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 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=-0.00671 X(o=-0.0067,f=-0.23) USER MOD Single : A 268 GLN : amide:sc= -0.0786 K(o=-0.079,f=-1.8!) USER MOD Single : A 273 THR OG1 : rot 180:sc= 0 USER MOD Single : A 279 SER OG : rot 101:sc= 0.0926! USER MOD Single : A 280 SER OG : rot -29:sc= 0.207! USER MOD Single : A 281 MET CE :methyl -173:sc= -0.0276 (180deg=-0.0533) USER MOD Single : A 282 THR OG1 : rot -67:sc= 0.892 USER MOD Single : A 286 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 289 TYR OH : rot -165:sc= -9.53! USER MOD Single : A 291 MET CE :methyl -118:sc= -10.8! (180deg=-12!) USER MOD Single : A 292 GLN : amide:sc= -3.44! C(o=-3.4!,f=-4.9!) 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= -0.271 X(o=-0.27,f=-0.015) USER MOD Single : A 302 GLN : amide:sc= -0.132 K(o=-0.13,f=-1.6!) USER MOD Single : A 305 SER OG : rot 180:sc= -1.02! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 263 44.255 18.273 19.155 1.00 0.00 N ATOM 2 CA MET A 263 42.969 17.996 19.846 1.00 0.00 C ATOM 3 C MET A 263 43.045 16.707 20.659 1.00 0.00 C ATOM 4 O MET A 263 44.124 16.290 21.080 1.00 0.00 O ATOM 5 CB MET A 263 41.862 17.893 18.795 1.00 0.00 C ATOM 6 CG MET A 263 41.898 16.600 17.997 1.00 0.00 C ATOM 7 SD MET A 263 40.932 16.694 16.478 1.00 0.00 S ATOM 8 CE MET A 263 42.147 17.364 15.345 1.00 0.00 C ATOM 0 HA MET A 263 42.754 18.809 20.540 1.00 0.00 H new ATOM 0 HB2 MET A 263 40.894 17.978 19.289 1.00 0.00 H new ATOM 0 HB3 MET A 263 41.945 18.736 18.109 1.00 0.00 H new ATOM 0 HG2 MET A 263 42.932 16.358 17.751 1.00 0.00 H new ATOM 0 HG3 MET A 263 41.518 15.786 18.614 1.00 0.00 H new ATOM 0 HE1 MET A 263 41.699 17.481 14.358 1.00 0.00 H new ATOM 0 HE2 MET A 263 42.486 18.335 15.707 1.00 0.00 H new ATOM 0 HE3 MET A 263 42.997 16.685 15.279 1.00 0.00 H new ATOM 20 N THR A 264 41.892 16.083 20.880 1.00 0.00 N ATOM 21 CA THR A 264 41.830 14.843 21.645 1.00 0.00 C ATOM 22 C THR A 264 41.533 13.653 20.736 1.00 0.00 C ATOM 23 O THR A 264 40.624 12.868 21.002 1.00 0.00 O ATOM 24 CB THR A 264 40.760 14.946 22.734 1.00 0.00 C ATOM 25 OG1 THR A 264 40.398 16.297 22.954 1.00 0.00 O ATOM 26 CG2 THR A 264 41.200 14.366 24.062 1.00 0.00 C ATOM 0 H THR A 264 40.989 16.415 20.541 1.00 0.00 H new ATOM 0 HA THR A 264 42.802 14.685 22.111 1.00 0.00 H new ATOM 0 HB THR A 264 39.914 14.366 22.365 1.00 0.00 H new ATOM 0 HG1 THR A 264 39.712 16.342 23.652 1.00 0.00 H new ATOM 0 HG21 THR A 264 40.395 14.471 24.790 1.00 0.00 H new ATOM 0 HG22 THR A 264 41.440 13.310 23.936 1.00 0.00 H new ATOM 0 HG23 THR A 264 42.082 14.899 24.417 1.00 0.00 H new ATOM 34 N ILE A 265 42.309 13.527 19.665 1.00 0.00 N ATOM 35 CA ILE A 265 42.134 12.433 18.718 1.00 0.00 C ATOM 36 C ILE A 265 40.723 12.422 18.140 1.00 0.00 C ATOM 37 O ILE A 265 40.472 12.994 17.079 1.00 0.00 O ATOM 38 CB ILE A 265 42.415 11.069 19.374 1.00 0.00 C ATOM 39 CG1 ILE A 265 43.891 10.956 19.761 1.00 0.00 C ATOM 40 CG2 ILE A 265 42.020 9.937 18.437 1.00 0.00 C ATOM 41 CD1 ILE A 265 44.168 9.873 20.780 1.00 0.00 C ATOM 0 H ILE A 265 43.066 14.170 19.431 1.00 0.00 H new ATOM 0 HA ILE A 265 42.852 12.597 17.915 1.00 0.00 H new ATOM 0 HB ILE A 265 41.815 10.991 20.280 1.00 0.00 H new ATOM 0 HG12 ILE A 265 44.479 10.759 18.865 1.00 0.00 H new ATOM 0 HG13 ILE A 265 44.228 11.913 20.159 1.00 0.00 H new ATOM 0 HG21 ILE A 265 42.225 8.980 18.916 1.00 0.00 H new ATOM 0 HG22 ILE A 265 40.957 10.008 18.209 1.00 0.00 H new ATOM 0 HG23 ILE A 265 42.595 10.011 17.514 1.00 0.00 H new ATOM 0 HD11 ILE A 265 45.234 9.851 21.007 1.00 0.00 H new ATOM 0 HD12 ILE A 265 43.607 10.079 21.692 1.00 0.00 H new ATOM 0 HD13 ILE A 265 43.862 8.907 20.377 1.00 0.00 H new ATOM 53 N SER A 266 39.807 11.766 18.843 1.00 0.00 N ATOM 54 CA SER A 266 38.421 11.679 18.398 1.00 0.00 C ATOM 55 C SER A 266 37.459 11.978 19.543 1.00 0.00 C ATOM 56 O SER A 266 37.746 11.680 20.702 1.00 0.00 O ATOM 57 CB SER A 266 38.134 10.288 17.826 1.00 0.00 C ATOM 58 OG SER A 266 37.656 9.412 18.833 1.00 0.00 O ATOM 0 H SER A 266 39.999 11.287 19.723 1.00 0.00 H new ATOM 0 HA SER A 266 38.270 12.425 17.618 1.00 0.00 H new ATOM 0 HB2 SER A 266 37.397 10.365 17.026 1.00 0.00 H new ATOM 0 HB3 SER A 266 39.042 9.878 17.384 1.00 0.00 H new ATOM 0 HG SER A 266 37.478 8.531 18.443 1.00 0.00 H new ATOM 64 N GLN A 267 36.317 12.570 19.208 1.00 0.00 N ATOM 65 CA GLN A 267 35.310 12.909 20.207 1.00 0.00 C ATOM 66 C GLN A 267 33.934 12.413 19.778 1.00 0.00 C ATOM 67 O GLN A 267 33.171 11.890 20.588 1.00 0.00 O ATOM 68 CB GLN A 267 35.272 14.422 20.431 1.00 0.00 C ATOM 69 CG GLN A 267 34.172 14.869 21.379 1.00 0.00 C ATOM 70 CD GLN A 267 34.669 