EXPDTA T0348TS024_2-scwrl MODEL 1 REMARK 44 REMARK 44 model 1 is called T0348TS024_2-scwrl ATOM 1 N MET A 1 -4.184 7.173 13.010 1.00 0.00 ATOM 2 CA MET A 1 -5.182 6.192 12.564 1.00 0.00 ATOM 3 CB MET A 1 -5.493 5.197 13.684 1.00 0.00 ATOM 4 CG MET A 1 -4.334 4.279 14.038 1.00 0.00 ATOM 5 SD MET A 1 -4.721 3.162 15.399 1.00 0.00 ATOM 6 CE MET A 1 -5.894 2.062 14.610 1.00 0.00 ATOM 7 O MET A 1 -6.602 7.338 11.055 1.00 0.00 ATOM 8 C MET A 1 -6.427 6.886 12.185 1.00 0.00 ATOM 9 N ASP A 2 -7.334 6.971 13.176 1.00 0.00 ATOM 10 CA ASP A 2 -8.676 7.451 13.041 1.00 0.00 ATOM 11 CB ASP A 2 -8.706 8.727 12.197 1.00 0.00 ATOM 12 CG ASP A 2 -7.897 9.851 12.811 1.00 0.00 ATOM 13 OD1 ASP A 2 -8.024 10.076 14.033 1.00 0.00 ATOM 14 OD2 ASP A 2 -7.136 10.509 12.071 1.00 0.00 ATOM 15 O ASP A 2 -10.612 6.421 12.112 1.00 0.00 ATOM 16 C ASP A 2 -9.412 6.346 12.374 1.00 0.00 ATOM 17 N ALA A 3 -8.657 5.258 12.131 1.00 0.00 ATOM 18 CA ALA A 3 -8.924 4.118 11.321 1.00 0.00 ATOM 19 CB ALA A 3 -10.336 3.610 11.570 1.00 0.00 ATOM 20 O ALA A 3 -8.437 3.804 9.025 1.00 0.00 ATOM 21 C ALA A 3 -8.764 4.582 9.912 1.00 0.00 ATOM 22 N LYS A 4 -8.889 5.902 9.703 1.00 0.00 ATOM 23 CA LYS A 4 -8.872 6.517 8.432 1.00 0.00 ATOM 24 CB LYS A 4 -9.188 8.009 8.554 1.00 0.00 ATOM 25 CG LYS A 4 -9.179 8.756 7.231 1.00 0.00 ATOM 26 CD LYS A 4 -9.543 10.220 7.420 1.00 0.00 ATOM 27 CE LYS A 4 -9.518 10.970 6.099 1.00 0.00 ATOM 28 NZ LYS A 4 -9.840 12.414 6.274 1.00 0.00 ATOM 29 O LYS A 4 -7.444 5.870 6.700 1.00 0.00 ATOM 30 C LYS A 4 -7.546 6.368 7.813 1.00 0.00 ATOM 31 N PHE A 5 -6.489 6.801 8.512 1.00 0.00 ATOM 32 CA PHE A 5 -5.200 6.689 7.939 1.00 0.00 ATOM 33 CB PHE A 5 -4.188 7.520 8.730 1.00 0.00 ATOM 34 CG PHE A 5 -4.404 9.002 8.622 1.00 0.00 ATOM 35 CD1 PHE A 5 -5.186 9.530 7.609 1.00 0.00 ATOM 36 CD2 PHE A 5 -3.824 9.869 9.532 1.00 0.00 ATOM 37 CE1 PHE A 5 -5.385 10.894 7.510 1.00 0.00 ATOM 38 CE2 PHE A 5 -4.023 11.233 9.432 1.00 0.00 ATOM 39 CZ PHE A 5 -4.799 11.747 8.426 1.00 0.00 ATOM 40 O PHE A 5 -4.116 4.965 6.912 1.00 0.00 ATOM 41 C PHE A 5 -4.698 5.332 7.910 1.00 0.00 ATOM 42 N LEU A 6 -4.842 4.546 8.972 1.00 0.00 ATOM 43 CA LEU A 6 -4.280 3.248 8.799 1.00 0.00 ATOM 44 CB LEU A 6 -4.349 2.456 10.106 1.00 0.00 ATOM 45 CG LEU A 6 -3.658 1.091 10.109 1.00 0.00 ATOM 46 CD1 LEU A 6 -2.174 1.239 9.810 1.00 0.00 ATOM 47 CD2 LEU A 6 -3.805 0.416 11.464 1.00 0.00 ATOM 48 O LEU A 6 -4.558 1.783 6.959 1.00 0.00 ATOM 49 C LEU A 6 -5.082 2.574 7.740 1.00 0.00 ATOM 50 N GLU A 7 -6.385 2.888 7.668 1.00 0.00 ATOM 51 CA GLU A 7 -7.123 2.307 6.595 1.00 0.00 ATOM 52 CB GLU A 7 -8.601 2.691 6.691 1.00 0.00 ATOM 53 CG GLU A 7 -9.477 2.063 5.620 1.00 0.00 ATOM 54 CD GLU A 7 -10.941 2.419 5.781 1.00 0.00 ATOM 55 OE1 GLU A 7 -11.274 3.142 6.744 1.00 0.00 ATOM 56 OE2 GLU A 7 -11.756 1.975 4.946 1.00 0.00 ATOM 57 O GLU A 7 -6.456 2.075 4.345 1.00 0.00 ATOM 58 C GLU A 7 -6.557 2.814 5.318 1.00 0.00 ATOM 59 N ILE A 8 -6.186 4.100 5.271 1.00 0.00 ATOM 60 CA ILE A 8 -5.694 4.621 4.035 1.00 0.00 ATOM 61 CB ILE A 8 -5.430 6.135 4.126 1.00 0.00 ATOM 62 CG1 ILE A 8 -6.746 6.898 4.288 1.00 0.00 ATOM 63 CG2 ILE A 8 -4.737 6.632 2.867 1.00 0.00 ATOM 64 CD1 ILE A 8 -6.567 8.355 4.654 1.00 0.00 ATOM 65 O ILE A 8 -4.226 3.444 2.614 1.00 0.00 ATOM 66 C ILE A 8 -4.437 3.927 3.721 1.00 0.00 ATOM 67 N LEU A 9 -3.562 3.832 4.716 1.00 0.00 ATOM 68 CA LEU A 9 -2.349 3.197 4.461 1.00 0.00 ATOM 69 CB LEU A 9 -1.251 3.756 5.368 1.00 0.00 ATOM 70 CG LEU A 9 -0.970 5.255 5.247 1.00 0.00 ATOM 71 CD1 LEU A 9 0.119 5.678 6.222 1.00 0.00 ATOM 72 CD2 LEU A 9 -0.510 5.604 3.840 1.00 0.00 ATOM 73 O LEU A 9 -1.856 1.281 5.652 1.00 0.00 ATOM 74 C LEU A 9 -2.435 1.783 4.693 1.00 0.00 ATOM 75 N VAL A 10 -3.118 1.094 3.800 1.00 0.00 ATOM 76 CA VAL A 10 -2.884 -0.281 3.928 1.00 0.00 ATOM 77 CB VAL A 10 -4.191 -1.088 3.819 1.00 0.00 ATOM 78 CG1 VAL A 10 -3.902 -2.580 3.884 1.00 0.00 ATOM 79 CG2 VAL A 10 -5.134 -0.731 4.957 1.00 0.00 ATOM 80 O VAL A 10 -2.181 0.155 1.735 1.00 0.00 ATOM 81 C VAL A 10 -1.977 -0.453 2.782 1.00 0.00 ATOM 82 N CYS A 11 -0.897 -1.212 2.927 1.00 0.00 ATOM 83 CA CYS A 11 -0.148 -1.211 1.729 1.00 0.00 ATOM 84 CB CYS A 11 1.335 -1.441 2.024 1.00 0.00 ATOM 85 SG CYS A 11 2.395 -1.457 0.559 1.00 0.00 ATOM 86 O CYS A 11 -0.664 -3.472 1.424 1.00 0.00 ATOM 87 C CYS A 11 -0.762 -2.330 0.986 1.00 0.00 ATOM 88 N PRO A 12 -1.450 -2.033 -0.083 1.00 0.00 ATOM 89 CA PRO A 12 -2.070 -3.060 -0.852 1.00 0.00 ATOM 90 CB PRO A 12 -2.619 -2.325 -2.076 1.00 0.00 ATOM 91 CG PRO A 12 -1.830 -1.060 -2.138 1.00 0.00 ATOM 92 CD PRO A 12 -1.534 -0.684 -0.713 1.00 0.00 ATOM 93 O PRO A 12 -1.327 -5.255 -1.166 1.00 0.00 ATOM 94 C PRO A 12 -1.040 -4.060 -1.203 1.00 0.00 ATOM 95 N LEU A 13 0.163 -3.594 -1.561 1.00 0.00 ATOM 96 CA LEU A 13 1.152 -4.553 -1.910 1.00 0.00 ATOM 97 CB LEU A 13 2.319 -3.880 -2.635 1.00 0.00 ATOM 98 CG LEU A 13 3.451 -4.799 -3.098 1.00 0.00 ATOM 99 CD1 LEU A 13 2.932 -5.838 -4.080 1.00 0.00 ATOM 100 CD2 LEU A 13 4.546 -3.999 -3.786 1.00 0.00 ATOM 101 O LEU A 13 1.846 -6.419 -0.597 1.00 0.00 ATOM 102 C LEU A 13 1.659 -5.207 -0.664 1.00 0.00 ATOM 103 N CYS A 14 1.874 -4.410 0.392 1.00 0.00 ATOM 104 CA CYS A 14 2.506 -4.981 1.540 1.00 0.00 ATOM 105 CB CYS A 14 2.822 -3.897 2.573 1.00 0.00 ATOM 106 SG CYS A 14 4.115 -2.739 2.068 1.00 0.00 ATOM 107 O CYS A 14 2.124 -6.978 2.750 1.00 0.00 ATOM 108 C CYS A 14 1.632 -5.998 2.194 1.00 0.00 ATOM 109 N LYS A 15 0.305 -5.775 2.140 1.00 0.00 ATOM 110 CA LYS A 15 -0.683 -6.526 2.862 1.00 0.00 ATOM 111 CB LYS A 15 -0.533 -8.022 2.577 1.00 0.00 ATOM 112 CG LYS A 15 -0.756 -8.402 1.123 1.00 0.00 ATOM 113 CD LYS A 15 -0.611 -9.901 0.915 1.00 0.00 ATOM 114 CE LYS A 15 -0.735 -10.270 -0.554 1.00 0.00 ATOM 115 NZ LYS A 15 -0.562 -11.732 -0.776 1.00 0.00 ATOM 116 O LYS A 15 -0.929 -6.863 5.195 1.00 0.00 ATOM 117 C LYS A 15 -0.418 -6.217 4.287 1.00 0.00 ATOM 118 N GLY A 16 0.349 -5.152 4.544 1.00 0.00 ATOM 119 CA GLY A 16 0.630 -4.980 5.918 1.00 0.00 ATOM 120 O GLY A 16 -0.043 -2.755 5.483 1.00 0.00 ATOM 121 C GLY A 16 0.111 -3.670 6.294 1.00 0.00 ATOM 122 N PRO A 17 -0.199 -3.644 7.549 1.00 0.00 ATOM 123 CA PRO A 17 -0.721 -2.462 8.128 1.00 0.00 ATOM 124 CB PRO A 17 -0.922 -2.828 9.600 1.00 0.00 ATOM 125 CG PRO A 17 -1.081 -4.312 9.597 1.00 0.00 ATOM 126 CD PRO A 17 -0.149 -4.829 8.537 1.00 0.00 ATOM 127 O PRO A 17 1.544 -1.834 8.014 1.00 0.00 ATOM 128 C PRO A 17 0.371 -1.495 7.859 1.00 0.00 ATOM 129 N LEU A 18 0.046 -0.294 7.401 1.00 0.00 ATOM 130 CA LEU A 18 1.183 0.524 7.216 1.00 0.00 ATOM 131 CB LEU A 18 0.850 1.706 6.303 1.00 0.00 ATOM 132 CG LEU A 18 0.425 1.359 4.874 1.00 0.00 ATOM 133 CD1 LEU A 18 0.029 2.615 4.112 1.00 0.00 ATOM 134 CD2 LEU A 18 1.562 0.686 4.123 1.00 0.00 ATOM 135 O LEU A 18 0.855 1.206 9.447 1.00 0.00 ATOM 136 C LEU A 18 1.631 1.036 8.513 1.00 0.00 ATOM 137 N VAL A 19 2.940 1.279 8.589 1.00 0.00 ATOM 138 CA VAL A 19 3.454 1.906 9.742 1.00 0.00 ATOM 139 CB VAL A 19 