USER MOD reduce.3.24.130724 H: found=0, std=0, add=312, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 315 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 280 SER OG : rot 180:sc= -0.242 USER MOD Set 1.2: A 281 MET CE :methyl 131:sc= -11.4! (180deg=-17.5!) USER MOD Single : A 263 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 264 THR OG1 : rot 180:sc= 0.0215 USER MOD Single : A 266 SER OG : rot 180:sc= 0.11 USER MOD Single : A 267 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 268 GLN : amide:sc= -0.512 K(o=-0.51,f=-3!) USER MOD Single : A 273 THR OG1 : rot 180:sc= -0.57 USER MOD Single : A 279 SER OG : rot 180:sc= 0 USER MOD Single : A 282 THR OG1 : rot 180:sc= -0.431 USER MOD Single : A 286 GLN : amide:sc= -1.85 K(o=-1.8,f=-0.35) USER MOD Single : A 289 TYR OH : rot -15:sc= -6.05! USER MOD Single : A 291 MET CE :methyl 173:sc= -9.22! (180deg=-9.25!) USER MOD Single : A 292 GLN : amide:sc= -0.914 K(o=-0.91,f=-2.5!) USER MOD Single : A 293 MET CE :methyl -172:sc= 0 (180deg=-0.0637) USER MOD Single : A 294 SER OG : rot 180:sc= 0 USER MOD Single : A 296 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 302 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 305 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 263 13.793 13.349 -1.348 1.00 0.00 N ATOM 2 CA MET A 263 14.491 12.929 -2.592 1.00 0.00 C ATOM 3 C MET A 263 15.745 12.121 -2.272 1.00 0.00 C ATOM 4 O MET A 263 16.760 12.675 -1.848 1.00 0.00 O ATOM 5 CB MET A 263 14.859 14.181 -3.392 1.00 0.00 C ATOM 6 CG MET A 263 13.926 14.452 -4.560 1.00 0.00 C ATOM 7 SD MET A 263 14.017 13.176 -5.831 1.00 0.00 S ATOM 8 CE MET A 263 14.806 14.079 -7.161 1.00 0.00 C ATOM 0 HA MET A 263 13.828 12.291 -3.177 1.00 0.00 H new ATOM 0 HB2 MET A 263 14.853 15.043 -2.725 1.00 0.00 H new ATOM 0 HB3 MET A 263 15.877 14.076 -3.768 1.00 0.00 H new ATOM 0 HG2 MET A 263 12.902 14.522 -4.193 1.00 0.00 H new ATOM 0 HG3 MET A 263 14.173 15.417 -5.001 1.00 0.00 H new ATOM 0 HE1 MET A 263 14.932 13.422 -8.022 1.00 0.00 H new ATOM 0 HE2 MET A 263 14.185 14.930 -7.441 1.00 0.00 H new ATOM 0 HE3 MET A 263 15.782 14.435 -6.830 1.00 0.00 H new ATOM 20 N THR A 264 15.668 10.810 -2.477 1.00 0.00 N ATOM 21 CA THR A 264 16.800 9.929 -2.209 1.00 0.00 C ATOM 22 C THR A 264 17.470 9.491 -3.507 1.00 0.00 C ATOM 23 O THR A 264 17.171 10.017 -4.579 1.00 0.00 O ATOM 24 CB THR A 264 16.340 8.705 -1.415 1.00 0.00 C ATOM 25 OG1 THR A 264 14.931 8.574 -1.467 1.00 0.00 O ATOM 26 CG2 THR A 264 16.743 8.751 0.044 1.00 0.00 C ATOM 0 H THR A 264 14.836 10.335 -2.827 1.00 0.00 H new ATOM 0 HA THR A 264 17.530 10.483 -1.618 1.00 0.00 H new ATOM 0 HB THR A 264 16.834 7.854 -1.885 1.00 0.00 H new ATOM 0 HG1 THR A 264 14.657 7.785 -0.955 1.00 0.00 H new ATOM 0 HG21 THR A 264 16.386 7.853 0.549 1.00 0.00 H new ATOM 0 HG22 THR A 264 17.829 8.802 0.120 1.00 0.00 H new ATOM 0 HG23 THR A 264 16.305 9.631 0.515 1.00 0.00 H new ATOM 34 N ILE A 265 18.380 8.526 -3.405 1.00 0.00 N ATOM 35 CA ILE A 265 19.094 8.021 -4.574 1.00 0.00 C ATOM 36 C ILE A 265 19.543 6.578 -4.371 1.00 0.00 C ATOM 37 O ILE A 265 20.658 6.323 -3.917 1.00 0.00 O ATOM 38 CB ILE A 265 20.327 8.887 -4.896 1.00 0.00 C ATOM 39 CG1 ILE A 265 20.868 9.537 -3.622 1.00 0.00 C ATOM 40 CG2 ILE A 265 19.979 9.945 -5.931 1.00 0.00 C ATOM 41 CD1 ILE A 265 22.050 10.451 -3.864 1.00 0.00 C ATOM 0 H ILE A 265 18.640 8.079 -2.526 1.00 0.00 H new ATOM 0 HA ILE A 265 18.396 8.065 -5.410 1.00 0.00 H new ATOM 0 HB ILE A 265 21.103 8.245 -5.311 1.00 0.00 H new ATOM 0 HG12 ILE A 265 20.069 10.107 -3.148 1.00 0.00 H new ATOM 0 HG13 ILE A 265 21.161 8.755 -2.921 1.00 0.00 H new ATOM 0 HG21 ILE A 265 20.861 10.547 -6.146 1.00 0.00 H new ATOM 0 HG22 ILE A 265 19.638 9.461 -6.846 1.00 0.00 H new ATOM 0 HG23 ILE A 265 19.188 10.587 -5.544 1.00 0.00 H new ATOM 0 HD11 ILE A 265 22.381 10.877 -2.917 1.00 0.00 H new ATOM 0 HD12 ILE A 265 22.865 9.881 -4.310 1.00 0.00 H new ATOM 0 HD13 ILE A 265 21.756 11.254 -4.540 1.00 0.00 H new ATOM 53 N SER A 266 18.668 5.637 -4.712 1.00 0.00 N ATOM 54 CA SER A 266 18.979 4.219 -4.569 1.00 0.00 C ATOM 55 C SER A 266 20.191 3.837 -5.413 1.00 0.00 C ATOM 56 O SER A 266 21.300 3.701 -4.896 1.00 0.00 O ATOM 57 CB SER A 266 17.773 3.367 -4.971 1.00 0.00 C ATOM 58 OG SER A 266 16.852 4.120 -5.743 1.00 0.00 O ATOM 0 H SER A 266 17.740 5.830 -5.089 1.00 0.00 H new ATOM 0 HA SER A 266 19.216 4.030 -3.522 1.00 0.00 H new ATOM 0 HB2 SER A 266 18.109 2.502 -5.542 1.00 0.00 H new ATOM 0 HB3 SER A 266 17.278 2.987 -4.077 1.00 0.00 H new ATOM 0 HG SER A 266 16.091 3.553 -5.989 1.00 0.00 H new ATOM 64 N GLN A 267 19.972 3.665 -6.712 1.00 0.00 N ATOM 65 CA GLN A 267 21.048 3.297 -7.628 1.00 0.00 C ATOM 66 C GLN A 267 