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| CRYST1 27.285 19.353 21.501 90.00 90.00 90.00 P 1 | |
| MODEL 1 | |
| ATOM 1 N ILE 1 4.769 7.706 15.234 1.00 1.36 N | |
| ATOM 2 CA ILE 1 5.318 7.181 13.957 1.00 0.28 C | |
| ATOM 3 C ILE 1 6.145 8.241 13.237 1.00 0.30 C | |
| ATOM 4 O ILE 1 5.612 9.248 12.771 1.00 0.55 O | |
| ATOM 5 CB ILE 1 4.190 6.704 13.019 1.00 1.48 C | |
| ATOM 6 CG1 ILE 1 3.351 5.624 13.706 1.00 1.64 C | |
| ATOM 7 CG2 ILE 1 4.770 6.184 11.711 1.00 2.51 C | |
| ATOM 8 CD1 ILE 1 2.117 5.224 12.922 1.00 2.53 C | |
| ATOM 9 H1 ILE 1 4.128 8.502 15.046 1.00 1.90 H | |
| ATOM 10 H2 ILE 1 5.541 8.033 15.848 1.00 1.95 H | |
| ATOM 11 H3 ILE 1 4.242 6.959 15.730 1.00 1.91 H | |
| ATOM 12 HA ILE 1 5.954 6.336 14.182 1.00 1.02 H | |
| ATOM 13 HB ILE 1 3.559 7.550 12.792 1.00 2.12 H | |
| ATOM 14 HG12 ILE 1 3.955 4.739 13.841 1.00 1.76 H | |
| ATOM 15 HG13 ILE 1 3.030 5.986 14.671 1.00 1.90 H | |
| ATOM 16 HG21 ILE 1 3.968 5.865 11.062 1.00 3.01 H | |
| ATOM 17 HG22 ILE 1 5.423 5.348 11.913 1.00 2.95 H | |
| ATOM 18 HG23 ILE 1 5.332 6.970 11.228 1.00 2.97 H | |
| ATOM 19 HD11 ILE 1 2.412 4.823 11.966 1.00 2.80 H | |
| ATOM 20 HD12 ILE 1 1.491 6.092 12.771 1.00 3.03 H | |
| ATOM 21 HD13 ILE 1 1.567 4.476 13.474 1.00 3.02 H | |
| ATOM 22 N LYS 2 7.451 8.007 13.152 1.00 0.08 N | |
| ATOM 23 CA LYS 2 8.350 8.942 12.484 1.00 0.07 C | |
| ATOM 24 C LYS 2 8.153 8.903 10.970 1.00 0.08 C | |
| ATOM 25 O LYS 2 8.090 7.830 10.369 1.00 0.09 O | |
| ATOM 26 CB LYS 2 9.812 8.619 12.813 1.00 0.08 C | |
| ATOM 27 CG LYS 2 10.200 8.880 14.260 1.00 0.11 C | |
| ATOM 28 CD LYS 2 11.632 8.440 14.552 1.00 0.12 C | |
| ATOM 29 CE LYS 2 11.713 6.946 14.820 1.00 0.62 C | |
| ATOM 30 NZ LYS 2 11.445 6.137 13.600 1.00 1.15 N | |
| ATOM 31 H LYS 2 7.818 7.190 13.548 1.00 0.19 H | |
| ATOM 32 HA LYS 2 8.121 9.935 12.839 1.00 0.09 H | |
| ATOM 33 HB2 LYS 2 9.996 7.577 12.597 1.00 0.10 H | |
| ATOM 34 HB3 LYS 2 10.448 9.221 12.180 1.00 0.10 H | |
| ATOM 35 HG2 LYS 2 10.113 9.939 14.459 1.00 0.13 H | |
| ATOM 36 HG3 LYS 2 9.528 8.334 14.905 1.00 0.12 H | |
| ATOM 37 HD2 LYS 2 12.262 8.678 13.700 1.00 0.56 H | |
| ATOM 38 HD3 LYS 2 11.990 8.972 15.421 1.00 0.49 H | |
| ATOM 39 HE2 LYS 2 12.703 6.714 15.183 1.00 1.15 H | |
| ATOM 40 HE3 LYS 2 10.987 6.690 15.578 1.00 1.06 H | |
| ATOM 41 HZ1 LYS 2 12.140 6.362 12.860 1.00 1.67 H | |
| ATOM 42 HZ2 LYS 2 10.492 6.339 13.240 1.00 1.71 H | |
| ATOM 43 HZ3 LYS 2 11.510 5.123 13.823 1.00 1.58 H | |
| ATOM 44 N LYS 3 8.050 10.080 10.364 1.00 0.08 N | |
| ATOM 45 CA LYS 3 7.886 10.189 8.922 1.00 0.09 C | |
| ATOM 46 C LYS 3 9.237 10.505 8.308 1.00 0.06 C | |
| ATOM 47 O LYS 3 9.838 9.674 7.627 1.00 0.07 O | |
| ATOM 48 CB LYS 3 6.873 11.280 8.573 1.00 0.12 C | |
| ATOM 49 CG LYS 3 5.495 11.049 9.176 1.00 0.17 C | |
| ATOM 50 CD LYS 3 4.537 12.181 8.840 1.00 0.70 C | |
| ATOM 51 CE LYS 3 4.204 12.213 7.356 1.00 1.36 C | |
| ATOM 52 NZ LYS 3 3.564 10.947 6.902 1.00 2.00 N | |
| ATOM 53 H LYS 3 8.100 10.899 10.897 1.00 0.09 H | |
| ATOM 54 HA LYS 3 7.537 9.237 8.547 1.00 0.11 H | |
| ATOM 55 HB2 LYS 3 7.244 12.228 8.933 1.00 0.12 H | |
| ATOM 56 HB3 LYS 3 6.768 11.329 7.499 1.00 0.13 H | |
| ATOM 57 HG2 LYS 3 5.093 10.124 8.787 1.00 0.62 H | |
| ATOM 58 HG3 LYS 3 5.592 10.978 10.250 1.00 0.55 H | |
| ATOM 59 HD2 LYS 3 3.623 12.043 9.398 1.00 1.30 H | |
| ATOM 60 HD3 LYS 3 4.993 13.120 9.118 1.00 1.35 H | |
| ATOM 61 HE2 LYS 3 3.530 13.035 7.168 1.00 1.96 H | |
| ATOM 62 HE3 LYS 3 5.118 12.363 6.799 1.00 1.95 H | |
| ATOM 63 HZ1 LYS 3 2.678 10.785 7.424 1.00 2.29 H | |
| ATOM 64 HZ2 LYS 3 4.203 10.144 7.070 1.00 2.50 H | |
| ATOM 65 HZ3 LYS 3 3.350 11.000 5.886 1.00 2.53 H | |
| ATOM 66 N ILE 4 9.708 11.720 8.555 1.00 0.05 N | |
| ATOM 67 CA ILE 4 11.010 12.144 8.083 1.00 0.05 C | |
| ATOM 68 C ILE 4 12.047 11.833 9.147 1.00 0.05 C | |
| ATOM 69 O ILE 4 13.197 11.517 8.848 1.00 0.09 O | |
| ATOM 70 CB ILE 4 11.030 13.652 7.757 1.00 0.09 C | |
| ATOM 71 CG1 ILE 4 10.008 13.981 6.663 1.00 0.13 C | |
| ATOM 72 CG2 ILE 4 12.427 14.093 7.340 1.00 0.11 C | |
| ATOM 73 CD1 ILE 4 10.257 13.267 5.350 1.00 0.56 C | |
| ATOM 74 H ILE 4 9.163 12.351 9.072 1.00 0.07 H | |
| ATOM 75 HA ILE 4 11.245 11.586 7.191 1.00 0.05 H | |
| ATOM 76 HB ILE 4 10.765 14.185 8.656 1.00 0.11 H | |
| ATOM 77 HG12 ILE 4 9.023 13.704 7.007 1.00 0.46 H | |
| ATOM 78 HG13 ILE 4 10.029 15.045 6.472 1.00 0.43 H | |
| ATOM 79 HG21 ILE 4 12.728 13.551 6.456 1.00 0.97 H | |
| ATOM 80 HG22 ILE 4 13.123 13.890 8.141 1.00 1.02 H | |
| ATOM 81 HG23 ILE 4 12.422 15.152 7.128 1.00 1.01 H | |
| ATOM 82 HD11 ILE 4 11.232 13.537 4.974 1.00 1.20 H | |
| ATOM 83 HD12 ILE 4 9.502 13.555 4.635 1.00 1.04 H | |
| ATOM 84 HD13 ILE 4 10.215 12.200 5.508 1.00 1.09 H | |
| ATOM 85 N LEU 5 11.613 11.920 10.403 1.00 0.05 N | |
| ATOM 86 CA LEU 5 12.471 11.633 11.540 1.00 0.07 C | |
| ATOM 87 C LEU 5 12.819 10.151 11.573 1.00 0.06 C | |
| ATOM 88 O LEU 5 13.675 9.721 12.340 1.00 0.08 O | |
| ATOM 89 CB LEU 5 11.776 12.042 12.842 1.00 0.09 C | |
| ATOM 90 CG LEU 5 11.696 13.548 13.103 1.00 0.26 C | |
| ATOM 91 CD1 LEU 5 10.978 14.260 11.970 1.00 1.43 C | |
| ATOM 92 CD2 LEU 5 10.989 13.814 14.421 1.00 1.25 C | |
| ATOM 93 H LEU 5 10.684 12.189 10.567 1.00 0.06 H | |
| ATOM 94 HA LEU 5 13.378 12.205 11.427 1.00 0.08 H | |
| ATOM 95 HB2 LEU 5 10.771 11.647 12.826 1.00 0.16 H | |
