USER MOD reduce.3.24.130724 H: found=0, std=0, add=312, rem=0, adj=11 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 282 THR OG1 : rot 180:sc= -0.631 USER MOD Set 1.2: A 286 GLN : amide:sc= -4.63! K(o=-5.3!,f=-3.4) USER MOD Single : A 263 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 264 THR OG1 : rot 180:sc= 0 USER MOD Single : A 266 SER OG : rot 180:sc= -0.439 USER MOD Single : A 267 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 268 GLN : amide:sc=-0.00193 K(o=-0.0019,f=-1.2) USER MOD Single : A 273 THR OG1 : rot 25:sc= 0.243 USER MOD Single : A 279 SER OG : rot 180:sc= 0 USER MOD Single : A 280 SER OG : rot 180:sc= 0 USER MOD Single : A 281 MET CE :methyl 136:sc= -13.8! (180deg=-20.7!) USER MOD Single : A 289 TYR OH : rot 81:sc= 0.448 USER MOD Single : A 291 MET CE :methyl -120:sc= -8.14! (180deg=-10!) USER MOD Single : A 292 GLN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 293 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 294 SER OG : rot 180:sc= 0 USER MOD Single : A 296 GLN : amide:sc= -0.402 K(o=-0.4,f=-2.8!) USER MOD Single : A 302 GLN : amide:sc= -0.722 K(o=-0.72,f=-1.3!) USER MOD Single : A 305 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 263 11.258 12.278 -13.350 1.00 0.00 N ATOM 2 CA MET A 263 12.444 11.733 -12.637 1.00 0.00 C ATOM 3 C MET A 263 12.100 10.447 -11.892 1.00 0.00 C ATOM 4 O MET A 263 10.945 10.022 -11.870 1.00 0.00 O ATOM 5 CB MET A 263 12.952 12.791 -11.657 1.00 0.00 C ATOM 6 CG MET A 263 14.455 13.005 -11.720 1.00 0.00 C ATOM 7 SD MET A 263 14.937 14.160 -13.019 1.00 0.00 S ATOM 8 CE MET A 263 16.072 13.150 -13.968 1.00 0.00 C ATOM 0 HA MET A 263 13.218 11.492 -13.365 1.00 0.00 H new ATOM 0 HB2 MET A 263 12.450 13.736 -11.863 1.00 0.00 H new ATOM 0 HB3 MET A 263 12.677 12.498 -10.644 1.00 0.00 H new ATOM 0 HG2 MET A 263 14.806 13.379 -10.758 1.00 0.00 H new ATOM 0 HG3 MET A 263 14.948 12.048 -11.889 1.00 0.00 H new ATOM 0 HE1 MET A 263 16.456 13.727 -14.809 1.00 0.00 H new ATOM 0 HE2 MET A 263 16.901 12.839 -13.332 1.00 0.00 H new ATOM 0 HE3 MET A 263 15.550 12.269 -14.341 1.00 0.00 H new ATOM 20 N THR A 264 13.109 9.833 -11.284 1.00 0.00 N ATOM 21 CA THR A 264 12.910 8.595 -10.539 1.00 0.00 C ATOM 22 C THR A 264 13.873 8.508 -9.358 1.00 0.00 C ATOM 23 O THR A 264 15.015 8.960 -9.441 1.00 0.00 O ATOM 24 CB THR A 264 13.101 7.386 -11.455 1.00 0.00 C ATOM 25 OG1 THR A 264 13.116 6.186 -10.704 1.00 0.00 O ATOM 26 CG2 THR A 264 14.381 7.441 -12.261 1.00 0.00 C ATOM 0 H THR A 264 14.071 10.171 -11.292 1.00 0.00 H new ATOM 0 HA THR A 264 11.890 8.594 -10.155 1.00 0.00 H new ATOM 0 HB THR A 264 12.257 7.410 -12.144 1.00 0.00 H new ATOM 0 HG1 THR A 264 13.237 5.424 -11.308 1.00 0.00 H new ATOM 0 HG21 THR A 264 14.454 6.553 -12.889 1.00 0.00 H new ATOM 0 HG22 THR A 264 14.377 8.331 -12.890 1.00 0.00 H new ATOM 0 HG23 THR A 264 15.235 7.478 -11.585 1.00 0.00 H new ATOM 34 N ILE A 265 13.402 7.924 -8.262 1.00 0.00 N ATOM 35 CA ILE A 265 14.220 7.775 -7.064 1.00 0.00 C ATOM 36 C ILE A 265 14.819 6.374 -6.978 1.00 0.00 C ATOM 37 O ILE A 265 14.970 5.818 -5.890 1.00 0.00 O ATOM 38 CB ILE A 265 13.401 8.049 -5.787 1.00 0.00 C ATOM 39 CG1 ILE A 265 14.287 7.905 -4.548 1.00 0.00 C ATOM 40 CG2 ILE A 265 12.211 7.106 -5.708 1.00 0.00 C ATOM 41 CD1 ILE A 265 14.260 9.116 -3.641 1.00 0.00 C ATOM 0 H ILE A 265 12.458 7.546 -8.178 1.00 0.00 H new ATOM 0 HA ILE A 265 15.024 8.508 -7.137 1.00 0.00 H new ATOM 0 HB ILE A 265 13.025 9.072 -5.825 1.00 0.00 H new ATOM 0 HG12 ILE A 265 13.967 7.030 -3.982 1.00 0.00 H new ATOM 0 HG13 ILE A 265 15.314 7.721 -4.865 1.00 0.00 H new ATOM 0 HG21 ILE A 265 11.643 7.312 -4.801 1.00 0.00 H new ATOM 0 HG22 ILE A 265 11.571 7.254 -6.578 1.00 0.00 H new ATOM 0 HG23 ILE A 265 12.564 6.075 -5.688 1.00 0.00 H new ATOM 0 HD11 ILE A 265 14.911 8.943 -2.784 1.00 0.00 H new ATOM 0 HD12 ILE A 265 14.609 9.990 -4.191 1.00 0.00 H new ATOM 0 HD13 ILE A 265 13.241 9.288 -3.294 1.00 0.00 H new ATOM 53 N SER A 266 15.158 5.810 -8.133 1.00 0.00 N ATOM 54 CA SER A 266 15.742 4.474 -8.189 1.00 0.00 C ATOM 55 C SER A 266 17.202 4.498 -7.747 1.00 0.00 C ATOM 56 O SER A 266 17.607 3.733 -6.870 1.00 0.00 O ATOM 57 CB SER A 266 15.638 3.908 -9.606 1.00 0.00 C ATOM 58 OG SER A 266 16.555 2.844 -9.798 1.00 0.00 O ATOM 0 H SER A 266 15.039 6.257 -9.042 1.00 0.00 H new ATOM 0 HA SER A 266 15.184 3.833 -7.506 1.00 0.00 H new ATOM 0 HB2 SER A 266 14.623 3.555 -9.786 1.00 0.00 H new ATOM 0 HB3 SER A 266 15.834 4.697 -10.332 1.00 0.00 H new ATOM 0 HG SER A 266 16.468 2.498 -10.711 1.00 0.00 H new ATOM 64 N GLN A 267 17.986 5.378 -8.359 1.00 0.00 N ATOM 65 CA GLN A 267 19.402 5.501 -8.029 1.00 0.00 C ATOM 66 C GLN A 267 20.050 4.126 -7.899 