21.973 2.264 -6.994 1.00 0.00 C ATOM 67 O GLN A 267 23.160 2.199 -7.312 1.00 0.00 O ATOM 68 CB GLN A 267 21.850 4.537 -8.034 1.00 0.00 C ATOM 69 CG GLN A 267 21.964 4.721 -9.539 1.00 0.00 C ATOM 70 CD GLN A 267 23.347 5.170 -9.969 1.00 0.00 C ATOM 71 OE1 GLN A 267 23.587 6.357 -10.188 1.00 0.00 O ATOM 72 NE2 GLN A 267 24.266 4.219 -10.096 1.00 0.00 N ATOM 0 H GLN A 267 19.060 3.774 -7.155 1.00 0.00 H new ATOM 0 HA GLN A 267 20.598 2.858 -8.518 1.00 0.00 H new ATOM 0 HB2 GLN A 267 21.380 5.421 -7.603 1.00 0.00 H new ATOM 0 HB3 GLN A 267 22.851 4.468 -7.608 1.00 0.00 H new ATOM 0 HG2 GLN A 267 21.720 3.782 -10.036 1.00 0.00 H new ATOM 0 HG3 GLN A 267 21.229 5.456 -9.868 1.00 0.00 H new ATOM 0 HE21 GLN A 267 24.024 3.247 -9.904 1.00 0.00 H new ATOM 0 HE22 GLN A 267 25.214 4.461 -10.385 1.00 0.00 H new ATOM 81 N GLN A 268 21.421 1.458 -6.094 1.00 0.00 N ATOM 82 CA GLN A 268 22.195 0.426 -5.414 1.00 0.00 C ATOM 83 C GLN A 268 22.198 -0.872 -6.216 1.00 0.00 C ATOM 84 O GLN A 268 22.980 -1.780 -5.942 1.00 0.00 O ATOM 85 CB GLN A 268 21.626 0.174 -4.016 1.00 0.00 C ATOM 86 CG GLN A 268 20.131 -0.095 -4.009 1.00 0.00 C ATOM 87 CD GLN A 268 19.380 0.805 -3.047 1.00 0.00 C ATOM 88 OE1 GLN A 268 19.874 1.860 -2.652 1.00 0.00 O ATOM 89 NE2 GLN A 268 18.176 0.391 -2.666 1.00 0.00 N ATOM 0 H GLN A 268 20.440 1.499 -5.818 1.00 0.00 H new ATOM 0 HA GLN A 268 23.223 0.777 -5.325 1.00 0.00 H new ATOM 0 HB2 GLN A 268 22.142 -0.676 -3.570 1.00 0.00 H new ATOM 0 HB3 GLN A 268 21.834 1.039 -3.386 1.00 0.00 H new ATOM 0 HG2 GLN A 268 19.736 0.045 -5.015 1.00 0.00 H new ATOM 0 HG3 GLN A 268 19.954 -1.136 -3.739 1.00 0.00 H new ATOM 0 HE21 GLN A 268 17.805 -0.491 -3.019 1.00 0.00 H new ATOM 0 HE22 GLN A 268 17.623 0.956 -2.021 1.00 0.00 H new ATOM 98 N GLU A 269 21.316 -0.950 -7.208 1.00 0.00 N ATOM 99 CA GLU A 269 21.216 -2.138 -8.049 1.00 0.00 C ATOM 100 C GLU A 269 20.991 -3.384 -7.198 1.00 0.00 C ATOM 101 O GLU A 269 19.853 -3.748 -6.901 1.00 0.00 O ATOM 102 CB GLU A 269 22.482 -2.300 -8.892 1.00 0.00 C ATOM 103 CG GLU A 269 22.529 -1.383 -10.103 1.00 0.00 C ATOM 104 CD GLU A 269 23.597 -1.788 -11.100 1.00 0.00 C ATOM 105 OE1 GLU A 269 23.533 -2.926 -11.608 1.00 0.00 O ATOM 106 OE2 GLU A 269 24.498 -0.966 -11.372 1.00 0.00 O ATOM 0 H GLU A 269 20.661 -0.206 -7.449 1.00 0.00 H new ATOM 0 HA GLU A 269 20.362 -2.014 -8.714 1.00 0.00 H new ATOM 0 HB2 GLU A 269 23.353 -2.106 -8.266 1.00 0.00 H new ATOM 0 HB3 GLU A 269 22.555 -3.335 -9.227 1.00 0.00 H new ATOM 0 HG2 GLU A 269 21.557 -1.388 -10.596 1.00 0.00 H new ATOM 0 HG3 GLU A 269 22.714 -0.361 -9.773 1.00 0.00 H new ATOM 113 N PHE A 270 22.084 -4.029 -6.803 1.00 0.00 N ATOM 114 CA PHE A 270 22.008 -5.231 -5.979 1.00 0.00 C ATOM 115 C PHE A 270 23.374 -5.573 -5.396 1.00 0.00 C ATOM 116 O PHE A 270 23.792 -6.731 -5.400 1.00 0.00 O ATOM 117 CB PHE A 270 21.476 -6.409 -6.796 1.00 0.00 C ATOM 118 CG PHE A 270 22.062 -6.504 -8.176 1.00 0.00 C ATOM 119 CD1 PHE A 270 23.432 -6.423 -8.369 1.00 0.00 C ATOM 120 CD2 PHE A 270 21.243 -6.678 -9.279 1.00 0.00 C ATOM 121 CE1 PHE A 270 23.973 -6.512 -9.639 1.00 0.00 C ATOM 122 CE2 PHE A 270 21.777 -6.768 -10.551 1.00 0.00 C ATOM 123 CZ PHE A 270 23.144 -6.685 -10.730 1.00 0.00 C ATOM 0 H PHE A 270 23.033 -3.740 -7.040 1.00 0.00 H new ATOM 0 HA PHE A 270 21.319 -5.035 -5.157 1.00 0.00 H new ATOM 0 HB2 PHE A 270 21.683 -7.335 -6.259 1.00 0.00 H new ATOM 0 HB3 PHE A 270 20.392 -6.323 -6.877 1.00 0.00 H new ATOM 0 HD1 PHE A 270 24.084 -6.289 -7.519 1.00 0.00 H new ATOM 0 HD2 PHE A 270 20.174 -6.744 -9.144 1.00 0.00 H new ATOM 0 HE1 PHE A 270 25.042 -6.446 -9.777 1.00 0.00 H new ATOM 0 HE2 PHE A 270 21.127 -6.903 -11.403 1.00 0.00 H new ATOM 0 HZ PHE A 270 23.564 -6.755 -11.722 1.00 0.00 H new ATOM 133 N GLY A 271 24.064 -4.554 -4.898 1.00 0.00 N ATOM 134 CA GLY A 271 25.376 -4.756 -4.320 1.00 0.00 C ATOM 135 C GLY A 271 26.474 -4.683 -5.359 1.00 0.00 C ATOM 136 O GLY A 271 26.959 -5.710 -5.834 1.00 0.00 O ATOM 0 H GLY A 271 23.735 -3.588 -4.885 1.00 0.00 H new ATOM 0 HA2 GLY A 271 25.553 -4.003 -3.553 1.00 0.00 H new ATOM 0 HA3 GLY A 271 25.409 -5.727 -3.827 1.00 0.00 H new ATOM 140 N ARG A 272 26.868 -3.464 -5.711 1.00 0.00 N ATOM 141 CA ARG A 272 27.917 -3.257 -6.701 1.00 0.00 C ATOM 142 C ARG A 272 29.295 -3.526 -6.105 1.00 0.00 C ATOM 143 O ARG A 272 30.313 -3.343 -6.772 1.00 0.00 O ATOM 144 CB ARG A 272 27.853 -1.833 -7.251 1.00 0.00 C ATOM 145 CG ARG A 272 28.789 -1.592 -8.425 1.00 0.00 C ATOM 146 CD ARG A 272 28.026 -1.153 -9.664 1.00 0.00 C ATOM 147 NE ARG A 272 28.784 -0.194 -10.462 1.00 0.00 N ATOM 148 CZ ARG A 272 29.681 -0.545 -11.379 1.00 0.00 C ATOM 149 NH1 ARG A 272 29.936 -1.828 -11.603 1.00 0.00 N ATOM 150 NH2 ARG A 272 30.323 