4.952 1.603 9.929 1.00 0.00 ATOM 140 CG1 VAL A 19 5.504 2.362 11.126 1.00 0.00 ATOM 141 CG2 VAL A 19 5.170 0.116 10.161 1.00 0.00 ATOM 142 O VAL A 19 3.487 3.923 8.466 1.00 0.00 ATOM 143 C VAL A 19 3.239 3.353 9.529 1.00 0.00 ATOM 144 N PHE A 20 2.724 3.946 10.596 1.00 0.00 ATOM 145 CA PHE A 20 2.341 5.299 10.769 1.00 0.00 ATOM 146 CB PHE A 20 1.114 5.397 11.678 1.00 0.00 ATOM 147 CG PHE A 20 0.628 6.802 11.891 1.00 0.00 ATOM 148 CD1 PHE A 20 -0.076 7.463 10.901 1.00 0.00 ATOM 149 CD2 PHE A 20 0.875 7.462 13.082 1.00 0.00 ATOM 150 CE1 PHE A 20 -0.524 8.756 11.096 1.00 0.00 ATOM 151 CE2 PHE A 20 0.427 8.755 13.278 1.00 0.00 ATOM 152 CZ PHE A 20 -0.269 9.402 12.292 1.00 0.00 ATOM 153 O PHE A 20 3.955 5.750 12.430 1.00 0.00 ATOM 154 C PHE A 20 3.420 6.096 11.380 1.00 0.00 ATOM 155 N ASP A 21 3.777 7.193 10.711 1.00 0.00 ATOM 156 CA ASP A 21 4.474 8.174 11.456 1.00 0.00 ATOM 157 CB ASP A 21 5.970 8.124 11.140 1.00 0.00 ATOM 158 CG ASP A 21 6.774 9.106 11.969 1.00 0.00 ATOM 159 OD1 ASP A 21 6.159 9.897 12.715 1.00 0.00 ATOM 160 OD2 ASP A 21 8.019 9.085 11.874 1.00 0.00 ATOM 161 O ASP A 21 4.110 9.960 9.944 1.00 0.00 ATOM 162 C ASP A 21 3.895 9.467 11.051 1.00 0.00 ATOM 163 N LYS A 22 3.051 9.985 11.955 1.00 0.00 ATOM 164 CA LYS A 22 2.463 11.273 11.822 1.00 0.00 ATOM 165 CB LYS A 22 1.285 11.426 12.786 1.00 0.00 ATOM 166 CG LYS A 22 1.673 11.371 14.255 1.00 0.00 ATOM 167 CD LYS A 22 0.451 11.470 15.153 1.00 0.00 ATOM 168 CE LYS A 22 0.841 11.432 16.622 1.00 0.00 ATOM 169 NZ LYS A 22 -0.341 11.584 17.514 1.00 0.00 ATOM 170 O LYS A 22 4.684 11.717 12.406 1.00 0.00 ATOM 171 C LYS A 22 3.580 12.179 12.155 1.00 0.00 ATOM 172 N SER A 23 3.383 13.493 12.055 1.00 0.00 ATOM 173 CA SER A 23 4.405 14.419 12.443 1.00 0.00 ATOM 174 CB SER A 23 4.919 14.092 13.846 1.00 0.00 ATOM 175 OG SER A 23 5.768 12.957 13.828 1.00 0.00 ATOM 176 O SER A 23 6.484 15.177 11.574 1.00 0.00 ATOM 177 C SER A 23 5.563 14.366 11.498 1.00 0.00 ATOM 178 N LYS A 24 5.533 13.414 10.560 1.00 0.00 ATOM 179 CA LYS A 24 6.486 13.357 9.505 1.00 0.00 ATOM 180 CB LYS A 24 7.506 12.246 9.763 1.00 0.00 ATOM 181 CG LYS A 24 8.372 12.472 10.992 1.00 0.00 ATOM 182 CD LYS A 24 9.390 11.357 11.162 1.00 0.00 ATOM 183 CE LYS A 24 10.150 11.498 12.471 1.00 0.00 ATOM 184 NZ LYS A 24 11.228 10.478 12.601 1.00 0.00 ATOM 185 O LYS A 24 5.841 13.223 7.209 1.00 0.00 ATOM 186 C LYS A 24 5.547 13.083 8.395 1.00 0.00 ATOM 187 N ASP A 25 4.329 12.719 8.842 1.00 0.00 ATOM 188 CA ASP A 25 3.210 12.428 8.019 1.00 0.00 ATOM 189 CB ASP A 25 2.699 13.700 7.340 1.00 0.00 ATOM 190 CG ASP A 25 2.183 14.723 8.333 1.00 0.00 ATOM 191 OD1 ASP A 25 1.379 14.346 9.211 1.00 0.00 ATOM 192 OD2 ASP A 25 2.583 15.902 8.233 1.00 0.00 ATOM 193 O ASP A 25 3.140 11.480 5.865 1.00 0.00 ATOM 194 C ASP A 25 3.626 11.455 6.990 1.00 0.00 ATOM 195 N GLU A 26 4.495 10.512 7.347 1.00 0.00 ATOM 196 CA GLU A 26 4.785 9.580 6.324 1.00 0.00 ATOM 197 CB GLU A 26 6.295 9.485 6.098 1.00 0.00 ATOM 198 CG GLU A 26 6.918 10.749 5.528 1.00 0.00 ATOM 199 CD GLU A 26 8.401 10.595 5.254 1.00 0.00 ATOM 200 OE1 GLU A 26 8.931 9.482 5.457 1.00 0.00 ATOM 201 OE2 GLU A 26 9.034 11.587 4.837 1.00 0.00 ATOM 202 O GLU A 26 4.659 7.780 7.839 1.00 0.00 ATOM 203 C GLU A 26 4.234 8.288 6.807 1.00 0.00 ATOM 204 N LEU A 27 3.217 7.740 6.119 1.00 0.00 ATOM 205 CA LEU A 27 2.778 6.446 6.532 1.00 0.00 ATOM 206 CB LEU A 27 1.252 6.404 6.631 1.00 0.00 ATOM 207 CG LEU A 27 0.633 5.057 7.008 1.00 0.00 ATOM 208 