EXPDTA T0348TS208_1-scwrl MODEL 1 REMARK 44 REMARK 44 model 1 is called T0348TS208_1-scwrl ATOM 1 N MET A 1 -3.912 -2.263 8.703 1.00 0.00 ATOM 2 CA MET A 1 -3.578 -3.354 7.753 1.00 0.00 ATOM 3 CB MET A 1 -4.529 -3.331 6.554 1.00 0.00 ATOM 4 CG MET A 1 -4.316 -4.470 5.571 1.00 0.00 ATOM 5 SD MET A 1 -4.641 -6.087 6.299 1.00 0.00 ATOM 6 CE MET A 1 -6.429 -6.059 6.403 1.00 0.00 ATOM 7 O MET A 1 -1.872 -2.610 6.172 1.00 0.00 ATOM 8 C MET A 1 -2.123 -3.183 7.237 1.00 0.00 ATOM 9 N ASP A 2 -1.172 -3.717 8.018 1.00 0.00 ATOM 10 CA ASP A 2 0.275 -3.741 7.656 1.00 0.00 ATOM 11 CB ASP A 2 1.143 -3.711 8.916 1.00 0.00 ATOM 12 CG ASP A 2 0.978 -2.428 9.707 1.00 0.00 ATOM 13 OD1 ASP A 2 1.203 -1.343 9.132 1.00 0.00 ATOM 14 OD2 ASP A 2 0.623 -2.509 10.901 1.00 0.00 ATOM 15 O ASP A 2 1.544 -4.891 5.960 1.00 0.00 ATOM 16 C ASP A 2 0.696 -5.012 6.846 1.00 0.00 ATOM 17 N ALA A 3 0.127 -6.207 7.132 1.00 0.00 ATOM 18 CA ALA A 3 0.485 -7.486 6.460 1.00 0.00 ATOM 19 CB ALA A 3 -0.392 -8.618 6.973 1.00 0.00 ATOM 20 O ALA A 3 1.308 -7.946 4.259 1.00 0.00 ATOM 21 C ALA A 3 0.344 -7.542 4.910 1.00 0.00 ATOM 22 N LYS A 4 -0.794 -7.128 4.313 1.00 0.00 ATOM 23 CA LYS A 4 -0.932 -7.040 2.824 1.00 0.00 ATOM 24 CB LYS A 4 -2.399 -6.850 2.432 1.00 0.00 ATOM 25 CG LYS A 4 -3.276 -8.061 2.704 1.00 0.00 ATOM 26 CD LYS A 4 -4.722 -7.793 2.322 1.00 0.00 ATOM 27 CE LYS A 4 -5.593 -9.015 2.562 1.00 0.00 ATOM 28 NZ LYS A 4 -7.016 -8.762 2.205 1.00 0.00 ATOM 29 O LYS A 4 0.123 -5.996 0.920 1.00 0.00 ATOM 30 C LYS A 4 -0.161 -5.869 2.115 1.00 0.00 ATOM 31 N PHE A 5 0.262 -4.796 2.823 1.00 0.00 ATOM 32 CA PHE A 5 1.375 -3.905 2.369 1.00 0.00 ATOM 33 CB PHE A 5 1.555 -2.736 3.339 1.00 0.00 ATOM 34 CG PHE A 5 2.683 -1.814 2.974 1.00 0.00 ATOM 35 CD1 PHE A 5 2.524 -0.860 1.985 1.00 0.00 ATOM 36 CD2 PHE A 5 3.904 -1.900 3.621 1.00 0.00 ATOM 37 CE1 PHE A 5 3.562 -0.011 1.649 1.00 0.00 ATOM 38 CE2 PHE A 5 4.942 -1.052 3.286 1.00 0.00 ATOM 39 CZ PHE A 5 4.775 -0.110 2.304 1.00 0.00 ATOM 40 O PHE A 5 3.365 -4.679 1.228 1.00 0.00 ATOM 41 C PHE A 5 2.740 -4.677 2.289 1.00 0.00 ATOM 42 N LEU A 6 3.177 -5.357 3.370 1.00 0.00 ATOM 43 CA LEU A 6 4.386 -6.237 3.365 1.00 0.00 ATOM 44 CB LEU A 6 4.567 -6.906 4.729 1.00 0.00 ATOM 45 CG LEU A 6 4.952 -5.987 5.889 1.00 0.00 ATOM 46 CD1 LEU A 6 4.935 -6.748 7.206 1.00 0.00 ATOM 47 CD2 LEU A 6 6.349 -5.420 5.686 1.00 0.00 ATOM 48 O LEU A 6 5.475 -7.749 1.816 1.00 0.00 ATOM 49 C LEU A 6 4.402 -7.417 2.326 1.00 0.00 ATOM 50 N GLU A 7 3.245 -8.033 2.010 1.00 0.00 ATOM 51 CA GLU A 7 3.121 -9.097 0.972 1.00 0.00 ATOM 52 CB GLU A 7 1.813 -9.870 1.151 1.00 0.00 ATOM 53 CG GLU A 7 1.749 -10.694 2.427 1.00 0.00 ATOM 54 CD GLU A 7 0.419 -11.401 2.597 1.00 0.00 ATOM 55 OE1 GLU A 7 -0.425 -11.310 1.680 1.00 0.00 ATOM 56 OE2 GLU A 7 0.219 -12.047 3.647 1.00 0.00 ATOM 57 O GLU A 7 3.962 -8.953 -1.295 1.00 0.00 ATOM 58 C GLU A 7 3.125 -8.538 -0.488 1.00 0.00 ATOM 59 N ILE A 8 2.180 -7.636 -0.833 1.00 0.00 ATOM 60 CA ILE A 8 1.945 -7.172 -2.233 1.00 0.00 ATOM 61 CB ILE A 8 0.516 -6.627 -2.415 1.00 0.00 ATOM 62 CG1 ILE A 8 -0.514 -7.689 -2.025 1.00 0.00 ATOM 63 CG2 ILE A 8 0.277 -6.232 -3.864 1.00 0.00 ATOM 64 CD1 ILE A 8 -0.474 -8.926 -2.895 1.00 0.00 ATOM 65 O ILE A 8 3.750 -6.219 -3.524 1.00 0.00 ATOM 66 C ILE A 8 2.946 -6.031 -2.607 1.00 0.00 ATOM 67 N LEU A 9 2.903 -4.873 -1.913 1.00 0.00 ATOM 