USER MOD reduce.3.24.130724 H: found=0, std=0, add=188, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 191 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 SER OG : rot 32:sc= 0.0494 USER MOD Single : A 272 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 273 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 275 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 282 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 284 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 263 -14.167 -9.469 -4.286 1.00 0.00 N ATOM 2 CA SER A 263 -14.313 -8.907 -2.947 1.00 0.00 C ATOM 3 C SER A 263 -14.110 -7.409 -2.964 1.00 0.00 C ATOM 4 O SER A 263 -13.821 -6.802 -4.003 1.00 0.00 O ATOM 5 CB SER A 263 -13.350 -9.599 -1.950 1.00 0.00 C ATOM 6 OG SER A 263 -13.495 -11.023 -1.933 1.00 0.00 O ATOM 0 HA SER A 263 -15.331 -9.096 -2.608 1.00 0.00 H new ATOM 0 HB2 SER A 263 -12.322 -9.347 -2.211 1.00 0.00 H new ATOM 0 HB3 SER A 263 -13.530 -9.208 -0.948 1.00 0.00 H new ATOM 0 HG SER A 263 -13.761 -11.335 -2.823 1.00 0.00 H new ATOM 14 N TRP A 264 -14.247 -6.789 -1.807 1.00 0.00 N ATOM 15 CA TRP A 264 -14.090 -5.344 -1.678 1.00 0.00 C ATOM 16 C TRP A 264 -12.630 -4.959 -1.634 1.00 0.00 C ATOM 17 O TRP A 264 -11.730 -5.805 -1.705 1.00 0.00 O ATOM 18 CB TRP A 264 -14.798 -4.870 -0.379 1.00 0.00 C ATOM 19 CG TRP A 264 -15.457 -3.490 -0.472 1.00 0.00 C ATOM 20 CD1 TRP A 264 -16.679 -3.204 -1.115 1.00 0.00 C ATOM 21 CD2 TRP A 264 -15.021 -2.296 0.061 1.00 0.00 C ATOM 22 NE1 TRP A 264 -17.020 -1.842 -0.998 1.00 0.00 N ATOM 23 CE2 TRP A 264 -15.976 -1.301 -0.264 1.00 0.00 C ATOM 24 CE3 TRP A 264 -13.853 -1.964 0.795 1.00 0.00 C ATOM 25 CZ2 TRP A 264 -15.777 0.033 0.157 1.00 0.00 C ATOM 26 CZ3 TRP A 264 -13.660 -0.633 1.166 1.00 0.00 C ATOM 27 CH2 TRP A 264 -14.622 0.345 0.880 1.00 0.00 C ATOM 0 H TRP A 264 -14.469 -7.265 -0.933 1.00 0.00 H new ATOM 0 HA TRP A 264 -14.541 -4.863 -2.546 1.00 0.00 H new ATOM 0 HB2 TRP A 264 -15.559 -5.603 -0.109 1.00 0.00 H new ATOM 0 HB3 TRP A 264 -14.068 -4.855 0.431 1.00 0.00 H new ATOM 0 HD1 TRP A 264 -17.279 -3.938 -1.633 1.00 0.00 H new ATOM 0 HE1 TRP A 264 -17.843 -1.365 -1.367 1.00 0.00 H new ATOM 0 HE3 TRP A 264 -13.131 -2.723 1.060 1.00 0.00 H new ATOM 0 HZ2 TRP A 264 -16.504 0.797 -0.075 1.00 0.00 H new ATOM 0 HZ3 TRP A 264 -12.754 -0.352 1.682 1.00 0.00 H new ATOM 0 HH2 TRP A 264 -14.468 1.357 1.224 1.00 0.00 H new ATOM 38 N PHE A 265 -12.368 -3.671 -1.498 1.00 0.00 N ATOM 39 CA PHE A 265 -11.005 -3.149 -1.542 1.00 0.00 C ATOM 40 C PHE A 265 -10.347 -3.439 -2.872 1.00 0.00 C ATOM 41 O PHE A 265 -9.130 -3.664 -2.954 1.00 0.00 O ATOM 42 CB PHE A 