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 268 GLN : amide:sc= -2.39! K(o=-4.6!,f=1.5) USER MOD Set 1.2: A 289 TYR OH : rot 150:sc= -2.22! 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 USER MOD Single : A 267 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 273 THR OG1 : rot -38:sc= 0.847 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 177:sc= -11.9! (180deg=-12.2!) USER MOD Single : A 282 THR OG1 : rot 180:sc= -0.842! USER MOD Single : A 286 GLN : amide:sc= -4.39! K(o=-4.4!,f=-0.97) USER MOD Single : A 291 MET CE :methyl -117:sc= -9.16! (180deg=-10.8!) USER MOD Single : A 292 GLN : amide:sc= -0.236 X(o=-0.24,f=-0.0027) USER MOD Single : A 293 MET CE :methyl 166:sc=-0.00161 (180deg=-0.164) 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=-0.038) USER MOD Single : A 305 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 263 32.717 20.878 8.695 1.00 0.00 N ATOM 2 CA MET A 263 32.343 19.708 7.860 1.00 0.00 C ATOM 3 C MET A 263 30.834 19.642 7.649 1.00 0.00 C ATOM 4 O MET A 263 30.057 20.054 8.511 1.00 0.00 O ATOM 5 CB MET A 263 32.834 18.438 8.557 1.00 0.00 C ATOM 6 CG MET A 263 34.338 18.241 8.472 1.00 0.00 C ATOM 7 SD MET A 263 35.076 17.838 10.067 1.00 0.00 S ATOM 8 CE MET A 263 36.323 16.651 9.575 1.00 0.00 C ATOM 0 HA MET A 263 32.808 19.804 6.879 1.00 0.00 H new ATOM 0 HB2 MET A 263 32.539 18.472 9.606 1.00 0.00 H new ATOM 0 HB3 MET A 263 32.337 17.575 8.114 1.00 0.00 H new ATOM 0 HG2 MET A 263 34.557 17.443 7.763 1.00 0.00 H new ATOM 0 HG3 MET A 263 34.798 19.149 8.082 1.00 0.00 H new ATOM 0 HE1 MET A 263 36.866 16.308 10.456 1.00 0.00 H new ATOM 0 HE2 MET A 263 35.844 15.801 9.090 1.00 0.00 H new ATOM 0 HE3 MET A 263 37.019 17.121 8.880 1.00 0.00 H new ATOM 20 N THR A 264 30.424 19.121 6.498 1.00 0.00 N ATOM 21 CA THR A 264 29.007 19.002 6.176 1.00 0.00 C ATOM 22 C THR A 264 28.748 17.783 5.295 1.00 0.00 C ATOM 23 O THR A 264 27.784 17.047 5.505 1.00 0.00 O ATOM 24 CB THR A 264 28.512 20.267 5.474 1.00 0.00 C ATOM 25 OG1 THR A 264 29.589 21.146 5.204 1.00 0.00 O ATOM 26 CG2 THR A 264 27.484 21.033 6.279 1.00 0.00 C ATOM 0 H THR A 264 31.052 18.775 5.773 1.00 0.00 H new ATOM 0 HA THR A 264 28.459 18.876 7.110 1.00 0.00 H new ATOM 0 HB THR A 264 28.045 19.922 4.552 1.00 0.00 H new ATOM 0 HG1 THR A 264 29.252 21.948 4.753 1.00 0.00 H new ATOM 0 HG21 THR A 264 27.174 21.919 5.725 1.00 0.00 H new ATOM 0 HG22 THR A 264 26.617 20.398 6.461 1.00 0.00 H new ATOM 0 HG23 THR A 264 27.919 21.335 7.232 1.00 0.00 H new ATOM 34 N ILE A 265 29.614 17.576 4.308 1.00 0.00 N ATOM 35 CA ILE A 265 29.477 16.446 3.397 1.00 0.00 C ATOM 36 C ILE A 265 30.075 15.179 3.999 1.00 0.00 C ATOM 37 O ILE A 265 31.243 14.864 3.773 1.00 0.00 O ATOM 38 CB ILE A 265 30.155 16.726 2.043 1.00 0.00 C ATOM 39 CG1 ILE A 265 29.745 18.102 1.517 1.00 0.00 C ATOM 40 CG2 ILE A 265 29.796 15.641 1.038 1.00 0.00 C ATOM 41 CD1 ILE A 265 28.387 18.113 0.848 1.00 0.00 C ATOM 0 H ILE A 265 30.417 18.176 4.119 1.00 0.00 H new ATOM 0 HA ILE A 265 28.409 16.301 3.235 1.00 0.00 H new ATOM 0 HB ILE A 265 31.236 16.720 2.186 1.00 0.00 H new ATOM 0 HG12 ILE A 265 29.739 18.812 2.344 1.00 0.00 H new ATOM 0 HG13 ILE A 265 30.495 18.448 0.805 1.00 0.00 H new ATOM 0 HG21 ILE A 265 30.282 15.852 0.086 1.00 0.00 H new ATOM 0 HG22 ILE A 265 30.133 14.674 1.411 1.00 0.00 H new ATOM 0 HG23 ILE A 265 28.715 15.619 0.897 1.00 0.00 H new ATOM 0 HD11 ILE A 265 28.161 19.121 0.499 1.00 0.00 H new ATOM 0 HD12 ILE A 265 28.394 17.429 -0.000 1.00 0.00 H new ATOM 0 HD13 ILE A 265 27.627 17.798 1.563 1.00 0.00 H new ATOM 53 N SER A 266 29.265 14.458 4.767 1.00 0.00 N ATOM 54 CA SER A 266 29.711 13.225 5.405 1.00 0.00 C ATOM 55 C SER A 266 30.397 12.306 4.398 1.00 0.00 C ATOM 56 O SER A 266 31.374 11.633 4.725 1.00 0.00 O ATOM 57 CB SER A 266 28.526 12.503 6.049 1.00 0.00 C ATOM 58 OG SER A 266 28.965 11.446 6.885 1.00 0.00 O ATOM 0 H SER A 266 28.295 14.707 4.963 1.00 0.00 H new ATOM 0 HA SER A 266 30.433 13.486 6.179 1.00 0.00 H new ATOM 0 HB2 SER A 266 27.938 13.212 6.632 1.00 0.00 H new ATOM 0 HB3 SER A 266 27.871 12.108 5.272 1.00 0.00 H new ATOM 0 HG SER A 266 28.189 11.002 7.286 1.00 0.00 H new ATOM 64 N GLN A 267 29.881 12.284 3.175 1.00 0.00 N ATOM 65 CA GLN A 267 30.449 11.448 2.123 1.00 0.00 C ATOM 66 C GLN A 267 29.997 9.998 2.265 1.00 0.00 C ATOM 67 O GLN A 267 30.399 9.134 1.486 1.00 0.00 O ATOM 68 CB GLN A 267 31.977 11.519 2.159 1.00 0.00 C ATOM 69 CG GLN A 267 32.626 11.328 0.799 1.00 0.00 C ATOM 70 CD GLN A 267 33.698 12.362 0.516 1.00 0.00 C ATOM 71 OE1 GLN A 267 33.404 13.476 0.081 1.00 0.00 O ATOM 72 NE2 GLN A 267 34.951 11.996 0.760 1.00 0.00 N ATOM 0 H