68 CA LEU A 9 3.820 -3.725 -2.169 1.00 0.00 ATOM 69 CB LEU A 9 3.475 -2.549 -1.253 1.00 0.00 ATOM 70 CG LEU A 9 2.175 -1.806 -1.563 1.00 0.00 ATOM 71 CD1 LEU A 9 1.849 -0.809 -0.462 1.00 0.00 ATOM 72 CD2 LEU A 9 2.290 -1.045 -2.875 1.00 0.00 ATOM 73 O LEU A 9 6.104 -3.946 -2.880 1.00 0.00 ATOM 74 C LEU A 9 5.327 -4.048 -1.929 1.00 0.00 ATOM 75 N VAL A 10 5.741 -4.472 -0.717 1.00 0.00 ATOM 76 CA VAL A 10 7.176 -4.746 -0.397 1.00 0.00 ATOM 77 CB VAL A 10 7.402 -4.870 1.121 1.00 0.00 ATOM 78 CG1 VAL A 10 8.860 -5.185 1.419 1.00 0.00 ATOM 79 CG2 VAL A 10 7.038 -3.570 1.822 1.00 0.00 ATOM 80 O VAL A 10 7.174 -7.167 -0.664 1.00 0.00 ATOM 81 C VAL A 10 7.610 -6.086 -1.075 1.00 0.00 ATOM 82 N CYS A 11 8.473 -5.989 -2.103 1.00 0.00 ATOM 83 CA CYS A 11 9.007 -7.169 -2.826 1.00 0.00 ATOM 84 CB CYS A 11 8.553 -8.463 -2.148 1.00 0.00 ATOM 85 SG CYS A 11 9.190 -8.691 -0.471 1.00 0.00 ATOM 86 O CYS A 11 9.149 -6.553 -5.152 1.00 0.00 ATOM 87 C CYS A 11 8.491 -7.170 -4.305 1.00 0.00 ATOM 88 N PRO A 12 7.354 -7.831 -4.686 1.00 0.00 ATOM 89 CA PRO A 12 6.964 -8.010 -6.114 1.00 0.00 ATOM 90 CB PRO A 12 5.829 -9.035 -6.062 1.00 0.00 ATOM 91 CG PRO A 12 6.074 -9.799 -4.804 1.00 0.00 ATOM 92 CD PRO A 12 6.609 -8.807 -3.811 1.00 0.00 ATOM 93 O PRO A 12 6.950 -6.490 -7.987 1.00 0.00 ATOM 94 C PRO A 12 6.462 -6.745 -6.882 1.00 0.00 ATOM 95 N LEU A 13 5.513 -5.969 -6.322 1.00 0.00 ATOM 96 CA LEU A 13 4.956 -4.751 -6.981 1.00 0.00 ATOM 97 CB LEU A 13 3.690 -4.284 -6.261 1.00 0.00 ATOM 98 CG LEU A 13 3.023 -3.022 -6.812 1.00 0.00 ATOM 99 CD1 LEU A 13 2.558 -3.241 -8.244 1.00 0.00 ATOM 100 CD2 LEU A 13 1.812 -2.643 -5.972 1.00 0.00 ATOM 101 O LEU A 13 6.312 -3.076 -8.071 1.00 0.00 ATOM 102 C LEU A 13 5.948 -3.544 -6.988 1.00 0.00 ATOM 103 N CYS A 14 6.384 -3.060 -5.809 1.00 0.00 ATOM 104 CA CYS A 14 7.344 -1.929 -5.697 1.00 0.00 ATOM 105 CB CYS A 14 7.446 -1.455 -4.246 1.00 0.00 ATOM 106 SG CYS A 14 5.967 -0.620 -3.627 1.00 0.00 ATOM 107 O CYS A 14 9.433 -1.310 -6.718 1.00 0.00 ATOM 108 C CYS A 14 8.812 -2.202 -6.135 1.00 0.00 ATOM 109 N LYS A 15 9.372 -3.394 -5.831 1.00 0.00 ATOM 110 CA LYS A 15 10.814 -3.725 -6.035 1.00 0.00 ATOM 111 CB LYS A 15 11.268 -3.304 -7.434 1.00 0.00 ATOM 112 CG LYS A 15 10.600 -4.075 -8.561 1.00 0.00 ATOM 113 CD LYS A 15 11.072 -3.585 -9.921 1.00 0.00 ATOM 114 CE LYS A 15 10.401 -4.352 -11.048 1.00 0.00 ATOM 115 NZ LYS A 15 10.858 -3.886 -12.386 1.00 0.00 ATOM 116 O LYS A 15 12.234 -1.902 -5.240 1.00 0.00 ATOM 117 C LYS A 15 11.683 -2.976 -4.979 1.00 0.00 ATOM 118 N GLY A 16 11.733 -3.549 -3.767 1.00 0.00 ATOM 119 CA GLY A 16 12.250 -2.856 -2.573 1.00 0.00 ATOM 120 O GLY A 16 11.110 -4.079 -0.889 1.00 0.00 ATOM 121 C GLY A 16 12.218 -3.838 -1.377 1.00 0.00 ATOM 122 N PRO A 17 13.347 -4.422 -0.873 1.00 0.00 ATOM 123 CA PRO A 17 13.332 -5.398 0.259 1.00 0.00 ATOM 124 CB PRO A 17 14.811 -5.699 0.508 1.00 0.00 ATOM 125 CG PRO A 17 15.490 -5.311 -0.763 1.00 0.00 ATOM 126 CD PRO A 17 14.712 -4.149 -1.313 1.00 0.00 ATOM 127 O PRO A 17 12.392 -3.762 1.797 1.00 0.00 ATOM 128 C PRO A 17 12.688 -4.942 1.605 1.00 0.00 ATOM 129 N LEU A 18 12.526 -5.882 2.557 1.00 0.00 ATOM 130 CA LEU A 18 12.083 -5.571 3.956 1.00 0.00 ATOM 131 CB LEU A 18 12.119 -6.832 4.822 1.00 0.00 ATOM 132 CG LEU A 18 11.096 -7.917 4.482 1.00 0.00 ATOM 133 CD1 LEU A 18 11.335 -9.163 5.321 1.00 0.00 ATOM 134 CD2 