C LEU 4 3.044 1.708 -4.330 1.00 0.00 GA2 ATOM 331 O LEU 4 3.724 1.728 -5.325 1.00 0.00 GA2 ATOM 332 N ALA 5 2.761 0.508 -3.831 1.00 0.00 GA2 ATOM 333 HN ALA 5 2.141 0.322 -3.051 1.00 0.00 GA2 ATOM 334 CA ALA 5 3.060 -0.705 -4.587 1.00 0.00 GA2 ATOM 335 HA ALA 5 2.960 -0.583 -5.650 1.00 0.00 GA2 ATOM 336 CB ALA 5 4.469 -1.257 -4.274 1.00 0.00 GA2 ATOM 337 HB1 ALA 5 5.242 -0.502 -4.446 1.00 0.00 GA2 ATOM 338 HB2 ALA 5 4.609 -1.518 -3.229 1.00 0.00 GA2 ATOM 339 HB3 ALA 5 4.722 -2.060 -4.996 1.00 0.00 GA2 ATOM 340 C ALA 5 2.011 -1.835 -4.395 1.00 0.00 GA2 ATOM 341 O ALA 5 1.050 -1.703 -3.702 1.00 0.00 GA2 ATOM 342 N VAL 6 2.253 -2.817 -5.367 1.00 0.00 GA2 ATOM 343 HN VAL 6 3.178 -2.802 -5.833 1.00 0.00 GA2 ATOM 344 CA VAL 6 1.381 -3.975 -5.623 1.00 0.00 GA2 ATOM 345 HA VAL 6 1.857 -4.352 -6.466 1.00 0.00 GA2 ATOM 346 CB VAL 6 1.423 -5.042 -4.599 1.00 0.00 GA2 ATOM 347 HB VAL 6 2.380 -4.789 -3.927 1.00 0.00 GA2 ATOM 348 CG1 VAL 6 0.226 -5.111 -3.655 1.00 0.00 GA2 ATOM 349 HG11 VAL 6 0.434 -5.999 -2.998 1.00 0.00 GA2 ATOM 350 HG12 VAL 6 0.163 -4.150 -3.069 1.00 0.00 GA2 ATOM 351 HG13 VAL 6 -0.734 -5.295 -4.152 1.00 0.00 GA2 ATOM 352 CG2 VAL 6 1.666 -6.437 -5.271 1.00 0.00 GA2 ATOM 353 HG21 VAL 6 2.548 -6.524 -5.847 1.00 0.00 GA2 ATOM 354 HG22 VAL 6 1.629 -7.212 -4.443 1.00 0.00 GA2 ATOM 355 HG23 VAL 6 0.748 -6.736 -5.813 1.00 0.00 GA2 ATOM 356 C VAL 6 0.068 -3.609 -6.233 1.00 0.00 GA2 ATOM 357 O VAL 6 -0.132 -3.805 -7.399 1.00 0.00 GA2 ATOM 358 N VAL 7 -0.951 -3.001 -5.566 1.00 0.00 GA2 ATOM 359 HN VAL 7 -0.762 -2.621 -4.667 1.00 0.00 GA2 ATOM 360 CA VAL 7 -2.220 -2.613 -6.276 1.00 0.00 GA2 ATOM 361 HA VAL 7 -2.037 -2.810 -7.311 1.00 0.00 GA2 ATOM 362 CB VAL 7 -3.332 -3.615 -5.824 1.00 0.00 GA2 ATOM 363 HB VAL 7 -3.371 -3.602 -4.768 1.00 0.00 GA2 ATOM 364 CG1 VAL 7 -4.684 -3.455 -6.502 1.00 0.00 GA2 ATOM 365 HG11 VAL 7 -5.415 -4.233 -6.312 1.00 0.00 GA2 ATOM 366 HG12 VAL 7 -5.102 -2.478 -6.227 1.00 0.00 GA2 ATOM 367 HG13 VAL 7 -4.640 -3.315 -7.630 1.00 0.00 GA2 ATOM 368 CG2 VAL 7 -2.908 -5.031 -6.183 1.00 0.00 GA2 ATOM 369 HG21 VAL 7 -3.826 -5.639 -6.040 1.00 0.00 GA2 ATOM 370 HG22 VAL 7 -2.646 -5.099 -7.260 1.00 0.00 GA2 ATOM 371 HG23 VAL 7 -2.038 -5.457 -5.597 1.00 0.00 GA2 ATOM 372 C VAL 7 -2.498 -1.130 -6.213 1.00 0.00 GA2 ATOM 373 O VAL 7 -1.762 -0.288 -5.698 1.00 0.00 GA2 ATOM 374 N VAL 8 -3.534 -0.761 -6.914 1.00 0.00 GA2 ATOM 375 HN VAL 8 -3.965 -1.460 -7.508 1.00 0.00 GA2 ATOM 376 CA VAL 8 -4.152 0.581 -7.042 1.00 0.00 GA2 ATOM 377 HA VAL 8 -4.821 0.485 -7.905 1.00 0.00 GA2 ATOM 378 CB VAL 8 -5.018 0.990 -5.898 1.00 0.00 GA2 ATOM 379 HB VAL 8 -5.560 1.890 -6.222 1.00 0.00 GA2 ATOM 380 CG1 VAL 8 -6.115 -0.121 -5.703 1.00 0.00 GA2 ATOM 381 HG11 VAL 8 -6.994 0.182 -5.083 1.00 0.00 GA2 ATOM 382 HG12 VAL 8 -6.546 -0.607 -6.615 1.00 0.00 GA2 ATOM 383 HG13 VAL 8 -5.616 -0.845 -5.076 1.00 0.00 GA2 ATOM 384 CG2 VAL 8 -4.261 1.203 -4.575 1.00 0.00 GA2 ATOM 385 HG21 VAL 8 -4.931 1.430 -3.744 1.00 0.00 GA2 ATOM 386 HG22 VAL 8 -3.590 0.462 -4.270 1.00 0.00 GA2 ATOM 387 HG23 VAL 8 -3.540 2.053 -4.806 1.00 0.00 GA2 ATOM 388 C VAL 8 -3.252 1.671 -7.667 1.00 0.00 GA2 ATOM 389 O VAL 8 -3.622 2.173 -8.724 1.00 0.00 GA2 ATOM 390 N TRP 9 -2.139 2.066 -6.982 1.00 0.00 GA2 ATOM 391 HN TRP 9 -1.837 1.452 -6.305 1.00 0.00 GA2 ATOM 392 CA TRP 9 -1.229 3.073 -7.467 1.00 0.00 GA2 ATOM 393 HA TRP 9 -1.391 3.202 -8.535 1.00 0.00 GA2 ATOM 394 CB TRP 9 -1.576 4.439 -6.823 1.00 0.00 GA2 ATOM 395 HB1 TRP 9 -2.661 4.460 -6.948 1.00 0.00 GA2 ATOM 396 HB2 TRP 9 -1.333 4.510 -5.776 1.00 0.00 GA2 ATOM 397 CG TRP 9 -0.973 5.627 -7.670 1.00 0.00 GA2 ATOM 398 CD1 TRP 9 -1.374 6.358 -8.814 1.00 0.00 GA2 ATOM 399 HD1 TRP 9 -2.242 6.108 -9.422 1.00 0.00 GA2 ATOM 400 NE1 TRP 9 -0.392 7.311 -9.046 1.00 0.00 GA2 ATOM 401 HE1 TRP 9 -0.376 7.875 -9.891 1.00 0.00 GA2 ATOM 402 CE2 TRP 9 0.556 7.243 -8.044 1.00 0.00 GA2 ATOM 403 CD2 TRP 9 0.211 6.252 -7.088 1.00 0.00 GA2 ATOM 404 CE3 TRP 9 0.891 6.062 -5.893 1.00 0.00 GA2 ATOM 405 HE3 TRP 9 0.618 5.272 -5.215 1.00 0.00 GA2 ATOM 406 CZ3 TRP 9 2.113 6.843 -5.724 1.00 0.00 GA2 ATOM 407 HZ3 TRP 9 2.786 6.564 -4.825 1.00 0.00 GA2 ATOM 408 CZ2 TRP 9 1.673 7.951 -7.867 1.00 0.00 GA2 ATOM 409 HZ2 TRP 9 1.872 8.693 -8.578 1.00 0.00 GA2 ATOM 410 CH2 TRP 9 2.467 7.776 -6.732 1.00 0.00 GA2 ATOM 411 HH2 TRP 9 3.284 8.437 -6.612 1.00 0.00 GA2 ATOM 412 C TRP 9 0.230 2.648 -7.521 1.00 0.00 GA2 ATOM 413 O TRP 9 0.719 2.299 -6.472 1.00 0.00 GA2 ATOM 414 N LEU 10 0.842 2.870 -8.711 1.00 0.00 GA2 ATOM 415 HN LEU 10 0.323 3.168 -9.508 1.00 0.00 GA2 ATOM 416 CA LEU 10 2.197 2.786 -9.030 1.00 0.00 GA2 ATOM 417 HA LEU 10 2.267 3.320 -9.957 1.00 0.00 GA2 ATOM 418 CB LEU 10 3.120 3.778 -8.181 1.00 0.00 GA2 ATOM 419 HB1 LEU 10 2.572 4.626 -7.670 1.00 0.00 GA2 ATOM 420 HB2 LEU 10 3.519 3.220 -7.341 1.00 0.00 GA2 ATOM 421 CG LEU 10 4.273 4.506 -8.877 1.00 0.00 GA2 ATOM 422 HG LEU 10 4.740 5.034 -8.036 1.00 0.00 GA2 ATOM 423 CD1 LEU 10 3.853 5.497 -10.000 1.00 0.00 GA2 ATOM 424 HD11 LEU 10 4.822 5.938 -10.440 1.00 0.00 GA2 ATOM 425 HD12 LEU 10 3.252 5.004 -10.783 1.00 0.00 GA2 ATOM 426 HD13 LEU 10 3.204 6.335 -9.585 1.00 0.00 GA2 ATOM 427 CD2 LEU 10 5.362 3.557 -9.426 1.00 0.00 GA2 ATOM 428 HD21 LEU 10 6.248 4.199 -9.708 1.00 0.00 GA2 ATOM 429 HD22 LEU 10 5.698 2.885 -8.704 1.00 0.00 GA2 ATOM 430 HD23 LEU 10 5.049 3.002 -10.258 1.00 0.00 GA2 ATOM 431 C LEU 10 2.781 1.423 -9.366 1.00 0.00 GA2 ATOM 432 O LEU 10 2.618 0.898 -10.456 1.00 0.00 GA2 ATOM 433 N TRP 11 3.444 0.674 -8.385 1.00 0.00 GA2 ATOM 434 HN TRP 11 3.319 0.833 -7.383 1.00 0.00 GA2 ATOM 435 CA TRP 11 4.284 -0.428 -8.779 1.00 0.00 GA2 ATOM 436 HA TRP 11 4.711 -0.269 -9.778 1.00 0.00 GA2 ATOM 437 CB TRP 11 5.593 -0.507 -7.971 1.00 0.00 GA2 ATOM 438 HB1 TRP 11 5.348 -0.358 -6.897 1.00 0.00 GA2 ATOM 439 HB2 TRP 11 5.880 -1.545 -8.064 1.00 0.00 GA2 ATOM 440 CG TRP 11 6.801 0.378 -8.376 1.00 0.00 GA2 ATOM 441 CD1 TRP 11 7.454 0.451 -9.602 1.00 0.00 GA2 ATOM 442 HD1 TRP 11 7.360 -0.305 -10.403 1.00 0.00 GA2 ATOM 443 NE1 TRP 11 8.329 1.469 -9.605 1.00 0.00 GA2 ATOM 444 HE1 TRP 11 8.915 1.671 -10.354 1.00 0.00 GA2 ATOM 445 CE2 TRP 11 8.307 2.117 -8.425 1.00 0.00 GA2 ATOM 446 CD2 TRP 11 7.314 1.534 -7.619 1.00 0.00 GA2 ATOM 447 CE3 TRP 11 7.045 1.992 -6.350 1.00 0.00 GA2 ATOM 448 HE3 TRP 11 6.296 1.638 -5.679 1.00 0.00 GA2 ATOM 449 CZ3 TRP 11 7.769 3.045 -5.948 1.00 0.00 GA2 ATOM 450 HZ3 TRP 11 7.588 3.453 -4.968 1.00 0.00 GA2 ATOM 451 CZ2 TRP 11 8.915 3.252 -8.025 1.00 0.00 GA2 ATOM 452 HZ2 TRP 11 9.612 3.847 -8.571 1.00 0.00 GA2 ATOM 453 CH2 TRP 11 8.575 3.740 -6.763 1.00 0.00 GA2 ATOM 454 HH2 TRP 11 8.996 4.551 -6.339 1.00 0.00 GA2 ATOM 455 C TRP 11 3.664 -1.801 -8.762 1.00 0.00 GA2 ATOM 456 O TRP 11 3.869 -2.543 -7.789 1.00 0.00 GA2 ATOM 457 N LEU 12 2.911 -2.013 -9.837 1.00 0.00 GA2 ATOM 458 HN LEU 12 2.683 -1.196 -10.248 1.00 0.00 GA2 ATOM 459 CA LEU 12 2.460 -3.297 -10.389 1.00 0.00 GA2 ATOM 460 HA LEU 12 3.171 -3.522 -11.214 1.00 0.00 GA2 ATOM 461 CB LEU 12 2.579 -4.580 -9.566 1.00 0.00 GA2 ATOM 462 HB1 LEU 12 2.653 -4.343 -8.494 1.00 0.00 GA2 ATOM 463 HB2 LEU 12 1.654 -5.192 -9.512 1.00 0.00 GA2 ATOM 464 CG LEU 12 3.702 -5.537 -9.995 1.00 0.00 GA2 ATOM 465 HG LEU 12 3.767 -6.387 -9.293 1.00 0.00 GA2 ATOM 466 CD1 LEU 12 5.017 -4.816 -9.738 1.00 0.00 GA2 ATOM 467 HD11 LEU 12 5.896 -5.394 -10.033 1.00 0.00 GA2 ATOM 468 HD12 LEU 12 5.066 -3.868 -10.383 1.00 0.00 GA2 ATOM 469 HD13 LEU 12 5.081 -4.652 -8.605 1.00 0.00 GA2 ATOM 470 CD2 LEU 12 3.634 -6.039 -11.493 1.00 0.00 GA2 ATOM 471 HD21 LEU 12 3.764 -5.139 -12.103 1.00 0.00 GA2 ATOM 472 HD22 LEU 12 4.454 -6.728 -11.774 1.00 0.00 GA2 ATOM 473 HD23 LEU 12 2.599 -6.419 -11.783 1.00 0.00 GA2 ATOM 474 C LEU 12 1.206 -3.227 -11.090 1.00 0.00 GA2 ATOM 475 O LEU 12 1.290 -3.154 -12.337 1.00 0.00 GA2 ATOM 476 N TRP 13 -0.001 -3.340 -10.484 1.00 0.00 GA2 ATOM 477 HN TRP 13 0.029 -3.438 -9.502 1.00 0.00 GA2 ATOM 478 CA TRP 13 -1.244 -3.543 -11.091 1.00 0.00 GA2 ATOM 479 HA TRP 13 -1.239 -3.475 -12.200 1.00 0.00 GA2 ATOM 480 CB TRP 13 -1.875 -4.912 -10.567 1.00 0.00 GA2 ATOM 481 HB1 TRP 13 -1.669 -4.917 -9.488 1.00 0.00 GA2 ATOM 482 HB2 TRP 13 -2.951 -4.895 -10.744 1.00 0.00 GA2 ATOM 483 CG TRP 13 -1.197 -6.156 -11.237 1.00 0.00 GA2 ATOM 484 CD1 TRP 13 -1.204 -6.537 -12.528 1.00 0.00 GA2 ATOM 485 HD1 TRP 13 -1.604 -6.035 -13.410 1.00 0.00 GA2 ATOM 486 NE1 TRP 13 -0.338 -7.620 -12.755 1.00 0.00 GA2 ATOM 487 HE1 TRP 13 0.057 -7.917 -13.656 1.00 0.00 GA2 ATOM 488 CE2 TRP 13 -0.048 -8.123 -11.524 1.00 0.00 GA2 ATOM 489 CD2 TRP 13 -0.401 -7.120 -10.518 1.00 0.00 GA2 ATOM 490 CE3 TRP 13 -0.148 -7.324 -9.137 1.00 0.00 GA2 ATOM 491 HE3 TRP 13 -0.520 -6.594 -8.399 1.00 0.00 GA2 ATOM 492 CZ3 TRP 13 0.699 -8.412 -8.820 1.00 0.00 GA2 ATOM 493 HZ3 TRP 13 0.984 -8.618 -7.847 1.00 0.00 GA2 ATOM 494 CZ2 TRP 13 0.630 -9.280 -11.110 1.00 0.00 GA2 ATOM 495 HZ2 TRP 13 0.948 -10.080 -11.781 1.00 0.00 GA2 ATOM 496 CH2 TRP 13 1.032 -9.412 -9.739 1.00 0.00 GA2 ATOM 497 HH2 TRP 13 1.661 -10.209 -9.415 1.00 0.00 GA2 ATOM 498 C TRP 13 -2.192 -2.338 -10.747 1.00 0.00 GA2 ATOM 499 O TRP 13 -2.224 -1.960 -9.580 1.00 0.00 GA2 ATOM 500 N LEU 14 -2.899 -1.881 -11.735 1.00 0.00 GA2 ATOM 501 HN LEU 14 -2.726 -2.342 -12.643 1.00 0.00 GA2 ATOM 502 CA LEU 14 -3.891 -0.826 -11.690 1.00 0.00 GA2 ATOM 503 HA LEU 14 -4.362 -1.153 -12.603 1.00 0.00 GA2 ATOM 504 CB LEU 14 -4.853 -0.828 -10.483 1.00 0.00 GA2 ATOM 505 HB1 LEU 14 -4.158 -0.794 -9.640 1.00 0.00 GA2 ATOM 506 HB2 LEU 14 -5.443 0.158 -10.443 1.00 0.00 GA2 ATOM 507 CG LEU 14 -5.891 -1.933 -10.362 1.00 0.00 GA2 ATOM 508 HG LEU 14 -5.768 -2.234 -9.323 1.00 0.00 GA2 ATOM 509 CD1 LEU 14 -5.813 -3.045 -11.333 1.00 0.00 GA2 ATOM 510 HD11 LEU 14 -6.736 -3.687 -11.222 1.00 0.00 GA2 ATOM 511 HD12 LEU 14 -5.814 -2.737 -12.451 1.00 0.00 GA2 ATOM 512 HD13 LEU 14 -4.891 -3.670 -11.037 1.00 0.00 GA2 ATOM 513 CD2 LEU 14 -7.372 -1.440 -10.597 1.00 0.00 GA2 ATOM 514 HD21 LEU 14 -8.093 -2.232 -10.338 1.00 0.00 GA2 ATOM 515 HD22 LEU 14 -7.583 -0.543 -10.012 1.00 0.00 GA2 ATOM 516 HD23 LEU 14 -7.437 -1.005 -11.636 1.00 0.00 GA2 ATOM 517 C LEU 14 -3.409 0.474 -12.301 1.00 0.00 GA2 ATOM 518 O LEU 14 -2.881 0.449 -13.448 1.00 0.00 GA2 ATOM 519 N TRP 15 -3.458 1.668 -11.673 1.00 0.00 GA2 ATOM 520 HN TRP 15 -3.712 1.707 -10.756 1.00 0.00 GA2 ATOM 521 CA TRP 15 -3.064 2.955 -12.325 1.00 0.00 GA2 ATOM 522 HA TRP 15 -3.010 2.807 -13.455 1.00 0.00 GA2 ATOM 523 CB TRP 15 -4.019 4.130 -12.069 1.00 0.00 GA2 ATOM 524 HB1 TRP 15 -4.033 4.230 -10.976 1.00 0.00 GA2 ATOM 525 HB2 TRP 15 -3.570 5.069 -12.546 1.00 0.00 GA2 ATOM 526 CG TRP 15 -5.462 3.953 -12.518 1.00 0.00 GA2 ATOM 527 CD1 TRP 15 -6.053 4.090 -13.701 1.00 0.00 GA2 ATOM 528 HD1 TRP 15 -5.565 4.407 -14.614 1.00 0.00 GA2 ATOM 529 NE1 TRP 15 -7.382 3.783 -13.606 1.00 0.00 GA2 ATOM 530 HE1 TRP 15 -7.872 3.361 -14.311 1.00 0.00 GA2 ATOM 531 CE2 TRP 15 -7.628 3.197 -12.412 1.00 0.00 GA2 ATOM 532 CD2 TRP 15 -6.458 3.356 -11.689 1.00 0.00 GA2 ATOM 533 CE3 TRP 15 -6.361 2.870 -10.403 1.00 0.00 GA2 ATOM 534 HE3 TRP 15 -5.478 2.943 -9.816 1.00 0.00 GA2 ATOM 535 CZ3 TRP 15 -7.489 2.323 -9.827 1.00 0.00 GA2 ATOM 536 HZ3 TRP 15 -7.379 2.072 -8.727 1.00 0.00 GA2 ATOM 537 CZ2 TRP 15 -8.729 2.607 -11.864 1.00 0.00 GA2 ATOM 538 HZ2 TRP 15 -9.676 2.525 -12.462 1.00 0.00 GA2 ATOM 539 CH2 TRP 15 -8.656 2.093 -10.569 1.00 0.00 GA2 ATOM 540 HH2 TRP 15 -9.579 1.650 -10.105 1.00 0.00 GA2 ATOM 541 C TRP 15 -1.624 3.299 -12.008 1.00 0.00 GA2 ATOM 542 O TRP 15 -1.046 2.852 -11.021 1.00 0.00 GA2 ATOM 543 N ETA 16 -1.002 4.247 -12.746 1.00 0.00 GA2 ATOM 544 HN ETA 16 -1.525 4.789 -13.407 1.00 0.00 GA2 ATOM 545 CA ETA 16 0.352 4.695 -12.438 1.00 0.00 GA2 ATOM 546 HA1 ETA 16 1.143 3.891 -12.592 1.00 0.00 GA2 ATOM 547 HA2 ETA 16 0.304 4.992 -11.399 1.00 0.00 GA2 ATOM 548 CB ETA 16 0.839 5.929 -13.396 1.00 0.00 GA2 ATOM 549 HB1 ETA 16 1.170 5.440 -14.414 1.00 0.00 GA2 ATOM 550 HB2 ETA 16 0.005 6.634 -13.598 1.00 0.00 GA2 ATOM 551 OG ETA 16 1.955 6.541 -12.843 1.00 0.00 GA2 ATOM 552 HG1 ETA 16 2.465 6.906 -13.622 1.00 0.00 GA2 ATOM 553 N POPE 1 8.391 5.383 20.013 1.00 0.00 LA1 ATOM 554 HN1 POPE 1 9.008 5.197 20.793 1.00 0.00 LA1 ATOM 555 HN2 POPE 1 7.448 5.809 20.335 1.00 0.00 LA1 ATOM 556 HN3 POPE 1 8.028 4.425 19.606 1.00 0.00 LA1 ATOM 557 C12 POPE 1 9.007 6.311 19.107 1.00 0.00 LA1 ATOM 558 H12A POPE 1 9.147 5.811 18.070 1.00 0.00 LA1 ATOM 559 H12B POPE 1 9.969 6.560 19.497 1.00 0.00 LA1 ATOM 560 C11 POPE 1 8.087 7.525 18.946 1.00 0.00 LA1 ATOM 561 H11A POPE 1 8.016 7.837 20.042 1.00 0.00 LA1 ATOM 562 H11B POPE 1 8.519 8.376 18.265 1.00 0.00 LA1 ATOM 563 P POPE 1 5.691 8.320 18.340 1.00 0.00 LA1 ATOM 564 O13 POPE 1 4.319 7.627 18.366 1.00 0.00 LA1 ATOM 565 O14 POPE 1 5.897 9.376 19.328 1.00 0.00 LA1 ATOM 566 O11 POPE 1 5.955 8.935 16.930 1.00 0.00 LA1 ATOM 567 O12 POPE 1 6.753 7.219 18.571 1.00 0.00 LA1 ATOM 568 C1 POPE 1 6.080 8.198 15.722 1.00 0.00 LA1 ATOM 569 HA POPE 1 6.728 7.306 15.897 1.00 0.00 LA1 ATOM 570 HB POPE 1 5.114 7.821 15.424 1.00 0.00 LA1 ATOM 571 C2 POPE 1 6.540 9.057 14.481 1.00 0.00 LA1 ATOM 572 HS POPE 1 5.819 9.861 14.283 1.00 0.00 LA1 ATOM 573 O21 POPE 1 6.689 8.300 13.269 1.00 0.00 LA1 ATOM 574 C21 POPE 1 5.635 8.196 12.502 1.00 0.00 LA1 ATOM 575 O22 POPE 1 4.620 8.878 12.540 1.00 0.00 LA1 ATOM 576 C22 POPE 1 6.075 7.320 11.341 1.00 0.00 LA1 ATOM 577 H2R POPE 1 6.939 6.587 11.481 1.00 0.00 LA1 ATOM 578 H2S POPE 1 5.157 6.737 11.137 1.00 0.00 LA1 ATOM 579 C3 POPE 1 7.968 9.654 14.694 1.00 0.00 LA1 ATOM 580 HX POPE 1 8.107 10.163 13.734 1.00 0.00 LA1 ATOM 581 HY POPE 1 7.892 10.405 15.506 1.00 0.00 LA1 ATOM 582 O31 POPE 1 8.904 8.586 15.010 1.00 0.00 LA1 ATOM 583 C31 POPE 1 10.168 8.823 15.287 1.00 0.00 LA1 ATOM 584 O32 POPE 1 10.665 9.929 15.444 1.00 0.00 LA1 ATOM 585 C32 POPE 1 10.861 7.458 15.531 1.00 0.00 LA1 ATOM 586 H2X POPE 1 11.560 7.488 16.399 1.00 0.00 LA1 ATOM 587 H2Y POPE 1 10.063 6.716 15.707 1.00 0.00 LA1 ATOM 588 C23 POPE 1 6.262 8.361 10.196 1.00 0.00 LA1 ATOM 589 H3R POPE 1 5.274 8.932 10.013 1.00 0.00 LA1 ATOM 590 H3S POPE 1 7.062 9.103 10.391 1.00 0.00 LA1 ATOM 591 C24 POPE 1 6.541 7.682 8.794 1.00 0.00 LA1 ATOM 592 H4R POPE 1 7.267 6.846 8.803 1.00 0.00 LA1 ATOM 593 H4S POPE 1 5.544 7.151 8.668 1.00 0.00 LA1 ATOM 594 C25 POPE 1 6.819 8.659 7.671 1.00 0.00 LA1 ATOM 595 H5R POPE 1 6.020 9.412 7.748 1.00 0.00 LA1 ATOM 596 H5S POPE 1 7.791 9.118 7.917 1.00 0.00 LA1 ATOM 597 C26 POPE 1 6.862 8.049 6.290 1.00 0.00 LA1 ATOM 598 H6R POPE 1 7.686 7.396 6.413 1.00 0.00 LA1 ATOM 599 H6S POPE 1 5.964 7.483 6.029 1.00 0.00 LA1 ATOM 600 C27 POPE 1 7.070 9.035 5.072 1.00 0.00 LA1 ATOM 601 H7R POPE 1 6.213 9.793 4.998 1.00 0.00 LA1 ATOM 602 H7S POPE 1 8.036 9.625 5.238 1.00 0.00 LA1 ATOM 603 C28 POPE 1 7.150 8.128 3.886 1.00 0.00 LA1 ATOM 604 H8R POPE 1 7.798 7.251 4.155 1.00 0.00 LA1 ATOM 605 H8S POPE 1 6.173 7.682 3.584 1.00 0.00 LA1 ATOM 606 C29 POPE 1 7.959 8.613 2.760 1.00 0.00 LA1 ATOM 607 H91 POPE 1 8.958 8.990 2.961 1.00 0.00 LA1 ATOM 608 C210 POPE 1 7.622 8.462 1.437 1.00 0.00 LA1 ATOM 609 H101 POPE 1 8.221 9.067 0.702 1.00 0.00 LA1 ATOM 610 C211 POPE 1 6.361 7.925 0.828 1.00 0.00 LA1 ATOM 611 H11R POPE 1 6.023 7.170 1.501 1.00 0.00 LA1 ATOM 612 H11S POPE 1 5.654 8.692 1.029 1.00 0.00 LA1 ATOM 613 C212 POPE 1 6.325 7.327 -0.583 1.00 0.00 LA1 ATOM 614 H12R POPE 1 7.103 6.548 -0.612 1.00 0.00 LA1 ATOM 615 H12S POPE 1 5.261 6.955 -0.713 1.00 0.00 LA1 ATOM 616 C213 POPE 1 6.486 8.399 -1.684 1.00 0.00 LA1 ATOM 617 H13R POPE 1 5.749 9.298 -1.547 1.00 0.00 LA1 ATOM 618 H13S POPE 1 7.533 8.843 -1.612 1.00 0.00 LA1 ATOM 619 C214 POPE 1 6.303 7.771 -3.070 1.00 0.00 LA1 ATOM 620 H14R POPE 1 7.262 7.129 -3.346 1.00 0.00 LA1 ATOM 621 H14S POPE 1 5.473 7.107 -2.967 1.00 0.00 LA1 ATOM 622 C215 POPE 1 6.241 8.801 -4.220 1.00 0.00 LA1 ATOM 623 H15R POPE 1 5.359 9.527 -4.148 1.00 0.00 LA1 ATOM 624 H15S POPE 1 7.114 9.379 -4.004 1.00 0.00 LA1 ATOM 625 C216 POPE 1 6.240 8.071 -5.635 1.00 0.00 LA1 ATOM 626 H16R POPE 1 7.299 7.600 -5.666 1.00 0.00 LA1 ATOM 627 H16S POPE 1 5.513 7.187 -5.615 1.00 0.00 LA1 ATOM 628 C217 POPE 1 6.009 8.900 -6.868 1.00 0.00 LA1 ATOM 629 H17R POPE 1 5.080 9.429 -6.583 1.00 0.00 LA1 ATOM 630 H17S POPE 1 6.797 9.701 -7.007 1.00 0.00 LA1 ATOM 631 C218 POPE 1 5.801 8.128 -8.182 1.00 0.00 LA1 ATOM 632 H18R POPE 1 5.633 8.665 -9.141 1.00 0.00 LA1 ATOM 633 H18S POPE 1 6.703 7.429 -8.319 1.00 0.00 LA1 ATOM 634 H18T POPE 1 4.886 7.475 -8.025 1.00 0.00 LA1 ATOM 635 C33 POPE 1 11.650 7.075 14.220 1.00 0.00 LA1 ATOM 636 H3X POPE 1 12.524 7.830 14.072 1.00 0.00 LA1 ATOM 637 H3Y POPE 1 12.148 6.122 14.587 1.00 0.00 LA1 ATOM 638 C34 POPE 1 10.685 6.896 12.968 1.00 0.00 LA1 ATOM 639 H4X POPE 1 9.810 6.258 13.077 1.00 0.00 LA1 ATOM 640 H4Y POPE 1 10.374 7.889 12.679 1.00 0.00 LA1 ATOM 641 C35 POPE 1 11.392 6.386 11.670 1.00 0.00 LA1 ATOM 642 H5X POPE 1 12.129 7.182 11.353 1.00 0.00 LA1 ATOM 643 H5Y POPE 1 11.950 5.483 11.929 1.00 0.00 LA1 ATOM 644 C36 POPE 1 10.330 6.184 10.601 1.00 0.00 LA1 ATOM 645 H6X POPE 1 9.622 5.450 10.945 1.00 0.00 LA1 ATOM 646 H6Y POPE 1 9.680 7.025 10.462 1.00 0.00 LA1 ATOM 647 C37 POPE 1 10.915 5.759 9.211 1.00 0.00 LA1 ATOM 648 H7X POPE 1 11.551 6.652 8.924 1.00 0.00 LA1 ATOM 649 H7Y POPE 1 11.693 5.000 9.389 1.00 0.00 LA1 ATOM 650 C38 POPE 1 9.865 5.474 8.157 1.00 0.00 LA1 ATOM 651 H8X POPE 1 9.120 4.814 8.649 1.00 0.00 LA1 ATOM 652 H8Y POPE 1 9.354 6.413 8.131 1.00 0.00 LA1 ATOM 653 C39 POPE 1 10.345 4.946 6.778 1.00 0.00 LA1 ATOM 654 H9X POPE 1 11.210 4.330 6.970 1.00 0.00 LA1 ATOM 655 H9Y POPE 1 9.505 4.357 6.308 1.00 0.00 LA1 ATOM 656 C310 POPE 1 10.523 6.190 5.869 1.00 0.00 LA1 ATOM 657 H10X POPE 1 9.661 6.925 5.714 1.00 0.00 LA1 ATOM 658 H10Y POPE 1 11.301 6.741 6.361 1.00 0.00 LA1 ATOM 659 C311 POPE 1 10.789 5.685 4.426 1.00 0.00 LA1 ATOM 660 H11X POPE 1 11.539 4.849 4.497 1.00 0.00 LA1 ATOM 661 H11Y POPE 1 9.722 5.444 4.158 1.00 0.00 LA1 ATOM 662 C312 POPE 1 11.261 6.846 3.565 1.00 0.00 LA1 ATOM 663 H12X POPE 1 10.642 7.685 3.792 1.00 0.00 LA1 ATOM 664 H12Y POPE 1 12.302 7.096 3.852 1.00 0.00 LA1 ATOM 665 C313 POPE 1 11.332 6.556 2.081 1.00 0.00 LA1 ATOM 666 H13X POPE 1 11.940 5.682 1.830 1.00 0.00 LA1 ATOM 667 H13Y POPE 1 10.314 6.357 1.622 1.00 0.00 LA1 ATOM 668 C314 POPE 1 12.102 7.720 1.446 1.00 0.00 LA1 ATOM 669 H14X POPE 1 11.545 8.659 1.701 1.00 0.00 LA1 ATOM 670 H14Y POPE 1 13.143 7.733 1.919 1.00 0.00 LA1 ATOM 671 C315 POPE 1 12.322 7.765 -0.042 1.00 0.00 LA1 ATOM 672 H15X POPE 1 11.326 7.979 -0.541 1.00 0.00 LA1 ATOM 673 H15Y POPE 1 13.032 8.611 -0.269 1.00 0.00 LA1 ATOM 674 C316 POPE 1 12.840 6.496 -0.706 1.00 0.00 LA1 ATOM 675 H16X POPE 1 12.287 6.230 -1.596 1.00 0.00 LA1 ATOM 676 H16Y POPE 1 12.693 5.671 -0.016 1.00 0.00 LA1 ATOM 677 H16Z POPE 1 13.900 6.623 -1.029 1.00 0.00 LA1 ATOM 678 N POPE 1 1.471 8.065 20.088 1.00 0.00 LA2 ATOM 679 HN1 POPE 1 2.082 7.241 20.404 1.00 0.00 LA2 ATOM 680 HN2 POPE 1 2.093 8.621 19.487 1.00 0.00 LA2 ATOM 681 HN3 POPE 1 1.202 8.633 20.934 1.00 0.00 LA2 ATOM 682 C12 POPE 1 0.281 7.487 19.444 1.00 0.00 LA2 ATOM 683 H12A POPE 1 -0.356 6.909 20.066 1.00 0.00 LA2 ATOM 684 H12B POPE 1 0.705 6.794 18.644 1.00 0.00 LA2 ATOM 685 C11 POPE 1 -0.558 8.409 18.415 1.00 0.00 LA2 ATOM 686 H11A POPE 1 0.163 8.874 17.718 1.00 0.00 LA2 ATOM 687 H11B POPE 1 -1.266 7.866 17.873 1.00 0.00 LA2 ATOM 688 P POPE 1 -2.625 9.995 18.596 1.00 0.00 LA2 ATOM 689 O13 POPE 1 -3.494 8.843 18.150 1.00 0.00 LA2 ATOM 690 O14 POPE 1 -3.185 10.879 19.640 1.00 0.00 LA2 ATOM 691 O11 POPE 1 -2.184 10.948 17.397 1.00 0.00 LA2 ATOM 692 O12 POPE 1 -1.224 9.421 19.117 1.00 0.00 LA2 ATOM 693 C1 POPE 1 -1.825 10.691 16.104 1.00 0.00 LA2 ATOM 694 HA POPE 1 -1.125 9.848 16.031 1.00 0.00 LA2 ATOM 695 HB POPE 1 -2.722 10.479 15.534 1.00 0.00 LA2 ATOM 696 C2 POPE 1 -1.142 11.898 15.568 1.00 0.00 LA2 ATOM 697 HS POPE 1 -1.793 12.795 15.680 1.00 0.00 LA2 ATOM 698 O21 POPE 1 -0.964 11.745 14.154 1.00 0.00 LA2 ATOM 699 C21 POPE 1 -0.779 12.779 13.431 1.00 0.00 LA2 ATOM 700 O22 POPE 1 -0.820 13.940 13.774 1.00 0.00 LA2 ATOM 701 C22 POPE 1 -0.310 12.214 12.118 1.00 0.00 LA2 ATOM 702 H2R POPE 1 0.671 11.611 12.234 1.00 0.00 LA2 ATOM 703 H2S POPE 1 -1.147 11.558 11.824 1.00 0.00 LA2 ATOM 704 C3 POPE 1 0.145 12.206 16.247 1.00 0.00 LA2 ATOM 705 HX POPE 1 0.458 13.190 15.899 1.00 0.00 LA2 ATOM 706 HY POPE 1 0.006 12.149 17.369 1.00 0.00 LA2 ATOM 707 O31 POPE 1 1.206 11.380 15.855 1.00 0.00 LA2 ATOM 708 C31 POPE 1 2.274 11.548 16.580 1.00 0.00 LA2 ATOM 709 O32 POPE 1 2.231 12.026 17.677 1.00 0.00 LA2 ATOM 710 C32 POPE 1 3.604 11.118 15.925 1.00 0.00 LA2 ATOM 711 H2X POPE 1 4.084 10.426 16.596 1.00 0.00 LA2 ATOM 712 H2Y POPE 1 3.428 10.877 14.861 1.00 0.00 LA2 ATOM 713 C23 POPE 1 -0.044 13.220 10.951 1.00 0.00 LA2 ATOM 714 H3R POPE 1 -0.986 13.804 10.883 1.00 0.00 LA2 ATOM 715 H3S POPE 1 0.726 13.893 11.220 1.00 0.00 LA2 ATOM 716 C24 POPE 1 0.318 12.380 9.719 1.00 0.00 LA2 ATOM 717 H4R POPE 1 1.318 12.120 9.903 1.00 0.00 LA2 ATOM 718 H4S POPE 1 -0.199 11.467 9.773 1.00 0.00 LA2 ATOM 719 C25 POPE 1 0.101 13.008 8.343 1.00 0.00 LA2 ATOM 720 H5R POPE 1 -1.007 13.324 8.326 1.00 0.00 LA2 ATOM 721 H5S POPE 1 0.726 13.892 8.171 1.00 0.00 LA2 ATOM 722 C26 POPE 1 0.352 12.028 7.218 1.00 0.00 LA2 ATOM 723 H6R POPE 1 1.414 11.795 7.118 1.00 0.00 LA2 ATOM 724 H6S POPE 1 -0.280 11.042 7.407 1.00 0.00 LA2 ATOM 725 C27 POPE 1 -0.191 12.581 5.863 1.00 0.00 LA2 ATOM 726 H7R POPE 1 -1.300 12.550 5.905 1.00 0.00 LA2 ATOM 727 H7S POPE 1 0.140 13.603 5.703 1.00 0.00 LA2 ATOM 728 C28 POPE 1 0.223 11.577 4.700 1.00 0.00 LA2 ATOM 729 H8R POPE 1 1.394 11.503 4.819 1.00 0.00 LA2 ATOM 730 H8S POPE 1 -0.353 10.660 4.825 1.00 0.00 LA2 ATOM 731 C29 POPE 1 -0.140 12.243 3.408 1.00 0.00 LA2 ATOM 732 H91 POPE 1 0.044 13.317 3.323 1.00 0.00 LA2 ATOM 733 C210 POPE 1 -0.695 11.670 2.323 1.00 0.00 LA2 ATOM 734 H101 POPE 1 -0.870 12.437 1.441 1.00 0.00 LA2 ATOM 735 C211 POPE 1 -1.140 10.239 2.150 1.00 0.00 LA2 ATOM 736 H11R POPE 1 -0.697 9.503 2.818 1.00 0.00 LA2 ATOM 737 H11S POPE 1 -2.224 10.204 2.217 1.00 0.00 LA2 ATOM 738 C212 POPE 1 -0.712 9.578 0.795 1.00 0.00 LA2 ATOM 739 H12R POPE 1 0.192 10.141 0.431 1.00 0.00 LA2 ATOM 740 H12S POPE 1 -0.547 8.487 1.004 1.00 0.00 LA2 ATOM 741 C213 POPE 1 -1.876 9.632 -0.215 1.00 0.00 LA2 ATOM 742 H13R POPE 1 -2.716 9.111 0.221 1.00 0.00 LA2 ATOM 743 H13S POPE 1 -2.229 10.625 -0.282 1.00 0.00 LA2 ATOM 744 C214 POPE 1 -1.476 9.110 -1.638 1.00 0.00 LA2 ATOM 745 H14R POPE 1 -0.518 9.552 -1.955 1.00 0.00 LA2 ATOM 746 H14S POPE 1 -1.186 8.055 -1.422 1.00 0.00 LA2 ATOM 747 C215 POPE 1 -2.605 9.060 -2.686 1.00 0.00 LA2 ATOM 748 H15R POPE 1 -3.369 8.472 -2.207 1.00 0.00 LA2 ATOM 749 H15S POPE 1 -3.026 10.082 -2.935 1.00 0.00 LA2 ATOM 750 C216 POPE 1 -2.377 8.551 -4.075 1.00 0.00 LA2 ATOM 751 H16R POPE 1 -1.547 9.013 -4.522 1.00 0.00 LA2 ATOM 752 H16S POPE 1 -2.077 7.502 -3.995 1.00 0.00 LA2 ATOM 753 C217 POPE 1 -3.480 8.810 -5.084 1.00 0.00 LA2 ATOM 754 H17R POPE 1 -4.417 8.263 -4.782 1.00 0.00 LA2 ATOM 755 H17S POPE 1 -3.798 9.902 -4.956 1.00 0.00 LA2 ATOM 756 C218 POPE 1 -3.045 8.523 -6.476 1.00 0.00 LA2 ATOM 757 H18R POPE 1 -3.398 9.258 -7.229 1.00 0.00 LA2 ATOM 758 H18S POPE 1 -1.927 8.508 -6.607 1.00 0.00 LA2 ATOM 759 H18T POPE 1 -3.435 7.574 -6.884 1.00 0.00 LA2 ATOM 760 C33 POPE 1 4.566 12.416 15.865 1.00 0.00 LA2 ATOM 761 H3X POPE 1 4.511 12.984 16.848 1.00 0.00 LA2 ATOM 762 H3Y POPE 1 5.568 12.004 15.801 1.00 0.00 LA2 ATOM 763 C34 POPE 1 4.230 13.383 14.653 1.00 0.00 LA2 ATOM 764 H4X POPE 1 3.109 13.479 14.604 1.00 0.00 LA2 ATOM 765 H4Y POPE 1 4.719 14.378 14.836 1.00 0.00 LA2 ATOM 766 C35 POPE 1 4.679 12.970 13.246 1.00 0.00 LA2 ATOM 767 H5X POPE 1 5.728 12.763 13.398 1.00 0.00 LA2 ATOM 768 H5Y POPE 1 4.120 12.026 13.063 1.00 0.00 LA2 ATOM 769 C36 POPE 1 4.381 13.973 12.127 1.00 0.00 LA2 ATOM 770 H6X POPE 1 3.241 14.177 12.160 1.00 0.00 LA2 ATOM 771 H6Y POPE 1 4.894 14.996 12.256 1.00 0.00 LA2 ATOM 772 C37 POPE 1 4.726 13.425 10.739 1.00 0.00 LA2 ATOM 773 H7X POPE 1 5.862 13.320 10.737 1.00 0.00 LA2 ATOM 774 H7Y POPE 1 4.317 12.396 10.796 1.00 0.00 LA2 ATOM 775 C38 POPE 1 4.184 14.104 9.494 1.00 0.00 LA2 ATOM 776 H8X POPE 1 3.070 14.147 9.523 1.00 0.00 LA2 ATOM 777 H8Y POPE 1 4.561 15.148 9.420 1.00 0.00 LA2 ATOM 778 C39 POPE 1 4.453 13.260 8.223 1.00 0.00 LA2 ATOM 779 H9X POPE 1 5.523 13.080 8.181 1.00 0.00 LA2 ATOM 780 H9Y POPE 1 3.998 12.207 8.352 1.00 0.00 LA2 ATOM 781 C310 POPE 1 3.991 13.898 6.945 1.00 0.00 LA2 ATOM 782 H10X POPE 1 2.937 14.308 6.982 1.00 0.00 LA2 ATOM 783 H10Y POPE 1 4.582 14.801 6.803 1.00 0.00 LA2 ATOM 784 C311 POPE 1 4.137 12.993 5.695 1.00 0.00 LA2 ATOM 785 H11X POPE 1 5.156 12.522 5.692 1.00 0.00 LA2 ATOM 786 H11Y POPE 1 3.434 12.163 5.757 1.00 0.00 LA2 ATOM 787 C312 POPE 1 3.999 13.709 4.354 1.00 0.00 LA2 ATOM 788 H12X POPE 1 4.882 14.329 4.138 1.00 0.00 LA2 ATOM 789 H12Y POPE 1 3.988 12.842 3.631 1.00 0.00 LA2 ATOM 790 C313 POPE 1 2.772 14.618 4.014 1.00 0.00 LA2 ATOM 791 H13X POPE 1 1.818 14.047 3.954 1.00 0.00 LA2 ATOM 792 H13Y POPE 1 2.643 15.250 4.958 1.00 0.00 LA2 ATOM 793 C314 POPE 1 2.978 15.542 2.830 1.00 0.00 LA2 ATOM 794 H14X POPE 1 2.027 16.116 2.661 1.00 0.00 LA2 ATOM 795 H14Y POPE 1 3.813 16.195 3.041 1.00 0.00 LA2 ATOM 796 C315 POPE 1 3.240 14.808 1.493 1.00 0.00 LA2 ATOM 797 H15X POPE 1 4.189 14.265 1.640 1.00 0.00 LA2 ATOM 798 H15Y POPE 1 2.511 14.065 1.334 1.00 0.00 LA2 ATOM 799 C316 POPE 1 3.200 15.743 0.195 1.00 0.00 LA2 ATOM 800 H16X POPE 1 2.334 16.408 0.333 1.00 0.00 LA2 ATOM 801 H16Y POPE 1 3.189 15.211 -0.715 1.00 0.00 LA2 ATOM 802 H16Z POPE 1 4.168 16.203 0.210 1.00 0.00 LA2 ATOM 803 N POPE 1 -6.937 7.022 20.413 1.00 0.00 LA3 ATOM 804 HN1 POPE 1 -7.683 7.613 19.956 1.00 0.00 LA3 ATOM 805 HN2 POPE 1 -7.469 6.253 20.999 1.00 0.00 LA3 ATOM 806 HN3 POPE 1 -6.267 7.613 21.041 1.00 0.00 LA3 ATOM 807 C12 POPE 1 -6.036 6.362 19.422 1.00 0.00 LA3 ATOM 808 H12A POPE 1 -5.433 5.613 20.042 1.00 0.00 LA3 ATOM 809 H12B POPE 1 -5.442 7.148 18.957 1.00 0.00 LA3 ATOM 810 C11 POPE 1 -6.785 5.735 18.230 1.00 0.00 LA3 ATOM 811 H11A POPE 1 -6.842 6.475 17.429 1.00 0.00 LA3 ATOM 812 H11B POPE 1 -6.044 5.034 17.811 1.00 0.00 LA3 ATOM 813 P POPE 1 -8.829 4.309 17.621 1.00 0.00 LA3 ATOM 814 O13 POPE 1 -7.989 3.215 17.008 1.00 0.00 LA3 ATOM 815 O14 POPE 1 -9.950 3.866 18.366 1.00 0.00 LA3 ATOM 816 O11 POPE 1 -9.288 5.387 16.547 1.00 0.00 LA3 ATOM 817 O12 POPE 1 -8.030 5.164 18.663 1.00 0.00 LA3 ATOM 818 C1 POPE 1 -8.617 5.530 15.274 1.00 0.00 LA3 ATOM 819 HA POPE 1 -7.450 5.618 15.406 1.00 0.00 LA3 ATOM 820 HB POPE 1 -8.863 4.608 14.645 1.00 0.00 LA3 ATOM 821 C2 POPE 1 -9.160 6.750 14.599 1.00 0.00 LA3 ATOM 822 HS POPE 1 -10.210 6.598 14.382 1.00 0.00 LA3 ATOM 823 O21 POPE 1 -8.434 7.019 13.404 1.00 0.00 LA3 ATOM 824 C21 POPE 1 -8.869 6.344 12.304 1.00 0.00 LA3 ATOM 825 O22 POPE 1 -9.688 5.423 12.344 1.00 0.00 LA3 ATOM 826 C22 POPE 1 -8.119 6.698 11.002 1.00 0.00 LA3 ATOM 827 H2R POPE 1 -7.561 7.677 11.181 1.00 0.00 LA3 ATOM 828 H2S POPE 1 -7.327 5.972 10.740 1.00 0.00 LA3 ATOM 829 C3 POPE 1 -9.060 7.976 15.467 1.00 0.00 LA3 ATOM 830 HX POPE 1 -9.749 8.718 14.999 1.00 0.00 LA3 ATOM 831 HY POPE 1 -9.483 7.824 16.491 1.00 0.00 LA3 ATOM 832 O31 POPE 1 -7.679 8.492 15.540 1.00 0.00 LA3 ATOM 833 C31 POPE 1 -7.732 9.647 16.104 1.00 0.00 LA3 ATOM 834 O32 POPE 1 -8.745 10.287 16.400 1.00 0.00 LA3 ATOM 835 C32 POPE 1 -6.332 10.212 16.398 1.00 0.00 LA3 ATOM 836 H2X POPE 1 -6.348 10.323 17.451 1.00 0.00 LA3 ATOM 837 H2Y POPE 1 -5.510 9.414 16.196 1.00 0.00 LA3 ATOM 838 C23 POPE 1 -9.101 6.820 9.765 1.00 0.00 LA3 ATOM 839 H3R POPE 1 -9.672 5.863 9.644 1.00 0.00 LA3 ATOM 840 H3S POPE 1 -9.854 7.642 9.923 1.00 0.00 LA3 ATOM 841 C24 POPE 1 -8.429 7.048 8.397 1.00 0.00 LA3 ATOM 842 H4R POPE 1 -7.703 7.892 8.532 1.00 0.00 LA3 ATOM 843 H4S POPE 1 -7.739 6.141 8.261 1.00 0.00 LA3 ATOM 844 C25 POPE 1 -9.323 7.100 7.204 1.00 0.00 LA3 ATOM 845 H5R POPE 1 -10.307 6.628 7.295 1.00 0.00 LA3 ATOM 846 H5S POPE 1 -9.418 8.206 7.019 1.00 0.00 LA3 ATOM 847 C26 POPE 1 -8.767 6.423 5.914 1.00 0.00 LA3 ATOM 848 H6R POPE 1 -7.677 6.717 5.913 1.00 0.00 LA3 ATOM 849 H6S POPE 1 -8.670 5.321 6.024 1.00 0.00 LA3 ATOM 850 C27 POPE 1 -9.507 6.927 4.701 1.00 0.00 LA3 ATOM 851 H7R POPE 1 -10.609 6.860 4.864 1.00 0.00 LA3 ATOM 852 H7S POPE 1 -9.269 8.001 4.626 1.00 0.00 LA3 ATOM 853 C28 POPE 1 -9.208 6.098 3.446 1.00 0.00 LA3 ATOM 854 H8R POPE 1 -8.165 6.375 3.128 1.00 0.00 LA3 ATOM 855 H8S POPE 1 -9.213 5.002 3.629 1.00 0.00 LA3 ATOM 856 C29 POPE 1 -10.353 6.472 2.453 1.00 0.00 LA3 ATOM 857 H91 POPE 1 -10.756 7.445 2.750 1.00 0.00 LA3 ATOM 858 C210 POPE 1 -10.802 5.760 1.417 1.00 0.00 LA3 ATOM 859 H101 POPE 1 -11.661 6.213 0.902 1.00 0.00 LA3 ATOM 860 C211 POPE 1 -10.277 4.402 0.885 1.00 0.00 LA3 ATOM 861 H11R POPE 1 -9.396 4.106 1.476 1.00 0.00 LA3 ATOM 862 H11S POPE 1 -10.954 3.549 0.935 1.00 0.00 LA3 ATOM 863 C212 POPE 1 -9.791 4.650 -0.573 1.00 0.00 LA3 ATOM 864 H12R POPE 1 -9.086 5.570 -0.652 1.00 0.00 LA3 ATOM 865 H12S POPE 1 -9.167 3.765 -0.788 1.00 0.00 LA3 ATOM 866 C213 POPE 1 -10.884 4.601 -1.602 1.00 0.00 LA3 ATOM 867 H13R POPE 1 -11.405 3.681 -1.805 1.00 0.00 LA3 ATOM 868 H13S POPE 1 -11.664 5.329 -1.291 1.00 0.00 LA3 ATOM 