REMARK FINAL COORDINATES WRITTEN BY NAMD AT TIMESTEP 2000 ATOM 1 HA FOR 0 1.345 -4.716 0.005 1.00 0.00 GA1 ATOM 2 C FOR 0 1.865 -3.999 0.655 1.00 0.00 GA1 ATOM 3 O FOR 0 1.886 -4.186 1.866 1.00 0.00 GA1 ATOM 4 N VAL 1 2.478 -2.936 0.108 1.00 0.00 GA1 ATOM 5 HN VAL 1 2.417 -2.723 -0.866 1.00 0.00 GA1 ATOM 6 CA VAL 1 3.229 -1.981 0.895 1.00 0.00 GA1 ATOM 7 HA VAL 1 2.974 -2.067 1.942 1.00 0.00 GA1 ATOM 8 CB VAL 1 4.739 -2.155 0.728 1.00 0.00 GA1 ATOM 9 HB VAL 1 5.012 -2.024 -0.346 1.00 0.00 GA1 ATOM 10 CG1 VAL 1 5.496 -1.101 1.567 1.00 0.00 GA1 ATOM 11 HG11 VAL 1 6.584 -1.309 1.549 1.00 0.00 GA1 ATOM 12 HG12 VAL 1 5.346 -0.075 1.164 1.00 0.00 GA1 ATOM 13 HG13 VAL 1 5.151 -1.130 2.625 1.00 0.00 GA1 ATOM 14 CG2 VAL 1 5.139 -3.583 1.158 1.00 0.00 GA1 ATOM 15 HG21 VAL 1 6.236 -3.720 1.124 1.00 0.00 GA1 ATOM 16 HG22 VAL 1 4.793 -3.786 2.191 1.00 0.00 GA1 ATOM 17 HG23 VAL 1 4.682 -4.333 0.482 1.00 0.00 GA1 ATOM 18 C VAL 1 2.826 -0.593 0.456 1.00 0.00 GA1 ATOM 19 O VAL 1 2.870 -0.266 -0.733 1.00 0.00 GA1 ATOM 20 N GLY 2 2.438 0.282 1.402 1.00 0.00 GA1 ATOM 21 HN GLY 2 2.320 0.000 2.362 1.00 0.00 GA1 ATOM 22 CA GLY 2 2.317 1.690 1.078 1.00 0.00 GA1 ATOM 23 HA1 GLY 2 1.830 1.786 0.113 1.00 0.00 GA1 ATOM 24 HA2 GLY 2 3.317 2.094 1.096 1.00 0.00 GA1 ATOM 25 C GLY 2 1.525 2.508 2.038 1.00 0.00 GA1 ATOM 26 O GLY 2 1.369 2.192 3.218 1.00 0.00 GA1 ATOM 27 N ALA 3 1.015 3.642 1.545 1.00 0.00 GA1 ATOM 28 HN ALA 3 1.183 3.919 0.599 1.00 0.00 GA1 ATOM 29 CA ALA 3 0.190 4.516 2.335 1.00 0.00 GA1 ATOM 30 HA ALA 3 0.453 4.420 3.380 1.00 0.00 GA1 ATOM 31 CB ALA 3 0.453 5.976 1.922 1.00 0.00 GA1 ATOM 32 HB1 ALA 3 1.487 6.259 2.215 1.00 0.00 GA1 ATOM 33 HB2 ALA 3 0.362 6.098 0.823 1.00 0.00 GA1 ATOM 34 HB3 ALA 3 -0.256 6.675 2.413 1.00 0.00 GA1 ATOM 35 C ALA 3 -1.282 4.147 2.225 1.00 0.00 GA1 ATOM 36 O ALA 3 -1.963 4.553 1.279 1.00 0.00 GA1 ATOM 37 N LEU 4 -1.750 3.360 3.219 1.00 0.00 GA1 ATOM 38 HN LEU 4 -1.076 2.944 3.838 1.00 0.00 GA1 ATOM 39 CA LEU 4 -3.111 3.150 3.682 1.00 0.00 GA1 ATOM 40 HA LEU 4 -3.183 3.852 4.504 1.00 0.00 GA1 ATOM 41 CB LEU 4 -4.331 3.561 2.783 1.00 0.00 GA1 ATOM 42 HB1 LEU 4 -5.207 3.732 3.434 1.00 0.00 GA1 ATOM 43 HB2 LEU 4 -4.091 4.558 2.358 1.00 0.00 GA1 ATOM 44 CG LEU 4 -4.768 2.650 1.612 1.00 0.00 GA1 ATOM 45 HG LEU 4 -3.844 2.200 1.194 1.00 0.00 GA1 ATOM 46 CD1 LEU 4 -5.468 3.473 0.520 1.00 0.00 GA1 ATOM 47 HD11 LEU 4 -6.368 3.964 0.950 1.00 0.00 GA1 ATOM 48 HD12 LEU 4 -4.795 4.262 0.125 1.00 0.00 GA1 ATOM 49 HD13 LEU 4 -5.791 2.829 -0.324 1.00 0.00 GA1 ATOM 50 CD2 LEU 4 -5.729 1.525 2.014 1.00 0.00 GA1 ATOM 51 HD21 LEU 4 -5.856 0.805 1.176 1.00 0.00 GA1 ATOM 52 HD22 LEU 4 -5.349 0.973 2.887 1.00 0.00 GA1 ATOM 53 HD23 LEU 4 -6.720 1.938 2.286 1.00 0.00 GA1 ATOM 54 C LEU 4 -3.235 1.801 4.373 1.00 0.00 GA1 ATOM 55 O LEU 4 -3.602 1.757 5.542 1.00 0.00 GA1 ATOM 56 N ALA 5 -2.942 0.654 3.712 1.00 0.00 GA1 ATOM 57 HN ALA 5 -2.562 0.660 2.788 1.00 0.00 GA1 ATOM 58 CA ALA 5 -3.184 -0.646 4.318 1.00 0.00 GA1 ATOM 59 HA ALA 5 -3.373 -0.529 5.374 1.00 0.00 GA1 ATOM 60 CB ALA 5 -4.415 -1.365 3.708 1.00 0.00 GA1 ATOM 61 HB1 ALA 5 -5.340 -0.828 3.995 1.00 0.00 GA1 ATOM 62 HB2 ALA 5 -4.344 -1.377 2.599 1.00 0.00 GA1 ATOM 63 HB3 ALA 5 -4.510 -2.408 4.078 1.00 0.00 GA1 ATOM 64 C ALA 5 -2.000 -1.594 4.247 1.00 0.00 GA1 ATOM 65 O ALA 5 -1.054 -1.427 3.475 1.00 0.00 GA1 ATOM 66 N VAL 6 -2.101 -2.662 5.064 1.00 0.00 GA1 ATOM 67 HN VAL 6 -2.827 -2.621 5.753 1.00 0.00 GA1 ATOM 68 CA VAL 6 -1.187 -3.781 5.222 1.00 0.00 GA1 ATOM 69 HA VAL 6 -1.599 -4.273 6.089 1.00 0.00 GA1 ATOM 70 CB VAL 6 -1.309 -4.917 4.185 1.00 0.00 GA1 ATOM 71 HB VAL 6 -2.244 -5.481 4.428 1.00 0.00 GA1 ATOM 72 CG1 VAL 6 -1.468 -4.399 2.752 1.00 0.00 GA1 ATOM 73 HG11 VAL 6 -1.512 -5.250 2.041 1.00 0.00 GA1 ATOM 74 HG12 VAL 6 -2.396 -3.799 2.640 1.00 0.00 GA1 ATOM 75 HG13 VAL 6 -0.596 -3.763 2.493 1.00 0.00 GA1 ATOM 76 CG2 VAL 6 -0.140 -5.913 4.240 1.00 0.00 GA1 ATOM 77 HG21 VAL 6 -0.364 -6.808 3.624 1.00 0.00 GA1 ATOM 78 HG22 VAL 6 0.770 -5.433 3.820 1.00 0.00 GA1 ATOM 79 HG23 VAL 6 0.072 -6.243 5.276 1.00 0.00 GA1 ATOM 80 C VAL 6 0.174 -3.408 5.793 1.00 0.00 GA1 ATOM 81 O VAL 6 0.356 -3.558 6.999 1.00 0.00 GA1 ATOM 82 N VAL 7 1.161 -2.935 5.011 1.00 0.00 GA1 ATOM 83 HN VAL 7 1.000 -2.722 4.050 1.00 0.00 GA1 ATOM 84 CA VAL 7 2.517 -2.746 5.521 1.00 0.00 GA1 ATOM 85 HA VAL 7 2.526 -2.841 6.597 1.00 0.00 GA1 ATOM 86 CB VAL 7 3.463 -3.812 4.960 1.00 0.00 GA1 ATOM 87 HB VAL 7 3.273 -3.900 3.867 1.00 0.00 GA1 ATOM 88 CG1 VAL 7 4.965 -3.525 5.185 1.00 0.00 GA1 ATOM 89 HG11 VAL 7 5.573 -4.313 4.689 1.00 0.00 GA1 ATOM 90 HG12 VAL 7 5.272 -2.556 4.750 1.00 0.00 GA1 ATOM 91 HG13 VAL 7 5.201 -3.535 6.268 1.00 0.00 GA1 ATOM 92 CG2 VAL 7 3.105 -5.137 5.655 1.00 0.00 GA1 ATOM 93 HG21 VAL 7 3.494 -5.994 5.075 1.00 0.00 GA1 ATOM 94 HG22 VAL 7 3.525 -5.152 6.682 1.00 0.00 GA1 ATOM 95 HG23 VAL 7 2.018 -5.276 5.747 1.00 0.00 GA1 ATOM 96 C VAL 7 2.989 -1.333 5.258 1.00 0.00 GA1 ATOM 97 O VAL 7 2.802 -0.794 4.170 1.00 0.00 GA1 ATOM 98 N VAL 8 3.609 -0.746 6.305 1.00 0.00 GA1 ATOM 99 HN VAL 8 3.630 -1.283 7.147 1.00 0.00 GA1 ATOM 100 CA VAL 8 4.195 0.586 6.472 1.00 0.00 GA1 ATOM 101 HA VAL 8 4.871 0.385 7.288 1.00 0.00 GA1 ATOM 102 CB VAL 8 5.199 1.189 5.474 1.00 0.00 GA1 ATOM 103 HB VAL 8 5.591 2.133 5.929 1.00 0.00 GA1 ATOM 104 CG1 VAL 8 6.394 0.232 5.353 1.00 0.00 GA1 ATOM 105 HG11 VAL 8 7.192 0.689 4.733 1.00 0.00 GA1 ATOM 106 HG12 VAL 8 6.819 -0.011 6.352 1.00 0.00 GA1 ATOM 107 HG13 VAL 8 6.084 -0.709 4.856 1.00 0.00 GA1 ATOM 108 CG2 VAL 8 4.656 1.560 4.081 1.00 0.00 GA1 ATOM 109 HG21 VAL 8 5.438 2.073 3.482 1.00 0.00 GA1 ATOM 110 HG22 VAL 8 4.386 0.653 3.509 1.00 0.00 GA1 ATOM 111 HG23 VAL 8 3.764 2.214 4.141 1.00 0.00 GA1 ATOM 112 C VAL 8 3.302 1.602 7.154 1.00 0.00 GA1 ATOM 113 O VAL 8 3.416 1.764 8.369 1.00 0.00 GA1 ATOM 114 N TRP 9 2.419 2.329 6.434 1.00 0.00 GA1 ATOM 115 HN TRP 9 2.273 2.165 5.459 1.00 0.00 GA1 ATOM 116 CA TRP 9 1.588 3.332 7.080 1.00 0.00 GA1 ATOM 117 HA TRP 9 1.905 3.440 8.106 1.00 0.00 GA1 ATOM 118 CB TRP 9 1.738 4.762 6.474 1.00 0.00 GA1 ATOM 119 HB1 TRP 9 2.823 5.006 6.447 1.00 0.00 GA1 ATOM 120 HB2 TRP 9 1.358 4.763 5.432 1.00 0.00 GA1 ATOM 121 CG TRP 9 1.036 5.860 7.280 1.00 0.00 GA1 ATOM 122 CD1 TRP 9 1.140 6.132 8.618 1.00 0.00 GA1 ATOM 123 HD1 TRP 9 1.857 5.666 9.282 1.00 0.00 GA1 ATOM 124 NE1 TRP 9 0.151 7.015 9.003 1.00 0.00 GA1 ATOM 125 HE1 TRP 9 -0.118 7.216 9.922 1.00 0.00 GA1 ATOM 126 CE2 TRP 9 -0.588 7.353 7.895 1.00 0.00 GA1 ATOM 127 CD2 TRP 9 -0.039 6.676 6.784 1.00 0.00 GA1 ATOM 128 CE3 TRP 9 -0.583 6.820 5.512 1.00 0.00 GA1 ATOM 129 HE3 TRP 9 -0.161 6.316 4.660 1.00 0.00 GA1 ATOM 130 CZ3 TRP 9 -1.695 7.658 5.360 1.00 0.00 GA1 ATOM 131 HZ3 TRP 9 -2.132 7.792 4.379 1.00 0.00 GA1 ATOM 132 CZ2 TRP 9 -1.706 8.161 7.751 1.00 0.00 GA1 ATOM 133 HZ2 TRP 9 -2.164 8.643 8.599 1.00 0.00 GA1 ATOM 134 CH2 TRP 9 -2.257 8.311 6.467 1.00 0.00 GA1 ATOM 135 HH2 TRP 9 -3.120 8.945 6.325 1.00 0.00 GA1 ATOM 136 C TRP 9 0.124 2.924 7.148 1.00 0.00 GA1 ATOM 137 O TRP 9 -0.544 2.710 6.142 1.00 0.00 GA1 ATOM 138 N LEU 10 -0.372 2.900 8.402 1.00 0.00 GA1 ATOM 139 HN LEU 10 0.273 2.928 9.171 1.00 0.00 GA1 ATOM 140 CA LEU 10 -1.743 3.123 8.790 1.00 0.00 GA1 ATOM 141 HA LEU 10 -1.593 3.607 9.740 1.00 0.00 GA1 ATOM 142 CB LEU 10 -2.483 4.173 7.913 1.00 0.00 GA1 ATOM 143 HB1 LEU 10 -1.710 4.907 7.586 1.00 0.00 GA1 ATOM 144 HB2 LEU 10 -2.850 3.711 6.973 1.00 0.00 GA1 ATOM 145 CG LEU 10 -3.608 5.002 8.581 1.00 0.00 GA1 ATOM 146 HG LEU 10 -3.438 6.061 8.264 1.00 0.00 GA1 ATOM 147 CD1 LEU 10 -3.648 4.985 10.120 1.00 0.00 GA1 ATOM 148 HD11 LEU 10 -4.469 5.634 10.485 1.00 0.00 GA1 ATOM 149 HD12 LEU 10 -3.833 3.962 10.507 1.00 0.00 GA1 ATOM 150 HD13 LEU 10 -2.693 5.358 10.545 1.00 0.00 GA1 ATOM 151 CD2 LEU 10 -4.970 4.612 8.022 1.00 0.00 GA1 ATOM 152 HD21 LEU 10 -5.769 5.218 8.495 1.00 0.00 GA1 ATOM 153 HD22 LEU 10 -5.007 4.763 6.923 1.00 0.00 GA1 ATOM 154 HD23 LEU 10 -5.161 3.543 8.235 1.00 0.00 GA1 ATOM 155 C LEU 10 -2.488 1.855 9.171 1.00 0.00 GA1 ATOM 156 O LEU 10 -2.343 1.379 10.295 1.00 0.00 GA1 ATOM 157 N TRP 11 -3.310 1.251 8.293 1.00 0.00 GA1 ATOM 158 HN TRP 11 -3.423 1.586 7.352 1.00 0.00 GA1 ATOM 159 CA TRP 11 -4.071 0.074 8.699 1.00 0.00 GA1 ATOM 160 HA TRP 11 -4.311 0.190 9.746 1.00 0.00 GA1 ATOM 161 CB TRP 11 -5.444 -0.073 7.984 1.00 0.00 GA1 ATOM 162 HB1 TRP 11 -5.272 -0.167 6.890 1.00 0.00 GA1 ATOM 163 HB2 TRP 11 -5.942 -1.004 8.337 1.00 0.00 GA1 ATOM 164 CG TRP 11 -6.413 1.069 8.251 1.00 0.00 GA1 ATOM 165 CD1 TRP 11 -6.980 1.467 9.433 1.00 0.00 GA1 ATOM 166 HD1 TRP 11 -6.854 0.949 10.374 1.00 0.00 GA1 ATOM 167 NE1 TRP 11 -7.739 2.605 9.244 1.00 0.00 GA1 ATOM 168 HE1 TRP 11 -8.234 3.099 9.924 1.00 0.00 GA1 ATOM 169 CE2 TRP 11 -7.689 2.940 7.906 1.00 0.00 GA1 ATOM 170 CD2 TRP 11 -6.879 1.987 7.250 1.00 0.00 GA1 ATOM 171 CE3 TRP 11 -6.638 2.067 5.885 1.00 0.00 GA1 ATOM 172 HE3 TRP 11 -6.038 1.338 5.367 1.00 0.00 GA1 ATOM 173 CZ3 TRP 11 -7.202 3.137 5.184 1.00 0.00 GA1 ATOM 174 HZ3 TRP 11 -7.051 3.219 4.121 1.00 0.00 GA1 ATOM 175 CZ2 TRP 11 -8.267 3.988 7.201 1.00 0.00 GA1 ATOM 176 HZ2 TRP 11 -8.903 4.707 7.685 1.00 0.00 GA1 ATOM 177 CH2 TRP 11 -8.008 4.084 5.825 1.00 0.00 GA1 ATOM 178 HH2 TRP 11 -8.452 4.871 5.237 1.00 0.00 GA1 ATOM 179 C TRP 11 -3.291 -1.237 8.591 1.00 0.00 GA1 ATOM 180 O TRP 11 -3.069 -1.766 7.507 1.00 0.00 GA1 ATOM 181 N LEU 12 -2.929 -1.767 9.777 1.00 0.00 GA1 ATOM 182 HN LEU 12 -3.004 -1.151 10.556 1.00 0.00 GA1 ATOM 183 CA LEU 12 -2.406 -3.089 10.118 1.00 0.00 GA1 ATOM 184 HA LEU 12 -2.991 -3.371 10.977 1.00 0.00 GA1 ATOM 185 CB LEU 12 -2.535 -4.301 9.148 1.00 0.00 GA1 ATOM 186 HB1 LEU 12 -2.155 -4.015 8.149 1.00 0.00 GA1 ATOM 187 HB2 LEU 12 -1.863 -5.107 9.537 1.00 0.00 GA1 ATOM 188 CG LEU 12 -3.916 -4.992 9.020 1.00 0.00 GA1 ATOM 189 HG LEU 12 -3.738 -5.869 8.350 1.00 0.00 GA1 ATOM 190 CD1 LEU 12 -4.973 -4.133 8.327 1.00 0.00 GA1 ATOM 191 HD11 LEU 12 -5.844 -4.754 8.057 1.00 0.00 GA1 ATOM 192 HD12 LEU 12 -5.308 -3.306 8.988 1.00 0.00 GA1 ATOM 193 HD13 LEU 12 -4.570 -3.702 7.386 1.00 0.00 GA1 ATOM 194 CD2 LEU 12 -4.440 -5.555 10.354 1.00 0.00 GA1 ATOM 195 HD21 LEU 12 -4.837 -4.747 11.004 1.00 0.00 GA1 ATOM 196 HD22 LEU 12 -5.261 -6.278 10.168 1.00 0.00 GA1 ATOM 197 HD23 LEU 12 -3.624 -6.077 10.902 1.00 0.00 GA1 ATOM 198 C LEU 12 -1.002 -2.994 10.673 1.00 0.00 GA1 ATOM 199 O LEU 12 -0.844 -2.741 11.862 1.00 0.00 GA1 ATOM 200 N TRP 13 0.060 -3.248 9.874 1.00 0.00 GA1 ATOM 201 HN TRP 13 -0.028 -3.370 8.881 1.00 0.00 GA1 ATOM 202 CA TRP 13 1.384 -3.447 10.438 1.00 0.00 GA1 ATOM 203 HA TRP 13 1.293 -3.550 11.513 1.00 0.00 GA1 ATOM 204 CB TRP 13 2.044 -4.775 9.988 1.00 0.00 GA1 ATOM 205 HB1 TRP 13 2.175 -4.765 8.884 1.00 0.00 GA1 ATOM 206 HB2 TRP 13 3.045 -4.873 10.460 1.00 0.00 GA1 ATOM 207 CG TRP 13 1.234 -5.985 10.412 1.00 0.00 GA1 ATOM 208 CD1 TRP 13 1.102 -6.529 11.661 1.00 0.00 GA1 ATOM 209 HD1 TRP 13 1.660 -6.197 12.529 1.00 0.00 GA1 ATOM 210 NE1 TRP 13 0.145 -7.522 11.653 1.00 0.00 GA1 ATOM 211 HE1 TRP 13 -0.153 -8.036 12.428 1.00 0.00 GA1 ATOM 212 CE2 TRP 13 -0.375 -7.613 10.379 1.00 0.00 GA1 ATOM 213 CD2 TRP 13 0.308 -6.683 9.566 1.00 0.00 GA1 ATOM 214 CE3 TRP 13 0.004 -6.545 8.217 1.00 0.00 GA1 ATOM 215 HE3 TRP 13 0.541 -5.859 7.588 1.00 0.00 GA1 ATOM 216 CZ3 TRP 13 -1.055 -7.301 7.703 1.00 0.00 GA1 ATOM 217 HZ3 TRP 13 -1.361 -7.169 6.676 1.00 0.00 GA1 ATOM 218 CZ2 TRP 13 -1.382 -8.412 9.854 1.00 0.00 GA1 ATOM 219 HZ2 TRP 13 -1.902 -9.135 10.462 1.00 0.00 GA1 ATOM 220 CH2 TRP 13 -1.740 -8.217 8.510 1.00 0.00 GA1 ATOM 221 HH2 TRP 13 -2.557 -8.772 8.082 1.00 0.00 GA1 ATOM 222 C TRP 13 2.345 -2.291 10.209 1.00 0.00 GA1 ATOM 223 O TRP 13 2.704 -1.951 9.084 1.00 0.00 GA1 ATOM 224 N LEU 14 2.801 -1.744 11.355 1.00 0.00 GA1 ATOM 225 HN LEU 14 2.300 -1.984 12.180 1.00 0.00 GA1 ATOM 226 CA LEU 14 3.928 -0.857 11.604 1.00 0.00 GA1 ATOM 227 HA LEU 14 4.454 -1.344 12.413 1.00 0.00 GA1 ATOM 228 CB LEU 14 5.011 -0.632 10.499 1.00 0.00 GA1 ATOM 229 HB1 LEU 14 4.529 -0.463 9.515 1.00 0.00 GA1 ATOM 230 HB2 LEU 14 5.539 0.310 10.762 1.00 0.00 GA1 ATOM 231 CG LEU 14 6.147 -1.690 10.364 1.00 0.00 GA1 ATOM 232 HG LEU 14 6.850 -1.261 9.607 1.00 0.00 GA1 ATOM 233 CD1 LEU 14 5.700 -3.051 9.814 1.00 0.00 GA1 ATOM 234 HD11 LEU 14 6.572 -3.730 9.704 1.00 0.00 GA1 ATOM 235 HD12 LEU 14 4.974 -3.528 10.502 1.00 0.00 GA1 ATOM 236 HD13 LEU 14 5.216 -2.929 8.821 1.00 0.00 GA1 ATOM 237 CD2 LEU 14 6.970 -1.873 11.653 1.00 0.00 GA1 ATOM 238 HD21 LEU 14 7.879 -2.474 11.440 1.00 0.00 GA1 ATOM 239 HD22 LEU 14 7.291 -0.889 12.054 1.00 0.00 GA1 ATOM 240 HD23 LEU 14 6.381 -2.401 12.432 1.00 0.00 GA1 ATOM 241 C LEU 14 3.438 0.427 12.260 1.00 0.00 GA1 ATOM 242 O LEU 14 3.228 0.425 13.470 1.00 0.00 GA1 ATOM 243 N TRP 15 3.259 1.560 11.537 1.00 0.00 GA1 ATOM 244 HN TRP 15 3.370 1.569 10.538 1.00 0.00 GA1 ATOM 245 CA TRP 15 2.908 2.821 12.192 1.00 0.00 GA1 ATOM 246 HA TRP 15 2.714 2.659 13.243 1.00 0.00 GA1 ATOM 247 CB TRP 15 4.032 3.893 12.091 1.00 0.00 GA1 ATOM 248 HB1 TRP 15 4.133 4.224 11.032 1.00 0.00 GA1 ATOM 249 HB2 TRP 15 3.749 4.779 12.702 1.00 0.00 GA1 ATOM 250 CG TRP 15 5.384 3.407 12.569 1.00 0.00 GA1 ATOM 251 CD1 TRP 15 5.878 3.301 13.839 1.00 0.00 GA1 ATOM 252 HD1 TRP 15 5.342 3.597 14.733 1.00 0.00 GA1 ATOM 253 NE1 TRP 15 7.130 2.725 13.814 1.00 0.00 GA1 ATOM 254 HE1 TRP 15 7.685 2.524 14.591 1.00 0.00 GA1 ATOM 255 CE2 TRP 15 7.443 2.420 12.508 1.00 0.00 GA1 ATOM 256 CD2 TRP 15 6.377 2.852 11.694 1.00 0.00 GA1 ATOM 257 CE3 TRP 15 6.396 2.673 10.311 1.00 0.00 GA1 ATOM 258 HE3 TRP 15 5.576 2.984 9.680 1.00 0.00 GA1 ATOM 259 CZ3 TRP 15 7.489 1.991 9.759 1.00 0.00 GA1 ATOM 260 HZ3 TRP 15 7.504 1.785 8.697 1.00 0.00 GA1 ATOM 261 CZ2 TRP 15 8.544 1.787 11.954 1.00 0.00 GA1 ATOM 262 HZ2 TRP 15 9.357 1.445 12.571 1.00 0.00 GA1 ATOM 263 CH2 TRP 15 8.546 1.554 10.570 1.00 0.00 GA1 ATOM 264 HH2 TRP 15 9.359 1.004 10.129 1.00 0.00 GA1 ATOM 265 C TRP 15 1.651 3.449 11.636 1.00 0.00 GA1 ATOM 266 O TRP 15 1.396 3.389 10.441 1.00 0.00 GA1 ATOM 267 N ETA 16 0.854 4.122 12.490 1.00 0.00 GA1 ATOM 268 HN ETA 16 0.993 4.055 13.480 1.00 0.00 GA1 ATOM 269 CA ETA 16 -0.260 4.914 12.026 1.00 0.00 GA1 ATOM 270 HA1 ETA 16 -1.198 4.321 12.100 1.00 0.00 GA1 ATOM 271 HA2 ETA 16 -0.137 5.186 10.951 1.00 0.00 GA1 ATOM 272 CB ETA 16 -0.430 6.227 12.807 1.00 0.00 GA1 ATOM 273 HB1 ETA 16 -0.826 6.007 13.824 1.00 0.00 GA1 ATOM 274 HB2 ETA 16 0.562 6.718 12.917 1.00 0.00 GA1 ATOM 275 OG ETA 16 -1.302 7.113 12.106 1.00 0.00 GA1 ATOM 276 HG1 ETA 16 -1.475 7.862 12.691 1.00 0.00 GA1 ATOM 277 HA FOR 0 -0.999 -4.324 0.010 1.00 0.00 GA2 ATOM 278 C FOR 0 -1.703 -3.783 -0.638 1.00 0.00 GA2 ATOM 279 O FOR 0 -1.777 -4.065 -1.830 1.00 0.00 GA2 ATOM 280 N VAL 1 -2.472 -2.815 -0.110 1.00 0.00 GA2 ATOM 281 HN VAL 1 -2.408 -2.554 0.853 1.00 0.00 GA2 ATOM 282 CA VAL 1 -3.302 -1.954 -0.923 1.00 0.00 GA2 ATOM 283 HA VAL 1 -3.066 -2.079 -1.971 1.00 0.00 GA2 ATOM 284 CB VAL 1 -4.799 -2.180 -0.698 1.00 0.00 GA2 ATOM 285 HB VAL 1 -5.039 -1.971 0.372 1.00 0.00 GA2 ATOM 286 CG1 VAL 1 -5.630 -1.225 -1.587 1.00 0.00 GA2 ATOM 287 HG11 VAL 1 -6.705 -1.491 -1.542 1.00 0.00 GA2 ATOM 288 HG12 VAL 1 -5.528 -0.169 -1.251 1.00 0.00 GA2 ATOM 289 HG13 VAL 1 -5.297 -1.294 -2.647 1.00 0.00 GA2 ATOM 290 CG2 VAL 1 -5.167 -3.651 -0.982 1.00 0.00 GA2 ATOM 291 HG21 VAL 1 -6.243 -3.828 -0.781 1.00 0.00 GA2 ATOM 292 HG22 VAL 1 -4.962 -3.909 -2.041 1.00 0.00 GA2 ATOM 293 HG23 VAL 1 -4.585 -4.334 -0.331 1.00 0.00 GA2 ATOM 294 C VAL 1 -2.978 -0.530 -0.543 1.00 0.00 GA2 ATOM 295 O VAL 1 -2.944 -0.188 0.640 1.00 0.00 GA2 ATOM 296 N GLY 2 -2.767 0.356 -1.531 1.00 0.00 GA2 ATOM 297 HN GLY 2 -2.704 0.060 -2.491 1.00 0.00 GA2 ATOM 298 CA GLY 2 -2.815 1.778 -1.258 1.00 0.00 GA2 ATOM 299 HA1 GLY 2 -2.449 1.965 -0.255 1.00 0.00 GA2 ATOM 300 HA2 GLY 2 -3.836 2.087 -1.412 1.00 0.00 GA2 ATOM 301 C GLY 2 -1.978 2.596 -2.170 1.00 0.00 GA2 ATOM 302 O GLY 2 -1.794 2.282 -3.345 1.00 0.00 GA2 ATOM 303 N ALA 3 -1.458 3.717 -1.653 1.00 0.00 GA2 ATOM 304 HN ALA 3 -1.633 3.996 -0.709 1.00 0.00 GA2 ATOM 305 CA ALA 3 -0.590 4.552 -2.441 1.00 0.00 GA2 ATOM 306 HA ALA 3 -0.832 4.434 -3.487 1.00 0.00 GA2 ATOM 307 CB ALA 3 -0.803 6.039 -2.103 1.00 0.00 GA2 ATOM 308 HB1 ALA 3 -1.848 6.331 -2.345 1.00 0.00 GA2 ATOM 309 HB2 ALA 3 -0.630 6.243 -1.028 1.00 0.00 GA2 ATOM 310 HB3 ALA 3 -0.119 6.685 -2.693 1.00 0.00 GA2 ATOM 311 C ALA 3 0.869 4.142 -2.300 1.00 0.00 GA2 ATOM 312 O ALA 3 1.546 4.555 -1.355 1.00 0.00 GA2 ATOM 313 N LEU 4 1.330 3.313 -3.264 1.00 0.00 GA2 ATOM 314 HN LEU 4 0.653 2.868 -3.858 1.00 0.00 GA2 ATOM 315 CA LEU 4 2.688 3.165 -3.767 1.00 0.00 GA2 ATOM 316 HA LEU 4 2.703 3.871 -4.590 1.00 0.00 GA2 ATOM 317 CB LEU 4 3.903 3.615 -2.886 1.00 0.00 GA2 ATOM 318 HB1 LEU 4 4.769 3.804 -3.546 1.00 0.00 GA2 ATOM 319 HB2 LEU 4 3.643 4.610 -2.465 1.00 0.00 GA2 ATOM 320 CG LEU 4 4.366 2.727 -1.708 1.00 0.00 GA2 ATOM 321 HG LEU 4 3.454 2.260 -1.275 1.00 0.00 GA2 ATOM 322 CD1 LEU 4 5.033 3.595 -0.634 1.00 0.00 GA2 ATOM 323 HD11 LEU 4 5.890 4.141 -1.085 1.00 0.00 GA2 ATOM 324 HD12 LEU 4 4.310 4.336 -0.231 1.00 0.00 GA2 ATOM 325 HD13 LEU 4 5.416 2.972 0.200 1.00 0.00 GA2 ATOM 326 CD2 LEU 4 5.358 1.616 -2.083 1.00 0.00 GA2 ATOM 327 HD21 LEU 4 5.457 0.895 -1.243 1.00 0.00 GA2 ATOM 328 HD22 LEU 4 5.015 1.061 -2.968 1.00 0.00 GA2 ATOM 329 HD23 LEU 4 6.357 2.032 -2.318 1.00 0.00 GA2 ATOM 330 C LEU 4 2.881 1.827 -4.460 1.00 0.00 GA2 ATOM 331 O LEU 4 3.244 1.802 -5.631 1.00 0.00 GA2 ATOM 332 N ALA 5 2.661 0.670 -3.793 1.00 0.00 GA2 ATOM 333 HN ALA 5 2.303 0.660 -2.862 1.00 0.00 GA2 ATOM 334 CA ALA 5 2.949 -0.617 -4.402 1.00 0.00 GA2 ATOM 335 HA ALA 5 3.100 -0.498 -5.465 1.00 0.00 GA2 ATOM 336 CB ALA 5 4.217 -1.299 -3.819 1.00 0.00 GA2 ATOM 337 HB1 ALA 5 5.119 -0.712 -4.082 1.00 0.00 GA2 ATOM 338 HB2 ALA 5 4.152 -1.364 -2.711 1.00 0.00 GA2 ATOM 339 HB3 ALA 5 4.361 -2.320 -4.231 1.00 0.00 GA2 ATOM 340 C ALA 5 1.802 -1.599 -4.287 1.00 0.00 GA2 ATOM 341 O ALA 5 0.866 -1.449 -3.502 1.00 0.00 GA2 ATOM 342 N VAL 6 1.930 -2.674 -5.086 1.00 0.00 GA2 ATOM 343 HN VAL 6 2.639 -2.612 -5.790 1.00 0.00 GA2 ATOM 344 CA VAL 6 1.059 -3.828 -5.201 1.00 0.00 GA2 ATOM 345 HA VAL 6 1.469 -4.314 -6.074 1.00 0.00 GA2 ATOM 346 CB VAL 6 1.268 -4.941 -4.155 1.00 0.00 GA2 ATOM 347 HB VAL 6 2.189 -5.501 -4.456 1.00 0.00 GA2 ATOM 348 CG1 VAL 6 1.545 -4.396 -2.749 1.00 0.00 GA2 ATOM 349 HG11 VAL 6 1.638 -5.241 -2.039 1.00 0.00 GA2 ATOM 350 HG12 VAL 6 2.484 -3.805 -2.720 1.00 0.00 GA2 ATOM 351 HG13 VAL 6 0.704 -3.748 -2.426 1.00 0.00 GA2 ATOM 352 CG2 VAL 6 0.111 -5.948 -4.101 1.00 0.00 GA2 ATOM 353 HG21 VAL 6 0.373 -6.804 -3.445 1.00 0.00 GA2 ATOM 354 HG22 VAL 6 -0.791 -5.458 -3.674 1.00 0.00 GA2 ATOM 355 HG23 VAL 6 -0.139 -6.337 -5.108 1.00 0.00 GA2 ATOM 356 C VAL 6 -0.330 -3.518 -5.749 1.00 0.00 GA2 ATOM 357 O VAL 6 -0.520 -3.660 -6.954 1.00 0.00 GA2 ATOM 358 N VAL 7 -1.331 -3.107 -4.948 1.00 0.00 GA2 ATOM 359 HN VAL 7 -1.179 -2.949 -3.974 1.00 0.00 GA2 ATOM 360 CA VAL 7 -2.697 -2.951 -5.447 1.00 0.00 GA2 ATOM 361 HA VAL 7 -2.715 -3.093 -6.518 1.00 0.00 GA2 ATOM 362 CB VAL 7 -3.617 -4.021 -4.847 1.00 0.00 GA2 ATOM 363 HB VAL 7 -3.459 -4.040 -3.744 1.00 0.00 GA2 ATOM 364 CG1 VAL 7 -5.119 -3.814 -5.140 1.00 0.00 GA2 ATOM 365 HG11 VAL 7 -5.702 -4.639 -4.675 1.00 0.00 GA2 ATOM 366 HG12 VAL 7 -5.492 -2.862 -4.721 1.00 0.00 GA2 ATOM 367 HG13 VAL 7 -5.307 -3.834 -6.233 1.00 0.00 GA2 ATOM 368 CG2 VAL 7 -3.199 -5.375 -5.447 1.00 0.00 GA2 ATOM 369 HG21 VAL 7 -3.612 -6.202 -4.840 1.00 0.00 GA2 ATOM 370 HG22 VAL 7 -3.560 -5.461 -6.493 1.00 0.00 GA2 ATOM 371 HG23 VAL 7 -2.108 -5.500 -5.471 1.00 0.00 GA2 ATOM 372 C VAL 7 -3.206 -1.532 -5.246 1.00 0.00 GA2 ATOM 373 O VAL 7 -3.078 -0.944 -4.176 1.00 0.00 GA2 ATOM 374 N VAL 8 -3.793 -0.984 -6.335 1.00 0.00 GA2 ATOM 375 HN VAL 8 -3.753 -1.530 -7.171 1.00 0.00 GA2 ATOM 376 CA VAL 8 -4.434 0.317 -6.542 1.00 0.00 GA2 ATOM 377 HA VAL 8 -5.100 0.057 -7.349 1.00 0.00 GA2 ATOM 378 CB VAL 8 -5.467 0.916 -5.568 1.00 0.00 GA2 ATOM 379 HB VAL 8 -5.952 1.773 -6.100 1.00 0.00 GA2 ATOM 380 CG1 VAL 8 -6.562 -0.127 -5.323 1.00 0.00 GA2 ATOM 381 HG11 VAL 8 -7.389 0.314 -4.728 1.00 0.00 GA2 ATOM 382 HG12 VAL 8 -6.976 -0.502 -6.284 1.00 0.00 GA2 ATOM 383 HG13 VAL 8 -6.153 -0.980 -4.747 1.00 0.00 GA2 ATOM 384 CG2 VAL 8 -4.953 1.468 -4.224 1.00 0.00 GA2 ATOM 385 HG21 VAL 8 -5.782 1.956 -3.668 1.00 0.00 GA2 ATOM 386 HG22 VAL 8 -4.588 0.649 -3.576 1.00 0.00 GA2 ATOM 387 HG23 VAL 8 -4.142 2.210 -4.354 1.00 0.00 GA2 ATOM 388 C VAL 8 -3.593 1.357 -7.250 1.00 0.00 GA2 ATOM 389 O VAL 8 -3.727 1.505 -8.465 1.00 0.00 GA2 ATOM 390 N TRP 9 -2.739 2.126 -6.543 1.00 0.00 GA2 ATOM 391 HN TRP 9 -2.595 1.986 -5.563 1.00 0.00 GA2 ATOM 392 CA TRP 9 -1.956 3.168 -7.180 1.00 0.00 GA2 ATOM 393 HA TRP 9 -2.266 3.262 -8.210 1.00 0.00 GA2 ATOM 394 CB TRP 9 -2.174 4.575 -6.545 1.00 0.00 GA2 ATOM 395 HB1 TRP 9 -3.270 4.755 -6.493 1.00 0.00 GA2 ATOM 396 HB2 TRP 9 -1.775 4.574 -5.509 1.00 0.00 GA2 ATOM 397 CG TRP 9 -1.551 5.723 -7.346 1.00 0.00 GA2 ATOM 398 CD1 TRP 9 -1.789 6.074 -8.647 1.00 0.00 GA2 ATOM 399 HD1 TRP 9 -2.546 5.618 -9.271 1.00 0.00 GA2 ATOM 400 NE1 TRP 9 -0.862 7.009 -9.063 1.00 0.00 GA2 ATOM 401 HE1 TRP 9 -0.652 7.244 -9.991 1.00 0.00 GA2 ATOM 402 CE2 TRP 9 -0.015 7.285 -8.018 1.00 0.00 GA2 ATOM 403 CD2 TRP 9 -0.430 6.512 -6.911 1.00 0.00 GA2 ATOM 404 CE3 TRP 9 0.262 6.559 -5.706 1.00 0.00 GA2 ATOM 405 HE3 TRP 9 -0.037 5.961 -4.864 1.00 0.00 GA2 ATOM 406 CZ3 TRP 9 1.386 7.393 -5.614 1.00 0.00 GA2 ATOM 407 HZ3 TRP 9 1.944 7.435 -4.688 1.00 0.00 GA2 ATOM 408 CZ2 TRP 9 1.103 8.102 -7.934 1.00 0.00 GA2 ATOM 409 HZ2 TRP 9 1.455 8.664 -8.784 1.00 0.00 GA2 ATOM 410 CH2 TRP 9 1.807 8.151 -6.719 1.00 0.00 GA2 ATOM 411 HH2 TRP 9 2.688 8.773 -6.629 1.00 0.00 GA2 ATOM 412 C TRP 9 -0.473 2.839 -7.217 1.00 0.00 GA2 ATOM 413 O TRP 9 0.198 2.742 -6.193 1.00 0.00 GA2 ATOM 414 N LEU 10 0.029 2.742 -8.462 1.00 0.00 GA2 ATOM 415 HN LEU 10 -0.617 2.647 -9.226 1.00 0.00 GA2 ATOM 416 CA LEU 10 1.380 3.023 -8.885 1.00 0.00 GA2 ATOM 417 HA LEU 10 1.192 3.488 -9.838 1.00 0.00 GA2 ATOM 418 CB LEU 10 2.107 4.114 -8.049 1.00 0.00 GA2 ATOM 419 HB1 LEU 10 1.326 4.835 -7.716 1.00 0.00 GA2 ATOM 420 HB2 LEU 10 2.513 3.678 -7.113 1.00 0.00 GA2 ATOM 421 CG LEU 10 3.203 4.952 -8.752 1.00 0.00 GA2 ATOM 422 HG LEU 10 2.924 6.024 -8.609 1.00 0.00 GA2 ATOM 423 CD1 LEU 10 3.374 4.729 -10.267 1.00 0.00 GA2 ATOM 424 HD11 LEU 10 4.187 5.375 -10.655 1.00 0.00 GA2 ATOM 425 HD12 LEU 10 3.645 3.676 -10.487 1.00 0.00 GA2 ATOM 426 HD13 LEU 10 2.441 4.982 -10.813 1.00 0.00 GA2 ATOM 427 CD2 LEU 10 4.529 4.749 -8.028 1.00 0.00 GA2 ATOM 428 HD21 LEU 10 5.334 5.331 -8.519 1.00 0.00 GA2 ATOM 429 HD22 LEU 10 4.456 5.057 -6.964 1.00 0.00 GA2 ATOM 430 HD23 LEU 10 4.796 3.674 -8.057 1.00 0.00 GA2 ATOM 431 C LEU 10 2.164 1.776 -9.256 1.00 0.00 GA2 ATOM 432 O LEU 10 2.049 1.301 -10.386 1.00 0.00 GA2 ATOM 433 N TRP 11 2.991 1.192 -8.370 1.00 0.00 GA2 ATOM 434 HN TRP 11 3.090 1.537 -7.430 1.00 0.00 GA2 ATOM 435 CA TRP 11 3.789 0.035 -8.766 1.00 0.00 GA2 ATOM 436 HA TRP 11 4.036 0.152 -9.810 1.00 0.00 GA2 ATOM 437 CB TRP 11 5.158 -0.052 -8.030 1.00 0.00 GA2 ATOM 438 HB1 TRP 11 4.974 -0.161 -6.940 1.00 0.00 GA2 ATOM 439 HB2 TRP 11 5.700 -0.956 -8.386 1.00 0.00 GA2 ATOM 440 CG TRP 11 6.085 1.133 -8.274 1.00 0.00 GA2 ATOM 441 CD1 TRP 11 6.637 1.554 -9.455 1.00 0.00 GA2 ATOM 442 HD1 TRP 11 6.539 1.029 -10.396 1.00 0.00 GA2 ATOM 443 NE1 TRP 11 7.356 2.717 -9.263 1.00 0.00 GA2 ATOM 444 HE1 TRP 11 7.823 3.241 -9.941 1.00 0.00 GA2 ATOM 445 CE2 TRP 11 7.293 3.053 -7.929 1.00 0.00 GA2 ATOM 446 CD2 TRP 11 6.528 2.064 -7.270 1.00 0.00 GA2 ATOM 447 CE3 TRP 11 6.295 2.133 -5.902 1.00 0.00 GA2 ATOM 448 HE3 TRP 11 5.724 1.384 -5.380 1.00 0.00 GA2 ATOM 449 CZ3 TRP 11 6.821 3.227 -5.204 1.00 0.00 GA2 ATOM 450 HZ3 TRP 11 6.672 3.305 -4.141 1.00 0.00 GA2 ATOM 451 CZ2 TRP 11 7.821 4.133 -7.233 1.00 0.00 GA2 ATOM 452 HZ2 TRP 11 8.398 4.897 -7.727 1.00 0.00 GA2 ATOM 453 CH2 TRP 11 7.573 4.214 -5.855 1.00 0.00 GA2 ATOM 454 HH2 TRP 11 7.984 5.031 -5.281 1.00 0.00 GA2 ATOM 455 C TRP 11 3.051 -1.303 -8.663 1.00 0.00 GA2 ATOM 456 O TRP 11 2.758 -1.799 -7.581 1.00 0.00 GA2 ATOM 457 N LEU 12 2.799 -1.902 -9.848 1.00 0.00 GA2 ATOM 458 HN LEU 12 2.954 -1.344 -10.655 1.00 0.00 GA2 ATOM 459 CA LEU 12 2.252 -3.227 -10.151 1.00 0.00 GA2 ATOM 460 HA LEU 12 2.805 -3.523 -11.027 1.00 0.00 GA2 ATOM 461 CB LEU 12 2.414 -4.430 -9.171 1.00 0.00 GA2 ATOM 462 HB1 LEU 12 1.979 -4.170 -8.186 1.00 0.00 GA2 ATOM 463 HB2 LEU 12 1.799 -5.270 -9.586 1.00 0.00 GA2 ATOM 464 CG LEU 12 3.826 -5.046 -8.987 1.00 0.00 GA2 ATOM 465 HG LEU 12 3.655 -5.973 -8.382 1.00 0.00 GA2 ATOM 466 CD1 LEU 12 4.777 -4.168 -8.168 1.00 0.00 GA2 ATOM 467 HD11 LEU 12 5.652 -4.756 -7.836 1.00 0.00 GA2 ATOM 468 HD12 LEU 12 5.128 -3.302 -8.767 1.00 0.00 GA2 ATOM 469 HD13 LEU 12 4.264 -3.787 -7.261 1.00 0.00 GA2 ATOM 470 CD2 LEU 12 4.470 -5.490 -10.313 1.00 0.00 GA2 ATOM 471 HD21 LEU 12 4.882 -4.621 -10.868 1.00 0.00 GA2 ATOM 472 HD22 LEU 12 5.303 -6.193 -10.116 1.00 0.00 GA2 ATOM 473 HD23 LEU 12 3.723 -5.999 -10.959 1.00 0.00 GA2 ATOM 474 C LEU 12 0.830 -3.145 -10.670 1.00 0.00 GA2 ATOM 475 O LEU 12 0.638 -2.902 -11.858 1.00 0.00 GA2 ATOM 476 N TRP 13 -0.209 -3.403 -9.843 1.00 0.00 GA2 ATOM 477 HN TRP 13 -0.099 -3.510 -8.850 1.00 0.00 GA2 ATOM 478 CA TRP 13 -1.536 -3.646 -10.378 1.00 0.00 GA2 ATOM 479 HA TRP 13 -1.454 -3.785 -11.450 1.00 0.00 GA2 ATOM 480 CB TRP 13 -2.157 -4.977 -9.898 1.00 0.00 GA2 ATOM 481 HB1 TRP 13 -2.288 -4.948 -8.794 1.00 0.00 GA2 ATOM 482 HB2 TRP 13 -3.155 -5.116 -10.365 1.00 0.00 GA2 ATOM 483 CG TRP 13 -1.306 -6.165 -10.301 1.00 0.00 GA2 ATOM 484 CD1 TRP 13 -1.113 -6.701 -11.545 1.00 0.00 GA2 ATOM 485 HD1 TRP 13 -1.623 -6.368 -12.442 1.00 0.00 GA2 ATOM 486 NE1 TRP 13 -0.145 -7.683 -11.499 1.00 0.00 GA2 ATOM 487 HE1 TRP 13 0.194 -8.188 -12.262 1.00 0.00 GA2 ATOM 488 CE2 TRP 13 0.327 -7.765 -10.206 1.00 0.00 GA2 ATOM 489 CD2 TRP 13 -0.393 -6.837 -9.423 1.00 0.00 GA2 ATOM 490 CE3 TRP 13 -0.129 -6.679 -8.069 1.00 0.00 GA2 ATOM 491 HE3 TRP 13 -0.691 -5.994 -7.461 1.00 0.00 GA2 ATOM 492 CZ3 TRP 13 0.920 -7.419 -7.515 1.00 0.00 GA2 ATOM 493 HZ3 TRP 13 1.192 -7.284 -6.479 1.00 0.00 GA2 ATOM 494 CZ2 TRP 13 1.324 -8.547 -9.642 1.00 0.00 GA2 ATOM 495 HZ2 TRP 13 1.872 -9.273 -10.223 1.00 0.00 GA2 ATOM 496 CH2 TRP 13 1.637 -8.334 -8.291 1.00 0.00 GA2 ATOM 497 HH2 TRP 13 2.438 -8.880 -7.825 1.00 0.00 GA2 ATOM 498 C TRP 13 -2.528 -2.508 -10.203 1.00 0.00 GA2 ATOM 499 O TRP 13 -2.927 -2.129 -9.101 1.00 0.00 GA2 ATOM 500 N LEU 14 -2.958 -2.026 -11.384 1.00 0.00 GA2 ATOM 501 HN LEU 14 -2.416 -2.290 -12.173 1.00 0.00 GA2 ATOM 502 CA LEU 14 -4.084 -1.177 -11.722 1.00 0.00 GA2 ATOM 503 HA LEU 14 -4.507 -1.666 -12.586 1.00 0.00 GA2 ATOM 504 CB LEU 14 -5.273 -1.020 -10.723 1.00 0.00 GA2 ATOM 505 HB1 LEU 14 -4.902 -0.752 -9.712 1.00 0.00 GA2 ATOM 506 HB2 LEU 14 -5.868 -0.154 -11.094 1.00 0.00 GA2 ATOM 507 CG LEU 14 -6.314 -2.176 -10.623 1.00 0.00 GA2 ATOM 508 HG LEU 14 -7.162 -1.743 -10.035 1.00 0.00 GA2 ATOM 509 CD1 LEU 14 -5.835 -3.401 -9.833 1.00 0.00 GA2 ATOM 510 HD11 LEU 14 -6.675 -4.108 -9.665 1.00 0.00 GA2 ATOM 511 HD12 LEU 14 -5.035 -3.929 -10.390 1.00 0.00 GA2 ATOM 512 HD13 LEU 14 -5.428 -3.088 -8.847 1.00 0.00 GA2 ATOM 513 CD2 LEU 14 -6.908 -2.596 -11.981 1.00 0.00 GA2 ATOM 514 HD21 LEU 14 -7.787 -3.258 -11.831 1.00 0.00 GA2 ATOM 515 HD22 LEU 14 -7.241 -1.702 -12.551 1.00 0.00 GA2 ATOM 516 HD23 LEU 14 -6.162 -3.147 -12.592 1.00 0.00 GA2 ATOM 517 C LEU 14 -3.596 0.139 -12.307 1.00 0.00 GA2 ATOM 518 O LEU 14 -3.198 0.167 -13.471 1.00 0.00 GA2 ATOM 519 N TRP 15 -3.638 1.274 -11.569 1.00 0.00 GA2 ATOM 520 HN TRP 15 -3.827 1.245 -10.581 1.00 0.00 GA2 ATOM 521 CA TRP 15 -3.415 2.586 -12.172 1.00 0.00 GA2 ATOM 522 HA TRP 15 -3.258 2.472 -13.236 1.00 0.00 GA2 ATOM 523 CB TRP 15 -4.631 3.542 -11.994 1.00 0.00 GA2 ATOM 524 HB1 TRP 15 -4.752 3.802 -10.917 1.00 0.00 GA2 ATOM 525 HB2 TRP 15 -4.451 4.484 -12.555 1.00 0.00 GA2 ATOM 526 CG TRP 15 -5.922 2.938 -12.508 1.00 0.00 GA2 ATOM 527 CD1 TRP 15 -6.348 2.762 -13.796 1.00 0.00 GA2 ATOM 528 HD1 TRP 15 -5.826 3.127 -14.671 1.00 0.00 GA2 ATOM 529 NE1 TRP 15 -7.505 2.017 -13.815 1.00 0.00 GA2 ATOM 530 HE1 TRP 15 -7.990 1.735 -14.612 1.00 0.00 GA2 ATOM 531 CE2 TRP 15 -7.830 1.680 -12.521 1.00 0.00 GA2 ATOM 532 CD2 TRP 15 -6.870 2.263 -11.668 1.00 0.00 GA2 ATOM 533 CE3 TRP 15 -6.926 2.089 -10.285 1.00 0.00 GA2 ATOM 534 HE3 TRP 15 -6.188 2.518 -9.622 1.00 0.00 GA2 ATOM 535 CZ3 TRP 15 -7.947 1.277 -9.770 1.00 0.00 GA2 ATOM 536 HZ3 TRP 15 -7.989 1.090 -8.705 1.00 0.00 GA2 ATOM 537 CZ2 TRP 15 -8.855 0.903 -12.009 1.00 0.00 GA2 ATOM 538 HZ2 TRP 15 -9.594 0.452 -12.653 1.00 0.00 GA2 ATOM 539 CH2 TRP 15 -8.893 0.686 -10.622 1.00 0.00 GA2 ATOM 540 HH2 TRP 15 -9.667 0.059 -10.202 1.00 0.00 GA2 ATOM 541 C TRP 15 -2.170 3.276 -11.658 1.00 0.00 GA2 ATOM 542 O TRP 15 -1.699 3.013 -10.561 1.00 0.00 GA2 ATOM 543 N ETA 16 -1.612 4.213 -12.445 1.00 0.00 GA2 ATOM 544 HN ETA 16 -1.993 4.407 -13.342 1.00 0.00 GA2 ATOM 545 CA ETA 16 -0.446 4.950 -12.026 1.00 0.00 GA2 ATOM 546 HA1 ETA 16 0.465 4.325 -12.165 1.00 0.00 GA2 ATOM 547 HA2 ETA 16 -0.506 5.190 -10.940 1.00 0.00 GA2 ATOM 548 CB ETA 16 -0.267 6.265 -12.793 1.00 0.00 GA2 ATOM 549 HB1 ETA 16 0.046 6.050 -13.840 1.00 0.00 GA2 ATOM 550 HB2 ETA 16 -1.236 6.810 -12.823 1.00 0.00 GA2 ATOM 551 OG ETA 16 0.699 7.084 -12.139 1.00 0.00 GA2 ATOM 552 HG1 ETA 16 0.946 7.787 -12.752 1.00 0.00 GA2 ATOM 553 N POPE 1 7.596 5.500 20.768 1.00 0.00 LA1 ATOM 554 HN1 POPE 1 8.309 4.817 21.134 1.00 0.00 LA1 ATOM 555 HN2 POPE 1 7.475 6.247 21.478 1.00 0.00 LA1 ATOM 556 HN3 POPE 1 6.690 4.980 20.676 1.00 0.00 LA1 ATOM 557 C12 POPE 1 8.047 6.033 19.429 1.00 0.00 LA1 ATOM 558 H12A POPE 1 7.874 5.240 18.673 1.00 0.00 LA1 ATOM 559 H12B POPE 1 9.136 6.231 19.500 1.00 0.00 LA1 ATOM 560 C11 POPE 1 7.297 7.314 19.014 1.00 0.00 LA1 ATOM 561 H11A POPE 1 7.468 8.105 19.785 1.00 0.00 LA1 ATOM 562 H11B POPE 1 7.752 7.666 18.056 1.00 0.00 LA1 ATOM 563 P POPE 1 4.904 8.247 18.519 1.00 0.00 LA1 ATOM 564 O13 POPE 1 3.627 7.691 18.029 1.00 0.00 LA1 ATOM 565 O14 POPE 1 4.807 9.082 19.741 1.00 0.00 LA1 ATOM 566 O11 POPE 1 5.618 9.063 17.358 1.00 0.00 LA1 ATOM 567 O12 POPE 1 5.903 7.051 18.833 1.00 0.00 LA1 ATOM 568 C1 POPE 1 5.484 8.573 16.014 1.00 0.00 LA1 ATOM 569 HA POPE 1 5.785 7.499 15.940 1.00 0.00 LA1 ATOM 570 HB POPE 1 4.425 8.667 15.675 1.00 0.00 LA1 ATOM 571 C2 POPE 1 6.370 9.365 15.009 1.00 0.00 LA1 ATOM 572 HS POPE 1 6.039 10.429 15.047 1.00 0.00 LA1 ATOM 573 O21 POPE 1 6.134 8.809 13.698 1.00 0.00 LA1 ATOM 574 C21 POPE 1 6.561 9.494 12.649 1.00 0.00 LA1 ATOM 575 O22 POPE 1 6.995 10.633 12.659 1.00 0.00 LA1 ATOM 576 C22 POPE 1 6.464 8.596 11.404 1.00 0.00 LA1 ATOM 577 H2R POPE 1 7.303 7.869 11.450 1.00 0.00 LA1 ATOM 578 H2S POPE 1 5.508 8.034 11.443 1.00 0.00 LA1 ATOM 579 C3 POPE 1 7.881 9.297 15.386 1.00 0.00 LA1 ATOM 580 HX POPE 1 8.437 10.051 14.782 1.00 0.00 LA1 ATOM 581 HY POPE 1 7.983 9.568 16.462 1.00 0.00 LA1 ATOM 582 O31 POPE 1 8.398 7.974 15.144 1.00 0.00 LA1 ATOM 583 C31 POPE 1 9.693 7.795 15.361 1.00 0.00 LA1 ATOM 584 O32 POPE 1 10.446 8.609 15.864 1.00 0.00 LA1 ATOM 585 C32 POPE 1 10.077 6.368 14.944 1.00 0.00 LA1 ATOM 586 H2X POPE 1 10.284 5.805 15.877 1.00 0.00 LA1 ATOM 587 H2Y POPE 1 9.230 5.867 14.430 1.00 0.00 LA1 ATOM 588 C23 POPE 1 6.543 9.382 10.074 1.00 0.00 LA1 ATOM 589 H3R POPE 1 5.742 10.155 10.051 1.00 0.00 LA1 ATOM 590 