LEU A 18 9.682 -7.427 4.753 1.00 0.00 ATOM 135 O LEU A 18 12.345 -3.764 5.542 1.00 0.00 ATOM 136 C LEU A 18 12.924 -4.509 4.749 1.00 0.00 ATOM 137 N VAL A 19 14.251 -4.414 4.522 1.00 0.00 ATOM 138 CA VAL A 19 15.102 -3.290 5.030 1.00 0.00 ATOM 139 CB VAL A 19 16.594 -3.536 4.739 1.00 0.00 ATOM 140 CG1 VAL A 19 17.415 -2.305 5.092 1.00 0.00 ATOM 141 CG2 VAL A 19 17.110 -4.709 5.557 1.00 0.00 ATOM 142 O VAL A 19 14.653 -0.911 5.107 1.00 0.00 ATOM 143 C VAL A 19 14.740 -1.904 4.380 1.00 0.00 ATOM 144 N PHE A 20 14.561 -1.828 3.044 1.00 0.00 ATOM 145 CA PHE A 20 14.262 -0.559 2.326 1.00 0.00 ATOM 146 CB PHE A 20 14.612 -0.688 0.842 1.00 0.00 ATOM 147 CG PHE A 20 16.085 -0.808 0.575 1.00 0.00 ATOM 148 CD1 PHE A 20 16.677 -2.050 0.427 1.00 0.00 ATOM 149 CD2 PHE A 20 16.880 0.321 0.473 1.00 0.00 ATOM 150 CE1 PHE A 20 18.033 -2.161 0.181 1.00 0.00 ATOM 151 CE2 PHE A 20 18.235 0.210 0.227 1.00 0.00 ATOM 152 CZ PHE A 20 18.812 -1.024 0.082 1.00 0.00 ATOM 153 O PHE A 20 12.406 0.663 3.258 1.00 0.00 ATOM 154 C PHE A 20 12.751 -0.192 2.436 1.00 0.00 ATOM 155 N ASP A 21 11.863 -0.820 1.637 1.00 0.00 ATOM 156 CA ASP A 21 10.403 -0.555 1.678 1.00 0.00 ATOM 157 CB ASP A 21 9.739 -1.011 0.377 1.00 0.00 ATOM 158 CG ASP A 21 8.297 -0.554 0.268 1.00 0.00 ATOM 159 OD1 ASP A 21 7.802 0.081 1.222 1.00 0.00 ATOM 160 OD2 ASP A 21 7.664 -0.832 -0.772 1.00 0.00 ATOM 161 O ASP A 21 10.022 -2.484 3.146 1.00 0.00 ATOM 162 C ASP A 21 9.731 -1.318 2.862 1.00 0.00 ATOM 163 N LYS A 22 8.848 -0.601 3.567 1.00 0.00 ATOM 164 CA LYS A 22 8.121 -1.106 4.764 1.00 0.00 ATOM 165 CB LYS A 22 8.824 -0.658 6.047 1.00 0.00 ATOM 166 CG LYS A 22 10.245 -1.178 6.189 1.00 0.00 ATOM 167 CD LYS A 22 10.884 -0.691 7.480 1.00 0.00 ATOM 168 CE LYS A 22 12.286 -1.255 7.649 1.00 0.00 ATOM 169 NZ LYS A 22 12.868 -0.909 8.975 1.00 0.00 ATOM 170 O LYS A 22 6.352 0.436 4.051 1.00 0.00 ATOM 171 C LYS A 22 6.667 -0.537 4.747 1.00 0.00 ATOM 172 N SER A 23 5.784 -1.114 5.586 1.00 0.00 ATOM 173 CA SER A 23 4.415 -0.568 5.826 1.00 0.00 ATOM 174 CB SER A 23 3.713 -1.350 6.938 1.00 0.00 ATOM 175 OG SER A 23 3.477 -2.692 6.547 1.00 0.00 ATOM 176 O SER A 23 3.386 1.619 5.792 1.00 0.00 ATOM 177 C SER A 23 4.294 0.932 6.263 1.00 0.00 ATOM 178 N LYS A 24 5.212 1.440 7.109 1.00 0.00 ATOM 179 CA LYS A 24 5.332 2.900 7.408 1.00 0.00 ATOM 180 CB LYS A 24 5.876 3.114 8.822 1.00 0.00 ATOM 181 CG LYS A 24 4.949 2.629 9.924 1.00 0.00 ATOM 182 CD LYS A 24 5.543 2.888 11.299 1.00 0.00 ATOM 183 CE LYS A 24 4.597 2.443 12.402 1.00 0.00 ATOM 184 NZ LYS A 24 5.157 2.710 13.756 1.00 0.00 ATOM 185 O LYS A 24 6.125 4.947 6.423 1.00 0.00 ATOM 186 C LYS A 24 6.279 3.723 6.467 1.00 0.00 ATOM 187 N ASP A 25 7.238 3.113 5.735 1.00 0.00 ATOM 188 CA ASP A 25 8.148 3.840 4.801 1.00 0.00 ATOM 189 CB ASP A 25 9.362 2.976 4.455 1.00 0.00 ATOM 190 CG ASP A 25 10.325 2.832 5.617 1.00 0.00 ATOM 191 OD1 ASP A 25 10.179 3.581 6.606 1.00 0.00 ATOM 192 OD2 ASP A 25 11.226 1.971 5.539 1.00 0.00 ATOM 193 O ASP A 25 6.486 3.590 3.008 1.00 0.00 ATOM 194 C ASP A 25 7.451 4.222 3.454 1.00 0.00 ATOM 195 N GLU A 26 7.967 5.294 2.823 1.00 0.00 ATOM 196 CA GLU A 26 7.311 5.954 1.662 1.00 0.00 ATOM 197 CB GLU A 26 7.933 7.328 1.405 1.00 0.00 ATOM 198 CG GLU A 26 7.641 8.354 2.488 1.00 0.00 ATOM 199 CD GLU A 26 8.260 9.706 2.192 1.00 0.00 ATOM 200 OE1 GLU A 26 8.996 9.815 1.190 1.00 