EXPDTA T0348TS135_2-scwrl MODEL 1 REMARK 44 REMARK 44 model 1 is called T0348TS135_2-scwrl ATOM 1 N MET A 1 -0.856 0.096 5.903 1.00 0.00 ATOM 2 CA MET A 1 -0.206 1.197 6.675 1.00 0.00 ATOM 3 CB MET A 1 0.137 2.368 5.752 1.00 0.00 ATOM 4 CG MET A 1 1.140 2.027 4.662 1.00 0.00 ATOM 5 SD MET A 1 2.756 1.574 5.321 1.00 0.00 ATOM 6 CE MET A 1 3.581 1.011 3.835 1.00 0.00 ATOM 7 O MET A 1 -1.181 3.022 7.979 1.00 0.00 ATOM 8 C MET A 1 -1.077 1.799 7.835 1.00 0.00 ATOM 9 N ASP A 2 -1.617 0.942 8.729 1.00 0.00 ATOM 10 CA ASP A 2 -2.298 1.367 9.997 1.00 0.00 ATOM 11 CB ASP A 2 -1.325 2.129 10.899 1.00 0.00 ATOM 12 CG ASP A 2 -1.795 2.195 12.338 1.00 0.00 ATOM 13 OD1 ASP A 2 -2.895 1.681 12.628 1.00 0.00 ATOM 14 OD2 ASP A 2 -1.063 2.762 13.177 1.00 0.00 ATOM 15 O ASP A 2 -4.085 2.483 8.684 1.00 0.00 ATOM 16 C ASP A 2 -3.550 2.322 9.787 1.00 0.00 ATOM 17 N ALA A 3 -4.027 2.974 10.850 1.00 0.00 ATOM 18 CA ALA A 3 -4.495 4.386 10.750 1.00 0.00 ATOM 19 CB ALA A 3 -5.547 4.672 11.811 1.00 0.00 ATOM 20 O ALA A 3 -3.274 6.416 10.182 1.00 0.00 ATOM 21 C ALA A 3 -3.352 5.451 10.946 1.00 0.00 ATOM 22 N LYS A 4 -2.461 5.260 11.939 1.00 0.00 ATOM 23 CA LYS A 4 -1.401 6.236 12.324 1.00 0.00 ATOM 24 CB LYS A 4 -0.552 5.681 13.470 1.00 0.00 ATOM 25 CG LYS A 4 -1.280 5.609 14.802 1.00 0.00 ATOM 26 CD LYS A 4 -0.380 5.052 15.894 1.00 0.00 ATOM 27 CE LYS A 4 -1.115 4.957 17.221 1.00 0.00 ATOM 28 NZ LYS A 4 -0.256 4.382 18.292 1.00 0.00 ATOM 29 O LYS A 4 -0.022 7.821 11.119 1.00 0.00 ATOM 30 C LYS A 4 -0.366 6.644 11.218 1.00 0.00 ATOM 31 N PHE A 5 0.159 5.700 10.413 1.00 0.00 ATOM 32 CA PHE A 5 1.088 6.024 9.283 1.00 0.00 ATOM 33 CB PHE A 5 1.685 4.743 8.696 1.00 0.00 ATOM 34 CG PHE A 5 2.638 4.040 9.620 1.00 0.00 ATOM 35 CD1 PHE A 5 3.190 4.702 10.703 1.00 0.00 ATOM 36 CD2 PHE A 5 2.983 2.717 9.406 1.00 0.00 ATOM 37 CE1 PHE A 5 4.068 4.055 11.552 1.00 0.00 ATOM 38 CE2 PHE A 5 3.860 2.070 10.255 1.00 0.00 ATOM 39 CZ PHE A 5 4.402 2.734 11.325 1.00 0.00 ATOM 40 O PHE A 5 1.154 7.584 7.427 1.00 0.00 ATOM 41 C PHE A 5 0.463 6.786 8.063 1.00 0.00 ATOM 42 N LEU A 6 -0.832 6.593 7.763 1.00 0.00 ATOM 43 CA LEU A 6 -1.630 7.563 6.954 1.00 0.00 ATOM 44 CB LEU A 6 -3.064 7.061 6.777 1.00 0.00 ATOM 45 CG LEU A 6 -3.997 7.949 5.951 1.00 0.00 ATOM 46 CD1 LEU A 6 -3.475 8.101 4.530 1.00 0.00 ATOM 47 CD2 LEU A 6 -5.392 7.348 5.883 1.00 0.00 ATOM 48 O LEU A 6 -1.610 9.987 6.822 1.00 0.00 ATOM 49 C LEU A 6 -1.753 9.013 7.566 1.00 0.00 ATOM 50 N GLU A 7 -1.970 9.158 8.890 1.00 0.00 ATOM 51 CA GLU A 7 -1.904 10.467 9.610 1.00 0.00 ATOM 52 CB GLU A 7 -2.295 10.291 11.079 1.00 0.00 ATOM 53 CG GLU A 7 -2.288 11.581 11.882 1.00 0.00 ATOM 54 CD GLU A 7 -2.630 11.361 13.342 1.00 0.00 ATOM 55 OE1 GLU A 7 -2.890 10.200 13.723 1.00 0.00 ATOM 56 OE2 GLU A 7 -2.639 12.349 14.106 1.00 0.00 ATOM 57 O GLU A 7 -0.356 12.302 9.176 1.00 0.00 ATOM 58 C GLU A 7 -0.485 11.157 9.618 1.00 0.00 ATOM 59 N ILE A 8 0.578 10.487 10.113 1.00 0.00 ATOM 60 CA ILE A 8 1.953 11.088 10.224 1.00 0.00 ATOM 61 CB ILE A 8 2.872 10.233 11.116 1.00 0.00 ATOM 62 CG1 ILE A 8 3.076 8.848 10.499 1.00 0.00 ATOM 63 CG2 ILE A 8 2.262 10.060 12.498 1.00 0.00 ATOM 64 CD1 ILE A 8 4.120 8.012 11.206 1.00 0.00 ATOM 65 O ILE A 8 3.663 12.127 8.856 1.00 0.00 ATOM 66 C ILE A 8 2.772 11.273 8.893 1.00 0.00 ATOM 67 N LEU A 9 2.479 10.534 7.804 1.00 0.00 ATOM 68 CA LEU A 9 3.006 10.853 6.443 1.00 0.00 ATOM 69 CB LEU A 9 2.544 9.803 5.430 1.00 0.00 ATOM 70 CG LEU A 9 