1.00 0.00 C ATOM 67 O GLN A 267 20.961 3.931 -7.094 1.00 0.00 O ATOM 68 CB GLN A 267 19.577 6.284 -6.727 1.00 0.00 C ATOM 69 CG GLN A 267 18.971 7.677 -6.767 1.00 0.00 C ATOM 70 CD GLN A 267 19.282 8.485 -5.523 1.00 0.00 C ATOM 71 OE1 GLN A 267 19.847 7.967 -4.559 1.00 0.00 O ATOM 72 NE2 GLN A 267 18.913 9.760 -5.537 1.00 0.00 N ATOM 0 H GLN A 267 17.666 6.017 -9.087 1.00 0.00 H new ATOM 0 HA GLN A 267 19.893 6.041 -8.839 1.00 0.00 H new ATOM 0 HB2 GLN A 267 19.122 5.722 -5.911 1.00 0.00 H new ATOM 0 HB3 GLN A 267 20.640 6.366 -6.503 1.00 0.00 H new ATOM 0 HG2 GLN A 267 19.346 8.207 -7.643 1.00 0.00 H new ATOM 0 HG3 GLN A 267 17.890 7.596 -6.882 1.00 0.00 H new ATOM 0 HE21 GLN A 267 18.447 10.147 -6.358 1.00 0.00 H new ATOM 0 HE22 GLN A 267 19.095 10.353 -4.727 1.00 0.00 H new ATOM 81 N GLN A 268 19.572 3.174 -8.695 1.00 0.00 N ATOM 82 CA GLN A 268 20.104 1.817 -8.667 1.00 0.00 C ATOM 83 C GLN A 268 21.017 1.563 -9.863 1.00 0.00 C ATOM 84 O GLN A 268 21.276 2.463 -10.663 1.00 0.00 O ATOM 85 CB GLN A 268 18.960 0.801 -8.659 1.00 0.00 C ATOM 86 CG GLN A 268 18.461 0.453 -7.265 1.00 0.00 C ATOM 87 CD GLN A 268 17.467 -0.691 -7.271 1.00 0.00 C ATOM 88 OE1 GLN A 268 17.405 -1.471 -8.222 1.00 0.00 O ATOM 89 NE2 GLN A 268 16.680 -0.799 -6.206 1.00 0.00 N ATOM 0 H GLN A 268 18.818 3.318 -9.367 1.00 0.00 H new ATOM 0 HA GLN A 268 20.691 1.702 -7.756 1.00 0.00 H new ATOM 0 HB2 GLN A 268 18.130 1.197 -9.244 1.00 0.00 H new ATOM 0 HB3 GLN A 268 19.292 -0.111 -9.154 1.00 0.00 H new ATOM 0 HG2 GLN A 268 19.310 0.189 -6.635 1.00 0.00 H new ATOM 0 HG3 GLN A 268 17.995 1.332 -6.820 1.00 0.00 H new ATOM 0 HE21 GLN A 268 16.764 -0.131 -5.440 1.00 0.00 H new ATOM 0 HE22 GLN A 268 15.992 -1.550 -6.155 1.00 0.00 H new ATOM 98 N GLU A 269 21.499 0.331 -9.979 1.00 0.00 N ATOM 99 CA GLU A 269 22.381 -0.048 -11.078 1.00 0.00 C ATOM 100 C GLU A 269 23.431 1.028 -11.338 1.00 0.00 C ATOM 101 O GLU A 269 23.895 1.198 -12.466 1.00 0.00 O ATOM 102 CB GLU A 269 21.568 -0.301 -12.348 1.00 0.00 C ATOM 103 CG GLU A 269 20.977 0.960 -12.956 1.00 0.00 C ATOM 104 CD GLU A 269 20.676 0.806 -14.434 1.00 0.00 C ATOM 105 OE1 GLU A 269 21.158 -0.175 -15.038 1.00 0.00 O ATOM 106 OE2 GLU A 269 19.959 1.666 -14.987 1.00 0.00 O ATOM 0 H GLU A 269 21.294 -0.424 -9.325 1.00 0.00 H new ATOM 0 HA GLU A 269 22.895 -0.966 -10.793 1.00 0.00 H new ATOM 0 HB2 GLU A 269 22.206 -0.785 -13.087 1.00 0.00 H new ATOM 0 HB3 GLU A 269 20.760 -0.997 -12.119 1.00 0.00 H new ATOM 0 HG2 GLU A 269 20.060 1.219 -12.427 1.00 0.00 H new ATOM 0 HG3 GLU A 269 21.672 1.788 -12.814 1.00 0.00 H new ATOM 113 N PHE A 270 23.805 1.749 -10.287 1.00 0.00 N ATOM 114 CA PHE A 270 24.803 2.807 -10.398 1.00 0.00 C ATOM 115 C PHE A 270 25.742 2.785 -9.198 1.00 0.00 C ATOM 116 O PHE A 270 26.453 3.755 -8.932 1.00 0.00 O ATOM 117 CB PHE A 270 24.124 4.173 -10.502 1.00 0.00 C ATOM 118 CG PHE A 270 24.078 4.718 -11.902 1.00 0.00 C ATOM 119 CD1 PHE A 270 23.031 4.399 -12.752 1.00 0.00 C ATOM 120 CD2 PHE A 270 25.085 5.550 -12.368 1.00 0.00 C ATOM 121 CE1 PHE A 270 22.987 4.901 -14.038 1.00 0.00 C ATOM 122 CE2 PHE A 270 25.046 6.055 -13.653 1.00 0.00 C ATOM 123 CZ PHE A 270 23.996 5.730 -14.490 1.00 0.00 C ATOM 0 H PHE A 270 23.431 1.620 -9.347 1.00 0.00 H new ATOM 0 HA PHE A 270 25.385 2.632 -11.303 1.00 0.00 H new ATOM 0 HB2 PHE A 270 23.107 4.094 -10.118 1.00 0.00 H new ATOM 0 HB3 PHE A 270 24.651 4.881 -9.863 1.00 0.00 H new ATOM 0 HD1 PHE A 270 22.240 3.750 -12.405 1.00 0.00 H new ATOM 0 HD2 PHE A 270 25.909 5.806 -11.719 1.00 0.00 H new ATOM 0 HE1 PHE A 270 22.165 4.646 -14.690 1.00 0.00 H new ATOM 0 HE2 PHE A 270 25.836 6.703 -14.003 1.00 0.00 H new ATOM 0 HZ PHE A 270 23.964 6.123 -15.495 1.00 0.00 H new ATOM 133 N GLY A 271 25.738 1.670 -8.477 1.00 0.00 N ATOM 134 CA GLY A 271 26.589 1.535 -7.312 1.00 0.00 C ATOM 135 C GLY A 271 26.119 0.437 -6.381 1.00 0.00 C ATOM 136 O GLY A 271 26.786 -0.587 -6.235 1.00 0.00 O ATOM 0 H GLY A 271 25.159 0.855 -8.680 1.00 0.00 H new ATOM 0 HA2 GLY A 271 27.609 1.324 -7.633 1.00 0.00 H new ATOM 0 HA3 GLY A 271 26.614 2.481 -6.771 1.00 0.00 H new ATOM 140 N ARG A 272 24.966 0.652 -5.754 1.00 0.00 N ATOM 141 CA ARG A 272 24.393 -0.322 -4.829 1.00 0.00 C ATOM 142 C ARG A 272 23.459 0.368 -3.845 1.00 0.00 C ATOM 143 O ARG A 272 23.765 0.489 -2.659 1.00 0.00 O ATOM 144 CB ARG A 272 25.497 -1.055 -4.069 1.00 0.00 C ATOM 145 CG ARG A 272 24.999 -1.817 -2.850 1.00 0.00 C ATOM 146 CD ARG A 272 25.953 -2.936 -2.462 1.00 0.00 C ATOM 147 NE ARG A 272 27.351 -2.566 -2.682 1.00 0.00 N ATOM 148 CZ ARG A 272 28.358 -2.960 -1.903 1.00 0.00 C ATOM 149 NH1 ARG A 272 28.133 -3.752 -0.861 1.00 0.00 N ATOM 150 NH2 ARG A 272 29.596 -2.566 -2.171 1.00 0.00 N ATOM 0 H ARG