0.00 ATOM 201 OE2 GLU A 26 8.009 10.656 2.964 1.00 0.00 ATOM 202 O GLU A 26 8.488 4.622 -0.010 1.00 0.00 ATOM 203 C GLU A 26 7.428 5.159 0.329 1.00 0.00 ATOM 204 N LEU A 27 6.339 5.184 -0.463 1.00 0.00 ATOM 205 CA LEU A 27 6.319 4.634 -1.853 1.00 0.00 ATOM 206 CB LEU A 27 4.897 4.232 -2.250 1.00 0.00 ATOM 207 CG LEU A 27 4.224 3.170 -1.378 1.00 0.00 ATOM 208 CD1 LEU A 27 2.802 2.909 -1.850 1.00 0.00 ATOM 209 CD2 LEU A 27 4.993 1.859 -1.439 1.00 0.00 ATOM 210 O LEU A 27 6.149 5.963 -3.911 1.00 0.00 ATOM 211 C LEU A 27 6.828 5.671 -2.920 1.00 0.00 ATOM 212 N ILE A 28 8.033 6.235 -2.705 1.00 0.00 ATOM 213 CA ILE A 28 8.601 7.345 -3.527 1.00 0.00 ATOM 214 CB ILE A 28 8.434 8.707 -2.828 1.00 0.00 ATOM 215 CG1 ILE A 28 6.954 9.000 -2.577 1.00 0.00 ATOM 216 CG2 ILE A 28 9.007 9.822 -3.691 1.00 0.00 ATOM 217 CD1 ILE A 28 6.709 10.243 -1.749 1.00 0.00 ATOM 218 O ILE A 28 10.507 6.555 -4.780 1.00 0.00 ATOM 219 C ILE A 28 10.114 6.994 -3.698 1.00 0.00 ATOM 220 N CYS A 29 10.942 7.177 -2.646 1.00 0.00 ATOM 221 CA CYS A 29 12.375 6.770 -2.647 1.00 0.00 ATOM 222 CB CYS A 29 13.176 7.627 -1.665 1.00 0.00 ATOM 223 SG CYS A 29 13.251 9.382 -2.094 1.00 0.00 ATOM 224 O CYS A 29 13.492 4.643 -2.857 1.00 0.00 ATOM 225 C CYS A 29 12.638 5.286 -2.240 1.00 0.00 ATOM 226 N LYS A 30 11.945 4.751 -1.212 1.00 0.00 ATOM 227 CA LYS A 30 12.081 3.329 -0.783 1.00 0.00 ATOM 228 CB LYS A 30 11.550 3.146 0.640 1.00 0.00 ATOM 229 CG LYS A 30 12.375 3.848 1.706 1.00 0.00 ATOM 230 CD LYS A 30 13.723 3.172 1.896 1.00 0.00 ATOM 231 CE LYS A 30 14.554 3.886 2.949 1.00 0.00 ATOM 232 NZ LYS A 30 15.894 3.257 3.119 1.00 0.00 ATOM 233 O LYS A 30 11.901 1.343 -2.145 1.00 0.00 ATOM 234 C LYS A 30 11.301 2.321 -1.687 1.00 0.00 ATOM 235 N GLY A 31 9.993 2.545 -1.932 1.00 0.00 ATOM 236 CA GLY A 31 9.174 1.671 -2.806 1.00 0.00 ATOM 237 O GLY A 31 9.852 1.034 -5.014 1.00 0.00 ATOM 238 C GLY A 31 9.340 1.913 -4.320 1.00 0.00 ATOM 239 N ASP A 32 8.886 3.082 -4.814 1.00 0.00 ATOM 240 CA ASP A 32 9.012 3.506 -6.243 1.00 0.00 ATOM 241 CB ASP A 32 10.282 2.922 -6.865 1.00 0.00 ATOM 242 CG ASP A 32 10.517 3.414 -8.280 1.00 0.00 ATOM 243 OD1 ASP A 32 9.661 4.161 -8.799 1.00 0.00 ATOM 244 OD2 ASP A 32 11.557 3.052 -8.870 1.00 0.00 ATOM 245 O ASP A 32 7.045 3.891 -7.592 1.00 0.00 ATOM 246 C ASP A 32 7.815 3.043 -7.131 1.00 0.00 ATOM 247 N ARG A 33 7.687 1.731 -7.428 1.00 0.00 ATOM 248 CA ARG A 33 6.850 1.242 -8.559 1.00 0.00 ATOM 249 CB ARG A 33 7.447 -0.035 -9.155 1.00 0.00 ATOM 250 CG ARG A 33 6.649 -0.611 -10.313 1.00 0.00 ATOM 251 CD ARG A 33 7.353 -1.812 -10.924 1.00 0.00 ATOM 252 NE ARG A 33 6.546 -2.448 -11.963 1.00 0.00 ATOM 253 CZ ARG A 33 6.965 -3.457 -12.721 1.00 0.00 ATOM 254 NH1 ARG A 33 6.161 -3.972 -13.641 1.00 0.00 ATOM 255 NH2 ARG A 33 8.185 -3.948 -12.556 1.00 0.00 ATOM 256 O ARG A 33 5.097 -0.181 -7.630 1.00 0.00 ATOM 257 C ARG A 33 5.386 0.911 -8.128 1.00 0.00 ATOM 258 N LEU A 34 4.459 1.847 -8.414 1.00 0.00 ATOM 259 CA LEU A 34 2.985 1.605 -8.426 1.00 0.00 ATOM 260 CB LEU A 34 2.650 0.380 -9.279 1.00 0.00 ATOM 261 CG LEU A 34 3.053 0.450 -10.754 1.00 0.00 ATOM 262 CD1 LEU A 34 2.738 -0.860 -11.460 1.00 0.00 ATOM 263 CD2 LEU A 34 2.302 1.566 -11.464 1.00 0.00 ATOM 264 O LEU A 34 2.473 0.251 -6.462 1.00 0.00 ATOM 265 C LEU A 34 2.346 1.342 -7.024 1.00 0.00 ATOM 266 N ALA A 35 1.578 2.327 -6.522 1.00 0.00 ATOM 