GLN A 267 29.072 12.834 2.887 1.00 0.00 H new ATOM 0 HA GLN A 267 30.091 11.826 1.165 1.00 0.00 H new ATOM 0 HB2 GLN A 267 32.278 12.485 2.564 1.00 0.00 H new ATOM 0 HB3 GLN A 267 32.352 10.757 2.842 1.00 0.00 H new ATOM 0 HG2 GLN A 267 33.064 10.331 0.746 1.00 0.00 H new ATOM 0 HG3 GLN A 267 31.861 11.381 0.024 1.00 0.00 H new ATOM 0 HE21 GLN A 267 35.149 11.062 1.120 1.00 0.00 H new ATOM 0 HE22 GLN A 267 35.716 12.648 0.587 1.00 0.00 H new ATOM 81 N GLN A 268 29.161 9.735 3.266 1.00 0.00 N ATOM 82 CA GLN A 268 28.663 8.386 3.506 1.00 0.00 C ATOM 83 C GLN A 268 27.139 8.347 3.444 1.00 0.00 C ATOM 84 O GLN A 268 26.560 7.914 2.447 1.00 0.00 O ATOM 85 CB GLN A 268 29.148 7.879 4.865 1.00 0.00 C ATOM 86 CG GLN A 268 30.660 7.919 5.022 1.00 0.00 C ATOM 87 CD GLN A 268 31.376 7.081 3.982 1.00 0.00 C ATOM 88 OE1 GLN A 268 32.232 7.577 3.249 1.00 0.00 O ATOM 89 NE2 GLN A 268 31.029 5.800 3.913 1.00 0.00 N ATOM 0 H GLN A 268 28.816 10.436 3.921 1.00 0.00 H new ATOM 0 HA GLN A 268 29.053 7.735 2.723 1.00 0.00 H new ATOM 0 HB2 GLN A 268 28.693 8.480 5.652 1.00 0.00 H new ATOM 0 HB3 GLN A 268 28.803 6.855 5.006 1.00 0.00 H new ATOM 0 HG2 GLN A 268 31.002 8.951 4.950 1.00 0.00 H new ATOM 0 HG3 GLN A 268 30.928 7.564 6.017 1.00 0.00 H new ATOM 0 HE21 GLN A 268 30.314 5.431 4.540 1.00 0.00 H new ATOM 0 HE22 GLN A 268 31.477 5.186 3.233 1.00 0.00 H new ATOM 98 N GLU A 269 26.491 8.801 4.513 1.00 0.00 N ATOM 99 CA GLU A 269 25.034 8.819 4.572 1.00 0.00 C ATOM 100 C GLU A 269 24.478 9.975 3.753 1.00 0.00 C ATOM 101 O GLU A 269 24.364 11.096 4.245 1.00 0.00 O ATOM 102 CB GLU A 269 24.561 8.932 6.022 1.00 0.00 C ATOM 103 CG GLU A 269 23.325 8.101 6.323 1.00 0.00 C ATOM 104 CD GLU A 269 22.196 8.926 6.909 1.00 0.00 C ATOM 105 OE1 GLU A 269 22.486 9.862 7.683 1.00 0.00 O ATOM 106 OE2 GLU A 269 21.023 8.635 6.594 1.00 0.00 O ATOM 0 H GLU A 269 26.952 9.161 5.349 1.00 0.00 H new ATOM 0 HA GLU A 269 24.664 7.884 4.151 1.00 0.00 H new ATOM 0 HB2 GLU A 269 25.369 8.621 6.685 1.00 0.00 H new ATOM 0 HB3 GLU A 269 24.350 9.977 6.246 1.00 0.00 H new ATOM 0 HG2 GLU A 269 22.982 7.622 5.406 1.00 0.00 H new ATOM 0 HG3 GLU A 269 23.588 7.305 7.020 1.00 0.00 H new ATOM 113 N PHE A 270 24.135 9.692 2.500 1.00 0.00 N ATOM 114 CA PHE A 270 23.592 10.703 1.597 1.00 0.00 C ATOM 115 C PHE A 270 23.699 10.229 0.155 1.00 0.00 C ATOM 116 O PHE A 270 22.923 10.640 -0.708 1.00 0.00 O ATOM 117 CB PHE A 270 24.335 12.033 1.764 1.00 0.00 C ATOM 118 CG PHE A 270 23.985 13.054 0.720 1.00 0.00 C ATOM 119 CD1 PHE A 270 24.392 12.892 -0.593 1.00 0.00 C ATOM 120 CD2 PHE A 270 23.248 14.180 1.055 1.00 0.00 C ATOM 121 CE1 PHE A 270 24.071 13.832 -1.554 1.00 0.00 C ATOM 122 CE2 PHE A 270 22.924 15.123 0.099 1.00 0.00 C ATOM 123 CZ PHE A 270 23.336 14.949 -1.207 1.00 0.00 C ATOM 0 H PHE A 270 24.224 8.765 2.084 1.00 0.00 H new ATOM 0 HA PHE A 270 22.542 10.857 1.846 1.00 0.00 H new ATOM 0 HB2 PHE A 270 24.112 12.442 2.749 1.00 0.00 H new ATOM 0 HB3 PHE A 270 25.408 11.846 1.732 1.00 0.00 H new ATOM 0 HD1 PHE A 270 24.967 12.021 -0.870 1.00 0.00 H new ATOM 0 HD2 PHE A 270 22.924 14.321 2.075 1.00 0.00 H new ATOM 0 HE1 PHE A 270 24.394 13.693 -2.575 1.00 0.00 H new ATOM 0 HE2 PHE A 270 22.349 15.995 0.373 1.00 0.00 H new ATOM 0 HZ PHE A 270 23.084 15.685 -1.956 1.00 0.00 H new ATOM 133 N GLY A 271 24.661 9.346 -0.092 1.00 0.00 N ATOM 134 CA GLY A 271 24.858 8.809 -1.413 1.00 0.00 C ATOM 135 C GLY A 271 24.405 7.374 -1.497 1.00 0.00 C ATOM 136 O GLY A 271 25.226 6.459 -1.544 1.00 0.00 O ATOM 0 H GLY A 271 25.310 8.994 0.611 1.00 0.00 H new ATOM 0 HA2 GLY A 271 24.307 9.409 -2.137 1.00 0.00 H new ATOM 0 HA3 GLY A 271 25.913 8.875 -1.681 1.00 0.00 H new ATOM 140 N ARG A 272 23.094 7.175 -1.520 1.00 0.00 N ATOM 141 CA ARG A 272 22.541 5.837 -1.614 1.00 0.00 C ATOM 142 C ARG A 272 22.783 5.277 -3.010 1.00 0.00 C ATOM 143 O ARG A 272 22.505 4.109 -3.283 1.00 0.00 O ATOM 144 CB ARG A 272 21.046 5.850 -1.302 1.00 0.00 C ATOM 145 CG ARG A 272 20.674 4.994 -0.104 1.00 0.00 C ATOM 146 CD ARG A 272 19.946 3.729 -0.527 1.00 0.00 C ATOM 147 NE ARG A 272 18.512 3.953 -0.696 1.00 0.00 N ATOM 148 CZ ARG A 272 17.634 2.976 -0.892 1.00 0.00 C ATOM 149 NH1 ARG A 272 18.042 1.716 -0.946 1.00 0.00 N ATOM 150 NH2 ARG A 272 16.345 3.259 -1.033 1.00 0.00 N ATOM 0 H ARG A 272 22.399 7.921 -1.475 1.00 0.00 H new ATOM 0 HA ARG A 272 23.037 5.200 -0.882 1.00 0.00 H new ATOM 0 HB2 ARG A 272 20.729 6.877 -1.118 1.00 0.00 H new ATOM 0 HB3 ARG A 272 20.497 5.498 -2.175 1.00 0.00 H new ATOM 0 HG2 ARG A 272 21.575 4.729 0.449 1.00 0.00 H new ATOM 0 HG3 ARG A 272 20.043 5.569 0.573 1.00 0.00 H new ATOM 0 HD2 ARG A 272 20.369 3.363 -1.463 1.00 0.00 H new ATOM 0 HD3 ARG A 272 20.106 2.952 0.220 1.00 0.00 H new ATOM 0 HE ARG A 272 18.166 4.912 -0.662 1.00 0.00 H new ATOM 0 HH11 ARG A 272 19.032 1.495 -0.837 1.00 0.00 H new ATOM 0 HH12 ARG A 272 17.366 0.967 -1.097 1.00 0.00 H new ATOM 0 HH21 ARG A 272 16.028 4.228 -0.991 1.00 0.00 H new ATOM 0 HH22 ARG A 272 15.671 2.508 -1.184 1.00 0.00 H new ATOM 164 N THR A 273 23.318 6.125 -3.887 1.00 0.00 N ATOM 165 CA THR A 273 23.619 5.727 -5.256 1.00 0.00 C ATOM 166 C THR A 273 25.128 5.638 -5.461 1.00 0.00 C ATOM 167 O THR A 273 25.608 5.486 -6.584 1.00 0.00 O ATOM 168 CB THR A 273 23.014 6.724 -6.249 1.00 0.00 C ATOM 169 OG1 THR A 273 23.248 6.307 -7.583 1.00 0.00 O ATOM 170 CG2 THR A 273 23.565 8.126 -6.099 1.00 0.00 C ATOM 0 H THR A 273 23.551 7.094 -3.670 1.00 0.00 H new ATOM 0 HA THR A 273 23.180 4.746 -5.434 1.00 0.00 H new ATOM 0 HB THR A 273 21.947 6.746 -6.025 1.00 0.00 H new ATOM 0 HG1 THR A 273 24.142 5.911 -7.650 1.00 0.00 H new ATOM 0 HG21 THR A 273 23.095 8.782 -6.832 1.00 0.00 H new ATOM 0 HG22 THR A 273 23.355 8.494 -5.095 1.00 0.00 H new ATOM 0 HG23 THR A 273 24.643 8.113 -6.262 1.00 0.00 H new ATOM 178 N GLY A 274 25.867 5.732 -4.359 1.00 0.00 N ATOM 179 CA GLY A 274 27.313 5.658 -4.420 1.00 0.00 C ATOM 180 C GLY A 274 27.816 4.243 -4.237 1.00 0.00 C ATOM 181 O GLY A 274 28.757 3.830 -4.914 1.00 0.00 O ATOM 0 H GLY A 274 25.486 5.859 -3.421 1.00 0.00 H new ATOM 0 HA2 GLY A 274 27.656 6.043 -5.380 1.00 0.00 H new ATOM 0 HA3 GLY A 274 27.742 6.298 -3.649 1.00 0.00 H new ATOM 185 N LEU A 275 27.165 3.505 -3.327 1.00 0.00 N ATOM 186 CA LEU A 275 27.513 2.106 -3.036 1.00 0.00 C ATOM 187 C LEU A 275 27.493 1.791 -1.537 1.00 0.00 C ATOM 188 O LEU A 275 27.162 0.672 -1.145 1.00 0.00 O ATOM 189 CB LEU A 275 28.879 1.726 -3.613 1.00 0.00 C ATOM 190 CG LEU A 275 29.387 0.341 -3.212 1.00 0.00 C ATOM 191 CD1 LEU A 275 28.295 -0.702 -3.397 1.00 0.00 C ATOM 192 CD2 LEU A 275 30.619 -0.028 -4.022 1.00 0.00 C ATOM 0 H LEU A 275 26.385 3.859 -2.773 1.00 0.00 H new ATOM 0 HA LEU A 275 26.741 1.509 -3.521 1.00 0.00 H new ATOM 0 HB2 LEU A 275 28.824 1.775 -4.700 1.00 0.00 H new ATOM 0 HB3 LEU A 275 29.610 2.470 -3.297 1.00 0.00 H new ATOM 0 HG LEU A 275 29.662 0.367 -2.158 1.00 0.00 H new ATOM 0 HD11 LEU A 275 28.675 -1.682 -3.107 1.00 0.00 H new ATOM 0 HD12 LEU A 275 27.438 -0.446 -2.774 1.00 0.00 H new ATOM 0 HD13 LEU A 275 27.989 -0.727 -4.443 1.00 0.00 H new ATOM 0 HD21 LEU A 275 30.968 -1.017 -3.724 1.00 0.00 H new ATOM 0 HD22 LEU A 275 30.368 -0.036 -5.083 1.00 0.00 H new ATOM 0 HD23 LEU A 275 31.406 0.704 -3.841 1.00 0.00 H new ATOM 204 N PRO A 276 27.855 2.755 -0.674 1.00 0.00 N ATOM 205 CA PRO A 276 27.880 2.540 0.769 1.00 0.00 C ATOM 206 C PRO A 276 26.510 2.703 1.413 1.00 0.00 C ATOM 207 O PRO A 276 25.962 3.804 1.471 1.00 0.00 O ATOM 208 CB PRO A 276 28.845 3.613 1.263 1.00 0.00 C ATOM 209 CG PRO A 276 28.740 4.722 0.271 1.00 0.00 C ATOM 210 CD PRO A 276 28.275 4.116 -1.032 1.00 0.00 C ATOM 0 HA PRO A 276 28.181 1.524 1.026 1.00 0.00 H new ATOM 0 HB2 PRO A 276 28.577 3.953 2.263 1.00 0.00 H new ATOM 0 HB3 PRO A 276 29.864 3.230 1.319 1.00 0.00 H new ATOM 0 HG2 PRO A 276 28.036 5.480 0.615 1.00 0.00 H new ATOM 0 HG3 PRO A 276 29.703 5.216 0.143 1.00 0.00 H new ATOM 0 HD2 PRO A 276 27.451 4.685 -1.463 1.00 0.00 H new ATOM 0 HD3 PRO A 276 29.075 4.103 -1.772 1.00 0.00 H new ATOM 218 N ASP A 277 25.967 1.594 1.902 1.00 0.00 N ATOM 219 CA ASP A 277 24.666 1.596 2.555 1.00 0.00 C ATOM 220 C ASP A 277 24.829 1.367 4.053 1.00 0.00 C ATOM 221 O ASP A 277 24.048 0.648 4.670 1.00 0.00 O ATOM 222 CB ASP A 277 23.766 0.514 1.955 1.00 0.00 C ATOM 223 CG ASP A 277 23.384 0.809 0.518 1.00 0.00 C ATOM 224 OD1 ASP A 277 24.296 0.918 -0.329 1.00 0.00 O ATOM 225 OD2 ASP A 277 22.173 0.930 0.239 1.00 0.00 O ATOM 0 H ASP A 277 26.412 0.677 1.857 1.00 0.00 H new ATOM 0 HA ASP A 277 24.199 2.568 2.394 1.00 0.00 H new ATOM 0 HB2 ASP A 277 24.278 -0.447 2.002 1.00 0.00 H new ATOM 0 HB3 ASP A 277 22.862 0.423 2.557 1.00 0.00 H new ATOM 230 N LEU A 278 25.862 1.985 4.624 1.00 0.00 N ATOM 231 CA LEU A 278 26.159 1.857 6.052 1.00 0.00 C ATOM 232 C LEU A 278 24.893 1.740 6.895 1.00 0.00 C ATOM 233 O LEU A 278 24.911 1.147 7.974 1.00 0.00 O ATOM 234 CB LEU A 278 26.989 3.047 6.535 1.00 0.00 C ATOM 235 CG LEU A 278 27.529 2.919 7.960 1.00 0.00 C ATOM 236 CD1 LEU A 278 28.999 2.535 7.943 1.00 0.00 C ATOM 237 CD2 LEU A 278 27.324 4.216 8.725 1.00 0.00 C ATOM 0 H LEU A 278 26.512 2.584 4.116 1.00 0.00 H new ATOM 0 HA LEU A 278 26.730 0.937 6.177 1.00 0.00 H new ATOM 0 HB2 LEU A 278 27.829 3.185 5.855 1.00 0.00 H new ATOM 0 HB3 LEU A 278 26.377 3.947 6.473 