A 272 24.407 1.497 -5.871 1.00 0.00 H new ATOM 0 HA ARG A 272 23.824 -1.049 -5.408 1.00 0.00 H new ATOM 0 HB2 ARG A 272 25.990 -1.753 -4.746 1.00 0.00 H new ATOM 0 HB3 ARG A 272 26.249 -0.332 -3.752 1.00 0.00 H new ATOM 0 HG2 ARG A 272 24.884 -1.129 -2.012 1.00 0.00 H new ATOM 0 HG3 ARG A 272 24.014 -2.234 -3.058 1.00 0.00 H new ATOM 0 HD2 ARG A 272 25.806 -3.190 -1.412 1.00 0.00 H new ATOM 0 HD3 ARG A 272 25.719 -3.829 -3.041 1.00 0.00 H new ATOM 0 HE ARG A 272 27.568 -1.970 -3.481 1.00 0.00 H new ATOM 0 HH11 ARG A 272 27.184 -4.063 -0.652 1.00 0.00 H new ATOM 0 HH12 ARG A 272 28.909 -4.049 -0.269 1.00 0.00 H new ATOM 0 HH21 ARG A 272 29.777 -1.962 -2.973 1.00 0.00 H new ATOM 0 HH22 ARG A 272 30.367 -2.867 -1.575 1.00 0.00 H new ATOM 164 N THR A 273 22.324 0.829 -4.348 1.00 0.00 N ATOM 165 CA THR A 273 21.349 1.518 -3.514 1.00 0.00 C ATOM 166 C THR A 273 22.024 2.634 -2.730 1.00 0.00 C ATOM 167 O THR A 273 21.773 2.813 -1.539 1.00 0.00 O ATOM 168 CB THR A 273 20.683 0.534 -2.556 1.00 0.00 C ATOM 169 OG1 THR A 273 21.654 -0.146 -1.780 1.00 0.00 O ATOM 170 CG2 THR A 273 19.848 -0.510 -3.265 1.00 0.00 C ATOM 0 H THR A 273 22.055 0.739 -5.328 1.00 0.00 H new ATOM 0 HA THR A 273 20.584 1.952 -4.158 1.00 0.00 H new ATOM 0 HB THR A 273 20.029 1.137 -1.926 1.00 0.00 H new ATOM 0 HG1 THR A 273 22.464 0.401 -1.717 1.00 0.00 H new ATOM 0 HG21 THR A 273 19.401 -1.179 -2.530 1.00 0.00 H new ATOM 0 HG22 THR A 273 19.059 -0.019 -3.835 1.00 0.00 H new ATOM 0 HG23 THR A 273 20.481 -1.085 -3.941 1.00 0.00 H new ATOM 178 N GLY A 274 22.890 3.375 -3.410 1.00 0.00 N ATOM 179 CA GLY A 274 23.599 4.461 -2.768 1.00 0.00 C ATOM 180 C GLY A 274 25.102 4.313 -2.886 1.00 0.00 C ATOM 181 O GLY A 274 25.785 5.261 -3.267 1.00 0.00 O ATOM 0 H GLY A 274 23.113 3.242 -4.396 1.00 0.00 H new ATOM 0 HA2 GLY A 274 23.293 5.407 -3.215 1.00 0.00 H new ATOM 0 HA3 GLY A 274 23.321 4.501 -1.715 1.00 0.00 H new ATOM 185 N LEU A 275 25.598 3.115 -2.548 1.00 0.00 N ATOM 186 CA LEU A 275 27.032 2.787 -2.591 1.00 0.00 C ATOM 187 C LEU A 275 27.573 2.497 -1.192 1.00 0.00 C ATOM 188 O LEU A 275 28.348 1.561 -0.996 1.00 0.00 O ATOM 189 CB LEU A 275 27.862 3.902 -3.234 1.00 0.00 C ATOM 190 CG LEU A 275 29.371 3.639 -3.281 1.00 0.00 C ATOM 191 CD1 LEU A 275 29.846 3.471 -4.717 1.00 0.00 C ATOM 192 CD2 LEU A 275 30.127 4.769 -2.598 1.00 0.00 C ATOM 0 H LEU A 275 25.013 2.340 -2.235 1.00 0.00 H new ATOM 0 HA LEU A 275 27.124 1.893 -3.208 1.00 0.00 H new ATOM 0 HB2 LEU A 275 27.504 4.061 -4.251 1.00 0.00 H new ATOM 0 HB3 LEU A 275 27.686 4.828 -2.686 1.00 0.00 H new ATOM 0 HG LEU A 275 29.574 2.711 -2.746 1.00 0.00 H new ATOM 0 HD11 LEU A 275 30.920 3.285 -4.726 1.00 0.00 H new ATOM 0 HD12 LEU A 275 29.328 2.628 -5.175 1.00 0.00 H new ATOM 0 HD13 LEU A 275 29.630 4.379 -5.280 1.00 0.00 H new ATOM 0 HD21 LEU A 275 31.197 4.568 -2.639 1.00 0.00 H new ATOM 0 HD22 LEU A 275 29.914 5.709 -3.107 1.00 0.00 H new ATOM 0 HD23 LEU A 275 29.811 4.841 -1.557 1.00 0.00 H new ATOM 204 N PRO A 276 27.176 3.312 -0.205 1.00 0.00 N ATOM 205 CA PRO A 276 27.618 3.169 1.179 1.00 0.00 C ATOM 206 C PRO A 276 26.761 2.196 1.985 1.00 0.00 C ATOM 207 O PRO A 276 27.266 1.231 2.557 1.00 0.00 O ATOM 208 CB PRO A 276 27.470 4.589 1.722 1.00 0.00 C ATOM 209 CG PRO A 276 26.341 5.187 0.946 1.00 0.00 C ATOM 210 CD PRO A 276 26.266 4.451 -0.371 1.00 0.00 C ATOM 0 HA PRO A 276 28.626 2.760 1.247 1.00 0.00 H new ATOM 0 HB2 PRO A 276 27.254 4.582 2.790 1.00 0.00 H new ATOM 0 HB3 PRO A 276 28.388 5.161 1.586 1.00 0.00 H new ATOM 0 HG2 PRO A 276 25.404 5.091 1.494 1.00 0.00 H new ATOM 0 HG3 PRO A 276 26.507 6.252 0.783 1.00 0.00 H new ATOM 0 HD2 PRO A 276 25.250 4.120 -0.584 1.00 0.00 H new ATOM 0 HD3 PRO A 276 26.574 5.088 -1.200 1.00 0.00 H new ATOM 218 N ASP A 277 25.466 2.469 2.032 1.00 0.00 N ATOM 219 CA ASP A 277 24.525 1.636 2.774 1.00 0.00 C ATOM 220 C ASP A 277 25.154 1.107 4.057 1.00 0.00 C ATOM 221 O ASP A 277 25.045 -0.078 4.371 1.00 0.00 O ATOM 222 CB ASP A 277 24.037 0.469 1.920 1.00 0.00 C ATOM 223 CG ASP A 277 24.406 0.616 0.456 1.00 0.00 C ATOM 224 OD1 ASP A 277 23.961 1.600 -0.172 1.00 0.00 O ATOM 225 OD2 ASP A 277 25.136 -0.255 -0.062 1.00 0.00 O ATOM 0 H ASP A 277 25.038 3.267 1.562 1.00 0.00 H new ATOM 0 HA ASP A 277 23.672 2.262 3.035 1.00 0.00 H new ATOM 0 HB2 ASP A 277 24.460 -0.459 2.305 1.00 0.00 H new ATOM 0 HB3 ASP A 277 22.954 0.387 2.010 1.00 0.00 H new ATOM 230 N LEU A 278 25.802 1.995 4.799 1.00 0.00 N ATOM 231 CA LEU A 278 26.441 1.624 6.057 1.00 0.00 C ATOM 232 C LEU A 278 25.448 1.728 7.206 1.00 0.00 C ATOM 233 O LEU A 278 25.691 1.218 8.300 1.00 0.00 O ATOM 234 CB LEU A 278 27.652 2.519 6.333 1.00 0.00 C ATOM 235 CG LEU A 278 28.061 2.614 7.803 