267 CA ALA A 35 0.622 2.121 -5.398 1.00 0.00 ATOM 268 CB ALA A 35 0.269 3.452 -4.752 1.00 0.00 ATOM 269 O ALA A 35 -1.225 0.602 -5.052 1.00 0.00 ATOM 270 C ALA A 35 -0.740 1.459 -5.794 1.00 0.00 ATOM 271 N PHE A 36 -1.347 1.852 -6.939 1.00 0.00 ATOM 272 CA PHE A 36 -2.726 1.454 -7.350 1.00 0.00 ATOM 273 CB PHE A 36 -3.001 1.885 -8.792 1.00 0.00 ATOM 274 CG PHE A 36 -4.359 1.488 -9.295 1.00 0.00 ATOM 275 CD1 PHE A 36 -5.476 2.244 -8.984 1.00 0.00 ATOM 276 CD2 PHE A 36 -4.521 0.359 -10.079 1.00 0.00 ATOM 277 CE1 PHE A 36 -6.726 1.880 -9.447 1.00 0.00 ATOM 278 CE2 PHE A 36 -5.771 -0.006 -10.541 1.00 0.00 ATOM 279 CZ PHE A 36 -6.871 0.749 -10.229 1.00 0.00 ATOM 280 O PHE A 36 -4.241 -0.321 -6.880 1.00 0.00 ATOM 281 C PHE A 36 -3.116 -0.074 -7.329 1.00 0.00 ATOM 282 N PRO A 37 -2.310 -1.107 -7.739 1.00 0.00 ATOM 283 CA PRO A 37 -2.712 -2.547 -7.634 1.00 0.00 ATOM 284 CB PRO A 37 -1.600 -3.296 -8.371 1.00 0.00 ATOM 285 CG PRO A 37 -0.378 -2.471 -8.142 1.00 0.00 ATOM 286 CD PRO A 37 -0.829 -1.038 -8.185 1.00 0.00 ATOM 287 O PRO A 37 -2.909 -4.460 -6.145 1.00 0.00 ATOM 288 C PRO A 37 -2.878 -3.229 -6.229 1.00 0.00 ATOM 289 N ILE A 38 -3.109 -2.458 -5.149 1.00 0.00 ATOM 290 CA ILE A 38 -3.847 -2.942 -3.939 1.00 0.00 ATOM 291 CB ILE A 38 -3.767 -1.925 -2.785 1.00 0.00 ATOM 292 CG1 ILE A 38 -4.113 -2.599 -1.456 1.00 0.00 ATOM 293 CG2 ILE A 38 -4.743 -0.782 -3.014 1.00 0.00 ATOM 294 CD1 ILE A 38 -3.123 -3.663 -1.035 1.00 0.00 ATOM 295 O ILE A 38 -5.960 -3.994 -3.442 1.00 0.00 ATOM 296 C ILE A 38 -5.385 -3.200 -4.189 1.00 0.00 ATOM 297 N LYS A 39 -6.043 -2.643 -5.236 1.00 0.00 ATOM 298 CA LYS A 39 -7.324 -3.204 -5.777 1.00 0.00 ATOM 299 CB LYS A 39 -7.798 -2.390 -6.983 1.00 0.00 ATOM 300 CG LYS A 39 -9.119 -2.862 -7.569 1.00 0.00 ATOM 301 CD LYS A 39 -9.568 -1.964 -8.711 1.00 0.00 ATOM 302 CE LYS A 39 -10.874 -2.453 -9.316 1.00 0.00 ATOM 303 NZ LYS A 39 -11.319 -1.591 -10.446 1.00 0.00 ATOM 304 O LYS A 39 -8.210 -5.439 -6.066 1.00 0.00 ATOM 305 C LYS A 39 -7.249 -4.694 -6.266 1.00 0.00 ATOM 306 N ASP A 40 -6.124 -5.133 -6.868 1.00 0.00 ATOM 307 CA ASP A 40 -5.832 -6.578 -7.115 1.00 0.00 ATOM 308 CB ASP A 40 -4.609 -6.730 -8.021 1.00 0.00 ATOM 309 CG ASP A 40 -4.900 -6.353 -9.461 1.00 0.00 ATOM 310 OD1 ASP A 40 -6.091 -6.213 -9.809 1.00 0.00 ATOM 311 OD2 ASP A 40 -3.937 -6.198 -10.241 1.00 0.00 ATOM 312 O ASP A 40 -5.969 -8.564 -5.742 1.00 0.00 ATOM 313 C ASP A 40 -5.527 -7.414 -5.821 1.00 0.00 ATOM 314 N GLY A 41 -4.801 -6.859 -4.823 1.00 0.00 ATOM 315 CA GLY A 41 -4.557 -7.526 -3.517 1.00 0.00 ATOM 316 O GLY A 41 -6.222 -8.889 -2.434 1.00 0.00 ATOM 317 C GLY A 41 -5.806 -7.744 -2.631 1.00 0.00 ATOM 318 N ILE A 42 -6.405 -6.649 -2.129 1.00 0.00 ATOM 319 CA ILE A 42 -7.770 -6.675 -1.525 1.00 0.00 ATOM 320 CB ILE A 42 -7.914 -5.622 -0.410 1.00 0.00 ATOM 321 CG1 ILE A 42 -6.920 -5.902 0.719 1.00 0.00 ATOM 322 CG2 ILE A 42 -9.320 -5.649 0.169 1.00 0.00 ATOM 323 CD1 ILE A 42 -6.836 -4.795 1.746 1.00 0.00 ATOM 324 O ILE A 42 -8.779 -5.259 -3.195 1.00 0.00 ATOM 325 C ILE A 42 -8.825 -6.370 -2.654 1.00 0.00 ATOM 326 N PRO A 43 -9.778 -7.268 -3.056 1.00 0.00 ATOM 327 CA PRO A 43 -10.756 -6.976 -4.144 1.00 0.00 ATOM 328 CB PRO A 43 -11.276 -8.355 -4.554 1.00 0.00 ATOM 329 CG PRO A 43 -11.151 -9.184 -3.320 1.00 0.00 ATOM 330 CD PRO A 43 -9.933 -8.677 -2.599 1.00 0.00 ATOM 331 O PRO A 43 -12.916 -6.521 -3.086 1.00 0.00 ATOM 332 C PRO A 43 -11.920 -6.060 -3.650 1.00 0.00 ATOM 333 N MET A 44 -11.718 -4.740 -3.815 1.00 0.00 ATOM 334 CA MET A 44 -12.456 -3.702 -3.046 1.00 0.00 ATOM 335 CB MET A 44 -11.735 -3.396 -1.732 1.00 0.00 ATOM 336 CG MET A 44 -10.354 -2.787 -1.908 1.00 0.00 ATOM 337 SD MET A 44 -9.486 -2.564 -0.343 1.00 0.00 ATOM 338 CE MET A 44 -8.048 -1.643 -0.882 1.00 0.00 ATOM 339 O MET A 44 -11.661 -2.032 -4.650 1.00 0.00 ATOM 340 C MET A 44 -12.558 -2.384 -3.873 1.00 0.00 ATOM 341 N MET A 45 -13.640 -1.615 -3.632 1.00 0.00 ATOM 342 CA MET A 45 -13.771 -0.224 -4.143 1.00 0.00 ATOM 343 CB MET A 45 -15.230 0.233 -4.084 1.00 0.00 ATOM 344 CG MET A 45 -16.151 -0.505 -5.042 1.00 0.00 ATOM 345 SD MET A 45 -15.883 -0.039 -6.763 1.00 0.00 ATOM 346 CE MET A 45 -16.861 1.458 -6.865 1.00 0.00 ATOM 347 O MET A 45 -13.270 1.086 -2.144 1.00 0.00 ATOM 348 C MET A 45 -12.907 0.748 -3.277 1.00 0.00 ATOM 349 N LEU A 46 -11.756 1.165 -3.832 1.00 0.00 ATOM 350 CA LEU A 46 -10.758 1.995 -3.104 1.00 0.00 ATOM 351 CB LEU A 46 -9.349 1.432 -3.299 1.00 0.00 ATOM 352 CG LEU A 46 -8.213 2.198 -2.617 1.00 0.00 ATOM 353 CD1 LEU A 46 -8.383 2.179 -1.106 1.00 0.00 ATOM 354 CD2 LEU A 46 -6.867 1.573 -2.951 1.00 0.00 ATOM 355 O LEU A 46 -10.250 3.750 -4.715 1.00 0.00 ATOM 356 C LEU A 46 -10.811 3.446 -3.657 1.00 0.00 ATOM 357 N GLU A 47 -11.543 4.313 -2.935 1.00 0.00 ATOM 358 CA GLU A 47 -11.848 5.709 -3.362 1.00 0.00 ATOM 359 CB GLU A 47 -13.195 5.766 -4.086 1.00 0.00 ATOM 360 CG GLU A 47 -14.383 5.384 -3.218 1.00 0.00 ATOM 361 CD GLU A 47 -15.684 5.351 -3.995 1.00 0.00 ATOM 362 OE1 GLU A 47 -15.660 5.643 -5.209 1.00 0.00 ATOM 363 OE2 GLU A 47 -16.729 5.033 -3.389 1.00 0.00 ATOM 364 O GLU A 47 -12.222 6.210 -1.000 1.00 0.00 ATOM 365 C GLU A 47 -11.910 6.644 -2.114 1.00 0.00 ATOM 366 N SER A 48 -11.629 7.952 -2.316 1.00 0.00 ATOM 367 CA SER A 48 -11.638 8.997 -1.242 1.00 0.00 ATOM 368 CB SER A 48 -12.823 8.784 -0.297 1.00 0.00 ATOM 369 OG SER A 48 -14.053 8.859 -0.997 1.00 0.00 ATOM 370 O SER A 48 -9.583 9.955 -0.413 1.00 0.00 ATOM 371 C SER A 48 -10.354 8.994 -0.363 1.00 0.00 ATOM 372 N GLU A 49 -10.087 7.910 0.391 1.00 0.00 ATOM 373 CA GLU A 49 -8.723 7.624 0.933 1.00 0.00 ATOM 374 CB GLU A 49 -8.775 6.465 1.931 1.00 0.00 ATOM 375 CG GLU A 49 -9.479 6.801 3.235 1.00 0.00 ATOM 376 CD GLU A 49 -9.575 5.610 4.169 1.00 0.00 ATOM 377 OE1 GLU A 49 -9.126 4.512 3.778 1.00 0.00 ATOM 378 OE2 GLU A 49 -10.099 5.775 5.290 1.00 0.00 ATOM 379 O GLU A 49 -6.445 7.317 0.198 1.00 0.00 ATOM 380 C GLU A 49 -7.633 7.220 -0.123 1.00 0.00 ATOM 381 N ALA A 50 -7.998 6.813 -1.363 1.00 0.00 ATOM 382 CA ALA A 50 -7.031 6.586 -2.466 1.00 0.00 ATOM 383 CB ALA A 50 -7.599 5.599 -3.474 1.00 0.00 ATOM 384 O ALA A 50 -7.295 8.226 -4.258 1.00 0.00 ATOM 385 C ALA A 50 -6.707 7.911 -3.218 1.00 0.00 ATOM 386 N ARG A 51 -5.778 8.696 -2.640 1.00 0.00 ATOM 387 CA ARG A 51 -5.402 10.045 -3.147 1.00 0.00 ATOM 388 CB ARG A 51 -6.145 11.135 -2.372 1.00 0.00 ATOM 389 CG ARG A 51 -7.648 11.145 -2.601 1.00 0.00 ATOM 390 CD ARG A 51 -8.325 12.229 -1.779 1.00 0.00 ATOM 391 NE ARG A 51 -9.771 12.250 -1.986 1.00 0.00 ATOM 392 CZ ARG A 51 -10.604 13.067 -1.350 1.00 0.00 ATOM 393 NH1 ARG A 51 -11.905 13.016 -1.603 1.00 0.00 ATOM 394 NH2 ARG A 51 -10.135 13.934 -0.463 1.00 0.00 ATOM 395 O ARG A 51 -3.122 10.090 -3.935 1.00 0.00 