1.00 0.00 H new ATOM 0 HG LEU A 278 26.976 2.129 8.467 1.00 0.00 H new ATOM 0 HD11 LEU A 278 29.364 2.449 8.966 1.00 0.00 H new ATOM 0 HD12 LEU A 278 29.120 1.579 7.433 1.00 0.00 H new ATOM 0 HD13 LEU A 278 29.569 3.301 7.417 1.00 0.00 H new ATOM 0 HD21 LEU A 278 27.714 4.107 9.737 1.00 0.00 H new ATOM 0 HD22 LEU A 278 27.851 5.025 8.218 1.00 0.00 H new ATOM 0 HD23 LEU A 278 26.260 4.448 8.769 1.00 0.00 H new ATOM 249 N SER A 279 23.800 2.313 6.412 1.00 0.00 N ATOM 250 CA SER A 279 22.533 2.270 7.129 1.00 0.00 C ATOM 251 C SER A 279 22.341 0.946 7.874 1.00 0.00 C ATOM 252 O SER A 279 21.645 0.900 8.888 1.00 0.00 O ATOM 253 CB SER A 279 21.370 2.493 6.162 1.00 0.00 C ATOM 254 OG SER A 279 20.125 2.270 6.801 1.00 0.00 O ATOM 0 H SER A 279 23.765 2.814 5.524 1.00 0.00 H new ATOM 0 HA SER A 279 22.552 3.070 7.870 1.00 0.00 H new ATOM 0 HB2 SER A 279 21.406 3.511 5.774 1.00 0.00 H new ATOM 0 HB3 SER A 279 21.469 1.823 5.308 1.00 0.00 H new ATOM 0 HG SER A 279 19.398 2.421 6.162 1.00 0.00 H new ATOM 260 N SER A 280 22.944 -0.135 7.372 1.00 0.00 N ATOM 261 CA SER A 280 22.799 -1.441 8.019 1.00 0.00 C ATOM 262 C SER A 280 24.033 -2.327 7.830 1.00 0.00 C ATOM 263 O SER A 280 23.976 -3.534 8.071 1.00 0.00 O ATOM 264 CB SER A 280 21.561 -2.157 7.479 1.00 0.00 C ATOM 265 OG SER A 280 20.803 -2.731 8.530 1.00 0.00 O ATOM 0 H SER A 280 23.527 -0.134 6.535 1.00 0.00 H new ATOM 0 HA SER A 280 22.688 -1.260 9.088 1.00 0.00 H new ATOM 0 HB2 SER A 280 20.943 -1.452 6.924 1.00 0.00 H new ATOM 0 HB3 SER A 280 21.864 -2.935 6.778 1.00 0.00 H new ATOM 0 HG SER A 280 20.016 -3.181 8.158 1.00 0.00 H new ATOM 271 N MET A 281 25.141 -1.734 7.404 1.00 0.00 N ATOM 272 CA MET A 281 26.375 -2.485 7.194 1.00 0.00 C ATOM 273 C MET A 281 27.367 -2.206 8.317 1.00 0.00 C ATOM 274 O MET A 281 28.128 -3.082 8.713 1.00 0.00 O ATOM 275 CB MET A 281 26.997 -2.125 5.845 1.00 0.00 C ATOM 276 CG MET A 281 26.745 -3.160 4.762 1.00 0.00 C ATOM 277 SD MET A 281 25.402 -2.689 3.657 1.00 0.00 S ATOM 278 CE MET A 281 24.254 -1.980 4.831 1.00 0.00 C ATOM 0 H MET A 281 25.212 -0.738 7.197 1.00 0.00 H new ATOM 0 HA MET A 281 26.133 -3.548 7.196 1.00 0.00 H new ATOM 0 HB2 MET A 281 26.600 -1.164 5.517 1.00 0.00 H new ATOM 0 HB3 MET A 281 28.072 -1.999 5.972 1.00 0.00 H new ATOM 0 HG2 MET A 281 27.656 -3.303 4.181 1.00 0.00 H new ATOM 0 HG3 MET A 281 26.510 -4.118 5.227 1.00 0.00 H new ATOM 0 HE1 MET A 281 23.386 -1.589 4.300 1.00 0.00 H new ATOM 0 HE2 MET A 281 23.933 -2.748 5.535 1.00 0.00 H new ATOM 0 HE3 MET A 281 24.742 -1.171 5.374 1.00 0.00 H new ATOM 288 N THR A 282 27.336 -0.979 8.821 1.00 0.00 N ATOM 289 CA THR A 282 28.216 -0.551 9.913 1.00 0.00 C ATOM 290 C THR A 282 29.525 -1.344 9.946 1.00 0.00 C ATOM 291 O THR A 282 30.535 -0.917 9.389 1.00 0.00 O ATOM 292 CB THR A 282 27.494 -0.692 11.256 1.00 0.00 C ATOM 293 OG1 THR A 282 28.393 -1.102 12.271 1.00 0.00 O ATOM 294 CG2 THR A 282 26.354 -1.688 11.225 1.00 0.00 C ATOM 0 H THR A 282 26.704 -0.251 8.489 1.00 0.00 H new ATOM 0 HA THR A 282 28.467 0.495 9.735 1.00 0.00 H new ATOM 0 HB THR A 282 27.086 0.297 11.465 1.00 0.00 H new ATOM 0 HG1 THR A 282 27.912 -1.184 13.121 1.00 0.00 H new ATOM 0 HG21 THR A 282 25.887 -1.738 12.209 1.00 0.00 H new ATOM 0 HG22 THR A 282 25.615 -1.373 10.488 1.00 0.00 H new ATOM 0 HG23 THR A 282 26.738 -2.672 10.955 1.00 0.00 H new ATOM 302 N GLU A 283 29.494 -2.495 10.612 1.00 0.00 N ATOM 303 CA GLU A 283 30.663 -3.354 10.733 1.00 0.00 C ATOM 304 C GLU A 283 31.120 -3.821 9.362 1.00 0.00 C ATOM 305 O GLU A 283 32.246 -3.558 8.957 1.00 0.00 O ATOM 306 CB GLU A 283 30.343 -4.554 11.626 1.00 0.00 C ATOM 307 CG GLU A 283 31.510 -5.511 11.810 1.00 0.00 C ATOM 308 CD GLU A 283 31.467 -6.673 10.839 1.00 0.00 C ATOM 309 OE1 GLU A 283 30.554 -6.699 9.986 1.00 0.00 O ATOM 310 OE2 GLU A 283 32.344 -7.557 10.930 1.00 0.00 O ATOM 0 H GLU A 283 28.662 -2.855 11.080 1.00 0.00 H new ATOM 0 HA GLU A 283 31.472 -2.784 11.190 1.00 0.00 H new ATOM 0 HB2 GLU A 283 30.024 -4.193 12.604 1.00 0.00 H new ATOM 0 HB3 GLU A 283 29.502 -5.100 11.198 1.00 0.00 H new ATOM 0 HG2 GLU A 283 32.446 -4.967 11.679 1.00 0.00 H new ATOM 0 HG3 GLU A 283 31.504 -5.894 12.830 1.00 0.00 H new ATOM 317 N GLU A 284 30.234 -4.506 8.648 1.00 0.00 N ATOM 318 CA GLU A 284 30.550 -4.991 7.309 1.00 0.00 C ATOM 319 C GLU A 284 30.924 -3.822 6.406 1.00 0.00 C ATOM 320 O GLU A 284 31.565 -3.999 5.374 1.00 0.00 O ATOM 321 CB GLU A 284 29.365 -5.749 6.701 1.00 0.00 C ATOM 322 CG GLU A 284 28.413 -6.330 7.731 1.00 0.00 C ATOM 323 CD GLU A 284 27.855 -7.678 7.316 1.00 0.00 C ATOM 324 OE1 GLU A 284 28.094 -8.090 6.161 1.00 0.00 O ATOM 325 OE2 GLU A 284 27.179 -8.322 