869 C214 POPE 1 -10.328 4.917 -2.956 1.00 0.00 LA3 ATOM 870 H14R POPE 1 -10.072 5.973 -2.995 1.00 0.00 LA3 ATOM 871 H14S POPE 1 -9.537 4.246 -3.281 1.00 0.00 LA3 ATOM 872 C215 POPE 1 -11.342 4.779 -4.090 1.00 0.00 LA3 ATOM 873 H15R POPE 1 -11.576 3.740 -4.229 1.00 0.00 LA3 ATOM 874 H15S POPE 1 -12.233 5.374 -3.956 1.00 0.00 LA3 ATOM 875 C216 POPE 1 -10.643 5.278 -5.451 1.00 0.00 LA3 ATOM 876 H16R POPE 1 -10.501 6.376 -5.542 1.00 0.00 LA3 ATOM 877 H16S POPE 1 -9.672 4.726 -5.407 1.00 0.00 LA3 ATOM 878 C217 POPE 1 -11.509 4.794 -6.678 1.00 0.00 LA3 ATOM 879 H17R POPE 1 -11.448 3.641 -6.675 1.00 0.00 LA3 ATOM 880 H17S POPE 1 -12.606 4.990 -6.483 1.00 0.00 LA3 ATOM 881 C218 POPE 1 -11.127 5.286 -8.084 1.00 0.00 LA3 ATOM 882 H18R POPE 1 -10.390 4.712 -8.529 1.00 0.00 LA3 ATOM 883 H18S POPE 1 -12.034 5.178 -8.757 1.00 0.00 LA3 ATOM 884 H18T POPE 1 -10.795 6.372 -8.084 1.00 0.00 LA3 ATOM 885 C33 POPE 1 -6.016 11.435 15.572 1.00 0.00 LA3 ATOM 886 H3X POPE 1 -6.935 12.041 15.459 1.00 0.00 LA3 ATOM 887 H3Y POPE 1 -5.298 12.027 16.145 1.00 0.00 LA3 ATOM 888 C34 POPE 1 -5.375 11.117 14.266 1.00 0.00 LA3 ATOM 889 H4X POPE 1 -4.627 10.283 14.305 1.00 0.00 LA3 ATOM 890 H4Y POPE 1 -6.263 10.784 13.698 1.00 0.00 LA3 ATOM 891 C35 POPE 1 -4.842 12.302 13.504 1.00 0.00 LA3 ATOM 892 H5X POPE 1 -5.619 13.163 13.526 1.00 0.00 LA3 ATOM 893 H5Y POPE 1 -3.870 12.749 13.914 1.00 0.00 LA3 ATOM 894 C36 POPE 1 -4.535 11.918 12.006 1.00 0.00 LA3 ATOM 895 H6X POPE 1 -3.768 11.068 12.069 1.00 0.00 LA3 ATOM 896 H6Y POPE 1 -5.459 11.557 11.585 1.00 0.00 LA3 ATOM 897 C37 POPE 1 -4.046 13.109 11.154 1.00 0.00 LA3 ATOM 898 H7X POPE 1 -4.737 13.866 11.476 1.00 0.00 LA3 ATOM 899 H7Y POPE 1 -2.970 13.397 11.432 1.00 0.00 LA3 ATOM 900 C38 POPE 1 -4.153 12.855 9.685 1.00 0.00 LA3 ATOM 901 H8X POPE 1 -3.509 12.035 9.346 1.00 0.00 LA3 ATOM 902 H8Y POPE 1 -5.237 12.669 9.520 1.00 0.00 LA3 ATOM 903 C39 POPE 1 -3.838 14.018 8.755 1.00 0.00 LA3 ATOM 904 H9X POPE 1 -4.499 14.869 8.925 1.00 0.00 LA3 ATOM 905 H9Y POPE 1 -2.812 14.235 9.031 1.00 0.00 LA3 ATOM 906 C310 POPE 1 -3.876 13.569 7.281 1.00 0.00 LA3 ATOM 907 H10X POPE 1 -3.065 12.867 6.980 1.00 0.00 LA3 ATOM 908 H10Y POPE 1 -4.794 12.907 7.100 1.00 0.00 LA3 ATOM 909 C311 POPE 1 -3.879 14.664 6.188 1.00 0.00 LA3 ATOM 910 H11X POPE 1 -4.754 15.291 6.264 1.00 0.00 LA3 ATOM 911 H11Y POPE 1 -3.078 15.343 6.469 1.00 0.00 LA3 ATOM 912 C312 POPE 1 -3.694 14.071 4.760 1.00 0.00 LA3 ATOM 913 H12X POPE 1 -2.669 13.570 4.709 1.00 0.00 LA3 ATOM 914 H12Y POPE 1 -4.469 13.292 4.623 1.00 0.00 LA3 ATOM 915 C313 POPE 1 -3.775 15.120 3.688 1.00 0.00 LA3 ATOM 916 H13X POPE 1 -4.762 15.471 3.612 1.00 0.00 LA3 ATOM 917 H13Y POPE 1 -3.129 16.045 3.915 1.00 0.00 LA3 ATOM 918 C314 POPE 1 -3.281 14.557 2.321 1.00 0.00 LA3 ATOM 919 H14X POPE 1 -3.493 15.401 1.602 1.00 0.00 LA3 ATOM 920 H14Y POPE 1 -2.228 14.273 2.293 1.00 0.00 LA3 ATOM 921 C315 POPE 1 -4.083 13.312 1.867 1.00 0.00 LA3 ATOM 922 H15X POPE 1 -3.924 12.434 2.571 1.00 0.00 LA3 ATOM 923 H15Y POPE 1 -5.213 13.477 1.961 1.00 0.00 LA3 ATOM 924 C316 POPE 1 -3.806 12.977 0.436 1.00 0.00 LA3 ATOM 925 H16X POPE 1 -2.678 12.732 0.242 1.00 0.00 LA3 ATOM 926 H16Y POPE 1 -4.030 13.857 -0.193 1.00 0.00 LA3 ATOM 927 H16Z POPE 1 -4.381 12.198 -0.019 1.00 0.00 LA3 ATOM 928 N POPE 1 -8.301 0.816 18.475 1.00 0.00 LA4 ATOM 929 HN1 POPE 1 -8.243 1.704 17.971 1.00 0.00 LA4 ATOM 930 HN2 POPE 1 -7.894 0.945 19.442 1.00 0.00 LA4 ATOM 931 HN3 POPE 1 -7.650 0.075 18.077 1.00 0.00 LA4 ATOM 932 C12 POPE 1 -9.738 0.381 18.439 1.00 0.00 LA4 ATOM 933 H12A POPE 1 -10.092 0.524 17.384 1.00 0.00 LA4 ATOM 934 H12B POPE 1 -10.303 1.031 19.091 1.00 0.00 LA4 ATOM 935 C11 POPE 1 -9.792 -1.105 18.907 1.00 0.00 LA4 ATOM 936 H11A POPE 1 -9.428 -1.233 19.894 1.00 0.00 LA4 ATOM 937 H11B POPE 1 -10.838 -1.256 18.848 1.00 0.00 LA4 ATOM 938 P POPE 1 -9.160 -3.540 18.052 1.00 0.00 LA4 ATOM 939 O13 POPE 1 -7.813 -4.084 18.111 1.00 0.00 LA4 ATOM 940 O14 POPE 1 -10.110 -3.956 19.058 1.00 0.00 LA4 ATOM 941 O11 POPE 1 -9.905 -3.884 16.645 1.00 0.00 LA4 ATOM 942 O12 POPE 1 -8.999 -1.965 18.025 1.00 0.00 LA4 ATOM 943 C1 POPE 1 -9.394 -3.392 15.432 1.00 0.00 LA4 ATOM 944 HA POPE 1 -8.890 -2.463 15.500 1.00 0.00 LA4 ATOM 945 HB POPE 1 -8.704 -4.173 15.047 1.00 0.00 LA4 ATOM 946 C2 POPE 1 -10.537 -3.263 14.373 1.00 0.00 LA4 ATOM 947 HS POPE 1 -11.161 -4.212 14.233 1.00 0.00 LA4 ATOM 948 O21 POPE 1 -9.998 -2.868 13.124 1.00 0.00 LA4 ATOM 949 C21 POPE 1 -10.516 -3.192 12.022 1.00 0.00 LA4 ATOM 950 O22 POPE 1 -11.464 -4.004 11.840 1.00 0.00 LA4 ATOM 951 C22 POPE 1 -9.880 -2.396 10.808 1.00 0.00 LA4 ATOM 952 H2R POPE 1 -10.164 -1.317 10.810 1.00 0.00 LA4 ATOM 953 H2S POPE 1 -8.773 -2.463 10.938 1.00 0.00 LA4 ATOM 954 C3 POPE 1 -11.610 -2.139 14.748 1.00 0.00 LA4 ATOM 955 HX POPE 1 -12.394 -2.213 14.010 1.00 0.00 LA4 ATOM 956 HY POPE 1 -12.025 -2.391 15.726 1.00 0.00 LA4 ATOM 957 O31 POPE 1 -11.099 -0.833 14.820 1.00 0.00 LA4 ATOM 958 C31 POPE 1 -11.282 0.068 13.878 1.00 0.00 LA4 ATOM 959 O32 POPE 1 -11.857 -0.167 12.792 1.00 0.00 LA4 ATOM 960 C32 POPE 1 -10.498 1.295 14.113 1.00 0.00 LA4 ATOM 961 H2X POPE 1 -10.008 1.308 15.109 1.00 0.00 LA4 ATOM 962 H2Y POPE 1 -9.673 1.295 13.427 1.00 0.00 LA4 ATOM 963 C23 POPE 1 -10.225 -3.109 9.419 1.00 0.00 LA4 ATOM 964 H3R POPE 1 -9.985 -4.186 9.493 1.00 0.00 LA4 ATOM 965 H3S POPE 1 -11.328 -2.957 9.224 1.00 0.00 LA4 ATOM 966 C24 POPE 1 -9.274 -2.526 8.382 1.00 0.00 LA4 ATOM 967 H4R POPE 1 -9.211 -1.474 8.587 1.00 0.00 LA4 ATOM 968 H4S POPE 1 -8.272 -2.880 8.584 1.00 0.00 LA4 ATOM 969 C25 POPE 1 -9.656 -2.868 6.971 1.00 0.00 LA4 ATOM 970 H5R POPE 1 -9.587 -3.992 6.892 1.00 0.00 LA4 ATOM 971 H5S POPE 1 -10.707 -2.434 6.796 1.00 0.00 LA4 ATOM 972 C26 POPE 1 -8.722 -2.367 5.935 1.00 0.00 LA4 ATOM 973 H6R POPE 1 -8.541 -1.292 6.140 1.00 0.00 LA4 ATOM 974 H6S POPE 1 -7.789 -2.995 5.969 1.00 0.00 LA4 ATOM 975 C27 POPE 1 -9.398 -2.504 4.549 1.00 0.00 LA4 ATOM 976 H7R POPE 1 -9.422 -3.610 4.258 1.00 0.00 LA4 ATOM 977 H7S POPE 1 -10.432 -2.107 4.639 1.00 0.00 LA4 ATOM 978 C28 POPE 1 -8.723 -1.761 3.334 1.00 0.00 LA4 ATOM 979 H8R POPE 1 -8.844 -0.682 3.561 1.00 0.00 LA4 ATOM 980 H8S POPE 1 -7.687 -2.094 3.334 1.00 0.00 LA4 ATOM 981 C29 POPE 1 -9.577 -2.141 2.087 1.00 0.00 LA4 ATOM 982 H91 POPE 1 -10.663 -2.389 2.203 1.00 0.00 LA4 ATOM 983 C210 POPE 1 -9.251 -2.110 0.802 1.00 0.00 LA4 ATOM 984 H101 POPE 1 -10.141 -2.368 0.165 1.00 0.00 LA4 ATOM 985 C211 POPE 1 -7.915 -1.760 0.167 1.00 0.00 LA4 ATOM 986 H11R POPE 1 -7.392 -0.964 0.708 1.00 0.00 LA4 ATOM 987 H11S POPE 1 -7.376 -2.681 0.270 1.00 0.00 LA4 ATOM 988 C212 POPE 1 -8.052 -1.460 -1.330 1.00 0.00 LA4 ATOM 989 H12R POPE 1 -8.652 -0.605 -1.544 1.00 0.00 LA4 ATOM 990 H12S POPE 1 -7.039 -1.254 -1.793 1.00 0.00 LA4 ATOM 991 C213 POPE 1 -8.768 -2.562 -2.051 1.00 0.00 LA4 ATOM 992 H13R POPE 1 -8.374 -3.538 -1.878 1.00 0.00 LA4 ATOM 993 H13S POPE 1 -9.844 -2.666 -1.724 1.00 0.00 LA4 ATOM 994 C214 POPE 1 -8.735 -2.114 -3.574 1.00 0.00 LA4 ATOM 995 H14R POPE 1 -9.187 -1.105 -3.731 1.00 0.00 LA4 ATOM 996 H14S POPE 1 -7.667 -1.951 -3.999 1.00 0.00 LA4 ATOM 997 C215 POPE 1 -9.381 -3.149 -4.535 1.00 0.00 LA4 ATOM 998 H15R POPE 1 -8.679 -4.069 -4.516 1.00 0.00 LA4 ATOM 999 H15S POPE 1 -10.442 -3.469 -4.226 1.00 0.00 LA4 ATOM 1000 C216 POPE 1 -9.346 -2.684 -6.032 1.00 0.00 LA4 ATOM 1001 H16R POPE 1 -10.169 -1.861 -6.154 1.00 0.00 LA4 ATOM 1002 H16S POPE 1 -8.332 -2.238 -6.182 1.00 0.00 LA4 ATOM 1003 C217 POPE 1 -9.761 -3.841 -6.873 1.00 0.00 LA4 ATOM 1004 H17R POPE 1 -9.147 -4.713 -6.642 1.00 0.00 LA4 ATOM 1005 H17S POPE 1 -10.817 -4.063 -6.484 1.00 0.00 LA4 ATOM 1006 C218 POPE 1 -9.727 -3.630 -8.430 1.00 0.00 LA4 ATOM 1007 H18R POPE 1 -10.047 -4.502 -9.023 1.00 0.00 LA4 ATOM 1008 H18S POPE 1 -10.353 -2.790 -8.731 1.00 0.00 LA4 ATOM 1009 H18T POPE 1 -8.690 -3.486 -8.717 1.00 0.00 LA4 ATOM 1010 C33 POPE 1 -11.196 2.668 13.843 1.00 0.00 LA4 ATOM 1011 H3X POPE 1 -10.691 3.563 14.190 1.00 0.00 LA4 ATOM 1012 H3Y POPE 1 -11.305 2.683 12.759 1.00 0.00 LA4 ATOM 1013 C34 POPE 1 -12.507 2.820 14.663 1.00 0.00 LA4 ATOM 1014 H4X POPE 1 -13.110 1.941 14.412 1.00 0.00 LA4 ATOM 1015 H4Y POPE 1 -12.383 2.847 15.759 1.00 0.00 LA4 ATOM 1016 C35 POPE 1 -13.349 4.018 14.260 1.00 0.00 LA4 ATOM 1017 H5X POPE 1 -14.182 4.025 15.071 1.00 0.00 LA4 ATOM 1018 H5Y POPE 1 -12.754 4.922 14.311 1.00 0.00 LA4 ATOM 1019 C36 POPE 1 -13.910 3.835 12.850 1.00 0.00 LA4 ATOM 1020 H6X POPE 1 -13.149 3.317 12.177 1.00 0.00 LA4 ATOM 1021 H6Y POPE 1 -14.711 3.059 12.999 1.00 0.00 LA4 ATOM 1022 C37 POPE 1 -14.380 5.209 12.244 1.00 0.00 LA4 ATOM 1023 H7X POPE 1 -15.216 5.669 12.868 1.00 0.00 LA4 ATOM 1024 H7Y POPE 1 -13.521 5.966 12.353 1.00 0.00 LA4 ATOM 1025 C38 POPE 1 -14.660 5.047 10.708 1.00 0.00 LA4 ATOM 1026 H8X POPE 1 -13.737 4.553 10.353 1.00 0.00 LA4 ATOM 1027 H8Y POPE 1 -15.612 4.363 10.585 1.00 0.00 LA4 ATOM 1028 C39 POPE 1 -14.887 6.375 9.883 1.00 0.00 LA4 ATOM 1029 H9X POPE 1 -15.926 6.669 9.835 1.00 0.00 LA4 ATOM 1030 H9Y POPE 1 -14.294 7.092 10.391 1.00 0.00 LA4 ATOM 1031 C310 POPE 1 -14.317 6.267 8.461 1.00 0.00 LA4 ATOM 1032 H10X POPE 1 -14.643 7.185 7.839 1.00 0.00 LA4 ATOM 1033 H10Y POPE 1 -13.138 6.418 8.509 1.00 0.00 LA4 ATOM 1034 C311 POPE 1 -14.687 5.036 7.604 1.00 0.00 LA4 ATOM 1035 H11X POPE 1 -14.184 4.124 8.111 1.00 0.00 LA4 ATOM 1036 H11Y POPE 1 -15.839 4.922 7.611 1.00 0.00 LA4 ATOM 1037 C312 POPE 1 -14.149 5.076 6.156 1.00 0.00 LA4 ATOM 1038 H12X POPE 1 -14.678 6.002 5.705 1.00 0.00 LA4 ATOM 1039 H12Y POPE 1 -13.045 5.322 6.300 1.00 0.00 LA4 ATOM 1040 C313 POPE 1 -14.278 3.735 5.367 1.00 0.00 LA4 ATOM 1041 H13X POPE 1 -13.572 2.979 5.657 1.00 0.00 LA4 ATOM 1042 H13Y POPE 1 -15.264 3.251 5.546 1.00 0.00 LA4 ATOM 1043 C314 POPE 1 -14.007 3.905 3.834 1.00 0.00 LA4 ATOM 1044 H14X POPE 1 -12.928 3.879 3.689 1.00 0.00 LA4 ATOM 1045 H14Y POPE 1 -14.457 3.060 3.385 1.00 0.00 LA4 ATOM 1046 C315 POPE 1 -14.528 5.184 3.173 1.00 0.00 LA4 ATOM 1047 H15X POPE 1 -15.508 5.686 3.460 1.00 0.00 LA4 ATOM 1048 H15Y POPE 1 -13.769 5.971 3.287 1.00 0.00 LA4 ATOM 1049 C316 POPE 1 -14.624 4.781 1.758 1.00 0.00 LA4 ATOM 1050 H16X POPE 1 -15.306 3.967 1.478 1.00 0.00 LA4 ATOM 1051 H16Y POPE 1 -13.589 4.603 1.337 1.00 0.00 LA4 ATOM 1052 H16Z POPE 1 -15.043 5.661 1.140 1.00 0.00 LA4 ATOM 1053 N POPE 1 -9.138 -7.583 20.886 1.00 0.00 LA5 ATOM 1054 HN1 POPE 1 -9.918 -7.307 21.461 1.00 0.00 LA5 ATOM 1055 HN2 POPE 1 -9.296 -8.613 20.737 1.00 0.00 LA5 ATOM 1056 HN3 POPE 1 -8.243 -7.408 21.452 1.00 0.00 LA5 ATOM 1057 C12 POPE 1 -8.885 -6.930 19.585 1.00 0.00 LA5 ATOM 1058 H12A POPE 1 -8.489 -5.921 19.820 1.00 0.00 LA5 ATOM 1059 H12B POPE 1 -9.899 -6.750 19.140 1.00 0.00 LA5 ATOM 1060 C11 POPE 1 -7.953 -7.760 18.657 1.00 0.00 LA5 ATOM 1061 H11A POPE 1 -8.479 -8.736 18.521 1.00 0.00 LA5 ATOM 1062 H11B POPE 1 -7.951 -7.219 17.673 1.00 0.00 LA5 ATOM 1063 P POPE 1 -5.375 -8.257 18.431 1.00 0.00 LA5 ATOM 1064 O13 POPE 1 -4.899 -7.019 17.799 1.00 0.00 LA5 ATOM 1065 O14 POPE 1 -4.496 -9.058 19.382 1.00 0.00 LA5 ATOM 1066 O11 POPE 1 -5.837 -9.276 17.328 1.00 0.00 LA5 ATOM 1067 O12 POPE 1 -6.663 -8.007 19.157 1.00 0.00 LA5 ATOM 1068 C1 POPE 1 -5.635 -8.939 15.999 1.00 0.00 LA5 ATOM 1069 HA POPE 1 -5.737 -7.848 15.762 1.00 0.00 LA5 ATOM 1070 HB POPE 1 -4.609 -9.200 15.705 1.00 0.00 LA5 ATOM 1071 C2 POPE 1 -6.617 -9.758 15.083 1.00 0.00 LA5 ATOM 1072 HS POPE 1 -6.205 -10.847 15.107 1.00 0.00 LA5 ATOM 1073 O21 POPE 1 -6.563 -9.122 13.778 1.00 0.00 LA5 ATOM 1074 C21 POPE 1 -6.903 -9.907 12.667 1.00 0.00 LA5 ATOM 1075 O22 POPE 1 -7.161 -11.090 12.731 1.00 0.00 LA5 ATOM 1076 C22 POPE 1 -6.887 -9.080 11.376 1.00 0.00 LA5 ATOM 1077 H2R POPE 1 -7.839 -8.552 11.304 1.00 0.00 LA5 ATOM 1078 H2S POPE 1 -6.239 -8.280 11.430 1.00 0.00 LA5 ATOM 1079 C3 POPE 1 -8.051 -9.872 15.583 1.00 0.00 LA5 ATOM 1080 HX POPE 1 -8.500 -10.417 14.768 1.00 0.00 LA5 ATOM 1081 HY POPE 1 -8.214 -10.487 16.520 1.00 0.00 LA5 ATOM 1082 O31 POPE 1 -8.693 -8.590 15.620 1.00 0.00 LA5 ATOM 1083 C31 POPE 1 -9.870 -8.588 16.041 1.00 0.00 LA5 ATOM 1084 O32 POPE 1 -10.456 -9.503 16.563 1.00 0.00 LA5 ATOM 1085 C32 POPE 1 -10.472 -7.218 15.877 1.00 0.00 LA5 ATOM 1086 H2X POPE 1 -10.423 -6.691 16.877 1.00 0.00 LA5 ATOM 1087 H2Y POPE 1 -9.976 -6.651 15.080 1.00 0.00 LA5 ATOM 1088 C23 POPE 1 -6.531 -10.018 10.211 1.00 0.00 LA5 ATOM 1089 H3R POPE 1 -5.529 -10.425 10.375 1.00 0.00 LA5 ATOM 1090 H3S POPE 1 -7.305 -10.859 10.182 1.00 0.00 LA5 ATOM 1091 C24 POPE 1 -6.721 -9.375 8.873 1.00 0.00 LA5 ATOM 1092 H4R POPE 1 -7.714 -8.817 8.710 1.00 0.00 LA5 ATOM 1093 H4S POPE 1 -5.788 -8.681 8.658 1.00 0.00 LA5 ATOM 1094 C25 POPE 1 -6.695 -10.474 7.766 1.00 0.00 LA5 ATOM 1095 H5R POPE 1 -5.673 -10.876 7.792 1.00 0.00 LA5 ATOM 1096 H5S POPE 1 -7.524 -11.194 8.062 1.00 0.00 LA5 ATOM 1097 C26 POPE 1 -6.887 -9.925 6.332 1.00 0.00 LA5 ATOM 1098 H6R POPE 1 -7.962 -9.484 6.226 1.00 0.00 LA5 ATOM 1099 H6S POPE 1 -6.126 -9.080 6.148 1.00 0.00 LA5 ATOM 1100 C27 POPE 1 -6.640 -10.971 5.190 1.00 0.00 LA5 ATOM 1101 H7R POPE 1 -5.790 -11.661 5.524 1.00 0.00 LA5 ATOM 1102 H7S POPE 1 -7.547 -11.556 5.024 1.00 0.00 LA5 ATOM 1103 C28 POPE 1 -6.249 -10.297 3.927 1.00 0.00 LA5 ATOM 1104 H8R POPE 1 -7.192 -9.928 3.508 1.00 0.00 LA5 ATOM 1105 H8S POPE 1 -5.560 -9.489 4.168 1.00 0.00 LA5 ATOM 1106 C29 POPE 1 -5.576 -11.140 2.901 1.00 0.00 LA5 ATOM 1107 H91 POPE 1 -5.832 -12.246 2.871 1.00 0.00 LA5 ATOM 1108 C210 POPE 1 -4.764 -10.721 1.932 1.00 0.00 LA5 ATOM 1109 H101 POPE 1 -4.384 -11.462 1.208 1.00 0.00 LA5 ATOM 1110 C211 POPE 1 -4.485 -9.298 1.715 1.00 0.00 LA5 ATOM 1111 H11R POPE 1 -4.743 -8.609 2.506 1.00 0.00 LA5 ATOM 1112 H11S POPE 1 -3.397 -9.275 1.574 1.00 0.00 LA5 ATOM 1113 C212 POPE 1 -5.223 -8.849 0.459 1.00 0.00 LA5 ATOM 1114 H12R POPE 1 -6.328 -8.742 0.657 1.00 0.00 LA5 ATOM 1115 H12S POPE 1 -4.855 -7.822 0.233 1.00 0.00 LA5 ATOM 1116 C213 POPE 1 -5.050 -9.699 -0.828 1.00 0.00 LA5 ATOM 1117 H13R POPE 1 -4.020 -10.042 -0.873 1.00 0.00 LA5 ATOM 1118 H13S POPE 1 -5.680 -10.599 -0.712 1.00 0.00 LA5 ATOM 1119 C214 POPE 1 -5.517 -8.900 -2.087 1.00 0.00 LA5 ATOM 1120 H14R POPE 1 -6.554 -8.485 -1.903 1.00 0.00 LA5 ATOM 1121 H14S POPE 1 -4.795 -8.065 -2.188 1.00 0.00 LA5 ATOM 1122 C215 POPE 1 -5.442 -9.812 -3.294 1.00 0.00 LA5 ATOM 1123 H15R POPE 1 -4.348 -10.073 -3.333 1.00 0.00 LA5 ATOM 1124 H15S POPE 1 -6.116 -10.723 -3.207 1.00 0.00 LA5 ATOM 1125 C216 POPE 1 -5.828 -9.165 -4.681 1.00 0.00 LA5 ATOM 1126 H16R POPE 1 -6.826 -8.713 -4.536 1.00 0.00 LA5 ATOM 1127 H16S POPE 1 -5.151 -8.338 -5.099 1.00 0.00 LA5 ATOM 1128 C217 POPE 1 -5.924 -10.150 -5.846 1.00 0.00 LA5 ATOM 1129 H17R POPE 1 -4.855 -10.541 -5.797 1.00 0.00 LA5 ATOM 1130 H17S POPE 1 -6.710 -10.904 -5.672 1.00 0.00 LA5 ATOM 1131 C218 POPE 1 -6.139 -9.540 -7.210 1.00 0.00 LA5 ATOM 1132 H18R POPE 1 -6.379 -10.477 -7.794 1.00 0.00 LA5 ATOM 1133 H18S POPE 1 -7.012 -8.970 -7.176 1.00 0.00 LA5 ATOM 1134 H18T POPE 1 -5.268 -9.011 -7.696 1.00 0.00 LA5 ATOM 1135 C33 POPE 1 -12.053 -7.404 15.587 1.00 0.00 LA5 ATOM 1136 H3X POPE 1 -12.509 -7.811 16.457 1.00 0.00 LA5 ATOM 1137 H3Y POPE 1 -12.393 -6.305 15.402 1.00 0.00 LA5 ATOM 1138 C34 POPE 1 -12.491 -8.039 14.255 1.00 0.00 LA5 ATOM 1139 H4X POPE 1 -12.172 -9.101 14.337 1.00 0.00 LA5 ATOM 1140 H4Y POPE 1 -13.555 -8.008 13.991 1.00 0.00 LA5 ATOM 1141 C35 POPE 1 -11.743 -7.496 13.033 1.00 0.00 LA5 ATOM 1142 H5X POPE 1 -11.828 -6.374 12.960 1.00 0.00 LA5 ATOM 1143 H5Y POPE 1 -10.655 -7.633 13.112 1.00 0.00 LA5 ATOM 1144 C36 POPE 1 -12.087 -8.174 11.644 1.00 0.00 LA5 ATOM 1145 H6X POPE 1 -11.434 -9.071 11.455 1.00 0.00 LA5 ATOM 1146 H6Y POPE 1 -13.198 -8.406 11.659 1.00 0.00 LA5 ATOM 1147 C37 POPE 1 -11.849 -7.105 10.578 1.00 0.00 LA5 ATOM 1148 H7X POPE 1 -12.464 -6.250 10.820 1.00 0.00 LA5 ATOM 1149 H7Y POPE 1 -10.807 -6.745 10.698 1.00 0.00 LA5 ATOM 1150 C38 POPE 1 -12.067 -7.602 9.143 1.00 0.00 LA5 ATOM 1151 H8X POPE 1 -11.469 -8.479 9.129 1.00 0.00 LA5 ATOM 1152 H8Y POPE 1 -13.161 -7.813 8.985 1.00 0.00 LA5 ATOM 1153 C39 POPE 1 -11.592 -6.591 8.045 1.00 0.00 LA5 ATOM 1154 H9X POPE 1 -12.213 -5.713 8.120 1.00 0.00 LA5 ATOM 1155 H9Y POPE 1 -10.607 -6.367 8.399 1.00 0.00 LA5 ATOM 1156 C310 POPE 1 -11.603 -7.125 6.645 1.00 0.00 LA5 ATOM 1157 H10X POPE 1 -11.103 -8.060 6.540 1.00 0.00 LA5 ATOM 1158 H10Y POPE 1 -12.678 -7.358 6.474 1.00 0.00 LA5 ATOM 1159 C311 POPE 1 -11.030 -6.065 5.611 1.00 0.00 LA5 ATOM 1160 H11X POPE 1 -11.443 -5.158 5.929 1.00 0.00 LA5 ATOM 1161 H11Y POPE 1 -9.953 -6.068 5.698 1.00 0.00 LA5 ATOM 1162 C312 POPE 1 -11.390 -6.623 4.228 1.00 0.00 LA5 ATOM 1163 H12X POPE 1 -10.657 -7.407 3.964 1.00 0.00 LA5 ATOM 1164 H12Y POPE 1 -12.421 -7.006 4.313 1.00 0.00 LA5 ATOM 1165 C313 POPE 1 -11.359 -5.521 3.187 1.00 0.00 LA5 ATOM 1166 H13X POPE 1 -11.791 -4.601 3.685 1.00 0.00 LA5 ATOM 1167 H13Y POPE 1 -10.345 -5.226 2.773 1.00 0.00 LA5 ATOM 1168 C314 POPE 1 -12.342 -5.721 2.044 1.00 0.00 LA5 ATOM 1169 H14X POPE 1 -12.050 -6.630 1.535 1.00 0.00 LA5 ATOM 1170 H14Y POPE 1 -13.287 -5.916 2.425 1.00 0.00 LA5 ATOM 1171 C315 POPE 1 -12.335 -4.447 1.083 1.00 0.00 LA5 ATOM 1172 H15X POPE 1 -12.942 -3.697 1.610 1.00 0.00 LA5 ATOM 1173 H15Y POPE 1 -11.348 -4.178 0.979 1.00 0.00 LA5 ATOM 1174 C316 POPE 1 -12.768 -4.687 -0.366 1.00 0.00 LA5 ATOM 1175 H16X POPE 1 -12.883 -3.787 -0.961 1.00 0.00 LA5 ATOM 1176 H16Y POPE 1 -13.868 -5.118 -0.291 1.00 0.00 LA5 ATOM 1177 H16Z POPE 1 -12.113 -5.482 -0.730 1.00 0.00 LA5 ATOM 1178 N POPE 1 -2.090 -10.184 19.143 1.00 0.00 LA6 ATOM 1179 HN1 POPE 1 -3.036 -9.782 19.247 1.00 0.00 LA6 ATOM 1180 HN2 POPE 1 -1.912 -10.862 19.931 1.00 0.00 LA6 ATOM 1181 HN3 POPE 1 -1.405 -9.426 19.262 1.00 0.00 LA6 ATOM 1182 C12 POPE 1 -1.744 -10.705 17.781 1.00 0.00 LA6 ATOM 1183 H12A POPE 1 -2.282 -10.203 17.010 1.00 0.00 LA6 ATOM 1184 H12B POPE 1 -2.188 -11.717 17.866 1.00 0.00 LA6 ATOM 1185 C11 POPE 1 -0.239 -10.874 17.491 1.00 0.00 LA6 ATOM 1186 H11A POPE 1 0.146 -11.771 17.992 1.00 0.00 LA6 ATOM 1187 H11B POPE 1 -0.162 -11.141 16.391 1.00 0.00 LA6 ATOM 1188 P POPE 1 2.048 -9.544 17.297 1.00 0.00 LA6 ATOM 1189 O13 POPE 1 2.360 -8.167 16.947 1.00 0.00 LA6 ATOM 1190 O14 POPE 1 2.818 -10.092 18.424 1.00 0.00 LA6 ATOM 1191 O11 POPE 1 2.156 -10.498 16.047 1.00 0.00 LA6 ATOM 1192 O12 POPE 1 0.554 -9.651 17.693 1.00 0.00 LA6 ATOM 1193 C1 POPE 1 1.814 -10.102 14.724 1.00 0.00 LA6 ATOM 1194 HA POPE 1 1.047 -9.275 14.709 1.00 0.00 LA6 ATOM 1195 HB POPE 1 2.704 -9.509 14.265 1.00 0.00 LA6 ATOM 1196 C2 POPE 1 1.706 -11.327 13.833 1.00 0.00 LA6 ATOM 1197 HS POPE 1 2.674 -11.768 13.802 1.00 0.00 LA6 ATOM 1198 O21 POPE 1 1.392 -10.816 12.538 1.00 0.00 LA6 ATOM 1199 C21 POPE 1 1.937 -11.428 11.441 1.00 0.00 LA6 ATOM 1200 O22 POPE 1 2.799 -12.308 11.519 1.00 0.00 LA6 ATOM 1201 C22 POPE 1 1.390 -10.814 10.119 1.00 0.00 LA6 ATOM 1202 H2R POPE 1 0.344 -11.075 10.119 1.00 0.00 LA6 ATOM 1203 H2S POPE 1 1.475 -9.716 10.117 1.00 0.00 LA6 ATOM 1204 C3 POPE 1 0.628 -12.417 14.213 1.00 0.00 LA6 ATOM 1205 HX POPE 1 0.818 -13.271 13.522 1.00 0.00 LA6 ATOM 1206 HY POPE 1 0.875 -12.688 15.236 1.00 0.00 LA6 ATOM 1207 O31 POPE 1 -0.664 -11.862 14.066 1.00 0.00 LA6 ATOM 1208 C31 POPE 1 -1.640 -12.673 14.396 1.00 0.00 LA6 ATOM 1209 O32 POPE 1 -1.486 -13.785 14.912 1.00 0.00 LA6 ATOM 1210 C32 POPE 1 -2.982 -11.880 14.210 1.00 0.00 LA6 ATOM 1211 H2X POPE 1 -3.242 -11.478 15.259 1.00 0.00 LA6 ATOM 1212 H2Y POPE 1 -2.937 -11.075 13.510 1.00 0.00 LA6 ATOM 1213 C23 POPE 1 2.187 -11.518 8.951 1.00 0.00 LA6 ATOM 1214 H3R POPE 1 3.179 -11.171 8.923 1.00 0.00 LA6 ATOM 1215 H3S POPE 1 2.262 -12.598 9.126 1.00 0.00 LA6 ATOM 1216 C24 POPE 1 1.626 -11.218 7.587 1.00 0.00 LA6 ATOM 1217 H4R POPE 1 0.553 -11.577 7.450 1.00 0.00 LA6 ATOM 1218 H4S POPE 1 1.588 -10.127 7.374 1.00 0.00 LA6 ATOM 1219 C25 POPE 1 2.454 -11.947 6.489 1.00 0.00 LA6 ATOM 1220 H5R POPE 1 3.486 -11.616 6.716 1.00 0.00 LA6 ATOM 1221 H5S POPE 1 2.438 -12.994 6.668 1.00 0.00 LA6 ATOM 1222 C26 POPE 1 1.983 -11.673 5.006 1.00 0.00 LA6 ATOM 1223 H6R POPE 1 0.923 -12.017 4.999 1.00 0.00 LA6 ATOM 1224 H6S POPE 1 2.065 -10.601 4.782 1.00 0.00 LA6 ATOM 1225 C27 POPE 1 2.813 -12.570 4.009 1.00 0.00 LA6 ATOM 1226 H7R POPE 1 3.819 -12.214 3.982 1.00 0.00 LA6 ATOM 1227 H7S POPE 1 2.902 -13.599 4.429 1.00 0.00 LA6 ATOM 1228 C28 POPE 1 2.105 -12.569 2.687 1.00 0.00 LA6 ATOM 1229 H8R POPE 1 1.032 -12.962 2.884 1.00 0.00 LA6 ATOM 1230 H8S POPE 1 2.039 -11.457 2.354 1.00 0.00 LA6 ATOM 1231 C29 POPE 1 2.885 -13.387 1.688 1.00 0.00 LA6 ATOM 1232 H91 POPE 1 3.038 -14.380 1.958 1.00 0.00 LA6 ATOM 1233 C210 POPE 1 3.270 -12.954 0.495 1.00 0.00 LA6 ATOM 1234 H101 POPE 1 3.814 -13.744 -0.037 1.00 0.00 LA6 ATOM 1235 C211 POPE 1 3.129 -11.674 -0.259 1.00 0.00 LA6 ATOM 1236 H11R POPE 1 2.694 -10.961 0.475 1.00 0.00 LA6 ATOM 1237 H11S POPE 1 4.158 -11.311 -0.504 1.00 0.00 LA6 ATOM 1238 C212 POPE 1 2.304 -11.870 -1.547 1.00 0.00 LA6 ATOM 1239 H12R POPE 1 1.362 -12.450 -1.269 1.00 0.00 LA6 ATOM 1240 H12S POPE 1 1.964 -10.887 -1.895 1.00 0.00 LA6 ATOM 1241 C213 POPE 1 3.072 -12.497 -2.739 1.00 0.00 LA6 ATOM 1242 H13R POPE 1 3.952 -11.909 -2.981 1.00 0.00 LA6 ATOM 1243 H13S POPE 1 3.472 -13.532 -2.431 1.00 0.00 LA6 ATOM 1244 C214 POPE 1 2.186 -12.637 -4.056 1.00 0.00 LA6 ATOM 1245 H14R POPE 1 1.748 -13.733 -4.169 1.00 0.00 LA6 ATOM 1246 H14S POPE 1 1.319 -11.917 -4.051 1.00 0.00 LA6 ATOM 1247 C215 POPE 1 3.184 -12.370 -5.199 1.00 0.00 LA6 ATOM 1248 H15R POPE 1 3.622 -11.293 -5.074 1.00 0.00 LA6 ATOM 1249 H15S POPE 1 3.959 -13.172 -5.283 1.00 0.00 LA6 ATOM 1250 C216 POPE 1 2.576 -12.381 -6.614 1.00 0.00 LA6 ATOM 1251 H16R POPE 1 2.039 -11.409 -6.711 1.00 0.00 LA6 ATOM 1252 H16S POPE 1 3.362 -12.334 -7.367 1.00 0.00 LA6 ATOM 1253 C217 POPE 1 1.811 -13.523 -6.992 1.00 0.00 LA6 ATOM 1254 H17R POPE 1 2.411 -14.458 -6.744 1.00 0.00 LA6 ATOM 1255 H17S POPE 1 0.849 -13.582 -6.464 1.00 0.00 LA6 ATOM 1256 C218 POPE 1 1.488 -13.565 -8.484 1.00 0.00 LA6 ATOM 1257 H18R POPE 1 1.100 -14.516 -8.876 1.00 0.00 LA6 ATOM 1258 H18S POPE 1 0.800 -12.770 -8.726 1.00 0.00 LA6 ATOM 1259 H18T POPE 1 2.443 -13.292 -9.042 1.00 0.00 LA6 ATOM 1260 C33 POPE 1 -4.088 -12.850 13.736 1.00 0.00 LA6 ATOM 1261 H3X POPE 1 -4.147 -13.590 14.506 1.00 0.00 LA6 ATOM 1262 H3Y POPE 1 -5.091 -12.352 13.763 1.00 0.00 LA6 ATOM 1263 C34 POPE 1 -3.660 -13.389 12.356 1.00 0.00 LA6 ATOM 1264 H4X POPE 1 -3.381 -12.569 11.595 1.00 0.00 LA6 ATOM 1265 H4Y POPE 1 -2.746 -13.942 12.572 1.00 0.00 LA6 ATOM 1266 C35 POPE 1 -4.723 -14.288 11.634 1.00 0.00 LA6 ATOM 1267 H5X POPE 1 -5.133 -15.123 12.259 1.00 0.00 LA6 ATOM 1268 H5Y POPE 1 -5.519 -13.594 11.348 1.00 0.00 LA6 ATOM 1269 C36 POPE 1 -4.024 -14.884 10.367 1.00 0.00 LA6 ATOM 1270 H6X POPE 1 -3.542 -13.957 9.858 1.00 0.00 LA6 ATOM 1271 H6Y POPE 1 -3.119 -15.561 10.521 1.00 0.00 LA6 ATOM 1272 C37 POPE 1 -4.972 -15.695 9.615 1.00 0.00 LA6 ATOM 1273 H7X POPE 1 -5.398 -16.452 10.242 1.00 0.00 LA6 ATOM 1274 H7Y POPE 1 -5.760 -15.051 9.161 1.00 0.00 LA6 ATOM 1275 C38 POPE 1 -4.303 -16.189 8.308 1.00 0.00 LA6 ATOM 1276 H8X POPE 1 -3.426 -16.869 8.509 1.00 0.00 LA6 ATOM 1277 H8Y POPE 1 -4.926 -16.857 7.711 1.00 0.00 LA6 ATOM 1278 C39 POPE 1 -3.856 -15.002 7.434 1.00 0.00 LA6 ATOM 1279 H9X POPE 1 -4.541 -14.188 7.382 1.00 0.00 LA6 ATOM 1280 H9Y POPE 1 -2.942 -14.597 7.890 1.00 0.00 LA6 ATOM 1281 C310 POPE 1 -3.402 -15.418 6.002 1.00 0.00 LA6 ATOM 1282 H10X POPE 1 -2.747 -16.298 6.162 1.00 0.00 LA6 ATOM 1283 H10Y POPE 1 -4.281 -15.666 5.333 1.00 0.00 LA6 ATOM 1284 C311 POPE 1 -2.677 -14.358 5.207 1.00 0.00 LA6 ATOM 1285 H11X POPE 1 -3.351 -13.431 4.998 1.00 0.00 LA6 ATOM 1286 H11Y POPE 1 -1.739 -14.050 5.828 1.00 0.00 LA6 ATOM 1287 C312 POPE 1 -2.347 -14.981 3.777 1.00 0.00 LA6 ATOM 1288 H12X POPE 1 -1.867 -15.993 3.800 1.00 0.00 LA6 ATOM 1289 H12Y POPE 1 -3.399 -15.214 3.359 1.00 0.00 LA6 ATOM 1290 C313 POPE 1 -1.422 -14.109 3.003 1.00 0.00 LA6 ATOM 1291 H13X POPE 1 -1.442 -13.051 3.436 1.00 0.00 LA6 ATOM 1292 H13Y POPE 1 -0.424 -14.547 3.295 1.00 0.00 LA6 ATOM 1293 C314 POPE 1 -1.740 -14.172 1.548 1.00 0.00 LA6 ATOM 1294 H14X POPE 1 -1.781 -15.250 1.222 1.00 0.00 LA6 ATOM 1295 H14Y POPE 1 -2.731 -13.704 1.557 1.00 0.00 LA6 ATOM 1296 C315 POPE 1 -0.929 -13.354 0.491 1.00 0.00 LA6 ATOM 1297 H15X POPE 1 -1.049 -12.343 0.675 1.00 0.00 LA6 ATOM 1298 H15Y POPE 1 0.067 -13.619 0.586 1.00 0.00 LA6 ATOM 1299 C316 POPE 1 -1.449 -13.665 -0.851 1.00 0.00 LA6 ATOM 1300 H16X POPE 1 -1.445 -14.736 -1.032 1.00 0.00 LA6 ATOM 1301 H16Y POPE 1 -0.800 -13.200 -1.664 1.00 0.00 LA6 ATOM 1302 H16Z POPE 1 -2.477 -13.244 -0.935 1.00 0.00 LA6 ATOM 1303 N POPE 1 6.488 -7.939 20.269 1.00 0.00 LA7 ATOM 1304 HN1 POPE 1 5.927 -7.706 21.135 1.00 0.00 LA7 ATOM 1305 HN2 POPE 1 7.036 -8.800 20.593 1.00 0.00 LA7 ATOM 1306 HN3 POPE 1 7.054 -7.138 20.004 1.00 0.00 LA7 ATOM 1307 C12 POPE 1 5.554 -8.380 19.137 1.00 0.00 LA7 ATOM 1308 H12A POPE 1 4.680 -7.746 19.198 1.00 0.00 LA7 ATOM 1309 H12B POPE 1 5.268 -9.363 19.324 1.00 0.00 LA7 ATOM 1310 C11 POPE 1 6.196 -8.256 17.717 1.00 0.00 LA7 ATOM 1311 H11A POPE 1 7.240 -8.662 17.765 1.00 0.00 LA7 ATOM 1312 H11B POPE 1 5.551 -8.865 17.062 1.00 0.00 LA7 ATOM 1313 P POPE 1 7.194 -5.724 17.598 1.00 0.00 LA7 ATOM 1314 O13 POPE 1 6.945 -4.448 16.855 1.00 0.00 LA7 ATOM 1315 O14 POPE 1 7.136 -5.611 19.058 1.00 0.00 LA7 ATOM 1316 O11 POPE 1 8.566 -6.362 17.211 1.00 0.00 LA7 ATOM 1317 O12 POPE 1 6.082 -6.886 17.201 1.00 0.00 LA7 ATOM 1318 C1 POPE 1 9.012 -6.226 15.854 1.00 0.00 LA7 ATOM 1319 HA POPE 1 8.175 -6.349 15.080 1.00 0.00 LA7 ATOM 1320 HB POPE 1 9.316 -5.116 15.652 1.00 0.00 LA7 ATOM 1321 C2 POPE 1 10.064 -7.171 15.360 1.00 0.00 LA7 ATOM 1322 HS POPE 1 10.972 -7.045 16.034 1.00 0.00 LA7 ATOM 1323 O21 POPE 1 10.345 -6.788 13.995 1.00 0.00 LA7 ATOM 1324 C21 POPE 1 11.571 -7.043 13.496 1.00 0.00 LA7 ATOM 1325 O22 POPE 1 12.473 -7.610 14.141 1.00 0.00 LA7 ATOM 1326 C22 POPE 1 11.693 -6.727 12.061 1.00 0.00 LA7 ATOM 1327 H2R POPE 1 11.789 -5.582 11.825 1.00 0.00 LA7 ATOM 1328 H2S POPE 1 12.591 -7.213 11.764 1.00 0.00 LA7 ATOM 1329 C3 POPE 1 9.684 -8.674 15.416 1.00 0.00 LA7 ATOM 1330 HX POPE 1 10.544 -9.233 15.020 1.00 0.00 LA7 ATOM 1331 HY POPE 1 9.590 -8.973 16.542 1.00 0.00 LA7 ATOM 1332 O31 POPE 1 8.482 -8.948 14.668 1.00 0.00 LA7 ATOM 1333 C31 POPE 1 7.918 -10.129 14.984 1.00 0.00 LA7 ATOM 1334 O32 POPE 1 8.423 -10.992 15.683 1.00 0.00 LA7 ATOM 1335 C32 POPE 1 6.448 -10.148 14.543 1.00 0.00 LA7 ATOM 1336 H2X POPE 1 5.762 -10.399 15.381 1.00 0.00 LA7 ATOM 1337 H2Y POPE 1 6.068 -9.119 14.215 1.00 0.00 LA7 ATOM 1338 C23 POPE 1 10.501 -7.221 11.103 1.00 0.00 LA7 ATOM 1339 H3R POPE 1 10.427 -8.278 11.220 1.00 0.00 LA7 ATOM 1340 H3S POPE 1 9.563 -6.822 11.504 1.00 0.00 LA7 ATOM 1341 C24 POPE 1 10.773 -6.906 9.623 1.00 0.00 LA7 ATOM 1342 H4R POPE 1 10.806 -5.867 9.333 1.00 0.00 LA7 ATOM 1343 H4S POPE 1 11.676 -7.415 9.206 1.00 0.00 LA7 ATOM 1344 C25 POPE 1 9.649 -7.439 8.735 1.00 0.00 LA7 ATOM 1345 H5R POPE 1 9.415 -8.537 8.931 1.00 0.00 LA7 ATOM 1346 H5S POPE 1 8.771 -6.824 9.104 1.00 0.00 LA7 ATOM 1347 C26 POPE 1 10.047 -7.240 7.272 1.00 0.00 LA7 ATOM 1348 H6R POPE 1 10.411 -6.165 7.053 1.00 0.00 LA7 ATOM 1349 H6S POPE 1 10.956 -7.860 7.144 1.00 0.00 LA7 ATOM 1350 C27 POPE 1 8.954 -7.636 6.247 1.00 0.00 LA7 ATOM 1351 H7R POPE 1 8.876 -8.773 6.228 1.00 0.00 LA7 ATOM 1352 H7S POPE 1 8.043 -7.162 6.539 1.00 0.00 LA7 ATOM 1353 C28 POPE 1 9.304 -7.102 4.846 1.00 0.00 LA7 ATOM 1354 H8R POPE 1 9.381 -6.011 4.828 1.00 0.00 LA7 ATOM 1355 H8S POPE 1 10.298 -7.611 4.699 1.00 0.00 LA7 ATOM 1356 C29 POPE 1 8.347 -7.618 3.809 1.00 0.00 LA7 ATOM 1357 H91 POPE 1 7.316 -7.748 4.245 1.00 0.00 LA7 ATOM 1358 C210 POPE 1 8.692 -7.721 2.520 1.00 0.00 LA7 ATOM 1359 H101 POPE 1 7.876 -8.109 1.896 1.00 0.00 LA7 ATOM 1360 C211 POPE 1 10.063 -7.412 1.974 1.00 0.00 LA7 ATOM 1361 H11R POPE 1 10.551 -6.613 2.596 1.00 0.00 LA7 ATOM 1362 H11S POPE 1 10.567 -8.383 1.990 1.00 0.00 LA7 ATOM 1363 C212 POPE 1 10.075 -6.837 0.560 1.00 0.00 LA7 ATOM 1364 H12R POPE 1 9.363 -5.990 0.300 1.00 0.00 LA7 ATOM 1365 H12S POPE 1 11.122 -6.594 0.321 1.00 0.00 LA7 ATOM 1366 C213 POPE 1 9.840 -7.932 -0.513 1.00 0.00 LA7 ATOM 1367 H13R POPE 1 10.700 -8.665 -0.324 1.00 0.00 LA7 ATOM 1368 H13S POPE 1 8.824 -8.469 -0.261 1.00 0.00 LA7 ATOM 1369 C214 POPE 1 9.816 -7.331 -1.892 1.00 0.00 LA7 ATOM 1370 H14R POPE 1 8.871 -6.852 -2.108 1.00 0.00 LA7 ATOM 1371 H14S POPE 1 10.560 -6.482 -1.838 1.00 0.00 LA7 ATOM 1372 C215 POPE 1 10.216 -8.356 -2.981 1.00 0.00 LA7 ATOM 1373 H15R POPE 1 11.238 -8.786 -2.810 1.00 0.00 LA7 ATOM 1374 H15S POPE 1 9.575 -9.274 -2.798 1.00 0.00 LA7 ATOM 1375 C216 POPE 1 9.976 -7.873 -4.442 1.00 0.00 LA7 ATOM 1376 H16R POPE 1 8.962 -7.377 -4.553 1.00 0.00 LA7 ATOM 1377 H16S POPE 1 10.812 -7.142 -4.735 1.00 0.00 LA7 ATOM 1378 C217 POPE 1 10.243 -9.040 -5.430 1.00 0.00 LA7 ATOM 1379 H17R POPE 1 11.310 -9.299 -5.151 1.00 0.00 LA7 ATOM 1380 H17S POPE 1 9.628 -9.923 -5.313 1.00 0.00 LA7 ATOM 1381 C218 POPE 1 10.304 -8.635 -6.928 1.00 0.00 LA7 ATOM 1382 H18R POPE 1 10.194 -9.627 -7.485 1.00 0.00 LA7 ATOM 1383 H18S POPE 1 9.524 -7.993 -7.344 1.00 0.00 LA7 ATOM 1384 H18T POPE 1 11.339 -8.198 -7.128 1.00 0.00 LA7 ATOM 1385 C33 POPE 1 6.192 -11.170 13.414 1.00 0.00 LA7 ATOM 1386 H3X POPE 1 