USER MOD reduce.3.24.130724 H: found=0, std=0, add=312, rem=0, adj=13 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 USER MOD Set 1.2: A 281 MET CE :methyl -161:sc= -5.14! (180deg=-6.78!) USER MOD Single : A 263 MET CE :methyl -154:sc= -0.198 (180deg=-1.15) USER MOD Single : A 264 THR OG1 : rot 180:sc= 0.00919 USER MOD Single : A 266 SER OG : rot 123:sc= 0.0319 USER MOD Single : A 267 GLN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 268 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 273 THR OG1 : rot 180:sc= 0 USER MOD Single : A 279 SER OG : rot -5:sc= 0.723 USER MOD Single : A 282 THR OG1 : rot 180:sc= -0.653 USER MOD Single : A 286 GLN : amide:sc= 0.471 X(o=0.47,f=0) USER MOD Single : A 289 TYR OH : rot 180:sc= -1.77! USER MOD Single : A 291 MET CE :methyl -111:sc= -9! (180deg=-10.4!) USER MOD Single : A 292 GLN : amide:sc= -0.0684 K(o=-0.068,f=-1.4!) USER MOD Single : A 293 MET CE :methyl -138:sc= -1.7! (180deg=-4.79!) USER MOD Single : A 294 SER OG : rot 180:sc= 0 USER MOD Single : A 296 GLN : amide:sc= -0.312 X(o=-0.31,f=-0.052) USER MOD Single : A 302 GLN : amide:sc= -0.0252 K(o=-0.025,f=-1.4) USER MOD Single : A 305 SER OG : rot 180:sc= -0.268 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 263 16.196 -4.396 11.441 1.00 0.00 N ATOM 2 CA MET A 263 16.540 -3.397 10.396 1.00 0.00 C ATOM 3 C MET A 263 15.353 -2.491 10.086 1.00 0.00 C ATOM 4 O MET A 263 15.091 -2.169 8.927 1.00 0.00 O ATOM 5 CB MET A 263 16.977 -4.143 9.134 1.00 0.00 C ATOM 6 CG MET A 263 17.782 -3.287 8.171 1.00 0.00 C ATOM 7 SD MET A 263 17.505 -3.735 6.446 1.00 0.00 S ATOM 8 CE MET A 263 17.427 -5.520 6.569 1.00 0.00 C ATOM 0 HA MET A 263 17.350 -2.764 10.759 1.00 0.00 H new ATOM 0 HB2 MET A 263 17.572 -5.010 9.422 1.00 0.00 H new ATOM 0 HB3 MET A 263 16.093 -4.520 8.620 1.00 0.00 H new ATOM 0 HG2 MET A 263 17.520 -2.239 8.317 1.00 0.00 H new ATOM 0 HG3 MET A 263 18.843 -3.386 8.402 1.00 0.00 H new ATOM 0 HE1 MET A 263 17.720 -5.963 5.617 1.00 0.00 H new ATOM 0 HE2 MET A 263 18.105 -5.861 7.352 1.00 0.00 H new ATOM 0 HE3 MET A 263 16.409 -5.824 6.813 1.00 0.00 H new ATOM 20 N THR A 264 14.638 -2.080 11.128 1.00 0.00 N ATOM 21 CA THR A 264 13.480 -1.208 10.966 1.00 0.00 C ATOM 22 C THR A 264 13.852 0.246 11.237 1.00 0.00 C ATOM 23 O THR A 264 13.184 0.935 12.006 1.00 0.00 O ATOM 24 CB THR A 264 12.353 -1.641 11.904 1.00 0.00 C ATOM 25 OG1 THR A 264 12.842 -1.840 13.219 1.00 0.00 O ATOM 26 CG2 THR A 264 11.671 -2.921 11.469 1.00 0.00 C ATOM 0 H THR A 264 14.840 -2.337 12.094 1.00 0.00 H new ATOM 0 HA THR A 264 13.136 -1.291 9.935 1.00 0.00 H new ATOM 0 HB THR A 264 11.624 -0.831 11.873 1.00 0.00 H new ATOM 0 HG1 THR A 264 12.105 -2.115 13.804 1.00 0.00 H new ATOM 0 HG21 THR A 264 10.882 -3.172 12.178 1.00 0.00 H new ATOM 0 HG22 THR A 264 11.239 -2.784 10.478 1.00 0.00 H new ATOM 0 HG23 THR A 264 12.401 -3.730 11.438 1.00 0.00 H new ATOM 34 N ILE A 265 14.925 0.706 10.599 1.00 0.00 N ATOM 35 CA ILE A 265 15.388 2.077 10.770 1.00 0.00 C ATOM 36 C ILE A 265 15.742 2.709 9.429 1.00 0.00 C ATOM 37 O ILE A 265 16.401 3.747 9.377 1.00 0.00 O ATOM 38 CB ILE A 265 16.617 2.147 11.699 1.00 0.00 C ATOM 39 CG1 ILE A 265 17.305 0.783 11.784 1.00 0.00 C ATOM 40 CG2 ILE A 265 16.210 2.629 13.083 1.00 0.00 C ATOM 41 CD1 ILE A 265 18.085 0.420 10.540 1.00 0.00 C ATOM 0 H ILE A 265 15.489 0.148 9.959 1.00 0.00 H new ATOM 0 HA ILE A 265 14.567 2.632 11.225 1.00 0.00 H new ATOM 0 HB ILE A 265 17.326 2.862 11.280 1.00 0.00 H new ATOM 0 HG12 ILE A 265 17.980 0.778 12.640 1.00 0.00 H new ATOM 0 HG13 ILE A 265 16.552 0.016 11.967 1.00 0.00 H new ATOM 0 HG21 ILE A 265 17.089 2.673 13.726 1.00 0.00 H new ATOM 0 HG22 ILE A 265 15.766 3.622 13.007 1.00 0.00 H new ATOM 0 HG23 ILE A 265 15.482 1.938 13.509 1.00 0.00 H new ATOM 0 HD11 ILE A 265 18.545 -0.559 10.672 1.00 0.00 H new ATOM 0 HD12 ILE A 265 17.411 0.392 9.684 1.00 0.00 H new ATOM 0 HD13 ILE A 265 18.861 1.165 10.367 1.00 0.00 H new ATOM 53 N SER A 266 15.303 2.075 8.347 1.00 0.00 N ATOM 54 CA SER A 266 15.575 2.577 7.005 1.00 0.00 C ATOM 55 C SER A 266 14.389 2.326 6.079 1.00 0.00 C ATOM 56 O SER A 266 13.644 1.362 6.255 1.00 0.00 O ATOM 57 CB SER A 266 16.830 1.912 6.436 1.00 0.00 C ATOM 58 OG SER A 266 17.122 2.398 5.137 1.00 0.00 O ATOM 0 H SER A 266 14.758 1.213 8.373 1.00 0.00 H new ATOM 0 HA SER A 266 15.739 3.653 7.072 1.00 0.00 H new ATOM 0 HB2 SER A 266 17.676 2.100 7.097 1.00 0.00 H new ATOM 0 HB3 SER A 266 16.688 0.832 6.400 1.00 0.00 H new ATOM 0 HG SER A 266 18.029 2.768 5.123 1.00 0.00 H new ATOM 64 N GLN A 267 14.220 3.202 5.094 1.00 0.00 N ATOM 65 CA GLN A 267 13.125 3.076 4.139 1.00 0.00 C ATOM 66 C GLN A 267 13.652 3.045 