ATOM 396 C ARG A 51 -3.864 10.221 -2.957 1.00 0.00 ATOM 397 N GLU A 52 -3.387 10.498 -1.724 1.00 0.00 ATOM 398 CA GLU A 52 -1.942 10.693 -1.421 1.00 0.00 ATOM 399 CB GLU A 52 -1.745 11.900 -0.502 1.00 0.00 ATOM 400 CG GLU A 52 -0.290 12.220 -0.199 1.00 0.00 ATOM 401 CD GLU A 52 -0.130 13.487 0.616 1.00 0.00 ATOM 402 OE1 GLU A 52 -1.159 14.085 0.994 1.00 0.00 ATOM 403 OE2 GLU A 52 1.026 13.882 0.878 1.00 0.00 ATOM 404 O GLU A 52 -1.679 9.193 0.473 1.00 0.00 ATOM 405 C GLU A 52 -1.426 9.407 -0.718 1.00 0.00 ATOM 406 N LEU A 53 -0.744 8.536 -1.485 1.00 0.00 ATOM 407 CA LEU A 53 -0.407 7.157 -1.035 1.00 0.00 ATOM 408 CB LEU A 53 -0.987 6.122 -2.001 1.00 0.00 ATOM 409 CG LEU A 53 -2.511 6.097 -2.133 1.00 0.00 ATOM 410 CD1 LEU A 53 -2.940 5.123 -3.219 1.00 0.00 ATOM 411 CD2 LEU A 53 -3.157 5.665 -0.825 1.00 0.00 ATOM 412 O LEU A 53 1.776 6.759 -2.019 1.00 0.00 ATOM 413 C LEU A 53 1.137 6.998 -0.987 1.00 0.00 ATOM 414 N ALA A 54 1.731 7.136 0.219 1.00 0.00 ATOM 415 CA ALA A 54 3.191 6.952 0.421 1.00 0.00 ATOM 416 CB ALA A 54 3.903 8.296 0.401 1.00 0.00 ATOM 417 O ALA A 54 3.773 5.059 1.718 1.00 0.00 ATOM 418 C ALA A 54 3.510 6.264 1.792 1.00 0.00 ATOM 419 N PRO A 55 3.534 6.877 3.023 1.00 0.00 ATOM 420 CA PRO A 55 4.035 6.196 4.255 1.00 0.00 ATOM 421 CB PRO A 55 4.241 7.338 5.252 1.00 0.00 ATOM 422 CG PRO A 55 3.182 8.331 4.907 1.00 0.00 ATOM 423 CD PRO A 55 3.066 8.313 3.408 1.00 0.00 ATOM 424 O PRO A 55 2.898 4.070 4.235 1.00 0.00 ATOM 425 C PRO A 55 3.034 5.141 4.833 1.00 0.00 ATOM 426 N GLU A 56 2.322 5.423 5.944 1.00 0.00 ATOM 427 CA GLU A 56 1.167 4.600 6.403 1.00 0.00 ATOM 428 CB GLU A 56 1.096 4.581 7.931 1.00 0.00 ATOM 429 CG GLU A 56 2.299 3.937 8.601 1.00 0.00 ATOM 430 CD GLU A 56 2.198 3.946 10.113 1.00 0.00 ATOM 431 OE1 GLU A 56 2.124 5.047 10.698 1.00 0.00 ATOM 432 OE2 GLU A 56 2.193 2.851 10.714 1.00 0.00 ATOM 433 O GLU A 56 -0.984 5.754 6.586 1.00 0.00 ATOM 434 C GLU A 56 -0.171 5.187 5.852 1.00 0.00 ATOM 435 N GLU A 57 -0.373 5.033 4.531 1.00 0.00 ATOM 436 CA GLU A 57 -1.536 5.604 3.785 1.00 0.00 ATOM 437 CB GLU A 57 -1.069 6.690 2.814 1.00 0.00 ATOM 438 CG GLU A 57 -0.412 7.884 3.488 1.00 0.00 ATOM 439 CD GLU A 57 -1.403 8.737 4.256 1.00 0.00 ATOM 440 OE1 GLU A 57 -2.623 8.543 4.070 1.00 0.00 ATOM 441 OE2 GLU A 57 -0.959 9.599 5.043 1.00 0.00 ATOM 442 O GLU A 57 -3.499 4.417 3.057 1.00 0.00 ATOM 443 C GLU A 57 -2.274 4.507 2.961 1.00 0.00 ATOM 444 N GLU A 58 -1.557 3.628 2.224 1.00 0.00 ATOM 445 CA GLU A 58 -2.053 2.252 1.909 1.00 0.00 ATOM 446 CB GLU A 58 -1.017 1.484 1.086 1.00 0.00 ATOM 447 CG GLU A 58 -0.844 2.001 -0.333 1.00 0.00 ATOM 448 CD GLU A 58 -2.133 1.956 -1.130 1.00 0.00 ATOM 449 OE1 GLU A 58 -2.765 0.880 -1.177 1.00 0.00 ATOM 450 OE2 GLU A 58 -2.511 2.997 -1.707 1.00 0.00 ATOM 451 O GLU A 58 -3.269 0.503 3.055 1.00 0.00 ATOM 452 C GLU A 58 -2.370 1.340 3.151 1.00 0.00 ATOM 453 N VAL A 59 -1.710 1.532 4.317 1.00 0.00 ATOM 454 CA VAL A 59 -2.147 0.956 5.631 1.00 0.00 ATOM 455 CB VAL A 59 -1.169 1.325 6.762 1.00 0.00 ATOM 456 CG1 VAL A 59 -1.732 0.903 8.111 1.00 0.00 ATOM 457 CG2 VAL A 59 0.167 0.627 6.559 1.00 0.00 ATOM 458 O VAL A 59 -4.418 0.642 6.414 1.00 0.00 ATOM 459 C VAL A 59 -3.567 1.468 6.074 1.00 0.00 ATOM 460 N LYS A 60 -3.817 2.797 6.060 1.00 0.00 ATOM 461 CA LYS A 60 -5.167 3.396 6.304 1.00 0.00 ATOM 462 CB LYS A 60 -5.093 4.923 