6.880 -11.988 13.593 1.00 0.00 LA7 ATOM 1387 H3Y POPE 1 5.134 -11.624 13.498 1.00 0.00 LA7 ATOM 1388 C34 POPE 1 6.487 -10.654 12.030 1.00 0.00 LA7 ATOM 1389 H4X POPE 1 5.851 -9.823 11.745 1.00 0.00 LA7 ATOM 1390 H4Y POPE 1 7.398 -10.065 12.108 1.00 0.00 LA7 ATOM 1391 C35 POPE 1 6.600 -11.729 10.902 1.00 0.00 LA7 ATOM 1392 H5X POPE 1 7.471 -12.393 10.973 1.00 0.00 LA7 ATOM 1393 H5Y POPE 1 5.670 -12.265 10.878 1.00 0.00 LA7 ATOM 1394 C36 POPE 1 6.784 -11.014 9.539 1.00 0.00 LA7 ATOM 1395 H6X POPE 1 6.218 -10.115 9.361 1.00 0.00 LA7 ATOM 1396 H6Y POPE 1 7.849 -10.643 9.434 1.00 0.00 LA7 ATOM 1397 C37 POPE 1 6.541 -12.020 8.334 1.00 0.00 LA7 ATOM 1398 H7X POPE 1 7.304 -12.815 8.342 1.00 0.00 LA7 ATOM 1399 H7Y POPE 1 5.564 -12.584 8.512 1.00 0.00 LA7 ATOM 1400 C38 POPE 1 6.675 -11.241 7.075 1.00 0.00 LA7 ATOM 1401 H8X POPE 1 5.893 -10.444 6.950 1.00 0.00 LA7 ATOM 1402 H8Y POPE 1 7.700 -10.758 7.219 1.00 0.00 LA7 ATOM 1403 C39 POPE 1 6.670 -12.146 5.892 1.00 0.00 LA7 ATOM 1404 H9X POPE 1 7.561 -12.882 5.898 1.00 0.00 LA7 ATOM 1405 H9Y POPE 1 5.870 -12.929 6.011 1.00 0.00 LA7 ATOM 1406 C310 POPE 1 6.739 -11.512 4.500 1.00 0.00 LA7 ATOM 1407 H10X POPE 1 5.734 -10.979 4.373 1.00 0.00 LA7 ATOM 1408 H10Y POPE 1 7.535 -10.754 4.516 1.00 0.00 LA7 ATOM 1409 C311 POPE 1 7.086 -12.392 3.275 1.00 0.00 LA7 ATOM 1410 H11X POPE 1 7.986 -12.991 3.394 1.00 0.00 LA7 ATOM 1411 H11Y POPE 1 6.237 -13.014 3.116 1.00 0.00 LA7 ATOM 1412 C312 POPE 1 7.187 -11.509 2.055 1.00 0.00 LA7 ATOM 1413 H12X POPE 1 6.215 -10.901 1.983 1.00 0.00 LA7 ATOM 1414 H12Y POPE 1 8.055 -10.838 2.204 1.00 0.00 LA7 ATOM 1415 C313 POPE 1 7.281 -12.314 0.781 1.00 0.00 LA7 ATOM 1416 H13X POPE 1 8.084 -13.065 0.839 1.00 0.00 LA7 ATOM 1417 H13Y POPE 1 6.370 -12.948 0.662 1.00 0.00 LA7 ATOM 1418 C314 POPE 1 7.422 -11.345 -0.364 1.00 0.00 LA7 ATOM 1419 H14X POPE 1 6.616 -10.652 -0.410 1.00 0.00 LA7 ATOM 1420 H14Y POPE 1 8.396 -10.915 -0.393 1.00 0.00 LA7 ATOM 1421 C315 POPE 1 7.194 -12.184 -1.703 1.00 0.00 LA7 ATOM 1422 H15X POPE 1 7.818 -13.071 -1.756 1.00 0.00 LA7 ATOM 1423 H15Y POPE 1 6.164 -12.509 -1.815 1.00 0.00 LA7 ATOM 1424 C316 POPE 1 7.657 -11.438 -2.966 1.00 0.00 LA7 ATOM 1425 H16X POPE 1 7.530 -10.334 -2.958 1.00 0.00 LA7 ATOM 1426 H16Y POPE 1 7.187 -11.846 -3.861 1.00 0.00 LA7 ATOM 1427 H16Z POPE 1 8.769 -11.595 -3.027 1.00 0.00 LA7 ATOM 1428 N POPE 1 6.940 -1.745 17.066 1.00 0.00 LA8 ATOM 1429 HN1 POPE 1 6.787 -2.740 16.741 1.00 0.00 LA8 ATOM 1430 HN2 POPE 1 6.423 -1.760 17.988 1.00 0.00 LA8 ATOM 1431 HN3 POPE 1 6.559 -1.114 16.307 1.00 0.00 LA8 ATOM 1432 C12 POPE 1 8.366 -1.626 17.291 1.00 0.00 LA8 ATOM 1433 H12A POPE 1 8.885 -1.426 16.347 1.00 0.00 LA8 ATOM 1434 H12B POPE 1 8.668 -2.542 17.781 1.00 0.00 LA8 ATOM 1435 C11 POPE 1 8.637 -0.515 18.406 1.00 0.00 LA8 ATOM 1436 H11A POPE 1 8.487 -0.887 19.472 1.00 0.00 LA8 ATOM 1437 H11B POPE 1 9.722 -0.371 18.335 1.00 0.00 LA8 ATOM 1438 P POPE 1 8.588 2.110 18.732 1.00 0.00 LA8 ATOM 1439 O13 POPE 1 7.585 3.164 18.765 1.00 0.00 LA8 ATOM 1440 O14 POPE 1 9.149 1.739 20.079 1.00 0.00 LA8 ATOM 1441 O11 POPE 1 9.751 2.485 17.828 1.00 0.00 LA8 ATOM 1442 O12 POPE 1 8.038 0.763 18.136 1.00 0.00 LA8 ATOM 1443 C1 POPE 1 9.950 1.873 16.522 1.00 0.00 LA8 ATOM 1444 HA POPE 1 9.683 0.758 16.413 1.00 0.00 LA8 ATOM 1445 HB POPE 1 9.421 2.457 15.762 1.00 0.00 LA8 ATOM 1446 C2 POPE 1 11.414 1.745 16.167 1.00 0.00 LA8 ATOM 1447 HS POPE 1 11.831 2.718 16.153 1.00 0.00 LA8 ATOM 1448 O21 POPE 1 11.561 1.119 14.865 1.00 0.00 LA8 ATOM 1449 C21 POPE 1 11.603 1.945 13.840 1.00 0.00 LA8 ATOM 1450 O22 POPE 1 11.633 3.137 13.927 1.00 0.00 LA8 ATOM 1451 C22 POPE 1 11.439 1.195 12.574 1.00 0.00 LA8 ATOM 1452 H2R POPE 1 11.765 0.111 12.605 1.00 0.00 LA8 ATOM 1453 H2S POPE 1 10.380 1.226 12.338 1.00 0.00 LA8 ATOM 1454 C3 POPE 1 12.323 1.015 17.326 1.00 0.00 LA8 ATOM 1455 HX POPE 1 13.368 1.147 16.927 1.00 0.00 LA8 ATOM 1456 HY POPE 1 12.193 1.520 18.325 1.00 0.00 LA8 ATOM 1457 O31 POPE 1 12.071 -0.384 17.427 1.00 0.00 LA8 ATOM 1458 C31 POPE 1 12.813 -0.968 18.335 1.00 0.00 LA8 ATOM 1459 O32 POPE 1 13.804 -0.493 18.898 1.00 0.00 LA8 ATOM 1460 C32 POPE 1 12.220 -2.391 18.464 1.00 0.00 LA8 ATOM 1461 H2X POPE 1 12.607 -2.817 19.385 1.00 0.00 LA8 ATOM 1462 H2Y POPE 1 11.061 -2.390 18.456 1.00 0.00 LA8 ATOM 1463 C23 POPE 1 12.198 1.817 11.289 1.00 0.00 LA8 ATOM 1464 H3R POPE 1 11.939 2.841 11.051 1.00 0.00 LA8 ATOM 1465 H3S POPE 1 13.281 1.855 11.572 1.00 0.00 LA8 ATOM 1466 C24 POPE 1 11.960 0.898 10.102 1.00 0.00 LA8 ATOM 1467 H4R POPE 1 12.101 -0.078 10.412 1.00 0.00 LA8 ATOM 1468 H4S POPE 1 10.838 0.931 9.806 1.00 0.00 LA8 ATOM 1469 C25 POPE 1 12.780 1.320 8.844 1.00 0.00 LA8 ATOM 1470 H5R POPE 1 12.489 2.365 8.516 1.00 0.00 LA8 ATOM 1471 H5S POPE 1 13.917 1.344 8.957 1.00 0.00 LA8 ATOM 1472 C26 POPE 1 12.429 0.512 7.553 1.00 0.00 LA8 ATOM 1473 H6R POPE 1 12.635 -0.607 7.671 1.00 0.00 LA8 ATOM 1474 H6S POPE 1 11.272 0.599 7.476 1.00 0.00 LA8 ATOM 1475 C27 POPE 1 13.050 0.974 6.212 1.00 0.00 LA8 ATOM 1476 H7R POPE 1 12.939 2.081 6.066 1.00 0.00 LA8 ATOM 1477 H7S POPE 1 14.126 0.909 6.187 1.00 0.00 LA8 ATOM 1478 C28 POPE 1 12.345 0.297 5.011 1.00 0.00 LA8 ATOM 1479 H8R POPE 1 12.267 -0.754 5.374 1.00 0.00 LA8 ATOM 1480 H8S POPE 1 11.258 0.692 4.884 1.00 0.00 LA8 ATOM 1481 C29 POPE 1 13.184 0.222 3.725 1.00 0.00 LA8 ATOM 1482 H91 POPE 1 14.144 -0.286 3.881 1.00 0.00 LA8 ATOM 1483 C210 POPE 1 12.889 0.608 2.507 1.00 0.00 LA8 ATOM 1484 H101 POPE 1 13.589 0.452 1.689 1.00 0.00 LA8 ATOM 1485 C211 POPE 1 11.631 1.319 2.090 1.00 0.00 LA8 ATOM 1486 H11R POPE 1 10.955 1.267 2.966 1.00 0.00 LA8 ATOM 1487 H11S POPE 1 11.740 2.458 1.884 1.00 0.00 LA8 ATOM 1488 C212 POPE 1 10.921 0.502 1.039 1.00 0.00 LA8 ATOM 1489 H12R POPE 1 10.876 -0.571 1.359 1.00 0.00 LA8 ATOM 1490 H12S POPE 1 9.863 0.857 1.187 1.00 0.00 LA8 ATOM 1491 C213 POPE 1 11.426 0.575 -0.355 1.00 0.00 LA8 ATOM 1492 H13R POPE 1 11.465 1.634 -0.680 1.00 0.00 LA8 ATOM 1493 H13S POPE 1 12.524 0.232 -0.442 1.00 0.00 LA8 ATOM 1494 C214 POPE 1 10.587 -0.240 -1.389 1.00 0.00 LA8 ATOM 1495 H14R POPE 1 10.479 -1.267 -0.910 1.00 0.00 LA8 ATOM 1496 H14S POPE 1 9.700 0.343 -1.325 1.00 0.00 LA8 ATOM 1497 C215 POPE 1 11.064 -0.367 -2.873 1.00 0.00 LA8 ATOM 1498 H15R POPE 1 12.156 -0.564 -2.941 1.00 0.00 LA8 ATOM 1499 H15S POPE 1 10.640 -1.234 -3.375 1.00 0.00 LA8 ATOM 1500 C216 POPE 1 10.660 0.864 -3.586 1.00 0.00 LA8 ATOM 1501 H16R POPE 1 9.563 1.060 -3.717 1.00 0.00 LA8 ATOM 1502 H16S POPE 1 11.083 1.743 -3.071 1.00 0.00 LA8 ATOM 1503 C217 POPE 1 11.183 0.877 -5.100 1.00 0.00 LA8 ATOM 1504 H17R POPE 1 10.822 1.792 -5.655 1.00 0.00 LA8 ATOM 1505 H17S POPE 1 12.263 0.782 -5.231 1.00 0.00 LA8 ATOM 1506 C218 POPE 1 10.587 -0.308 -5.857 1.00 0.00 LA8 ATOM 1507 H18R POPE 1 11.009 -0.241 -6.878 1.00 0.00 LA8 ATOM 1508 H18S POPE 1 10.917 -1.281 -5.435 1.00 0.00 LA8 ATOM 1509 H18T POPE 1 9.520 -0.234 -5.925 1.00 0.00 LA8 ATOM 1510 C33 POPE 1 12.567 -3.315 17.287 1.00 0.00 LA8 ATOM 1511 H3X POPE 1 12.111 -4.330 17.332 1.00 0.00 LA8 ATOM 1512 H3Y POPE 1 11.994 -2.771 16.473 1.00 0.00 LA8 ATOM 1513 C34 POPE 1 14.080 -3.442 16.930 1.00 0.00 LA8 ATOM 1514 H4X POPE 1 14.562 -2.433 16.907 1.00 0.00 LA8 ATOM 1515 H4Y POPE 1 14.517 -3.864 17.803 1.00 0.00 LA8 ATOM 1516 C35 POPE 1 14.452 -4.333 15.731 1.00 0.00 LA8 ATOM 1517 H5X POPE 1 15.561 -4.630 15.875 1.00 0.00 LA8 ATOM 1518 H5Y POPE 1 13.937 -5.311 15.833 1.00 0.00 LA8 ATOM 1519 C36 POPE 1 14.158 -3.573 14.431 1.00 0.00 LA8 ATOM 1520 H6X POPE 1 13.103 -3.403 14.326 1.00 0.00 LA8 ATOM 1521 H6Y POPE 1 14.750 -2.607 14.523 1.00 0.00 LA8 ATOM 1522 C37 POPE 1 14.666 -4.297 13.188 1.00 0.00 LA8 ATOM 1523 H7X POPE 1 15.698 -4.668 13.494 1.00 0.00 LA8 ATOM 1524 H7Y POPE 1 14.035 -5.182 12.877 1.00 0.00 LA8 ATOM 1525 C38 POPE 1 14.860 -3.433 11.950 1.00 0.00 LA8 ATOM 1526 H8X POPE 1 13.976 -2.778 11.939 1.00 0.00 LA8 ATOM 1527 H8Y POPE 1 15.777 -2.822 11.946 1.00 0.00 LA8 ATOM 1528 C39 POPE 1 14.858 -4.331 10.678 1.00 0.00 LA8 ATOM 1529 H9X POPE 1 15.451 -5.255 10.813 1.00 0.00 LA8 ATOM 1530 H9Y POPE 1 13.940 -4.844 10.497 1.00 0.00 LA8 ATOM 1531 C310 POPE 1 15.186 -3.570 9.341 1.00 0.00 LA8 ATOM 1532 H10X POPE 1 14.867 -2.492 9.384 1.00 0.00 LA8 ATOM 1533 H10Y POPE 1 16.278 -3.395 9.290 1.00 0.00 LA8 ATOM 1534 C311 POPE 1 14.752 -4.258 8.094 1.00 0.00 LA8 ATOM 1535 H11X POPE 1 15.014 -5.310 7.975 1.00 0.00 LA8 ATOM 1536 H11Y POPE 1 13.627 -4.169 7.984 1.00 0.00 LA8 ATOM 1537 C312 POPE 1 15.378 -3.532 6.829 1.00 0.00 LA8 ATOM 1538 H12X POPE 1 15.089 -2.400 6.816 1.00 0.00 LA8 ATOM 1539 H12Y POPE 1 16.448 -3.690 6.995 1.00 0.00 LA8 ATOM 1540 C313 POPE 1 15.111 -4.136 5.483 1.00 0.00 LA8 ATOM 1541 H13X POPE 1 15.832 -3.797 4.771 1.00 0.00 LA8 ATOM 1542 H13Y POPE 1 15.216 -5.287 5.573 1.00 0.00 LA8 ATOM 1543 C314 POPE 1 13.707 -3.854 4.957 1.00 0.00 LA8 ATOM 1544 H14X POPE 1 13.039 -4.166 5.712 1.00 0.00 LA8 ATOM 1545 H14Y POPE 1 13.545 -2.805 4.721 1.00 0.00 LA8 ATOM 1546 C315 POPE 1 13.352 -4.487 3.572 1.00 0.00 LA8 ATOM 1547 H15X POPE 1 14.206 -4.343 2.889 1.00 0.00 LA8 ATOM 1548 H15Y POPE 1 13.368 -5.552 3.642 1.00 0.00 LA8 ATOM 1549 C316 POPE 1 12.220 -3.915 2.791 1.00 0.00 LA8 ATOM 1550 H16X POPE 1 11.198 -4.343 3.038 1.00 0.00 LA8 ATOM 1551 H16Y POPE 1 12.508 -4.034 1.753 1.00 0.00 LA8 ATOM 1552 H16Z POPE 1 12.092 -2.817 2.905 1.00 0.00 LA8 ATOM 1553 N POPE 1 7.592 7.005 -20.218 1.00 0.00 LB1 ATOM 1554 HN1 POPE 1 7.755 7.448 -21.190 1.00 0.00 LB1 ATOM 1555 HN2 POPE 1 8.311 7.303 -19.543 1.00 0.00 LB1 ATOM 1556 HN3 POPE 1 7.426 5.940 -20.252 1.00 0.00 LB1 ATOM 1557 C12 POPE 1 6.364 7.504 -19.485 1.00 0.00 LB1 ATOM 1558 H12A POPE 1 5.496 7.002 -20.056 1.00 0.00 LB1 ATOM 1559 H12B POPE 1 6.207 8.597 -19.649 1.00 0.00 LB1 ATOM 1560 C11 POPE 1 6.365 7.131 -18.032 1.00 0.00 LB1 ATOM 1561 H11A POPE 1 7.198 7.550 -17.454 1.00 0.00 LB1 ATOM 1562 H11B POPE 1 5.498 7.647 -17.511 1.00 0.00 LB1 ATOM 1563 P POPE 1 6.130 5.061 -16.647 1.00 0.00 LB1 ATOM 1564 O13 POPE 1 4.718 5.240 -16.325 1.00 0.00 LB1 ATOM 1565 O14 POPE 1 6.549 3.665 -16.722 1.00 0.00 LB1 ATOM 1566 O11 POPE 1 7.090 5.821 -15.761 1.00 0.00 LB1 ATOM 1567 O12 POPE 1 6.449 5.706 -17.952 1.00 0.00 LB1 ATOM 1568 C1 POPE 1 6.775 6.254 -14.425 1.00 0.00 LB1 ATOM 1569 HA POPE 1 5.771 6.719 -14.425 1.00 0.00 LB1 ATOM 1570 HB POPE 1 6.922 5.432 -13.692 1.00 0.00 LB1 ATOM 1571 C2 POPE 1 7.910 7.393 -14.029 1.00 0.00 LB1 ATOM 1572 HS POPE 1 8.926 7.153 -14.374 1.00 0.00 LB1 ATOM 1573 O21 POPE 1 7.872 7.577 -12.573 1.00 0.00 LB1 ATOM 1574 C21 POPE 1 8.924 8.100 -12.034 1.00 0.00 LB1 ATOM 1575 O22 POPE 1 9.915 8.421 -12.674 1.00 0.00 LB1 ATOM 1576 C22 POPE 1 8.791 8.079 -10.507 1.00 0.00 LB1 ATOM 1577 H2R POPE 1 8.100 8.887 -10.196 1.00 0.00 LB1 ATOM 1578 H2S POPE 1 8.236 7.145 -10.138 1.00 0.00 LB1 ATOM 1579 C3 POPE 1 7.687 8.790 -14.758 1.00 0.00 LB1 ATOM 1580 HX POPE 1 8.420 9.570 -14.294 1.00 0.00 LB1 ATOM 1581 HY POPE 1 7.815 8.525 -15.820 1.00 0.00 LB1 ATOM 1582 O31 POPE 1 6.350 9.373 -14.629 1.00 0.00 LB1 ATOM 1583 C31 POPE 1 6.115 10.285 -15.668 1.00 0.00 LB1 ATOM 1584 O32 POPE 1 6.884 10.656 -16.530 1.00 0.00 LB1 ATOM 1585 C32 POPE 1 4.600 10.716 -15.545 1.00 0.00 LB1 ATOM 1586 H2X POPE 1 4.308 11.262 -16.517 1.00 0.00 LB1 ATOM 1587 H2Y POPE 1 4.072 9.820 -15.399 1.00 0.00 LB1 ATOM 1588 C23 POPE 1 10.136 8.315 -9.809 1.00 0.00 LB1 ATOM 1589 H3R POPE 1 11.002 7.951 -10.442 1.00 0.00 LB1 ATOM 1590 H3S POPE 1 10.299 9.411 -9.763 1.00 0.00 LB1 ATOM 1591 C24 POPE 1 10.103 7.743 -8.360 1.00 0.00 LB1 ATOM 1592 H4R POPE 1 9.274 8.291 -7.807 1.00 0.00 LB1 ATOM 1593 H4S POPE 1 9.922 6.689 -8.337 1.00 0.00 LB1 ATOM 1594 C25 POPE 1 11.378 8.045 -7.599 1.00 0.00 LB1 ATOM 1595 H5R POPE 1 12.228 7.899 -8.231 1.00 0.00 LB1 ATOM 1596 H5S POPE 1 11.319 9.110 -7.188 1.00 0.00 LB1 ATOM 1597 C26 POPE 1 11.543 7.010 -6.436 1.00 0.00 LB1 ATOM 1598 H6R POPE 1 11.451 6.043 -6.926 1.00 0.00 LB1 ATOM 1599 H6S POPE 1 12.594 7.013 -6.017 1.00 0.00 LB1 ATOM 1600 C27 POPE 1 10.450 7.243 -5.340 1.00 0.00 LB1 ATOM 1601 H7R POPE 1 10.785 8.295 -4.947 1.00 0.00 LB1 ATOM 1602 H7S POPE 1 9.470 7.254 -5.723 1.00 0.00 LB1 ATOM 1603 C28 POPE 1 10.719 6.276 -4.193 1.00 0.00 LB1 ATOM 1604 H8R POPE 1 10.554 5.237 -4.501 1.00 0.00 LB1 ATOM 1605 H8S POPE 1 11.774 6.268 -3.900 1.00 0.00 LB1 ATOM 1606 C29 POPE 1 9.855 6.626 -3.000 1.00 0.00 LB1 ATOM 1607 H91 POPE 1 9.629 7.647 -2.812 1.00 0.00 LB1 ATOM 1608 C210 POPE 1 9.450 5.757 -2.025 1.00 0.00 LB1 ATOM 1609 H101 POPE 1 8.932 6.118 -1.081 1.00 0.00 LB1 ATOM 1610 C211 POPE 1 9.629 4.264 -2.094 1.00 0.00 LB1 ATOM 1611 H11R POPE 1 9.556 3.858 -3.130 1.00 0.00 LB1 ATOM 1612 H11S POPE 1 10.532 3.948 -1.665 1.00 0.00 LB1 ATOM 1613 C212 POPE 1 8.502 3.697 -1.185 1.00 0.00 LB1 ATOM 1614 H12R POPE 1 7.595 4.350 -1.232 1.00 0.00 LB1 ATOM 1615 H12S POPE 1 8.312 2.669 -1.352 1.00 0.00 LB1 ATOM 1616 C213 POPE 1 8.922 3.792 0.294 1.00 0.00 LB1 ATOM 1617 H13R POPE 1 9.792 3.111 0.450 1.00 0.00 LB1 ATOM 1618 H13S POPE 1 9.331 4.757 0.577 1.00 0.00 LB1 ATOM 1619 C214 POPE 1 7.714 3.709 1.253 1.00 0.00 LB1 ATOM 1620 H14R POPE 1 6.926 4.495 1.060 1.00 0.00 LB1 ATOM 1621 H14S POPE 1 7.262 2.694 1.201 1.00 0.00 LB1 ATOM 1622 C215 POPE 1 8.066 3.952 2.768 1.00 0.00 LB1 ATOM 1623 H15R POPE 1 8.889 3.178 3.084 1.00 0.00 LB1 ATOM 1624 H15S POPE 1 8.420 4.974 2.874 1.00 0.00 LB1 ATOM 1625 C216 POPE 1 6.875 3.688 3.668 1.00 0.00 LB1 ATOM 1626 H16R POPE 1 5.861 3.880 3.074 1.00 0.00 LB1 ATOM 1627 H16S POPE 1 6.873 2.741 4.166 1.00 0.00 LB1 ATOM 1628 C217 POPE 1 6.763 4.654 4.881 1.00 0.00 LB1 ATOM 1629 H17R POPE 1 7.763 5.119 5.075 1.00 0.00 LB1 ATOM 1630 H17S POPE 1 6.108 5.492 4.579 1.00 0.00 LB1 ATOM 1631 C218 POPE 1 6.312 3.980 6.135 1.00 0.00 LB1 ATOM 1632 H18R POPE 1 6.633 4.570 7.068 1.00 0.00 LB1 ATOM 1633 H18S POPE 1 5.278 3.800 6.287 1.00 0.00 LB1 ATOM 1634 H18T POPE 1 6.838 2.949 6.254 1.00 0.00 LB1 ATOM 1635 C33 POPE 1 4.321 11.765 -14.402 1.00 0.00 LB1 ATOM 1636 H3X POPE 1 4.966 12.672 -14.358 1.00 0.00 LB1 ATOM 1637 H3Y POPE 1 3.258 12.148 -14.465 1.00 0.00 LB1 ATOM 1638 C34 POPE 1 4.520 11.175 -13.009 1.00 0.00 LB1 ATOM 1639 H4X POPE 1 3.891 10.237 -12.898 1.00 0.00 LB1 ATOM 1640 H4Y POPE 1 5.563 10.885 -12.859 1.00 0.00 LB1 ATOM 1641 C35 POPE 1 4.113 12.219 -11.928 1.00 0.00 LB1 ATOM 1642 H5X POPE 1 4.746 13.115 -12.032 1.00 0.00 LB1 ATOM 1643 H5Y POPE 1 3.061 12.636 -11.931 1.00 0.00 LB1 ATOM 1644 C36 POPE 1 4.362 11.732 -10.545 1.00 0.00 LB1 ATOM 1645 H6X POPE 1 3.586 10.999 -10.221 1.00 0.00 LB1 ATOM 1646 H6Y POPE 1 5.327 11.200 -10.548 1.00 0.00 LB1 ATOM 1647 C37 POPE 1 4.378 12.874 -9.558 1.00 0.00 LB1 ATOM 1648 H7X POPE 1 5.346 13.494 -9.757 1.00 0.00 LB1 ATOM 1649 H7Y POPE 1 3.492 13.491 -9.733 1.00 0.00 LB1 ATOM 1650 C38 POPE 1 4.377 12.256 -8.115 1.00 0.00 LB1 ATOM 1651 H8X POPE 1 3.445 11.689 -7.833 1.00 0.00 LB1 ATOM 1652 H8Y POPE 1 5.178 11.479 -8.192 1.00 0.00 LB1 ATOM 1653 C39 POPE 1 4.707 13.281 -6.950 1.00 0.00 LB1 ATOM 1654 H9X POPE 1 5.668 13.604 -7.250 1.00 0.00 LB1 ATOM 1655 H9Y POPE 1 3.948 14.133 -7.016 1.00 0.00 LB1 ATOM 1656 C310 POPE 1 4.640 12.723 -5.491 1.00 0.00 LB1 ATOM 1657 H10X POPE 1 3.683 12.275 -5.220 1.00 0.00 LB1 ATOM 1658 H10Y POPE 1 5.383 11.927 -5.320 1.00 0.00 LB1 ATOM 1659 C311 POPE 1 5.027 13.793 -4.410 1.00 0.00 LB1 ATOM 1660 H11X POPE 1 6.101 13.982 -4.612 1.00 0.00 LB1 ATOM 1661 H11Y POPE 1 4.461 14.711 -4.589 1.00 0.00 LB1 ATOM 1662 C312 POPE 1 4.726 13.175 -3.021 1.00 0.00 LB1 ATOM 1663 H12X POPE 1 3.691 13.337 -2.669 1.00 0.00 LB1 ATOM 1664 H12Y POPE 1 4.813 12.046 -3.250 1.00 0.00 LB1 ATOM 1665 C313 POPE 1 5.723 13.606 -1.900 1.00 0.00 LB1 ATOM 1666 H13X POPE 1 6.773 13.656 -2.341 1.00 0.00 LB1 ATOM 1667 H13Y POPE 1 5.452 14.622 -1.646 1.00 0.00 LB1 ATOM 1668 C314 POPE 1 5.742 12.552 -0.822 1.00 0.00 LB1 ATOM 1669 H14X POPE 1 4.745 12.446 -0.502 1.00 0.00 LB1 ATOM 1670 H14Y POPE 1 6.162 11.657 -1.295 1.00 0.00 LB1 ATOM 1671 C315 POPE 1 6.634 13.025 0.309 1.00 0.00 LB1 ATOM 1672 H15X POPE 1 7.721 13.019 -0.026 1.00 0.00 LB1 ATOM 1673 H15Y POPE 1 6.361 14.068 0.507 1.00 0.00 LB1 ATOM 1674 C316 POPE 1 6.535 12.184 1.570 1.00 0.00 LB1 ATOM 1675 H16X POPE 1 6.956 11.126 1.357 1.00 0.00 LB1 ATOM 1676 H16Y POPE 1 5.481 11.919 1.939 1.00 0.00 LB1 ATOM 1677 H16Z POPE 1 7.095 12.632 2.423 1.00 0.00 LB1 ATOM 1678 N POPE 1 -2.047 7.333 -18.283 1.00 0.00 LB2 ATOM 1679 HN1 POPE 1 -2.745 7.271 -17.486 1.00 0.00 LB2 ATOM 1680 HN2 POPE 1 -2.548 6.796 -19.044 1.00 0.00 LB2 ATOM 1681 HN3 POPE 1 -1.125 6.912 -18.058 1.00 0.00 LB2 ATOM 1682 C12 POPE 1 -1.962 8.757 -18.713 1.00 0.00 LB2 ATOM 1683 H12A POPE 1 -2.039 9.299 -17.756 1.00 0.00 LB2 ATOM 1684 H12B POPE 1 -2.901 9.032 -19.209 1.00 0.00 LB2 ATOM 1685 C11 POPE 1 -0.656 9.150 -19.485 1.00 0.00 LB2 ATOM 1686 H11A POPE 1 -0.873 8.822 -20.529 1.00 0.00 LB2 ATOM 1687 H11B POPE 1 -0.501 10.300 -19.565 1.00 0.00 LB2 ATOM 1688 P POPE 1 1.786 9.059 -18.479 1.00 0.00 LB2 ATOM 1689 O13 POPE 1 2.422 7.956 -17.665 1.00 0.00 LB2 ATOM 1690 O14 POPE 1 2.485 9.623 -19.711 1.00 0.00 LB2 ATOM 1691 O11 POPE 1 1.420 10.213 -17.549 1.00 0.00 LB2 ATOM 1692 O12 POPE 1 0.455 8.426 -18.982 1.00 0.00 LB2 ATOM 1693 C1 POPE 1 0.782 9.914 -16.269 1.00 0.00 LB2 ATOM 1694 HA POPE 1 -0.101 9.301 -16.483 1.00 0.00 LB2 ATOM 1695 HB POPE 1 1.552 9.325 -15.700 1.00 0.00 LB2 ATOM 1696 C2 POPE 1 0.551 11.215 -15.354 1.00 0.00 LB2 ATOM 1697 HS POPE 1 1.529 11.741 -15.279 1.00 0.00 LB2 ATOM 1698 O21 POPE 1 -0.043 10.822 -14.067 1.00 0.00 LB2 ATOM 1699 C21 POPE 1 0.335 11.531 -13.026 1.00 0.00 LB2 ATOM 1700 O22 POPE 1 1.065 12.497 -13.031 1.00 0.00 LB2 ATOM 1701 C22 POPE 1 -0.194 10.874 -11.717 1.00 0.00 LB2 ATOM 1702 H2R POPE 1 -1.325 10.722 -11.922 1.00 0.00 LB2 ATOM 1703 H2S POPE 1 0.372 9.913 -11.671 1.00 0.00 LB2 ATOM 1704 C3 POPE 1 -0.400 12.240 -16.033 1.00 0.00 LB2 ATOM 1705 HX POPE 1 -0.443 13.201 -15.472 1.00 0.00 LB2 ATOM 1706 HY POPE 1 -0.007 12.459 -16.988 1.00 0.00 LB2 ATOM 1707 O31 POPE 1 -1.673 11.745 -16.342 1.00 0.00 LB2 ATOM 1708 C31 POPE 1 -2.441 12.660 -16.932 1.00 0.00 LB2 ATOM 1709 O32 POPE 1 -2.060 13.766 -17.299 1.00 0.00 LB2 ATOM 1710 C32 POPE 1 -3.873 12.091 -17.063 1.00 0.00 LB2 ATOM 1711 H2X POPE 1 -4.274 12.465 -18.046 1.00 0.00 LB2 ATOM 1712 H2Y POPE 1 -3.826 11.020 -17.078 1.00 0.00 LB2 ATOM 1713 C23 POPE 1 0.065 11.675 -10.434 1.00 0.00 LB2 ATOM 1714 H3R POPE 1 1.151 11.749 -10.255 1.00 0.00 LB2 ATOM 1715 H3S POPE 1 -0.415 12.647 -10.358 1.00 0.00 LB2 ATOM 1716 C24 POPE 1 -0.271 10.893 -9.125 1.00 0.00 LB2 ATOM 1717 H4R POPE 1 -1.232 10.374 -9.277 1.00 0.00 LB2 ATOM 1718 H4S POPE 1 0.330 9.997 -9.001 1.00 0.00 LB2 ATOM 1719 C25 POPE 1 -0.037 11.725 -7.875 1.00 0.00 LB2 ATOM 1720 H5R POPE 1 0.967 12.150 -7.959 1.00 0.00 LB2 ATOM 1721 H5S POPE 1 -0.653 12.591 -7.953 1.00 0.00 LB2 ATOM 1722 C26 POPE 1 -0.074 10.971 -6.577 1.00 0.00 LB2 ATOM 1723 H6R POPE 1 -1.113 10.973 -6.224 1.00 0.00 LB2 ATOM 1724 H6S POPE 1 0.263 9.917 -6.766 1.00 0.00 LB2 ATOM 1725 C27 POPE 1 0.901 11.468 -5.460 1.00 0.00 LB2 ATOM 1726 H7R POPE 1 1.888 11.272 -5.779 1.00 0.00 LB2 ATOM 1727 H7S POPE 1 0.701 12.544 -5.299 1.00 0.00 LB2 ATOM 1728 C28 POPE 1 0.605 10.816 -4.091 1.00 0.00 LB2 ATOM 1729 H8R POPE 1 -0.518 10.895 -3.956 1.00 0.00 LB2 ATOM 1730 H8S POPE 1 0.813 9.725 -4.155 1.00 0.00 LB2 ATOM 1731 C29 POPE 1 1.538 11.387 -3.010 1.00 0.00 LB2 ATOM 1732 H91 POPE 1 1.426 12.502 -2.842 1.00 0.00 LB2 ATOM 1733 C210 POPE 1 2.361 10.681 -2.226 1.00 0.00 LB2 ATOM 1734 H101 POPE 1 2.851 11.352 -1.485 1.00 0.00 LB2 ATOM 1735 C211 POPE 1 2.649 9.211 -2.234 1.00 0.00 LB2 ATOM 1736 H11R POPE 1 2.164 8.701 -3.118 1.00 0.00 LB2 ATOM 1737 H11S POPE 1 3.716 9.002 -2.358 1.00 0.00 LB2 ATOM 1738 C212 POPE 1 2.128 8.438 -1.008 1.00 0.00 LB2 ATOM 1739 H12R POPE 1 1.054 8.268 -0.833 1.00 0.00 LB2 ATOM 1740 H12S POPE 1 2.616 7.464 -1.138 1.00 0.00 LB2 ATOM 1741 C213 POPE 1 2.727 8.964 0.320 1.00 0.00 LB2 ATOM 1742 H13R POPE 1 3.787 8.994 0.094 1.00 0.00 LB2 ATOM 1743 H13S POPE 1 2.475 10.063 0.478 1.00 0.00 LB2 ATOM 1744 C214 POPE 1 2.434 8.133 1.543 1.00 0.00 LB2 ATOM 1745 H14R POPE 1 1.359 7.953 1.404 1.00 0.00 LB2 ATOM 1746 H14S POPE 1 2.896 7.103 1.706 1.00 0.00 LB2 ATOM 1747 C215 POPE 1 2.607 8.893 2.924 1.00 0.00 LB2 ATOM 1748 H15R POPE 1 3.771 8.978 2.923 1.00 0.00 LB2 ATOM 1749 H15S POPE 1 2.116 9.843 2.913 1.00 0.00 LB2 ATOM 1750 C216 POPE 1 2.494 8.069 4.242 1.00 0.00 LB2 ATOM 1751 H16R POPE 1 1.468 7.804 4.412 1.00 0.00 LB2 ATOM 1752 H16S POPE 1 3.028 7.120 4.184 1.00 0.00 LB2 ATOM 1753 C217 POPE 1 3.140 8.753 5.414 1.00 0.00 LB2 ATOM 1754 H17R POPE 1 4.263 8.761 5.309 1.00 0.00 LB2 ATOM 1755 H17S POPE 1 2.904 9.809 5.392 1.00 0.00 LB2 ATOM 1756 C218 POPE 1 2.924 7.966 6.698 1.00 0.00 LB2 ATOM 1757 H18R POPE 1 3.461 8.433 7.563 1.00 0.00 LB2 ATOM 1758 H18S POPE 1 1.900 8.055 6.923 1.00 0.00 LB2 ATOM 1759 H18T POPE 1 3.251 6.874 6.581 1.00 0.00 LB2 ATOM 1760 C33 POPE 1 -4.718 12.677 -15.916 1.00 0.00 LB2 ATOM 1761 H3X POPE 1 -4.584 13.776 -15.592 1.00 0.00 LB2 ATOM 1762 H3Y POPE 1 -5.778 12.663 -16.225 1.00 0.00 LB2 ATOM 1763 C34 POPE 1 -4.603 11.855 -14.674 1.00 0.00 LB2 ATOM 1764 H4X POPE 1 -5.217 10.948 -14.722 1.00 0.00 LB2 ATOM 1765 H4Y POPE 1 -3.561 11.596 -14.434 1.00 0.00 LB2 ATOM 1766 C35 POPE 1 -5.096 12.689 -13.460 1.00 0.00 LB2 ATOM 1767 H5X POPE 1 -4.448 13.548 -13.453 1.00 0.00 LB2 ATOM 1768 H5Y POPE 1 -6.156 13.100 -13.465 1.00 0.00 LB2 ATOM 1769 C36 POPE 1 -4.847 11.807 -12.213 1.00 0.00 LB2 ATOM 1770 H6X POPE 1 -5.553 10.972 -12.207 1.00 0.00 LB2 ATOM 1771 H6Y POPE 1 -3.814 11.438 -12.073 1.00 0.00 LB2 ATOM 1772 C37 POPE 1 -5.066 12.662 -10.968 1.00 0.00 LB2 ATOM 1773 H7X POPE 1 -4.449 13.565 -11.212 1.00 0.00 LB2 ATOM 1774 H7Y POPE 1 -6.178 12.961 -10.967 1.00 0.00 LB2 ATOM 1775 C38 POPE 1 -4.768 11.940 -9.633 1.00 0.00 LB2 ATOM 1776 H8X POPE 1 -5.570 11.183 -9.565 1.00 0.00 LB2 ATOM 1777 H8Y POPE 1 -3.804 11.399 -9.688 1.00 0.00 LB2 ATOM 1778 C39 POPE 1 -4.786 12.800 -8.388 1.00 0.00 LB2 ATOM 1779 H9X POPE 1 -4.218 13.744 -8.705 1.00 0.00 LB2 ATOM 1780 H9Y POPE 1 -5.810 13.110 -8.201 1.00 0.00 LB2 ATOM 1781 C310 POPE 1 -3.979 12.290 -7.198 1.00 0.00 LB2 ATOM 1782 H10X POPE 1 -4.397 11.295 -6.822 1.00 0.00 LB2 ATOM 1783 H10Y POPE 1 -2.885 12.092 -7.386 1.00 0.00 LB2 ATOM 1784 C311 POPE 1 -3.794 13.361 -6.131 1.00 0.00 LB2 ATOM 1785 H11X POPE 1 -3.084 14.019 -6.639 1.00 0.00 LB2 ATOM 1786 H11Y POPE 1 -4.707 13.838 -5.861 1.00 0.00 LB2 ATOM 1787 C312 POPE 1 -3.192 12.807 -4.799 1.00 0.00 LB2 ATOM 1788 H12X POPE 1 -3.961 12.233 -4.202 1.00 0.00 LB2 ATOM 1789 H12Y POPE 1 -2.428 12.122 -5.113 1.00 0.00 LB2 ATOM 1790 C313 POPE 1 -2.637 14.043 -4.022 1.00 0.00 LB2 ATOM 1791 H13X POPE 1 -2.359 14.791 -4.720 1.00 0.00 LB2 ATOM 1792 H13Y POPE 1 -3.515 14.441 -3.489 1.00 0.00 LB2 ATOM 1793 C314 POPE 1 -1.474 13.667 -3.090 1.00 0.00 LB2 ATOM 1794 H14X POPE 1 -1.649 12.580 -2.808 1.00 0.00 LB2 ATOM 1795 H14Y POPE 1 -0.523 13.701 -3.649 1.00 0.00 LB2 ATOM 1796 C315 POPE 1 -1.360 14.581 -1.899 1.00 0.00 LB2 ATOM 1797 H15X POPE 1 -1.402 15.576 -2.246 1.00 0.00 LB2 ATOM 1798 H15Y POPE 1 -2.328 14.405 -1.474 1.00 0.00 LB2 ATOM 1799 C316 POPE 1 -0.218 14.167 -0.936 1.00 0.00 LB2 ATOM 1800 H16X POPE 1 0.820 14.233 -1.398 1.00 0.00 LB2 ATOM 1801 H16Y POPE 1 -0.486 13.173 -0.590 1.00 0.00 LB2 ATOM 1802 H16Z POPE 1 -0.203 14.811 -0.072 1.00 0.00 LB2 ATOM 1803 N POPE 1 -8.457 5.683 -18.929 1.00 0.00 LB3 ATOM 1804 HN1 POPE 1 -9.278 5.574 -19.581 1.00 0.00 LB3 ATOM 1805 HN2 POPE 1 -7.772 6.130 -19.500 1.00 0.00 LB3 ATOM 1806 HN3 POPE 1 -8.180 4.750 -18.545 1.00 0.00 LB3 ATOM 1807 C12 POPE 1 -8.822 6.674 -17.821 1.00 0.00 LB3 ATOM 1808 H12A POPE 1 -8.974 6.095 -16.855 1.00 0.00 LB3 ATOM 1809 H12B POPE 1 -9.671 7.265 -18.174 1.00 0.00 LB3 ATOM 1810 C11 POPE 1 -7.748 7.815 -17.664 1.00 0.00 LB3 ATOM 1811 H11A POPE 1 -7.719 8.341 -18.664 1.00 0.00 LB3 ATOM 1812 H11B POPE 1 -8.123 8.351 -16.800 1.00 0.00 LB3 ATOM 1813 P POPE 1 -5.399 8.007 -16.862 1.00 0.00 LB3 ATOM 1814 O13 POPE 1 -4.180 7.187 -16.562 1.00 0.00 LB3 ATOM 1815 O14 POPE 1 -5.179 9.165 -17.772 1.00 0.00 LB3 ATOM 1816 O11 POPE 1 -5.990 8.587 -15.594 1.00 0.00 LB3 ATOM 1817 O12 POPE 1 -6.551 7.138 -17.355 1.00 0.00 LB3 ATOM 1818 C1 POPE 1 -6.360 7.710 -14.496 1.00 0.00 LB3 ATOM 1819 HA POPE 1 -7.126 6.978 -14.733 1.00 0.00 LB3 ATOM 1820 HB POPE 1 -5.550 7.079 -14.152 1.00 0.00 LB3 ATOM 1821 C2 POPE 1 -6.790 8.594 -13.317 1.00 0.00 LB3 ATOM 1822 HS POPE 1 -5.943 9.250 -13.202 1.00 0.00 LB3 ATOM 1823 O21 POPE 1 -7.048 7.824 -12.139 1.00 0.00 LB3 ATOM 1824 C21 POPE 1 -6.088 7.696 -11.248 1.00 0.00 LB3 ATOM 1825 O22 POPE 1 -4.977 8.198 -11.272 1.00 0.00 LB3 ATOM 1826 C22 POPE 1 -6.691 6.916 -10.156 1.00 0.00 LB3 ATOM 1827 H2R POPE 1 -7.269 7.638 -9.536 1.00 0.00 LB3 ATOM 1828 H2S POPE 1 -7.451 6.211 -10.591 1.00 0.00 LB3 ATOM 1829 C3 POPE 1 -8.111 9.327 -13.654 1.00 0.00 LB3 ATOM 1830 HX POPE 1 -8.468 9.878 -12.775 1.00 0.00 LB3 ATOM 1831 HY POPE 1 -7.862 10.069 -14.502 1.00 0.00 LB3 ATOM 1832 O31 POPE 1 -9.139 8.402 -14.038 1.00 0.00 LB3 ATOM 1833 C31 POPE 1 -10.208 8.806 -14.722 1.00 0.00 LB3 ATOM 1834 O32 POPE 1 -10.476 9.946 -15.022 1.00 0.00 LB3 ATOM 1835 C32 POPE 1 -11.161 7.671 -15.007 1.00 0.00 LB3 ATOM 1836 H2X POPE 1 -11.241 7.647 -16.173 1.00 0.00 LB3 ATOM 1837 H2Y POPE 1 -10.840 6.660 -14.637 1.00 0.00 LB3 ATOM 1838 C23 POPE 1 -5.690 6.256 -9.175 1.00 0.00 LB3 ATOM 1839 H3R POPE 1 -5.128 5.489 -9.811 1.00 0.00 LB3 ATOM 1840 H3S POPE 1 -5.058 7.088 -8.745 1.00 0.00 LB3 ATOM 1841 C24 POPE 1 -6.511 5.674 -7.984 1.00 0.00 LB3 ATOM 1842 H4R POPE 1 -7.254 6.436 -7.756 1.00 0.00 LB3 ATOM 1843 H4S POPE 1 -7.014 4.723 -8.247 1.00 0.00 LB3 ATOM 1844 C25 POPE 1 -5.645 5.282 -6.736 1.00 0.00 LB3 ATOM 1845 H5R POPE 1 -5.158 4.301 -6.973 1.00 0.00 LB3 ATOM 1846 H5S POPE 1 -4.783 6.067 -6.567 1.00 0.00 LB3 ATOM 1847 C26 POPE 1 -6.413 5.296 -5.395 1.00 0.00 LB3 ATOM 1848 H6R POPE 1 -6.851 6.342 -5.349 1.00 0.00 LB3 ATOM 1849 H6S POPE 1 -7.197 4.557 -5.438 1.00 0.00 LB3 ATOM 1850 C27 POPE 1 -5.353 5.213 -4.248 1.00 0.00 LB3 ATOM 1851 H7R POPE 1 -4.865 4.171 -4.492 1.00 0.00 LB3 ATOM 1852 H7S POPE 1 -4.519 5.960 -4.313 1.00 0.00 LB3 ATOM 1853 C28 POPE 1 -5.995 5.147 -2.808 1.00 0.00 LB3 ATOM 1854 H8R POPE 1 -7.009 4.605 -2.817 1.00 0.00 LB3 ATOM 1855 H8S POPE 1 -5.290 4.705 -2.187 1.00 0.00 LB3 ATOM 1856 C29 POPE 1 -6.232 6.533 -2.290 1.00 0.00 LB3 ATOM 1857 H91 POPE 1 -6.940 7.039 -2.929 1.00 0.00 LB3 ATOM 1858 C210 POPE 1 -5.764 7.212 -1.284 1.00 0.00 LB3 ATOM 1859 H101 POPE 1 -6.154 8.214 -1.069 1.00 0.00 LB3 ATOM 1860 C211 POPE 1 -4.799 6.709 -0.264 1.00 0.00 LB3 ATOM 1861 H11R POPE 1 -4.539 5.748 -0.557 1.00 0.00 LB3 ATOM 1862 H11S POPE 1 -3.863 7.402 -0.317 1.00 0.00 LB3 ATOM 1863 C212 POPE 1 -5.408 6.601 1.080 1.00 0.00 LB3 ATOM 1864 H12R POPE 1 -6.420 6.193 1.240 1.00 0.00 LB3 ATOM 1865 H12S POPE 1 -4.753 5.880 1.671 1.00 0.00 LB3 ATOM 1866 C213 POPE 1 -5.233 7.854 1.824 1.00 0.00 LB3 ATOM 1867 H13R POPE 1 -4.229 8.316 1.664 1.00 0.00 LB3 ATOM 1868 H13S POPE 1 -5.937 8.660 1.425 1.00 0.00 LB3 ATOM 1869 C214 POPE 1 -5.463 7.667 3.354 1.00 0.00 LB3 ATOM 1870 H14R POPE 1 -6.524 7.333 3.458 1.00 0.00 LB3 ATOM 1871 H14S POPE 1 -4.765 6.970 3.677 1.00 0.00 LB3 ATOM 1872 C215 POPE 1 -5.222 9.056 3.990 1.00 0.00 LB3 ATOM 1873 H15R POPE 1 -4.157 9.320 3.945 1.00 0.00 LB3 ATOM 1874 H15S POPE 1 -5.686 9.801 3.353 1.00 0.00 LB3 ATOM 1875 C216 POPE 1 -5.737 9.006 5.393 1.00 0.00 LB3 ATOM 1876 H16R POPE 1 -6.867 8.860 5.423 1.00 0.00 LB3 ATOM 1877 H16S POPE 1 -5.262 8.097 5.823 1.00 0.00 LB3 ATOM 1878 C217 POPE 1 -5.316 10.124 6.285 1.00 0.00 LB3 ATOM 1879 H17R POPE 1 -4.281 10.275 6.372 1.00 0.00 LB3 ATOM 1880 H17S POPE 1 -5.645 11.075 5.778 1.00 0.00 LB3 ATOM 1881 C218 POPE 1 -5.938 9.985 7.642 1.00 0.00 LB3 ATOM 1882 H18R POPE 1 -5.384 10.553 8.379 1.00 0.00 LB3 ATOM 1883 H18S POPE 1 -6.955 10.389 7.543 1.00 0.00 LB3 ATOM 1884 H18T POPE 1 -6.004 8.887 7.957 1.00 0.00 LB3 ATOM 1885 C33 POPE 1 -12.466 7.937 -14.323 1.00 0.00 LB3 ATOM 1886 H3X POPE 1 -12.831 8.996 -14.457 1.00 0.00 LB3 ATOM 1887 H3Y POPE 1 -13.269 7.211 -14.760 1.00 0.00 LB3 ATOM 1888 C34 POPE 1 -12.329 7.631 -12.855 1.00 0.00 LB3 ATOM 1889 H4X POPE 1 -11.874 6.605 -12.862 1.00 0.00 LB3 ATOM 1890 H4Y POPE 1 -11.522 8.298 -12.448 1.00 0.00 LB3 ATOM 1891 C35 POPE 1 -13.682 7.746 -12.078 1.00 0.00 LB3 ATOM 1892 H5X POPE 1 -14.071 8.767 -12.118 1.00 0.00 LB3 ATOM 1893 H5Y POPE 1 -14.501 7.109 -12.474 1.00 0.00 LB3 ATOM 1894 C36 POPE 1 -13.337 7.325 -10.611 1.00 0.00 LB3 ATOM 1895 H6X POPE 1 -13.303 6.249 -10.580 1.00 0.00 LB3 ATOM 1896 H6Y POPE 1 -12.372 7.760 -10.341 1.00 0.00 LB3 ATOM 1897 C37 POPE 1 -14.254 7.849 -9.456 1.00 0.00 LB3 ATOM 1898 H7X POPE 1 -14.005 8.898 -9.426 1.00 0.00 LB3 ATOM 1899 H7Y POPE 1 -15.338 7.690 -9.532 1.00 0.00 LB3 ATOM 1900 C38 POPE 1 -13.911 7.306 -8.068 1.00 0.00 LB3 ATOM 1901 H8X POPE 1 -14.037 6.232 -7.931 1.00 0.00 LB3 ATOM 1902 H8Y POPE 1 -12.828 7.389 -8.056 1.00 0.00 LB3 ATOM 1903 C39 POPE 1 -14.516 8.097 -6.950 1.00 0.00 LB3 ATOM 1904 H9X POPE 1 -14.294 9.129 -7.064 1.00 0.00 LB3 ATOM 1905 H9Y POPE 1 -15.617 8.047 -6.932 1.00 0.00 LB3 ATOM 1906 C310 POPE 1 -14.054 7.705 -5.516 1.00 0.00 LB3 ATOM 1907 