1.00 0.00 C ATOM 236 CD1 LEU A 278 29.549 2.902 7.927 1.00 0.00 C ATOM 237 CD2 LEU A 278 27.248 3.685 8.516 1.00 0.00 C ATOM 0 H LEU A 278 25.900 2.980 4.552 1.00 0.00 H new ATOM 0 HA LEU A 278 26.782 0.592 5.974 1.00 0.00 H new ATOM 0 HB2 LEU A 278 28.500 2.146 5.759 1.00 0.00 H new ATOM 0 HB3 LEU A 278 27.435 3.522 5.966 1.00 0.00 H new ATOM 0 HG LEU A 278 27.857 1.655 8.278 1.00 0.00 H new ATOM 0 HD11 LEU A 278 29.821 2.966 8.981 1.00 0.00 H new ATOM 0 HD12 LEU A 278 30.116 2.100 7.454 1.00 0.00 H new ATOM 0 HD13 LEU A 278 29.779 3.847 7.435 1.00 0.00 H new ATOM 0 HD21 LEU A 278 27.553 3.738 9.561 1.00 0.00 H new ATOM 0 HD22 LEU A 278 27.419 4.650 8.039 1.00 0.00 H new ATOM 0 HD23 LEU A 278 26.188 3.435 8.460 1.00 0.00 H new ATOM 249 N SER A 279 24.326 2.387 6.947 1.00 0.00 N ATOM 250 CA SER A 279 23.292 2.554 7.956 1.00 0.00 C ATOM 251 C SER A 279 22.935 1.214 8.587 1.00 0.00 C ATOM 252 O SER A 279 22.388 1.163 9.689 1.00 0.00 O ATOM 253 CB SER A 279 22.044 3.189 7.340 1.00 0.00 C ATOM 254 OG SER A 279 21.935 4.555 7.700 1.00 0.00 O ATOM 0 H SER A 279 24.110 2.814 6.046 1.00 0.00 H new ATOM 0 HA SER A 279 23.678 3.214 8.733 1.00 0.00 H new ATOM 0 HB2 SER A 279 22.084 3.098 6.255 1.00 0.00 H new ATOM 0 HB3 SER A 279 21.157 2.650 7.672 1.00 0.00 H new ATOM 0 HG SER A 279 21.130 4.938 7.292 1.00 0.00 H new ATOM 260 N SER A 280 23.242 0.127 7.883 1.00 0.00 N ATOM 261 CA SER A 280 22.941 -1.207 8.387 1.00 0.00 C ATOM 262 C SER A 280 24.157 -2.129 8.297 1.00 0.00 C ATOM 263 O SER A 280 24.351 -2.994 9.150 1.00 0.00 O ATOM 264 CB SER A 280 21.768 -1.811 7.612 1.00 0.00 C ATOM 265 OG SER A 280 20.700 -2.146 8.482 1.00 0.00 O ATOM 0 H SER A 280 23.695 0.144 6.969 1.00 0.00 H new ATOM 0 HA SER A 280 22.669 -1.112 9.438 1.00 0.00 H new ATOM 0 HB2 SER A 280 21.420 -1.102 6.861 1.00 0.00 H new ATOM 0 HB3 SER A 280 22.100 -2.702 7.079 1.00 0.00 H new ATOM 0 HG SER A 280 19.962 -2.528 7.962 1.00 0.00 H new ATOM 271 N MET A 281 24.972 -1.947 7.260 1.00 0.00 N ATOM 272 CA MET A 281 26.161 -2.775 7.072 1.00 0.00 C ATOM 273 C MET A 281 27.181 -2.496 8.164 1.00 0.00 C ATOM 274 O MET A 281 28.086 -3.295 8.403 1.00 0.00 O ATOM 275 CB MET A 281 26.781 -2.521 5.695 1.00 0.00 C ATOM 276 CG MET A 281 25.922 -3.005 4.536 1.00 0.00 C ATOM 277 SD MET A 281 25.031 -4.529 4.909 1.00 0.00 S ATOM 278 CE MET A 281 23.758 -3.917 6.009 1.00 0.00 C ATOM 0 H MET A 281 24.832 -1.238 6.541 1.00 0.00 H new ATOM 0 HA MET A 281 25.862 -3.821 7.132 1.00 0.00 H new ATOM 0 HB2 MET A 281 26.962 -1.452 5.580 1.00 0.00 H new ATOM 0 HB3 MET A 281 27.751 -3.015 5.647 1.00 0.00 H new ATOM 0 HG2 MET A 281 25.206 -2.227 4.272 1.00 0.00 H new ATOM 0 HG3 MET A 281 26.555 -3.165 3.663 1.00 0.00 H new ATOM 0 HE1 MET A 281 22.800 -4.363 5.741 1.00 0.00 H new ATOM 0 HE2 MET A 281 24.007 -4.182 7.037 1.00 0.00 H new ATOM 0 HE3 MET A 281 23.690 -2.833 5.920 1.00 0.00 H new ATOM 288 N THR A 282 27.004 -1.357 8.821 1.00 0.00 N ATOM 289 CA THR A 282 27.882 -0.928 9.911 1.00 0.00 C ATOM 290 C THR A 282 29.251 -1.608 9.859 1.00 0.00 C ATOM 291 O THR A 282 30.179 -1.114 9.219 1.00 0.00 O ATOM 292 CB THR A 282 27.218 -1.205 11.262 1.00 0.00 C ATOM 293 OG1 THR A 282 28.192 -1.357 12.279 1.00 0.00 O ATOM 294 CG2 THR A 282 26.360 -2.451 11.260 1.00 0.00 C ATOM 0 H THR A 282 26.249 -0.702 8.616 1.00 0.00 H new ATOM 0 HA THR A 282 28.043 0.143 9.790 1.00 0.00 H new ATOM 0 HB THR A 282 26.580 -0.342 11.453 1.00 0.00 H new ATOM 0 HG1 THR A 282 27.747 -1.532 13.135 1.00 0.00 H new ATOM 0 HG21 THR A 282 25.918 -2.590 12.247 1.00 0.00 H new ATOM 0 HG22 THR A 282 25.567 -2.346 10.519 1.00 0.00 H new ATOM 0 HG23 THR A 282 26.975 -3.316 11.012 1.00 0.00 H new ATOM 302 N GLU A 283 29.367 -2.740 10.550 1.00 0.00 N ATOM 303 CA GLU A 283 30.615 -3.491 10.608 1.00 0.00 C ATOM 304 C GLU A 283 31.082 -3.930 9.227 1.00 0.00 C ATOM 305 O GLU A 283 32.200 -3.628 8.823 1.00 0.00 O ATOM 306 CB GLU A 283 30.451 -4.717 11.508 1.00 0.00 C ATOM 307 CG GLU A 283 30.115 -4.373 12.949 1.00 0.00 C ATOM 308 CD GLU A 283 28.895 -5.115 13.457 1.00 0.00 C ATOM 309 OE1 GLU A 283 28.694 -6.278 13.048 1.00 0.00 O ATOM 310 OE2 GLU A 283 28.141 -4.534 14.265 1.00 0.00 O ATOM 0 H GLU A 283 28.603 -3.159 11.081 1.00 0.00 H new ATOM 0 HA GLU A 283 31.374 -2.827 11.022 1.00 0.00 H new ATOM 0 HB2 GLU A 283 29.664 -5.353 11.102 1.00 0.00 H new ATOM 0 HB3 GLU A 283 31.373 -5.298 11.487 1.00 0.00 H new ATOM 0 HG2 GLU A 283 30.969 -4.609 13.583 1.00 0.00 H new ATOM 0 HG3 GLU A 283 29.943 -3.300 13.032 1.00 0.00 H new ATOM 317 N GLU A 284 30.232 -4.661 8.517 1.00 0.00 N ATOM 318 CA GLU A 284 30.576 -5.159 7.188 1.00 0.00 C ATOM 319 C GLU A 284 30.794 -4.019 6.190 1.00 0.00 C ATOM 320 O GLU A 284 31.379 -4.226 