H3S POPE 1 7.522 9.908 10.011 1.00 0.00 LA1 ATOM 591 C24 POPE 1 6.381 8.468 8.847 1.00 0.00 LA1 ATOM 592 H4R POPE 1 7.150 7.662 8.887 1.00 0.00 LA1 ATOM 593 H4S POPE 1 5.381 7.978 8.889 1.00 0.00 LA1 ATOM 594 C25 POPE 1 6.519 9.205 7.504 1.00 0.00 LA1 ATOM 595 H5R POPE 1 5.861 10.103 7.501 1.00 0.00 LA1 ATOM 596 H5S POPE 1 7.568 9.559 7.398 1.00 0.00 LA1 ATOM 597 C26 POPE 1 6.164 8.299 6.310 1.00 0.00 LA1 ATOM 598 H6R POPE 1 6.648 7.309 6.468 1.00 0.00 LA1 ATOM 599 H6S POPE 1 5.064 8.134 6.289 1.00 0.00 LA1 ATOM 600 C27 POPE 1 6.637 8.842 4.950 1.00 0.00 LA1 ATOM 601 H7R POPE 1 6.180 9.838 4.763 1.00 0.00 LA1 ATOM 602 H7S POPE 1 7.741 8.978 5.013 1.00 0.00 LA1 ATOM 603 C28 POPE 1 6.302 7.885 3.784 1.00 0.00 LA1 ATOM 604 H8R POPE 1 6.614 6.872 4.118 1.00 0.00 LA1 ATOM 605 H8S POPE 1 5.200 7.847 3.643 1.00 0.00 LA1 ATOM 606 C29 POPE 1 7.038 8.231 2.511 1.00 0.00 LA1 ATOM 607 H91 POPE 1 8.100 8.477 2.658 1.00 0.00 LA1 ATOM 608 C210 POPE 1 6.566 8.198 1.246 1.00 0.00 LA1 ATOM 609 H101 POPE 1 7.234 8.526 0.434 1.00 0.00 LA1 ATOM 610 C211 POPE 1 5.163 7.861 0.812 1.00 0.00 LA1 ATOM 611 H11R POPE 1 4.625 7.280 1.593 1.00 0.00 LA1 ATOM 612 H11S POPE 1 4.618 8.817 0.673 1.00 0.00 LA1 ATOM 613 C212 POPE 1 5.032 7.105 -0.531 1.00 0.00 LA1 ATOM 614 H12R POPE 1 5.669 6.202 -0.522 1.00 0.00 LA1 ATOM 615 H12S POPE 1 3.979 6.760 -0.648 1.00 0.00 LA1 ATOM 616 C213 POPE 1 5.388 7.952 -1.756 1.00 0.00 LA1 ATOM 617 H13R POPE 1 4.726 8.844 -1.778 1.00 0.00 LA1 ATOM 618 H13S POPE 1 6.439 8.305 -1.667 1.00 0.00 LA1 ATOM 619 C214 POPE 1 5.247 7.215 -3.096 1.00 0.00 LA1 ATOM 620 H14R POPE 1 5.951 6.351 -3.114 1.00 0.00 LA1 ATOM 621 H14S POPE 1 4.213 6.823 -3.223 1.00 0.00 LA1 ATOM 622 C215 POPE 1 5.582 8.171 -4.243 1.00 0.00 LA1 ATOM 623 H15R POPE 1 4.795 8.955 -4.304 1.00 0.00 LA1 ATOM 624 H15S POPE 1 6.545 8.677 -3.999 1.00 0.00 LA1 ATOM 625 C216 POPE 1 5.727 7.506 -5.614 1.00 0.00 LA1 ATOM 626 H16R POPE 1 6.449 6.665 -5.543 1.00 0.00 LA1 ATOM 627 H16S POPE 1 4.748 7.095 -5.944 1.00 0.00 LA1 ATOM 628 C217 POPE 1 6.235 8.523 -6.638 1.00 0.00 LA1 ATOM 629 H17R POPE 1 5.498 9.351 -6.663 1.00 0.00 LA1 ATOM 630 H17S POPE 1 7.202 8.945 -6.278 1.00 0.00 LA1 ATOM 631 C218 POPE 1 6.397 7.995 -8.059 1.00 0.00 LA1 ATOM 632 H18R POPE 1 6.872 8.767 -8.704 1.00 0.00 LA1 ATOM 633 H18S POPE 1 7.025 7.080 -8.064 1.00 0.00 LA1 ATOM 634 H18T POPE 1 5.401 7.744 -8.485 1.00 0.00 LA1 ATOM 635 C33 POPE 1 11.321 6.315 14.024 1.00 0.00 LA1 ATOM 636 H3X POPE 1 12.206 6.724 14.562 1.00 0.00 LA1 ATOM 637 H3Y POPE 1 11.527 5.240 13.812 1.00 0.00 LA1 ATOM 638 C34 POPE 1 11.150 7.049 12.679 1.00 0.00 LA1 ATOM 639 H4X POPE 1 10.092 6.949 12.342 1.00 0.00 LA1 ATOM 640 H4Y POPE 1 11.356 8.134 12.816 1.00 0.00 LA1 ATOM 641 C35 POPE 1 12.062 6.485 11.568 1.00 0.00 LA1 ATOM 642 H5X POPE 1 13.122 6.516 11.905 1.00 0.00 LA1 ATOM 643 H5Y POPE 1 11.798 5.416 11.406 1.00 0.00 LA1 ATOM 644 C36 POPE 1 11.931 7.246 10.233 1.00 0.00 LA1 ATOM 645 H6X POPE 1 10.852 7.431 10.034 1.00 0.00 LA1 ATOM 646 H6Y POPE 1 12.428 8.236 10.345 1.00 0.00 LA1 ATOM 647 C37 POPE 1 12.524 6.524 9.005 1.00 0.00 LA1 ATOM 648 H7X POPE 1 13.615 6.373 9.154 1.00 0.00 LA1 ATOM 649 H7Y POPE 1 12.045 5.524 8.903 1.00 0.00 LA1 ATOM 650 C38 POPE 1 12.305 7.316 7.702 1.00 0.00 LA1 ATOM 651 H8X POPE 1 11.213 7.503 7.589 1.00 0.00 LA1 ATOM 652 H8Y POPE 1 12.813 8.303 7.788 1.00 0.00 LA1 ATOM 653 C39 POPE 1 12.809 6.610 6.430 1.00 0.00 LA1 ATOM 654 H9X POPE 1 13.918 6.548 6.456 1.00 0.00 LA1 ATOM 655 H9Y POPE 1 12.411 5.573 6.388 1.00 0.00 LA1 ATOM 656 C310 POPE 1 12.409 7.345 5.143 1.00 0.00 LA1 ATOM 657 H10X POPE 1 11.307 7.496 5.137 1.00 0.00 LA1 ATOM 658 H10Y POPE 1 12.885 8.351 5.152 1.00 0.00 LA1 ATOM 659 C311 POPE 1 12.809 6.610 3.854 1.00 0.00 LA1 ATOM 660 H11X POPE 1 13.910 6.451 3.858 1.00 0.00 LA1 ATOM 661 H11Y POPE 1 12.325 5.613 3.823 1.00 0.00 LA1 ATOM 662 C312 POPE 1 12.451 7.403 2.590 1.00 0.00 LA1 ATOM 663 H12X POPE 1 11.385 7.721 2.611 1.00 0.00 LA1 ATOM 664 H12Y POPE 1 13.083 8.319 2.618 1.00 0.00 LA1 ATOM 665 C313 POPE 1 12.727 6.661 1.273 1.00 0.00 LA1 ATOM 666 H13X POPE 1 13.648 6.054 1.390 1.00 0.00 LA1 ATOM 667 H13Y POPE 1 11.911 5.947 1.056 1.00 0.00 LA1 ATOM 668 C314 POPE 1 12.889 7.620 0.083 1.00 0.00 LA1 ATOM 669 H14X POPE 1 11.968 8.235 -0.019 1.00 0.00 LA1 ATOM 670 H14Y POPE 1 13.736 8.306 0.309 1.00 0.00 LA1 ATOM 671 C315 POPE 1 13.184 6.924 -1.253 1.00 0.00 LA1 ATOM 672 H15X POPE 1 14.041 6.240 -1.089 1.00 0.00 LA1 ATOM 673 H15Y POPE 1 12.310 6.302 -1.547 1.00 0.00 LA1 ATOM 674 C316 POPE 1 13.535 7.877 -2.401 1.00 0.00 LA1 ATOM 675 H16X POPE 1 13.895 7.310 -3.287 1.00 0.00 LA1 ATOM 676 H16Y POPE 1 14.333 8.583 -2.084 1.00 0.00 LA1 ATOM 677 H16Z POPE 1 12.644 8.467 -2.701 1.00 0.00 LA1 ATOM 678 N POPE 1 0.842 8.913 20.547 1.00 0.00 LA2 ATOM 679 HN1 POPE 1 1.701 8.489 20.989 1.00 0.00 LA2 ATOM 680 HN2 POPE 1 0.739 9.880 20.952 1.00 0.00 LA2 ATOM 681 HN3 POPE 1 -0.007 8.355 20.744 1.00 0.00 LA2 ATOM 682 C12 POPE 1 1.025 9.059 19.066 1.00 0.00 LA2 ATOM 683 H12A POPE 1 1.126 8.046 18.622 1.00 0.00 LA2 ATOM 684 H12B POPE 1 1.967 9.621 18.897 1.00 0.00 LA2 ATOM 685 C11 POPE 1 -0.179 9.805 18.471 1.00 0.00 LA2 ATOM 686 H11A POPE 1 -0.331 10.775 19.003 1.00 0.00 LA2 ATOM 687 H11B POPE 1 0.089 10.034 17.416 1.00 0.00 LA2 ATOM 688 P POPE 1 -2.785 9.499 18.113 1.00 0.00 LA2 ATOM 689 O13 POPE 1 -3.499 8.385 17.458 1.00 0.00 LA2 ATOM 690 O14 POPE 1 -3.462 10.075 19.296 1.00 0.00 LA2 ATOM 691 O11 POPE 1 -2.545 10.665 17.074 1.00 0.00 LA2 ATOM 692 O12 POPE 1 -1.347 8.985 18.536 1.00 0.00 LA2 ATOM 693 C1 POPE 1 -2.049 10.403 15.760 1.00 0.00 LA2 ATOM 694 HA POPE 1 -1.098 9.825 15.781 1.00 0.00 LA2 ATOM 695 HB POPE 1 -2.791 9.810 15.177 1.00 0.00 LA2 ATOM 696 C2 POPE 1 -1.781 11.729 14.998 1.00 0.00 LA2 ATOM 697 HS POPE 1 -2.772 12.232 14.892 1.00 0.00 LA2 ATOM 698 O21 POPE 1 -1.241 11.393 13.706 1.00 0.00 LA2 ATOM 699 C21 POPE 1 -1.502 12.240 12.720 1.00 0.00 LA2 ATOM 700 O22 POPE 1 -2.148 13.269 12.808 1.00 0.00 LA2 ATOM 701 C22 POPE 1 -0.886 11.692 11.432 1.00 0.00 LA2 ATOM 702 H2R POPE 1 0.214 11.626 11.561 1.00 0.00 LA2 ATOM 703 H2S POPE 1 -1.285 10.669 11.266 1.00 0.00 LA2 ATOM 704 C3 POPE 1 -0.858 12.735 15.756 1.00 0.00 LA2 ATOM 705 HX POPE 1 -0.811 13.673 15.154 1.00 0.00 LA2 ATOM 706 HY POPE 1 -1.354 12.975 16.724 1.00 0.00 LA2 ATOM 707 O31 POPE 1 0.475 12.227 15.986 1.00 0.00 LA2 ATOM 708 C31 POPE 1 1.270 13.088 16.641 1.00 0.00 LA2 ATOM 709 O32 POPE 1 0.906 14.151 17.113 1.00 0.00 LA2 ATOM 710 C32 POPE 1 2.711 12.563 16.694 1.00 0.00 LA2 ATOM 711 H2X POPE 1 3.125 12.817 17.693 1.00 0.00 LA2 ATOM 712 H2Y POPE 1 2.724 11.459 16.583 1.00 0.00 LA2 ATOM 713 C23 POPE 1 -1.217 12.563 10.201 1.00 0.00 LA2 ATOM 714 H3R POPE 1 -2.322 12.677 10.117 1.00 0.00 LA2 ATOM 715 H3S POPE 1 -0.777 13.578 10.322 1.00 0.00 LA2 ATOM 716 C24 POPE 1 -0.688 11.918 8.917 1.00 0.00 LA2 ATOM 717 H4R POPE 1 0.425 11.878 8.946 1.00 0.00 LA2 ATOM 718 H4S POPE 1 -1.051 10.864 8.881 1.00 0.00 LA2 ATOM 719 C25 POPE 1 -1.134 12.612 7.624 1.00 0.00 LA2 ATOM 720 H5R POPE 1 -2.245 12.688 7.609 1.00 0.00 LA2 ATOM 721 H5S POPE 1 -0.711 13.640 7.577 1.00 0.00 LA2 ATOM 722 C26 POPE 1 -0.667 11.788 6.420 1.00 0.00 LA2 ATOM 723 H6R POPE 1 0.444 11.754 6.424 1.00 0.00 LA2 ATOM 724 H6S POPE 1 -1.025 10.743 6.551 1.00 0.00 LA2 ATOM 725 C27 POPE 1 -1.134 12.283 5.047 1.00 0.00 LA2 ATOM 726 H7R POPE 1 -2.233 12.456 5.059 1.00 0.00 LA2 ATOM 727 H7S POPE 1 -0.631 13.254 4.836 1.00 0.00 LA2 ATOM 728 C28 POPE 1 -0.792 11.235 3.968 1.00 0.00 LA2 ATOM 729 H8R POPE 1 0.209 10.832 4.230 1.00 0.00 LA2 ATOM 730 H8S POPE 1 -1.505 10.386 4.056 1.00 0.00 LA2 ATOM 731 C29 POPE 1 -0.715 11.783 2.570 1.00 0.00 LA2 ATOM 732 H91 POPE 1 -0.092 12.685 2.483 1.00 0.00 LA2 ATOM 733 C210 POPE 1 -1.244 11.264 1.447 1.00 0.00 LA2 ATOM 734 H101 POPE 1 -1.110 11.827 0.514 1.00 0.00 LA2 ATOM 735 C211 POPE 1 -2.109 10.038 1.318 1.00 0.00 LA2 ATOM 736 H11R POPE 1 -1.887 9.303 2.124 1.00 0.00 LA2 ATOM 737 H11S POPE 1 -3.175 10.338 1.431 1.00 0.00 LA2 ATOM 738 C212 POPE 1 -1.996 9.328 -0.051 1.00 0.00 LA2 ATOM 739 H12R POPE 1 -0.955 9.018 -0.253 1.00 0.00 LA2 ATOM 740 H12S POPE 1 -2.588 8.388 0.002 1.00 0.00 LA2 ATOM 741 C213 POPE 1 -2.487 10.158 -1.251 1.00 0.00 LA2 ATOM 742 H13R POPE 1 -3.540 10.460 -1.079 1.00 0.00 LA2 ATOM 743 H13S POPE 1 -1.887 11.088 -1.341 1.00 0.00 LA2 ATOM 744 C214 POPE 1 -2.386 9.394 -2.582 1.00 0.00 LA2 ATOM 745 H14R POPE 1 -1.314 9.153 -2.764 1.00 0.00 LA2 ATOM 746 H14S POPE 1 -2.944 8.436 -2.510 1.00 0.00 LA2 ATOM 747 C215 POPE 1 -2.928 10.203 -3.769 1.00 0.00 LA2 ATOM 748 H15R POPE 1 -4.033 10.300 -3.686 1.00 0.00 LA2 ATOM 749 H15S POPE 1 -2.499 11.229 -3.720 1.00 0.00 LA2 ATOM 750 C216 POPE 1 -2.568 9.600 -5.135 1.00 0.00 LA2 ATOM 751 H16R POPE 1 -1.469 9.438 -5.194 1.00 0.00 LA2 ATOM 752 H16S POPE 1 -3.050 8.606 -5.249 1.00 0.00 LA2 ATOM 753 C217 POPE 1 -2.987 10.521 -6.286 1.00 0.00 LA2 ATOM 754 H17R POPE 1 -4.089 10.662 -6.248 1.00 0.00 LA2 ATOM 755 H17S POPE 1 -2.531 11.522 -6.121 1.00 0.00 LA2 ATOM 756 C218 POPE 1 -2.573 10.014 -7.668 1.00 0.00 LA2 ATOM 757 H18R POPE 1 -2.840 10.752 -8.454 1.00 0.00 LA2 ATOM 758 H18S POPE 1 -1.475 9.844 -7.705 1.00 0.00 LA2 ATOM 759 H18T POPE 1 -3.081 9.052 -7.894 1.00 0.00 LA2 ATOM 760 C33 POPE 1 3.590 13.211 15.596 1.00 0.00 LA2 ATOM 761 H3X POPE 1 3.755 14.289 15.831 1.00 0.00 LA2 ATOM 762 H3Y POPE 1 4.585 12.712 15.595 1.00 0.00 LA2 ATOM 763 C34 POPE 1 2.968 13.097 14.196 1.00 0.00 LA2 ATOM 764 H4X POPE 1 2.631 12.049 14.028 1.00 0.00 LA2 ATOM 765 H4Y POPE 1 2.069 13.753 14.149 1.00 0.00 LA2 ATOM 766 C35 POPE 1 3.904 13.495 13.048 1.00 0.00 LA2 ATOM 767 H5X POPE 1 4.384 14.475 13.265 1.00 0.00 LA2 ATOM 768 H5Y POPE 1 4.713 12.736 12.955 1.00 0.00 LA2 ATOM 769 C36 POPE 1 3.123 13.597 11.732 1.00 0.00 LA2 ATOM 770 H6X POPE 1 2.482 12.694 11.623 1.00 0.00 LA2 ATOM 771 H6Y POPE 1 2.447 14.480 11.788 1.00 0.00 LA2 ATOM 772 C37 POPE 1 4.012 13.715 10.490 1.00 0.00 LA2 ATOM 773 H7X POPE 1 4.735 14.549 10.628 1.00 0.00 LA2 ATOM 774 H7Y POPE 1 4.593 12.772 10.374 1.00 0.00 LA2 ATOM 775 C38 POPE 1 3.171 13.971 9.232 1.00 0.00 LA2 ATOM 776 H8X POPE 1 2.308 13.268 9.228 1.00 0.00 LA2 ATOM 777 H8Y POPE 1 2.760 15.005 9.282 1.00 0.00 LA2 ATOM 778 C39 POPE 1 3.933 13.786 7.912 1.00 0.00 LA2 ATOM 779 H9X POPE 1 4.853 14.411 7.917 1.00 0.00 LA2 ATOM 780 H9Y POPE 1 4.243 12.720 7.820 1.00 0.00 LA2 ATOM 781 C310 POPE 1 3.052 14.169 6.714 1.00 0.00 LA2 ATOM 782 H10X POPE 1 2.082 13.629 6.803 1.00 0.00 LA2 ATOM 783 H10Y POPE 1 2.831 15.258 6.766 1.00 0.00 LA2 ATOM 784 C311 POPE 1 3.666 13.843 5.346 1.00 0.00 LA2 ATOM 785 H11X POPE 1 4.640 14.371 5.243 1.00 0.00 LA2 ATOM 786 H11Y POPE 1 3.867 12.752 5.284 1.00 0.00 LA2 ATOM 787 C312 POPE 1 2.736 14.246 4.193 1.00 0.00 LA2 ATOM 788 H12X POPE 1 1.747 13.753 4.335 1.00 0.00 LA2 ATOM 789 H12Y POPE 1 2.576 15.345 4.230 1.00 0.00 LA2 ATOM 790 C313 POPE 1 3.290 13.865 2.815 1.00 0.00 LA2 ATOM 791 H13X POPE 1 4.326 14.258 2.721 1.00 0.00 LA2 ATOM 792 H13Y POPE 1 3.343 12.757 2.742 1.00 0.00 LA2 ATOM 793 C314 POPE 1 2.449 14.413 1.652 1.00 0.00 LA2 ATOM 794 H14X POPE 1 1.385 14.120 1.779 1.00 0.00 LA2 ATOM 795 H14Y POPE 1 2.504 15.518 1.674 1.00 0.00 LA2 ATOM 796 C315 POPE 1 2.953 13.931 0.289 1.00 0.00 LA2 ATOM 797 H15X POPE 1 4.021 14.232 0.177 1.00 0.00 LA2 ATOM 798 H15Y POPE 1 2.913 12.819 0.290 1.00 0.00 LA2 ATOM 799 C316 POPE 1 2.180 14.439 -0.925 1.00 0.00 LA2 ATOM 800 H16X POPE 1 2.429 15.496 -1.124 1.00 0.00 LA2 ATOM 801 H16Y POPE 1 1.083 14.342 -0.776 1.00 0.00 LA2 ATOM 802 H16Z POPE 1 2.469 13.858 -1.830 1.00 0.00 LA2 ATOM 803 N POPE 1 -6.811 8.218 20.471 1.00 0.00 LA3 ATOM 804 HN1 POPE 1 -6.633 9.160 20.872 1.00 0.00 LA3 ATOM 805 HN2 POPE 1 -7.847 8.074 20.367 1.00 0.00 LA3 ATOM 806 HN3 POPE 1 -6.420 7.495 21.125 1.00 0.00 LA3 ATOM 807 C12 POPE 1 -6.133 8.068 19.130 1.00 0.00 LA3 ATOM 808 H12A POPE 1 -5.186 7.511 19.286 1.00 0.00 LA3 ATOM 809 H12B POPE 1 -5.887 9.086 18.761 1.00 0.00 LA3 ATOM 810 C11 POPE 1 -7.026 7.350 18.095 1.00 0.00 LA3 ATOM 811 H11A POPE 1 -7.942 7.976 17.951 1.00 0.00 LA3 ATOM 812 H11B POPE 1 -6.475 7.337 17.125 1.00 0.00 LA3 ATOM 813 P POPE 1 -8.665 5.279 18.061 1.00 0.00 LA3 ATOM 814 O13 POPE 1 -8.396 3.895 17.594 1.00 0.00 LA3 ATOM 815 O14 POPE 1 -9.600 5.406 19.195 1.00 0.00 LA3 ATOM 816 O11 POPE 1 -9.265 6.135 16.900 1.00 0.00 LA3 ATOM 817 O12 POPE 1 -7.322 6.002 18.476 1.00 0.00 LA3 ATOM 818 C1 POPE 1 -8.825 6.023 15.551 1.00 0.00 LA3 ATOM 819 HA POPE 1 -7.731 6.216 15.455 1.00 0.00 LA3 ATOM 820 HB POPE 1 -9.043 5.004 15.155 1.00 0.00 LA3 ATOM 821 C2 POPE 1 -9.599 7.058 14.697 1.00 0.00 LA3 ATOM 822 HS POPE 1 -10.681 6.841 14.879 1.00 0.00 LA3 ATOM 823 O21 POPE 1 -9.273 6.881 13.306 1.00 0.00 LA3 ATOM 824 C21 POPE 1 -10.232 7.250 12.456 1.00 0.00 LA3 ATOM 825 O22 POPE 1 -11.362 7.583 12.755 1.00 0.00 LA3 ATOM 826 C22 POPE 1 -9.670 7.220 11.037 1.00 0.00 LA3 ATOM 827 H2R POPE 1 -8.883 8.004 10.970 1.00 0.00 LA3 ATOM 828 H2S POPE 1 -9.194 6.233 10.862 1.00 0.00 LA3 ATOM 829 C3 POPE 1 -9.341 8.531 15.145 1.00 0.00 LA3 ATOM 830 HX POPE 1 -9.944 9.211 14.503 1.00 0.00 LA3 ATOM 831 HY POPE 1 -9.733 8.608 16.185 1.00 0.00 LA3 ATOM 832 O31 POPE 1 -7.942 8.902 15.068 1.00 0.00 LA3 ATOM 833 C31 POPE 1 -7.575 9.922 15.851 1.00 0.00 LA3 ATOM 834 O32 POPE 1 -8.296 10.488 16.655 1.00 0.00 LA3 ATOM 835 C32 POPE 1 -6.095 10.268 15.658 1.00 0.00 LA3 ATOM 836 H2X POPE 1 -5.723 10.638 16.639 1.00 0.00 LA3 ATOM 837 H2Y POPE 1 -5.516 9.358 15.403 1.00 0.00 LA3 ATOM 838 C23 POPE 1 -10.726 7.483 9.935 1.00 0.00 LA3 ATOM 839 H3R POPE 1 -11.510 6.692 9.960 1.00 0.00 LA3 ATOM 840 H3S POPE 1 -11.221 8.465 10.102 1.00 0.00 LA3 ATOM 841 C24 POPE 1 -10.014 7.490 8.579 1.00 0.00 LA3 ATOM 842 H4R POPE 1 -9.297 8.343 8.574 1.00 0.00 LA3 ATOM 843 H4S POPE 1 -9.415 6.555 8.512 1.00 0.00 LA3 ATOM 844 C25 POPE 1 -10.864 7.595 7.305 1.00 0.00 LA3 ATOM 845 H5R POPE 1 -11.633 6.790 7.283 1.00 0.00 LA3 ATOM 846 H5S POPE 1 -11.380 8.580 7.277 1.00 0.00 LA3 ATOM 847 C26 POPE 1 -9.922 7.448 6.099 1.00 0.00 LA3 ATOM 848 H6R POPE 1 -9.085 8.176 6.206 1.00 0.00 LA3 ATOM 849 H6S POPE 1 -9.480 6.431 6.152 1.00 0.00 LA3 ATOM 850 C27 POPE 1 -10.535 7.634 4.705 1.00 0.00 LA3 ATOM 851 H7R POPE 1 -11.425 6.976 4.592 1.00 0.00 LA3 ATOM 852 H7S POPE 1 -10.866 8.691 4.602 1.00 0.00 LA3 ATOM 853 C28 POPE 1 -9.492 7.287 3.617 1.00 0.00 LA3 ATOM 854 H8R POPE 1 -8.538 7.778 3.910 1.00 0.00 LA3 ATOM 855 H8S POPE 1 -9.310 6.191 3.655 1.00 0.00 LA3 ATOM 856 C29 POPE 1 -9.851 7.743 2.225 1.00 0.00 LA3 ATOM 857 H91 POPE 1 -10.142 8.803 2.153 1.00 0.00 LA3 ATOM 858 C210 POPE 1 -9.783 7.018 1.092 1.00 0.00 LA3 ATOM 859 H101 POPE 1 -10.117 7.487 0.155 1.00 0.00 LA3 ATOM 860 C211 POPE 1 -9.392 5.567 0.959 1.00 0.00 LA3 ATOM 861 H11R POPE 1 -8.801 5.214 1.833 1.00 0.00 LA3 ATOM 862 H11S POPE 1 -10.314 4.949 0.922 1.00 0.00 LA3 ATOM 863 C212 POPE 1 -8.601 5.254 -0.327 1.00 0.00 LA3 ATOM 864 H12R POPE 1 -7.656 5.829 -0.342 1.00 0.00 LA3 ATOM 865 H12S POPE 1 -8.303 4.186 -0.304 1.00 0.00 LA3 ATOM 866 C213 POPE 1 -9.372 5.515 -1.629 1.00 0.00 LA3 ATOM 867 H13R POPE 1 -10.387 5.068 -1.561 1.00 0.00 LA3 ATOM 868 H13S POPE 1 -9.490 6.612 -1.767 1.00 0.00 LA3 ATOM 869 C214 POPE 1 -8.664 4.927 -2.856 1.00 0.00 LA3 ATOM 870 H14R POPE 1 -7.589 5.208 -2.823 1.00 0.00 LA3 ATOM 871 H14S POPE 1 -8.711 3.818 -2.816 1.00 0.00 LA3 ATOM 872 C215 POPE 1 -9.289 5.411 -4.169 1.00 0.00 LA3 ATOM 873 H15R POPE 1 -10.353 5.088 -4.204 1.00 0.00 LA3 ATOM 874 H15S POPE 1 -9.269 6.524 -4.192 1.00 0.00 LA3 ATOM 875 C216 POPE 1 -8.566 4.870 -5.409 1.00 0.00 LA3 ATOM 876 H16R POPE 1 -7.492 5.153 -5.365 1.00 0.00 LA3 ATOM 877 H16S POPE 1 -8.622 3.759 -5.396 1.00 0.00 LA3 ATOM 878 C217 POPE 1 -9.182 5.400 -6.707 1.00 0.00 LA3 ATOM 879 H17R POPE 1 -10.270 5.176 -6.689 1.00 0.00 LA3 ATOM 880 H17S POPE 1 -9.073 6.508 -6.731 1.00 0.00 LA3 ATOM 881 C218 POPE 1 -8.582 4.795 -7.977 1.00 0.00 LA3 ATOM 882 H18R POPE 1 -9.054 5.242 -8.878 1.00 0.00 LA3 ATOM 883 H18S POPE 1 -7.487 4.976 -8.019 1.00 0.00 LA3 ATOM 884 H18T POPE 1 -8.763 3.699 -8.002 1.00 0.00 LA3 ATOM 885 C33 POPE 1 -5.868 11.376 14.600 1.00 0.00 LA3 ATOM 886 H3X POPE 1 -6.469 12.279 14.843 1.00 0.00 LA3 ATOM 887 H3Y POPE 1 -4.798 11.675 14.658 1.00 0.00 LA3 ATOM 888 C34 POPE 1 -6.151 10.929 13.159 1.00 0.00 LA3 ATOM 889 H4X POPE 1 -5.618 9.968 12.977 1.00 0.00 LA3 ATOM 890 H4Y POPE 1 -7.240 10.738 13.029 1.00 0.00 LA3 ATOM 891 C35 POPE 1 -5.688 11.946 12.103 1.00 0.00 LA3 ATOM 892 H5X POPE 1 -6.241 12.901 12.240 1.00 0.00 LA3 ATOM 893 H5Y POPE 1 -4.605 12.161 12.249 1.00 0.00 LA3 ATOM 894 C36 POPE 1 -5.905 11.420 10.677 1.00 0.00 LA3 ATOM 895 H6X POPE 1 -5.289 10.501 10.544 1.00 0.00 LA3 ATOM 896 H6Y POPE 1 -6.972 11.122 10.564 1.00 0.00 LA3 ATOM 897 C37 POPE 1 -5.555 12.423 9.565 1.00 0.00 LA3 ATOM 898 H7X POPE 1 -6.265 13.276 9.597 1.00 0.00 LA3 ATOM 899 H7Y POPE 1 -4.533 12.826 9.729 1.00 0.00 LA3 ATOM 900 C38 POPE 1 -5.622 11.737 8.195 1.00 0.00 LA3 ATOM 901 H8X POPE 1 -4.833 10.953 8.179 1.00 0.00 LA3 ATOM 902 H8Y POPE 1 -6.608 11.227 8.110 1.00 0.00 LA3 ATOM 903 C39 POPE 1 -5.445 12.637 6.959 1.00 0.00 LA3 ATOM 904 H9X POPE 1 -6.237 13.417 6.956 1.00 0.00 LA3 ATOM 905 H9Y POPE 1 -4.461 13.151 6.998 1.00 0.00 LA3 ATOM 906 C310 POPE 1 -5.549 11.800 5.669 1.00 0.00 LA3 ATOM 907 H10X POPE 1 -4.757 11.018 5.684 1.00 0.00 LA3 ATOM 908 H10Y POPE 1 -6.534 11.281 5.670 1.00 0.00 LA3 ATOM 909 C311 POPE 1 -5.432 12.574 4.350 1.00 0.00 LA3 ATOM 910 H11X POPE 1 -6.158 13.416 4.348 1.00 0.00 LA3 ATOM 911 H11Y POPE 1 -4.409 13.001 4.259 1.00 0.00 LA3 ATOM 912 C312 POPE 1 -5.717 11.654 3.150 1.00 0.00 LA3 ATOM 913 H12X POPE 1 -5.032 10.778 3.190 1.00 0.00 LA3 ATOM 914 H12Y POPE 1 -6.761 11.275 3.229 1.00 0.00 LA3 ATOM 915 C313 POPE 1 -5.542 12.349 1.797 1.00 0.00 LA3 ATOM 916 H13X POPE 1 -6.133 13.291 1.795 1.00 0.00 LA3 ATOM 917 H13Y POPE 1 -4.471 12.619 1.670 1.00 0.00 LA3 ATOM 918 C314 POPE 1 -5.985 11.481 0.608 1.00 0.00 LA3 ATOM 919 H14X POPE 1 -5.407 10.532 0.608 1.00 0.00 LA3 ATOM 920 H14Y POPE 1 -7.061 11.225 0.727 1.00 0.00 LA3 ATOM 921 C315 POPE 1 -5.773 12.200 -0.729 1.00 0.00 LA3 ATOM 922 H15X POPE 1 -6.242 13.205 -0.663 1.00 0.00 LA3 ATOM 923 H15Y POPE 1 -4.685 12.353 -0.866 1.00 0.00 LA3 ATOM 924 C316 POPE 1 -6.292 11.465 -1.964 1.00 0.00 LA3 ATOM 925 H16X POPE 1 -7.347 11.151 -1.825 1.00 0.00 LA3 ATOM 926 H16Y POPE 1 -5.676 10.561 -2.156 1.00 0.00 LA3 ATOM 927 H16Z POPE 1 -6.237 12.120 -2.860 1.00 0.00 LA3 ATOM 928 N POPE 1 -9.279 1.683 18.840 1.00 0.00 LA4 ATOM 929 HN1 POPE 1 -9.044 2.474 18.178 1.00 0.00 LA4 ATOM 930 HN2 POPE 1 -9.231 2.058 19.805 1.00 0.00 LA4 ATOM 931 HN3 POPE 1 -8.569 0.927 18.723 1.00 0.00 LA4 ATOM 932 C12 POPE 1 -10.620 1.054 18.559 1.00 0.00 LA4 ATOM 933 H12A POPE 1 -10.807 1.140 17.470 1.00 0.00 LA4 ATOM 934 H12B POPE 1 -11.395 1.626 19.110 1.00 0.00 LA4 ATOM 935 C11 POPE 1 -10.633 -0.439 18.955 1.00 0.00 LA4 ATOM 936 H11A POPE 1 -10.612 -0.535 20.067 1.00 0.00 LA4 ATOM 937 H11B POPE 1 -11.606 -0.864 18.600 1.00 0.00 LA4 ATOM 938 P POPE 1 -9.554 -2.712 18.236 1.00 0.00 LA4 ATOM 939 O13 POPE 1 -8.257 -3.188 17.700 1.00 0.00 LA4 ATOM 940 O14 POPE 1 -9.989 -3.302 19.521 1.00 0.00 LA4 ATOM 941 O11 POPE 1 -10.708 -2.899 17.159 1.00 0.00 LA4 ATOM 942 O12 POPE 1 -9.505 -1.125 18.391 1.00 0.00 LA4 ATOM 943 C1 POPE 1 -10.507 -2.433 15.820 1.00 0.00 LA4 ATOM 944 HA POPE 1 -10.129 -1.384 15.795 1.00 0.00 LA4 ATOM 945 HB POPE 1 -9.754 -3.083 15.315 1.00 0.00 LA4 ATOM 946 C2 POPE 1 -11.813 -2.480 14.972 1.00 0.00 LA4 ATOM 947 HS POPE 1 -12.229 -3.510 15.078 1.00 0.00 LA4 ATOM 948 O21 POPE 1 -11.454 -2.219 13.604 1.00 0.00 LA4 ATOM 949 C21 POPE 1 -12.227 -2.762 12.667 1.00 0.00 LA4 ATOM 950 O22 POPE 1 -13.120 -3.568 12.854 1.00 0.00 LA4 ATOM 951 C22 POPE 1 -11.798 -2.207 11.307 1.00 0.00 LA4 ATOM 952 H2R POPE 1 -12.115 -1.141 11.265 1.00 0.00 LA4 ATOM 953 H2S POPE 1 -10.690 -2.249 11.248 1.00 0.00 LA4 ATOM 954 C3 POPE 1 -12.917 -1.471 15.425 1.00 0.00 LA4 ATOM 955 HX POPE 1 -13.781 -1.515 14.721 1.00 0.00 LA4 ATOM 956 HY POPE 1 -13.293 -1.826 16.409 1.00 0.00 LA4 ATOM 957 O31 POPE 1 -12.420 -0.123 15.590 1.00 0.00 LA4 ATOM 958 C31 POPE 1 -12.477 0.685 14.527 1.00 0.00 LA4 ATOM 959 O32 POPE 1 -12.948 0.410 13.442 1.00 0.00 LA4 ATOM 960 C32 POPE 1 -11.796 2.018 14.883 1.00 0.00 LA4 ATOM 961 H2X POPE 1 -12.131 2.351 15.886 1.00 0.00 LA4 ATOM 962 H2Y POPE 1 -10.702 1.826 14.910 1.00 0.00 LA4 ATOM 963 C23 POPE 1 -12.385 -2.950 10.083 1.00 0.00 LA4 ATOM 964 H3R POPE 1 -12.211 -4.044 10.164 1.00 0.00 LA4 ATOM 965 H3S POPE 1 -13.481 -2.783 10.049 1.00 0.00 LA4 ATOM 966 C24 POPE 1 -11.720 -2.411 8.811 1.00 0.00 LA4 ATOM 967 H4R POPE 1 -11.829 -1.303 8.823 1.00 0.00 LA4 ATOM 968 H4S POPE 1 -10.632 -2.643 8.867 1.00 0.00 LA4 ATOM 969 C25 POPE 1 -12.258 -2.906 7.462 1.00 0.00 LA4 ATOM 970 H5R POPE 1 -12.387 -4.010 7.469 1.00 0.00 LA4 ATOM 971 H5S POPE 1 -13.251 -2.442 7.279 1.00 0.00 LA4 ATOM 972 C26 POPE 1 -11.288 -2.498 6.340 1.00 0.00 LA4 ATOM 973 H6R POPE 1 -10.964 -1.453 6.540 1.00 0.00 LA4 ATOM 974 H6S POPE 1 -10.378 -3.129 6.398 1.00 0.00 LA4 ATOM 975 C27 POPE 1 -11.856 -2.533 4.913 1.00 0.00 LA4 ATOM 976 H7R POPE 1 -12.278 -3.538 4.693 1.00 0.00 LA4 ATOM 977 H7S POPE 1 -12.690 -1.797 4.872 1.00 0.00 LA4 ATOM 978 C28 POPE 1 -10.770 -2.183 3.865 1.00 0.00 LA4 ATOM 979 H8R POPE 1 -10.031 -1.523 4.365 1.00 0.00 LA4 ATOM 980 H8S POPE 1 -10.221 -3.111 3.606 1.00 0.00 LA4 ATOM 981 C29 POPE 1 -11.279 -1.468 2.636 1.00 0.00 LA4 ATOM 982 H91 POPE 1 -12.035 -0.695 2.838 1.00 0.00 LA4 ATOM 983 C210 POPE 1 -10.834 -1.609 1.370 1.00 0.00 LA4 ATOM 984 H101 POPE 1 -11.339 -1.054 0.570 1.00 0.00 LA4 ATOM 985 C211 POPE 1 -9.780 -2.568 0.893 1.00 0.00 LA4 ATOM 986 H11R POPE 1 -9.021 -2.732 1.688 1.00 0.00 LA4 ATOM 987 H11S POPE 1 -10.277 -3.541 0.705 1.00 0.00 LA4 ATOM 988 C212 POPE 1 -9.043 -2.216 -0.422 1.00 0.00 LA4 ATOM 989 H12R POPE 1 -8.680 -1.170 -0.404 1.00 0.00 LA4 ATOM 990 H12S POPE 1 -8.141 -2.864 -0.486 1.00 0.00 LA4 ATOM 991 C213 POPE 1 -9.872 -2.458 -1.693 1.00 0.00 LA4 ATOM 992 H13R POPE 1 -10.285 -3.488 -1.669 1.00 0.00 LA4 ATOM 993 H13S POPE 1 -10.732 -1.759 -1.700 1.00 0.00 LA4 ATOM 994 C214 POPE 1 -9.080 -2.290 -3.000 1.00 0.00 LA4 ATOM 995 H14R POPE 1 -8.705 -1.243 -3.057 1.00 0.00 LA4 ATOM 996 H14S POPE 1 -8.198 -2.969 -2.993 1.00 0.00 LA4 ATOM 997 C215 POPE 1 -9.939 -2.599 -4.238 1.00 0.00 LA4 ATOM 998 H15R POPE 1 -10.241 -3.671 -4.222 1.00 0.00 LA4 ATOM 999 H15S POPE 1 -10.862 -1.983 -4.189 1.00 0.00 LA4 ATOM 1000 C216 POPE 1 -9.232 -2.284 -5.562 1.00 0.00 LA4 ATOM 1001 H16R POPE 1 -8.975 -1.203 -5.564 1.00 0.00 LA4 ATOM 1002 H16S POPE 1 -8.287 -2.866 -5.632 1.00 0.00 LA4 ATOM 1003 C217 POPE 1 -10.101 -2.547 -6.797 1.00 0.00 LA4 ATOM 1004 H17R POPE 1 -10.437 -3.608 -6.790 1.00 0.00 LA4 ATOM 1005 H17S POPE 1 -11.013 -1.909 -6.733 1.00 0.00 LA4 ATOM 1006 C218 POPE 1 -9.374 -2.252 -8.112 1.00 0.00 LA4 ATOM 1007 H18R POPE 1 -10.054 -2.401 -8.979 1.00 0.00 LA4 ATOM 1008 H18S POPE 1 -9.007 -1.203 -8.129 1.00 0.00 LA4 ATOM 1009 H18T POPE 1 -8.499 -2.928 -8.226 1.00 0.00 LA4 ATOM 1010 C33 POPE 1 -12.081 3.135 13.853 1.00 0.00 LA4 ATOM 1011 H3X POPE 1 -11.435 4.014 14.079 1.00 0.00 LA4 ATOM 1012 H3Y POPE 1 -11.790 2.762 12.846 1.00 0.00 LA4 ATOM 1013 C34 POPE 1 -13.543 3.616 13.835 1.00 0.00 LA4 ATOM 1014 H4X POPE 1 -14.220 2.741 13.699 1.00 0.00 LA4 ATOM 1015 H4Y POPE 1 -13.798 4.085 14.812 1.00 0.00 LA4 ATOM 1016 C35 POPE 1 -13.845 4.610 12.697 1.00 0.00 LA4 ATOM 1017 H5X POPE 1 -14.905 4.941 12.790 1.00 0.00 LA4 ATOM 1018 H5Y POPE 1 -13.203 5.513 12.788 1.00 0.00 LA4 ATOM 1019 C36 POPE 1 -13.650 3.958 11.324 1.00 0.00 LA4 ATOM 1020 H6X POPE 1 -12.564 3.810 11.136 1.00 0.00 LA4 ATOM 1021 H6Y POPE 1 -14.132 2.951 11.347 1.00 0.00 LA4 ATOM 1022 C37 POPE 1 -14.244 4.729 10.143 1.00 0.00 LA4 ATOM 1023 H7X POPE 1 -15.352 4.734 10.246 1.00 0.00 LA4 ATOM 1024 H7Y POPE 1 -13.893 5.783 10.142 1.00 0.00 LA4 ATOM 1025 C38 POPE 1 -13.837 4.037 8.839 1.00 0.00 LA4 ATOM 1026 H8X POPE 1 -12.738 4.147 8.700 1.00 0.00 LA4 ATOM 1027 H8Y POPE 1 -14.052 2.948 8.945 1.00 0.00 LA4 ATOM 1028 C39 POPE 1 -14.557 4.540 7.590 1.00 0.00 LA4 ATOM 1029 H9X POPE 1 -15.655 4.422 7.730 1.00 0.00 LA4 ATOM 1030 H9Y POPE 1 -14.337 5.619 7.438 1.00 0.00 LA4 ATOM 1031 C310 POPE 1 -14.108 3.733 6.371 1.00 0.00 LA4 ATOM 1032 H10X POPE 1 -13.044 3.976 6.156 1.00 0.00 LA4 ATOM 1033 H10Y POPE 1 -14.173 2.649 6.619 1.00 0.00 LA4 ATOM 1034 C311 POPE 1 -14.923 3.988 5.108 1.00 0.00 LA4 ATOM 1035 H11X POPE 1 -16.004 3.847 5.326 1.00 0.00 LA4 ATOM 1036 H11Y POPE 1 -14.773 5.045 4.801 1.00 0.00 LA4 ATOM 1037 C312 POPE 1 -14.508 3.053 3.963 1.00 0.00 LA4 ATOM 1038 H12X POPE 1 -13.778 2.296 4.328 1.00 0.00 LA4 ATOM 1039 H12Y POPE 1 -15.406 2.503 3.601 1.00 0.00 LA4 ATOM 1040 C313 POPE 1 -13.900 3.830 2.796 1.00 0.00 LA4 ATOM 1041 H13X POPE 1 -14.595 4.659 2.530 1.00 0.00 LA4 ATOM 1042 H13Y POPE 1 -12.938 4.290 3.116 1.00 0.00 LA4 ATOM 1043 C314 POPE 1 -13.664 2.982 1.543 1.00 0.00 LA4 ATOM 1044 H14X POPE 1 -12.882 2.224 1.740 1.00 0.00 LA4 ATOM 1045 H14Y POPE 1 -14.590 2.433 1.275 1.00 0.00 LA4 ATOM 1046 C315 POPE 1 -13.269 3.897 0.384 1.00 0.00 LA4 ATOM 1047 H15X POPE 1 -14.052 4.682 0.316 1.00 0.00 LA4 ATOM 1048 H15Y POPE 1 -12.316 4.405 0.641 1.00 0.00 LA4 ATOM 1049 C316 POPE 1 -13.154 3.254 -0.993 1.00 0.00 LA4 ATOM 1050 H16X POPE 1 -13.361 2.166 -0.944 1.00 0.00 LA4 ATOM 1051 H16Y POPE 1 -12.138 3.416 -1.411 1.00 0.00 LA4 ATOM 1052 H16Z POPE 1 -13.880 3.714 -1.695 1.00 0.00 LA4 ATOM 1053 N POPE 1 -7.911 -6.622 20.759 1.00 0.00 LA5 ATOM 1054 HN1 POPE 1 -8.618 -5.973 21.185 1.00 0.00 LA5 ATOM 1055 HN2 POPE 1 -8.234 -7.610 20.947 1.00 0.00 LA5 ATOM 1056 HN3 POPE 1 -6.969 -6.502 21.175 1.00 0.00 LA5 ATOM 1057 C12 POPE 1 -7.886 -6.433 19.268 1.00 0.00 LA5 ATOM 1058 H12A POPE 1 -7.339 -5.496 19.047 1.00 0.00 LA5 ATOM 1059 H12B POPE 1 -8.937 -6.322 18.927 1.00 0.00 LA5 ATOM 1060 C11 POPE 1 -7.233 -7.647 18.585 1.00 0.00 LA5 ATOM 1061 H11A POPE 1 -7.856 -8.551 18.795 1.00 0.00 LA5 ATOM 1062 H11B POPE 1 -7.256 -7.467 17.486 1.00 0.00 LA5 ATOM 1063 P POPE 1 -5.132 -9.205 18.861 1.00 0.00 LA5 ATOM 1064 O13 POPE 1 -3.682 -8.919 18.843 1.00 0.00 LA5 ATOM 1065 O14 POPE 1 -5.589 -10.139 19.921 1.00 0.00 LA5 ATOM 1066 O11 POPE 1 -5.600 -9.772 17.460 1.00 0.00 LA5 ATOM 1067 O12 POPE 1 -5.886 -7.820 19.027 1.00 0.00 LA5 ATOM 1068 C1 POPE 1 -5.390 -9.125 16.204 1.00 0.00 LA5 ATOM 1069 HA POPE 1 -5.600 -8.032 16.251 1.00 0.00 LA5 ATOM 1070 HB POPE 1 -4.330 -9.256 15.890 1.00 0.00 LA5 ATOM 1071 C2 POPE 1 -6.305 -9.756 15.107 1.00 0.00 LA5 ATOM 1072 HS POPE 1 -6.098 -10.850 15.137 1.00 0.00 LA5 ATOM 1073 O21 POPE 1 -5.938 -9.226 13.814 1.00 0.00 LA5 ATOM 1074 C21 POPE 1 -6.320 -9.947 12.759 1.00 0.00 LA5 ATOM 1075 O22 POPE 1 -6.879 -11.026 12.796 1.00 0.00 LA5 ATOM 1076 C22 POPE 1 -5.929 -9.209 11.471 1.00 0.00 LA5 ATOM 1077 H2R POPE 1 -6.289 -8.161 11.546 1.00 0.00 LA5 ATOM 1078 H2S POPE 1 -4.821 -9.201 11.411 1.00 0.00 LA5 ATOM 1079 C3 POPE 1 -7.834 -9.588 15.387 1.00 0.00 LA5 ATOM 1080 HX POPE 1 -8.385 -10.269 14.696 1.00 0.00 LA5 ATOM 1081 HY POPE 1 -8.034 -9.931 16.429 1.00 0.00 LA5 ATOM 1082 O31 POPE 1 -8.285 -8.228 15.203 1.00 0.00 LA5 ATOM 1083 C31 POPE 1 -9.603 -8.060 15.362 1.00 0.00 LA5 ATOM 1084 O32 POPE 1 -10.377 -8.918 15.754 1.00 0.00 LA5 ATOM 1085 C32 POPE 1 -10.001 -6.628 14.990 1.00 0.00 LA5 ATOM 1086 H2X POPE 1 -10.243 -6.085 15.927 1.00 0.00 LA5 ATOM 1087 H2Y POPE 1 -9.152 -6.108 14.499 1.00 0.00 LA5 ATOM 1088 C23 POPE 1 -6.513 -9.864 10.194 1.00 0.00 LA5 ATOM 1089 H3R POPE 1 -6.139 -10.909 10.106 1.00 0.00 LA5 ATOM 1090 H3S POPE 1 -7.623 -9.913 10.280 1.00 0.00 LA5 ATOM 1091 C24 POPE 1 -6.152 -9.083 8.918 1.00 0.00 LA5 ATOM 1092 H4R POPE 1 -6.556 -8.049 9.006 1.00 0.00 LA5 ATOM 1093 H4S POPE 1 -5.045 -8.998 8.841 1.00 0.00 LA5 ATOM 1094 C25 POPE 1 -6.690 -9.704 7.615 1.00 0.00 LA5 ATOM 1095 H5R POPE 1 -6.249 -10.716 7.470 1.00 0.00 LA5 ATOM 1096 H5S POPE 1 -7.796 -9.823 7.691 1.00 0.00 LA5 ATOM 1097 C26 POPE 1 -6.365 -8.822 6.397 1.00 0.00 LA5 ATOM 1098 H6R POPE 1 -6.855 -7.832 6.542 1.00 0.00 LA5 ATOM 1099 H6S POPE 1 -5.268 -8.643 6.357 1.00 0.00 LA5 ATOM 1100 C27 POPE 1 -6.830 -9.401 5.049 1.00 0.00 LA5 ATOM 1101 H7R POPE 1 -6.313 -10.368 4.859 1.00 0.00 LA5 ATOM 1102 H7S POPE 1 -7.922 -9.606 5.120 1.00 0.00 LA5 ATOM 1103 C28 POPE 1 -6.555 -8.420 3.887 1.00 0.00 LA5 ATOM 1104 H8R POPE 1 -6.966 -7.447 4.229 1.00 0.00 LA5 ATOM 1105 H8S POPE 1 -5.458 -8.282 3.773 1.00 0.00 LA5 ATOM 1106 C29 POPE 1 -7.220 -8.802 2.585 1.00 0.00 LA5 ATOM 1107 H91 POPE 1 -8.256 -9.158 2.695 1.00 0.00 LA5 ATOM 1108 C210 POPE 1 -6.722 -8.688 1.333 1.00 0.00 LA5 ATOM 1109 H101 POPE 1 -7.341 -9.055 0.500 1.00 0.00 LA5 ATOM 1110 C211 POPE 1 -5.355 -8.198 0.921 1.00 0.00 LA5 ATOM 1111 H11R POPE 1 -4.891 -7.573 1.716 1.00 0.00 LA5 ATOM 1112 H11S POPE 1 -4.698 -9.081 0.778 1.00 0.00 LA5 ATOM 1113 C212 POPE 1 -5.317 -7.412 -0.415 1.00 0.00 LA5 ATOM 1114 H12R POPE 1 -6.006 -6.544 -0.373 1.00 0.00 LA5 ATOM 1115 H12S POPE 1 -4.291 -6.999 -0.547 1.00 0.00 LA5 ATOM 1116 C213 POPE 1 -5.635 -8.262 -1.658 1.00 0.00 LA5 ATOM 1117 H13R POPE 1 -4.848 -9.038 -1.768 1.00 0.00 LA5 ATOM 1118 H13S POPE 1 -6.608 -8.783 -1.529 1.00 0.00 LA5 ATOM 1119 C214 POPE 1 -5.699 -7.451 -2.962 1.00 0.00 LA5 ATOM 1120 H14R POPE 1 -6.569 -6.758 -2.912 1.00 0.00 LA5 ATOM 1121 H14S POPE 1 -4.782 -6.829 -3.057 1.00 0.00 LA5 ATOM 1122 C215 POPE 1 -5.831 -8.350 -4.202 1.00 0.00 LA5 ATOM 1123 H15R POPE 1 -4.880 -8.916 -4.340 1.00 0.00 LA5 ATOM 1124 H15S POPE 1 -6.643 -9.091 -4.031 1.00 0.00 LA5 ATOM 1125 C216 POPE 1 -6.143 -7.570 -5.486 1.00 0.00 LA5 ATOM 1126 H16R POPE 1 -7.089 -7.004 -5.368 1.00 0.00 LA5 ATOM 1127 H16S POPE 1 -5.354 -6.818 -5.665 1.00 0.00 LA5 ATOM 1128 C217 POPE 1 -6.218 -8.455 -6.733 1.00 0.00 LA5 ATOM 1129 H17R POPE 1 -5.314 -9.105 -6.758 1.00 0.00 LA5 ATOM 1130 H17S POPE 1 -7.109 -9.117 -6.660 1.00 0.00 LA5 ATOM 1131 C218 POPE 1 -6.264 -7.644 -8.029 1.00 0.00 LA5 ATOM 1132 H18R POPE 1 -6.409 -8.308 -8.908 1.00 0.00 LA5 ATOM 1133 H18S POPE 1 -7.095 -6.909 -7.994 1.00 0.00 LA5 ATOM 1134 H18T POPE 1 -5.311 -7.087 -8.162 1.00 0.00 LA5 ATOM 1135 C33 POPE 1 -11.221 -6.589 14.041 1.00 0.00 LA5 ATOM 1136 H3X POPE 1 -12.132 -6.938 14.578 1.00 0.00 LA5 ATOM 1137 H3Y POPE 1 -11.392 -5.526 13.752 1.00 0.00 LA5 ATOM 1138 C34 POPE 1 -11.054 -7.428 12.760 1.00 0.00 LA5 ATOM 1139 H4X POPE 1 -9.996 -7.381 12.414 1.00 0.00 LA5 ATOM 1140 H4Y POPE 1 -11.290 -8.495 12.979 1.00 0.00 LA5 ATOM 1141 C35 POPE 1 -11.955 -6.922 11.622 1.00 0.00 LA5 ATOM 1142 H5X POPE 1 -13.010 -6.872 11.971 1.00 0.00 LA5 ATOM 1143 H5Y POPE 1 -11.640 -5.886 11.369 1.00 0.00 LA5 ATOM 1144 C36 POPE 1 -11.886 -7.786 10.353 1.00 0.00 LA5 ATOM 1145 H6X POPE 1 -10.821 -8.003 10.116 1.00 0.00 LA5 ATOM 1146 H6Y POPE 1 -12.392 -8.759 10.548 1.00 0.00 LA5 ATOM 1147 C37 POPE 1 -12.532 -7.098 9.138 1.00 0.00 LA5 ATOM 1148 H7X POPE 1 -13.594 -6.862 9.371 1.00 0.00 LA5 ATOM 1149 H7Y POPE 1 -11.997 -6.138 8.955 1.00 0.00 LA5 ATOM 1150 C38 POPE 1 -12.474 -7.945 7.858 1.00 0.00 LA5 ATOM 1151 H8X POPE 1 -11.426 -8.290 7.708 1.00 0.00 LA5 ATOM 1152 H8Y POPE 1 -13.115 -8.847 7.983 1.00 0.00 LA5 ATOM 1153 C39 POPE 1 -12.921 -7.173 6.605 1.00 0.00 LA5 ATOM 1154 H9X POPE 1 -13.989 -6.882 6.708 1.00 0.00 LA5 ATOM 1155 H9Y POPE 1 -12.324 -6.238 6.515 1.00 0.00 LA5 ATOM 1156 