| ATOM 96 HB3 LEU 5 12.307 11.588 13.661 1.00 0.14 H | |
| ATOM 97 HG LEU 5 12.696 13.951 13.173 1.00 1.14 H | |
| ATOM 98 HD11 LEU 5 11.554 14.161 11.063 1.00 2.10 H | |
| ATOM 99 HD12 LEU 5 10.864 15.304 12.213 1.00 1.95 H | |
| ATOM 100 HD13 LEU 5 10.004 13.815 11.827 1.00 1.99 H | |
| ATOM 101 HD21 LEU 5 10.000 13.383 14.388 1.00 1.86 H | |
| ATOM 102 HD22 LEU 5 10.914 14.878 14.581 1.00 1.80 H | |
| ATOM 103 HD23 LEU 5 11.550 13.366 15.227 1.00 1.89 H | |
| ATOM 104 N SER 6 12.132 9.374 10.736 1.00 0.05 N | |
| ATOM 105 CA SER 6 12.359 7.934 10.651 1.00 0.06 C | |
| ATOM 106 C SER 6 13.630 7.656 9.866 1.00 0.07 C | |
| ATOM 107 O SER 6 14.596 7.112 10.402 1.00 0.09 O | |
| ATOM 108 CB SER 6 11.170 7.241 9.985 1.00 0.07 C | |
| ATOM 109 OG SER 6 11.405 5.850 9.840 1.00 0.10 O | |
| ATOM 110 H SER 6 11.463 9.785 10.152 1.00 0.04 H | |
| ATOM 111 HA SER 6 12.476 7.555 11.655 1.00 0.07 H | |
| ATOM 112 HB2 SER 6 10.290 7.381 10.595 1.00 0.10 H | |
| ATOM 113 HB3 SER 6 11.003 7.671 9.008 1.00 0.09 H | |
| ATOM 114 HG SER 6 12.184 5.713 9.297 1.00 0.91 H | |
| ATOM 115 N LYS 7 13.621 8.024 8.587 1.00 0.08 N | |
| ATOM 116 CA LYS 7 14.791 7.845 7.742 1.00 0.10 C | |
| ATOM 117 C LYS 7 15.961 8.580 8.376 1.00 0.10 C | |
| ATOM 118 O LYS 7 17.125 8.244 8.160 1.00 0.12 O | |
| ATOM 119 CB LYS 7 14.527 8.378 6.333 1.00 0.13 C | |
| ATOM 120 CG LYS 7 14.215 9.869 6.295 1.00 0.15 C | |
| ATOM 121 CD LYS 7 13.850 10.335 4.893 1.00 0.21 C | |
| ATOM 122 CE LYS 7 15.026 10.223 3.936 1.00 1.35 C | |
| ATOM 123 NZ LYS 7 14.702 10.781 2.594 1.00 2.09 N | |
| ATOM 124 H LYS 7 12.811 8.426 8.207 1.00 0.08 H | |
| ATOM 125 HA LYS 7 15.016 6.789 7.693 1.00 0.11 H | |
| ATOM 126 HB2 LYS 7 15.401 8.201 5.722 1.00 0.17 H | |
| ATOM 127 HB3 LYS 7 13.688 7.847 5.908 1.00 0.14 H | |
| ATOM 128 HG2 LYS 7 13.385 10.068 6.956 1.00 0.19 H | |
| ATOM 129 HG3 LYS 7 15.085 10.415 6.630 1.00 0.18 H | |
| ATOM 130 HD2 LYS 7 13.039 9.726 4.523 1.00 1.10 H | |
| ATOM 131 HD3 LYS 7 13.534 11.366 4.941 1.00 1.04 H | |
| ATOM 132 HE2 LYS 7 15.864 10.764 4.349 1.00 2.08 H | |
| ATOM 133 HE3 LYS 7 15.290 9.180 3.830 1.00 1.93 H | |
| ATOM 134 HZ1 LYS 7 14.450 11.787 2.676 1.00 2.64 H | |
| ATOM 135 HZ2 LYS 7 13.901 10.267 2.177 1.00 2.54 H | |
| ATOM 136 HZ3 LYS 7 15.524 10.690 1.962 1.00 2.44 H | |
| ATOM 137 N ILE 8 15.617 9.590 9.168 1.00 0.09 N | |
| ATOM 138 CA ILE 8 16.598 10.397 9.879 1.00 0.10 C | |
| ATOM 139 C ILE 8 17.063 9.692 11.155 1.00 0.08 C | |
| ATOM 140 O ILE 8 18.226 9.794 11.540 1.00 0.08 O | |
| ATOM 141 CB ILE 8 16.005 11.774 10.239 1.00 0.11 C | |
| ATOM 142 CG1 ILE 8 15.951 12.676 8.999 1.00 0.13 C | |
| ATOM 143 CG2 ILE 8 16.806 12.434 11.350 1.00 0.11 C | |
| ATOM 144 CD1 ILE 8 17.311 12.986 8.404 1.00 0.16 C | |
| ATOM 145 H ILE 8 14.662 9.806 9.272 1.00 0.09 H | |
| ATOM 146 HA ILE 8 17.447 10.549 9.230 1.00 0.12 H | |
| ATOM 147 HB ILE 8 14.996 11.615 10.601 1.00 0.10 H | |
| ATOM 148 HG12 ILE 8 15.361 12.192 8.236 1.00 0.13 H | |
| ATOM 149 HG13 ILE 8 15.484 13.614 9.265 1.00 0.14 H | |
| ATOM 150 HG21 ILE 8 17.853 12.431 11.087 1.00 1.00 H | |
| ATOM 151 HG22 ILE 8 16.663 11.884 12.269 1.00 1.01 H | |
| ATOM 152 HG23 ILE 8 16.469 13.451 11.483 1.00 1.03 H | |
| ATOM 153 HD11 ILE 8 17.919 13.491 9.140 1.00 1.01 H | |
| ATOM 154 HD12 ILE 8 17.188 13.620 7.539 1.00 0.97 H | |
| ATOM 155 HD13 ILE 8 17.793 12.066 8.110 1.00 1.05 H | |
| ATOM 156 N LYS 9 16.140 8.987 11.805 1.00 0.08 N | |
| ATOM 157 CA LYS 9 16.444 8.262 13.038 1.00 0.07 C | |
| ATOM 158 C LYS 9 17.712 7.426 12.887 1.00 0.04 C | |
| ATOM 159 O LYS 9 18.456 7.228 13.847 1.00 0.07 O | |
| ATOM 160 CB LYS 9 15.275 7.354 13.421 1.00 0.11 C | |
| ATOM 161 CG LYS 9 15.356 6.829 14.845 1.00 0.17 C | |
| ATOM 162 CD LYS 9 14.879 5.387 14.939 1.00 0.31 C | |
| ATOM 163 CE LYS 9 14.924 4.879 16.371 1.00 0.95 C | |
| ATOM 164 NZ LYS 9 14.480 3.462 16.473 1.00 1.63 N | |
| ATOM 165 H LYS 9 15.225 8.961 11.454 1.00 0.08 H | |
| ATOM 166 HA LYS 9 16.595 8.987 13.820 1.00 0.10 H | |
| ATOM 167 HB2 LYS 9 14.355 7.907 13.317 1.00 0.12 H | |
| ATOM 168 HB3 LYS 9 15.253 6.509 12.749 1.00 0.12 H | |
| ATOM 169 HG2 LYS 9 16.379 6.881 15.183 1.00 0.23 H | |
| ATOM 170 HG3 LYS 9 14.732 7.445 15.478 1.00 0.20 H | |
| ATOM 171 HD2 LYS 9 13.865 5.327 14.579 1.00 0.68 H | |
| ATOM 172 HD3 LYS 9 15.520 4.767 14.328 1.00 0.74 H | |
| ATOM 173 HE2 LYS 9 15.938 4.956 16.737 1.00 1.50 H | |
| ATOM 174 HE3 LYS 9 14.277 5.495 16.977 1.00 1.67 H | |
| ATOM 175 HZ1 LYS 9 15.096 2.852 15.898 1.00 1.93 H | |
| ATOM 176 HZ2 LYS 9 13.502 3.368 16.130 1.00 2.14 H | |
| ATOM 177 HZ3 LYS 9 14.520 3.144 17.462 1.00 2.25 H | |
| ATOM 178 N LYS 10 17.947 6.937 11.674 1.00 0.06 N | |
| ATOM 179 CA LYS 10 19.117 6.113 11.393 1.00 0.10 C | |
| ATOM 180 C LYS 10 20.300 6.962 10.940 1.00 0.11 C | |
| ATOM 181 O LYS 10 21.456 6.554 11.070 1.00 0.16 O | |
| ATOM 182 CB LYS 10 18.785 5.066 10.327 1.00 0.15 C | |
| ATOM 183 CG LYS 10 17.736 4.060 10.772 1.00 0.20 C | |
| ATOM 184 CD LYS 10 17.405 3.065 9.670 1.00 0.28 C | |
| ATOM 185 CE LYS 10 16.672 3.732 8.517 1.00 1.21 C | |
| ATOM 186 NZ LYS 10 15.384 4.335 8.953 1.00 2.02 N | |
| ATOM 187 H LYS 10 17.321 7.144 10.948 1.00 0.07 H | |
| ATOM 188 HA LYS 10 19.387 5.605 12.306 1.00 0.10 H | |
| ATOM 189 HB2 LYS 10 18.418 5.571 9.445 1.00 0.15 H | |