15.836 22.435 1.00 0.00 C ATOM 71 OE1 GLN A 267 35.479 16.720 22.152 1.00 0.00 O ATOM 72 NE2 GLN A 267 34.188 15.673 23.661 1.00 0.00 N ATOM 0 H GLN A 267 36.066 12.825 18.253 1.00 0.00 H new ATOM 0 HA GLN A 267 35.580 12.418 21.142 1.00 0.00 H new ATOM 0 HB2 GLN A 267 36.235 14.747 20.826 1.00 0.00 H new ATOM 0 HB3 GLN A 267 35.137 14.920 19.471 1.00 0.00 H new ATOM 0 HG2 GLN A 267 33.374 15.341 20.806 1.00 0.00 H new ATOM 0 HG3 GLN A 267 33.740 13.995 21.867 1.00 0.00 H new ATOM 0 HE21 GLN A 267 33.518 14.927 23.851 1.00 0.00 H new ATOM 0 HE22 GLN A 267 34.488 16.293 24.413 1.00 0.00 H new ATOM 81 N GLN A 268 33.625 12.580 18.495 1.00 0.00 N ATOM 82 CA GLN A 268 32.341 12.149 17.954 1.00 0.00 C ATOM 83 C GLN A 268 31.201 12.977 18.535 1.00 0.00 C ATOM 84 O GLN A 268 31.286 13.466 19.663 1.00 0.00 O ATOM 85 CB GLN A 268 32.113 10.666 18.247 1.00 0.00 C ATOM 86 CG GLN A 268 30.963 10.060 17.458 1.00 0.00 C ATOM 87 CD GLN A 268 31.029 8.546 17.400 1.00 0.00 C ATOM 88 OE1 GLN A 268 32.087 7.951 17.607 1.00 0.00 O ATOM 89 NE2 GLN A 268 29.896 7.916 17.116 1.00 0.00 N ATOM 0 H GLN A 268 34.247 13.011 17.811 1.00 0.00 H new ATOM 0 HA GLN A 268 32.360 12.299 16.875 1.00 0.00 H new ATOM 0 HB2 GLN A 268 33.027 10.115 18.023 1.00 0.00 H new ATOM 0 HB3 GLN A 268 31.918 10.540 19.312 1.00 0.00 H new ATOM 0 HG2 GLN A 268 30.018 10.362 17.910 1.00 0.00 H new ATOM 0 HG3 GLN A 268 30.973 10.459 16.444 1.00 0.00 H new ATOM 0 HE21 GLN A 268 29.043 8.450 16.952 1.00 0.00 H new ATOM 0 HE22 GLN A 268 29.878 6.898 17.062 1.00 0.00 H new ATOM 98 N GLU A 269 30.133 13.129 17.760 1.00 0.00 N ATOM 99 CA GLU A 269 28.973 13.898 18.198 1.00 0.00 C ATOM 100 C GLU A 269 27.707 13.419 17.495 1.00 0.00 C ATOM 101 O GLU A 269 26.774 14.193 17.280 1.00 0.00 O ATOM 102 CB GLU A 269 29.189 15.387 17.927 1.00 0.00 C ATOM 103 CG GLU A 269 30.009 15.668 16.679 1.00 0.00 C ATOM 104 CD GLU A 269 31.484 15.852 16.979 1.00 0.00 C ATOM 105 OE1 GLU A 269 31.816 16.728 17.805 1.00 0.00 O ATOM 106 OE2 GLU A 269 32.306 15.121 16.388 1.00 0.00 O ATOM 0 H GLU A 269 30.046 12.730 16.825 1.00 0.00 H new ATOM 0 HA GLU A 269 28.851 13.746 19.271 1.00 0.00 H new ATOM 0 HB2 GLU A 269 28.219 15.874 17.831 1.00 0.00 H new ATOM 0 HB3 GLU A 269 29.687 15.835 18.787 1.00 0.00 H new ATOM 0 HG2 GLU A 269 29.885 14.845 15.975 1.00 0.00 H new ATOM 0 HG3 GLU A 269 29.627 16.565 16.192 1.00 0.00 H new ATOM 113 N PHE A 270 27.682 12.138 17.139 1.00 0.00 N ATOM 114 CA PHE A 270 26.531 11.553 16.461 1.00 0.00 C ATOM 115 C PHE A 270 26.616 11.770 14.954 1.00 0.00 C ATOM 116 O PHE A 270 25.850 11.184 14.188 1.00 0.00 O ATOM 117 CB PHE A 270 25.232 12.156 17.000 1.00 0.00 C ATOM 118 CG PHE A 270 24.162 11.137 17.268 1.00 0.00 C ATOM 119 CD1 PHE A 270 24.112 9.958 16.541 1.00 0.00 C ATOM 120 CD2 PHE A 270 23.206 11.358 18.247 1.00 0.00 C ATOM 121 CE1 PHE A 270 23.128 9.018 16.786 1.00 0.00 C ATOM 122 CE2 PHE A 270 22.220 10.421 18.496 1.00 0.00 C ATOM 123 CZ PHE A 270 22.182 9.250 17.764 1.00 0.00 C ATOM 0 H PHE A 270 28.447 11.485 17.309 1.00 0.00 H new ATOM 0 HA PHE A 270 26.535 10.481 16.657 1.00 0.00 H new ATOM 0 HB2 PHE A 270 25.447 12.696 17.922 1.00 0.00 H new ATOM 0 HB3 PHE A 270 24.855 12.886 16.284 1.00 0.00 H new ATOM 0 HD1 PHE A 270 24.850 9.771 15.775 1.00 0.00 H new ATOM 0 HD2 PHE A 270 23.231 12.272 18.822 1.00 0.00 H new ATOM 0 HE1 PHE A 270 23.100 8.103 16.213 1.00 0.00 H new ATOM 0 HE2 PHE A 270 21.481 10.604 19.262 1.00 0.00 H new ATOM 0 HZ PHE A 270 21.413 8.517 17.957 1.00 0.00 H new ATOM 133 N GLY A 271 27.552 12.615 14.535 1.00 0.00 N ATOM 134 CA GLY A 271 27.719 12.892 13.122 1.00 0.00 C ATOM 135 C GLY A 271 28.857 12.102 12.504 1.00 0.00 C ATOM 136 O GLY A 271 29.240 12.345 11.362 1.00 0.00 O ATOM 0 H GLY A 271 28.197 13.112 15.149 1.00 0.00 H new ATOM 0 HA2 GLY A 271 26.792 12.658 12.598 1.00 0.00 H new ATOM 0 HA3 GLY A 271 27.904 13.957 12.984 1.00 0.00 H new ATOM 140 N ARG A 272 29.395 11.154 13.264 1.00 0.00 N ATOM 141 CA ARG A 272 30.495 10.320 12.792 1.00 0.00 C ATOM 142 C ARG A 272 31.432 11.103 11.877 1.00 0.00 C ATOM 143 O ARG A 272 32.039 10.537 10.970 1.00 0.00 O ATOM 144 CB ARG A 272 29.948 9.099 12.053 1.00 0.00 C ATOM 145 CG ARG A 272 29.238 8.105 12.958 1.00 0.00 C ATOM 146 CD ARG A 272 27.811 8.537 13.251 1.00 0.00 C ATOM 147 NE ARG A 272 26.836 7.548 12.802 1.00 0.00 N ATOM 148 CZ ARG A 272 26.770 6.310 13.283 1.00 0.00 C ATOM 149 NH1 ARG A 272 27.619 5.915 14.220 1.00 0.00 N ATOM 150 NH2 ARG A 272 25.856 5.466 12.825 1.00 0.00 N ATOM 0 H ARG A 272 29.086 10.943 14.213 1.00 0.00 H new ATOM 0 HA ARG A 272 31.065 9.993 13.662 1.00 0.00 H new ATOM 0 HB2 ARG A 272 29.255 9.433 11.281 1.00 0.00 H new ATOM 0 