H10X POPE 1 -14.558 6.739 -5.308 1.00 0.00 LB3 ATOM 1908 H10Y POPE 1 -12.966 7.478 -5.518 1.00 0.00 LB3 ATOM 1909 C311 POPE 1 -14.315 8.770 -4.419 1.00 0.00 LB3 ATOM 1910 H11X POPE 1 -13.963 9.757 -4.798 1.00 0.00 LB3 ATOM 1911 H11Y POPE 1 -15.409 8.947 -4.087 1.00 0.00 LB3 ATOM 1912 C312 POPE 1 -13.557 8.431 -3.079 1.00 0.00 LB3 ATOM 1913 H12X POPE 1 -13.786 7.353 -2.897 1.00 0.00 LB3 ATOM 1914 H12Y POPE 1 -12.403 8.496 -3.281 1.00 0.00 LB3 ATOM 1915 C313 POPE 1 -13.819 9.194 -1.778 1.00 0.00 LB3 ATOM 1916 H13X POPE 1 -13.347 10.156 -1.753 1.00 0.00 LB3 ATOM 1917 H13Y POPE 1 -14.882 9.400 -1.766 1.00 0.00 LB3 ATOM 1918 C314 POPE 1 -13.312 8.430 -0.512 1.00 0.00 LB3 ATOM 1919 H14X POPE 1 -13.712 7.407 -0.417 1.00 0.00 LB3 ATOM 1920 H14Y POPE 1 -12.231 8.291 -0.695 1.00 0.00 LB3 ATOM 1921 C315 POPE 1 -13.674 9.281 0.751 1.00 0.00 LB3 ATOM 1922 H15X POPE 1 -13.365 10.265 0.334 1.00 0.00 LB3 ATOM 1923 H15Y POPE 1 -14.808 9.170 0.903 1.00 0.00 LB3 ATOM 1924 C316 POPE 1 -13.043 8.978 2.068 1.00 0.00 LB3 ATOM 1925 H16X POPE 1 -13.455 9.855 2.671 1.00 0.00 LB3 ATOM 1926 H16Y POPE 1 -11.989 8.974 2.176 1.00 0.00 LB3 ATOM 1927 H16Z POPE 1 -13.589 8.098 2.490 1.00 0.00 LB3 ATOM 1928 N POPE 1 -11.617 1.426 -20.647 1.00 0.00 LB4 ATOM 1929 HN1 POPE 1 -11.307 0.704 -21.353 1.00 0.00 LB4 ATOM 1930 HN2 POPE 1 -12.610 1.614 -20.852 1.00 0.00 LB4 ATOM 1931 HN3 POPE 1 -11.056 2.290 -20.701 1.00 0.00 LB4 ATOM 1932 C12 POPE 1 -11.591 0.897 -19.234 1.00 0.00 LB4 ATOM 1933 H12A POPE 1 -10.616 0.560 -19.024 1.00 0.00 LB4 ATOM 1934 H12B POPE 1 -12.124 -0.094 -19.185 1.00 0.00 LB4 ATOM 1935 C11 POPE 1 -12.242 1.845 -18.196 1.00 0.00 LB4 ATOM 1936 H11A POPE 1 -13.378 1.948 -18.521 1.00 0.00 LB4 ATOM 1937 H11B POPE 1 -12.100 1.290 -17.228 1.00 0.00 LB4 ATOM 1938 P POPE 1 -11.862 4.174 -16.987 1.00 0.00 LB4 ATOM 1939 O13 POPE 1 -10.599 4.344 -16.335 1.00 0.00 LB4 ATOM 1940 O14 POPE 1 -12.481 5.406 -17.598 1.00 0.00 LB4 ATOM 1941 O11 POPE 1 -12.820 3.450 -15.965 1.00 0.00 LB4 ATOM 1942 O12 POPE 1 -11.676 3.217 -18.181 1.00 0.00 LB4 ATOM 1943 C1 POPE 1 -12.324 3.348 -14.574 1.00 0.00 LB4 ATOM 1944 HA POPE 1 -11.302 2.844 -14.446 1.00 0.00 LB4 ATOM 1945 HB POPE 1 -12.314 4.382 -14.159 1.00 0.00 LB4 ATOM 1946 C2 POPE 1 -13.334 2.425 -13.642 1.00 0.00 LB4 ATOM 1947 HS POPE 1 -14.291 2.885 -13.510 1.00 0.00 LB4 ATOM 1948 O21 POPE 1 -12.650 2.272 -12.330 1.00 0.00 LB4 ATOM 1949 C21 POPE 1 -13.497 2.078 -11.282 1.00 0.00 LB4 ATOM 1950 O22 POPE 1 -14.688 2.001 -11.428 1.00 0.00 LB4 ATOM 1951 C22 POPE 1 -12.838 2.032 -9.917 1.00 0.00 LB4 ATOM 1952 H2R POPE 1 -11.660 2.031 -10.104 1.00 0.00 LB4 ATOM 1953 H2S POPE 1 -13.065 3.000 -9.387 1.00 0.00 LB4 ATOM 1954 C3 POPE 1 -13.566 1.030 -14.176 1.00 0.00 LB4 ATOM 1955 HX POPE 1 -14.355 0.392 -13.644 1.00 0.00 LB4 ATOM 1956 HY POPE 1 -14.110 1.053 -15.143 1.00 0.00 LB4 ATOM 1957 O31 POPE 1 -12.307 0.386 -14.413 1.00 0.00 LB4 ATOM 1958 C31 POPE 1 -11.745 -0.404 -13.521 1.00 0.00 LB4 ATOM 1959 O32 POPE 1 -12.018 -0.493 -12.325 1.00 0.00 LB4 ATOM 1960 C32 POPE 1 -10.753 -1.325 -14.201 1.00 0.00 LB4 ATOM 1961 H2X POPE 1 -10.272 -0.733 -15.083 1.00 0.00 LB4 ATOM 1962 H2Y POPE 1 -9.949 -1.592 -13.454 1.00 0.00 LB4 ATOM 1963 C23 POPE 1 -13.167 0.809 -9.026 1.00 0.00 LB4 ATOM 1964 H3R POPE 1 -14.239 0.428 -9.137 1.00 0.00 LB4 ATOM 1965 H3S POPE 1 -12.533 -0.089 -9.272 1.00 0.00 LB4 ATOM 1966 C24 POPE 1 -12.861 1.035 -7.479 1.00 0.00 LB4 ATOM 1967 H4R POPE 1 -11.842 1.428 -7.428 1.00 0.00 LB4 ATOM 1968 H4S POPE 1 -13.460 1.877 -7.002 1.00 0.00 LB4 ATOM 1969 C25 POPE 1 -12.864 -0.214 -6.557 1.00 0.00 LB4 ATOM 1970 H5R POPE 1 -13.957 -0.559 -6.435 1.00 0.00 LB4 ATOM 1971 H5S POPE 1 -12.163 -0.874 -6.976 1.00 0.00 LB4 ATOM 1972 C26 POPE 1 -12.315 0.202 -5.234 1.00 0.00 LB4 ATOM 1973 H6R POPE 1 -11.178 0.296 -5.254 1.00 0.00 LB4 ATOM 1974 H6S POPE 1 -12.753 1.238 -5.070 1.00 0.00 LB4 ATOM 1975 C27 POPE 1 -12.839 -0.421 -3.953 1.00 0.00 LB4 ATOM 1976 H7R POPE 1 -13.959 -0.293 -4.006 1.00 0.00 LB4 ATOM 1977 H7S POPE 1 -12.564 -1.502 -3.960 1.00 0.00 LB4 ATOM 1978 C28 POPE 1 -12.225 0.267 -2.684 1.00 0.00 LB4 ATOM 1979 H8R POPE 1 -11.119 0.425 -2.924 1.00 0.00 LB4 ATOM 1980 H8S POPE 1 -12.590 1.274 -2.587 1.00 0.00 LB4 ATOM 1981 C29 POPE 1 -12.513 -0.620 -1.426 1.00 0.00 LB4 ATOM 1982 H91 POPE 1 -12.649 -1.728 -1.688 1.00 0.00 LB4 ATOM 1983 C210 POPE 1 -12.535 -0.276 -0.149 1.00 0.00 LB4 ATOM 1984 H101 POPE 1 -12.828 -1.086 0.561 1.00 0.00 LB4 ATOM 1985 C211 POPE 1 -12.397 1.095 0.518 1.00 0.00 LB4 ATOM 1986 H11R POPE 1 -12.034 1.876 -0.123 1.00 0.00 LB4 ATOM 1987 H11S POPE 1 -13.402 1.417 0.838 1.00 0.00 LB4 ATOM 1988 C212 POPE 1 -11.759 0.993 1.890 1.00 0.00 LB4 ATOM 1989 H12R POPE 1 -10.825 0.412 1.821 1.00 0.00 LB4 ATOM 1990 H12S POPE 1 -11.447 2.012 2.197 1.00 0.00 LB4 ATOM 1991 C213 POPE 1 -12.495 0.329 3.105 1.00 0.00 LB4 ATOM 1992 H13R POPE 1 -13.623 0.552 3.170 1.00 0.00 LB4 ATOM 1993 H13S POPE 1 -12.433 -0.737 2.988 1.00 0.00 LB4 ATOM 1994 C214 POPE 1 -11.900 0.634 4.419 1.00 0.00 LB4 ATOM 1995 H14R POPE 1 -10.821 0.176 4.383 1.00 0.00 LB4 ATOM 1996 H14S POPE 1 -11.773 1.695 4.665 1.00 0.00 LB4 ATOM 1997 C215 POPE 1 -12.562 -0.136 5.608 1.00 0.00 LB4 ATOM 1998 H15R POPE 1 -13.685 -0.041 5.662 1.00 0.00 LB4 ATOM 1999 H15S POPE 1 -12.362 -1.257 5.429 1.00 0.00 LB4 ATOM 2000 C216 POPE 1 -11.949 0.306 6.994 1.00 0.00 LB4 ATOM 2001 H16R POPE 1 -10.895 -0.006 7.027 1.00 0.00 LB4 ATOM 2002 H16S POPE 1 -12.071 1.414 6.966 1.00 0.00 LB4 ATOM 2003 C217 POPE 1 -12.745 -0.317 8.127 1.00 0.00 LB4 ATOM 2004 H17R POPE 1 -13.847 -0.074 7.897 1.00 0.00 LB4 ATOM 2005 H17S POPE 1 -12.710 -1.448 8.208 1.00 0.00 LB4 ATOM 2006 C218 POPE 1 -12.422 0.339 9.426 1.00 0.00 LB4 ATOM 2007 H18R POPE 1 -12.743 -0.330 10.257 1.00 0.00 LB4 ATOM 2008 H18S POPE 1 -11.312 0.432 9.397 1.00 0.00 LB4 ATOM 2009 H18T POPE 1 -12.849 1.402 9.587 1.00 0.00 LB4 ATOM 2010 C33 POPE 1 -11.259 -2.685 -14.777 1.00 0.00 LB4 ATOM 2011 H3X POPE 1 -10.387 -3.217 -15.216 1.00 0.00 LB4 ATOM 2012 H3Y POPE 1 -11.436 -3.346 -13.878 1.00 0.00 LB4 ATOM 2013 C34 POPE 1 -12.401 -2.603 -15.766 1.00 0.00 LB4 ATOM 2014 H4X POPE 1 -12.650 -1.563 -16.009 1.00 0.00 LB4 ATOM 2015 H4Y POPE 1 -12.034 -3.105 -16.685 1.00 0.00 LB4 ATOM 2016 C35 POPE 1 -13.631 -3.406 -15.207 1.00 0.00 LB4 ATOM 2017 H5X POPE 1 -14.276 -3.741 -16.005 1.00 0.00 LB4 ATOM 2018 H5Y POPE 1 -13.189 -4.276 -14.741 1.00 0.00 LB4 ATOM 2019 C36 POPE 1 -14.573 -2.742 -14.142 1.00 0.00 LB4 ATOM 2020 H6X POPE 1 -14.915 -1.689 -14.315 1.00 0.00 LB4 ATOM 2021 H6Y POPE 1 -15.630 -3.149 -14.365 1.00 0.00 LB4 ATOM 2022 C37 POPE 1 -14.243 -3.120 -12.660 1.00 0.00 LB4 ATOM 2023 H7X POPE 1 -13.790 -4.133 -12.658 1.00 0.00 LB4 ATOM 2024 H7Y POPE 1 -13.532 -2.355 -12.374 1.00 0.00 LB4 ATOM 2025 C38 POPE 1 -15.506 -3.128 -11.809 1.00 0.00 LB4 ATOM 2026 H8X POPE 1 -16.154 -2.257 -12.113 1.00 0.00 LB4 ATOM 2027 H8Y POPE 1 -16.054 -4.064 -11.904 1.00 0.00 LB4 ATOM 2028 C39 POPE 1 -14.962 -3.033 -10.348 1.00 0.00 LB4 ATOM 2029 H9X POPE 1 -14.170 -3.878 -10.239 1.00 0.00 LB4 ATOM 2030 H9Y POPE 1 -14.498 -2.005 -10.142 1.00 0.00 LB4 ATOM 2031 C310 POPE 1 -15.936 -3.278 -9.167 1.00 0.00 LB4 ATOM 2032 H10X POPE 1 -16.898 -2.701 -9.165 1.00 0.00 LB4 ATOM 2033 H10Y POPE 1 -16.276 -4.348 -9.107 1.00 0.00 LB4 ATOM 2034 C311 POPE 1 -15.304 -2.973 -7.774 1.00 0.00 LB4 ATOM 2035 H11X POPE 1 -14.330 -3.565 -7.717 1.00 0.00 LB4 ATOM 2036 H11Y POPE 1 -15.017 -1.904 -7.697 1.00 0.00 LB4 ATOM 2037 C312 POPE 1 -16.245 -3.409 -6.563 1.00 0.00 LB4 ATOM 2038 H12X POPE 1 -17.174 -2.731 -6.583 1.00 0.00 LB4 ATOM 2039 H12Y POPE 1 -16.617 -4.443 -6.709 1.00 0.00 LB4 ATOM 2040 C313 POPE 1 -15.450 -3.193 -5.272 1.00 0.00 LB4 ATOM 2041 H13X POPE 1 -14.732 -4.032 -5.223 1.00 0.00 LB4 ATOM 2042 H13Y POPE 1 -14.976 -2.204 -5.311 1.00 0.00 LB4 ATOM 2043 C314 POPE 1 -16.433 -3.278 -4.045 1.00 0.00 LB4 ATOM 2044 H14X POPE 1 -17.056 -2.259 -4.042 1.00 0.00 LB4 ATOM 2045 H14Y POPE 1 -17.068 -4.243 -4.184 1.00 0.00 LB4 ATOM 2046 C315 POPE 1 -15.725 -3.351 -2.671 1.00 0.00 LB4 ATOM 2047 H15X POPE 1 -15.126 -4.237 -2.557 1.00 0.00 LB4 ATOM 2048 H15Y POPE 1 -14.979 -2.507 -2.645 1.00 0.00 LB4 ATOM 2049 C316 POPE 1 -16.618 -3.222 -1.366 1.00 0.00 LB4 ATOM 2050 H16X POPE 1 -17.395 -4.012 -1.368 1.00 0.00 LB4 ATOM 2051 H16Y POPE 1 -17.153 -2.251 -1.424 1.00 0.00 LB4 ATOM 2052 H16Z POPE 1 -16.002 -3.180 -0.397 1.00 0.00 LB4 ATOM 2053 N POPE 1 -4.924 -7.269 -20.294 1.00 0.00 LB5 ATOM 2054 HN1 POPE 1 -3.973 -7.652 -20.582 1.00 0.00 LB5 ATOM 2055 HN2 POPE 1 -5.414 -6.903 -21.167 1.00 0.00 LB5 ATOM 2056 HN3 POPE 1 -4.896 -6.545 -19.606 1.00 0.00 LB5 ATOM 2057 C12 POPE 1 -5.707 -8.460 -19.738 1.00 0.00 LB5 ATOM 2058 H12A POPE 1 -5.222 -8.752 -18.832 1.00 0.00 LB5 ATOM 2059 H12B POPE 1 -5.567 -9.319 -20.466 1.00 0.00 LB5 ATOM 2060 C11 POPE 1 -7.173 -7.982 -19.511 1.00 0.00 LB5 ATOM 2061 H11A POPE 1 -7.552 -7.531 -20.467 1.00 0.00 LB5 ATOM 2062 H11B POPE 1 -7.749 -8.943 -19.265 1.00 0.00 LB5 ATOM 2063 P POPE 1 -8.008 -5.678 -18.517 1.00 0.00 LB5 ATOM 2064 O13 POPE 1 -7.125 -4.515 -18.272 1.00 0.00 LB5 ATOM 2065 O14 POPE 1 -8.692 -5.600 -19.813 1.00 0.00 LB5 ATOM 2066 O11 POPE 1 -9.083 -5.771 -17.358 1.00 0.00 LB5 ATOM 2067 O12 POPE 1 -7.205 -7.048 -18.449 1.00 0.00 LB5 ATOM 2068 C1 POPE 1 -8.718 -6.124 -16.008 1.00 0.00 LB5 ATOM 2069 HA POPE 1 -7.798 -6.720 -15.910 1.00 0.00 LB5 ATOM 2070 HB POPE 1 -8.537 -5.138 -15.472 1.00 0.00 LB5 ATOM 2071 C2 POPE 1 -9.864 -6.955 -15.314 1.00 0.00 LB5 ATOM 2072 HS POPE 1 -10.775 -6.243 -15.262 1.00 0.00 LB5 ATOM 2073 O21 POPE 1 -9.434 -7.211 -14.002 1.00 0.00 LB5 ATOM 2074 C21 POPE 1 -10.293 -7.516 -13.107 1.00 0.00 LB5 ATOM 2075 O22 POPE 1 -11.527 -7.484 -13.282 1.00 0.00 LB5 ATOM 2076 C22 POPE 1 -9.583 -8.068 -11.816 1.00 0.00 LB5 ATOM 2077 H2R POPE 1 -9.345 -9.143 -11.997 1.00 0.00 LB5 ATOM 2078 H2S POPE 1 -8.645 -7.526 -11.736 1.00 0.00 LB5 ATOM 2079 C3 POPE 1 -10.144 -8.230 -16.052 1.00 0.00 LB5 ATOM 2080 HX POPE 1 -11.013 -8.802 -15.606 1.00 0.00 LB5 ATOM 2081 HY POPE 1 -10.333 -7.993 -17.100 1.00 0.00 LB5 ATOM 2082 O31 POPE 1 -9.012 -9.074 -15.900 1.00 0.00 LB5 ATOM 2083 C31 POPE 1 -9.124 -10.290 -16.505 1.00 0.00 LB5 ATOM 2084 O32 POPE 1 -10.175 -10.683 -16.963 1.00 0.00 LB5 ATOM 2085 C32 POPE 1 -7.729 -10.925 -16.777 1.00 0.00 LB5 ATOM 2086 H2X POPE 1 -7.863 -11.300 -17.816 1.00 0.00 LB5 ATOM 2087 H2Y POPE 1 -6.982 -10.107 -16.848 1.00 0.00 LB5 ATOM 2088 C23 POPE 1 -10.340 -7.910 -10.467 1.00 0.00 LB5 ATOM 2089 H3R POPE 1 -10.535 -6.870 -10.221 1.00 0.00 LB5 ATOM 2090 H3S POPE 1 -11.383 -8.461 -10.586 1.00 0.00 LB5 ATOM 2091 C24 POPE 1 -9.624 -8.581 -9.260 1.00 0.00 LB5 ATOM 2092 H4R POPE 1 -9.645 -9.764 -9.426 1.00 0.00 LB5 ATOM 2093 H4S POPE 1 -8.511 -8.348 -9.158 1.00 0.00 LB5 ATOM 2094 C25 POPE 1 -10.349 -8.147 -7.922 1.00 0.00 LB5 ATOM 2095 H5R POPE 1 -10.528 -7.064 -8.001 1.00 0.00 LB5 ATOM 2096 H5S POPE 1 -11.254 -8.752 -7.954 1.00 0.00 LB5 ATOM 2097 C26 POPE 1 -9.467 -8.433 -6.714 1.00 0.00 LB5 ATOM 2098 H6R POPE 1 -9.020 -9.485 -6.697 1.00 0.00 LB5 ATOM 2099 H6S POPE 1 -8.634 -7.694 -6.727 1.00 0.00 LB5 ATOM 2100 C27 POPE 1 -10.228 -8.179 -5.338 1.00 0.00 LB5 ATOM 2101 H7R POPE 1 -10.802 -7.196 -5.361 1.00 0.00 LB5 ATOM 2102 H7S POPE 1 -10.943 -9.006 -5.330 1.00 0.00 LB5 ATOM 2103 C28 POPE 1 -9.306 -8.230 -4.127 1.00 0.00 LB5 ATOM 2104 H8R POPE 1 -8.939 -9.259 -4.243 1.00 0.00 LB5 ATOM 2105 H8S POPE 1 -8.415 -7.550 -4.282 1.00 0.00 LB5 ATOM 2106 C29 POPE 1 -10.228 -8.090 -2.883 1.00 0.00 LB5 ATOM 2107 H91 POPE 1 -11.075 -8.787 -2.902 1.00 0.00 LB5 ATOM 2108 C210 POPE 1 -10.157 -7.222 -1.862 1.00 0.00 LB5 ATOM 2109 H101 POPE 1 -10.815 -7.393 -1.002 1.00 0.00 LB5 ATOM 2110 C211 POPE 1 -9.086 -6.203 -1.628 1.00 0.00 LB5 ATOM 2111 H11R POPE 1 -8.513 -6.076 -2.569 1.00 0.00 LB5 ATOM 2112 H11S POPE 1 -9.600 -5.242 -1.470 1.00 0.00 LB5 ATOM 2113 C212 POPE 1 -8.221 -6.500 -0.441 1.00 0.00 LB5 ATOM 2114 H12R POPE 1 -8.126 -7.651 -0.533 1.00 0.00 LB5 ATOM 2115 H12S POPE 1 -7.218 -6.087 -0.688 1.00 0.00 LB5 ATOM 2116 C213 POPE 1 -8.641 -6.116 1.029 1.00 0.00 LB5 ATOM 2117 H13R POPE 1 -8.732 -5.013 1.079 1.00 0.00 LB5 ATOM 2118 H13S POPE 1 -9.602 -6.522 1.303 1.00 0.00 LB5 ATOM 2119 C214 POPE 1 -7.616 -6.648 2.086 1.00 0.00 LB5 ATOM 2120 H14R POPE 1 -7.584 -7.777 2.118 1.00 0.00 LB5 ATOM 2121 H14S POPE 1 -6.605 -6.372 1.700 1.00 0.00 LB5 ATOM 2122 C215 POPE 1 -7.777 -6.106 3.507 1.00 0.00 LB5 ATOM 2123 H15R POPE 1 -7.944 -5.046 3.424 1.00 0.00 LB5 ATOM 2124 H15S POPE 1 -8.701 -6.557 3.976 1.00 0.00 LB5 ATOM 2125 C216 POPE 1 -6.644 -6.353 4.531 1.00 0.00 LB5 ATOM 2126 H16R POPE 1 -6.225 -7.376 4.448 1.00 0.00 LB5 ATOM 2127 H16S POPE 1 -5.849 -5.569 4.252 1.00 0.00 LB5 ATOM 2128 C217 POPE 1 -7.046 -6.117 5.977 1.00 0.00 LB5 ATOM 2129 H17R POPE 1 -7.540 -5.180 6.098 1.00 0.00 LB5 ATOM 2130 H17S POPE 1 -7.830 -6.938 6.257 1.00 0.00 LB5 ATOM 2131 C218 POPE 1 -5.854 -6.155 6.908 1.00 0.00 LB5 ATOM 2132 H18R POPE 1 -6.050 -5.800 7.947 1.00 0.00 LB5 ATOM 2133 H18S POPE 1 -5.279 -7.105 6.826 1.00 0.00 LB5 ATOM 2134 H18T POPE 1 -5.086 -5.370 6.635 1.00 0.00 LB5 ATOM 2135 C33 POPE 1 -7.326 -12.067 -15.812 1.00 0.00 LB5 ATOM 2136 H3X POPE 1 -8.147 -12.758 -15.884 1.00 0.00 LB5 ATOM 2137 H3Y POPE 1 -6.333 -12.475 -16.152 1.00 0.00 LB5 ATOM 2138 C34 POPE 1 -7.099 -11.522 -14.322 1.00 0.00 LB5 ATOM 2139 H4X POPE 1 -6.296 -10.800 -14.476 1.00 0.00 LB5 ATOM 2140 H4Y POPE 1 -8.088 -11.130 -13.904 1.00 0.00 LB5 ATOM 2141 C35 POPE 1 -6.656 -12.610 -13.397 1.00 0.00 LB5 ATOM 2142 H5X POPE 1 -7.383 -13.499 -13.484 1.00 0.00 LB5 ATOM 2143 H5Y POPE 1 -5.655 -12.980 -13.791 1.00 0.00 LB5 ATOM 2144 C36 POPE 1 -6.689 -12.228 -11.949 1.00 0.00 LB5 ATOM 2145 H6X POPE 1 -6.088 -11.325 -11.732 1.00 0.00 LB5 ATOM 2146 H6Y POPE 1 -7.670 -11.888 -11.643 1.00 0.00 LB5 ATOM 2147 C37 POPE 1 -6.400 -13.433 -11.002 1.00 0.00 LB5 ATOM 2148 H7X POPE 1 -7.025 -14.289 -11.326 1.00 0.00 LB5 ATOM 2149 H7Y POPE 1 -5.309 -13.743 -11.161 1.00 0.00 LB5 ATOM 2150 C38 POPE 1 -6.570 -12.974 -9.619 1.00 0.00 LB5 ATOM 2151 H8X POPE 1 -5.958 -12.069 -9.463 1.00 0.00 LB5 ATOM 2152 H8Y POPE 1 -7.610 -12.625 -9.393 1.00 0.00 LB5 ATOM 2153 C39 POPE 1 -6.030 -14.050 -8.639 1.00 0.00 LB5 ATOM 2154 H9X POPE 1 -6.641 -15.018 -8.753 1.00 0.00 LB5 ATOM 2155 H9Y POPE 1 -5.025 -14.397 -8.883 1.00 0.00 LB5 ATOM 2156 C310 POPE 1 -6.023 -13.433 -7.281 1.00 0.00 LB5 ATOM 2157 H10X POPE 1 -5.437 -12.459 -7.299 1.00 0.00 LB5 ATOM 2158 H10Y POPE 1 -7.066 -13.116 -7.079 1.00 0.00 LB5 ATOM 2159 C311 POPE 1 -5.589 -14.417 -6.161 1.00 0.00 LB5 ATOM 2160 H11X POPE 1 -6.236 -15.315 -6.302 1.00 0.00 LB5 ATOM 2161 H11Y POPE 1 -4.593 -14.812 -6.244 1.00 0.00 LB5 ATOM 2162 C312 POPE 1 -5.911 -13.893 -4.764 1.00 0.00 LB5 ATOM 2163 H12X POPE 1 -5.526 -12.892 -4.669 1.00 0.00 LB5 ATOM 2164 H12Y POPE 1 -7.017 -13.838 -4.707 1.00 0.00 LB5 ATOM 2165 C313 POPE 1 -5.257 -14.732 -3.620 1.00 0.00 LB5 ATOM 2166 H13X POPE 1 -5.511 -15.799 -3.759 1.00 0.00 LB5 ATOM 2167 H13Y POPE 1 -4.186 -14.644 -3.729 1.00 0.00 LB5 ATOM 2168 C314 POPE 1 -5.626 -14.277 -2.183 1.00 0.00 LB5 ATOM 2169 H14X POPE 1 -5.308 -13.210 -2.030 1.00 0.00 LB5 ATOM 2170 H14Y POPE 1 -6.679 -14.377 -2.073 1.00 0.00 LB5 ATOM 2171 C315 POPE 1 -4.952 -15.125 -1.044 1.00 0.00 LB5 ATOM 2172 H15X POPE 1 -5.477 -16.147 -1.098 1.00 0.00 LB5 ATOM 2173 H15Y POPE 1 -3.893 -15.218 -1.334 1.00 0.00 LB5 ATOM 2174 C316 POPE 1 -5.016 -14.593 0.382 1.00 0.00 LB5 ATOM 2175 H16X POPE 1 -6.043 -14.609 0.865 1.00 0.00 LB5 ATOM 2176 H16Y POPE 1 -4.662 -13.531 0.370 1.00 0.00 LB5 ATOM 2177 H16Z POPE 1 -4.296 -15.153 0.989 1.00 0.00 LB5 ATOM 2178 N POPE 1 1.694 -9.894 -19.576 1.00 0.00 LB6 ATOM 2179 HN1 POPE 1 2.734 -9.796 -19.722 1.00 0.00 LB6 ATOM 2180 HN2 POPE 1 1.237 -10.199 -20.461 1.00 0.00 LB6 ATOM 2181 HN3 POPE 1 1.309 -8.920 -19.313 1.00 0.00 LB6 ATOM 2182 C12 POPE 1 1.355 -11.043 -18.697 1.00 0.00 LB6 ATOM 2183 H12A POPE 1 1.764 -10.769 -17.643 1.00 0.00 LB6 ATOM 2184 H12B POPE 1 1.804 -11.957 -19.004 1.00 0.00 LB6 ATOM 2185 C11 POPE 1 -0.162 -11.330 -18.689 1.00 0.00 LB6 ATOM 2186 H11A POPE 1 -0.535 -11.660 -19.725 1.00 0.00 LB6 ATOM 2187 H11B POPE 1 -0.237 -12.257 -18.046 1.00 0.00 LB6 ATOM 2188 P POPE 1 -2.476 -10.152 -18.324 1.00 0.00 LB6 ATOM 2189 O13 POPE 1 -2.678 -8.807 -18.905 1.00 0.00 LB6 ATOM 2190 O14 POPE 1 -2.985 -11.233 -19.167 1.00 0.00 LB6 ATOM 2191 O11 POPE 1 -3.008 -10.387 -16.862 1.00 0.00 LB6 ATOM 2192 O12 POPE 1 -0.893 -10.262 -18.094 1.00 0.00 LB6 ATOM 2193 C1 POPE 1 -2.617 -9.779 -15.620 1.00 0.00 LB6 ATOM 2194 HA POPE 1 -1.769 -9.081 -15.705 1.00 0.00 LB6 ATOM 2195 HB POPE 1 -3.416 -9.178 -15.226 1.00 0.00 LB6 ATOM 2196 C2 POPE 1 -2.302 -10.858 -14.617 1.00 0.00 LB6 ATOM 2197 HS POPE 1 -3.210 -11.586 -14.759 1.00 0.00 LB6 ATOM 2198 O21 POPE 1 -2.347 -10.412 -13.266 1.00 0.00 LB6 ATOM 2199 C21 POPE 1 -2.698 -11.322 -12.394 1.00 0.00 LB6 ATOM 2200 O22 POPE 1 -2.924 -12.509 -12.650 1.00 0.00 LB6 ATOM 2201 C22 POPE 1 -3.002 -10.661 -11.046 1.00 0.00 LB6 ATOM 2202 H2R POPE 1 -2.414 -9.710 -10.771 1.00 0.00 LB6 ATOM 2203 H2S POPE 1 -4.061 -10.373 -10.879 1.00 0.00 LB6 ATOM 2204 C3 POPE 1 -0.986 -11.614 -14.992 1.00 0.00 LB6 ATOM 2205 HX POPE 1 -1.086 -12.625 -14.598 1.00 0.00 LB6 ATOM 2206 HY POPE 1 -0.977 -11.677 -16.065 1.00 0.00 LB6 ATOM 2207 O31 POPE 1 0.220 -10.981 -14.545 1.00 0.00 LB6 ATOM 2208 C31 POPE 1 1.357 -11.669 -14.929 1.00 0.00 LB6 ATOM 2209 O32 POPE 1 1.329 -12.791 -15.486 1.00 0.00 LB6 ATOM 2210 C32 POPE 1 2.575 -10.872 -14.363 1.00 0.00 LB6 ATOM 2211 H2X POPE 1 2.717 -9.862 -14.796 1.00 0.00 LB6 ATOM 2212 H2Y POPE 1 2.492 -10.734 -13.253 1.00 0.00 LB6 ATOM 2213 C23 POPE 1 -2.720 -11.646 -9.903 1.00 0.00 LB6 ATOM 2214 H3R POPE 1 -3.272 -12.578 -9.972 1.00 0.00 LB6 ATOM 2215 H3S POPE 1 -1.605 -12.004 -10.015 1.00 0.00 LB6 ATOM 2216 C24 POPE 1 -2.751 -10.931 -8.561 1.00 0.00 LB6 ATOM 2217 H4R POPE 1 -2.148 -9.965 -8.761 1.00 0.00 LB6 ATOM 2218 H4S POPE 1 -3.804 -10.724 -8.281 1.00 0.00 LB6 ATOM 2219 C25 POPE 1 -1.978 -11.668 -7.399 1.00 0.00 LB6 ATOM 2220 H5R POPE 1 -2.488 -12.532 -6.998 1.00 0.00 LB6 ATOM 2221 H5S POPE 1 -1.025 -11.993 -7.794 1.00 0.00 LB6 ATOM 2222 C26 POPE 1 -1.546 -10.624 -6.285 1.00 0.00 LB6 ATOM 2223 H6R POPE 1 -0.494 -10.202 -6.538 1.00 0.00 LB6 ATOM 2224 H6S POPE 1 -2.288 -9.762 -6.220 1.00 0.00 LB6 ATOM 2225 C27 POPE 1 -1.526 -11.227 -4.835 1.00 0.00 LB6 ATOM 2226 H7R POPE 1 -2.583 -11.550 -4.596 1.00 0.00 LB6 ATOM 2227 H7S POPE 1 -0.891 -12.203 -4.818 1.00 0.00 LB6 ATOM 2228 C28 POPE 1 -1.061 -10.142 -3.860 1.00 0.00 LB6 ATOM 2229 H8R POPE 1 0.102 -10.243 -3.795 1.00 0.00 LB6 ATOM 2230 H8S POPE 1 -1.478 -9.201 -4.158 1.00 0.00 LB6 ATOM 2231 C29 POPE 1 -1.603 -10.605 -2.507 1.00 0.00 LB6 ATOM 2232 H91 POPE 1 -2.235 -11.513 -2.564 1.00 0.00 LB6 ATOM 2233 C210 POPE 1 -1.571 -9.819 -1.495 1.00 0.00 LB6 ATOM 2234 H101 POPE 1 -2.001 -10.129 -0.507 1.00 0.00 LB6 ATOM 2235 C211 POPE 1 -0.814 -8.496 -1.408 1.00 0.00 LB6 ATOM 2236 H11R POPE 1 -0.463 -8.015 -2.346 1.00 0.00 LB6 ATOM 2237 H11S POPE 1 -1.475 -7.713 -1.066 1.00 0.00 LB6 ATOM 2238 C212 POPE 1 0.442 -8.454 -0.507 1.00 0.00 LB6 ATOM 2239 H12R POPE 1 0.856 -9.436 -0.687 1.00 0.00 LB6 ATOM 2240 H12S POPE 1 1.230 -7.699 -0.731 1.00 0.00 LB6 ATOM 2241 C213 POPE 1 0.065 -8.327 1.002 1.00 0.00 LB6 ATOM 2242 H13R POPE 1 0.860 -7.853 1.630 1.00 0.00 LB6 ATOM 2243 H13S POPE 1 -0.772 -7.621 1.007 1.00 0.00 LB6 ATOM 2244 C214 POPE 1 -0.349 -9.485 1.856 1.00 0.00 LB6 ATOM 2245 H14R POPE 1 -1.063 -10.080 1.285 1.00 0.00 LB6 ATOM 2246 H14S POPE 1 0.443 -10.199 1.881 1.00 0.00 LB6 ATOM 2247 C215 POPE 1 -0.899 -9.042 3.255 1.00 0.00 LB6 ATOM 2248 H15R POPE 1 -0.058 -8.797 3.902 1.00 0.00 LB6 ATOM 2249 H15S POPE 1 -1.539 -8.188 3.187 1.00 0.00 LB6 ATOM 2250 C216 POPE 1 -1.648 -10.135 4.109 1.00 0.00 LB6 ATOM 2251 H16R POPE 1 -2.561 -10.445 3.538 1.00 0.00 LB6 ATOM 2252 H16S POPE 1 -0.939 -10.964 4.227 1.00 0.00 LB6 ATOM 2253 C217 POPE 1 -2.089 -9.781 5.549 1.00 0.00 LB6 ATOM 2254 H17R POPE 1 -1.200 -9.343 6.048 1.00 0.00 LB6 ATOM 2255 H17S POPE 1 -2.987 -9.066 5.473 1.00 0.00 LB6 ATOM 2256 C218 POPE 1 -2.630 -10.976 6.379 1.00 0.00 LB6 ATOM 2257 H18R POPE 1 -3.585 -11.378 6.044 1.00 0.00 LB6 ATOM 2258 H18S POPE 1 -1.897 -11.782 6.435 1.00 0.00 LB6 ATOM 2259 H18T POPE 1 -2.623 -10.696 7.461 1.00 0.00 LB6 ATOM 2260 C33 POPE 1 3.902 -11.588 -14.713 1.00 0.00 LB6 ATOM 2261 H3X POPE 1 3.904 -11.753 -15.765 1.00 0.00 LB6 ATOM 2262 H3Y POPE 1 4.782 -10.800 -14.528 1.00 0.00 LB6 ATOM 2263 C34 POPE 1 4.022 -12.915 -13.907 1.00 0.00 LB6 ATOM 2264 H4X POPE 1 3.142 -13.610 -13.870 1.00 0.00 LB6 ATOM 2265 H4Y POPE 1 4.834 -13.513 -14.396 1.00 0.00 LB6 ATOM 2266 C35 POPE 1 4.427 -12.624 -12.433 1.00 0.00 LB6 ATOM 2267 H5X POPE 1 5.340 -12.006 -12.326 1.00 0.00 LB6 ATOM 2268 H5Y POPE 1 3.631 -12.016 -11.860 1.00 0.00 LB6 ATOM 2269 C36 POPE 1 4.606 -13.872 -11.591 1.00 0.00 LB6 ATOM 2270 H6X POPE 1 3.588 -14.307 -11.356 1.00 0.00 LB6 ATOM 2271 H6Y POPE 1 5.138 -14.556 -12.207 1.00 0.00 LB6 ATOM 2272 C37 POPE 1 5.416 -13.735 -10.176 1.00 0.00 LB6 ATOM 2273 H7X POPE 1 6.374 -13.223 -10.437 1.00 0.00 LB6 ATOM 2274 H7Y POPE 1 4.863 -13.077 -9.507 1.00 0.00 LB6 ATOM 2275 C38 POPE 1 5.738 -15.121 -9.468 1.00 0.00 LB6 ATOM 2276 H8X POPE 1 4.811 -15.589 -9.117 1.00 0.00 LB6 ATOM 2277 H8Y POPE 1 6.316 -15.785 -10.230 1.00 0.00 LB6 ATOM 2278 C39 POPE 1 6.547 -15.005 -8.177 1.00 0.00 LB6 ATOM 2279 H9X POPE 1 7.558 -15.027 -8.443 1.00 0.00 LB6 ATOM 2280 H9Y POPE 1 6.299 -13.982 -7.782 1.00 0.00 LB6 ATOM 2281 C310 POPE 1 6.140 -15.946 -7.080 1.00 0.00 LB6 ATOM 2282 H10X POPE 1 5.007 -15.749 -6.954 1.00 0.00 LB6 ATOM 2283 H10Y POPE 1 6.273 -16.977 -7.391 1.00 0.00 LB6 ATOM 2284 C311 POPE 1 6.895 -15.699 -5.818 1.00 0.00 LB6 ATOM 2285 H11X POPE 1 8.001 -15.766 -6.031 1.00 0.00 LB6 ATOM 2286 H11Y POPE 1 6.835 -14.575 -5.522 1.00 0.00 LB6 ATOM 2287 C312 POPE 1 6.362 -16.574 -4.662 1.00 0.00 LB6 ATOM 2288 H12X POPE 1 5.484 -17.099 -4.942 1.00 0.00 LB6 ATOM 2289 H12Y POPE 1 7.097 -17.389 -4.504 1.00 0.00 LB6 ATOM 2290 C313 POPE 1 6.012 -15.736 -3.449 1.00 0.00 LB6 ATOM 2291 H13X POPE 1 6.870 -15.091 -3.098 1.00 0.00 LB6 ATOM 2292 H13Y POPE 1 5.143 -15.075 -3.544 1.00 0.00 LB6 ATOM 2293 C314 POPE 1 5.785 -16.708 -2.177 1.00 0.00 LB6 ATOM 2294 H14X POPE 1 4.976 -17.433 -2.411 1.00 0.00 LB6 ATOM 2295 H14Y POPE 1 6.662 -17.345 -2.004 1.00 0.00 LB6 ATOM 2296 C315 POPE 1 5.634 -15.944 -0.845 1.00 0.00 LB6 ATOM 2297 H15X POPE 1 6.529 -15.229 -0.727 1.00 0.00 LB6 ATOM 2298 H15Y POPE 1 4.712 -15.304 -0.854 1.00 0.00 LB6 ATOM 2299 C316 POPE 1 5.580 -16.941 0.309 1.00 0.00 LB6 ATOM 2300 H16X POPE 1 6.460 -17.547 0.307 1.00 0.00 LB6 ATOM 2301 H16Y POPE 1 4.641 -17.583 0.338 1.00 0.00 LB6 ATOM 2302 H16Z POPE 1 5.588 -16.385 1.266 1.00 0.00 LB6 ATOM 2303 N POPE 1 9.435 -5.742 -19.585 1.00 0.00 LB7 ATOM 2304 HN1 POPE 1 9.774 -4.807 -19.782 1.00 0.00 LB7 ATOM 2305 HN2 POPE 1 9.796 -6.344 -20.335 1.00 0.00 LB7 ATOM 2306 HN3 POPE 1 8.361 -5.766 -19.619 1.00 0.00 LB7 ATOM 2307 C12 POPE 1 9.895 -6.312 -18.274 1.00 0.00 LB7 ATOM 2308 H12A POPE 1 9.648 -5.590 -17.495 1.00 0.00 LB7 ATOM 2309 H12B POPE 1 10.997 -6.451 -18.394 1.00 0.00 LB7 ATOM 2310 C11 POPE 1 9.323 -7.644 -17.910 1.00 0.00 LB7 ATOM 2311 H11A POPE 1 9.732 -8.411 -18.640 1.00 0.00 LB7 ATOM 2312 H11B POPE 1 9.676 -7.925 -16.845 1.00 0.00 LB7 ATOM 2313 P POPE 1 6.981 -8.768 -17.229 1.00 0.00 LB7 ATOM 2314 O13 POPE 1 5.638 -8.133 -17.215 1.00 0.00 LB7 ATOM 2315 O14 POPE 1 6.853 -10.067 -17.831 1.00 0.00 LB7 ATOM 2316 O11 POPE 1 7.539 -8.943 -15.796 1.00 0.00 LB7 ATOM 2317 O12 POPE 1 7.923 -7.721 -17.999 1.00 0.00 LB7 ATOM 2318 C1 POPE 1 7.282 -8.072 -14.700 1.00 0.00 LB7 ATOM 2319 HA POPE 1 7.886 -7.135 -14.883 1.00 0.00 LB7 ATOM 2320 HB POPE 1 6.164 -7.807 -14.556 1.00 0.00 LB7 ATOM 2321 C2 POPE 1 7.751 -8.784 -13.438 1.00 0.00 LB7 ATOM 2322 HS POPE 1 7.338 -9.842 -13.508 1.00 0.00 LB7 ATOM 2323 O21 POPE 1 7.267 -8.192 -12.252 1.00 0.00 LB7 ATOM 2324 C21 POPE 1 7.114 -9.045 -11.221 1.00 0.00 LB7 ATOM 2325 O22 POPE 1 7.456 -10.213 -11.202 1.00 0.00 LB7 ATOM 2326 C22 POPE 1 6.630 -8.206 -10.001 1.00 0.00 LB7 ATOM 2327 H2R POPE 1 7.231 -7.401 -9.872 1.00 0.00 LB7 ATOM 2328 H2S POPE 1 5.552 -7.862 -10.211 1.00 0.00 LB7 ATOM 2329 C3 POPE 1 9.228 -9.026 -13.411 1.00 0.00 LB7 ATOM 2330 HX POPE 1 9.596 -9.290 -12.435 1.00 0.00 LB7 ATOM 2331 HY POPE 1 9.415 -9.953 -14.070 1.00 0.00 LB7 ATOM 2332 O31 POPE 1 10.000 -7.833 -13.756 1.00 0.00 LB7 ATOM 2333 C31 POPE 1 11.230 -8.223 -14.094 1.00 0.00 LB7 ATOM 2334 O32 POPE 1 11.558 -9.365 -14.336 1.00 0.00 LB7 ATOM 2335 C32 POPE 1 12.128 -6.980 -14.162 1.00 0.00 LB7 ATOM 2336 H2X POPE 1 11.739 -6.271 -15.013 1.00 0.00 LB7 ATOM 2337 H2Y POPE 1 11.956 -6.322 -13.258 1.00 0.00 LB7 ATOM 2338 C23 POPE 1 6.713 -9.063 -8.688 1.00 0.00 LB7 ATOM 2339 H3R POPE 1 6.228 -10.064 -8.865 1.00 0.00 LB7 ATOM 2340 H3S POPE 1 7.721 -9.198 -8.419 1.00 0.00 LB7 ATOM 2341 C24 POPE 1 5.962 -8.444 -7.551 1.00 0.00 LB7 ATOM 2342 H4R POPE 1 6.449 -7.414 -7.409 1.00 0.00 LB7 ATOM 2343 H4S POPE 1 4.915 -8.280 -7.823 1.00 0.00 LB7 ATOM 2344 C25 POPE 1 6.086 -9.327 -6.302 1.00 0.00 LB7 ATOM 2345 H5R POPE 1 5.918 -10.444 -6.526 1.00 0.00 LB7 ATOM 2346 H5S POPE 1 7.206 -9.272 -5.973 1.00 0.00 LB7 ATOM 2347 C26 POPE 1 5.368 -8.726 -5.078 1.00 0.00 LB7 ATOM 2348 H6R POPE 1 4.300 -8.991 -4.951 1.00 0.00 LB7 ATOM 2349 H6S POPE 1 5.902 -9.083 -4.125 1.00 0.00 LB7 ATOM 2350 C27 POPE 1 5.451 -7.194 -5.037 1.00 0.00 LB7 ATOM 2351 H7R POPE 1 6.399 -6.841 -5.320 1.00 0.00 LB7 ATOM 2352 H7S POPE 1 4.715 -6.914 -5.788 1.00 0.00 LB7 ATOM 2353 C28 POPE 1 4.981 -6.508 -3.686 1.00 0.00 LB7 ATOM 2354 H8R POPE 1 4.863 -5.377 -3.857 1.00 0.00 LB7 ATOM 2355 H8S POPE 1 3.961 -6.863 -3.310 1.00 0.00 LB7 ATOM 2356 C29 POPE 1 6.010 -6.787 -2.637 1.00 0.00 LB7 ATOM 2357 H91 POPE 1 7.005 -6.393 -2.791 1.00 0.00 LB7 ATOM 2358 C210 POPE 1 5.879 -7.485 -1.541 1.00 0.00 LB7 ATOM 2359 H101 POPE 1 6.751 -7.630 -0.877 1.00 0.00 LB7 ATOM 2360 C211 POPE 1 4.618 -8.210 -1.137 1.00 0.00 LB7 ATOM 2361 H11R POPE 1 3.839 -8.199 -1.901 1.00 0.00 LB7 ATOM 2362 H11S POPE 1 4.917 -9.266 -0.963 1.00 0.00 LB7 ATOM 2363 C212 POPE 1 4.032 -7.725 0.226 1.00 0.00 LB7 ATOM 2364 H12R POPE 1 4.027 -6.644 0.178 1.00 0.00 LB7 ATOM 2365 H12S POPE 1 2.951 -8.077 0.355 1.00 0.00 LB7 ATOM 2366 C213 POPE 1 4.698 -8.296 1.526 1.00 0.00 LB7 ATOM 2367 H13R POPE 1 4.323 -9.348 1.570 1.00 0.00 LB7 ATOM 2368 H13S POPE 1 5.754 -8.173 1.447 1.00 0.00 LB7 ATOM 2369 C214 POPE 1 4.171 -7.626 2.848 1.00 0.00 LB7 ATOM 2370 H14R POPE 1 4.549 -6.615 2.672 1.00 0.00 LB7 ATOM 2371 H14S POPE 1 3.096 -7.560 2.803 1.00 0.00 LB7 ATOM 2372 C215 POPE 1 4.522 -8.348 4.196 1.00 0.00 LB7 ATOM 2373 H15R POPE 1 3.983 -9.311 4.278 1.00 0.00 LB7 ATOM 2374 H15S POPE 1 5.579 -8.445 4.349 1.00 0.00 LB7 ATOM 2375 C216 POPE 1 4.064 -7.428 5.331 1.00 0.00 LB7 ATOM 2376 H16R POPE 1 4.379 -6.342 5.191 1.00 0.00 LB7 ATOM 2377 H16S POPE 1 2.939 -7.466 5.305 1.00 0.00 LB7 ATOM 2378 C217 POPE 1 4.572 -7.871 6.723 1.00 0.00 LB7 ATOM 2379 H17R POPE 1 4.244 -8.914 6.864 1.00 0.00 LB7 ATOM 2380 H17S POPE 1 5.639 -7.861 6.603 1.00 0.00 LB7 ATOM 2381 C218 POPE 1 4.064 -7.042 7.929 1.00 0.00 LB7 ATOM 2382 H18R POPE 1 4.599 -7.433 8.844 1.00 0.00 LB7 ATOM 2383 H18S POPE 1 4.203 -5.960 7.789 1.00 0.00 LB7 ATOM 2384 H18T POPE 1 2.989 -7.319 7.940 1.00 0.00 LB7 ATOM 2385 C33 POPE 1 13.568 -7.169 -14.203 1.00 0.00 LB7 ATOM 2386 H3X POPE 1 13.813 -7.697 -15.129 1.00 0.00 LB7 ATOM 2387 H3Y POPE 1 14.098 -6.225 -14.254 1.00 0.00 LB7 ATOM 2388 C34 POPE 1 14.161 -7.988 -13.005 1.00 0.00 LB7 ATOM 2389 H4X POPE 1 13.725 -9.041 -12.869 1.00 0.00 LB7 ATOM 2390 H4Y POPE 1 15.294 -8.068 -13.162 1.00 0.00 LB7 ATOM 2391 C35 POPE 1 13.873 -7.283 -11.679 1.00 0.00 LB7 ATOM 2392 H5X POPE 1 14.047 -6.156 -11.667 1.00 0.00 LB7 ATOM 2393 H5Y POPE 1 12.826 -7.432 -11.440 1.00 0.00 LB7 ATOM 2394 C36 POPE 1 14.868 -7.816 -10.572 1.00 0.00 LB7 ATOM 2395 H6X POPE 1 14.862 -8.871 -10.479 1.00 0.00 LB7 ATOM 2396 H6Y POPE 1 15.862 -7.518 -10.882 1.00 0.00 LB7 ATOM 2397 C37 POPE 1 14.551 -7.166 -9.172 1.00 0.00 LB7 ATOM 2398 H7X POPE 1 14.691 -6.129 -9.061 1.00 0.00 LB7 ATOM 2399 H7Y POPE 1 13.414 -7.407 -9.063 1.00 0.00 LB7 ATOM 2400 C38 POPE 1 15.377 -7.747 -8.052 1.00 0.00 LB7 ATOM 2401 H8X POPE 1 15.496 -8.853 -8.139 1.00 0.00 LB7 ATOM 2402 H8Y POPE 1 16.390 -7.367 -8.083 1.00 0.00 LB7 ATOM 2403 C39 POPE 1 14.750 -7.234 -6.756 1.00 0.00 LB7 ATOM 2404 H9X POPE 1 14.894 -6.127 -6.749 1.00 0.00 LB7 ATOM 2405 H9Y POPE 1 13.722 -7.541 -6.727 1.00 0.00 LB7 ATOM 2406 C310 POPE 1 15.591 -7.559 -5.522 1.00 0.00 LB7 ATOM 2407 H10X POPE 1 15.624 -8.651 -5.397 1.00 0.00 LB7 ATOM 2408 H10Y POPE 1 16.662 -7.078 -5.541 1.00 0.00 LB7 ATOM 2409 C311 POPE 1 14.833 -7.052 -4.219 1.00 0.00 LB7 ATOM 2410 H11X POPE 1 14.938 -5.941 -4.275 1.00 0.00 LB7 ATOM 2411 H11Y POPE 1 13.788 -7.382 -4.340 1.00 0.00 LB7 ATOM 2412 C312 POPE 1 15.299 -7.579 -2.851 1.00 0.00 LB7 ATOM 2413 H12X POPE 1 15.568 -8.679 -2.985 1.00 0.00 LB7 ATOM 2414 H12Y POPE 1 16.168 -7.091 -2.590 1.00 0.00 LB7 ATOM 2415 C313 POPE 1 14.270 -7.376 -1.761 1.00 0.00 LB7 ATOM 2416 H13X POPE 1 14.095 -6.334 -1.559 1.00 0.00 LB7 ATOM 2417 H13Y POPE 1 13.352 -8.010 -2.013 1.00 0.00 LB7 ATOM 2418 C314 POPE 1 14.801 -7.976 -0.446 1.00 0.00 LB7 ATOM 2419 H14X POPE 1 15.367 -8.926 -0.650 1.00 0.00 LB7 ATOM 2420 H14Y POPE 1 15.406 -7.231 0.091 1.00 0.00 LB7 ATOM 2421 C315 POPE 1 13.676 -8.323 0.547 1.00 0.00 LB7 ATOM 2422 H15X POPE 1 13.114 -7.384 0.753 1.00 0.00 LB7 ATOM 2423 H15Y POPE 1 12.871 -9.027 0.194 1.00 0.00 LB7 ATOM 2424 C316 POPE 1 14.082 -8.706 1.991 1.00 0.00 LB7 ATOM 2425 H16X POPE 1 13.328 -8.510 2.754 1.00 0.00 LB7 ATOM 2426 H16Y POPE 1 14.904 -8.049 2.217 1.00 0.00 LB7 ATOM 2427 H16Z POPE 1 14.335 -9.819 1.993 1.00 0.00 LB7 ATOM 2428 N POPE 1 7.897 2.230 -18.698 1.00 0.00 LB8 ATOM 2429 HN1 POPE 1 8.056 2.678 -19.635 1.00 0.00 LB8 ATOM 2430 HN2 POPE 1 7.281 1.398 -18.940 1.00 0.00 LB8 ATOM 2431 HN3 POPE 1 7.408 2.938 -18.009 1.00 0.00 LB8 ATOM 2432 C12 POPE 1 9.229 1.703 -18.238 1.00 0.00 LB8 ATOM 2433 H12A POPE 1 9.085 1.423 -17.207 1.00 0.00 LB8 ATOM 2434 H12B POPE 1 9.942 2.566 -18.316 1.00 0.00 LB8 ATOM 2435 C11 POPE 1 9.561 0.308 -18.930 1.00 0.00 LB8 ATOM 2436 H11A POPE 1 9.884 0.559 -20.011 1.00 0.00 LB8 ATOM 2437 H11B POPE 1 10.500 -0.132 -18.403 1.00 0.00 LB8 ATOM 2438 P POPE 1 8.584 -2.164 -18.781 1.00 0.00 LB8 ATOM 2439 O13 POPE 1 7.227 -2.708 -18.507 1.00 0.00 LB8 ATOM 2440 O14 POPE 1 9.325 -2.787 -19.838 1.00 0.00 LB8 ATOM 2441 O11 POPE 1 9.490 -2.164 -17.525 1.00 0.00 LB8 ATOM 2442 O12 POPE 1 8.436 -0.582 -19.015 1.00 0.00 LB8 ATOM 2443 C1 POPE 1 8.755 -2.385 -16.336 1.00 0.00 LB8 ATOM 2444 HA POPE 1 7.865 -1.769 -16.246 1.00 0.00 LB8 ATOM 2445 HB POPE 1 8.441 -3.472 -16.288 1.00 0.00 LB8 ATOM 2446 C2 POPE 1 9.801 -2.090 -15.166 1.00 0.00 LB8 ATOM 2447 HS POPE 1 10.661 -2.781 -15.309 1.00 0.00 LB8 ATOM 2448 O21 POPE 1 9.149 -2.370 -13.977 1.00 0.00 LB8 ATOM 2449 C21 POPE 1 9.723 -3.210 -13.085 1.00 0.00 LB8 ATOM 2450 O22 POPE 1 10.674 -3.942 -13.188 1.00 0.00 LB8 ATOM 2451 C22 POPE 1 9.024 -2.905 -11.742 1.00 0.00 LB8 ATOM 2452 H2R POPE 1 9.276 -1.918 -11.332 1.00 0.00 LB8 ATOM 2453 H2S POPE 1 7.927 -2.913 -11.947 1.00 0.00 LB8 ATOM 2454 C3 POPE 1 10.215 -0.587 -15.022 1.00 0.00 LB8 ATOM 2455 HX POPE 1 10.990 -0.475 -14.175 1.00 0.00 LB8 ATOM 2456 HY POPE 1 10.817 -0.345 -15.910 1.00 0.00 LB8 ATOM 2457 O31 POPE 1 9.126 0.310 -14.780 1.00 0.00 LB8 ATOM 2458 C31 POPE 1 8.835 0.641 -13.488 1.00 0.00 LB8 ATOM 2459 O32 POPE 1 9.449 0.263 -12.538 1.00 0.00 LB8 ATOM 2460 C32 POPE 1 7.565 1.481 -13.369 1.00 0.00 LB8 ATOM 2461 H2X POPE 1 7.085 1.431 -14.334 1.00 0.00 LB8 ATOM 2462 H2Y POPE 1 6.798 1.087 -12.641 1.00 0.00 LB8 ATOM 2463 C23 POPE 1 9.371 -4.027 -10.763 1.00 0.00 LB8 ATOM 2464 H3R POPE 1 9.151 -5.041 -11.217 1.00 0.00 LB8 ATOM 2465 H3S POPE 1 10.451 -4.085 -10.578 1.00 0.00 LB8 ATOM 2466 C24 POPE 1 8.583 -3.893 -9.436 1.00 0.00 LB8 ATOM 2467 H4R POPE 1 8.807 -2.889 -8.977 1.00 0.00 LB8 ATOM 2468 H4S POPE 1 7.520 -3.912 -9.721 1.00 0.00 LB8 ATOM 2469 C25 POPE 1 8.781 -5.050 -8.404 1.00 0.00 LB8 ATOM 2470 H5R POPE 1 8.572 -5.959 -9.008 1.00 0.00 LB8 ATOM 2471 H5S POPE 1 9.833 -5.057 -8.071 1.00 0.00 LB8 ATOM 2472 C26 POPE 1 7.854 -4.946 -7.141 1.00 0.00 LB8 ATOM 2473 H6R POPE 1 6.811 -4.882 -7.442 1.00 0.00 LB8 ATOM 2474 H6S POPE 1 7.897 -5.869 -6.526 1.00 0.00 LB8 ATOM 2475 C27 POPE 1 8.240 -3.791 -6.184 1.00 0.00 LB8 ATOM 2476 H7R POPE 1 9.305 -3.958 -5.776 1.00 0.00 LB8 ATOM 2477 H7S POPE 1 8.178 -2.916 -6.872 1.00 0.00 LB8 ATOM 2478 C28 POPE 1 7.330 -3.469 -4.994 1.00 0.00 LB8 ATOM 2479 H8R POPE 1 6.319 -3.295 -5.355 1.00 0.00 LB8 ATOM 2480 H8S POPE 1 7.271 -4.438 -4.416 1.00 0.00 LB8 ATOM 2481 C29 POPE 1 7.810 -2.318 -4.092 1.00 0.00 LB8 ATOM 2482 H91 POPE 1 7.874 -1.285 -4.567 1.00 0.00 LB8 ATOM 2483 C210 POPE 1 8.261 -2.352 -2.842 1.00 0.00 LB8 ATOM 2484 H101 POPE 1 8.535 -1.450 -2.275 1.00 0.00 LB8 ATOM 2485 C211 POPE 1 8.449 -3.693 -2.133 1.00 0.00 LB8 ATOM 2486 H11R POPE 1 8.311 -4.589 -2.762 1.00 0.00 LB8 ATOM 2487 H11S POPE 1 9.576 -3.702 -1.924 1.00 0.00 LB8 ATOM 2488 C212 POPE 1 7.690 -3.860 -0.773 1.00 0.00 LB8 ATOM 2489 H12R POPE 1 6.607 -3.595 -0.897 1.00 0.00 LB8 ATOM 2490 H12S POPE 1 7.760 -4.922 -0.400 1.00 0.00 LB8 ATOM 2491 C213 POPE 1 8.222 -2.984 0.330 1.00 0.00 LB8 ATOM 2492 H13R POPE 1 9.319 -3.051 0.287 1.00 0.00 LB8 ATOM 2493 H13S POPE 1 8.046 -1.897 0.225 1.00 0.00 LB8 ATOM 2494 C214 POPE 1 7.879 -3.690 1.744 1.00 0.00 LB8 ATOM 2495 H14R POPE 1 6.787 -3.696 1.841 1.00 0.00 LB8 ATOM 2496 H14S POPE 1 8.303 -4.749 1.775 1.00 0.00 LB8 ATOM 2497 C215 POPE 1 8.391 -2.920 2.974 1.00 0.00 LB8 ATOM 2498 H15R POPE 1 9.495 -2.854 2.940 1.00 0.00 LB8 ATOM 2499 H15S POPE 1 7.979 -1.830 3.014 1.00 0.00 LB8 ATOM 2500 C216 POPE 1 7.985 -3.403 4.362 1.00 0.00 LB8 ATOM 2501 H16R POPE 1 6.882 -3.389 4.588 1.00 0.00 LB8 ATOM 2502 H16S POPE 1 8.238 -4.500 4.274 1.00 0.00 LB8 ATOM 2503 C217 POPE 1 8.690 -2.826 5.584 1.00 0.00 LB8 ATOM 2504 H17R POPE 1 9.742 -3.171 5.484 1.00 0.00 LB8 ATOM 2505 H17S POPE 1 8.646 -1.737 5.584 1.00 0.00 LB8 ATOM 2506 C218 POPE 1 8.205 -3.332 6.929 1.00 0.00 LB8 ATOM 2507 H18R POPE 1 8.899 -2.912 7.730 1.00 0.00 LB8 ATOM 2508 H18S POPE 1 7.129 -2.948 7.100 1.00 0.00 LB8 ATOM 2509 H18T POPE 1 8.166 -4.511 7.001 1.00 0.00 LB8 ATOM 2510 C33 POPE 1 7.893 2.915 -12.956 1.00 0.00 LB8 ATOM 2511 H3X POPE 1 6.951 3.548 -13.218 1.00 0.00 LB8 ATOM 2512 H3Y POPE 1 8.063 3.022 -11.862 1.00 0.00 LB8 ATOM 2513 C34 POPE 1 9.055 3.563 -13.722 1.00 0.00 LB8 ATOM 2514 H4X POPE 1 9.654 2.808 -14.276 1.00 0.00 LB8 ATOM 2515 H4Y POPE 1 8.708 4.214 -14.579 1.00 0.00 LB8 ATOM 2516 C35 POPE 1 9.974 4.454 -12.790 1.00 0.00 LB8 ATOM 2517 H5X POPE 1 10.583 5.190 -13.372 1.00 0.00 LB8 ATOM 2518 H5Y POPE 1 9.331 5.026 -12.132 1.00 0.00 LB8 ATOM 2519 C36 POPE 1 11.033 3.623 -12.087 1.00 0.00 LB8 ATOM 2520 H6X POPE 1 10.477 2.757 -11.550 1.00 0.00 LB8 ATOM 2521 H6Y POPE 1 11.720 3.314 -12.868 1.00 0.00 LB8 ATOM 2522 C37 POPE 1 11.692 4.551 -11.130 1.00 0.00 LB8 ATOM 2523 H7X POPE 1 12.483 5.149 -11.667 1.00 0.00 LB8 ATOM 2524 H7Y POPE 1 11.059 5.289 -10.781 1.00 0.00 LB8 ATOM 2525 C38 POPE 1 12.448 3.844 -9.956 1.00 0.00 LB8 ATOM 2526 H8X POPE 1 11.636 3.280 -9.490 1.00 0.00 LB8 ATOM 2527 H8Y POPE 1 13.123 3.120 -10.298 1.00 0.00 LB8 ATOM 2528 C39 POPE 1 13.167 4.903 -9.088 1.00 0.00 LB8 ATOM 2529 H9X POPE 1 13.923 5.334 -9.744 1.00 0.00 LB8 ATOM 2530 H9Y POPE 1 12.491 5.759 -8.904 1.00 0.00 LB8 ATOM 2531 C310 POPE 1 13.789 4.362 -7.786 1.00 0.00 LB8 ATOM 2532 H10X POPE 1 14.753 4.055 -7.993 1.00 0.00 LB8 ATOM 2533 H10Y POPE 1 14.064 5.328 -7.179 1.00 0.00 LB8 ATOM 2534 C311 POPE 1 12.842 3.446 -7.010 1.00 0.00 LB8 ATOM 2535 H11X POPE 1 11.818 3.682 -7.399 1.00 0.00 LB8 ATOM 2536 H11Y POPE 1 13.102 2.458 -7.320 1.00 0.00 LB8 ATOM 2537 C312 POPE 1 13.177 3.703 -5.517 1.00 0.00 LB8 ATOM 2538 H12X POPE 1 13.018 4.762 -5.333 1.00 0.00 LB8 ATOM 2539 H12Y POPE 1 12.489 3.231 -4.877 1.00 0.00 LB8 ATOM 2540 C313 POPE 1 14.691 3.333 -5.126 1.00 0.00 LB8 ATOM 2541 H13X POPE 1 15.005 2.348 -5.422 1.00 0.00 LB8 ATOM 2542 H13Y POPE 1 15.453 3.859 -5.692 1.00 0.00 LB8 ATOM 2543 C314 POPE 1 14.961 3.568 -3.587 1.00 0.00 LB8 ATOM 2544 H14X POPE 1 16.031 3.205 -3.430 1.00 0.00 LB8 ATOM 2545 H14Y POPE 1 14.906 4.662 -3.371 1.00 0.00 LB8 ATOM 2546 C315 POPE 1 14.191 2.661 -2.698 1.00 0.00 LB8 ATOM 2547 H15X POPE 1 13.092 2.664 -2.916 1.00 0.00 LB8 ATOM 2548 H15Y POPE 1 14.493 1.680 -3.179 1.00 0.00 LB8 ATOM 2549 C316 POPE 1 14.555 2.563 -1.204 1.00 0.00 LB8 ATOM 2550 H16X POPE 1 14.562 3.570 -0.740 1.00 0.00 LB8 ATOM 2551 H16Y POPE 1 15.612 2.264 -1.171 1.00 0.00 LB8 ATOM 2552 H16Z POPE 1 13.984 1.877 -0.649 1.00 0.00 LB8 ATOM 2553 OH2 TIP3 21 -13.083 -1.687 -21.654 1.00 0.00 WT1 ATOM 2554 H1 TIP3 21 -12.243 -1.513 -22.207 1.00 0.00 WT1 ATOM 2555 H2 TIP3 21 -12.783 -2.281 -20.879 1.00 0.00 WT1 ATOM 2556 OH2 TIP3 41 -0.010 15.979 21.211 1.00 0.00 WT1 ATOM 2557 H1 TIP3 41 -0.400 15.947 20.347 1.00 0.00 WT1 ATOM 2558 H2 TIP3 41 -0.546 16.745 21.625 1.00 0.00 WT1 ATOM 2559 OH2 TIP3 47 1.485 -3.756 -29.000 1.00 0.00 WT1 ATOM 2560 H1 TIP3 47 1.493 -3.950 -29.957 1.00 0.00 WT1 ATOM 2561 H2 TIP3 47 1.259 -4.592 -28.626 1.00 0.00 WT1 ATOM 2562 OH2 TIP3 64 -9.371 -7.946 -29.034 1.00 0.00 WT1 ATOM 2563 H1 TIP3 64 -10.063 -8.508 -28.640 1.00 0.00 WT1 ATOM 2564 H2 TIP3 64 -9.839 -7.412 -29.678 1.00 0.00 WT1 ATOM 2565 OH2 TIP3 81 -9.468 3.434 20.980 1.00 0.00 WT1 ATOM 2566 H1 TIP3 81 -9.184 4.296 21.318 1.00 0.00 WT1 ATOM 2567 H2 TIP3 81 -9.794 3.649 20.085 1.00 0.00 WT1 ATOM 2568 OH2 TIP3 86 8.979 -11.572 -22.701 1.00 0.00 WT1 ATOM 2569 H1 TIP3 86 8.980 -12.010 -21.791 1.00 0.00 WT1 ATOM 2570 H2 TIP3 86 9.110 -10.588 -22.482 1.00 0.00 WT1 ATOM 2571 OH2 TIP3 88 -12.826 2.739 -24.799 1.00 0.00 WT1 ATOM 2572 H1 TIP3 88 -11.872 2.730 -24.631 1.00 0.00 WT1 ATOM 2573 H2 TIP3 88 -12.924 1.811 -25.137 1.00 0.00 WT1 ATOM 2574 OH2 TIP3 90 -8.065 3.218 -22.297 1.00 0.00 WT1 ATOM 2575 H1 TIP3 90 -8.789 2.765 -21.819 1.00 0.00 WT1 ATOM 2576 H2 TIP3 90 -7.390 3.087 -21.723 1.00 0.00 WT1 ATOM 2577 OH2 TIP3 104 -11.772 8.261 17.851 1.00 0.00 WT1 ATOM 2578 H1 TIP3 104 -11.731 8.988 17.166 1.00 0.00 WT1 ATOM 2579 H2 TIP3 104 -11.371 7.498 17.470 1.00 0.00 WT1 ATOM 2580 OH2 TIP3 105 -11.327 -3.878 27.504 1.00 0.00 WT1 ATOM 2581 H1 TIP3 105 -10.532 -3.542 27.208 1.00 0.00 WT1 ATOM 2582 H2 TIP3 105 -11.963 -3.639 26.808 1.00 0.00 WT1 ATOM 2583 OH2 TIP3 108 -14.804 4.834 -24.598 1.00 0.00 WT1 ATOM 2584 H1 TIP3 108 -14.383 3.942 -24.595 1.00 0.00 WT1 ATOM 2585 H2 TIP3 108 -14.018 5.490 -24.452 1.00 0.00 WT1 ATOM 2586 OH2 TIP3 112 -10.833 6.088 -20.481 1.00 0.00 WT1 ATOM 2587 H1 TIP3 112 -11.193 5.284 -20.929 1.00 0.00 WT1 ATOM 2588 H2 TIP3 112 -11.390 6.284 -19.730 1.00 0.00 WT1 ATOM 2589 OH2 TIP3 113 -14.902 6.319 -17.727 1.00 0.00 WT1 ATOM 2590 H1 TIP3 113 -15.110 6.019 -18.625 1.00 0.00 WT1 ATOM 2591 H2 TIP3 113 -13.953 5.970 -17.709 1.00 0.00 WT1 ATOM 2592 OH2 TIP3 126 -7.932 -4.949 26.646 1.00 0.00 WT1 ATOM 2593 H1 TIP3 126 -8.496 -4.198 26.394 1.00 0.00 WT1 ATOM 2594 H2 TIP3 126 -7.948 -5.535 25.822 1.00 0.00 WT1 ATOM 2595 OH2 TIP3 127 -5.460 0.277 20.268 1.00 0.00 WT1 ATOM 2596 H1 TIP3 127 -5.085 1.095 19.948 1.00 0.00 WT1 ATOM 2597 H2 TIP3 127 -6.301 0.517 20.713 1.00 0.00 WT1 ATOM 2598 OH2 TIP3 141 -12.088 -6.600 25.857 1.00 0.00 WT1 ATOM 2599 H1 TIP3 141 -11.313 -7.142 25.801 1.00 0.00 WT1 ATOM 2600 H2 TIP3 141 -12.039 -6.358 26.824 1.00 0.00 WT1 ATOM 2601 OH2 TIP3 147 -7.621 1.267 21.408 1.00 0.00 WT1 ATOM 2602 H1 TIP3 147 -8.300 1.962 21.307 1.00 0.00 WT1 ATOM 2603 H2 TIP3 147 -7.374 1.408 22.364 1.00 0.00 WT1 ATOM 2604 OH2 TIP3 150 -11.136 -2.269 29.796 1.00 0.00 WT1 ATOM 2605 H1 TIP3 150 -10.320 -1.903 29.424 1.00 0.00 WT1 ATOM 2606 H2 TIP3 150 -11.410 -2.756 29.030 1.00 0.00 WT1 ATOM 2607 OH2 TIP3 152 -11.922 -7.021 -27.181 1.00 0.00 WT1 ATOM 2608 H1 TIP3 152 -12.738 -6.807 -26.727 1.00 0.00 WT1 ATOM 2609 H2 TIP3 152 -11.499 -7.710 -26.664 1.00 0.00 WT1 ATOM 2610 OH2 TIP3 169 -12.054 7.746 21.138 1.00 0.00 WT1 ATOM 2611 H1 TIP3 169 -11.574 8.480 21.596 1.00 0.00 WT1 ATOM 2612 H2 TIP3 169 -11.932 7.927 20.223 1.00 0.00 WT1 ATOM 2613 OH2 TIP3 172 -0.970 12.008 24.575 1.00 0.00 WT1 ATOM 2614 H1 TIP3 172 -0.576 12.342 25.383 1.00 0.00 WT1 ATOM 2615 H2 TIP3 172 -0.493 12.488 23.869 1.00 0.00 WT1 ATOM 2616 OH2 TIP3 200 -9.736 -3.700 21.962 1.00 0.00 WT1 ATOM 2617 H1 TIP3 200 -9.791 -3.552 20.996 1.00 0.00 WT1 ATOM 2618 H2 TIP3 200 -8.863 -3.663 22.176 1.00 0.00 WT1 ATOM 2619 OH2 TIP3 210 -2.501 9.091 24.674 1.00 0.00 WT1 ATOM 2620 H1 TIP3 210 -2.845 9.465 25.497 1.00 0.00 WT1 ATOM 2621 H2 TIP3 210 -2.344 9.871 24.103 1.00 0.00 WT1 ATOM 2622 OH2 TIP3 212 -10.018 10.642 -18.008 1.00 0.00 WT1 ATOM 2623 H1 TIP3 212 -9.413 11.410 -17.912 1.00 0.00 WT1 ATOM 2624 H2 TIP3 212 -10.692 10.722 -17.292 1.00 0.00 WT1 ATOM 2625 OH2 TIP3 239 -7.133 -1.893 -17.525 1.00 0.00 WT1 ATOM 2626 H1 TIP3 239 -7.038 -2.885 -17.681 1.00 0.00 WT1 ATOM 2627 H2 TIP3 239 -7.913 -1.706 -18.004 1.00 0.00 WT1 ATOM 2628 OH2 TIP3 379 -11.942 -0.319 21.456 1.00 0.00 WT1 ATOM 2629 H1 TIP3 379 -12.883 0.082 21.551 1.00 0.00 WT1 ATOM 2630 H2 TIP3 379 -11.399 0.364 21.890 1.00 0.00 WT1 ATOM 2631 OH2 TIP3 443 -8.134 -9.671 -22.212 1.00 0.00 WT1 ATOM 2632 H1 TIP3 443 -8.076 -10.526 -21.755 1.00 0.00 WT1 ATOM 2633 H2 TIP3 443 -9.103 -9.549 -22.334 1.00 0.00 WT1 ATOM 2634 OH2 TIP3 463 -12.728 -2.874 25.150 1.00 0.00 WT1 ATOM 2635 H1 TIP3 463 -12.657 -3.169 24.222 1.00 0.00 WT1 ATOM 2636 H2 TIP3 463 -13.279 -2.069 25.076 1.00 0.00 WT1 ATOM 2637 OH2 TIP3 466 -10.597 -8.634 -25.338 1.00 0.00 WT1 ATOM 2638 H1 TIP3 466 -10.012 -9.134 -25.973 1.00 0.00 WT1 ATOM 2639 H2 TIP3 466 -10.212 -9.020 -24.494 1.00 0.00 WT1 ATOM 2640 OH2 TIP3 469 -10.978 -6.100 -20.999 1.00 0.00 WT1 ATOM 2641 H1 TIP3 469 -10.809 -5.553 -21.809 1.00 0.00 WT1 ATOM 2642 H2 TIP3 469 -10.096 -5.984 -20.482 1.00 0.00 WT1 ATOM 2643 OH2 TIP3 487 0.043 -3.493 17.894 1.00 0.00 WT1 ATOM 2644 H1 TIP3 487 0.717 -3.741 17.296 1.00 0.00 WT1 ATOM 2645 H2 TIP3 487 -0.711 -3.255 17.268 1.00 0.00 WT1 ATOM 2646 OH2 TIP3 497 0.660 -0.235 16.848 1.00 0.00 WT1 ATOM 2647 H1 TIP3 497 -0.168 0.185 17.149 1.00 0.00 WT1 ATOM 2648 H2 TIP3 497 1.317 0.232 17.319 1.00 0.00 WT1 ATOM 2649 OH2 TIP3 508 12.902 -4.413 -27.180 1.00 0.00 WT1 ATOM 2650 H1 TIP3 508 12.754 -5.265 -26.743 1.00 0.00 WT1 ATOM 2651 H2 TIP3 508 13.771 -4.487 -27.647 1.00 0.00 WT1 ATOM 2652 OH2 TIP3 512 2.677 -2.841 -26.741 1.00 0.00 WT1 ATOM 2653 H1 TIP3 512 2.474 -3.176 -27.618 1.00 0.00 WT1 ATOM 2654 H2 TIP3 512 1.990 -2.119 -26.678 1.00 0.00 WT1 ATOM 2655 OH2 TIP3 523 -7.104 1.030 23.848 1.00 0.00 WT1 ATOM 2656 H1 TIP3 523 -7.293 0.183 24.242 1.00 0.00 WT1 ATOM 2657 H2 TIP3 523 -6.170 1.050 23.593 1.00 0.00 WT1 ATOM 2658 OH2 TIP3 524 -1.448 1.064 24.544 1.00 0.00 WT1 ATOM 2659 H1 TIP3 524 -2.360 0.770 24.726 1.00 0.00 WT1 ATOM 2660 H2 TIP3 524 -1.418 1.708 25.266 1.00 0.00 WT1 ATOM 2661 OH2 TIP3 527 -9.944 -8.056 26.383 1.00 0.00 WT1 ATOM 2662 H1 TIP3 527 -9.769 -8.792 26.978 1.00 0.00 WT1 ATOM 2663 H2 TIP3 527 -10.095 -8.406 25.454 1.00 0.00 WT1 ATOM 2664 OH2 TIP3 529 -8.539 9.523 -28.852 1.00 0.00 WT1 ATOM 2665 H1 TIP3 529 -7.797 10.084 -28.730 1.00 0.00 WT1 ATOM 2666 H2 TIP3 529 -8.943 9.712 -28.049 1.00 0.00 WT1 ATOM 2667 OH2 TIP3 535 2.243 -1.551 -19.000 1.00 0.00 WT1 ATOM 2668 H1 TIP3 535 1.982 -1.058 -19.753 1.00 0.00 WT1 ATOM 2669 H2 TIP3 535 3.181 -1.700 -19.315 1.00 0.00 WT1 ATOM 2670 OH2 TIP3 543 -14.186 -6.938 -25.785 1.00 0.00 WT1 ATOM 2671 H1 TIP3 543 -14.056 -6.997 -24.819 1.00 0.00 WT1 ATOM 2672 H2 TIP3 543 -15.098 -6.789 -25.830 1.00 0.00 WT1 ATOM 2673 OH2 TIP3 551 14.227 6.148 -20.326 1.00 0.00 WT1 ATOM 2674 H1 TIP3 551 13.647 5.589 -20.932 1.00 0.00 WT1 ATOM 2675 H2 TIP3 551 14.232 6.999 -20.720 1.00 0.00 WT1 ATOM 2676 OH2 TIP3 554 14.945 -4.997 -21.310 1.00 0.00 WT1 ATOM 2677 H1 TIP3 554 15.199 -5.864 -20.897 1.00 0.00 WT1 ATOM 2678 H2 TIP3 554 14.280 -4.596 -20.711 1.00 0.00 WT1 ATOM 2679 OH2 TIP3 571 -14.159 -8.351 23.727 1.00 0.00 WT1 ATOM 2680 H1 TIP3 571 -13.730 -7.468 23.526 1.00 0.00 WT1 ATOM 2681 H2 TIP3 571 -15.094 -7.946 23.893 1.00 0.00 WT1 ATOM 2682 OH2 TIP3 590 8.258 10.780 20.011 1.00 0.00 WT1 ATOM 2683 H1 TIP3 590 7.470 10.391 19.650 1.00 0.00 WT1 ATOM 2684 H2 TIP3 590 8.992 10.251 19.625 1.00 0.00 WT1 ATOM 2685 OH2 TIP3 603 -2.258 7.699 22.059 1.00 0.00 WT1 ATOM 2686 H1 TIP3 603 -1.937 7.426 22.928 1.00 0.00 WT1 ATOM 2687 H2 TIP3 603 -2.147 8.692 21.994 1.00 0.00 WT1 ATOM 2688 OH2 TIP3 604 -4.573 1.132 22.933 1.00 0.00 WT1 ATOM 2689 H1 TIP3 604 -3.969 1.842 22.695 1.00 0.00 WT1 ATOM 2690 H2 TIP3 604 -4.150 0.368 22.476 1.00 0.00 WT1 ATOM 2691 OH2 TIP3 609 -8.307 5.697 27.807 1.00 0.00 WT1 ATOM 2692 H1 TIP3 609 -8.053 6.299 28.510 1.00 0.00 WT1 ATOM 2693 H2 TIP3 609 -9.208 5.514 28.022 1.00 0.00 WT1 ATOM 2694 OH2 TIP3 630 -8.383 10.723 21.052 1.00 0.00 WT1 ATOM 2695 H1 TIP3 630 -8.573 11.593 21.380 1.00 0.00 WT1 ATOM 2696 H2 TIP3 630 -7.447 10.728 20.763 1.00 0.00 WT1 ATOM 2697 OH2 TIP3 632 -12.098 5.713 -27.484 1.00 0.00 WT1 ATOM 2698 H1 TIP3 632 -11.244 6.197 -27.487 1.00 0.00 WT1 ATOM 2699 H2 TIP3 632 -12.564 6.080 -28.224 1.00 0.00 WT1 ATOM 2700 OH2 TIP3 634 -7.236 -6.003 -25.721 1.00 0.00 WT1 ATOM 2701 H1 TIP3 634 -7.381 -6.628 -26.501 1.00 0.00 WT1 ATOM 2702 H2 TIP3 634 -6.366 -5.645 -25.920 1.00 0.00 WT1 ATOM 2703 OH2 TIP3 640 2.372 3.941 -16.503 1.00 0.00 WT1 ATOM 2704 H1 TIP3 640 2.983 3.390 -17.087 1.00 0.00 WT1 ATOM 2705 H2 TIP3 640 3.014 4.686 -16.264 1.00 0.00 WT1 ATOM 2706 OH2 TIP3 651 -2.659 8.028 28.237 1.00 0.00 WT1 ATOM 2707 H1 TIP3 651 -2.122 8.684 28.695 1.00 0.00 WT1 ATOM 2708 H2 TIP3 651 -2.924 8.533 27.438 1.00 0.00 WT1 ATOM 2709 OH2 TIP3 659 -2.263 -2.604 -14.671 1.00 0.00 WT1 ATOM 2710 H1 TIP3 659 -2.029 -1.645 -14.648 1.00 0.00 WT1 ATOM 2711 H2 TIP3 659 -1.389 -2.967 -14.802 1.00 0.00 WT1 ATOM 2712 OH2 TIP3 668 11.576 4.573 18.640 1.00 0.00 WT1 ATOM 2713 H1 TIP3 668 11.037 3.917 18.211 1.00 0.00 WT1 ATOM 2714 H2 TIP3 668 12.523 4.296 18.516 1.00 0.00 WT1 ATOM 2715 OH2 TIP3 676 6.206 10.745 -21.168 1.00 0.00 WT1 ATOM 2716 H1 TIP3 676 6.298 11.488 -21.758 1.00 0.00 WT1 ATOM 2717 H2 TIP3 676 7.120 10.350 -21.227 1.00 0.00 WT1 ATOM 2718 OH2 TIP3 855 -10.773 -0.665 24.759 1.00 0.00 WT1 ATOM 2719 H1 TIP3 855 -10.631 -0.759 23.799 1.00 0.00 WT1 ATOM 2720 H2 TIP3 855 -11.737 -0.694 24.888 1.00 0.00 WT1 ATOM 2721 OH2 TIP3 867 -3.810 -8.646 -24.496 1.00 0.00 WT1 ATOM 2722 H1 TIP3 867 -4.400 -8.046 -24.043 1.00 0.00 WT1 ATOM 2723 H2 TIP3 867 -4.296 -9.508 -24.537 1.00 0.00 WT1 ATOM 2724 OH2 TIP3 886 -5.837 -4.680 19.620 1.00 0.00 WT1 ATOM 2725 H1 TIP3 886 -5.201 -5.366 19.194 1.00 0.00 WT1 ATOM 2726 H2 TIP3 886 -6.561 -4.591 18.998 1.00 0.00 WT1 ATOM 2727 OH2 TIP3 891 -10.580 -0.437 -22.366 1.00 0.00 WT1 ATOM 2728 H1 TIP3 891 -10.030 -1.229 -22.592 1.00 0.00 WT1 ATOM 2729 H2 TIP3 891 -10.207 0.207 -22.993 1.00 0.00 WT1 ATOM 2730 OH2 TIP3 907 -1.431 -15.004 -28.995 1.00 0.00 WT1 ATOM 2731 H1 TIP3 907 -1.036 -14.273 -29.501 1.00 0.00 WT1 ATOM 2732 H2 TIP3 907 -2.328 -15.028 -29.295 1.00 0.00 WT1 ATOM 2733 OH2 TIP3 927 -6.981 -7.836 -27.780 1.00 0.00 WT1 ATOM 2734 H1 TIP3 927 -7.859 -7.985 -28.195 1.00 0.00 WT1 ATOM 2735 H2 TIP3 927 -6.603 -8.726 -27.688 1.00 0.00 WT1 ATOM 2736 OH2 TIP3 950 -1.618 0.863 -15.841 1.00 0.00 WT1 ATOM 2737 H1 TIP3 950 -0.794 1.258 -15.536 1.00 0.00 WT1 ATOM 2738 H2 TIP3 950 -2.157 0.863 -15.062 1.00 0.00 WT1 ATOM 2739 OH2 TIP3 951 -6.889 -3.799 -24.023 1.00 0.00 WT1 ATOM 2740 H1 TIP3 951 -6.032 -3.527 -24.417 1.00 0.00 WT1 ATOM 2741 H2 TIP3 951 -7.216 -4.411 -24.698 1.00 0.00 WT1 ATOM 2742 OH2 TIP3 952 -5.321 -1.821 -24.578 1.00 0.00 WT1 ATOM 2743 H1 TIP3 952 -6.143 -1.352 -24.632 1.00 0.00 WT1 ATOM 2744 H2 TIP3 952 -4.706 -1.089 -24.320 1.00 0.00 WT1 ATOM 2745 OH2 TIP3 970 -5.098 9.987 29.179 1.00 0.00 WT1 ATOM 2746 H1 TIP3 970 -4.862 9.178 29.684 1.00 0.00 WT1 ATOM 2747 H2 TIP3 970 -5.652 10.506 29.799 1.00 0.00 WT1 ATOM 2748 OH2 TIP3 972 0.765 -8.171 -21.628 1.00 0.00 WT1 ATOM 2749 H1 TIP3 972 1.716 -8.141 -21.821 1.00 0.00 WT1 ATOM 2750 H2 TIP3 972 0.503 -8.488 -22.449 1.00 0.00 WT1 ATOM 2751 OH2 TIP3 992 0.307 -15.452 -18.268 1.00 0.00 WT1 ATOM 2752 H1 TIP3 992 -0.089 -14.551 -18.367 1.00 0.00 WT1 ATOM 2753 H2 TIP3 992 1.100 -15.252 -17.771 1.00 0.00 WT1 ATOM 2754 OH2 TIP3 1006 -8.068 3.727 24.226 1.00 0.00 WT1 ATOM 2755 H1 TIP3 1006 -7.901 2.831 23.945 1.00 0.00 WT1 ATOM 2756 H2 TIP3 1006 -9.045 3.844 24.388 1.00 0.00 WT1 ATOM 2757 OH2 TIP3 1008 1.011 -3.955 21.387 1.00 0.00 WT1 ATOM 2758 H1 TIP3 1008 0.068 -3.838 21.140 1.00 0.00 WT1 ATOM 2759 H2 TIP3 1008 1.011 -3.531 22.326 1.00 0.00 WT1 ATOM 2760 OH2 TIP3 1009 -0.629 0.465 21.860 1.00 0.00 WT1 ATOM 2761 H1 TIP3 1009 -0.674 0.615 22.797 1.00 0.00 WT1 ATOM 2762 H2 TIP3 1009 -1.305 -0.245 21.685 1.00 0.00 WT1 ATOM 2763 OH2 TIP3 1011 -13.618 -1.176 -28.479 1.00 0.00 WT1 ATOM 2764 H1 TIP3 1011 -13.814 -2.133 -28.561 1.00 0.00 WT1 ATOM 2765 H2 TIP3 1011 -12.587 -1.280 -28.459 1.00 0.00 WT1 ATOM 2766 OH2 TIP3 1026 -3.276 3.802 19.484 1.00 0.00 WT1 ATOM 2767 H1 TIP3 1026 -3.469 4.744 19.475 1.00 0.00 WT1 ATOM 2768 H2 TIP3 1026 -2.710 3.748 18.737 1.00 0.00 WT1 ATOM 2769 OH2 TIP3 1030 -1.781 3.334 21.723 1.00 0.00 WT1 ATOM 2770 H1 TIP3 1030 -2.309 3.628 20.951 1.00 0.00 WT1 ATOM 2771 H2 TIP3 1030 -1.141 2.606 21.350 1.00 0.00 WT1 ATOM 2772 OH2 TIP3 1040 -12.278 8.574 -18.450 1.00 0.00 WT1 ATOM 2773 H1 TIP3 1040 -12.476 7.811 -17.885 1.00 0.00 WT1 ATOM 2774 H2 TIP3 1040 -12.197 9.355 -17.887 1.00 0.00 WT1 ATOM 2775 OH2 TIP3 1047 -12.192 2.184 25.916 1.00 0.00 WT1 ATOM 2776 H1 TIP3 1047 -12.635 1.250 25.756 1.00 0.00 WT1 ATOM 2777 H2 TIP3 1047 -12.817 2.635 26.442 1.00 0.00 WT1 ATOM 2778 OH2 TIP3 1050 11.351 7.826 26.044 1.00 0.00 WT1 ATOM 2779 H1 TIP3 1050 10.500 8.220 26.012 1.00 0.00 WT1 ATOM 2780 H2 TIP3 1050 11.557 7.676 25.112 1.00 0.00 WT1 ATOM 2781 OH2 TIP3 1058 1.879 -13.695 -21.450 1.00 0.00 WT1 ATOM 2782 H1 TIP3 1058 1.861 -14.519 -21.041 1.00 0.00 WT1 ATOM 2783 H2 TIP3 1058 2.801 -13.621 -21.726 1.00 0.00 WT1 ATOM 2784 OH2 TIP3 1059 -5.073 4.113 -23.978 1.00 0.00 WT1 ATOM 2785 H1 TIP3 1059 -5.449 4.988 -23.827 1.00 0.00 WT1 ATOM 2786 H2 TIP3 1059 -4.117 4.203 -23.916 1.00 0.00 WT1 ATOM 2787 OH2 TIP3 1068 -11.427 10.219 22.086 1.00 0.00 WT1 ATOM 2788 H1 TIP3 1068 -11.975 10.222 22.923 1.00 0.00 WT1 ATOM 2789 H2 TIP3 1068 -10.562 10.415 22.422 1.00 0.00 WT1 ATOM 2790 OH2 TIP3 1096 -0.921 12.592 -28.863 1.00 0.00 WT1 ATOM 2791 H1 TIP3 1096 -0.082 12.536 -29.294 1.00 0.00 WT1 ATOM 2792 H2 TIP3 1096 -1.281 13.389 -29.251 1.00 0.00 WT1 ATOM 2793 OH2 TIP3 1112 6.567 -11.794 29.346 1.00 0.00 WT1 ATOM 2794 H1 TIP3 1112 6.141 -11.124 28.805 1.00 0.00 WT1 ATOM 2795 H2 TIP3 1112 7.039 -12.356 28.715 1.00 0.00 WT1 ATOM 2796 OH2 TIP3 1115 3.854 1.098 27.420 1.00 0.00 WT1 ATOM 2797 H1 TIP3 1115 3.344 1.483 26.646 1.00 0.00 WT1 ATOM 2798 H2 TIP3 1115 3.305 1.282 28.163 1.00 0.00 WT1 ATOM 2799 OH2 TIP3 1253 -12.357 -3.257 22.308 1.00 0.00 WT1 ATOM 2800 H1 TIP3 1253 -12.470 -2.635 21.528 1.00 0.00 WT1 ATOM 2801 H2 TIP3 1253 -11.345 -3.419 22.210 1.00 0.00 WT1 ATOM 2802 OH2 TIP3 1307 -1.181 -9.602 -23.588 1.00 0.00 WT1 ATOM 2803 H1 TIP3 1307 -1.808 -8.938 -23.854 1.00 0.00 WT1 ATOM 2804 H2 TIP3 1307 -0.635 -9.699 -24.384 1.00 0.00 WT1 ATOM 2805 OH2 TIP3 1308 -13.161 4.253 -20.639 1.00 0.00 WT1 ATOM 2806 H1 TIP3 1308 -13.177 3.964 -19.760 1.00 0.00 WT1 ATOM 2807 H2 TIP3 1308 -13.859 4.971 -20.656 1.00 0.00 WT1 ATOM 2808 OH2 TIP3 1321 -2.991 4.157 16.762 1.00 0.00 WT1 ATOM 2809 H1 TIP3 1321 -3.942 3.797 16.821 1.00 0.00 WT1 ATOM 2810 H2 TIP3 1321 -3.093 5.082 16.619 1.00 0.00 WT1 ATOM 2811 OH2 TIP3 1327 -5.160 -13.336 -25.853 1.00 0.00 WT1 ATOM 2812 H1 TIP3 1327 -4.182 -13.445 -25.719 1.00 0.00 WT1 ATOM 2813 H2 TIP3 1327 -5.273 -13.322 -26.813 1.00 0.00 WT1 ATOM 2814 OH2 TIP3 1329 0.837 -10.849 -26.168 1.00 0.00 WT1 ATOM 2815 H1 TIP3 1329 1.235 -11.365 -26.880 1.00 0.00 WT1 ATOM 2816 H2 TIP3 1329 0.392 -11.571 -25.671 1.00 0.00 WT1 ATOM 2817 OH2 TIP3 1344 -9.628 3.670 -29.276 1.00 0.00 WT1 ATOM 2818 H1 TIP3 1344 -10.281 4.105 -29.873 1.00 0.00 WT1 ATOM 2819 H2 TIP3 1344 -9.074 3.097 -29.877 1.00 0.00 WT1 ATOM 2820 OH2 TIP3 1347 8.173 -10.931 -28.262 1.00 0.00 WT1 ATOM 2821 H1 TIP3 1347 8.875 -10.911 -28.994 1.00 0.00 WT1 ATOM 2822 H2 TIP3 1347 7.402 -11.121 -28.794 1.00 0.00 WT1 ATOM 2823 OH2 TIP3 1348 -7.810 -12.911 21.529 1.00 0.00 WT1 ATOM 2824 H1 TIP3 1348 -7.158 -13.381 21.017 1.00 0.00 WT1 ATOM 2825 H2 TIP3 1348 -7.755 -12.101 21.102 1.00 0.00 WT1 ATOM 2826 OH2 TIP3 1349 -6.248 -7.562 -22.970 1.00 0.00 WT1 ATOM 2827 H1 TIP3 1349 -7.030 -8.149 -23.086 1.00 0.00 WT1 ATOM 2828 H2 TIP3 1349 -6.409 -6.937 -23.692 1.00 0.00 WT1 ATOM 2829 OH2 TIP3 1367 -8.729 -0.710 -25.613 1.00 0.00 WT1 ATOM 2830 H1 TIP3 1367 -9.454 -1.242 -25.333 1.00 0.00 WT1 ATOM 2831 H2 TIP3 1367 -9.083 0.166 -25.418 1.00 0.00 WT1 ATOM 2832 OH2 TIP3 1369 10.563 -7.677 18.669 1.00 0.00 WT1 ATOM 2833 H1 TIP3 1369 11.298 -7.311 18.170 1.00 0.00 WT1 ATOM 2834 H2 TIP3 1369 9.809 -7.085 18.470 1.00 0.00 WT1 ATOM 2835 OH2 TIP3 1371 -10.849 -4.430 -23.159 1.00 0.00 WT1 ATOM 2836 H1 TIP3 1371 -10.770 -4.575 -24.123 1.00 0.00 WT1 ATOM 2837 H2 TIP3 1371 -11.848 -4.457 -23.037 1.00 0.00 WT1 ATOM 2838 OH2 TIP3 1374 -11.661 -3.294 -19.857 1.00 0.00 WT1 ATOM 2839 H1 TIP3 1374 -10.672 -3.139 -19.846 1.00 0.00 WT1 ATOM 2840 H2 TIP3 1374 -11.804 -4.044 -19.242 1.00 0.00 WT1 ATOM 2841 OH2 TIP3 1381 -10.759 1.610 22.804 1.00 0.00 WT1 ATOM 2842 H1 TIP3 1381 -10.465 2.401 22.265 1.00 0.00 WT1 ATOM 2843 H2 TIP3 1381 -11.475 2.083 23.219 1.00 0.00 WT1 ATOM 2844 OH2 TIP3 1384 2.256 -9.932 22.567 1.00 0.00 WT1 ATOM 2845 H1 TIP3 1384 2.663 -9.668 23.445 1.00 0.00 WT1 ATOM 2846 H2 TIP3 1384 2.938 -10.039 21.899 1.00 0.00 WT1 ATOM 2847 OH2 TIP3 1388 -1.551 -6.768 -17.507 1.00 0.00 WT1 ATOM 2848 H1 TIP3 1388 -1.968 -7.667 -17.477 1.00 0.00 WT1 ATOM 2849 H2 TIP3 1388 -2.155 -6.203 -18.027 1.00 0.00 WT1 ATOM 2850 OH2 TIP3 1389 -4.319 -4.754 -18.131 1.00 0.00 WT1 ATOM 2851 H1 TIP3 1389 -4.145 -4.848 -17.159 1.00 0.00 WT1 ATOM 2852 H2 TIP3 1389 -5.234 -4.455 -18.106 1.00 0.00 WT1 ATOM 2853 OH2 TIP3 1392 -3.510 -5.033 -15.280 1.00 0.00 WT1 ATOM 2854 H1 TIP3 1392 -3.778 -5.319 -14.424 1.00 0.00 WT1 ATOM 2855 H2 TIP3 1392 -2.980 -4.214 -15.092 1.00 0.00 WT1 ATOM 2856 OH2 TIP3 1406 12.992 -7.032 17.857 1.00 0.00 WT1 ATOM 2857 H1 TIP3 1406 13.067 -7.964 17.610 1.00 0.00 WT1 ATOM 2858 H2 TIP3 1406 13.920 -6.792 18.000 1.00 0.00 WT1 ATOM 2859 OH2 TIP3 1407 -5.524 2.927 -26.425 1.00 0.00 WT1 ATOM 2860 H1 TIP3 1407 -5.566 3.654 -25.705 1.00 0.00 WT1 ATOM 2861 H2 TIP3 1407 -4.837 2.380 -26.187 1.00 0.00 WT1 ATOM 2862 OH2 TIP3 1410 -1.763 -4.352 20.836 1.00 0.00 WT1 ATOM 2863 H1 TIP3 1410 -2.323 -4.541 20.037 1.00 0.00 WT1 ATOM 2864 H2 TIP3 1410 -2.157 -4.967 21.525 1.00 0.00 WT1 ATOM 2865 OH2 TIP3 1412 -5.729 -10.631 -24.537 1.00 0.00 WT1 ATOM 2866 H1 TIP3 1412 -6.595 -10.573 -24.055 1.00 0.00 WT1 ATOM 2867 H2 TIP3 1412 -5.391 -11.511 -24.280 1.00 0.00 WT1 ATOM 2868 OH2 TIP3 1413 -1.964 -3.330 -19.749 1.00 0.00 WT1 ATOM 2869 H1 TIP3 1413 -2.899 -3.578 -19.541 1.00 0.00 WT1 ATOM 2870 H2 TIP3 1413 -1.425 -3.584 -18.963 1.00 0.00 WT1 ATOM 2871 OH2 TIP3 1431 12.779 2.563 -28.937 1.00 0.00 WT1 ATOM 2872 H1 TIP3 1431 13.291 2.916 -28.231 1.00 0.00 WT1 ATOM 2873 H2 TIP3 1431 13.287 1.723 -29.157 1.00 0.00 WT1 ATOM 2874 OH2 TIP3 1449 -9.832 -10.263 19.733 1.00 0.00 WT1 ATOM 2875 H1 TIP3 1449 -10.489 -10.668 19.169 1.00 0.00 WT1 ATOM 2876 H2 TIP3 1449 -9.015 -10.680 19.359 1.00 0.00 WT1 ATOM 2877 OH2 TIP3 1453 -0.900 8.070 -27.251 1.00 0.00 WT1 ATOM 2878 H1 TIP3 1453 -0.852 7.095 -27.558 1.00 0.00 WT1 ATOM 2879 H2 TIP3 1453 -1.822 8.187 -27.177 1.00 0.00 WT1 ATOM 2880 OH2 TIP3 1454 -10.132 3.987 -26.580 1.00 0.00 WT1 ATOM 2881 H1 TIP3 1454 -9.650 3.714 -27.387 1.00 0.00 WT1 ATOM 2882 H2 TIP3 1454 -10.876 4.549 -26.834 1.00 0.00 WT1 ATOM 2883 OH2 TIP3 1468 1.932 7.795 25.099 1.00 0.00 WT1 ATOM 2884 H1 TIP3 1468 1.318 8.250 24.411 1.00 0.00 WT1 ATOM 2885 H2 TIP3 1468 2.604 8.517 25.264 1.00 0.00 WT1 ATOM 2886 OH2 TIP3 1472 14.561 -8.285 27.276 1.00 0.00 WT1 ATOM 2887 H1 TIP3 1472 15.503 -8.517 27.312 1.00 0.00 WT1 ATOM 2888 H2 TIP3 1472 14.552 -7.461 27.673 1.00 0.00 WT1 ATOM 2889 OH2 TIP3 1474 -12.639 0.249 -25.920 1.00 0.00 WT1 ATOM 2890 H1 TIP3 1474 -12.299 -0.535 -25.478 1.00 0.00 WT1 ATOM 2891 H2 TIP3 1474 -12.097 0.259 -26.696 1.00 0.00 WT1 ATOM 2892 OH2 TIP3 1487 -9.422 1.061 26.596 1.00 0.00 WT1 ATOM 2893 H1 TIP3 1487 -10.232 1.439 26.899 1.00 0.00 WT1 ATOM 2894 H2 TIP3 1487 -9.686 0.460 25.848 1.00 0.00 WT1 ATOM 2895 OH2 TIP3 1491 -6.098 4.129 26.214 1.00 0.00 WT1 ATOM 2896 H1 TIP3 1491 -6.744 3.708 25.597 1.00 0.00 WT1 ATOM 2897 H2 TIP3 1491 -6.551 4.941 26.501 1.00 0.00 WT1 ATOM 2898 OH2 TIP3 1493 14.493 3.026 -17.235 1.00 0.00 WT1 ATOM 2899 H1 TIP3 1493 13.842 3.743 -17.477 1.00 0.00 WT1 ATOM 2900 H2 TIP3 1493 14.880 3.359 -16.448 1.00 0.00 WT1 ATOM 2901 OH2 TIP3 1494 -2.222 -13.788 -19.636 1.00 0.00 WT1 ATOM 2902 H1 TIP3 1494 -2.283 -14.351 -18.840 1.00 0.00 WT1 ATOM 2903 H2 TIP3 1494 -2.590 -12.893 -19.295 1.00 0.00 WT1 ATOM 2904 OH2 TIP3 1497 -9.874 -5.058 -25.679 1.00 0.00 WT1 ATOM 2905 H1 TIP3 1497 -10.193 -5.916 -25.951 1.00 0.00 WT1 ATOM 2906 H2 TIP3 1497 -8.933 -5.203 -25.700 1.00 0.00 WT1 ATOM 2907 OH2 TIP3 1509 -10.836 4.158 24.541 1.00 0.00 WT1 ATOM 2908 H1 TIP3 1509 -11.184 3.482 25.223 1.00 0.00 WT1 ATOM 2909 H2 TIP3 1509 -11.576 4.806 24.430 1.00 0.00 WT1 ATOM 2910 OH2 TIP3 1511 -8.964 8.182 23.446 1.00 0.00 WT1 ATOM 2911 H1 TIP3 1511 -8.915 8.093 24.328 1.00 0.00 WT1 ATOM 2912 H2 TIP3 1511 -8.855 9.200 23.354 1.00 0.00 WT1 ATOM 2913 OH2 TIP3 1512 -8.868 6.053 -22.980 1.00 0.00 WT1 ATOM 2914 H1 TIP3 1512 -8.176 5.539 -22.614 1.00 0.00 WT1 ATOM 2915 H2 TIP3 1512 -8.522 6.332 -23.807 1.00 0.00 WT1 ATOM 2916 OH2 TIP3 1515 -1.890 2.383 -25.132 1.00 0.00 WT1 ATOM 2917 H1 TIP3 1515 -2.300 2.975 -24.435 1.00 0.00 WT1 ATOM 2918 H2 TIP3 1515 -1.006 2.567 -24.949 1.00 0.00 WT1 ATOM 2919 OH2 TIP3 1516 3.391 6.002 20.545 1.00 0.00 WT1 ATOM 2920 H1 TIP3 1516 