C310 POPE 1 -12.739 -7.995 5.322 1.00 0.00 LA5 ATOM 1157 H10X POPE 1 -11.688 -8.360 5.280 1.00 0.00 LA5 ATOM 1158 H10Y POPE 1 -13.404 -8.885 5.368 1.00 0.00 LA5 ATOM 1159 C311 POPE 1 -13.023 -7.223 4.027 1.00 0.00 LA5 ATOM 1160 H11X POPE 1 -14.070 -6.847 4.039 1.00 0.00 LA5 ATOM 1161 H11Y POPE 1 -12.352 -6.340 3.965 1.00 0.00 LA5 ATOM 1162 C312 POPE 1 -12.812 -8.112 2.792 1.00 0.00 LA5 ATOM 1163 H12X POPE 1 -11.798 -8.570 2.832 1.00 0.00 LA5 ATOM 1164 H12Y POPE 1 -13.555 -8.938 2.835 1.00 0.00 LA5 ATOM 1165 C313 POPE 1 -12.965 -7.364 1.462 1.00 0.00 LA5 ATOM 1166 H13X POPE 1 -13.889 -6.756 1.517 1.00 0.00 LA5 ATOM 1167 H13Y POPE 1 -12.113 -6.663 1.342 1.00 0.00 LA5 ATOM 1168 C314 POPE 1 -13.049 -8.275 0.227 1.00 0.00 LA5 ATOM 1169 H14X POPE 1 -12.093 -8.831 0.127 1.00 0.00 LA5 ATOM 1170 H14Y POPE 1 -13.864 -9.015 0.387 1.00 0.00 LA5 ATOM 1171 C315 POPE 1 -13.348 -7.511 -1.073 1.00 0.00 LA5 ATOM 1172 H15X POPE 1 -14.273 -6.928 -0.892 1.00 0.00 LA5 ATOM 1173 H15Y POPE 1 -12.533 -6.780 -1.268 1.00 0.00 LA5 ATOM 1174 C316 POPE 1 -13.562 -8.368 -2.327 1.00 0.00 LA5 ATOM 1175 H16X POPE 1 -13.968 -7.747 -3.155 1.00 0.00 LA5 ATOM 1176 H16Y POPE 1 -14.279 -9.190 -2.117 1.00 0.00 LA5 ATOM 1177 H16Z POPE 1 -12.606 -8.815 -2.672 1.00 0.00 LA5 ATOM 1178 N POPE 1 -1.172 -8.987 20.039 1.00 0.00 LA6 ATOM 1179 HN1 POPE 1 -2.179 -8.702 20.050 1.00 0.00 LA6 ATOM 1180 HN2 POPE 1 -0.891 -9.500 20.914 1.00 0.00 LA6 ATOM 1181 HN3 POPE 1 -0.556 -8.143 19.936 1.00 0.00 LA6 ATOM 1182 C12 POPE 1 -1.001 -9.885 18.846 1.00 0.00 LA6 ATOM 1183 H12A POPE 1 -1.287 -9.303 17.944 1.00 0.00 LA6 ATOM 1184 H12B POPE 1 -1.710 -10.731 18.967 1.00 0.00 LA6 ATOM 1185 C11 POPE 1 0.431 -10.405 18.718 1.00 0.00 LA6 ATOM 1186 H11A POPE 1 0.748 -10.906 19.661 1.00 0.00 LA6 ATOM 1187 H11B POPE 1 0.406 -11.181 17.919 1.00 0.00 LA6 ATOM 1188 P POPE 1 2.816 -9.696 18.016 1.00 0.00 LA6 ATOM 1189 O13 POPE 1 3.416 -8.495 17.407 1.00 0.00 LA6 ATOM 1190 O14 POPE 1 3.459 -10.242 19.230 1.00 0.00 LA6 ATOM 1191 O11 POPE 1 2.680 -10.860 16.940 1.00 0.00 LA6 ATOM 1192 O12 POPE 1 1.318 -9.338 18.380 1.00 0.00 LA6 ATOM 1193 C1 POPE 1 2.059 -10.550 15.683 1.00 0.00 LA6 ATOM 1194 HA POPE 1 1.138 -9.928 15.801 1.00 0.00 LA6 ATOM 1195 HB POPE 1 2.778 -9.982 15.046 1.00 0.00 LA6 ATOM 1196 C2 POPE 1 1.653 -11.839 14.913 1.00 0.00 LA6 ATOM 1197 HS POPE 1 2.577 -12.466 14.859 1.00 0.00 LA6 ATOM 1198 O21 POPE 1 1.201 -11.440 13.603 1.00 0.00 LA6 ATOM 1199 C21 POPE 1 1.615 -12.159 12.570 1.00 0.00 LA6 ATOM 1200 O22 POPE 1 2.337 -13.135 12.617 1.00 0.00 LA6 ATOM 1201 C22 POPE 1 1.030 -11.556 11.286 1.00 0.00 LA6 ATOM 1202 H2R POPE 1 -0.065 -11.735 11.289 1.00 0.00 LA6 ATOM 1203 H2S POPE 1 1.212 -10.460 11.288 1.00 0.00 LA6 ATOM 1204 C3 POPE 1 0.560 -12.696 15.629 1.00 0.00 LA6 ATOM 1205 HX POPE 1 0.485 -13.669 15.093 1.00 0.00 LA6 ATOM 1206 HY POPE 1 0.910 -12.909 16.662 1.00 0.00 LA6 ATOM 1207 O31 POPE 1 -0.733 -12.053 15.639 1.00 0.00 LA6 ATOM 1208 C31 POPE 1 -1.666 -12.623 16.405 1.00 0.00 LA6 ATOM 1209 O32 POPE 1 -1.474 -13.502 17.229 1.00 0.00 LA6 ATOM 1210 C32 POPE 1 -3.039 -12.024 16.094 1.00 0.00 LA6 ATOM 1211 H2X POPE 1 -3.568 -11.855 17.056 1.00 0.00 LA6 ATOM 1212 H2Y POPE 1 -2.927 -11.044 15.585 1.00 0.00 LA6 ATOM 1213 C23 POPE 1 1.655 -12.170 10.013 1.00 0.00 LA6 ATOM 1214 H3R POPE 1 2.754 -11.992 10.021 1.00 0.00 LA6 ATOM 1215 H3S POPE 1 1.490 -13.271 10.010 1.00 0.00 LA6 ATOM 1216 C24 POPE 1 1.065 -11.566 8.732 1.00 0.00 LA6 ATOM 1217 H4R POPE 1 -0.036 -11.728 8.734 1.00 0.00 LA6 ATOM 1218 H4S POPE 1 1.243 -10.465 8.733 1.00 0.00 LA6 ATOM 1219 C25 POPE 1 1.643 -12.159 7.438 1.00 0.00 LA6 ATOM 1220 H5R POPE 1 2.748 -12.030 7.436 1.00 0.00 LA6 ATOM 1221 H5S POPE 1 1.420 -13.249 7.399 1.00 0.00 LA6 ATOM 1222 C26 POPE 1 1.052 -11.467 6.201 1.00 0.00 LA6 ATOM 1223 H6R POPE 1 -0.058 -11.500 6.279 1.00 0.00 LA6 ATOM 1224 H6S POPE 1 1.356 -10.396 6.209 1.00 0.00 LA6 ATOM 1225 C27 POPE 1 1.453 -12.098 4.858 1.00 0.00 LA6 ATOM 1226 H7R POPE 1 2.561 -12.156 4.784 1.00 0.00 LA6 ATOM 1227 H7S POPE 1 1.051 -13.136 4.831 1.00 0.00 LA6 ATOM 1228 C28 POPE 1 0.905 -11.278 3.670 1.00 0.00 LA6 ATOM 1229 H8R POPE 1 -0.152 -11.039 3.917 1.00 0.00 LA6 ATOM 1230 H8S POPE 1 1.453 -10.311 3.625 1.00 0.00 LA6 ATOM 1231 C29 POPE 1 0.931 -12.005 2.351 1.00 0.00 LA6 ATOM 1232 H91 POPE 1 0.444 -12.992 2.374 1.00 0.00 LA6 ATOM 1233 C210 POPE 1 1.416 -11.568 1.171 1.00 0.00 LA6 ATOM 1234 H101 POPE 1 1.380 -12.258 0.317 1.00 0.00 LA6 ATOM 1235 C211 POPE 1 2.108 -10.259 0.887 1.00 0.00 LA6 ATOM 1236 H11R POPE 1 1.801 -9.467 1.604 1.00 0.00 LA6 ATOM 1237 H11S POPE 1 3.207 -10.401 1.007 1.00 0.00 LA6 ATOM 1238 C212 POPE 1 1.890 -9.752 -0.558 1.00 0.00 LA6 ATOM 1239 H12R POPE 1 0.808 -9.606 -0.764 1.00 0.00 LA6 ATOM 1240 H12S POPE 1 2.368 -8.753 -0.648 1.00 0.00 LA6 ATOM 1241 C213 POPE 1 2.484 -10.689 -1.624 1.00 0.00 LA6 ATOM 1242 H13R POPE 1 3.491 -11.020 -1.293 1.00 0.00 LA6 ATOM 1243 H13S POPE 1 1.841 -11.593 -1.704 1.00 0.00 LA6 ATOM 1244 C214 POPE 1 2.623 -10.062 -3.019 1.00 0.00 LA6 ATOM 1245 H14R POPE 1 1.662 -9.580 -3.297 1.00 0.00 LA6 ATOM 1246 H14S POPE 1 3.398 -9.266 -2.998 1.00 0.00 LA6 ATOM 1247 C215 POPE 1 2.998 -11.126 -4.060 1.00 0.00 LA6 ATOM 1248 H15R POPE 1 4.021 -11.501 -3.837 1.00 0.00 LA6 ATOM 1249 H15S POPE 1 2.298 -11.988 -3.960 1.00 0.00 LA6 ATOM 1250 C216 POPE 1 2.949 -10.636 -5.514 1.00 0.00 LA6 ATOM 1251 H16R POPE 1 1.918 -10.303 -5.755 1.00 0.00 LA6 ATOM 1252 H16S POPE 1 3.623 -9.760 -5.630 1.00 0.00 LA6 ATOM 1253 C217 POPE 1 3.374 -11.742 -6.489 1.00 0.00 LA6 ATOM 1254 H17R POPE 1 4.434 -11.995 -6.264 1.00 0.00 LA6 ATOM 1255 H17S POPE 1 2.762 -12.651 -6.289 1.00 0.00 LA6 ATOM 1256 C218 POPE 1 3.256 -11.386 -7.973 1.00 0.00 LA6 ATOM 1257 H18R POPE 1 3.861 -10.484 -8.199 1.00 0.00 LA6 ATOM 1258 H18S POPE 1 3.631 -12.212 -8.610 1.00 0.00 LA6 ATOM 1259 H18T POPE 1 2.196 -11.198 -8.245 1.00 0.00 LA6 ATOM 1260 C33 POPE 1 -3.872 -12.980 15.212 1.00 0.00 LA6 ATOM 1261 H3X POPE 1 -4.044 -13.948 15.734 1.00 0.00 LA6 ATOM 1262 H3Y POPE 1 -4.869 -12.519 15.040 1.00 0.00 LA6 ATOM 1263 C34 POPE 1 -3.238 -13.257 13.841 1.00 0.00 LA6 ATOM 1264 H4X POPE 1 -2.822 -12.312 13.423 1.00 0.00 LA6 ATOM 1265 H4Y POPE 1 -2.396 -13.975 13.957 1.00 0.00 LA6 ATOM 1266 C35 POPE 1 -4.253 -13.818 12.837 1.00 0.00 LA6 ATOM 1267 H5X POPE 1 -4.788 -14.687 13.282 1.00 0.00 LA6 ATOM 1268 H5Y POPE 1 -5.018 -13.036 12.625 1.00 0.00 LA6 ATOM 1269 C36 POPE 1 -3.585 -14.252 11.527 1.00 0.00 LA6 ATOM 1270 H6X POPE 1 -2.860 -13.466 11.216 1.00 0.00 LA6 ATOM 1271 H6Y POPE 1 -3.010 -15.188 11.707 1.00 0.00 LA6 ATOM 1272 C37 POPE 1 -4.583 -14.467 10.380 1.00 0.00 LA6 ATOM 1273 H7X POPE 1 -5.384 -15.170 10.701 1.00 0.00 LA6 ATOM 1274 H7Y POPE 1 -5.064 -13.489 10.152 1.00 0.00 LA6 ATOM 1275 C38 POPE 1 -3.897 -15.006 9.117 1.00 0.00 LA6 ATOM 1276 H8X POPE 1 -2.892 -14.532 9.034 1.00 0.00 LA6 ATOM 1277 H8Y POPE 1 -3.735 -16.101 9.224 1.00 0.00 LA6 ATOM 1278 C39 POPE 1 -4.669 -14.718 7.817 1.00 0.00 LA6 ATOM 1279 H9X POPE 1 -5.668 -15.196 7.859 1.00 0.00 LA6 ATOM 1280 H9Y POPE 1 -4.827 -13.620 7.737 1.00 0.00 LA6 ATOM 1281 C310 POPE 1 -3.888 -15.211 6.589 1.00 0.00 LA6 ATOM 1282 H10X POPE 1 -2.879 -14.740 6.627 1.00 0.00 LA6 ATOM 1283 H10Y POPE 1 -3.737 -16.307 6.669 1.00 0.00 LA6 ATOM 1284 C311 POPE 1 -4.508 -14.906 5.214 1.00 0.00 LA6 ATOM 1285 H11X POPE 1 -5.438 -15.498 5.078 1.00 0.00 LA6 ATOM 1286 H11Y POPE 1 -4.779 -13.833 5.149 1.00 0.00 LA6 ATOM 1287 C312 POPE 1 -3.496 -15.242 4.105 1.00 0.00 LA6 ATOM 1288 H12X POPE 1 -2.501 -14.840 4.405 1.00 0.00 LA6 ATOM 1289 H12Y POPE 1 -3.411 -16.345 4.032 1.00 0.00 LA6 ATOM 1290 C313 POPE 1 -3.811 -14.683 2.715 1.00 0.00 LA6 ATOM 1291 H13X POPE 1 -4.779 -15.096 2.356 1.00 0.00 LA6 ATOM 1292 H13Y POPE 1 -3.903 -13.578 2.792 1.00 0.00 LA6 ATOM 1293 C314 POPE 1 -2.705 -15.038 1.704 1.00 0.00 LA6 ATOM 1294 H14X POPE 1 -1.713 -14.754 2.121 1.00 0.00 LA6 ATOM 1295 H14Y POPE 1 -2.718 -16.134 1.556 1.00 0.00 LA6 ATOM 1296 C315 POPE 1 -2.887 -14.395 0.327 1.00 0.00 LA6 ATOM 1297 H15X POPE 1 -3.926 -14.608 -0.018 1.00 0.00 LA6 ATOM 1298 H15Y POPE 1 -2.779 -13.295 0.442 1.00 0.00 LA6 ATOM 1299 C316 POPE 1 -1.915 -14.881 -0.748 1.00 0.00 LA6 ATOM 1300 H16X POPE 1 -2.121 -15.943 -0.984 1.00 0.00 LA6 ATOM 1301 H16Y POPE 1 -0.859 -14.785 -0.419 1.00 0.00 LA6 ATOM 1302 H16Z POPE 1 -2.054 -14.296 -1.684 1.00 0.00 LA6 ATOM 1303 N POPE 1 6.796 -7.734 20.807 1.00 0.00 LA7 ATOM 1304 HN1 POPE 1 6.245 -7.198 21.522 1.00 0.00 LA7 ATOM 1305 HN2 POPE 1 7.319 -8.492 21.312 1.00 0.00 LA7 ATOM 1306 HN3 POPE 1 7.509 -7.109 20.347 1.00 0.00 LA7 ATOM 1307 C12 POPE 1 5.894 -8.248 19.715 1.00 0.00 LA7 ATOM 1308 H12A POPE 1 4.896 -7.779 19.851 1.00 0.00 LA7 ATOM 1309 H12B POPE 1 5.790 -9.344 19.860 1.00 0.00 LA7 ATOM 1310 C11 POPE 1 6.463 -7.937 18.300 1.00 0.00 LA7 ATOM 1311 H11A POPE 1 7.387 -8.538 18.135 1.00 0.00 LA7 ATOM 1312 H11B POPE 1 5.729 -8.340 17.564 1.00 0.00 LA7 ATOM 1313 P POPE 1 8.067 -5.828 18.262 1.00 0.00 LA7 ATOM 1314 O13 POPE 1 7.919 -4.354 18.274 1.00 0.00 LA7 ATOM 1315 O14 POPE 1 8.656 -6.431 19.476 1.00 0.00 LA7 ATOM 1316 O11 POPE 1 8.995 -6.258 17.070 1.00 0.00 LA7 ATOM 1317 O12 POPE 1 6.659 -6.529 18.044 1.00 0.00 LA7 ATOM 1318 C1 POPE 1 8.604 -6.161 15.705 1.00 0.00 LA7 ATOM 1319 HA POPE 1 7.528 -6.417 15.559 1.00 0.00 LA7 ATOM 1320 HB POPE 1 8.774 -5.117 15.356 1.00 0.00 LA7 ATOM 1321 C2 POPE 1 9.459 -7.114 14.816 1.00 0.00 LA7 ATOM 1322 HS POPE 1 10.525 -6.822 14.984 1.00 0.00 LA7 ATOM 1323 O21 POPE 1 9.081 -6.913 13.436 1.00 0.00 LA7 ATOM 1324 C21 POPE 1 10.042 -7.071 12.523 1.00 0.00 LA7 ATOM 1325 O22 POPE 1 11.207 -7.319 12.757 1.00 0.00 LA7 ATOM 1326 C22 POPE 1 9.442 -6.891 11.117 1.00 0.00 LA7 ATOM 1327 H2R POPE 1 8.663 -7.672 10.981 1.00 0.00 LA7 ATOM 1328 H2S POPE 1 8.954 -5.896 11.070 1.00 0.00 LA7 ATOM 1329 C3 POPE 1 9.338 -8.618 15.221 1.00 0.00 LA7 ATOM 1330 HX POPE 1 9.976 -9.223 14.537 1.00 0.00 LA7 ATOM 1331 HY POPE 1 9.754 -8.709 16.252 1.00 0.00 LA7 ATOM 1332 O31 POPE 1 7.975 -9.091 15.179 1.00 0.00 LA7 ATOM 1333 C31 POPE 1 7.755 -10.255 15.801 1.00 0.00 LA7 ATOM 1334 O32 POPE 1 8.604 -10.918 16.375 1.00 0.00 LA7 ATOM 1335 C32 POPE 1 6.269 -10.631 15.731 1.00 0.00 LA7 ATOM 1336 H2X POPE 1 5.999 -11.094 16.704 1.00 0.00 LA7 ATOM 1337 H2Y POPE 1 5.650 -9.717 15.608 1.00 0.00 LA7 ATOM 1338 C23 POPE 1 10.467 -7.011 9.955 1.00 0.00 LA7 ATOM 1339 H3R POPE 1 11.228 -6.202 10.031 1.00 0.00 LA7 ATOM 1340 H3S POPE 1 11.001 -7.985 10.025 1.00 0.00 LA7 ATOM 1341 C24 POPE 1 9.760 -6.930 8.590 1.00 0.00 LA7 ATOM 1342 H4R POPE 1 8.964 -7.711 8.573 1.00 0.00 LA7 ATOM 1343 H4S POPE 1 9.258 -5.939 8.495 1.00 0.00 LA7 ATOM 1344 C25 POPE 1 10.637 -7.152 7.342 1.00 0.00 LA7 ATOM 1345 H5R POPE 1 11.440 -6.384 7.291 1.00 0.00 LA7 ATOM 1346 H5S POPE 1 11.116 -8.154 7.404 1.00 0.00 LA7 ATOM 1347 C26 POPE 1 9.760 -7.074 6.079 1.00 0.00 LA7 ATOM 1348 H6R POPE 1 8.888 -7.752 6.234 1.00 0.00 LA7 ATOM 1349 H6S POPE 1 9.365 -6.037 5.979 1.00 0.00 LA7 ATOM 1350 C27 POPE 1 10.417 -7.489 4.750 1.00 0.00 LA7 ATOM 1351 H7R POPE 1 11.317 -6.864 4.561 1.00 0.00 LA7 ATOM 1352 H7S POPE 1 10.742 -8.551 4.831 1.00 0.00 LA7 ATOM 1353 C28 POPE 1 9.407 -7.338 3.585 1.00 0.00 LA7 ATOM 1354 H8R POPE 1 8.466 -7.820 3.928 1.00 0.00 LA7 ATOM 1355 H8S POPE 1 9.182 -6.254 3.477 1.00 0.00 LA7 ATOM 1356 C29 POPE 1 9.779 -7.986 2.270 1.00 0.00 LA7 ATOM 1357 H91 POPE 1 10.050 -9.051 2.356 1.00 0.00 LA7 ATOM 1358 C210 POPE 1 9.751 -7.430 1.040 1.00 0.00 LA7 ATOM 1359 H101 POPE 1 10.084 -8.031 0.181 1.00 0.00 LA7 ATOM 1360 C211 POPE 1 9.410 -6.003 0.696 1.00 0.00 LA7 ATOM 1361 H11R POPE 1 8.840 -5.513 1.516 1.00 0.00 LA7 ATOM 1362 H11S POPE 1 10.357 -5.437 0.583 1.00 0.00 LA7 ATOM 1363 C212 POPE 1 8.618 -5.802 -0.613 1.00 0.00 LA7 ATOM 1364 H12R POPE 1 7.744 -6.474 -0.617 1.00 0.00 LA7 ATOM 1365 H12S POPE 1 8.199 -4.774 -0.610 1.00 0.00 LA7 ATOM 1366 C213 POPE 1 9.417 -5.984 -1.916 1.00 0.00 LA7 ATOM 1367 H13R POPE 1 10.368 -5.411 -1.856 1.00 0.00 LA7 ATOM 1368 H13S POPE 1 9.667 -7.058 -2.046 1.00 0.00 LA7 ATOM 1369 C214 POPE 1 8.641 -5.471 -3.142 1.00 0.00 LA7 ATOM 1370 H14R POPE 1 7.614 -5.888 -3.112 1.00 0.00 LA7 ATOM 1371 H14S POPE 1 8.531 -4.370 -3.070 1.00 0.00 LA7 ATOM 1372 C215 POPE 1 9.312 -5.819 -4.479 1.00 0.00 LA7 ATOM 1373 H15R POPE 1 10.347 -5.408 -4.485 1.00 0.00 LA7 ATOM 1374 H15S POPE 1 9.389 -6.925 -4.572 1.00 0.00 LA7 ATOM 1375 C216 POPE 1 8.557 -5.262 -5.697 1.00 0.00 LA7 ATOM 1376 H16R POPE 1 7.507 -5.626 -5.681 1.00 0.00 LA7 ATOM 1377 H16S POPE 1 8.521 -4.153 -5.618 1.00 0.00 LA7 ATOM 1378 C217 POPE 1 9.222 -5.665 -7.022 1.00 0.00 LA7 ATOM 1379 H17R POPE 1 10.294 -5.368 -6.978 1.00 0.00 LA7 ATOM 1380 H17S POPE 1 9.187 -6.774 -7.112 1.00 0.00 LA7 ATOM 1381 C218 POPE 1 8.598 -5.037 -8.272 1.00 0.00 LA7 ATOM 1382 H18R POPE 1 9.116 -5.393 -9.187 1.00 0.00 LA7 ATOM 1383 H18S POPE 1 7.528 -5.308 -8.353 1.00 0.00 LA7 ATOM 1384 H18T POPE 1 8.682 -3.930 -8.234 1.00 0.00 LA7 ATOM 1385 C33 POPE 1 5.969 -11.631 14.588 1.00 0.00 LA7 ATOM 1386 H3X POPE 1 6.552 -12.566 14.736 1.00 0.00 LA7 ATOM 1387 H3Y POPE 1 4.889 -11.902 14.644 1.00 0.00 LA7 ATOM 1388 C34 POPE 1 6.258 -11.062 13.190 1.00 0.00 LA7 ATOM 1389 H4X POPE 1 5.694 -10.110 13.071 1.00 0.00 LA7 ATOM 1390 H4Y POPE 1 7.341 -10.823 13.098 1.00 0.00 LA7 ATOM 1391 C35 POPE 1 5.868 -12.015 12.051 1.00 0.00 LA7 ATOM 1392 H5X POPE 1 6.447 -12.959 12.149 1.00 0.00 LA7 ATOM 1393 H5Y POPE 1 4.788 -12.273 12.139 1.00 0.00 LA7 ATOM 1394 C36 POPE 1 6.129 -11.389 10.673 1.00 0.00 LA7 ATOM 1395 H6X POPE 1 5.507 -10.470 10.577 1.00 0.00 LA7 ATOM 1396 H6Y POPE 1 7.196 -11.079 10.617 1.00 0.00 LA7 ATOM 1397 C37 POPE 1 5.822 -12.326 9.495 1.00 0.00 LA7 ATOM 1398 H7X POPE 1 6.499 -13.206 9.535 1.00 0.00 LA7 ATOM 1399 H7Y POPE 1 4.783 -12.706 9.581 1.00 0.00 LA7 ATOM 1400 C38 POPE 1 5.994 -11.598 8.154 1.00 0.00 LA7 ATOM 1401 H8X POPE 1 5.300 -10.728 8.132 1.00 0.00 LA7 ATOM 1402 H8Y POPE 1 7.031 -11.197 8.098 1.00 0.00 LA7 ATOM 1403 C39 POPE 1 5.738 -12.469 6.912 1.00 0.00 LA7 ATOM 1404 H9X POPE 1 6.443 -13.329 6.916 1.00 0.00 LA7 ATOM 1405 H9Y POPE 1 4.708 -12.883 6.948 1.00 0.00 LA7 ATOM 1406 C310 POPE 1 5.920 -11.656 5.618 1.00 0.00 LA7 ATOM 1407 H10X POPE 1 5.199 -10.808 5.624 1.00 0.00 LA7 ATOM 1408 H10Y POPE 1 6.946 -11.224 5.612 1.00 0.00 LA7 ATOM 1409 C311 POPE 1 5.721 -12.463 4.327 1.00 0.00 LA7 ATOM 1410 H11X POPE 1 6.417 -13.331 4.328 1.00 0.00 LA7 ATOM 1411 H11Y POPE 1 4.683 -12.859 4.302 1.00 0.00 LA7 ATOM 1412 C312 POPE 1 5.974 -11.614 3.069 1.00 0.00 LA7 ATOM 1413 H12X POPE 1 5.292 -10.735 3.082 1.00 0.00 LA7 ATOM 1414 H12Y POPE 1 7.023 -11.242 3.094 1.00 0.00 LA7 ATOM 1415 C313 POPE 1 5.745 -12.392 1.768 1.00 0.00 LA7 ATOM 1416 H13X POPE 1 6.281 -13.364 1.831 1.00 0.00 LA7 ATOM 1417 H13Y POPE 1 4.658 -12.613 1.670 1.00 0.00 LA7 ATOM 1418 C314 POPE 1 6.219 -11.645 0.509 1.00 0.00 LA7 ATOM 1419 H14X POPE 1 5.674 -10.680 0.432 1.00 0.00 LA7 ATOM 1420 H14Y POPE 1 7.305 -11.424 0.599 1.00 0.00 LA7 ATOM 1421 C315 POPE 1 5.962 -12.473 -0.757 1.00 0.00 LA7 ATOM 1422 H15X POPE 1 6.399 -13.483 -0.601 1.00 0.00 LA7 ATOM 1423 H15Y POPE 1 4.867 -12.586 -0.850 1.00 0.00 LA7 ATOM 1424 C316 POPE 1 6.455 -11.903 -2.086 1.00 0.00 LA7 ATOM 1425 H16X POPE 1 7.508 -11.562 -2.015 1.00 0.00 LA7 ATOM 1426 H16Y POPE 1 5.813 -11.052 -2.394 1.00 0.00 LA7 ATOM 1427 H16Z POPE 1 6.394 -12.677 -2.883 1.00 0.00 LA7 ATOM 1428 N POPE 1 8.822 -1.865 18.643 1.00 0.00 LA8 ATOM 1429 HN1 POPE 1 8.514 -2.842 18.366 1.00 0.00 LA8 ATOM 1430 HN2 POPE 1 8.687 -1.782 19.665 1.00 0.00 LA8 ATOM 1431 HN3 POPE 1 8.158 -1.177 18.204 1.00 0.00 LA8 ATOM 1432 C12 POPE 1 10.252 -1.536 18.278 1.00 0.00 LA8 ATOM 1433 H12A POPE 1 10.360 -1.659 17.182 1.00 0.00 LA8 ATOM 1434 H12B POPE 1 10.906 -2.266 18.796 1.00 0.00 LA8 ATOM 1435 C11 POPE 1 10.645 -0.097 18.675 1.00 0.00 LA8 ATOM 1436 H11A POPE 1 10.610 -0.003 19.787 1.00 0.00 LA8 ATOM 1437 H11B POPE 1 11.702 0.074 18.352 1.00 0.00 LA8 ATOM 1438 P POPE 1 10.089 2.399 18.175 1.00 0.00 LA8 ATOM 1439 O13 POPE 1 8.857 3.155 17.867 1.00 0.00 LA8 ATOM 1440 O14 POPE 1 10.704 2.649 19.500 1.00 0.00 LA8 ATOM 1441 O11 POPE 1 11.168 2.641 17.042 1.00 0.00 LA8 ATOM 1442 O12 POPE 1 9.762 0.849 18.068 1.00 0.00 LA8 ATOM 1443 C1 POPE 1 10.872 2.244 15.695 1.00 0.00 LA8 ATOM 1444 HA POPE 1 10.420 1.226 15.642 1.00 0.00 LA8 ATOM 1445 HB POPE 1 10.155 2.965 15.236 1.00 0.00 LA8 ATOM 1446 C2 POPE 1 12.160 2.228 14.827 1.00 0.00 LA8 ATOM 1447 HS POPE 1 12.555 3.273 14.840 1.00 0.00 LA8 ATOM 1448 O21 POPE 1 11.819 1.809 13.490 1.00 0.00 LA8 ATOM 1449 C21 POPE 1 12.497 2.384 12.494 1.00 0.00 LA8 ATOM 1450 O22 POPE 1 13.179 3.386 12.591 1.00 0.00 LA8 ATOM 1451 C22 POPE 1 12.340 1.559 11.208 1.00 0.00 LA8 ATOM 1452 H2R POPE 1 13.191 0.845 11.167 1.00 0.00 LA8 ATOM 1453 H2S POPE 1 11.404 0.970 11.261 1.00 0.00 LA8 ATOM 1454 C3 POPE 1 13.281 1.302 15.395 1.00 0.00 LA8 ATOM 1455 HX POPE 1 14.173 1.347 14.729 1.00 0.00 LA8 ATOM 1456 HY POPE 1 13.596 1.731 16.372 1.00 0.00 LA8 ATOM 1457 O31 POPE 1 12.828 -0.054 15.617 1.00 0.00 LA8 ATOM 1458 C31 POPE 1 12.964 -0.901 14.592 1.00 0.00 LA8 ATOM 1459 O32 POPE 1 13.530 -0.667 13.542 1.00 0.00 LA8 ATOM 1460 C32 POPE 1 12.223 -2.205 14.931 1.00 0.00 LA8 ATOM 1461 H2X POPE 1 12.641 -2.628 15.866 1.00 0.00 LA8 ATOM 1462 H2Y POPE 1 11.158 -1.937 15.096 1.00 0.00 LA8 ATOM 1463 C23 POPE 1 12.328 2.419 9.919 1.00 0.00 LA8 ATOM 1464 H3R POPE 1 11.577 3.235 10.023 1.00 0.00 LA8 ATOM 1465 H3S POPE 1 13.324 2.893 9.776 1.00 0.00 LA8 ATOM 1466 C24 POPE 1 11.975 1.573 8.685 1.00 0.00 LA8 ATOM 1467 H4R POPE 1 12.729 0.764 8.554 1.00 0.00 LA8 ATOM 1468 H4S POPE 1 10.998 1.078 8.875 1.00 0.00 LA8 ATOM 1469 C25 POPE 1 11.850 2.361 7.371 1.00 0.00 LA8 ATOM 1470 H5R POPE 1 11.527 3.406 7.579 1.00 0.00 LA8 ATOM 1471 H5S POPE 1 12.855 2.409 6.895 1.00 0.00 LA8 ATOM 1472 C26 POPE 1 10.835 1.716 6.408 1.00 0.00 LA8 ATOM 1473 H6R POPE 1 10.802 0.621 6.608 1.00 0.00 LA8 ATOM 1474 H6S POPE 1 9.821 2.122 6.619 1.00 0.00 LA8 ATOM 1475 C27 POPE 1 11.175 1.893 4.918 1.00 0.00 LA8 ATOM 1476 H7R POPE 1 11.320 2.971 4.686 1.00 0.00 LA8 ATOM 1477 H7S POPE 1 12.151 1.381 4.751 1.00 0.00 LA8 ATOM 1478 C28 POPE 1 10.086 1.308 3.986 1.00 0.00 LA8 ATOM 1479 H8R POPE 1 9.591 0.480 4.541 1.00 0.00 LA8 ATOM 1480 H8S POPE 1 9.309 2.083 3.808 1.00 0.00 LA8 ATOM 1481 C29 POPE 1 10.645 0.743 2.702 1.00 0.00 LA8 ATOM 1482 H91 POPE 1 11.449 0.010 2.867 1.00 0.00 LA8 ATOM 1483 C210 POPE 1 10.253 0.965 1.429 1.00 0.00 LA8 ATOM 1484 H101 POPE 1 10.833 0.486 0.630 1.00 0.00 LA8 ATOM 1485 C211 POPE 1 9.183 1.898 0.933 1.00 0.00 LA8 ATOM 1486 H11R POPE 1 8.290 1.864 1.596 1.00 0.00 LA8 ATOM 1487 H11S POPE 1 9.594 2.925 0.989 1.00 0.00 LA8 ATOM 1488 C212 POPE 1 8.732 1.714 -0.543 1.00 0.00 LA8 ATOM 1489 H12R POPE 1 8.297 0.707 -0.693 1.00 0.00 LA8 ATOM 1490 H12S POPE 1 7.911 2.436 -0.748 1.00 0.00 LA8 ATOM 1491 C213 POPE 1 9.826 1.945 -1.605 1.00 0.00 LA8 ATOM 1492 H13R POPE 1 10.215 2.981 -1.522 1.00 0.00 LA8 ATOM 1493 H13S POPE 1 10.667 1.254 -1.408 1.00 0.00 LA8 ATOM 1494 C214 POPE 1 9.328 1.699 -3.041 1.00 0.00 LA8 ATOM 1495 H14R POPE 1 8.964 0.648 -3.109 1.00 0.00 LA8 ATOM 1496 H14S POPE 1 8.464 2.365 -3.236 1.00 0.00 LA8 ATOM 1497 C215 POPE 1 10.390 1.923 -4.134 1.00 0.00 LA8 ATOM 1498 H15R POPE 1 10.639 3.006 -4.187 1.00 0.00 LA8 ATOM 1499 H15S POPE 1 11.318 1.374 -3.866 1.00 0.00 LA8 ATOM 1500 C216 POPE 1 9.923 1.452 -5.523 1.00 0.00 LA8 ATOM 1501 H16R POPE 1 9.546 0.413 -5.465 1.00 0.00 LA8 ATOM 1502 H16S POPE 1 9.068 2.068 -5.854 1.00 0.00 LA8 ATOM 1503 C217 POPE 1 11.001 1.522 -6.609 1.00 0.00 LA8 ATOM 1504 H17R POPE 1 11.432 2.547 -6.613 1.00 0.00 LA8 ATOM 1505 H17S POPE 1 11.813 0.802 -6.360 1.00 0.00 LA8 ATOM 1506 C218 POPE 1 10.455 1.220 -8.007 1.00 0.00 LA8 ATOM 1507 H18R POPE 1 11.279 1.131 -8.747 1.00 0.00 LA8 ATOM 1508 H18S POPE 1 9.873 0.272 -8.005 1.00 0.00 LA8 ATOM 1509 H18T POPE 1 9.775 2.034 -8.334 1.00 0.00 LA8 ATOM 1510 C33 POPE 1 12.284 -3.254 13.793 1.00 0.00 LA8 ATOM 1511 H3X POPE 1 11.568 -4.077 14.020 1.00 0.00 LA8 ATOM 1512 H3Y POPE 1 11.944 -2.773 12.850 1.00 0.00 LA8 ATOM 1513 C34 POPE 1 13.672 -3.887 13.586 1.00 0.00 LA8 ATOM 1514 H4X POPE 1 14.455 -3.095 13.601 1.00 0.00 LA8 ATOM 1515 H4Y POPE 1 13.886 -4.577 14.432 1.00 0.00 LA8 ATOM 1516 C35 POPE 1 13.825 -4.663 12.261 1.00 0.00 LA8 ATOM 1517 H5X POPE 1 14.802 -5.199 12.291 1.00 0.00 LA8 ATOM 1518 H5Y POPE 1 13.024 -5.430 12.177 1.00 0.00 LA8 ATOM 1519 C36 POPE 1 13.822 -3.753 11.020 1.00 0.00 LA8 ATOM 1520 H6X POPE 1 12.817 -3.294 10.902 1.00 0.00 LA8 ATOM 1521 H6Y POPE 1 14.552 -2.929 11.194 1.00 0.00 LA8 ATOM 1522 C37 POPE 1 14.189 -4.476 9.712 1.00 0.00 LA8 ATOM 1523 H7X POPE 1 15.212 -4.904 9.801 1.00 0.00 LA8 ATOM 1524 H7Y POPE 1 13.480 -5.319 9.555 1.00 0.00 LA8 ATOM 1525 C38 POPE 1 14.129 -3.530 8.503 1.00 0.00 LA8 ATOM 1526 H8X POPE 1 13.158 -2.986 8.539 1.00 0.00 LA8 ATOM 1527 H8Y POPE 1 14.934 -2.769 8.578 1.00 0.00 LA8 ATOM 1528 C39 POPE 1 14.226 -4.241 7.147 1.00 0.00 LA8 ATOM 1529 H9X POPE 1 15.229 -4.705 7.024 1.00 0.00 LA8 ATOM 1530 H9Y POPE 1 13.471 -5.058 7.124 1.00 0.00 LA8 ATOM 1531 C310 POPE 1 13.950 -3.272 5.988 1.00 0.00 LA8 ATOM 1532 H10X POPE 1 13.051 -2.661 6.231 1.00 0.00 LA8 ATOM 1533 H10Y POPE 1 14.812 -2.578 5.875 1.00 0.00 LA8 ATOM 1534 C311 POPE 1 13.687 -3.984 4.661 1.00 0.00 LA8 ATOM 1535 H11X POPE 1 14.541 -4.658 4.422 1.00 0.00 LA8 ATOM 1536 H11Y POPE 1 12.777 -4.618 4.765 1.00 0.00 LA8 ATOM 1537 C312 POPE 1 13.482 -3.014 3.489 1.00 0.00 LA8 ATOM 1538 H12X POPE 1 12.737 -2.235 3.754 1.00 0.00 LA8 ATOM 1539 H12Y POPE 1 14.448 -2.504 3.277 1.00 0.00 LA8 ATOM 1540 C313 POPE 1 13.017 -3.781 2.251 1.00 0.00 LA8 ATOM 1541 H13X POPE 1 13.649 -4.697 2.191 1.00 0.00 LA8 ATOM 1542 H13Y POPE 1 11.967 -4.122 2.386 1.00 0.00 LA8 ATOM 1543 C314 POPE 1 13.159 -3.037 0.918 1.00 0.00 LA8 ATOM 1544 H14X POPE 1 12.407 -2.229 0.831 1.00 0.00 LA8 ATOM 1545 H14Y POPE 1 14.165 -2.571 0.860 1.00 0.00 LA8 ATOM 1546 C315 POPE 1 13.013 -4.042 -0.228 1.00 0.00 LA8 ATOM 1547 H15X POPE 1 13.772 -4.832 -0.057 1.00 0.00 LA8 ATOM 1548 H15Y POPE 1 12.017 -4.524 -0.146 1.00 0.00 LA8 ATOM 1549 C316 POPE 1 13.198 -3.525 -1.650 1.00 0.00 LA8 ATOM 1550 H16X POPE 1 13.503 -2.458 -1.653 1.00 0.00 LA8 ATOM 1551 H16Y POPE 1 12.254 -3.638 -2.224 1.00 0.00 LA8 ATOM 1552 H16Z POPE 1 13.972 -4.115 -2.181 1.00 0.00 LA8 ATOM 1553 N POPE 1 6.298 7.587 -20.302 1.00 0.00 LB1 ATOM 1554 HN1 POPE 1 5.705 7.609 -21.171 1.00 0.00 LB1 ATOM 1555 HN2 POPE 1 6.955 8.410 -20.331 1.00 0.00 LB1 ATOM 1556 HN3 POPE 1 6.898 6.730 -20.271 1.00 0.00 LB1 ATOM 1557 C12 POPE 1 5.416 7.591 -19.083 1.00 0.00 LB1 ATOM 1558 H12A POPE 1 4.572 6.891 -19.260 1.00 0.00 LB1 ATOM 1559 H12B POPE 1 5.014 8.618 -18.984 1.00 0.00 LB1 ATOM 1560 C11 POPE 1 6.176 7.188 -17.801 1.00 0.00 LB1 ATOM 1561 H11A POPE 1 6.951 7.956 -17.572 1.00 0.00 LB1 ATOM 1562 H11B POPE 1 5.441 7.237 -16.962 1.00 0.00 LB1 ATOM 1563 P POPE 1 8.218 5.546 -18.195 1.00 0.00 LB1 ATOM 1564 O13 POPE 1 8.513 4.115 -17.988 1.00 0.00 LB1 ATOM 1565 O14 POPE 1 8.472 6.063 -19.565 1.00 0.00 LB1 ATOM 1566 O11 POPE 1 9.028 6.432 -17.170 1.00 0.00 LB1 ATOM 1567 O12 POPE 1 6.700 5.854 -17.870 1.00 0.00 LB1 ATOM 1568 C1 POPE 1 8.789 6.289 -15.765 1.00 0.00 LB1 ATOM 1569 HA POPE 1 7.711 6.441 -15.517 1.00 0.00 LB1 ATOM 1570 HB POPE 1 9.083 5.269 -15.420 1.00 0.00 LB1 ATOM 1571 C2 POPE 1 9.613 7.330 -14.955 1.00 0.00 LB1 ATOM 1572 HS POPE 1 10.686 7.117 -15.176 1.00 0.00 LB1 ATOM 1573 O21 POPE 1 9.343 7.131 -13.555 1.00 0.00 LB1 ATOM 1574 C21 POPE 1 10.261 7.560 -12.694 1.00 0.00 LB1 ATOM 1575 O22 POPE 1 11.317 8.102 -12.979 1.00 0.00 LB1 ATOM 1576 C22 POPE 1 9.778 7.227 -11.274 1.00 0.00 LB1 ATOM 1577 H2R POPE 1 8.818 7.763 -11.110 1.00 0.00 LB1 ATOM 1578 H2S POPE 1 9.580 6.134 -11.239 1.00 0.00 LB1 ATOM 1579 C3 POPE 1 9.329 8.802 -15.384 1.00 0.00 LB1 ATOM 1580 HX POPE 1 9.968 9.485 -14.781 1.00 0.00 LB1 ATOM 1581 HY POPE 1 9.642 8.893 -16.450 1.00 0.00 LB1 ATOM 1582 O31 POPE 1 7.937 9.157 -15.233 1.00 0.00 LB1 ATOM 1583 C31 POPE 1 7.619 10.349 -15.740 1.00 0.00 LB1 ATOM 1584 O32 POPE 1 8.405 11.117 -16.280 1.00 0.00 LB1 ATOM 1585 C32 POPE 1 6.113 10.603 -15.623 1.00 0.00 LB1 ATOM 1586 H2X POPE 1 5.782 11.020 -16.599 1.00 0.00 LB1 ATOM 1587 H2Y POPE 1 5.573 9.647 -15.460 1.00 0.00 LB1 ATOM 1588 C23 POPE 1 10.750 7.590 -10.118 1.00 0.00 LB1 ATOM 1589 H3R POPE 1 11.763 7.177 -10.318 1.00 0.00 LB1 ATOM 1590 H3S POPE 1 10.841 8.696 -10.050 1.00 0.00 LB1 ATOM 1591 C24 POPE 1 10.212 7.018 -8.791 1.00 0.00 LB1 ATOM 1592 H4R POPE 1 9.128 7.271 -8.744 1.00 0.00 LB1 ATOM 1593 H4S POPE 1 10.295 5.907 -8.821 1.00 0.00 LB1 ATOM 1594 C25 POPE 1 10.840 7.525 -7.478 1.00 0.00 LB1 ATOM 1595 H5R POPE 1 11.909 7.223 -7.421 1.00 0.00 LB1 ATOM 1596 H5S POPE 1 10.790 8.636 -7.454 1.00 0.00 LB1 ATOM 1597 C26 POPE 1 10.068 6.949 -6.270 1.00 0.00 LB1 ATOM 1598 H6R POPE 1 8.978 7.057 -6.477 1.00 0.00 LB1 ATOM 1599 H6S POPE 1 10.290 5.861 -6.188 1.00 0.00 LB1 ATOM 1600 C27 POPE 1 10.326 7.616 -4.906 1.00 0.00 LB1 ATOM 1601 H7R POPE 1 11.401 7.512 -4.643 1.00 0.00 LB1 ATOM 1602 H7S POPE 1 10.091 8.702 -4.990 1.00 0.00 LB1 ATOM 1603 C28 POPE 1 9.448 6.990 -3.794 1.00 0.00 LB1 ATOM 1604 H8R POPE 1 8.389 7.084 -4.127 1.00 0.00 LB1 ATOM 1605 H8S POPE 1 9.675 5.902 -3.734 1.00 0.00 LB1 ATOM 1606 C29 POPE 1 9.589 7.658 -2.446 1.00 0.00 LB1 ATOM 1607 H91 POPE 1 9.697 8.753 -2.484 1.00 0.00 LB1 ATOM 1608 C210 POPE 1 9.491 7.062 -1.239 1.00 0.00 LB1 ATOM 1609 H101 POPE 1 9.660 7.669 -0.337 1.00 0.00 LB1 ATOM 1610 C211 POPE 1 9.288 5.591 -0.972 1.00 0.00 LB1 ATOM 1611 H11R POPE 1 8.812 5.080 -1.839 1.00 0.00 LB1 ATOM 1612 H11S POPE 1 10.273 5.105 -0.808 1.00 0.00 LB1 ATOM 1613 C212 POPE 1 8.444 5.312 0.289 1.00 0.00 LB1 ATOM 1614 H12R POPE 1 7.524 5.922 0.279 1.00 0.00 LB1 ATOM 1615 H12S POPE 1 8.101 4.261 0.264 1.00 0.00 LB1 ATOM 1616 C213 POPE 1 9.203 5.542 1.605 1.00 0.00 LB1 ATOM 1617 H13R POPE 1 10.179 5.013 1.559 1.00 0.00 LB1 ATOM 1618 H13S POPE 1 9.403 6.628 1.724 1.00 0.00 LB1 ATOM 1619 C214 POPE 1 8.465 5.015 2.844 1.00 0.00 LB1 ATOM 1620 H14R POPE 1 7.422 5.394 2.840 1.00 0.00 LB1 ATOM 1621 H14S POPE 1 8.404 3.907 2.801 1.00 0.00 LB1 ATOM 1622 C215 POPE 1 9.178 5.430 4.137 1.00 0.00 LB1 ATOM 1623 H15R POPE 1 10.222 5.047 4.111 1.00 0.00 LB1 ATOM 1624 H15S POPE 1 9.226 6.542 4.183 1.00 0.00 LB1 ATOM 1625 C216 POPE 1 8.497 4.902 5.405 1.00 0.00 LB1 ATOM 1626 H16R POPE 1 7.423 5.193 5.399 1.00 0.00 LB1 ATOM 1627 H16S POPE 1 8.548 3.791 5.407 1.00 0.00 LB1 ATOM 1628 C217 POPE 1 9.156 5.446 6.676 1.00 0.00 LB1 ATOM 1629 H17R POPE 1 10.236 5.180 6.655 1.00 0.00 LB1 ATOM 1630 H17S POPE 1 9.088 6.557 6.665 1.00 0.00 LB1 ATOM 1631 C218 POPE 1 8.536 4.911 7.968 1.00 0.00 LB1 ATOM 1632 H18R POPE 1 9.009 5.385 8.855 1.00 0.00 LB1 ATOM 1633 H18S POPE 1 7.445 5.122 7.994 1.00 0.00 LB1 ATOM 1634 H18T POPE 1 8.689 3.813 8.036 1.00 0.00 LB1 ATOM 1635 C33 POPE 1 5.765 11.604 -14.496 1.00 0.00 LB1 ATOM 1636 H3X POPE 1 6.331 12.552 -14.635 1.00 0.00 LB1 ATOM 1637 H3Y POPE 1 4.683 11.856 -14.583 1.00 0.00 LB1 ATOM 1638 C34 POPE 1 6.023 11.048 -13.087 1.00 0.00 LB1 ATOM 1639 H4X POPE 1 5.469 10.090 -12.971 1.00 0.00 LB1 ATOM 1640 H4Y POPE 1 7.108 10.826 -12.967 1.00 0.00 LB1 ATOM 1641 C35 POPE 1 5.585 12.012 -11.973 1.00 0.00 LB1 ATOM 1642 H5X POPE 1 6.175 12.951 -12.060 1.00 0.00 LB1 ATOM 1643 H5Y POPE 1 4.512 12.276 -12.117 1.00 0.00 LB1 ATOM 1644 C36 POPE 1 5.769 11.413 -10.571 1.00 0.00 LB1 ATOM 1645 H6X POPE 1 5.115 10.516 -10.477 1.00 0.00 LB1 ATOM 1646 H6Y POPE 1 6.822 11.070 -10.462 1.00 0.00 LB1 ATOM 1647 C37 POPE 1 5.449 12.392 -9.426 1.00 0.00 LB1 ATOM 1648 H7X POPE 1 6.175 13.233 -9.454 1.00 0.00 LB1 ATOM 1649 H7Y POPE 1 4.434 12.818 -9.574 1.00 0.00 LB1 ATOM 1650 C38 POPE 1 5.525 11.692 -8.061 1.00 0.00 LB1 ATOM 1651 H8X POPE 1 4.741 10.902 -8.031 1.00 0.00 LB1 ATOM 1652 H8Y POPE 1 6.514 11.185 -7.988 1.00 0.00 LB1 ATOM 1653 C39 POPE 1 5.366 12.597 -6.823 1.00 0.00 LB1 ATOM 1654 H9X POPE 1 6.152 13.383 -6.842 1.00 0.00 LB1 ATOM 1655 H9Y POPE 1 4.378 13.106 -6.842 1.00 0.00 LB1 ATOM 1656 C310 POPE 1 5.503 11.769 -5.531 1.00 0.00 LB1 ATOM 1657 H10X POPE 1 4.695 11.004 -5.511 1.00 0.00 LB1 ATOM 1658 H10Y POPE 1 6.476 11.228 -5.566 1.00 0.00 LB1 ATOM 1659 C311 POPE 1 5.447 12.550 -4.211 1.00 0.00 LB1 ATOM 1660 H11X POPE 1 6.195 13.372 -4.231 1.00 0.00 LB1 ATOM 1661 H11Y POPE 1 4.440 13.006 -4.093 1.00 0.00 LB1 ATOM 1662 C312 POPE 1 5.737 11.627 -3.013 1.00 0.00 LB1 ATOM 1663 H12X POPE 1 5.005 10.790 -3.015 1.00 0.00 LB1 ATOM 1664 H12Y POPE 1 6.756 11.195 -3.128 1.00 0.00 LB1 ATOM 1665 C313 POPE 1 5.646 12.344 -1.663 1.00 0.00 LB1 ATOM 1666 H13X POPE 1 6.273 13.261 -1.699 1.00 0.00 LB1 ATOM 1667 H13Y POPE 1 4.592 12.661 -1.508 1.00 0.00 LB1 ATOM 1668 C314 POPE 1 6.087 11.482 -0.468 1.00 0.00 LB1 ATOM 1669 H14X POPE 1 5.508 10.535 -0.462 1.00 0.00 LB1 ATOM 1670 H14Y POPE 1 7.164 11.227 -0.580 1.00 0.00 LB1 ATOM 1671 C315 POPE 1 5.866 12.207 0.866 1.00 0.00 LB1 ATOM 1672 H15X POPE 1 6.300 13.226 0.787 1.00 0.00 LB1 ATOM 1673 H15Y POPE 1 4.777 12.321 1.011 1.00 0.00 LB1 ATOM 1674 C316 POPE 1 6.397 11.508 2.117 1.00 0.00 LB1 ATOM 1675 H16X POPE 1 7.446 11.176 1.974 1.00 0.00 LB1 ATOM 1676 H16Y POPE 1 5.769 10.624 2.355 1.00 0.00 LB1 ATOM 1677 H16Z POPE 1 6.360 12.192 2.992 1.00 0.00 LB1 ATOM 1678 N POPE 1 -1.741 8.159 -19.855 1.00 0.00 LB2 ATOM 1679 HN1 POPE 1 -2.683 7.999 -20.290 1.00 0.00 LB2 ATOM 1680 HN2 POPE 1 -1.010 7.945 -20.554 1.00 0.00 LB2 ATOM 1681 HN3 POPE 1 -1.647 7.448 -19.088 1.00 0.00 LB2 ATOM 1682 C12 POPE 1 -1.559 9.540 -19.281 1.00 0.00 LB2 ATOM 1683 H12A POPE 1 -2.042 9.552 -18.281 1.00 0.00 LB2 ATOM 1684 H12B POPE 1 -2.083 10.258 -19.945 1.00 0.00 LB2 ATOM 1685 C11 POPE 1 -0.067 9.905 -19.160 1.00 0.00 LB2 ATOM 1686 H11A POPE 1 0.366 9.983 -20.187 1.00 0.00 LB2 ATOM 1687 H11B POPE 1 -0.002 10.916 -18.685 1.00 0.00 LB2 ATOM 1688 P POPE 1 2.163 9.212 -18.037 1.00 0.00 LB2 ATOM 1689 O13 POPE 1 2.766 7.986 -17.470 1.00 0.00 LB2 ATOM 1690 O14 POPE 1 2.827 9.807 -19.215 1.00 0.00 LB2 ATOM 1691 O11 POPE 1 2.078 10.329 -16.932 1.00 0.00 LB2 ATOM 1692 O12 POPE 1 0.642 8.926 -18.391 1.00 0.00 LB2 ATOM 1693 C1 POPE 1 1.463 10.072 -15.670 1.00 0.00 LB2 ATOM 1694 HA POPE 1 0.469 9.577 -15.779 1.00 0.00 LB2 ATOM 1695 HB POPE 1 2.122 9.417 -15.054 1.00 0.00 LB2 ATOM 1696 C2 POPE 1 1.269 11.410 -14.913 1.00 0.00 LB2 ATOM 1697 HS POPE 1 2.285 11.876 -14.865 1.00 0.00 LB2 ATOM 1698 O21 POPE 1 0.767 11.131 -13.589 1.00 0.00 LB2 ATOM 1699 C21 POPE 1 1.189 11.957 -12.634 1.00 0.00 LB2 ATOM 1700 O22 POPE 1 1.941 12.904 -12.788 1.00 0.00 LB2 ATOM 1701 C22 POPE 1 0.595 11.526 -11.294 1.00 0.00 LB2 ATOM 1702 H2R POPE 1 -0.504 11.680 -11.333 1.00 0.00 LB2 ATOM 1703 H2S POPE 1 0.802 10.445 -11.143 1.00 0.00 LB2 ATOM 1704 C3 POPE 1 0.347 12.418 -15.663 1.00 0.00 LB2 ATOM 1705 HX POPE 1 0.290 13.349 -15.053 1.00 0.00 LB2 ATOM 1706 HY POPE 1 0.840 12.672 -16.629 1.00 0.00 LB2 ATOM 1707 O31 POPE 1 -0.978 11.891 -15.904 1.00 0.00 LB2 ATOM 1708 C31 POPE 1 -1.801 12.771 -16.494 1.00 0.00 LB2 ATOM 1709 O32 POPE 1 -1.466 13.856 -16.925 1.00 0.00 LB2 ATOM 1710 C32 POPE 1 -3.240 12.235 -16.505 1.00 0.00 LB2 ATOM 1711 H2X POPE 1 -3.672 12.437 -17.507 1.00 0.00 LB2 ATOM 1712 H2Y POPE 1 -3.245 11.137 -16.337 1.00 0.00 LB2 ATOM 1713 C23 POPE 1 1.188 12.323 -10.111 1.00 0.00 LB2 ATOM 1714 H3R POPE 1 2.285 12.135 -10.057 