| ATOM 190 HB3 LYS 10 19.685 4.527 10.074 1.00 0.20 H | |
| ATOM 191 HG2 LYS 10 18.109 3.521 11.630 1.00 0.23 H | |
| ATOM 192 HG3 LYS 10 16.835 4.593 11.045 1.00 0.19 H | |
| ATOM 193 HD2 LYS 10 18.325 2.637 9.299 1.00 1.06 H | |
| ATOM 194 HD3 LYS 10 16.782 2.284 10.078 1.00 0.95 H | |
| ATOM 195 HE2 LYS 10 17.301 4.508 8.107 1.00 1.88 H | |
| ATOM 196 HE3 LYS 10 16.476 2.990 7.755 1.00 1.79 H | |
| ATOM 197 HZ1 LYS 10 15.551 5.263 9.390 1.00 2.60 H | |
| ATOM 198 HZ2 LYS 10 14.914 3.716 9.646 1.00 2.39 H | |
| ATOM 199 HZ3 LYS 10 14.752 4.458 8.135 1.00 2.43 H | |
| ATOM 200 N LEU 11 20.008 8.143 10.406 1.00 0.08 N | |
| ATOM 201 CA LEU 11 21.050 9.046 9.927 1.00 0.12 C | |
| ATOM 202 C LEU 11 21.619 9.898 11.060 1.00 0.13 C | |
| ATOM 203 O LEU 11 22.776 9.733 11.447 1.00 0.17 O | |
| ATOM 204 CB LEU 11 20.502 9.947 8.817 1.00 0.13 C | |
| ATOM 205 CG LEU 11 20.046 9.216 7.552 1.00 0.13 C | |
| ATOM 206 CD1 LEU 11 19.395 10.190 6.582 1.00 0.16 C | |
| ATOM 207 CD2 LEU 11 21.221 8.509 6.890 1.00 0.18 C | |
| ATOM 208 H LEU 11 19.069 8.414 10.329 1.00 0.08 H | |
| ATOM 209 HA LEU 11 21.846 8.439 9.520 1.00 0.16 H | |
| ATOM 210 HB2 LEU 11 19.662 10.498 9.211 1.00 0.14 H | |
| ATOM 211 HB3 LEU 11 21.274 10.649 8.540 1.00 0.15 H | |
| ATOM 212 HG LEU 11 19.313 8.470 7.820 1.00 0.14 H | |
| ATOM 213 HD11 LEU 11 19.053 9.653 5.709 1.00 1.00 H | |
| ATOM 214 HD12 LEU 11 20.116 10.937 6.283 1.00 1.01 H | |
| ATOM 215 HD13 LEU 11 18.556 10.669 7.062 1.00 1.06 H | |
| ATOM 216 HD21 LEU 11 21.974 9.236 6.625 1.00 0.98 H | |
| ATOM 217 HD22 LEU 11 20.879 8.002 6.000 1.00 0.96 H | |
| ATOM 218 HD23 LEU 11 21.642 7.789 7.577 1.00 1.08 H | |
| ATOM 219 N LEU 12 20.805 10.810 11.590 1.00 0.12 N | |
| ATOM 220 CA LEU 12 21.249 11.684 12.674 1.00 0.16 C | |
| ATOM 221 C LEU 12 20.242 11.722 13.822 1.00 0.18 C | |
| ATOM 222 O LEU 12 20.523 11.228 14.914 1.00 0.26 O | |
| ATOM 223 CB LEU 12 21.502 13.103 12.153 1.00 0.24 C | |
| ATOM 224 CG LEU 12 20.502 13.609 11.110 1.00 0.19 C | |
| ATOM 225 CD1 LEU 12 20.252 15.097 11.289 1.00 0.30 C | |
| ATOM 226 CD2 LEU 12 21.010 13.319 9.706 1.00 0.24 C | |
| ATOM 227 H LEU 12 19.891 10.895 11.245 1.00 0.10 H | |
| ATOM 228 HA LEU 12 22.179 11.285 13.050 1.00 0.23 H | |
| ATOM 229 HB2 LEU 12 21.484 13.779 12.997 1.00 0.40 H | |
| ATOM 230 HB3 LEU 12 22.488 13.132 11.716 1.00 0.36 H | |
| ATOM 231 HG LEU 12 19.562 13.093 11.242 1.00 0.24 H | |
| ATOM 232 HD11 LEU 12 21.179 15.637 11.161 1.00 0.93 H | |
| ATOM 233 HD12 LEU 12 19.863 15.282 12.280 1.00 1.07 H | |
| ATOM 234 HD13 LEU 12 19.536 15.433 10.554 1.00 1.11 H | |
| ATOM 235 HD21 LEU 12 21.899 13.901 9.516 1.00 0.98 H | |
| ATOM 236 HD22 LEU 12 20.248 13.580 8.986 1.00 1.04 H | |
| ATOM 237 HD23 LEU 12 21.242 12.268 9.618 1.00 1.08 H | |
| ATOM 238 N LYS 13 19.073 12.313 13.571 1.00 0.24 N | |
| ATOM 239 CA LYS 13 18.029 12.423 14.590 1.00 0.34 C | |
| ATOM 240 C LYS 13 18.520 13.234 15.786 1.00 0.74 C | |
| ATOM 241 O LYS 13 18.299 14.463 15.796 1.00 1.46 O | |
| ATOM 242 CB LYS 13 17.570 11.035 15.046 1.00 0.26 C | |
| ATOM 243 CG LYS 13 16.554 11.065 16.180 1.00 0.26 C | |
| ATOM 244 CD LYS 13 15.205 11.595 15.720 1.00 0.77 C | |
| ATOM 245 CE LYS 13 14.250 10.465 15.359 1.00 0.29 C | |
| ATOM 246 NZ LYS 13 14.086 9.500 16.480 1.00 1.13 N | |
| ATOM 247 OXT LYS 13 19.125 12.635 16.701 1.00 1.39 O | |
| ATOM 248 H LYS 13 18.908 12.681 12.681 1.00 0.26 H | |
| ATOM 249 HA LYS 13 17.191 12.939 14.144 1.00 0.60 H | |
| ATOM 250 HB2 LYS 13 17.122 10.526 14.207 1.00 0.52 H | |
| ATOM 251 HB3 LYS 13 18.431 10.473 15.378 1.00 0.49 H | |
| ATOM 252 HG2 LYS 13 16.424 10.062 16.559 1.00 0.74 H | |
| ATOM 253 HG3 LYS 13 16.931 11.701 16.968 1.00 0.63 H | |
| ATOM 254 HD2 LYS 13 14.770 12.181 16.515 1.00 1.56 H | |
| ATOM 255 HD3 LYS 13 15.353 12.218 14.850 1.00 1.50 H | |
| ATOM 256 HE2 LYS 13 13.286 10.892 15.122 1.00 0.93 H | |
| ATOM 257 HE3 LYS 13 14.632 9.942 14.496 1.00 0.64 H | |
| ATOM 258 HZ1 LYS 13 13.705 9.986 17.318 1.00 1.65 H | |
| ATOM 259 HZ2 LYS 13 15.003 9.077 16.727 1.00 1.80 H | |
| ATOM 260 HZ3 LYS 13 13.431 8.740 16.206 1.00 1.60 H | |
| ATOM 261 CL CL 1 9.897 9.251 3.567 1.00 0.00 CL | |
| ATOM 262 O SPC 1 6.261 1.831 15.733 1.00 0.00 O | |
| ATOM 263 H1 SPC 1 6.919 1.134 15.447 1.00 0.00 H | |
| ATOM 264 H2 SPC 1 6.561 2.727 15.405 1.00 0.00 H | |
| ATOM 265 CL CL 2 7.297 8.301 18.972 1.00 0.00 CL | |
| ATOM 266 O SPC 2 5.298 13.416 16.279 1.00 0.00 O | |
| ATOM 267 H1 SPC 2 4.303 13.510 16.233 1.00 0.00 H | |
| ATOM 268 H2 SPC 2 5.652 13.988 17.019 1.00 0.00 H | |
| ATOM 269 CL CL 3 26.559 3.463 7.601 1.00 0.00 CL | |
| ATOM 270 O SPC 3 16.856 1.187 2.515 1.00 0.00 O | |
| ATOM 271 H1 SPC 3 15.863 1.216 2.634 1.00 0.00 H | |
| ATOM 272 H2 SPC 3 17.123 0.287 2.170 1.00 0.00 H | |
| ATOM 273 CL CL 4 23.395 17.562 10.867 1.00 0.00 CL | |
| ATOM 274 O SPC 4 18.956 17.830 1.634 1.00 0.00 O | |
| ATOM 275 H1 SPC 4 19.856 17.797 1.200 1.00 0.00 H | |
| ATOM 276 H2 SPC 4 19.055 17.682 2.618 1.00 0.00 H | |
| ATOM 277 CL CL 5 21.358 18.733 6.168 1.00 0.00 CL | |
| ATOM 278 O SPC 5 10.657 0.664 14.626 1.00 0.00 O | |
| ATOM 279 H1 SPC 5 10.920 -0.198 14.193 1.00 0.00 H | |
| ATOM 280 H2 SPC 5 11.426 1.018 15.158 1.00 0.00 H | |
| ATOM 281 CL CL 6 6.667 5.421 2.438 1.00 0.00 CL | |
| ATOM 282 O SPC 6 12.517 17.139 20.263 1.00 0.00 O | |