3.022 5.108 20.283 1.00 0.00 WT1 ATOM 2921 H2 TIP3 1516 3.823 6.329 19.703 1.00 0.00 WT1 ATOM 2922 OH2 TIP3 1519 -6.997 9.874 -24.435 1.00 0.00 WT1 ATOM 2923 H1 TIP3 1519 -7.499 10.700 -24.331 1.00 0.00 WT1 ATOM 2924 H2 TIP3 1519 -6.136 10.159 -24.694 1.00 0.00 WT1 ATOM 2925 OH2 TIP3 1532 -8.373 3.173 -17.619 1.00 0.00 WT1 ATOM 2926 H1 TIP3 1532 -9.038 3.473 -16.941 1.00 0.00 WT1 ATOM 2927 H2 TIP3 1532 -7.740 2.591 -17.129 1.00 0.00 WT1 ATOM 2928 OH2 TIP3 1534 1.443 15.622 -23.772 1.00 0.00 WT1 ATOM 2929 H1 TIP3 1534 1.721 14.704 -23.678 1.00 0.00 WT1 ATOM 2930 H2 TIP3 1534 2.246 16.028 -24.128 1.00 0.00 WT1 ATOM 2931 OH2 TIP3 1538 -2.329 14.556 -23.069 1.00 0.00 WT1 ATOM 2932 H1 TIP3 1538 -2.151 15.539 -23.338 1.00 0.00 WT1 ATOM 2933 H2 TIP3 1538 -3.125 14.422 -23.613 1.00 0.00 WT1 ATOM 2934 OH2 TIP3 1540 12.191 -9.361 -17.039 1.00 0.00 WT1 ATOM 2935 H1 TIP3 1540 12.129 -9.526 -16.106 1.00 0.00 WT1 ATOM 2936 H2 TIP3 1540 12.423 -10.257 -17.430 1.00 0.00 WT1 ATOM 2937 OH2 TIP3 1550 2.072 -2.646 19.412 1.00 0.00 WT1 ATOM 2938 H1 TIP3 1550 1.771 -2.960 20.248 1.00 0.00 WT1 ATOM 2939 H2 TIP3 1550 1.338 -2.879 18.837 1.00 0.00 WT1 ATOM 2940 OH2 TIP3 1766 -0.556 -2.053 -24.303 1.00 0.00 WT1 ATOM 2941 H1 TIP3 1766 -1.044 -1.268 -24.026 1.00 0.00 WT1 ATOM 2942 H2 TIP3 1766 -0.871 -2.762 -23.662 1.00 0.00 WT1 ATOM 2943 OH2 TIP3 1788 -6.359 1.687 -16.069 1.00 0.00 WT1 ATOM 2944 H1 TIP3 1788 -5.502 2.165 -15.849 1.00 0.00 WT1 ATOM 2945 H2 TIP3 1788 -6.083 0.791 -15.930 1.00 0.00 WT1 ATOM 2946 OH2 TIP3 1790 -0.464 -3.969 -17.495 1.00 0.00 WT1 ATOM 2947 H1 TIP3 1790 -0.514 -4.853 -17.053 1.00 0.00 WT1 ATOM 2948 H2 TIP3 1790 -0.326 -3.326 -16.816 1.00 0.00 WT1 ATOM 2949 OH2 TIP3 1804 -7.497 -11.494 18.714 1.00 0.00 WT1 ATOM 2950 H1 TIP3 1804 -7.118 -12.320 18.320 1.00 0.00 WT1 ATOM 2951 H2 TIP3 1804 -6.728 -10.939 18.639 1.00 0.00 WT1 ATOM 2952 OH2 TIP3 1813 -14.534 -5.511 -17.732 1.00 0.00 WT1 ATOM 2953 H1 TIP3 1813 -14.640 -6.469 -17.630 1.00 0.00 WT1 ATOM 2954 H2 TIP3 1813 -13.531 -5.385 -17.839 1.00 0.00 WT1 ATOM 2955 OH2 TIP3 1827 -13.023 9.449 24.273 1.00 0.00 WT1 ATOM 2956 H1 TIP3 1827 -13.278 8.541 23.989 1.00 0.00 WT1 ATOM 2957 H2 TIP3 1827 -12.694 9.301 25.165 1.00 0.00 WT1 ATOM 2958 OH2 TIP3 1828 -12.556 -4.365 17.636 1.00 0.00 WT1 ATOM 2959 H1 TIP3 1828 -11.986 -4.249 18.402 1.00 0.00 WT1 ATOM 2960 H2 TIP3 1828 -12.040 -3.937 16.962 1.00 0.00 WT1 ATOM 2961 OH2 TIP3 1837 -10.093 10.027 -20.913 1.00 0.00 WT1 ATOM 2962 H1 TIP3 1837 -10.148 10.226 -19.950 1.00 0.00 WT1 ATOM 2963 H2 TIP3 1837 -9.222 10.407 -21.131 1.00 0.00 WT1 ATOM 2964 OH2 TIP3 1846 -4.764 -2.781 21.198 1.00 0.00 WT1 ATOM 2965 H1 TIP3 1846 -5.219 -3.436 20.582 1.00 0.00 WT1 ATOM 2966 H2 TIP3 1846 -4.861 -3.265 22.058 1.00 0.00 WT1 ATOM 2967 OH2 TIP3 1850 -10.081 7.533 -26.753 1.00 0.00 WT1 ATOM 2968 H1 TIP3 1850 -10.195 8.531 -26.652 1.00 0.00 WT1 ATOM 2969 H2 TIP3 1850 -9.198 7.355 -26.314 1.00 0.00 WT1 ATOM 2970 OH2 TIP3 1851 -2.407 3.027 -28.160 1.00 0.00 WT1 ATOM 2971 H1 TIP3 1851 -2.398 2.866 -27.255 1.00 0.00 WT1 ATOM 2972 H2 TIP3 1851 -2.170 2.209 -28.555 1.00 0.00 WT1 ATOM 2973 OH2 TIP3 1852 -10.729 7.882 -22.683 1.00 0.00 WT1 ATOM 2974 H1 TIP3 1852 -10.380 8.493 -22.055 1.00 0.00 WT1 ATOM 2975 H2 TIP3 1852 -10.142 7.078 -22.623 1.00 0.00 WT1 ATOM 2976 OH2 TIP3 1854 -1.737 -11.797 -28.775 1.00 0.00 WT1 ATOM 2977 H1 TIP3 1854 -2.211 -11.505 -27.982 1.00 0.00 WT1 ATOM 2978 H2 TIP3 1854 -1.870 -11.121 -29.441 1.00 0.00 WT1 ATOM 2979 OH2 TIP3 1856 -5.829 -6.548 27.201 1.00 0.00 WT1 ATOM 2980 H1 TIP3 1856 -6.658 -5.937 27.074 1.00 0.00 WT1 ATOM 2981 H2 TIP3 1856 -5.088 -5.983 27.256 1.00 0.00 WT1 ATOM 2982 OH2 TIP3 1867 -0.848 -7.266 19.142 1.00 0.00 WT1 ATOM 2983 H1 TIP3 1867 -1.702 -6.721 19.210 1.00 0.00 WT1 ATOM 2984 H2 TIP3 1867 -0.621 -7.154 18.220 1.00 0.00 WT1 ATOM 2985 OH2 TIP3 1869 0.975 9.119 22.578 1.00 0.00 WT1 ATOM 2986 H1 TIP3 1869 1.660 9.852 22.678 1.00 0.00 WT1 ATOM 2987 H2 TIP3 1869 0.135 9.561 22.334 1.00 0.00 WT1 ATOM 2988 OH2 TIP3 1872 10.085 -4.021 -24.005 1.00 0.00 WT1 ATOM 2989 H1 TIP3 1872 10.767 -4.300 -23.387 1.00 0.00 WT1 ATOM 2990 H2 TIP3 1872 9.655 -3.294 -23.484 1.00 0.00 WT1 ATOM 2991 OH2 TIP3 1873 -4.477 -5.192 -25.215 1.00 0.00 WT1 ATOM 2992 H1 TIP3 1873 -4.120 -5.237 -24.327 1.00 0.00 WT1 ATOM 2993 H2 TIP3 1873 -3.814 -5.740 -25.669 1.00 0.00 WT1 ATOM 2994 OH2 TIP3 1877 2.719 12.624 -19.099 1.00 0.00 WT1 ATOM 2995 H1 TIP3 1877 2.571 11.979 -19.844 1.00 0.00 WT1 ATOM 2996 H2 TIP3 1877 2.410 12.132 -18.270 1.00 0.00 WT1 ATOM 2997 OH2 TIP3 1881 -6.340 -0.415 -19.837 1.00 0.00 WT1 ATOM 2998 H1 TIP3 1881 -6.225 -1.177 -20.437 1.00 0.00 WT1 ATOM 2999 H2 TIP3 1881 -6.199 -0.872 -19.010 1.00 0.00 WT1 ATOM 3000 OH2 TIP3 1884 -5.831 11.433 19.972 1.00 0.00 WT1 ATOM 3001 H1 TIP3 1884 -6.070 12.067 19.312 1.00 0.00 WT1 ATOM 3002 H2 TIP3 1884 -4.879 11.335 19.833 1.00 0.00 WT1 ATOM 3003 OH2 TIP3 1887 5.503 2.335 20.847 1.00 0.00 WT1 ATOM 3004 H1 TIP3 1887 5.783 3.085 20.318 1.00 0.00 WT1 ATOM 3005 H2 TIP3 1887 4.702 2.099 20.409 1.00 0.00 WT1 ATOM 3006 OH2 TIP3 1889 -0.660 2.661 17.053 1.00 0.00 WT1 ATOM 3007 H1 TIP3 1889 -1.428 3.110 16.749 1.00 0.00 WT1 ATOM 3008 H2 TIP3 1889 -1.027 1.745 17.335 1.00 0.00 WT1 ATOM 3009 OH2 TIP3 1890 -7.655 -9.964 23.312 1.00 0.00 WT1 ATOM 3010 H1 TIP3 1890 -7.014 -9.971 24.059 1.00 0.00 WT1 ATOM 3011 H2 TIP3 1890 -7.246 -10.411 22.513 1.00 0.00 WT1 ATOM 3012 OH2 TIP3 1893 4.495 -3.890 26.286 1.00 0.00 WT1 ATOM 3013 H1 TIP3 1893 5.150 -4.431 25.790 1.00 0.00 WT1 ATOM 3014 H2 TIP3 1893 4.669 -3.075 25.855 1.00 0.00 WT1 ATOM 3015 OH2 TIP3 1896 3.958 1.486 -23.528 1.00 0.00 WT1 ATOM 3016 H1 TIP3 1896 4.376 0.627 -23.326 1.00 0.00 WT1 ATOM 3017 H2 TIP3 1896 3.699 1.422 -24.490 1.00 0.00 WT1 ATOM 3018 OH2 TIP3 1905 3.940 -6.262 15.599 1.00 0.00 WT1 ATOM 3019 H1 TIP3 1905 3.239 -6.907 15.853 1.00 0.00 WT1 ATOM 3020 H2 TIP3 1905 4.707 -6.666 15.930 1.00 0.00 WT1 ATOM 3021 OH2 TIP3 1908 -5.754 3.001 19.767 1.00 0.00 WT1 ATOM 3022 H1 TIP3 1908 -6.183 3.433 20.586 1.00 0.00 WT1 ATOM 3023 H2 TIP3 1908 -4.795 3.322 19.827 1.00 0.00 WT1 ATOM 3024 OH2 TIP3 1911 -3.574 -0.139 27.689 1.00 0.00 WT1 ATOM 3025 H1 TIP3 1911 -4.408 -0.046 28.220 1.00 0.00 WT1 ATOM 3026 H2 TIP3 1911 -3.592 0.654 27.134 1.00 0.00 WT1 ATOM 3027 OH2 TIP3 1912 -0.656 0.867 -22.703 1.00 0.00 WT1 ATOM 3028 H1 TIP3 1912 -0.185 1.649 -23.135 1.00 0.00 WT1 ATOM 3029 H2 TIP3 1912 -1.264 1.427 -22.200 1.00 0.00 WT1 ATOM 3030 OH2 TIP3 1913 -11.162 -10.359 -27.972 1.00 0.00 WT1 ATOM 3031 H1 TIP3 1913 -11.084 -10.775 -28.802 1.00 0.00 WT1 ATOM 3032 H2 TIP3 1913 -10.387 -10.577 -27.488 1.00 0.00 WT1 ATOM 3033 OH2 TIP3 1914 -8.577 1.655 -19.983 1.00 0.00 WT1 ATOM 3034 H1 TIP3 1914 -8.328 1.998 -19.072 1.00 0.00 WT1 ATOM 3035 H2 TIP3 1914 -8.033 0.821 -20.027 1.00 0.00 WT1 ATOM 3036 OH2 TIP3 1915 -1.623 -3.135 -28.759 1.00 0.00 WT1 ATOM 3037 H1 TIP3 1915 -1.701 -2.688 -29.628 1.00 0.00 WT1 ATOM 3038 H2 TIP3 1915 -0.711 -3.137 -28.486 1.00 0.00 WT1 ATOM 3039 OH2 TIP3 1927 4.546 12.585 20.899 1.00 0.00 WT1 ATOM 3040 H1 TIP3 1927 4.675 13.540 21.025 1.00 0.00 WT1 ATOM 3041 H2 TIP3 1927 5.462 12.300 21.067 1.00 0.00 WT1 ATOM 3042 OH2 TIP3 1932 -6.968 -1.420 26.384 1.00 0.00 WT1 ATOM 3043 H1 TIP3 1932 -6.546 -1.244 27.236 1.00 0.00 WT1 ATOM 3044 H2 TIP3 1932 -6.251 -2.031 25.946 1.00 0.00 WT1 ATOM 3045 OH2 TIP3 1935 -2.382 4.349 -23.428 1.00 0.00 WT1 ATOM 3046 H1 TIP3 1935 -1.724 5.075 -23.401 1.00 0.00 WT1 ATOM 3047 H2 TIP3 1935 -2.614 4.257 -22.499 1.00 0.00 WT1 ATOM 3048 OH2 TIP3 1936 -3.261 6.576 -20.602 1.00 0.00 WT1 ATOM 3049 H1 TIP3 1936 -3.334 5.644 -20.731 1.00 0.00 WT1 ATOM 3050 H2 TIP3 1936 -3.996 6.879 -21.190 1.00 0.00 WT1 ATOM 3051 OH2 TIP3 1950 -3.446 8.422 -24.233 1.00 0.00 WT1 ATOM 3052 H1 TIP3 1950 -3.446 9.368 -24.212 1.00 0.00 WT1 ATOM 3053 H2 TIP3 1950 -3.656 8.223 -25.161 1.00 0.00 WT1 ATOM 3054 OH2 TIP3 1952 -6.267 0.261 28.744 1.00 0.00 WT1 ATOM 3055 H1 TIP3 1952 -6.673 1.074 28.462 1.00 0.00 WT1 ATOM 3056 H2 TIP3 1952 -6.272 0.364 29.672 1.00 0.00 WT1 ATOM 3057 OH2 TIP3 1954 7.085 -13.148 -23.974 1.00 0.00 WT1 ATOM 3058 H1 TIP3 1954 6.512 -13.111 -23.223 1.00 0.00 WT1 ATOM 3059 H2 TIP3 1954 7.681 -12.408 -23.824 1.00 0.00 WT1 ATOM 3060 OH2 TIP3 1955 -12.918 7.525 -29.415 1.00 0.00 WT1 ATOM 3061 H1 TIP3 1955 -13.161 8.506 -29.214 1.00 0.00 WT1 ATOM 3062 H2 TIP3 1955 -13.108 7.535 -30.370 1.00 0.00 WT1 ATOM 3063 OH2 TIP3 1956 2.683 4.398 28.342 1.00 0.00 WT1 ATOM 3064 H1 TIP3 1956 3.446 3.885 28.600 1.00 0.00 WT1 ATOM 3065 H2 TIP3 1956 2.686 4.348 27.395 1.00 0.00 WT1 ATOM 3066 OH2 TIP3 1957 -1.267 5.469 27.295 1.00 0.00 WT1 ATOM 3067 H1 TIP3 1957 -0.893 6.233 27.768 1.00 0.00 WT1 ATOM 3068 H2 TIP3 1957 -2.017 5.210 27.885 1.00 0.00 WT1 ATOM 3069 OH2 TIP3 1958 -6.134 4.658 22.286 1.00 0.00 WT1 ATOM 3070 H1 TIP3 1958 -5.243 4.594 22.607 1.00 0.00 WT1 ATOM 3071 H2 TIP3 1958 -6.681 4.724 23.030 1.00 0.00 WT1 ATOM 3072 OH2 TIP3 1991 -0.775 -14.359 20.206 1.00 0.00 WT1 ATOM 3073 H1 TIP3 1991 -0.800 -15.348 20.059 1.00 0.00 WT1 ATOM 3074 H2 TIP3 1991 -1.698 -14.144 20.435 1.00 0.00 WT1 ATOM 3075 OH2 TIP3 1992 2.446 14.496 18.537 1.00 0.00 WT1 ATOM 3076 H1 TIP3 1992 1.553 14.795 18.392 1.00 0.00 WT1 ATOM 3077 H2 TIP3 1992 2.492 13.681 18.070 1.00 0.00 WT1 ATOM 3078 OH2 TIP3 1993 3.355 11.463 -28.823 1.00 0.00 WT1 ATOM 3079 H1 TIP3 1993 4.239 11.009 -28.953 1.00 0.00 WT1 ATOM 3080 H2 TIP3 1993 3.292 11.321 -27.860 1.00 0.00 WT1 ATOM 3081 OH2 TIP3 1995 -9.103 8.732 19.537 1.00 0.00 WT1 ATOM 3082 H1 TIP3 1995 -10.037 8.733 19.297 1.00 0.00 WT1 ATOM 3083 H2 TIP3 1995 -8.924 9.706 19.897 1.00 0.00 WT1 ATOM 3084 OH2 TIP3 1997 -3.194 -14.135 23.651 1.00 0.00 WT1 ATOM 3085 H1 TIP3 1997 -2.989 -14.138 24.563 1.00 0.00 WT1 ATOM 3086 H2 TIP3 1997 -2.798 -14.965 23.277 1.00 0.00 WT1 ATOM 3087 OH2 TIP3 2002 -3.586 10.834 -21.314 1.00 0.00 WT1 ATOM 3088 H1 TIP3 2002 -2.779 10.525 -21.766 1.00 0.00 WT1 ATOM 3089 H2 TIP3 2002 -3.326 11.679 -20.963 1.00 0.00 WT1 ATOM 3090 OH2 TIP3 2021 -5.448 8.920 -20.542 1.00 0.00 WT1 ATOM 3091 H1 TIP3 2021 -4.757 9.518 -20.892 1.00 0.00 WT1 ATOM 3092 H2 TIP3 2021 -5.297 9.031 -19.570 1.00 0.00 WT1 ATOM 3093 OH2 TIP3 2035 -14.677 8.388 18.006 1.00 0.00 WT1 ATOM 3094 H1 TIP3 2035 -13.747 8.337 17.913 1.00 0.00 WT1 ATOM 3095 H2 TIP3 2035 -14.847 9.307 17.759 1.00 0.00 WT1 ATOM 3096 OH2 TIP3 2105 2.472 -14.915 -16.527 1.00 0.00 WT1 ATOM 3097 H1 TIP3 2105 2.048 -14.073 -16.252 1.00 0.00 WT1 ATOM 3098 H2 TIP3 2105 3.123 -15.081 -15.826 1.00 0.00 WT1 ATOM 3099 OH2 TIP3 2165 -7.860 -11.856 -20.629 1.00 0.00 WT1 ATOM 3100 H1 TIP3 2165 -7.938 -12.675 -21.214 1.00 0.00 WT1 ATOM 3101 H2 TIP3 2165 -6.965 -11.939 -20.208 1.00 0.00 WT1 ATOM 3102 OH2 TIP3 2185 -2.414 -15.342 -14.184 1.00 0.00 WT1 ATOM 3103 H1 TIP3 2185 -2.833 -14.809 -13.479 1.00 0.00 WT1 ATOM 3104 H2 TIP3 2185 -1.479 -15.414 -13.904 1.00 0.00 WT1 ATOM 3105 OH2 TIP3 2186 4.470 -9.467 -19.293 1.00 0.00 WT1 ATOM 3106 H1 TIP3 2186 4.635 -8.952 -18.423 1.00 0.00 WT1 ATOM 3107 H2 TIP3 2186 5.177 -10.085 -19.233 1.00 0.00 WT1 ATOM 3108 OH2 TIP3 2208 13.815 -1.966 -21.922 1.00 0.00 WT1 ATOM 3109 H1 TIP3 2208 14.199 -2.081 -21.105 1.00 0.00 WT1 ATOM 3110 H2 TIP3 2208 14.506 -1.517 -22.414 1.00 0.00 WT1 ATOM 3111 OH2 TIP3 2225 4.188 -11.791 26.505 1.00 0.00 WT1 ATOM 3112 H1 TIP3 2225 4.878 -11.642 25.803 1.00 0.00 WT1 ATOM 3113 H2 TIP3 2225 4.385 -12.706 26.805 1.00 0.00 WT1 ATOM 3114 OH2 TIP3 2229 3.254 1.169 -26.262 1.00 0.00 WT1 ATOM 3115 H1 TIP3 2229 2.781 1.964 -26.332 1.00 0.00 WT1 ATOM 3116 H2 TIP3 2229 2.567 0.517 -26.170 1.00 0.00 WT1 ATOM 3117 OH2 TIP3 2232 2.580 -5.351 -17.847 1.00 0.00 WT1 ATOM 3118 H1 TIP3 2232 2.296 -4.457 -17.579 1.00 0.00 WT1 ATOM 3119 H2 TIP3 2232 3.541 -5.299 -17.851 1.00 0.00 WT1 ATOM 3120 OH2 TIP3 2243 1.708 -6.616 20.664 1.00 0.00 WT1 ATOM 3121 H1 TIP3 2243 1.115 -6.787 19.905 1.00 0.00 WT1 ATOM 3122 H2 TIP3 2243 1.714 -5.668 20.644 1.00 0.00 WT1 ATOM 3123 OH2 TIP3 2247 -6.854 -6.840 22.257 1.00 0.00 WT1 ATOM 3124 H1 TIP3 2247 -6.113 -7.357 22.142 1.00 0.00 WT1 ATOM 3125 H2 TIP3 2247 -6.755 -6.496 23.117 1.00 0.00 WT1 ATOM 3126 OH2 TIP3 2251 -2.612 -0.466 -27.539 1.00 0.00 WT1 ATOM 3127 H1 TIP3 2251 -2.577 -1.384 -27.899 1.00 0.00 WT1 ATOM 3128 H2 TIP3 2251 -2.338 0.128 -28.258 1.00 0.00 WT1 ATOM 3129 OH2 TIP3 2253 -7.425 -0.926 -28.255 1.00 0.00 WT1 ATOM 3130 H1 TIP3 2253 -7.754 -0.970 -27.370 1.00 0.00 WT1 ATOM 3131 H2 TIP3 2253 -6.542 -1.328 -28.217 1.00 0.00 WT1 ATOM 3132 OH2 TIP3 2265 -6.329 -8.938 25.665 1.00 0.00 WT1 ATOM 3133 H1 TIP3 2265 -5.601 -8.818 25.005 1.00 0.00 WT1 ATOM 3134 H2 TIP3 2265 -6.272 -8.083 26.126 1.00 0.00 WT1 ATOM 3135 OH2 TIP3 2266 3.710 -0.898 15.980 1.00 0.00 WT1 ATOM 3136 H1 TIP3 2266 2.856 -1.346 16.025 1.00 0.00 WT1 ATOM 3137 H2 TIP3 2266 3.630 -0.510 15.111 1.00 0.00 WT1 ATOM 3138 OH2 TIP3 2271 7.431 -6.760 -22.607 1.00 0.00 WT1 ATOM 3139 H1 TIP3 2271 6.773 -6.529 -21.904 1.00 0.00 WT1 ATOM 3140 H2 TIP3 2271 7.011 -7.585 -23.072 1.00 0.00 WT1 ATOM 3141 OH2 TIP3 2274 -6.325 11.446 -18.577 1.00 0.00 WT1 ATOM 3142 H1 TIP3 2274 -6.128 10.547 -18.308 1.00 0.00 WT1 ATOM 3143 H2 TIP3 2274 -6.976 11.858 -17.951 1.00 0.00 WT1 ATOM 3144 OH2 TIP3 2275 3.703 -7.097 -28.454 1.00 0.00 WT1 ATOM 3145 H1 TIP3 2275 3.447 -6.786 -27.558 1.00 0.00 WT1 ATOM 3146 H2 TIP3 2275 4.585 -6.685 -28.549 1.00 0.00 WT1 ATOM 3147 OH2 TIP3 2287 2.455 7.990 16.616 1.00 0.00 WT1 ATOM 3148 H1 TIP3 2287 3.192 7.784 17.212 1.00 0.00 WT1 ATOM 3149 H2 TIP3 2287 2.481 7.229 16.097 1.00 0.00 WT1 ATOM 3150 OH2 TIP3 2291 -2.650 -3.045 24.930 1.00 0.00 WT1 ATOM 3151 H1 TIP3 2291 -2.461 -2.876 24.002 1.00 0.00 WT1 ATOM 3152 H2 TIP3 2291 -1.861 -2.677 25.417 1.00 0.00 WT1 ATOM 3153 OH2 TIP3 2296 11.371 -3.767 -21.582 1.00 0.00 WT1 ATOM 3154 H1 TIP3 2296 11.997 -3.964 -20.896 1.00 0.00 WT1 ATOM 3155 H2 TIP3 2296 10.868 -3.064 -21.217 1.00 0.00 WT1 ATOM 3156 OH2 TIP3 2303 -9.242 -2.619 25.776 1.00 0.00 WT1 ATOM 3157 H1 TIP3 2303 -8.390 -2.136 25.942 1.00 0.00 WT1 ATOM 3158 H2 TIP3 2303 -9.775 -1.863 25.557 1.00 0.00 WT1 ATOM 3159 OH2 TIP3 2309 -4.365 -7.520 -28.558 1.00 0.00 WT1 ATOM 3160 H1 TIP3 2309 -4.124 -6.717 -28.041 1.00 0.00 WT1 ATOM 3161 H2 TIP3 2309 -5.294 -7.412 -28.865 1.00 0.00 WT1 ATOM 3162 OH2 TIP3 2310 -9.931 -8.779 23.383 1.00 0.00 WT1 ATOM 3163 H1 TIP3 2310 -10.768 -9.300 23.424 1.00 0.00 WT1 ATOM 3164 H2 TIP3 2310 -9.241 -9.462 23.394 1.00 0.00 WT1 ATOM 3165 OH2 TIP3 2311 -3.194 -5.881 -22.834 1.00 0.00 WT1 ATOM 3166 H1 TIP3 2311 -2.447 -5.323 -23.000 1.00 0.00 WT1 ATOM 3167 H2 TIP3 2311 -2.908 -6.310 -21.993 1.00 0.00 WT1 ATOM 3168 OH2 TIP3 2313 11.147 -7.552 -21.099 1.00 0.00 WT1 ATOM 3169 H1 TIP3 2313 11.552 -7.075 -21.871 1.00 0.00 WT1 ATOM 3170 H2 TIP3 2313 10.579 -8.188 -21.483 1.00 0.00 WT1 ATOM 3171 OH2 TIP3 2315 0.545 5.139 -19.796 1.00 0.00 WT1 ATOM 3172 H1 TIP3 2315 0.814 5.222 -20.741 1.00 0.00 WT1 ATOM 3173 H2 TIP3 2315 1.253 5.682 -19.340 1.00 0.00 WT1 ATOM 3174 OH2 TIP3 2319 0.635 2.317 -15.106 1.00 0.00 WT1 ATOM 3175 H1 TIP3 2319 1.205 2.652 -15.749 1.00 0.00 WT1 ATOM 3176 H2 TIP3 2319 0.649 3.037 -14.487 1.00 0.00 WT1 ATOM 3177 OH2 TIP3 2331 8.387 -5.995 -24.975 1.00 0.00 WT1 ATOM 3178 H1 TIP3 2331 8.159 -6.221 -24.093 1.00 0.00 WT1 ATOM 3179 H2 TIP3 2331 9.302 -5.640 -24.842 1.00 0.00 WT1 ATOM 3180 OH2 TIP3 2332 5.311 -0.812 -25.822 1.00 0.00 WT1 ATOM 3181 H1 TIP3 2332 5.600 0.107 -25.825 1.00 0.00 WT1 ATOM 3182 H2 TIP3 2332 5.148 -1.021 -24.908 1.00 0.00 WT1 ATOM 3183 OH2 TIP3 2333 6.641 -12.968 -26.787 1.00 0.00 WT1 ATOM 3184 H1 TIP3 2333 7.219 -12.234 -27.062 1.00 0.00 WT1 ATOM 3185 H2 TIP3 2333 6.740 -13.010 -25.826 1.00 0.00 WT1 ATOM 3186 OH2 TIP3 2335 -8.914 -2.719 -20.066 1.00 0.00 WT1 ATOM 3187 H1 TIP3 2335 -8.716 -3.686 -20.222 1.00 0.00 WT1 ATOM 3188 H2 TIP3 2335 -8.771 -2.328 -20.932 1.00 0.00 WT1 ATOM 3189 OH2 TIP3 2336 -5.951 -10.587 -27.399 1.00 0.00 WT1 ATOM 3190 H1 TIP3 2336 -5.329 -10.937 -28.064 1.00 0.00 WT1 ATOM 3191 H2 TIP3 2336 -5.474 -10.550 -26.548 1.00 0.00 WT1 ATOM 3192 OH2 TIP3 2337 -0.622 12.806 -22.089 1.00 0.00 WT1 ATOM 3193 H1 TIP3 2337 -1.167 13.443 -22.556 1.00 0.00 WT1 ATOM 3194 H2 TIP3 2337 -0.519 13.227 -21.201 1.00 0.00 WT1 ATOM 3195 OH2 TIP3 2338 1.670 12.287 -23.534 1.00 0.00 WT1 ATOM 3196 H1 TIP3 2338 2.412 12.168 -22.871 1.00 0.00 WT1 ATOM 3197 H2 TIP3 2338 0.893 12.592 -22.971 1.00 0.00 WT1 ATOM 3198 OH2 TIP3 2339 -3.859 2.870 -15.799 1.00 0.00 WT1 ATOM 3199 H1 TIP3 2339 -3.324 3.527 -15.271 1.00 0.00 WT1 ATOM 3200 H2 TIP3 2339 -3.194 2.306 -16.288 1.00 0.00 WT1 ATOM 3201 OH2 TIP3 2349 -8.928 5.881 22.155 1.00 0.00 WT1 ATOM 3202 H1 TIP3 2349 -9.071 5.273 22.867 1.00 0.00 WT1 ATOM 3203 H2 TIP3 2349 -9.140 6.841 22.506 1.00 0.00 WT1 ATOM 3204 OH2 TIP3 2354 -1.895 12.020 -26.366 1.00 0.00 WT1 ATOM 3205 H1 TIP3 2354 -1.513 12.712 -25.811 1.00 0.00 WT1 ATOM 3206 H2 TIP3 2354 -1.579 12.298 -27.238 1.00 0.00 WT1 ATOM 3207 OH2 TIP3 2355 1.786 -3.463 -24.261 1.00 0.00 WT1 ATOM 3208 H1 TIP3 2355 2.287 -3.197 -25.089 1.00 0.00 WT1 ATOM 3209 H2 TIP3 2355 1.011 -2.862 -24.340 1.00 0.00 WT1 ATOM 3210 OH2 TIP3 2359 3.449 5.565 -19.114 1.00 0.00 WT1 ATOM 3211 H1 TIP3 2359 3.867 5.402 -18.361 1.00 0.00 WT1 ATOM 3212 H2 TIP3 2359 3.276 6.515 -18.965 1.00 0.00 WT1 ATOM 3213 OH2 TIP3 2369 8.641 -9.982 24.049 1.00 0.00 WT1 ATOM 3214 H1 TIP3 2369 8.587 -9.105 24.447 1.00 0.00 WT1 ATOM 3215 H2 TIP3 2369 9.328 -10.384 24.489 1.00 0.00 WT1 ATOM 3216 OH2 TIP3 2371 -1.955 -6.179 23.527 1.00 0.00 WT1 ATOM 3217 H1 TIP3 2371 -1.804 -6.266 24.494 1.00 0.00 WT1 ATOM 3218 H2 TIP3 2371 -1.271 -6.718 23.209 1.00 0.00 WT1 ATOM 3219 OH2 TIP3 2374 3.300 4.718 23.046 1.00 0.00 WT1 ATOM 3220 H1 TIP3 2374 2.784 4.738 22.229 1.00 0.00 WT1 ATOM 3221 H2 TIP3 2374 2.654 4.878 23.775 1.00 0.00 WT1 ATOM 3222 OH2 TIP3 2377 0.774 -11.106 -21.819 1.00 0.00 WT1 ATOM 3223 H1 TIP3 2377 0.024 -10.962 -22.450 1.00 0.00 WT1 ATOM 3224 H2 TIP3 2377 1.030 -12.004 -22.037 1.00 0.00 WT1 ATOM 3225 OH2 TIP3 2380 -2.819 -5.443 -27.518 1.00 0.00 WT1 ATOM 3226 H1 TIP3 2380 -2.587 -4.486 -27.635 1.00 0.00 WT1 ATOM 3227 H2 TIP3 2380 -1.957 -5.910 -27.464 1.00 0.00 WT1 ATOM 3228 OH2 TIP3 2390 -2.529 -1.791 22.241 1.00 0.00 WT1 ATOM 3229 H1 TIP3 2390 -2.017 -2.561 21.911 1.00 0.00 WT1 ATOM 3230 H2 TIP3 2390 -3.288 -1.717 21.670 1.00 0.00 WT1 ATOM 3231 OH2 TIP3 2393 -5.062 8.565 21.771 1.00 0.00 WT1 ATOM 3232 H1 TIP3 2393 -5.267 9.405 22.210 1.00 0.00 WT1 ATOM 3233 H2 TIP3 2393 -4.326 8.243 22.304 1.00 0.00 WT1 ATOM 3234 OH2 TIP3 2394 10.508 -1.335 25.319 1.00 0.00 WT1 ATOM 3235 H1 TIP3 2394 10.461 -0.589 24.782 1.00 0.00 WT1 ATOM 3236 H2 TIP3 2394 9.564 -1.364 25.491 1.00 0.00 WT1 ATOM 3237 OH2 TIP3 2396 8.660 -12.257 18.091 1.00 0.00 WT1 ATOM 3238 H1 TIP3 2396 8.822 -11.436 18.452 1.00 0.00 WT1 ATOM 3239 H2 TIP3 2396 8.654 -12.083 17.171 1.00 0.00 WT1 ATOM 3240 OH2 TIP3 2414 -2.008 -2.265 15.982 1.00 0.00 WT1 ATOM 3241 H1 TIP3 2414 -1.182 -1.707 15.865 1.00 0.00 WT1 ATOM 3242 H2 TIP3 2414 -2.165 -2.672 15.065 1.00 0.00 WT1 ATOM 3243 OH2 TIP3 2415 -5.302 11.111 22.704 1.00 0.00 WT1 ATOM 3244 H1 TIP3 2415 -5.252 11.384 21.721 1.00 0.00 WT1 ATOM 3245 H2 TIP3 2415 -4.655 11.700 23.084 1.00 0.00 WT1 ATOM 3246 OH2 TIP3 2436 -2.742 13.756 28.788 1.00 0.00 WT1 ATOM 3247 H1 TIP3 2436 -2.117 13.317 28.113 1.00 0.00 WT1 ATOM 3248 H2 TIP3 2436 -3.062 12.990 29.407 1.00 0.00 WT1 ATOM 3249 OH2 TIP3 2457 -0.213 4.330 19.034 1.00 0.00 WT1 ATOM 3250 H1 TIP3 2457 -0.450 3.761 18.249 1.00 0.00 WT1 ATOM 3251 H2 TIP3 2457 0.614 3.919 19.305 1.00 0.00 WT1 ATOM 3252 OH2 TIP3 2475 -1.839 -0.060 17.689 1.00 0.00 WT1 ATOM 3253 H1 TIP3 2475 -2.389 -0.052 18.454 1.00 0.00 WT1 ATOM 3254 H2 TIP3 2475 -2.164 -0.929 17.320 1.00 0.00 WT1 ATOM 3255 OH2 TIP3 2626 -13.000 -5.893 23.068 1.00 0.00 WT1 ATOM 3256 H1 TIP3 2626 -12.408 -6.070 23.868 1.00 0.00 WT1 ATOM 3257 H2 TIP3 2626 -12.656 -5.071 22.692 1.00 0.00 WT1 ATOM 3258 OH2 TIP3 2628 6.787 -5.349 -19.905 1.00 0.00 WT1 ATOM 3259 H1 TIP3 2628 6.268 -5.259 -19.003 1.00 0.00 WT1 ATOM 3260 H2 TIP3 2628 6.757 -4.470 -20.340 1.00 0.00 WT1 ATOM 3261 OH2 TIP3 2632 7.124 -0.099 -21.615 1.00 0.00 WT1 ATOM 3262 H1 TIP3 2632 7.998 -0.461 -21.602 1.00 0.00 WT1 ATOM 3263 H2 TIP3 2632 7.113 0.356 -22.503 1.00 0.00 WT1 ATOM 3264 OH2 TIP3 2646 -4.546 -4.902 23.210 1.00 0.00 WT1 ATOM 3265 H1 TIP3 2646 -4.754 -5.665 22.689 1.00 0.00 WT1 ATOM 3266 H2 TIP3 2646 -3.749 -5.160 23.678 1.00 0.00 WT1 ATOM 3267 OH2 TIP3 2649 11.228 -7.233 -24.112 1.00 0.00 WT1 ATOM 3268 H1 TIP3 2649 11.906 -7.777 -24.585 1.00 0.00 WT1 ATOM 3269 H2 TIP3 2649 11.488 -6.386 -24.619 1.00 0.00 WT1 ATOM 3270 OH2 TIP3 2654 9.470 -7.956 -26.755 1.00 0.00 WT1 ATOM 3271 H1 TIP3 2654 8.859 -7.775 -27.496 1.00 0.00 WT1 ATOM 3272 H2 TIP3 2654 9.210 -7.310 -26.047 1.00 0.00 WT1 ATOM 3273 OH2 TIP3 2669 -2.077 -7.476 -20.975 1.00 0.00 WT1 ATOM 3274 H1 TIP3 2669 -1.242 -7.783 -21.365 1.00 0.00 WT1 ATOM 3275 H2 TIP3 2669 -2.091 -7.933 -20.079 1.00 0.00 WT1 ATOM 3276 OH2 TIP3 2685 -3.657 7.066 16.114 1.00 0.00 WT1 ATOM 3277 H1 TIP3 2685 -4.610 7.004 16.232 1.00 0.00 WT1 ATOM 3278 H2 TIP3 2685 -3.412 7.729 16.765 1.00 0.00 WT1 ATOM 3279 OH2 TIP3 2686 4.430 -2.279 21.876 1.00 0.00 WT1 ATOM 3280 H1 TIP3 2686 4.676 -3.224 21.892 1.00 0.00 WT1 ATOM 3281 H2 TIP3 2686 4.983 -1.858 22.620 1.00 0.00 WT1 ATOM 3282 OH2 TIP3 2689 1.705 -12.783 -28.270 1.00 0.00 WT1 ATOM 3283 H1 TIP3 2689 2.641 -13.046 -28.404 1.00 0.00 WT1 ATOM 3284 H2 TIP3 2689 1.199 -13.250 -28.953 1.00 0.00 WT1 ATOM 3285 OH2 TIP3 2690 -10.431 10.092 -26.660 1.00 0.00 WT1 ATOM 3286 H1 TIP3 2690 -10.891 10.372 -25.780 1.00 0.00 WT1 ATOM 3287 H2 TIP3 2690 -11.081 10.362 -27.324 1.00 0.00 WT1 ATOM 3288 OH2 TIP3 2691 -3.063 -14.971 -16.898 1.00 0.00 WT1 ATOM 3289 H1 TIP3 2691 -2.971 -15.036 -15.907 1.00 0.00 WT1 ATOM 3290 H2 TIP3 2691 -2.630 -15.838 -17.216 1.00 0.00 WT1 ATOM 3291 OH2 TIP3 2692 9.384 -8.890 -22.724 1.00 0.00 WT1 ATOM 3292 H1 TIP3 2692 8.845 -8.143 -22.651 1.00 0.00 WT1 ATOM 3293 H2 TIP3 2692 9.961 -8.588 -23.450 1.00 0.00 WT1 ATOM 3294 OH2 TIP3 2697 5.271 -5.591 -17.565 1.00 0.00 WT1 ATOM 3295 H1 TIP3 2697 5.856 -5.390 -16.849 1.00 0.00 WT1 ATOM 3296 H2 TIP3 2697 5.246 -6.550 -17.686 1.00 0.00 WT1 ATOM 3297 OH2 TIP3 2707 2.502 2.591 25.669 1.00 0.00 WT1 ATOM 3298 H1 TIP3 2707 2.629 3.559 25.576 1.00 0.00 WT1 ATOM 3299 H2 TIP3 2707 2.138 2.340 24.829 1.00 0.00 WT1 ATOM 3300 OH2 TIP3 2713 -3.667 0.245 -25.049 1.00 0.00 WT1 ATOM 3301 H1 TIP3 2713 -3.443 -0.032 -25.966 1.00 0.00 WT1 ATOM 3302 H2 TIP3 2713 -2.991 0.899 -24.841 1.00 0.00 WT1 ATOM 3303 OH2 TIP3 2715 5.188 -9.666 28.228 1.00 0.00 WT1 ATOM 3304 H1 TIP3 2715 4.636 -9.602 29.037 1.00 0.00 WT1 ATOM 3305 H2 TIP3 2715 4.650 -10.293 27.646 1.00 0.00 WT1 ATOM 3306 OH2 TIP3 2727 3.911 3.252 17.006 1.00 0.00 WT1 ATOM 3307 H1 TIP3 2727 4.675 3.853 17.069 1.00 0.00 WT1 ATOM 3308 H2 TIP3 2727 4.239 2.336 17.233 1.00 0.00 WT1 ATOM 3309 OH2 TIP3 2728 -0.388 -11.253 21.178 1.00 0.00 WT1 ATOM 3310 H1 TIP3 2728 -0.204 -12.159 21.357 1.00 0.00 WT1 ATOM 3311 H2 TIP3 2728 0.421 -10.727 21.242 1.00 0.00 WT1 ATOM 3312 OH2 TIP3 2730 -3.806 -9.139 24.467 1.00 0.00 WT1 ATOM 3313 H1 TIP3 2730 -3.059 -8.872 25.083 1.00 0.00 WT1 ATOM 3314 H2 TIP3 2730 -3.292 -9.400 23.646 1.00 0.00 WT1 ATOM 3315 OH2 TIP3 2732 -3.239 -10.950 -22.248 1.00 0.00 WT1 ATOM 3316 H1 TIP3 2732 -2.890 -11.059 -21.373 1.00 0.00 WT1 ATOM 3317 H2 TIP3 2732 -2.585 -10.319 -22.573 1.00 0.00 WT1 ATOM 3318 OH2 TIP3 2733 5.560 -4.761 22.316 1.00 0.00 WT1 ATOM 3319 H1 TIP3 2733 6.160 -4.648 21.552 1.00 0.00 WT1 ATOM 3320 H2 TIP3 2733 5.171 -5.598 22.305 1.00 0.00 WT1 ATOM 3321 OH2 TIP3 2734 6.653 -5.970 27.754 1.00 0.00 WT1 ATOM 3322 H1 TIP3 2734 7.256 -6.271 28.479 1.00 0.00 WT1 ATOM 3323 H2 TIP3 2734 6.570 -5.055 28.063 1.00 0.00 WT1 ATOM 3324 OH2 TIP3 2735 -5.154 -3.292 -27.132 1.00 0.00 WT1 ATOM 3325 H1 TIP3 2735 -4.988 -2.487 -26.632 1.00 0.00 WT1 ATOM 3326 H2 TIP3 2735 -4.623 -3.929 -26.605 1.00 0.00 WT1 ATOM 3327 OH2 TIP3 2736 12.103 -5.216 28.692 1.00 0.00 WT1 ATOM 3328 H1 TIP3 2736 11.973 -4.389 29.144 1.00 0.00 WT1 ATOM 3329 H2 TIP3 2736 13.011 -5.307 28.746 1.00 0.00 WT1 ATOM 3330 OH2 TIP3 2750 1.576 -11.795 27.081 1.00 0.00 WT1 ATOM 3331 H1 TIP3 2750 2.365 -11.668 26.618 1.00 0.00 WT1 ATOM 3332 H2 TIP3 2750 1.048 -12.268 26.375 1.00 0.00 WT1 ATOM 3333 OH2 TIP3 2752 -5.835 -10.731 21.255 1.00 0.00 WT1 ATOM 3334 H1 TIP3 2752 -5.420 -11.636 21.342 1.00 0.00 WT1 ATOM 3335 H2 TIP3 2752 -5.178 -10.247 20.722 1.00 0.00 WT1 ATOM 3336 OH2 TIP3 2753 0.174 9.197 -25.096 1.00 0.00 WT1 ATOM 3337 H1 TIP3 2753 -0.095 8.702 -25.895 1.00 0.00 WT1 ATOM 3338 H2 TIP3 2753 0.811 9.827 -25.477 1.00 0.00 WT1 ATOM 3339 OH2 TIP3 2764 0.531 -15.115 16.582 1.00 0.00 WT1 ATOM 3340 H1 TIP3 2764 1.510 -15.081 16.503 1.00 0.00 WT1 ATOM 3341 H2 TIP3 2764 0.190 -14.798 15.768 1.00 0.00 WT1 ATOM 3342 OH2 TIP3 2769 -0.467 2.946 26.404 1.00 0.00 WT1 ATOM 3343 H1 TIP3 2769 -0.727 3.887 26.313 1.00 0.00 WT1 ATOM 3344 H2 TIP3 2769 0.333 2.875 25.818 1.00 0.00 WT1 ATOM 3345 OH2 TIP3 2770 0.117 -6.673 16.185 1.00 0.00 WT1 ATOM 3346 H1 TIP3 2770 0.816 -7.336 16.401 1.00 0.00 WT1 ATOM 3347 H2 TIP3 2770 0.625 -5.841 16.204 1.00 0.00 WT1 ATOM 3348 OH2 TIP3 2775 11.177 -10.028 -27.329 1.00 0.00 WT1 ATOM 3349 H1 TIP3 2775 10.535 -9.314 -27.209 1.00 0.00 WT1 ATOM 3350 H2 TIP3 2775 12.026 -9.588 -27.325 1.00 0.00 WT1 ATOM 3351 OH2 TIP3 2777 10.036 1.079 -25.258 1.00 0.00 WT1 ATOM 3352 H1 TIP3 2777 10.367 0.980 -26.204 1.00 0.00 WT1 ATOM 3353 H2 TIP3 2777 9.183 0.616 -25.202 1.00 0.00 WT1 ATOM 3354 OH2 TIP3 2791 -5.903 -0.699 17.381 1.00 0.00 WT1 ATOM 3355 H1 TIP3 2791 -5.420 -1.221 18.038 1.00 0.00 WT1 ATOM 3356 H2 TIP3 2791 -5.306 -0.615 16.649 1.00 0.00 WT1 ATOM 3357 OH2 TIP3 2794 8.002 -9.632 27.117 1.00 0.00 WT1 ATOM 3358 H1 TIP3 2794 7.173 -9.714 27.574 1.00 0.00 WT1 ATOM 3359 H2 TIP3 2794 7.761 -9.762 26.168 1.00 0.00 WT1 ATOM 3360 OH2 TIP3 2795 -4.253 11.253 -25.163 1.00 0.00 WT1 ATOM 3361 H1 TIP3 2795 -3.319 11.138 -25.306 1.00 0.00 WT1 ATOM 3362 H2 TIP3 2795 -4.304 12.245 -25.195 1.00 0.00 WT1 ATOM 3363 OH2 TIP3 2811 6.042 5.558 21.307 1.00 0.00 WT1 ATOM 3364 H1 TIP3 2811 5.048 5.524 21.348 1.00 0.00 WT1 ATOM 3365 H2 TIP3 2811 6.299 5.686 22.258 1.00 0.00 WT1 ATOM 3366 OH2 TIP3 2812 3.728 -8.326 24.393 1.00 0.00 WT1 ATOM 3367 H1 TIP3 2812 3.335 -7.962 25.259 1.00 0.00 WT1 ATOM 3368 H2 TIP3 2812 4.675 -8.119 24.477 1.00 0.00 WT1 ATOM 3369 OH2 TIP3 2813 1.362 3.959 15.635 1.00 0.00 WT1 ATOM 3370 H1 TIP3 2813 2.128 3.856 16.241 1.00 0.00 WT1 ATOM 3371 H2 TIP3 2813 0.799 3.231 16.009 1.00 0.00 WT1 ATOM 3372 OH2 TIP3 2815 3.338 -7.782 -21.175 1.00 0.00 WT1 ATOM 3373 H1 TIP3 2815 3.834 -7.371 -21.836 1.00 0.00 WT1 ATOM 3374 H2 TIP3 2815 3.973 -8.219 -20.608 1.00 0.00 WT1 ATOM 3375 OH2 TIP3 2817 0.118 6.413 -16.578 1.00 0.00 WT1 ATOM 3376 H1 TIP3 2817 0.914 6.935 -16.677 1.00 0.00 WT1 ATOM 3377 H2 TIP3 2817 0.495 5.545 -16.679 1.00 0.00 WT1 ATOM 3378 OH2 TIP3 2832 -1.093 7.045 -23.688 1.00 0.00 WT1 ATOM 3379 H1 TIP3 2832 -0.406 7.765 -23.737 1.00 0.00 WT1 ATOM 3380 H2 TIP3 2832 -1.937 7.531 -23.888 1.00 0.00 WT1 ATOM 3381 OH2 TIP3 2833 -12.636 4.291 18.161 1.00 0.00 WT1 ATOM 3382 H1 TIP3 2833 -12.668 4.945 17.397 1.00 0.00 WT1 ATOM 3383 H2 TIP3 2833 -11.712 4.099 18.263 1.00 0.00 WT1 ATOM 3384 OH2 TIP3 2837 8.431 9.953 23.204 1.00 0.00 WT1 ATOM 3385 H1 TIP3 2837 7.618 9.649 22.719 1.00 0.00 WT1 ATOM 3386 H2 TIP3 2837 8.694 9.092 23.515 1.00 0.00 WT1 ATOM 3387 OH2 TIP3 2843 9.693 4.673 -17.508 1.00 0.00 WT1 ATOM 3388 H1 TIP3 2843 10.480 5.174 -17.499 1.00 0.00 WT1 ATOM 3389 H2 TIP3 2843 9.124 5.066 -16.818 1.00 0.00 WT1 ATOM 3390 OH2 TIP3 2849 3.453 -15.162 16.466 1.00 0.00 WT1 ATOM 3391 H1 TIP3 2849 3.499 -14.363 16.998 1.00 0.00 WT1 ATOM 3392 H2 TIP3 2849 4.395 -15.282 16.331 1.00 0.00 WT1 ATOM 3393 OH2 TIP3 2856 2.820 3.539 19.575 1.00 0.00 WT1 ATOM 3394 H1 TIP3 2856 2.172 2.800 19.723 1.00 0.00 WT1 ATOM 3395 H2 TIP3 2856 3.127 3.404 18.685 1.00 0.00 WT1 ATOM 3396 OH2 TIP3 2857 -5.099 6.819 -22.508 1.00 0.00 WT1 ATOM 3397 H1 TIP3 2857 -4.593 7.107 -23.268 1.00 0.00 WT1 ATOM 3398 H2 TIP3 2857 -5.517 7.614 -22.270 1.00 0.00 WT1 ATOM 3399 OH2 TIP3 2859 -6.168 11.098 -28.133 1.00 0.00 WT1 ATOM 3400 H1 TIP3 2859 -5.491 11.902 -28.157 1.00 0.00 WT1 ATOM 3401 H2 TIP3 2859 -6.779 11.301 -27.408 1.00 0.00 WT1 ATOM 3402 OH2 TIP3 2917 3.482 10.116 20.244 1.00 0.00 WT1 ATOM 3403 H1 TIP3 2917 3.499 11.058 20.425 1.00 0.00 WT1 ATOM 3404 H2 TIP3 2917 4.404 9.958 19.896 1.00 0.00 WT1 ATOM 3405 OH2 TIP3 2944 6.055 13.166 -25.310 1.00 0.00 WT1 ATOM 3406 H1 TIP3 2944 5.344 12.520 -25.079 1.00 0.00 WT1 ATOM 3407 H2 TIP3 2944 6.737 12.979 -24.558 1.00 0.00 WT1 ATOM 3408 OH2 TIP3 3042 -3.352 12.868 23.714 1.00 0.00 WT1 ATOM 3409 H1 TIP3 3042 -3.532 13.552 24.340 1.00 0.00 WT1 ATOM 3410 H2 TIP3 3042 -2.445 12.480 23.870 1.00 0.00 WT1 ATOM 3411 OH2 TIP3 3049 12.278 9.718 -21.386 1.00 0.00 WT1 ATOM 3412 H1 TIP3 3049 13.054 9.027 -21.338 1.00 0.00 WT1 ATOM 3413 H2 TIP3 3049 12.582 10.348 -20.712 1.00 0.00 WT1 ATOM 3414 OH2 TIP3 3073 -2.432 -13.519 -26.600 1.00 0.00 WT1 ATOM 3415 H1 TIP3 3073 -2.394 -13.449 -27.572 