2.708 1.00 0.00 C ATOM 67 O GLN A 267 12.943 3.397 1.766 1.00 0.00 O ATOM 68 CB GLN A 267 12.139 4.234 4.306 1.00 0.00 C ATOM 69 CG GLN A 267 11.546 4.331 5.702 1.00 0.00 C ATOM 70 CD GLN A 267 11.137 5.745 6.064 1.00 0.00 C ATOM 71 OE1 GLN A 267 11.975 6.642 6.155 1.00 0.00 O ATOM 72 NE2 GLN A 267 9.842 5.950 6.275 1.00 0.00 N ATOM 0 H GLN A 267 14.827 4.006 4.936 1.00 0.00 H new ATOM 0 HA GLN A 267 12.609 2.137 4.338 1.00 0.00 H new ATOM 0 HB2 GLN A 267 12.647 5.169 4.070 1.00 0.00 H new ATOM 0 HB3 GLN A 267 11.331 4.119 3.584 1.00 0.00 H new ATOM 0 HG2 GLN A 267 10.677 3.677 5.770 1.00 0.00 H new ATOM 0 HG3 GLN A 267 12.274 3.970 6.428 1.00 0.00 H new ATOM 0 HE21 GLN A 267 9.183 5.177 6.188 1.00 0.00 H new ATOM 0 HE22 GLN A 267 9.507 6.881 6.524 1.00 0.00 H new ATOM 81 N GLN A 268 14.902 2.621 2.554 1.00 0.00 N ATOM 82 CA GLN A 268 15.528 2.542 1.240 1.00 0.00 C ATOM 83 C GLN A 268 15.086 3.703 0.355 1.00 0.00 C ATOM 84 O GLN A 268 14.689 3.506 -0.793 1.00 0.00 O ATOM 85 CB GLN A 268 15.181 1.212 0.567 1.00 0.00 C ATOM 86 CG GLN A 268 13.865 0.617 1.039 1.00 0.00 C ATOM 87 CD GLN A 268 13.725 -0.849 0.677 1.00 0.00 C ATOM 88 OE1 GLN A 268 14.426 -1.703 1.217 1.00 0.00 O ATOM 89 NE2 GLN A 268 12.816 -1.145 -0.245 1.00 0.00 N ATOM 0 H GLN A 268 15.502 2.326 3.325 1.00 0.00 H new ATOM 0 HA GLN A 268 16.608 2.603 1.375 1.00 0.00 H new ATOM 0 HB2 GLN A 268 15.137 1.361 -0.512 1.00 0.00 H new ATOM 0 HB3 GLN A 268 15.982 0.498 0.758 1.00 0.00 H new ATOM 0 HG2 GLN A 268 13.787 0.730 2.120 1.00 0.00 H new ATOM 0 HG3 GLN A 268 13.039 1.176 0.600 1.00 0.00 H new ATOM 0 HE21 GLN A 268 12.257 -0.403 -0.666 1.00 0.00 H new ATOM 0 HE22 GLN A 268 12.677 -2.114 -0.532 1.00 0.00 H new ATOM 98 N GLU A 269 15.160 4.915 0.896 1.00 0.00 N ATOM 99 CA GLU A 269 14.769 6.109 0.156 1.00 0.00 C ATOM 100 C GLU A 269 15.508 7.337 0.676 1.00 0.00 C ATOM 101 O GLU A 269 14.904 8.233 1.267 1.00 0.00 O ATOM 102 CB GLU A 269 13.258 6.325 0.258 1.00 0.00 C ATOM 103 CG GLU A 269 12.556 6.355 -1.089 1.00 0.00 C ATOM 104 CD GLU A 269 12.415 7.760 -1.642 1.00 0.00 C ATOM 105 OE1 GLU A 269 13.338 8.213 -2.351 1.00 0.00 O ATOM 106 OE2 GLU A 269 11.383 8.406 -1.366 1.00 0.00 O ATOM 0 H GLU A 269 15.487 5.096 1.845 1.00 0.00 H new ATOM 0 HA GLU A 269 15.037 5.963 -0.890 1.00 0.00 H new ATOM 0 HB2 GLU A 269 12.826 5.530 0.866 1.00 0.00 H new ATOM 0 HB3 GLU A 269 13.068 7.264 0.779 1.00 0.00 H new ATOM 0 HG2 GLU A 269 13.113 5.743 -1.799 1.00 0.00 H new ATOM 0 HG3 GLU A 269 11.567 5.907 -0.989 1.00 0.00 H new ATOM 113 N PHE A 270 16.819 7.373 0.454 1.00 0.00 N ATOM 114 CA PHE A 270 17.640 8.492 0.900 1.00 0.00 C ATOM 115 C PHE A 270 19.071 8.355 0.392 1.00 0.00 C ATOM 116 O PHE A 270 19.630 9.290 -0.181 1.00 0.00 O ATOM 117 CB PHE A 270 17.636 8.577 2.427 1.00 0.00 C ATOM 118 CG PHE A 270 17.544 9.982 2.949 1.00 0.00 C ATOM 119 CD1 PHE A 270 18.198 11.019 2.304 1.00 0.00 C ATOM 120 CD2 PHE A 270 16.802 10.266 4.084 1.00 0.00 C ATOM 121 CE1 PHE A 270 18.115 12.313 2.781 1.00 0.00 C ATOM 122 CE2 PHE A 270 16.714 11.558 4.567 1.00 0.00 C ATOM 123 CZ PHE A 270 17.372 12.583 3.915 1.00 0.00 C ATOM 0 H PHE A 270 17.335 6.639 -0.032 1.00 0.00 H new ATOM 0 HA PHE A 270 17.214 9.408 0.490 1.00 0.00 H new ATOM 0 HB2 PHE A 270 16.796 7.999 2.813 1.00 0.00 H new ATOM 0 HB3 PHE A 270 18.545 8.114 2.811 1.00 0.00 H new ATOM 0 HD1 PHE A 270 18.780 10.813 1.418 1.00 0.00 H new ATOM 0 HD2 PHE A 270 16.286 9.468 4.598 1.00 0.00 H new ATOM 0 HE1 PHE A 270 18.630 13.112 2.269 1.00 0.00 H new ATOM 0 HE2 PHE A 270 16.132 11.766 5.453 1.00 0.00 H new ATOM 0 HZ PHE A 270 17.306 13.593 4.291 1.00 0.00 H new ATOM 133 N GLY A 271 19.660 7.182 0.606 1.00 0.00 N ATOM 134 CA GLY A 271 21.021 6.945 0.164 1.00 0.00 C ATOM 135 C GLY A 271 21.168 7.028 -1.343 1.00 0.00 C ATOM 136 O GLY A 271 22.120 7.624 -1.845 1.00 0.00 O ATOM 0 H GLY A 271 19.219 6.392 1.077 1.00 0.00 H new ATOM 0 HA2 GLY A 271 21.683 7.675 0.631 1.00 0.00 H new ATOM 0 HA3 GLY A 271 21.343 5.960 0.503 1.00 0.00 H new ATOM 140 N ARG A 272 20.218 6.431 -2.060 1.00 0.00 N ATOM 141 CA ARG A 272 20.230 6.432 -3.521 1.00 0.00 C ATOM 142 C ARG A 272 19.466 5.232 -4.072 1.00 0.00 C ATOM 143 O ARG A 272 19.067 5.222 -5.237 1.00 0.00 O ATOM 144 CB ARG A 272 21.668 6.417 -4.050 1.00 0.00 C ATOM 145 CG ARG A 272 21.775 6.059 -5.524 1.00 0.00 C ATOM 146 CD ARG A 272 22.715 7.002 -6.257 1.00 0.00 C ATOM 147 NE ARG A 272 22.398 8.402 -5.994 1.00 0.00 N ATOM 148 CZ ARG A 272 23.128 9.420 -6.438 1.00 0.00 C ATOM 149 NH1 ARG A 272 24.218 9.192 -7.158 1.00 0.00 N ATOM 150 NH2 ARG A 272 22.769 10.666 -6.162 1.00 0.00 N ATOM 0 H ARG A 272 19.425 5.937 -1.649 1.00 0.00 H new ATOM 0 HA ARG A 272 19.738 