CD1 LEU A 27 1.012 4.670 8.430 1.00 0.00 ATOM 209 CD2 LEU A 27 -0.884 5.118 6.920 1.00 0.00 ATOM 210 O LEU A 27 3.046 5.640 4.302 1.00 0.00 ATOM 211 C LEU A 27 3.259 5.502 5.503 1.00 0.00 ATOM 212 N ILE A 28 3.956 4.473 5.951 1.00 0.00 ATOM 213 CA ILE A 28 4.575 3.722 4.931 1.00 0.00 ATOM 214 CB ILE A 28 6.097 3.957 4.901 1.00 0.00 ATOM 215 CG1 ILE A 28 6.727 3.539 6.232 1.00 0.00 ATOM 216 CG2 ILE A 28 6.404 5.427 4.663 1.00 0.00 ATOM 217 CD1 ILE A 28 8.240 3.543 6.219 1.00 0.00 ATOM 218 O ILE A 28 3.718 1.989 6.246 1.00 0.00 ATOM 219 C ILE A 28 4.294 2.312 5.215 1.00 0.00 ATOM 220 N CYS A 29 4.546 1.436 4.247 1.00 0.00 ATOM 221 CA CYS A 29 4.351 0.079 4.591 1.00 0.00 ATOM 222 CB CYS A 29 3.579 -0.648 3.488 1.00 0.00 ATOM 223 SG CYS A 29 3.256 -2.394 3.829 1.00 0.00 ATOM 224 O CYS A 29 6.517 -0.472 3.840 1.00 0.00 ATOM 225 C CYS A 29 5.692 -0.489 4.749 1.00 0.00 ATOM 226 N LYS A 30 5.967 -0.917 5.981 1.00 0.00 ATOM 227 CA LYS A 30 7.172 -1.613 6.182 1.00 0.00 ATOM 228 CB LYS A 30 7.558 -1.600 7.663 1.00 0.00 ATOM 229 CG LYS A 30 8.899 -2.251 7.960 1.00 0.00 ATOM 230 CD LYS A 30 9.243 -2.156 9.438 1.00 0.00 ATOM 231 CE LYS A 30 10.580 -2.813 9.737 1.00 0.00 ATOM 232 NZ LYS A 30 10.921 -2.746 11.185 1.00 0.00 ATOM 233 O LYS A 30 5.799 -3.536 6.135 1.00 0.00 ATOM 234 C LYS A 30 6.781 -2.947 5.683 1.00 0.00 ATOM 235 N GLY A 31 7.534 -3.397 4.673 1.00 0.00 ATOM 236 CA GLY A 31 7.260 -4.564 3.909 1.00 0.00 ATOM 237 O GLY A 31 5.830 -3.420 2.439 1.00 0.00 ATOM 238 C GLY A 31 6.895 -4.024 2.577 1.00 0.00 ATOM 239 N ASP A 32 7.751 -4.298 1.562 1.00 0.00 ATOM 240 CA ASP A 32 7.587 -3.730 0.255 1.00 0.00 ATOM 241 CB ASP A 32 6.404 -4.378 -0.466 1.00 0.00 ATOM 242 CG ASP A 32 6.704 -5.792 -0.924 1.00 0.00 ATOM 243 OD1 ASP A 32 7.897 -6.157 -0.983 1.00 0.00 ATOM 244 OD2 ASP A 32 5.746 -6.535 -1.224 1.00 0.00 ATOM 245 O ASP A 32 6.211 -1.827 0.472 1.00 0.00 ATOM 246 C ASP A 32 7.347 -2.292 0.499 1.00 0.00 ATOM 247 N ARG A 33 8.426 -1.572 0.848 1.00 0.00 ATOM 248 CA ARG A 33 8.234 -0.224 1.266 1.00 0.00 ATOM 249 CB ARG A 33 9.579 0.442 1.561 1.00 0.00 ATOM 250 CG ARG A 33 9.465 1.846 2.134 1.00 0.00 ATOM 251 CD ARG A 33 10.835 2.444 2.407 1.00 0.00 ATOM 252 NE ARG A 33 11.575 1.682 3.410 1.00 0.00 ATOM 253 CZ ARG A 33 11.407 1.813 4.722 1.00 0.00 ATOM 254 NH1 ARG A 33 12.125 1.076 5.559 1.00 0.00 ATOM 255 NH2 ARG A 33 10.521 2.679 5.194 1.00 0.00 ATOM 256 O ARG A 33 7.950 0.552 -0.968 1.00 0.00 ATOM 257 C ARG A 33 7.545 0.537 0.190 1.00 0.00 ATOM 258 N LEU A 34 6.415 1.159 0.554 1.00 0.00 ATOM 259 CA LEU A 34 5.694 1.848 -0.460 1.00 0.00 ATOM 260 CB LEU A 34 4.397 1.107 -0.793 1.00 0.00 ATOM 261 CG LEU A 34 4.551 -0.265 -1.452 1.00 0.00 ATOM 262 CD1 LEU A 34 3.217 -0.995 -1.491 1.00 0.00 ATOM 263 CD2 LEU A 34 5.057 -0.123 -2.879 1.00 0.00 ATOM 264 O LEU A 34 4.461 3.847 -0.172 1.00 0.00 ATOM 265 C LEU A 34 5.438 3.177 0.153 1.00 0.00 ATOM 266 N ALA A 35 6.459 3.618 0.932 1.00 0.00 ATOM 267 CA ALA A 35 6.442 4.726 1.839 1.00 0.00 ATOM 268 CB ALA A 35 7.846 5.281 2.024 1.00 0.00 ATOM 269 O ALA A 35 5.823 6.354 0.258 1.00 0.00 ATOM 270 C ALA A 35 5.584 5.785 1.316 1.00 0.00 ATOM 271 N PHE A 36 4.482 6.049 2.016 1.00 0.00 ATOM 272 CA PHE A 36 3.776 7.108 1.412 1.00 0.00 ATOM 273 CB PHE A 36 2.438 6.613 0.859 1.00 0.00 ATOM 274 CG PHE A 36 2.573 5.572 -0.215 1.00 0.00 ATOM 275 CD1 PHE A 36 2.556 4.225 0.101 1.00 0.00 ATOM 276 CD2 PHE A 36 2.718 5.940 -1.541 1.00 0.00 ATOM 277 CE1 PHE A 36 