1.00 0.00 WT1 ATOM 3416 H2 TIP3 3073 -2.215 -14.443 -26.476 1.00 0.00 WT1 ATOM 3417 OH2 TIP3 3082 9.628 -10.100 19.403 1.00 0.00 WT1 ATOM 3418 H1 TIP3 3082 9.915 -9.416 18.837 1.00 0.00 WT1 ATOM 3419 H2 TIP3 3082 10.453 -10.424 19.825 1.00 0.00 WT1 ATOM 3420 OH2 TIP3 3091 2.885 -10.717 29.346 1.00 0.00 WT1 ATOM 3421 H1 TIP3 3091 2.907 -11.532 29.822 1.00 0.00 WT1 ATOM 3422 H2 TIP3 3091 2.365 -10.939 28.519 1.00 0.00 WT1 ATOM 3423 OH2 TIP3 3105 -3.757 -1.494 19.010 1.00 0.00 WT1 ATOM 3424 H1 TIP3 3105 -4.307 -0.946 19.631 1.00 0.00 WT1 ATOM 3425 H2 TIP3 3105 -3.930 -2.374 19.397 1.00 0.00 WT1 ATOM 3426 OH2 TIP3 3108 12.631 9.597 -26.112 1.00 0.00 WT1 ATOM 3427 H1 TIP3 3108 12.010 8.972 -26.449 1.00 0.00 WT1 ATOM 3428 H2 TIP3 3108 13.352 9.060 -25.931 1.00 0.00 WT1 ATOM 3429 OH2 TIP3 3111 6.852 -2.723 -27.070 1.00 0.00 WT1 ATOM 3430 H1 TIP3 3111 7.654 -2.223 -27.248 1.00 0.00 WT1 ATOM 3431 H2 TIP3 3111 6.238 -2.059 -26.746 1.00 0.00 WT1 ATOM 3432 OH2 TIP3 3114 6.784 -10.982 -20.491 1.00 0.00 WT1 ATOM 3433 H1 TIP3 3114 7.075 -10.410 -19.771 1.00 0.00 WT1 ATOM 3434 H2 TIP3 3114 7.561 -11.657 -20.525 1.00 0.00 WT1 ATOM 3435 OH2 TIP3 3115 6.776 -9.211 -26.748 1.00 0.00 WT1 ATOM 3436 H1 TIP3 3115 5.903 -9.482 -27.253 1.00 0.00 WT1 ATOM 3437 H2 TIP3 3115 7.376 -9.864 -27.097 1.00 0.00 WT1 ATOM 3438 OH2 TIP3 3123 -0.984 16.209 15.682 1.00 0.00 WT1 ATOM 3439 H1 TIP3 3123 -0.560 15.627 15.028 1.00 0.00 WT1 ATOM 3440 H2 TIP3 3123 -1.415 16.910 15.174 1.00 0.00 WT1 ATOM 3441 OH2 TIP3 3126 4.110 -11.323 20.614 1.00 0.00 WT1 ATOM 3442 H1 TIP3 3126 4.715 -11.852 20.175 1.00 0.00 WT1 ATOM 3443 H2 TIP3 3126 3.609 -10.920 19.827 1.00 0.00 WT1 ATOM 3444 OH2 TIP3 3132 2.975 -7.175 27.018 1.00 0.00 WT1 ATOM 3445 H1 TIP3 3132 2.511 -7.444 27.862 1.00 0.00 WT1 ATOM 3446 H2 TIP3 3132 3.909 -7.091 27.247 1.00 0.00 WT1 ATOM 3447 OH2 TIP3 3148 -4.423 -13.298 21.440 1.00 0.00 WT1 ATOM 3448 H1 TIP3 3148 -3.881 -13.548 22.204 1.00 0.00 WT1 ATOM 3449 H2 TIP3 3148 -5.042 -14.072 21.315 1.00 0.00 WT1 ATOM 3450 OH2 TIP3 3150 -2.290 -9.938 28.817 1.00 0.00 WT1 ATOM 3451 H1 TIP3 3150 -2.523 -9.050 28.717 1.00 0.00 WT1 ATOM 3452 H2 TIP3 3150 -1.381 -9.957 28.501 1.00 0.00 WT1 ATOM 3453 OH2 TIP3 3157 2.984 7.842 -21.588 1.00 0.00 WT1 ATOM 3454 H1 TIP3 3157 2.303 7.177 -21.849 1.00 0.00 WT1 ATOM 3455 H2 TIP3 3157 2.556 8.504 -20.966 1.00 0.00 WT1 ATOM 3456 OH2 TIP3 3179 -2.110 5.572 -15.185 1.00 0.00 WT1 ATOM 3457 H1 TIP3 3179 -1.446 5.862 -15.770 1.00 0.00 WT1 ATOM 3458 H2 TIP3 3179 -2.940 5.862 -15.690 1.00 0.00 WT1 ATOM 3459 OH2 TIP3 3180 4.865 -1.751 -19.868 1.00 0.00 WT1 ATOM 3460 H1 TIP3 3180 5.399 -1.939 -19.051 1.00 0.00 WT1 ATOM 3461 H2 TIP3 3180 5.337 -2.269 -20.615 1.00 0.00 WT1 ATOM 3462 OH2 TIP3 3190 -0.226 15.227 18.163 1.00 0.00 WT1 ATOM 3463 H1 TIP3 3190 -0.533 15.702 17.370 1.00 0.00 WT1 ATOM 3464 H2 TIP3 3190 -1.056 14.712 18.410 1.00 0.00 WT1 ATOM 3465 OH2 TIP3 3191 0.005 -8.032 22.389 1.00 0.00 WT1 ATOM 3466 H1 TIP3 3191 0.199 -7.282 21.868 1.00 0.00 WT1 ATOM 3467 H2 TIP3 3191 0.934 -8.338 22.506 1.00 0.00 WT1 ATOM 3468 OH2 TIP3 3192 0.713 -0.848 -26.521 1.00 0.00 WT1 ATOM 3469 H1 TIP3 3192 0.175 -0.728 -27.290 1.00 0.00 WT1 ATOM 3470 H2 TIP3 3192 0.176 -1.510 -26.005 1.00 0.00 WT1 ATOM 3471 OH2 TIP3 3194 9.942 1.404 24.312 1.00 0.00 WT1 ATOM 3472 H1 TIP3 3194 9.200 1.721 23.788 1.00 0.00 WT1 ATOM 3473 H2 TIP3 3194 9.913 2.056 25.062 1.00 0.00 WT1 ATOM 3474 OH2 TIP3 3195 3.445 7.279 -15.285 1.00 0.00 WT1 ATOM 3475 H1 TIP3 3195 3.116 7.499 -16.221 1.00 0.00 WT1 ATOM 3476 H2 TIP3 3195 3.951 6.435 -15.455 1.00 0.00 WT1 ATOM 3477 OH2 TIP3 3196 2.197 14.935 -17.811 1.00 0.00 WT1 ATOM 3478 H1 TIP3 3196 3.024 14.818 -17.212 1.00 0.00 WT1 ATOM 3479 H2 TIP3 3196 2.137 14.092 -18.354 1.00 0.00 WT1 ATOM 3480 OH2 TIP3 3197 -5.745 13.576 -20.199 1.00 0.00 WT1 ATOM 3481 H1 TIP3 3197 -4.811 13.670 -20.103 1.00 0.00 WT1 ATOM 3482 H2 TIP3 3197 -5.798 12.738 -19.696 1.00 0.00 WT1 ATOM 3483 OH2 TIP3 3206 1.488 -1.717 14.732 1.00 0.00 WT1 ATOM 3484 H1 TIP3 3206 1.304 -1.160 13.969 1.00 0.00 WT1 ATOM 3485 H2 TIP3 3206 1.211 -1.215 15.488 1.00 0.00 WT1 ATOM 3486 OH2 TIP3 3208 -1.022 9.614 -29.490 1.00 0.00 WT1 ATOM 3487 H1 TIP3 3208 -1.049 9.052 -28.686 1.00 0.00 WT1 ATOM 3488 H2 TIP3 3208 -1.680 10.306 -29.281 1.00 0.00 WT1 ATOM 3489 OH2 TIP3 3211 11.934 9.426 21.867 1.00 0.00 WT1 ATOM 3490 H1 TIP3 3211 11.400 9.008 22.518 1.00 0.00 WT1 ATOM 3491 H2 TIP3 3211 12.799 8.922 21.889 1.00 0.00 WT1 ATOM 3492 OH2 TIP3 3213 10.086 5.435 22.175 1.00 0.00 WT1 ATOM 3493 H1 TIP3 3213 10.871 6.009 22.165 1.00 0.00 WT1 ATOM 3494 H2 TIP3 3213 10.264 4.782 22.859 1.00 0.00 WT1 ATOM 3495 OH2 TIP3 3214 6.695 -3.939 -29.689 1.00 0.00 WT1 ATOM 3496 H1 TIP3 3214 6.028 -3.285 -29.897 1.00 0.00 WT1 ATOM 3497 H2 TIP3 3214 6.419 -4.373 -28.847 1.00 0.00 WT1 ATOM 3498 OH2 TIP3 3215 -0.075 1.353 -18.149 1.00 0.00 WT1 ATOM 3499 H1 TIP3 3215 -0.108 0.539 -18.718 1.00 0.00 WT1 ATOM 3500 H2 TIP3 3215 -0.787 1.212 -17.512 1.00 0.00 WT1 ATOM 3501 OH2 TIP3 3232 2.961 -1.186 25.115 1.00 0.00 WT1 ATOM 3502 H1 TIP3 3232 3.896 -0.943 25.076 1.00 0.00 WT1 ATOM 3503 H2 TIP3 3232 2.522 -0.416 24.712 1.00 0.00 WT1 ATOM 3504 OH2 TIP3 3234 -3.435 3.789 -20.942 1.00 0.00 WT1 ATOM 3505 H1 TIP3 3234 -4.160 3.128 -20.830 1.00 0.00 WT1 ATOM 3506 H2 TIP3 3234 -2.742 3.509 -20.324 1.00 0.00 WT1 ATOM 3507 OH2 TIP3 3237 4.307 2.714 -18.237 1.00 0.00 WT1 ATOM 3508 H1 TIP3 3237 4.617 1.919 -18.704 1.00 0.00 WT1 ATOM 3509 H2 TIP3 3237 4.978 2.755 -17.503 1.00 0.00 WT1 ATOM 3510 OH2 TIP3 3241 -10.633 -8.909 -22.206 1.00 0.00 WT1 ATOM 3511 H1 TIP3 3241 -10.980 -9.572 -21.510 1.00 0.00 WT1 ATOM 3512 H2 TIP3 3241 -10.753 -8.035 -21.814 1.00 0.00 WT1 ATOM 3513 OH2 TIP3 3242 5.261 -2.414 -16.684 1.00 0.00 WT1 ATOM 3514 H1 TIP3 3242 5.258 -3.321 -16.404 1.00 0.00 WT1 ATOM 3515 H2 TIP3 3242 6.018 -2.461 -17.261 1.00 0.00 WT1 ATOM 3516 OH2 TIP3 3244 0.486 3.562 -24.514 1.00 0.00 WT1 ATOM 3517 H1 TIP3 3244 1.065 3.489 -23.744 1.00 0.00 WT1 ATOM 3518 H2 TIP3 3244 1.116 3.798 -25.219 1.00 0.00 WT1 ATOM 3519 OH2 TIP3 3252 -1.525 10.286 22.206 1.00 0.00 WT1 ATOM 3520 H1 TIP3 3252 -1.862 10.639 21.363 1.00 0.00 WT1 ATOM 3521 H2 TIP3 3252 -1.459 11.110 22.790 1.00 0.00 WT1 ATOM 3522 OH2 TIP3 3254 2.510 11.283 22.750 1.00 0.00 WT1 ATOM 3523 H1 TIP3 3254 3.369 11.208 22.214 1.00 0.00 WT1 ATOM 3524 H2 TIP3 3254 2.239 12.144 22.505 1.00 0.00 WT1 ATOM 3525 OH2 TIP3 3258 3.538 -0.578 -28.540 1.00 0.00 WT1 ATOM 3526 H1 TIP3 3258 3.802 -0.087 -27.714 1.00 0.00 WT1 ATOM 3527 H2 TIP3 3258 2.844 0.003 -28.907 1.00 0.00 WT1 ATOM 3528 OH2 TIP3 3259 -4.265 -7.464 21.747 1.00 0.00 WT1 ATOM 3529 H1 TIP3 3259 -3.747 -8.105 22.191 1.00 0.00 WT1 ATOM 3530 H2 TIP3 3259 -4.332 -7.777 20.846 1.00 0.00 WT1 ATOM 3531 OH2 TIP3 3260 -0.751 15.077 25.184 1.00 0.00 WT1 ATOM 3532 H1 TIP3 3260 0.032 14.824 25.817 1.00 0.00 WT1 ATOM 3533 H2 TIP3 3260 -0.353 15.372 24.334 1.00 0.00 WT1 ATOM 3534 OH2 TIP3 3262 -5.480 2.053 -20.990 1.00 0.00 WT1 ATOM 3535 H1 TIP3 3262 -5.699 1.158 -20.674 1.00 0.00 WT1 ATOM 3536 H2 TIP3 3262 -5.738 1.928 -21.904 1.00 0.00 WT1 ATOM 3537 OH2 TIP3 3274 7.957 4.786 29.610 1.00 0.00 WT1 ATOM 3538 H1 TIP3 3274 8.350 4.023 30.062 1.00 0.00 WT1 ATOM 3539 H2 TIP3 3274 8.411 4.788 28.822 1.00 0.00 WT1 ATOM 3540 OH2 TIP3 3280 6.716 1.775 -24.965 1.00 0.00 WT1 ATOM 3541 H1 TIP3 3280 6.848 2.426 -24.244 1.00 0.00 WT1 ATOM 3542 H2 TIP3 3280 7.532 1.278 -24.999 1.00 0.00 WT1 ATOM 3543 OH2 TIP3 3282 -4.824 -13.061 -22.902 1.00 0.00 WT1 ATOM 3544 H1 TIP3 3282 -4.114 -13.528 -23.485 1.00 0.00 WT1 ATOM 3545 H2 TIP3 3282 -4.284 -12.498 -22.317 1.00 0.00 WT1 ATOM 3546 OH2 TIP3 3300 5.982 8.850 25.304 1.00 0.00 WT1 ATOM 3547 H1 TIP3 3300 5.893 9.827 25.427 1.00 0.00 WT1 ATOM 3548 H2 TIP3 3300 5.552 8.643 24.400 1.00 0.00 WT1 ATOM 3549 OH2 TIP3 3302 5.124 7.081 -29.224 1.00 0.00 WT1 ATOM 3550 H1 TIP3 3302 5.176 6.147 -29.505 1.00 0.00 WT1 ATOM 3551 H2 TIP3 3302 4.492 7.108 -28.576 1.00 0.00 WT1 ATOM 3552 OH2 TIP3 3316 5.643 11.684 25.268 1.00 0.00 WT1 ATOM 3553 H1 TIP3 3316 5.372 12.251 25.971 1.00 0.00 WT1 ATOM 3554 H2 TIP3 3316 6.472 11.907 24.998 1.00 0.00 WT1 ATOM 3555 OH2 TIP3 3324 3.122 10.317 25.231 1.00 0.00 WT1 ATOM 3556 H1 TIP3 3324 2.869 10.667 24.410 1.00 0.00 WT1 ATOM 3557 H2 TIP3 3324 4.027 10.620 25.376 1.00 0.00 WT1 ATOM 3558 OH2 TIP3 3341 -14.397 -7.471 -23.210 1.00 0.00 WT1 ATOM 3559 H1 TIP3 3341 -14.155 -7.220 -22.337 1.00 0.00 WT1 ATOM 3560 H2 TIP3 3341 -13.905 -8.294 -23.362 1.00 0.00 WT1 ATOM 3561 OH2 TIP3 3342 -0.660 14.335 -25.617 1.00 0.00 WT1 ATOM 3562 H1 TIP3 3342 -0.236 14.346 -26.477 1.00 0.00 WT1 ATOM 3563 H2 TIP3 3342 0.101 14.527 -25.042 1.00 0.00 WT1 ATOM 3564 OH2 TIP3 3408 7.418 12.383 -22.947 1.00 0.00 WT1 ATOM 3565 H1 TIP3 3408 7.540 11.502 -23.410 1.00 0.00 WT1 ATOM 3566 H2 TIP3 3408 8.416 12.670 -22.749 1.00 0.00 WT1 ATOM 3567 OH2 TIP3 3507 0.092 -9.407 27.756 1.00 0.00 WT1 ATOM 3568 H1 TIP3 3507 0.667 -10.130 27.409 1.00 0.00 WT1 ATOM 3569 H2 TIP3 3507 0.796 -8.804 28.090 1.00 0.00 WT1 ATOM 3570 OH2 TIP3 3527 -0.253 -8.309 -26.711 1.00 0.00 WT1 ATOM 3571 H1 TIP3 3527 0.432 -8.947 -26.720 1.00 0.00 WT1 ATOM 3572 H2 TIP3 3527 -1.032 -8.854 -26.919 1.00 0.00 WT1 ATOM 3573 OH2 TIP3 3534 6.101 -8.475 -23.983 1.00 0.00 WT1 ATOM 3574 H1 TIP3 3534 5.584 -7.656 -24.201 1.00 0.00 WT1 ATOM 3575 H2 TIP3 3534 6.299 -8.868 -24.807 1.00 0.00 WT1 ATOM 3576 OH2 TIP3 3545 -8.674 -10.459 -26.792 1.00 0.00 WT1 ATOM 3577 H1 TIP3 3545 -7.778 -10.475 -27.180 1.00 0.00 WT1 ATOM 3578 H2 TIP3 3545 -8.576 -11.211 -26.145 1.00 0.00 WT1 ATOM 3579 OH2 TIP3 3548 2.683 -6.199 -25.980 1.00 0.00 WT1 ATOM 3580 H1 TIP3 3548 2.778 -6.879 -25.306 1.00 0.00 WT1 ATOM 3581 H2 TIP3 3548 3.186 -5.463 -25.655 1.00 0.00 WT1 ATOM 3582 OH2 TIP3 3554 4.421 -9.701 -28.089 1.00 0.00 WT1 ATOM 3583 H1 TIP3 3554 3.603 -10.159 -28.243 1.00 0.00 WT1 ATOM 3584 H2 TIP3 3554 4.136 -8.753 -28.143 1.00 0.00 WT1 ATOM 3585 OH2 TIP3 3566 3.048 -0.145 20.512 1.00 0.00 WT1 ATOM 3586 H1 TIP3 3566 2.906 -0.764 19.701 1.00 0.00 WT1 ATOM 3587 H2 TIP3 3566 3.626 -0.743 21.062 1.00 0.00 WT1 ATOM 3588 OH2 TIP3 3571 4.337 2.035 23.283 1.00 0.00 WT1 ATOM 3589 H1 TIP3 3571 5.045 1.916 22.555 1.00 0.00 WT1 ATOM 3590 H2 TIP3 3571 4.093 2.989 23.186 1.00 0.00 WT1 ATOM 3591 OH2 TIP3 3573 9.564 -10.122 29.225 1.00 0.00 WT1 ATOM 3592 H1 TIP3 3573 10.491 -9.875 29.187 1.00 0.00 WT1 ATOM 3593 H2 TIP3 3573 9.321 -9.912 28.304 1.00 0.00 WT1 ATOM 3594 OH2 TIP3 3575 1.871 -0.128 -21.482 1.00 0.00 WT1 ATOM 3595 H1 TIP3 3575 0.932 -0.215 -21.684 1.00 0.00 WT1 ATOM 3596 H2 TIP3 3575 1.826 0.791 -21.154 1.00 0.00 WT1 ATOM 3597 OH2 TIP3 3588 11.128 -5.658 23.580 1.00 0.00 WT1 ATOM 3598 H1 TIP3 3588 11.778 -5.497 24.273 1.00 0.00 WT1 ATOM 3599 H2 TIP3 3588 11.164 -4.813 23.126 1.00 0.00 WT1 ATOM 3600 OH2 TIP3 3589 1.856 0.930 23.439 1.00 0.00 WT1 ATOM 3601 H1 TIP3 3589 2.727 1.186 23.039 1.00 0.00 WT1 ATOM 3602 H2 TIP3 3589 1.444 0.410 22.804 1.00 0.00 WT1 ATOM 3603 OH2 TIP3 3590 7.824 -1.484 25.533 1.00 0.00 WT1 ATOM 3604 H1 TIP3 3590 7.138 -1.371 26.177 1.00 0.00 WT1 ATOM 3605 H2 TIP3 3590 7.608 -2.344 25.136 1.00 0.00 WT1 ATOM 3606 OH2 TIP3 3595 4.900 -6.113 -24.039 1.00 0.00 WT1 ATOM 3607 H1 TIP3 3595 4.292 -5.591 -23.441 1.00 0.00 WT1 ATOM 3608 H2 TIP3 3595 5.072 -5.416 -24.728 1.00 0.00 WT1 ATOM 3609 OH2 TIP3 3596 -10.485 0.920 -27.500 1.00 0.00 WT1 ATOM 3610 H1 TIP3 3596 -10.556 1.690 -28.073 1.00 0.00 WT1 ATOM 3611 H2 TIP3 3596 -9.704 0.476 -27.748 1.00 0.00 WT1 ATOM 3612 OH2 TIP3 3597 2.064 2.224 -19.776 1.00 0.00 WT1 ATOM 3613 H1 TIP3 3597 2.855 2.357 -19.300 1.00 0.00 WT1 ATOM 3614 H2 TIP3 3597 1.452 1.987 -19.136 1.00 0.00 WT1 ATOM 3615 OH2 TIP3 3609 6.263 0.708 15.415 1.00 0.00 WT1 ATOM 3616 H1 TIP3 3609 5.978 1.511 15.858 1.00 0.00 WT1 ATOM 3617 H2 TIP3 3609 5.649 0.687 14.660 1.00 0.00 WT1 ATOM 3618 OH2 TIP3 3610 7.726 -10.107 21.573 1.00 0.00 WT1 ATOM 3619 H1 TIP3 3610 8.059 -10.184 22.527 1.00 0.00 WT1 ATOM 3620 H2 TIP3 3610 8.550 -10.277 21.084 1.00 0.00 WT1 ATOM 3621 OH2 TIP3 3613 0.946 -2.589 23.910 1.00 0.00 WT1 ATOM 3622 H1 TIP3 3613 1.927 -2.534 24.094 1.00 0.00 WT1 ATOM 3623 H2 TIP3 3613 0.567 -1.909 24.526 1.00 0.00 WT1 ATOM 3624 OH2 TIP3 3614 4.360 -1.048 -22.969 1.00 0.00 WT1 ATOM 3625 H1 TIP3 3614 3.468 -1.084 -22.630 1.00 0.00 WT1 ATOM 3626 H2 TIP3 3614 4.946 -1.373 -22.267 1.00 0.00 WT1 ATOM 3627 OH2 TIP3 3615 5.902 -3.417 -21.682 1.00 0.00 WT1 ATOM 3628 H1 TIP3 3615 6.208 -3.349 -22.604 1.00 0.00 WT1 ATOM 3629 H2 TIP3 3615 5.000 -3.846 -21.774 1.00 0.00 WT1 ATOM 3630 OH2 TIP3 3619 -1.206 -13.739 -22.180 1.00 0.00 WT1 ATOM 3631 H1 TIP3 3619 -1.691 -13.547 -21.329 1.00 0.00 WT1 ATOM 3632 H2 TIP3 3619 -0.528 -14.363 -22.023 1.00 0.00 WT1 ATOM 3633 OH2 TIP3 3630 6.418 -7.623 25.061 1.00 0.00 WT1 ATOM 3634 H1 TIP3 3630 7.306 -7.484 24.602 1.00 0.00 WT1 ATOM 3635 H2 TIP3 3630 6.574 -7.149 25.937 1.00 0.00 WT1 ATOM 3636 OH2 TIP3 3632 0.849 1.254 19.504 1.00 0.00 WT1 ATOM 3637 H1 TIP3 3632 0.213 0.792 19.946 1.00 0.00 WT1 ATOM 3638 H2 TIP3 3632 1.676 0.746 19.647 1.00 0.00 WT1 ATOM 3639 OH2 TIP3 3633 10.982 3.738 -26.516 1.00 0.00 WT1 ATOM 3640 H1 TIP3 3633 11.123 3.156 -25.814 1.00 0.00 WT1 ATOM 3641 H2 TIP3 3633 11.829 4.058 -26.849 1.00 0.00 WT1 ATOM 3642 OH2 TIP3 3634 8.928 10.542 -20.910 1.00 0.00 WT1 ATOM 3643 H1 TIP3 3634 9.152 10.790 -20.034 1.00 0.00 WT1 ATOM 3644 H2 TIP3 3634 9.603 10.963 -21.453 1.00 0.00 WT1 ATOM 3645 OH2 TIP3 3635 -3.217 -5.061 18.332 1.00 0.00 WT1 ATOM 3646 H1 TIP3 3635 -3.374 -4.346 17.695 1.00 0.00 WT1 ATOM 3647 H2 TIP3 3635 -3.706 -5.798 17.962 1.00 0.00 WT1 ATOM 3648 OH2 TIP3 3638 13.139 4.524 -22.414 1.00 0.00 WT1 ATOM 3649 H1 TIP3 3638 12.316 4.918 -22.745 1.00 0.00 WT1 ATOM 3650 H2 TIP3 3638 13.689 4.677 -23.161 1.00 0.00 WT1 ATOM 3651 OH2 TIP3 3641 -1.364 -3.901 -22.638 1.00 0.00 WT1 ATOM 3652 H1 TIP3 3641 -0.414 -3.894 -22.543 1.00 0.00 WT1 ATOM 3653 H2 TIP3 3641 -1.707 -3.695 -21.740 1.00 0.00 WT1 ATOM 3654 OH2 TIP3 3652 1.654 -4.300 15.920 1.00 0.00 WT1 ATOM 3655 H1 TIP3 3652 2.423 -4.780 15.567 1.00 0.00 WT1 ATOM 3656 H2 TIP3 3652 1.658 -3.541 15.412 1.00 0.00 WT1 ATOM 3657 OH2 TIP3 3654 0.318 5.235 24.527 1.00 0.00 WT1 ATOM 3658 H1 TIP3 3654 -0.637 5.529 24.608 1.00 0.00 WT1 ATOM 3659 H2 TIP3 3654 0.768 5.991 24.948 1.00 0.00 WT1 ATOM 3660 OH2 TIP3 3656 -5.420 2.928 16.823 1.00 0.00 WT1 ATOM 3661 H1 TIP3 3656 -5.523 2.801 17.799 1.00 0.00 WT1 ATOM 3662 H2 TIP3 3656 -6.308 3.165 16.589 1.00 0.00 WT1 ATOM 3663 OH2 TIP3 3659 -0.303 14.164 -19.770 1.00 0.00 WT1 ATOM 3664 H1 TIP3 3659 -0.499 15.094 -19.936 1.00 0.00 WT1 ATOM 3665 H2 TIP3 3659 -0.209 14.165 -18.817 1.00 0.00 WT1 ATOM 3666 OH2 TIP3 3660 -2.916 -9.493 -26.990 1.00 0.00 WT1 ATOM 3667 H1 TIP3 3660 -3.278 -9.006 -26.206 1.00 0.00 WT1 ATOM 3668 H2 TIP3 3660 -3.211 -9.121 -27.820 1.00 0.00 WT1 ATOM 3669 OH2 TIP3 3670 -3.405 14.966 21.406 1.00 0.00 WT1 ATOM 3670 H1 TIP3 3670 -3.229 15.742 21.933 1.00 0.00 WT1 ATOM 3671 H2 TIP3 3670 -3.163 14.245 22.048 1.00 0.00 WT1 ATOM 3672 OH2 TIP3 3673 5.035 0.921 18.067 1.00 0.00 WT1 ATOM 3673 H1 TIP3 3673 5.980 0.704 18.279 1.00 0.00 WT1 ATOM 3674 H2 TIP3 3673 4.602 0.026 17.777 1.00 0.00 WT1 ATOM 3675 OH2 TIP3 3677 0.788 14.847 -27.901 1.00 0.00 WT1 ATOM 3676 H1 TIP3 3677 0.959 14.113 -28.556 1.00 0.00 WT1 ATOM 3677 H2 TIP3 3677 1.665 15.225 -27.730 1.00 0.00 WT1 ATOM 3678 OH2 TIP3 3691 8.226 -1.112 22.158 1.00 0.00 WT1 ATOM 3679 H1 TIP3 3691 8.141 -1.668 22.869 1.00 0.00 WT1 ATOM 3680 H2 TIP3 3691 8.341 -0.252 22.624 1.00 0.00 WT1 ATOM 3681 OH2 TIP3 3697 -1.281 10.303 -22.588 1.00 0.00 WT1 ATOM 3682 H1 TIP3 3697 -0.916 11.215 -22.460 1.00 0.00 WT1 ATOM 3683 H2 TIP3 3697 -0.921 10.073 -23.455 1.00 0.00 WT1 ATOM 3684 OH2 TIP3 3698 1.636 13.311 29.744 1.00 0.00 WT1 ATOM 3685 H1 TIP3 3698 1.687 13.016 28.801 1.00 0.00 WT1 ATOM 3686 H2 TIP3 3698 2.381 12.861 30.129 1.00 0.00 WT1 ATOM 3687 OH2 TIP3 3700 -12.725 9.244 -20.938 1.00 0.00 WT1 ATOM 3688 H1 TIP3 3700 -11.977 8.918 -21.355 1.00 0.00 WT1 ATOM 3689 H2 TIP3 3700 -12.605 9.090 -20.034 1.00 0.00 WT1 ATOM 3690 OH2 TIP3 3711 -5.093 -13.018 17.169 1.00 0.00 WT1 ATOM 3691 H1 TIP3 3711 -4.662 -13.671 17.738 1.00 0.00 WT1 ATOM 3692 H2 TIP3 3711 -5.422 -13.554 16.449 1.00 0.00 WT1 ATOM 3693 OH2 TIP3 3720 3.437 11.113 -21.691 1.00 0.00 WT1 ATOM 3694 H1 TIP3 3720 3.027 10.496 -21.090 1.00 0.00 WT1 ATOM 3695 H2 TIP3 3720 4.408 10.931 -21.562 1.00 0.00 WT1 ATOM 3696 OH2 TIP3 3722 8.346 10.226 -24.409 1.00 0.00 WT1 ATOM 3697 H1 TIP3 3722 9.283 10.111 -24.141 1.00 0.00 WT1 ATOM 3698 H2 TIP3 3722 8.463 10.787 -25.210 1.00 0.00 WT1 ATOM 3699 OH2 TIP3 3723 -6.290 5.232 -20.815 1.00 0.00 WT1 ATOM 3700 H1 TIP3 3723 -5.867 4.356 -20.712 1.00 0.00 WT1 ATOM 3701 H2 TIP3 3723 -5.764 5.723 -21.517 1.00 0.00 WT1 ATOM 3702 OH2 TIP3 3740 4.467 10.691 -24.480 1.00 0.00 WT1 ATOM 3703 H1 TIP3 3740 4.592 9.746 -24.279 1.00 0.00 WT1 ATOM 3704 H2 TIP3 3740 3.762 11.001 -23.852 1.00 0.00 WT1 ATOM 3705 OH2 TIP3 3759 5.318 6.608 27.055 1.00 0.00 WT1 ATOM 3706 H1 TIP3 3759 5.708 7.481 26.709 1.00 0.00 WT1 ATOM 3707 H2 TIP3 3759 4.713 6.875 27.689 1.00 0.00 WT1 ATOM 3708 OH2 TIP3 3760 2.571 15.570 23.683 1.00 0.00 WT1 ATOM 3709 H1 TIP3 3760 2.349 15.124 22.867 1.00 0.00 WT1 ATOM 3710 H2 TIP3 3760 1.889 16.248 23.825 1.00 0.00 WT1 ATOM 3711 OH2 TIP3 3781 -2.329 13.556 18.568 1.00 0.00 WT1 ATOM 3712 H1 TIP3 3781 -2.361 13.081 19.379 1.00 0.00 WT1 ATOM 3713 H2 TIP3 3781 -2.449 12.845 17.934 1.00 0.00 WT1 ATOM 3714 OH2 TIP3 3821 14.462 6.985 -27.951 1.00 0.00 WT1 ATOM 3715 H1 TIP3 3821 15.144 6.863 -28.560 1.00 0.00 WT1 ATOM 3716 H2 TIP3 3821 14.790 7.506 -27.154 1.00 0.00 WT1 ATOM 3717 OH2 TIP3 3822 8.257 12.663 24.017 1.00 0.00 WT1 ATOM 3718 H1 TIP3 3822 8.367 11.772 23.776 1.00 0.00 WT1 ATOM 3719 H2 TIP3 3822 7.764 12.992 23.240 1.00 0.00 WT1 ATOM 3720 OH2 TIP3 3931 12.372 -7.084 -26.626 1.00 0.00 WT1 ATOM 3721 H1 TIP3 3931 12.888 -7.723 -27.203 1.00 0.00 WT1 ATOM 3722 H2 TIP3 3931 11.513 -6.987 -27.019 1.00 0.00 WT1 ATOM 3723 OH2 TIP3 3933 2.652 -8.870 -24.143 1.00 0.00 WT1 ATOM 3724 H1 TIP3 3933 2.750 -9.493 -24.857 1.00 0.00 WT1 ATOM 3725 H2 TIP3 3933 2.859 -9.471 -23.408 1.00 0.00 WT1 ATOM 3726 OH2 TIP3 3950 4.006 -14.541 26.442 1.00 0.00 WT1 ATOM 3727 H1 TIP3 3950 3.201 -14.802 26.970 1.00 0.00 WT1 ATOM 3728 H2 TIP3 3950 4.688 -15.069 26.952 1.00 0.00 WT1 ATOM 3729 OH2 TIP3 3976 1.092 -7.471 -18.638 1.00 0.00 WT1 ATOM 3730 H1 TIP3 3976 1.774 -6.812 -18.281 1.00 0.00 WT1 ATOM 3731 H2 TIP3 3976 0.275 -7.235 -18.119 1.00 0.00 WT1 ATOM 3732 OH2 TIP3 3985 2.367 -13.121 22.954 1.00 0.00 WT1 ATOM 3733 H1 TIP3 3985 2.556 -12.181 22.775 1.00 0.00 WT1 ATOM 3734 H2 TIP3 3985 2.659 -13.557 22.195 1.00 0.00 WT1 ATOM 3735 OH2 TIP3 3989 2.943 -12.908 17.902 1.00 0.00 WT1 ATOM 3736 H1 TIP3 3989 2.357 -12.994 18.699 1.00 0.00 WT1 ATOM 3737 H2 TIP3 3989 2.865 -11.976 17.670 1.00 0.00 WT1 ATOM 3738 OH2 TIP3 3990 -2.184 -9.582 22.322 1.00 0.00 WT1 ATOM 3739 H1 TIP3 3990 -1.458 -8.929 22.434 1.00 0.00 WT1 ATOM 3740 H2 TIP3 3990 -1.726 -10.444 22.085 1.00 0.00 WT1 ATOM 3741 OH2 TIP3 3991 13.150 8.510 -17.989 1.00 0.00 WT1 ATOM 3742 H1 TIP3 3991 13.889 9.102 -17.988 1.00 0.00 WT1 ATOM 3743 H2 TIP3 3991 13.559 7.618 -17.808 1.00 0.00 WT1 ATOM 3744 OH2 TIP3 3995 2.469 -2.835 -16.616 1.00 0.00 WT1 ATOM 3745 H1 TIP3 3995 2.431 -2.460 -17.506 1.00 0.00 WT1 ATOM 3746 H2 TIP3 3995 3.241 -2.415 -16.243 1.00 0.00 WT1 ATOM 3747 OH2 TIP3 4010 13.789 4.441 -27.102 1.00 0.00 WT1 ATOM 3748 H1 TIP3 4010 13.948 5.269 -27.612 1.00 0.00 WT1 ATOM 3749 H2 TIP3 4010 14.071 4.761 -26.174 1.00 0.00 WT1 ATOM 3750 OH2 TIP3 4016 4.881 -4.310 -25.949 1.00 0.00 WT1 ATOM 3751 H1 TIP3 4016 5.680 -4.091 -26.519 1.00 0.00 WT1 ATOM 3752 H2 TIP3 4016 4.209 -3.772 -26.239 1.00 0.00 WT1 ATOM 3753 OH2 TIP3 4017 4.997 -10.350 -22.493 1.00 0.00 WT1 ATOM 3754 H1 TIP3 4017 5.520 -10.287 -21.665 1.00 0.00 WT1 ATOM 3755 H2 TIP3 4017 5.375 -9.686 -22.995 1.00 0.00 WT1 ATOM 3756 OH2 TIP3 4027 -1.829 -7.928 26.134 1.00 0.00 WT1 ATOM 3757 H1 TIP3 4027 -2.215 -7.685 27.012 1.00 0.00 WT1 ATOM 3758 H2 TIP3 4027 -0.902 -8.144 26.338 1.00 0.00 WT1 ATOM 3759 OH2 TIP3 4034 6.166 -12.238 22.030 1.00 0.00 WT1 ATOM 3760 H1 TIP3 4034 5.394 -11.779 21.612 1.00 0.00 WT1 ATOM 3761 H2 TIP3 4034 6.841 -11.639 21.804 1.00 0.00 WT1 ATOM 3762 OH2 TIP3 4035 -4.305 14.030 -24.795 1.00 0.00 WT1 ATOM 3763 H1 TIP3 4035 -5.024 14.044 -24.083 1.00 0.00 WT1 ATOM 3764 H2 TIP3 4035 -4.707 14.540 -25.442 1.00 0.00 WT1 ATOM 3765 OH2 TIP3 4036 9.139 11.091 -18.037 1.00 0.00 WT1 ATOM 3766 H1 TIP3 4036 8.264 10.911 -17.675 1.00 0.00 WT1 ATOM 3767 H2 TIP3 4036 9.765 10.760 -17.294 1.00 0.00 WT1 ATOM 3768 OH2 TIP3 4054 12.144 6.027 -16.507 1.00 0.00 WT1 ATOM 3769 H1 TIP3 4054 13.105 6.125 -16.558 1.00 0.00 WT1 ATOM 3770 H2 TIP3 4054 11.880 6.699 -15.782 1.00 0.00 WT1 ATOM 3771 OH2 TIP3 4074 -11.846 -2.071 -24.877 1.00 0.00 WT1 ATOM 3772 H1 TIP3 4074 -12.591 -2.481 -24.397 1.00 0.00 WT1 ATOM 3773 H2 TIP3 4074 -11.789 -2.665 -25.655 1.00 0.00 WT1 ATOM 3774 OH2 TIP3 4076 7.170 -3.443 -24.053 1.00 0.00 WT1 ATOM 3775 H1 TIP3 4076 6.897 -3.777 -24.920 1.00 0.00 WT1 ATOM 3776 H2 TIP3 4076 8.088 -3.821 -23.983 1.00 0.00 WT1 ATOM 3777 OH2 TIP3 4114 0.592 11.440 20.011 1.00 0.00 WT1 ATOM 3778 H1 TIP3 4114 1.130 11.683 19.303 1.00 0.00 WT1 ATOM 3779 H2 TIP3 4114 0.067 10.674 19.604 1.00 0.00 WT1 ATOM 3780 OH2 TIP3 4117 0.744 5.282 21.959 1.00 0.00 WT1 ATOM 3781 H1 TIP3 4117 0.076 4.733 21.477 1.00 0.00 WT1 ATOM 3782 H2 TIP3 4117 0.558 5.073 22.920 1.00 0.00 WT1 ATOM 3783 OH2 TIP3 4118 -2.191 6.497 24.873 1.00 0.00 WT1 ATOM 3784 H1 TIP3 4118 -2.318 7.466 24.844 1.00 0.00 WT1 ATOM 3785 H2 TIP3 4118 -2.063 6.247 25.822 1.00 0.00 WT1 ATOM 3786 OH2 TIP3 4121 8.191 -0.717 -24.632 1.00 0.00 WT1 ATOM 3787 H1 TIP3 4121 8.717 -0.988 -23.838 1.00 0.00 WT1 ATOM 3788 H2 TIP3 4121 7.567 -1.466 -24.689 1.00 0.00 WT1 ATOM 3789 OH2 TIP3 4133 4.246 -7.145 21.937 1.00 0.00 WT1 ATOM 3790 H1 TIP3 4133 3.905 -7.621 22.734 1.00 0.00 WT1 ATOM 3791 H2 TIP3 4133 3.436 -6.882 21.521 1.00 0.00 WT1 ATOM 3792 OH2 TIP3 4136 13.654 5.141 28.668 1.00 0.00 WT1 ATOM 3793 H1 TIP3 4136 13.491 4.519 29.340 1.00 0.00 WT1 ATOM 3794 H2 TIP3 4136 12.730 5.158 28.250 1.00 0.00 WT1 ATOM 3795 OH2 TIP3 4139 7.596 8.014 -22.873 1.00 0.00 WT1 ATOM 3796 H1 TIP3 4139 7.932 8.777 -23.389 1.00 0.00 WT1 ATOM 3797 H2 TIP3 4139 7.775 7.251 -23.437 1.00 0.00 WT1 ATOM 3798 OH2 TIP3 4141 2.534 3.991 -26.299 1.00 0.00 WT1 ATOM 3799 H1 TIP3 4141 2.048 4.475 -26.999 1.00 0.00 WT1 ATOM 3800 H2 TIP3 4141 3.218 4.712 -26.106 1.00 0.00 WT1 ATOM 3801 OH2 TIP3 4143 6.115 4.947 -20.963 1.00 0.00 WT1 ATOM 3802 H1 TIP3 4143 5.776 4.560 -21.773 1.00 0.00 WT1 ATOM 3803 H2 TIP3 4143 5.445 4.784 -20.207 1.00 0.00 WT1 ATOM 3804 OH2 TIP3 4155 -12.948 7.264 26.676 1.00 0.00 WT1 ATOM 3805 H1 TIP3 4155 -13.839 6.911 26.784 1.00 0.00 WT1 ATOM 3806 H2 TIP3 4155 -12.769 7.179 25.708 1.00 0.00 WT1 ATOM 3807 OH2 TIP3 4157 6.636 7.254 -26.144 1.00 0.00 WT1 ATOM 3808 H1 TIP3 4157 7.006 8.092 -25.914 1.00 0.00 WT1 ATOM 3809 H2 TIP3 4157 6.807 7.148 -27.083 1.00 0.00 WT1 ATOM 3810 OH2 TIP3 4160 -3.144 6.575 19.661 1.00 0.00 WT1 ATOM 3811 H1 TIP3 4160 -2.780 6.830 20.518 1.00 0.00 WT1 ATOM 3812 H2 TIP3 4160 -3.328 7.417 19.237 1.00 0.00 WT1 ATOM 3813 OH2 TIP3 4174 -0.883 12.991 21.741 1.00 0.00 WT1 ATOM 3814 H1 TIP3 4174 -1.016 13.717 21.192 1.00 0.00 WT1 ATOM 3815 H2 TIP3 4174 -0.049 12.632 21.427 1.00 0.00 WT1 ATOM 3816 OH2 TIP3 4177 8.394 7.259 23.759 1.00 0.00 WT1 ATOM 3817 H1 TIP3 4177 7.674 6.563 23.939 1.00 0.00 WT1 ATOM 3818 H2 TIP3 4177 8.864 6.876 23.041 1.00 0.00 WT1 ATOM 3819 OH2 TIP3 4186 7.704 5.621 -24.071 1.00 0.00 WT1 ATOM 3820 H1 TIP3 4186 7.350 5.635 -24.993 1.00 0.00 WT1 ATOM 3821 H2 TIP3 4186 6.947 5.174 -23.637 1.00 0.00 WT1 ATOM 3822 OH2 TIP3 4196 12.338 7.121 23.489 1.00 0.00 WT1 ATOM 3823 H1 TIP3 4196 12.512 6.731 22.606 1.00 0.00 WT1 ATOM 3824 H2 TIP3 4196 12.883 6.615 24.073 1.00 0.00 WT1 ATOM 3825 OH2 TIP3 4202 5.450 4.194 -23.663 1.00 0.00 WT1 ATOM 3826 H1 TIP3 4202 4.971 4.839 -24.223 1.00 0.00 WT1 ATOM 3827 H2 TIP3 4202 4.896 3.406 -23.701 1.00 0.00 WT1 ATOM 3828 OH2 TIP3 4204 6.176 8.882 21.904 1.00 0.00 WT1 ATOM 3829 H1 TIP3 4204 6.030 8.962 20.940 1.00 0.00 WT1 ATOM 3830 H2 TIP3 4204 5.373 8.532 22.236 1.00 0.00 WT1 ATOM 3831 OH2 TIP3 4221 12.769 6.247 20.958 1.00 0.00 WT1 ATOM 3832 H1 TIP3 4221 12.582 5.819 20.148 1.00 0.00 WT1 ATOM 3833 H2 TIP3 4221 13.577 6.758 20.762 1.00 0.00 WT1 ATOM 3834 OH2 TIP3 4263 2.128 14.312 26.190 1.00 0.00 WT1 ATOM 3835 H1 TIP3 4263 2.340 14.705 25.311 1.00 0.00 WT1 ATOM 3836 H2 TIP3 4263 2.498 14.948 26.780 1.00 0.00 WT1 ATOM 3837 OH2 TIP3 4287 -7.581 10.922 -21.264 1.00 0.00 WT1 ATOM 3838 H1 TIP3 4287 -6.893 10.564 -21.770 1.00 0.00 WT1 ATOM 3839 H2 TIP3 4287 -7.214 10.947 -20.383 1.00 0.00 WT1 ATOM 3840 OH2 TIP3 4347 -9.363 11.091 23.780 1.00 0.00 WT1 ATOM 3841 H1 TIP3 4347 -9.810 11.297 24.634 1.00 0.00 WT1 ATOM 3842 H2 TIP3 4347 -8.773 11.875 23.699 1.00 0.00 WT1 ATOM 3843 OH2 TIP3 4394 4.695 -12.900 -21.955 1.00 0.00 WT1 ATOM 3844 H1 TIP3 4394 4.610 -11.975 -22.224 1.00 0.00 WT1 ATOM 3845 H2 TIP3 4394 5.364 -12.842 -21.240 1.00 0.00 WT1 ATOM 3846 OH2 TIP3 4479 12.870 -4.059 -19.368 1.00 0.00 WT1 ATOM 3847 H1 TIP3 4479 13.020 -4.891 -18.829 1.00 0.00 WT1 ATOM 3848 H2 TIP3 4479 13.203 -3.310 -18.780 1.00 0.00 WT1 ATOM 3849 OH2 TIP3 4480 5.565 0.819 -19.476 1.00 0.00 WT1 ATOM 3850 H1 TIP3 4480 5.851 0.489 -20.346 1.00 0.00 WT1 ATOM 3851 H2 TIP3 4480 4.933 0.103 -19.192 1.00 0.00 WT1 ATOM 3852 OH2 TIP3 4496 12.990 2.285 -20.430 1.00 0.00 WT1 ATOM 3853 H1 TIP3 4496 12.166 2.062 -20.776 1.00 0.00 WT1 ATOM 3854 H2 TIP3 4496 13.207 3.121 -20.931 1.00 0.00 WT1 ATOM 3855 OH2 TIP3 4511 6.262 4.703 17.269 1.00 0.00 WT1 ATOM 3856 H1 TIP3 4511 6.313 5.593 17.696 1.00 0.00 WT1 ATOM 3857 H2 TIP3 4511 6.797 4.204 17.871 1.00 0.00 WT1 ATOM 3858 OH2 TIP3 4516 8.148 9.824 -27.931 1.00 0.00 WT1 ATOM 3859 H1 TIP3 4516 8.199 9.311 -28.759 1.00 0.00 WT1 ATOM 3860 H2 TIP3 4516 8.712 10.619 -28.197 1.00 0.00 WT1 ATOM 3861 OH2 TIP3 4536 10.371 -0.189 -27.927 1.00 0.00 WT1 ATOM 3862 H1 TIP3 4536 10.159 -1.141 -27.996 1.00 0.00 WT1 ATOM 3863 H2 TIP3 4536 11.281 -0.117 -28.023 1.00 0.00 WT1 ATOM 3864 OH2 TIP3 4537 3.838 5.964 -25.161 1.00 0.00 WT1 ATOM 3865 H1 TIP3 4537 4.182 6.596 -24.466 1.00 0.00 WT1 ATOM 3866 H2 TIP3 4537 4.105 6.417 -25.981 1.00 0.00 WT1 ATOM 3867 OH2 TIP3 4538 9.183 2.475 -28.261 1.00 0.00 WT1 ATOM 3868 H1 TIP3 4538 9.312 1.535 -27.964 1.00 0.00 WT1 ATOM 3869 H2 TIP3 4538 9.689 2.970 -27.573 1.00 0.00 WT1 ATOM 3870 OH2 TIP3 4553 2.193 6.475 -28.764 1.00 0.00 WT1 ATOM 3871 H1 TIP3 4553 1.306 6.808 -28.774 1.00 0.00 WT1 ATOM 3872 H2 TIP3 4553 2.246 5.963 -29.619 1.00 0.00 WT1 ATOM 3873 OH2 TIP3 4557 -14.367 4.367 23.076 1.00 0.00 WT1 ATOM 3874 H1 TIP3 4557 -15.112 3.817 22.712 1.00 0.00 WT1 ATOM 3875 H2 TIP3 4557 -13.861 4.511 22.239 1.00 0.00 WT1 ATOM 3876 OH2 TIP3 4559 -5.570 5.946 -26.665 1.00 0.00 WT1 ATOM 3877 H1 TIP3 4559 -5.053 6.729 -26.879 1.00 0.00 WT1 ATOM 3878 H2 TIP3 4559 -5.564 5.454 -27.558 1.00 0.00 WT1 ATOM 3879 OH2 TIP3 4569 11.540 -0.666 -21.990 1.00 0.00 WT1 ATOM 3880 H1 TIP3 4569 11.934 0.169 -21.822 1.00 0.00 WT1 ATOM 3881 H2 TIP3 4569 12.285 -1.236 -22.120 1.00 0.00 WT1 ATOM 3882 OH2 TIP3 4576 10.541 -0.313 20.885 1.00 0.00 WT1 ATOM 3883 H1 TIP3 4576 9.699 -0.683 21.192 1.00 0.00 WT1 ATOM 3884 H2 TIP3 4576 10.236 0.494 20.533 1.00 0.00 WT1 ATOM 3885 OH2 TIP3 4578 2.249 10.890 -26.082 1.00 0.00 WT1 ATOM 3886 H1 TIP3 4578 3.014 10.559 -25.579 1.00 0.00 WT1 ATOM 3887 H2 TIP3 4578 1.853 11.508 -25.467 1.00 0.00 WT1 ATOM 3888 OH2 TIP3 4640 1.939 14.236 21.429 1.00 0.00 WT1 ATOM 3889 H1 TIP3 4640 1.273 14.939 21.323 1.00 0.00 WT1 ATOM 3890 H2 TIP3 4640 2.308 14.161 20.491 1.00 0.00 WT1 ATOM 3891 OH2 TIP3 4849 -0.384 -12.906 -24.595 1.00 0.00 WT1 ATOM 3892 H1 TIP3 4849 -0.807 -13.174 -23.809 1.00 0.00 WT1 ATOM 3893 H2 TIP3 4849 -1.027 -13.218 -25.212 1.00 0.00 WT1 ATOM 3894 OH2 TIP3 4857 3.223 -8.269 -16.528 1.00 0.00 WT1 ATOM 3895 H1 TIP3 4857 2.645 -7.611 -16.974 1.00 0.00 WT1 ATOM 3896 H2 TIP3 4857 4.159 -8.043 -16.849 1.00 0.00 WT1 ATOM 3897 OH2 TIP3 4873 10.536 1.722 28.409 1.00 0.00 WT1 ATOM 3898 H1 TIP3 4873 11.222 1.985 29.049 1.00 0.00 WT1 ATOM 3899 H2 TIP3 4873 9.931 1.061 28.898 1.00 0.00 WT1 ATOM 3900 OH2 TIP3 4895 7.405 -3.484 20.652 1.00 0.00 WT1 ATOM 3901 H1 TIP3 4895 8.365 -3.682 20.805 1.00 0.00 WT1 ATOM 3902 H2 TIP3 4895 7.153 -4.121 19.960 1.00 0.00 WT1 ATOM 3903 OH2 TIP3 4899 6.883 -12.600 -16.651 1.00 0.00 WT1 ATOM 3904 H1 TIP3 4899 7.437 -12.454 -15.838 1.00 0.00 WT1 ATOM 3905 H2 TIP3 4899 6.927 -11.696 -17.145 1.00 0.00 WT1 ATOM 3906 OH2 TIP3 4922 9.156 -1.726 -22.273 1.00 0.00 WT1 ATOM 3907 H1 TIP3 4922 10.069 -1.412 -22.234 1.00 0.00 WT1 ATOM 3908 H2 TIP3 4922 9.023 -2.185 -21.407 1.00 0.00 WT1 ATOM 3909 OH2 TIP3 4943 9.606 -7.119 21.574 1.00 0.00 WT1 ATOM 3910 H1 TIP3 4943 10.068 -6.690 22.271 1.00 0.00 WT1 ATOM 3911 H2 TIP3 4943 10.199 -7.633 21.113 1.00 0.00 WT1 ATOM 3912 OH2 TIP3 4958 9.747 3.550 26.130 1.00 0.00 WT1 ATOM 3913 H1 TIP3 4958 9.994 2.953 