| ATOM 283 H1 SPC 6 12.551 16.600 19.421 1.00 0.00 H | |
| ATOM 284 H2 SPC 6 12.134 18.042 20.065 1.00 0.00 H | |
| ATOM 285 O SPC 7 19.141 10.625 1.841 1.00 0.00 O | |
| ATOM 286 H1 SPC 7 19.462 10.641 2.788 1.00 0.00 H | |
| ATOM 287 H2 SPC 7 19.510 11.414 1.350 1.00 0.00 H | |
| ATOM 288 O SPC 8 19.223 14.264 2.661 1.00 0.00 O | |
| ATOM 289 H1 SPC 8 19.942 14.112 1.984 1.00 0.00 H | |
| ATOM 290 H2 SPC 8 18.352 13.925 2.304 1.00 0.00 H | |
| ATOM 291 O SPC 9 13.406 17.838 5.743 1.00 0.00 O | |
| ATOM 292 H1 SPC 9 13.573 17.071 6.363 1.00 0.00 H | |
| ATOM 293 H2 SPC 9 12.463 17.800 5.413 1.00 0.00 H | |
| ATOM 294 O SPC 10 21.294 4.393 14.866 1.00 0.00 O | |
| ATOM 295 H1 SPC 10 21.576 3.433 14.878 1.00 0.00 H | |
| ATOM 296 H2 SPC 10 21.379 4.752 13.936 1.00 0.00 H | |
| ATOM 297 O SPC 11 5.918 15.436 18.750 1.00 0.00 O | |
| ATOM 298 H1 SPC 11 5.520 16.336 18.930 1.00 0.00 H | |
| ATOM 299 H2 SPC 11 5.291 14.725 19.067 1.00 0.00 H | |
| ATOM 300 O SPC 12 20.585 6.909 18.582 1.00 0.00 O | |
| ATOM 301 H1 SPC 12 20.293 6.188 19.210 1.00 0.00 H | |
| ATOM 302 H2 SPC 12 20.234 6.716 17.666 1.00 0.00 H | |
| ATOM 303 O SPC 13 12.344 7.267 18.653 1.00 0.00 O | |
| ATOM 304 H1 SPC 13 11.490 7.357 18.140 1.00 0.00 H | |
| ATOM 305 H2 SPC 13 12.474 6.312 18.921 1.00 0.00 H | |
| ATOM 306 O SPC 14 17.718 16.195 6.438 1.00 0.00 O | |
| ATOM 307 H1 SPC 14 17.305 17.003 6.858 1.00 0.00 H | |
| ATOM 308 H2 SPC 14 18.294 15.728 7.110 1.00 0.00 H | |
| ATOM 309 O SPC 15 9.912 14.515 19.459 1.00 0.00 O | |
| ATOM 310 H1 SPC 15 9.733 14.289 18.502 1.00 0.00 H | |
| ATOM 311 H2 SPC 15 10.550 15.284 19.507 1.00 0.00 H | |
| ATOM 312 O SPC 16 11.920 11.940 19.925 1.00 0.00 O | |
| ATOM 313 H1 SPC 16 11.855 12.599 20.675 1.00 0.00 H | |
| ATOM 314 H2 SPC 16 11.004 11.626 19.677 1.00 0.00 H | |
| ATOM 315 O SPC 17 20.400 3.866 3.797 1.00 0.00 O | |
| ATOM 316 H1 SPC 17 20.658 4.772 3.463 1.00 0.00 H | |
| ATOM 317 H2 SPC 17 19.636 3.516 3.256 1.00 0.00 H | |
| ATOM 318 O SPC 18 5.982 15.132 12.363 1.00 0.00 O | |
| ATOM 319 H1 SPC 18 5.536 14.306 12.019 1.00 0.00 H | |
| ATOM 320 H2 SPC 18 5.857 15.876 11.707 1.00 0.00 H | |
| ATOM 321 O SPC 19 11.014 3.970 20.071 1.00 0.00 O | |
| ATOM 322 H1 SPC 19 11.995 4.059 19.901 1.00 0.00 H | |
| ATOM 323 H2 SPC 19 10.838 3.125 20.576 1.00 0.00 H | |
| ATOM 324 O SPC 20 4.258 13.880 3.901 1.00 0.00 O | |
| ATOM 325 H1 SPC 20 3.792 13.612 4.744 1.00 0.00 H | |
| ATOM 326 H2 SPC 20 5.219 14.073 4.097 1.00 0.00 H | |
| ATOM 327 O SPC 21 14.164 1.782 2.849 1.00 0.00 O | |
| ATOM 328 H1 SPC 21 14.182 2.690 2.429 1.00 0.00 H | |
| ATOM 329 H2 SPC 21 13.232 1.567 3.140 1.00 0.00 H | |
| ATOM 330 O SPC 22 7.985 3.467 7.556 1.00 0.00 O | |
| ATOM 331 H1 SPC 22 7.309 4.176 7.754 1.00 0.00 H | |
| ATOM 332 H2 SPC 22 7.836 2.686 8.163 1.00 0.00 H | |
| ATOM 333 O SPC 23 16.618 17.897 11.065 1.00 0.00 O | |
| ATOM 334 H1 SPC 23 17.509 18.275 11.316 1.00 0.00 H | |
| ATOM 335 H2 SPC 23 16.063 18.608 10.634 1.00 0.00 H | |
| ATOM 336 O SPC 24 11.707 1.635 4.132 1.00 0.00 O | |
| ATOM 337 H1 SPC 24 11.422 1.100 4.927 1.00 0.00 H | |
| ATOM 338 H2 SPC 24 12.027 2.534 4.432 1.00 0.00 H | |
| ATOM 339 O SPC 25 10.599 2.726 7.183 1.00 0.00 O | |
| ATOM 340 H1 SPC 25 9.633 2.922 7.352 1.00 0.00 H | |
| ATOM 341 H2 SPC 25 10.837 1.844 7.589 1.00 0.00 H | |
| ATOM 342 O SPC 26 7.809 10.947 16.146 1.00 0.00 O | |
| ATOM 343 H1 SPC 26 8.603 11.000 16.752 1.00 0.00 H | |
| ATOM 344 H2 SPC 26 7.188 10.234 16.472 1.00 0.00 H | |
| ATOM 345 O SPC 27 19.669 18.552 11.161 1.00 0.00 O | |
| ATOM 346 H1 SPC 27 19.731 18.823 10.200 1.00 0.00 H | |
| ATOM 347 H2 SPC 27 20.224 17.734 11.314 1.00 0.00 H | |
| ATOM 348 O SPC 28 4.856 18.276 3.656 1.00 0.00 O | |
| ATOM 349 H1 SPC 28 5.410 18.559 4.438 1.00 0.00 H | |
| ATOM 350 H2 SPC 28 4.204 17.575 3.945 1.00 0.00 H | |
| ATOM 351 O SPC 29 21.625 1.298 18.698 1.00 0.00 O | |
| ATOM 352 H1 SPC 29 22.155 2.125 18.510 1.00 0.00 H | |
| ATOM 353 H2 SPC 29 21.384 1.270 19.668 1.00 0.00 H | |
| ATOM 354 O SPC 30 16.688 18.172 7.860 1.00 0.00 O | |
| ATOM 355 H1 SPC 30 16.240 18.965 7.448 1.00 0.00 H | |
| ATOM 356 H2 SPC 30 17.356 18.480 8.537 1.00 0.00 H | |
| ATOM 357 O SPC 31 8.823 17.984 4.545 1.00 0.00 O | |
| ATOM 358 H1 SPC 31 9.592 17.404 4.276 1.00 0.00 H | |
| ATOM 359 H2 SPC 31 8.400 18.376 3.728 1.00 0.00 H | |
| ATOM 360 O SPC 32 4.721 3.752 18.667 1.00 0.00 O | |
| ATOM 361 H1 SPC 32 5.555 4.251 18.430 1.00 0.00 H | |
| ATOM 362 H2 SPC 32 4.061 4.381 19.077 1.00 0.00 H | |
| ATOM 363 O SPC 33 14.212 4.749 2.506 1.00 0.00 O | |
| ATOM 364 H1 SPC 33 14.108 4.871 3.493 1.00 0.00 H | |
| ATOM 365 H2 SPC 33 14.965 5.318 2.177 1.00 0.00 H | |
| ATOM 366 O SPC 34 9.087 4.361 4.883 1.00 0.00 O | |
| ATOM 367 H1 SPC 34 9.043 3.762 4.084 1.00 0.00 H | |
| ATOM 368 H2 SPC 34 9.715 3.973 5.557 1.00 0.00 H | |
| ATOM 369 O SPC 35 22.138 17.630 16.643 1.00 0.00 O | |
| ATOM 370 H1 SPC 35 23.135 17.693 16.598 1.00 0.00 H | |
| ATOM 371 H2 SPC 35 21.813 18.074 17.478 1.00 0.00 H | |
| ATOM 372 O SPC 36 6.593 1.462 18.547 1.00 0.00 O | |
| ATOM 373 H1 SPC 36 6.607 1.684 17.572 1.00 0.00 H | |
| ATOM 374 H2 SPC 36 5.915 2.033 19.009 1.00 0.00 H | |
| ATOM 375 O SPC 37 19.103 16.688 4.060 1.00 0.00 O | |
| ATOM 376 H1 SPC 37 18.866 15.885 3.513 1.00 0.00 H | |
| ATOM 377 H2 SPC 37 18.602 16.663 4.925 1.00 0.00 H | |