1.00 0.00 LB2 ATOM 1715 H3S POPE 1 1.036 13.415 -10.265 1.00 0.00 LB2 ATOM 1716 C24 POPE 1 0.538 11.906 -8.789 1.00 0.00 LB2 ATOM 1717 H4R POPE 1 -0.525 12.241 -8.777 1.00 0.00 LB2 ATOM 1718 H4S POPE 1 0.532 10.794 -8.740 1.00 0.00 LB2 ATOM 1719 C25 POPE 1 1.246 12.425 -7.530 1.00 0.00 LB2 ATOM 1720 H5R POPE 1 2.322 12.141 -7.566 1.00 0.00 LB2 ATOM 1721 H5S POPE 1 1.174 13.534 -7.482 1.00 0.00 LB2 ATOM 1722 C26 POPE 1 0.603 11.794 -6.289 1.00 0.00 LB2 ATOM 1723 H6R POPE 1 -0.472 12.078 -6.266 1.00 0.00 LB2 ATOM 1724 H6S POPE 1 0.648 10.686 -6.401 1.00 0.00 LB2 ATOM 1725 C27 POPE 1 1.225 12.164 -4.936 1.00 0.00 LB2 ATOM 1726 H7R POPE 1 2.333 12.075 -4.986 1.00 0.00 LB2 ATOM 1727 H7S POPE 1 0.973 13.224 -4.711 1.00 0.00 LB2 ATOM 1728 C28 POPE 1 0.689 11.214 -3.843 1.00 0.00 LB2 ATOM 1729 H8R POPE 1 -0.345 10.948 -4.141 1.00 0.00 LB2 ATOM 1730 H8S POPE 1 1.279 10.273 -3.888 1.00 0.00 LB2 ATOM 1731 C29 POPE 1 0.613 11.779 -2.452 1.00 0.00 LB2 ATOM 1732 H91 POPE 1 -0.013 12.679 -2.374 1.00 0.00 LB2 ATOM 1733 C210 POPE 1 1.171 11.291 -1.328 1.00 0.00 LB2 ATOM 1734 H101 POPE 1 1.035 11.861 -0.398 1.00 0.00 LB2 ATOM 1735 C211 POPE 1 2.067 10.088 -1.201 1.00 0.00 LB2 ATOM 1736 H11R POPE 1 1.888 9.360 -2.023 1.00 0.00 LB2 ATOM 1737 H11S POPE 1 3.125 10.423 -1.287 1.00 0.00 LB2 ATOM 1738 C212 POPE 1 1.951 9.347 0.150 1.00 0.00 LB2 ATOM 1739 H12R POPE 1 0.920 8.988 0.320 1.00 0.00 LB2 ATOM 1740 H12S POPE 1 2.581 8.436 0.087 1.00 0.00 LB2 ATOM 1741 C213 POPE 1 2.387 10.163 1.380 1.00 0.00 LB2 ATOM 1742 H13R POPE 1 3.428 10.520 1.236 1.00 0.00 LB2 ATOM 1743 H13S POPE 1 1.744 11.061 1.486 1.00 0.00 LB2 ATOM 1744 C214 POPE 1 2.298 9.349 2.681 1.00 0.00 LB2 ATOM 1745 H14R POPE 1 1.230 9.081 2.852 1.00 0.00 LB2 ATOM 1746 H14S POPE 1 2.870 8.402 2.574 1.00 0.00 LB2 ATOM 1747 C215 POPE 1 2.824 10.116 3.903 1.00 0.00 LB2 ATOM 1748 H15R POPE 1 3.927 10.234 3.821 1.00 0.00 LB2 ATOM 1749 H15S POPE 1 2.377 11.135 3.904 1.00 0.00 LB2 ATOM 1750 C216 POPE 1 2.474 9.437 5.236 1.00 0.00 LB2 ATOM 1751 H16R POPE 1 1.371 9.301 5.302 1.00 0.00 LB2 ATOM 1752 H16S POPE 1 2.934 8.426 5.278 1.00 0.00 LB2 ATOM 1753 C217 POPE 1 2.935 10.263 6.443 1.00 0.00 LB2 ATOM 1754 H17R POPE 1 4.039 10.380 6.394 1.00 0.00 LB2 ATOM 1755 H17S POPE 1 2.504 11.283 6.361 1.00 0.00 LB2 ATOM 1756 C218 POPE 1 2.531 9.666 7.793 1.00 0.00 LB2 ATOM 1757 H18R POPE 1 2.835 10.336 8.625 1.00 0.00 LB2 ATOM 1758 H18S POPE 1 1.429 9.526 7.843 1.00 0.00 LB2 ATOM 1759 H18T POPE 1 3.013 8.675 7.935 1.00 0.00 LB2 ATOM 1760 C33 POPE 1 -4.093 12.938 -15.421 1.00 0.00 LB2 ATOM 1761 H3X POPE 1 -4.278 13.996 -15.720 1.00 0.00 LB2 ATOM 1762 H3Y POPE 1 -5.080 12.430 -15.352 1.00 0.00 LB2 ATOM 1763 C34 POPE 1 -3.421 12.932 -14.037 1.00 0.00 LB2 ATOM 1764 H4X POPE 1 -3.061 11.905 -13.804 1.00 0.00 LB2 ATOM 1765 H4Y POPE 1 -2.532 13.603 -14.065 1.00 0.00 LB2 ATOM 1766 C35 POPE 1 -4.327 13.397 -12.889 1.00 0.00 LB2 ATOM 1767 H5X POPE 1 -4.849 14.339 -13.168 1.00 0.00 LB2 ATOM 1768 H5Y POPE 1 -5.106 12.624 -12.705 1.00 0.00 LB2 ATOM 1769 C36 POPE 1 -3.516 13.637 -11.607 1.00 0.00 LB2 ATOM 1770 H6X POPE 1 -2.782 12.809 -11.484 1.00 0.00 LB2 ATOM 1771 H6Y POPE 1 -2.937 14.581 -11.724 1.00 0.00 LB2 ATOM 1772 C37 POPE 1 -4.370 13.713 -10.335 1.00 0.00 LB2 ATOM 1773 H7X POPE 1 -5.190 14.450 -10.479 1.00 0.00 LB2 ATOM 1774 H7Y POPE 1 -4.834 12.717 -10.156 1.00 0.00 LB2 ATOM 1775 C38 POPE 1 -3.526 14.120 -9.119 1.00 0.00 LB2 ATOM 1776 H8X POPE 1 -2.584 13.527 -9.124 1.00 0.00 LB2 ATOM 1777 H8Y POPE 1 -3.245 15.192 -9.221 1.00 0.00 LB2 ATOM 1778 C39 POPE 1 -4.217 13.899 -7.765 1.00 0.00 LB2 ATOM 1779 H9X POPE 1 -5.200 14.419 -7.753 1.00 0.00 LB2 ATOM 1780 H9Y POPE 1 -4.404 12.809 -7.634 1.00 0.00 LB2 ATOM 1781 C310 POPE 1 -3.349 14.407 -6.603 1.00 0.00 LB2 ATOM 1782 H10X POPE 1 -2.332 13.966 -6.712 1.00 0.00 LB2 ATOM 1783 H10Y POPE 1 -3.243 15.512 -6.680 1.00 0.00 LB2 ATOM 1784 C311 POPE 1 -3.879 14.050 -5.207 1.00 0.00 LB2 ATOM 1785 H11X POPE 1 -4.854 14.558 -5.040 1.00 0.00 LB2 ATOM 1786 H11Y POPE 1 -4.054 12.954 -5.150 1.00 0.00 LB2 ATOM 1787 C312 POPE 1 -2.888 14.452 -4.102 1.00 0.00 LB2 ATOM 1788 H12X POPE 1 -1.901 13.979 -4.312 1.00 0.00 LB2 ATOM 1789 H12Y POPE 1 -2.750 15.554 -4.130 1.00 0.00 LB2 ATOM 1790 C313 POPE 1 -3.347 14.038 -2.699 1.00 0.00 LB2 ATOM 1791 H13X POPE 1 -4.372 14.433 -2.524 1.00 0.00 LB2 ATOM 1792 H13Y POPE 1 -3.398 12.929 -2.651 1.00 0.00 LB2 ATOM 1793 C314 POPE 1 -2.428 14.552 -1.579 1.00 0.00 LB2 ATOM 1794 H14X POPE 1 -1.381 14.230 -1.769 1.00 0.00 LB2 ATOM 1795 H14Y POPE 1 -2.449 15.659 -1.583 1.00 0.00 LB2 ATOM 1796 C315 POPE 1 -2.872 14.063 -0.196 1.00 0.00 LB2 ATOM 1797 H15X POPE 1 -3.948 14.318 -0.058 1.00 0.00 LB2 ATOM 1798 H15Y POPE 1 -2.790 12.954 -0.186 1.00 0.00 LB2 ATOM 1799 C316 POPE 1 -2.086 14.629 0.987 1.00 0.00 LB2 ATOM 1800 H16X POPE 1 -2.364 15.685 1.161 1.00 0.00 LB2 ATOM 1801 H16Y POPE 1 -0.990 14.570 0.813 1.00 0.00 LB2 ATOM 1802 H16Z POPE 1 -2.330 14.069 1.916 1.00 0.00 LB2 ATOM 1803 N POPE 1 -8.780 5.947 -19.620 1.00 0.00 LB3 ATOM 1804 HN1 POPE 1 -9.331 5.111 -19.301 1.00 0.00 LB3 ATOM 1805 HN2 POPE 1 -9.293 6.355 -20.437 1.00 0.00 LB3 ATOM 1806 HN3 POPE 1 -7.838 5.613 -19.913 1.00 0.00 LB3 ATOM 1807 C12 POPE 1 -8.659 6.964 -18.518 1.00 0.00 LB3 ATOM 1808 H12A POPE 1 -8.274 6.441 -17.616 1.00 0.00 LB3 ATOM 1809 H12B POPE 1 -9.677 7.351 -18.308 1.00 0.00 LB3 ATOM 1810 C11 POPE 1 -7.715 8.113 -18.916 1.00 0.00 LB3 ATOM 1811 H11A POPE 1 -8.029 8.546 -19.894 1.00 0.00 LB3 ATOM 1812 H11B POPE 1 -7.831 8.921 -18.156 1.00 0.00 LB3 ATOM 1813 P POPE 1 -5.104 8.344 -18.418 1.00 0.00 LB3 ATOM 1814 O13 POPE 1 -4.136 7.276 -18.067 1.00 0.00 LB3 ATOM 1815 O14 POPE 1 -4.620 9.373 -19.362 1.00 0.00 LB3 ATOM 1816 O11 POPE 1 -5.613 9.071 -17.111 1.00 0.00 LB3 ATOM 1817 O12 POPE 1 -6.378 7.633 -19.011 1.00 0.00 LB3 ATOM 1818 C1 POPE 1 -5.666 8.345 -15.879 1.00 0.00 LB3 ATOM 1819 HA POPE 1 -6.217 7.379 -15.987 1.00 0.00 LB3 ATOM 1820 HB POPE 1 -4.631 8.120 -15.525 1.00 0.00 LB3 ATOM 1821 C2 POPE 1 -6.377 9.189 -14.789 1.00 0.00 LB3 ATOM 1822 HS POPE 1 -5.870 10.184 -14.777 1.00 0.00 LB3 ATOM 1823 O21 POPE 1 -6.208 8.536 -13.515 1.00 0.00 LB3 ATOM 1824 C21 POPE 1 -6.388 9.303 -12.444 1.00 0.00 LB3 ATOM 1825 O22 POPE 1 -6.624 10.496 -12.450 1.00 0.00 LB3 ATOM 1826 C22 POPE 1 -6.249 8.437 -11.189 1.00 0.00 LB3 ATOM 1827 H2R POPE 1 -7.007 7.627 -11.240 1.00 0.00 LB3 ATOM 1828 H2S POPE 1 -5.237 7.981 -11.193 1.00 0.00 LB3 ATOM 1829 C3 POPE 1 -7.884 9.427 -15.111 1.00 0.00 LB3 ATOM 1830 HX POPE 1 -8.293 10.167 -14.385 1.00 0.00 LB3 ATOM 1831 HY POPE 1 -7.936 9.876 -16.128 1.00 0.00 LB3 ATOM 1832 O31 POPE 1 -8.644 8.201 -15.057 1.00 0.00 LB3 ATOM 1833 C31 POPE 1 -9.937 8.336 -15.365 1.00 0.00 LB3 ATOM 1834 O32 POPE 1 -10.448 9.368 -15.775 1.00 0.00 LB3 ATOM 1835 C32 POPE 1 -10.658 6.988 -15.209 1.00 0.00 LB3 ATOM 1836 H2X POPE 1 -11.135 6.756 -16.185 1.00 0.00 LB3 ATOM 1837 H2Y POPE 1 -9.926 6.181 -14.991 1.00 0.00 LB3 ATOM 1838 C23 POPE 1 -6.442 9.233 -9.878 1.00 0.00 LB3 ATOM 1839 H3R POPE 1 -5.692 10.055 -9.822 1.00 0.00 LB3 ATOM 1840 H3S POPE 1 -7.453 9.698 -9.864 1.00 0.00 LB3 ATOM 1841 C24 POPE 1 -6.283 8.323 -8.651 1.00 0.00 LB3 ATOM 1842 H4R POPE 1 -7.017 7.487 -8.723 1.00 0.00 LB3 ATOM 1843 H4S POPE 1 -5.263 7.876 -8.663 1.00 0.00 LB3 ATOM 1844 C25 POPE 1 -6.498 9.043 -7.312 1.00 0.00 LB3 ATOM 1845 H5R POPE 1 -5.875 9.964 -7.278 1.00 0.00 LB3 ATOM 1846 H5S POPE 1 -7.565 9.353 -7.239 1.00 0.00 LB3 ATOM 1847 C26 POPE 1 -6.145 8.148 -6.112 1.00 0.00 LB3 ATOM 1848 H6R POPE 1 -6.627 7.154 -6.259 1.00 0.00 LB3 ATOM 1849 H6S POPE 1 -5.045 7.985 -6.085 1.00 0.00 LB3 ATOM 1850 C27 POPE 1 -6.622 8.719 -4.768 1.00 0.00 LB3 ATOM 1851 H7R POPE 1 -6.150 9.712 -4.597 1.00 0.00 LB3 ATOM 1852 H7S POPE 1 -7.723 8.871 -4.844 1.00 0.00 LB3 ATOM 1853 C28 POPE 1 -6.311 7.783 -3.580 1.00 0.00 LB3 ATOM 1854 H8R POPE 1 -6.633 6.766 -3.889 1.00 0.00 LB3 ATOM 1855 H8S POPE 1 -5.211 7.737 -3.423 1.00 0.00 LB3 ATOM 1856 C29 POPE 1 -7.060 8.181 -2.330 1.00 0.00 LB3 ATOM 1857 H91 POPE 1 -8.109 8.467 -2.503 1.00 0.00 LB3 ATOM 1858 C210 POPE 1 -6.616 8.148 -1.055 1.00 0.00 LB3 ATOM 1859 H101 POPE 1 -7.285 8.514 -0.261 1.00 0.00 LB3 ATOM 1860 C211 POPE 1 -5.239 7.755 -0.589 1.00 0.00 LB3 ATOM 1861 H11R POPE 1 -4.718 7.128 -1.346 1.00 0.00 LB3 ATOM 1862 H11S POPE 1 -4.644 8.682 -0.464 1.00 0.00 LB3 ATOM 1863 C212 POPE 1 -5.192 7.025 0.774 1.00 0.00 LB3 ATOM 1864 H12R POPE 1 -5.936 6.203 0.797 1.00 0.00 LB3 ATOM 1865 H12S POPE 1 -4.186 6.560 0.890 1.00 0.00 LB3 ATOM 1866 C213 POPE 1 -5.433 7.946 1.976 1.00 0.00 LB3 ATOM 1867 H13R POPE 1 -4.650 8.735 1.987 1.00 0.00 LB3 ATOM 1868 H13S POPE 1 -6.420 8.447 1.865 1.00 0.00 LB3 ATOM 1869 C214 POPE 1 -5.414 7.224 3.332 1.00 0.00 LB3 ATOM 1870 H14R POPE 1 -6.206 6.442 3.345 1.00 0.00 LB3 ATOM 1871 H14S POPE 1 -4.432 6.722 3.491 1.00 0.00 LB3 ATOM 1872 C215 POPE 1 -5.666 8.222 4.468 1.00 0.00 LB3 ATOM 1873 H15R POPE 1 -4.807 8.927 4.518 1.00 0.00 LB3 ATOM 1874 H15S POPE 1 -6.574 8.819 4.223 1.00 0.00 LB3 ATOM 1875 C216 POPE 1 -5.865 7.577 5.844 1.00 0.00 LB3 ATOM 1876 H16R POPE 1 -6.736 6.886 5.810 1.00 0.00 LB3 ATOM 1877 H16S POPE 1 -4.962 6.986 6.120 1.00 0.00 LB3 ATOM 1878 C217 POPE 1 -6.113 8.643 6.914 1.00 0.00 LB3 ATOM 1879 H17R POPE 1 -5.206 9.282 6.968 1.00 0.00 LB3 ATOM 1880 H17S POPE 1 -6.959 9.290 6.588 1.00 0.00 LB3 ATOM 1881 C218 POPE 1 -6.409 8.094 8.306 1.00 0.00 LB3 ATOM 1882 H18R POPE 1 -6.642 8.923 9.011 1.00 0.00 LB3 ATOM 1883 H18S POPE 1 -7.274 7.402 8.267 1.00 0.00 LB3 ATOM 1884 H18T POPE 1 -5.532 7.533 8.694 1.00 0.00 LB3 ATOM 1885 C33 POPE 1 -11.749 6.984 -14.110 1.00 0.00 LB3 ATOM 1886 H3X POPE 1 -12.589 7.653 -14.405 1.00 0.00 LB3 ATOM 1887 H3Y POPE 1 -12.157 5.946 -14.053 1.00 0.00 LB3 ATOM 1888 C34 POPE 1 -11.260 7.388 -12.707 1.00 0.00 LB3 ATOM 1889 H4X POPE 1 -10.187 7.120 -12.582 1.00 0.00 LB3 ATOM 1890 H4Y POPE 1 -11.345 8.493 -12.597 1.00 0.00 LB3 ATOM 1891 C35 POPE 1 -12.060 6.697 -11.583 1.00 0.00 LB3 ATOM 1892 H5X POPE 1 -13.146 6.733 -11.824 1.00 0.00 LB3 ATOM 1893 H5Y POPE 1 -11.767 5.624 -11.541 1.00 0.00 LB3 ATOM 1894 C36 POPE 1 -11.845 7.345 -10.204 1.00 0.00 LB3 ATOM 1895 H6X POPE 1 -10.755 7.474 -10.024 1.00 0.00 LB3 ATOM 1896 H6Y POPE 1 -12.303 8.360 -10.230 1.00 0.00 LB3 ATOM 1897 C37 POPE 1 -12.450 6.558 -9.024 1.00 0.00 LB3 ATOM 1898 H7X POPE 1 -13.527 6.361 -9.223 1.00 0.00 LB3 ATOM 1899 H7Y POPE 1 -11.929 5.579 -8.935 1.00 0.00 LB3 ATOM 1900 C38 POPE 1 -12.310 7.319 -7.695 1.00 0.00 LB3 ATOM 1901 H8X POPE 1 -11.232 7.554 -7.551 1.00 0.00 LB3 ATOM 1902 H8Y POPE 1 -12.861 8.285 -7.767 1.00 0.00 LB3 ATOM 1903 C39 POPE 1 -12.809 6.567 -6.448 1.00 0.00 LB3 ATOM 1904 H9X POPE 1 -13.906 6.417 -6.514 1.00 0.00 LB3 ATOM 1905 H9Y POPE 1 -12.338 5.563 -6.390 1.00 0.00 LB3 ATOM 1906 C310 POPE 1 -12.491 7.342 -5.161 1.00 0.00 LB3 ATOM 1907 H10X POPE 1 -11.393 7.512 -5.115 1.00 0.00 LB3 ATOM 1908 H10Y POPE 1 -12.981 8.339 -5.215 1.00 0.00 LB3 ATOM 1909 C311 POPE 1 -12.928 6.643 -3.866 1.00 0.00 LB3 ATOM 1910 H11X POPE 1 -14.024 6.459 -3.905 1.00 0.00 LB3 ATOM 1911 H11Y POPE 1 -12.424 5.658 -3.777 1.00 0.00 LB3 ATOM 1912 C312 POPE 1 -12.616 7.496 -2.627 1.00 0.00 LB3 ATOM 1913 H12X POPE 1 -11.533 7.749 -2.607 1.00 0.00 LB3 ATOM 1914 H12Y POPE 1 -13.188 8.446 -2.724 1.00 0.00 LB3 ATOM 1915 C313 POPE 1 -12.991 6.824 -1.299 1.00 0.00 LB3 ATOM 1916 H13X POPE 1 -13.959 6.302 -1.430 1.00 0.00 LB3 ATOM 1917 H13Y POPE 1 -12.235 6.050 -1.051 1.00 0.00 LB3 ATOM 1918 C314 POPE 1 -13.113 7.818 -0.133 1.00 0.00 LB3 ATOM 1919 H14X POPE 1 -12.135 8.313 0.019 1.00 0.00 LB3 ATOM 1920 H14Y POPE 1 -13.863 8.594 -0.403 1.00 0.00 LB3 ATOM 1921 C315 POPE 1 -13.534 7.171 1.192 1.00 0.00 LB3 ATOM 1922 H15X POPE 1 -14.464 6.605 0.988 1.00 0.00 LB3 ATOM 1923 H15Y POPE 1 -12.753 6.445 1.510 1.00 0.00 LB3 ATOM 1924 C316 POPE 1 -13.804 8.150 2.339 1.00 0.00 LB3 ATOM 1925 H16X POPE 1 -14.301 7.628 3.185 1.00 0.00 LB3 ATOM 1926 H16Y POPE 1 -14.464 8.976 1.995 1.00 0.00 LB3 ATOM 1927 H16Z POPE 1 -12.853 8.582 2.718 1.00 0.00 LB3 ATOM 1928 N POPE 1 -9.167 -0.530 -20.504 1.00 0.00 LB4 ATOM 1929 HN1 POPE 1 -8.469 -1.247 -20.803 1.00 0.00 LB4 ATOM 1930 HN2 POPE 1 -9.974 -0.484 -21.180 1.00 0.00 LB4 ATOM 1931 HN3 POPE 1 -8.672 0.392 -20.538 1.00 0.00 LB4 ATOM 1932 C12 POPE 1 -9.677 -0.765 -19.107 1.00 0.00 LB4 ATOM 1933 H12A POPE 1 -8.802 -1.002 -18.464 1.00 0.00 LB4 ATOM 1934 H12B POPE 1 -10.349 -1.647 -19.139 1.00 0.00 LB4 ATOM 1935 C11 POPE 1 -10.409 0.484 -18.573 1.00 0.00 LB4 ATOM 1936 H11A POPE 1 -11.281 0.719 -19.230 1.00 0.00 LB4 ATOM 1937 H11B POPE 1 -10.799 0.240 -17.557 1.00 0.00 LB4 ATOM 1938 P POPE 1 -9.870 3.023 -18.012 1.00 0.00 LB4 ATOM 1939 O13 POPE 1 -8.660 3.639 -17.440 1.00 0.00 LB4 ATOM 1940 O14 POPE 1 -10.445 3.789 -19.143 1.00 0.00 LB4 ATOM 1941 O11 POPE 1 -11.002 2.859 -16.939 1.00 0.00 LB4 ATOM 1942 O12 POPE 1 -9.503 1.580 -18.513 1.00 0.00 LB4 ATOM 1943 C1 POPE 1 -10.732 2.430 -15.608 1.00 0.00 LB4 ATOM 1944 HA POPE 1 -10.307 1.400 -15.595 1.00 0.00 LB4 ATOM 1945 HB POPE 1 -10.009 3.115 -15.104 1.00 0.00 LB4 ATOM 1946 C2 POPE 1 -12.053 2.429 -14.802 1.00 0.00 LB4 ATOM 1947 HS POPE 1 -12.465 3.465 -14.869 1.00 0.00 LB4 ATOM 1948 O21 POPE 1 -11.765 2.078 -13.438 1.00 0.00 LB4 ATOM 1949 C21 POPE 1 -12.534 2.632 -12.499 1.00 0.00 LB4 ATOM 1950 O22 POPE 1 -13.268 3.590 -12.660 1.00 0.00 LB4 ATOM 1951 C22 POPE 1 -12.396 1.838 -11.193 1.00 0.00 LB4 ATOM 1952 H2R POPE 1 -13.214 1.086 -11.163 1.00 0.00 LB4 ATOM 1953 H2S POPE 1 -11.440 1.282 -11.216 1.00 0.00 LB4 ATOM 1954 C3 POPE 1 -13.120 1.458 -15.402 1.00 0.00 LB4 ATOM 1955 HX POPE 1 -14.050 1.482 -14.789 1.00 0.00 LB4 ATOM 1956 HY POPE 1 -13.395 1.858 -16.402 1.00 0.00 LB4 ATOM 1957 O31 POPE 1 -12.625 0.112 -15.587 1.00 0.00 LB4 ATOM 1958 C31 POPE 1 -12.723 -0.702 -14.534 1.00 0.00 LB4 ATOM 1959 O32 POPE 1 -13.205 -0.414 -13.456 1.00 0.00 LB4 ATOM 1960 C32 POPE 1 -12.103 -2.063 -14.881 1.00 0.00 LB4 ATOM 1961 H2X POPE 1 -12.505 -2.421 -15.850 1.00 0.00 LB4 ATOM 1962 H2Y POPE 1 -11.006 -1.924 -14.983 1.00 0.00 LB4 ATOM 1963 C23 POPE 1 -12.421 2.693 -9.903 1.00 0.00 LB4 ATOM 1964 H3R POPE 1 -11.886 3.655 -10.069 1.00 0.00 LB4 ATOM 1965 H3S POPE 1 -13.475 2.930 -9.639 1.00 0.00 LB4 ATOM 1966 C24 POPE 1 -11.725 1.944 -8.756 1.00 0.00 LB4 ATOM 1967 H4R POPE 1 -12.045 0.876 -8.774 1.00 0.00 LB4 ATOM 1968 H4S POPE 1 -10.629 1.973 -8.945 1.00 0.00 LB4 ATOM 1969 C25 POPE 1 -11.989 2.482 -7.344 1.00 0.00 LB4 ATOM 1970 H5R POPE 1 -11.905 3.590 -7.328 1.00 0.00 LB4 ATOM 1971 H5S POPE 1 -13.032 2.209 -7.071 1.00 0.00 LB4 ATOM 1972 C26 POPE 1 -11.009 1.875 -6.324 1.00 0.00 LB4 ATOM 1973 H6R POPE 1 -10.858 0.801 -6.582 1.00 0.00 LB4 ATOM 1974 H6S POPE 1 -10.024 2.379 -6.414 1.00 0.00 LB4 ATOM 1975 C27 POPE 1 -11.491 1.926 -4.866 1.00 0.00 LB4 ATOM 1976 H7R POPE 1 -11.682 2.977 -4.555 1.00 0.00 LB4 ATOM 1977 H7S POPE 1 -12.462 1.380 -4.826 1.00 0.00 LB4 ATOM 1978 C28 POPE 1 -10.479 1.278 -3.896 1.00 0.00 LB4 ATOM 1979 H8R POPE 1 -10.029 0.402 -4.411 1.00 0.00 LB4 ATOM 1980 H8S POPE 1 -9.652 1.995 -3.702 1.00 0.00 LB4 ATOM 1981 C29 POPE 1 -11.141 0.796 -2.630 1.00 0.00 LB4 ATOM 1982 H91 POPE 1 -11.998 0.128 -2.801 1.00 0.00 LB4 ATOM 1983 C210 POPE 1 -10.768 1.028 -1.357 1.00 0.00 LB4 ATOM 1984 H101 POPE 1 -11.411 0.639 -0.557 1.00 0.00 LB4 ATOM 1985 C211 POPE 1 -9.631 1.891 -0.884 1.00 0.00 LB4 ATOM 1986 H11R POPE 1 -8.764 1.829 -1.579 1.00 0.00 LB4 ATOM 1987 H11S POPE 1 -9.987 2.943 -0.887 1.00 0.00 LB4 ATOM 1988 C212 POPE 1 -9.148 1.619 0.562 1.00 0.00 LB4 ATOM 1989 H12R POPE 1 -8.769 0.582 0.656 1.00 0.00 LB4 ATOM 1990 H12S POPE 1 -8.292 2.297 0.771 1.00 0.00 LB4 ATOM 1991 C213 POPE 1 -10.212 1.860 1.646 1.00 0.00 LB4 ATOM 1992 H13R POPE 1 -10.581 2.904 1.582 1.00 0.00 LB4 ATOM 1993 H13S POPE 1 -11.073 1.186 1.465 1.00 0.00 LB4 ATOM 1994 C214 POPE 1 -9.696 1.587 3.066 1.00 0.00 LB4 ATOM 1995 H14R POPE 1 -9.353 0.529 3.122 1.00 0.00 LB4 ATOM 1996 H14S POPE 1 -8.816 2.232 3.260 1.00 0.00 LB4 ATOM 1997 C215 POPE 1 -10.752 1.828 4.158 1.00 0.00 LB4 ATOM 1998 H15R POPE 1 -10.960 2.920 4.231 1.00 0.00 LB4 ATOM 1999 H15S POPE 1 -11.699 1.320 3.871 1.00 0.00 LB4 ATOM 2000 C216 POPE 1 -10.311 1.300 5.532 1.00 0.00 LB4 ATOM 2001 H16R POPE 1 -10.077 0.221 5.456 1.00 0.00 LB4 ATOM 2002 H16S POPE 1 -9.373 1.801 5.839 1.00 0.00 LB4 ATOM 2003 C217 POPE 1 -11.351 1.511 6.637 1.00 0.00 LB4 ATOM 2004 H17R POPE 1 -11.626 2.586 6.646 1.00 0.00 LB4 ATOM 2005 H17S POPE 1 -12.262 0.919 6.397 1.00 0.00 LB4 ATOM 2006 C218 POPE 1 -10.847 1.148 8.035 1.00 0.00 LB4 ATOM 2007 H18R POPE 1 -11.670 1.197 8.780 1.00 0.00 LB4 ATOM 2008 H18S POPE 1 -10.408 0.129 8.044 1.00 0.00 LB4 ATOM 2009 H18T POPE 1 -10.056 1.859 8.348 1.00 0.00 LB4 ATOM 2010 C33 POPE 1 -12.385 -3.107 -13.776 1.00 0.00 LB4 ATOM 2011 H3X POPE 1 -11.827 -4.043 -14.006 1.00 0.00 LB4 ATOM 2012 H3Y POPE 1 -11.989 -2.719 -12.811 1.00 0.00 LB4 ATOM 2013 C34 POPE 1 -13.875 -3.466 -13.619 1.00 0.00 LB4 ATOM 2014 H4X POPE 1 -14.492 -2.544 -13.508 1.00 0.00 LB4 ATOM 2015 H4Y POPE 1 -14.225 -3.982 -14.539 1.00 0.00 LB4 ATOM 2016 C35 POPE 1 -14.161 -4.349 -12.390 1.00 0.00 LB4 ATOM 2017 H5X POPE 1 -15.192 -4.761 -12.483 1.00 0.00 LB4 ATOM 2018 H5Y POPE 1 -13.453 -5.207 -12.373 1.00 0.00 LB4 ATOM 2019 C36 POPE 1 -14.070 -3.552 -11.079 1.00 0.00 LB4 ATOM 2020 H6X POPE 1 -13.033 -3.172 -10.954 1.00 0.00 LB4 ATOM 2021 H6Y POPE 1 -14.743 -2.667 -11.160 1.00 0.00 LB4 ATOM 2022 C37 POPE 1 -14.451 -4.351 -9.824 1.00 0.00 LB4 ATOM 2023 H7X POPE 1 -15.517 -4.661 -9.893 1.00 0.00 LB4 ATOM 2024 H7Y POPE 1 -13.828 -5.272 -9.778 1.00 0.00 LB4 ATOM 2025 C38 POPE 1 -14.231 -3.517 -8.555 1.00 0.00 LB4 ATOM 2026 H8X POPE 1 -13.183 -3.140 -8.570 1.00 0.00 LB4 ATOM 2027 H8Y POPE 1 -14.906 -2.632 -8.579 1.00 0.00 LB4 ATOM 2028 C39 POPE 1 -14.443 -4.281 -7.241 1.00 0.00 LB4 ATOM 2029 H9X POPE 1 -15.505 -4.600 -7.159 1.00 0.00 LB4 ATOM 2030 H9Y POPE 1 -13.813 -5.197 -7.255 1.00 0.00 LB4 ATOM 2031 C310 POPE 1 -14.063 -3.413 -6.031 1.00 0.00 LB4 ATOM 2032 H10X POPE 1 -13.073 -2.942 -6.228 1.00 0.00 LB4 ATOM 2033 H10Y POPE 1 -14.811 -2.598 -5.923 1.00 0.00 LB4 ATOM 2034 C311 POPE 1 -13.956 -4.184 -4.712 1.00 0.00 LB4 ATOM 2035 H11X POPE 1 -14.904 -4.734 -4.520 1.00 0.00 LB4 ATOM 2036 H11Y POPE 1 -13.139 -4.935 -4.797 1.00 0.00 LB4 ATOM 2037 C312 POPE 1 -13.663 -3.270 -3.510 1.00 0.00 LB4 ATOM 2038 H12X POPE 1 -12.836 -2.571 -3.751 1.00 0.00 LB4 ATOM 2039 H12Y POPE 1 -14.568 -2.657 -3.303 1.00 0.00 LB4 ATOM 2040 C313 POPE 1 -13.287 -4.089 -2.271 1.00 0.00 LB4 ATOM 2041 H13X POPE 1 -14.009 -4.936 -2.210 1.00 0.00 LB4 ATOM 2042 H13Y POPE 1 -12.277 -4.535 -2.407 1.00 0.00 LB4 ATOM 2043 C314 POPE 1 -13.342 -3.332 -0.935 1.00 0.00 LB4 ATOM 2044 H14X POPE 1 -12.501 -2.616 -0.853 1.00 0.00 LB4 ATOM 2045 H14Y POPE 1 -14.286 -2.753 -0.874 1.00 0.00 LB4 ATOM 2046 C315 POPE 1 -13.302 -4.345 0.215 1.00 0.00 LB4 ATOM 2047 H15X POPE 1 -14.145 -5.049 0.052 1.00 0.00 LB4 ATOM 2048 H15Y POPE 1 -12.362 -4.929 0.120 1.00 0.00 LB4 ATOM 2049 C316 POPE 1 -13.418 -3.816 1.643 1.00 0.00 LB4 ATOM 2050 H16X POPE 1 -13.816 -2.782 1.663 1.00 0.00 LB4 ATOM 2051 H16Y POPE 1 -12.426 -3.827 2.139 1.00 0.00 LB4 ATOM 2052 H16Z POPE 1 -14.095 -4.464 2.242 1.00 0.00 LB4 ATOM 2053 N POPE 1 -5.631 -7.976 -19.969 1.00 0.00 LB5 ATOM 2054 HN1 POPE 1 -4.730 -8.500 -19.821 1.00 0.00 LB5 ATOM 2055 HN2 POPE 1 -6.136 -8.503 -20.726 1.00 0.00 LB5 ATOM 2056 HN3 POPE 1 -5.416 -7.005 -20.295 1.00 0.00 LB5 ATOM 2057 C12 POPE 1 -6.396 -8.064 -18.677 1.00 0.00 LB5 ATOM 2058 H12A POPE 1 -5.760 -7.649 -17.868 1.00 0.00 LB5 ATOM 2059 H12B POPE 1 -6.558 -9.146 -18.479 1.00 0.00 LB5 ATOM 2060 C11 POPE 1 -7.741 -7.331 -18.742 1.00 0.00 LB5 ATOM 2061 H11A POPE 1 -8.223 -7.486 -19.737 1.00 0.00 LB5 ATOM 2062 H11B POPE 1 -8.395 -7.811 -17.974 1.00 0.00 LB5 ATOM 2063 P POPE 1 -8.831 -5.033 -18.230 1.00 0.00 LB5 ATOM 2064 O13 POPE 1 -8.429 -3.681 -17.796 1.00 0.00 LB5 ATOM 2065 O14 POPE 1 -9.668 -5.130 -19.449 1.00 0.00 LB5 ATOM 2066 O11 POPE 1 -9.588 -5.793 -17.055 1.00 0.00 LB5 ATOM 2067 O12 POPE 1 -7.551 -5.938 -18.469 1.00 0.00 LB5 ATOM 2068 C1 POPE 1 -9.007 -5.860 -15.744 1.00 0.00 LB5 ATOM 2069 HA POPE 1 -7.918 -6.104 -15.771 1.00 0.00 LB5 ATOM 2070 HB POPE 1 -9.122 -4.871 -15.241 1.00 0.00 LB5 ATOM 2071 C2 POPE 1 -9.723 -6.932 -14.866 1.00 0.00 LB5 ATOM 2072 HS POPE 1 -10.815 -6.738 -14.996 1.00 0.00 LB5 ATOM 2073 O21 POPE 1 -9.342 -6.764 -13.481 1.00 0.00 LB5 ATOM 2074 C21 POPE 1 -10.300 -6.961 -12.567 1.00 0.00 LB5 ATOM 2075 O22 POPE 1 -11.462 -7.234 -12.804 1.00 0.00 LB5 ATOM 2076 C22 POPE 1 -9.700 -6.795 -11.159 1.00 0.00 LB5 ATOM 2077 H2R POPE 1 -8.977 -7.625 -11.009 1.00 0.00 LB5 ATOM 2078 H2S POPE 1 -9.145 -5.834 -11.132 1.00 0.00 LB5 ATOM 2079 C3 POPE 1 -9.463 -8.402 -15.332 1.00 0.00 LB5 ATOM 2080 HX POPE 1 -10.063 -9.079 -14.680 1.00 0.00 LB5 ATOM 2081 HY POPE 1 -9.852 -8.498 -16.370 1.00 0.00 LB5 ATOM 2082 O31 POPE 1 -8.064 -8.775 -15.293 1.00 0.00 LB5 ATOM 2083 C31 POPE 1 -7.832 -10.049 -15.650 1.00 0.00 LB5 ATOM 2084 O32 POPE 1 -8.688 -10.833 -16.023 1.00 0.00 LB5 ATOM 2085 C32 POPE 1 -6.338 -10.389 -15.570 1.00 0.00 LB5 ATOM 2086 H2X POPE 1 -6.031 -10.774 -16.567 1.00 0.00 LB5 ATOM 2087 H2Y POPE 1 -5.739 -9.481 -15.352 1.00 0.00 LB5 ATOM 2088 C23 POPE 1 -10.728 -6.820 -9.990 1.00 0.00 LB5 ATOM 2089 H3R POPE 1 -11.458 -5.990 -10.107 1.00 0.00 LB5 ATOM 2090 H3S POPE 1 -11.296 -7.777 -10.017 1.00 0.00 LB5 ATOM 2091 C24 POPE 1 -10.011 -6.692 -8.629 1.00 0.00 LB5 ATOM 2092 H4R POPE 1 -9.230 -7.486 -8.585 1.00 0.00 LB5 ATOM 2093 H4S POPE 1 -9.493 -5.708 -8.585 1.00 0.00 LB5 ATOM 2094 C25 POPE 1 -10.878 -6.845 -7.361 1.00 0.00 LB5 ATOM 2095 H5R POPE 1 -11.702 -6.099 -7.359 1.00 0.00 LB5 ATOM 2096 H5S POPE 1 -11.330 -7.862 -7.356 1.00 0.00 LB5 ATOM 2097 C26 POPE 1 -10.017 -6.663 -6.094 1.00 0.00 LB5 ATOM 2098 H6R POPE 1 -9.045 -7.175 -6.275 1.00 0.00 LB5 ATOM 2099 H6S POPE 1 -9.797 -5.582 -5.945 1.00 0.00 LB5 ATOM 2100 C27 POPE 1 -10.589 -7.249 -4.788 1.00 0.00 LB5 ATOM 2101 H7R POPE 1 -11.552 -6.752 -4.538 1.00 0.00 LB5 ATOM 2102 H7S POPE 1 -10.788 -8.334 -4.944 1.00 0.00 LB5 ATOM 2103 C28 POPE 1 -9.583 -7.078 -3.622 1.00 0.00 LB5 ATOM 2104 H8R POPE 1 -8.614 -7.480 -3.988 1.00 0.00 LB5 ATOM 2105 H8S POPE 1 -9.432 -5.987 -3.463 1.00 0.00 LB5 ATOM 2106 C29 POPE 1 -9.906 -7.807 -2.338 1.00 0.00 LB5 ATOM 2107 H91 POPE 1 -10.177 -8.867 -2.469 1.00 0.00 LB5 ATOM 2108 C210 POPE 1 -9.816 -7.317 -1.082 1.00 0.00 LB5 ATOM 2109 H101 POPE 1 -10.121 -7.955 -0.239 1.00 0.00 LB5 ATOM 2110 C211 POPE 1 -9.446 -5.908 -0.695 1.00 0.00 LB5 ATOM 2111 H11R POPE 1 -8.846 -5.417 -1.493 1.00 0.00 LB5 ATOM 2112 H11S POPE 1 -10.379 -5.316 -0.581 1.00 0.00 LB5 ATOM 2113 C212 POPE 1 -8.664 -5.766 0.628 1.00 0.00 LB5 ATOM 2114 H12R POPE 1 -7.817 -6.472 0.635 1.00 0.00 LB5 ATOM 2115 H12S POPE 1 -8.207 -4.754 0.654 1.00 0.00 LB5 ATOM 2116 C213 POPE 1 -9.484 -5.942 1.918 1.00 0.00 LB5 ATOM 2117 H13R POPE 1 -10.431 -5.363 1.846 1.00 0.00 LB5 ATOM 2118 H13S POPE 1 -9.749 -7.014 2.040 1.00 0.00 LB5 ATOM 2119 C214 POPE 1 -8.708 -5.447 3.151 1.00 0.00 LB5 ATOM 2120 H14R POPE 1 -7.693 -5.893 3.130 1.00 0.00 LB5 ATOM 2121 H14S POPE 1 -8.563 -4.348 3.081 1.00 0.00 LB5 ATOM 2122 C215 POPE 1 -9.404 -5.778 4.480 1.00 0.00 LB5 ATOM 2123 H15R POPE 1 -10.420 -5.323 4.481 1.00 0.00 LB5 ATOM 2124 H15S POPE 1 -9.532 -6.880 4.558 1.00 0.00 LB5 ATOM 2125 C216 POPE 1 -8.640 -5.269 5.714 1.00 0.00 LB5 ATOM 2126 H16R POPE 1 -7.601 -5.665 5.700 1.00 0.00 LB5 ATOM 2127 H16S POPE 1 -8.571 -4.160 5.659 1.00 0.00 LB5 ATOM 2128 C217 POPE 1 -9.332 -5.676 7.024 1.00 0.00 LB5 ATOM 2129 H17R POPE 1 -10.391 -5.338 6.979 1.00 0.00 LB5 ATOM 2130 H17S POPE 1 -9.339 -6.787 7.092 1.00 0.00 LB5 ATOM 2131 C218 POPE 1 -8.697 -5.098 8.291 1.00 0.00 LB5 ATOM 2132 H18R POPE 1 -9.251 -5.428 9.196 1.00 0.00 LB5 ATOM 2133 H18S POPE 1 -7.653 -5.453 8.391 1.00 0.00 LB5 ATOM 2134 H18T POPE 1 -8.702 -3.987 8.263 1.00 0.00 LB5 ATOM 2135 C33 POPE 1 -6.055 -11.478 -14.508 1.00 0.00 LB5 ATOM 2136 H3X POPE 1 -6.622 -12.404 -14.749 1.00 0.00 LB5 ATOM 2137 H3Y POPE 1 -4.973 -11.737 -14.556 1.00 0.00 LB5 ATOM 2138 C34 POPE 1 -6.387 -11.029 -13.078 1.00 0.00 LB5 ATOM 2139 H4X POPE 1 -5.876 -10.060 -12.881 1.00 0.00 LB5 ATOM 2140 H4Y POPE 1 -7.483 -10.856 -12.985 1.00 0.00 LB5 ATOM 2141 C35 POPE 1 -5.951 -12.035 -12.002 1.00 0.00 LB5 ATOM 2142 H5X POPE 1 -6.492 -12.995 -12.152 1.00 0.00 LB5 ATOM 2143 H5Y POPE 1 -4.862 -12.243 -12.111 1.00 0.00 LB5 ATOM 2144 C36 POPE 1 -6.225 -11.498 -10.591 1.00 0.00 LB5 ATOM 2145 H6X POPE 1 -5.658 -10.548 -10.461 1.00 0.00 LB5 ATOM 2146 H6Y POPE 1 -7.307 -11.255 -10.503 1.00 0.00 LB5 ATOM 2147 C37 POPE 1 -5.840 -12.462 -9.459 1.00 0.00 LB5 ATOM 2148 H7X POPE 1 -6.488 -13.364 -9.500 1.00 0.00 LB5 ATOM 2149 H7Y POPE 1 -4.789 -12.797 -9.591 1.00 0.00 LB5 ATOM 2150 C38 POPE 1 -5.988 -11.775 -8.095 1.00 0.00 LB5 ATOM 2151 H8X POPE 1 -5.306 -10.895 -8.075 1.00 0.00 LB5 ATOM 2152 H8Y POPE 1 -7.029 -11.391 -7.999 1.00 0.00 LB5 ATOM 2153 C39 POPE 1 -5.682 -12.664 -6.880 1.00 0.00 LB5 ATOM 2154 H9X POPE 1 -6.373 -13.535 -6.880 1.00 0.00 LB5 ATOM 2155 H9Y POPE 1 -4.644 -13.056 -6.947 1.00 0.00 LB5 ATOM 2156 C310 POPE 1 -5.848 -11.868 -5.576 1.00 0.00 LB5 ATOM 2157 H10X POPE 1 -5.126 -11.021 -5.581 1.00 0.00 LB5 ATOM 2158 H10Y POPE 1 -6.873 -11.435 -5.549 1.00 0.00 LB5 ATOM 2159 C311 POPE 1 -5.626 -12.681 -4.296 1.00 0.00 LB5 ATOM 2160 H11X POPE 1 -6.332 -13.540 -4.276 1.00 0.00 LB5 ATOM 2161 H11Y POPE 1 -4.591 -13.086 -4.291 1.00 0.00 LB5 ATOM 2162 C312 POPE 1 -5.842 -11.818 -3.045 1.00 0.00 LB5 ATOM 2163 H12X POPE 1 -5.162 -10.937 -3.088 1.00 0.00 LB5 ATOM 2164 H12Y POPE 1 -6.891 -11.445 -3.044 1.00 0.00 LB5 ATOM 2165 C313 POPE 1 -5.577 -12.579 -1.743 1.00 0.00 LB5 ATOM 2166 H13X POPE 1 -6.093 -13.563 -1.786 1.00 0.00 LB5 ATOM 2167 H13Y POPE 1 -4.484 -12.774 -1.657 1.00 0.00 LB5 ATOM 2168 C314 POPE 1 -6.059 -11.821 -0.497 1.00 0.00 LB5 ATOM 2169 H14X POPE 1 -5.544 -10.839 -0.443 1.00 0.00 LB5 ATOM 2170 H14Y POPE 1 -7.150 -11.629 -0.581 1.00 0.00 LB5 ATOM 2171 C315 POPE 1 -5.777 -12.610 0.784 1.00 0.00 LB5 ATOM 2172 H15X POPE 1 -6.196 -13.633 0.674 1.00 0.00 LB5 ATOM 2173 H15Y POPE 1 -4.680 -12.705 0.869 1.00 0.00 LB5 ATOM 2174 C316 POPE 1 -6.271 -11.981 2.086 1.00 0.00 LB5 ATOM 2175 H16X POPE 1 -7.343 -11.709 2.018 1.00 0.00 LB5 ATOM 2176 H16Y POPE 1 -5.689 -11.064 2.313 1.00 0.00 LB5 ATOM 2177 H16Z POPE 1 -6.148 -12.691 2.933 1.00 0.00 LB5 ATOM 2178 N POPE 1 0.346 -8.668 -20.984 1.00 0.00 LB6 ATOM 2179 HN1 POPE 1 1.162 -8.012 -20.925 1.00 0.00 LB6 ATOM 2180 HN2 POPE 1 0.239 -9.077 -21.942 1.00 0.00 LB6 ATOM 2181 HN3 POPE 1 -0.520 -8.115 -20.775 1.00 0.00 LB6 ATOM 2182 C12 POPE 1 0.533 -9.772 -19.975 1.00 0.00 LB6 ATOM 2183 H12A POPE 1 1.187 -9.386 -19.163 1.00 0.00 LB6 ATOM 2184 H12B POPE 1 1.045 -10.613 -20.485 1.00 0.00 LB6 ATOM 2185 C11 POPE 1 -0.813 -10.223 -19.392 1.00 0.00 LB6 ATOM 2186 H11A POPE 1 -1.461 -10.589 -20.227 1.00 0.00 LB6 ATOM 2187 H11B POPE 1 -0.630 -11.079 -18.697 1.00 0.00 LB6 ATOM 2188 P POPE 1 -2.870 -9.300 -18.117 1.00 0.00 LB6 ATOM 2189 O13 POPE 1 -3.279 -8.063 -17.423 1.00 0.00 LB6 ATOM 2190 O14 POPE 1 -3.753 -9.707 -19.233 1.00 0.00 LB6 ATOM 2191 O11 POPE 1 -2.732 -10.486 -17.085 1.00 0.00 LB6 ATOM 2192 O12 POPE 1 -1.415 -9.128 -18.696 1.00 0.00 LB6 ATOM 2193 C1 POPE 1 -2.011 -10.214 -15.875 1.00 0.00 LB6 ATOM 2194 HA POPE 1 -1.009 -9.763 -16.073 1.00 0.00 LB6 ATOM 2195 HB POPE 1 -2.596 -9.504 -15.242 1.00 0.00 LB6 ATOM 2196 C2 POPE 1 -1.794 -11.507 -15.049 1.00 0.00 LB6 ATOM 2197 HS POPE 1 -2.798 -11.989 -14.959 1.00 0.00 LB6 ATOM 2198 O21 POPE 1 -1.289 -11.120 -13.755 1.00 0.00 LB6 ATOM 2199 C21 POPE 1 -1.678 -11.863 -12.729 1.00 0.00 LB6 ATOM 2200 O22 POPE 1 -2.367 -12.866 -12.790 1.00 0.00 LB6 ATOM 2201 C22 POPE 1 -1.132 -11.248 -11.439 1.00 0.00 LB6 ATOM 2202 H2R POPE 1 -0.026 -11.339 -11.444 1.00 0.00 LB6 ATOM 2203 H2S POPE 1 -1.399 -10.171 -11.420 1.00 0.00 LB6 ATOM 2204 C3 POPE 1 -0.846 -12.544 -15.723 1.00 0.00 LB6 ATOM 2205 HX POPE 1 -0.844 -13.450 -15.072 1.00 0.00 LB6 ATOM 2206 HY POPE 1 -1.282 -12.825 -16.708 1.00 0.00 LB6 ATOM 2207 O31 POPE 1 0.491 -12.027 -15.904 1.00 0.00 LB6 ATOM 2208 C31 POPE 1 1.431 -12.951 -16.128 1.00 0.00 LB6 ATOM 2209 O32 POPE 1 1.220 -14.143 -16.273 1.00 0.00 LB6 ATOM 2210 C32 POPE 1 2.820 -12.294 -16.153 1.00 0.00 LB6 ATOM 2211 H2X POPE 1 3.218 -12.378 -17.186 1.00 0.00 LB6 ATOM 2212 H2Y POPE 1 2.744 -11.216 -15.897 1.00 0.00 LB6 ATOM 2213 C23 POPE 1 -1.709 -11.929 -10.179 1.00 0.00 LB6 ATOM 2214 H3R POPE 1 -2.822 -11.897 -10.215 1.00 0.00 LB6 ATOM 2215 H3S POPE 1 -1.400 -12.998 -10.161 1.00 0.00 LB6 ATOM 2216 C24 POPE 1 -1.233 -11.231 -8.900 1.00 0.00 LB6 ATOM 2217 H4R POPE 1 -0.120 -11.208 -8.887 1.00 0.00 LB6 ATOM 2218 H4S POPE 1 -1.587 -10.173 -8.915 1.00 0.00 LB6 ATOM 2219 C25 POPE 1 -1.724 -11.893 -7.605 1.00 0.00 LB6 ATOM 2220 H5R POPE 1 -2.836 -11.925 -7.603 1.00 0.00 LB6 ATOM 2221 H5S POPE 1 -1.348 -12.940 -7.560 1.00 0.00 LB6 ATOM 2222 C26 POPE 1 -1.235 -11.113 -6.378 1.00 0.00 LB6 ATOM 2223 H6R POPE 1 -0.134 -10.971 -6.473 1.00 0.00 LB6 ATOM 2224 H6S POPE 1 -1.703 -10.103 -6.379 1.00 0.00 LB6 ATOM 2225 C27 POPE 1 -1.507 -11.806 -5.035 1.00 0.00 LB6 ATOM 2226 H7R POPE 1 -2.595 -12.012 -4.929 1.00 0.00 LB6 ATOM 2227 H7S POPE 1 -0.970 -12.782 -5.039 1.00 0.00 LB6 ATOM 2228 C28 POPE 1 -1.033 -10.940 -3.851 1.00 0.00 LB6 ATOM 2229 H8R POPE 1 -0.024 -10.558 -4.117 1.00 0.00 LB6 ATOM 2230 H8S POPE 1 -1.702 -10.056 -3.763 1.00 0.00 LB6 ATOM 2231 C29 POPE 1 -0.934 -11.716 -2.563 1.00 0.00 LB6 ATOM 2232 H91 POPE 1 -0.349 -12.644 -2.642 1.00 0.00 LB6 ATOM 2233 C210 POPE 1 -1.420 -11.370 -1.355 1.00 0.00 LB6 ATOM 2234 H101 POPE 1 -1.285 -12.076 -0.524 1.00 0.00 LB6 ATOM 2235 C211 POPE 1 -2.232 -10.147 -1.016 1.00 0.00 LB6 ATOM 2236 H11R POPE 1 -2.048 -9.321 -1.738 1.00 0.00 LB6 ATOM 2237 H11S POPE 1 -3.311 -10.410 -1.084 1.00 0.00 LB6 ATOM 2238 C212 POPE 1 -1.999 -9.616 0.418 1.00 0.00 LB6 ATOM 2239 H12R POPE 1 -0.927 -9.381 0.583 1.00 0.00 LB6 ATOM 2240 H12S POPE 1 -2.556 -8.659 0.520 1.00 0.00 LB6 ATOM 2241 C213 POPE 1 -2.485 -10.586 1.509 1.00 0.00 LB6 ATOM 2242 H13R POPE 1 -3.493 -10.957 1.230 1.00 0.00 LB6 ATOM 2243 H13S POPE 1 -1.799 -11.462 1.545 1.00 0.00 LB6 ATOM 2244 C214 POPE 1 -2.574 -9.976 2.918 1.00 0.00 LB6 ATOM 2245 H14R POPE 1 -1.579 -9.563 3.191 1.00 0.00 LB6 ATOM 2246 H14S POPE 1 -3.300 -9.133 2.928 1.00 0.00 LB6 ATOM 2247 C215 POPE 1 -2.999 -11.032 3.951 1.00 0.00 LB6 ATOM 2248 H15R POPE 1 -4.060 -11.314 3.776 1.00 0.00 LB6 ATOM 2249 H15S POPE 1 -2.384 -11.948 3.792 1.00 0.00 LB6 ATOM 2250 C216 POPE 1 -2.837 -10.589 5.413 1.00 0.00 LB6 ATOM 2251 H16R POPE 1 -1.790 -10.257 5.582 1.00 0.00 LB6 ATOM 2252 H16S POPE 1 -3.504 -9.725 5.617 1.00 0.00 LB6 ATOM 2253 C217 POPE 1 -3.162 -11.735 6.379 1.00 0.00 LB6 ATOM 2254 H17R POPE 1 -4.214 -12.052 6.205 1.00 0.00 LB6 ATOM 2255 H17S POPE 1 -2.502 -12.596 6.125 1.00 0.00 LB6 ATOM 2256 C218 POPE 1 -2.987 -11.406 7.862 1.00 0.00 LB6 ATOM 2257 H18R POPE 1 -3.741 -10.655 8.177 1.00 0.00 LB6 ATOM 2258 H18S POPE 1 -3.124 -12.311 8.489 1.00 0.00 LB6 ATOM 2259 H18T POPE 1 -1.969 -11.006 8.051 1.00 0.00 LB6 ATOM 2260 C33 POPE 1 3.802 -12.978 -15.169 1.00 0.00 LB6 ATOM 2261 H3X POPE 1 4.068 -13.990 -15.549 1.00 0.00 LB6 ATOM 2262 H3Y POPE 1 4.739 -12.378 -15.132 1.00 0.00 LB6 ATOM 2263 C34 POPE 1 3.254 -13.134 -13.739 1.00 0.00 LB6 ATOM 2264 H4X POPE 