8.146 1.00 0.00 O ATOM 0 H GLU A 284 29.295 -4.738 8.972 1.00 0.00 H new ATOM 0 HA GLU A 284 31.394 -5.677 7.390 1.00 0.00 H new ATOM 0 HB2 GLU A 284 28.811 -5.074 6.048 1.00 0.00 H new ATOM 0 HB3 GLU A 284 29.745 -6.557 6.076 1.00 0.00 H new ATOM 0 HG2 GLU A 284 28.933 -6.434 8.683 1.00 0.00 H new ATOM 0 HG3 GLU A 284 27.590 -5.634 7.892 1.00 0.00 H new ATOM 332 N GLU A 285 30.515 -2.624 6.812 1.00 0.00 N ATOM 333 CA GLU A 285 30.805 -1.413 6.051 1.00 0.00 C ATOM 334 C GLU A 285 32.226 -0.935 6.323 1.00 0.00 C ATOM 335 O GLU A 285 32.879 -0.375 5.446 1.00 0.00 O ATOM 336 CB GLU A 285 29.815 -0.300 6.403 1.00 0.00 C ATOM 337 CG GLU A 285 29.333 0.498 5.198 1.00 0.00 C ATOM 338 CD GLU A 285 28.876 -0.379 4.045 1.00 0.00 C ATOM 339 OE1 GLU A 285 29.743 -0.899 3.313 1.00 0.00 O ATOM 340 OE2 GLU A 285 27.650 -0.538 3.870 1.00 0.00 O ATOM 0 H GLU A 285 29.980 -2.465 7.666 1.00 0.00 H new ATOM 0 HA GLU A 285 30.706 -1.653 4.992 1.00 0.00 H new ATOM 0 HB2 GLU A 285 28.953 -0.739 6.905 1.00 0.00 H new ATOM 0 HB3 GLU A 285 30.285 0.380 7.113 1.00 0.00 H new ATOM 0 HG2 GLU A 285 28.510 1.144 5.503 1.00 0.00 H new ATOM 0 HG3 GLU A 285 30.138 1.148 4.855 1.00 0.00 H new ATOM 347 N GLN A 286 32.698 -1.160 7.545 1.00 0.00 N ATOM 348 CA GLN A 286 34.046 -0.757 7.931 1.00 0.00 C ATOM 349 C GLN A 286 35.061 -1.787 7.451 1.00 0.00 C ATOM 350 O GLN A 286 36.206 -1.456 7.141 1.00 0.00 O ATOM 351 CB GLN A 286 34.144 -0.592 9.450 1.00 0.00 C ATOM 352 CG GLN A 286 34.153 0.859 9.906 1.00 0.00 C ATOM 353 CD GLN A 286 32.765 1.379 10.224 1.00 0.00 C ATOM 354 OE1 GLN A 286 32.529 1.938 11.295 1.00 0.00 O ATOM 355 NE2 GLN A 286 31.837 1.198 9.292 1.00 0.00 N ATOM 0 H GLN A 286 32.167 -1.619 8.285 1.00 0.00 H new ATOM 0 HA GLN A 286 34.266 0.202 7.462 1.00 0.00 H new ATOM 0 HB2 GLN A 286 33.304 -1.106 9.918 1.00 0.00 H new ATOM 0 HB3 GLN A 286 35.053 -1.080 9.802 1.00 0.00 H new ATOM 0 HG2 GLN A 286 34.784 0.954 10.790 1.00 0.00 H new ATOM 0 HG3 GLN A 286 34.599 1.478 9.128 1.00 0.00 H new ATOM 0 HE21 GLN A 286 32.076 0.729 8.418 1.00 0.00 H new ATOM 0 HE22 GLN A 286 30.885 1.528 9.450 1.00 0.00 H new ATOM 364 N ILE A 287 34.616 -3.035 7.369 1.00 0.00 N ATOM 365 CA ILE A 287 35.460 -4.121 6.907 1.00 0.00 C ATOM 366 C ILE A 287 35.519 -4.093 5.395 1.00 0.00 C ATOM 367 O ILE A 287 36.565 -4.323 4.788 1.00 0.00 O ATOM 368 CB ILE A 287 34.923 -5.481 7.374 1.00 0.00 C ATOM 369 CG1 ILE A 287 33.574 -5.775 6.730 1.00 0.00 C ATOM 370 CG2 ILE A 287 34.812 -5.511 8.888 1.00 0.00 C ATOM 371 CD1 ILE A 287 33.674 -6.420 5.365 1.00 0.00 C ATOM 0 H ILE A 287 33.668 -3.317 7.619 1.00 0.00 H new ATOM 0 HA ILE A 287 36.457 -3.988 7.327 1.00 0.00 H new ATOM 0 HB ILE A 287 35.624 -6.256 7.063 1.00 0.00 H new ATOM 0 HG12 ILE A 287 33.003 -6.429 7.389 1.00 0.00 H new ATOM 0 HG13 ILE A 287 33.014 -4.844 6.641 1.00 0.00 H new ATOM 0 HG21 ILE A 287 34.430 -6.481 9.206 1.00 0.00 H new ATOM 0 HG22 ILE A 287 35.795 -5.346 9.328 1.00 0.00 H new ATOM 0 HG23 ILE A 287 34.131 -4.727 9.218 1.00 0.00 H new ATOM 0 HD11 ILE A 287 32.673 -6.598 4.972 1.00 0.00 H new ATOM 0 HD12 ILE A 287 34.217 -5.759 4.689 1.00 0.00 H new ATOM 0 HD13 ILE A 287 34.205 -7.368 5.449 1.00 0.00 H new ATOM 383 N ALA A 288 34.380 -3.768 4.802 1.00 0.00 N ATOM 384 CA ALA A 288 34.273 -3.655 3.365 1.00 0.00 C ATOM 385 C ALA A 288 35.059 -2.437 2.916 1.00 0.00 C ATOM 386 O ALA A 288 35.776 -2.467 1.915 1.00 0.00 O ATOM 387 CB ALA A 288 32.810 -3.540 2.954 1.00 0.00 C ATOM 0 H ALA A 288 33.513 -3.577 5.304 1.00 0.00 H new ATOM 0 HA ALA A 288 34.683 -4.545 2.888 1.00 0.00 H new ATOM 0 HB1 ALA A 288 32.742 -3.455 1.869 1.00 0.00 H new ATOM 0 HB2 ALA A 288 32.269 -4.427 3.283 1.00 0.00 H new ATOM 0 HB3 ALA A 288 32.371 -2.655 3.415 1.00 0.00 H new ATOM 393 N TYR A 289 34.950 -1.369 3.698 1.00 0.00 N ATOM 394 CA TYR A 289 35.678 -0.146 3.402 1.00 0.00 C ATOM 395 C TYR A 289 37.165 -0.462 3.360 1.00 0.00 C ATOM 396 O TYR A 289 37.875 -0.065 2.434 1.00 0.00 O ATOM 397 CB TYR A 289 35.388 0.928 4.453 1.00 0.00 C ATOM 398 CG TYR A 289 34.037 1.604 4.302 1.00 0.00 C ATOM 399 CD1 TYR A 289 33.388 1.658 3.072 1.00 0.00 C ATOM 400 CD2 TYR A 289 33.409 2.189 5.397 1.00 0.00 C ATOM 401 CE1 TYR A 289 32.158 2.275 2.939 1.00 0.00 C ATOM 402 CE2 TYR A 289 32.179 2.807 5.269 1.00 0.00 C ATOM 403 CZ TYR A 289 31.558 2.847 4.039 1.00 0.00 C ATOM 404 OH TYR A 289 30.334 3.462 3.910 1.00 0.00 O ATOM 0 H TYR A 289 34.369 -1.327 4.535 1.00 0.00 H new ATOM 0 HA TYR A 289 35.356 0.243 2.436 1.00 0.00 H new ATOM 0 HB2 TYR A 289 35.446 0.475 5.443 1.00 0.00 H new ATOM 0 HB3 TYR A 289 36.168 1.687 4.404 1.00 0.00 H new ATOM 0 HD1 TYR A 289 33.853 1.210 2.206 