2.681 3.267 -0.887 1.00 0.00 ATOM 278 CE2 PHE A 36 2.843 4.982 -2.529 1.00 0.00 ATOM 279 CZ PHE A 36 2.825 3.650 -2.207 1.00 0.00 ATOM 280 O PHE A 36 3.198 8.040 3.562 1.00 0.00 ATOM 281 C PHE A 36 3.495 8.196 2.379 1.00 0.00 ATOM 282 N PRO A 37 3.686 9.349 1.849 1.00 0.00 ATOM 283 CA PRO A 37 3.433 10.503 2.625 1.00 0.00 ATOM 284 CB PRO A 37 3.829 11.661 1.706 1.00 0.00 ATOM 285 CG PRO A 37 4.827 11.069 0.768 1.00 0.00 ATOM 286 CD PRO A 37 4.349 9.674 0.478 1.00 0.00 ATOM 287 O PRO A 37 1.165 10.535 2.003 1.00 0.00 ATOM 288 C PRO A 37 1.983 10.411 2.911 1.00 0.00 ATOM 289 N ILE A 38 1.677 10.152 4.182 1.00 0.00 ATOM 290 CA ILE A 38 0.358 10.035 4.693 1.00 0.00 ATOM 291 CB ILE A 38 0.356 9.480 6.129 1.00 0.00 ATOM 292 CG1 ILE A 38 -1.043 8.995 6.512 1.00 0.00 ATOM 293 CG2 ILE A 38 0.781 10.556 7.117 1.00 0.00 ATOM 294 CD1 ILE A 38 -1.081 8.182 7.788 1.00 0.00 ATOM 295 O ILE A 38 -1.516 11.437 4.670 1.00 0.00 ATOM 296 C ILE A 38 -0.294 11.351 4.711 1.00 0.00 ATOM 297 N LYS A 39 0.519 12.398 4.880 1.00 0.00 ATOM 298 CA LYS A 39 0.027 13.720 5.077 1.00 0.00 ATOM 299 CB LYS A 39 1.174 14.732 5.026 1.00 0.00 ATOM 300 CG LYS A 39 0.745 16.169 5.275 1.00 0.00 ATOM 301 CD LYS A 39 1.938 17.111 5.262 1.00 0.00 ATOM 302 CE LYS A 39 1.503 18.555 5.450 1.00 0.00 ATOM 303 NZ LYS A 39 2.658 19.494 5.400 1.00 0.00 ATOM 304 O LYS A 39 -0.786 13.637 2.893 1.00 0.00 ATOM 305 C LYS A 39 -0.939 14.057 4.034 1.00 0.00 ATOM 306 N ASP A 40 -1.922 14.891 4.423 1.00 0.00 ATOM 307 CA ASP A 40 -3.039 15.141 3.586 1.00 0.00 ATOM 308 CB ASP A 40 -2.580 15.467 2.163 1.00 0.00 ATOM 309 CG ASP A 40 -1.825 14.322 1.518 1.00 0.00 ATOM 310 OD1 ASP A 40 -1.665 13.271 2.174 1.00 0.00 ATOM 311 OD2 ASP A 40 -1.394 14.475 0.356 1.00 0.00 ATOM 312 O ASP A 40 -3.774 13.191 4.679 1.00 0.00 ATOM 313 C ASP A 40 -3.777 13.877 3.661 1.00 0.00 ATOM 314 N GLY A 41 -4.506 13.560 2.604 1.00 0.00 ATOM 315 CA GLY A 41 -5.028 12.249 2.612 1.00 0.00 ATOM 316 O GLY A 41 -3.010 12.114 1.446 1.00 0.00 ATOM 317 C GLY A 41 -3.985 11.521 1.904 1.00 0.00 ATOM 318 N ILE A 42 -4.148 10.219 1.727 1.00 0.00 ATOM 319 CA ILE A 42 -2.957 9.740 1.162 1.00 0.00 ATOM 320 CB ILE A 42 -2.346 8.608 2.009 1.00 0.00 ATOM 321 CG1 ILE A 42 -2.024 9.111 3.418 1.00 0.00 ATOM 322 CG2 ILE A 42 -1.061 8.101 1.372 1.00 0.00 ATOM 323 CD1 ILE A 42 -1.605 8.017 4.375 1.00 0.00 ATOM 324 O ILE A 42 -4.054 8.370 -0.402 1.00 0.00 ATOM 325 C ILE A 42 -3.187 9.208 -0.189 1.00 0.00 ATOM 326 N PRO A 43 -2.459 9.713 -1.130 1.00 0.00 ATOM 327 CA PRO A 43 -2.347 8.959 -2.314 1.00 0.00 ATOM 328 CB PRO A 43 -1.807 9.958 -3.339 1.00 0.00 ATOM 329 CG PRO A 43 -1.056 10.958 -2.526 1.00 0.00 ATOM 330 CD PRO A 43 -1.760 11.032 -1.201 1.00 0.00 ATOM 331 O PRO A 43 -0.343 8.282 -1.354 1.00 0.00 ATOM 332 C PRO A 43 -1.407 7.931 -1.866 1.00 0.00 ATOM 333 N MET A 44 -1.772 6.662 -2.027 1.00 0.00 ATOM 334 CA MET A 44 -0.840 5.723 -1.546 1.00 0.00 ATOM 335 CB MET A 44 -1.460 4.873 -0.436 1.00 0.00 ATOM 336 CG MET A 44 -2.733 4.149 -0.846 1.00 0.00 ATOM 337 SD MET A 44 -3.488 3.243 0.518 1.00 0.00 ATOM 338 CE MET A 44 -2.552 1.717 0.470 1.00 0.00 ATOM 339 O MET A 44 -0.302 3.692 -2.617 1.00 0.00 ATOM 340 C MET A 44 -0.488 4.906 -2.688 1.00 0.00 ATOM 341 N MET A 45 -0.341 5.628 -3.783 1.00 0.00 ATOM 342 CA MET A 45 -0.032 4.988 -4.978 1.00 0.00 ATOM 343 CB MET A 45 -0.093 5.975 -6.146 1.00 0.00 ATOM 344 CG MET A 45 -1.495 6.461 -6.475 1.00 0.00 ATOM 345 SD MET A 45 -1.514 7.684 -7.800 1.00 