1 2.851 -12.163 -13.378 1.00 0.00 LB6 ATOM 2265 H4Y POPE 1 2.415 -13.866 -13.756 1.00 0.00 LB6 ATOM 2266 C35 POPE 1 4.308 -13.636 -12.739 1.00 0.00 LB6 ATOM 2267 H5X POPE 1 4.891 -14.468 -13.196 1.00 0.00 LB6 ATOM 2268 H5Y POPE 1 5.024 -12.812 -12.519 1.00 0.00 LB6 ATOM 2269 C36 POPE 1 3.680 -14.139 -11.430 1.00 0.00 LB6 ATOM 2270 H6X POPE 1 2.914 -13.406 -11.089 1.00 0.00 LB6 ATOM 2271 H6Y POPE 1 3.159 -15.103 -11.624 1.00 0.00 LB6 ATOM 2272 C37 POPE 1 4.703 -14.330 -10.300 1.00 0.00 LB6 ATOM 2273 H7X POPE 1 5.538 -14.979 -10.646 1.00 0.00 LB6 ATOM 2274 H7Y POPE 1 5.135 -13.334 -10.049 1.00 0.00 LB6 ATOM 2275 C38 POPE 1 4.070 -14.942 -9.042 1.00 0.00 LB6 ATOM 2276 H8X POPE 1 3.074 -14.469 -8.880 1.00 0.00 LB6 ATOM 2277 H8Y POPE 1 3.897 -16.028 -9.206 1.00 0.00 LB6 ATOM 2278 C39 POPE 1 4.903 -14.738 -7.767 1.00 0.00 LB6 ATOM 2279 H9X POPE 1 5.936 -15.115 -7.911 1.00 0.00 LB6 ATOM 2280 H9Y POPE 1 4.980 -13.647 -7.575 1.00 0.00 LB6 ATOM 2281 C310 POPE 1 4.249 -15.418 -6.554 1.00 0.00 LB6 ATOM 2282 H10X POPE 1 3.158 -15.193 -6.581 1.00 0.00 LB6 ATOM 2283 H10Y POPE 1 4.366 -16.519 -6.641 1.00 0.00 LB6 ATOM 2284 C311 POPE 1 4.790 -14.957 -5.193 1.00 0.00 LB6 ATOM 2285 H11X POPE 1 5.863 -15.229 -5.093 1.00 0.00 LB6 ATOM 2286 H11Y POPE 1 4.716 -13.851 -5.136 1.00 0.00 LB6 ATOM 2287 C312 POPE 1 3.981 -15.554 -4.032 1.00 0.00 LB6 ATOM 2288 H12X POPE 1 2.899 -15.527 -4.300 1.00 0.00 LB6 ATOM 2289 H12Y POPE 1 4.272 -16.618 -3.900 1.00 0.00 LB6 ATOM 2290 C313 POPE 1 4.156 -14.791 -2.714 1.00 0.00 LB6 ATOM 2291 H13X POPE 1 5.227 -14.824 -2.415 1.00 0.00 LB6 ATOM 2292 H13Y POPE 1 3.873 -13.727 -2.878 1.00 0.00 LB6 ATOM 2293 C314 POPE 1 3.303 -15.368 -1.573 1.00 0.00 LB6 ATOM 2294 H14X POPE 1 2.250 -15.478 -1.916 1.00 0.00 LB6 ATOM 2295 H14Y POPE 1 3.709 -16.373 -1.334 1.00 0.00 LB6 ATOM 2296 C315 POPE 1 3.327 -14.498 -0.311 1.00 0.00 LB6 ATOM 2297 H15X POPE 1 4.384 -14.439 0.033 1.00 0.00 LB6 ATOM 2298 H15Y POPE 1 2.987 -13.477 -0.594 1.00 0.00 LB6 ATOM 2299 C316 POPE 1 2.489 -14.982 0.871 1.00 0.00 LB6 ATOM 2300 H16X POPE 1 2.876 -15.954 1.235 1.00 0.00 LB6 ATOM 2301 H16Y POPE 1 1.420 -15.094 0.591 1.00 0.00 LB6 ATOM 2302 H16Z POPE 1 2.559 -14.258 1.712 1.00 0.00 LB6 ATOM 2303 N POPE 1 8.738 -5.757 -20.142 1.00 0.00 LB7 ATOM 2304 HN1 POPE 1 9.242 -4.830 -20.133 1.00 0.00 LB7 ATOM 2305 HN2 POPE 1 8.939 -6.280 -21.033 1.00 0.00 LB7 ATOM 2306 HN3 POPE 1 7.713 -5.592 -20.102 1.00 0.00 LB7 ATOM 2307 C12 POPE 1 9.091 -6.599 -18.944 1.00 0.00 LB7 ATOM 2308 H12A POPE 1 8.874 -5.998 -18.035 1.00 0.00 LB7 ATOM 2309 H12B POPE 1 10.178 -6.815 -18.987 1.00 0.00 LB7 ATOM 2310 C11 POPE 1 8.274 -7.909 -18.925 1.00 0.00 LB7 ATOM 2311 H11A POPE 1 8.569 -8.511 -19.815 1.00 0.00 LB7 ATOM 2312 H11B POPE 1 8.569 -8.484 -18.013 1.00 0.00 LB7 ATOM 2313 P POPE 1 5.845 -8.876 -18.857 1.00 0.00 LB7 ATOM 2314 O13 POPE 1 4.467 -8.348 -18.851 1.00 0.00 LB7 ATOM 2315 O14 POPE 1 6.198 -9.883 -19.898 1.00 0.00 LB7 ATOM 2316 O11 POPE 1 6.181 -9.524 -17.464 1.00 0.00 LB7 ATOM 2317 O12 POPE 1 6.864 -7.651 -18.943 1.00 0.00 LB7 ATOM 2318 C1 POPE 1 5.977 -8.824 -16.237 1.00 0.00 LB7 ATOM 2319 HA POPE 1 6.385 -7.787 -16.271 1.00 0.00 LB7 ATOM 2320 HB POPE 1 4.886 -8.769 -16.014 1.00 0.00 LB7 ATOM 2321 C2 POPE 1 6.680 -9.588 -15.084 1.00 0.00 LB7 ATOM 2322 HS POPE 1 6.311 -10.640 -15.136 1.00 0.00 LB7 ATOM 2323 O21 POPE 1 6.303 -8.992 -13.826 1.00 0.00 LB7 ATOM 2324 C21 POPE 1 6.472 -9.764 -12.756 1.00 0.00 LB7 ATOM 2325 O22 POPE 1 6.840 -10.925 -12.762 1.00 0.00 LB7 ATOM 2326 C22 POPE 1 6.125 -8.963 -11.500 1.00 0.00 LB7 ATOM 2327 H2R POPE 1 6.675 -7.999 -11.534 1.00 0.00 LB7 ATOM 2328 H2S POPE 1 5.036 -8.753 -11.512 1.00 0.00 LB7 ATOM 2329 C3 POPE 1 8.231 -9.632 -15.254 1.00 0.00 LB7 ATOM 2330 HX POPE 1 8.655 -10.299 -14.469 1.00 0.00 LB7 ATOM 2331 HY POPE 1 8.442 -10.096 -16.246 1.00 0.00 LB7 ATOM 2332 O31 POPE 1 8.829 -8.320 -15.168 1.00 0.00 LB7 ATOM 2333 C31 POPE 1 10.152 -8.320 -15.374 1.00 0.00 LB7 ATOM 2334 O32 POPE 1 10.807 -9.289 -15.702 1.00 0.00 LB7 ATOM 2335 C32 POPE 1 10.723 -6.911 -15.167 1.00 0.00 LB7 ATOM 2336 H2X POPE 1 11.141 -6.572 -16.137 1.00 0.00 LB7 ATOM 2337 H2Y POPE 1 9.923 -6.203 -14.867 1.00 0.00 LB7 ATOM 2338 C23 POPE 1 6.498 -9.713 -10.201 1.00 0.00 LB7 ATOM 2339 H3R POPE 1 5.951 -10.683 -10.146 1.00 0.00 LB7 ATOM 2340 H3S POPE 1 7.588 -9.943 -10.206 1.00 0.00 LB7 ATOM 2341 C24 POPE 1 6.173 -8.878 -8.956 1.00 0.00 LB7 ATOM 2342 H4R POPE 1 6.661 -7.880 -9.046 1.00 0.00 LB7 ATOM 2343 H4S POPE 1 5.074 -8.706 -8.906 1.00 0.00 LB7 ATOM 2344 C25 POPE 1 6.641 -9.525 -7.645 1.00 0.00 LB7 ATOM 2345 H5R POPE 1 6.186 -10.535 -7.537 1.00 0.00 LB7 ATOM 2346 H5S POPE 1 7.748 -9.653 -7.669 1.00 0.00 LB7 ATOM 2347 C26 POPE 1 6.256 -8.653 -6.443 1.00 0.00 LB7 ATOM 2348 H6R POPE 1 6.746 -7.660 -6.561 1.00 0.00 LB7 ATOM 2349 H6S POPE 1 5.157 -8.478 -6.452 1.00 0.00 LB7 ATOM 2350 C27 POPE 1 6.670 -9.243 -5.089 1.00 0.00 LB7 ATOM 2351 H7R POPE 1 6.184 -10.233 -4.940 1.00 0.00 LB7 ATOM 2352 H7S POPE 1 7.772 -9.407 -5.115 1.00 0.00 LB7 ATOM 2353 C28 POPE 1 6.301 -8.297 -3.930 1.00 0.00 LB7 ATOM 2354 H8R POPE 1 6.625 -7.283 -4.248 1.00 0.00 LB7 ATOM 2355 H8S POPE 1 5.197 -8.256 -3.818 1.00 0.00 LB7 ATOM 2356 C29 POPE 1 7.000 -8.669 -2.647 1.00 0.00 LB7 ATOM 2357 H91 POPE 1 8.044 -8.995 -2.778 1.00 0.00 LB7 ATOM 2358 C210 POPE 1 6.520 -8.574 -1.390 1.00 0.00 LB7 ATOM 2359 H101 POPE 1 7.160 -8.928 -0.568 1.00 0.00 LB7 ATOM 2360 C211 POPE 1 5.149 -8.114 -0.966 1.00 0.00 LB7 ATOM 2361 H11R POPE 1 4.650 -7.528 -1.769 1.00 0.00 LB7 ATOM 2362 H11S POPE 1 4.523 -9.009 -0.771 1.00 0.00 LB7 ATOM 2363 C212 POPE 1 5.139 -7.279 0.336 1.00 0.00 LB7 ATOM 2364 H12R POPE 1 5.835 -6.419 0.246 1.00 0.00 LB7 ATOM 2365 H12S POPE 1 4.118 -6.855 0.469 1.00 0.00 LB7 ATOM 2366 C213 POPE 1 5.470 -8.087 1.604 1.00 0.00 LB7 ATOM 2367 H13R POPE 1 4.672 -8.848 1.753 1.00 0.00 LB7 ATOM 2368 H13S POPE 1 6.432 -8.629 1.475 1.00 0.00 LB7 ATOM 2369 C214 POPE 1 5.577 -7.228 2.875 1.00 0.00 LB7 ATOM 2370 H14R POPE 1 6.502 -6.613 2.814 1.00 0.00 LB7 ATOM 2371 H14S POPE 1 4.712 -6.529 2.931 1.00 0.00 LB7 ATOM 2372 C215 POPE 1 5.611 -8.084 4.152 1.00 0.00 LB7 ATOM 2373 H15R POPE 1 4.601 -8.529 4.307 1.00 0.00 LB7 ATOM 2374 H15S POPE 1 6.333 -8.919 4.016 1.00 0.00 LB7 ATOM 2375 C216 POPE 1 6.019 -7.297 5.404 1.00 0.00 LB7 ATOM 2376 H16R POPE 1 7.062 -6.936 5.303 1.00 0.00 LB7 ATOM 2377 H16S POPE 1 5.396 -6.391 5.488 1.00 0.00 LB7 ATOM 2378 C217 POPE 1 5.868 -8.095 6.705 1.00 0.00 LB7 ATOM 2379 H17R POPE 1 4.869 -8.590 6.715 1.00 0.00 LB7 ATOM 2380 H17S POPE 1 6.639 -8.897 6.731 1.00 0.00 LB7 ATOM 2381 C218 POPE 1 5.987 -7.213 7.951 1.00 0.00 LB7 ATOM 2382 H18R POPE 1 5.949 -7.825 8.877 1.00 0.00 LB7 ATOM 2383 H18S POPE 1 6.944 -6.650 7.936 1.00 0.00 LB7 ATOM 2384 H18T POPE 1 5.152 -6.479 7.979 1.00 0.00 LB7 ATOM 2385 C33 POPE 1 11.842 -6.895 -14.100 1.00 0.00 LB7 ATOM 2386 H3X POPE 1 12.736 -7.441 -14.479 1.00 0.00 LB7 ATOM 2387 H3Y POPE 1 12.144 -5.834 -13.936 1.00 0.00 LB7 ATOM 2388 C34 POPE 1 11.427 -7.506 -12.749 1.00 0.00 LB7 ATOM 2389 H4X POPE 1 10.359 -7.270 -12.540 1.00 0.00 LB7 ATOM 2390 H4Y POPE 1 11.525 -8.615 -12.801 1.00 0.00 LB7 ATOM 2391 C35 POPE 1 12.272 -6.966 -11.583 1.00 0.00 LB7 ATOM 2392 H5X POPE 1 13.353 -7.030 -11.839 1.00 0.00 LB7 ATOM 2393 H5Y POPE 1 12.028 -5.890 -11.444 1.00 0.00 LB7 ATOM 2394 C36 POPE 1 12.033 -7.715 -10.263 1.00 0.00 LB7 ATOM 2395 H6X POPE 1 10.940 -7.839 -10.097 1.00 0.00 LB7 ATOM 2396 H6Y POPE 1 12.478 -8.733 -10.343 1.00 0.00 LB7 ATOM 2397 C37 POPE 1 12.636 -6.989 -9.049 1.00 0.00 LB7 ATOM 2398 H7X POPE 1 13.718 -6.806 -9.231 1.00 0.00 LB7 ATOM 2399 H7Y POPE 1 12.133 -6.001 -8.939 1.00 0.00 LB7 ATOM 2400 C38 POPE 1 12.477 -7.784 -7.747 1.00 0.00 LB7 ATOM 2401 H8X POPE 1 11.405 -8.058 -7.622 1.00 0.00 LB7 ATOM 2402 H8Y POPE 1 13.064 -8.728 -7.823 1.00 0.00 LB7 ATOM 2403 C39 POPE 1 12.937 -7.010 -6.502 1.00 0.00 LB7 ATOM 2404 H9X POPE 1 14.015 -6.755 -6.597 1.00 0.00 LB7 ATOM 2405 H9Y POPE 1 12.368 -6.057 -6.425 1.00 0.00 LB7 ATOM 2406 C310 POPE 1 12.726 -7.821 -5.219 1.00 0.00 LB7 ATOM 2407 H10X POPE 1 11.665 -8.152 -5.175 1.00 0.00 LB7 ATOM 2408 H10Y POPE 1 13.363 -8.732 -5.259 1.00 0.00 LB7 ATOM 2409 C311 POPE 1 13.039 -7.047 -3.934 1.00 0.00 LB7 ATOM 2410 H11X POPE 1 14.104 -6.726 -3.944 1.00 0.00 LB7 ATOM 2411 H11Y POPE 1 12.413 -6.130 -3.889 1.00 0.00 LB7 ATOM 2412 C312 POPE 1 12.785 -7.906 -2.688 1.00 0.00 LB7 ATOM 2413 H12X POPE 1 11.761 -8.341 -2.729 1.00 0.00 LB7 ATOM 2414 H12Y POPE 1 13.512 -8.748 -2.705 1.00 0.00 LB7 ATOM 2415 C313 POPE 1 12.940 -7.131 -1.377 1.00 0.00 LB7 ATOM 2416 H13X POPE 1 13.833 -6.479 -1.461 1.00 0.00 LB7 ATOM 2417 H13Y POPE 1 12.064 -6.466 -1.238 1.00 0.00 LB7 ATOM 2418 C314 POPE 1 13.076 -8.029 -0.140 1.00 0.00 LB7 ATOM 2419 H14X POPE 1 12.165 -8.658 -0.060 1.00 0.00 LB7 ATOM 2420 H14Y POPE 1 13.948 -8.705 -0.279 1.00 0.00 LB7 ATOM 2421 C315 POPE 1 13.271 -7.236 1.161 1.00 0.00 LB7 ATOM 2422 H15X POPE 1 14.153 -6.579 1.018 1.00 0.00 LB7 ATOM 2423 H15Y POPE 1 12.394 -6.571 1.318 1.00 0.00 LB7 ATOM 2424 C316 POPE 1 13.493 -8.077 2.422 1.00 0.00 LB7 ATOM 2425 H16X POPE 1 13.788 -7.426 3.274 1.00 0.00 LB7 ATOM 2426 H16Y POPE 1 14.296 -8.825 2.252 1.00 0.00 LB7 ATOM 2427 H16Z POPE 1 12.567 -8.620 2.709 1.00 0.00 LB7 ATOM 2428 N POPE 1 9.146 1.505 -20.435 1.00 0.00 LB8 ATOM 2429 HN1 POPE 1 8.997 2.529 -20.635 1.00 0.00 LB8 ATOM 2430 HN2 POPE 1 9.862 1.147 -21.091 1.00 0.00 LB8 ATOM 2431 HN3 POPE 1 8.239 1.011 -20.635 1.00 0.00 LB8 ATOM 2432 C12 POPE 1 9.575 1.299 -19.005 1.00 0.00 LB8 ATOM 2433 H12A POPE 1 8.705 1.519 -18.353 1.00 0.00 LB8 ATOM 2434 H12B POPE 1 10.370 2.046 -18.791 1.00 0.00 LB8 ATOM 2435 C11 POPE 1 10.115 -0.129 -18.761 1.00 0.00 LB8 ATOM 2436 H11A POPE 1 10.919 -0.357 -19.500 1.00 0.00 LB8 ATOM 2437 H11B POPE 1 10.584 -0.119 -17.749 1.00 0.00 LB8 ATOM 2438 P POPE 1 9.370 -2.650 -18.594 1.00 0.00 LB8 ATOM 2439 O13 POPE 1 8.164 -3.327 -18.068 1.00 0.00 LB8 ATOM 2440 O14 POPE 1 9.869 -3.237 -19.864 1.00 0.00 LB8 ATOM 2441 O11 POPE 1 10.506 -2.709 -17.487 1.00 0.00 LB8 ATOM 2442 O12 POPE 1 9.070 -1.105 -18.819 1.00 0.00 LB8 ATOM 2443 C1 POPE 1 10.182 -2.379 -16.124 1.00 0.00 LB8 ATOM 2444 HA POPE 1 9.796 -1.336 -16.043 1.00 0.00 LB8 ATOM 2445 HB POPE 1 9.397 -3.067 -15.731 1.00 0.00 LB8 ATOM 2446 C2 POPE 1 11.420 -2.503 -15.182 1.00 0.00 LB8 ATOM 2447 HS POPE 1 11.770 -3.559 -15.262 1.00 0.00 LB8 ATOM 2448 O21 POPE 1 11.002 -2.214 -13.831 1.00 0.00 LB8 ATOM 2449 C21 POPE 1 11.769 -2.714 -12.858 1.00 0.00 LB8 ATOM 2450 O22 POPE 1 12.684 -3.506 -13.014 1.00 0.00 LB8 ATOM 2451 C22 POPE 1 11.315 -2.144 -11.508 1.00 0.00 LB8 ATOM 2452 H2R POPE 1 11.561 -1.060 -11.501 1.00 0.00 LB8 ATOM 2453 H2S POPE 1 10.212 -2.256 -11.439 1.00 0.00 LB8 ATOM 2454 C3 POPE 1 12.610 -1.581 -15.594 1.00 0.00 LB8 ATOM 2455 HX POPE 1 13.476 -1.740 -14.910 1.00 0.00 LB8 ATOM 2456 HY POPE 1 12.942 -1.906 -16.604 1.00 0.00 LB8 ATOM 2457 O31 POPE 1 12.224 -0.195 -15.676 1.00 0.00 LB8 ATOM 2458 C31 POPE 1 12.386 0.554 -14.588 1.00 0.00 LB8 ATOM 2459 O32 POPE 1 12.940 0.217 -13.557 1.00 0.00 LB8 ATOM 2460 C32 POPE 1 11.686 1.897 -14.827 1.00 0.00 LB8 ATOM 2461 H2X POPE 1 12.036 2.322 -15.790 1.00 0.00 LB8 ATOM 2462 H2Y POPE 1 10.596 1.691 -14.902 1.00 0.00 LB8 ATOM 2463 C23 POPE 1 11.968 -2.811 -10.267 1.00 0.00 LB8 ATOM 2464 H3R POPE 1 11.813 -3.911 -10.297 1.00 0.00 LB8 ATOM 2465 H3S POPE 1 13.063 -2.622 -10.277 1.00 0.00 LB8 ATOM 2466 C24 POPE 1 11.347 -2.244 -8.981 1.00 0.00 LB8 ATOM 2467 H4R POPE 1 11.444 -1.136 -9.015 1.00 0.00 LB8 ATOM 2468 H4S POPE 1 10.260 -2.482 -8.990 1.00 0.00 LB8 ATOM 2469 C25 POPE 1 11.937 -2.721 -7.643 1.00 0.00 LB8 ATOM 2470 H5R POPE 1 12.104 -3.820 -7.657 1.00 0.00 LB8 ATOM 2471 H5S POPE 1 12.920 -2.225 -7.482 1.00 0.00 LB8 ATOM 2472 C26 POPE 1 10.977 -2.361 -6.495 1.00 0.00 LB8 ATOM 2473 H6R POPE 1 10.596 -1.332 -6.675 1.00 0.00 LB8 ATOM 2474 H6S POPE 1 10.098 -3.037 -6.534 1.00 0.00 LB8 ATOM 2475 C27 POPE 1 11.571 -2.373 -5.079 1.00 0.00 LB8 ATOM 2476 H7R POPE 1 11.995 -3.373 -4.841 1.00 0.00 LB8 ATOM 2477 H7S POPE 1 12.402 -1.632 -5.058 1.00 0.00 LB8 ATOM 2478 C28 POPE 1 10.497 -2.009 -4.028 1.00 0.00 LB8 ATOM 2479 H8R POPE 1 9.766 -1.328 -4.506 1.00 0.00 LB8 ATOM 2480 H8S POPE 1 9.928 -2.930 -3.783 1.00 0.00 LB8 ATOM 2481 C29 POPE 1 11.040 -1.329 -2.797 1.00 0.00 LB8 ATOM 2482 H91 POPE 1 11.826 -0.580 -2.979 1.00 0.00 LB8 ATOM 2483 C210 POPE 1 10.576 -1.489 -1.545 1.00 0.00 LB8 ATOM 2484 H101 POPE 1 11.089 -0.983 -0.717 1.00 0.00 LB8 ATOM 2485 C211 POPE 1 9.481 -2.436 -1.152 1.00 0.00 LB8 ATOM 2486 H11R POPE 1 8.719 -2.510 -1.959 1.00 0.00 LB8 ATOM 2487 H11S POPE 1 9.934 -3.441 -1.021 1.00 0.00 LB8 ATOM 2488 C212 POPE 1 8.752 -2.124 0.168 1.00 0.00 LB8 ATOM 2489 H12R POPE 1 8.437 -1.065 0.215 1.00 0.00 LB8 ATOM 2490 H12S POPE 1 7.821 -2.730 0.181 1.00 0.00 LB8 ATOM 2491 C213 POPE 1 9.573 -2.469 1.416 1.00 0.00 LB8 ATOM 2492 H13R POPE 1 9.969 -3.498 1.322 1.00 0.00 LB8 ATOM 2493 H13S POPE 1 10.446 -1.789 1.470 1.00 0.00 LB8 ATOM 2494 C214 POPE 1 8.773 -2.361 2.719 1.00 0.00 LB8 ATOM 2495 H14R POPE 1 8.413 -1.311 2.821 1.00 0.00 LB8 ATOM 2496 H14S POPE 1 7.882 -3.026 2.673 1.00 0.00 LB8 ATOM 2497 C215 POPE 1 9.607 -2.722 3.954 1.00 0.00 LB8 ATOM 2498 H15R POPE 1 9.893 -3.798 3.920 1.00 0.00 LB8 ATOM 2499 H15S POPE 1 10.540 -2.118 3.931 1.00 0.00 LB8 ATOM 2500 C216 POPE 1 8.871 -2.420 5.265 1.00 0.00 LB8 ATOM 2501 H16R POPE 1 8.494 -1.377 5.215 1.00 0.00 LB8 ATOM 2502 H16S POPE 1 7.992 -3.093 5.368 1.00 0.00 LB8 ATOM 2503 C217 POPE 1 9.775 -2.537 6.496 1.00 0.00 LB8 ATOM 2504 H17R POPE 1 10.201 -3.565 6.533 1.00 0.00 LB8 ATOM 2505 H17S POPE 1 10.625 -1.827 6.377 1.00 0.00 LB8 ATOM 2506 C218 POPE 1 9.052 -2.236 7.812 1.00 0.00 LB8 ATOM 2507 H18R POPE 1 9.752 -2.327 8.671 1.00 0.00 LB8 ATOM 2508 H18S POPE 1 8.638 -1.204 7.806 1.00 0.00 LB8 ATOM 2509 H18T POPE 1 8.212 -2.950 7.962 1.00 0.00 LB8 ATOM 2510 C33 POPE 1 11.929 2.918 -13.695 1.00 0.00 LB8 ATOM 2511 H3X POPE 1 11.263 3.795 -13.868 1.00 0.00 LB8 ATOM 2512 H3Y POPE 1 11.638 2.463 -12.722 1.00 0.00 LB8 ATOM 2513 C34 POPE 1 13.376 3.430 -13.630 1.00 0.00 LB8 ATOM 2514 H4X POPE 1 14.068 2.574 -13.447 1.00 0.00 LB8 ATOM 2515 H4Y POPE 1 13.655 3.877 -14.610 1.00 0.00 LB8 ATOM 2516 C35 POPE 1 13.600 4.471 -12.518 1.00 0.00 LB8 ATOM 2517 H5X POPE 1 14.657 4.815 -12.570 1.00 0.00 LB8 ATOM 2518 H5Y POPE 1 12.952 5.360 -12.689 1.00 0.00 LB8 ATOM 2519 C36 POPE 1 13.329 3.884 -11.127 1.00 0.00 LB8 ATOM 2520 H6X POPE 1 12.232 3.785 -10.978 1.00 0.00 LB8 ATOM 2521 H6Y POPE 1 13.769 2.859 -11.092 1.00 0.00 LB8 ATOM 2522 C37 POPE 1 13.921 4.682 -9.958 1.00 0.00 LB8 ATOM 2523 H7X POPE 1 15.030 4.676 -10.053 1.00 0.00 LB8 ATOM 2524 H7Y POPE 1 13.582 5.739 -9.993 1.00 0.00 LB8 ATOM 2525 C38 POPE 1 13.502 4.034 -8.632 1.00 0.00 LB8 ATOM 2526 H8X POPE 1 12.423 4.238 -8.452 1.00 0.00 LB8 ATOM 2527 H8Y POPE 1 13.617 2.931 -8.746 1.00 0.00 LB8 ATOM 2528 C39 POPE 1 14.322 4.461 -7.411 1.00 0.00 LB8 ATOM 2529 H9X POPE 1 15.392 4.230 -7.613 1.00 0.00 LB8 ATOM 2530 H9Y POPE 1 14.227 5.557 -7.255 1.00 0.00 LB8 ATOM 2531 C310 POPE 1 13.861 3.704 -6.156 1.00 0.00 LB8 ATOM 2532 H10X POPE 1 12.948 4.184 -5.742 1.00 0.00 LB8 ATOM 2533 H10Y POPE 1 13.586 2.672 -6.470 1.00 0.00 LB8 ATOM 2534 C311 POPE 1 14.927 3.546 -5.069 1.00 0.00 LB8 ATOM 2535 H11X POPE 1 15.813 3.054 -5.523 1.00 0.00 LB8 ATOM 2536 H11Y POPE 1 15.254 4.540 -4.700 1.00 0.00 LB8 ATOM 2537 C312 POPE 1 14.456 2.676 -3.892 1.00 0.00 LB8 ATOM 2538 H12X POPE 1 13.899 1.792 -4.274 1.00 0.00 LB8 ATOM 2539 H12Y POPE 1 15.359 2.297 -3.362 1.00 0.00 LB8 ATOM 2540 C313 POPE 1 13.597 3.439 -2.876 1.00 0.00 LB8 ATOM 2541 H13X POPE 1 14.107 4.404 -2.651 1.00 0.00 LB8 ATOM 2542 H13Y POPE 1 12.606 3.688 -3.312 1.00 0.00 LB8 ATOM 2543 C314 POPE 1 13.408 2.675 -1.555 1.00 0.00 LB8 ATOM 2544 H14X POPE 1 12.627 1.901 -1.679 1.00 0.00 LB8 ATOM 2545 H14Y POPE 1 14.349 2.146 -1.292 1.00 0.00 LB8 ATOM 2546 C315 POPE 1 13.065 3.632 -0.408 1.00 0.00 LB8 ATOM 2547 H15X POPE 1 13.920 4.334 -0.308 1.00 0.00 LB8 ATOM 2548 H15Y POPE 1 12.177 4.232 -0.695 1.00 0.00 LB8 ATOM 2549 C316 POPE 1 12.820 3.003 0.962 1.00 0.00 LB8 ATOM 2550 H16X POPE 1 13.028 1.913 0.949 1.00 0.00 LB8 ATOM 2551 H16Y POPE 1 11.770 3.170 1.277 1.00 0.00 LB8 ATOM 2552 H16Z POPE 1 13.471 3.470 1.731 1.00 0.00 LB8 ATOM 2553 OH2 TIP3 21 -13.884 -3.221 -25.194 1.00 0.00 WT1 ATOM 2554 H1 TIP3 21 -13.077 -2.711 -25.437 1.00 0.00 WT1 ATOM 2555 H2 TIP3 21 -13.576 -3.755 -24.433 1.00 0.00 WT1 ATOM 2556 OH2 TIP3 41 -12.880 -9.348 25.460 1.00 0.00 WT1 ATOM 2557 H1 TIP3 41 -12.576 -9.540 24.542 1.00 0.00 WT1 ATOM 2558 H2 TIP3 41 -13.160 -8.410 25.376 1.00 0.00 WT1 ATOM 2559 OH2 TIP3 47 -1.723 -3.453 -31.341 1.00 0.00 WT1 ATOM 2560 H1 TIP3 47 -2.449 -3.696 -31.948 1.00 0.00 WT1 ATOM 2561 H2 TIP3 47 -1.138 -2.918 -31.918 1.00 0.00 WT1 ATOM 2562 OH2 TIP3 64 -9.099 -8.494 -30.968 1.00 0.00 WT1 ATOM 2563 H1 TIP3 64 -8.690 -8.738 -30.113 1.00 0.00 WT1 ATOM 2564 H2 TIP3 64 -9.608 -9.304 -31.176 1.00 0.00 WT1 ATOM 2565 OH2 TIP3 81 -14.342 1.751 22.849 1.00 0.00 WT1 ATOM 2566 H1 TIP3 81 -14.805 1.100 22.312 1.00 0.00 WT1 ATOM 2567 H2 TIP3 81 -14.752 2.597 22.559 1.00 0.00 WT1 ATOM 2568 OH2 TIP3 86 -5.421 11.102 -26.832 1.00 0.00 WT1 ATOM 2569 H1 TIP3 86 -5.867 10.687 -26.060 1.00 0.00 WT1 ATOM 2570 H2 TIP3 86 -4.486 10.821 -26.699 1.00 0.00 WT1 ATOM 2571 OH2 TIP3 88 -13.432 0.864 -25.078 1.00 0.00 WT1 ATOM 2572 H1 TIP3 88 -12.818 1.227 -24.410 1.00 0.00 WT1 ATOM 2573 H2 TIP3 88 -13.002 1.133 -25.909 1.00 0.00 WT1 ATOM 2574 OH2 TIP3 90 -4.726 1.500 -23.336 1.00 0.00 WT1 ATOM 2575 H1 TIP3 90 -5.495 1.482 -22.752 1.00 0.00 WT1 ATOM 2576 H2 TIP3 90 -5.086 1.789 -24.186 1.00 0.00 WT1 ATOM 2577 OH2 TIP3 104 -9.663 7.996 19.950 1.00 0.00 WT1 ATOM 2578 H1 TIP3 104 -9.736 7.083 19.589 1.00 0.00 WT1 ATOM 2579 H2 TIP3 104 -10.290 8.503 19.401 1.00 0.00 WT1 ATOM 2580 OH2 TIP3 105 -13.470 0.443 28.711 1.00 0.00 WT1 ATOM 2581 H1 TIP3 105 -13.782 1.306 28.352 1.00 0.00 WT1 ATOM 2582 H2 TIP3 105 -14.203 -0.165 28.473 1.00 0.00 WT1 ATOM 2583 OH2 TIP3 108 -13.501 4.091 -24.393 1.00 0.00 WT1 ATOM 2584 H1 TIP3 108 -14.306 3.971 -24.923 1.00 0.00 WT1 ATOM 2585 H2 TIP3 108 -12.942 4.661 -24.965 1.00 0.00 WT1 ATOM 2586 OH2 TIP3 112 -9.975 6.961 -24.033 1.00 0.00 WT1 ATOM 2587 H1 TIP3 112 -10.196 6.907 -23.085 1.00 0.00 WT1 ATOM 2588 H2 TIP3 112 -9.862 7.929 -24.162 1.00 0.00 WT1 ATOM 2589 OH2 TIP3 113 -14.854 5.089 -20.604 1.00 0.00 WT1 ATOM 2590 H1 TIP3 113 -14.245 5.527 -21.230 1.00 0.00 WT1 ATOM 2591 H2 TIP3 113 -14.248 4.790 -19.887 1.00 0.00 WT1 ATOM 2592 OH2 TIP3 126 -5.842 -5.534 26.052 1.00 0.00 WT1 ATOM 2593 H1 TIP3 126 -4.977 -5.281 25.662 1.00 0.00 WT1 ATOM 2594 H2 TIP3 126 -6.425 -4.828 25.739 1.00 0.00 WT1 ATOM 2595 OH2 TIP3 127 -5.397 -2.327 27.381 1.00 0.00 WT1 ATOM 2596 H1 TIP3 127 -4.855 -1.993 26.638 1.00 0.00 WT1 ATOM 2597 H2 TIP3 127 -6.295 -2.395 26.990 1.00 0.00 WT1 ATOM 2598 OH2 TIP3 141 -10.016 -6.877 28.473 1.00 0.00 WT1 ATOM 2599 H1 TIP3 141 -9.180 -7.287 28.789 1.00 0.00 WT1 ATOM 2600 H2 TIP3 141 -10.697 -7.440 28.893 1.00 0.00 WT1 ATOM 2601 OH2 TIP3 147 -11.136 -2.163 24.745 1.00 0.00 WT1 ATOM 2602 H1 TIP3 147 -12.093 -2.261 24.582 1.00 0.00 WT1 ATOM 2603 H2 TIP3 147 -11.121 -1.649 25.574 1.00 0.00 WT1 ATOM 2604 OH2 TIP3 150 -14.577 -2.021 -29.823 1.00 0.00 WT1 ATOM 2605 H1 TIP3 150 -14.964 -2.267 -30.695 1.00 0.00 WT1 ATOM 2606 H2 TIP3 150 -14.335 -1.080 -29.953 1.00 0.00 WT1 ATOM 2607 OH2 TIP3 152 -10.275 -6.009 -31.245 1.00 0.00 WT1 ATOM 2608 H1 TIP3 152 -11.112 -6.196 -31.725 1.00 0.00 WT1 ATOM 2609 H2 TIP3 152 -9.893 -6.909 -31.133 1.00 0.00 WT1 ATOM 2610 OH2 TIP3 169 -10.612 7.737 22.578 1.00 0.00 WT1 ATOM 2611 H1 TIP3 169 -10.229 8.603 22.850 1.00 0.00 WT1 ATOM 2612 H2 TIP3 169 -10.356 7.716 21.634 1.00 0.00 WT1 ATOM 2613 OH2 TIP3 172 -5.273 12.923 27.696 1.00 0.00 WT1 ATOM 2614 H1 TIP3 172 -5.354 13.899 27.748 1.00 0.00 WT1 ATOM 2615 H2 TIP3 172 -4.583 12.732 28.362 1.00 0.00 WT1 ATOM 2616 OH2 TIP3 200 -7.981 -2.824 26.531 1.00 0.00 WT1 ATOM 2617 H1 TIP3 200 -8.520 -2.283 27.146 1.00 0.00 WT1 ATOM 2618 H2 TIP3 200 -8.453 -3.682 26.529 1.00 0.00 WT1 ATOM 2619 OH2 TIP3 210 -6.747 8.141 28.364 1.00 0.00 WT1 ATOM 2620 H1 TIP3 210 -7.349 7.863 29.083 1.00 0.00 WT1 ATOM 2621 H2 TIP3 210 -6.675 9.107 28.515 1.00 0.00 WT1 ATOM 2622 OH2 TIP3 212 -9.705 10.760 -18.100 1.00 0.00 WT1 ATOM 2623 H1 TIP3 212 -8.978 11.363 -17.900 1.00 0.00 WT1 ATOM 2624 H2 TIP3 212 -10.032 10.478 -17.226 1.00 0.00 WT1 ATOM 2625 OH2 TIP3 239 -5.740 -1.363 -18.623 1.00 0.00 WT1 ATOM 2626 H1 TIP3 239 -6.158 -2.016 -18.048 1.00 0.00 WT1 ATOM 2627 H2 TIP3 239 -4.912 -1.140 -18.148 1.00 0.00 WT1 ATOM 2628 OH2 TIP3 379 -13.848 -2.412 24.797 1.00 0.00 WT1 ATOM 2629 H1 TIP3 379 -13.858 -2.762 25.709 1.00 0.00 WT1 ATOM 2630 H2 TIP3 379 -14.119 -3.197 24.274 1.00 0.00 WT1 ATOM 2631 OH2 TIP3 443 -9.042 -6.243 -25.764 1.00 0.00 WT1 ATOM 2632 H1 TIP3 443 -9.382 -6.878 -26.434 1.00 0.00 WT1 ATOM 2633 H2 TIP3 443 -9.265 -6.698 -24.932 1.00 0.00 WT1 ATOM 2634 OH2 TIP3 463 -13.416 -3.018 27.492 1.00 0.00 WT1 ATOM 2635 H1 TIP3 463 -12.725 -2.329 27.390 1.00 0.00 WT1 ATOM 2636 H2 TIP3 463 -14.203 -2.500 27.761 1.00 0.00 WT1 ATOM 2637 OH2 TIP3 466 -10.155 -8.103 -27.412 1.00 0.00 WT1 ATOM 2638 H1 TIP3 466 -10.836 -7.820 -28.072 1.00 0.00 WT1 ATOM 2639 H2 TIP3 466 -10.552 -8.894 -27.029 1.00 0.00 WT1 ATOM 2640 OH2 TIP3 469 -9.802 -8.018 -23.579 1.00 0.00 WT1 ATOM 2641 H1 TIP3 469 -10.672 -8.299 -23.226 1.00 0.00 WT1 ATOM 2642 H2 TIP3 469 -9.518 -7.340 -22.929 1.00 0.00 WT1 ATOM 2643 OH2 TIP3 487 -1.424 -2.456 24.875 1.00 0.00 WT1 ATOM 2644 H1 TIP3 487 -0.913 -3.302 24.914 1.00 0.00 WT1 ATOM 2645 H2 TIP3 487 -1.487 -2.305 23.900 1.00 0.00 WT1 ATOM 2646 OH2 TIP3 497 1.667 -0.833 17.378 1.00 0.00 WT1 ATOM 2647 H1 TIP3 497 1.477 0.011 17.814 1.00 0.00 WT1 ATOM 2648 H2 TIP3 497 0.784 -1.109 17.061 1.00 0.00 WT1 ATOM 2649 OH2 TIP3 508 12.502 -5.861 -30.189 1.00 0.00 WT1 ATOM 2650 H1 TIP3 508 12.364 -4.901 -30.039 1.00 0.00 WT1 ATOM 2651 H2 TIP3 508 13.418 -5.894 -30.525 1.00 0.00 WT1 ATOM 2652 OH2 TIP3 512 1.169 -4.479 -24.792 1.00 0.00 WT1 ATOM 2653 H1 TIP3 512 1.182 -4.331 -25.765 1.00 0.00 WT1 ATOM 2654 H2 TIP3 512 0.215 -4.562 -24.589 1.00 0.00 WT1 ATOM 2655 OH2 TIP3 523 -8.213 1.533 25.633 1.00 0.00 WT1 ATOM 2656 H1 TIP3 523 -7.944 2.476 25.688 1.00 0.00 WT1 ATOM 2657 H2 TIP3 523 -9.189 1.592 25.507 1.00 0.00 WT1 ATOM 2658 OH2 TIP3 524 -7.311 0.717 28.122 1.00 0.00 WT1 ATOM 2659 H1 TIP3 524 -7.756 1.038 27.308 1.00 0.00 WT1 ATOM 2660 H2 TIP3 524 -6.366 0.717 27.852 1.00 0.00 WT1 ATOM 2661 OH2 TIP3 527 -8.955 -5.422 26.385 1.00 0.00 WT1 ATOM 2662 H1 TIP3 527 -8.298 -6.091 26.156 1.00 0.00 WT1 ATOM 2663 H2 TIP3 527 -9.435 -5.842 27.134 1.00 0.00 WT1 ATOM 2664 OH2 TIP3 529 -9.671 8.923 -31.246 1.00 0.00 WT1 ATOM 2665 H1 TIP3 529 -9.286 8.347 -30.552 1.00 0.00 WT1 ATOM 2666 H2 TIP3 529 -9.479 9.813 -30.928 1.00 0.00 WT1 ATOM 2667 OH2 TIP3 535 4.479 -0.045 -20.064 1.00 0.00 WT1 ATOM 2668 H1 TIP3 535 3.845 -0.740 -20.339 1.00 0.00 WT1 ATOM 2669 H2 TIP3 535 4.156 0.191 -19.170 1.00 0.00 WT1 ATOM 2670 OH2 TIP3 543 -15.010 -6.136 -31.428 1.00 0.00 WT1 ATOM 2671 H1 TIP3 543 -14.253 -6.329 -32.022 1.00 0.00 WT1 ATOM 2672 H2 TIP3 543 -14.591 -5.540 -30.768 1.00 0.00 WT1 ATOM 2673 OH2 TIP3 551 -13.177 6.138 -22.517 1.00 0.00 WT1 ATOM 2674 H1 TIP3 551 -13.766 6.760 -22.997 1.00 0.00 WT1 ATOM 2675 H2 TIP3 551 -13.210 5.343 -23.089 1.00 0.00 WT1 ATOM 2676 OH2 TIP3 554 -14.567 -5.235 -26.944 1.00 0.00 WT1 ATOM 2677 H1 TIP3 554 -14.655 -6.049 -26.439 1.00 0.00 WT1 ATOM 2678 H2 TIP3 554 -14.356 -4.562 -26.264 1.00 0.00 WT1 ATOM 2679 OH2 TIP3 571 -14.077 -6.939 25.104 1.00 0.00 WT1 ATOM 2680 H1 TIP3 571 -14.094 -6.133 24.551 1.00 0.00 WT1 ATOM 2681 H2 TIP3 571 -14.877 -7.430 24.805 1.00 0.00 WT1 ATOM 2682 OH2 TIP3 590 5.279 11.815 23.048 1.00 0.00 WT1 ATOM 2683 H1 TIP3 590 5.679 12.683 22.885 1.00 0.00 WT1 ATOM 2684 H2 TIP3 590 4.834 11.919 23.911 1.00 0.00 WT1 ATOM 2685 OH2 TIP3 603 -5.258 5.279 24.660 1.00 0.00 WT1 ATOM 2686 H1 TIP3 603 -6.052 4.809 24.996 1.00 0.00 WT1 ATOM 2687 H2 TIP3 603 -4.524 4.757 25.048 1.00 0.00 WT1 ATOM 2688 OH2 TIP3 604 -6.245 0.337 24.081 1.00 0.00 WT1 ATOM 2689 H1 TIP3 604 -6.989 0.698 24.615 1.00 0.00 WT1 ATOM 2690 H2 TIP3 604 -5.460 0.760 24.484 1.00 0.00 WT1 ATOM 2691 OH2 TIP3 609 -11.288 5.874 27.961 1.00 0.00 WT1 ATOM 2692 H1 TIP3 609 -11.588 5.975 28.873 1.00 0.00 WT1 ATOM 2693 H2 TIP3 609 -12.084 5.551 27.494 1.00 0.00 WT1 ATOM 2694 OH2 TIP3 630 -6.685 11.150 23.299 1.00 0.00 WT1 ATOM 2695 H1 TIP3 630 -6.153 11.724 23.890 1.00 0.00 WT1 ATOM 2696 H2 TIP3 630 -6.378 10.253 23.555 1.00 0.00 WT1 ATOM 2697 OH2 TIP3 632 -10.799 4.604 -27.942 1.00 0.00 WT1 ATOM 2698 H1 TIP3 632 -9.843 4.824 -27.900 1.00 0.00 WT1 ATOM 2699 H2 TIP3 632 -11.220 5.438 -28.255 1.00 0.00 WT1 ATOM 2700 OH2 TIP3 634 -7.975 -4.562 -30.217 1.00 0.00 WT1 ATOM 2701 H1 TIP3 634 -8.875 -4.902 -30.351 1.00 0.00 WT1 ATOM 2702 H2 TIP3 634 -7.433 -5.324 -30.509 1.00 0.00 WT1 ATOM 2703 OH2 TIP3 640 3.463 3.028 -18.727 1.00 0.00 WT1 ATOM 2704 H1 TIP3 640 3.338 3.816 -18.166 1.00 0.00 WT1 ATOM 2705 H2 TIP3 640 3.433 2.283 -18.101 1.00 0.00 WT1 ATOM 2706 OH2 TIP3 651 -4.634 6.694 27.154 1.00 0.00 WT1 ATOM 2707 H1 TIP3 651 -5.356 7.198 27.588 1.00 0.00 WT1 ATOM 2708 H2 TIP3 651 -5.064 6.334 26.360 1.00 0.00 WT1 ATOM 2709 OH2 TIP3 659 -3.398 -0.853 -17.110 1.00 0.00 WT1 ATOM 2710 H1 TIP3 659 -2.516 -1.172 -17.368 1.00 0.00 WT1 ATOM 2711 H2 TIP3 659 -3.306 -0.667 -16.168 1.00 0.00 WT1 ATOM 2712 OH2 TIP3 668 -15.114 6.228 16.906 1.00 0.00 WT1 ATOM 2713 H1 TIP3 668 -14.581 6.651 17.610 1.00 0.00 WT1 ATOM 2714 H2 TIP3 668 -14.782 6.639 16.104 1.00 0.00 WT1 ATOM 2715 OH2 TIP3 676 3.925 13.604 -23.393 1.00 0.00 WT1 ATOM 2716 H1 TIP3 676 3.799 14.004 -22.505 1.00 0.00 WT1 ATOM 2717 H2 TIP3 676 4.633 14.141 -23.774 1.00 0.00 WT1 ATOM 2718 OH2 TIP3 855 -11.604 -1.006 27.202 1.00 0.00 WT1 ATOM 2719 H1 TIP3 855 -12.093 -0.293 27.653 1.00 0.00 WT1 ATOM 2720 H2 TIP3 855 -10.728 -1.003 27.648 1.00 0.00 WT1 ATOM 2721 OH2 TIP3 867 -6.622 -9.895 -21.679 1.00 0.00 WT1 ATOM 2722 H1 TIP3 867 -6.163 -10.742 -21.554 1.00 0.00 WT1 ATOM 2723 H2 TIP3 867 -7.087 -10.019 -22.523 1.00 0.00 WT1 ATOM 2724 OH2 TIP3 886 -4.696 -3.900 22.658 1.00 0.00 WT1 ATOM 2725 H1 TIP3 886 -4.489 -3.151 22.061 1.00 0.00 WT1 ATOM 2726 H2 TIP3 886 -5.411 -3.517 23.216 1.00 0.00 WT1 ATOM 2727 OH2 TIP3 891 -7.006 0.411 -25.764 1.00 0.00 WT1 ATOM 2728 H1 TIP3 891 -6.310 1.044 -26.030 1.00 0.00 WT1 ATOM 2729 H2 TIP3 891 -6.511 -0.429 -25.681 1.00 0.00 WT1 ATOM 2730 OH2 TIP3 907 -1.143 -13.391 -31.008 1.00 0.00 WT1 ATOM 2731 H1 TIP3 907 -1.424 -12.482 -31.249 1.00 0.00 WT1 ATOM 2732 H2 TIP3 907 -1.743 -13.938 -31.539 1.00 0.00 WT1 ATOM 2733 OH2 TIP3 927 -7.979 -9.241 -28.580 1.00 0.00 WT1 ATOM 2734 H1 TIP3 927 -8.629 -8.677 -28.112 1.00 0.00 WT1 ATOM 2735 H2 TIP3 927 -8.092 -10.099 -28.110 1.00 0.00 WT1 ATOM 2736 OH2 TIP3 950 -2.361 1.402 -20.318 1.00 0.00 WT1 ATOM 2737 H1 TIP3 950 -2.410 0.554 -20.798 1.00 0.00 WT1 ATOM 2738 H2 TIP3 950 -1.414 1.469 -20.085 1.00 0.00 WT1 ATOM 2739 OH2 TIP3 951 -9.193 -5.865 -21.999 1.00 0.00 WT1 ATOM 2740 H1 TIP3 951 -9.138 -5.709 -21.031 1.00 0.00 WT1 ATOM 2741 H2 TIP3 951 -9.964 -5.329 -22.236 1.00 0.00 WT1 ATOM 2742 OH2 TIP3 952 -3.241 -2.208 -24.239 1.00 0.00 WT1 ATOM 2743 H1 TIP3 952 -2.493 -1.804 -24.741 1.00 0.00 WT1 ATOM 2744 H2 TIP3 952 -3.995 -2.073 -24.851 1.00 0.00 WT1 ATOM 2745 OH2 TIP3 970 -5.338 7.572 -30.198 1.00 0.00 WT1 ATOM 2746 H1 TIP3 970 -5.361 7.148 -29.321 1.00 0.00 WT1 ATOM 2747 H2 TIP3 970 -5.250 8.519 -29.965 1.00 0.00 WT1 ATOM 2748 OH2 TIP3 972 -4.467 -8.342 -27.056 1.00 0.00 WT1 ATOM 2749 H1 TIP3 972 -3.576 -8.719 -27.197 1.00 0.00 WT1 ATOM 2750 H2 TIP3 972 -4.318 -7.368 -27.112 1.00 0.00 WT1 ATOM 2751 OH2 TIP3 992 2.197 -15.150 -20.949 1.00 0.00 WT1 ATOM 2752 H1 TIP3 992 1.246 -15.175 -20.718 1.00 0.00 WT1 ATOM 2753 H2 TIP3 992 2.194 -15.028 -21.914 1.00 0.00 WT1 ATOM 2754 OH2 TIP3 1006 -9.135 5.550 23.547 1.00 0.00 WT1 ATOM 2755 H1 TIP3 1006 -9.648 6.316 23.252 1.00 0.00 WT1 ATOM 2756 H2 TIP3 1006 -9.126 5.642 24.517 1.00 0.00 WT1 ATOM 2757 OH2 TIP3 1008 -2.665 -5.656 27.448 1.00 0.00 WT1 ATOM 2758 H1 TIP3 1008 -1.836 -5.198 27.662 1.00 0.00 WT1 ATOM 2759 H2 TIP3 1008 -2.910 -5.285 26.577 1.00 0.00 WT1 ATOM 2760 OH2 TIP3 1009 0.560 2.125 22.386 1.00 0.00 WT1 ATOM 2761 H1 TIP3 1009 0.588 2.615 23.236 1.00 0.00 WT1 ATOM 2762 H2 TIP3 1009 -0.157 2.581 21.906 1.00 0.00 WT1 ATOM 2763 OH2 TIP3 1011 -14.006 0.658 -30.099 1.00 0.00 WT1 ATOM 2764 H1 TIP3 1011 -14.233 1.291 -29.389 1.00 0.00 WT1 ATOM 2765 H2 TIP3 1011 -13.037 0.790 -30.198 1.00 0.00 WT1 ATOM 2766 OH2 TIP3 1026 -1.507 3.890 21.372 1.00 0.00 WT1 ATOM 2767 H1 TIP3 1026 -1.523 4.525 20.627 1.00 0.00 WT1 ATOM 2768 H2 TIP3 1026 -1.592 4.471 22.160 1.00 0.00 WT1 ATOM 2769 OH2 TIP3 1030 -3.805 1.550 24.641 1.00 0.00 WT1 ATOM 2770 H1 TIP3 1030 -3.328 1.852 23.859 1.00 0.00 WT1 ATOM 2771 H2 TIP3 1030 -3.744 2.324 25.246 1.00 0.00 WT1 ATOM 2772 OH2 TIP3 1040 -10.803 6.826 -21.365 1.00 0.00 WT1 ATOM 2773 H1 TIP3 1040 -10.862 7.700 -20.902 1.00 0.00 WT1 ATOM 2774 H2 TIP3 1040 -11.728 6.698 -21.684 1.00 0.00 WT1 ATOM 2775 OH2 TIP3 1047 -12.703 3.633 24.158 1.00 0.00 WT1 ATOM 2776 H1 TIP3 1047 -12.646 4.366 23.511 1.00 0.00 WT1 ATOM 2777 H2 TIP3 1047 -13.207 2.950 23.675 1.00 0.00 WT1 ATOM 2778 OH2 TIP3 1050 10.519 9.118 26.359 1.00 0.00 WT1 ATOM 2779 H1 TIP3 1050 10.297 8.256 25.953 1.00 0.00 WT1 ATOM 2780 H2 TIP3 1050 10.116 9.050 27.250 1.00 0.00 WT1 ATOM 2781 OH2 TIP3 1058 2.394 -15.298 -23.747 1.00 0.00 WT1 ATOM 2782 H1 TIP3 1058 2.451 -15.109 -24.703 1.00 0.00 WT1 ATOM 2783 H2 TIP3 1058 3.263 -15.706 -23.576 1.00 0.00 WT1 ATOM 2784 OH2 TIP3 1059 -5.280 7.067 -27.432 1.00 0.00 WT1 ATOM 2785 H1 TIP3 1059 -6.134 7.512 -27.229 1.00 0.00 WT1 ATOM 2786 H2 TIP3 1059 -4.920 6.893 -26.539 1.00 0.00 WT1 ATOM 2787 OH2 TIP3 1068 -9.269 10.108 22.693 1.00 0.00 WT1 ATOM 2788 H1 TIP3 1068 -9.636 10.899 22.272 1.00 0.00 WT1 ATOM 2789 H2 TIP3 1068 -8.495 10.455 23.168 1.00 0.00 WT1 ATOM 2790 OH2 TIP3 1096 0.526 11.317 -30.011 1.00 0.00 WT1 ATOM 2791 H1 TIP3 1096 1.061 12.101 -29.772 1.00 0.00 WT1 ATOM 2792 H2 TIP3 1096 0.835 10.652 -29.376 1.00 0.00 WT1 ATOM 2793 OH2 TIP3 1112 -12.312 7.926 -31.211 1.00 0.00 WT1 ATOM 2794 H1 TIP3 1112 -11.449 8.380 -31.297 1.00 0.00 WT1 ATOM 2795 H2 TIP3 1112 -12.260 7.235 -31.904 1.00 0.00 WT1 ATOM 2796 OH2 TIP3 1115 1.663 -0.202 -29.606 1.00 0.00 WT1 ATOM 2797 H1 TIP3 1115 1.300 -1.098 -29.748 1.00 0.00 WT1 ATOM 2798 H2 TIP3 1115 2.621 -0.356 -29.494 1.00 0.00 WT1 ATOM 2799 OH2 TIP3 1253 -14.265 -4.990 20.875 1.00 0.00 WT1 ATOM 2800 H1 TIP3 1253 -13.675 -4.372 20.434 1.00 0.00 WT1 ATOM 2801 H2 TIP3 1253 -14.131 -5.819 20.377 1.00 0.00 WT1 ATOM 2802 OH2 TIP3 1307 -2.078 -9.430 -24.975 1.00 0.00 WT1 ATOM 2803 H1 TIP3 1307 -1.913 -8.486 -25.132 1.00 0.00 WT1 ATOM 2804 H2 TIP3 1307 -2.133 -9.778 -25.893 1.00 0.00 WT1 ATOM 2805 OH2 TIP3 1308 -10.486 4.036 -21.753 1.00 0.00 WT1 ATOM 2806 H1 TIP3 1308 -10.731 4.974 -21.714 1.00 0.00 WT1 ATOM 2807 H2 TIP3 1308 -10.476 3.775 -20.806 1.00 0.00 WT1 ATOM 2808 OH2 TIP3 1321 -3.828 3.591 17.791 1.00 0.00 WT1 ATOM 2809 H1 TIP3 1321 -4.617 3.018 17.796 1.00 0.00 WT1 ATOM 2810 H2 TIP3 1321 -4.094 4.335 18.341 1.00 0.00 WT1 ATOM 2811 OH2 TIP3 1327 -4.217 -13.211 -28.402 1.00 0.00 WT1 ATOM 2812 H1 TIP3 1327 -3.266 -13.293 -28.192 1.00 0.00 WT1 ATOM 2813 H2 TIP3 1327 -4.601 -14.024 -28.019 1.00 0.00 WT1 ATOM 2814 OH2 TIP3 1329 0.996 -11.658 -27.267 1.00 0.00 WT1 ATOM 2815 H1 TIP3 1329 1.516 -12.010 -28.020 1.00 0.00 WT1 ATOM 2816 H2 TIP3 1329 0.826 -10.735 -27.540 1.00 0.00 WT1 ATOM 2817 OH2 TIP3 1344 -10.728 3.570 -30.489 1.00 0.00 WT1 ATOM 2818 H1 TIP3 1344 -10.769 3.915 -29.579 1.00 0.00 WT1 ATOM 2819 H2 TIP3 1344 -10.275 4.276 -30.979 1.00 0.00 WT1 ATOM 2820 OH2 TIP3 1347 5.568 -11.623 -30.614 1.00 0.00 WT1 ATOM 2821 H1 TIP3 1347 5.850 -11.545 -31.549 1.00 0.00 WT1 ATOM 2822 H2 TIP3 1347 4.737 -11.112 -30.605 1.00 0.00 WT1 ATOM 2823 OH2 TIP3 1348 -5.405 -12.125 25.063 1.00 0.00 WT1 ATOM 2824 H1 TIP3 1348 -5.565 -11.944 24.117 1.00 0.00 WT1 ATOM 2825 H2 TIP3 1348 -5.752 -13.036 25.192 1.00 0.00 WT1 ATOM 2826 OH2 TIP3 1349 -6.323 -6.213 -23.947 1.00 0.00 WT1 ATOM 2827 H1 TIP3 1349 -6.249 -5.559 -24.663 1.00 0.00 WT1 ATOM 2828 H2 TIP3 1349 -7.099 -5.908 -23.451 1.00 0.00 WT1 ATOM 2829 OH2 TIP3 1367 -8.450 -1.768 -30.286 1.00 0.00 WT1 ATOM 2830 H1 TIP3 1367 -9.186 -1.604 -29.655 1.00 0.00 WT1 ATOM 2831 H2 TIP3 1367 -8.370 -2.747 -30.284 1.00 0.00 WT1 ATOM 2832 OH2 TIP3 1369 9.001 -5.891 23.658 1.00 0.00 WT1 ATOM 2833 H1 TIP3 1369 9.703 -6.518 23.400 1.00 0.00 WT1 ATOM 2834 H2 TIP3 1369 9.490 -5.056 23.825 1.00 0.00 WT1 ATOM 2835 OH2 TIP3 1371 -6.922 -4.548 -26.348 1.00 0.00 WT1 ATOM 2836 H1 TIP3 1371 -7.507 -3.940 -26.835 1.00 0.00 WT1 ATOM 2837 H2 TIP3 1371 -7.541 -5.280 -26.141 1.00 0.00 WT1 ATOM 2838 OH2 TIP3 1374 -13.399 -4.972 -23.144 1.00 0.00 WT1 ATOM 2839 H1 TIP3 1374 -12.693 -4.876 -22.466 1.00 0.00 WT1 ATOM 2840 H2 TIP3 1374 -14.200 -4.672 -22.667 1.00 0.00 WT1 ATOM 2841 OH2 TIP3 1381 -13.882 0.412 25.286 1.00 0.00 WT1 ATOM 2842 H1 TIP3 1381 -13.817 -0.532 25.039 1.00 0.00 WT1 ATOM 2843 H2 TIP3 1381 -13.967 0.866 24.427 1.00 0.00 WT1 ATOM 2844 OH2 TIP3 1384 3.388 -9.408 24.369 1.00 0.00 WT1 ATOM 2845 H1 TIP3 1384 2.864 -10.163 24.717 1.00 0.00 WT1 ATOM 2846 H2 TIP3 1384 2.740 -8.696 24.370 1.00 0.00 WT1 ATOM 2847 OH2 TIP3 1388 -3.583 -5.554 -18.023 1.00 0.00 WT1 ATOM 2848 H1 TIP3 1388 -3.400 -6.478 -17.720 1.00 0.00 WT1 ATOM 2849 H2 TIP3 1388 -4.465 -5.382 -17.681 1.00 0.00 WT1 ATOM 2850 OH2 TIP3 1389 -4.638 -6.008 -21.737 1.00 0.00 WT1 ATOM 2851 H1 TIP3 1389 -4.671 -5.024 -21.736 1.00 0.00 WT1 ATOM 2852 H2 TIP3 1389 -5.081 -6.213 -22.583 1.00 0.00 WT1 ATOM 2853 OH2 TIP3 1392 -4.983 -3.369 -22.416 1.00 0.00 WT1 ATOM 2854 H1 TIP3 1392 -5.529 -2.635 -22.070 1.00 0.00 WT1 ATOM 2855 H2 TIP3 1392 -4.371 -2.922 -23.030 1.00 0.00 WT1 ATOM 2856 OH2 TIP3 1406 12.307 -9.041 20.965 1.00 0.00 WT1 ATOM 2857 H1 TIP3 1406 12.896 -9.409 20.288 1.00 0.00 WT1 ATOM 2858 H2 TIP3 1406 11.824 -8.356 20.457 1.00 0.00 WT1 ATOM 2859 OH2 TIP3 1407 -5.662 3.467 -28.706 1.00 0.00 WT1 ATOM 2860 H1 TIP3 1407 -4.932 3.870 -29.222 1.00 0.00 WT1 ATOM 2861 H2 TIP3 1407 -5.543 2.510 -28.906 1.00 0.00 WT1 ATOM 2862 OH2 TIP3 1410 -0.340 -4.907 24.793 1.00 0.00 WT1 ATOM 2863 H1 TIP3 1410 -0.198 -5.667 25.389 1.00 0.00 WT1 ATOM 2864 H2 TIP3 1410 -0.337 -5.321 23.903 1.00 0.00 WT1 ATOM 2865 OH2 TIP3 1412 -8.283 -10.251 -24.199 1.00 0.00 WT1 ATOM 2866 H1 TIP3 1412 -8.866 -9.484 -24.019 1.00 0.00 WT1 ATOM 2867 H2 TIP3 1412 -7.472 -9.826 -24.548 1.00 0.00 WT1 ATOM 2868 OH2 TIP3 1413 -1.946 -0.962 -21.960 1.00 0.00 WT1 ATOM 2869 H1 TIP3 1413 -1.322 -1.675 -21.708 1.00 0.00 WT1 ATOM 2870 H2 TIP3 1413 -2.499 -1.395 -22.635 1.00 0.00 WT1 ATOM 2871 OH2 TIP3 1431 10.567 2.945 -31.367 1.00 0.00 WT1 ATOM 2872 H1 TIP3 1431 9.621 2.871 -31.103 1.00 0.00 WT1 ATOM 2873 H2 TIP3 1431 10.897 3.676 -30.809 1.00 0.00 WT1 ATOM 2874 OH2 TIP3 1449 -9.024 -9.089 21.113 1.00 0.00 WT1 ATOM 2875 H1 TIP3 1449 -8.907 -10.040 21.291 1.00 0.00 WT1 ATOM 2876 H2 TIP3 1449 -9.990 -8.979 21.062 1.00 0.00 WT1 ATOM 2877 OH2 TIP3 1453 -0.506 8.678 -29.310 1.00 0.00 WT1 ATOM 2878 H1 TIP3 1453 -0.966 9.371 -29.816 1.00 0.00 WT1 ATOM 2879 H2 TIP3 1453 -1.241 8.284 -28.790 1.00 0.00 WT1 ATOM 2880 OH2 TIP3 1454 -9.808 0.319 -26.396 1.00 0.00 WT1 ATOM 2881 H1 TIP3 1454 -8.840 0.276 -26.272 1.00 0.00 WT1 ATOM 2882 H2 TIP3 1454 -9.943 -0.148 -27.250 1.00 0.00 WT1 ATOM 2883 OH2 TIP3 1468 -0.823 7.114 28.419 1.00 0.00 WT1 ATOM 2884 H1 TIP3 1468 -0.200 6.391 28.653 1.00 0.00 WT1 ATOM 2885 H2 TIP3 1468 -1.630 6.865 28.919 1.00 0.00 WT1 ATOM 2886 OH2 TIP3 1472 0.039 16.608 27.217 1.00 0.00 WT1 ATOM 2887 H1 TIP3 1472 0.769 16.440 26.586 1.00 0.00 WT1 ATOM 2888 H2 TIP3 1472 0.292 17.471 27.612 1.00 0.00 WT1 ATOM 2889 OH2 TIP3 1474 -11.880 2.144 -27.053 1.00 0.00 WT1 ATOM 2890 H1 TIP3 1474 -11.122 1.578 -26.798 1.00 0.00 WT1 ATOM 2891 H2 TIP3 1474 -11.442 2.966 -27.358 1.00 0.00 WT1 ATOM 2892 OH2 TIP3 1487 -10.969 1.828 25.424 1.00 0.00 WT1 ATOM 2893 H1 TIP3 1487 -11.416 2.602 25.031 1.00 0.00 WT1 ATOM 2894 H2 TIP3 1487 -11.705 1.231 25.617 1.00 0.00 WT1 ATOM 2895 OH2 TIP3 1491 -9.088 6.020 26.318 1.00 0.00 WT1 ATOM 2896 H1 TIP3 1491 -9.871 5.962 26.915 1.00 0.00 WT1 ATOM 2897 H2 TIP3 1491 -8.908 6.977 26.286 1.00 0.00 WT1 ATOM 2898 OH2 TIP3 1493 -13.085 4.177 -18.781 1.00 0.00 WT1 ATOM 2899 H1 TIP3 1493 -13.149 3.768 -17.912 1.00 0.00 WT1 ATOM 2900 H2 TIP3 1493 -12.143 4.044 -19.010 1.00 0.00 WT1 ATOM 2901 OH2 TIP3 1494 -4.313 -11.644 -20.879 1.00 0.00 WT1 ATOM 2902 H1 TIP3 1494 -4.113 -11.216 -21.735 1.00 0.00 WT1 ATOM 2903 H2 TIP3 1494 -4.099 -10.941 -20.221 1.00 0.00 WT1 ATOM 2904 OH2 TIP3 1497 -12.162 -7.520 -29.108 1.00 0.00 WT1 ATOM 2905 H1 TIP3 1497 -12.517 -6.943 -29.791 1.00 0.00 WT1 ATOM 2906 H2 TIP3 1497 -12.952 -8.032 -28.819 1.00 0.00 WT1 ATOM 2907 OH2 TIP3 1509 -13.467 5.014 26.412 1.00 0.00 WT1 ATOM 2908 H1 TIP3 1509 -13.157 4.480 25.649 1.00 0.00 WT1 ATOM 2909 H2 TIP3 1509 -13.837 5.811 25.978 1.00 0.00 WT1 ATOM 2910 OH2 TIP3 1511 -9.936 10.439 25.955 1.00 0.00 WT1 ATOM 2911 H1 TIP3 1511 -10.653 9.857 25.612 1.00 0.00 WT1 ATOM 2912 H2 TIP3 1511 -9.147 9.863 25.856 1.00 0.00 WT1 ATOM 2913 OH2 TIP3 1512 -8.505 1.978 -23.990 1.00 0.00 WT1 ATOM 2914 H1 TIP3 1512 -7.979 1.437 -24.614 1.00 0.00 WT1 ATOM 2915 H2 TIP3 1512 -9.417 1.764 -24.235 1.00 0.00 WT1 ATOM 2916 OH2 TIP3 1515 -2.593 7.784 -27.839 1.00 0.00 WT1 ATOM 2917 H1 TIP3 1515 -2.158 7.313 -27.098 1.00 0.00 WT1 ATOM 2918 H2 TIP3 1515 -3.501 7.422 -27.838 1.00 0.00 WT1 ATOM 2919 OH2 TIP3 1516 2.629 5.412 24.777 1.00 0.00 WT1 ATOM 2920 H1 TIP3 1516 3.005 5.453 23.878 1.00 0.00 WT1 ATOM 2921 H2 TIP3 1516 2.139 6.265 24.849 1.00 0.00 WT1 ATOM 2922 OH2 TIP3 1519 -6.596 10.070 -24.572 1.00 0.00 WT1 ATOM 2923 H1 TIP3 1519 -5.773 9.679 -24.212 1.00 0.00 WT1 ATOM 2924 H2 TIP3 1519 -6.882 10.671 -23.847 1.00 0.00 WT1 ATOM 2925 OH2 TIP3 1532 -7.122 3.510 -19.816 1.00 0.00 WT1 ATOM 2926 H1 TIP3 1532 -7.400 3.330 -18.897 1.00 0.00 WT1 ATOM 2927 H2 TIP3 1532 -6.257 3.964 -19.697 1.00 0.00 WT1 ATOM 2928 OH2 TIP3 1534 -0.237 14.356 -27.831 1.00 0.00 WT1 ATOM 2929 H1 TIP3 1534 0.633 13.995 -28.107 1.00 0.00 WT1 ATOM 2930 H2 TIP3 1534 -0.253 14.212 -26.855 1.00 0.00 WT1 ATOM 2931 OH2 TIP3 1538 -3.491 11.864 -22.840 1.00 0.00 WT1 ATOM 2932 H1 TIP3 1538 -3.557 12.311 -23.707 1.00 0.00 WT1 ATOM 2933 H2 TIP3 1538 -2.832 12.433 -22.379 1.00 0.00 WT1 ATOM 2934 OH2 TIP3 1540 -1.887 15.882 -18.641 1.00 0.00 WT1 ATOM 2935 H1 TIP3 1540 -1.638 15.359 -17.855 1.00 0.00 WT1 ATOM 2936 H2 TIP3 1540 -2.651 15.375 -18.986 1.00 0.00 WT1 ATOM 2937 OH2 TIP3 1550 -3.622 -2.100 18.560 1.00 0.00 WT1 ATOM 2938 H1 TIP3 1550 -2.904 -2.695 18.825 1.00 0.00 WT1 ATOM 2939 H2 TIP3 1550 -4.338 -2.711 18.281 1.00 0.00 WT1 ATOM 2940 OH2 TIP3 1766 -1.432 -4.663 -23.537 1.00 0.00 WT1 ATOM 2941 H1 TIP3 1766 -2.204 -4.168 -23.852 1.00 0.00 WT1 ATOM 2942 H2 TIP3 1766 -1.099 -4.100 -22.805 1.00 0.00 WT1 ATOM 2943 OH2 TIP3 1788 -4.944 4.978 -19.321 1.00 0.00 WT1 ATOM 2944 H1 TIP3 1788 -4.161 4.427 -19.115 1.00 0.00 WT1 ATOM 2945 H2 TIP3 1788 -4.794 5.783 -18.784 1.00 0.00 WT1 ATOM 2946 OH2 TIP3 1790 -1.386 -4.293 -19.007 1.00 0.00 WT1 ATOM 2947 H1 TIP3 1790 -0.735 -4.963 -18.737 1.00 0.00 WT1 ATOM 2948 H2 TIP3 1790 -2.242 -4.704 -18.740 1.00 0.00 WT1 ATOM 2949 OH2 TIP3 1804 -8.557 -11.917 21.483 1.00 0.00 WT1 ATOM 2950 H1 TIP3 1804 -9.269 -12.269 20.936 1.00 0.00 WT1 ATOM 2951 H2 TIP3 1804 -7.751 -12.281 21.040 1.00 0.00 WT1 ATOM 2952 OH2 TIP3 1813 -13.323 -7.711 -20.069 1.00 0.00 WT1 ATOM 2953 H1 TIP3 1813 -13.708 -6.811 -20.079 1.00 0.00 WT1 ATOM 2954 H2 TIP3 1813 -12.759 -7.680 -19.262 1.00 0.00 WT1 ATOM 2955 OH2 TIP3 1827 5.321 -12.847 26.333 1.00 0.00 WT1 ATOM 2956 H1 TIP3 1827 5.324 -13.797 26.086 1.00 0.00 WT1 ATOM 2957 H2 TIP3 1827 5.528 -12.389 25.498 1.00 0.00 WT1 ATOM 2958 OH2 TIP3 1828 -10.179 -5.157 21.367 1.00 0.00 WT1 ATOM 2959 H1 TIP3 1828 -10.109 -4.754 22.265 1.00 0.00 WT1 ATOM 2960 H2 TIP3 1828 -10.172 -4.369 20.763 1.00 0.00 WT1 ATOM 2961 OH2 TIP3 1837 -9.934 9.751 -24.018 1.00 0.00 WT1 ATOM 2962 H1 TIP3 1837 -9.446 10.504 -23.646 1.00 0.00 WT1 ATOM 2963 H2 TIP3 1837 -10.298 10.122 -24.851 1.00 0.00 WT1 ATOM 2964 OH2 TIP3 1846 -3.459 -0.895 25.898 1.00 0.00 WT1 ATOM 2965 H1 TIP3 1846 -2.761 -1.452 25.497 1.00 0.00 WT1 ATOM 2966 H2 TIP3 1846 -3.480 -0.112 25.309 1.00 0.00 WT1 ATOM 2967 OH2 TIP3 1850 -8.011 4.915 -27.868 1.00 0.00 WT1 ATOM 2968 H1 TIP3 1850 -7.130 4.516 -28.002 1.00 0.00 WT1 ATOM 2969 H2 TIP3 1850 -8.142 4.839 -26.894 1.00 0.00 WT1 ATOM 2970 OH2 TIP3 1851 1.427 2.381 -30.674 1.00 0.00 WT1 ATOM 2971 H1 TIP3 1851 1.840 2.829 -29.909 1.00 0.00 WT1 ATOM 2972 H2 TIP3 1851 1.354 1.458 -30.351 1.00 0.00 WT1 ATOM 2973 OH2 TIP3 1852 -8.838 4.677 -25.273 1.00 0.00 WT1 ATOM 2974 H1 TIP3 1852 -8.752 3.971 -24.612 1.00 0.00 WT1 ATOM 2975 H2 TIP3 1852 -9.097 5.457 -24.744 1.00 0.00 WT1 ATOM 2976 OH2 TIP3 1854 -1.882 -10.926 -31.819 1.00 0.00 WT1 ATOM 2977 H1 TIP3 1854 -2.672 -10.794 -31.251 1.00 0.00 WT1 ATOM 2978 H2 TIP3 1854 -2.226 -10.772 -32.727 1.00 0.00 WT1 ATOM 2979 OH2 TIP3 1856 -6.862 -6.886 -31.292 1.00 0.00 WT1 ATOM 2980 H1 TIP3 1856 -7.623 -7.490 -31.416 1.00 0.00 WT1 ATOM 2981 H2 TIP3 1856 -6.229 -7.439 -30.798 1.00 0.00 WT1 ATOM 2982 OH2 TIP3 1867 -0.407 -5.982 22.236 1.00 0.00 WT1 ATOM 2983 H1 TIP3 1867 -1.369 -5.884 22.050 1.00 0.00 WT1 ATOM 2984 H2 TIP3 1867 -0.053 -6.224 21.358 1.00 0.00 WT1 ATOM 2985 OH2 TIP3 1869 1.127 7.647 25.198 1.00 0.00 WT1 ATOM 2986 H1 TIP3 1869 0.193 7.703 25.430 1.00 0.00 WT1 ATOM 2987 H2 TIP3 1869 1.494 8.492 25.517 1.00 0.00 WT1 ATOM 2988 OH2 TIP3 1872 12.220 -3.151 -30.017 1.00 0.00 WT1 ATOM 2989 H1 TIP3 1872 12.540 -2.726 -29.193 1.00 0.00 WT1 ATOM 2990 H2 TIP3 1872 11.321 -2.772 -30.120 1.00 0.00 WT1 ATOM 2991 OH2 TIP3 1873 -5.524 -8.680 -29.600 1.00 0.00 WT1 ATOM 2992 H1 TIP3 1873 -6.428 -8.940 -29.308 1.00 0.00 WT1 ATOM 2993 H2 TIP3 1873 -5.099 -8.464 -28.743 1.00 0.00 WT1 ATOM 2994 OH2 TIP3 1877 3.014 12.466 -19.379 1.00 0.00 WT1 ATOM 2995 H1 TIP3 1877 2.806 12.494 -18.440 1.00 0.00 WT1 ATOM 2996 H2 TIP3 1877 3.020 11.497 -19.556 1.00 0.00 WT1 ATOM 2997 OH2 TIP3 1881 -1.948 1.422 -23.346 1.00 0.00 WT1 ATOM 2998 H1 TIP3 1881 -2.922 1.525 -23.360 1.00 0.00 WT1 ATOM 2999 H2 TIP3 1881 -1.835 0.576 -22.869 1.00 0.00 WT1 ATOM 3000 OH2 TIP3 1884 -5.420 11.789 19.418 1.00 0.00 WT1 ATOM 3001 H1 TIP3 1884 -5.178 12.353 18.675 1.00 0.00 WT1 ATOM 3002 H2 TIP3 1884 -4.641 11.177 19.482 1.00 0.00 WT1 ATOM 3003 OH2 TIP3 1887 5.579 3.581 21.098 1.00 0.00 WT1 ATOM 3004 H1 TIP3 1887 5.494 2.799 21.679 1.00 0.00 WT1 ATOM 3005 H2 TIP3 1887 5.725 3.171 20.214 1.00 0.00 WT1 ATOM 3006 OH2 TIP3 1889 0.905 1.756 18.687 1.00 0.00 WT1 ATOM 3007 H1 TIP3 1889 1.618 2.239 18.217 1.00 0.00 WT1 ATOM 3008 H2 TIP3 1889 0.121 2.315 18.490 1.00 0.00 WT1 ATOM 3009 OH2 TIP3 1890 -7.318 -10.349 26.016 1.00 0.00 WT1 ATOM 3010 H1 TIP3 1890 -6.807 -9.579 26.348 1.00 0.00 WT1 ATOM 3011 H2 TIP3 1890 -6.612 -10.952 25.703 1.00 0.00 WT1 ATOM 3012 OH2 TIP3 1893 -1.654 -2.040 28.599 1.00 0.00 WT1 ATOM 3013 H1 TIP3 1893 -2.497 -1.805 29.043 1.00 0.00 WT1 ATOM 3014 H2 TIP3 1893 -1.734 -1.582 27.751 1.00 0.00 WT1 ATOM 3015 OH2 TIP3 1896 3.482 1.599 -26.074 1.00 0.00 WT1 ATOM 3016 H1 TIP3 1896 3.140 1.111 -25.295 1.00 0.00 WT1 ATOM 3017 H2 TIP3 1896 4.321 1.980 -25.739 1.00 0.00 WT1 ATOM 3018 OH2 TIP3 1905 4.063 -4.954 17.687 1.00 0.00 WT1 ATOM 3019 H1 TIP3 1905 3.682 -5.746 17.278 1.00 0.00 WT1 ATOM 3020 H2 TIP3 1905 4.973 -5.236 17.870 1.00 0.00 WT1 ATOM 3021 OH2 TIP3 1908 -5.039 0.986 21.649 1.00 0.00 WT1 ATOM 3022 H1 TIP3 1908 -5.507 0.797 22.492 1.00 0.00 WT1 ATOM 3023 H2 TIP3 1908 -5.725 1.376 21.098 1.00 0.00 WT1 ATOM 3024 OH2 TIP3 1911 -7.476 0.740 -31.136 1.00 0.00 WT1 ATOM 3025 H1 TIP3 1911 -7.908 -0.113 -30.928 1.00 0.00 WT1 ATOM 3026 H2 TIP3 1911 -7.050 0.567 -32.000 1.00 0.00 WT1 ATOM 3027 OH2 TIP3 1912 -5.007 2.398 -26.171 1.00 0.00 WT1 ATOM 3028 H1 TIP3 1912 -5.292 2.866 -26.981 1.00 0.00 WT1 ATOM 3029 H2 TIP3 1912 -4.356 3.031 -25.788 1.00 0.00 WT1 ATOM 3030 OH2 TIP3 1913 2.374 14.439 32.173 1.00 0.00 WT1 ATOM 3031 H1 TIP3 1913 2.074 15.160 31.588 1.00 0.00 WT1 ATOM 3032 H2 TIP3 1913 1.979 13.656 31.734 1.00 0.00 WT1 ATOM 3033 OH2 TIP3 1914 -7.352 1.400 -21.539 1.00 0.00 WT1 ATOM 3034 H1 TIP3 1914 -7.258 2.185 -20.950 1.00 0.00 WT1 ATOM 3035 H2 TIP3 1914 -7.803 1.769 -22.330 1.00 0.00 WT1 ATOM 3036 OH2 TIP3 1915 -6.038 -1.744 -28.662 1.00 0.00 WT1 ATOM 3037 H1 TIP3 1915 -5.584 -2.308 -29.330 1.00 0.00 WT1 ATOM 3038 H2 TIP3 1915 -6.940 -1.703 -29.023 1.00 0.00 WT1 ATOM 3039 OH2 TIP3 1927 3.743 11.257 20.826 1.00 0.00 WT1 ATOM 3040 H1 TIP3 1927 4.200 10.530 20.341 1.00 0.00 WT1 ATOM 3041 H2 TIP3 1927 4.296 11.352 21.629 1.00 0.00 WT1 ATOM 3042 OH2 TIP3 1932 -9.201 -1.208 28.451 1.00 0.00 WT1 ATOM 3043 H1 TIP3 1932 -8.510 -0.512 28.396 1.00 0.00 WT1 ATOM 3044 H2 TIP3 1932 -9.303 -1.335 29.415 1.00 0.00 WT1 ATOM 3045 OH2 TIP3 1935 -1.146 7.026 -25.620 1.00 0.00 WT1 ATOM 3046 H1 TIP3 1935 -0.312 7.513 -25.790 1.00 0.00 WT1 ATOM 3047 H2 TIP3 1935 -0.834 6.213 -25.164 1.00 0.00 WT1 ATOM 3048 OH2 TIP3 1936 -3.471 6.452 -21.246 1.00 0.00 WT1 ATOM 3049 H1 TIP3 1936 -4.269 6.081 -20.837 1.00 0.00 WT1 ATOM 3050 H2 TIP3 1936 -2.974 5.641 -21.492 1.00 0.00 WT1 ATOM 3051 OH2 TIP3 1950 -2.426 10.257 -30.667 1.00 0.00 WT1 ATOM 3052 H1 TIP3 1950 -3.271 10.089 -30.199 1.00 0.00 WT1 ATOM 3053 H2 TIP3 1950 -2.326 9.474 -31.243 1.00 0.00 WT1 ATOM 3054 OH2 TIP3 1952 -3.418 0.111 -31.166 1.00 0.00 WT1 ATOM 3055 H1 TIP3 1952 -3.999 0.604 -30.552 1.00 0.00 WT1 ATOM 3056 H2 TIP3 1952 -4.031 -0.172 -31.859 1.00 0.00 WT1 ATOM 3057 OH2 TIP3 1954 -7.871 12.427 -27.225 1.00 0.00 WT1 ATOM 3058 H1 TIP3 1954 -7.945 12.919 -26.377 1.00 0.00 WT1 ATOM 3059 H2 TIP3 1954 -7.122 11.824 -27.063 1.00 0.00 WT1 ATOM 3060 OH2 TIP3 1955 -12.378 6.783 -28.678 1.00 0.00 WT1 ATOM 3061 H1 TIP3 1955 -12.482 7.258 -29.531 1.00 0.00 WT1 ATOM 3062 H2 TIP3 1955 -13.219 6.955 -28.214 1.00 0.00 WT1 ATOM 3063 OH2 TIP3 1956 0.899 1.750 26.898 1.00 0.00 WT1 ATOM 3064 H1 TIP3 1956 1.495 1.569 27.654 1.00 0.00 WT1 ATOM 3065 H2 TIP3 1956 0.840 0.883 26.447 1.00 0.00 WT1 ATOM 3066 OH2 TIP3 1957 -5.404 3.529 28.309 1.00 0.00 WT1 ATOM 3067 H1 TIP3 1957 -5.225 2.586 28.128 1.00 0.00 WT1 ATOM 3068 H2 TIP3 1957 -5.325 3.586 29.283 1.00 0.00 WT1 ATOM 3069 OH2 TIP3 1958 -3.533 3.788 26.237 1.00 0.00 WT1 ATOM 3070 H1 TIP3 1958 -2.643 3.724 26.648 1.00 0.00 WT1 ATOM 3071 H2 TIP3 1958 -4.120 3.879 27.015 1.00 0.00 WT1 ATOM 3072 OH2 TIP3 1991 11.092 8.935 20.942 1.00 0.00 WT1 ATOM 3073 H1 TIP3 1991 10.789 9.829 20.733 1.00 0.00 WT1 ATOM 3074 H2 TIP3 1991 11.093 8.497 20.065 1.00 0.00 WT1 ATOM 3075 OH2 TIP3 1992 0.343 16.541 18.251 1.00 0.00 WT1 ATOM 3076 H1 TIP3 1992 -0.625 16.486 18.122 1.00 0.00 WT1 ATOM 3077 H2 TIP3 1992 0.662 15.711 17.846 1.00 0.00 WT1 ATOM 3078 OH2 TIP3 1993 3.430 9.884 -29.786 1.00 0.00 WT1 ATOM 3079 H1 TIP3 1993 4.090 9.462 -30.377 1.00 0.00 WT1 ATOM 3080 H2 TIP3 1993 3.740 9.616 -28.896 1.00 0.00 WT1 ATOM 3081 OH2 TIP3 1995 -7.651 12.156 20.920 1.00 0.00 WT1 ATOM 3082 H1 TIP3 1995 -7.331 11.852 21.795 1.00 0.00 WT1 ATOM 3083 H2 TIP3 1995 -6.836 12.116 20.370 1.00 0.00 WT1 ATOM 3084 OH2 TIP3 1997 8.793 11.348 25.943 1.00 0.00 WT1 ATOM 3085 H1 TIP3 1997 8.024 10.845 25.607 1.00 0.00 WT1 ATOM 3086 H2 TIP3 1997 9.492 10.665 26.006 1.00 0.00 WT1 ATOM 3087 OH2 TIP3 2002 -3.989 9.442 -23.992 1.00 0.00 WT1 ATOM 3088 H1 TIP3 2002 -3.498 9.683 -24.806 1.00 0.00 WT1 ATOM 3089 H2 TIP3 2002 -3.786 10.192 -23.394 1.00 0.00 WT1 ATOM 3090 OH2 TIP3 2021 -4.743 11.783 -20.340 1.00 0.00 WT1 ATOM 3091 H1 TIP3 2021 -4.485 11.711 -21.281 1.00 0.00 WT1 ATOM 3092 H2 TIP3 2021 -4.708 10.841 -20.033 1.00 0.00 WT1 ATOM 3093 OH2 TIP3 2035 -13.326 7.480 18.577 1.00 0.00 WT1 ATOM 3094 H1 TIP3 2035 -12.778 8.086 18.054 1.00 0.00 WT1 ATOM 3095 H2 TIP3 2035 -13.503 8.012 19.379 1.00 0.00 WT1 ATOM 3096 OH2 TIP3 2105 -10.873 9.157 -19.991 1.00 0.00 WT1 ATOM 3097 H1 TIP3 2105 -11.596 9.737 -20.320 1.00 0.00 WT1 ATOM 3098 H2 TIP3 2105 -10.430 9.743 -19.340 1.00 0.00 WT1 ATOM 3099 OH2 TIP3 2165 -4.094 -13.408 -23.583 1.00 0.00 WT1 ATOM 3100 H1 TIP3 2165 -4.237 -12.446 -23.651 1.00 0.00 WT1 ATOM 3101 H2 TIP3 2165 -5.000 -13.762 -23.413 1.00 0.00 WT1 ATOM 3102 OH2 TIP3 2185 -0.132 -16.463 -15.776 1.00 0.00 WT1 ATOM 3103 H1 TIP3 2185 -0.379 -16.266 -14.868 1.00 0.00 WT1 ATOM 3104 H2 TIP3 2185 0.423 -15.700 -16.032 1.00 0.00 WT1 ATOM 3105 OH2 TIP3 2186 5.676 -12.367 -20.974 1.00 0.00 WT1 ATOM 3106 H1 TIP3 2186 5.807 -11.449 -20.646 1.00 0.00 WT1 ATOM 3107 H2 TIP3 2186 5.562 -12.877 -20.163 1.00 0.00 WT1 ATOM 3108 OH2 TIP3 2208 13.430 -2.717 -25.376 1.00 0.00 WT1 ATOM 3109 H1 TIP3 2208 14.384 -2.939 -25.294 1.00 0.00 WT1 ATOM 3110 H2 TIP3 2208 13.375 -2.403 -26.305 1.00 0.00 WT1 ATOM 3111 OH2 TIP3 2225 1.921 -13.821 26.219 1.00 0.00 WT1 ATOM 3112 H1 TIP3 2225 2.702 -14.229 25.824 1.00 0.00 WT1 ATOM 3113 H2 TIP3 2225 1.997 -12.880 25.948 1.00 0.00 WT1 ATOM 3114 OH2 TIP3 2229 1.023 0.070 -26.856 1.00 0.00 WT1 ATOM 3115 H1 TIP3 2229 1.885 0.505 -26.776 1.00 0.00 WT1 ATOM 3116 H2 TIP3 2229 0.923 -0.029 -27.819 1.00 0.00 WT1 ATOM 3117 OH2 TIP3 2232 1.126 -5.385 -18.030 1.00 0.00 WT1 ATOM 3118 H1 TIP3 2232 1.360 -4.467 -18.287 1.00 0.00 WT1 ATOM 3119 H2 TIP3 2232 1.162 -5.356 -17.069 1.00 0.00 WT1 ATOM 3120 OH2 TIP3 2243 1.763 -4.352 19.529 1.00 0.00 WT1 ATOM 3121 H1 TIP3 2243 2.061 -3.853 20.319 1.00 0.00 WT1 ATOM 3122 H2 TIP3 2243 2.556 -4.372 18.962 1.00 0.00 WT1 ATOM 3123 OH2 TIP3 2247 -5.482 -8.296 23.772 1.00 0.00 WT1 ATOM 3124 H1 TIP3 2247 -5.380 -8.496 24.708 1.00 0.00 WT1 ATOM 3125 H2 TIP3 2247 -5.665 -9.166 23.370 1.00 0.00 WT1 ATOM 3126 OH2 TIP3 2251 -2.302 -1.178 -28.925 1.00 0.00 WT1 ATOM 3127 H1 TIP3 2251 -2.627 -0.827 -29.777 1.00 0.00 WT1 ATOM 3128 H2 TIP3 2251 -2.506 -0.448 -28.300 1.00 0.00 WT1 ATOM 3129 OH2 TIP3 2253 -1.339 -0.889 -25.708 1.00 0.00 WT1 ATOM 3130 H1 TIP3 2253 -1.836 -0.201 -26.188 1.00 0.00 WT1 ATOM 3131 H2 TIP3 2253 -0.419 -0.710 -25.985 1.00 0.00 WT1 ATOM 3132 OH2 TIP3 2265 -5.860 -8.173 26.833 1.00 0.00 WT1 ATOM 3133 H1 TIP3 2265 -5.874 -7.259 26.471 1.00 0.00 WT1 ATOM 3134 H2 TIP3 2265 -5.095 -8.144 27.452 1.00 0.00 WT1 ATOM 3135 OH2 TIP3 2266 6.430 -0.462 18.342 1.00 0.00 WT1 ATOM 3136 H1 TIP3 2266 5.728 -0.945 17.847 1.00 0.00 WT1 ATOM 3137 H2 TIP3 2266 5.994 -0.265 19.178 1.00 0.00 WT1 ATOM 3138 OH2 TIP3 2271 4.549 -6.924 -25.492 1.00 0.00 WT1 ATOM 3139 H1 TIP3 2271 4.870 -6.103 -25.927 1.00 0.00 WT1 ATOM 3140 H2 TIP3 2271 4.148 -7.427 -26.231 1.00 0.00 WT1 ATOM 3141 OH2 TIP3 2274 -6.910 12.122 -18.645 1.00 0.00 WT1 ATOM 3142 H1 TIP3 2274 -6.573 11.462 -18.029 1.00 0.00 WT1 ATOM 3143 H2 TIP3 2274 -6.289 12.039 -19.398 1.00 0.00 WT1 ATOM 3144 OH2 TIP3 2275 1.576 -4.062 -27.489 1.00 0.00 WT1 ATOM 3145 H1 TIP3 2275 2.470 -3.707 -27.683 1.00 0.00 WT1 ATOM 3146 H2 TIP3 2275 0.998 -3.489 -28.036 1.00 0.00 WT1 ATOM 3147 OH2 TIP3 2287 -1.053 3.449 17.625 1.00 0.00 WT1 ATOM 3148 H1 TIP3 2287 -0.792 3.354 16.691 1.00 0.00 WT1 ATOM 3149 H2 TIP3 2287 -2.035 3.403 17.593 1.00 0.00 WT1 ATOM 3150 OH2 TIP3 2291 -4.682 0.897 27.640 1.00 0.00 WT1 ATOM 3151 H1 TIP3 2291 -4.325 0.248 27.003 1.00 0.00 WT1 ATOM 3152 H2 TIP3 2291 -3.895 1.072 28.212 1.00 0.00 WT1 ATOM 3153 OH2 TIP3 2296 8.804 -7.173 -22.543 1.00 0.00 WT1 ATOM 3154 H1 TIP3 2296 7.996 -7.409 -23.061 1.00 0.00 WT1 ATOM 3155 H2 TIP3 2296 9.415 -6.837 -23.236 1.00 0.00 WT1 ATOM 3156 OH2 TIP3 2303 -5.334 -4.744 28.669 1.00 0.00 WT1 ATOM 3157 H1 TIP3 2303 -5.430 -5.313 27.884 1.00 0.00 WT1 ATOM 3158 H2 TIP3 2303 -5.363 -3.848 28.270 1.00 0.00 WT1 ATOM 3159 OH2 TIP3 2309 -3.975 -8.599 -32.016 1.00 0.00 WT1 ATOM 3160 H1 TIP3 2309 -3.066 -8.321 -31.798 1.00 0.00 WT1 ATOM 3161 H2 TIP3 2309 -4.420 -8.584 -31.149 1.00 0.00 WT1 ATOM 3162 OH2 TIP3 2310 -9.592 -9.235 24.852 1.00 0.00 WT1 ATOM 3163 H1 TIP3 2310 -9.905 -8.849 25.675 1.00 0.00 WT1 ATOM 3164 H2 TIP3 2310 -8.730 -9.624 25.099 1.00 0.00 WT1 ATOM 3165 OH2 TIP3 2311 -4.436 -5.643 -27.339 1.00 0.00 WT1 ATOM 3166 H1 TIP3 2311 -3.959 -4.973 -27.872 1.00 0.00 WT1 ATOM 3167 H2 TIP3 2311 -5.266 -5.193 -27.105 1.00 0.00 WT1 ATOM 3168 OH2 TIP3 2313 9.271 -11.840 -23.607 1.00 0.00 WT1 ATOM 3169 H1 TIP3 2313 10.091 -12.033 -24.109 1.00 0.00 WT1 ATOM 3170 H2 TIP3 2313 9.564 -11.149 -22.976 1.00 0.00 WT1 ATOM 3171 OH2 TIP3 2315 0.587 4.631 -21.778 1.00 0.00 WT1 ATOM 3172 H1 TIP3 2315 0.752 4.691 -20.814 1.00 0.00 WT1 ATOM 3173 H2 TIP3 2315 1.491 4.569 -22.153 1.00 0.00 WT1 ATOM 3174 OH2 TIP3 2319 0.147 2.041 -19.410 1.00 0.00 WT1 ATOM 3175 H1 TIP3 2319 0.380 2.978 -19.235 1.00 0.00 WT1 ATOM 3176 H2 TIP3 2319 0.332 1.602 -18.556 1.00 0.00 WT1 ATOM 3177 OH2 TIP3 2331 7.755 -5.360 -29.912 1.00 0.00 WT1 ATOM 3178 H1 TIP3 2331 7.776 -5.361 -28.935 1.00 0.00 WT1 ATOM 3179 H2 TIP3 2331 8.573 -5.853 -30.124 1.00 0.00 WT1 ATOM 3180 OH2 TIP3 2332 7.111 -0.033 -25.732 1.00 0.00 WT1 ATOM 3181 H1 TIP3 2332 6.398 0.120 -25.075 1.00 0.00 WT1 ATOM 3182 H2 TIP3 2332 6.808 0.485 -26.504 1.00 0.00 WT1 ATOM 3183 OH2 TIP3 2333 -4.940 10.194 -29.486 1.00 0.00 WT1 ATOM 3184 H1 TIP3 2333 -5.259 10.951 -30.020 1.00 0.00 WT1 ATOM 3185 H2 TIP3 2333 -5.202 10.437 -28.578 1.00 0.00 WT1 ATOM 3186 OH2 TIP3 2335 -11.747 -4.721 -20.999 1.00 0.00 WT1 ATOM 3187 H1 TIP3 2335 -12.529 -4.830 -20.424 1.00 0.00 WT1 ATOM 3188 H2 TIP3 2335 -10.997 -4.842 -20.369 1.00 0.00 WT1 ATOM 3189 OH2 TIP3 2336 4.926 14.916 -30.991 1.00 0.00 WT1 ATOM 3190 H1 TIP3 2336 4.028 14.833 -31.380 1.00 0.00 WT1 ATOM 3191 H2 TIP3 2336 4.977 14.116 -30.433 1.00 0.00 WT1 ATOM 3192 OH2 TIP3 2337 -0.547 15.922 -23.354 1.00 0.00 WT1 ATOM 3193 H1 TIP3 2337 -0.459 16.173 -22.408 1.00 0.00 WT1 ATOM 3194 H2 TIP3 2337 -0.241 16.729 -23.804 1.00 0.00 WT1 ATOM 3195 OH2 TIP3 2338 -0.583 13.888 -25.149 1.00 0.00 WT1 ATOM 3196 H1 TIP3 2338 0.095 13.300 -24.754 1.00 0.00 WT1 ATOM 3197 H2 TIP3 2338 -0.619 14.631 -24.502 1.00 0.00 WT1 ATOM 3198 OH2 TIP3 2339 -2.869 3.404 -18.475 1.00 0.00 WT1 ATOM 3199 H1 TIP3 2339 -2.669 2.840 -19.256 1.00 0.00 WT1 ATOM 3200 H2 TIP3 2339 -3.112 2.751 -17.810 1.00 0.00 WT1 ATOM 3201 OH2 TIP3 2349 -5.224 6.586 22.248 1.00 0.00 WT1 ATOM 3202 H1 TIP3 2349 -4.308 6.397 22.006 1.00 0.00 WT1 ATOM 3203 H2 TIP3 2349 -5.349 6.020 23.048 1.00 0.00 WT1 ATOM 3204 OH2 TIP3 2354 -1.553 11.858 -28.057 1.00 0.00 WT1 ATOM 3205 H1 TIP3 2354 -1.128 12.716 -27.898 1.00 0.00 WT1 ATOM 3206 H2 TIP3 2354 -1.120 11.550 -28.871 1.00 0.00 WT1 ATOM 3207 OH2 TIP3 2355 0.089 -2.535 -29.290 1.00 0.00 WT1 ATOM 3208 H1 TIP3 2355 -0.684 -2.005 -28.998 1.00 0.00 WT1 ATOM 3209 H2 TIP3 2355 -0.296 -3.068 -30.008 1.00 0.00 WT1 ATOM 3210 OH2 TIP3 2359 3.092 4.332 -22.952 1.00 0.00 WT1 ATOM 3211 H1 TIP3 2359 3.910 4.835 -23.032 1.00 0.00 WT1 ATOM 3212 H2 TIP3 2359 3.377 3.541 -22.439 1.00 0.00 WT1 ATOM 3213 OH2 TIP3 2369 7.303 -9.472 28.817 1.00 0.00 WT1 ATOM 3214 H1 TIP3 2369 6.695 -9.654 28.092 1.00 0.00 WT1 ATOM 3215 H2 TIP3 2369 8.164 -9.803 28.477 1.00 0.00 WT1 ATOM 3216 OH2 TIP3 2371 0.211 -6.692 26.876 1.00 0.00 WT1 ATOM 3217 H1 TIP3 2371 1.140 -6.935 27.064 1.00 0.00 WT1 ATOM 3218 H2 TIP3 2371 0.048 -5.960 27.500 1.00 0.00 WT1 ATOM 3219 OH2 TIP3 2374 -2.014 6.937 25.964 1.00 0.00 WT1 ATOM 3220 H1 TIP3 2374 -1.504 7.011 26.798 1.00 0.00 WT1 ATOM 3221 H2 TIP3 2374 -2.913 6.733 26.290 1.00 0.00 WT1 ATOM 3222 OH2 TIP3 2377 -0.060 -10.345 -23.322 1.00 0.00 WT1 ATOM 3223 H1 TIP3 2377 -0.845 -10.086 -23.854 1.00 0.00 WT1 ATOM 3224 H2 TIP3 2377 0.009 -11.306 -23.518 1.00 0.00 WT1 ATOM 3225 OH2 TIP3 2380 -2.911 -3.870 -28.844 1.00 0.00 WT1 ATOM 3226 H1 TIP3 2380 -2.673 -3.822 -29.792 1.00 0.00 WT1 ATOM 3227 H2 TIP3 2380 -2.802 -2.937 -28.571 1.00 0.00 WT1 ATOM 3228 OH2 TIP3 2390 -6.386 -2.486 24.290 1.00 0.00 WT1 ATOM 3229 H1 TIP3 2390 -6.354 -1.525 24.111 1.00 0.00 WT1 ATOM 3230 H2 TIP3 2390 -7.141 -2.567 24.904 1.00 0.00 WT1 ATOM 3231 OH2 TIP3 2393 -5.852 8.655 24.006 1.00 0.00 WT1 ATOM 3232 H1 TIP3 2393 -4.941 8.856 24.336 1.00 0.00 WT1 ATOM 3233 H2 TIP3 2393 -5.698 7.854 23.470 1.00 0.00 WT1 ATOM 3234 OH2 TIP3 2394 5.995 -1.529 22.677 1.00 0.00 WT1 ATOM 3235 H1 TIP3 2394 5.261 -2.126 22.919 1.00 0.00 WT1 ATOM 3236 H2 TIP3 2394 6.706 -1.838 23.272 1.00 0.00 WT1 ATOM 3237 OH2 TIP3 2396 -9.403 11.825 18.772 1.00 0.00 WT1 ATOM 3238 H1 TIP3 2396 -8.778 11.609 18.058 1.00 0.00 WT1 ATOM 3239 H2 TIP3 2396 -8.825 11.987 19.544 1.00 0.00 WT1 ATOM 3240 OH2 TIP3 2414 -1.136 -1.032 17.164 1.00 0.00 WT1 ATOM 3241 H1 TIP3 2414 -1.057 -0.736 18.090 1.00 0.00 WT1 ATOM 3242 H2 TIP3 2414 -2.046 -1.354 17.122 1.00 0.00 WT1 ATOM 3243 OH2 TIP3 2415 -4.943 12.588 24.936 1.00 0.00 WT1 ATOM 3244 H1 TIP3 2415 -4.036 12.222 25.002 1.00 0.00 WT1 ATOM 3245 H2 TIP3 2415 -5.171 12.734 25.878 1.00 0.00 WT1 ATOM 3246 OH2 TIP3 2436 -2.837 12.848 -31.568 1.00 0.00 WT1 ATOM 3247 H1 TIP3 2436 -2.616 13.491 -30.855 1.00 0.00 WT1 ATOM 3248 H2 TIP3 2436 -2.611 11.980 -31.161 1.00 0.00 WT1 ATOM 3249 OH2 TIP3 2457 3.002 1.597 21.139 1.00 0.00 WT1 ATOM 3250 H1 TIP3 2457 2.651 1.578 20.239 1.00 0.00 WT1 ATOM 3251 H2 TIP3 2457 2.209 1.821 21.668 1.00 0.00 WT1 ATOM 3252 OH2 TIP3 2475 -1.657 -2.159 22.197 1.00 0.00 WT1 ATOM 3253 H1 TIP3 2475 -2.560 -1.893 21.923 1.00 0.00 WT1 ATOM 3254 H2 TIP3 2475 -1.350 -2.667 21.414 1.00 0.00 WT1 ATOM 3255 OH2 TIP3 2626 -11.712 -9.469 23.067 1.00 0.00 WT1 ATOM 3256 H1 TIP3 2626 -11.687 -8.762 22.394 1.00 0.00 WT1 ATOM 3257 H2 TIP3 2626 -10.879 -9.342 23.568 1.00 0.00 WT1 ATOM 3258 OH2 TIP3 2628 6.551 -7.939 -23.874 1.00 0.00 WT1 ATOM 3259 H1 TIP3 2628 6.135 -8.770 -23.620 1.00 0.00 WT1 ATOM 3260 H2 TIP3 2628 5.873 -7.525 -24.448 1.00 0.00 WT1 ATOM 3261 OH2 TIP3 2632 6.675 0.721 -21.452 1.00 0.00 WT1 ATOM 3262 H1 TIP3 2632 6.004 0.372 -20.822 1.00 0.00 WT1 ATOM 3263 H2 TIP3 2632 6.322 0.411 -22.314 1.00 0.00 WT1 ATOM 3264 OH2 TIP3 2646 -3.870 -7.726 28.683 1.00 0.00 WT1 ATOM 3265 H1 TIP3 2646 -3.501 -6.858 28.396 1.00 0.00 WT1 ATOM 3266 H2 TIP3 2646 -3.763 -7.706 29.646 1.00 0.00 WT1 ATOM 3267 OH2 TIP3 2649 10.209 -8.390 -25.929 1.00 0.00 WT1 ATOM 3268 H1 TIP3 2649 9.977 -9.041 -25.259 1.00 0.00 WT1 ATOM 3269 H2 TIP3 2649 10.371 -7.577 -25.409 1.00 0.00 WT1 ATOM 3270 OH2 TIP3 2654 8.202 -9.078 -30.187 1.00 0.00 WT1 ATOM 3271 H1 TIP3 2654 8.691 -8.257 -29.985 1.00 0.00 WT1 ATOM 3272 H2 TIP3 2654 8.245 -9.582 -29.364 1.00 0.00 WT1 ATOM 3273 OH2 TIP3 2669 -5.951 -8.871 -24.772 1.00 0.00 WT1 ATOM 3274 H1 TIP3 2669 -5.502 -8.778 -25.641 1.00 0.00 WT1 ATOM 3275 H2 TIP3 2669 -6.048 -7.940 -24.481 1.00 0.00 WT1 ATOM 3276 OH2 TIP3 2685 -1.686 5.771 19.248 1.00 0.00 WT1 ATOM 3277 H1 TIP3 2685 -1.274 5.196 18.577 1.00 0.00 WT1 ATOM 3278 H2 TIP3 2685 -2.020 6.520 18.729 1.00 0.00 WT1 ATOM 3279 OH2 TIP3 2686 2.296 -3.036 21.958 1.00 0.00 WT1 ATOM 3280 H1 TIP3 2686 1.767 -2.235 22.137 1.00 0.00 WT1 ATOM 3281 H2 TIP3 2686 2.981 -3.000 22.660 1.00 0.00 WT1 ATOM 3282 OH2 TIP3 2689 2.434 -12.490 -29.450 1.00 0.00 WT1 ATOM 3283 H1 TIP3 2689 2.737 -11.737 -29.999 1.00 0.00 WT1 ATOM 3284 H2 TIP3 2689 3.267 -12.797 -29.024 1.00 0.00 WT1 ATOM 3285 OH2 TIP3 2690 4.498 -13.134 -27.819 1.00 0.00 WT1 ATOM 3286 H1 TIP3 2690 5.446 -13.382 -27.793 1.00 0.00 WT1 ATOM 3287 H2 TIP3 2690 4.500 -12.266 -27.370 1.00 0.00 WT1 ATOM 3288 OH2 TIP3 2691 -2.816 -13.981 -21.235 1.00 0.00 WT1 ATOM 3289 H1 TIP3 2691 -3.064 -13.824 -22.172 1.00 0.00 WT1 ATOM 3290 H2 TIP3 2691 -3.295 -13.253 -20.792 1.00 0.00 WT1 ATOM 3291 OH2 TIP3 2692 6.842 -12.080 -24.926 1.00 0.00 WT1 ATOM 3292 H1 TIP3 2692 7.692 -11.958 -24.450 1.00 0.00 WT1 ATOM 3293 H2 TIP3 2692 6.297 -12.590 -24.285 1.00 0.00 WT1 ATOM 3294 OH2 TIP3 2697 5.823 -4.396 -18.441 1.00 0.00 WT1 ATOM 3295 H1 TIP3 2697 6.708 -3.990 -18.255 1.00 0.00 WT1 ATOM 3296 H2 TIP3 2697 5.916 -5.302 -18.126 1.00 0.00 WT1 ATOM 3297 OH2 TIP3 2707 -2.502 1.483 29.034 1.00 0.00 WT1 ATOM 3298 H1 TIP3 2707 -1.987 2.223 28.655 1.00 0.00 WT1 ATOM 3299 H2 TIP3 2707 -1.979 1.218 29.817 1.00 0.00 WT1 ATOM 3300 OH2 TIP3 2713 -2.833 0.929 -27.274 1.00 0.00 WT1 ATOM 3301 H1 TIP3 2713 -2.480 1.771 -27.632 1.00 0.00 WT1 ATOM 3302 H2 TIP3 2713 -3.640 1.224 -26.816 1.00 0.00 WT1 ATOM 3303 OH2 TIP3 2715 3.108 -10.179 -30.784 1.00 0.00 WT1 ATOM 3304 H1 TIP3 2715 3.475 -9.279 -30.866 1.00 0.00 WT1 ATOM 3305 H2 TIP3 2715 2.181 -10.042 -31.056 1.00 0.00 WT1 ATOM 3306 OH2 TIP3 2727 2.828 2.972 17.195 1.00 0.00 WT1 ATOM 3307 H1 TIP3 2727 3.531 3.614 17.363 1.00 0.00 WT1 ATOM 3308 H2 TIP3 2727 3.320 2.211 16.798 1.00 0.00 WT1 ATOM 3309 OH2 TIP3 2728 -0.033 -10.571 22.099 1.00 0.00 WT1 ATOM 3310 H1 TIP3 2728 0.921 -10.742 21.926 1.00 0.00 WT1 ATOM 3311 H2 TIP3 2728 -0.258 -11.283 22.720 1.00 0.00 WT1 ATOM 3312 OH2 TIP3 2730 -1.011 -11.186 26.322 1.00 0.00 WT1 ATOM 3313 H1 TIP3 2730 -1.151 -10.284 26.691 1.00 0.00 WT1 ATOM 3314 H2 TIP3 2730 -1.625 -11.720 26.849 1.00 0.00 WT1 ATOM 3315 OH2 TIP3 2732 -4.105 -10.557 -23.445 1.00 0.00 WT1 ATOM 3316 H1 TIP3 2732 -4.829 -10.027 -23.833 1.00 0.00 WT1 ATOM 3317 H2 TIP3 2732 -3.322 -10.210 -23.922 1.00 0.00 WT1 ATOM 3318 OH2 TIP3 2733 6.288 -4.157 26.658 1.00 0.00 WT1 ATOM 3319 H1 TIP3 2733 5.359 -4.406 26.469 1.00 0.00 WT1 ATOM 3320 H2 TIP3 2733 6.779 -4.980 26.440 1.00 0.00 WT1 ATOM 3321 OH2 TIP3 2734 1.482 -6.402 -28.999 1.00 0.00 WT1 ATOM 3322 H1 TIP3 2734 0.512 -6.346 -29.094 1.00 0.00 WT1 ATOM 3323 H2 TIP3 2734 1.662 -5.707 -28.337 1.00 0.00 WT1 ATOM 3324 OH2 TIP3 2735 -5.503 -2.047 -25.963 1.00 0.00 WT1 ATOM 3325 H1 TIP3 2735 -5.919 -2.918 -25.842 1.00 0.00 WT1 ATOM 3326 H2 TIP3 2735 -5.535 -1.931 -26.937 1.00 0.00 WT1 ATOM 3327 OH2 TIP3 2736 10.037 -6.994 -29.833 1.00 0.00 WT1 ATOM 3328 H1 TIP3 2736 10.841 -6.482 -30.065 1.00 0.00 WT1 ATOM 3329 H2 TIP3 2736 10.418 -7.735 -29.313 1.00 0.00 WT1 ATOM 3330 OH2 TIP3 2750 2.798 -9.867 28.106 1.00 0.00 WT1 ATOM 3331 H1 TIP3 2750 3.545 -10.460 28.324 1.00 0.00 WT1 ATOM 3332 H2 TIP3 2750 2.193 -10.005 28.872 1.00 0.00 WT1 ATOM 3333 OH2 TIP3 2752 -6.152 -10.727 22.566 1.00 0.00 WT1 ATOM 3334 H1 TIP3 2752 -7.063 -11.029 22.408 1.00 0.00 WT1 ATOM 3335 H2 TIP3 2752 -5.850 -10.505 21.656 1.00 0.00 WT1 ATOM 3336 OH2 TIP3 2753 1.931 7.564 -29.072 1.00 0.00 WT1 ATOM 3337 H1 TIP3 2753 0.992 7.787 -29.265 1.00 0.00 WT1 ATOM 3338 H2 TIP3 2753 2.408 8.290 -29.509 1.00 0.00 WT1 ATOM 3339 OH2 TIP3 2764 1.812 -16.518 20.431 1.00 0.00 WT1 ATOM 3340 H1 TIP3 2764 2.604 -16.251 19.925 1.00 0.00 WT1 ATOM 3341 H2 