| ATOM 378 O SPC 38 6.487 1.180 12.550 1.00 0.00 O | |
| ATOM 379 H1 SPC 38 6.846 0.976 13.460 1.00 0.00 H | |
| ATOM 380 H2 SPC 38 6.402 2.171 12.440 1.00 0.00 H | |
| ATOM 381 O SPC 39 7.987 18.699 14.735 1.00 0.00 O | |
| ATOM 382 H1 SPC 39 8.933 19.008 14.834 1.00 0.00 H | |
| ATOM 383 H2 SPC 39 7.977 17.762 14.385 1.00 0.00 H | |
| ATOM 384 O SPC 40 9.451 3.332 15.442 1.00 0.00 O | |
| ATOM 385 H1 SPC 40 9.442 2.387 15.117 1.00 0.00 H | |
| ATOM 386 H2 SPC 40 9.388 3.954 14.661 1.00 0.00 H | |
| ATOM 387 O SPC 41 14.629 17.007 17.563 1.00 0.00 O | |
| ATOM 388 H1 SPC 41 15.022 16.841 18.467 1.00 0.00 H | |
| ATOM 389 H2 SPC 41 15.255 16.667 16.860 1.00 0.00 H | |
| ATOM 390 O SPC 42 18.095 18.198 17.459 1.00 0.00 O | |
| ATOM 391 H1 SPC 42 17.283 18.734 17.689 1.00 0.00 H | |
| ATOM 392 H2 SPC 42 18.620 18.016 18.291 1.00 0.00 H | |
| ATOM 393 O SPC 43 7.751 12.684 2.074 1.00 0.00 O | |
| ATOM 394 H1 SPC 43 8.272 13.385 1.587 1.00 0.00 H | |
| ATOM 395 H2 SPC 43 6.906 12.491 1.576 1.00 0.00 H | |
| ATOM 396 O SPC 44 6.761 14.926 4.575 1.00 0.00 O | |
| ATOM 397 H1 SPC 44 7.479 14.385 5.013 1.00 0.00 H | |
| ATOM 398 H2 SPC 44 7.103 15.298 3.712 1.00 0.00 H | |
| ATOM 399 O SPC 45 21.072 2.084 12.096 1.00 0.00 O | |
| ATOM 400 H1 SPC 45 20.445 1.317 11.959 1.00 0.00 H | |
| ATOM 401 H2 SPC 45 21.539 1.979 12.974 1.00 0.00 H | |
| ATOM 402 O SPC 46 9.511 4.678 17.663 1.00 0.00 O | |
| ATOM 403 H1 SPC 46 9.351 4.034 16.915 1.00 0.00 H | |
| ATOM 404 H2 SPC 46 9.858 4.184 18.460 1.00 0.00 H | |
| ATOM 405 O SPC 47 19.135 9.231 18.266 1.00 0.00 O | |
| ATOM 406 H1 SPC 47 19.818 8.510 18.383 1.00 0.00 H | |
| ATOM 407 H2 SPC 47 19.085 9.783 19.098 1.00 0.00 H | |
| ATOM 408 O SPC 48 6.482 5.844 8.313 1.00 0.00 O | |
| ATOM 409 H1 SPC 48 6.638 5.763 9.297 1.00 0.00 H | |
| ATOM 410 H2 SPC 48 5.544 5.572 8.100 1.00 0.00 H | |
| ATOM 411 O SPC 49 5.359 17.384 8.062 1.00 0.00 O | |
| ATOM 412 H1 SPC 49 5.184 17.496 9.040 1.00 0.00 H | |
| ATOM 413 H2 SPC 49 5.918 18.145 7.734 1.00 0.00 H | |
| ATOM 414 O SPC 50 13.657 4.551 5.299 1.00 0.00 O | |
| ATOM 415 H1 SPC 50 14.115 4.420 6.178 1.00 0.00 H | |
| ATOM 416 H2 SPC 50 13.042 5.338 5.357 1.00 0.00 H | |
| ATOM 417 O SPC 51 16.589 6.095 2.292 1.00 0.00 O | |
| ATOM 418 H1 SPC 51 16.819 6.762 2.999 1.00 0.00 H | |
| ATOM 419 H2 SPC 51 17.197 5.304 2.368 1.00 0.00 H | |
| ATOM 420 O SPC 52 9.029 0.856 11.098 1.00 0.00 O | |
| ATOM 421 H1 SPC 52 9.717 0.588 11.772 1.00 0.00 H | |
| ATOM 422 H2 SPC 52 8.116 0.681 11.466 1.00 0.00 H | |
| ATOM 423 O SPC 53 11.303 0.988 19.585 1.00 0.00 O | |
| ATOM 424 H1 SPC 53 10.559 0.668 18.998 1.00 0.00 H | |
| ATOM 425 H2 SPC 53 10.933 1.255 20.475 1.00 0.00 H | |
| ATOM 426 O SPC 54 22.625 4.355 7.686 1.00 0.00 O | |
| ATOM 427 H1 SPC 54 22.459 3.600 7.052 1.00 0.00 H | |
| ATOM 428 H2 SPC 54 22.613 4.011 8.625 1.00 0.00 H | |
| ATOM 429 O SPC 55 14.411 16.629 3.546 1.00 0.00 O | |
| ATOM 430 H1 SPC 55 14.129 17.141 4.357 1.00 0.00 H | |
| ATOM 431 H2 SPC 55 13.960 17.009 2.738 1.00 0.00 H | |
| ATOM 432 O SPC 56 12.497 15.449 17.708 1.00 0.00 O | |
| ATOM 433 H1 SPC 56 13.385 15.901 17.618 1.00 0.00 H | |
| ATOM 434 H2 SPC 56 12.620 14.458 17.649 1.00 0.00 H | |
| ATOM 435 O SPC 57 10.650 18.495 6.345 1.00 0.00 O | |
| ATOM 436 H1 SPC 57 10.490 18.642 7.321 1.00 0.00 H | |
| ATOM 437 H2 SPC 57 9.863 18.026 5.945 1.00 0.00 H | |
| ATOM 438 O SPC 58 9.230 18.485 18.121 1.00 0.00 O | |
| ATOM 439 H1 SPC 58 8.475 19.011 17.729 1.00 0.00 H | |
| ATOM 440 H2 SPC 58 9.326 17.621 17.627 1.00 0.00 H | |
| ATOM 441 O SPC 59 5.443 11.472 19.165 1.00 0.00 O | |
| ATOM 442 H1 SPC 59 5.348 10.913 18.342 1.00 0.00 H | |
| ATOM 443 H2 SPC 59 5.660 10.884 19.944 1.00 0.00 H | |
| ATOM 444 O SPC 60 5.856 9.963 2.730 1.00 0.00 O | |
| ATOM 445 H1 SPC 60 5.040 9.579 3.160 1.00 0.00 H | |
| ATOM 446 H2 SPC 60 6.658 9.754 3.290 1.00 0.00 H | |
| ATOM 447 O SPC 61 4.298 13.641 19.867 1.00 0.00 O | |
| ATOM 448 H1 SPC 61 4.782 12.820 19.565 1.00 0.00 H | |
| ATOM 449 H2 SPC 61 4.093 13.567 20.843 1.00 0.00 H | |
| ATOM 450 O SPC 62 22.334 1.767 14.655 1.00 0.00 O | |
| ATOM 451 H1 SPC 62 21.720 1.051 14.988 1.00 0.00 H | |
| ATOM 452 H2 SPC 62 23.132 1.828 15.255 1.00 0.00 H | |
| ATOM 453 O SPC 63 4.784 17.732 19.659 1.00 0.00 O | |
| ATOM 454 H1 SPC 63 4.767 17.787 20.657 1.00 0.00 H | |
| ATOM 455 H2 SPC 63 4.976 18.637 19.278 1.00 0.00 H | |
| ATOM 456 O SPC 64 11.068 16.275 3.866 1.00 0.00 O | |
| ATOM 457 H1 SPC 64 11.664 16.630 3.146 1.00 0.00 H | |
| ATOM 458 H2 SPC 64 11.200 15.288 3.953 1.00 0.00 H | |
| ATOM 459 O SPC 65 20.355 4.147 17.856 1.00 0.00 O | |
| ATOM 460 H1 SPC 65 20.727 3.808 16.991 1.00 0.00 H | |
| ATOM 461 H2 SPC 65 19.392 3.888 17.928 1.00 0.00 H | |
| ATOM 462 O SPC 66 4.815 17.547 10.820 1.00 0.00 O | |
| ATOM 463 H1 SPC 66 4.152 16.921 11.231 1.00 0.00 H | |
| ATOM 464 H2 SPC 66 4.746 18.442 11.259 1.00 0.00 H | |
| ATOM 465 O SPC 67 22.062 9.053 3.444 1.00 0.00 O | |
| ATOM 466 H1 SPC 67 21.873 8.526 2.616 1.00 0.00 H | |
| ATOM 467 H2 SPC 67 21.212 9.454 3.785 1.00 0.00 H | |
| ATOM 468 O SPC 68 6.834 0.527 6.251 1.00 0.00 O | |
| ATOM 469 H1 SPC 68 7.614 0.241 5.695 1.00 0.00 H | |
| ATOM 470 H2 SPC 68 6.765 1.524 6.241 1.00 0.00 H | |
| ATOM 471 O SPC 69 12.762 17.941 10.027 1.00 0.00 O | |
| ATOM 472 H1 SPC 69 13.754 18.035 10.105 1.00 0.00 H | |