3.154 8.408 5.575 1.00 0.00 ATOM 71 CD1 LEU A 9 2.479 7.425 4.630 1.00 0.00 ATOM 72 CD2 LEU A 9 4.640 8.434 5.251 1.00 0.00 ATOM 73 O LEU A 9 3.403 12.941 5.284 1.00 0.00 ATOM 74 C LEU A 9 2.562 12.240 5.853 1.00 0.00 ATOM 75 N VAL A 10 1.285 12.655 5.972 1.00 0.00 ATOM 76 CA VAL A 10 0.778 13.949 5.396 1.00 0.00 ATOM 77 CB VAL A 10 -0.759 13.958 5.294 1.00 0.00 ATOM 78 CG1 VAL A 10 -1.246 15.271 4.700 1.00 0.00 ATOM 79 CG2 VAL A 10 -1.240 12.821 4.405 1.00 0.00 ATOM 80 O VAL A 10 0.303 16.025 6.659 1.00 0.00 ATOM 81 C VAL A 10 1.154 15.239 6.227 1.00 0.00 ATOM 82 N CYS A 11 2.462 15.489 6.398 1.00 0.00 ATOM 83 CA CYS A 11 2.982 16.571 7.267 1.00 0.00 ATOM 84 CB CYS A 11 4.312 16.157 7.900 1.00 0.00 ATOM 85 SG CYS A 11 5.038 17.402 8.992 1.00 0.00 ATOM 86 O CYS A 11 3.980 17.887 5.498 1.00 0.00 ATOM 87 C CYS A 11 3.239 17.919 6.488 1.00 0.00 ATOM 88 N PRO A 12 2.722 19.124 6.894 1.00 0.00 ATOM 89 CA PRO A 12 3.001 20.422 6.187 1.00 0.00 ATOM 90 CB PRO A 12 2.409 21.484 7.116 1.00 0.00 ATOM 91 CG PRO A 12 1.331 20.770 7.861 1.00 0.00 ATOM 92 CD PRO A 12 1.854 19.386 8.124 1.00 0.00 ATOM 93 O PRO A 12 4.623 21.821 5.030 1.00 0.00 ATOM 94 C PRO A 12 4.457 20.907 5.842 1.00 0.00 ATOM 95 N LEU A 13 5.499 20.294 6.419 1.00 0.00 ATOM 96 CA LEU A 13 6.911 20.444 5.945 1.00 0.00 ATOM 97 CB LEU A 13 7.886 19.872 6.976 1.00 0.00 ATOM 98 CG LEU A 13 7.950 20.595 8.323 1.00 0.00 ATOM 99 CD1 LEU A 13 8.865 19.856 9.287 1.00 0.00 ATOM 100 CD2 LEU A 13 8.485 22.009 8.149 1.00 0.00 ATOM 101 O LEU A 13 8.407 19.988 4.079 1.00 0.00 ATOM 102 C LEU A 13 7.308 19.738 4.585 1.00 0.00 ATOM 103 N CYS A 14 6.450 18.900 3.975 1.00 0.00 ATOM 104 CA CYS A 14 6.697 18.252 2.661 1.00 0.00 ATOM 105 CB CYS A 14 5.715 17.100 2.439 1.00 0.00 ATOM 106 SG CYS A 14 5.941 16.217 0.877 1.00 0.00 ATOM 107 O CYS A 14 5.666 20.028 1.306 1.00 0.00 ATOM 108 C CYS A 14 6.553 19.176 1.399 1.00 0.00 ATOM 109 N LYS A 15 7.432 18.973 0.402 1.00 0.00 ATOM 110 CA LYS A 15 7.227 19.458 -1.000 1.00 0.00 ATOM 111 CB LYS A 15 8.211 20.583 -1.327 1.00 0.00 ATOM 112 CG LYS A 15 7.977 21.861 -0.538 1.00 0.00 ATOM 113 CD LYS A 15 8.972 22.942 -0.930 1.00 0.00 ATOM 114 CE LYS A 15 8.758 24.209 -0.118 1.00 0.00 ATOM 115 NZ LYS A 15 9.714 25.283 -0.505 1.00 0.00 ATOM 116 O LYS A 15 6.567 18.090 -2.889 1.00 0.00 ATOM 117 C LYS A 15 7.445 18.308 -2.050 1.00 0.00 ATOM 118 N GLY A 16 8.590 17.591 -2.036 1.00 0.00 ATOM 119 CA GLY A 16 8.810 16.401 -2.911 1.00 0.00 ATOM 120 O GLY A 16 7.585 14.970 -1.392 1.00 0.00 ATOM 121 C GLY A 16 8.299 15.014 -2.400 1.00 0.00 ATOM 122 N PRO A 17 8.618 13.853 -3.053 1.00 0.00 ATOM 123 CA PRO A 17 8.042 12.528 -2.672 1.00 0.00 ATOM 124 CB PRO A 17 8.654 11.554 -3.681 1.00 0.00 ATOM 125 CG PRO A 17 8.991 12.403 -4.862 1.00 0.00 ATOM 126 CD PRO A 17 9.440 13.726 -4.309 1.00 0.00 ATOM 127 O PRO A 17 9.473 11.780 -0.827 1.00 0.00 ATOM 128 C PRO A 17 8.325 11.982 -1.232 1.00 0.00 ATOM 129 N LEU A 18 7.243 11.709 -0.486 1.00 0.00 ATOM 130 CA LEU A 18 7.304 11.116 0.881 1.00 0.00 ATOM 131 CB LEU A 18 5.991 11.356 1.628 1.00 0.00 ATOM 132 CG LEU A 18 5.605 12.817 1.869 1.00 0.00 ATOM 133 CD1 LEU A 18 4.250 12.909 2.555 1.00 0.00 ATOM 134 CD2 LEU A 18 6.633 13.505 2.754 1.00 0.00 ATOM 135 O LEU A 18 6.625 8.769 0.684 1.00 0.00 ATOM 136 C LEU A 18 7.550 9.572 0.855 1.00 0.00 ATOM 137 N VAL A 19 8.813 9.167 1.036 1.00 0.00 ATOM 138 CA VAL A 19 9.222 7.734 0.996 1.00 0.00 ATOM 139 CB VAL A 19 10.656 7.571 