0.00 ATOM 346 CE MET A 45 -1.051 6.671 -9.202 1.00 0.00 ATOM 347 O MET A 45 2.152 5.234 -4.184 1.00 0.00 ATOM 348 C MET A 45 1.324 4.501 -4.723 1.00 0.00 ATOM 349 N LEU A 46 1.571 3.217 -4.976 1.00 0.00 ATOM 350 CA LEU A 46 2.967 3.029 -5.023 1.00 0.00 ATOM 351 CB LEU A 46 3.313 1.546 -4.877 1.00 0.00 ATOM 352 CG LEU A 46 4.802 1.193 -4.884 1.00 0.00 ATOM 353 CD1 LEU A 46 5.499 1.782 -3.667 1.00 0.00 ATOM 354 CD2 LEU A 46 4.997 -0.315 -4.861 1.00 0.00 ATOM 355 O LEU A 46 2.553 3.129 -7.319 1.00 0.00 ATOM 356 C LEU A 46 3.168 3.587 -6.365 1.00 0.00 ATOM 357 N GLU A 47 4.035 4.590 -6.461 1.00 0.00 ATOM 358 CA GLU A 47 4.070 5.456 -7.589 1.00 0.00 ATOM 359 CB GLU A 47 5.202 6.475 -7.447 1.00 0.00 ATOM 360 CG GLU A 47 4.960 7.527 -6.377 1.00 0.00 ATOM 361 CD GLU A 47 6.152 8.443 -6.180 1.00 0.00 ATOM 362 OE1 GLU A 47 7.194 8.209 -6.828 1.00 0.00 ATOM 363 OE2 GLU A 47 6.045 9.394 -5.378 1.00 0.00 ATOM 364 O GLU A 47 3.733 5.138 -9.884 1.00 0.00 ATOM 365 C GLU A 47 4.288 4.740 -8.862 1.00 0.00 ATOM 366 N SER A 48 5.118 3.691 -8.869 1.00 0.00 ATOM 367 CA SER A 48 5.386 3.158 -10.156 1.00 0.00 ATOM 368 CB SER A 48 6.858 2.756 -10.274 1.00 0.00 ATOM 369 OG SER A 48 7.116 2.124 -11.515 1.00 0.00 ATOM 370 O SER A 48 4.455 1.113 -9.499 1.00 0.00 ATOM 371 C SER A 48 4.547 1.975 -10.373 1.00 0.00 ATOM 372 N GLU A 49 3.961 1.931 -11.587 1.00 0.00 ATOM 373 CA GLU A 49 3.065 0.912 -11.981 1.00 0.00 ATOM 374 CB GLU A 49 3.823 -0.386 -12.269 1.00 0.00 ATOM 375 CG GLU A 49 4.851 -0.270 -13.382 1.00 0.00 ATOM 376 CD GLU A 49 5.618 -1.559 -13.603 1.00 0.00 ATOM 377 OE1 GLU A 49 5.269 -2.575 -12.965 1.00 0.00 ATOM 378 OE2 GLU A 49 6.567 -1.554 -14.414 1.00 0.00 ATOM 379 O GLU A 49 2.031 -0.331 -10.291 1.00 0.00 ATOM 380 C GLU A 49 2.158 0.751 -10.860 1.00 0.00 ATOM 381 N ALA A 50 1.524 1.867 -10.475 1.00 0.00 ATOM 382 CA ALA A 50 0.601 1.777 -9.398 1.00 0.00 ATOM 383 CB ALA A 50 0.409 3.139 -8.749 1.00 0.00 ATOM 384 O ALA A 50 -1.683 1.944 -9.969 1.00 0.00 ATOM 385 C ALA A 50 -0.643 1.295 -10.021 1.00 0.00 ATOM 386 N ARG A 51 -0.517 0.112 -10.623 1.00 0.00 ATOM 387 CA ARG A 51 -1.500 -0.660 -11.251 1.00 0.00 ATOM 388 CB ARG A 51 -0.863 -1.828 -12.006 1.00 0.00 ATOM 389 CG ARG A 51 -0.096 -1.417 -13.253 1.00 0.00 ATOM 390 CD ARG A 51 0.574 -2.613 -13.908 1.00 0.00 ATOM 391 NE ARG A 51 1.320 -2.235 -15.106 1.00 0.00 ATOM 392 CZ ARG A 51 2.061 -3.074 -15.822 1.00 0.00 ATOM 393 NH1 ARG A 51 2.704 -2.640 -16.897 1.00 0.00 ATOM 394 NH2 ARG A 51 2.157 -4.347 -15.460 1.00 0.00 ATOM 395 O ARG A 51 -3.535 -1.158 -10.251 1.00 0.00 ATOM 396 C ARG A 51 -2.321 -1.108 -10.148 1.00 0.00 ATOM 397 N GLU A 52 -1.643 -1.385 -9.036 1.00 0.00 ATOM 398 CA GLU A 52 -2.300 -1.815 -7.863 1.00 0.00 ATOM 399 CB GLU A 52 -1.305 -2.462 -6.898 1.00 0.00 ATOM 400 CG GLU A 52 -0.688 -3.751 -7.414 1.00 0.00 ATOM 401 CD GLU A 52 0.309 -4.351 -6.442 1.00 0.00 ATOM 402 OE1 GLU A 52 0.575 -3.718 -5.398 1.00 0.00 ATOM 403 OE2 GLU A 52 0.823 -5.454 -6.723 1.00 0.00 ATOM 404 O GLU A 52 -3.052 0.394 -7.972 1.00 0.00 ATOM 405 C GLU A 52 -2.893 -0.606 -7.270 1.00 0.00 ATOM 406 N LEU A 53 -3.184 -0.661 -5.952 1.00 0.00 ATOM 407 CA LEU A 53 -3.961 0.392 -5.390 1.00 0.00 ATOM 408 CB LEU A 53 -3.171 1.702 -5.396 1.00 0.00 ATOM 409 CG LEU A 53 -3.833 2.896 -4.704 1.00 0.00 ATOM 410 CD1 LEU A 53 -4.040 2.613 -3.224 1.00 0.00 ATOM 411 CD2 LEU A 53 -2.968 4.140 -4.834 1.00 0.00 ATOM 412 O LEU A 53 -5.297 1.346 -7.102 1.00 0.00 ATOM 413 C LEU A 