7.345 -3.857 1.00 0.00 H new ATOM 0 HB2 ARG A 272 22.114 7.399 -3.891 1.00 0.00 H new ATOM 0 HB3 ARG A 272 22.252 5.703 -3.469 1.00 0.00 H new ATOM 0 HG2 ARG A 272 22.133 5.034 -5.626 1.00 0.00 H new ATOM 0 HG3 ARG A 272 20.787 6.099 -5.982 1.00 0.00 H new ATOM 0 HD2 ARG A 272 23.742 6.799 -5.953 1.00 0.00 H new ATOM 0 HD3 ARG A 272 22.656 6.812 -7.329 1.00 0.00 H new ATOM 0 HE ARG A 272 21.569 8.611 -5.438 1.00 0.00 H new ATOM 0 HH11 ARG A 272 24.497 8.234 -7.372 1.00 0.00 H new ATOM 0 HH12 ARG A 272 24.777 9.974 -7.498 1.00 0.00 H new ATOM 0 HH21 ARG A 272 21.931 10.845 -5.608 1.00 0.00 H new ATOM 0 HH22 ARG A 272 23.330 11.446 -6.504 1.00 0.00 H new ATOM 164 N THR A 273 19.274 4.221 -3.227 1.00 0.00 N ATOM 165 CA THR A 273 18.567 3.005 -3.618 1.00 0.00 C ATOM 166 C THR A 273 19.553 1.972 -4.154 1.00 0.00 C ATOM 167 O THR A 273 19.296 0.768 -4.115 1.00 0.00 O ATOM 168 CB THR A 273 17.482 3.315 -4.659 1.00 0.00 C ATOM 169 OG1 THR A 273 16.333 2.517 -4.436 1.00 0.00 O ATOM 170 CG2 THR A 273 17.922 3.091 -6.093 1.00 0.00 C ATOM 0 H THR A 273 19.601 4.221 -2.261 1.00 0.00 H new ATOM 0 HA THR A 273 18.077 2.591 -2.737 1.00 0.00 H new ATOM 0 HB THR A 273 17.266 4.376 -4.531 1.00 0.00 H new ATOM 0 HG1 THR A 273 15.652 2.729 -5.108 1.00 0.00 H new ATOM 0 HG21 THR A 273 17.100 3.332 -6.768 1.00 0.00 H new ATOM 0 HG22 THR A 273 18.775 3.732 -6.316 1.00 0.00 H new ATOM 0 HG23 THR A 273 18.208 2.048 -6.227 1.00 0.00 H new ATOM 178 N GLY A 274 20.687 2.457 -4.648 1.00 0.00 N ATOM 179 CA GLY A 274 21.707 1.575 -5.179 1.00 0.00 C ATOM 180 C GLY A 274 22.973 1.606 -4.346 1.00 0.00 C ATOM 181 O GLY A 274 23.822 0.722 -4.462 1.00 0.00 O ATOM 0 H GLY A 274 20.918 3.450 -4.690 1.00 0.00 H new ATOM 0 HA2 GLY A 274 21.322 0.556 -5.216 1.00 0.00 H new ATOM 0 HA3 GLY A 274 21.940 1.865 -6.204 1.00 0.00 H new ATOM 185 N LEU A 275 23.098 2.627 -3.502 1.00 0.00 N ATOM 186 CA LEU A 275 24.266 2.770 -2.642 1.00 0.00 C ATOM 187 C LEU A 275 23.982 2.233 -1.244 1.00 0.00 C ATOM 188 O LEU A 275 22.827 2.149 -0.823 1.00 0.00 O ATOM 189 CB LEU A 275 24.688 4.238 -2.560 1.00 0.00 C ATOM 190 CG LEU A 275 25.947 4.598 -3.350 1.00 0.00 C ATOM 191 CD1 LEU A 275 26.001 3.819 -4.654 1.00 0.00 C ATOM 192 CD2 LEU A 275 25.996 6.094 -3.618 1.00 0.00 C ATOM 0 H LEU A 275 22.404 3.367 -3.396 1.00 0.00 H new ATOM 0 HA LEU A 275 25.079 2.188 -3.077 1.00 0.00 H new ATOM 0 HB2 LEU A 275 23.865 4.857 -2.917 1.00 0.00 H new ATOM 0 HB3 LEU A 275 24.849 4.495 -1.513 1.00 0.00 H new ATOM 0 HG LEU A 275 26.818 4.326 -2.753 1.00 0.00 H new ATOM 0 HD11 LEU A 275 26.904 4.089 -5.202 1.00 0.00 H new ATOM 0 HD12 LEU A 275 26.013 2.750 -4.439 1.00 0.00 H new ATOM 0 HD13 LEU A 275 25.125 4.058 -5.257 1.00 0.00 H new ATOM 0 HD21 LEU A 275 26.898 6.333 -4.181 1.00 0.00 H new ATOM 0 HD22 LEU A 275 25.119 6.389 -4.195 1.00 0.00 H new ATOM 0 HD23 LEU A 275 26.006 6.633 -2.671 1.00 0.00 H new ATOM 204 N PRO A 276 25.037 1.864 -0.504 1.00 0.00 N ATOM 205 CA PRO A 276 24.907 1.335 0.851 1.00 0.00 C ATOM 206 C PRO A 276 24.728 2.437 1.887 1.00 0.00 C ATOM 207 O PRO A 276 25.636 3.234 2.130 1.00 0.00 O ATOM 208 CB PRO A 276 26.232 0.611 1.064 1.00 0.00 C ATOM 209 CG PRO A 276 27.212 1.365 0.232 1.00 0.00 C ATOM 210 CD PRO A 276 26.444 1.939 -0.934 1.00 0.00 C ATOM 0 HA PRO A 276 24.030 0.697 0.964 1.00 0.00 H new ATOM 0 HB2 PRO A 276 26.520 0.613 2.115 1.00 0.00 H new ATOM 0 HB3 PRO A 276 26.168 -0.432 0.753 1.00 0.00 H new ATOM 0 HG2 PRO A 276 27.683 2.158 0.813 1.00 0.00 H new ATOM 0 HG3 PRO A 276 28.010 0.709 -0.116 1.00 0.00 H new ATOM 0 HD2 PRO A 276 26.744 2.966 -1.143 1.00 0.00 H new ATOM 0 HD3 PRO A 276 26.614 1.366 -1.845 1.00 0.00 H new ATOM 218 N ASP A 277 23.549 2.475 2.492 1.00 0.00 N ATOM 219 CA ASP A 277 23.237 3.478 3.505 1.00 0.00 C ATOM 220 C ASP A 277 24.307 3.510 4.591 1.00 0.00 C ATOM 221 O ASP A 277 24.457 4.510 5.293 1.00 0.00 O ATOM 222 CB ASP A 277 21.871 3.191 4.130 1.00 0.00 C ATOM 223 CG ASP A 277 20.726 3.694 3.273 1.00 0.00 C ATOM 224 OD1 ASP A 277 20.955 3.963 2.076 1.00 0.00 O ATOM 225 OD2 ASP A 277 19.600 3.816 3.799 1.00 0.00 O ATOM 0 H ASP A 277 22.790 1.822 2.299 1.00 0.00 H new ATOM 0 HA ASP A 277 23.212 4.453 3.018 1.00 0.00 H new ATOM 0 HB2 ASP A 277 21.763 2.117 4.282 1.00 0.00 H new ATOM 0 HB3 ASP A 277 21.819 3.659 5.113 1.00 0.00 H new ATOM 230 N LEU A 278 25.048 2.411 4.716 1.00 0.00 N ATOM 231 CA LEU A 278 26.117 2.283 5.694 1.00 0.00 C ATOM 232 C LEU A 278 25.608 2.151 7.136 1.00 0.00 C ATOM 233 O LEU A 278 26.347 1.707 8.014 1.00 0.00 O ATOM 234 CB LEU A 278 27.060 3.466 5.577 1.00 0.00 C ATOM 235 CG LEU A 278 28.054 3.588 6.711 1.00 0.00 C ATOM 236 CD1 LEU A 278 29.438 3.817 6.150 1.00 0.00 