0.460 1.00 0.00 ATOM 140 CG1 VAL A 19 11.070 6.108 0.480 1.00 0.00 ATOM 141 CG2 VAL A 19 10.751 8.078 -0.971 1.00 0.00 ATOM 142 O VAL A 19 9.985 7.478 3.303 1.00 0.00 ATOM 143 C VAL A 19 9.153 7.160 2.450 1.00 0.00 ATOM 144 N PHE A 20 8.146 6.319 2.723 1.00 0.00 ATOM 145 CA PHE A 20 8.044 5.556 3.993 1.00 0.00 ATOM 146 CB PHE A 20 6.607 5.578 4.518 1.00 0.00 ATOM 147 CG PHE A 20 6.438 4.910 5.852 1.00 0.00 ATOM 148 CD1 PHE A 20 6.711 5.593 7.024 1.00 0.00 ATOM 149 CD2 PHE A 20 6.007 3.597 5.935 1.00 0.00 ATOM 150 CE1 PHE A 20 6.555 4.978 8.252 1.00 0.00 ATOM 151 CE2 PHE A 20 5.852 2.982 7.163 1.00 0.00 ATOM 152 CZ PHE A 20 6.124 3.666 8.318 1.00 0.00 ATOM 153 O PHE A 20 7.657 3.252 3.304 1.00 0.00 ATOM 154 C PHE A 20 8.467 4.065 3.772 1.00 0.00 ATOM 155 N ASP A 21 9.710 3.706 4.135 1.00 0.00 ATOM 156 CA ASP A 21 10.191 2.299 4.089 1.00 0.00 ATOM 157 CB ASP A 21 11.718 2.257 3.996 1.00 0.00 ATOM 158 CG ASP A 21 12.256 0.845 3.878 1.00 0.00 ATOM 159 OD1 ASP A 21 11.458 -0.107 4.005 1.00 0.00 ATOM 160 OD2 ASP A 21 13.476 0.691 3.659 1.00 0.00 ATOM 161 O ASP A 21 10.445 1.485 6.403 1.00 0.00 ATOM 162 C ASP A 21 9.768 1.495 5.369 1.00 0.00 ATOM 163 N LYS A 22 8.672 0.737 5.239 1.00 0.00 ATOM 164 CA LYS A 22 8.269 -0.327 6.215 1.00 0.00 ATOM 165 CB LYS A 22 6.819 -0.751 5.976 1.00 0.00 ATOM 166 CG LYS A 22 6.587 -1.449 4.646 1.00 0.00 ATOM 167 CD LYS A 22 5.126 -1.831 4.470 1.00 0.00 ATOM 168 CE LYS A 22 4.896 -2.535 3.142 1.00 0.00 ATOM 169 NZ LYS A 22 3.470 -2.924 2.960 1.00 0.00 ATOM 170 O LYS A 22 8.649 -2.706 6.694 1.00 0.00 ATOM 171 C LYS A 22 9.100 -1.674 6.190 1.00 0.00 ATOM 172 N SER A 23 10.359 -1.652 5.717 1.00 0.00 ATOM 173 CA SER A 23 11.450 -2.521 6.254 1.00 0.00 ATOM 174 CB SER A 23 12.708 -2.395 5.393 1.00 0.00 ATOM 175 OG SER A 23 12.489 -2.912 4.091 1.00 0.00 ATOM 176 O SER A 23 12.100 -3.078 8.545 1.00 0.00 ATOM 177 C SER A 23 11.884 -2.178 7.731 1.00 0.00 ATOM 178 N LYS A 24 12.024 -0.877 8.054 1.00 0.00 ATOM 179 CA LYS A 24 12.246 -0.358 9.442 1.00 0.00 ATOM 180 CB LYS A 24 13.379 0.670 9.455 1.00 0.00 ATOM 181 CG LYS A 24 14.740 0.098 9.090 1.00 0.00 ATOM 182 CD LYS A 24 15.810 1.178 9.090 1.00 0.00 ATOM 183 CE LYS A 24 17.167 0.609 8.708 1.00 0.00 ATOM 184 NZ LYS A 24 18.202 1.673 8.594 1.00 0.00 ATOM 185 O LYS A 24 10.931 0.439 11.336 1.00 0.00 ATOM 186 C LYS A 24 11.002 0.363 10.106 1.00 0.00 ATOM 187 N ASP A 25 10.111 0.958 9.287 1.00 0.00 ATOM 188 CA ASP A 25 9.207 2.093 9.637 1.00 0.00 ATOM 189 CB ASP A 25 8.566 1.865 11.007 1.00 0.00 ATOM 190 CG ASP A 25 7.455 0.834 10.966 1.00 0.00 ATOM 191 OD1 ASP A 25 7.032 0.460 9.852 1.00 0.00 ATOM 192 OD2 ASP A 25 7.006 0.401 12.048 1.00 0.00 ATOM 193 O ASP A 25 10.228 4.027 10.765 1.00 0.00 ATOM 194 C ASP A 25 9.977 3.469 9.694 1.00 0.00 ATOM 195 N GLU A 26 10.353 3.993 8.509 1.00 0.00 ATOM 196 CA GLU A 26 11.291 5.147 8.352 1.00 0.00 ATOM 197 CB GLU A 26 12.669 4.660 7.899 1.00 0.00 ATOM 198 CG GLU A 26 13.692 5.770 7.721 1.00 0.00 ATOM 199 CD GLU A 26 15.077 5.240 7.404 1.00 0.00 ATOM 200 OE1 GLU A 26 15.255 4.004 7.407 1.00 0.00 ATOM 201 OE2 GLU A 26 15.984 6.062 7.154 1.00 0.00 ATOM 202 O GLU A 26 10.611 5.803 6.108 1.00 0.00 ATOM 203 C GLU A 26 10.748 6.157 7.283 1.00 0.00 ATOM 204 N LEU A 27 10.456 7.415 7.664 1.00 0.00 ATOM 205 CA LEU A 27 9.989 8.465 6.706 1.00 0.00 ATOM 206 CB LEU A 27 8.907 9.334 7.349 1.00 0.00 ATOM 207 CG LEU A 27 8.368 10.487 6.499 1.00 0.00 ATOM 208 CD1 LEU A 27 7.641 