53 -5.136 0.447 -6.277 1.00 0.00 ATOM 414 N ALA A 54 -5.916 -0.630 -6.199 1.00 0.00 ATOM 415 CA ALA A 54 -6.996 -0.748 -7.102 1.00 0.00 ATOM 416 CB ALA A 54 -7.784 -2.018 -6.822 1.00 0.00 ATOM 417 O ALA A 54 -7.992 1.013 -5.859 1.00 0.00 ATOM 418 C ALA A 54 -7.877 0.429 -6.933 1.00 0.00 ATOM 419 N PRO A 55 -8.481 0.773 -8.031 1.00 0.00 ATOM 420 CA PRO A 55 -9.366 1.886 -8.156 1.00 0.00 ATOM 421 CB PRO A 55 -9.906 1.771 -9.583 1.00 0.00 ATOM 422 CG PRO A 55 -8.822 1.077 -10.338 1.00 0.00 ATOM 423 CD PRO A 55 -8.253 0.050 -9.399 1.00 0.00 ATOM 424 O PRO A 55 -10.912 2.851 -6.701 1.00 0.00 ATOM 425 C PRO A 55 -10.454 1.805 -7.152 1.00 0.00 ATOM 426 N GLU A 56 -10.925 0.596 -6.813 1.00 0.00 ATOM 427 CA GLU A 56 -11.979 0.563 -5.856 1.00 0.00 ATOM 428 CB GLU A 56 -12.553 -0.851 -5.739 1.00 0.00 ATOM 429 CG GLU A 56 -13.339 -1.304 -6.958 1.00 0.00 ATOM 430 CD GLU A 56 -13.813 -2.740 -6.845 1.00 0.00 ATOM 431 OE1 GLU A 56 -13.473 -3.400 -5.840 1.00 0.00 ATOM 432 OE2 GLU A 56 -14.523 -3.205 -7.760 1.00 0.00 ATOM 433 O GLU A 56 -12.114 1.589 -3.751 1.00 0.00 ATOM 434 C GLU A 56 -11.420 0.986 -4.557 1.00 0.00 ATOM 435 N GLU A 57 -10.156 0.626 -4.305 1.00 0.00 ATOM 436 CA GLU A 57 -9.457 1.021 -3.125 1.00 0.00 ATOM 437 CB GLU A 57 -8.120 0.284 -3.022 1.00 0.00 ATOM 438 CG GLU A 57 -8.251 -1.201 -2.725 1.00 0.00 ATOM 439 CD GLU A 57 -6.916 -1.920 -2.753 1.00 0.00 ATOM 440 OE1 GLU A 57 -5.899 -1.272 -3.075 1.00 0.00 ATOM 441 OE2 GLU A 57 -6.889 -3.132 -2.452 1.00 0.00 ATOM 442 O GLU A 57 -9.229 3.199 -2.226 1.00 0.00 ATOM 443 C GLU A 57 -9.229 2.485 -3.223 1.00 0.00 ATOM 444 N GLU A 58 -8.979 2.967 -4.447 1.00 0.00 ATOM 445 CA GLU A 58 -8.745 4.356 -4.618 1.00 0.00 ATOM 446 CB GLU A 58 -8.369 4.661 -6.069 1.00 0.00 ATOM 447 CG GLU A 58 -6.991 4.161 -6.472 1.00 0.00 ATOM 448 CD GLU A 58 -6.703 4.371 -7.945 1.00 0.00 ATOM 449 OE1 GLU A 58 -7.608 4.840 -8.667 1.00 0.00 ATOM 450 OE2 GLU A 58 -5.572 4.066 -8.379 1.00 0.00 ATOM 451 O GLU A 58 -10.009 6.105 -3.694 1.00 0.00 ATOM 452 C GLU A 58 -10.010 5.015 -4.251 1.00 0.00 ATOM 453 N VAL A 59 -11.140 4.396 -4.608 1.00 0.00 ATOM 454 CA VAL A 59 -12.366 4.997 -4.230 1.00 0.00 ATOM 455 CB VAL A 59 -13.548 4.421 -5.032 1.00 0.00 ATOM 456 CG1 VAL A 59 -14.864 4.985 -4.520 1.00 0.00 ATOM 457 CG2 VAL A 59 -13.415 4.774 -6.505 1.00 0.00 ATOM 458 O VAL A 59 -13.264 5.603 -2.119 1.00 0.00 ATOM 459 C VAL A 59 -12.660 4.776 -2.778 1.00 0.00 ATOM 460 N LYS A 60 -12.302 3.634 -2.196 1.00 0.00 ATOM 461 CA LYS A 60 -12.637 3.473 -0.816 1.00 0.00 ATOM 462 CB LYS A 60 -12.300 2.057 -0.345 1.00 0.00 ATOM 463 CG LYS A 60 -13.205 0.980 -0.921 1.00 0.00 ATOM 464 CD LYS A 60 -12.818 -0.398 -0.408 1.00 0.00 ATOM 465 CE LYS A 60 -13.701 -1.479 -1.011 1.00 0.00 ATOM 466 NZ LYS A 60 -13.318 -2.837 -0.535 1.00 0.00 ATOM 467 O LYS A 60 -12.299 5.147 0.837 1.00 0.00 ATOM 468 C LYS A 60 -11.830 4.477 -0.080 1.00 0.00 ATOM 469 N LEU A 61 -10.573 4.614 -0.505 1.00 0.00 ATOM 470 CA LEU A 61 -9.668 5.539 0.091 1.00 0.00 ATOM 471 CB LEU A 61 -8.277 5.406 -0.533 1.00 0.00 ATOM 472 CG LEU A 61 -7.505 4.128 -0.200 1.00 0.00 ATOM 473 CD1 LEU A 61 -6.233 4.037 -1.030 1.00 0.00 ATOM 474 CD2 LEU A 61 -7.116 4.102 1.270 1.00 0.00 ATOM 475 O LEU A 61 -10.242 7.739 0.747 1.00 0.00 ATOM 476 C LEU A 61 -10.198 6.900 -0.146 1.00 0.00 ATOM 477 N GLU A 62 -10.612 7.145 -1.391 1.00 0.00 ATOM 478 CA GLU A 62 -11.103 8.416 -1.776 1.00 0.00 ATOM 479 CB GLU A 62 -10.165 9.067 -2.794 1.00 0.00 ATOM 