C ATOM 237 CD2 LEU A 278 27.642 4.713 7.639 1.00 0.00 C ATOM 0 H LEU A 278 24.920 1.581 4.136 1.00 0.00 H new ATOM 0 HA LEU A 278 26.645 1.356 5.469 1.00 0.00 H new ATOM 0 HB2 LEU A 278 27.607 3.387 4.638 1.00 0.00 H new ATOM 0 HB3 LEU A 278 26.470 4.381 5.527 1.00 0.00 H new ATOM 0 HG LEU A 278 28.069 2.664 7.289 1.00 0.00 H new ATOM 0 HD11 LEU A 278 30.152 3.905 6.969 1.00 0.00 H new ATOM 0 HD12 LEU A 278 29.716 2.977 5.514 1.00 0.00 H new ATOM 0 HD13 LEU A 278 29.445 4.735 5.562 1.00 0.00 H new ATOM 0 HD21 LEU A 278 28.362 4.795 8.453 1.00 0.00 H new ATOM 0 HD22 LEU A 278 27.613 5.651 7.084 1.00 0.00 H new ATOM 0 HD23 LEU A 278 26.654 4.503 8.048 1.00 0.00 H new ATOM 249 N SER A 279 24.360 2.536 7.386 1.00 0.00 N ATOM 250 CA SER A 279 23.792 2.451 8.728 1.00 0.00 C ATOM 251 C SER A 279 23.229 1.059 9.002 1.00 0.00 C ATOM 252 O SER A 279 22.765 0.776 10.107 1.00 0.00 O ATOM 253 CB SER A 279 22.692 3.500 8.905 1.00 0.00 C ATOM 254 OG SER A 279 22.025 3.336 10.144 1.00 0.00 O ATOM 0 H SER A 279 23.725 2.908 6.680 1.00 0.00 H new ATOM 0 HA SER A 279 24.592 2.644 9.443 1.00 0.00 H new ATOM 0 HB2 SER A 279 23.126 4.499 8.851 1.00 0.00 H new ATOM 0 HB3 SER A 279 21.974 3.420 8.089 1.00 0.00 H new ATOM 0 HG SER A 279 22.364 2.535 10.595 1.00 0.00 H new ATOM 260 N SER A 280 23.269 0.195 7.994 1.00 0.00 N ATOM 261 CA SER A 280 22.758 -1.164 8.135 1.00 0.00 C ATOM 262 C SER A 280 23.871 -2.192 7.950 1.00 0.00 C ATOM 263 O SER A 280 23.650 -3.393 8.107 1.00 0.00 O ATOM 264 CB SER A 280 21.640 -1.418 7.123 1.00 0.00 C ATOM 265 OG SER A 280 21.591 -0.390 6.150 1.00 0.00 O ATOM 0 H SER A 280 23.649 0.410 7.072 1.00 0.00 H new ATOM 0 HA SER A 280 22.358 -1.270 9.144 1.00 0.00 H new ATOM 0 HB2 SER A 280 21.799 -2.379 6.634 1.00 0.00 H new ATOM 0 HB3 SER A 280 20.683 -1.479 7.641 1.00 0.00 H new ATOM 0 HG SER A 280 20.869 -0.576 5.514 1.00 0.00 H new ATOM 271 N MET A 281 25.065 -1.715 7.614 1.00 0.00 N ATOM 272 CA MET A 281 26.208 -2.597 7.407 1.00 0.00 C ATOM 273 C MET A 281 27.311 -2.309 8.421 1.00 0.00 C ATOM 274 O MET A 281 28.131 -3.172 8.713 1.00 0.00 O ATOM 275 CB MET A 281 26.743 -2.440 5.986 1.00 0.00 C ATOM 276 CG MET A 281 25.926 -3.189 4.947 1.00 0.00 C ATOM 277 SD MET A 281 25.478 -2.155 3.540 1.00 0.00 S ATOM 278 CE MET A 281 24.948 -0.661 4.372 1.00 0.00 C ATOM 0 H MET A 281 25.266 -0.724 7.479 1.00 0.00 H new ATOM 0 HA MET A 281 25.876 -3.625 7.550 1.00 0.00 H new ATOM 0 HB2 MET A 281 26.762 -1.381 5.728 1.00 0.00 H new ATOM 0 HB3 MET A 281 27.773 -2.795 5.952 1.00 0.00 H new ATOM 0 HG2 MET A 281 26.495 -4.049 4.594 1.00 0.00 H new ATOM 0 HG3 MET A 281 25.019 -3.575 5.413 1.00 0.00 H new ATOM 0 HE1 MET A 281 24.337 -0.064 3.695 1.00 0.00 H new ATOM 0 HE2 MET A 281 24.362 -0.923 5.253 1.00 0.00 H new ATOM 0 HE3 MET A 281 25.822 -0.084 4.676 1.00 0.00 H new ATOM 288 N THR A 282 27.309 -1.090 8.952 1.00 0.00 N ATOM 289 CA THR A 282 28.293 -0.658 9.949 1.00 0.00 C ATOM 290 C THR A 282 29.600 -1.450 9.871 1.00 0.00 C ATOM 291 O THR A 282 30.567 -1.012 9.248 1.00 0.00 O ATOM 292 CB THR A 282 27.702 -0.785 11.353 1.00 0.00 C ATOM 293 OG1 THR A 282 28.721 -1.037 12.305 1.00 0.00 O ATOM 294 CG2 THR A 282 26.679 -1.893 11.470 1.00 0.00 C ATOM 0 H THR A 282 26.628 -0.372 8.706 1.00 0.00 H new ATOM 0 HA THR A 282 28.530 0.383 9.731 1.00 0.00 H new ATOM 0 HB THR A 282 27.208 0.167 11.548 1.00 0.00 H new ATOM 0 HG1 THR A 282 28.323 -1.113 13.197 1.00 0.00 H new ATOM 0 HG21 THR A 282 26.298 -1.930 12.491 1.00 0.00 H new ATOM 0 HG22 THR A 282 25.855 -1.702 10.782 1.00 0.00 H new ATOM 0 HG23 THR A 282 27.145 -2.846 11.222 1.00 0.00 H new ATOM 302 N GLU A 283 29.623 -2.609 10.523 1.00 0.00 N ATOM 303 CA GLU A 283 30.811 -3.459 10.551 1.00 0.00 C ATOM 304 C GLU A 283 31.175 -3.979 9.163 1.00 0.00 C ATOM 305 O GLU A 283 32.296 -3.788 8.701 1.00 0.00 O ATOM 306 CB GLU A 283 30.592 -4.636 11.504 1.00 0.00 C ATOM 307 CG GLU A 283 31.881 -5.193 12.089 1.00 0.00 C ATOM 308 CD GLU A 283 31.706 -6.586 12.662 1.00 0.00 C ATOM 309 OE1 GLU A 283 30.586 -6.908 13.110 1.00 0.00 O ATOM 310 OE2 GLU A 283 32.690 -7.356 12.661 1.00 0.00 O ATOM 0 H GLU A 283 28.828 -2.983 11.042 1.00 0.00 H new ATOM 0 HA GLU A 283 31.641 -2.848 10.905 1.00 0.00 H new ATOM 0 HB2 GLU A 283 29.941 -4.317 12.318 1.00 0.00 H new ATOM 0 HB3 GLU A 283 30.071 -5.432 10.972 1.00 0.00 H new ATOM 0 HG2 GLU A 283 32.647 -5.216 11.314 1.00 0.00 H new ATOM 0 HG3 GLU A 283 32.239 -4.524 12.872 1.00 0.00 H new ATOM 317 N GLU A 284 30.233 -4.653 8.511 1.00 0.00 N ATOM 318 CA GLU A 284 30.471 -5.215 7.181 1.00 0.00 C ATOM 319 C GLU A 284 30.770 -4.130 6.152 1.00 0.00 C ATOM 320 O GLU A 284 31.454 -4.380 5.162 1.00 0.00 O ATOM 321 CB GLU A 