| ATOM 473 H2 SPC 69 12.477 17.071 10.430 1.00 0.00 H | |
| ATOM 474 O SPC 70 16.766 13.324 20.246 1.00 0.00 O | |
| ATOM 475 H1 SPC 70 16.271 12.562 20.663 1.00 0.00 H | |
| ATOM 476 H2 SPC 70 16.680 13.274 19.251 1.00 0.00 H | |
| ATOM 477 O SPC 71 7.652 16.077 2.148 1.00 0.00 O | |
| ATOM 478 H1 SPC 71 7.170 15.894 1.291 1.00 0.00 H | |
| ATOM 479 H2 SPC 71 8.576 15.696 2.098 1.00 0.00 H | |
| ATOM 480 O SPC 72 16.286 15.930 19.543 1.00 0.00 O | |
| ATOM 481 H1 SPC 72 16.200 15.181 20.200 1.00 0.00 H | |
| ATOM 482 H2 SPC 72 17.041 16.527 19.814 1.00 0.00 H | |
| ATOM 483 O SPC 73 13.664 1.172 12.470 1.00 0.00 O | |
| ATOM 484 H1 SPC 73 14.046 0.867 11.598 1.00 0.00 H | |
| ATOM 485 H2 SPC 73 13.463 2.150 12.423 1.00 0.00 H | |
| ATOM 486 O SPC 74 6.873 1.924 9.405 1.00 0.00 O | |
| ATOM 487 H1 SPC 74 7.192 1.611 10.300 1.00 0.00 H | |
| ATOM 488 H2 SPC 74 5.956 2.313 9.495 1.00 0.00 H | |
| ATOM 489 O SPC 75 8.784 6.377 6.759 1.00 0.00 O | |
| ATOM 490 H1 SPC 75 7.952 6.473 7.305 1.00 0.00 H | |
| ATOM 491 H2 SPC 75 8.718 5.556 6.192 1.00 0.00 H | |
| ATOM 492 O SPC 76 17.750 3.671 2.186 1.00 0.00 O | |
| ATOM 493 H1 SPC 76 17.577 2.712 2.411 1.00 0.00 H | |
| ATOM 494 H2 SPC 76 17.853 3.768 1.196 1.00 0.00 H | |
| ATOM 495 O SPC 77 15.646 14.881 5.366 1.00 0.00 O | |
| ATOM 496 H1 SPC 77 16.376 15.291 5.913 1.00 0.00 H | |
| ATOM 497 H2 SPC 77 15.259 15.572 4.756 1.00 0.00 H | |
| ATOM 498 O SPC 78 7.903 16.016 13.873 1.00 0.00 O | |
| ATOM 499 H1 SPC 78 7.006 15.938 13.438 1.00 0.00 H | |
| ATOM 500 H2 SPC 78 7.864 15.618 14.790 1.00 0.00 H | |
| ATOM 501 O SPC 79 13.572 16.924 13.138 1.00 0.00 O | |
| ATOM 502 H1 SPC 79 13.432 17.856 12.803 1.00 0.00 H | |
| ATOM 503 H2 SPC 79 12.685 16.485 13.282 1.00 0.00 H | |
| ATOM 504 O SPC 80 16.856 1.187 21.136 1.00 0.00 O | |
| ATOM 505 H1 SPC 80 15.863 1.216 21.255 1.00 0.00 H | |
| ATOM 506 H2 SPC 80 17.123 0.287 20.791 1.00 0.00 H | |
| ATOM 507 O SPC 81 18.956 17.830 20.255 1.00 0.00 O | |
| ATOM 508 H1 SPC 81 19.856 17.797 19.821 1.00 0.00 H | |
| ATOM 509 H2 SPC 81 19.055 17.682 21.239 1.00 0.00 H | |
| ATOM 510 O SPC 82 12.517 17.139 1.642 1.00 0.00 O | |
| ATOM 511 H1 SPC 82 12.551 16.600 0.800 1.00 0.00 H | |
| ATOM 512 H2 SPC 82 12.134 18.042 1.445 1.00 0.00 H | |
| ATOM 513 O SPC 83 19.141 10.625 20.461 1.00 0.00 O | |
| ATOM 514 H1 SPC 83 19.462 10.641 21.408 1.00 0.00 H | |
| ATOM 515 H2 SPC 83 19.510 11.414 19.971 1.00 0.00 H | |
| ATOM 516 O SPC 84 9.912 14.515 0.839 1.00 0.00 O | |
| ATOM 517 H1 SPC 84 9.733 14.289 -0.119 1.00 0.00 H | |
| ATOM 518 H2 SPC 84 10.550 15.284 0.886 1.00 0.00 H | |
| ATOM 519 O SPC 85 11.014 3.970 1.451 1.00 0.00 O | |
| ATOM 520 H1 SPC 85 11.995 4.059 1.280 1.00 0.00 H | |
| ATOM 521 H2 SPC 85 10.838 3.125 1.956 1.00 0.00 H | |
| ATOM 522 O SPC 86 7.751 12.684 20.695 1.00 0.00 O | |
| ATOM 523 H1 SPC 86 8.272 13.385 20.207 1.00 0.00 H | |
| ATOM 524 H2 SPC 86 6.906 12.491 20.197 1.00 0.00 H | |
| ATOM 525 O SPC 87 16.589 6.095 20.912 1.00 0.00 O | |
| ATOM 526 H1 SPC 87 16.819 6.762 21.620 1.00 0.00 H | |
| ATOM 527 H2 SPC 87 17.197 5.304 20.989 1.00 0.00 H | |
| ATOM 528 O SPC 88 11.303 0.988 0.965 1.00 0.00 O | |
| ATOM 529 H1 SPC 88 10.559 0.668 0.377 1.00 0.00 H | |
| ATOM 530 H2 SPC 88 10.933 1.255 1.854 1.00 0.00 H | |
| ATOM 531 O SPC 89 4.298 13.641 1.247 1.00 0.00 O | |
| ATOM 532 H1 SPC 89 4.782 12.820 0.945 1.00 0.00 H | |
| ATOM 533 H2 SPC 89 4.093 13.567 2.223 1.00 0.00 H | |
| ATOM 534 O SPC 90 4.784 17.732 1.038 1.00 0.00 O | |
| ATOM 535 H1 SPC 90 4.767 17.787 2.036 1.00 0.00 H | |
| ATOM 536 H2 SPC 90 4.976 18.637 0.658 1.00 0.00 H | |
| ATOM 537 O SPC 91 16.766 13.324 1.625 1.00 0.00 O | |
| ATOM 538 H1 SPC 91 16.271 12.562 2.042 1.00 0.00 H | |
| ATOM 539 H2 SPC 91 16.680 13.274 0.630 1.00 0.00 H | |
| ATOM 540 O SPC 92 7.652 16.077 20.768 1.00 0.00 O | |
| ATOM 541 H1 SPC 92 7.170 15.894 19.911 1.00 0.00 H | |
| ATOM 542 H2 SPC 92 8.576 15.696 20.719 1.00 0.00 H | |
| ATOM 543 O SPC 93 16.286 15.930 0.922 1.00 0.00 O | |
| ATOM 544 H1 SPC 93 16.200 15.181 1.579 1.00 0.00 H | |
| ATOM 545 H2 SPC 93 17.041 16.527 1.193 1.00 0.00 H | |
| ATOM 546 O SPC 94 17.750 3.671 20.807 1.00 0.00 O | |
| ATOM 547 H1 SPC 94 17.577 2.712 21.032 1.00 0.00 H | |
| ATOM 548 H2 SPC 94 17.853 3.768 19.817 1.00 0.00 H | |
| ATOM 549 O SPC 95 24.882 1.831 15.733 1.00 0.00 O | |
| ATOM 550 H1 SPC 95 25.540 1.134 15.447 1.00 0.00 H | |
| ATOM 551 H2 SPC 95 25.182 2.727 15.405 1.00 0.00 H | |
| ATOM 552 O SPC 96 1.798 12.257 13.339 1.00 0.00 O | |
| ATOM 553 H1 SPC 96 2.693 11.812 13.387 1.00 0.00 H | |
| ATOM 554 H2 SPC 96 1.099 11.577 13.117 1.00 0.00 H | |
| ATOM 555 O SPC 97 23.919 13.416 16.279 1.00 0.00 O | |
| ATOM 556 H1 SPC 97 22.924 13.510 16.233 1.00 0.00 H | |
| ATOM 557 H2 SPC 97 24.273 13.988 17.019 1.00 0.00 H | |
| ATOM 558 O SPC 98 1.285 12.800 5.118 1.00 0.00 O | |
| ATOM 559 H1 SPC 98 0.812 13.133 5.933 1.00 0.00 H | |
| ATOM 560 H2 SPC 98 1.074 13.395 4.343 1.00 0.00 H | |
| ATOM 561 O SPC 99 23.846 12.106 7.927 1.00 0.00 O | |
| ATOM 562 H1 SPC 99 23.104 11.507 7.628 1.00 0.00 H | |
| ATOM 563 H2 SPC 99 23.575 13.061 7.800 1.00 0.00 H | |
| ATOM 564 O SPC 100 0.520 10.625 1.841 1.00 0.00 O | |
| ATOM 565 H1 SPC 100 0.842 10.641 2.788 1.00 0.00 H | |
| ATOM 566 H2 SPC 100 0.889 11.414 1.350 1.00 0.00 H | |