480 CG GLU A 62 -10.580 10.467 -3.214 1.00 0.00 ATOM 481 CD GLU A 62 -9.655 11.061 -4.259 1.00 0.00 ATOM 482 OE1 GLU A 62 -8.726 10.353 -4.700 1.00 0.00 ATOM 483 OE2 GLU A 62 -9.860 12.234 -4.636 1.00 0.00 ATOM 484 O GLU A 62 -12.542 7.619 -3.476 1.00 0.00 ATOM 485 C GLU A 62 -12.426 8.142 -2.363 1.00 0.00 ATOM 486 N HIS A 63 -13.404 8.350 -1.471 1.00 0.00 ATOM 487 CA HIS A 63 -14.832 8.335 -1.476 1.00 0.00 ATOM 488 CB HIS A 63 -15.352 7.040 -2.102 1.00 0.00 ATOM 489 CG HIS A 63 -16.845 6.964 -2.182 1.00 0.00 ATOM 490 CD2 HIS A 63 -17.884 6.207 -1.498 1.00 0.00 ATOM 491 ND1 HIS A 63 -17.583 7.726 -3.061 1.00 0.00 ATOM 492 CE1 HIS A 63 -18.888 7.440 -2.900 1.00 0.00 ATOM 493 NE2 HIS A 63 -19.075 6.530 -1.964 1.00 0.00 ATOM 494 O HIS A 63 -16.060 8.957 0.459 1.00 0.00 ATOM 495 C HIS A 63 -15.061 8.438 -0.029 1.00 0.00 ATOM 496 N HIS A 64 -14.079 7.879 0.686 1.00 0.00 ATOM 497 CA HIS A 64 -14.045 7.955 2.093 1.00 0.00 ATOM 498 CB HIS A 64 -12.840 7.189 2.642 1.00 0.00 ATOM 499 CG HIS A 64 -12.700 7.269 4.130 1.00 0.00 ATOM 500 CD2 HIS A 64 -11.820 7.971 5.054 1.00 0.00 ATOM 501 ND1 HIS A 64 -13.519 6.575 4.993 1.00 0.00 ATOM 502 CE1 HIS A 64 -13.153 6.847 6.259 1.00 0.00 ATOM 503 NE2 HIS A 64 -12.134 7.683 6.303 1.00 0.00 ATOM 504 O HIS A 64 -14.717 9.974 3.114 1.00 0.00 ATOM 505 C HIS A 64 -13.945 9.410 2.346 1.00 0.00 ATOM 506 N HIS A 65 -12.995 10.065 1.658 1.00 0.00 ATOM 507 CA HIS A 65 -12.820 11.473 1.831 1.00 0.00 ATOM 508 CB HIS A 65 -11.501 11.930 1.205 1.00 0.00 ATOM 509 CG HIS A 65 -10.288 11.498 1.969 1.00 0.00 ATOM 510 CD2 HIS A 65 -9.416 12.106 2.964 1.00 0.00 ATOM 511 ND1 HIS A 65 -9.720 10.251 1.820 1.00 0.00 ATOM 512 CE1 HIS A 65 -8.652 10.157 2.632 1.00 0.00 ATOM 513 NE2 HIS A 65 -8.464 11.266 3.321 1.00 0.00 ATOM 514 O HIS A 65 -14.284 13.304 1.615 1.00 0.00 ATOM 515 C HIS A 65 -13.930 12.207 1.183 1.00 0.00 ATOM 516 N HIS A 66 -14.487 11.632 0.106 1.00 0.00 ATOM 517 CA HIS A 66 -15.587 12.284 -0.528 1.00 0.00 ATOM 518 CB HIS A 66 -16.083 11.462 -1.719 1.00 0.00 ATOM 519 CG HIS A 66 -15.136 11.444 -2.878 1.00 0.00 ATOM 520 CD2 HIS A 66 -13.963 12.211 -3.271 1.00 0.00 ATOM 521 ND1 HIS A 66 -15.252 10.551 -3.921 1.00 0.00 ATOM 522 CE1 HIS A 66 -14.264 10.779 -4.804 1.00 0.00 ATOM 523 NE2 HIS A 66 -13.487 11.774 -4.421 1.00 0.00 ATOM 524 O HIS A 66 -17.319 13.371 0.674 1.00 0.00 ATOM 525 C HIS A 66 -16.612 12.376 0.543 1.00 0.00 ATOM 526 N HIS A 67 -16.676 11.322 1.366 1.00 0.00 ATOM 527 CA HIS A 67 -17.557 11.287 2.479 1.00 0.00 ATOM 528 CB HIS A 67 -17.195 12.383 3.483 1.00 0.00 ATOM 529 CG HIS A 67 -15.828 12.233 4.075 1.00 0.00 ATOM 530 CD2 HIS A 67 -14.891 11.134 4.259 1.00 0.00 ATOM 531 ND1 HIS A 67 -15.135 13.289 4.626 1.00 0.00 ATOM 532 CE1 HIS A 67 -13.946 12.847 5.072 1.00 0.00 ATOM 533 NE2 HIS A 67 -13.793 11.555 4.855 1.00 0.00 ATOM 534 O HIS A 67 -19.763 12.121 2.634 1.00 0.00 ATOM 535 C HIS A 67 -18.932 11.503 1.974 1.00 0.00 ATOM 536 N HIS A 68 -19.201 10.989 0.768 1.00 0.00 ATOM 537 CA HIS A 68 -20.513 11.071 0.230 1.00 0.00 ATOM 538 CB HIS A 68 -20.535 11.993 -0.991 1.00 0.00 ATOM 539 CG HIS A 68 -20.318 13.437 -0.661 1.00 0.00 ATOM 540 CD2 HIS A 68 -20.287 14.230 0.559 1.00 0.00 ATOM 541 ND1 HIS A 68 -20.074 14.392 -1.624 1.00 0.00 ATOM 542 CE1 HIS A 68 -19.922 15.588 -1.027 1.00 0.00 ATOM 543 NE2 HIS A 68 -20.048 15.498 0.283 1.00 0.00 ATOM 544 O HIS A 68 -21.270 9.410 -1.314 1.00 0.00 ATOM 545 C HIS A 68 -20.856 9.636 -0.147 1.00 0.00 ENDMDL