6.250 1.00 0.00 ATOM 463 CG LYS A 60 -6.416 5.619 6.529 1.00 0.00 ATOM 464 CD LYS A 60 -6.255 7.130 6.529 1.00 0.00 ATOM 465 CE LYS A 60 -7.587 7.827 6.759 1.00 0.00 ATOM 466 NZ LYS A 60 -7.449 9.309 6.738 1.00 0.00 ATOM 467 O LYS A 60 -7.346 2.550 5.686 1.00 0.00 ATOM 468 C LYS A 60 -6.265 2.976 5.273 1.00 0.00 ATOM 469 N LEU A 61 -5.983 3.074 3.956 1.00 0.00 ATOM 470 CA LEU A 61 -6.889 2.611 2.869 1.00 0.00 ATOM 471 CB LEU A 61 -6.221 2.786 1.504 1.00 0.00 ATOM 472 CG LEU A 61 -6.043 4.226 1.016 1.00 0.00 ATOM 473 CD1 LEU A 61 -5.202 4.264 -0.251 1.00 0.00 ATOM 474 CD2 LEU A 61 -7.391 4.861 0.711 1.00 0.00 ATOM 475 O LEU A 61 -8.510 0.839 2.877 1.00 0.00 ATOM 476 C LEU A 61 -7.312 1.111 2.949 1.00 0.00 ATOM 477 N GLU A 62 -6.369 0.163 3.134 1.00 0.00 ATOM 478 CA GLU A 62 -6.701 -1.261 3.436 1.00 0.00 ATOM 479 CB GLU A 62 -5.424 -2.093 3.567 1.00 0.00 ATOM 480 CG GLU A 62 -4.692 -2.317 2.253 1.00 0.00 ATOM 481 CD GLU A 62 -3.371 -3.038 2.438 1.00 0.00 ATOM 482 OE1 GLU A 62 -2.992 -3.296 3.600 1.00 0.00 ATOM 483 OE2 GLU A 62 -2.714 -3.344 1.421 1.00 0.00 ATOM 484 O GLU A 62 -8.388 -2.364 4.766 1.00 0.00 ATOM 485 C GLU A 62 -7.502 -1.507 4.758 1.00 0.00 ATOM 486 N HIS A 63 -7.207 -0.772 5.849 1.00 0.00 ATOM 487 CA HIS A 63 -7.955 -0.851 7.135 1.00 0.00 ATOM 488 CB HIS A 63 -7.294 0.034 8.194 1.00 0.00 ATOM 489 CG HIS A 63 -8.021 0.054 9.503 1.00 0.00 ATOM 490 CD2 HIS A 63 -8.867 1.007 10.207 1.00 0.00 ATOM 491 ND1 HIS A 63 -7.994 -1.004 10.386 1.00 0.00 ATOM 492 CE1 HIS A 63 -8.734 -0.693 11.465 1.00 0.00 ATOM 493 NE2 HIS A 63 -9.261 0.512 11.364 1.00 0.00 ATOM 494 O HIS A 63 -10.336 -1.142 7.460 1.00 0.00 ATOM 495 C HIS A 63 -9.448 -0.391 7.048 1.00 0.00 ATOM 496 N HIS A 64 -9.711 0.828 6.541 1.00 0.00 ATOM 497 CA HIS A 64 -11.084 1.398 6.437 1.00 0.00 ATOM 498 CB HIS A 64 -11.022 2.916 6.258 1.00 0.00 ATOM 499 CG HIS A 64 -12.363 3.561 6.093 1.00 0.00 ATOM 500 CD2 HIS A 64 -13.103 4.150 4.986 1.00 0.00 ATOM 501 ND1 HIS A 64 -13.246 3.719 7.139 1.00 0.00 ATOM 502 CE1 HIS A 64 -14.357 4.326 6.685 1.00 0.00 ATOM 503 NE2 HIS A 64 -14.278 4.587 5.395 1.00 0.00 ATOM 504 O HIS A 64 -12.969 0.268 5.445 1.00 0.00 ATOM 505 C HIS A 64 -11.888 0.824 5.230 1.00 0.00 ATOM 506 N HIS A 65 -11.365 0.919 3.988 1.00 0.00 ATOM 507 CA HIS A 65 -11.952 0.231 2.803 1.00 0.00 ATOM 508 CB HIS A 65 -11.666 1.024 1.527 1.00 0.00 ATOM 509 CG HIS A 65 -12.347 2.357 1.478 1.00 0.00 ATOM 510 CD2 HIS A 65 -11.923 3.744 1.597 1.00 0.00 ATOM 511 ND1 HIS A 65 -13.704 2.493 1.281 1.00 0.00 ATOM 512 CE1 HIS A 65 -14.018 3.800 1.286 1.00 0.00 ATOM 513 NE2 HIS A 65 -12.955 4.557 1.475 1.00 0.00 ATOM 514 O HIS A 65 -10.211 -1.347 2.149 1.00 0.00 ATOM 515 C HIS A 65 -11.304 -1.185 2.700 1.00 0.00 ATOM 516 N HIS A 66 -11.975 -2.198 3.279 1.00 0.00 ATOM 517 CA HIS A 66 -11.369 -3.532 3.544 1.00 0.00 ATOM 518 CB HIS A 66 -11.502 -3.896 5.024 1.00 0.00 ATOM 519 CG HIS A 66 -10.888 -2.894 5.951 1.00 0.00 ATOM 520 CD2 HIS A 66 -11.389 -1.837 6.818 1.00 0.00 ATOM 521 ND1 HIS A 66 -9.528 -2.805 6.156 1.00 0.00 ATOM 522 CE1 HIS A 66 -9.282 -1.817 7.035 1.00 0.00 ATOM 523 NE2 HIS A 66 -10.394 -1.232 7.436 1.00 0.00 ATOM 524 O HIS A 66 -13.300 -4.713 2.641 1.00 0.00 ATOM 525 C HIS A 66 -12.067 -4.647 2.709 1.00 0.00 ATOM 526 N HIS 67 -11.262 -5.579 2.162 1.00 0.00 ATOM 527 CA HIS 67 -11.763 -6.912 1.738 1.00 0.00 ENDMDL