TIP3 2764 1.405 -15.672 20.655 1.00 0.00 WT1 ATOM 3342 OH2 TIP3 2769 -7.176 4.020 26.187 1.00 0.00 WT1 ATOM 3343 H1 TIP3 2769 -6.713 3.954 27.048 1.00 0.00 WT1 ATOM 3344 H2 TIP3 2769 -7.880 4.686 26.352 1.00 0.00 WT1 ATOM 3345 OH2 TIP3 2770 0.648 -6.854 19.806 1.00 0.00 WT1 ATOM 3346 H1 TIP3 2770 1.043 -5.966 19.654 1.00 0.00 WT1 ATOM 3347 H2 TIP3 2770 1.211 -7.435 19.264 1.00 0.00 WT1 ATOM 3348 OH2 TIP3 2775 10.520 -10.161 -31.417 1.00 0.00 WT1 ATOM 3349 H1 TIP3 2775 9.685 -9.817 -31.044 1.00 0.00 WT1 ATOM 3350 H2 TIP3 2775 11.087 -10.263 -30.637 1.00 0.00 WT1 ATOM 3351 OH2 TIP3 2777 6.251 1.477 -28.061 1.00 0.00 WT1 ATOM 3352 H1 TIP3 2777 5.850 2.027 -28.765 1.00 0.00 WT1 ATOM 3353 H2 TIP3 2777 6.958 2.062 -27.717 1.00 0.00 WT1 ATOM 3354 OH2 TIP3 2791 -4.152 -1.606 21.215 1.00 0.00 WT1 ATOM 3355 H1 TIP3 2791 -4.466 -0.689 21.342 1.00 0.00 WT1 ATOM 3356 H2 TIP3 2791 -4.072 -1.674 20.239 1.00 0.00 WT1 ATOM 3357 OH2 TIP3 2794 2.955 -7.332 -31.110 1.00 0.00 WT1 ATOM 3358 H1 TIP3 2794 3.824 -6.895 -31.024 1.00 0.00 WT1 ATOM 3359 H2 TIP3 2794 2.450 -6.972 -30.347 1.00 0.00 WT1 ATOM 3360 OH2 TIP3 2795 -2.908 10.148 -26.446 1.00 0.00 WT1 ATOM 3361 H1 TIP3 2795 -2.350 10.822 -26.901 1.00 0.00 WT1 ATOM 3362 H2 TIP3 2795 -2.729 9.343 -26.976 1.00 0.00 WT1 ATOM 3363 OH2 TIP3 2811 7.698 6.076 24.097 1.00 0.00 WT1 ATOM 3364 H1 TIP3 2811 8.506 6.351 24.571 1.00 0.00 WT1 ATOM 3365 H2 TIP3 2811 7.139 5.754 24.814 1.00 0.00 WT1 ATOM 3366 OH2 TIP3 2812 2.457 -5.838 22.649 1.00 0.00 WT1 ATOM 3367 H1 TIP3 2812 1.507 -6.045 22.652 1.00 0.00 WT1 ATOM 3368 H2 TIP3 2812 2.464 -4.896 22.408 1.00 0.00 WT1 ATOM 3369 OH2 TIP3 2813 0.688 3.078 15.377 1.00 0.00 WT1 ATOM 3370 H1 TIP3 2813 0.656 2.137 15.170 1.00 0.00 WT1 ATOM 3371 H2 TIP3 2813 1.402 3.139 16.042 1.00 0.00 WT1 ATOM 3372 OH2 TIP3 2815 1.422 -8.689 -24.970 1.00 0.00 WT1 ATOM 3373 H1 TIP3 2815 1.051 -9.379 -24.385 1.00 0.00 WT1 ATOM 3374 H2 TIP3 2815 1.797 -8.034 -24.345 1.00 0.00 WT1 ATOM 3375 OH2 TIP3 2817 0.690 4.770 -19.003 1.00 0.00 WT1 ATOM 3376 H1 TIP3 2817 1.449 4.997 -18.423 1.00 0.00 WT1 ATOM 3377 H2 TIP3 2817 -0.036 5.306 -18.635 1.00 0.00 WT1 ATOM 3378 OH2 TIP3 2832 1.231 8.281 -26.404 1.00 0.00 WT1 ATOM 3379 H1 TIP3 2832 1.303 7.955 -27.321 1.00 0.00 WT1 ATOM 3380 H2 TIP3 2832 1.203 9.258 -26.522 1.00 0.00 WT1 ATOM 3381 OH2 TIP3 2833 -12.120 5.210 19.766 1.00 0.00 WT1 ATOM 3382 H1 TIP3 2833 -11.158 5.234 19.542 1.00 0.00 WT1 ATOM 3383 H2 TIP3 2833 -12.505 5.879 19.170 1.00 0.00 WT1 ATOM 3384 OH2 TIP3 2837 6.378 10.117 25.357 1.00 0.00 WT1 ATOM 3385 H1 TIP3 2837 6.306 10.000 24.398 1.00 0.00 WT1 ATOM 3386 H2 TIP3 2837 5.609 10.696 25.553 1.00 0.00 WT1 ATOM 3387 OH2 TIP3 2843 10.464 7.694 -20.321 1.00 0.00 WT1 ATOM 3388 H1 TIP3 2843 11.328 7.321 -20.053 1.00 0.00 WT1 ATOM 3389 H2 TIP3 2843 9.822 7.051 -19.943 1.00 0.00 WT1 ATOM 3390 OH2 TIP3 2849 -11.347 9.671 18.275 1.00 0.00 WT1 ATOM 3391 H1 TIP3 2849 -10.457 10.029 18.114 1.00 0.00 WT1 ATOM 3392 H2 TIP3 2849 -11.903 10.437 18.009 1.00 0.00 WT1 ATOM 3393 OH2 TIP3 2856 3.547 5.342 21.928 1.00 0.00 WT1 ATOM 3394 H1 TIP3 2856 4.273 4.702 21.789 1.00 0.00 WT1 ATOM 3395 H2 TIP3 2856 2.992 5.199 21.151 1.00 0.00 WT1 ATOM 3396 OH2 TIP3 2857 -3.832 6.902 -25.060 1.00 0.00 WT1 ATOM 3397 H1 TIP3 2857 -2.862 7.030 -25.143 1.00 0.00 WT1 ATOM 3398 H2 TIP3 2857 -4.081 7.621 -24.445 1.00 0.00 WT1 ATOM 3399 OH2 TIP3 2859 -5.648 12.320 -31.119 1.00 0.00 WT1 ATOM 3400 H1 TIP3 2859 -4.862 12.842 -31.362 1.00 0.00 WT1 ATOM 3401 H2 TIP3 2859 -6.195 12.965 -30.622 1.00 0.00 WT1 ATOM 3402 OH2 TIP3 2917 1.100 11.514 21.386 1.00 0.00 WT1 ATOM 3403 H1 TIP3 2917 0.900 12.435 21.576 1.00 0.00 WT1 ATOM 3404 H2 TIP3 2917 2.071 11.528 21.209 1.00 0.00 WT1 ATOM 3405 OH2 TIP3 2944 6.582 11.948 -28.024 1.00 0.00 WT1 ATOM 3406 H1 TIP3 2944 7.044 11.152 -28.364 1.00 0.00 WT1 ATOM 3407 H2 TIP3 2944 6.065 12.230 -28.803 1.00 0.00 WT1 ATOM 3408 OH2 TIP3 3042 9.743 -10.304 27.922 1.00 0.00 WT1 ATOM 3409 H1 TIP3 3042 10.061 -9.728 27.194 1.00 0.00 WT1 ATOM 3410 H2 TIP3 3042 10.398 -10.144 28.630 1.00 0.00 WT1 ATOM 3411 OH2 TIP3 3049 -0.256 -15.728 -23.290 1.00 0.00 WT1 ATOM 3412 H1 TIP3 3049 -0.344 -15.683 -22.317 1.00 0.00 WT1 ATOM 3413 H2 TIP3 3049 0.701 -15.574 -23.445 1.00 0.00 WT1 ATOM 3414 OH2 TIP3 3073 -1.425 -13.098 -28.249 1.00 0.00 WT1 ATOM 3415 H1 TIP3 3073 -0.713 -12.471 -28.041 1.00 0.00 WT1 ATOM 3416 H2 TIP3 3073 -1.276 -13.299 -29.199 1.00 0.00 WT1 ATOM 3417 OH2 TIP3 3082 8.252 -9.486 22.402 1.00 0.00 WT1 ATOM 3418 H1 TIP3 3082 8.777 -10.311 22.541 1.00 0.00 WT1 ATOM 3419 H2 TIP3 3082 7.929 -9.293 23.307 1.00 0.00 WT1 ATOM 3420 OH2 TIP3 3091 0.386 -9.601 -31.227 1.00 0.00 WT1 ATOM 3421 H1 TIP3 3091 -0.361 -10.232 -31.352 1.00 0.00 WT1 ATOM 3422 H2 TIP3 3091 -0.093 -8.740 -31.255 1.00 0.00 WT1 ATOM 3423 OH2 TIP3 3105 -2.319 1.317 21.044 1.00 0.00 WT1 ATOM 3424 H1 TIP3 3105 -2.113 2.276 21.067 1.00 0.00 WT1 ATOM 3425 H2 TIP3 3105 -3.275 1.287 21.231 1.00 0.00 WT1 ATOM 3426 OH2 TIP3 3108 0.033 -14.586 -26.481 1.00 0.00 WT1 ATOM 3427 H1 TIP3 3108 -0.638 -14.093 -26.997 1.00 0.00 WT1 ATOM 3428 H2 TIP3 3108 0.686 -14.810 -27.178 1.00 0.00 WT1 ATOM 3429 OH2 TIP3 3111 5.764 -3.315 -30.329 1.00 0.00 WT1 ATOM 3430 H1 TIP3 3111 6.569 -3.864 -30.256 1.00 0.00 WT1 ATOM 3431 H2 TIP3 3111 5.324 -3.676 -31.118 1.00 0.00 WT1 ATOM 3432 OH2 TIP3 3114 9.784 -9.787 -21.840 1.00 0.00 WT1 ATOM 3433 H1 TIP3 3114 9.288 -8.957 -21.969 1.00 0.00 WT1 ATOM 3434 H2 TIP3 3114 9.287 -10.249 -21.132 1.00 0.00 WT1 ATOM 3435 OH2 TIP3 3115 3.165 -8.832 -27.083 1.00 0.00 WT1 ATOM 3436 H1 TIP3 3115 3.755 -9.595 -26.909 1.00 0.00 WT1 ATOM 3437 H2 TIP3 3115 2.525 -8.878 -26.344 1.00 0.00 WT1 ATOM 3438 OH2 TIP3 3123 12.593 -9.403 18.076 1.00 0.00 WT1 ATOM 3439 H1 TIP3 3123 12.118 -9.905 17.406 1.00 0.00 WT1 ATOM 3440 H2 TIP3 3123 11.968 -8.694 18.319 1.00 0.00 WT1 ATOM 3441 OH2 TIP3 3126 2.582 -11.310 21.507 1.00 0.00 WT1 ATOM 3442 H1 TIP3 3126 3.343 -11.859 21.772 1.00 0.00 WT1 ATOM 3443 H2 TIP3 3126 2.904 -10.894 20.672 1.00 0.00 WT1 ATOM 3444 OH2 TIP3 3132 2.817 -7.136 27.663 1.00 0.00 WT1 ATOM 3445 H1 TIP3 3132 2.775 -6.961 28.625 1.00 0.00 WT1 ATOM 3446 H2 TIP3 3132 2.932 -8.111 27.641 1.00 0.00 WT1 ATOM 3447 OH2 TIP3 3148 -3.823 -12.011 27.339 1.00 0.00 WT1 ATOM 3448 H1 TIP3 3148 -4.286 -12.074 26.474 1.00 0.00 WT1 ATOM 3449 H2 TIP3 3148 -3.322 -12.856 27.399 1.00 0.00 WT1 ATOM 3450 OH2 TIP3 3150 -1.412 -7.560 -31.215 1.00 0.00 WT1 ATOM 3451 H1 TIP3 3150 -1.501 -6.961 -31.992 1.00 0.00 WT1 ATOM 3452 H2 TIP3 3150 -1.424 -6.944 -30.452 1.00 0.00 WT1 ATOM 3453 OH2 TIP3 3157 4.567 8.133 -22.404 1.00 0.00 WT1 ATOM 3454 H1 TIP3 3157 4.046 7.788 -23.156 1.00 0.00 WT1 ATOM 3455 H2 TIP3 3157 4.387 9.096 -22.459 1.00 0.00 WT1 ATOM 3456 OH2 TIP3 3179 -1.843 5.931 -18.187 1.00 0.00 WT1 ATOM 3457 H1 TIP3 3179 -2.700 6.359 -17.953 1.00 0.00 WT1 ATOM 3458 H2 TIP3 3179 -2.114 5.004 -18.365 1.00 0.00 WT1 ATOM 3459 OH2 TIP3 3180 4.407 -2.190 -17.572 1.00 0.00 WT1 ATOM 3460 H1 TIP3 3180 4.803 -2.977 -18.011 1.00 0.00 WT1 ATOM 3461 H2 TIP3 3180 5.156 -1.839 -17.077 1.00 0.00 WT1 ATOM 3462 OH2 TIP3 3190 -2.486 15.372 23.219 1.00 0.00 WT1 ATOM 3463 H1 TIP3 3190 -2.407 15.842 22.366 1.00 0.00 WT1 ATOM 3464 H2 TIP3 3190 -3.421 15.111 23.236 1.00 0.00 WT1 ATOM 3465 OH2 TIP3 3191 1.764 -11.087 25.859 1.00 0.00 WT1 ATOM 3466 H1 TIP3 3191 0.794 -11.094 25.985 1.00 0.00 WT1 ATOM 3467 H2 TIP3 3191 2.089 -10.640 26.670 1.00 0.00 WT1 ATOM 3468 OH2 TIP3 3192 4.048 -3.109 -28.214 1.00 0.00 WT1 ATOM 3469 H1 TIP3 3192 4.002 -2.135 -28.289 1.00 0.00 WT1 ATOM 3470 H2 TIP3 3192 4.610 -3.341 -28.987 1.00 0.00 WT1 ATOM 3471 OH2 TIP3 3194 13.520 0.709 26.245 1.00 0.00 WT1 ATOM 3472 H1 TIP3 3194 13.201 1.344 25.571 1.00 0.00 WT1 ATOM 3473 H2 TIP3 3194 14.482 0.684 26.059 1.00 0.00 WT1 ATOM 3474 OH2 TIP3 3195 2.813 5.394 -17.305 1.00 0.00 WT1 ATOM 3475 H1 TIP3 3195 2.794 6.378 -17.448 1.00 0.00 WT1 ATOM 3476 H2 TIP3 3195 3.255 5.327 -16.453 1.00 0.00 WT1 ATOM 3477 OH2 TIP3 3196 3.580 14.704 -20.885 1.00 0.00 WT1 ATOM 3478 H1 TIP3 3196 4.144 15.085 -20.203 1.00 0.00 WT1 ATOM 3479 H2 TIP3 3196 3.256 13.881 -20.446 1.00 0.00 WT1 ATOM 3480 OH2 TIP3 3197 -3.785 14.284 -19.737 1.00 0.00 WT1 ATOM 3481 H1 TIP3 3197 -4.685 14.654 -19.668 1.00 0.00 WT1 ATOM 3482 H2 TIP3 3197 -3.972 13.344 -19.938 1.00 0.00 WT1 ATOM 3483 OH2 TIP3 3206 4.257 -1.781 17.325 1.00 0.00 WT1 ATOM 3484 H1 TIP3 3206 4.217 -2.750 17.265 1.00 0.00 WT1 ATOM 3485 H2 TIP3 3206 3.309 -1.531 17.414 1.00 0.00 WT1 ATOM 3486 OH2 TIP3 3208 -3.209 6.243 29.482 1.00 0.00 WT1 ATOM 3487 H1 TIP3 3208 -3.745 6.235 28.662 1.00 0.00 WT1 ATOM 3488 H2 TIP3 3208 -3.752 6.800 30.084 1.00 0.00 WT1 ATOM 3489 OH2 TIP3 3211 13.321 8.574 26.179 1.00 0.00 WT1 ATOM 3490 H1 TIP3 3211 13.723 9.457 26.062 1.00 0.00 WT1 ATOM 3491 H2 TIP3 3211 12.365 8.774 26.135 1.00 0.00 WT1 ATOM 3492 OH2 TIP3 3213 9.553 3.728 21.594 1.00 0.00 WT1 ATOM 3493 H1 TIP3 3213 10.363 3.903 22.097 1.00 0.00 WT1 ATOM 3494 H2 TIP3 3213 9.910 3.277 20.789 1.00 0.00 WT1 ATOM 3495 OH2 TIP3 3214 5.477 -6.172 -31.346 1.00 0.00 WT1 ATOM 3496 H1 TIP3 3214 5.633 -7.118 -31.589 1.00 0.00 WT1 ATOM 3497 H2 TIP3 3214 6.299 -5.944 -30.869 1.00 0.00 WT1 ATOM 3498 OH2 TIP3 3215 1.441 0.910 -21.527 1.00 0.00 WT1 ATOM 3499 H1 TIP3 3215 0.812 1.255 -20.858 1.00 0.00 WT1 ATOM 3500 H2 TIP3 3215 2.187 1.540 -21.449 1.00 0.00 WT1 ATOM 3501 OH2 TIP3 3232 4.093 -3.095 24.006 1.00 0.00 WT1 ATOM 3502 H1 TIP3 3232 4.104 -3.930 24.512 1.00 0.00 WT1 ATOM 3503 H2 TIP3 3232 3.877 -2.436 24.700 1.00 0.00 WT1 ATOM 3504 OH2 TIP3 3234 -2.153 3.507 -27.973 1.00 0.00 WT1 ATOM 3505 H1 TIP3 3234 -2.543 3.914 -27.174 1.00 0.00 WT1 ATOM 3506 H2 TIP3 3234 -1.189 3.626 -27.816 1.00 0.00 WT1 ATOM 3507 OH2 TIP3 3237 3.758 2.323 -21.279 1.00 0.00 WT1 ATOM 3508 H1 TIP3 3237 4.207 1.485 -21.059 1.00 0.00 WT1 ATOM 3509 H2 TIP3 3237 3.668 2.740 -20.388 1.00 0.00 WT1 ATOM 3510 OH2 TIP3 3241 2.054 13.496 -29.212 1.00 0.00 WT1 ATOM 3511 H1 TIP3 3241 2.973 13.266 -29.008 1.00 0.00 WT1 ATOM 3512 H2 TIP3 3241 2.131 13.960 -30.073 1.00 0.00 WT1 ATOM 3513 OH2 TIP3 3242 0.460 0.470 -17.116 1.00 0.00 WT1 ATOM 3514 H1 TIP3 3242 0.194 0.595 -16.198 1.00 0.00 WT1 ATOM 3515 H2 TIP3 3242 -0.052 -0.324 -17.387 1.00 0.00 WT1 ATOM 3516 OH2 TIP3 3244 0.448 3.513 -27.133 1.00 0.00 WT1 ATOM 3517 H1 TIP3 3244 1.225 3.233 -27.665 1.00 0.00 WT1 ATOM 3518 H2 TIP3 3244 0.400 2.836 -26.426 1.00 0.00 WT1 ATOM 3519 OH2 TIP3 3252 -3.317 9.110 24.760 1.00 0.00 WT1 ATOM 3520 H1 TIP3 3252 -2.907 9.948 25.057 1.00 0.00 WT1 ATOM 3521 H2 TIP3 3252 -2.728 8.426 25.128 1.00 0.00 WT1 ATOM 3522 OH2 TIP3 3254 2.358 9.784 26.623 1.00 0.00 WT1 ATOM 3523 H1 TIP3 3254 1.624 9.849 27.276 1.00 0.00 WT1 ATOM 3524 H2 TIP3 3254 2.927 9.091 27.017 1.00 0.00 WT1 ATOM 3525 OH2 TIP3 3258 4.463 -0.521 -29.008 1.00 0.00 WT1 ATOM 3526 H1 TIP3 3258 5.134 -0.952 -29.557 1.00 0.00 WT1 ATOM 3527 H2 TIP3 3258 4.961 0.214 -28.595 1.00 0.00 WT1 ATOM 3528 OH2 TIP3 3259 -3.493 -4.446 25.086 1.00 0.00 WT1 ATOM 3529 H1 TIP3 3259 -2.769 -3.799 25.057 1.00 0.00 WT1 ATOM 3530 H2 TIP3 3259 -3.854 -4.395 24.177 1.00 0.00 WT1 ATOM 3531 OH2 TIP3 3260 -1.642 12.597 27.916 1.00 0.00 WT1 ATOM 3532 H1 TIP3 3260 -2.262 12.277 28.602 1.00 0.00 WT1 ATOM 3533 H2 TIP3 3260 -1.817 13.569 27.915 1.00 0.00 WT1 ATOM 3534 OH2 TIP3 3262 -3.141 4.294 -25.479 1.00 0.00 WT1 ATOM 3535 H1 TIP3 3262 -3.562 5.156 -25.272 1.00 0.00 WT1 ATOM 3536 H2 TIP3 3262 -2.323 4.332 -24.942 1.00 0.00 WT1 ATOM 3537 OH2 TIP3 3274 7.944 2.535 -30.613 1.00 0.00 WT1 ATOM 3538 H1 TIP3 3274 7.911 1.583 -30.835 1.00 0.00 WT1 ATOM 3539 H2 TIP3 3274 7.017 2.746 -30.404 1.00 0.00 WT1 ATOM 3540 OH2 TIP3 3280 5.900 2.693 -25.157 1.00 0.00 WT1 ATOM 3541 H1 TIP3 3280 6.769 2.721 -25.610 1.00 0.00 WT1 ATOM 3542 H2 TIP3 3280 6.135 2.904 -24.224 1.00 0.00 WT1 ATOM 3543 OH2 TIP3 3282 11.377 10.179 -24.846 1.00 0.00 WT1 ATOM 3544 H1 TIP3 3282 11.291 11.119 -24.582 1.00 0.00 WT1 ATOM 3545 H2 TIP3 3282 11.358 9.729 -23.976 1.00 0.00 WT1 ATOM 3546 OH2 TIP3 3300 6.415 8.420 27.636 1.00 0.00 WT1 ATOM 3547 H1 TIP3 3300 5.463 8.188 27.716 1.00 0.00 WT1 ATOM 3548 H2 TIP3 3300 6.437 8.971 26.825 1.00 0.00 WT1 ATOM 3549 OH2 TIP3 3302 5.400 8.633 -31.167 1.00 0.00 WT1 ATOM 3550 H1 TIP3 3302 4.961 7.803 -31.448 1.00 0.00 WT1 ATOM 3551 H2 TIP3 3302 5.811 8.944 -31.999 1.00 0.00 WT1 ATOM 3552 OH2 TIP3 3316 4.169 11.151 29.044 1.00 0.00 WT1 ATOM 3553 H1 TIP3 3316 5.021 11.233 28.568 1.00 0.00 WT1 ATOM 3554 H2 TIP3 3316 3.539 11.567 28.439 1.00 0.00 WT1 ATOM 3555 OH2 TIP3 3324 0.451 9.556 28.559 1.00 0.00 WT1 ATOM 3556 H1 TIP3 3324 -0.055 8.719 28.496 1.00 0.00 WT1 ATOM 3557 H2 TIP3 3324 0.258 9.857 29.459 1.00 0.00 WT1 ATOM 3558 OH2 TIP3 3341 0.649 17.021 -28.424 1.00 0.00 WT1 ATOM 3559 H1 TIP3 3341 -0.131 17.213 -28.977 1.00 0.00 WT1 ATOM 3560 H2 TIP3 3341 0.453 16.138 -28.073 1.00 0.00 WT1 ATOM 3561 OH2 TIP3 3342 -4.836 13.760 -27.543 1.00 0.00 WT1 ATOM 3562 H1 TIP3 3342 -5.498 13.973 -28.225 1.00 0.00 WT1 ATOM 3563 H2 TIP3 3342 -5.039 12.829 -27.331 1.00 0.00 WT1 ATOM 3564 OH2 TIP3 3408 6.558 10.090 -24.561 1.00 0.00 WT1 ATOM 3565 H1 TIP3 3408 6.825 10.325 -25.459 1.00 0.00 WT1 ATOM 3566 H2 TIP3 3408 6.497 9.113 -24.603 1.00 0.00 WT1 ATOM 3567 OH2 TIP3 3507 -2.053 -14.020 27.821 1.00 0.00 WT1 ATOM 3568 H1 TIP3 3507 -1.767 -14.667 28.484 1.00 0.00 WT1 ATOM 3569 H2 TIP3 3507 -1.573 -14.308 27.016 1.00 0.00 WT1 ATOM 3570 OH2 TIP3 3527 -0.493 -7.462 -26.535 1.00 0.00 WT1 ATOM 3571 H1 TIP3 3527 0.177 -7.683 -25.863 1.00 0.00 WT1 ATOM 3572 H2 TIP3 3527 -0.188 -7.984 -27.299 1.00 0.00 WT1 ATOM 3573 OH2 TIP3 3534 2.509 -6.549 -23.664 1.00 0.00 WT1 ATOM 3574 H1 TIP3 3534 2.053 -5.814 -24.136 1.00 0.00 WT1 ATOM 3575 H2 TIP3 3534 3.340 -6.648 -24.174 1.00 0.00 WT1 ATOM 3576 OH2 TIP3 3545 -8.615 -11.356 -26.965 1.00 0.00 WT1 ATOM 3577 H1 TIP3 3545 -8.527 -11.289 -26.001 1.00 0.00 WT1 ATOM 3578 H2 TIP3 3545 -8.433 -12.296 -27.151 1.00 0.00 WT1 ATOM 3579 OH2 TIP3 3548 -1.287 -6.106 -28.831 1.00 0.00 WT1 ATOM 3580 H1 TIP3 3548 -1.202 -6.403 -27.903 1.00 0.00 WT1 ATOM 3581 H2 TIP3 3548 -1.884 -5.333 -28.756 1.00 0.00 WT1 ATOM 3582 OH2 TIP3 3554 0.611 -9.198 -28.455 1.00 0.00 WT1 ATOM 3583 H1 TIP3 3554 0.620 -9.264 -29.431 1.00 0.00 WT1 ATOM 3584 H2 TIP3 3554 1.485 -8.795 -28.266 1.00 0.00 WT1 ATOM 3585 OH2 TIP3 3566 -0.571 -0.319 19.753 1.00 0.00 WT1 ATOM 3586 H1 TIP3 3566 -1.251 0.183 20.260 1.00 0.00 WT1 ATOM 3587 H2 TIP3 3566 0.070 0.380 19.518 1.00 0.00 WT1 ATOM 3588 OH2 TIP3 3571 5.394 1.146 22.471 1.00 0.00 WT1 ATOM 3589 H1 TIP3 3571 5.608 0.183 22.467 1.00 0.00 WT1 ATOM 3590 H2 TIP3 3571 4.511 1.175 22.034 1.00 0.00 WT1 ATOM 3591 OH2 TIP3 3573 5.903 -8.780 -31.663 1.00 0.00 WT1 ATOM 3592 H1 TIP3 3573 5.883 -9.543 -32.270 1.00 0.00 WT1 ATOM 3593 H2 TIP3 3573 6.698 -8.966 -31.120 1.00 0.00 WT1 ATOM 3594 OH2 TIP3 3575 2.494 0.239 -23.957 1.00 0.00 WT1 ATOM 3595 H1 TIP3 3575 2.023 0.530 -23.146 1.00 0.00 WT1 ATOM 3596 H2 TIP3 3575 2.377 -0.739 -23.931 1.00 0.00 WT1 ATOM 3597 OH2 TIP3 3588 10.581 -5.772 27.084 1.00 0.00 WT1 ATOM 3598 H1 TIP3 3588 10.473 -4.803 27.023 1.00 0.00 WT1 ATOM 3599 H2 TIP3 3588 11.555 -5.852 27.240 1.00 0.00 WT1 ATOM 3600 OH2 TIP3 3589 3.322 -1.251 25.869 1.00 0.00 WT1 ATOM 3601 H1 TIP3 3589 3.746 -0.402 25.611 1.00 0.00 WT1 ATOM 3602 H2 TIP3 3589 2.366 -1.056 25.772 1.00 0.00 WT1 ATOM 3603 OH2 TIP3 3590 7.177 -0.032 26.090 1.00 0.00 WT1 ATOM 3604 H1 TIP3 3590 7.871 0.651 25.987 1.00 0.00 WT1 ATOM 3605 H2 TIP3 3590 7.311 -0.326 27.021 1.00 0.00 WT1 ATOM 3606 OH2 TIP3 3595 5.586 -4.600 -26.494 1.00 0.00 WT1 ATOM 3607 H1 TIP3 3595 4.949 -4.118 -27.067 1.00 0.00 WT1 ATOM 3608 H2 TIP3 3595 6.141 -3.873 -26.141 1.00 0.00 WT1 ATOM 3609 OH2 TIP3 3596 -11.357 0.949 -30.559 1.00 0.00 WT1 ATOM 3610 H1 TIP3 3596 -11.402 0.803 -31.529 1.00 0.00 WT1 ATOM 3611 H2 TIP3 3596 -11.066 1.891 -30.509 1.00 0.00 WT1 ATOM 3612 OH2 TIP3 3597 0.262 2.140 -24.746 1.00 0.00 WT1 ATOM 3613 H1 TIP3 3597 0.821 1.347 -24.737 1.00 0.00 WT1 ATOM 3614 H2 TIP3 3597 -0.541 1.843 -24.251 1.00 0.00 WT1 ATOM 3615 OH2 TIP3 3609 4.033 0.877 16.021 1.00 0.00 WT1 ATOM 3616 H1 TIP3 3609 3.800 0.710 15.084 1.00 0.00 WT1 ATOM 3617 H2 TIP3 3609 4.155 -0.017 16.376 1.00 0.00 WT1 ATOM 3618 OH2 TIP3 3610 7.606 -8.903 25.003 1.00 0.00 WT1 ATOM 3619 H1 TIP3 3610 7.353 -8.008 25.311 1.00 0.00 WT1 ATOM 3620 H2 TIP3 3610 8.520 -8.973 25.341 1.00 0.00 WT1 ATOM 3621 OH2 TIP3 3613 -0.362 -4.520 28.585 1.00 0.00 WT1 ATOM 3622 H1 TIP3 3613 -0.792 -3.637 28.571 1.00 0.00 WT1 ATOM 3623 H2 TIP3 3613 0.455 -4.355 29.106 1.00 0.00 WT1 ATOM 3624 OH2 TIP3 3614 5.279 -0.158 -23.675 1.00 0.00 WT1 ATOM 3625 H1 TIP3 3614 4.349 0.120 -23.781 1.00 0.00 WT1 ATOM 3626 H2 TIP3 3614 5.208 -1.130 -23.586 1.00 0.00 WT1 ATOM 3627 OH2 TIP3 3615 5.372 -2.939 -23.576 1.00 0.00 WT1 ATOM 3628 H1 TIP3 3615 5.648 -3.611 -22.942 1.00 0.00 WT1 ATOM 3629 H2 TIP3 3615 6.096 -2.947 -24.239 1.00 0.00 WT1 ATOM 3630 OH2 TIP3 3619 -0.015 -13.023 -24.110 1.00 0.00 WT1 ATOM 3631 H1 TIP3 3619 -0.343 -13.814 -23.647 1.00 0.00 WT1 ATOM 3632 H2 TIP3 3619 -0.047 -13.320 -25.042 1.00 0.00 WT1 ATOM 3633 OH2 TIP3 3630 3.690 -4.904 26.157 1.00 0.00 WT1 ATOM 3634 H1 TIP3 3630 3.485 -5.793 26.513 1.00 0.00 WT1 ATOM 3635 H2 TIP3 3630 2.925 -4.385 26.426 1.00 0.00 WT1 ATOM 3636 OH2 TIP3 3632 0.680 -0.651 25.405 1.00 0.00 WT1 ATOM 3637 H1 TIP3 3632 0.786 -0.578 24.430 1.00 0.00 WT1 ATOM 3638 H2 TIP3 3632 -0.073 -1.267 25.475 1.00 0.00 WT1 ATOM 3639 OH2 TIP3 3633 8.170 3.069 -26.793 1.00 0.00 WT1 ATOM 3640 H1 TIP3 3633 9.044 2.632 -26.749 1.00 0.00 WT1 ATOM 3641 H2 TIP3 3633 8.408 4.003 -26.964 1.00 0.00 WT1 ATOM 3642 OH2 TIP3 3634 8.336 9.441 -20.687 1.00 0.00 WT1 ATOM 3643 H1 TIP3 3634 9.115 8.850 -20.717 1.00 0.00 WT1 ATOM 3644 H2 TIP3 3634 8.647 10.177 -20.106 1.00 0.00 WT1 ATOM 3645 OH2 TIP3 3635 -3.066 -5.869 21.476 1.00 0.00 WT1 ATOM 3646 H1 TIP3 3635 -3.651 -5.222 21.917 1.00 0.00 WT1 ATOM 3647 H2 TIP3 3635 -3.659 -6.318 20.864 1.00 0.00 WT1 ATOM 3648 OH2 TIP3 3638 11.658 8.534 -28.449 1.00 0.00 WT1 ATOM 3649 H1 TIP3 3638 11.010 9.252 -28.284 1.00 0.00 WT1 ATOM 3650 H2 TIP3 3638 12.253 8.628 -27.673 1.00 0.00 WT1 ATOM 3651 OH2 TIP3 3641 -0.455 -3.266 -21.392 1.00 0.00 WT1 ATOM 3652 H1 TIP3 3641 0.382 -3.784 -21.438 1.00 0.00 WT1 ATOM 3653 H2 TIP3 3641 -0.839 -3.568 -20.540 1.00 0.00 WT1 ATOM 3654 OH2 TIP3 3652 -0.851 -3.081 19.731 1.00 0.00 WT1 ATOM 3655 H1 TIP3 3652 -0.581 -2.148 19.617 1.00 0.00 WT1 ATOM 3656 H2 TIP3 3652 -0.040 -3.577 19.515 1.00 0.00 WT1 ATOM 3657 OH2 TIP3 3654 -1.158 3.422 27.614 1.00 0.00 WT1 ATOM 3658 H1 TIP3 3654 -0.467 2.802 27.295 1.00 0.00 WT1 ATOM 3659 H2 TIP3 3654 -0.629 4.100 28.081 1.00 0.00 WT1 ATOM 3660 OH2 TIP3 3656 -6.341 2.280 17.676 1.00 0.00 WT1 ATOM 3661 H1 TIP3 3656 -7.006 2.992 17.530 1.00 0.00 WT1 ATOM 3662 H2 TIP3 3656 -6.278 1.849 16.818 1.00 0.00 WT1 ATOM 3663 OH2 TIP3 3659 -1.883 13.727 -21.747 1.00 0.00 WT1 ATOM 3664 H1 TIP3 3659 -1.352 14.437 -22.138 1.00 0.00 WT1 ATOM 3665 H2 TIP3 3659 -2.342 14.163 -21.007 1.00 0.00 WT1 ATOM 3666 OH2 TIP3 3660 -3.737 -10.871 -29.727 1.00 0.00 WT1 ATOM 3667 H1 TIP3 3660 -4.030 -11.725 -29.327 1.00 0.00 WT1 ATOM 3668 H2 TIP3 3660 -4.550 -10.338 -29.730 1.00 0.00 WT1 ATOM 3669 OH2 TIP3 3670 10.234 -8.403 25.912 1.00 0.00 WT1 ATOM 3670 H1 TIP3 3670 10.430 -7.531 26.303 1.00 0.00 WT1 ATOM 3671 H2 TIP3 3670 10.601 -8.320 25.009 1.00 0.00 WT1 ATOM 3672 OH2 TIP3 3673 0.693 -0.699 22.674 1.00 0.00 WT1 ATOM 3673 H1 TIP3 3673 -0.141 -1.077 22.329 1.00 0.00 WT1 ATOM 3674 H2 TIP3 3673 0.621 0.248 22.432 1.00 0.00 WT1 ATOM 3675 OH2 TIP3 3677 -2.039 14.896 -29.908 1.00 0.00 WT1 ATOM 3676 H1 TIP3 3677 -1.786 15.815 -30.149 1.00 0.00 WT1 ATOM 3677 H2 TIP3 3677 -1.453 14.709 -29.148 1.00 0.00 WT1 ATOM 3678 OH2 TIP3 3691 8.071 2.172 23.421 1.00 0.00 WT1 ATOM 3679 H1 TIP3 3691 8.506 2.712 22.733 1.00 0.00 WT1 ATOM 3680 H2 TIP3 3691 7.262 1.856 22.987 1.00 0.00 WT1 ATOM 3681 OH2 TIP3 3697 1.477 11.007 -26.709 1.00 0.00 WT1 ATOM 3682 H1 TIP3 3697 1.295 11.514 -25.897 1.00 0.00 WT1 ATOM 3683 H2 TIP3 3697 2.423 11.211 -26.869 1.00 0.00 WT1 ATOM 3684 OH2 TIP3 3698 4.753 12.309 -30.100 1.00 0.00 WT1 ATOM 3685 H1 TIP3 3698 5.107 12.106 -30.995 1.00 0.00 WT1 ATOM 3686 H2 TIP3 3698 4.148 11.554 -29.941 1.00 0.00 WT1 ATOM 3687 OH2 TIP3 3700 14.968 7.597 -23.978 1.00 0.00 WT1 ATOM 3688 H1 TIP3 3700 14.120 7.266 -23.611 1.00 0.00 WT1 ATOM 3689 H2 TIP3 3700 14.873 8.567 -23.871 1.00 0.00 WT1 ATOM 3690 OH2 TIP3 3711 -6.289 -12.717 20.216 1.00 0.00 WT1 ATOM 3691 H1 TIP3 3711 -5.588 -13.326 19.921 1.00 0.00 WT1 ATOM 3692 H2 TIP3 3711 -5.942 -11.829 19.970 1.00 0.00 WT1 ATOM 3693 OH2 TIP3 3720 4.261 10.806 -23.187 1.00 0.00 WT1 ATOM 3694 H1 TIP3 3720 5.064 10.642 -23.720 1.00 0.00 WT1 ATOM 3695 H2 TIP3 3720 4.192 11.778 -23.192 1.00 0.00 WT1 ATOM 3696 OH2 TIP3 3722 9.994 10.312 -27.218 1.00 0.00 WT1 ATOM 3697 H1 TIP3 3722 10.427 10.270 -26.339 1.00 0.00 WT1 ATOM 3698 H2 TIP3 3722 9.217 9.724 -27.098 1.00 0.00 WT1 ATOM 3699 OH2 TIP3 3723 -7.546 8.391 -26.576 1.00 0.00 WT1 ATOM 3700 H1 TIP3 3723 -8.512 8.426 -26.643 1.00 0.00 WT1 ATOM 3701 H2 TIP3 3723 -7.353 8.968 -25.809 1.00 0.00 WT1 ATOM 3702 OH2 TIP3 3740 4.164 11.332 -26.909 1.00 0.00 WT1 ATOM 3703 H1 TIP3 3740 5.039 11.680 -27.162 1.00 0.00 WT1 ATOM 3704 H2 TIP3 3740 4.294 10.363 -26.960 1.00 0.00 WT1 ATOM 3705 OH2 TIP3 3759 7.278 5.626 27.299 1.00 0.00 WT1 ATOM 3706 H1 TIP3 3759 6.873 6.506 27.373 1.00 0.00 WT1 ATOM 3707 H2 TIP3 3759 8.132 5.746 27.764 1.00 0.00 WT1 ATOM 3708 OH2 TIP3 3760 3.145 14.178 26.472 1.00 0.00 WT1 ATOM 3709 H1 TIP3 3760 2.451 13.940 27.128 1.00 0.00 WT1 ATOM 3710 H2 TIP3 3760 2.806 15.019 26.099 1.00 0.00 WT1 ATOM 3711 OH2 TIP3 3781 -5.151 14.424 22.910 1.00 0.00 WT1 ATOM 3712 H1 TIP3 3781 -5.015 13.799 22.188 1.00 0.00 WT1 ATOM 3713 H2 TIP3 3781 -5.186 13.844 23.703 1.00 0.00 WT1 ATOM 3714 OH2 TIP3 3821 14.300 8.055 -29.115 1.00 0.00 WT1 ATOM 3715 H1 TIP3 3821 13.343 8.257 -29.141 1.00 0.00 WT1 ATOM 3716 H2 TIP3 3821 14.519 8.229 -28.182 1.00 0.00 WT1 ATOM 3717 OH2 TIP3 3822 6.763 11.632 28.077 1.00 0.00 WT1 ATOM 3718 H1 TIP3 3822 6.456 12.526 27.804 1.00 0.00 WT1 ATOM 3719 H2 TIP3 3822 7.493 11.464 27.457 1.00 0.00 WT1 ATOM 3720 OH2 TIP3 3931 10.926 -9.176 -28.443 1.00 0.00 WT1 ATOM 3721 H1 TIP3 3931 10.734 -8.862 -27.530 1.00 0.00 WT1 ATOM 3722 H2 TIP3 3931 11.262 -10.071 -28.294 1.00 0.00 WT1 ATOM 3723 OH2 TIP3 3933 2.495 -12.232 -24.915 1.00 0.00 WT1 ATOM 3724 H1 TIP3 3933 1.740 -12.561 -24.392 1.00 0.00 WT1 ATOM 3725 H2 TIP3 3933 2.070 -12.053 -25.779 1.00 0.00 WT1 ATOM 3726 OH2 TIP3 3950 2.653 -13.809 28.963 1.00 0.00 WT1 ATOM 3727 H1 TIP3 3950 2.216 -13.872 28.092 1.00 0.00 WT1 ATOM 3728 H2 TIP3 3950 1.921 -13.561 29.563 1.00 0.00 WT1 ATOM 3729 OH2 TIP3 3976 -1.766 -6.875 -21.811 1.00 0.00 WT1 ATOM 3730 H1 TIP3 3976 -1.531 -6.213 -22.491 1.00 0.00 WT1 ATOM 3731 H2 TIP3 3976 -2.692 -6.648 -21.616 1.00 0.00 WT1 ATOM 3732 OH2 TIP3 3985 -0.610 -14.774 25.671 1.00 0.00 WT1 ATOM 3733 H1 TIP3 3985 -0.787 -14.172 24.922 1.00 0.00 WT1 ATOM 3734 H2 TIP3 3985 0.315 -14.547 25.910 1.00 0.00 WT1 ATOM 3735 OH2 TIP3 3989 3.023 -13.656 17.895 1.00 0.00 WT1 ATOM 3736 H1 TIP3 3989 3.922 -13.623 18.279 1.00 0.00 WT1 ATOM 3737 H2 TIP3 3989 2.881 -12.742 17.593 1.00 0.00 WT1 ATOM 3738 OH2 TIP3 3990 -1.142 -12.537 23.965 1.00 0.00 WT1 ATOM 3739 H1 TIP3 3990 -1.042 -11.971 24.762 1.00 0.00 WT1 ATOM 3740 H2 TIP3 3990 -2.008 -12.289 23.625 1.00 0.00 WT1 ATOM 3741 OH2 TIP3 3991 -0.531 -15.407 -20.574 1.00 0.00 WT1 ATOM 3742 H1 TIP3 3991 -1.305 -14.808 -20.665 1.00 0.00 WT1 ATOM 3743 H2 TIP3 3991 -0.827 -16.049 -19.913 1.00 0.00 WT1 ATOM 3744 OH2 TIP3 3995 1.832 -2.762 -18.488 1.00 0.00 WT1 ATOM 3745 H1 TIP3 3995 1.946 -2.453 -19.416 1.00 0.00 WT1 ATOM 3746 H2 TIP3 3995 2.722 -2.612 -18.110 1.00 0.00 WT1 ATOM 3747 OH2 TIP3 4010 14.340 4.419 -26.394 1.00 0.00 WT1 ATOM 3748 H1 TIP3 4010 14.708 5.320 -26.526 1.00 0.00 WT1 ATOM 3749 H2 TIP3 4010 13.429 4.503 -26.757 1.00 0.00 WT1 ATOM 3750 OH2 TIP3 4016 9.492 -3.141 -27.721 1.00 0.00 WT1 ATOM 3751 H1 TIP3 4016 10.136 -3.154 -26.990 1.00 0.00 WT1 ATOM 3752 H2 TIP3 4016 9.081 -4.025 -27.661 1.00 0.00 WT1 ATOM 3753 OH2 TIP3 4017 4.824 -13.252 -23.473 1.00 0.00 WT1 ATOM 3754 H1 TIP3 4017 4.868 -12.937 -22.548 1.00 0.00 WT1 ATOM 3755 H2 TIP3 4017 3.924 -13.014 -23.761 1.00 0.00 WT1 ATOM 3756 OH2 TIP3 4027 -1.540 -8.821 27.564 1.00 0.00 WT1 ATOM 3757 H1 TIP3 4027 -2.373 -8.384 27.828 1.00 0.00 WT1 ATOM 3758 H2 TIP3 4027 -0.988 -8.072 27.258 1.00 0.00 WT1 ATOM 3759 OH2 TIP3 4034 5.815 -10.940 24.220 1.00 0.00 WT1 ATOM 3760 H1 TIP3 4034 5.018 -10.371 24.218 1.00 0.00 WT1 ATOM 3761 H2 TIP3 4034 6.508 -10.331 24.543 1.00 0.00 WT1 ATOM 3762 OH2 TIP3 4035 7.955 -12.082 -29.350 1.00 0.00 WT1 ATOM 3763 H1 TIP3 4035 7.579 -12.626 -28.626 1.00 0.00 WT1 ATOM 3764 H2 TIP3 4035 7.144 -11.816 -29.843 1.00 0.00 WT1 ATOM 3765 OH2 TIP3 4036 9.064 11.390 -18.955 1.00 0.00 WT1 ATOM 3766 H1 TIP3 4036 8.824 11.244 -18.021 1.00 0.00 WT1 ATOM 3767 H2 TIP3 4036 9.457 12.270 -18.948 1.00 0.00 WT1 ATOM 3768 OH2 TIP3 4054 13.141 6.830 -19.908 1.00 0.00 WT1 ATOM 3769 H1 TIP3 4054 13.824 6.142 -20.077 1.00 0.00 WT1 ATOM 3770 H2 TIP3 4054 13.377 7.139 -19.002 1.00 0.00 WT1 ATOM 3771 OH2 TIP3 4074 -10.535 -0.925 -28.739 1.00 0.00 WT1 ATOM 3772 H1 TIP3 4074 -10.885 -0.253 -29.369 1.00 0.00 WT1 ATOM 3773 H2 TIP3 4074 -11.238 -1.589 -28.705 1.00 0.00 WT1 ATOM 3774 OH2 TIP3 4076 7.331 -2.718 -25.511 1.00 0.00 WT1 ATOM 3775 H1 TIP3 4076 7.245 -1.744 -25.623 1.00 0.00 WT1 ATOM 3776 H2 TIP3 4076 8.188 -2.896 -25.929 1.00 0.00 WT1 ATOM 3777 OH2 TIP3 4114 4.095 11.688 25.591 1.00 0.00 WT1 ATOM 3778 H1 TIP3 4114 3.704 12.551 25.845 1.00 0.00 WT1 ATOM 3779 H2 TIP3 4114 3.389 11.047 25.834 1.00 0.00 WT1 ATOM 3780 OH2 TIP3 4117 0.620 3.536 24.766 1.00 0.00 WT1 ATOM 3781 H1 TIP3 4117 1.383 4.151 24.832 1.00 0.00 WT1 ATOM 3782 H2 TIP3 4117 0.747 2.947 25.538 1.00 0.00 WT1 ATOM 3783 OH2 TIP3 4118 3.028 5.109 27.551 1.00 0.00 WT1 ATOM 3784 H1 TIP3 4118 2.868 5.241 26.593 1.00 0.00 WT1 ATOM 3785 H2 TIP3 4118 3.591 4.303 27.551 1.00 0.00 WT1 ATOM 3786 OH2 TIP3 4121 9.773 0.090 -24.778 1.00 0.00 WT1 ATOM 3787 H1 TIP3 4121 9.886 -0.620 -24.129 1.00 0.00 WT1 ATOM 3788 H2 TIP3 4121 8.838 0.013 -25.050 1.00 0.00 WT1 ATOM 3789 OH2 TIP3 4133 4.771 -7.357 22.662 1.00 0.00 WT1 ATOM 3790 H1 TIP3 4133 3.999 -6.750 22.631 1.00 0.00 WT1 ATOM 3791 H2 TIP3 4133 4.430 -8.107 23.176 1.00 0.00 WT1 ATOM 3792 OH2 TIP3 4136 13.157 3.882 29.038 1.00 0.00 WT1 ATOM 3793 H1 TIP3 4136 12.408 3.251 29.091 1.00 0.00 WT1 ATOM 3794 H2 TIP3 4136 13.558 3.796 29.934 1.00 0.00 WT1 ATOM 3795 OH2 TIP3 4139 7.943 8.506 -26.911 1.00 0.00 WT1 ATOM 3796 H1 TIP3 4139 7.222 8.078 -26.404 1.00 0.00 WT1 ATOM 3797 H2 TIP3 4139 7.526 8.676 -27.781 1.00 0.00 WT1 ATOM 3798 OH2 TIP3 4141 2.788 2.866 -28.358 1.00 0.00 WT1 ATOM 3799 H1 TIP3 4141 3.129 2.444 -27.539 1.00 0.00 WT1 ATOM 3800 H2 TIP3 4141 3.599 3.090 -28.844 1.00 0.00 WT1 ATOM 3801 OH2 TIP3 4143 6.566 3.366 -22.616 1.00 0.00 WT1 ATOM 3802 H1 TIP3 4143 7.378 3.750 -22.227 1.00 0.00 WT1 ATOM 3803 H2 TIP3 4143 6.410 2.581 -22.067 1.00 0.00 WT1 ATOM 3804 OH2 TIP3 4155 13.215 5.234 24.055 1.00 0.00 WT1 ATOM 3805 H1 TIP3 4155 12.987 6.055 23.552 1.00 0.00 WT1 ATOM 3806 H2 TIP3 4155 13.133 5.522 24.988 1.00 0.00 WT1 ATOM 3807 OH2 TIP3 4157 7.257 9.630 -29.402 1.00 0.00 WT1 ATOM 3808 H1 TIP3 4157 7.992 9.546 -30.041 1.00 0.00 WT1 ATOM 3809 H2 TIP3 4157 6.506 9.252 -29.905 1.00 0.00 WT1 ATOM 3810 OH2 TIP3 4160 -1.418 5.217 23.788 1.00 0.00 WT1 ATOM 3811 H1 TIP3 4160 -1.632 5.825 24.521 1.00 0.00 WT1 ATOM 3812 H2 TIP3 4160 -0.728 4.643 24.177 1.00 0.00 WT1 ATOM 3813 OH2 TIP3 4174 -2.325 11.610 25.457 1.00 0.00 WT1 ATOM 3814 H1 TIP3 4174 -2.091 11.891 26.372 1.00 0.00 WT1 ATOM 3815 H2 TIP3 4174 -1.591 11.957 24.938 1.00 0.00 WT1 ATOM 3816 OH2 TIP3 4177 11.019 3.846 25.994 1.00 0.00 WT1 ATOM 3817 H1 TIP3 4177 11.585 3.299 25.412 1.00 0.00 WT1 ATOM 3818 H2 TIP3 4177 11.670 4.442 26.421 1.00 0.00 WT1 ATOM 3819 OH2 TIP3 4186 8.906 4.125 -21.352 1.00 0.00 WT1 ATOM 3820 H1 TIP3 4186 8.802 4.879 -20.725 1.00 0.00 WT1 ATOM 3821 H2 TIP3 4186 9.720 4.373 -21.856 1.00 0.00 WT1 ATOM 3822 OH2 TIP3 4196 12.940 5.680 26.782 1.00 0.00 WT1 ATOM 3823 H1 TIP3 4196 13.124 6.634 26.876 1.00 0.00 WT1 ATOM 3824 H2 TIP3 4196 13.218 5.306 27.638 1.00 0.00 WT1 ATOM 3825 OH2 TIP3 4202 5.052 5.005 -26.280 1.00 0.00 WT1 ATOM 3826 H1 TIP3 4202 5.347 4.160 -25.884 1.00 0.00 WT1 ATOM 3827 H2 TIP3 4202 4.076 4.956 -26.179 1.00 0.00 WT1 ATOM 3828 OH2 TIP3 4204 3.193 8.090 21.652 1.00 0.00 WT1 ATOM 3829 H1 TIP3 4204 3.910 8.470 21.094 1.00 0.00 WT1 ATOM 3830 H2 TIP3 4204 3.521 7.196 21.863 1.00 0.00 WT1 ATOM 3831 OH2 TIP3 4221 12.293 5.631 17.579 1.00 0.00 WT1 ATOM 3832 H1 TIP3 4221 13.233 5.763 17.320 1.00 0.00 WT1 ATOM 3833 H2 TIP3 4221 12.153 4.685 17.436 1.00 0.00 WT1 ATOM 3834 OH2 TIP3 4263 1.179 13.314 28.205 1.00 0.00 WT1 ATOM 3835 H1 TIP3 4263 0.301 12.999 27.919 1.00 0.00 WT1 ATOM 3836 H2 TIP3 4263 1.195 13.051 29.149 1.00 0.00 WT1 ATOM 3837 OH2 TIP3 4287 -7.258 11.978 -22.697 1.00 0.00 WT1 ATOM 3838 H1 TIP3 4287 -6.626 12.701 -22.882 1.00 0.00 WT1 ATOM 3839 H2 TIP3 4287 -7.897 12.393 -22.097 1.00 0.00 WT1 ATOM 3840 OH2 TIP3 4347 4.594 -11.895 28.768 1.00 0.00 WT1 ATOM 3841 H1 TIP3 4347 3.929 -12.585 28.985 1.00 0.00 WT1 ATOM 3842 H2 TIP3 4347 4.933 -12.206 27.896 1.00 0.00 WT1 ATOM 3843 OH2 TIP3 4394 4.635 -10.966 -26.109 1.00 0.00 WT1 ATOM 3844 H1 TIP3 4394 5.501 -11.207 -25.715 1.00 0.00 WT1 ATOM 3845 H2 TIP3 4394 3.995 -11.426 -25.528 1.00 0.00 WT1 ATOM 3846 OH2 TIP3 4479 13.095 -6.507 -23.317 1.00 0.00 WT1 ATOM 3847 H1 TIP3 4479 12.723 -7.109 -22.630 1.00 0.00 WT1 ATOM 3848 H2 TIP3 4479 13.956 -6.924 -23.523 1.00 0.00 WT1 ATOM 3849 OH2 TIP3 4480 3.184 0.396 -17.644 1.00 0.00 WT1 ATOM 3850 H1 TIP3 4480 2.225 0.403 -17.442 1.00 0.00 WT1 ATOM 3851 H2 TIP3 4480 3.448 -0.518 -17.439 1.00 0.00 WT1 ATOM 3852 OH2 TIP3 4496 13.203 3.202 -24.071 1.00 0.00 WT1 ATOM 3853 H1 TIP3 4496 13.261 2.278 -24.407 1.00 0.00 WT1 ATOM 3854 H2 TIP3 4496 13.493 3.720 -24.839 1.00 0.00 WT1 ATOM 3855 OH2 TIP3 4511 6.410 2.565 18.674 1.00 0.00 WT1 ATOM 3856 H1 TIP3 4511 6.405 1.674 18.295 1.00 0.00 WT1 ATOM 3857 H2 TIP3 4511 7.243 2.942 18.301 1.00 0.00 WT1 ATOM 3858 OH2 TIP3 4516 5.949 6.726 -28.184 1.00 0.00 WT1 ATOM 3859 H1 TIP3 4516 6.428 6.330 -28.942 1.00 0.00 WT1 ATOM 3860 H2 TIP3 4516 5.661 5.944 -27.669 1.00 0.00 WT1 ATOM 3861 OH2 TIP3 4536 13.140 0.921 -28.020 1.00 0.00 WT1 ATOM 3862 H1 TIP3 4536 12.816 0.961 -28.954 1.00 0.00 WT1 ATOM 3863 H2 TIP3 4536 13.954 1.467 -28.060 1.00 0.00 WT1 ATOM 3864 OH2 TIP3 4537 2.416 4.900 -25.611 1.00 0.00 WT1 ATOM 3865 H1 TIP3 4537 1.629 4.573 -26.091 1.00 0.00 WT1 ATOM 3866 H2 TIP3 4537 2.346 4.464 -24.739 1.00 0.00 WT1 ATOM 3867 OH2 TIP3 4538 12.069 4.821 -30.017 1.00 0.00 WT1 ATOM 3868 H1 TIP3 4538 12.081 4.622 -29.056 1.00 0.00 WT1 ATOM 3869 H2 TIP3 4538 13.009 5.051 -30.201 1.00 0.00 WT1 ATOM 3870 OH2 TIP3 4553 3.615 5.287 -29.976 1.00 0.00 WT1 ATOM 3871 H1 TIP3 4553 3.666 5.789 -30.813 1.00 0.00 WT1 ATOM 3872 H2 TIP3 4553 2.997 5.822 -29.449 1.00 0.00 WT1 ATOM 3873 OH2 TIP3 4557 12.715 2.532 24.300 1.00 0.00 WT1 ATOM 3874 H1 TIP3 4557 12.487 2.325 23.368 1.00 0.00 WT1 ATOM 3875 H2 TIP3 4557 13.071 3.443 24.219 1.00 0.00 WT1 ATOM 