26.910 1.00 0.00 WT1 ATOM 3914 H2 TIP3 4958 9.048 4.166 26.465 1.00 0.00 WT1 ATOM 3915 OH2 TIP3 4974 -2.483 -14.870 17.264 1.00 0.00 WT1 ATOM 3916 H1 TIP3 4974 -2.984 -15.161 16.482 1.00 0.00 WT1 ATOM 3917 H2 TIP3 4974 -1.614 -14.615 16.853 1.00 0.00 WT1 ATOM 3918 OH2 TIP3 4975 1.821 -13.457 20.174 1.00 0.00 WT1 ATOM 3919 H1 TIP3 4975 2.410 -14.231 20.076 1.00 0.00 WT1 ATOM 3920 H2 TIP3 4975 0.982 -13.835 20.412 1.00 0.00 WT1 ATOM 3921 OH2 TIP3 4976 5.042 -1.867 19.064 1.00 0.00 WT1 ATOM 3922 H1 TIP3 4976 5.389 -1.797 19.995 1.00 0.00 WT1 ATOM 3923 H2 TIP3 4976 4.129 -2.304 19.232 1.00 0.00 WT1 ATOM 3924 OH2 TIP3 4977 9.033 9.024 26.147 1.00 0.00 WT1 ATOM 3925 H1 TIP3 4977 8.769 9.890 25.771 1.00 0.00 WT1 ATOM 3926 H2 TIP3 4977 8.439 8.419 25.704 1.00 0.00 WT1 ATOM 3927 OH2 TIP3 4981 -0.334 -1.063 -19.543 1.00 0.00 WT1 ATOM 3928 H1 TIP3 4981 0.162 -1.575 -18.871 1.00 0.00 WT1 ATOM 3929 H2 TIP3 4981 -0.974 -1.683 -19.910 1.00 0.00 WT1 ATOM 3930 OH2 TIP3 4982 10.275 5.757 -22.806 1.00 0.00 WT1 ATOM 3931 H1 TIP3 4982 10.167 6.722 -22.644 1.00 0.00 WT1 ATOM 3932 H2 TIP3 4982 9.600 5.523 -23.496 1.00 0.00 WT1 ATOM 3933 OH2 TIP3 4997 10.227 -3.744 20.989 1.00 0.00 WT1 ATOM 3934 H1 TIP3 4997 10.842 -3.273 21.627 1.00 0.00 WT1 ATOM 3935 H2 TIP3 4997 10.890 -4.386 20.627 1.00 0.00 WT1 ATOM 3936 OH2 TIP3 5001 9.174 4.059 -20.685 1.00 0.00 WT1 ATOM 3937 H1 TIP3 5001 9.394 4.369 -19.793 1.00 0.00 WT1 ATOM 3938 H2 TIP3 5001 9.484 4.821 -21.264 1.00 0.00 WT1 ATOM 3939 OH2 TIP3 5005 12.966 0.749 -17.959 1.00 0.00 WT1 ATOM 3940 H1 TIP3 5005 12.939 1.050 -18.904 1.00 0.00 WT1 ATOM 3941 H2 TIP3 5005 13.474 1.499 -17.566 1.00 0.00 WT1 ATOM 3942 OH2 TIP3 5015 12.119 -5.509 20.085 1.00 0.00 WT1 ATOM 3943 H1 TIP3 5015 12.997 -5.370 20.478 1.00 0.00 WT1 ATOM 3944 H2 TIP3 5015 12.323 -6.195 19.407 1.00 0.00 WT1 ATOM 3945 OH2 TIP3 5017 -14.441 0.258 20.977 1.00 0.00 WT1 ATOM 3946 H1 TIP3 5017 -15.108 -0.215 21.623 1.00 0.00 WT1 ATOM 3947 H2 TIP3 5017 -14.793 -0.035 20.059 1.00 0.00 WT1 ATOM 3948 OH2 TIP3 5022 3.924 7.804 22.786 1.00 0.00 WT1 ATOM 3949 H1 TIP3 5022 3.144 7.585 23.385 1.00 0.00 WT1 ATOM 3950 H2 TIP3 5022 3.881 7.222 22.013 1.00 0.00 WT1 ATOM 3951 OH2 TIP3 5039 6.734 5.133 23.852 1.00 0.00 WT1 ATOM 3952 H1 TIP3 5039 6.662 5.358 24.789 1.00 0.00 WT1 ATOM 3953 H2 TIP3 5039 6.882 4.174 23.875 1.00 0.00 WT1 ATOM 3954 OH2 TIP3 5041 12.892 -8.102 22.292 1.00 0.00 WT1 ATOM 3955 H1 TIP3 5041 12.977 -7.148 22.105 1.00 0.00 WT1 ATOM 3956 H2 TIP3 5041 12.577 -8.012 23.214 1.00 0.00 WT1 ATOM 3957 OH2 TIP3 5044 11.005 10.177 -23.758 1.00 0.00 WT1 ATOM 3958 H1 TIP3 5044 11.428 10.073 -22.851 1.00 0.00 WT1 ATOM 3959 H2 TIP3 5044 11.689 9.822 -24.350 1.00 0.00 WT1 ATOM 3960 OH2 TIP3 5088 11.756 7.918 -14.493 1.00 0.00 WT1 ATOM 3961 H1 TIP3 5088 11.952 8.816 -14.623 1.00 0.00 WT1 ATOM 3962 H2 TIP3 5088 11.089 7.998 -13.730 1.00 0.00 WT1 ATOM 3963 OH2 TIP3 5105 14.277 4.001 18.904 1.00 0.00 WT1 ATOM 3964 H1 TIP3 5105 14.231 3.565 19.807 1.00 0.00 WT1 ATOM 3965 H2 TIP3 5105 15.237 3.973 18.702 1.00 0.00 WT1 ATOM 3966 OH2 TIP3 5133 -5.438 -12.172 -19.474 1.00 0.00 WT1 ATOM 3967 H1 TIP3 5133 -4.561 -11.779 -19.361 1.00 0.00 WT1 ATOM 3968 H2 TIP3 5133 -5.472 -12.857 -18.785 1.00 0.00 WT1 ATOM 3969 OH2 TIP3 5286 5.472 -0.753 24.084 1.00 0.00 WT1 ATOM 3970 H1 TIP3 5286 5.450 0.089 23.699 1.00 0.00 WT1 ATOM 3971 H2 TIP3 5286 6.387 -0.778 24.481 1.00 0.00 WT1 ATOM 3972 OH2 TIP3 5333 5.694 -12.664 18.765 1.00 0.00 WT1 ATOM 3973 H1 TIP3 5333 5.090 -12.686 18.006 1.00 0.00 WT1 ATOM 3974 H2 TIP3 5333 6.612 -12.669 18.347 1.00 0.00 WT1 ATOM 3975 OH2 TIP3 5334 -15.030 -5.636 21.157 1.00 0.00 WT1 ATOM 3976 H1 TIP3 5334 -14.643 -5.982 20.308 1.00 0.00 WT1 ATOM 3977 H2 TIP3 5334 -14.250 -5.669 21.704 1.00 0.00 WT1 ATOM 3978 OH2 TIP3 5341 1.199 -5.608 -20.673 1.00 0.00 WT1 ATOM 3979 H1 TIP3 5341 0.911 -5.602 -19.794 1.00 0.00 WT1 ATOM 3980 H2 TIP3 5341 1.222 -6.614 -20.941 1.00 0.00 WT1 ATOM 3981 OH2 TIP3 5358 11.971 -2.999 -29.380 1.00 0.00 WT1 ATOM 3982 H1 TIP3 5358 12.100 -3.493 -28.593 1.00 0.00 WT1 ATOM 3983 H2 TIP3 5358 10.992 -2.895 -29.456 1.00 0.00 WT1 ATOM 3984 OH2 TIP3 5378 13.178 -4.850 -24.032 1.00 0.00 WT1 ATOM 3985 H1 TIP3 5378 13.880 -4.203 -23.821 1.00 0.00 WT1 ATOM 3986 H2 TIP3 5378 13.163 -5.428 -23.300 1.00 0.00 WT1 ATOM 3987 OH2 TIP3 5393 5.474 3.557 -26.561 1.00 0.00 WT1 ATOM 3988 H1 TIP3 5393 6.180 3.033 -26.152 1.00 0.00 WT1 ATOM 3989 H2 TIP3 5393 4.676 3.170 -26.264 1.00 0.00 WT1 ATOM 3990 OH2 TIP3 5396 8.528 -7.546 -29.428 1.00 0.00 WT1 ATOM 3991 H1 TIP3 5396 8.989 -7.312 -30.275 1.00 0.00 WT1 ATOM 3992 H2 TIP3 5396 8.583 -8.543 -29.408 1.00 0.00 WT1 ATOM 3993 OH2 TIP3 5404 6.274 -6.181 -27.903 1.00 0.00 WT1 ATOM 3994 H1 TIP3 5404 6.739 -6.572 -27.147 1.00 0.00 WT1 ATOM 3995 H2 TIP3 5404 6.532 -6.746 -28.651 1.00 0.00 WT1 ATOM 3996 OH2 TIP3 5418 5.156 4.127 -29.125 1.00 0.00 WT1 ATOM 3997 H1 TIP3 5418 6.007 4.425 -29.616 1.00 0.00 WT1 ATOM 3998 H2 TIP3 5418 5.448 3.900 -28.220 1.00 0.00 WT1 ATOM 3999 OH2 TIP3 5443 12.831 -9.302 -19.680 1.00 0.00 WT1 ATOM 4000 H1 TIP3 5443 12.190 -8.796 -20.183 1.00 0.00 WT1 ATOM 4001 H2 TIP3 5443 12.493 -9.297 -18.751 1.00 0.00 WT1 ATOM 4002 OH2 TIP3 5444 11.665 1.883 -23.145 1.00 0.00 WT1 ATOM 4003 H1 TIP3 5444 11.115 1.308 -23.715 1.00 0.00 WT1 ATOM 4004 H2 TIP3 5444 12.394 2.093 -23.699 1.00 0.00 WT1 ATOM 4005 OH2 TIP3 5462 11.843 7.786 -29.095 1.00 0.00 WT1 ATOM 4006 H1 TIP3 5462 12.607 7.459 -28.661 1.00 0.00 WT1 ATOM 4007 H2 TIP3 5462 11.272 8.140 -28.345 1.00 0.00 WT1 ATOM 4008 OH2 TIP3 5463 4.799 8.046 -23.571 1.00 0.00 WT1 ATOM 4009 H1 TIP3 5463 5.710 8.331 -23.376 1.00 0.00 WT1 ATOM 4010 H2 TIP3 5463 4.292 8.003 -22.733 1.00 0.00 WT1 ATOM 4011 OH2 TIP3 5466 14.811 -1.146 -24.472 1.00 0.00 WT1 ATOM 4012 H1 TIP3 5466 15.225 -1.111 -25.324 1.00 0.00 WT1 ATOM 4013 H2 TIP3 5466 13.890 -1.411 -24.666 1.00 0.00 WT1 ATOM 4014 OH2 TIP3 5519 -14.857 8.221 20.804 1.00 0.00 WT1 ATOM 4015 H1 TIP3 5519 -14.683 8.287 19.838 1.00 0.00 WT1 ATOM 4016 H2 TIP3 5519 -14.001 8.054 21.159 1.00 0.00 WT1 ATOM 4017 OH2 TIP3 5733 11.857 -2.968 23.058 1.00 0.00 WT1 ATOM 4018 H1 TIP3 5733 12.555 -2.416 22.658 1.00 0.00 WT1 ATOM 4019 H2 TIP3 5733 11.435 -2.420 23.741 1.00 0.00 WT1 ATOM 4020 OH2 TIP3 5795 -2.907 13.385 -20.434 1.00 0.00 WT1 ATOM 4021 H1 TIP3 5795 -2.815 13.824 -21.287 1.00 0.00 WT1 ATOM 4022 H2 TIP3 5795 -2.058 13.512 -20.055 1.00 0.00 WT1 ATOM 4023 OH2 TIP3 5821 12.626 -2.061 -17.415 1.00 0.00 WT1 ATOM 4024 H1 TIP3 5821 11.642 -2.046 -17.217 1.00 0.00 WT1 ATOM 4025 H2 TIP3 5821 12.784 -1.083 -17.636 1.00 0.00 WT1 ATOM 4026 OH2 TIP3 5839 13.033 -0.322 29.796 1.00 0.00 WT1 ATOM 4027 H1 TIP3 5839 13.068 -1.187 30.268 1.00 0.00 WT1 ATOM 4028 H2 TIP3 5839 12.382 -0.490 29.083 1.00 0.00 WT1 ATOM 4029 OH2 TIP3 5860 12.430 -2.329 -25.526 1.00 0.00 WT1 ATOM 4030 H1 TIP3 5860 11.808 -2.899 -25.057 1.00 0.00 WT1 ATOM 4031 H2 TIP3 5860 12.905 -2.946 -26.077 1.00 0.00 WT1 ATOM 4032 OH2 TIP3 5898 7.725 1.868 22.447 1.00 0.00 WT1 ATOM 4033 H1 TIP3 5898 6.835 2.097 22.059 1.00 0.00 WT1 ATOM 4034 H2 TIP3 5898 8.306 1.776 21.627 1.00 0.00 WT1 ATOM 4035 OH2 TIP3 5899 1.105 6.088 -22.337 1.00 0.00 WT1 ATOM 4036 H1 TIP3 5899 1.327 5.204 -22.697 1.00 0.00 WT1 ATOM 4037 H2 TIP3 5899 0.257 6.244 -22.776 1.00 0.00 WT1 ATOM 4038 OH2 TIP3 5900 13.916 2.715 21.354 1.00 0.00 WT1 ATOM 4039 H1 TIP3 5900 12.966 2.581 21.364 1.00 0.00 WT1 ATOM 4040 H2 TIP3 5900 14.200 1.856 21.027 1.00 0.00 WT1 ATOM 4041 OH2 TIP3 5901 3.487 -4.424 -22.358 1.00 0.00 WT1 ATOM 4042 H1 TIP3 5901 2.830 -4.657 -21.691 1.00 0.00 WT1 ATOM 4043 H2 TIP3 5901 2.975 -3.995 -23.020 1.00 0.00 WT1 ATOM 4044 OH2 TIP3 6220 14.115 1.632 -24.218 1.00 0.00 WT1 ATOM 4045 H1 TIP3 6220 14.002 0.701 -24.327 1.00 0.00 WT1 ATOM 4046 H2 TIP3 6220 14.965 1.888 -24.587 1.00 0.00 WT1 ATOM 4047 OH2 TIP3 6241 8.503 2.220 -22.906 1.00 0.00 WT1 ATOM 4048 H1 TIP3 6241 9.376 2.079 -23.193 1.00 0.00 WT1 ATOM 4049 H2 TIP3 6241 8.600 2.785 -22.124 1.00 0.00 WT1 ATOM 4050 OH2 TIP3 6300 9.311 5.963 -27.810 1.00 0.00 WT1 ATOM 4051 H1 TIP3 6300 8.993 5.681 -28.676 1.00 0.00 WT1 ATOM 4052 H2 TIP3 6300 9.716 5.162 -27.503 1.00 0.00 WT1 ATOM 4053 OH2 TIP3 6346 13.108 -0.620 22.187 1.00 0.00 WT1 ATOM 4054 H1 TIP3 6346 12.193 -0.516 21.796 1.00 0.00 WT1 ATOM 4055 H2 TIP3 6346 13.044 -0.047 22.988 1.00 0.00 WT1 ATOM 4056 OH2 TIP3 6492 10.202 7.604 -18.537 1.00 0.00 WT1 ATOM 4057 H1 TIP3 6492 10.421 8.421 -18.142 1.00 0.00 WT1 ATOM 4058 H2 TIP3 6492 10.947 7.040 -18.263 1.00 0.00 WT1 ATOM 4059 OH2 TIP3 6726 0.323 -3.282 -14.827 1.00 0.00 WT1 ATOM 4060 H1 TIP3 6726 1.207 -3.096 -15.171 1.00 0.00 WT1 ATOM 4061 H2 TIP3 6726 0.543 -3.402 -13.842 1.00 0.00 WT1 ATOM 4062 OH2 TIP3 6813 12.836 -4.661 -16.682 1.00 0.00 WT1 ATOM 4063 H1 TIP3 6813 12.922 -3.706 -16.988 1.00 0.00 WT1 ATOM 4064 H2 TIP3 6813 13.764 -4.973 -16.668 1.00 0.00 WT1 ATOM 4065 OH2 TIP3 6845 8.087 9.591 28.864 1.00 0.00 WT1 ATOM 4066 H1 TIP3 6845 8.099 10.475 28.516 1.00 0.00 WT1 ATOM 4067 H2 TIP3 6845 8.465 9.082 28.111 1.00 0.00 WT1 ATOM 4068 OH2 TIP3 7078 -14.051 3.805 27.542 1.00 0.00 WT1 ATOM 4069 H1 TIP3 7078 -14.737 4.498 27.789 1.00 0.00 WT1 ATOM 4070 H2 TIP3 7078 -13.760 3.637 28.423 1.00 0.00 WT1 ATOM 4071 OH2 TIP3 7141 -1.492 3.946 -18.783 1.00 0.00 WT1 ATOM 4072 H1 TIP3 7141 -1.127 3.089 -18.548 1.00 0.00 WT1 ATOM 4073 H2 TIP3 7141 -0.641 4.423 -19.030 1.00 0.00 WT1 ATOM 4074 OH2 TIP3 7510 -14.642 -7.530 -20.429 1.00 0.00 WT1 ATOM 4075 H1 TIP3 7510 -15.409 -8.007 -20.703 1.00 0.00 WT1 ATOM 4076 H2 TIP3 7510 -14.516 -7.737 -19.443 1.00 0.00 WT1 ATOM 4077 OH2 TIP3 7537 -12.136 -8.509 19.040 1.00 0.00 WT1 ATOM 4078 H1 TIP3 7537 -11.953 -9.398 19.257 1.00 0.00 WT1 ATOM 4079 H2 TIP3 7537 -11.784 -8.457 18.153 1.00 0.00 WT1 ATOM 4080 OH2 TIP3 7563 -14.255 1.658 -21.503 1.00 0.00 WT1 ATOM 4081 H1 TIP3 7563 -14.216 1.811 -22.440 1.00 0.00 WT1 ATOM 4082 H2 TIP3 7563 -15.075 2.039 -21.213 1.00 0.00 WT1 ATOM 4083 OH2 TIP3 7605 -12.498 6.529 -24.499 1.00 0.00 WT1 ATOM 4084 H1 TIP3 7605 -11.796 7.111 -24.186 1.00 0.00 WT1 ATOM 4085 H2 TIP3 7605 -12.211 6.121 -25.331 1.00 0.00 WT1 ATOM 4086 OH2 TIP3 7650 14.111 6.956 26.555 1.00 0.00 WT1 ATOM 4087 H1 TIP3 7650 13.823 6.462 27.348 1.00 0.00 WT1 ATOM 4088 H2 TIP3 7650 13.400 7.574 26.431 1.00 0.00 WT1 ATOM 4089 OH2 TIP3 7668 -15.030 8.275 -22.007 1.00 0.00 WT1 ATOM 4090 H1 TIP3 7668 -14.289 8.571 -21.368 1.00 0.00 WT1 ATOM 4091 H2 TIP3 7668 -14.648 8.466 -22.894 1.00 0.00 WT1 ATOM 4092 OH2 TIP3 7690 -13.561 4.017 -28.964 1.00 0.00 WT1 ATOM 4093 H1 TIP3 7690 -13.043 4.106 -28.177 1.00 0.00 WT1 ATOM 4094 H2 TIP3 7690 -14.227 3.464 -28.594 1.00 0.00 WT1 ATOM 4095 OH2 TIP3 7716 1.508 -15.185 -25.262 1.00 0.00 WT1 ATOM 4096 H1 TIP3 7716 1.091 -14.309 -25.026 1.00 0.00 WT1 ATOM 4097 H2 TIP3 7716 2.332 -15.194 -24.657 1.00 0.00 WT1 ATOM 4098 OH2 TIP3 8024 -14.597 8.343 -25.760 1.00 0.00 WT1 ATOM 4099 H1 TIP3 8024 -14.082 9.235 -25.758 1.00 0.00 WT1 ATOM 4100 H2 TIP3 8024 -14.057 7.726 -25.260 1.00 0.00 WT1 ATOM 4101 OH2 TIP3 8064 -14.565 1.293 -28.320 1.00 0.00 WT1 ATOM 4102 H1 TIP3 8064 -14.269 1.289 -27.399 1.00 0.00 WT1 ATOM 4103 H2 TIP3 8064 -14.561 0.322 -28.584 1.00 0.00 WT1 ATOM 4104 OH2 TIP3 8082 -13.988 -6.464 18.787 1.00 0.00 WT1 ATOM 4105 H1 TIP3 8082 -13.408 -7.201 18.921 1.00 0.00 WT1 ATOM 4106 H2 TIP3 8082 -13.469 -5.777 18.329 1.00 0.00 WT1 ATOM 4107 OH2 TIP3 8420 -8.591 -6.212 24.333 1.00 0.00 WT1 ATOM 4108 H1 TIP3 8420 -8.755 -7.133 24.109 1.00 0.00 WT1 ATOM 4109 H2 TIP3 8420 -9.486 -5.829 24.404 1.00 0.00 WT1 ATOM 4110 OH2 TIP3 8437 -5.587 -4.843 16.136 1.00 0.00 WT1 ATOM 4111 H1 TIP3 8437 -5.666 -5.680 16.583 1.00 0.00 WT1 ATOM 4112 H2 TIP3 8437 -6.367 -4.379 16.353 1.00 0.00 WT1 ATOM 4113 OH2 TIP3 8441 -10.853 3.964 -22.514 1.00 0.00 WT1 ATOM 4114 H1 TIP3 8441 -11.516 4.600 -22.693 1.00 0.00 WT1 ATOM 4115 H2 TIP3 8441 -10.117 4.428 -22.727 1.00 0.00 WT1 ATOM 4116 OH2 TIP3 8443 -3.542 4.419 23.536 1.00 0.00 WT1 ATOM 4117 H1 TIP3 8443 -3.168 5.165 24.097 1.00 0.00 WT1 ATOM 4118 H2 TIP3 8443 -2.747 4.082 23.039 1.00 0.00 WT1 ATOM 4119 OH2 TIP3 8466 -13.685 -4.009 -23.524 1.00 0.00 WT1 ATOM 4120 H1 TIP3 8466 -13.956 -4.562 -22.788 1.00 0.00 WT1 ATOM 4121 H2 TIP3 8466 -13.798 -3.058 -23.186 1.00 0.00 WT1 ATOM 4122 OH2 TIP3 8467 -8.808 -11.326 26.515 1.00 0.00 WT1 ATOM 4123 H1 TIP3 8467 -8.692 -10.586 27.156 1.00 0.00 WT1 ATOM 4124 H2 TIP3 8467 -8.088 -11.214 25.858 1.00 0.00 WT1 ATOM 4125 OH2 TIP3 8548 -1.740 -2.402 27.974 1.00 0.00 WT1 ATOM 4126 H1 TIP3 8548 -2.328 -1.670 27.708 1.00 0.00 WT1 ATOM 4127 H2 TIP3 8548 -0.806 -2.157 27.726 1.00 0.00 WT1 ATOM 4128 OH2 TIP3 8760 -6.286 1.339 -23.694 1.00 0.00 WT1 ATOM 4129 H1 TIP3 8760 -6.589 2.041 -24.273 1.00 0.00 WT1 ATOM 4130 H2 TIP3 8760 -5.368 1.277 -23.924 1.00 0.00 WT1 ATOM 4131 OH2 TIP3 8801 -8.972 -2.605 -22.742 1.00 0.00 WT1 ATOM 4132 H1 TIP3 8801 -9.664 -3.261 -22.864 1.00 0.00 WT1 ATOM 4133 H2 TIP3 8801 -8.181 -3.027 -23.190 1.00 0.00 WT1 ATOM 4134 OH2 TIP3 8857 10.819 9.681 19.160 1.00 0.00 WT1 ATOM 4135 H1 TIP3 8857 11.504 10.125 18.597 1.00 0.00 WT1 ATOM 4136 H2 TIP3 8857 11.290 9.688 19.988 1.00 0.00 WT1 ATOM 4137 OH2 TIP3 8865 -5.630 4.492 -28.990 1.00 0.00 WT1 ATOM 4138 H1 TIP3 8865 -6.490 4.594 -29.449 1.00 0.00 WT1 ATOM 4139 H2 TIP3 8865 -5.746 3.696 -28.420 1.00 0.00 WT1 ATOM 4140 OH2 TIP3 8886 9.233 -2.246 -29.192 1.00 0.00 WT1 ATOM 4141 H1 TIP3 8886 8.552 -2.930 -29.317 1.00 0.00 WT1 ATOM 4142 H2 TIP3 8886 8.924 -1.521 -29.811 1.00 0.00 WT1 ATOM 4143 OH2 TIP3 8902 12.684 -5.193 25.982 1.00 0.00 WT1 ATOM 4144 H1 TIP3 8902 12.038 -5.184 26.734 1.00 0.00 WT1 ATOM 4145 H2 TIP3 8902 13.449 -4.851 26.417 1.00 0.00 WT1 ATOM 4146 OH2 TIP3 8905 -11.653 -3.482 -27.217 1.00 0.00 WT1 ATOM 4147 H1 TIP3 8905 -11.109 -3.154 -27.900 1.00 0.00 WT1 ATOM 4148 H2 TIP3 8905 -10.993 -3.965 -26.736 1.00 0.00 WT1 ATOM 4149 OH2 TIP3 8926 -7.805 7.328 -25.453 1.00 0.00 WT1 ATOM 4150 H1 TIP3 8926 -7.076 6.843 -25.800 1.00 0.00 WT1 ATOM 4151 H2 TIP3 8926 -7.415 8.193 -25.163 1.00 0.00 WT1 ATOM 4152 OH2 TIP3 8927 1.191 -16.009 -28.305 1.00 0.00 WT1 ATOM 4153 H1 TIP3 8927 1.468 -15.671 -27.449 1.00 0.00 WT1 ATOM 4154 H2 TIP3 8927 0.265 -15.769 -28.311 1.00 0.00 WT1 ATOM 4155 OH2 TIP3 8931 -11.818 -5.426 -18.088 1.00 0.00 WT1 ATOM 4156 H1 TIP3 8931 -10.894 -5.258 -17.743 1.00 0.00 WT1 ATOM 4157 H2 TIP3 8931 -11.766 -6.047 -18.852 1.00 0.00 WT1 ATOM 4158 OH2 TIP3 8932 -6.050 -2.556 -21.497 1.00 0.00 WT1 ATOM 4159 H1 TIP3 8932 -6.437 -3.433 -21.303 1.00 0.00 WT1 ATOM 4160 H2 TIP3 8932 -5.952 -2.607 -22.445 1.00 0.00 WT1 ATOM 4161 OH2 TIP3 8970 2.010 3.335 -22.351 1.00 0.00 WT1 ATOM 4162 H1 TIP3 8970 2.846 2.935 -22.587 1.00 0.00 WT1 ATOM 4163 H2 TIP3 8970 1.957 3.246 -21.405 1.00 0.00 WT1 ATOM 4164 OH2 TIP3 8976 -10.873 10.833 -24.008 1.00 0.00 WT1 ATOM 4165 H1 TIP3 8976 -10.895 11.571 -23.323 1.00 0.00 WT1 ATOM 4166 H2 TIP3 8976 -10.470 10.102 -23.533 1.00 0.00 WT1 ATOM 4167 OH2 TIP3 9015 4.367 14.312 -20.804 1.00 0.00 WT1 ATOM 4168 H1 TIP3 9015 5.226 14.290 -20.389 1.00 0.00 WT1 ATOM 4169 H2 TIP3 9015 3.850 13.529 -20.413 1.00 0.00 WT1 ATOM 4170 OH2 TIP3 9027 -12.796 6.337 23.907 1.00 0.00 WT1 ATOM 4171 H1 TIP3 9027 -12.514 6.516 23.017 1.00 0.00 WT1 ATOM 4172 H2 TIP3 9027 -13.388 5.594 23.736 1.00 0.00 WT1 ATOM 4173 OH2 TIP3 9034 13.267 -8.987 -24.342 1.00 0.00 WT1 ATOM 4174 H1 TIP3 9034 14.068 -8.434 -24.239 1.00 0.00 WT1 ATOM 4175 H2 TIP3 9034 13.453 -9.677 -24.991 1.00 0.00 WT1 ATOM 4176 OH2 TIP3 9050 -13.104 5.040 20.858 1.00 0.00 WT1 ATOM 4177 H1 TIP3 9050 -13.132 4.713 19.918 1.00 0.00 WT1 ATOM 4178 H2 TIP3 9050 -12.581 5.877 20.822 1.00 0.00 WT1 ATOM 4179 OH2 TIP3 9082 -9.253 1.826 -24.652 1.00 0.00 WT1 ATOM 4180 H1 TIP3 9082 -9.459 2.547 -25.287 1.00 0.00 WT1 ATOM 4181 H2 TIP3 9082 -8.692 2.230 -23.964 1.00 0.00 WT1 ATOM 4182 OH2 TIP3 9178 14.020 3.687 25.238 1.00 0.00 WT1 ATOM 4183 H1 TIP3 9178 14.505 3.936 26.034 1.00 0.00 WT1 ATOM 4184 H2 TIP3 9178 14.730 3.809 24.533 1.00 0.00 WT1 ATOM 4185 OH2 TIP3 9241 -14.078 -8.477 -17.686 1.00 0.00 WT1 ATOM 4186 H1 TIP3 9241 -14.510 -8.709 -16.876 1.00 0.00 WT1 ATOM 4187 H2 TIP3 9241 -13.529 -9.270 -17.862 1.00 0.00 WT1 ATOM 4188 OH2 TIP3 111 -4.718 -11.394 29.747 1.00 0.00 WT2 ATOM 4189 H1 TIP3 111 -5.071 -10.864 29.003 1.00 0.00 WT2 ATOM 4190 H2 TIP3 111 -3.790 -11.220 29.633 1.00 0.00 WT2 ATOM 4191 OH2 TIP3 145 -3.788 8.618 -26.970 1.00 0.00 WT2 ATOM 4192 H1 TIP3 145 -4.115 9.525 -26.848 1.00 0.00 WT2 ATOM 4193 H2 TIP3 145 -4.153 8.310 -27.807 1.00 0.00 WT2 ATOM 4194 OH2 TIP3 424 -5.249 -13.893 -29.192 1.00 0.00 WT2 ATOM 4195 H1 TIP3 424 -5.243 -12.953 -29.610 1.00 0.00 WT2 ATOM 4196 H2 TIP3 424 -4.848 -14.444 -29.830 1.00 0.00 WT2 ATOM 4197 OH2 TIP3 507 -11.046 5.670 28.317 1.00 0.00 WT2 ATOM 4198 H1 TIP3 507 -11.502 6.357 27.746 1.00 0.00 WT2 ATOM 4199 H2 TIP3 507 -11.667 5.583 29.041 1.00 0.00 WT2 ATOM 4200 OH2 TIP3 613 -3.398 3.844 28.849 1.00 0.00 WT2 ATOM 4201 H1 TIP3 613 -2.992 3.387 29.664 1.00 0.00 WT2 ATOM 4202 H2 TIP3 613 -4.301 3.958 29.094 1.00 0.00 WT2 ATOM 4203 OH2 TIP3 887 10.186 -7.069 27.847 1.00 0.00 WT2 ATOM 4204 H1 TIP3 887 10.804 -7.819 27.828 1.00 0.00 WT2 ATOM 4205 H2 TIP3 887 10.747 -6.362 28.208 1.00 0.00 WT2 ATOM 4206 OH2 TIP3 888 -12.620 -9.429 28.190 1.00 0.00 WT2 ATOM 4207 H1 TIP3 888 -12.083 -8.721 28.597 1.00 0.00 WT2 ATOM 4208 H2 TIP3 888 -12.715 -10.089 28.908 1.00 0.00 WT2 ATOM 4209 OH2 TIP3 924 -5.507 -9.179 28.207 1.00 0.00 WT2 ATOM 4210 H1 TIP3 924 -5.031 -8.441 28.532 1.00 0.00 WT2 ATOM 4211 H2 TIP3 924 -5.636 -8.996 27.255 1.00 0.00 WT2 ATOM 4212 OH2 TIP3 964 -7.667 2.476 28.225 1.00 0.00 WT2 ATOM 4213 H1 TIP3 964 -8.145 2.031 27.514 1.00 0.00 WT2 ATOM 4214 H2 TIP3 964 -7.239 3.227 27.729 1.00 0.00 WT2 ATOM 4215 OH2 TIP3 985 11.191 9.817 28.715 1.00 0.00 WT2 ATOM 4216 H1 TIP3 985 10.970 9.323 27.954 1.00 0.00 WT2 ATOM 4217 H2 TIP3 985 11.482 9.054 29.365 1.00 0.00 WT2 ATOM 4218 OH2 TIP3 987 -13.560 -0.249 25.366 1.00 0.00 WT2 ATOM 4219 H1 TIP3 987 -14.362 -0.003 24.829 1.00 0.00 WT2 ATOM 4220 H2 TIP3 987 -13.886 -0.426 26.285 1.00 0.00 WT2 ATOM 4221 OH2 TIP3 988 -4.442 7.421 -29.421 1.00 0.00 WT2 ATOM 4222 H1 TIP3 988 -3.893 7.292 -30.162 1.00 0.00 WT2 ATOM 4223 H2 TIP3 988 -4.896 6.624 -29.489 1.00 0.00 WT2 ATOM 4224 OH2 TIP3 1027 1.058 -1.846 27.218 1.00 0.00 WT2 ATOM 4225 H1 TIP3 1027 1.206 -2.653 27.723 1.00 0.00 WT2 ATOM 4226 H2 TIP3 1027 1.782 -1.786 26.583 1.00 0.00 WT2 ATOM 4227 OH2 TIP3 1033 -3.840 10.226 26.700 1.00 0.00 WT2 ATOM 4228 H1 TIP3 1033 -4.570 9.999 26.048 1.00 0.00 WT2 ATOM 4229 H2 TIP3 1033 -4.334 10.484 27.524 1.00 0.00 WT2 ATOM 4230 OH2 TIP3 1326 0.804 -13.666 25.168 1.00 0.00 WT2 ATOM 4231 H1 TIP3 1326 1.364 -13.412 24.361 1.00 0.00 WT2 ATOM 4232 H2 TIP3 1326 0.532 -14.534 24.985 1.00 0.00 WT2 ATOM 4233 OH2 TIP3 1346 1.676 -7.521 29.359 1.00 0.00 WT2 ATOM 4234 H1 TIP3 1346 0.938 -7.132 29.868 1.00 0.00 WT2 ATOM 4235 H2 TIP3 1346 2.433 -7.549 30.007 1.00 0.00 WT2 ATOM 4236 OH2 TIP3 1408 2.658 -15.594 28.559 1.00 0.00 WT2 ATOM 4237 H1 TIP3 1408 1.731 -15.606 28.324 1.00 0.00 WT2 ATOM 4238 H2 TIP3 1408 2.780 -15.025 29.312 1.00 0.00 WT2 ATOM 4239 OH2 TIP3 1425 -3.184 -13.841 26.602 1.00 0.00 WT2 ATOM 4240 H1 TIP3 1425 -3.517 -12.944 26.723 1.00 0.00 WT2 ATOM 4241 H2 TIP3 1425 -3.412 -14.308 27.381 1.00 0.00 WT2 ATOM 4242 OH2 TIP3 1427 -8.335 -9.414 28.413 1.00 0.00 WT2 ATOM 4243 H1 TIP3 1427 -7.385 -9.443 28.469 1.00 0.00 WT2 ATOM 4244 H2 TIP3 1427 -8.516 -9.034 29.301 1.00 0.00 WT2 ATOM 4245 OH2 TIP3 1452 -14.601 -4.827 26.550 1.00 0.00 WT2 ATOM 4246 H1 TIP3 1452 -14.017 -5.568 26.274 1.00 0.00 WT2 ATOM 4247 H2 TIP3 1452 -14.078 -4.067 26.480 1.00 0.00 WT2 ATOM 4248 OH2 TIP3 1750 -9.452 9.665 28.091 1.00 0.00 WT2 ATOM 4249 H1 TIP3 1750 -9.031 9.399 28.938 1.00 0.00 WT2 ATOM 4250 H2 TIP3 1750 -10.421 9.603 28.299 1.00 0.00 WT2 ATOM 4251 OH2 TIP3 1810 11.543 4.286 24.258 1.00 0.00 WT2 ATOM 4252 H1 TIP3 1810 12.408 4.102 24.781 1.00 0.00 WT2 ATOM 4253 H2 TIP3 1810 10.880 3.968 24.890 1.00 0.00 WT2 ATOM 4254 OH2 TIP3 1829 -3.406 -4.642 27.624 1.00 0.00 WT2 ATOM 4255 H1 TIP3 1829 -3.699 -4.226 26.756 1.00 0.00 WT2 ATOM 4256 H2 TIP3 1829 -2.775 -3.984 27.929 1.00 0.00 WT2 ATOM 4257 OH2 TIP3 1847 -7.282 12.225 27.558 1.00 0.00 WT2 ATOM 4258 H1 TIP3 1847 -7.322 11.391 28.018 1.00 0.00 WT2 ATOM 4259 H2 TIP3 1847 -6.393 12.230 27.102 1.00 0.00 WT2 ATOM 4260 OH2 TIP3 1870 -4.032 13.149 -27.826 1.00 0.00 WT2 ATOM 4261 H1 TIP3 1870 -3.346 12.816 -27.276 1.00 0.00 WT2 ATOM 4262 H2 TIP3 1870 -3.923 14.143 -27.847 1.00 0.00 WT2 ATOM 4263 OH2 TIP3 1871 -9.766 -5.755 28.769 1.00 0.00 WT2 ATOM 4264 H1 TIP3 1871 -8.803 -5.486 28.504 1.00 0.00 WT2 ATOM 4265 H2 TIP3 1871 -10.298 -5.158 28.240 1.00 0.00 WT2 ATOM 4266 OH2 TIP3 1885 1.950 -4.415 27.822 1.00 0.00 WT2 ATOM 4267 H1 TIP3 1885 1.693 -5.363 27.766 1.00 0.00 WT2 ATOM 4268 H2 TIP3 1885 2.873 -4.473 27.492 1.00 0.00 WT2 ATOM 4269 OH2 TIP3 1976 13.844 -8.789 -27.863 1.00 0.00 WT2 ATOM 4270 H1 TIP3 1976 14.443 -9.602 -27.761 1.00 0.00 WT2 ATOM 4271 H2 TIP3 1976 14.156 -8.279 -28.636 1.00 0.00 WT2 ATOM 4272 OH2 TIP3 2014 11.997 -9.218 28.100 1.00 0.00 WT2 ATOM 4273 H1 TIP3 2014 12.953 -9.002 27.864 1.00 0.00 WT2 ATOM 4274 H2 TIP3 2014 12.066 -10.151 28.407 1.00 0.00 WT2 ATOM 4275 OH2 TIP3 2312 5.431 2.695 25.910 1.00 0.00 WT2 ATOM 4276 H1 TIP3 2312 4.921 2.017 26.410 1.00 0.00 WT2 ATOM 4277 H2 TIP3 2312 4.947 2.769 25.050 1.00 0.00 WT2 ATOM 4278 OH2 TIP3 2318 -8.040 6.969 -29.209 1.00 0.00 WT2 ATOM 4279 H1 TIP3 2318 -8.005 7.943 -29.040 1.00 0.00 WT2 ATOM 4280 H2 TIP3 2318 -8.717 6.677 -28.546 1.00 0.00 WT2 ATOM 4281 OH2 TIP3 2329 4.393 -2.618 29.428 1.00 0.00 WT2 ATOM 4282 H1 TIP3 2329 4.198 -1.858 30.119 1.00 0.00 WT2 ATOM 4283 H2 TIP3 2329 3.536 -2.987 29.275 1.00 0.00 WT2 ATOM 4284 OH2 TIP3 2351 -1.868 0.821 29.847 1.00 0.00 WT2 ATOM 4285 H1 TIP3 2351 -2.296 0.382 29.116 1.00 0.00 WT2 ATOM 4286 H2 TIP3 2351 -0.988 0.896 29.581 1.00 0.00 WT2 ATOM 4287 OH2 TIP3 2378 -6.463 -13.387 27.610 1.00 0.00 WT2 ATOM 4288 H1 TIP3 2378 -5.891 -13.124 26.852 1.00 0.00 WT2 ATOM 4289 H2 TIP3 2378 -6.958 -12.599 27.828 1.00 0.00 WT2 ATOM 4290 OH2 TIP3 2419 1.234 11.905 26.747 1.00 0.00 WT2 ATOM 4291 H1 TIP3 2419 1.694 11.056 26.370 1.00 0.00 WT2 ATOM 4292 H2 TIP3 2419 1.794 12.644 26.392 1.00 0.00 WT2 ATOM 4293 OH2 TIP3 2477 -5.939 9.798 25.069 1.00 0.00 WT2 ATOM 4294 H1 TIP3 2477 -5.852 10.125 24.175 1.00 0.00 WT2 ATOM 4295 H2 TIP3 2477 -6.752 9.259 25.154 1.00 0.00 WT2 ATOM 4296 OH2 TIP3 2709 0.235 3.693 29.204 1.00 0.00 WT2 ATOM 4297 H1 TIP3 2709 1.022 4.133 28.772 1.00 0.00 WT2 ATOM 4298 H2 TIP3 2709 -0.245 3.275 28.418 1.00 0.00 WT2 ATOM 4299 OH2 TIP3 2710 12.229 0.229 27.090 1.00 0.00 WT2 ATOM 4300 H1 TIP3 2710 11.562 -0.444 26.699 1.00 0.00 WT2 ATOM 4301 H2 TIP3 2710 11.665 0.910 27.517 1.00 0.00 WT2 ATOM 4302 OH2 TIP3 2773 7.245 -3.964 24.640 1.00 0.00 WT2 ATOM 4303 H1 TIP3 2773 6.733 -4.199 23.793 1.00 0.00 WT2 ATOM 4304 H2 TIP3 2773 7.905 -4.680 24.691 1.00 0.00 WT2 ATOM 4305 OH2 TIP3 2793 -5.315 -3.303 25.076 1.00 0.00 WT2 ATOM 4306 H1 TIP3 2793 -5.326 -4.109 24.571 1.00 0.00 WT2 ATOM 4307 H2 TIP3 2793 -4.455 -2.904 24.962 1.00 0.00 WT2 ATOM 4308 OH2 TIP3 2877 4.009 11.428 27.980 1.00 0.00 WT2 ATOM 4309 H1 TIP3 2877 3.137 11.225 28.215 1.00 0.00 WT2 ATOM 4310 H2 TIP3 2877 4.533 11.113 28.751 1.00 0.00 WT2 ATOM 4311 OH2 TIP3 2878 1.608 9.787 -30.097 1.00 0.00 WT2 ATOM 4312 H1 TIP3 2878 2.028 10.271 -29.407 1.00 0.00 WT2 ATOM 4313 H2 TIP3 2878 0.729 9.817 -29.689 1.00 0.00 WT2 ATOM 4314 OH2 TIP3 2919 4.545 14.286 29.167 1.00 0.00 WT2 ATOM 4315 H1 TIP3 2919 5.173 14.904 28.780 1.00 0.00 WT2 ATOM 4316 H2 TIP3 2919 4.500 13.510 28.528 1.00 0.00 WT2 ATOM 4317 OH2 TIP3 3086 4.489 -13.401 -28.569 1.00 0.00 WT2 ATOM 4318 H1 TIP3 3086 4.853 -13.457 -27.679 1.00 0.00 WT2 ATOM 4319 H2 TIP3 3086 5.204 -13.010 -29.043 1.00 0.00 WT2 ATOM 4320 OH2 TIP3 3109 2.553 1.932 -29.703 1.00 0.00 WT2 ATOM 4321 H1 TIP3 3109 1.661 1.824 -30.093 1.00 0.00 WT2 ATOM 4322 H2 TIP3 3109 2.527 2.773 -29.237 1.00 0.00 WT2 ATOM 4323 OH2 TIP3 3129 5.999 -11.061 24.533 1.00 0.00 WT2 ATOM 4324 H1 TIP3 3129 5.860 -11.499 23.640 1.00 0.00 WT2 ATOM 4325 H2 TIP3 3129 6.835 -10.667 24.404 1.00 0.00 WT2 ATOM 4326 OH2 TIP3 3257 5.378 9.879 -29.616 1.00 0.00 WT2 ATOM 4327 H1 TIP3 3257 5.047 8.942 -29.570 1.00 0.00 WT2 ATOM 4328 H2 TIP3 3257 6.343 9.805 -29.660 1.00 0.00 WT2 ATOM 4329 OH2 TIP3 3275 6.018 -0.858 27.680 1.00 0.00 WT2 ATOM 4330 H1 TIP3 3275 5.347 -1.413 28.122 1.00 0.00 WT2 ATOM 4331 H2 TIP3 3275 5.499 -0.064 27.585 1.00 0.00 WT2 ATOM 4332 OH2 TIP3 3296 13.598 0.783 24.498 1.00 0.00 WT2 ATOM 4333 H1 TIP3 3296 13.741 1.718 24.751 1.00 0.00 WT2 ATOM 4334 H2 TIP3 3296 13.255 0.408 25.334 1.00 0.00 WT2 ATOM 4335 OH2 TIP3 3317 -0.877 -15.442 27.456 1.00 0.00 WT2 ATOM 4336 H1 TIP3 3317 -1.687 -15.986 27.518 1.00 0.00 WT2 ATOM 4337 H2 TIP3 3317 -1.050 -14.956 26.605 1.00 0.00 WT2 ATOM 4338 OH2 TIP3 3382 -1.293 12.082 27.379 1.00 0.00 WT2 ATOM 4339 H1 TIP3 3382 -1.645 11.313 26.947 1.00 0.00 WT2 ATOM 4340 H2 TIP3 3382 -0.306 11.909 27.285 1.00 0.00 WT2 ATOM 4341 OH2 TIP3 3442 -3.079 -7.209 28.564 1.00 0.00 WT2 ATOM 4342 H1 TIP3 3442 -3.401 -7.181 29.514 1.00 0.00 WT2 ATOM 4343 H2 TIP3 3442 -3.131 -6.218 28.392 1.00 0.00 WT2 ATOM 4344 OH2 TIP3 3526 0.601 -5.988 -27.700 1.00 0.00 WT2 ATOM 4345 H1 TIP3 3526 -0.119 -6.412 -27.327 1.00 0.00 WT2 ATOM 4346 H2 TIP3 3526 1.292 -6.077 -27.021 1.00 0.00 WT2 ATOM 4347 OH2 TIP3 3593 -14.178 -4.742 -27.429 1.00 0.00 WT2 ATOM 4348 H1 TIP3 3593 -13.499 -4.080 -27.162 1.00 0.00 WT2 ATOM 4349 H2 TIP3 3593 -14.087 -5.540 -26.872 1.00 0.00 WT2 ATOM 4350 OH2 TIP3 3650 -3.697 2.054 26.212 1.00 0.00 WT2 ATOM 4351 H1 TIP3 3650 -4.420 2.725 26.045 1.00 0.00 WT2 ATOM 4352 H2 TIP3 3650 -2.933 2.580 26.460 1.00 0.00 WT2 ATOM 4353 OH2 TIP3 3651 -1.215 5.485 -28.551 1.00 0.00 WT2 ATOM 4354 H1 TIP3 3651 -2.035 5.071 -28.332 1.00 0.00 WT2 ATOM 4355 H2 TIP3 3651 -0.733 4.702 -28.813 1.00 0.00 WT2 ATOM 4356 OH2 TIP3 3693 10.429 8.354 -26.879 1.00 0.00 WT2 ATOM 4357 H1 TIP3 3693 10.033 7.467 -26.980 1.00 0.00 WT2 ATOM 4358 H2 TIP3 3693 9.660 8.837 -26.973 1.00 0.00 WT2 ATOM 4359 OH2 TIP3 3718 3.121 5.430 25.806 1.00 0.00 WT2 ATOM 4360 H1 TIP3 3718 4.032 5.645 25.984 1.00 0.00 WT2 ATOM 4361 H2 TIP3 3718 2.709 6.339 25.693 1.00 0.00 WT2 ATOM 4362 OH2 TIP3 3994 -4.713 -11.724 25.821 1.00 0.00 WT2 ATOM 4363 H1 TIP3 3994 -5.033 -12.213 25.028 1.00 0.00 WT2 ATOM 4364 H2 TIP3 3994 -4.465 -10.900 25.457 1.00 0.00 WT2 ATOM 4365 OH2 TIP3 4012 -11.973 -7.197 29.557 1.00 0.00 WT2 ATOM 4366 H1 TIP3 4012 -11.912 -7.193 30.514 1.00 0.00 WT2 ATOM 4367 H2 TIP3 4012 -11.231 -6.608 29.229 1.00 0.00 WT2 ATOM 4368 OH2 TIP3 4037 0.368 -13.440 28.957 1.00 0.00 WT2 ATOM 4369 H1 TIP3 4037 0.052 -14.114 28.233 1.00 0.00 WT2 ATOM 4370 H2 TIP3 4037 0.661 -12.676 28.413 1.00 0.00 WT2 ATOM 4371 OH2 TIP3 4055 6.096 0.950 -29.126 1.00 0.00 WT2 ATOM 4372 H1 TIP3 4055 5.318 0.490 -29.372 1.00 0.00 WT2 ATOM 4373 H2 TIP3 4055 5.825 1.806 -28.838 1.00 0.00 WT2 ATOM 4374 OH2 TIP3 4058 12.889 -7.587 24.939 1.00 0.00 WT2 ATOM 4375 H1 TIP3 4058 12.790 -6.658 25.345 1.00 0.00 WT2 ATOM 4376 H2 TIP3 4058 13.216 -8.101 25.731 1.00 0.00 WT2 ATOM 4377 OH2 TIP3 4138 8.233 -0.089 29.042 1.00 0.00 WT2 ATOM 4378 H1 TIP3 4138 7.964 0.619 29.652 1.00 0.00 WT2 ATOM 4379 H2 TIP3 4138 7.393 -0.470 28.694 1.00 0.00 WT2 ATOM 4380 OH2 TIP3 4161 11.205 5.556 27.558 1.00 0.00 WT2 ATOM 4381 H1 TIP3 4161 11.321 6.281 26.975 1.00 0.00 WT2 ATOM 4382 H2 TIP3 4161 10.509 5.034 27.012 1.00 0.00 WT2 ATOM 4383 OH2 TIP3 4179 7.184 4.738 26.765 1.00 0.00 WT2 ATOM 4384 H1 TIP3 4179 6.636 5.434 27.201 1.00 0.00 WT2 ATOM 4385 H2 TIP3 4179 6.637 3.943 26.892 1.00 0.00 WT2 ATOM 4386 OH2 TIP3 4184 0.325 7.733 27.456 1.00 0.00 WT2 ATOM 4387 H1 TIP3 4184 0.705 8.280 28.197 1.00 0.00 WT2 ATOM 4388 H2 TIP3 4184 1.016 7.765 26.846 1.00 0.00 WT2 ATOM 4389 OH2 TIP3 4437 -3.613 14.810 25.415 1.00 0.00 WT2 ATOM 4390 H1 TIP3 4437 -2.668 15.186 25.429 1.00 0.00 WT2 ATOM 4391 H2 TIP3 4437 -3.924 14.909 26.286 1.00 0.00 WT2 ATOM 4392 OH2 TIP3 4519 0.672 0.621 28.458 1.00 0.00 WT2 ATOM 4393 H1 TIP3 4519 0.371 0.851 27.587 1.00 0.00 WT2 ATOM 4394 H2 TIP3 4519 1.045 -0.225 28.308 1.00 0.00 WT2 ATOM 4395 OH2 TIP3 5251 9.271 -7.482 24.872 1.00 0.00 WT2 ATOM 4396 H1 TIP3 5251 9.597 -7.320 25.786 1.00 0.00 WT2 ATOM 4397 H2 TIP3 5251 10.016 -7.262 24.342 1.00 0.00 WT2 ATOM 4398 OH2 TIP3 7222 -14.699 -6.417 -29.658 1.00 0.00 WT2 ATOM 4399 H1 TIP3 7222 -13.835 -6.729 -29.955 1.00 0.00 WT2 ATOM 4400 H2 TIP3 7222 -14.501 -5.852 -28.960 1.00 0.00 WT2 ATOM 4401 OH2 TIP3 8403 -14.589 -0.862 27.938 1.00 0.00 WT2 ATOM 4402 H1 TIP3 8403 -15.347 -0.294 28.074 1.00 0.00 WT2 ATOM 4403 H2 TIP3 8403 -14.078 -0.762 28.708 1.00 0.00 WT2 ATOM 4404 OH2 TIP3 8632 -8.135 8.303 26.229 1.00 0.00 WT2 ATOM 4405 H1 TIP3 8632 -8.245 7.514 26.720 1.00 0.00 WT2 ATOM 4406 H2 TIP3 8632 -8.594 8.984 26.794 1.00 0.00 WT2 ATOM 4407 OH2 TIP3 8949 -8.691 -1.333 28.861 1.00 0.00 WT2 ATOM 4408 H1 TIP3 8949 -7.977 -0.871 28.330 1.00 0.00 WT2 ATOM 4409 H2 TIP3 8949 -8.296 -1.489 29.693 1.00 0.00 WT2 END