9.956 5.273 1.00 0.00 ATOM 209 CD2 LEU A 27 7.393 11.336 7.300 1.00 0.00 ATOM 210 O LEU A 27 11.738 10.148 7.052 1.00 0.00 ATOM 211 C LEU A 27 11.146 9.421 6.249 1.00 0.00 ATOM 212 N ILE A 28 11.425 9.468 4.939 1.00 0.00 ATOM 213 CA ILE A 28 12.392 10.434 4.334 1.00 0.00 ATOM 214 CB ILE A 28 13.682 9.729 3.876 1.00 0.00 ATOM 215 CG1 ILE A 28 14.375 9.059 5.064 1.00 0.00 ATOM 216 CG2 ILE A 28 14.646 10.730 3.258 1.00 0.00 ATOM 217 CD1 ILE A 28 15.555 8.196 4.676 1.00 0.00 ATOM 218 O ILE A 28 11.409 10.470 2.089 1.00 0.00 ATOM 219 C ILE A 28 11.732 11.120 3.090 1.00 0.00 ATOM 220 N CYS A 29 11.554 12.455 3.112 1.00 0.00 ATOM 221 CA CYS A 29 11.077 13.216 1.924 1.00 0.00 ATOM 222 CB CYS A 29 10.466 14.552 2.353 1.00 0.00 ATOM 223 SG CYS A 29 9.689 15.482 1.012 1.00 0.00 ATOM 224 O CYS A 29 12.847 14.597 0.956 1.00 0.00 ATOM 225 C CYS A 29 12.242 13.522 0.926 1.00 0.00 ATOM 226 N LYS A 30 12.598 12.554 0.064 1.00 0.00 ATOM 227 CA LYS A 30 13.881 12.596 -0.707 1.00 0.00 ATOM 228 CB LYS A 30 14.298 11.186 -1.131 1.00 0.00 ATOM 229 CG LYS A 30 14.660 10.271 0.027 1.00 0.00 ATOM 230 CD LYS A 30 15.057 8.889 -0.464 1.00 0.00 ATOM 231 CE LYS A 30 15.426 7.976 0.694 1.00 0.00 ATOM 232 NZ LYS A 30 15.780 6.606 0.230 1.00 0.00 ATOM 233 O LYS A 30 15.044 13.617 -2.576 1.00 0.00 ATOM 234 C LYS A 30 13.947 13.424 -2.044 1.00 0.00 ATOM 235 N GLY A 31 12.837 14.002 -2.541 1.00 0.00 ATOM 236 CA GLY A 31 12.895 15.156 -3.496 1.00 0.00 ATOM 237 O GLY A 31 14.447 17.000 -3.468 1.00 0.00 ATOM 238 C GLY A 31 13.466 16.483 -2.935 1.00 0.00 ATOM 239 N ASP A 32 12.903 16.981 -1.822 1.00 0.00 ATOM 240 CA ASP A 32 13.629 17.910 -0.895 1.00 0.00 ATOM 241 CB ASP A 32 12.769 18.224 0.331 1.00 0.00 ATOM 242 CG ASP A 32 11.612 19.149 0.010 1.00 0.00 ATOM 243 OD1 ASP A 32 11.608 19.734 -1.094 1.00 0.00 ATOM 244 OD2 ASP A 32 10.709 19.289 0.861 1.00 0.00 ATOM 245 O ASP A 32 15.913 18.193 -0.049 1.00 0.00 ATOM 246 C ASP A 32 15.007 17.398 -0.313 1.00 0.00 ATOM 247 N ARG A 33 15.115 16.085 -0.027 1.00 0.00 ATOM 248 CA ARG A 33 16.047 15.517 0.988 1.00 0.00 ATOM 249 CB ARG A 33 17.498 15.666 0.526 1.00 0.00 ATOM 250 CG ARG A 33 17.819 14.923 -0.761 1.00 0.00 ATOM 251 CD ARG A 33 19.295 15.031 -1.107 1.00 0.00 ATOM 252 NE ARG A 33 19.690 16.407 -1.398 1.00 0.00 ATOM 253 CZ ARG A 33 19.462 17.021 -2.555 1.00 0.00 ATOM 254 NH1 ARG A 33 19.857 18.274 -2.729 1.00 0.00 ATOM 255 NH2 ARG A 33 18.839 16.380 -3.534 1.00 0.00 ATOM 256 O ARG A 33 16.841 16.958 2.821 1.00 0.00 ATOM 257 C ARG A 33 15.969 16.191 2.407 1.00 0.00 ATOM 258 N LEU A 34 14.848 15.895 3.094 1.00 0.00 ATOM 259 CA LEU A 34 14.509 16.382 4.456 1.00 0.00 ATOM 260 CB LEU A 34 13.330 17.355 4.399 1.00 0.00 ATOM 261 CG LEU A 34 12.835 17.900 5.740 1.00 0.00 ATOM 262 CD1 LEU A 34 13.910 18.744 6.408 1.00 0.00 ATOM 263 CD2 LEU A 34 11.601 18.768 5.546 1.00 0.00 ATOM 264 O LEU A 34 13.191 14.395 5.001 1.00 0.00 ATOM 265 C LEU A 34 14.127 15.137 5.335 1.00 0.00 ATOM 266 N ALA A 35 14.864 14.875 6.428 1.00 0.00 ATOM 267 CA ALA A 35 14.673 13.649 7.249 1.00 0.00 ATOM 268 CB ALA A 35 15.970 13.271 7.948 1.00 0.00 ATOM 269 O ALA A 35 13.618 14.712 9.192 1.00 0.00 ATOM 270 C ALA A 35 13.590 13.789 8.367 1.00 0.00 ATOM 271 N PHE A 36 12.655 12.829 8.403 1.00 0.00 ATOM 272 CA PHE A 36 11.595 12.756 9.442 1.00 0.00 ATOM 273 CB PHE A 36 10.217 12.614 8.793 1.00 0.00 ATOM 274 CG PHE A 36 9.815 13.797 7.959 1.00 0.00 ATOM 275 CD1 PHE A 36 10.102 13.838 6.606 1.00 