5.125 1.00 0.00 O ATOM 321 CB GLU A 284 29.484 -6.101 6.677 1.00 0.00 C ATOM 322 CG GLU A 284 28.338 -5.383 5.984 1.00 0.00 C ATOM 323 CD GLU A 284 27.354 -6.341 5.340 1.00 0.00 C ATOM 324 OE1 GLU A 284 26.519 -6.916 6.070 1.00 0.00 O ATOM 325 OE2 GLU A 284 27.415 -6.514 4.104 1.00 0.00 O ATOM 0 H GLU A 284 29.300 -4.923 8.837 1.00 0.00 H new ATOM 0 HA GLU A 284 31.515 -5.706 7.276 1.00 0.00 H new ATOM 0 HB2 GLU A 284 29.927 -6.815 5.983 1.00 0.00 H new ATOM 0 HB3 GLU A 284 29.089 -6.675 7.515 1.00 0.00 H new ATOM 0 HG2 GLU A 284 27.813 -4.761 6.709 1.00 0.00 H new ATOM 0 HG3 GLU A 284 28.740 -4.715 5.223 1.00 0.00 H new ATOM 332 N GLU A 285 30.328 -2.820 6.530 1.00 0.00 N ATOM 333 CA GLU A 285 30.487 -1.665 5.649 1.00 0.00 C ATOM 334 C GLU A 285 31.824 -0.977 5.904 1.00 0.00 C ATOM 335 O GLU A 285 32.444 -0.445 4.985 1.00 0.00 O ATOM 336 CB GLU A 285 29.337 -0.671 5.839 1.00 0.00 C ATOM 337 CG GLU A 285 28.704 -0.214 4.531 1.00 0.00 C ATOM 338 CD GLU A 285 29.728 0.122 3.465 1.00 0.00 C ATOM 339 OE1 GLU A 285 30.350 -0.814 2.921 1.00 0.00 O ATOM 340 OE2 GLU A 285 29.905 1.324 3.172 1.00 0.00 O ATOM 0 H GLU A 285 29.840 -2.623 7.404 1.00 0.00 H new ATOM 0 HA GLU A 285 30.467 -2.022 4.619 1.00 0.00 H new ATOM 0 HB2 GLU A 285 28.570 -1.130 6.463 1.00 0.00 H new ATOM 0 HB3 GLU A 285 29.707 0.201 6.378 1.00 0.00 H new ATOM 0 HG2 GLU A 285 28.044 -0.998 4.159 1.00 0.00 H new ATOM 0 HG3 GLU A 285 28.083 0.662 4.720 1.00 0.00 H new ATOM 347 N GLN A 286 32.275 -1.012 7.156 1.00 0.00 N ATOM 348 CA GLN A 286 33.552 -0.413 7.521 1.00 0.00 C ATOM 349 C GLN A 286 34.678 -1.381 7.181 1.00 0.00 C ATOM 350 O GLN A 286 35.809 -0.978 6.896 1.00 0.00 O ATOM 351 CB GLN A 286 33.581 -0.069 9.013 1.00 0.00 C ATOM 352 CG GLN A 286 32.524 0.944 9.424 1.00 0.00 C ATOM 353 CD GLN A 286 31.822 0.563 10.713 1.00 0.00 C ATOM 354 OE1 GLN A 286 32.455 0.117 11.670 1.00 0.00 O ATOM 355 NE2 GLN A 286 30.506 0.736 10.742 1.00 0.00 N ATOM 0 H GLN A 286 31.775 -1.448 7.931 1.00 0.00 H new ATOM 0 HA GLN A 286 33.685 0.511 6.958 1.00 0.00 H new ATOM 0 HB2 GLN A 286 33.441 -0.983 9.591 1.00 0.00 H new ATOM 0 HB3 GLN A 286 34.566 0.322 9.268 1.00 0.00 H new ATOM 0 HG2 GLN A 286 32.990 1.922 9.544 1.00 0.00 H new ATOM 0 HG3 GLN A 286 31.787 1.038 8.627 1.00 0.00 H new ATOM 0 HE21 GLN A 286 30.023 1.109 9.925 1.00 0.00 H new ATOM 0 HE22 GLN A 286 29.978 0.496 11.581 1.00 0.00 H new ATOM 364 N ILE A 287 34.338 -2.665 7.178 1.00 0.00 N ATOM 365 CA ILE A 287 35.284 -3.709 6.840 1.00 0.00 C ATOM 366 C ILE A 287 35.418 -3.768 5.337 1.00 0.00 C ATOM 367 O ILE A 287 36.512 -3.919 4.794 1.00 0.00 O ATOM 368 CB ILE A 287 34.833 -5.080 7.372 1.00 0.00 C ATOM 369 CG1 ILE A 287 33.697 -5.650 6.524 1.00 0.00 C ATOM 370 CG2 ILE A 287 34.411 -4.967 8.826 1.00 0.00 C ATOM 371 CD1 ILE A 287 34.154 -6.261 5.216 1.00 0.00 C ATOM 0 H ILE A 287 33.404 -3.005 7.409 1.00 0.00 H new ATOM 0 HA ILE A 287 36.242 -3.475 7.305 1.00 0.00 H new ATOM 0 HB ILE A 287 35.677 -5.767 7.306 1.00 0.00 H new ATOM 0 HG12 ILE A 287 33.170 -6.408 7.103 1.00 0.00 H new ATOM 0 HG13 ILE A 287 32.981 -4.856 6.312 1.00 0.00 H new ATOM 0 HG21 ILE A 287 34.094 -5.944 9.190 1.00 0.00 H new ATOM 0 HG22 ILE A 287 35.252 -4.613 9.422 1.00 0.00 H new ATOM 0 HG23 ILE A 287 33.584 -4.263 8.911 1.00 0.00 H new ATOM 0 HD11 ILE A 287 33.290 -6.643 4.672 1.00 0.00 H new ATOM 0 HD12 ILE A 287 34.655 -5.502 4.615 1.00 0.00 H new ATOM 0 HD13 ILE A 287 34.846 -7.078 5.418 1.00 0.00 H new ATOM 383 N ALA A 288 34.284 -3.598 4.675 1.00 0.00 N ATOM 384 CA ALA A 288 34.241 -3.576 3.231 1.00 0.00 C ATOM 385 C ALA A 288 35.007 -2.357 2.753 1.00 0.00 C ATOM 386 O ALA A 288 35.783 -2.417 1.795 1.00 0.00 O ATOM 387 CB ALA A 288 32.794 -3.536 2.754 1.00 0.00 C ATOM 0 H ALA A 288 33.377 -3.473 5.124 1.00 0.00 H new ATOM 0 HA ALA A 288 34.699 -4.476 2.821 1.00 0.00 H new ATOM 0 HB1 ALA A 288 32.770 -3.520 1.664 1.00 0.00 H new ATOM 0 HB2 ALA A 288 32.267 -4.419 3.115 1.00 0.00 H new ATOM 0 HB3 ALA A 288 32.308 -2.640 3.141 1.00 0.00 H new ATOM 393 N TYR A 289 34.809 -1.252 3.465 1.00 0.00 N ATOM 394 CA TYR A 289 35.498 -0.014 3.150 1.00 0.00 C ATOM 395 C TYR A 289 36.991 -0.278 3.091 1.00 0.00 C ATOM 396 O TYR A 289 37.650 0.011 2.091 1.00 0.00 O ATOM 397 CB TYR A 289 35.204 1.048 4.208 1.00 0.00 C ATOM 398 CG TYR A 289 33.920 1.816 3.984 1.00 0.00 C ATOM 399 CD1 TYR A 289 33.438 2.058 2.703 1.00 0.00 C ATOM 400 CD2 TYR A 289 33.192 2.304 5.061 1.00 0.00 C ATOM 401 CE1 TYR A 289 32.265 2.761 2.505 1.00 0.00 C ATOM 402 CE2 TYR A 289 32.020 3.009 4.871 1.00 0.00 C ATOM 403 CZ TYR A 289 31.562 3.236 3.591 1.00 0.00 C ATOM 404 OH TYR A 289 30.396 3.938 3.397 1.00 0.00 O ATOM 0 H TYR A 289 34.176 -1.193 4.263 1.00 0.00 