HB3 ARG A 272 30.770 8.593 11.547 1.00 0.00 H new ATOM 0 HG2 ARG A 272 29.232 7.122 12.486 1.00 0.00 H new ATOM 0 HG3 ARG A 272 29.788 8.006 13.894 1.00 0.00 H new ATOM 0 HD2 ARG A 272 27.695 8.700 14.322 1.00 0.00 H new ATOM 0 HD3 ARG A 272 27.613 9.490 12.760 1.00 0.00 H new ATOM 0 HE ARG A 272 26.169 7.821 12.080 1.00 0.00 H new ATOM 0 HH11 ARG A 272 28.325 6.561 14.574 1.00 0.00 H new ATOM 0 HH12 ARG A 272 27.567 4.965 14.588 1.00 0.00 H new ATOM 0 HH21 ARG A 272 25.202 5.766 12.102 1.00 0.00 H new ATOM 0 HH22 ARG A 272 25.807 4.517 13.195 1.00 0.00 H new ATOM 164 N THR A 273 31.549 12.405 12.124 1.00 0.00 N ATOM 165 CA THR A 273 32.417 13.265 11.324 1.00 0.00 C ATOM 166 C THR A 273 31.706 13.728 10.051 1.00 0.00 C ATOM 167 O THR A 273 31.524 14.926 9.833 1.00 0.00 O ATOM 168 CB THR A 273 33.730 12.534 10.995 1.00 0.00 C ATOM 169 OG1 THR A 273 34.843 13.364 11.275 1.00 0.00 O ATOM 170 CG2 THR A 273 33.855 12.081 9.552 1.00 0.00 C ATOM 0 H THR A 273 31.053 12.888 12.873 1.00 0.00 H new ATOM 0 HA THR A 273 32.657 14.155 11.906 1.00 0.00 H new ATOM 0 HB THR A 273 33.713 11.644 11.624 1.00 0.00 H new ATOM 0 HG1 THR A 273 35.671 12.884 11.062 1.00 0.00 H new ATOM 0 HG21 THR A 273 34.810 11.576 9.411 1.00 0.00 H new ATOM 0 HG22 THR A 273 33.043 11.394 9.315 1.00 0.00 H new ATOM 0 HG23 THR A 273 33.802 12.947 8.893 1.00 0.00 H new ATOM 178 N GLY A 274 31.305 12.774 9.217 1.00 0.00 N ATOM 179 CA GLY A 274 30.619 13.105 7.982 1.00 0.00 C ATOM 180 C GLY A 274 29.203 12.566 7.951 1.00 0.00 C ATOM 181 O GLY A 274 28.398 12.956 7.107 1.00 0.00 O ATOM 0 H GLY A 274 31.443 11.776 9.375 1.00 0.00 H new ATOM 0 HA2 GLY A 274 30.596 14.188 7.860 1.00 0.00 H new ATOM 0 HA3 GLY A 274 31.178 12.701 7.138 1.00 0.00 H new ATOM 185 N LEU A 275 28.901 11.669 8.884 1.00 0.00 N ATOM 186 CA LEU A 275 27.574 11.073 8.976 1.00 0.00 C ATOM 187 C LEU A 275 27.262 10.213 7.753 1.00 0.00 C ATOM 188 O LEU A 275 26.309 10.483 7.021 1.00 0.00 O ATOM 189 CB LEU A 275 26.517 12.170 9.126 1.00 0.00 C ATOM 190 CG LEU A 275 25.138 11.688 9.577 1.00 0.00 C ATOM 191 CD1 LEU A 275 24.469 12.735 10.454 1.00 0.00 C ATOM 192 CD2 LEU A 275 24.269 11.363 8.371 1.00 0.00 C ATOM 0 H LEU A 275 29.560 11.338 9.589 1.00 0.00 H new ATOM 0 HA LEU A 275 27.556 10.428 9.854 1.00 0.00 H new ATOM 0 HB2 LEU A 275 26.880 12.906 9.844 1.00 0.00 H new ATOM 0 HB3 LEU A 275 26.410 12.683 8.170 1.00 0.00 H new ATOM 0 HG LEU A 275 25.263 10.779 10.165 1.00 0.00 H new ATOM 0 HD11 LEU A 275 23.488 12.376 10.766 1.00 0.00 H new ATOM 0 HD12 LEU A 275 25.085 12.920 11.334 1.00 0.00 H new ATOM 0 HD13 LEU A 275 24.354 13.661 9.891 1.00 0.00 H new ATOM 0 HD21 LEU A 275 23.291 11.021 8.709 1.00 0.00 H new ATOM 0 HD22 LEU A 275 24.149 12.256 7.757 1.00 0.00 H new ATOM 0 HD23 LEU A 275 24.744 10.579 7.781 1.00 0.00 H new ATOM 204 N PRO A 276 28.063 9.160 7.516 1.00 0.00 N ATOM 205 CA PRO A 276 27.875 8.255 6.383 1.00 0.00 C ATOM 206 C PRO A 276 26.748 7.258 6.625 1.00 0.00 C ATOM 207 O PRO A 276 25.786 7.193 5.860 1.00 0.00 O ATOM 208 CB PRO A 276 29.218 7.513 6.272 1.00 0.00 C ATOM 209 CG PRO A 276 30.112 8.112 7.313 1.00 0.00 C ATOM 210 CD PRO A 276 29.214 8.761 8.326 1.00 0.00 C ATOM 0 HA PRO A 276 27.600 8.798 5.479 1.00 0.00 H new ATOM 0 HB2 PRO A 276 29.087 6.444 6.439 1.00 0.00 H new ATOM 0 HB3 PRO A 276 29.646 7.630 5.277 1.00 0.00 H new ATOM 0 HG2 PRO A 276 30.732 7.346 7.779 1.00 0.00 H new ATOM 0 HG3 PRO A 276 30.788 8.843 6.869 1.00 0.00 H new ATOM 0 HD2 PRO A 276 28.932 8.070 9.120 1.00 0.00 H new ATOM 0 HD3 PRO A 276 29.691 9.617 8.803 1.00 0.00 H new ATOM 218 N ASP A 277 26.885 6.492 7.700 1.00 0.00 N ATOM 219 CA ASP A 277 25.897 5.489 8.075 1.00 0.00 C ATOM 220 C ASP A 277 25.183 4.927 6.851 1.00 0.00 C ATOM 221 O ASP A 277 24.101 5.386 6.485 1.00 0.00 O ATOM 222 CB ASP A 277 24.881 6.085 9.047 1.00 0.00 C ATOM 223 CG ASP A 277 24.853 7.600 9.007 1.00 0.00 C ATOM 224 OD1 ASP A 277 24.498 8.160 7.948 1.00 0.00 O ATOM 225 OD2 ASP A 277 25.187 8.227 10.034 1.00 0.00 O ATOM 0 H ASP A 277 27.682 6.548 8.335 1.00 0.00 H new ATOM 0 HA ASP A 277 26.423 4.669 8.564 1.00 0.00 H new ATOM 0 HB2 ASP A 277 23.889 5.701 8.810 1.00 0.00 H new ATOM 0 HB3 ASP A 277 25.117 5.757 10.059 1.00 0.00 H new ATOM 230 N LEU A 278 25.797 3.930 6.225 1.00 0.00 N ATOM 231 CA LEU A 278 25.224 3.302 5.042 1.00 0.00 C ATOM 232 C LEU A 278 23.794 2.844 5.307 1.00 0.00 C ATOM 233 O LEU A 278 23.018 2.627 4.375 1.00 0.00 O ATOM 234 CB LEU A 278 26.083 2.115 4.610 1.00 0.00 C ATOM 235 CG LEU A 278 27.430 2.480 3.993 1.00 0.00 C ATOM 236 CD1 LEU A 278 27.840 1.425 2.987 1.00 0.00 C ATOM 237 CD2 LEU A 278 27.373 3.851 3.337 1.00 0.00 C ATOM 0 H LEU A 278 26.693 3.539 