0.00 ATOM 276 CD2 PHE A 36 9.149 14.869 8.528 1.00 0.00 ATOM 277 CE1 PHE A 36 9.732 14.927 5.839 1.00 0.00 ATOM 278 CE2 PHE A 36 8.779 15.957 7.761 1.00 0.00 ATOM 279 CZ PHE A 36 9.068 15.989 6.422 1.00 0.00 ATOM 280 O PHE A 36 11.374 10.417 10.032 1.00 0.00 ATOM 281 C PHE A 36 11.870 11.504 10.361 1.00 0.00 ATOM 282 N PRO A 37 12.630 11.564 11.503 1.00 0.00 ATOM 283 CA PRO A 37 12.926 10.358 12.334 1.00 0.00 ATOM 284 CB PRO A 37 14.092 10.797 13.222 1.00 0.00 ATOM 285 CG PRO A 37 13.917 12.272 13.366 1.00 0.00 ATOM 286 CD PRO A 37 13.328 12.751 12.068 1.00 0.00 ATOM 287 O PRO A 37 11.565 10.257 14.384 1.00 0.00 ATOM 288 C PRO A 37 11.723 9.883 13.218 1.00 0.00 ATOM 289 N ILE A 38 10.865 9.056 12.612 1.00 0.00 ATOM 290 CA ILE A 38 9.534 8.681 13.179 1.00 0.00 ATOM 291 CB ILE A 38 8.398 8.943 12.173 1.00 0.00 ATOM 292 CG1 ILE A 38 8.607 8.113 10.904 1.00 0.00 ATOM 293 CG2 ILE A 38 8.357 10.413 11.786 1.00 0.00 ATOM 294 CD1 ILE A 38 7.437 8.158 9.946 1.00 0.00 ATOM 295 O ILE A 38 10.222 6.326 13.060 1.00 0.00 ATOM 296 C ILE A 38 9.468 7.163 13.565 1.00 0.00 ATOM 297 N LYS A 39 8.518 6.777 14.437 1.00 0.00 ATOM 298 CA LYS A 39 8.086 5.353 14.555 1.00 0.00 ATOM 299 CB LYS A 39 9.035 4.580 15.473 1.00 0.00 ATOM 300 CG LYS A 39 8.747 3.089 15.549 1.00 0.00 ATOM 301 CD LYS A 39 9.781 2.370 16.399 1.00 0.00 ATOM 302 CE LYS A 39 9.534 0.870 16.418 1.00 0.00 ATOM 303 NZ LYS A 39 10.536 0.152 17.253 1.00 0.00 ATOM 304 O LYS A 39 6.346 5.870 16.196 1.00 0.00 ATOM 305 C LYS A 39 6.639 5.277 15.152 1.00 0.00 ATOM 306 N ASP A 40 5.744 4.522 14.492 1.00 0.00 ATOM 307 CA ASP A 40 4.367 4.203 14.975 1.00 0.00 ATOM 308 CB ASP A 40 4.401 3.768 16.441 1.00 0.00 ATOM 309 CG ASP A 40 3.046 3.312 16.945 1.00 0.00 ATOM 310 OD1 ASP A 40 2.068 3.386 16.171 1.00 0.00 ATOM 311 OD2 ASP A 40 2.961 2.880 18.114 1.00 0.00 ATOM 312 O ASP A 40 2.370 5.288 14.137 1.00 0.00 ATOM 313 C ASP A 40 3.324 5.366 14.913 1.00 0.00 ATOM 314 N GLY A 41 3.487 6.420 15.718 1.00 0.00 ATOM 315 CA GLY A 41 2.715 7.687 15.555 1.00 0.00 ATOM 316 O GLY A 41 2.692 9.617 17.003 1.00 0.00 ATOM 317 C GLY A 41 3.351 8.927 16.223 1.00 0.00 ATOM 318 N ILE A 42 4.625 9.214 15.917 1.00 0.00 ATOM 319 CA ILE A 42 5.415 10.291 16.594 1.00 0.00 ATOM 320 CB ILE A 42 6.582 9.706 17.411 1.00 0.00 ATOM 321 CG1 ILE A 42 6.065 8.678 18.419 1.00 0.00 ATOM 322 CG2 ILE A 42 7.304 10.807 18.173 1.00 0.00 ATOM 323 CD1 ILE A 42 7.160 7.978 19.194 1.00 0.00 ATOM 324 O ILE A 42 7.047 10.913 14.932 1.00 0.00 ATOM 325 C ILE A 42 5.978 11.233 15.460 1.00 0.00 ATOM 326 N PRO A 43 5.336 12.370 15.043 1.00 0.00 ATOM 327 CA PRO A 43 5.807 13.171 13.872 1.00 0.00 ATOM 328 CB PRO A 43 4.550 13.901 13.393 1.00 0.00 ATOM 329 CG PRO A 43 3.715 14.050 14.620 1.00 0.00 ATOM 330 CD PRO A 43 3.983 12.831 15.458 1.00 0.00 ATOM 331 O PRO A 43 6.676 15.405 14.409 1.00 0.00 ATOM 332 C PRO A 43 6.937 14.220 14.175 1.00 0.00 ATOM 333 N MET A 44 8.201 13.775 14.129 1.00 0.00 ATOM 334 CA MET A 44 9.396 14.661 14.274 1.00 0.00 ATOM 335 CB MET A 44 10.452 13.995 15.158 1.00 0.00 ATOM 336 CG MET A 44 9.967 13.661 16.560 1.00 0.00 ATOM 337 SD MET A 44 9.538 15.128 17.516 1.00 0.00 ATOM 338 CE MET A 44 11.154 15.866 17.748 1.00 0.00 ATOM 339 O MET A 44 10.102 14.184 11.973 1.00 0.00 ATOM 340 C MET A 44 10.085 14.993 12.903 1.00 0.00 ATOM 341 N MET A 45 10.693 16.189 12.805 1.00 0.00 ATOM 342 CA MET A 45 11.572 16.586 11.661 1.00 0.00 ATOM 343 CB MET A 45 10.782 17.403 10.637 