0.384 -12.072 1.00 0.00 N ATOM 0 H ARG A 272 26.476 -2.605 -5.325 1.00 0.00 H new ATOM 0 HA ARG A 272 27.754 -3.962 -7.517 1.00 0.00 H new ATOM 0 HB2 ARG A 272 26.831 -1.618 -7.562 1.00 0.00 H new ATOM 0 HB3 ARG A 272 28.097 -1.133 -6.452 1.00 0.00 H new ATOM 0 HG2 ARG A 272 29.521 -0.830 -8.158 1.00 0.00 H new ATOM 0 HG3 ARG A 272 29.344 -2.504 -8.642 1.00 0.00 H new ATOM 0 HD2 ARG A 272 27.791 -2.026 -10.273 1.00 0.00 H new ATOM 0 HD3 ARG A 272 27.077 -0.707 -9.366 1.00 0.00 H new ATOM 0 HE ARG A 272 28.616 0.800 -10.308 1.00 0.00 H new ATOM 0 HH11 ARG A 272 29.444 -2.546 -11.072 1.00 0.00 H new ATOM 0 HH12 ARG A 272 30.624 -2.096 -12.307 1.00 0.00 H new ATOM 0 HH21 ARG A 272 30.130 1.371 -11.903 1.00 0.00 H new ATOM 0 HH22 ARG A 272 31.010 0.112 -12.775 1.00 0.00 H new ATOM 164 N THR A 273 29.320 -3.960 -4.848 1.00 0.00 N ATOM 165 CA THR A 273 30.576 -4.252 -4.166 1.00 0.00 C ATOM 166 C THR A 273 31.158 -2.988 -3.544 1.00 0.00 C ATOM 167 O THR A 273 31.470 -2.957 -2.354 1.00 0.00 O ATOM 168 CB THR A 273 31.582 -4.866 -5.141 1.00 0.00 C ATOM 169 OG1 THR A 273 30.941 -5.779 -6.014 1.00 0.00 O ATOM 170 CG2 THR A 273 32.712 -5.601 -4.454 1.00 0.00 C ATOM 0 H THR A 273 28.486 -4.117 -4.282 1.00 0.00 H new ATOM 0 HA THR A 273 30.372 -4.969 -3.371 1.00 0.00 H new ATOM 0 HB THR A 273 32.002 -4.023 -5.690 1.00 0.00 H new ATOM 0 HG1 THR A 273 31.600 -6.160 -6.631 1.00 0.00 H new ATOM 0 HG21 THR A 273 33.388 -6.011 -5.204 1.00 0.00 H new ATOM 0 HG22 THR A 273 33.258 -4.910 -3.812 1.00 0.00 H new ATOM 0 HG23 THR A 273 32.305 -6.412 -3.850 1.00 0.00 H new ATOM 178 N GLY A 274 31.296 -1.946 -4.356 1.00 0.00 N ATOM 179 CA GLY A 274 31.835 -0.694 -3.867 1.00 0.00 C ATOM 180 C GLY A 274 30.750 0.303 -3.513 1.00 0.00 C ATOM 181 O GLY A 274 31.042 1.430 -3.110 1.00 0.00 O ATOM 0 H GLY A 274 31.044 -1.947 -5.344 1.00 0.00 H new ATOM 0 HA2 GLY A 274 32.450 -0.885 -2.988 1.00 0.00 H new ATOM 0 HA3 GLY A 274 32.488 -0.262 -4.625 1.00 0.00 H new ATOM 185 N LEU A 275 29.494 -0.110 -3.663 1.00 0.00 N ATOM 186 CA LEU A 275 28.364 0.759 -3.357 1.00 0.00 C ATOM 187 C LEU A 275 27.377 0.062 -2.427 1.00 0.00 C ATOM 188 O LEU A 275 26.360 -0.469 -2.873 1.00 0.00 O ATOM 189 CB LEU A 275 27.653 1.172 -4.647 1.00 0.00 C ATOM 190 CG LEU A 275 26.994 2.552 -4.616 1.00 0.00 C ATOM 191 CD1 LEU A 275 26.525 2.945 -6.008 1.00 0.00 C ATOM 192 CD2 LEU A 275 25.831 2.565 -3.636 1.00 0.00 C ATOM 0 H LEU A 275 29.235 -1.039 -3.994 1.00 0.00 H new ATOM 0 HA LEU A 275 28.746 1.647 -2.854 1.00 0.00 H new ATOM 0 HB2 LEU A 275 28.375 1.150 -5.463 1.00 0.00 H new ATOM 0 HB3 LEU A 275 26.890 0.428 -4.876 1.00 0.00 H new ATOM 0 HG LEU A 275 27.732 3.281 -4.281 1.00 0.00 H new ATOM 0 HD11 LEU A 275 26.058 3.929 -5.970 1.00 0.00 H new ATOM 0 HD12 LEU A 275 27.379 2.974 -6.685 1.00 0.00 H new ATOM 0 HD13 LEU A 275 25.801 2.214 -6.368 1.00 0.00 H new ATOM 0 HD21 LEU A 275 25.374 3.555 -3.627 1.00 0.00 H new ATOM 0 HD22 LEU A 275 25.090 1.826 -3.941 1.00 0.00 H new ATOM 0 HD23 LEU A 275 26.194 2.324 -2.637 1.00 0.00 H new ATOM 204 N PRO A 276 27.663 0.054 -1.115 1.00 0.00 N ATOM 205 CA PRO A 276 26.802 -0.578 -0.124 1.00 0.00 C ATOM 206 C PRO A 276 25.728 0.370 0.396 1.00 0.00 C ATOM 207 O PRO A 276 25.438 1.394 -0.222 1.00 0.00 O ATOM 208 CB PRO A 276 27.787 -0.930 0.984 1.00 0.00 C ATOM 209 CG PRO A 276 28.803 0.165 0.940 1.00 0.00 C ATOM 210 CD PRO A 276 28.853 0.661 -0.490 1.00 0.00 C ATOM 0 HA PRO A 276 26.252 -1.430 -0.525 1.00 0.00 H new ATOM 0 HB2 PRO A 276 27.293 -0.975 1.955 1.00 0.00 H new ATOM 0 HB3 PRO A 276 28.245 -1.904 0.814 1.00 0.00 H new ATOM 0 HG2 PRO A 276 28.530 0.972 1.620 1.00 0.00 H new ATOM 0 HG3 PRO A 276 29.780 -0.201 1.256 1.00 0.00 H new ATOM 0 HD2 PRO A 276 28.818 1.749 -0.537 1.00 0.00 H new ATOM 0 HD3 PRO A 276 29.770 0.349 -0.990 1.00 0.00 H new ATOM 218 N ASP A 277 25.147 0.025 1.538 1.00 0.00 N ATOM 219 CA ASP A 277 24.111 0.851 2.144 1.00 0.00 C ATOM 220 C ASP A 277 24.677 1.659 3.302 1.00 0.00 C ATOM 221 O ASP A 277 24.496 2.874 3.377 1.00 0.00 O ATOM 222 CB ASP A 277 22.951 -0.021 2.630 1.00 0.00 C ATOM 223 CG ASP A 277 22.019 -0.429 1.506 1.00 0.00 C ATOM 224 OD1 ASP A 277 21.176 0.401 1.103 1.00 0.00 O ATOM 225 OD2 ASP A 277 22.132 -1.577 1.028 1.00 0.00 O ATOM 0 H ASP A 277 25.375 -0.820 2.062 1.00 0.00 H new ATOM 0 HA ASP A 277 23.740 1.542 1.387 1.00 0.00 H new ATOM 0 HB2 ASP A 277 23.349 -0.915 3.110 1.00 0.00 H new ATOM 0 HB3 ASP A 277 22.385 0.522 3.387 1.00 0.00 H new ATOM 230 N LEU A 278 25.368 0.971 4.199 1.00 0.00 N ATOM 231 CA LEU A 278 25.976 1.596 5.359 1.00 0.00 C ATOM 232 C LEU A 278 24.966 1.835 6.483 1.00 0.00 C ATOM 233 O LEU A 278 25.328 1.826 7.661 1.00 0.00 O ATOM 234 CB LEU A 278 26.633 2.904 