H new ATOM 0 HA TYR A 289 35.147 0.353 2.186 1.00 0.00 H new ATOM 0 HB2 TYR A 289 35.159 0.567 5.185 1.00 0.00 H new ATOM 0 HB3 TYR A 289 36.034 1.753 4.237 1.00 0.00 H new ATOM 0 HD1 TYR A 289 33.989 1.691 1.849 1.00 0.00 H new ATOM 0 HD2 TYR A 289 33.549 2.129 6.065 1.00 0.00 H new ATOM 0 HE1 TYR A 289 31.901 2.937 1.504 1.00 0.00 H new ATOM 0 HE2 TYR A 289 31.466 3.380 5.720 1.00 0.00 H new ATOM 0 HH TYR A 289 29.660 3.311 3.237 1.00 0.00 H new ATOM 414 N ALA A 290 37.515 -0.858 4.167 1.00 0.00 N ATOM 415 CA ALA A 290 38.926 -1.194 4.231 1.00 0.00 C ATOM 416 C ALA A 290 39.279 -2.136 3.091 1.00 0.00 C ATOM 417 O ALA A 290 40.383 -2.089 2.547 1.00 0.00 O ATOM 418 CB ALA A 290 39.259 -1.825 5.574 1.00 0.00 C ATOM 0 H ALA A 290 36.982 -1.103 5.002 1.00 0.00 H new ATOM 0 HA ALA A 290 39.516 -0.283 4.130 1.00 0.00 H new ATOM 0 HB1 ALA A 290 40.320 -2.071 5.607 1.00 0.00 H new ATOM 0 HB2 ALA A 290 39.024 -1.123 6.374 1.00 0.00 H new ATOM 0 HB3 ALA A 290 38.671 -2.734 5.705 1.00 0.00 H new ATOM 424 N MET A 291 38.318 -2.983 2.722 1.00 0.00 N ATOM 425 CA MET A 291 38.512 -3.930 1.631 1.00 0.00 C ATOM 426 C MET A 291 38.940 -3.187 0.371 1.00 0.00 C ATOM 427 O MET A 291 39.776 -3.664 -0.396 1.00 0.00 O ATOM 428 CB MET A 291 37.219 -4.735 1.385 1.00 0.00 C ATOM 429 CG MET A 291 36.439 -4.338 0.131 1.00 0.00 C ATOM 430 SD MET A 291 34.653 -4.462 0.347 1.00 0.00 S ATOM 431 CE MET A 291 34.134 -2.805 -0.107 1.00 0.00 C ATOM 0 H MET A 291 37.400 -3.031 3.164 1.00 0.00 H new ATOM 0 HA MET A 291 39.300 -4.633 1.902 1.00 0.00 H new ATOM 0 HB2 MET A 291 37.475 -5.792 1.316 1.00 0.00 H new ATOM 0 HB3 MET A 291 36.567 -4.621 2.251 1.00 0.00 H new ATOM 0 HG2 MET A 291 36.697 -3.315 -0.142 1.00 0.00 H new ATOM 0 HG3 MET A 291 36.745 -4.976 -0.698 1.00 0.00 H new ATOM 0 HE1 MET A 291 33.624 -2.340 0.736 1.00 0.00 H new ATOM 0 HE2 MET A 291 35.007 -2.211 -0.376 1.00 0.00 H new ATOM 0 HE3 MET A 291 33.455 -2.857 -0.958 1.00 0.00 H new ATOM 441 N GLN A 292 38.357 -2.009 0.173 1.00 0.00 N ATOM 442 CA GLN A 292 38.666 -1.182 -0.986 1.00 0.00 C ATOM 443 C GLN A 292 40.018 -0.499 -0.815 1.00 0.00 C ATOM 444 O GLN A 292 40.795 -0.392 -1.763 1.00 0.00 O ATOM 445 CB GLN A 292 37.570 -0.137 -1.195 1.00 0.00 C ATOM 446 CG GLN A 292 38.007 1.048 -2.041 1.00 0.00 C ATOM 447 CD GLN A 292 36.832 1.778 -2.662 1.00 0.00 C ATOM 448 OE1 GLN A 292 36.076 1.206 -3.446 1.00 0.00 O ATOM 449 NE2 GLN A 292 36.672 3.048 -2.311 1.00 0.00 N ATOM 0 H GLN A 292 37.665 -1.605 0.804 1.00 0.00 H new ATOM 0 HA GLN A 292 38.714 -1.825 -1.865 1.00 0.00 H new ATOM 0 HB2 GLN A 292 36.712 -0.614 -1.669 1.00 0.00 H new ATOM 0 HB3 GLN A 292 37.236 0.226 -0.223 1.00 0.00 H new ATOM 0 HG2 GLN A 292 38.577 1.742 -1.423 1.00 0.00 H new ATOM 0 HG3 GLN A 292 38.674 0.701 -2.830 1.00 0.00 H new ATOM 0 HE21 GLN A 292 37.323 3.482 -1.657 1.00 0.00 H new ATOM 0 HE22 GLN A 292 35.898 3.590 -2.695 1.00 0.00 H new ATOM 458 N MET A 293 40.295 -0.039 0.402 1.00 0.00 N ATOM 459 CA MET A 293 41.558 0.629 0.692 1.00 0.00 C ATOM 460 C MET A 293 42.731 -0.216 0.201 1.00 0.00 C ATOM 461 O MET A 293 43.667 0.297 -0.412 1.00 0.00 O ATOM 462 CB MET A 293 41.672 0.916 2.201 1.00 0.00 C ATOM 463 CG MET A 293 42.859 0.253 2.889 1.00 0.00 C ATOM 464 SD MET A 293 44.432 1.005 2.429 1.00 0.00 S ATOM 465 CE MET A 293 44.811 1.937 3.911 1.00 0.00 C ATOM 0 H MET A 293 39.664 -0.117 1.200 1.00 0.00 H new ATOM 0 HA MET A 293 41.586 1.581 0.162 1.00 0.00 H new ATOM 0 HB2 MET A 293 41.741 1.994 2.347 1.00 0.00 H new ATOM 0 HB3 MET A 293 40.755 0.586 2.690 1.00 0.00 H new ATOM 0 HG2 MET A 293 42.731 0.318 3.970 1.00 0.00 H new ATOM 0 HG3 MET A 293 42.878 -0.806 2.633 1.00 0.00 H new ATOM 0 HE1 MET A 293 45.759 2.459 3.780 1.00 0.00 H new ATOM 0 HE2 MET A 293 44.019 2.663 4.097 1.00 0.00 H new ATOM 0 HE3 MET A 293 44.886 1.257 4.759 1.00 0.00 H new ATOM 475 N SER A 294 42.669 -1.515 0.474 1.00 0.00 N ATOM 476 CA SER A 294 43.721 -2.434 0.059 1.00 0.00 C ATOM 477 C SER A 294 43.517 -2.871 -1.388 1.00 0.00 C ATOM 478 O SER A 294 44.477 -3.165 -2.101 1.00 0.00 O ATOM 479 CB SER A 294 43.746 -3.659 0.974 1.00 0.00 C ATOM 480 OG SER A 294 44.259 -3.331 2.254 1.00 0.00 O ATOM 0 H SER A 294 41.901 -1.955 0.981 1.00 0.00 H new ATOM 0 HA SER A 294 44.676 -1.914 0.134 1.00 0.00 H new ATOM 0 HB2 SER A 294 42.738 -4.061 1.075 1.00 0.00 H new ATOM 0 HB3 SER A 294 44.358 -4.441 0.523 1.00 0.00 H new ATOM 0 HG SER A 294 44.263 -4.131 2.820 1.00 0.00 H new ATOM 486 N LEU A 295 42.258 -2.909 -1.816 1.00 0.00 N ATOM 487 CA LEU A 295 41.922 -3.309 -3.178 1.00 0.00 C ATOM 488 C LEU A 295 42.864 -4.400 -3.675 1.00 0.00 C ATOM 489 O LEU A 295 43.175 -4.473 -4.864 1.00 0.00 O ATOM 490 CB LEU A 295 41.978 -2.097 -4.113 