1.00 0.00 ATOM 344 CG MET A 45 11.583 17.797 9.406 1.00 0.00 ATOM 345 SD MET A 45 12.698 19.180 9.716 1.00 0.00 ATOM 346 CE MET A 45 11.537 20.542 9.784 1.00 0.00 ATOM 347 O MET A 45 12.552 18.396 12.976 1.00 0.00 ATOM 348 C MET A 45 12.761 17.453 12.202 1.00 0.00 ATOM 349 N LEU A 46 14.001 17.133 11.802 1.00 0.00 ATOM 350 CA LEU A 46 15.226 17.894 12.206 1.00 0.00 ATOM 351 CB LEU A 46 16.315 16.936 12.694 1.00 0.00 ATOM 352 CG LEU A 46 15.986 16.115 13.943 1.00 0.00 ATOM 353 CD1 LEU A 46 17.085 15.103 14.226 1.00 0.00 ATOM 354 CD2 LEU A 46 15.846 17.018 15.159 1.00 0.00 ATOM 355 O LEU A 46 15.448 19.889 10.850 1.00 0.00 ATOM 356 C LEU A 46 15.829 18.727 11.022 1.00 0.00 ATOM 357 N GLU A 47 16.756 18.172 10.222 1.00 0.00 ATOM 358 CA GLU A 47 17.262 18.821 8.976 1.00 0.00 ATOM 359 CB GLU A 47 18.621 19.477 9.228 1.00 0.00 ATOM 360 CG GLU A 47 18.569 20.676 10.161 1.00 0.00 ATOM 361 CD GLU A 47 19.938 21.272 10.421 1.00 0.00 ATOM 362 OE1 GLU A 47 20.933 20.725 9.901 1.00 0.00 ATOM 363 OE2 GLU A 47 20.016 22.287 11.145 1.00 0.00 ATOM 364 O GLU A 47 16.375 17.271 7.344 1.00 0.00 ATOM 365 C GLU A 47 17.401 17.700 7.883 1.00 0.00 ATOM 366 N SER A 48 18.598 17.144 7.594 1.00 0.00 ATOM 367 CA SER A 48 18.717 15.804 6.941 1.00 0.00 ATOM 368 CB SER A 48 18.479 15.919 5.434 1.00 0.00 ATOM 369 OG SER A 48 18.649 14.667 4.793 1.00 0.00 ATOM 370 O SER A 48 21.142 15.640 6.678 1.00 0.00 ATOM 371 C SER A 48 20.108 15.119 7.112 1.00 0.00 ATOM 372 N GLU A 49 20.080 13.861 7.568 1.00 0.00 ATOM 373 CA GLU A 49 21.219 12.910 7.451 1.00 0.00 ATOM 374 CB GLU A 49 21.071 11.770 8.461 1.00 0.00 ATOM 375 CG GLU A 49 21.227 12.201 9.910 1.00 0.00 ATOM 376 CD GLU A 49 21.053 11.050 10.882 1.00 0.00 ATOM 377 OE1 GLU A 49 20.810 9.915 10.421 1.00 0.00 ATOM 378 OE2 GLU A 49 21.160 11.283 12.104 1.00 0.00 ATOM 379 O GLU A 49 22.381 12.309 5.388 1.00 0.00 ATOM 380 C GLU A 49 21.322 12.258 6.022 1.00 0.00 ATOM 381 N ALA A 50 20.229 11.663 5.496 1.00 0.00 ATOM 382 CA ALA A 50 20.221 10.986 4.172 1.00 0.00 ATOM 383 CB ALA A 50 19.063 10.003 4.086 1.00 0.00 ATOM 384 O ALA A 50 19.015 12.040 2.303 1.00 0.00 ATOM 385 C ALA A 50 20.071 11.950 2.940 1.00 0.00 ATOM 386 N ARG A 51 21.163 12.654 2.592 1.00 0.00 ATOM 387 CA ARG A 51 21.226 13.516 1.375 1.00 0.00 ATOM 388 CB ARG A 51 21.962 14.822 1.681 1.00 0.00 ATOM 389 CG ARG A 51 21.890 15.851 0.565 1.00 0.00 ATOM 390 CD ARG A 51 22.612 17.133 0.948 1.00 0.00 ATOM 391 NE ARG A 51 24.048 16.923 1.115 1.00 0.00 ATOM 392 CZ ARG A 51 24.878 17.822 1.635 1.00 0.00 ATOM 393 NH1 ARG A 51 26.170 17.543 1.748 1.00 0.00 ATOM 394 NH2 ARG A 51 24.415 18.996 2.041 1.00 0.00 ATOM 395 O ARG A 51 21.350 12.677 -0.891 1.00 0.00 ATOM 396 C ARG A 51 21.968 12.860 0.165 1.00 0.00 ATOM 397 N GLU A 52 23.266 12.533 0.280 1.00 0.00 ATOM 398 CA GLU A 52 24.114 12.223 -0.909 1.00 0.00 ATOM 399 CB GLU A 52 25.583 12.537 -0.616 1.00 0.00 ATOM 400 CG GLU A 52 25.850 13.994 -0.277 1.00 0.00 ATOM 401 CD GLU A 52 27.295 14.247 0.106 1.00 0.00 ATOM 402 OE1 GLU A 52 28.073 13.272 0.168 1.00 0.00 ATOM 403 OE2 GLU A 52 27.650 15.421 0.343 1.00 0.00 ATOM 404 O GLU A 52 24.861 9.868 -0.973 1.00 0.00 ATOM 405 C GLU A 52 24.026 10.709 -1.322 1.00 0.00 ATOM 406 N LEU A 53 22.952 10.378 -2.053 1.00 0.00 ATOM 407 CA LEU A 53 22.543 8.975 -2.343 1.00 0.00 ATOM 408 CB LEU A 53 21.021 8.834 -2.268 1.00 0.00 ATOM 409 CG LEU A 53 20.367 9.242 -0.946 1.00 0.00 ATOM 410 CD1 LEU A 53 18.854 9.122 -1.035 1.00 0.00 ATOM 411 CD2 LEU A 53 20.849 8.353 0.190 1.00 0.00 ATOM 412 O LEU A 53 23.318 9.273 -4.662 1.00 0.00 ATOM 413 C LEU A 53 22.980 8.487 -3.770 1.00 0.00 ATOM 414 N ALA A 54 22.942 7.162 -4.001 1.00 0.00 ATOM 415 CA ALA A 54 23.138 6.578 -5.355 1.00 0.00 ATOM 416 CB ALA A 54 23.476 5.099 -5.251 1.00 0.00 ATOM 417 O ALA A 54 20.838 6.102 -5.900 1.00 0.00 ATOM 418 C ALA A 54 21.854 6.703 -6.267 1.00 0.00 ATOM 419 N PRO A 55 21.827 7.431 -7.432 1.00 0.00 ATOM 420 CA PRO A 55 20.573 7.671 -8.217 1.00 0.00 ATOM 421 CB PRO A 55 21.067 8.306 -9.519 1.00 0.00 ATOM 422 CG PRO A 55 22.319 9.021 -9.134 1.00 0.00 ATOM 423 CD PRO A 55 23.020 8.132 -8.145 1.00 0.00 ATOM 424 O PRO A 55 18.414 6.610 -8.472 1.00 0.00 ATOM 425 C PRO A 55 19.633 6.487 -8.616 1.00 0.00 ATOM 426 N GLU A 56 20.176 5.351 -9.086 1.00 0.00 ATOM 427 CA GLU A 56 19.374 4.108 -9.304 1.00 0.00 ATOM 428 CB GLU A 56 20.234 3.022 -9.953 1.00 0.00 ATOM 429 CG GLU A 56 19.486 1.734 -10.254 1.00 0.00 ATOM 430 CD GLU A 56 20.361 0.695 -10.927 1.00 0.00 ATOM 431 OE1 GLU A 56 21.550 0.988 -11.170 1.00 0.00 ATOM 432 OE2 GLU A 56 19.857 -0.412 -11.211 1.00 0.00 ATOM 433 O GLU A 56 17.591 3.107 -7.979 1.00 0.00 ATOM 434 C GLU A 56 18.773 3.463 -7.996 1.00 0.00 ATOM 435 N GLU A 57 19.561 3.330 -6.911 1.00 0.00 ATOM 436 CA GLU A 57 19.086 2.805 -5.594 1.00 0.00 ATOM 437 CB GLU A 57 20.253 2.686 -4.612 1.00 0.00 ATOM 438 CG GLU A 57 21.234 1.574 -4.945 1.00 0.00 ATOM 439 CD GLU A 57 22.439 1.564 -4.025 1.00 0.00 ATOM 440 OE1 GLU A 57 22.544 2.473 -3.175 1.00 0.00 ATOM 441 OE2 GLU A 57 23.278 0.649 -4.155 1.00 0.00 ATOM 442 O GLU A 57 17.007 3.125 -4.375 1.00 0.00 ATOM 443 C GLU A 57 18.003 3.675 -4.859 1.00 0.00 ATOM 444 N GLU A 58 18.141 5.017 -4.801 1.00 0.00 ATOM 445 CA GLU A 58 17.026 5.915 -4.377 1.00 0.00 ATOM 446 CB GLU A 58 17.479 7.376 -4.395 1.00 0.00 ATOM 447 CG GLU A 58 16.423 8.359 -3.916 1.00 0.00 ATOM 448 CD GLU A 58 16.925 9.789 -3.893 1.00 0.00 ATOM 449 OE1 GLU A 58 18.107 10.009 -4.234 1.00 0.00 ATOM 450 OE2 GLU A 58 16.138 10.690 -3.534 1.00 0.00 ATOM 451 O GLU A 58 14.625 5.965 -4.699 1.00 0.00 ATOM 452 C GLU A 58 15.720 5.875 -5.255 1.00 0.00 ATOM 453 N VAL A 59 15.792 5.715 -6.589 1.00 0.00 ATOM 454 CA VAL A 59 14.602 5.375 -7.450 1.00 0.00 ATOM 455 CB VAL A 59 14.970 5.372 -8.945 1.00 0.00 ATOM 456 CG1 VAL A 59 13.815 4.836 -9.777 1.00 0.00 ATOM 457 CG2 VAL A 59 15.288 6.783 -9.418 1.00 0.00 ATOM 458 O VAL A 59 12.737 3.823 -7.218 1.00 0.00 ATOM 459 C VAL A 59 13.963 3.955 -7.166 1.00 0.00 ATOM 460 N LYS A 60 14.744 2.910 -6.830 1.00 0.00 ATOM 461 CA LYS A 60 14.211 1.642 -6.229 1.00 0.00 ATOM 462 CB LYS A 60 15.353 0.666 -5.937 1.00 0.00 ATOM 463 CG LYS A 60 14.899 -0.666 -5.363 1.00 0.00 ATOM 464 CD LYS A 60 16.073 -1.610 -5.164 1.00 0.00 ATOM 465 CE LYS A 60 15.626 -2.924 -4.544 1.00 0.00 ATOM 466 NZ LYS A 60 16.771 -3.851 -4.322 1.00 0.00 ATOM 467 O LYS A 60 12.329 1.297 -4.725 1.00 0.00 ATOM 468 C LYS A 60 13.436 1.824 -4.870 1.00 0.00 ATOM 469 N LEU A 61 13.973 2.600 -3.909 1.00 0.00 ATOM 470 CA LEU A 61 13.206 3.073 -2.715 1.00 0.00 ATOM 471 CB LEU A 61 14.111 3.879 -1.782 1.00 0.00 ATOM 472 CG LEU A 61 15.209 3.096 -1.059 1.00 0.00 ATOM 473 CD1 LEU A 61 16.132 4.038 -0.301 1.00 0.00 ATOM 474 CD2 LEU A 61 14.605 2.119 -0.062 1.00 0.00 ATOM 475 O LEU A 61 10.979 3.910 -2.253 1.00 0.00 ATOM 476 C LEU A 61 11.965 4.007 -2.986 1.00 0.00 ATOM 477 N GLU A 62 11.976 4.868 -4.023 1.00 0.00 