1.00 0.00 H new ATOM 0 HD2 TYR A 289 33.891 2.160 6.363 1.00 0.00 H new ATOM 0 HE1 TYR A 289 31.669 2.308 1.976 1.00 0.00 H new ATOM 0 HE2 TYR A 289 31.706 3.257 6.130 1.00 0.00 H new ATOM 0 HH TYR A 289 29.839 3.386 4.753 1.00 0.00 H new ATOM 414 N ALA A 290 37.621 -1.218 4.357 1.00 0.00 N ATOM 415 CA ALA A 290 39.013 -1.631 4.418 1.00 0.00 C ATOM 416 C ALA A 290 39.359 -2.394 3.146 1.00 0.00 C ATOM 417 O ALA A 290 40.458 -2.266 2.601 1.00 0.00 O ATOM 418 CB ALA A 290 39.254 -2.493 5.649 1.00 0.00 C ATOM 0 H ALA A 290 37.045 -1.554 5.129 1.00 0.00 H new ATOM 0 HA ALA A 290 39.655 -0.753 4.495 1.00 0.00 H new ATOM 0 HB1 ALA A 290 40.301 -2.795 5.682 1.00 0.00 H new ATOM 0 HB2 ALA A 290 39.013 -1.922 6.546 1.00 0.00 H new ATOM 0 HB3 ALA A 290 38.622 -3.380 5.602 1.00 0.00 H new ATOM 424 N MET A 291 38.390 -3.175 2.669 1.00 0.00 N ATOM 425 CA MET A 291 38.559 -3.950 1.445 1.00 0.00 C ATOM 426 C MET A 291 38.875 -3.019 0.277 1.00 0.00 C ATOM 427 O MET A 291 39.655 -3.358 -0.613 1.00 0.00 O ATOM 428 CB MET A 291 37.288 -4.776 1.160 1.00 0.00 C ATOM 429 CG MET A 291 36.386 -4.205 0.066 1.00 0.00 C ATOM 430 SD MET A 291 34.628 -4.426 0.411 1.00 0.00 S ATOM 431 CE MET A 291 34.015 -2.769 0.102 1.00 0.00 C ATOM 0 H MET A 291 37.479 -3.286 3.114 1.00 0.00 H new ATOM 0 HA MET A 291 39.394 -4.640 1.571 1.00 0.00 H new ATOM 0 HB2 MET A 291 37.584 -5.786 0.877 1.00 0.00 H new ATOM 0 HB3 MET A 291 36.711 -4.859 2.081 1.00 0.00 H new ATOM 0 HG2 MET A 291 36.596 -3.142 -0.052 1.00 0.00 H new ATOM 0 HG3 MET A 291 36.627 -4.685 -0.883 1.00 0.00 H new ATOM 0 HE1 MET A 291 33.604 -2.356 1.023 1.00 0.00 H new ATOM 0 HE2 MET A 291 34.833 -2.138 -0.246 1.00 0.00 H new ATOM 0 HE3 MET A 291 33.236 -2.805 -0.659 1.00 0.00 H new ATOM 441 N GLN A 292 38.258 -1.840 0.295 1.00 0.00 N ATOM 442 CA GLN A 292 38.462 -0.848 -0.753 1.00 0.00 C ATOM 443 C GLN A 292 39.894 -0.327 -0.728 1.00 0.00 C ATOM 444 O GLN A 292 40.560 -0.254 -1.760 1.00 0.00 O ATOM 445 CB GLN A 292 37.480 0.313 -0.582 1.00 0.00 C ATOM 446 CG GLN A 292 37.935 1.601 -1.251 1.00 0.00 C ATOM 447 CD GLN A 292 37.058 2.786 -0.897 1.00 0.00 C ATOM 448 OE1 GLN A 292 36.578 3.502 -1.777 1.00 0.00 O ATOM 449 NE2 GLN A 292 36.847 3.003 0.396 1.00 0.00 N ATOM 0 H GLN A 292 37.611 -1.549 1.028 1.00 0.00 H new ATOM 0 HA GLN A 292 38.282 -1.325 -1.716 1.00 0.00 H new ATOM 0 HB2 GLN A 292 36.513 0.023 -0.992 1.00 0.00 H new ATOM 0 HB3 GLN A 292 37.332 0.499 0.482 1.00 0.00 H new ATOM 0 HG2 GLN A 292 38.963 1.814 -0.958 1.00 0.00 H new ATOM 0 HG3 GLN A 292 37.934 1.464 -2.332 1.00 0.00 H new ATOM 0 HE21 GLN A 292 37.264 2.385 1.092 1.00 0.00 H new ATOM 0 HE22 GLN A 292 36.268 3.788 0.693 1.00 0.00 H new ATOM 458 N MET A 293 40.358 0.032 0.463 1.00 0.00 N ATOM 459 CA MET A 293 41.713 0.547 0.631 1.00 0.00 C ATOM 460 C MET A 293 42.730 -0.402 0.011 1.00 0.00 C ATOM 461 O MET A 293 43.626 0.021 -0.720 1.00 0.00 O ATOM 462 CB MET A 293 42.018 0.752 2.115 1.00 0.00 C ATOM 463 CG MET A 293 40.801 1.166 2.923 1.00 0.00 C ATOM 464 SD MET A 293 41.228 1.836 4.539 1.00 0.00 S ATOM 465 CE MET A 293 41.824 3.460 4.079 1.00 0.00 C ATOM 0 H MET A 293 39.817 -0.024 1.326 1.00 0.00 H new ATOM 0 HA MET A 293 41.783 1.507 0.120 1.00 0.00 H new ATOM 0 HB2 MET A 293 42.423 -0.172 2.527 1.00 0.00 H new ATOM 0 HB3 MET A 293 42.791 1.513 2.219 1.00 0.00 H new ATOM 0 HG2 MET A 293 40.236 1.912 2.364 1.00 0.00 H new ATOM 0 HG3 MET A 293 40.147 0.304 3.054 1.00 0.00 H new ATOM 0 HE1 MET A 293 41.893 4.087 4.968 1.00 0.00 H new ATOM 0 HE2 MET A 293 42.809 3.370 3.621 1.00 0.00 H new ATOM 0 HE3 MET A 293 41.133 3.913 3.368 1.00 0.00 H new ATOM 475 N SER A 294 42.579 -1.692 0.298 1.00 0.00 N ATOM 476 CA SER A 294 43.479 -2.703 -0.243 1.00 0.00 C ATOM 477 C SER A 294 43.151 -2.977 -1.706 1.00 0.00 C ATOM 478 O SER A 294 43.974 -3.507 -2.452 1.00 0.00 O ATOM 479 CB SER A 294 43.378 -3.998 0.565 1.00 0.00 C ATOM 480 OG SER A 294 43.767 -3.791 1.913 1.00 0.00 O ATOM 0 H SER A 294 41.843 -2.060 0.901 1.00 0.00 H new ATOM 0 HA SER A 294 44.499 -2.325 -0.174 1.00 0.00 H new ATOM 0 HB2 SER A 294 42.355 -4.372 0.532 1.00 0.00 H new ATOM 0 HB3 SER A 294 44.011 -4.762 0.114 1.00 0.00 H new ATOM 0 HG SER A 294 43.692 -4.633 2.408 1.00 0.00 H new ATOM 486 N LEU A 295 41.938 -2.606 -2.108 1.00 0.00 N ATOM 487 CA LEU A 295 41.492 -2.805 -3.482 1.00 0.00 C ATOM 488 C LEU A 295 42.420 -2.093 -4.459 1.00 0.00 C ATOM 489 O LEU A 295 42.402 -2.364 -5.660 1.00 0.00 O ATOM 490 CB LEU A 295 40.060 -2.294 -3.652 1.00 0.00 C ATOM 491 CG LEU A 295 39.117 -3.233 -4.409 1.00 0.00 C ATOM 492 CD1 LEU A 295 39.704 -3.604 -5.761 1.00 0.00 C ATOM 493 CD2 LEU A 295 38.832 -4.480 -3.588 1.00 0.00 C ATOM 0 H LEU A 295 41.247 -2.166 -1.501 1.00 0.00 H new ATOM 0 HA LEU A 295 41.516 -3.873 -3.698 1.00 0.00 H new ATOM 0 HB2 LEU A 295 39.640 -2.103 -2.664 1.00 0.00 H new ATOM 0 HB3 LEU A 295 40.092 -1.338 -4.175 1.00 0.00 H new ATOM 0 HG LEU A 295 38.175 -2.711 -4.577 1.00 0.00 H new ATOM 0 HD11 LEU A 295 39.019 -4.272 -6.284 1.00 0.00 H new ATOM 0 HD12 LEU A 295 39.853 -2.701 -6.353 1.00 0.00 H new ATOM 0 HD13 LEU A 295 40.661 -4.106 -5.617 1.00 0.00 H new ATOM 0 HD21 LEU A 295 38.160 -5.135 -4.143 1.00 0.00 H new ATOM 0 HD22 LEU A 295 39.766 -5.005 -3.387 1.00 0.00 H new ATOM 0 HD23 LEU A 295 38.365 -4.196 -2.645 1.00 0.00 H new ATOM 505 N GLN A 296 43.231 -1.179 -3.936 1.00 0.00 N ATOM 506 CA GLN A 296 44.167 -0.427 -4.760 1.00 0.00 C ATOM 507 C GLN A 296 44.746 -1.302 -5.868 1.00 0.00 C ATOM 508 O GLN A 296 44.906 -0.856 -7.004 1.00 0.00 O ATOM 509 CB GLN A 296 45.297 0.138 -3.896 1.00 0.00 C ATOM 510 CG GLN A 296 45.160 1.626 -3.618 1.00 0.00 C ATOM 511 CD GLN A 296 46.495 2.296 -3.353 1.00 0.00 C ATOM 512 OE1 GLN A 296 46.844 2.575 -2.206 1.00 0.00 O ATOM 513 NE2 GLN A 296 47.247 2.559 -4.415 1.00 0.00 N ATOM 0 H GLN A 296 43.258 -0.942 -2.944 1.00 0.00 H new ATOM 0 HA GLN A 296 43.624 0.397 -5.222 1.00 0.00 H new ATOM 0 HB2 GLN A 296 45.323 -0.400 -2.948 1.00 0.00 H new ATOM 0 HB3 GLN A 296 46.250 -0.045 -4.393 1.00 0.00 H new ATOM 0 HG2 GLN A 296 44.679 2.108 -4.469 1.00 0.00 H new ATOM 0 HG3 GLN A 296 44.507 1.772 -2.757 1.00 0.00 H new ATOM 0 HE21 GLN A 296 46.917 2.310 -5.348 1.00 0.00 H new ATOM 0 HE22 GLN A 296 48.154 3.010 -4.298 1.00 0.00 H new ATOM 522 N GLY A 297 45.062 -2.548 -5.530 1.00 0.00 N ATOM 523 CA GLY A 297 45.622 -3.464 -6.508 1.00 0.00 C ATOM 524 C GLY A 297 44.736 -3.634 -7.724 1.00 0.00 C ATOM 525 O GLY A 297 45.184 -3.452 -8.858 1.00 0.00 O ATOM 0 H GLY A 297 44.940 -2.940 -4.596 1.00 0.00 H new ATOM 0 HA2 GLY A 297 46.599 -3.099 -6.824 1.00 0.00 H new ATOM 0 HA3 GLY A 297 45.781 -4.436 -6.040 1.00 0.00 H new ATOM 529 N ALA A 298 43.476 -3.988 -7.495 1.00 0.00 N ATOM 530 CA ALA A 298 42.532 -4.187 -8.587 1.00 0.00 C ATOM 531 C ALA A 298 42.886 -5.436 -9.385 1.00 0.00 C ATOM 532 O ALA A 298 43.092 -5.374 -10.597 1.00 0.00 O ATOM 533 CB ALA A 298 42.514 -2.965 -9.492 1.00 0.00 C ATOM 0 H ALA A 298 43.086 -4.143 -6.565 1.00 0.00 H new ATOM 0 HA ALA A 298 41.537 -4.325 -8.164 1.00 0.00 H new ATOM 0 HB1 ALA A 298 41.805 -3.124 -10.305 1.00 0.00 H new ATOM 0 HB2 ALA A 298 42.214 -2.090 -8.916 1.00 0.00 H new ATOM 0 HB3 ALA A 298 43.510 -2.804 -9.905 1.00 0.00 H new ATOM 539 N GLU A 299 42.963 -6.568 -8.694 1.00 0.00 N ATOM 540 CA GLU A 299 43.299 -7.834 -9.334 1.00 0.00 C ATOM 541 C GLU A 299 43.687 -8.882 -8.297 1.00 0.00 C ATOM 542 O GLU A 299 44.805 -9.396 -8.309 1.00 0.00 O ATOM 543 CB GLU A 299 44.448 -7.633 -10.324 1.00 0.00 C ATOM 544 CG GLU A 299 45.518 -6.675 -9.825 1.00 0.00 C ATOM 545 CD GLU A 299 46.831 -7.371 -9.527 1.00 0.00 C ATOM 546 OE1 GLU A 299 47.448 -7.904 -10.473 1.00 0.00 O ATOM 547 OE2 GLU A 299 47.243 -7.385 -8.348 1.00 0.00 O ATOM 0 H GLU A 299 42.797 -6.635 -7.690 1.00 0.00 H new ATOM 0 HA GLU A 299 42.419 -8.189 -9.870 1.00 0.00 H new ATOM 0 HB2 GLU A 299 44.907 -8.599 -10.537 1.00 0.00 H new ATOM 0 HB3 GLU A 299 44.045 -7.257 -11.265 1.00 0.00 H new ATOM 0 HG2 GLU A 299 45.684 -5.900 -10.573 1.00 0.00 H new ATOM 0 HG3 GLU A 299 45.162 -6.177 -8.923 1.00 0.00 H new ATOM 554 N PHE A 300 42.758 -9.192 -7.400 1.00 0.00 N ATOM 555 CA PHE A 300 43.006 -10.179 -6.356 1.00 0.00 C ATOM 556 C PHE A 300 41.871 -11.197 -6.284 1.00 0.00 C ATOM 557 O PHE A 300 40.894 -11.001 -5.562 1.00 0.00 O ATOM 558 CB PHE A 300 43.172 -9.487 -5.002 1.00 0.00 C ATOM 559 CG PHE A 300 44.281 -8.474 -4.977 1.00 0.00 C ATOM 560 CD1 PHE A 300 45.541 -8.798 -5.455 1.00 0.00 C ATOM 561 CD2 PHE A 300 44.063 -7.201 -4.478 1.00 0.00 C ATOM 562 CE1 PHE A 300 46.564 -7.869 -5.433 1.00 0.00 C ATOM 563 CE2 PHE A 300 45.083 -6.266 -4.455 1.00 0.00 C ATOM 564 CZ PHE A 300 46.335 -6.602 -4.934 1.00 0.00 C ATOM 0 H PHE A 300 41.828 -8.775 -7.375 1.00 0.00 H new ATOM 0 HA PHE A 300 43.927 -10.708 -6.603 1.00 0.00 H new ATOM 0 HB2 PHE A 300 42.236 -8.995 -4.737 1.00 0.00 H new ATOM 0 HB3 PHE A 300 43.363 -10.241 -4.239 1.00 0.00 H new ATOM 0 HD1 PHE A 300 45.725 -9.787 -5.849 1.00 0.00 H new ATOM 0 HD2 PHE A 300 43.086 -6.935 -4.103 1.00 0.00 H new ATOM 0 HE1 PHE A 300 47.542 -8.134 -5.806 1.00 0.00 H new ATOM 0 HE2 PHE A 300 44.901 -5.276 -4.064 1.00 0.00 H new ATOM 0 HZ PHE A 300 47.133 -5.875 -4.918 1.00 0.00 H new ATOM 574 N GLY A 301 42.008 -12.281 -7.040 1.00 0.00 N ATOM 575 CA GLY A 301 40.989 -13.313 -7.048 