4.955 1.00 0.00 C ATOM 235 CG LEU A 278 27.757 3.346 5.874 1.00 0.00 C ATOM 236 CD1 LEU A 278 28.850 4.034 5.080 1.00 0.00 C ATOM 237 CD2 LEU A 278 27.211 4.256 6.953 1.00 0.00 C ATOM 0 H LEU A 278 25.522 -0.036 4.141 1.00 0.00 H new ATOM 0 HA LEU A 278 26.731 0.911 5.745 1.00 0.00 H new ATOM 0 HB2 LEU A 278 27.025 2.803 3.943 1.00 0.00 H new ATOM 0 HB3 LEU A 278 25.874 3.685 4.927 1.00 0.00 H new ATOM 0 HG LEU A 278 28.194 2.469 6.352 1.00 0.00 H new ATOM 0 HD11 LEU A 278 29.648 4.345 5.754 1.00 0.00 H new ATOM 0 HD12 LEU A 278 29.250 3.343 4.338 1.00 0.00 H new ATOM 0 HD13 LEU A 278 28.438 4.909 4.577 1.00 0.00 H new ATOM 0 HD21 LEU A 278 28.023 4.570 7.609 1.00 0.00 H new ATOM 0 HD22 LEU A 278 26.756 5.133 6.493 1.00 0.00 H new ATOM 0 HD23 LEU A 278 26.460 3.721 7.535 1.00 0.00 H new ATOM 249 N SER A 279 23.706 2.053 6.119 1.00 0.00 N ATOM 250 CA SER A 279 22.653 2.296 7.096 1.00 0.00 C ATOM 251 C SER A 279 22.887 1.499 8.376 1.00 0.00 C ATOM 252 O SER A 279 22.829 2.045 9.477 1.00 0.00 O ATOM 253 CB SER A 279 21.290 1.936 6.501 1.00 0.00 C ATOM 254 OG SER A 279 20.266 2.029 7.475 1.00 0.00 O ATOM 0 H SER A 279 23.390 2.066 5.149 1.00 0.00 H new ATOM 0 HA SER A 279 22.670 3.356 7.349 1.00 0.00 H new ATOM 0 HB2 SER A 279 21.066 2.603 5.669 1.00 0.00 H new ATOM 0 HB3 SER A 279 21.322 0.924 6.098 1.00 0.00 H new ATOM 0 HG SER A 279 19.406 1.795 7.068 1.00 0.00 H new ATOM 260 N SER A 280 23.148 0.203 8.227 1.00 0.00 N ATOM 261 CA SER A 280 23.385 -0.662 9.379 1.00 0.00 C ATOM 262 C SER A 280 24.448 -1.711 9.070 1.00 0.00 C ATOM 263 O SER A 280 24.598 -2.688 9.804 1.00 0.00 O ATOM 264 CB SER A 280 22.084 -1.346 9.803 1.00 0.00 C ATOM 265 OG SER A 280 21.833 -2.498 9.017 1.00 0.00 O ATOM 0 H SER A 280 23.201 -0.269 7.325 1.00 0.00 H new ATOM 0 HA SER A 280 23.747 -0.040 10.198 1.00 0.00 H new ATOM 0 HB2 SER A 280 22.143 -1.626 10.855 1.00 0.00 H new ATOM 0 HB3 SER A 280 21.253 -0.647 9.705 1.00 0.00 H new ATOM 0 HG SER A 280 20.997 -2.918 9.309 1.00 0.00 H new ATOM 271 N MET A 281 25.185 -1.503 7.984 1.00 0.00 N ATOM 272 CA MET A 281 26.236 -2.434 7.586 1.00 0.00 C ATOM 273 C MET A 281 27.403 -2.365 8.563 1.00 0.00 C ATOM 274 O MET A 281 28.279 -3.224 8.562 1.00 0.00 O ATOM 275 CB MET A 281 26.709 -2.115 6.166 1.00 0.00 C ATOM 276 CG MET A 281 25.648 -2.355 5.103 1.00 0.00 C ATOM 277 SD MET A 281 24.641 -3.815 5.433 1.00 0.00 S ATOM 278 CE MET A 281 23.586 -3.208 6.747 1.00 0.00 C ATOM 0 H MET A 281 25.075 -0.700 7.365 1.00 0.00 H new ATOM 0 HA MET A 281 25.833 -3.447 7.602 1.00 0.00 H new ATOM 0 HB2 MET A 281 27.025 -1.073 6.123 1.00 0.00 H new ATOM 0 HB3 MET A 281 27.584 -2.724 5.938 1.00 0.00 H new ATOM 0 HG2 MET A 281 25.001 -1.480 5.039 1.00 0.00 H new ATOM 0 HG3 MET A 281 26.132 -2.465 4.132 1.00 0.00 H new ATOM 0 HE1 MET A 281 22.547 -3.446 6.519 1.00 0.00 H new ATOM 0 HE2 MET A 281 23.868 -3.681 7.688 1.00 0.00 H new ATOM 0 HE3 MET A 281 23.700 -2.128 6.835 1.00 0.00 H new ATOM 288 N THR A 282 27.380 -1.336 9.399 1.00 0.00 N ATOM 289 CA THR A 282 28.405 -1.105 10.422 1.00 0.00 C ATOM 290 C THR A 282 29.690 -1.900 10.183 1.00 0.00 C ATOM 291 O THR A 282 30.676 -1.370 9.677 1.00 0.00 O ATOM 292 CB THR A 282 27.847 -1.447 11.802 1.00 0.00 C ATOM 293 OG1 THR A 282 28.889 -1.829 12.683 1.00 0.00 O ATOM 294 CG2 THR A 282 26.833 -2.569 11.777 1.00 0.00 C ATOM 0 H THR A 282 26.645 -0.629 9.391 1.00 0.00 H new ATOM 0 HA THR A 282 28.668 -0.049 10.364 1.00 0.00 H new ATOM 0 HB THR A 282 27.351 -0.539 12.146 1.00 0.00 H new ATOM 0 HG1 THR A 282 28.512 -2.043 13.562 1.00 0.00 H new ATOM 0 HG21 THR A 282 26.477 -2.761 12.789 1.00 0.00 H new ATOM 0 HG22 THR A 282 25.992 -2.285 11.145 1.00 0.00 H new ATOM 0 HG23 THR A 282 27.298 -3.471 11.379 1.00 0.00 H new ATOM 302 N GLU A 283 29.678 -3.165 10.588 1.00 0.00 N ATOM 303 CA GLU A 283 30.848 -4.032 10.456 1.00 0.00 C ATOM 304 C GLU A 283 31.218 -4.287 8.997 1.00 0.00 C ATOM 305 O GLU A 283 32.358 -4.066 8.594 1.00 0.00 O ATOM 306 CB GLU A 283 30.595 -5.360 11.168 1.00 0.00 C ATOM 307 CG GLU A 283 31.567 -5.634 12.304 1.00 0.00 C ATOM 308 CD GLU A 283 31.930 -7.101 12.421 1.00 0.00 C ATOM 309 OE1 GLU A 283 31.136 -7.948 11.960 1.00 0.00 O ATOM 310 OE2 GLU A 283 33.007 -7.404 12.976 1.00 0.00 O ATOM 0 H GLU A 283 28.868 -3.617 11.013 1.00 0.00 H new ATOM 0 HA GLU A 283 31.689 -3.517 10.920 1.00 0.00 H new ATOM 0 HB2 GLU A 283 29.578 -5.364 11.561 1.00 0.00 H new ATOM 0 HB3 GLU A 283 30.659 -6.170 10.442 1.00 0.00 H new ATOM 0 HG2 GLU A 283 32.475 -5.050 12.149 1.00 0.00 H new ATOM 0 HG3 GLU A 283 31.127 -5.297 13.243 1.00 0.00 H new ATOM 317 N GLU A 284 30.264 -4.777 8.218 1.00 0.00 N ATOM 318 CA GLU A 284 30.506 -5.084 6.811 1.00 0.00 C ATOM 319 C GLU A 284 