ATOM 478 CA GLU A 62 10.831 5.765 -4.398 1.00 0.00 ATOM 479 CB GLU A 62 11.170 6.570 -5.654 1.00 0.00 ATOM 480 CG GLU A 62 12.236 7.633 -5.441 1.00 0.00 ATOM 481 CD GLU A 62 12.598 8.360 -6.721 1.00 0.00 ATOM 482 OE1 GLU A 62 12.073 7.980 -7.789 1.00 0.00 ATOM 483 OE2 GLU A 62 13.406 9.310 -6.657 1.00 0.00 ATOM 484 O GLU A 62 8.418 5.835 -4.759 1.00 0.00 ATOM 485 C GLU A 62 9.427 5.129 -4.731 1.00 0.00 ATOM 486 N HIS A 63 9.333 3.804 -4.902 1.00 0.00 ATOM 487 CA HIS A 63 8.044 3.050 -4.823 1.00 0.00 ATOM 488 CB HIS A 63 8.259 1.581 -5.195 1.00 0.00 ATOM 489 CG HIS A 63 8.563 1.364 -6.644 1.00 0.00 ATOM 490 CD2 HIS A 63 9.704 0.870 -7.403 1.00 0.00 ATOM 491 ND1 HIS A 63 7.659 1.645 -7.646 1.00 0.00 ATOM 492 CE1 HIS A 63 8.215 1.348 -8.834 1.00 0.00 ATOM 493 NE2 HIS A 63 9.441 0.883 -8.696 1.00 0.00 ATOM 494 O HIS A 63 6.107 2.903 -3.353 1.00 0.00 ATOM 495 C HIS A 63 7.334 3.025 -3.412 1.00 0.00 ATOM 496 N HIS A 64 8.066 3.133 -2.286 1.00 0.00 ATOM 497 CA HIS A 64 7.515 3.005 -0.908 1.00 0.00 ATOM 498 CB HIS A 64 8.647 2.856 0.110 1.00 0.00 ATOM 499 CG HIS A 64 9.489 1.635 -0.098 1.00 0.00 ATOM 500 CD2 HIS A 64 10.893 1.379 -0.386 1.00 0.00 ATOM 501 ND1 HIS A 64 8.976 0.358 -0.036 1.00 0.00 ATOM 502 CE1 HIS A 64 9.967 -0.523 -0.263 1.00 0.00 ATOM 503 NE2 HIS A 64 11.120 0.083 -0.473 1.00 0.00 ATOM 504 O HIS A 64 7.071 5.019 0.427 1.00 0.00 ATOM 505 C HIS A 64 6.647 4.218 -0.403 1.00 0.00 ATOM 506 N HIS A 65 5.380 4.292 -0.826 1.00 0.00 ATOM 507 CA HIS A 65 4.443 5.391 -0.423 1.00 0.00 ATOM 508 CB HIS A 65 3.778 6.007 -1.656 1.00 0.00 ATOM 509 CG HIS A 65 4.742 6.651 -2.603 1.00 0.00 ATOM 510 CD2 HIS A 65 5.260 6.341 -3.928 1.00 0.00 ATOM 511 ND1 HIS A 65 5.392 7.832 -2.316 1.00 0.00 ATOM 512 CE1 HIS A 65 6.186 8.158 -3.351 1.00 0.00 ATOM 513 NE2 HIS A 65 6.112 7.268 -4.322 1.00 0.00 ATOM 514 O HIS A 65 3.197 3.730 0.911 1.00 0.00 ATOM 515 C HIS A 65 3.290 4.902 0.526 1.00 0.00 ATOM 516 N HIS A 66 2.371 5.812 0.889 1.00 0.00 ATOM 517 CA HIS A 66 0.961 5.454 1.252 1.00 0.00 ATOM 518 CB HIS A 66 0.124 6.718 1.461 1.00 0.00 ATOM 519 CG HIS A 66 -1.311 6.445 1.789 1.00 0.00 ATOM 520 CD2 HIS A 66 -2.573 6.519 1.066 1.00 0.00 ATOM 521 ND1 HIS A 66 -1.722 6.009 3.030 1.00 0.00 ATOM 522 CE1 HIS A 66 -3.057 5.853 3.019 1.00 0.00 ATOM 523 NE2 HIS A 66 -3.575 6.157 1.844 1.00 0.00 ATOM 524 O HIS A 66 -0.522 3.635 0.582 1.00 0.00 ATOM 525 C HIS A 66 0.152 4.596 0.205 1.00 0.00 ATOM 526 N HIS A 67 0.269 4.895 -1.100 1.00 0.00 ATOM 527 CA HIS A 67 -0.205 4.011 -2.209 1.00 0.00 ATOM 528 CB HIS A 67 -0.368 4.814 -3.501 1.00 0.00 ATOM 529 CG HIS A 67 -1.386 5.907 -3.409 1.00 0.00 ATOM 530 CD2 HIS A 67 -1.352 7.363 -3.432 1.00 0.00 ATOM 531 ND1 HIS A 67 -2.734 5.660 -3.263 1.00 0.00 ATOM 532 CE1 HIS A 67 -3.391 6.832 -3.209 1.00 0.00 ATOM 533 NE2 HIS A 67 -2.568 7.858 -3.310 1.00 0.00 ATOM 534 O HIS A 67 1.049 2.573 -3.755 1.00 0.00 ATOM 535 C HIS A 67 0.740 2.800 -2.579 1.00 0.00 ATOM 536 N HIS A 68 1.151 1.995 -1.576 1.00 0.00 ATOM 537 CA HIS A 68 2.075 0.851 -1.768 1.00 0.00 ATOM 538 CB HIS A 68 3.520 1.279 -1.505 1.00 0.00 ATOM 539 CG HIS A 68 4.531 0.224 -1.829 1.00 0.00 ATOM 540 CD2 HIS A 68 5.584 -0.464 -1.096 1.00 0.00 ATOM 541 ND1 HIS A 68 4.635 -0.350 -3.077 1.00 0.00 ATOM 542 CE1 HIS A 68 5.627 -1.258 -3.061 1.00 0.00 ATOM 543 NE2 HIS A 68 6.201 -1.331 -1.875 1.00 0.00 ATOM 544 O HIS A 68 1.166 -1.312 -1.113 1.00 0.00 ATOM 545 C HIS A 68 1.648 -0.233 -0.767 1.00 0.00 ENDMDL