284 29.268 -6.041 6.724 1.00 0.00 C ATOM 322 CG GLU A 284 28.495 -6.670 7.867 1.00 0.00 C ATOM 323 CD GLU A 284 28.166 -8.129 7.615 1.00 0.00 C ATOM 324 OE1 GLU A 284 28.415 -8.606 6.489 1.00 0.00 O ATOM 325 OE2 GLU A 284 27.660 -8.792 8.544 1.00 0.00 O ATOM 0 H GLU A 284 29.297 -4.825 8.879 1.00 0.00 H new ATOM 0 HA GLU A 284 31.346 -5.860 7.256 1.00 0.00 H new ATOM 0 HB2 GLU A 284 28.596 -5.403 6.150 1.00 0.00 H new ATOM 0 HB3 GLU A 284 29.612 -6.828 6.052 1.00 0.00 H new ATOM 0 HG2 GLU A 284 29.078 -6.586 8.784 1.00 0.00 H new ATOM 0 HG3 GLU A 284 27.570 -6.115 8.024 1.00 0.00 H new ATOM 332 N GLU A 285 30.260 -2.930 6.385 1.00 0.00 N ATOM 333 CA GLU A 285 30.495 -1.819 5.462 1.00 0.00 C ATOM 334 C GLU A 285 31.842 -1.163 5.735 1.00 0.00 C ATOM 335 O GLU A 285 32.465 -0.611 4.832 1.00 0.00 O ATOM 336 CB GLU A 285 29.379 -0.770 5.540 1.00 0.00 C ATOM 337 CG GLU A 285 29.052 -0.300 6.947 1.00 0.00 C ATOM 338 CD GLU A 285 29.946 0.837 7.408 1.00 0.00 C ATOM 339 OE1 GLU A 285 31.029 1.019 6.814 1.00 0.00 O ATOM 340 OE2 GLU A 285 29.562 1.546 8.361 1.00 0.00 O ATOM 0 H GLU A 285 29.686 -2.697 7.195 1.00 0.00 H new ATOM 0 HA GLU A 285 30.499 -2.235 4.455 1.00 0.00 H new ATOM 0 HB2 GLU A 285 29.667 0.093 4.940 1.00 0.00 H new ATOM 0 HB3 GLU A 285 28.477 -1.184 5.090 1.00 0.00 H new ATOM 0 HG2 GLU A 285 28.012 0.023 6.985 1.00 0.00 H new ATOM 0 HG3 GLU A 285 29.151 -1.137 7.638 1.00 0.00 H new ATOM 347 N GLN A 286 32.293 -1.236 6.981 1.00 0.00 N ATOM 348 CA GLN A 286 33.578 -0.656 7.363 1.00 0.00 C ATOM 349 C GLN A 286 34.708 -1.634 7.057 1.00 0.00 C ATOM 350 O GLN A 286 35.859 -1.240 6.864 1.00 0.00 O ATOM 351 CB GLN A 286 33.584 -0.295 8.850 1.00 0.00 C ATOM 352 CG GLN A 286 33.414 1.191 9.115 1.00 0.00 C ATOM 353 CD GLN A 286 32.835 1.474 10.488 1.00 0.00 C ATOM 354 OE1 GLN A 286 33.559 1.821 11.420 1.00 0.00 O ATOM 355 NE2 GLN A 286 31.521 1.326 10.617 1.00 0.00 N ATOM 0 H GLN A 286 31.791 -1.690 7.744 1.00 0.00 H new ATOM 0 HA GLN A 286 33.731 0.255 6.784 1.00 0.00 H new ATOM 0 HB2 GLN A 286 32.783 -0.839 9.351 1.00 0.00 H new ATOM 0 HB3 GLN A 286 34.522 -0.630 9.293 1.00 0.00 H new ATOM 0 HG2 GLN A 286 34.381 1.686 9.023 1.00 0.00 H new ATOM 0 HG3 GLN A 286 32.762 1.620 8.354 1.00 0.00 H new ATOM 0 HE21 GLN A 286 30.959 1.036 9.816 1.00 0.00 H new ATOM 0 HE22 GLN A 286 31.074 1.502 11.517 1.00 0.00 H new ATOM 364 N ILE A 287 34.356 -2.913 6.991 1.00 0.00 N ATOM 365 CA ILE A 287 35.311 -3.962 6.688 1.00 0.00 C ATOM 366 C ILE A 287 35.422 -4.107 5.187 1.00 0.00 C ATOM 367 O ILE A 287 36.508 -4.270 4.632 1.00 0.00 O ATOM 368 CB ILE A 287 34.877 -5.301 7.301 1.00 0.00 C ATOM 369 CG1 ILE A 287 33.544 -5.746 6.717 1.00 0.00 C ATOM 370 CG2 ILE A 287 34.787 -5.189 8.814 1.00 0.00 C ATOM 371 CD1 ILE A 287 33.666 -6.450 5.382 1.00 0.00 C ATOM 0 H ILE A 287 33.405 -3.247 7.146 1.00 0.00 H new ATOM 0 HA ILE A 287 36.276 -3.690 7.116 1.00 0.00 H new ATOM 0 HB ILE A 287 35.628 -6.053 7.057 1.00 0.00 H new ATOM 0 HG12 ILE A 287 33.052 -6.413 7.425 1.00 0.00 H new ATOM 0 HG13 ILE A 287 32.900 -4.874 6.600 1.00 0.00 H new ATOM 0 HG21 ILE A 287 34.478 -6.147 9.232 1.00 0.00 H new ATOM 0 HG22 ILE A 287 35.762 -4.915 9.217 1.00 0.00 H new ATOM 0 HG23 ILE A 287 34.056 -4.425 9.079 1.00 0.00 H new ATOM 0 HD11 ILE A 287 32.675 -6.737 5.030 1.00 0.00 H new ATOM 0 HD12 ILE A 287 34.128 -5.779 4.658 1.00 0.00 H new ATOM 0 HD13 ILE A 287 34.283 -7.342 5.496 1.00 0.00 H new ATOM 383 N ALA A 288 34.273 -4.003 4.537 1.00 0.00 N ATOM 384 CA ALA A 288 34.201 -4.073 3.097 1.00 0.00 C ATOM 385 C ALA A 288 34.886 -2.846 2.524 1.00 0.00 C ATOM 386 O ALA A 288 35.710 -2.931 1.612 1.00 0.00 O ATOM 387 CB ALA A 288 32.746 -4.148 2.656 1.00 0.00 C ATOM 0 H ALA A 288 33.372 -3.868 4.996 1.00 0.00 H new ATOM 0 HA ALA A 288 34.705 -4.968 2.731 1.00 0.00 H new ATOM 0 HB1 ALA A 288 32.698 -4.201 1.568 1.00 0.00 H new ATOM 0 HB2 ALA A 288 32.282 -5.037 3.083 1.00 0.00 H new ATOM 0 HB3 ALA A 288 32.215 -3.260 3.000 1.00 0.00 H new ATOM 393 N TYR A 289 34.568 -1.698 3.108 1.00 0.00 N ATOM 394 CA TYR A 289 35.175 -0.448 2.692 1.00 0.00 C ATOM 395 C TYR A 289 36.683 -0.553 2.845 1.00 0.00 C ATOM 396 O TYR A 289 37.437 -0.220 1.930 1.00 0.00 O ATOM 397 CB TYR A 289 34.634 0.715 3.518 1.00 0.00 C ATOM 398 CG TYR A 289 33.234 1.132 3.129 1.00 0.00 C ATOM 399 CD1 TYR A 289 32.433 0.300 2.356 1.00 0.00 C ATOM 400 CD2 TYR A 289 32.712 2.352 3.537 1.00 0.00 C ATOM 401 CE1 TYR A 289 31.152 0.673 2.000 1.00 0.00 C ATOM 402 CE2 TYR A 289 31.432 2.733 3.186 1.00 0.00 C ATOM 403 CZ TYR A 289 30.655 1.890 2.418 1.00 0.00 C ATOM 404 OH TYR A 289 29.379 2.265 2.065 1.00 0.00 O ATOM 0 H TYR A 289 33.895 -1.610 3.869 1.00 0.00 H new ATOM 