| ATOM 567 O SPC 101 0.602 14.264 2.661 1.00 0.00 O | |
| ATOM 568 H1 SPC 101 1.322 14.112 1.984 1.00 0.00 H | |
| ATOM 569 H2 SPC 101 -0.269 13.925 2.304 1.00 0.00 H | |
| ATOM 570 O SPC 102 26.321 8.416 4.919 1.00 0.00 O | |
| ATOM 571 H1 SPC 102 25.775 8.888 5.611 1.00 0.00 H | |
| ATOM 572 H2 SPC 102 26.424 7.455 5.175 1.00 0.00 H | |
| ATOM 573 O SPC 103 24.539 15.436 18.750 1.00 0.00 O | |
| ATOM 574 H1 SPC 103 24.141 16.336 18.930 1.00 0.00 H | |
| ATOM 575 H2 SPC 103 23.911 14.725 19.067 1.00 0.00 H | |
| ATOM 576 O SPC 104 1.965 6.909 18.582 1.00 0.00 O | |
| ATOM 577 H1 SPC 104 1.673 6.188 19.210 1.00 0.00 H | |
| ATOM 578 H2 SPC 104 1.614 6.716 17.666 1.00 0.00 H | |
| ATOM 579 O SPC 105 26.115 9.341 9.983 1.00 0.00 O | |
| ATOM 580 H1 SPC 105 26.904 8.833 9.641 1.00 0.00 H | |
| ATOM 581 H2 SPC 105 26.403 9.944 10.728 1.00 0.00 H | |
| ATOM 582 O SPC 106 2.876 18.601 9.014 1.00 0.00 O | |
| ATOM 583 H1 SPC 106 3.273 17.956 9.667 1.00 0.00 H | |
| ATOM 584 H2 SPC 106 3.358 18.530 8.141 1.00 0.00 H | |
| ATOM 585 O SPC 107 1.245 10.221 4.500 1.00 0.00 O | |
| ATOM 586 H1 SPC 107 0.662 9.700 5.123 1.00 0.00 H | |
| ATOM 587 H2 SPC 107 1.118 11.200 4.666 1.00 0.00 H | |
| ATOM 588 O SPC 108 3.411 2.574 5.422 1.00 0.00 O | |
| ATOM 589 H1 SPC 108 2.956 3.365 5.014 1.00 0.00 H | |
| ATOM 590 H2 SPC 108 4.367 2.800 5.611 1.00 0.00 H | |
| ATOM 591 O SPC 109 1.780 3.866 3.797 1.00 0.00 O | |
| ATOM 592 H1 SPC 109 2.038 4.772 3.463 1.00 0.00 H | |
| ATOM 593 H2 SPC 109 1.015 3.516 3.256 1.00 0.00 H | |
| ATOM 594 O SPC 110 2.715 18.729 6.229 1.00 0.00 O | |
| ATOM 595 H1 SPC 110 2.720 17.982 5.564 1.00 0.00 H | |
| ATOM 596 H2 SPC 110 3.101 19.551 5.809 1.00 0.00 H | |
| ATOM 597 O SPC 111 22.878 13.880 3.901 1.00 0.00 O | |
| ATOM 598 H1 SPC 111 22.413 13.612 4.744 1.00 0.00 H | |
| ATOM 599 H2 SPC 111 23.839 14.073 4.097 1.00 0.00 H | |
| ATOM 600 O SPC 112 3.617 5.961 5.521 1.00 0.00 O | |
| ATOM 601 H1 SPC 112 4.024 5.242 6.085 1.00 0.00 H | |
| ATOM 602 H2 SPC 112 3.974 6.850 5.806 1.00 0.00 H | |
| ATOM 603 O SPC 113 24.422 7.751 13.389 1.00 0.00 O | |
| ATOM 604 H1 SPC 113 24.196 7.067 12.695 1.00 0.00 H | |
| ATOM 605 H2 SPC 113 23.723 8.466 13.391 1.00 0.00 H | |
| ATOM 606 O SPC 114 26.430 10.947 16.146 1.00 0.00 O | |
| ATOM 607 H1 SPC 114 27.224 11.000 16.752 1.00 0.00 H | |
| ATOM 608 H2 SPC 114 25.809 10.234 16.472 1.00 0.00 H | |
| ATOM 609 O SPC 115 1.049 18.552 11.161 1.00 0.00 O | |
| ATOM 610 H1 SPC 115 1.110 18.823 10.200 1.00 0.00 H | |
| ATOM 611 H2 SPC 115 1.603 17.734 11.314 1.00 0.00 H | |
| ATOM 612 O SPC 116 3.005 1.298 18.698 1.00 0.00 O | |
| ATOM 613 H1 SPC 116 3.534 2.125 18.510 1.00 0.00 H | |
| ATOM 614 H2 SPC 116 2.763 1.270 19.668 1.00 0.00 H | |
| ATOM 615 O SPC 117 26.598 10.908 12.079 1.00 0.00 O | |
| ATOM 616 H1 SPC 117 25.918 11.051 12.798 1.00 0.00 H | |
| ATOM 617 H2 SPC 117 27.516 10.953 12.474 1.00 0.00 H | |
| ATOM 618 O SPC 118 23.342 3.752 18.667 1.00 0.00 O | |
| ATOM 619 H1 SPC 118 24.175 4.251 18.430 1.00 0.00 H | |
| ATOM 620 H2 SPC 118 22.682 4.381 19.077 1.00 0.00 H | |
| ATOM 621 O SPC 119 3.517 17.630 16.643 1.00 0.00 O | |
| ATOM 622 H1 SPC 119 4.514 17.693 16.598 1.00 0.00 H | |
| ATOM 623 H2 SPC 119 3.192 18.074 17.478 1.00 0.00 H | |
| ATOM 624 O SPC 120 25.214 1.462 18.547 1.00 0.00 O | |
| ATOM 625 H1 SPC 120 25.228 1.684 17.572 1.00 0.00 H | |
| ATOM 626 H2 SPC 120 24.535 2.033 19.009 1.00 0.00 H | |
| ATOM 627 O SPC 121 0.544 13.127 7.849 1.00 0.00 O | |
| ATOM 628 H1 SPC 121 -0.134 12.468 8.174 1.00 0.00 H | |
| ATOM 629 H2 SPC 121 0.538 13.932 8.443 1.00 0.00 H | |
| ATOM 630 O SPC 122 0.483 16.688 4.060 1.00 0.00 O | |
| ATOM 631 H1 SPC 122 0.246 15.885 3.513 1.00 0.00 H | |
| ATOM 632 H2 SPC 122 -0.018 16.663 4.925 1.00 0.00 H | |
| ATOM 633 O SPC 123 2.700 7.033 8.371 1.00 0.00 O | |
| ATOM 634 H1 SPC 123 3.508 7.041 8.961 1.00 0.00 H | |
| ATOM 635 H2 SPC 123 2.819 6.348 7.652 1.00 0.00 H | |
| ATOM 636 O SPC 124 25.601 5.623 10.942 1.00 0.00 O | |
| ATOM 637 H1 SPC 124 26.518 5.406 10.607 1.00 0.00 H | |
| ATOM 638 H2 SPC 124 25.335 4.958 11.640 1.00 0.00 H | |
| ATOM 639 O SPC 125 2.679 1.302 2.905 1.00 0.00 O | |
| ATOM 640 H1 SPC 125 3.629 1.006 3.005 1.00 0.00 H | |
| ATOM 641 H2 SPC 125 2.476 2.007 3.584 1.00 0.00 H | |
| ATOM 642 O SPC 126 2.840 16.317 12.099 1.00 0.00 O | |
| ATOM 643 H1 SPC 126 3.113 15.972 12.997 1.00 0.00 H | |
| ATOM 644 H2 SPC 126 2.173 15.693 11.691 1.00 0.00 H | |
| ATOM 645 O SPC 127 1.342 6.630 4.320 1.00 0.00 O | |
| ATOM 646 H1 SPC 127 0.648 6.245 4.929 1.00 0.00 H | |
| ATOM 647 H2 SPC 127 2.225 6.647 4.789 1.00 0.00 H | |
| ATOM 648 O SPC 128 25.243 5.398 2.478 1.00 0.00 O | |
| ATOM 649 H1 SPC 128 26.163 5.688 2.741 1.00 0.00 H | |
| ATOM 650 H2 SPC 128 25.119 5.533 1.495 1.00 0.00 H | |
| ATOM 651 O SPC 129 4.116 2.589 9.891 1.00 0.00 O | |
| ATOM 652 H1 SPC 129 3.309 2.104 9.553 1.00 0.00 H | |
| ATOM 653 H2 SPC 129 3.897 3.033 10.760 1.00 0.00 H | |
| ATOM 654 O SPC 130 26.607 18.699 14.735 1.00 0.00 O | |
| ATOM 655 H1 SPC 130 27.554 19.008 14.834 1.00 0.00 H | |
| ATOM 656 H2 SPC 130 26.597 17.762 14.385 1.00 0.00 H | |
| ATOM 657 O SPC 131 26.372 12.684 2.074 1.00 0.00 O | |
| ATOM 658 H1 SPC 131 26.893 13.385 1.587 1.00 0.00 H | |
| ATOM 659 H2 SPC 131 25.527 12.491 1.576 1.00 0.00 H | |
| ATOM 660 O SPC 132 23.812 14.967 7.121 1.00 0.00 O | |