30.755 -3.819 5.992 1.00 0.00 C ATOM 320 O GLU A 284 31.286 -3.883 4.885 1.00 0.00 O ATOM 321 CB GLU A 284 29.326 -5.862 6.227 1.00 0.00 C ATOM 322 CG GLU A 284 28.090 -5.009 5.994 1.00 0.00 C ATOM 323 CD GLU A 284 26.877 -5.837 5.616 1.00 0.00 C ATOM 324 OE1 GLU A 284 26.671 -6.072 4.408 1.00 0.00 O ATOM 325 OE2 GLU A 284 26.131 -6.248 6.530 1.00 0.00 O ATOM 0 H GLU A 284 29.314 -4.971 8.534 1.00 0.00 H new ATOM 0 HA GLU A 284 31.405 -5.699 6.758 1.00 0.00 H new ATOM 0 HB2 GLU A 284 29.630 -6.312 5.282 1.00 0.00 H new ATOM 0 HB3 GLU A 284 29.071 -6.679 6.901 1.00 0.00 H new ATOM 0 HG2 GLU A 284 27.870 -4.439 6.897 1.00 0.00 H new ATOM 0 HG3 GLU A 284 28.294 -4.287 5.203 1.00 0.00 H new ATOM 332 N GLU A 285 30.372 -2.674 6.539 1.00 0.00 N ATOM 333 CA GLU A 285 30.557 -1.399 5.858 1.00 0.00 C ATOM 334 C GLU A 285 31.975 -0.883 6.060 1.00 0.00 C ATOM 335 O GLU A 285 32.607 -0.368 5.138 1.00 0.00 O ATOM 336 CB GLU A 285 29.545 -0.373 6.380 1.00 0.00 C ATOM 337 CG GLU A 285 30.083 0.566 7.451 1.00 0.00 C ATOM 338 CD GLU A 285 28.980 1.228 8.253 1.00 0.00 C ATOM 339 OE1 GLU A 285 27.821 0.769 8.161 1.00 0.00 O ATOM 340 OE2 GLU A 285 29.272 2.206 8.972 1.00 0.00 O ATOM 0 H GLU A 285 29.930 -2.601 7.455 1.00 0.00 H new ATOM 0 HA GLU A 285 30.393 -1.550 4.791 1.00 0.00 H new ATOM 0 HB2 GLU A 285 29.187 0.223 5.541 1.00 0.00 H new ATOM 0 HB3 GLU A 285 28.684 -0.906 6.783 1.00 0.00 H new ATOM 0 HG2 GLU A 285 30.733 0.008 8.125 1.00 0.00 H new ATOM 0 HG3 GLU A 285 30.696 1.334 6.981 1.00 0.00 H new ATOM 347 N GLN A 286 32.454 -1.023 7.284 1.00 0.00 N ATOM 348 CA GLN A 286 33.792 -0.573 7.651 1.00 0.00 C ATOM 349 C GLN A 286 34.852 -1.565 7.185 1.00 0.00 C ATOM 350 O GLN A 286 36.004 -1.196 6.950 1.00 0.00 O ATOM 351 CB GLN A 286 33.888 -0.380 9.164 1.00 0.00 C ATOM 352 CG GLN A 286 33.379 0.972 9.637 1.00 0.00 C ATOM 353 CD GLN A 286 32.526 0.869 10.887 1.00 0.00 C ATOM 354 OE1 GLN A 286 33.042 0.701 11.992 1.00 0.00 O ATOM 355 NE2 GLN A 286 31.212 0.970 10.718 1.00 0.00 N ATOM 0 H GLN A 286 31.932 -1.449 8.050 1.00 0.00 H new ATOM 0 HA GLN A 286 33.974 0.381 7.156 1.00 0.00 H new ATOM 0 HB2 GLN A 286 33.319 -1.167 9.659 1.00 0.00 H new ATOM 0 HB3 GLN A 286 34.927 -0.496 9.472 1.00 0.00 H new ATOM 0 HG2 GLN A 286 34.228 1.627 9.834 1.00 0.00 H new ATOM 0 HG3 GLN A 286 32.796 1.436 8.841 1.00 0.00 H new ATOM 0 HE21 GLN A 286 30.827 1.109 9.784 1.00 0.00 H new ATOM 0 HE22 GLN A 286 30.588 0.909 11.523 1.00 0.00 H new ATOM 364 N ILE A 287 34.453 -2.822 7.034 1.00 0.00 N ATOM 365 CA ILE A 287 35.359 -3.861 6.581 1.00 0.00 C ATOM 366 C ILE A 287 35.407 -3.859 5.070 1.00 0.00 C ATOM 367 O ILE A 287 36.472 -3.961 4.461 1.00 0.00 O ATOM 368 CB ILE A 287 34.923 -5.243 7.081 1.00 0.00 C ATOM 369 CG1 ILE A 287 33.589 -5.638 6.463 1.00 0.00 C ATOM 370 CG2 ILE A 287 34.841 -5.254 8.598 1.00 0.00 C ATOM 371 CD1 ILE A 287 33.719 -6.265 5.092 1.00 0.00 C ATOM 0 H ILE A 287 33.503 -3.144 7.220 1.00 0.00 H new ATOM 0 HA ILE A 287 36.348 -3.653 6.988 1.00 0.00 H new ATOM 0 HB ILE A 287 35.669 -5.976 6.773 1.00 0.00 H new ATOM 0 HG12 ILE A 287 33.083 -6.339 7.127 1.00 0.00 H new ATOM 0 HG13 ILE A 287 32.956 -4.754 6.391 1.00 0.00 H new ATOM 0 HG21 ILE A 287 34.530 -6.242 8.938 1.00 0.00 H new ATOM 0 HG22 ILE A 287 35.819 -5.017 9.017 1.00 0.00 H new ATOM 0 HG23 ILE A 287 34.115 -4.511 8.929 1.00 0.00 H new ATOM 0 HD11 ILE A 287 32.729 -6.521 4.714 1.00 0.00 H new ATOM 0 HD12 ILE A 287 34.196 -5.559 4.413 1.00 0.00 H new ATOM 0 HD13 ILE A 287 34.326 -7.168 5.161 1.00 0.00 H new ATOM 383 N ALA A 288 34.236 -3.701 4.470 1.00 0.00 N ATOM 384 CA ALA A 288 34.127 -3.634 3.031 1.00 0.00 C ATOM 385 C ALA A 288 34.886 -2.410 2.554 1.00 0.00 C ATOM 386 O ALA A 288 35.650 -2.459 1.587 1.00 0.00 O ATOM 387 CB ALA A 288 32.663 -3.565 2.624 1.00 0.00 C ATOM 0 H ALA A 288 33.348 -3.617 4.965 1.00 0.00 H new ATOM 0 HA ALA A 288 34.555 -4.526 2.573 1.00 0.00 H new ATOM 0 HB1 ALA A 288 32.589 -3.515 1.538 1.00 0.00 H new ATOM 0 HB2 ALA A 288 32.144 -4.454 2.982 1.00 0.00 H new ATOM 0 HB3 ALA A 288 32.206 -2.677 3.060 1.00 0.00 H new ATOM 393 N TYR A 289 34.703 -1.313 3.280 1.00 0.00 N ATOM 394 CA TYR A 289 35.398 -0.078 2.965 1.00 0.00 C ATOM 395 C TYR A 289 36.895 -0.326 3.029 1.00 0.00 C ATOM 396 O TYR A 289 37.636 0.012 2.102 1.00 0.00 O ATOM 397 CB TYR A 289 34.998 1.025 3.942 1.00 0.00 C ATOM 398 CG TYR A 289 33.629 1.605 3.670 1.00 0.00 C ATOM 399 CD1 TYR A 289 32.816 1.074 2.677 1.00 0.00 C ATOM 400 CD2 TYR A 289 33.152 2.686 4.401 1.00 0.00 C ATOM 401 CE1 TYR A 289 31.567 1.602 2.420 1.00 0.00 C ATOM 402 CE2 TYR A 289 31.901 3.220 4.150 1.00 0.00 C ATOM 403 CZ TYR A 289 31.114 2.672 3.157 1.00 0.00 C ATOM 404 OH TYR A 289 29.870 3.198 