6.518 1.00 0.00 H new ATOM 0 HA LEU A 278 25.204 4.040 4.240 1.00 0.00 H new ATOM 0 HB2 LEU A 278 26.259 1.479 5.478 1.00 0.00 H new ATOM 0 HB3 LEU A 278 25.520 1.522 3.889 1.00 0.00 H new ATOM 0 HG LEU A 278 28.176 2.520 4.787 1.00 0.00 H new ATOM 0 HD11 LEU A 278 28.802 1.693 2.551 1.00 0.00 H new ATOM 0 HD12 LEU A 278 27.924 0.459 3.486 1.00 0.00 H new ATOM 0 HD13 LEU A 278 27.089 1.362 2.199 1.00 0.00 H new ATOM 0 HD21 LEU A 278 28.345 4.088 2.905 1.00 0.00 H new ATOM 0 HD22 LEU A 278 26.618 3.847 2.551 1.00 0.00 H new ATOM 0 HD23 LEU A 278 27.115 4.602 4.084 1.00 0.00 H new ATOM 249 N SER A 279 23.467 2.693 6.586 1.00 0.00 N ATOM 250 CA SER A 279 22.137 2.251 7.014 1.00 0.00 C ATOM 251 C SER A 279 22.125 0.742 7.216 1.00 0.00 C ATOM 252 O SER A 279 21.289 0.039 6.649 1.00 0.00 O ATOM 253 CB SER A 279 21.070 2.655 5.993 1.00 0.00 C ATOM 254 OG SER A 279 21.340 3.936 5.451 1.00 0.00 O ATOM 0 H SER A 279 24.112 2.872 7.356 1.00 0.00 H new ATOM 0 HA SER A 279 21.905 2.739 7.961 1.00 0.00 H new ATOM 0 HB2 SER A 279 21.033 1.918 5.191 1.00 0.00 H new ATOM 0 HB3 SER A 279 20.089 2.658 6.469 1.00 0.00 H new ATOM 0 HG SER A 279 21.745 3.837 4.564 1.00 0.00 H new ATOM 260 N SER A 280 23.080 0.273 8.019 1.00 0.00 N ATOM 261 CA SER A 280 23.258 -1.149 8.325 1.00 0.00 C ATOM 262 C SER A 280 24.735 -1.508 8.212 1.00 0.00 C ATOM 263 O SER A 280 25.158 -2.593 8.610 1.00 0.00 O ATOM 264 CB SER A 280 22.439 -2.040 7.387 1.00 0.00 C ATOM 265 OG SER A 280 22.733 -3.410 7.598 1.00 0.00 O ATOM 0 H SER A 280 23.761 0.876 8.481 1.00 0.00 H new ATOM 0 HA SER A 280 22.903 -1.323 9.341 1.00 0.00 H new ATOM 0 HB2 SER A 280 21.376 -1.864 7.550 1.00 0.00 H new ATOM 0 HB3 SER A 280 22.651 -1.775 6.351 1.00 0.00 H new ATOM 0 HG SER A 280 23.655 -3.501 7.917 1.00 0.00 H new ATOM 271 N MET A 281 25.505 -0.573 7.655 1.00 0.00 N ATOM 272 CA MET A 281 26.940 -0.739 7.463 1.00 0.00 C ATOM 273 C MET A 281 27.544 -1.716 8.471 1.00 0.00 C ATOM 274 O MET A 281 27.759 -2.892 8.172 1.00 0.00 O ATOM 275 CB MET A 281 27.643 0.622 7.576 1.00 0.00 C ATOM 276 CG MET A 281 26.729 1.766 8.001 1.00 0.00 C ATOM 277 SD MET A 281 25.909 1.473 9.581 1.00 0.00 S ATOM 278 CE MET A 281 27.078 2.220 10.713 1.00 0.00 C ATOM 0 H MET A 281 25.147 0.323 7.324 1.00 0.00 H new ATOM 0 HA MET A 281 27.092 -1.154 6.467 1.00 0.00 H new ATOM 0 HB2 MET A 281 28.459 0.538 8.294 1.00 0.00 H new ATOM 0 HB3 MET A 281 28.090 0.868 6.613 1.00 0.00 H new ATOM 0 HG2 MET A 281 27.313 2.684 8.067 1.00 0.00 H new ATOM 0 HG3 MET A 281 25.974 1.924 7.231 1.00 0.00 H new ATOM 0 HE1 MET A 281 26.775 2.011 11.739 1.00 0.00 H new ATOM 0 HE2 MET A 281 28.071 1.806 10.537 1.00 0.00 H new ATOM 0 HE3 MET A 281 27.101 3.298 10.553 1.00 0.00 H new ATOM 288 N THR A 282 27.833 -1.207 9.656 1.00 0.00 N ATOM 289 CA THR A 282 28.417 -2.006 10.721 1.00 0.00 C ATOM 290 C THR A 282 29.825 -2.460 10.367 1.00 0.00 C ATOM 291 O THR A 282 30.485 -1.883 9.502 1.00 0.00 O ATOM 292 CB THR A 282 27.537 -3.221 11.014 1.00 0.00 C ATOM 293 OG1 THR A 282 27.774 -4.251 10.071 1.00 0.00 O ATOM 294 CG2 THR A 282 26.057 -2.908 10.990 1.00 0.00 C ATOM 0 H THR A 282 27.670 -0.232 9.907 1.00 0.00 H new ATOM 0 HA THR A 282 28.477 -1.380 11.611 1.00 0.00 H new ATOM 0 HB THR A 282 27.808 -3.538 12.021 1.00 0.00 H new ATOM 0 HG1 THR A 282 27.464 -3.963 9.187 1.00 0.00 H new ATOM 0 HG21 THR A 282 25.490 -3.814 11.206 1.00 0.00 H new ATOM 0 HG22 THR A 282 25.833 -2.152 11.742 1.00 0.00 H new ATOM 0 HG23 THR A 282 25.780 -2.533 10.005 1.00 0.00 H new ATOM 302 N GLU A 283 30.272 -3.498 11.054 1.00 0.00 N ATOM 303 CA GLU A 283 31.602 -4.053 10.837 1.00 0.00 C ATOM 304 C GLU A 283 31.770 -4.527 9.401 1.00 0.00 C ATOM 305 O GLU A 283 32.881 -4.557 8.879 1.00 0.00 O ATOM 306 CB GLU A 283 31.854 -5.213 11.800 1.00 0.00 C ATOM 307 CG GLU A 283 33.096 -5.032 12.657 1.00 0.00 C ATOM 308 CD GLU A 283 32.775 -4.943 14.136 1.00 0.00 C ATOM 309 OE1 GLU A 283 31.968 -5.765 14.620 1.00 0.00 O ATOM 310 OE2 GLU A 283 33.330 -4.051 14.811 1.00 0.00 O ATOM 0 H GLU A 283 29.730 -3.978 11.773 1.00 0.00 H new ATOM 0 HA GLU A 283 32.331 -3.265 11.026 1.00 0.00 H new ATOM 0 HB2 GLU A 283 30.987 -5.329 12.451 1.00 0.00 H new ATOM 0 HB3 GLU A 283 31.949 -6.136 11.228 1.00 0.00 H new ATOM 0 HG2 GLU A 283 33.776 -5.867 12.486 1.00 0.00 H new ATOM 0 HG3 GLU A 283 33.618 -4.127 12.347 1.00 0.00 H new ATOM 317 N GLU A 284 30.667 -4.902 8.767 1.00 0.00 N ATOM 318 CA GLU A 284 30.711 -5.379 7.390 1.00 0.00 C ATOM 319 C GLU A 284 30.988 -4.236 6.426 1.00 0.00 C ATOM 320 O GLU A 284 31.606 -4.437 5.383 1.00 0.00 O ATOM 321 CB GLU A 284 29.401 -6.072 7.019 1.00 0.00 C ATOM 322 CG GLU A 284 28.747 -6.786 8.186 1.00 0.00 C ATOM 323 