1.00 0.00 C ATOM 491 CG LEU A 295 41.412 -2.332 -5.515 1.00 0.00 C ATOM 492 CD1 LEU A 295 40.331 -1.311 -5.832 1.00 0.00 C ATOM 493 CD2 LEU A 295 42.522 -2.274 -6.553 1.00 0.00 C ATOM 0 H LEU A 295 41.453 -2.667 -1.238 1.00 0.00 H new ATOM 0 HA LEU A 295 40.908 -3.710 -3.175 1.00 0.00 H new ATOM 0 HB2 LEU A 295 41.431 -1.275 -3.650 1.00 0.00 H new ATOM 0 HB3 LEU A 295 43.016 -1.777 -4.206 1.00 0.00 H new ATOM 0 HG LEU A 295 40.965 -3.326 -5.544 1.00 0.00 H new ATOM 0 HD11 LEU A 295 39.940 -1.494 -6.833 1.00 0.00 H new ATOM 0 HD12 LEU A 295 39.523 -1.399 -5.105 1.00 0.00 H new ATOM 0 HD13 LEU A 295 40.754 -0.307 -5.785 1.00 0.00 H new ATOM 0 HD21 LEU A 295 42.102 -2.443 -7.545 1.00 0.00 H new ATOM 0 HD22 LEU A 295 42.998 -1.294 -6.523 1.00 0.00 H new ATOM 0 HD23 LEU A 295 43.263 -3.044 -6.337 1.00 0.00 H new ATOM 505 N GLN A 296 43.313 -5.247 -2.755 1.00 0.00 N ATOM 506 CA GLN A 296 44.219 -6.338 -3.096 1.00 0.00 C ATOM 507 C GLN A 296 44.087 -7.485 -2.100 1.00 0.00 C ATOM 508 O GLN A 296 45.043 -8.223 -1.858 1.00 0.00 O ATOM 509 CB GLN A 296 45.664 -5.838 -3.129 1.00 0.00 C ATOM 510 CG GLN A 296 46.221 -5.686 -4.534 1.00 0.00 C ATOM 511 CD GLN A 296 47.733 -5.581 -4.551 1.00 0.00 C ATOM 512 OE1 GLN A 296 48.391 -5.748 -3.524 1.00 0.00 O ATOM 513 NE2 GLN A 296 48.294 -5.303 -5.723 1.00 0.00 N ATOM 0 H GLN A 296 43.064 -5.199 -1.767 1.00 0.00 H new ATOM 0 HA GLN A 296 43.948 -6.707 -4.085 1.00 0.00 H new ATOM 0 HB2 GLN A 296 45.719 -4.876 -2.619 1.00 0.00 H new ATOM 0 HB3 GLN A 296 46.293 -6.531 -2.571 1.00 0.00 H new ATOM 0 HG2 GLN A 296 45.913 -6.539 -5.138 1.00 0.00 H new ATOM 0 HG3 GLN A 296 45.793 -4.797 -4.997 1.00 0.00 H new ATOM 0 HE21 GLN A 296 47.711 -5.172 -6.549 1.00 0.00 H new ATOM 0 HE22 GLN A 296 49.308 -5.220 -5.796 1.00 0.00 H new ATOM 522 N GLY A 297 42.897 -7.631 -1.526 1.00 0.00 N ATOM 523 CA GLY A 297 42.662 -8.691 -0.564 1.00 0.00 C ATOM 524 C GLY A 297 41.187 -8.931 -0.312 1.00 0.00 C ATOM 525 O GLY A 297 40.758 -10.071 -0.131 1.00 0.00 O ATOM 0 H GLY A 297 42.091 -7.034 -1.710 1.00 0.00 H new ATOM 0 HA2 GLY A 297 43.120 -9.612 -0.924 1.00 0.00 H new ATOM 0 HA3 GLY A 297 43.151 -8.438 0.377 1.00 0.00 H new ATOM 529 N ALA A 298 40.408 -7.855 -0.301 1.00 0.00 N ATOM 530 CA ALA A 298 38.972 -7.953 -0.067 1.00 0.00 C ATOM 531 C ALA A 298 38.668 -8.176 1.409 1.00 0.00 C ATOM 532 O ALA A 298 37.534 -8.478 1.781 1.00 0.00 O ATOM 533 CB ALA A 298 38.377 -9.075 -0.905 1.00 0.00 C ATOM 0 H ALA A 298 40.747 -6.905 -0.451 1.00 0.00 H new ATOM 0 HA ALA A 298 38.516 -7.009 -0.365 1.00 0.00 H new ATOM 0 HB1 ALA A 298 37.304 -9.137 -0.721 1.00 0.00 H new ATOM 0 HB2 ALA A 298 38.553 -8.872 -1.962 1.00 0.00 H new ATOM 0 HB3 ALA A 298 38.847 -10.020 -0.634 1.00 0.00 H new ATOM 539 N GLU A 299 39.689 -8.028 2.248 1.00 0.00 N ATOM 540 CA GLU A 299 39.530 -8.214 3.686 1.00 0.00 C ATOM 541 C GLU A 299 39.664 -9.686 4.060 1.00 0.00 C ATOM 542 O GLU A 299 40.556 -10.066 4.820 1.00 0.00 O ATOM 543 CB GLU A 299 38.170 -7.681 4.142 1.00 0.00 C ATOM 544 CG GLU A 299 38.214 -6.959 5.479 1.00 0.00 C ATOM 545 CD GLU A 299 39.098 -5.728 5.447 1.00 0.00 C ATOM 546 OE1 GLU A 299 39.668 -5.434 4.375 1.00 0.00 O ATOM 547 OE2 GLU A 299 39.221 -5.057 6.493 1.00 0.00 O ATOM 0 H GLU A 299 40.635 -7.780 1.957 1.00 0.00 H new ATOM 0 HA GLU A 299 40.319 -7.656 4.190 1.00 0.00 H new ATOM 0 HB2 GLU A 299 37.784 -7.000 3.384 1.00 0.00 H new ATOM 0 HB3 GLU A 299 37.468 -8.512 4.211 1.00 0.00 H new ATOM 0 HG2 GLU A 299 37.203 -6.669 5.765 1.00 0.00 H new ATOM 0 HG3 GLU A 299 38.578 -7.643 6.246 1.00 0.00 H new ATOM 554 N PHE A 300 38.774 -10.511 3.520 1.00 0.00 N ATOM 555 CA PHE A 300 38.790 -11.944 3.795 1.00 0.00 C ATOM 556 C PHE A 300 40.156 -12.545 3.477 1.00 0.00 C ATOM 557 O PHE A 300 40.824 -13.092 4.354 1.00 0.00 O ATOM 558 CB PHE A 300 37.709 -12.651 2.976 1.00 0.00 C ATOM 559 CG PHE A 300 36.339 -12.572 3.588 1.00 0.00 C ATOM 560 CD1 PHE A 300 35.932 -11.433 4.264 1.00 0.00 C ATOM 561 CD2 PHE A 300 35.458 -13.637 3.484 1.00 0.00 C ATOM 562 CE1 PHE A 300 34.672 -11.358 4.828 1.00 0.00 C ATOM 563 CE2 PHE A 300 34.197 -13.567 4.045 1.00 0.00 C ATOM 564 CZ PHE A 300 33.803 -12.427 4.717 1.00 0.00 C ATOM 0 H PHE A 300 38.031 -10.212 2.888 1.00 0.00 H new ATOM 0 HA PHE A 300 38.588 -12.087 4.856 1.00 0.00 H new ATOM 0 HB2 PHE A 300 37.677 -12.213 1.978 1.00 0.00 H new ATOM 0 HB3 PHE A 300 37.984 -13.699 2.856 1.00 0.00 H new ATOM 0 HD1 PHE A 300 36.607 -10.594 4.351 1.00 0.00 H new ATOM 0 HD2 PHE A 300 35.760 -14.531 2.959 1.00 0.00 H new ATOM 0 HE1 PHE A 300 34.367 -10.466 5.354 1.00 0.00 H new ATOM 0 HE2 PHE A 300 33.520 -14.404 3.958 1.00 0.00 H new ATOM 0 HZ PHE A 300 32.817 -12.371 5.155 1.00 0.00 H new ATOM 