0 HA TYR A 289 34.928 -0.258 1.647 1.00 0.00 H new ATOM 0 HB2 TYR A 289 34.642 0.436 4.572 1.00 0.00 H new ATOM 0 HB3 TYR A 289 35.302 1.569 3.409 1.00 0.00 H new ATOM 0 HD1 TYR A 289 32.819 -0.654 2.028 1.00 0.00 H new ATOM 0 HD2 TYR A 289 33.317 3.014 4.139 1.00 0.00 H new ATOM 0 HE1 TYR A 289 30.543 0.016 1.398 1.00 0.00 H new ATOM 0 HE2 TYR A 289 31.041 3.686 3.511 1.00 0.00 H new ATOM 0 HH TYR A 289 29.182 3.149 2.440 1.00 0.00 H new ATOM 414 N ALA A 290 37.116 -1.054 4.000 1.00 0.00 N ATOM 415 CA ALA A 290 38.534 -1.240 4.254 1.00 0.00 C ATOM 416 C ALA A 290 39.122 -2.154 3.190 1.00 0.00 C ATOM 417 O ALA A 290 40.298 -2.052 2.843 1.00 0.00 O ATOM 418 CB ALA A 290 38.758 -1.818 5.643 1.00 0.00 C ATOM 0 H ALA A 290 36.506 -1.335 4.767 1.00 0.00 H new ATOM 0 HA ALA A 290 39.035 -0.273 4.210 1.00 0.00 H new ATOM 0 HB1 ALA A 290 39.826 -1.950 5.814 1.00 0.00 H new ATOM 0 HB2 ALA A 290 38.352 -1.136 6.391 1.00 0.00 H new ATOM 0 HB3 ALA A 290 38.256 -2.782 5.721 1.00 0.00 H new ATOM 424 N MET A 291 38.278 -3.042 2.664 1.00 0.00 N ATOM 425 CA MET A 291 38.694 -3.971 1.622 1.00 0.00 C ATOM 426 C MET A 291 39.038 -3.207 0.346 1.00 0.00 C ATOM 427 O MET A 291 39.983 -3.551 -0.365 1.00 0.00 O ATOM 428 CB MET A 291 37.588 -5.011 1.359 1.00 0.00 C ATOM 429 CG MET A 291 36.768 -4.770 0.093 1.00 0.00 C ATOM 430 SD MET A 291 35.033 -5.223 0.281 1.00 0.00 S ATOM 431 CE MET A 291 34.231 -3.721 -0.284 1.00 0.00 C ATOM 0 H MET A 291 37.302 -3.135 2.945 1.00 0.00 H new ATOM 0 HA MET A 291 39.586 -4.502 1.956 1.00 0.00 H new ATOM 0 HB2 MET A 291 38.045 -5.998 1.296 1.00 0.00 H new ATOM 0 HB3 MET A 291 36.913 -5.026 2.215 1.00 0.00 H new ATOM 0 HG2 MET A 291 36.835 -3.717 -0.182 1.00 0.00 H new ATOM 0 HG3 MET A 291 37.200 -5.342 -0.728 1.00 0.00 H new ATOM 0 HE1 MET A 291 33.747 -3.228 0.559 1.00 0.00 H new ATOM 0 HE2 MET A 291 34.975 -3.052 -0.717 1.00 0.00 H new ATOM 0 HE3 MET A 291 33.483 -3.969 -1.037 1.00 0.00 H new ATOM 441 N GLN A 292 38.261 -2.163 0.068 1.00 0.00 N ATOM 442 CA GLN A 292 38.477 -1.343 -1.117 1.00 0.00 C ATOM 443 C GLN A 292 39.779 -0.560 -1.001 1.00 0.00 C ATOM 444 O GLN A 292 40.618 -0.596 -1.903 1.00 0.00 O ATOM 445 CB GLN A 292 37.304 -0.379 -1.317 1.00 0.00 C ATOM 446 CG GLN A 292 37.511 0.604 -2.459 1.00 0.00 C ATOM 447 CD GLN A 292 36.206 1.165 -2.989 1.00 0.00 C ATOM 448 OE1 GLN A 292 35.179 0.488 -2.983 1.00 0.00 O ATOM 449 NE2 GLN A 292 36.241 2.409 -3.452 1.00 0.00 N ATOM 0 H GLN A 292 37.477 -1.866 0.648 1.00 0.00 H new ATOM 0 HA GLN A 292 38.545 -2.004 -1.981 1.00 0.00 H new ATOM 0 HB2 GLN A 292 36.399 -0.956 -1.505 1.00 0.00 H new ATOM 0 HB3 GLN A 292 37.141 0.178 -0.394 1.00 0.00 H new ATOM 0 HG2 GLN A 292 38.143 1.424 -2.118 1.00 0.00 H new ATOM 0 HG3 GLN A 292 38.044 0.107 -3.269 1.00 0.00 H new ATOM 0 HE21 GLN A 292 37.115 2.934 -3.438 1.00 0.00 H new ATOM 0 HE22 GLN A 292 35.394 2.840 -3.822 1.00 0.00 H new ATOM 458 N MET A 293 39.945 0.142 0.114 1.00 0.00 N ATOM 459 CA MET A 293 41.149 0.928 0.348 1.00 0.00 C ATOM 460 C MET A 293 42.388 0.040 0.303 1.00 0.00 C ATOM 461 O MET A 293 43.446 0.455 -0.167 1.00 0.00 O ATOM 462 CB MET A 293 41.065 1.641 1.698 1.00 0.00 C ATOM 463 CG MET A 293 41.271 0.717 2.888 1.00 0.00 C ATOM 464 SD MET A 293 41.455 1.616 4.440 1.00 0.00 S ATOM 465 CE MET A 293 39.743 1.983 4.822 1.00 0.00 C ATOM 0 H MET A 293 39.261 0.183 0.870 1.00 0.00 H new ATOM 0 HA MET A 293 41.228 1.675 -0.442 1.00 0.00 H new ATOM 0 HB2 MET A 293 41.814 2.432 1.729 1.00 0.00 H new ATOM 0 HB3 MET A 293 40.090 2.121 1.786 1.00 0.00 H new ATOM 0 HG2 MET A 293 40.424 0.036 2.965 1.00 0.00 H new ATOM 0 HG3 MET A 293 42.157 0.105 2.719 1.00 0.00 H new ATOM 0 HE1 MET A 293 39.663 3.006 5.189 1.00 0.00 H new ATOM 0 HE2 MET A 293 39.138 1.872 3.922 1.00 0.00 H new ATOM 0 HE3 MET A 293 39.385 1.294 5.587 1.00 0.00 H new ATOM 475 N SER A 294 42.243 -1.186 0.794 1.00 0.00 N ATOM 476 CA SER A 294 43.345 -2.138 0.808 1.00 0.00 C ATOM 477 C SER A 294 43.692 -2.580 -0.610 1.00 0.00 C ATOM 478 O SER A 294 44.856 -2.818 -0.930 1.00 0.00 O ATOM 479 CB SER A 294 42.983 -3.357 1.659 1.00 0.00 C ATOM 480 OG SER A 294 44.140 -4.100 2.005 1.00 0.00 O ATOM 0 H SER A 294 41.372 -1.543 1.187 1.00 0.00 H new ATOM 0 HA SER A 294 44.215 -1.646 1.243 1.00 0.00 H new ATOM 0 HB2 SER A 294 42.471 -3.033 2.565 1.00 0.00 H new ATOM 0 HB3 SER A 294 42.289 -3.994 1.111 1.00 0.00 H new ATOM 0 HG SER A 294 43.882 -4.873 2.550 1.00 0.00 H new ATOM 486 N LEU A 295 42.672 -2.685 -1.454 1.00 0.00 N ATOM 487 CA LEU A 295 42.865 -3.095 -2.840 1.00 0.00 C ATOM 488 C LEU A 295 43.620 -2.025 -3.621 1.00 0.00 C ATOM 489 O LEU A 295 44.245 -2.312 -4.642 1.00 0.00 O ATOM 490 CB LEU A 295 41.515 -3.372 -3.505 1.00 0.00 C ATOM 491 CG LEU A 295 41.253 -4.837 -3.856 1.00 0.00 C ATOM 492 CD1 LEU A 295 42.366 -5.384 -4.736 1.00 0.00 C ATOM 493 CD2 LEU A 295 41.112 -5.670 -2.591 1.00 0.00 C ATOM 0 H LEU A 295 41.703 -2.492 -1.203 1.00 0.00 H new ATOM 0 HA LEU A 295 43.458 -4.010 -2.844 1.00 0.00 H new ATOM 0 HB2 LEU A 295 40.723 -3.026 -2.841 1.00 0.00 H new ATOM 0 HB3 LEU A 295 41.448 -2.779 -4.417 1.00 0.00 H new ATOM 0 HG LEU A 295 40.318 -4.896 -4.413 1.00 0.00 H new ATOM 0 HD11 LEU A 295 42.161 -6.428 -4.975 1.00 0.00 H new ATOM 0 HD12 LEU A 295 42.419 -4.804 -5.658 1.00 0.00 H new ATOM 0 HD13 LEU A 295 43.316 -5.313 -4.207 1.00 0.00 H new ATOM 0 HD21 LEU A 295 40.926 -6.710 -2.859 1.00 0.00 H new ATOM 0 HD22 LEU A 295 42.031 -5.604 -2.008 1.00 0.00 H new ATOM 0 HD23 LEU A 295 40.278 -5.293 -1.998 1.00 0.00 H new ATOM 505 N GLN A 296 43.555 -0.789 -3.136 1.00 0.00 N ATOM 506 CA GLN A 296 44.231 0.326 -3.791 1.00 0.00 C ATOM 507 C GLN A 296 45.418 0.807 -2.963 1.00 0.00 C ATOM 508 O GLN A 296 45.910 1.918 -3.153 1.00 0.00 O ATOM 509 CB GLN A 296 43.251 1.478 -4.018 1.00 0.00 C ATOM 510 CG GLN A 296 42.392 1.310 -5.261 1.00 0.00 C ATOM 511 CD GLN A 296 43.096 1.768 -6.523 1.00 0.00 C ATOM 512 OE1 GLN A 296 43.156 1.040 -7.514 1.00 0.00 O ATOM 513 NE2 GLN A 296 43.634 2.982 -6.492 1.00 0.00 N ATOM 0 H GLN A 296 43.042 -0.534 -2.292 1.00 0.00 H new ATOM 0 HA GLN A 296 44.603 -0.022 -4.755 1.00 0.00 H new ATOM 0 HB2 GLN A 296 42.602 1.569 -3.147 1.00 0.00 H new ATOM 0 HB3 GLN A 296 43.811 2.410 -4.096 1.00 0.00 H new ATOM 0 HG2 GLN A 296 42.112 0.262 -5.366 1.00 0.00 H new ATOM 0 HG3 GLN A 296 41.468 1.876 -5.139 1.00 0.00 H new ATOM 0 HE21 GLN A 296 43.560 3.551 -5.649 1.00 0.00 H new ATOM 0 HE22 GLN A 296 44.121 3.345 -7.311 1.00 0.00 H new ATOM 522 N GLY A 297 45.874 -0.038 -2.042 1.00 0.00 N ATOM 523 CA GLY A 297 46.999 0.321 -1.200 1.00 0.00 C ATOM 524 C GLY A 297 48.302 -0.287 -1.679 1.00 0.00 C ATOM 525 O GLY A 297 49.383 0.194 -1.339 1.00 0.00 O ATOM 0 H GLY A 297 45.484 -0.964 -1.865 1.00 0.00 H new ATOM 0 HA2 GLY A 297 47.097 1.406 -1.174 1.00 0.00 H new ATOM 0 HA3 GLY A 297 46.803 -0.006 -0.179 1.00 0.00 H new ATOM 529 N ALA A 298 48.201 -1.351 -2.470 1.00 0.00 N ATOM 530 CA ALA A 298 49.382 -2.026 -2.995 1.00 0.00 C ATOM 531 C ALA A 298 49.226 -2.330 -4.482 1.00 0.00 C ATOM 532 O ALA A 298 50.016 -3.079 -5.057 1.00 0.00 O ATOM 533 CB ALA A 298 49.647 -3.306 -2.217 1.00 0.00 C ATOM 0 H ALA A 298 47.315 -1.763 -2.761 1.00 0.00 H new ATOM 0 HA ALA A 298 50.235 -1.358 -2.876 1.00 0.00 H new ATOM 0 HB1 ALA A 298 50.531 -3.800 -2.619 1.00 0.00 H new ATOM 0 HB2 ALA A 298 49.812 -3.066 -1.167 1.00 0.00 H new ATOM 0 HB3 ALA A 298 48.788 -3.971 -2.307 1.00 0.00 H new ATOM 539 N GLU A 299 48.205 -1.744 -5.097 1.00 0.00 N ATOM 540 CA GLU A 299 47.946 -1.953 -6.517 1.00 0.00 C ATOM 541 C GLU A 299 47.733 -3.432 -6.820 1.00 0.00 C ATOM 542 O GLU A 299 48.669 -4.142 -7.189 1.00 0.00 O ATOM 543 CB GLU A 299 49.107 -1.411 -7.354 1.00 0.00 C ATOM 544 CG GLU A 299 48.920 0.034 -7.789 1.00 0.00 C ATOM 545 CD GLU A 299 49.638 0.350 -9.085 1.00 0.00 C ATOM 546 OE1 GLU A 299 50.235 -0.575 -9.675 1.00 0.00 O ATOM 547 OE2 GLU A 299 49.605 1.524 -9.512 1.00 0.00 O ATOM 0 H GLU A 299 47.543 -1.121 -4.635 1.00 0.00 H new ATOM 0 HA GLU A 299 47.036 -1.413 -6.778 1.00 0.00 H new ATOM 0 HB2 GLU A 299 50.029 -1.492 -6.778 1.00 0.00 H new ATOM 0 HB3 GLU A 299 49.229 -2.035 -8.239 1.00 0.00 H new ATOM 0 HG2 GLU A 299 47.856 0.239 -7.908 1.00 0.00 H new ATOM 0 HG3 GLU A 299 49.286 0.696 -7.004 1.00 0.00 H new ATOM 554 N PHE A 300 46.495 -3.891 -6.660 1.00 0.00 N ATOM 555 CA PHE A 300 46.157 -5.285 -6.917 1.00 0.00 C ATOM 556 C PHE A 300 47.012 -6.220 -6.067 1.00 0.00 C ATOM 557 O PHE A 300 48.214 -6.357 -6.294 1.00 0.00 O ATOM 558 CB PHE A 300 46.343 -5.614 -8.398 1.00 0.00 C ATOM 559 CG PHE A 300 45.573 -6.823 -8.846 1.00 0.00 C ATOM 560 CD1 PHE A 300 45.977 -8.096 -8.474 1.00 0.00 C ATOM 561 CD2 PHE A 300 44.444 -6.688 -9.638 1.00 0.00 C ATOM 562 CE1 PHE A 300 45.269 -9.210 -8.884 1.00 0.00 C ATOM 563 CE2 PHE A 300 43.733 -7.799 -10.052 1.00 0.00 C ATOM 564 CZ PHE A 300 44.145 -9.061 -9.673 1.00 0.00 C ATOM 0 H PHE A 300 45.710 -3.317 -6.353 1.00 0.00 H new ATOM 0 HA PHE A 300 45.111 -5.432 -6.648 1.00 0.00 H new ATOM 0 HB2 PHE A 300 46.034 -4.755 -8.994 1.00 0.00 H new ATOM 0 HB3 PHE A 300 47.403 -5.775 -8.596 1.00 0.00 H new ATOM 0 HD1 PHE A 300 46.855 -8.219 -7.857 1.00 0.00 H new ATOM 0 HD2 PHE A 300 44.116 -5.703 -9.935 1.00 0.00 H new ATOM 0 HE1 PHE A 300 45.594 -10.196 -8.588 1.00 0.00 H new ATOM 0 HE2 PHE A 300 42.856 -7.680 -10.671 1.00 0.00 H new ATOM 0 HZ PHE A 300 43.589 -9.930 -9.993 1.00 0.00 H new ATOM 574 N GLY A 301 46.383 -6.861 -5.087 1.00 0.00 N ATOM 575 CA GLY A 301 47.101 -7.774 -4.218 1.00 0.00 C ATOM 576 C GLY A 301 47.076 -7.336 -2.768 1.00 0.00 C ATOM 577 O GLY A 301 47.736 -6.365 -2.395 1.00 0.00 O ATOM 0 H GLY A 301 45.389 -6.764 -4.880 1.00 0.00 H new ATOM 0 HA2 GLY A 301 46.664 -8.769 -4.301 1.00 0.00 H new ATOM 0 HA3 GLY A 301 48.135 -7.851 -4.553 1.00 0.00 H new ATOM 581 N GLN A 302 46.314 -8.051 -1.948 1.00 0.00 N ATOM 582 CA GLN A 302 46.205 -7.730 -0.530 1.00 0.00 C ATOM 583 C GLN A 302 46.996 -8.723 0.314 1.00 0.00 C ATOM 584 O GLN A 302 48.124 -8.447 0.722 1.00 0.00 O ATOM 585 CB GLN A 302 44.738 -7.729 -0.095 1.00 0.00 C ATOM 586 CG GLN A 302 43.801 -8.367 -1.107 1.00 0.00 C ATOM 587 CD GLN A 302 42.344 -8.253 -0.705 1.00 0.00 C ATOM 588 OE1 GLN A 302 41.930 -7.265 -0.100 1.00 0.00 O ATOM 589 NE2 GLN A 302 41.557 -9.270 -1.039 1.00 0.00 N ATOM 0 H GLN A 302 45.762 -8.857 -2.241 1.00 0.00 H new ATOM 0 HA GLN A 302 46.622 -6.735 -0.376 1.00 0.00 H new ATOM 0 HB2 GLN A 302 44.649 -8.258 0.854 1.00 0.00 H new ATOM 0 HB3 GLN A 302 44.421 -6.701 0.083 1.00 0.00 H new ATOM 0 HG2 GLN A 302 43.944 -7.893 -2.078 1.00 0.00 H new ATOM 0 HG3 GLN A 302 44.061 -9.419 -1.224 1.00 0.00 H new ATOM 0 HE21 GLN A 302 41.943 -10.070 -1.541 1.00 0.00 H new ATOM 0 HE22 GLN A 302 40.567 -9.251 -0.794 1.00 0.00 H new ATOM 598 N ALA A 303 46.396 -9.881 0.574 1.00 0.00 N ATOM 599 CA ALA A 303 47.045 -10.915 1.371 1.00 0.00 C ATOM 600 C ALA A 303 47.346 -10.413 2.778 1.00 0.00 C ATOM 601 O ALA A 303 48.399 -10.709 3.343 1.00 0.00 O ATOM 602 CB ALA A 303 48.322 -11.382 0.688 1.00 0.00 C ATOM 0 H ALA A 303 45.462 -10.126 0.244 1.00 0.00 H new ATOM 0 HA ALA A 303 46.362 -11.760 1.454 1.00 0.00 H new ATOM 0 HB1 ALA A 303 48.797 -12.154 1.293 1.00 0.00 H new ATOM 0 HB2 ALA A 303 48.082 -11.788 -0.295 1.00 0.00 H new ATOM 0 HB3 ALA A 303 49.004 -10.539 0.575 1.00 0.00 H new ATOM 608 N GLU A 304 46.413 -9.650 3.340 1.00 0.00 N ATOM 609 CA GLU A 304 46.577 -9.104 4.682 1.00 0.00 C ATOM 610 C GLU A 304 47.932 -8.423 4.832 1.00 0.00 C ATOM 611 O GLU A 304 48.459 -8.303 5.938 1.00 0.00 O ATOM 612 CB GLU A 304 46.431 -10.211 5.728 1.00 0.00 C ATOM 613 CG GLU A 304 46.331 -9.691 7.153 1.00 0.00 C ATOM 614 CD GLU A 304 47.345 -10.330 8.080 1.00 0.00 C ATOM 615 OE1 GLU A 304 48.355 -10.866 7.576 1.00 0.00 O ATOM 616 OE2 GLU A 304 47.132 -10.294 9.310 1.00 0.00 O ATOM 0 H GLU A 304 45.536 -9.396 2.886 1.00 0.00 H new ATOM 0 HA GLU A 304 45.797 -8.359 4.840 1.00 0.00 H new ATOM 0 HB2 GLU A 304 45.542 -10.799 5.501 1.00 0.00 H new ATOM 0 HB3 GLU A 304 47.285 -10.884 5.655 1.00 0.00 H new ATOM 0 HG2 GLU A 304 46.475 -8.611 7.152 1.00 0.00 H new ATOM 0 HG3 GLU A 304 45.327 -9.878 7.534 1.00 0.00 H new ATOM 623 N SER A 305 48.492 -7.978 3.712 1.00 0.00 N ATOM 624 CA SER A 305 49.788 -7.309 3.718 1.00 0.00 C ATOM 625 C SER A 305 50.792 -8.078 4.571 1.00 0.00 C ATOM 626 O SER A 305 51.478 -7.500 5.413 1.00 0.00 O ATOM 627 CB SER A 305 49.646 -5.879 4.243 1.00 0.00 C ATOM 628 OG SER A 305 48.303 -5.595 4.596 1.00 0.00 O ATOM 0 H SER A 305 48.069 -8.069 2.788 1.00 0.00 H new ATOM 0 HA SER A 305 50.157 -7.277 2.693 1.00 0.00 H new ATOM 0 HB2 SER A 305 50.290 -5.742 5.112 1.00 0.00 H new ATOM 0 HB3 SER A 305 49.982 -5.174 3.482 1.00 0.00 H new ATOM 0 HG SER A 305 48.240 -4.676 4.930 1.00 0.00 H new ATOM 634 N ALA A 306 50.872 -9.386 4.346 1.00 0.00 N ATOM 635 CA ALA A 306 51.792 -10.236 5.094 1.00 0.00 C ATOM 636 C ALA A 306 51.823 -11.648 4.519 1.00 0.00 C ATOM 637 O ALA A 306 51.257 -11.909 3.457 1.00 0.00 O ATOM 638 CB ALA A 306 51.401 -10.270 6.563 1.00 0.00 C ATOM 0 H ALA A 306 50.311 -9.880 3.652 1.00 0.00 H new ATOM 0 HA ALA A 306 52.793 -9.814 5.006 1.00 0.00 H new ATOM 0 HB1 ALA A 306 52.096 -10.908 7.110 1.00 0.00 H new ATOM 0 HB2 ALA A 306 51.436 -9.260 6.972 1.00 0.00 H new ATOM 0 HB3 ALA A 306 50.390 -10.666 6.661 1.00 0.00 H new ATOM 644 N ASP A 307 52.488 -12.555 5.227 1.00 0.00 N ATOM 645 CA ASP A 307 52.591 -13.941 4.786 1.00 0.00 C ATOM 646 C ASP A 307 51.241 -14.459 4.302 1.00 0.00 C ATOM 647 O ASP A 307 50.211 -14.053 4.879 1.00 0.00 O ATOM 648 CB ASP A 307 53.112 -14.824 5.922 1.00 0.00 C ATOM 649 CG ASP A 307 54.138 -15.834 5.445 1.00 0.00 C ATOM 650 OD1 ASP A 307 54.932 -15.494 4.544 1.00 0.00 O ATOM 651 OD2 ASP A 307 54.145 -16.967 5.972 1.00 0.00 O ATOM 652 OXT ASP A 307 51.225 -15.267 3.350 1.00 0.00 O ATOM 0 H ASP A 307 52.963 -12.355 6.107 1.00 0.00 H new ATOM 0 HA ASP A 307 53.295 -13.980 3.954 1.00 0.00 H new ATOM 0 HB2 ASP A 307 53.557 -14.195 6.693 1.00 0.00 H new ATOM 0 HB3 ASP A 307 52.276 -15.350 6.383 1.00 0.00 H new TER 657 ASP A 307