CD GLU A 284 28.441 -8.240 7.883 1.00 0.00 C ATOM 324 OE1 GLU A 284 27.995 -8.529 6.753 1.00 0.00 O ATOM 325 OE2 GLU A 284 28.650 -9.089 8.774 1.00 0.00 O ATOM 0 H GLU A 284 29.735 -4.886 9.181 1.00 0.00 H new ATOM 0 HA GLU A 284 31.525 -6.100 7.312 1.00 0.00 H new ATOM 0 HB2 GLU A 284 28.707 -5.332 6.620 1.00 0.00 H new ATOM 0 HB3 GLU A 284 29.592 -6.792 6.223 1.00 0.00 H new ATOM 0 HG2 GLU A 284 29.403 -6.730 9.055 1.00 0.00 H new ATOM 0 HG3 GLU A 284 27.823 -6.272 8.450 1.00 0.00 H new ATOM 332 N GLU A 285 30.542 -3.036 6.773 1.00 0.00 N ATOM 333 CA GLU A 285 30.778 -1.883 5.915 1.00 0.00 C ATOM 334 C GLU A 285 32.140 -1.269 6.201 1.00 0.00 C ATOM 335 O GLU A 285 32.723 -0.608 5.346 1.00 0.00 O ATOM 336 CB GLU A 285 29.690 -0.835 6.075 1.00 0.00 C ATOM 337 CG GLU A 285 28.735 -0.779 4.891 1.00 0.00 C ATOM 338 CD GLU A 285 29.450 -0.851 3.556 1.00 0.00 C ATOM 339 OE1 GLU A 285 30.684 -0.664 3.531 1.00 0.00 O ATOM 340 OE2 GLU A 285 28.775 -1.097 2.534 1.00 0.00 O ATOM 0 H GLU A 285 30.023 -2.837 7.628 1.00 0.00 H new ATOM 0 HA GLU A 285 30.758 -2.236 4.884 1.00 0.00 H new ATOM 0 HB2 GLU A 285 29.123 -1.045 6.982 1.00 0.00 H new ATOM 0 HB3 GLU A 285 30.153 0.143 6.207 1.00 0.00 H new ATOM 0 HG2 GLU A 285 28.025 -1.603 4.963 1.00 0.00 H new ATOM 0 HG3 GLU A 285 28.157 0.144 4.939 1.00 0.00 H new ATOM 347 N GLN A 286 32.651 -1.506 7.403 1.00 0.00 N ATOM 348 CA GLN A 286 33.959 -0.993 7.786 1.00 0.00 C ATOM 349 C GLN A 286 35.037 -1.945 7.287 1.00 0.00 C ATOM 350 O GLN A 286 36.171 -1.545 7.012 1.00 0.00 O ATOM 351 CB GLN A 286 34.050 -0.837 9.305 1.00 0.00 C ATOM 352 CG GLN A 286 33.939 0.604 9.775 1.00 0.00 C ATOM 353 CD GLN A 286 32.591 0.911 10.398 1.00 0.00 C ATOM 354 OE1 GLN A 286 32.360 0.631 11.574 1.00 0.00 O ATOM 355 NE2 GLN A 286 31.692 1.487 9.608 1.00 0.00 N ATOM 0 H GLN A 286 32.180 -2.049 8.127 1.00 0.00 H new ATOM 0 HA GLN A 286 34.105 -0.011 7.335 1.00 0.00 H new ATOM 0 HB2 GLN A 286 33.259 -1.424 9.770 1.00 0.00 H new ATOM 0 HB3 GLN A 286 34.998 -1.251 9.648 1.00 0.00 H new ATOM 0 HG2 GLN A 286 34.726 0.807 10.502 1.00 0.00 H new ATOM 0 HG3 GLN A 286 34.105 1.272 8.930 1.00 0.00 H new ATOM 0 HE21 GLN A 286 31.927 1.701 8.639 1.00 0.00 H new ATOM 0 HE22 GLN A 286 30.766 1.715 9.970 1.00 0.00 H new ATOM 364 N ILE A 287 34.650 -3.206 7.144 1.00 0.00 N ATOM 365 CA ILE A 287 35.541 -4.239 6.653 1.00 0.00 C ATOM 366 C ILE A 287 35.535 -4.213 5.139 1.00 0.00 C ATOM 367 O ILE A 287 36.570 -4.369 4.489 1.00 0.00 O ATOM 368 CB ILE A 287 35.105 -5.625 7.151 1.00 0.00 C ATOM 369 CG1 ILE A 287 33.706 -5.953 6.654 1.00 0.00 C ATOM 370 CG2 ILE A 287 35.156 -5.679 8.667 1.00 0.00 C ATOM 371 CD1 ILE A 287 33.670 -6.465 5.232 1.00 0.00 C ATOM 0 H ILE A 287 33.711 -3.537 7.366 1.00 0.00 H new ATOM 0 HA ILE A 287 36.546 -4.047 7.028 1.00 0.00 H new ATOM 0 HB ILE A 287 35.794 -6.370 6.753 1.00 0.00 H new ATOM 0 HG12 ILE A 287 33.263 -6.701 7.311 1.00 0.00 H new ATOM 0 HG13 ILE A 287 33.086 -5.059 6.725 1.00 0.00 H new ATOM 0 HG21 ILE A 287 34.845 -6.667 9.007 1.00 0.00 H new ATOM 0 HG22 ILE A 287 36.174 -5.484 9.004 1.00 0.00 H new ATOM 0 HG23 ILE A 287 34.486 -4.925 9.081 1.00 0.00 H new ATOM 0 HD11 ILE A 287 32.639 -6.677 4.948 1.00 0.00 H new ATOM 0 HD12 ILE A 287 34.083 -5.710 4.563 1.00 0.00 H new ATOM 0 HD13 ILE A 287 34.262 -7.377 5.159 1.00 0.00 H new ATOM 383 N ALA A 288 34.354 -3.967 4.590 1.00 0.00 N ATOM 384 CA ALA A 288 34.186 -3.862 3.157 1.00 0.00 C ATOM 385 C ALA A 288 34.873 -2.591 2.687 1.00 0.00 C ATOM 386 O ALA A 288 35.564 -2.569 1.667 1.00 0.00 O ATOM 387 CB ALA A 288 32.706 -3.852 2.800 1.00 0.00 C ATOM 0 H ALA A 288 33.495 -3.836 5.124 1.00 0.00 H new ATOM 0 HA ALA A 288 34.636 -4.721 2.659 1.00 0.00 H new ATOM 0 HB1 ALA A 288 32.593 -3.773 1.719 1.00 0.00 H new ATOM 0 HB2 ALA A 288 32.242 -4.775 3.146 1.00 0.00 H new ATOM 0 HB3 ALA A 288 32.222 -3.001 3.279 1.00 0.00 H new ATOM 393 N TYR A 289 34.713 -1.535 3.477 1.00 0.00 N ATOM 394 CA TYR A 289 35.348 -0.265 3.176 1.00 0.00 C ATOM 395 C TYR A 289 36.852 -0.473 3.125 1.00 0.00 C ATOM 396 O TYR A 289 37.528 -0.019 2.203 1.00 0.00 O ATOM 397 CB TYR A 289 34.991 0.779 4.232 1.00 0.00 C ATOM 398 CG TYR A 289 33.624 1.402 4.048 1.00 0.00 C ATOM 399 CD1 TYR A 289 32.813 1.055 2.973 1.00 0.00 C ATOM 400 CD2 TYR A 289 33.143 2.340 4.954 1.00 0.00 C ATOM 401 CE1 TYR A 289 31.568 1.625 2.808 1.00 0.00 C ATOM 402 CE2 TYR A 289 31.898 2.913 4.795 1.00 0.00 C ATOM 403 CZ TYR A 289 31.114 2.553 3.720 1.00 0.00 C ATOM 404 OH TYR A 289 29.873 3.124 3.556 1.00 0.00 O ATOM 0 H TYR A 289 34.150 -1.537 4.328 1.00 0.00 H new ATOM 0 HA TYR A 289 34.993 0.101 2.212 1.00 0.00 H new ATOM 0 HB2 TYR A 289 35.037 0.314 5.217 1.00 