3876 OH2 TIP3 4559 -3.497 3.783 -30.466 1.00 0.00 WT1 ATOM 3877 H1 TIP3 4559 -2.909 3.519 -29.730 1.00 0.00 WT1 ATOM 3878 H2 TIP3 4559 -2.938 4.408 -30.972 1.00 0.00 WT1 ATOM 3879 OH2 TIP3 4569 13.276 -1.811 -22.791 1.00 0.00 WT1 ATOM 3880 H1 TIP3 4569 14.010 -1.181 -22.627 1.00 0.00 WT1 ATOM 3881 H2 TIP3 4569 13.329 -1.952 -23.761 1.00 0.00 WT1 ATOM 3882 OH2 TIP3 4576 7.119 2.915 27.732 1.00 0.00 WT1 ATOM 3883 H1 TIP3 4576 7.145 3.890 27.601 1.00 0.00 WT1 ATOM 3884 H2 TIP3 4576 7.803 2.593 27.114 1.00 0.00 WT1 ATOM 3885 OH2 TIP3 4578 4.246 8.677 -27.490 1.00 0.00 WT1 ATOM 3886 H1 TIP3 4578 3.496 8.103 -27.274 1.00 0.00 WT1 ATOM 3887 H2 TIP3 4578 4.947 8.024 -27.731 1.00 0.00 WT1 ATOM 3888 OH2 TIP3 4640 -2.091 15.238 27.990 1.00 0.00 WT1 ATOM 3889 H1 TIP3 4640 -1.302 15.748 27.695 1.00 0.00 WT1 ATOM 3890 H2 TIP3 4640 -2.479 15.808 28.675 1.00 0.00 WT1 ATOM 3891 OH2 TIP3 4849 -2.163 -9.795 -27.705 1.00 0.00 WT1 ATOM 3892 H1 TIP3 4849 -2.636 -10.296 -28.402 1.00 0.00 WT1 ATOM 3893 H2 TIP3 4849 -1.301 -9.609 -28.114 1.00 0.00 WT1 ATOM 3894 OH2 TIP3 4857 2.387 -7.087 -19.834 1.00 0.00 WT1 ATOM 3895 H1 TIP3 4857 2.048 -6.606 -19.050 1.00 0.00 WT1 ATOM 3896 H2 TIP3 4857 3.211 -7.519 -19.485 1.00 0.00 WT1 ATOM 3897 OH2 TIP3 4873 7.655 -0.795 28.616 1.00 0.00 WT1 ATOM 3898 H1 TIP3 4873 8.536 -0.484 28.860 1.00 0.00 WT1 ATOM 3899 H2 TIP3 4873 7.336 -1.219 29.437 1.00 0.00 WT1 ATOM 3900 OH2 TIP3 4895 10.053 -3.532 24.577 1.00 0.00 WT1 ATOM 3901 H1 TIP3 4895 9.191 -3.067 24.592 1.00 0.00 WT1 ATOM 3902 H2 TIP3 4895 10.463 -3.259 25.417 1.00 0.00 WT1 ATOM 3903 OH2 TIP3 4899 8.486 -11.191 -19.815 1.00 0.00 WT1 ATOM 3904 H1 TIP3 4899 8.245 -11.996 -19.318 1.00 0.00 WT1 ATOM 3905 H2 TIP3 4899 7.633 -10.695 -19.835 1.00 0.00 WT1 ATOM 3906 OH2 TIP3 4922 10.493 -2.040 -22.627 1.00 0.00 WT1 ATOM 3907 H1 TIP3 4922 11.459 -1.880 -22.559 1.00 0.00 WT1 ATOM 3908 H2 TIP3 4922 10.271 -2.403 -21.749 1.00 0.00 WT1 ATOM 3909 OH2 TIP3 4943 7.852 -6.302 26.059 1.00 0.00 WT1 ATOM 3910 H1 TIP3 4943 8.653 -6.212 26.603 1.00 0.00 WT1 ATOM 3911 H2 TIP3 4943 8.188 -6.118 25.150 1.00 0.00 WT1 ATOM 3912 OH2 TIP3 4958 10.864 -0.126 26.840 1.00 0.00 WT1 ATOM 3913 H1 TIP3 4958 11.765 0.210 26.674 1.00 0.00 WT1 ATOM 3914 H2 TIP3 4958 10.293 0.587 26.504 1.00 0.00 WT1 ATOM 3915 OH2 TIP3 4974 11.018 7.942 18.403 1.00 0.00 WT1 ATOM 3916 H1 TIP3 4974 11.515 7.118 18.202 1.00 0.00 WT1 ATOM 3917 H2 TIP3 4974 10.870 8.315 17.513 1.00 0.00 WT1 ATOM 3918 OH2 TIP3 4975 12.839 7.356 22.412 1.00 0.00 WT1 ATOM 3919 H1 TIP3 4975 13.733 7.721 22.272 1.00 0.00 WT1 ATOM 3920 H2 TIP3 4975 12.261 7.956 21.892 1.00 0.00 WT1 ATOM 3921 OH2 TIP3 4976 7.536 -2.419 24.838 1.00 0.00 WT1 ATOM 3922 H1 TIP3 4976 7.430 -1.545 25.270 1.00 0.00 WT1 ATOM 3923 H2 TIP3 4976 7.093 -3.024 25.468 1.00 0.00 WT1 ATOM 3924 OH2 TIP3 4977 9.901 6.427 25.801 1.00 0.00 WT1 ATOM 3925 H1 TIP3 4977 9.850 6.364 26.779 1.00 0.00 WT1 ATOM 3926 H2 TIP3 4977 10.264 5.555 25.566 1.00 0.00 WT1 ATOM 3927 OH2 TIP3 4981 2.383 -1.617 -20.927 1.00 0.00 WT1 ATOM 3928 H1 TIP3 4981 2.375 -2.097 -21.781 1.00 0.00 WT1 ATOM 3929 H2 TIP3 4981 1.881 -0.801 -21.138 1.00 0.00 WT1 ATOM 3930 OH2 TIP3 4982 11.251 4.583 -22.645 1.00 0.00 WT1 ATOM 3931 H1 TIP3 4982 11.690 5.456 -22.701 1.00 0.00 WT1 ATOM 3932 H2 TIP3 4982 11.878 4.005 -23.125 1.00 0.00 WT1 ATOM 3933 OH2 TIP3 4997 11.084 -7.285 19.242 1.00 0.00 WT1 ATOM 3934 H1 TIP3 4997 11.288 -6.512 18.707 1.00 0.00 WT1 ATOM 3935 H2 TIP3 4997 10.136 -7.118 19.471 1.00 0.00 WT1 ATOM 3936 OH2 TIP3 5001 14.883 2.543 -21.960 1.00 0.00 WT1 ATOM 3937 H1 TIP3 5001 14.969 3.343 -21.412 1.00 0.00 WT1 ATOM 3938 H2 TIP3 5001 14.276 2.835 -22.668 1.00 0.00 WT1 ATOM 3939 OH2 TIP3 5005 -14.446 -0.091 -22.594 1.00 0.00 WT1 ATOM 3940 H1 TIP3 5005 -14.242 0.082 -23.530 1.00 0.00 WT1 ATOM 3941 H2 TIP3 5005 -14.663 0.804 -22.251 1.00 0.00 WT1 ATOM 3942 OH2 TIP3 5015 10.593 -8.068 23.087 1.00 0.00 WT1 ATOM 3943 H1 TIP3 5015 11.340 -8.354 22.530 1.00 0.00 WT1 ATOM 3944 H2 TIP3 5015 9.834 -8.537 22.696 1.00 0.00 WT1 ATOM 3945 OH2 TIP3 5017 -14.649 -4.715 23.579 1.00 0.00 WT1 ATOM 3946 H1 TIP3 5017 -15.599 -4.861 23.517 1.00 0.00 WT1 ATOM 3947 H2 TIP3 5017 -14.358 -4.787 22.643 1.00 0.00 WT1 ATOM 3948 OH2 TIP3 5022 3.744 7.797 28.008 1.00 0.00 WT1 ATOM 3949 H1 TIP3 5022 3.357 8.060 28.868 1.00 0.00 WT1 ATOM 3950 H2 TIP3 5022 3.457 6.864 27.906 1.00 0.00 WT1 ATOM 3951 OH2 TIP3 5039 4.442 2.757 27.298 1.00 0.00 WT1 ATOM 3952 H1 TIP3 5039 4.471 2.190 26.499 1.00 0.00 WT1 ATOM 3953 H2 TIP3 5039 5.388 2.793 27.564 1.00 0.00 WT1 ATOM 3954 OH2 TIP3 5041 13.080 -5.981 28.043 1.00 0.00 WT1 ATOM 3955 H1 TIP3 5041 14.000 -6.276 27.882 1.00 0.00 WT1 ATOM 3956 H2 TIP3 5041 13.094 -5.761 28.996 1.00 0.00 WT1 ATOM 3957 OH2 TIP3 5044 13.382 9.169 -26.419 1.00 0.00 WT1 ATOM 3958 H1 TIP3 5044 14.057 9.868 -26.305 1.00 0.00 WT1 ATOM 3959 H2 TIP3 5044 12.687 9.453 -25.786 1.00 0.00 WT1 ATOM 3960 OH2 TIP3 5088 13.667 7.714 -17.390 1.00 0.00 WT1 ATOM 3961 H1 TIP3 5088 12.976 7.503 -16.758 1.00 0.00 WT1 ATOM 3962 H2 TIP3 5088 14.234 8.341 -16.883 1.00 0.00 WT1 ATOM 3963 OH2 TIP3 5105 14.749 4.196 22.063 1.00 0.00 WT1 ATOM 3964 H1 TIP3 5105 14.205 4.650 22.745 1.00 0.00 WT1 ATOM 3965 H2 TIP3 5105 15.429 4.855 21.860 1.00 0.00 WT1 ATOM 3966 OH2 TIP3 5133 8.603 11.219 -23.056 1.00 0.00 WT1 ATOM 3967 H1 TIP3 5133 8.594 10.657 -22.266 1.00 0.00 WT1 ATOM 3968 H2 TIP3 5133 7.804 10.925 -23.536 1.00 0.00 WT1 ATOM 3969 OH2 TIP3 5286 4.805 0.962 25.219 1.00 0.00 WT1 ATOM 3970 H1 TIP3 5286 5.664 0.580 25.513 1.00 0.00 WT1 ATOM 3971 H2 TIP3 5286 4.981 1.182 24.284 1.00 0.00 WT1 ATOM 3972 OH2 TIP3 5333 5.034 -12.649 22.205 1.00 0.00 WT1 ATOM 3973 H1 TIP3 5333 5.358 -12.069 22.924 1.00 0.00 WT1 ATOM 3974 H2 TIP3 5333 5.821 -12.782 21.652 1.00 0.00 WT1 ATOM 3975 OH2 TIP3 5334 13.851 -8.684 24.693 1.00 0.00 WT1 ATOM 3976 H1 TIP3 5334 13.997 -9.082 25.566 1.00 0.00 WT1 ATOM 3977 H2 TIP3 5334 13.412 -9.403 24.193 1.00 0.00 WT1 ATOM 3978 OH2 TIP3 5341 1.644 -5.026 -21.503 1.00 0.00 WT1 ATOM 3979 H1 TIP3 5341 1.960 -5.623 -20.800 1.00 0.00 WT1 ATOM 3980 H2 TIP3 5341 1.962 -5.475 -22.307 1.00 0.00 WT1 ATOM 3981 OH2 TIP3 5358 12.374 1.049 -30.604 1.00 0.00 WT1 ATOM 3982 H1 TIP3 5358 11.618 1.626 -30.839 1.00 0.00 WT1 ATOM 3983 H2 TIP3 5358 12.450 0.472 -31.386 1.00 0.00 WT1 ATOM 3984 OH2 TIP3 5378 10.585 -6.118 -24.414 1.00 0.00 WT1 ATOM 3985 H1 TIP3 5378 10.582 -5.211 -24.786 1.00 0.00 WT1 ATOM 3986 H2 TIP3 5378 11.511 -6.212 -24.095 1.00 0.00 WT1 ATOM 3987 OH2 TIP3 5393 5.126 2.987 -30.116 1.00 0.00 WT1 ATOM 3988 H1 TIP3 5393 4.775 3.906 -30.080 1.00 0.00 WT1 ATOM 3989 H2 TIP3 5393 4.716 2.648 -30.944 1.00 0.00 WT1 ATOM 3990 OH2 TIP3 5396 13.620 -8.465 -30.281 1.00 0.00 WT1 ATOM 3991 H1 TIP3 5396 12.937 -7.798 -30.081 1.00 0.00 WT1 ATOM 3992 H2 TIP3 5396 14.188 -8.001 -30.918 1.00 0.00 WT1 ATOM 3993 OH2 TIP3 5404 8.116 -5.494 -27.154 1.00 0.00 WT1 ATOM 3994 H1 TIP3 5404 8.423 -6.263 -26.655 1.00 0.00 WT1 ATOM 3995 H2 TIP3 5404 7.196 -5.371 -26.842 1.00 0.00 WT1 ATOM 3996 OH2 TIP3 5418 7.503 5.902 -30.256 1.00 0.00 WT1 ATOM 3997 H1 TIP3 5418 8.416 6.211 -30.111 1.00 0.00 WT1 ATOM 3998 H2 TIP3 5418 7.265 6.321 -31.103 1.00 0.00 WT1 ATOM 3999 OH2 TIP3 5443 -0.462 16.652 -20.775 1.00 0.00 WT1 ATOM 4000 H1 TIP3 5443 0.328 17.156 -20.487 1.00 0.00 WT1 ATOM 4001 H2 TIP3 5443 -0.846 16.347 -19.919 1.00 0.00 WT1 ATOM 4002 OH2 TIP3 5444 11.717 4.401 -27.293 1.00 0.00 WT1 ATOM 4003 H1 TIP3 5444 10.939 4.963 -27.099 1.00 0.00 WT1 ATOM 4004 H2 TIP3 5444 11.401 3.512 -27.017 1.00 0.00 WT1 ATOM 4005 OH2 TIP3 5462 10.117 6.719 -29.745 1.00 0.00 WT1 ATOM 4006 H1 TIP3 5462 10.771 6.035 -30.001 1.00 0.00 WT1 ATOM 4007 H2 TIP3 5462 10.676 7.363 -29.249 1.00 0.00 WT1 ATOM 4008 OH2 TIP3 5463 6.014 7.419 -25.240 1.00 0.00 WT1 ATOM 4009 H1 TIP3 5463 5.948 6.504 -25.578 1.00 0.00 WT1 ATOM 4010 H2 TIP3 5463 5.081 7.612 -25.023 1.00 0.00 WT1 ATOM 4011 OH2 TIP3 5466 13.422 -1.811 -27.944 1.00 0.00 WT1 ATOM 4012 H1 TIP3 5466 14.237 -1.916 -28.481 1.00 0.00 WT1 ATOM 4013 H2 TIP3 5466 13.266 -0.846 -27.969 1.00 0.00 WT1 ATOM 4014 OH2 TIP3 5519 -14.458 7.812 22.355 1.00 0.00 WT1 ATOM 4015 H1 TIP3 5519 -14.099 8.397 21.663 1.00 0.00 WT1 ATOM 4016 H2 TIP3 5519 -13.830 7.061 22.354 1.00 0.00 WT1 ATOM 4017 OH2 TIP3 5733 10.917 -2.867 27.195 1.00 0.00 WT1 ATOM 4018 H1 TIP3 5733 11.499 -2.865 27.976 1.00 0.00 WT1 ATOM 4019 H2 TIP3 5733 10.787 -1.905 27.035 1.00 0.00 WT1 ATOM 4020 OH2 TIP3 5795 12.067 -8.190 -21.451 1.00 0.00 WT1 ATOM 4021 H1 TIP3 5795 11.406 -8.903 -21.531 1.00 0.00 WT1 ATOM 4022 H2 TIP3 5795 12.853 -8.647 -21.095 1.00 0.00 WT1 ATOM 4023 OH2 TIP3 5821 14.181 -4.313 -22.003 1.00 0.00 WT1 ATOM 4024 H1 TIP3 5821 13.618 -4.946 -22.497 1.00 0.00 WT1 ATOM 4025 H2 TIP3 5821 13.790 -3.441 -22.227 1.00 0.00 WT1 ATOM 4026 OH2 TIP3 5839 14.074 -2.894 31.970 1.00 0.00 WT1 ATOM 4027 H1 TIP3 5839 13.308 -3.008 32.569 1.00 0.00 WT1 ATOM 4028 H2 TIP3 5839 13.671 -2.818 31.092 1.00 0.00 WT1 ATOM 4029 OH2 TIP3 5860 10.766 -3.421 -25.138 1.00 0.00 WT1 ATOM 4030 H1 TIP3 5860 10.542 -2.948 -24.313 1.00 0.00 WT1 ATOM 4031 H2 TIP3 5860 11.722 -3.216 -25.247 1.00 0.00 WT1 ATOM 4032 OH2 TIP3 5898 9.052 1.966 25.940 1.00 0.00 WT1 ATOM 4033 H1 TIP3 5898 9.700 2.701 26.028 1.00 0.00 WT1 ATOM 4034 H2 TIP3 5898 8.751 2.060 25.002 1.00 0.00 WT1 ATOM 4035 OH2 TIP3 5899 3.257 7.364 -24.735 1.00 0.00 WT1 ATOM 4036 H1 TIP3 5899 2.996 6.458 -25.004 1.00 0.00 WT1 ATOM 4037 H2 TIP3 5899 2.542 7.900 -25.133 1.00 0.00 WT1 ATOM 4038 OH2 TIP3 5900 12.353 2.686 21.591 1.00 0.00 WT1 ATOM 4039 H1 TIP3 5900 11.846 2.624 20.749 1.00 0.00 WT1 ATOM 4040 H2 TIP3 5900 13.073 3.304 21.375 1.00 0.00 WT1 ATOM 4041 OH2 TIP3 5901 2.626 -2.452 -23.595 1.00 0.00 WT1 ATOM 4042 H1 TIP3 5901 2.097 -3.164 -24.017 1.00 0.00 WT1 ATOM 4043 H2 TIP3 5901 3.545 -2.777 -23.679 1.00 0.00 WT1 ATOM 4044 OH2 TIP3 6220 13.821 0.861 -25.292 1.00 0.00 WT1 ATOM 4045 H1 TIP3 6220 13.563 0.672 -26.209 1.00 0.00 WT1 ATOM 4046 H2 TIP3 6220 14.795 0.769 -25.306 1.00 0.00 WT1 ATOM 4047 OH2 TIP3 6241 10.771 1.891 -26.646 1.00 0.00 WT1 ATOM 4048 H1 TIP3 6241 11.498 1.410 -27.082 1.00 0.00 WT1 ATOM 4049 H2 TIP3 6241 10.505 1.274 -25.927 1.00 0.00 WT1 ATOM 4050 OH2 TIP3 6300 9.204 5.724 -27.242 1.00 0.00 WT1 ATOM 4051 H1 TIP3 6300 8.825 6.506 -26.808 1.00 0.00 WT1 ATOM 4052 H2 TIP3 6300 9.302 6.023 -28.163 1.00 0.00 WT1 ATOM 4053 OH2 TIP3 6346 14.466 -1.301 28.014 1.00 0.00 WT1 ATOM 4054 H1 TIP3 6346 13.748 -1.753 28.500 1.00 0.00 WT1 ATOM 4055 H2 TIP3 6346 13.982 -0.735 27.381 1.00 0.00 WT1 ATOM 4056 OH2 TIP3 6492 11.493 9.394 -22.181 1.00 0.00 WT1 ATOM 4057 H1 TIP3 6492 11.725 10.244 -21.764 1.00 0.00 WT1 ATOM 4058 H2 TIP3 6492 11.094 8.885 -21.444 1.00 0.00 WT1 ATOM 4059 OH2 TIP3 6726 -0.727 -1.918 -17.782 1.00 0.00 WT1 ATOM 4060 H1 TIP3 6726 0.207 -2.167 -17.941 1.00 0.00 WT1 ATOM 4061 H2 TIP3 6726 -1.197 -2.668 -18.203 1.00 0.00 WT1 ATOM 4062 OH2 TIP3 6813 -14.291 -5.123 -19.904 1.00 0.00 WT1 ATOM 4063 H1 TIP3 6813 -14.884 -4.817 -20.628 1.00 0.00 WT1 ATOM 4064 H2 TIP3 6813 -14.751 -4.829 -19.111 1.00 0.00 WT1 ATOM 4065 OH2 TIP3 6845 9.681 6.263 28.506 1.00 0.00 WT1 ATOM 4066 H1 TIP3 6845 10.248 5.945 29.239 1.00 0.00 WT1 ATOM 4067 H2 TIP3 6845 9.519 7.198 28.748 1.00 0.00 WT1 ATOM 4068 OH2 TIP3 7078 13.670 3.319 31.630 1.00 0.00 WT1 ATOM 4069 H1 TIP3 7078 14.272 2.551 31.543 1.00 0.00 WT1 ATOM 4070 H2 TIP3 7078 13.189 3.122 32.443 1.00 0.00 WT1 ATOM 4071 OH2 TIP3 7141 -2.131 4.089 -21.468 1.00 0.00 WT1 ATOM 4072 H1 TIP3 7141 -2.307 3.134 -21.508 1.00 0.00 WT1 ATOM 4073 H2 TIP3 7141 -1.164 4.141 -21.587 1.00 0.00 WT1 ATOM 4074 OH2 TIP3 7510 -14.300 -7.540 -23.656 1.00 0.00 WT1 ATOM 4075 H1 TIP3 7510 -13.919 -6.639 -23.597 1.00 0.00 WT1 ATOM 4076 H2 TIP3 7510 -13.582 -8.091 -23.288 1.00 0.00 WT1 ATOM 4077 OH2 TIP3 7537 -13.648 -7.055 19.028 1.00 0.00 WT1 ATOM 4078 H1 TIP3 7537 -13.853 -8.002 18.824 1.00 0.00 WT1 ATOM 4079 H2 TIP3 7537 -14.121 -6.596 18.327 1.00 0.00 WT1 ATOM 4080 OH2 TIP3 7563 -11.485 -0.151 -22.011 1.00 0.00 WT1 ATOM 4081 H1 TIP3 7563 -11.545 0.678 -22.528 1.00 0.00 WT1 ATOM 4082 H2 TIP3 7563 -12.404 -0.470 -22.027 1.00 0.00 WT1 ATOM 4083 OH2 TIP3 7605 -11.881 5.817 -25.676 1.00 0.00 WT1 ATOM 4084 H1 TIP3 7605 -11.206 6.270 -25.124 1.00 0.00 WT1 ATOM 4085 H2 TIP3 7605 -11.337 5.310 -26.309 1.00 0.00 WT1 ATOM 4086 OH2 TIP3 7650 0.433 -16.448 -31.206 1.00 0.00 WT1 ATOM 4087 H1 TIP3 7650 -0.058 -16.934 -30.516 1.00 0.00 WT1 ATOM 4088 H2 TIP3 7650 1.243 -16.990 -31.311 1.00 0.00 WT1 ATOM 4089 OH2 TIP3 7668 12.657 6.971 -22.624 1.00 0.00 WT1 ATOM 4090 H1 TIP3 7668 12.188 7.829 -22.673 1.00 0.00 WT1 ATOM 4091 H2 TIP3 7668 12.861 6.898 -21.668 1.00 0.00 WT1 ATOM 4092 OH2 TIP3 7690 14.707 5.582 -30.219 1.00 0.00 WT1 ATOM 4093 H1 TIP3 7690 15.569 5.296 -29.897 1.00 0.00 WT1 ATOM 4094 H2 TIP3 7690 14.628 6.499 -29.874 1.00 0.00 WT1 ATOM 4095 OH2 TIP3 7716 -11.205 10.630 -26.264 1.00 0.00 WT1 ATOM 4096 H1 TIP3 7716 -11.107 11.397 -26.864 1.00 0.00 WT1 ATOM 4097 H2 TIP3 7716 -10.963 9.872 -26.836 1.00 0.00 WT1 ATOM 4098 OH2 TIP3 8024 -14.295 6.827 -26.569 1.00 0.00 WT1 ATOM 4099 H1 TIP3 8024 -13.416 6.577 -26.210 1.00 0.00 WT1 ATOM 4100 H2 TIP3 8024 -14.700 7.302 -25.812 1.00 0.00 WT1 ATOM 4101 OH2 TIP3 8064 -14.500 2.359 -27.926 1.00 0.00 WT1 ATOM 4102 H1 TIP3 8064 -14.854 3.096 -27.387 1.00 0.00 WT1 ATOM 4103 H2 TIP3 8064 -13.563 2.308 -27.633 1.00 0.00 WT1 ATOM 4104 OH2 TIP3 8082 -11.496 -7.595 21.001 1.00 0.00 WT1 ATOM 4105 H1 TIP3 8082 -12.216 -7.446 20.361 1.00 0.00 WT1 ATOM 4106 H2 TIP3 8082 -11.127 -6.697 21.134 1.00 0.00 WT1 ATOM 4107 OH2 TIP3 8420 -9.757 -4.337 23.909 1.00 0.00 WT1 ATOM 4108 H1 TIP3 8420 -9.559 -4.736 24.774 1.00 0.00 WT1 ATOM 4109 H2 TIP3 8420 -10.212 -3.500 24.157 1.00 0.00 WT1 ATOM 4110 OH2 TIP3 8437 -5.706 -3.863 17.944 1.00 0.00 WT1 ATOM 4111 H1 TIP3 8437 -5.708 -4.462 17.193 1.00 0.00 WT1 ATOM 4112 H2 TIP3 8437 -6.641 -3.541 17.966 1.00 0.00 WT1 ATOM 4113 OH2 TIP3 8441 -11.732 2.250 -23.379 1.00 0.00 WT1 ATOM 4114 H1 TIP3 8441 -11.178 2.824 -22.802 1.00 0.00 WT1 ATOM 4115 H2 TIP3 8441 -12.430 2.879 -23.669 1.00 0.00 WT1 ATOM 4116 OH2 TIP3 8443 -7.917 8.592 25.892 1.00 0.00 WT1 ATOM 4117 H1 TIP3 8443 -7.435 8.424 26.727 1.00 0.00 WT1 ATOM 4118 H2 TIP3 8443 -7.208 8.567 25.216 1.00 0.00 WT1 ATOM 4119 OH2 TIP3 8466 -13.801 -4.642 -29.464 1.00 0.00 WT1 ATOM 4120 H1 TIP3 8466 -14.082 -3.704 -29.530 1.00 0.00 WT1 ATOM 4121 H2 TIP3 8466 -14.095 -4.892 -28.554 1.00 0.00 WT1 ATOM 4122 OH2 TIP3 8467 -9.183 -11.959 27.228 1.00 0.00 WT1 ATOM 4123 H1 TIP3 8467 -8.577 -11.352 26.749 1.00 0.00 WT1 ATOM 4124 H2 TIP3 8467 -10.040 -11.842 26.765 1.00 0.00 WT1 ATOM 4125 OH2 TIP3 8548 -5.561 -3.269 -30.862 1.00 0.00 WT1 ATOM 4126 H1 TIP3 8548 -5.329 -3.592 -31.744 1.00 0.00 WT1 ATOM 4127 H2 TIP3 8548 -6.422 -3.699 -30.704 1.00 0.00 WT1 ATOM 4128 OH2 TIP3 8760 -5.431 0.851 -29.372 1.00 0.00 WT1 ATOM 4129 H1 TIP3 8760 -5.487 -0.025 -28.937 1.00 0.00 WT1 ATOM 4130 H2 TIP3 8760 -6.210 0.840 -29.970 1.00 0.00 WT1 ATOM 4131 OH2 TIP3 8801 -9.599 -3.760 -27.040 1.00 0.00 WT1 ATOM 4132 H1 TIP3 8801 -9.602 -4.638 -26.614 1.00 0.00 WT1 ATOM 4133 H2 TIP3 8801 -10.075 -3.920 -27.886 1.00 0.00 WT1 ATOM 4134 OH2 TIP3 8857 10.555 11.326 19.163 1.00 0.00 WT1 ATOM 4135 H1 TIP3 8857 9.975 10.790 18.612 1.00 0.00 WT1 ATOM 4136 H2 TIP3 8857 11.393 11.325 18.679 1.00 0.00 WT1 ATOM 4137 OH2 TIP3 8865 -7.398 3.601 -31.082 1.00 0.00 WT1 ATOM 4138 H1 TIP3 8865 -7.652 2.655 -31.082 1.00 0.00 WT1 ATOM 4139 H2 TIP3 8865 -6.998 3.716 -30.202 1.00 0.00 WT1 ATOM 4140 OH2 TIP3 8886 9.686 -2.174 -30.448 1.00 0.00 WT1 ATOM 4141 H1 TIP3 8886 9.411 -2.359 -29.526 1.00 0.00 WT1 ATOM 4142 H2 TIP3 8886 9.161 -1.388 -30.688 1.00 0.00 WT1 ATOM 4143 OH2 TIP3 8902 -14.309 -6.754 27.805 1.00 0.00 WT1 ATOM 4144 H1 TIP3 8902 -14.129 -6.660 26.844 1.00 0.00 WT1 ATOM 4145 H2 TIP3 8902 -13.601 -6.216 28.217 1.00 0.00 WT1 ATOM 4146 OH2 TIP3 8905 -11.063 -4.183 -29.337 1.00 0.00 WT1 ATOM 4147 H1 TIP3 8905 -12.032 -4.306 -29.308 1.00 0.00 WT1 ATOM 4148 H2 TIP3 8905 -10.796 -4.836 -30.013 1.00 0.00 WT1 ATOM 4149 OH2 TIP3 8926 -8.954 6.926 -29.468 1.00 0.00 WT1 ATOM 4150 H1 TIP3 8926 -9.027 6.398 -30.287 1.00 0.00 WT1 ATOM 4151 H2 TIP3 8926 -8.406 6.349 -28.890 1.00 0.00 WT1 ATOM 4152 OH2 TIP3 8927 1.203 -14.886 -28.971 1.00 0.00 WT1 ATOM 4153 H1 TIP3 8927 1.601 -14.036 -29.246 1.00 0.00 WT1 ATOM 4154 H2 TIP3 8927 0.889 -15.258 -29.815 1.00 0.00 WT1 ATOM 4155 OH2 TIP3 8931 -11.879 -7.261 -17.802 1.00 0.00 WT1 ATOM 4156 H1 TIP3 8931 -12.187 -7.382 -16.899 1.00 0.00 WT1 ATOM 4157 H2 TIP3 8931 -11.079 -6.713 -17.691 1.00 0.00 WT1 ATOM 4158 OH2 TIP3 8932 -6.496 -1.300 -21.232 1.00 0.00 WT1 ATOM 4159 H1 TIP3 8932 -6.485 -0.341 -21.398 1.00 0.00 WT1 ATOM 4160 H2 TIP3 8932 -6.108 -1.370 -20.328 1.00 0.00 WT1 ATOM 4161 OH2 TIP3 8970 -0.600 4.709 -24.268 1.00 0.00 WT1 ATOM 4162 H1 TIP3 8970 -0.279 3.811 -24.496 1.00 0.00 WT1 ATOM 4163 H2 TIP3 8970 -0.287 4.810 -23.346 1.00 0.00 WT1 ATOM 4164 OH2 TIP3 8976 -10.346 8.351 -27.591 1.00 0.00 WT1 ATOM 4165 H1 TIP3 8976 -11.173 7.871 -27.777 1.00 0.00 WT1 ATOM 4166 H2 TIP3 8976 -9.734 7.957 -28.247 1.00 0.00 WT1 ATOM 4167 OH2 TIP3 9015 1.578 12.326 -24.219 1.00 0.00 WT1 ATOM 4168 H1 TIP3 9015 2.354 12.905 -24.065 1.00 0.00 WT1 ATOM 4169 H2 TIP3 9015 1.787 11.559 -23.668 1.00 0.00 WT1 ATOM 4170 OH2 TIP3 9027 -11.729 8.594 25.112 1.00 0.00 WT1 ATOM 4171 H1 TIP3 9027 -12.592 8.190 25.319 1.00 0.00 WT1 ATOM 4172 H2 TIP3 9027 -11.450 8.122 24.314 1.00 0.00 WT1 ATOM 4173 OH2 TIP3 9034 -3.440 13.538 -25.093 1.00 0.00 WT1 ATOM 4174 H1 TIP3 9034 -3.777 13.700 -25.998 1.00 0.00 WT1 ATOM 4175 H2 TIP3 9034 -2.470 13.628 -25.200 1.00 0.00 WT1 ATOM 4176 OH2 TIP3 9050 -12.656 5.752 22.337 1.00 0.00 WT1 ATOM 4177 H1 TIP3 9050 -12.456 5.461 21.414 1.00 0.00 WT1 ATOM 4178 H2 TIP3 9050 -11.909 6.352 22.535 1.00 0.00 WT1 ATOM 4179 OH2 TIP3 9082 -11.458 -2.069 -25.832 1.00 0.00 WT1 ATOM 4180 H1 TIP3 9082 -11.018 -1.208 -25.766 1.00 0.00 WT1 ATOM 4181 H2 TIP3 9082 -10.761 -2.644 -26.205 1.00 0.00 WT1 ATOM 4182 OH2 TIP3 9178 -14.347 7.381 25.071 1.00 0.00 WT1 ATOM 4183 H1 TIP3 9178 -14.467 7.597 24.123 1.00 0.00 WT1 ATOM 4184 H2 TIP3 9178 -15.154 7.757 25.475 1.00 0.00 WT1 ATOM 4185 OH2 TIP3 9241 -12.168 -8.863 -22.273 1.00 0.00 WT1 ATOM 4186 H1 TIP3 9241 -12.538 -8.402 -21.489 1.00 0.00 WT1 ATOM 4187 H2 TIP3 9241 -11.996 -9.759 -21.924 1.00 0.00 WT1 ATOM 4188 OH2 TIP3 111 -8.153 -11.633 31.131 1.00 0.00 WT2 ATOM 4189 H1 TIP3 111 -7.404 -11.006 31.060 1.00 0.00 WT2 ATOM 4190 H2 TIP3 111 -8.631 -11.321 31.927 1.00 0.00 WT2 ATOM 4191 OH2 TIP3 145 -1.660 8.042 31.791 1.00 0.00 WT2 ATOM 4192 H1 TIP3 145 -1.456 7.117 32.027 1.00 0.00 WT2 ATOM 4193 H2 TIP3 145 -2.578 7.968 31.457 1.00 0.00 WT2 ATOM 4194 OH2 TIP3 424 -3.157 -13.475 30.805 1.00 0.00 WT2 ATOM 4195 H1 TIP3 424 -2.529 -12.898 30.346 1.00 0.00 WT2 ATOM 4196 H2 TIP3 424 -4.020 -13.101 30.534 1.00 0.00 WT2 ATOM 4197 OH2 TIP3 507 -12.412 3.280 30.238 1.00 0.00 WT2 ATOM 4198 H1 TIP3 507 -13.021 3.114 29.494 1.00 0.00 WT2 ATOM 4199 H2 TIP3 507 -12.058 2.397 30.444 1.00 0.00 WT2 ATOM 4200 OH2 TIP3 613 -5.251 3.248 31.161 1.00 0.00 WT2 ATOM 4201 H1 TIP3 613 -6.016 3.581 31.672 1.00 0.00 WT2 ATOM 4202 H2 TIP3 613 -4.510 3.397 31.777 1.00 0.00 WT2 ATOM 4203 OH2 TIP3 887 7.858 -6.789 29.550 1.00 0.00 WT2 ATOM 4204 H1 TIP3 887 7.512 -7.683 29.366 1.00 0.00 WT2 ATOM 4205 H2 TIP3 887 8.807 -6.954 29.707 1.00 0.00 WT2 ATOM 4206 OH2 TIP3 888 -10.199 -10.799 29.508 1.00 0.00 WT2 ATOM 4207 H1 TIP3 888 -9.917 -11.189 28.661 1.00 0.00 WT2 ATOM 4208 H2 TIP3 888 -9.471 -11.052 30.105 1.00 0.00 WT2 ATOM 4209 OH2 TIP3 924 -6.044 -9.882 30.636 1.00 0.00 WT2 ATOM 4210 H1 TIP3 924 -5.277 -9.424 31.042 1.00 0.00 WT2 ATOM 4211 H2 TIP3 924 -5.639 -10.691 30.260 1.00 0.00 WT2 ATOM 4212 OH2 TIP3 964 -11.675 0.531 30.765 1.00 0.00 WT2 ATOM 4213 H1 TIP3 964 -12.203 0.337 29.965 1.00 0.00 WT2 ATOM 4214 H2 TIP3 964 -11.021 -0.202 30.785 1.00 0.00 WT2 ATOM 4215 OH2 TIP3 985 11.073 9.818 31.042 1.00 0.00 WT2 ATOM 4216 H1 TIP3 985 11.414 10.733 30.953 1.00 0.00 WT2 ATOM 4217 H2 TIP3 985 11.821 9.271 30.737 1.00 0.00 WT2 ATOM 4218 OH2 TIP3 987 -14.293 3.024 28.148 1.00 0.00 WT2 ATOM 4219 H1 TIP3 987 -13.981 3.692 27.499 1.00 0.00 WT2 ATOM 4220 H2 TIP3 987 -15.210 3.312 28.320 1.00 0.00 WT2 ATOM 4221 OH2 TIP3 988 -4.361 7.963 31.266 1.00 0.00 WT2 ATOM 4222 H1 TIP3 988 -4.816 8.817 31.087 1.00 0.00 WT2 ATOM 4223 H2 TIP3 988 -4.764 7.686 32.121 1.00 0.00 WT2 ATOM 4224 OH2 TIP3 1027 -3.614 -3.954 30.659 1.00 0.00 WT2 ATOM 4225 H1 TIP3 1027 -3.760 -3.010 30.438 1.00 0.00 WT2 ATOM 4226 H2 TIP3 1027 -4.199 -4.403 30.011 1.00 0.00 WT2 ATOM 4227 OH2 TIP3 1033 -8.911 7.893 30.299 1.00 0.00 WT2 ATOM 4228 H1 TIP3 1033 -9.370 8.450 29.638 1.00 0.00 WT2 ATOM 4229 H2 TIP3 1033 -9.179 8.313 31.142 1.00 0.00 WT2 ATOM 4230 OH2 TIP3 1326 -0.641 -15.614 30.363 1.00 0.00 WT2 ATOM 4231 H1 TIP3 1326 -0.208 -15.820 31.221 1.00 0.00 WT2 ATOM 4232 H2 TIP3 1326 -1.071 -16.466 30.148 1.00 0.00 WT2 ATOM 4233 OH2 TIP3 1346 2.076 -7.109 30.350 1.00 0.00 WT2 ATOM 4234 H1 TIP3 1346 1.570 -7.929 30.257 1.00 0.00 WT2 ATOM 4235 H2 TIP3 1346 2.426 -7.181 31.270 1.00 0.00 WT2 ATOM 4236 OH2 TIP3 1408 -14.841 6.278 31.011 1.00 0.00 WT2 ATOM 4237 H1 TIP3 1408 -13.886 6.133 30.909 1.00 0.00 WT2 ATOM 4238 H2 TIP3 1408 -15.060 5.772 31.813 1.00 0.00 WT2 ATOM 4239 OH2 TIP3 1425 -5.391 -12.349 29.550 1.00 0.00 WT2 ATOM 4240 H1 TIP3 1425 -6.236 -12.763 29.334 1.00 0.00 WT2 ATOM 4241 H2 TIP3 1425 -4.953 -12.249 28.678 1.00 0.00 WT2 ATOM 4242 OH2 TIP3 1427 -7.617 -8.120 29.079 1.00 0.00 WT2 ATOM 4243 H1 TIP3 1427 -7.025 -8.172 28.310 1.00 0.00 WT2 ATOM 4244 H2 TIP3 1427 -7.167 -8.690 29.733 1.00 0.00 WT2 ATOM 4245 OH2 TIP3 1452 -12.390 -5.140 28.950 1.00 0.00 WT2 ATOM 4246 H1 TIP3 1452 -11.459 -5.249 28.694 1.00 0.00 WT2 ATOM 4247 H2 TIP3 1452 -12.675 -4.341 28.456 1.00 0.00 WT2 ATOM 4248 OH2 TIP3 1750 -11.929 5.812 31.032 1.00 0.00 WT2 ATOM 4249 H1 TIP3 1750 -10.999 5.755 31.319 1.00 0.00 WT2 ATOM 4250 H2 TIP3 1750 -12.125 4.875 30.783 1.00 0.00 WT2 ATOM 4251 OH2 TIP3 1810 11.040 2.310 29.997 1.00 0.00 WT2 ATOM 4252 H1 TIP3 1810 10.899 2.603 30.924 1.00 0.00 WT2 ATOM 4253 H2 TIP3 1810 10.125 2.122 29.710 1.00 0.00 WT2 ATOM 4254 OH2 TIP3 1829 -6.807 -4.802 30.945 1.00 0.00 WT2 ATOM 4255 H1 TIP3 1829 -6.696 -5.659 31.406 1.00 0.00 WT2 ATOM 4256 H2 TIP3 1829 -6.345 -4.937 30.092 1.00 0.00 WT2 ATOM 4257 OH2 TIP3 1847 -5.543 10.409 30.901 1.00 0.00 WT2 ATOM 4258 H1 TIP3 1847 -5.748 11.046 31.618 1.00 0.00 WT2 ATOM 4259 H2 TIP3 1847 -6.237 10.588 30.232 1.00 0.00 WT2 ATOM 4260 OH2 TIP3 1870 0.362 9.964 31.485 1.00 0.00 WT2 ATOM 4261 H1 TIP3 1870 0.400 10.349 32.388 1.00 0.00 WT2 ATOM 4262 H2 TIP3 1870 -0.300 9.244 31.590 1.00 0.00 WT2 ATOM 4263 OH2 TIP3 1871 -12.567 -6.501 31.321 1.00 0.00 WT2 ATOM 4264 H1 TIP3 1871 -12.288 -7.337 30.886 1.00 0.00 WT2 ATOM 4265 H2 TIP3 1871 -12.584 -5.878 30.560 1.00 0.00 WT2 ATOM 4266 OH2 TIP3 1885 4.498 -4.161 31.131 1.00 0.00 WT2 ATOM 4267 H1 TIP3 1885 4.670 -5.000 31.611 1.00 0.00 WT2 ATOM 4268 H2 TIP3 1885 5.124 -4.225 30.380 1.00 0.00 WT2 ATOM 4269 OH2 TIP3 1976 1.016 15.744 30.036 1.00 0.00 WT2 ATOM 4270 H1 TIP3 1976 1.014 15.335 29.155 1.00 0.00 WT2 ATOM 4271 H2 TIP3 1976 0.160 15.445 30.408 1.00 0.00 WT2 ATOM 4272 OH2 TIP3 2014 -1.353 14.633 30.947 1.00 0.00 WT2 ATOM 4273 H1 TIP3 2014 -2.021 15.270 30.636 1.00 0.00 WT2 ATOM 4274 H2 TIP3 2014 -1.875 14.068 31.548 1.00 0.00 WT2 ATOM 4275 OH2 TIP3 2312 2.837 1.381 28.987 1.00 0.00 WT2 ATOM 4276 H1 TIP3 2312 3.414 1.965 28.451 1.00 0.00 WT2 ATOM 4277 H2 TIP3 2312 3.310 0.521 28.936 1.00 0.00 WT2 ATOM 4278 OH2 TIP3 2318 -9.229 5.584 32.104 1.00 0.00 WT2 ATOM 4279 H1 TIP3 2318 -8.907 6.200 31.415 1.00 0.00 WT2 ATOM 4280 H2 TIP3 2318 -8.501 4.929 32.180 1.00 0.00 WT2 ATOM 4281 OH2 TIP3 2329 6.757 -2.053 30.868 1.00 0.00 WT2 ATOM 4282 H1 TIP3 2329 5.863 -2.106 31.237 1.00 0.00 WT2 ATOM 4283 H2 TIP3 2329 6.845 -2.920 30.410 1.00 0.00 WT2 ATOM 4284 OH2 TIP3 2351 -1.164 0.634 31.276 1.00 0.00 WT2 ATOM 4285 H1 TIP3 2351 -0.664 -0.202 31.317 1.00 0.00 WT2 ATOM 4286 H2 TIP3 2351 -1.892 0.484 31.917 1.00 0.00 WT2 ATOM 4287 OH2 TIP3 2378 9.005 8.905 28.664 1.00 0.00 WT2 ATOM 4288 H1 TIP3 2378 8.990 9.425 29.482 1.00 0.00 WT2 ATOM 4289 H2 TIP3 2378 8.059 8.819 28.427 1.00 0.00 WT2 ATOM 4290 OH2 TIP3 2419 0.768 12.658 30.837 1.00 0.00 WT2 ATOM 4291 H1 TIP3 2419 0.527 11.735 31.049 1.00 0.00 WT2 ATOM 4292 H2 TIP3 2419 -0.063 13.150 30.971 1.00 0.00 WT2 ATOM 4293 OH2 TIP3 2477 -6.997 10.902 28.624 1.00 0.00 WT2 ATOM 4294 H1 TIP3 2477 -7.915 11.148 28.434 1.00 0.00 WT2 ATOM 4295 H2 TIP3 2477 -6.477 11.614 28.193 1.00 0.00 WT2 ATOM 4296 OH2 TIP3 2709 -0.023 3.184 31.165 1.00 0.00 WT2 ATOM 4297 H1 TIP3 2709 0.525 3.075 31.974 1.00 0.00 WT2 ATOM 4298 H2 TIP3 2709 -0.435 2.298 31.093 1.00 0.00 WT2 ATOM 4299 OH2 TIP3 2710 12.368 -2.380 29.635 1.00 0.00 WT2 ATOM 4300 H1 TIP3 2710 12.339 -1.476 30.026 1.00 0.00 WT2 ATOM 4301 H2 TIP3 2710 11.699 -2.864 30.165 1.00 0.00 WT2 ATOM 4302 OH2 TIP3 2773 6.635 -4.348 29.426 1.00 0.00 WT2 ATOM 4303 H1 TIP3 2773 6.597 -4.191 28.459 1.00 0.00 WT2 ATOM 4304 H2 TIP3 2773 7.066 -5.235 29.483 1.00 0.00 WT2 ATOM 4305 OH2 TIP3 2793 -4.185 -1.467 29.667 1.00 0.00 WT2 ATOM 4306 H1 TIP3 2793 -4.675 -1.720 28.852 1.00 0.00 WT2 ATOM 4307 H2 TIP3 2793 -4.706 -0.706 29.994 1.00 0.00 WT2 ATOM 4308 OH2 TIP3 2877 6.405 9.418 30.377 1.00 0.00 WT2 ATOM 4309 H1 TIP3 2877 6.250 9.466 29.419 1.00 0.00 WT2 ATOM 4310 H2 TIP3 2877 6.231 10.338 30.672 1.00 0.00 WT2 ATOM 4311 OH2 TIP3 2878 2.936 8.986 30.407 1.00 0.00 WT2 ATOM 4312 H1 TIP3 2878 3.401 9.772 30.052 1.00 0.00 WT2 ATOM 4313 H2 TIP3 2878 2.105 9.366 30.754 1.00 0.00 WT2 ATOM 4314 OH2 TIP3 2919 5.617 11.906 31.313 1.00 0.00 WT2 ATOM 4315 H1 TIP3 2919 4.971 11.929 30.581 1.00 0.00 WT2 ATOM 4316 H2 TIP3 2919 6.165 12.706 31.153 1.00 0.00 WT2 ATOM 4317 OH2 TIP3 3086 0.457 -13.104 30.606 1.00 0.00 WT2 ATOM 4318 H1 TIP3 3086 0.006 -13.918 30.297 1.00 0.00 WT2 ATOM 4319 H2 TIP3 3086 0.245 -13.111 31.556 1.00 0.00 WT2 ATOM 4320 OH2 TIP3 3109 3.620 2.343 31.629 1.00 0.00 WT2 ATOM 4321 H1 TIP3 3109 3.376 2.022 30.743 1.00 0.00 WT2 ATOM 4322 H2 TIP3 3109 2.769 2.334 32.107 1.00 0.00 WT2 ATOM 4323 OH2 TIP3 3129 6.218 -11.035 30.793 1.00 0.00 WT2 ATOM 4324 H1 TIP3 3129 6.799 -10.506 30.210 1.00 0.00 WT2 ATOM 4325 H2 TIP3 3129 5.591 -11.431 30.150 1.00 0.00 WT2 ATOM 4326 OH2 TIP3 3257 7.580 7.088 31.251 1.00 0.00 WT2 ATOM 4327 H1 TIP3 3257 7.030 7.697 30.724 1.00 0.00 WT2 ATOM 4328 H2 TIP3 3257 8.185 7.713 31.705 1.00 0.00 WT2 ATOM 4329 OH2 TIP3 3275 4.388 -0.821 28.396 1.00 0.00 WT2 ATOM 4330 H1 TIP3 3275 4.046 -1.168 27.550 1.00 0.00 WT2 ATOM 4331 H2 TIP3 3275 5.341 -0.951 28.323 1.00 0.00 WT2 ATOM 4332 OH2 TIP3 3296 12.519 0.096 30.715 1.00 0.00 WT2 ATOM 4333 H1 TIP3 3296 13.440 0.427 30.782 1.00 0.00 WT2 ATOM 4334 H2 TIP3 3296 12.033 0.860 30.338 1.00 0.00 WT2 ATOM 4335 OH2 TIP3 3317 13.078 7.930 30.304 1.00 0.00 WT2 ATOM 4336 H1 TIP3 3317 13.904 7.431 30.497 1.00 0.00 WT2 ATOM 4337 H2 TIP3 3317 12.409 7.218 30.312 1.00 0.00 WT2 ATOM 4338 OH2 TIP3 3382 -3.596 12.068 29.832 1.00 0.00 WT2 ATOM 4339 H1 TIP3 3382 -4.215 11.354 30.088 1.00 0.00 WT2 ATOM 4340 H2 TIP3 3382 -3.282 12.390 30.700 1.00 0.00 WT2 ATOM 4341 OH2 TIP3 3442 -1.791 -6.019 30.577 1.00 0.00 WT2 ATOM 4342 H1 TIP3 3442 -1.223 -5.687 29.863 1.00 0.00 WT2 ATOM 4343 H2 TIP3 3442 -2.476 -5.326 30.644 1.00 0.00 WT2 ATOM 4344 OH2 TIP3 3526 1.859 -4.209 30.257 1.00 0.00 WT2 ATOM 4345 H1 TIP3 3526 2.766 -3.929 30.508 1.00 0.00 WT2 ATOM 4346 H2 TIP3 3526 1.897 -5.172 30.418 1.00 0.00 WT2 ATOM 4347 OH2 TIP3 3593 12.770 -5.550 30.731 1.00 0.00 WT2 ATOM 4348 H1 TIP3 3593 13.560 -5.612 31.300 1.00 0.00 WT2 ATOM 4349 H2 TIP3 3593 12.200 -4.920 31.207 1.00 0.00 WT2 ATOM 4350 OH2 TIP3 3650 -5.865 0.630 30.572 1.00 0.00 WT2 ATOM 4351 H1 TIP3 3650 -5.560 1.555 30.708 1.00 0.00 WT2 ATOM 4352 H2 TIP3 3650 -6.452 0.709 29.793 1.00 0.00 WT2 ATOM 4353 OH2 TIP3 3651 -1.916 5.184 31.690 1.00 0.00 WT2 ATOM 4354 H1 TIP3 3651 -1.228 4.525 31.465 1.00 0.00 WT2 ATOM 4355 H2 TIP3 3651 -2.333 5.377 30.825 1.00 0.00 WT2 ATOM 4356 OH2 TIP3 3693 9.134 8.822 -31.327 1.00 0.00 WT2 ATOM 4357 H1 TIP3 3693 9.819 9.279 -31.871 1.00 0.00 WT2 ATOM 4358 H2 TIP3 3693 9.656 8.182 -30.811 1.00 0.00 WT2 ATOM 4359 OH2 TIP3 3718 0.646 4.921 29.064 1.00 0.00 WT2 ATOM 4360 H1 TIP3 3718 0.653 4.297 29.822 1.00 0.00 WT2 ATOM 4361 H2 TIP3 3718 1.550 4.852 28.694 1.00 0.00 WT2 ATOM 4362 OH2 TIP3 3994 -2.437 -10.795 29.440 1.00 0.00 WT2 ATOM 4363 H1 TIP3 3994 -1.936 -10.094 28.983 1.00 0.00 WT2 ATOM 4364 H2 TIP3 3994 -3.027 -11.125 28.735 1.00 0.00 WT2 ATOM 4365 OH2 TIP3 4012 -9.440 -4.088 30.935 1.00 0.00 WT2 ATOM 4366 H1 TIP3 4012 -8.488 -4.313 30.850 1.00 0.00 WT2 ATOM 4367 H2 TIP3 4012 -9.779 -4.810 31.494 1.00 0.00 WT2 ATOM 4368 OH2 TIP3 4037 1.187 -10.396 30.217 1.00 0.00 WT2 ATOM 4369 H1 TIP3 4037 0.884 -11.327 30.218 1.00 0.00 WT2 ATOM 4370 H2 TIP3 4037 0.956 -10.098 31.113 1.00 0.00 WT2 ATOM 4371 OH2 TIP3 4055 8.281 1.923 30.042 1.00 0.00 WT2 ATOM 4372 H1 TIP3 4055 7.732 2.089 29.248 1.00 0.00 WT2 ATOM 4373 H2 TIP3 4055 8.235 2.798 30.498 1.00 0.00 WT2 ATOM 4374 OH2 TIP3 4058 10.648 -7.031 29.652 1.00 0.00 WT2 ATOM 4375 H1 TIP3 4058 11.397 -6.568 30.082 1.00 0.00 WT2 ATOM 4376 H2 TIP3 4058 10.643 -6.643 28.756 1.00 0.00 WT2 ATOM 4377 OH2 TIP3 4138 8.082 0.015 32.139 1.00 0.00 WT2 ATOM 4378 H1 TIP3 4138 8.158 0.639 31.387 1.00 0.00 WT2 ATOM 4379 H2 TIP3 4138 7.610 -0.745 31.742 1.00 0.00 WT2 ATOM 4380 OH2 TIP3 4161 11.548 5.624 30.483 1.00 0.00 WT2 ATOM 4381 H1 TIP3 4161 11.537 5.185 31.344 1.00 0.00 WT2 ATOM 4382 H2 TIP3 4161 12.111 5.035 29.946 1.00 0.00 WT2 ATOM 4383 OH2 TIP3 4179 8.111 4.378 31.162 1.00 0.00 WT2 ATOM 4384 H1 TIP3 4179 7.934 5.336 31.070 1.00 0.00 WT2 ATOM 4385 H2 TIP3 4179 7.910 4.204 32.095 1.00 0.00 WT2 ATOM 4386 OH2 TIP3 4184 3.839 6.696 31.654 1.00 0.00 WT2 ATOM 4387 H1 TIP3 4184 3.914 6.048 30.943 1.00 0.00 WT2 ATOM 4388 H2 TIP3 4184 3.418 7.468 31.216 1.00 0.00 WT2 ATOM 4389 OH2 TIP3 4437 11.445 -9.635 30.087 1.00 0.00 WT2 ATOM 4390 H1 TIP3 4437 11.065 -9.870 30.969 1.00 0.00 WT2 ATOM 4391 H2 TIP3 4437 11.171 -8.697 29.990 1.00 0.00 WT2 ATOM 4392 OH2 TIP3 4519 -0.102 -2.066 30.915 1.00 0.00 WT2 ATOM 4393 H1 TIP3 4519 -0.493 -1.980 30.022 1.00 0.00 WT2 ATOM 4394 H2 TIP3 4519 0.705 -2.591 30.759 1.00 0.00 WT2 ATOM 4395 OH2 TIP3 5251 10.614 -3.679 31.352 1.00 0.00 WT2 ATOM 4396 H1 TIP3 5251 9.845 -4.226 31.149 1.00 0.00 WT2 ATOM 4397 H2 TIP3 5251 10.288 -3.115 32.087 1.00 0.00 WT2 ATOM 4398 OH2 TIP3 7222 -11.764 -8.629 29.830 1.00 0.00 WT2 ATOM 4399 H1 TIP3 7222 -11.133 -9.382 29.737 1.00 0.00 WT2 ATOM 4400 H2 TIP3 7222 -12.628 -9.092 29.831 1.00 0.00 WT2 ATOM 4401 OH2 TIP3 8403 -14.944 0.977 31.311 1.00 0.00 WT2 ATOM 4402 H1 TIP3 8403 -14.610 0.788 32.215 1.00 0.00 WT2 ATOM 4403 H2 TIP3 8403 -14.187 0.757 30.744 1.00 0.00 WT2 ATOM 4404 OH2 TIP3 8632 -10.134 9.966 28.727 1.00 0.00 WT2 ATOM 4405 H1 TIP3 8632 -10.837 10.567 29.019 1.00 0.00 WT2 ATOM 4406 H2 TIP3 8632 -10.163 10.056 27.756 1.00 0.00 WT2 ATOM 4407 OH2 TIP3 8949 -9.769 -1.443 31.165 1.00 0.00 WT2 ATOM 4408 H1 TIP3 8949 -9.340 -1.394 32.036 1.00 0.00 WT2 ATOM 4409 H2 TIP3 8949 -9.781 -2.419 31.006 1.00 0.00 WT2 END