| ATOM 661 H1 SPC 132 24.197 15.006 6.198 1.00 0.00 H | |
| ATOM 662 H2 SPC 132 23.813 15.884 7.521 1.00 0.00 H | |
| ATOM 663 O SPC 133 2.108 12.809 18.973 1.00 0.00 O | |
| ATOM 664 H1 SPC 133 1.942 13.016 18.009 1.00 0.00 H | |
| ATOM 665 H2 SPC 133 3.015 13.141 19.234 1.00 0.00 H | |
| ATOM 666 O SPC 134 0.682 14.342 11.973 1.00 0.00 O | |
| ATOM 667 H1 SPC 134 1.014 13.536 12.464 1.00 0.00 H | |
| ATOM 668 H2 SPC 134 -0.119 14.094 11.429 1.00 0.00 H | |
| ATOM 669 O SPC 135 25.381 14.926 4.575 1.00 0.00 O | |
| ATOM 670 H1 SPC 135 26.099 14.385 5.013 1.00 0.00 H | |
| ATOM 671 H2 SPC 135 25.723 15.298 3.712 1.00 0.00 H | |
| ATOM 672 O SPC 136 23.022 6.220 16.426 1.00 0.00 O | |
| ATOM 673 H1 SPC 136 22.991 6.151 17.423 1.00 0.00 H | |
| ATOM 674 H2 SPC 136 22.351 5.595 16.027 1.00 0.00 H | |
| ATOM 675 O SPC 137 25.409 5.467 18.293 1.00 0.00 O | |
| ATOM 676 H1 SPC 137 25.493 6.419 18.589 1.00 0.00 H | |
| ATOM 677 H2 SPC 137 26.320 5.062 18.213 1.00 0.00 H | |
| ATOM 678 O SPC 138 0.514 9.231 18.266 1.00 0.00 O | |
| ATOM 679 H1 SPC 138 1.197 8.510 18.383 1.00 0.00 H | |
| ATOM 680 H2 SPC 138 0.465 9.783 19.098 1.00 0.00 H | |
| ATOM 681 O SPC 139 2.630 13.525 16.202 1.00 0.00 O | |
| ATOM 682 H1 SPC 139 2.685 14.435 15.789 1.00 0.00 H | |
| ATOM 683 H2 SPC 139 1.786 13.077 15.909 1.00 0.00 H | |
| ATOM 684 O SPC 140 4.004 4.355 7.686 1.00 0.00 O | |
| ATOM 685 H1 SPC 140 3.838 3.600 7.052 1.00 0.00 H | |
| ATOM 686 H2 SPC 140 3.992 4.011 8.625 1.00 0.00 H | |
| ATOM 687 O SPC 141 24.064 11.472 19.165 1.00 0.00 O | |
| ATOM 688 H1 SPC 141 23.969 10.913 18.342 1.00 0.00 H | |
| ATOM 689 H2 SPC 141 24.281 10.884 19.944 1.00 0.00 H | |
| ATOM 690 O SPC 142 24.477 9.963 2.730 1.00 0.00 O | |
| ATOM 691 H1 SPC 142 23.660 9.579 3.160 1.00 0.00 H | |
| ATOM 692 H2 SPC 142 25.279 9.754 3.290 1.00 0.00 H | |
| ATOM 693 O SPC 143 22.918 13.641 19.867 1.00 0.00 O | |
| ATOM 694 H1 SPC 143 23.403 12.820 19.565 1.00 0.00 H | |
| ATOM 695 H2 SPC 143 22.713 13.567 20.843 1.00 0.00 H | |
| ATOM 696 O SPC 144 3.714 1.767 14.655 1.00 0.00 O | |
| ATOM 697 H1 SPC 144 3.100 1.051 14.988 1.00 0.00 H | |
| ATOM 698 H2 SPC 144 4.511 1.828 15.255 1.00 0.00 H | |
| ATOM 699 O SPC 145 23.405 17.732 19.659 1.00 0.00 O | |
| ATOM 700 H1 SPC 145 23.388 17.787 20.657 1.00 0.00 H | |
| ATOM 701 H2 SPC 145 23.597 18.637 19.278 1.00 0.00 H | |
| ATOM 702 O SPC 146 1.734 4.147 17.856 1.00 0.00 O | |
| ATOM 703 H1 SPC 146 2.106 3.808 16.991 1.00 0.00 H | |
| ATOM 704 H2 SPC 146 0.771 3.888 17.928 1.00 0.00 H | |
| ATOM 705 O SPC 147 24.668 8.740 16.368 1.00 0.00 O | |
| ATOM 706 H1 SPC 147 25.324 8.515 15.648 1.00 0.00 H | |
| ATOM 707 H2 SPC 147 23.958 8.037 16.404 1.00 0.00 H | |
| ATOM 708 O SPC 148 3.441 9.053 3.444 1.00 0.00 O | |
| ATOM 709 H1 SPC 148 3.253 8.526 2.616 1.00 0.00 H | |
| ATOM 710 H2 SPC 148 2.591 9.454 3.785 1.00 0.00 H | |
| ATOM 711 O SPC 149 25.807 10.518 6.606 1.00 0.00 O | |
| ATOM 712 H1 SPC 149 26.168 10.094 7.436 1.00 0.00 H | |
| ATOM 713 H2 SPC 149 25.034 11.107 6.841 1.00 0.00 H | |
| ATOM 714 O SPC 150 25.024 4.455 15.245 1.00 0.00 O | |
| ATOM 715 H1 SPC 150 25.904 4.839 14.964 1.00 0.00 H | |
| ATOM 716 H2 SPC 150 24.564 5.093 15.863 1.00 0.00 H | |
| ATOM 717 O SPC 151 26.273 16.077 2.148 1.00 0.00 O | |
| ATOM 718 H1 SPC 151 25.791 15.894 1.291 1.00 0.00 H | |
| ATOM 719 H2 SPC 151 27.197 15.696 2.098 1.00 0.00 H | |
| ATOM 720 O SPC 152 3.137 16.467 4.329 1.00 0.00 O | |
| ATOM 721 H1 SPC 152 3.688 15.693 4.017 1.00 0.00 H | |
| ATOM 722 H2 SPC 152 2.169 16.274 4.167 1.00 0.00 H | |
| ATOM 723 O SPC 153 24.168 3.773 12.681 1.00 0.00 O | |
| ATOM 724 H1 SPC 153 23.305 4.108 12.302 1.00 0.00 H | |
| ATOM 725 H2 SPC 153 24.345 4.225 13.555 1.00 0.00 H | |
| ATOM 726 O SPC 154 2.208 16.036 14.973 1.00 0.00 O | |
| ATOM 727 H1 SPC 154 2.785 16.650 15.511 1.00 0.00 H | |
| ATOM 728 H2 SPC 154 1.442 16.551 14.588 1.00 0.00 H | |
| ATOM 729 O SPC 155 26.523 16.016 13.873 1.00 0.00 O | |
| ATOM 730 H1 SPC 155 25.627 15.938 13.438 1.00 0.00 H | |
| ATOM 731 H2 SPC 155 26.485 15.618 14.790 1.00 0.00 H | |
| ATOM 732 O SPC 156 24.982 11.785 14.019 1.00 0.00 O | |
| ATOM 733 H1 SPC 156 25.590 11.349 14.684 1.00 0.00 H | |
| ATOM 734 H2 SPC 156 24.517 12.558 14.450 1.00 0.00 H | |
| ATOM 735 O SPC 157 0.520 10.625 20.461 1.00 0.00 O | |
| ATOM 736 H1 SPC 157 0.842 10.641 21.408 1.00 0.00 H | |
| ATOM 737 H2 SPC 157 0.889 11.414 19.971 1.00 0.00 H | |
| ATOM 738 O SPC 158 25.243 5.398 21.099 1.00 0.00 O | |
| ATOM 739 H1 SPC 158 26.163 5.688 21.362 1.00 0.00 H | |
| ATOM 740 H2 SPC 158 25.119 5.533 20.116 1.00 0.00 H | |
| ATOM 741 O SPC 159 26.372 12.684 20.695 1.00 0.00 O | |
| ATOM 742 H1 SPC 159 26.893 13.385 20.207 1.00 0.00 H | |
| ATOM 743 H2 SPC 159 25.527 12.491 20.197 1.00 0.00 H | |
| ATOM 744 O SPC 160 22.918 13.641 1.247 1.00 0.00 O | |
| ATOM 745 H1 SPC 160 23.403 12.820 0.945 1.00 0.00 H | |
| ATOM 746 H2 SPC 160 22.713 13.567 2.223 1.00 0.00 H | |
| ATOM 747 O SPC 161 23.405 17.732 1.038 1.00 0.00 O | |
| ATOM 748 H1 SPC 161 23.388 17.787 2.036 1.00 0.00 H | |
| ATOM 749 H2 SPC 161 23.597 18.637 0.658 1.00 0.00 H | |
| ATOM 750 O SPC 162 26.273 16.077 20.768 1.00 0.00 O | |
| ATOM 751 H1 SPC 162 25.791 15.894 19.911 1.00 0.00 H | |
| ATOM 752 H2 SPC 162 27.197 15.696 20.719 1.00 0.00 H | |
| ENDMDL | |