0.00 H new ATOM 0 HB3 TYR A 289 35.743 1.568 4.216 1.00 0.00 H new ATOM 0 HD1 TYR A 289 33.164 0.328 2.256 1.00 0.00 H new ATOM 0 HD2 TYR A 289 33.755 2.625 5.797 1.00 0.00 H new ATOM 0 HE1 TYR A 289 30.951 1.345 1.967 1.00 0.00 H new ATOM 0 HE2 TYR A 289 31.540 3.640 5.509 1.00 0.00 H new ATOM 0 HH TYR A 289 29.799 3.916 4.129 1.00 0.00 H new ATOM 414 N ALA A 290 37.365 -1.200 4.115 1.00 0.00 N ATOM 415 CA ALA A 290 38.782 -1.510 4.167 1.00 0.00 C ATOM 416 C ALA A 290 39.152 -2.388 2.980 1.00 0.00 C ATOM 417 O ALA A 290 40.301 -2.413 2.538 1.00 0.00 O ATOM 418 CB ALA A 290 39.125 -2.207 5.475 1.00 0.00 C ATOM 0 H ALA A 290 36.819 -1.582 4.887 1.00 0.00 H new ATOM 0 HA ALA A 290 39.354 -0.584 4.117 1.00 0.00 H new ATOM 0 HB1 ALA A 290 40.191 -2.433 5.498 1.00 0.00 H new ATOM 0 HB2 ALA A 290 38.874 -1.555 6.312 1.00 0.00 H new ATOM 0 HB3 ALA A 290 38.556 -3.134 5.554 1.00 0.00 H new ATOM 424 N MET A 291 38.154 -3.105 2.466 1.00 0.00 N ATOM 425 CA MET A 291 38.349 -3.988 1.322 1.00 0.00 C ATOM 426 C MET A 291 38.725 -3.182 0.079 1.00 0.00 C ATOM 427 O MET A 291 39.608 -3.575 -0.683 1.00 0.00 O ATOM 428 CB MET A 291 37.081 -4.827 1.074 1.00 0.00 C ATOM 429 CG MET A 291 36.200 -4.333 -0.071 1.00 0.00 C ATOM 430 SD MET A 291 34.450 -4.680 0.189 1.00 0.00 S ATOM 431 CE MET A 291 33.743 -3.047 -0.049 1.00 0.00 C ATOM 0 H MET A 291 37.200 -3.090 2.827 1.00 0.00 H new ATOM 0 HA MET A 291 39.172 -4.669 1.542 1.00 0.00 H new ATOM 0 HB2 MET A 291 37.377 -5.855 0.868 1.00 0.00 H new ATOM 0 HB3 MET A 291 36.488 -4.843 1.989 1.00 0.00 H new ATOM 0 HG2 MET A 291 36.338 -3.258 -0.191 1.00 0.00 H new ATOM 0 HG3 MET A 291 36.524 -4.802 -1.000 1.00 0.00 H new ATOM 0 HE1 MET A 291 33.257 -2.723 0.871 1.00 0.00 H new ATOM 0 HE2 MET A 291 34.533 -2.343 -0.309 1.00 0.00 H new ATOM 0 HE3 MET A 291 33.009 -3.082 -0.854 1.00 0.00 H new ATOM 441 N GLN A 292 38.052 -2.052 -0.120 1.00 0.00 N ATOM 442 CA GLN A 292 38.322 -1.198 -1.272 1.00 0.00 C ATOM 443 C GLN A 292 39.468 -0.239 -0.977 1.00 0.00 C ATOM 444 O GLN A 292 40.054 0.344 -1.889 1.00 0.00 O ATOM 445 CB GLN A 292 37.068 -0.416 -1.669 1.00 0.00 C ATOM 446 CG GLN A 292 36.745 0.738 -0.733 1.00 0.00 C ATOM 447 CD GLN A 292 37.669 1.923 -0.926 1.00 0.00 C ATOM 448 OE1 GLN A 292 38.399 2.312 -0.015 1.00 0.00 O ATOM 449 NE2 GLN A 292 37.643 2.504 -2.121 1.00 0.00 N ATOM 0 H GLN A 292 37.318 -1.708 0.499 1.00 0.00 H new ATOM 0 HA GLN A 292 38.612 -1.838 -2.105 1.00 0.00 H new ATOM 0 HB2 GLN A 292 37.198 -0.027 -2.679 1.00 0.00 H new ATOM 0 HB3 GLN A 292 36.219 -1.098 -1.697 1.00 0.00 H new ATOM 0 HG2 GLN A 292 35.715 1.055 -0.896 1.00 0.00 H new ATOM 0 HG3 GLN A 292 36.813 0.394 0.299 1.00 0.00 H new ATOM 0 HE21 GLN A 292 37.022 2.148 -2.848 1.00 0.00 H new ATOM 0 HE22 GLN A 292 38.244 3.306 -2.311 1.00 0.00 H new ATOM 458 N MET A 293 39.789 -0.085 0.303 1.00 0.00 N ATOM 459 CA MET A 293 40.872 0.797 0.717 1.00 0.00 C ATOM 460 C MET A 293 42.222 0.119 0.501 1.00 0.00 C ATOM 461 O MET A 293 43.216 0.776 0.187 1.00 0.00 O ATOM 462 CB MET A 293 40.697 1.193 2.190 1.00 0.00 C ATOM 463 CG MET A 293 42.007 1.399 2.938 1.00 0.00 C ATOM 464 SD MET A 293 41.825 2.467 4.378 1.00 0.00 S ATOM 465 CE MET A 293 42.749 1.545 5.603 1.00 0.00 C ATOM 0 H MET A 293 39.314 -0.560 1.071 1.00 0.00 H new ATOM 0 HA MET A 293 40.841 1.700 0.108 1.00 0.00 H new ATOM 0 HB2 MET A 293 40.113 2.112 2.241 1.00 0.00 H new ATOM 0 HB3 MET A 293 40.119 0.420 2.697 1.00 0.00 H new ATOM 0 HG2 MET A 293 42.396 0.431 3.255 1.00 0.00 H new ATOM 0 HG3 MET A 293 42.743 1.832 2.261 1.00 0.00 H new ATOM 0 HE1 MET A 293 42.729 2.080 6.553 1.00 0.00 H new ATOM 0 HE2 MET A 293 42.300 0.560 5.732 1.00 0.00 H new ATOM 0 HE3 MET A 293 43.781 1.433 5.272 1.00 0.00 H new ATOM 475 N SER A 294 42.250 -1.198 0.673 1.00 0.00 N ATOM 476 CA SER A 294 43.476 -1.966 0.498 1.00 0.00 C ATOM 477 C SER A 294 43.571 -2.523 -0.918 1.00 0.00 C ATOM 478 O SER A 294 44.665 -2.723 -1.445 1.00 0.00 O ATOM 479 CB SER A 294 43.536 -3.108 1.514 1.00 0.00 C ATOM 480 OG SER A 294 44.512 -2.855 2.510 1.00 0.00 O ATOM 0 H SER A 294 41.437 -1.756 0.934 1.00 0.00 H new ATOM 0 HA SER A 294 44.321 -1.298 0.663 1.00 0.00 H new ATOM 0 HB2 SER A 294 42.559 -3.235 1.981 1.00 0.00 H new ATOM 0 HB3 SER A 294 43.768 -4.042 1.002 1.00 0.00 H new ATOM 0 HG SER A 294 44.529 -3.599 3.148 1.00 0.00 H new ATOM 486 N LEU A 295 42.417 -2.769 -1.532 1.00 0.00 N ATOM 487 CA LEU A 295 42.373 -3.300 -2.889 1.00 0.00 C ATOM 488 C LEU A 295 41.993 -2.213 -3.887 1.00 0.00 C ATOM 489 O LEU A 295 40.949 -2.288 -4.535 1.00 0.00 O ATOM 490 CB LEU A 295 41.375 -4.457 -2.975 1.00 0.00 C ATOM 491 CG LEU A 295 41.985 -5.813 -3.335 1.00 0.00 C ATOM 492 CD1 