2.892 1.00 0.00 O ATOM 0 H TYR A 289 34.081 -1.257 4.087 1.00 0.00 H new ATOM 0 HA TYR A 289 35.125 0.248 1.961 1.00 0.00 H new ATOM 0 HB2 TYR A 289 35.020 0.626 4.956 1.00 0.00 H new ATOM 0 HB3 TYR A 289 35.738 1.824 3.898 1.00 0.00 H new ATOM 0 HD1 TYR A 289 33.167 0.234 2.096 1.00 0.00 H new ATOM 0 HD2 TYR A 289 33.768 3.116 5.177 1.00 0.00 H new ATOM 0 HE1 TYR A 289 30.948 1.177 1.644 1.00 0.00 H new ATOM 0 HE2 TYR A 289 31.542 4.060 4.727 1.00 0.00 H new ATOM 0 HH TYR A 289 29.554 2.870 2.024 1.00 0.00 H new ATOM 414 N ALA A 290 37.331 -0.954 4.118 1.00 0.00 N ATOM 415 CA ALA A 290 38.733 -1.286 4.282 1.00 0.00 C ATOM 416 C ALA A 290 39.178 -2.161 3.122 1.00 0.00 C ATOM 417 O ALA A 290 40.354 -2.189 2.757 1.00 0.00 O ATOM 418 CB ALA A 290 38.965 -1.991 5.610 1.00 0.00 C ATOM 0 H ALA A 290 36.733 -1.240 4.893 1.00 0.00 H new ATOM 0 HA ALA A 290 39.323 -0.369 4.286 1.00 0.00 H new ATOM 0 HB1 ALA A 290 40.023 -2.232 5.714 1.00 0.00 H new ATOM 0 HB2 ALA A 290 38.659 -1.338 6.427 1.00 0.00 H new ATOM 0 HB3 ALA A 290 38.379 -2.910 5.642 1.00 0.00 H new ATOM 424 N MET A 291 38.210 -2.864 2.532 1.00 0.00 N ATOM 425 CA MET A 291 38.476 -3.731 1.394 1.00 0.00 C ATOM 426 C MET A 291 38.877 -2.888 0.187 1.00 0.00 C ATOM 427 O MET A 291 39.779 -3.250 -0.570 1.00 0.00 O ATOM 428 CB MET A 291 37.240 -4.600 1.085 1.00 0.00 C ATOM 429 CG MET A 291 36.459 -4.191 -0.163 1.00 0.00 C ATOM 430 SD MET A 291 34.683 -4.464 0.000 1.00 0.00 S ATOM 431 CE MET A 291 34.057 -2.824 -0.367 1.00 0.00 C ATOM 0 H MET A 291 37.234 -2.847 2.828 1.00 0.00 H new ATOM 0 HA MET A 291 39.302 -4.401 1.634 1.00 0.00 H new ATOM 0 HB2 MET A 291 37.562 -5.635 0.971 1.00 0.00 H new ATOM 0 HB3 MET A 291 36.568 -4.568 1.943 1.00 0.00 H new ATOM 0 HG2 MET A 291 36.642 -3.137 -0.371 1.00 0.00 H new ATOM 0 HG3 MET A 291 36.831 -4.754 -1.019 1.00 0.00 H new ATOM 0 HE1 MET A 291 32.969 -2.855 -0.429 1.00 0.00 H new ATOM 0 HE2 MET A 291 34.355 -2.135 0.423 1.00 0.00 H new ATOM 0 HE3 MET A 291 34.465 -2.483 -1.318 1.00 0.00 H new ATOM 441 N GLN A 292 38.201 -1.753 0.024 1.00 0.00 N ATOM 442 CA GLN A 292 38.484 -0.845 -1.080 1.00 0.00 C ATOM 443 C GLN A 292 39.886 -0.263 -0.947 1.00 0.00 C ATOM 444 O GLN A 292 40.637 -0.194 -1.919 1.00 0.00 O ATOM 445 CB GLN A 292 37.453 0.285 -1.119 1.00 0.00 C ATOM 446 CG GLN A 292 36.018 -0.203 -1.234 1.00 0.00 C ATOM 447 CD GLN A 292 35.118 0.799 -1.928 1.00 0.00 C ATOM 448 OE1 GLN A 292 34.313 0.439 -2.787 1.00 0.00 O ATOM 449 NE2 GLN A 292 35.250 2.069 -1.559 1.00 0.00 N ATOM 0 H GLN A 292 37.453 -1.442 0.644 1.00 0.00 H new ATOM 0 HA GLN A 292 38.425 -1.410 -2.010 1.00 0.00 H new ATOM 0 HB2 GLN A 292 37.552 0.887 -0.216 1.00 0.00 H new ATOM 0 HB3 GLN A 292 37.674 0.938 -1.963 1.00 0.00 H new ATOM 0 HG2 GLN A 292 36.001 -1.144 -1.784 1.00 0.00 H new ATOM 0 HG3 GLN A 292 35.627 -0.409 -0.238 1.00 0.00 H new ATOM 0 HE21 GLN A 292 35.930 2.324 -0.843 1.00 0.00 H new ATOM 0 HE22 GLN A 292 34.671 2.789 -1.992 1.00 0.00 H new ATOM 458 N MET A 293 40.233 0.149 0.269 1.00 0.00 N ATOM 459 CA MET A 293 41.549 0.721 0.535 1.00 0.00 C ATOM 460 C MET A 293 42.618 -0.366 0.539 1.00 0.00 C ATOM 461 O MET A 293 43.808 -0.081 0.404 1.00 0.00 O ATOM 462 CB MET A 293 41.549 1.454 1.876 1.00 0.00 C ATOM 463 CG MET A 293 41.597 0.523 3.077 1.00 0.00 C ATOM 464 SD MET A 293 43.046 0.800 4.115 1.00 0.00 S ATOM 465 CE MET A 293 43.896 -0.767 3.935 1.00 0.00 C ATOM 0 H MET A 293 39.622 0.098 1.084 1.00 0.00 H new ATOM 0 HA MET A 293 41.777 1.432 -0.259 1.00 0.00 H new ATOM 0 HB2 MET A 293 42.406 2.126 1.913 1.00 0.00 H new ATOM 0 HB3 MET A 293 40.655 2.074 1.942 1.00 0.00 H new ATOM 0 HG2 MET A 293 40.696 0.660 3.674 1.00 0.00 H new ATOM 0 HG3 MET A 293 41.595 -0.511 2.731 1.00 0.00 H new ATOM 0 HE1 MET A 293 44.737 -0.806 4.627 1.00 0.00 H new ATOM 0 HE2 MET A 293 43.207 -1.582 4.155 1.00 0.00 H new ATOM 0 HE3 MET A 293 44.262 -0.867 2.913 1.00 0.00 H new ATOM 475 N SER A 294 42.184 -1.612 0.695 1.00 0.00 N ATOM 476 CA SER A 294 43.102 -2.743 0.717 1.00 0.00 C ATOM 477 C SER A 294 43.418 -3.211 -0.700 1.00 0.00 C ATOM 478 O SER A 294 44.466 -3.807 -0.949 1.00 0.00 O ATOM 479 CB SER A 294 42.507 -3.895 1.530 1.00 0.00 C ATOM 480 OG SER A 294 43.123 -5.126 1.197 1.00 0.00 O ATOM 0 H SER A 294 41.202 -1.864 0.808 1.00 0.00 H new ATOM 0 HA SER A 294 44.030 -2.419 1.189 1.00 0.00 H new ATOM 0 HB2 SER A 294 42.635 -3.697 2.594 1.00 0.00 H new ATOM 0 HB3 SER A 294 41.435 -3.959 1.344 1.00 0.00 H new ATOM 0 HG SER A 294 42.726 -5.845 1.731 1.00 0.00 H new ATOM 486 N LEU A 295 42.505 -2.936 -1.627 1.00 0.00 N ATOM 487 CA LEU A 295 42.688 -3.325 -3.021 1.00 0.00 C ATOM 488 C LEU A 295 42.487 -2.130 -3.949 1.00 0.00 C ATOM 489 O LEU A 295 41.927 -2.264 -5.037 1.00 0.00 O ATOM 490 CB LEU A 295 41.716 -4.446 -3.393 1.00 0.00 C ATOM 491 CG LEU A 295 42.353 -5.658 -4.078 1.00 0.00 C ATOM 492 CD1 LEU A 295 41.373 -6.819 -4.124 1.00 0.00 C ATOM 493 CD2 LEU A 295 42.816 -5.293 -5.481 1.00 0.00 C ATOM 0 H LEU A 295 41.631 -2.445 -1.438 1.00 0.00 H new ATOM 0 HA LEU A 295 43.709 -3.687 -3.140 1.00 0.00 H new ATOM 0 HB2 LEU A 295 41.212 -4.784 -2.488 1.00 0.00 H new ATOM 0 HB3 LEU A 295 40.949 -4.037 -4.051 1.00 0.00 H new ATOM 0 HG LEU A 295 43.223 -5.966 -3.498 1.00 0.00 H new ATOM 0 HD11 LEU A 295 41.842 -7.672 -4.614 1.00 0.00 H new ATOM 0 HD12 LEU A 295 41.088 -7.095 -3.109 1.00 0.00 H new ATOM 0 HD13 LEU A 295 40.485 -6.523 -4.682 1.00 0.00 H new ATOM 0 HD21 LEU A 295 43.266 -6.166 -5.954 1.00 0.00 H new ATOM 0 HD22 LEU A 295 41.962 -4.961 -6.071 1.00 0.00 H new ATOM 0 HD23 LEU A 295 43.552 -4.491 -5.424 1.00 0.00 H new ATOM 505 N GLN A 296 42.948 -0.963 -3.509 1.00 0.00 N ATOM 506 CA GLN A 296 42.820 0.258 -4.297 1.00 0.00 C ATOM 507 C GLN A 296 44.074 0.503 -5.129 1.00 0.00 C ATOM 508 O GLN A 296 44.608 1.612 -5.153 1.00 0.00 O ATOM 509 CB GLN A 296 42.559 1.456 -3.381 1.00 0.00 C ATOM 510 CG GLN A 296 41.402 2.329 -3.836 1.00 0.00 C ATOM 511 CD GLN A 296 41.272 3.596 -3.014 1.00 0.00 C ATOM 512 OE1 GLN A 296 42.086 4.511 -3.130 1.00 0.00 O ATOM 513 NE2 GLN A 296 40.243 3.655 -2.176 1.00 0.00 N ATOM 0 H GLN A 296 43.414 -0.837 -2.610 1.00 0.00 H new ATOM 0 HA GLN A 296 41.975 0.136 -4.975 1.00 0.00 H new ATOM 0 HB2 GLN A 296 42.356 1.094 -2.373 1.00 0.00 H new ATOM 0 HB3 GLN A 296 43.462 2.064 -3.326 1.00 0.00 H new ATOM 0 HG2 GLN A 296 41.541 2.593 -4.884 1.00 0.00 H new ATOM 0 HG3 GLN A 296 40.474 1.760 -3.770 1.00 0.00 H new ATOM 0 HE21 GLN A 296 39.592 2.872 -2.112 1.00 0.00 H new ATOM 0 HE22 GLN A 296 40.104 4.483 -1.597 1.00 0.00 H new ATOM 522 N GLY A 297 44.539 -0.538 -5.809 1.00 0.00 N ATOM 523 CA GLY A 297 45.726 -0.418 -6.633 1.00 0.00 C ATOM 524 C GLY A 297 46.290 -1.767 -7.031 1.00 0.00 C ATOM 525 O GLY A 297 46.354 -2.097 -8.215 1.00 0.00 O ATOM 0 H GLY A 297 44.114 -1.465 -5.804 1.00 0.00 H new ATOM 0 HA2 GLY A 297 45.486 0.152 -7.531 1.00 0.00 H new ATOM 0 HA3 GLY A 297 46.486 0.145 -6.091 1.00 0.00 H new ATOM 529 N ALA A 298 46.695 -2.552 -6.038 1.00 0.00 N ATOM 530 CA ALA A 298 47.251 -3.875 -6.290 1.00 0.00 C ATOM 531 C ALA A 298 48.728 -3.791 -6.663 1.00 0.00 C ATOM 532 O ALA A 298 49.286 -4.725 -7.239 1.00 0.00 O ATOM 533 CB ALA A 298 46.466 -4.573 -7.390 1.00 0.00 C ATOM 0 H ALA A 298 46.648 -2.294 -5.052 1.00 0.00 H new ATOM 0 HA ALA A 298 47.170 -4.457 -5.372 1.00 0.00 H new ATOM 0 HB1 ALA A 298 46.891 -5.561 -7.569 1.00 0.00 H new ATOM 0 HB2 ALA A 298 45.425 -4.676 -7.085 1.00 0.00 H new ATOM 0 HB3 ALA A 298 46.519 -3.983 -8.305 1.00 0.00 H new ATOM 539 N GLU A 299 49.355 -2.668 -6.331 1.00 0.00 N ATOM 540 CA GLU A 299 50.767 -2.465 -6.631 1.00 0.00 C ATOM 541 C GLU A 299 51.263 -1.140 -6.057 1.00 0.00 C ATOM 542 O GLU A 299 51.994 -0.402 -6.716 1.00 0.00 O ATOM 543 CB GLU A 299 50.999 -2.497 -8.144 1.00 0.00 C ATOM 544 CG GLU A 299 50.260 -1.402 -8.896 1.00 0.00 C ATOM 545 CD GLU A 299 50.026 -1.751 -10.353 1.00 0.00 C ATOM 546 OE1 GLU A 299 50.341 -2.894 -10.748 1.00 0.00 O ATOM 547 OE2 GLU A 299 49.528 -0.882 -11.099 1.00 0.00 O ATOM 0 H GLU A 299 48.908 -1.885 -5.854 1.00 0.00 H new ATOM 0 HA GLU A 299 51.330 -3.274 -6.166 1.00 0.00 H new ATOM 0 HB2 GLU A 299 52.067 -2.405 -8.341 1.00 0.00 H new ATOM 0 HB3 GLU A 299 50.686 -3.467 -8.531 1.00 0.00 H new ATOM 0 HG2 GLU A 299 49.301 -1.218 -8.412 1.00 0.00 H new ATOM 0 HG3 GLU A 299 50.831 -0.476 -8.835 1.00 0.00 H new ATOM 554 N PHE A 300 50.862 -0.847 -4.824 1.00 0.00 N ATOM 555 CA PHE A 300 51.270 0.389 -4.165 1.00 0.00 C ATOM 556 C PHE A 300 52.726 0.717 -4.480 1.00 0.00 C ATOM 557 O PHE A 300 53.033 1.793 -4.991 1.00 0.00 O ATOM 558 CB PHE A 300 51.076 0.273 -2.650 1.00 0.00 C ATOM 559 CG PHE A 300 49.722 -0.245 -2.254 1.00 0.00 C ATOM 560 CD1 PHE A 300 48.664 0.626 -2.048 1.00 0.00 C ATOM 561 CD2 PHE A 300 49.509 -1.604 -2.087 1.00 0.00 C ATOM 562 CE1 PHE A 300 47.419 0.151 -1.681 1.00 0.00 C ATOM 563 CE2 PHE A 300 48.267 -2.085 -1.720 1.00 0.00 C ATOM 564 CZ PHE A 300 47.220 -1.205 -1.517 1.00 0.00 C ATOM 0 H PHE A 300 50.257 -1.446 -4.262 1.00 0.00 H new ATOM 0 HA PHE A 300 50.644 1.197 -4.543 1.00 0.00 H new ATOM 0 HB2 PHE A 300 51.842 -0.388 -2.244 1.00 0.00 H new ATOM 0 HB3 PHE A 300 51.228 1.253 -2.197 1.00 0.00 H new ATOM 0 HD1 PHE A 300 48.814 1.688 -2.176 1.00 0.00 H new ATOM 0 HD2 PHE A 300 50.323 -2.295 -2.246 1.00 0.00 H new ATOM 0 HE1 PHE A 300 46.603 0.840 -1.523 1.00 0.00 H new ATOM 0 HE2 PHE A 300 48.114 -3.146 -1.592 1.00 0.00 H new ATOM 0 HZ PHE A 300 46.248 -1.578 -1.231 1.00 0.00 H new ATOM 574 N GLY A 301 53.618 -0.219 -4.173 1.00 0.00 N ATOM 575 CA GLY A 301 55.030 -0.011 -4.433 1.00 0.00 C ATOM 576 C GLY A 301 55.804 0.359 -3.183 1.00 0.00 C ATOM 577 O GLY A 301 56.835 1.030 -3.260 1.00 0.00 O ATOM 0 H GLY A 301 53.388 -1.118 -3.749 1.00 0.00 H new ATOM 0 HA2 GLY A 301 55.454 -0.918 -4.863 1.00 0.00 H new ATOM 0 HA3 GLY A 301 55.147 0.779 -5.175 1.00 0.00 H new ATOM 581 N GLN A 302 55.307 -0.076 -2.030 1.00 0.00 N ATOM 582 CA GLN A 302 55.959 0.215 -0.758 1.00 0.00 C ATOM 583 C GLN A 302 57.048 -0.812 -0.461 1.00 0.00 C ATOM 584 O GLN A 302 58.131 -0.466 0.010 1.00 0.00 O ATOM 585 CB GLN A 302 54.928 0.232 0.372 1.00 0.00 C ATOM 586 CG GLN A 302 55.496 0.681 1.708 1.00 0.00 C ATOM 587 CD GLN A 302 54.579 0.353 2.871 1.00 0.00 C ATOM 588 OE1 GLN A 302 53.895 1.228 3.403 1.00 0.00 O ATOM 589 NE2 GLN A 302 54.561 -0.913 3.272 1.00 0.00 N ATOM 0 H GLN A 302 54.455 -0.631 -1.950 1.00 0.00 H new ATOM 0 HA GLN A 302 56.424 1.198 -0.828 1.00 0.00 H new ATOM 0 HB2 GLN A 302 54.108 0.894 0.094 1.00 0.00 H new ATOM 0 HB3 GLN A 302 54.507 -0.767 0.483 1.00 0.00 H new ATOM 0 HG2 GLN A 302 56.463 0.204 1.867 1.00 0.00 H new ATOM 0 HG3 GLN A 302 55.672 1.756 1.681 1.00 0.00 H new ATOM 0 HE21 GLN A 302 55.144 -1.605 2.802 1.00 0.00 H new ATOM 0 HE22 GLN A 302 53.964 -1.193 4.050 1.00 0.00 H new ATOM 598 N ALA A 303 56.753 -2.078 -0.743 1.00 0.00 N ATOM 599 CA ALA A 303 57.708 -3.157 -0.512 1.00 0.00 C ATOM 600 C ALA A 303 57.895 -3.998 -1.770 1.00 0.00 C ATOM 601 O ALA A 303 57.087 -3.935 -2.697 1.00 0.00 O ATOM 602 CB ALA A 303 57.248 -4.030 0.647 1.00 0.00 C ATOM 0 H ALA A 303 55.860 -2.382 -1.132 1.00 0.00 H new ATOM 0 HA ALA A 303 58.670 -2.712 -0.256 1.00 0.00 H new ATOM 0 HB1 ALA A 303 57.970 -4.831 0.808 1.00 0.00 H new ATOM 0 HB2 ALA A 303 57.170 -3.425 1.550 1.00 0.00 H new ATOM 0 HB3 ALA A 303 56.274 -4.461 0.414 1.00 0.00 H new ATOM 608 N GLU A 304 58.967 -4.785 -1.799 1.00 0.00 N ATOM 609 CA GLU A 304 59.257 -5.636 -2.949 1.00 0.00 C ATOM 610 C GLU A 304 59.065 -7.109 -2.601 1.00 0.00 C ATOM 611 O GLU A 304 59.750 -7.978 -3.141 1.00 0.00 O ATOM 612 CB GLU A 304 60.686 -5.400 -3.439 1.00 0.00 C ATOM 613 CG GLU A 304 60.977 -6.038 -4.787 1.00 0.00 C ATOM 614 CD GLU A 304 59.768 -6.039 -5.703 1.00 0.00 C ATOM 615 OE1 GLU A 304 59.326 -4.943 -6.104 1.00 0.00 O ATOM 616 OE2 GLU A 304 59.264 -7.138 -6.017 1.00 0.00 O ATOM 0 H GLU A 304 59.647 -4.851 -1.042 1.00 0.00 H new ATOM 0 HA GLU A 304 58.559 -5.375 -3.745 1.00 0.00 H new ATOM 0 HB2 GLU A 304 60.866 -4.327 -3.507 1.00 0.00 H new ATOM 0 HB3 GLU A 304 61.385 -5.794 -2.701 1.00 0.00 H new ATOM 0 HG2 GLU A 304 61.794 -5.502 -5.270 1.00 0.00 H new ATOM 0 HG3 GLU A 304 61.314 -7.063 -4.635 1.00 0.00 H new ATOM 623 N SER A 305 58.131 -7.384 -1.698 1.00 0.00 N ATOM 624 CA SER A 305 57.852 -8.755 -1.282 1.00 0.00 C ATOM 625 C SER A 305 56.583 -9.280 -1.946 1.00 0.00 C ATOM 626 O SER A 305 55.956 -10.217 -1.453 1.00 0.00 O ATOM 627 CB SER A 305 57.712 -8.828 0.240 1.00 0.00 C ATOM 628 OG SER A 305 58.962 -9.086 0.855 1.00 0.00 O ATOM 0 H SER A 305 57.555 -6.678 -1.240 1.00 0.00 H new ATOM 0 HA SER A 305 58.688 -9.380 -1.595 1.00 0.00 H new ATOM 0 HB2 SER A 305 57.305 -7.890 0.616 1.00 0.00 H new ATOM 0 HB3 SER A 305 57.003 -9.612 0.506 1.00 0.00 H new ATOM 0 HG SER A 305 58.846 -9.126 1.827 1.00 0.00 H new ATOM 634 N ALA A 306 56.211 -8.672 -3.067 1.00 0.00 N ATOM 635 CA ALA A 306 55.017 -9.081 -3.798 1.00 0.00 C ATOM 636 C ALA A 306 55.134 -10.524 -4.278 1.00 0.00 C ATOM 637 O ALA A 306 54.546 -11.433 -3.692 1.00 0.00 O ATOM 638 CB ALA A 306 54.773 -8.148 -4.975 1.00 0.00 C ATOM 0 H ALA A 306 56.719 -7.895 -3.489 1.00 0.00 H new ATOM 0 HA ALA A 306 54.167 -9.020 -3.119 1.00 0.00 H new ATOM 0 HB1 ALA A 306 53.879 -8.465 -5.511 1.00 0.00 H new ATOM 0 HB2 ALA A 306 54.635 -7.130 -4.610 1.00 0.00 H new ATOM 0 HB3 ALA A 306 55.630 -8.179 -5.648 1.00 0.00 H new ATOM 644 N ASP A 307 55.896 -10.726 -5.348 1.00 0.00 N ATOM 645 CA ASP A 307 56.090 -12.060 -5.906 1.00 0.00 C ATOM 646 C ASP A 307 56.881 -12.942 -4.946 1.00 0.00 C ATOM 647 O ASP A 307 57.986 -12.527 -4.537 1.00 0.00 O ATOM 648 CB ASP A 307 56.814 -11.973 -7.252 1.00 0.00 C ATOM 649 CG ASP A 307 55.857 -12.004 -8.427 1.00 0.00 C ATOM 650 OD1 ASP A 307 55.087 -12.980 -8.542 1.00 0.00 O ATOM 651 OD2 ASP A 307 55.878 -11.050 -9.234 1.00 0.00 O ATOM 652 OXT ASP A 307 56.390 -14.040 -4.611 1.00 0.00 O ATOM 0 H ASP A 307 56.389 -9.984 -5.846 1.00 0.00 H new ATOM 0 HA ASP A 307 55.108 -12.509 -6.058 1.00 0.00 H new ATOM 0 HB2 ASP A 307 57.399 -11.054 -7.288 1.00 0.00 H new ATOM 0 HB3 ASP A 307 57.517 -12.802 -7.338 1.00 0.00 H new TER 657 ASP A 307