1.00 0.00 C ATOM 576 C GLY A 301 41.218 -14.364 -5.980 1.00 0.00 C ATOM 577 O GLY A 301 40.661 -15.460 -6.047 1.00 0.00 O ATOM 0 H GLY A 301 42.807 -12.463 -7.647 1.00 0.00 H new ATOM 0 HA2 GLY A 301 40.011 -12.855 -6.898 1.00 0.00 H new ATOM 0 HA3 GLY A 301 40.970 -13.792 -8.027 1.00 0.00 H new ATOM 581 N GLN A 302 42.039 -14.029 -4.990 1.00 0.00 N ATOM 582 CA GLN A 302 42.342 -14.952 -3.902 1.00 0.00 C ATOM 583 C GLN A 302 42.600 -14.194 -2.604 1.00 0.00 C ATOM 584 O GLN A 302 41.768 -14.195 -1.697 1.00 0.00 O ATOM 585 CB GLN A 302 43.561 -15.808 -4.257 1.00 0.00 C ATOM 586 CG GLN A 302 43.421 -17.269 -3.859 1.00 0.00 C ATOM 587 CD GLN A 302 43.609 -17.491 -2.370 1.00 0.00 C ATOM 588 OE1 GLN A 302 42.714 -17.215 -1.573 1.00 0.00 O ATOM 589 NE2 GLN A 302 44.778 -17.995 -1.989 1.00 0.00 N ATOM 0 H GLN A 302 42.506 -13.125 -4.919 1.00 0.00 H new ATOM 0 HA GLN A 302 41.479 -15.602 -3.758 1.00 0.00 H new ATOM 0 HB2 GLN A 302 43.735 -15.749 -5.331 1.00 0.00 H new ATOM 0 HB3 GLN A 302 44.441 -15.391 -3.768 1.00 0.00 H new ATOM 0 HG2 GLN A 302 42.435 -17.629 -4.154 1.00 0.00 H new ATOM 0 HG3 GLN A 302 44.154 -17.862 -4.406 1.00 0.00 H new ATOM 0 HE21 GLN A 302 45.492 -18.209 -2.685 1.00 0.00 H new ATOM 0 HE22 GLN A 302 44.961 -18.168 -1.001 1.00 0.00 H new ATOM 598 N ALA A 303 43.759 -13.546 -2.524 1.00 0.00 N ATOM 599 CA ALA A 303 44.129 -12.782 -1.338 1.00 0.00 C ATOM 600 C ALA A 303 45.298 -11.848 -1.633 1.00 0.00 C ATOM 601 O ALA A 303 45.502 -11.433 -2.774 1.00 0.00 O ATOM 602 CB ALA A 303 44.476 -13.722 -0.194 1.00 0.00 C ATOM 0 H ALA A 303 44.458 -13.535 -3.267 1.00 0.00 H new ATOM 0 HA ALA A 303 43.275 -12.172 -1.045 1.00 0.00 H new ATOM 0 HB1 ALA A 303 44.750 -13.139 0.685 1.00 0.00 H new ATOM 0 HB2 ALA A 303 43.613 -14.346 0.039 1.00 0.00 H new ATOM 0 HB3 ALA A 303 45.314 -14.356 -0.485 1.00 0.00 H new ATOM 608 N GLU A 304 46.066 -11.522 -0.597 1.00 0.00 N ATOM 609 CA GLU A 304 47.217 -10.638 -0.748 1.00 0.00 C ATOM 610 C GLU A 304 48.461 -11.429 -1.139 1.00 0.00 C ATOM 611 O GLU A 304 49.511 -11.305 -0.508 1.00 0.00 O ATOM 612 CB GLU A 304 47.475 -9.873 0.551 1.00 0.00 C ATOM 613 CG GLU A 304 47.484 -10.758 1.787 1.00 0.00 C ATOM 614 CD GLU A 304 46.391 -10.393 2.773 1.00 0.00 C ATOM 615 OE1 GLU A 304 45.202 -10.481 2.400 1.00 0.00 O ATOM 616 OE2 GLU A 304 46.725 -10.023 3.918 1.00 0.00 O ATOM 0 H GLU A 304 45.912 -11.856 0.354 1.00 0.00 H new ATOM 0 HA GLU A 304 46.994 -9.926 -1.542 1.00 0.00 H new ATOM 0 HB2 GLU A 304 48.433 -9.359 0.476 1.00 0.00 H new ATOM 0 HB3 GLU A 304 46.710 -9.106 0.669 1.00 0.00 H new ATOM 0 HG2 GLU A 304 47.364 -11.798 1.485 1.00 0.00 H new ATOM 0 HG3 GLU A 304 48.453 -10.679 2.279 1.00 0.00 H new ATOM 623 N SER A 305 48.334 -12.243 -2.181 1.00 0.00 N ATOM 624 CA SER A 305 49.448 -13.055 -2.656 1.00 0.00 C ATOM 625 C SER A 305 49.979 -12.523 -3.983 1.00 0.00 C ATOM 626 O SER A 305 51.075 -11.965 -4.045 1.00 0.00 O ATOM 627 CB SER A 305 49.012 -14.512 -2.817 1.00 0.00 C ATOM 628 OG SER A 305 48.327 -14.971 -1.666 1.00 0.00 O ATOM 0 H SER A 305 47.471 -12.358 -2.713 1.00 0.00 H new ATOM 0 HA SER A 305 50.246 -13.001 -1.916 1.00 0.00 H new ATOM 0 HB2 SER A 305 48.366 -14.607 -3.690 1.00 0.00 H new ATOM 0 HB3 SER A 305 49.886 -15.138 -2.997 1.00 0.00 H new ATOM 0 HG SER A 305 48.058 -15.904 -1.796 1.00 0.00 H new ATOM 634 N ALA A 306 49.198 -12.700 -5.044 1.00 0.00 N ATOM 635 CA ALA A 306 49.592 -12.239 -6.370 1.00 0.00 C ATOM 636 C ALA A 306 50.792 -13.024 -6.887 1.00 0.00 C ATOM 637 O ALA A 306 51.445 -12.618 -7.848 1.00 0.00 O ATOM 638 CB ALA A 306 49.905 -10.750 -6.339 1.00 0.00 C ATOM 0 H ALA A 306 48.288 -13.160 -5.011 1.00 0.00 H new ATOM 0 HA ALA A 306 48.758 -12.409 -7.051 1.00 0.00 H new ATOM 0 HB1 ALA A 306 50.198 -10.419 -7.335 1.00 0.00 H new ATOM 0 HB2 ALA A 306 49.021 -10.199 -6.019 1.00 0.00 H new ATOM 0 HB3 ALA A 306 50.721 -10.564 -5.641 1.00 0.00 H new ATOM 644 N ASP A 307 51.076 -14.150 -6.242 1.00 0.00 N ATOM 645 CA ASP A 307 52.198 -14.995 -6.636 1.00 0.00 C ATOM 646 C ASP A 307 53.464 -14.165 -6.821 1.00 0.00 C ATOM 647 O ASP A 307 54.064 -14.240 -7.913 1.00 0.00 O ATOM 648 CB ASP A 307 51.872 -15.745 -7.929 1.00 0.00 C ATOM 649 CG ASP A 307 50.419 -16.171 -8.003 1.00 0.00 C ATOM 650 OD1 ASP A 307 49.576 -15.340 -8.399 1.00 0.00 O ATOM 651 OD2 ASP A 307 50.125 -17.337 -7.664 1.00 0.00 O ATOM 652 OXT ASP A 307 53.844 -13.447 -5.873 1.00 0.00 O ATOM 0 H ASP A 307 50.545 -14.499 -5.444 1.00 0.00 H new ATOM 0 HA ASP A 307 52.372 -15.719 -5.840 1.00 0.00 H new ATOM 0 HB2 ASP A 307 52.104 -15.109 -8.783 1.00 0.00 H new ATOM 0 HB3 ASP A 307 52.510 -16.626 -8.005 1.00 0.00 H new TER 657 ASP A 307