574 N GLY A 301 40.561 -12.442 2.216 1.00 0.00 N ATOM 575 CA GLY A 301 41.842 -12.982 1.804 1.00 0.00 C ATOM 576 C GLY A 301 41.714 -14.367 1.200 1.00 0.00 C ATOM 577 O GLY A 301 41.674 -15.364 1.921 1.00 0.00 O ATOM 0 H GLY A 301 40.025 -11.994 1.473 1.00 0.00 H new ATOM 0 HA2 GLY A 301 42.300 -12.311 1.077 1.00 0.00 H new ATOM 0 HA3 GLY A 301 42.510 -13.023 2.664 1.00 0.00 H new ATOM 581 N GLN A 302 41.641 -14.428 -0.124 1.00 0.00 N ATOM 582 CA GLN A 302 41.508 -15.699 -0.826 1.00 0.00 C ATOM 583 C GLN A 302 42.859 -16.395 -0.967 1.00 0.00 C ATOM 584 O GLN A 302 43.100 -17.433 -0.351 1.00 0.00 O ATOM 585 CB GLN A 302 40.888 -15.480 -2.207 1.00 0.00 C ATOM 586 CG GLN A 302 39.798 -16.483 -2.551 1.00 0.00 C ATOM 587 CD GLN A 302 38.770 -16.631 -1.445 1.00 0.00 C ATOM 588 OE1 GLN A 302 38.911 -17.474 -0.560 1.00 0.00 O ATOM 589 NE2 GLN A 302 37.728 -15.809 -1.493 1.00 0.00 N ATOM 0 H GLN A 302 41.672 -13.611 -0.734 1.00 0.00 H new ATOM 0 HA GLN A 302 40.853 -16.340 -0.236 1.00 0.00 H new ATOM 0 HB2 GLN A 302 40.472 -14.474 -2.254 1.00 0.00 H new ATOM 0 HB3 GLN A 302 41.673 -15.536 -2.961 1.00 0.00 H new ATOM 0 HG2 GLN A 302 39.298 -16.170 -3.467 1.00 0.00 H new ATOM 0 HG3 GLN A 302 40.253 -17.453 -2.752 1.00 0.00 H new ATOM 0 HE21 GLN A 302 37.652 -15.125 -2.246 1.00 0.00 H new ATOM 0 HE22 GLN A 302 37.003 -15.862 -0.777 1.00 0.00 H new ATOM 598 N ALA A 303 43.734 -15.822 -1.787 1.00 0.00 N ATOM 599 CA ALA A 303 45.057 -16.394 -2.014 1.00 0.00 C ATOM 600 C ALA A 303 46.143 -15.588 -1.308 1.00 0.00 C ATOM 601 O ALA A 303 47.329 -15.899 -1.419 1.00 0.00 O ATOM 602 CB ALA A 303 45.347 -16.477 -3.505 1.00 0.00 C ATOM 0 H ALA A 303 43.551 -14.963 -2.305 1.00 0.00 H new ATOM 0 HA ALA A 303 45.062 -17.400 -1.594 1.00 0.00 H new ATOM 0 HB1 ALA A 303 46.337 -16.906 -3.660 1.00 0.00 H new ATOM 0 HB2 ALA A 303 44.599 -17.107 -3.987 1.00 0.00 H new ATOM 0 HB3 ALA A 303 45.312 -15.478 -3.939 1.00 0.00 H new ATOM 608 N GLU A 304 45.733 -14.552 -0.583 1.00 0.00 N ATOM 609 CA GLU A 304 46.677 -13.706 0.138 1.00 0.00 C ATOM 610 C GLU A 304 47.688 -13.082 -0.819 1.00 0.00 C ATOM 611 O GLU A 304 48.890 -13.326 -0.714 1.00 0.00 O ATOM 612 CB GLU A 304 47.407 -14.520 1.207 1.00 0.00 C ATOM 613 CG GLU A 304 46.541 -14.870 2.405 1.00 0.00 C ATOM 614 CD GLU A 304 47.264 -15.743 3.413 1.00 0.00 C ATOM 615 OE1 GLU A 304 48.484 -15.548 3.599 1.00 0.00 O ATOM 616 OE2 GLU A 304 46.610 -16.620 4.016 1.00 0.00 O ATOM 0 H GLU A 304 44.756 -14.279 -0.479 1.00 0.00 H new ATOM 0 HA GLU A 304 46.116 -12.905 0.619 1.00 0.00 H new ATOM 0 HB2 GLU A 304 47.780 -15.441 0.758 1.00 0.00 H new ATOM 0 HB3 GLU A 304 48.275 -13.957 1.550 1.00 0.00 H new ATOM 0 HG2 GLU A 304 46.215 -13.952 2.893 1.00 0.00 H new ATOM 0 HG3 GLU A 304 45.644 -15.385 2.062 1.00 0.00 H new ATOM 623 N SER A 305 47.193 -12.278 -1.753 1.00 0.00 N ATOM 624 CA SER A 305 48.053 -11.620 -2.730 1.00 0.00 C ATOM 625 C SER A 305 48.652 -10.341 -2.158 1.00 0.00 C ATOM 626 O SER A 305 47.928 -9.441 -1.731 1.00 0.00 O ATOM 627 CB SER A 305 47.263 -11.302 -4.001 1.00 0.00 C ATOM 628 OG SER A 305 48.047 -11.532 -5.159 1.00 0.00 O ATOM 0 H SER A 305 46.200 -12.066 -1.854 1.00 0.00 H new ATOM 0 HA SER A 305 48.868 -12.301 -2.975 1.00 0.00 H new ATOM 0 HB2 SER A 305 46.364 -11.918 -4.038 1.00 0.00 H new ATOM 0 HB3 SER A 305 46.936 -10.262 -3.980 1.00 0.00 H new ATOM 0 HG SER A 305 47.519 -11.323 -5.958 1.00 0.00 H new ATOM 634 N ALA A 306 49.979 -10.265 -2.151 1.00 0.00 N ATOM 635 CA ALA A 306 50.676 -9.095 -1.632 1.00 0.00 C ATOM 636 C ALA A 306 50.280 -8.813 -0.187 1.00 0.00 C ATOM 637 O ALA A 306 49.655 -9.645 0.471 1.00 0.00 O ATOM 638 CB ALA A 306 50.390 -7.882 -2.504 1.00 0.00 C ATOM 0 H ALA A 306 50.593 -11.001 -2.499 1.00 0.00 H new ATOM 0 HA ALA A 306 51.746 -9.303 -1.653 1.00 0.00 H new ATOM 0 HB1 ALA A 306 50.917 -7.015 -2.105 1.00 0.00 H new ATOM 0 HB2 ALA A 306 50.730 -8.077 -3.521 1.00 0.00 H new ATOM 0 HB3 ALA A 306 49.318 -7.684 -2.511 1.00 0.00 H new ATOM 644 N ASP A 307 50.649 -7.633 0.302 1.00 0.00 N ATOM 645 CA ASP A 307 50.334 -7.238 1.669 1.00 0.00 C ATOM 646 C ASP A 307 49.912 -5.775 1.729 1.00 0.00 C ATOM 647 O ASP A 307 50.092 -5.152 2.797 1.00 0.00 O ATOM 648 CB ASP A 307 51.540 -7.472 2.579 1.00 0.00 C ATOM 649 CG ASP A 307 52.720 -6.591 2.215 1.00 0.00 C ATOM 650 OD1 ASP A 307 53.472 -6.961 1.290 1.00 0.00 O ATOM 651 OD2 ASP A 307 52.891 -5.534 2.858 1.00 0.00 O ATOM 652 OXT ASP A 307 49.409 -5.262 0.708 1.00 0.00 O ATOM 0 H ASP A 307 51.167 -6.933 -0.230 1.00 0.00 H new ATOM 0 HA ASP A 307 49.502 -7.851 2.016 1.00 0.00 H new ATOM 0 HB2 ASP A 307 51.253 -7.281 3.613 1.00 0.00 H new ATOM 0 HB3 ASP A 307 51.839 -8.518 2.519 1.00 0.00 H new TER 657 ASP A 307