LEU A 295 42.339 -5.864 -4.812 1.00 0.00 C ATOM 493 CD2 LEU A 295 43.212 -6.086 -2.479 1.00 0.00 C ATOM 0 H LEU A 295 41.502 -2.609 -1.111 1.00 0.00 H new ATOM 0 HA LEU A 295 43.368 -3.667 -3.140 1.00 0.00 H new ATOM 0 HB2 LEU A 295 40.865 -4.548 -2.016 1.00 0.00 H new ATOM 0 HB3 LEU A 295 40.617 -4.208 -3.717 1.00 0.00 H new ATOM 0 HG LEU A 295 41.246 -6.589 -3.135 1.00 0.00 H new ATOM 0 HD11 LEU A 295 42.772 -6.836 -5.049 1.00 0.00 H new ATOM 0 HD12 LEU A 295 41.439 -5.712 -5.407 1.00 0.00 H new ATOM 0 HD13 LEU A 295 43.061 -5.080 -5.040 1.00 0.00 H new ATOM 0 HD21 LEU A 295 43.635 -7.054 -2.747 1.00 0.00 H new ATOM 0 HD22 LEU A 295 43.955 -5.306 -2.649 1.00 0.00 H new ATOM 0 HD23 LEU A 295 42.927 -6.093 -1.427 1.00 0.00 H new ATOM 505 N GLN A 296 42.847 -1.201 -4.007 1.00 0.00 N ATOM 506 CA GLN A 296 42.599 -0.098 -4.928 1.00 0.00 C ATOM 507 C GLN A 296 42.730 -0.558 -6.377 1.00 0.00 C ATOM 508 O GLN A 296 42.384 0.174 -7.303 1.00 0.00 O ATOM 509 CB GLN A 296 43.574 1.049 -4.655 1.00 0.00 C ATOM 510 CG GLN A 296 43.204 1.884 -3.439 1.00 0.00 C ATOM 511 CD GLN A 296 44.010 3.164 -3.343 1.00 0.00 C ATOM 512 OE1 GLN A 296 44.604 3.460 -2.306 1.00 0.00 O ATOM 513 NE2 GLN A 296 44.034 3.930 -4.427 1.00 0.00 N ATOM 0 H GLN A 296 43.716 -1.122 -3.478 1.00 0.00 H new ATOM 0 HA GLN A 296 41.580 0.254 -4.769 1.00 0.00 H new ATOM 0 HB2 GLN A 296 44.574 0.639 -4.514 1.00 0.00 H new ATOM 0 HB3 GLN A 296 43.616 1.696 -5.531 1.00 0.00 H new ATOM 0 HG2 GLN A 296 42.143 2.130 -3.481 1.00 0.00 H new ATOM 0 HG3 GLN A 296 43.359 1.293 -2.536 1.00 0.00 H new ATOM 0 HE21 GLN A 296 43.527 3.645 -5.264 1.00 0.00 H new ATOM 0 HE22 GLN A 296 44.560 4.804 -4.422 1.00 0.00 H new ATOM 522 N GLY A 297 43.232 -1.775 -6.564 1.00 0.00 N ATOM 523 CA GLY A 297 43.399 -2.310 -7.903 1.00 0.00 C ATOM 524 C GLY A 297 42.434 -3.441 -8.202 1.00 0.00 C ATOM 525 O GLY A 297 42.615 -4.178 -9.171 1.00 0.00 O ATOM 0 H GLY A 297 43.526 -2.399 -5.813 1.00 0.00 H new ATOM 0 HA2 GLY A 297 43.254 -1.511 -8.630 1.00 0.00 H new ATOM 0 HA3 GLY A 297 44.422 -2.668 -8.023 1.00 0.00 H new ATOM 529 N ALA A 298 41.408 -3.578 -7.368 1.00 0.00 N ATOM 530 CA ALA A 298 40.413 -4.628 -7.549 1.00 0.00 C ATOM 531 C ALA A 298 39.484 -4.309 -8.715 1.00 0.00 C ATOM 532 O ALA A 298 39.265 -5.143 -9.594 1.00 0.00 O ATOM 533 CB ALA A 298 39.610 -4.820 -6.271 1.00 0.00 C ATOM 0 H ALA A 298 41.244 -2.976 -6.561 1.00 0.00 H new ATOM 0 HA ALA A 298 40.938 -5.555 -7.779 1.00 0.00 H new ATOM 0 HB1 ALA A 298 38.871 -5.607 -6.421 1.00 0.00 H new ATOM 0 HB2 ALA A 298 40.280 -5.101 -5.459 1.00 0.00 H new ATOM 0 HB3 ALA A 298 39.103 -3.889 -6.017 1.00 0.00 H new ATOM 539 N GLU A 299 38.940 -3.095 -8.716 1.00 0.00 N ATOM 540 CA GLU A 299 38.033 -2.665 -9.775 1.00 0.00 C ATOM 541 C GLU A 299 37.083 -3.790 -10.170 1.00 0.00 C ATOM 542 O GLU A 299 37.419 -4.639 -10.995 1.00 0.00 O ATOM 543 CB GLU A 299 38.826 -2.199 -10.997 1.00 0.00 C ATOM 544 CG GLU A 299 37.971 -1.517 -12.053 1.00 0.00 C ATOM 545 CD GLU A 299 37.659 -2.424 -13.226 1.00 0.00 C ATOM 546 OE1 GLU A 299 36.731 -3.251 -13.106 1.00 0.00 O ATOM 547 OE2 GLU A 299 38.342 -2.307 -14.265 1.00 0.00 O ATOM 0 H GLU A 299 39.111 -2.393 -7.996 1.00 0.00 H new ATOM 0 HA GLU A 299 37.442 -1.832 -9.395 1.00 0.00 H new ATOM 0 HB2 GLU A 299 39.606 -1.510 -10.673 1.00 0.00 H new ATOM 0 HB3 GLU A 299 39.325 -3.058 -11.445 1.00 0.00 H new ATOM 0 HG2 GLU A 299 37.038 -1.182 -11.599 1.00 0.00 H new ATOM 0 HG3 GLU A 299 38.487 -0.627 -12.414 1.00 0.00 H new ATOM 554 N PHE A 300 35.894 -3.789 -9.575 1.00 0.00 N ATOM 555 CA PHE A 300 34.892 -4.809 -9.865 1.00 0.00 C ATOM 556 C PHE A 300 33.526 -4.394 -9.332 1.00 0.00 C ATOM 557 O PHE A 300 33.330 -4.273 -8.123 1.00 0.00 O ATOM 558 CB PHE A 300 35.306 -6.149 -9.254 1.00 0.00 C ATOM 559 CG PHE A 300 35.258 -6.166 -7.753 1.00 0.00 C ATOM 560 CD1 PHE A 300 36.047 -5.299 -7.012 1.00 0.00 C ATOM 561 CD2 PHE A 300 34.425 -7.046 -7.083 1.00 0.00 C ATOM 562 CE1 PHE A 300 36.005 -5.313 -5.630 1.00 0.00 C ATOM 563 CE2 PHE A 300 34.379 -7.064 -5.701 1.00 0.00 C ATOM 564 CZ PHE A 300 35.169 -6.196 -4.975 1.00 0.00 C ATOM 0 H PHE A 300 35.601 -3.093 -8.889 1.00 0.00 H new ATOM 0 HA PHE A 300 34.822 -4.918 -10.947 1.00 0.00 H new ATOM 0 HB2 PHE A 300 34.652 -6.932 -9.639 1.00 0.00 H new ATOM 0 HB3 PHE A 300 36.318 -6.390 -9.580 1.00 0.00 H new ATOM 0 HD1 PHE A 300 36.701 -4.606 -7.520 1.00 0.00 H new ATOM 0 HD2 PHE A 300 33.804 -7.726 -7.646 1.00 0.00 H new ATOM 0 HE1 PHE A 300 36.625 -4.634 -5.063 1.00 0.00 H new ATOM 0 HE2 PHE A 300 33.726 -7.756 -5.191 1.00 0.00 H new ATOM 0 HZ PHE A 300 35.134 -6.207 -3.896 1.00 0.00 H new ATOM 574 N GLY A 301 32.582 -4.178 -10.242 1.00 0.00 N ATOM 575 CA GLY A 301 31.246 -3.779 -9.845 1.00 0.00 C ATOM 576 C GLY A 301 30.287 -4.951 -9.773 1.00 0.00 C ATOM 577 O GLY A 301 29.133 -4.793 -9.375 1.00 0.00 O ATOM 0 H GLY A 301 32.719 -4.272 -11.248 1.00 0.00 H new ATOM 0 HA2 GLY A 301 31.291 -3.290 -8.872 1.00 0.00 H new ATOM 0 HA3 GLY A 301 30.864 -3.044 -10.554 1.00 0.00 H new ATOM 581 N GLN A 302 30.765 -6.130 -10.158 1.00 0.00 N ATOM 582 CA GLN A 302 29.943 -7.332 -10.136 1.00 0.00 C ATOM 583 C GLN A 302 28.556 -7.054 -10.705 1.00 0.00 C ATOM 584 O GLN A 302 27.559 -7.604 -10.238 1.00 0.00 O ATOM 585 CB GLN A 302 29.822 -7.864 -8.706 1.00 0.00 C ATOM 586 CG GLN A 302 30.020 -9.367 -8.597 1.00 0.00 C ATOM 587 CD GLN A 302 29.097 -10.005 -7.576 1.00 0.00 C ATOM 588 OE1 GLN A 302 28.466 -9.314 -6.777 1.00 0.00 O ATOM 589 NE2 GLN A 302 29.015 -11.330 -7.600 1.00 0.00 N ATOM 0 H GLN A 302 31.718 -6.277 -10.489 1.00 0.00 H new ATOM 0 HA GLN A 302 30.427 -8.085 -10.759 1.00 0.00 H new ATOM 0 HB2 GLN A 302 30.558 -7.363 -8.077 1.00 0.00 H new ATOM 0 HB3 GLN A 302 28.838 -7.606 -8.313 1.00 0.00 H new ATOM 0 HG2 GLN A 302 29.849 -9.824 -9.572 1.00 0.00 H new ATOM 0 HG3 GLN A 302 31.055 -9.575 -8.325 1.00 0.00 H new ATOM 0 HE21 GLN A 302 29.557 -11.862 -8.281 1.00 0.00 H new ATOM 0 HE22 GLN A 302 28.410 -11.816 -6.938 1.00 0.00 H new ATOM 598 N ALA A 303 28.500 -6.194 -11.718 1.00 0.00 N ATOM 599 CA ALA A 303 27.236 -5.841 -12.351 1.00 0.00 C ATOM 600 C ALA A 303 27.442 -5.451 -13.811 1.00 0.00 C ATOM 601 O ALA A 303 26.654 -5.823 -14.680 1.00 0.00 O ATOM 602 CB ALA A 303 26.564 -4.708 -11.591 1.00 0.00 C ATOM 0 H ALA A 303 29.316 -5.730 -12.117 1.00 0.00 H new ATOM 0 HA ALA A 303 26.588 -6.717 -12.324 1.00 0.00 H new ATOM 0 HB1 ALA A 303 25.621 -4.454 -12.075 1.00 0.00 H new ATOM 0 HB2 ALA A 303 26.373 -5.022 -10.565 1.00 0.00 H new ATOM 0 HB3 ALA A 303 27.216 -3.835 -11.588 1.00 0.00 H new ATOM 608 N GLU A 304 28.506 -4.700 -14.073 1.00 0.00 N ATOM 609 CA GLU A 304 28.817 -4.259 -15.427 1.00 0.00 C ATOM 610 C GLU A 304 30.002 -3.297 -15.428 1.00 0.00 C ATOM 611 O GLU A 304 29.892 -2.161 -15.887 1.00 0.00 O ATOM 612 CB GLU A 304 27.597 -3.586 -16.059 1.00 0.00 C ATOM 613 CG GLU A 304 27.341 -4.018 -17.495 1.00 0.00 C ATOM 614 CD GLU A 304 26.898 -5.465 -17.598 1.00 0.00 C ATOM 615 OE1 GLU A 304 25.773 -5.775 -17.152 1.00 0.00 O ATOM 616 OE2 GLU A 304 27.676 -6.288 -18.124 1.00 0.00 O ATOM 0 H GLU A 304 29.168 -4.384 -13.364 1.00 0.00 H new ATOM 0 HA GLU A 304 29.085 -5.136 -16.016 1.00 0.00 H new ATOM 0 HB2 GLU A 304 26.716 -3.811 -15.458 1.00 0.00 H new ATOM 0 HB3 GLU A 304 27.734 -2.505 -16.032 1.00 0.00 H new ATOM 0 HG2 GLU A 304 26.577 -3.376 -17.933 1.00 0.00 H new ATOM 0 HG3 GLU A 304 28.250 -3.877 -18.080 1.00 0.00 H new ATOM 623 N SER A 305 31.134 -3.762 -14.909 1.00 0.00 N ATOM 624 CA SER A 305 32.341 -2.945 -14.848 1.00 0.00 C ATOM 625 C SER A 305 32.177 -1.805 -13.847 1.00 0.00 C ATOM 626 O SER A 305 31.150 -1.695 -13.178 1.00 0.00 O ATOM 627 CB SER A 305 32.671 -2.380 -16.231 1.00 0.00 C ATOM 628 OG SER A 305 31.958 -3.065 -17.246 1.00 0.00 O ATOM 0 H SER A 305 31.241 -4.701 -14.524 1.00 0.00 H new ATOM 0 HA SER A 305 33.162 -3.580 -14.517 1.00 0.00 H new ATOM 0 HB2 SER A 305 32.424 -1.319 -16.262 1.00 0.00 H new ATOM 0 HB3 SER A 305 33.742 -2.464 -16.415 1.00 0.00 H new ATOM 0 HG SER A 305 32.185 -2.684 -18.120 1.00 0.00 H new ATOM 634 N ALA A 306 33.199 -0.960 -13.749 1.00 0.00 N ATOM 635 CA ALA A 306 33.169 0.171 -12.829 1.00 0.00 C ATOM 636 C ALA A 306 33.763 1.419 -13.474 1.00 0.00 C ATOM 637 O ALA A 306 34.899 1.403 -13.949 1.00 0.00 O ATOM 638 CB ALA A 306 33.917 -0.170 -11.549 1.00 0.00 C ATOM 0 H ALA A 306 34.057 -1.037 -14.295 1.00 0.00 H new ATOM 0 HA ALA A 306 32.128 0.381 -12.584 1.00 0.00 H new ATOM 0 HB1 ALA A 306 33.887 0.683 -10.871 1.00 0.00 H new ATOM 0 HB2 ALA A 306 33.447 -1.030 -11.071 1.00 0.00 H new ATOM 0 HB3 ALA A 306 34.954 -0.408 -11.786 1.00 0.00 H new ATOM 644 N ASP A 307 32.988 2.498 -13.485 1.00 0.00 N ATOM 645 CA ASP A 307 33.438 3.756 -14.071 1.00 0.00 C ATOM 646 C ASP A 307 34.045 4.664 -13.006 1.00 0.00 C ATOM 647 O ASP A 307 33.327 5.009 -12.044 1.00 0.00 O ATOM 648 CB ASP A 307 32.272 4.466 -14.760 1.00 0.00 C ATOM 649 CG ASP A 307 31.377 5.195 -13.777 1.00 0.00 C ATOM 650 OD1 ASP A 307 31.680 6.362 -13.451 1.00 0.00 O ATOM 651 OD2 ASP A 307 30.373 4.600 -13.334 1.00 0.00 O ATOM 652 OXT ASP A 307 35.233 5.023 -13.144 1.00 0.00 O ATOM 0 H ASP A 307 32.046 2.527 -13.095 1.00 0.00 H new ATOM 0 HA ASP A 307 34.206 3.531 -14.811 1.00 0.00 H new ATOM 0 HB2 ASP A 307 32.662 5.177 -15.488 1.00 0.00 H new ATOM 0 HB3 ASP A 307 31.681 3.736 -15.313 1.00 0.00 H new TER 657 ASP A 307