265 -10.143 -3.797 -0.414 1.00 0.00 C ATOM 43 CG PHE A 265 -10.767 -3.860 0.988 1.00 0.00 C ATOM 44 CD1 PHE A 265 -11.571 -4.950 1.340 1.00 0.00 C ATOM 45 CD2 PHE A 265 -10.513 -2.859 1.929 1.00 0.00 C ATOM 46 CE1 PHE A 265 -12.113 -5.039 2.618 1.00 0.00 C ATOM 47 CE2 PHE A 265 -11.061 -2.945 3.207 1.00 0.00 C ATOM 48 CZ PHE A 265 -11.856 -4.037 3.552 1.00 0.00 C ATOM 0 H PHE A 265 -13.084 -2.959 -1.355 1.00 0.00 H new ATOM 0 HA PHE A 265 -11.066 -2.070 -1.400 1.00 0.00 H new ATOM 0 HB2 PHE A 265 -9.892 -4.813 -0.720 1.00 0.00 H new ATOM 0 HB3 PHE A 265 -9.206 -3.245 -0.344 1.00 0.00 H new ATOM 0 HD1 PHE A 265 -11.772 -5.726 0.616 1.00 0.00 H new ATOM 0 HD2 PHE A 265 -9.891 -2.017 1.665 1.00 0.00 H new ATOM 0 HE1 PHE A 265 -12.732 -5.883 2.886 1.00 0.00 H new ATOM 0 HE2 PHE A 265 -10.870 -2.166 3.930 1.00 0.00 H new ATOM 0 HZ PHE A 265 -12.274 -4.107 4.545 1.00 0.00 H new ATOM 58 N GLU A 266 -11.123 -3.419 -3.938 1.00 0.00 N ATOM 59 CA GLU A 266 -10.580 -3.540 -5.290 1.00 0.00 C ATOM 60 C GLU A 266 -9.768 -2.324 -5.663 1.00 0.00 C ATOM 61 O GLU A 266 -8.637 -2.420 -6.130 1.00 0.00 O ATOM 62 CB GLU A 266 -11.755 -3.765 -6.286 1.00 0.00 C ATOM 63 CG GLU A 266 -11.585 -4.902 -7.348 1.00 0.00 C ATOM 64 CD GLU A 266 -12.578 -6.067 -7.333 1.00 0.00 C ATOM 65 OE1 GLU A 266 -13.771 -5.922 -7.106 1.00 0.00 O ATOM 66 OE2 GLU A 266 -12.008 -7.275 -7.597 1.00 0.00 O ATOM 0 H GLU A 266 -12.137 -3.320 -3.900 1.00 0.00 H new ATOM 0 HA GLU A 266 -9.905 -4.394 -5.333 1.00 0.00 H new ATOM 0 HB2 GLU A 266 -12.654 -3.976 -5.706 1.00 0.00 H new ATOM 0 HB3 GLU A 266 -11.931 -2.830 -6.818 1.00 0.00 H new ATOM 0 HG2 GLU A 266 -11.627 -4.443 -8.336 1.00 0.00 H new ATOM 0 HG3 GLU A 266 -10.584 -5.318 -7.232 1.00 0.00 H new ATOM 73 N PRO A 267 -10.338 -1.152 -5.460 1.00 0.00 N ATOM 74 CA PRO A 267 -9.708 0.221 -5.692 1.00 0.00 C ATOM 75 C PRO A 267 -8.783 0.689 -4.585 1.00 0.00 C ATOM 76 O PRO A 267 -7.827 1.441 -4.818 1.00 0.00 O ATOM 77 CB PRO A 267 -10.846 1.221 -5.814 1.00 0.00 C ATOM 78 CG PRO A 267 -12.135 0.404 -5.655 1.00 0.00 C ATOM 79 CD PRO A 267 -11.713 -0.897 -4.966 1.00 0.00 C ATOM 0 HA PRO A 267 -9.092 0.145 -6.588 1.00 0.00 H new ATOM 0 HB2 PRO A 267 -10.774 1.992 -5.047 1.00 0.00 H new ATOM 0 HB3 PRO A 267 -10.820 1.728 -6.779 1.00 0.00 H new ATOM 0 HG2 PRO A 267 -12.870 0.943 -5.058 1.00 0.00 H new ATOM 0 HG3 PRO A 267 -12.595 0.204 -6.623 1.00 0.00 H new ATOM 0 HD2 PRO A 267 -11.732 -0.795 -3.881 1.00 0.00 H new ATOM 0 HD3 PRO A 267 -12.384 -1.717 -5.221 1.00 0.00 H new ATOM 87 N LEU A 268 -9.066 0.281 -3.363 1.00 0.00 N ATOM 88 CA LEU A 268 -8.379 0.798 -2.183 1.00 0.00 C ATOM 89 C LEU A 268 -6.915 0.419 -2.174 1.00 0.00 C ATOM 90 O LEU A 268 -6.074 1.119 -1.586 1.00 0.00 O ATOM 91 CB LEU A 268 -9.083 0.302 -0.886 1.00 0.00 C ATOM 92 CG LEU A 268 -8.449 0.680 0.480 1.00 0.00 C ATOM 93 CD1 LEU A 268 -8.677 2.155 0.853 1.00 0.00 C ATOM 94 CD2 LEU A 268 -9.003 -0.226 1.589 1.00 0.00 C ATOM 0 H LEU A 268 -9.778 -0.419 -3.154 1.00 0.00 H new ATOM 0 HA LEU A 268 -8.432 1.886 -2.219 1.00 0.00 H new ATOM 0 HB2 LEU A 268 -10.105 0.681 -0.896 1.00 0.00 H new ATOM 0 HB3 LEU A 268 -9.145 -0.785 -0.935 1.00 0.00 H new ATOM 0 HG LEU A 268 -7.374 0.533 0.380 1.00 0.00 H new ATOM 0 HD11 LEU A 268 -8.212 2.363 1.817 1.00 0.00 H new ATOM 0 HD12 LEU A 268 -8.233 2.796 0.091 1.00 0.00 H new ATOM 0 HD13 LEU A 268 -9.747 2.353 0.916 1.00 0.00 H new ATOM 0 HD21 LEU A 268 -8.551 0.048 2.542 1.00 0.00 H new ATOM 0 HD22 LEU A 268 -10.084 -0.105 1.652 1.00 0.00 H new ATOM 0 HD23 LEU A 268 -8.767 -1.266 1.361 1.00 0.00 H new ATOM 106 N VAL A 269 -6.578 -0.699 -2.786 1.00 0.00 N ATOM 107 CA VAL A 269 -5.216 -1.227 -2.743 1.00 0.00 C ATOM 108 C VAL A 269 -4.315 -0.502 -3.716 1.00 0.00 C ATOM 109 O VAL A 269 -3.091 -0.426 -3.531 1.00 0.00 O ATOM 110 CB VAL A 269 -5.233 -2.778 -3.047 1.00 0.00 C ATOM 111 CG1 VAL A 269 -3.908 -3.388 -3.585 1.00 0.00 C ATOM 112 CG2 VAL A 269 -5.618 -3.651 -1.828 1.00 0.00 C ATOM 0 H VAL A 269 -7.230 -1.268 -3.325 1.00 0.00 H new ATOM 0 HA VAL A 269 -4.815 -1.065 -1.742 1.00 0.00 H new ATOM 0 HB VAL A 269 -5.991 -2.809 -3.829 1.00 0.00 H new ATOM 0 HG11 VAL A 269 -4.042 -4.456 -3.756 1.00 0.00 H new ATOM 0 HG12 VAL A 269 -3.638 -2.902 -4.522 1.00 0.00 H new ATOM 0 HG13 VAL A 269 -3.114 -3.234 -2.854 1.00 0.00 H new ATOM 0 HG21 VAL A 269 -5.608 -4.702 -2.116 1.00 0.00 H new ATOM 0 HG22 VAL A 269 -4.902 -3.488 -1.023 1.00 0.00 H new ATOM 0 HG23 VAL A 269 -6.616 -3.378 -1.486 1.00 0.00 H new ATOM 122 N GLU A 270 -4.890 0.018 -4.784 1.00 0.00 N ATOM 123 CA GLU A 270 -4.142 0.819 -5.751 1.00 0.00 C ATOM 124 C GLU A 270 -3.669 2.113 -5.131 1.00 0.00 C ATOM 125 O GLU A 270 -2.616 2.658 -5.487 1.00 0.00 O ATOM 126 CB GLU A 270 -5.051 1.086 -6.984 1.00 0.00 C ATOM 127 CG GLU A 270 -4.872 0.147 -8.223 1.00 0.00 C ATOM 128 CD GLU A 270 -6.077 -0.088 -9.136 1.00 0.00 C ATOM 129 OE1 GLU A 270 -7.227 -0.146 -8.721 1.00 0.00 O ATOM 130 OE2 GLU A 270 -5.749 -0.225 -10.451 1.00 0.00 O ATOM 0 H GLU A 270 -5.878 -0.098 -5.010 1.00 0.00 H new ATOM 0 HA GLU A 270 -3.253 0.274 -6.068 1.00 0.00 H new ATOM 0 HB2 GLU A 270 -6.089 1.021 -6.658 1.00 0.00 H new ATOM 0 HB3 GLU A 270 -4.883 2.112 -7.311 1.00 0.00 H new ATOM 0 HG2 GLU A 270 -4.066 0.553 -8.834 1.00 0.00 H new ATOM 0 HG3 GLU A 270 -4.537 -0.824 -7.858 1.00 0.00 H new ATOM 137 N ASP A 271 -4.453 2.645 -4.213 1.00 0.00 N ATOM 138 CA ASP A 271 -4.051 3.810 -3.429 1.00 0.00 C ATOM 139 C ASP A 271 -3.050 3.432 -2.362 1.00 0.00 C ATOM 140 O ASP A 271 -2.201 4.237 -1.954 1.00 0.00 O ATOM 141 CB ASP A 271 -5.299 4.508 -2.828 1.00 0.00 C ATOM 142 CG ASP A 271 -5.239 6.038 -2.703 1.00 0.00 C ATOM 143 OD1 ASP A 271 -5.445 6.675 -3.895 1.00 0.00 O ATOM 144 OD2 ASP A 271 -5.040 6.613 -1.643 1.00 0.00 O ATOM 0 H ASP A 271 -5.382 2.289 -3.986 1.00 0.00 H new ATOM 0 HA ASP A 271 -3.555 4.520 -4.091 1.00 0.00 H new ATOM 0 HB2 ASP A 271 -6.162 4.250 -3.442 1.00 0.00 H new ATOM 0 HB3 ASP A 271 -5.477 4.092 -1.836 1.00 0.00 H new ATOM 149 N MET A 272 -3.146 2.213 -1.868 1.00 0.00 N ATOM 150 CA MET A 272 -2.205 1.701 -0.874 1.00 0.00 C ATOM 151 C MET A 272 -0.840 1.427 -1.465 1.00 0.00 C ATOM 152 O MET A 272 0.158 1.301 -0.734 1.00 0.00 O ATOM 153 CB MET A 272 -2.783 0.413 -0.221 1.00 0.00 C ATOM 154 CG MET A 272 -2.079 -0.060 1.068 1.00 0.00 C ATOM 155 SD MET A 272 -3.271 -0.167 2.413 1.00 0.00 S ATOM 156 CE MET A 272 -2.656 1.188 3.422 1.00 0.00 C ATOM 0 H MET A 272 -3.871 1.548 -2.138 1.00 0.00 H new ATOM 0 HA MET A 272 -2.073 2.471 -0.113 1.00 0.00 H new ATOM 0 HB2 MET A 272 -3.836 0.583 0.004 1.00 0.00 H new ATOM 0 HB3 MET A 272 -2.740 -0.394 -0.953 1.00 0.00 H new ATOM 0 HG2 MET A 272 -1.615 -1.032 0.903 1.00 0.00 H new ATOM 0 HG3 MET A 272 -1.281 0.634 1.332 1.00 0.00 H new ATOM 0 HE1 MET A 272 -3.272 1.285 4.316 1.00 0.00 H new ATOM 0 HE2 MET A 272 -1.625 0.987 3.712 1.00 0.00 H new ATOM 0 HE3 MET A 272 -2.698 2.115 2.851 1.00 0.00 H new ATOM 166 N GLN A 273 -0.756 1.291 -2.774 1.00 0.00 N ATOM 167 CA GLN A 273 0.510 0.994 -3.444 1.00 0.00 C ATOM 168 C GLN A 273 1.315 2.248 -3.698 1.00 0.00 C ATOM 169 O GLN A 273 2.549 2.208 -3.821 1.00 0.00 O ATOM 170 CB GLN A 273 0.204 0.259 -4.767 1.00 0.00 C ATOM 171 CG GLN A 273 1.085 -0.994 -5.081 1.00 0.00 C ATOM 172 CD GLN A 273 2.453 -0.799 -5.747 1.00 0.00 C ATOM 173 OE1 GLN A 273 2.751 0.258 -6.279 1.00 0.00 O ATOM 174 NE2 GLN A 273 3.324 -1.776 -5.751 1.00 0.00 N ATOM 0 H GLN A 273 -1.552 1.381 -3.405 1.00 0.00 H new ATOM 0 HA GLN A 273 1.116 0.359 -2.797 1.00 0.00 H new ATOM 0 HB2 GLN A 273 -0.841 -0.052 -4.752 1.00 0.00 H new ATOM 0 HB3 GLN A 273 0.314 0.969 -5.587 1.00 0.00 H new ATOM 0 HG2 GLN A 273 1.250 -1.523 -4.142 1.00 0.00 H new ATOM 0 HG3 GLN A 273 0.500 -1.655 -5.721 1.00 0.00 H new ATOM 0 HE21 GLN A 273 3.093 -2.667 -5.311 1.00 0.00 H new ATOM 0 HE22 GLN A 273 4.234 -1.646 -6.194 1.00 0.00 H new ATOM 183 N ARG A 274 0.642 3.377 -3.813 1.00 0.00 N ATOM 184 CA ARG A 274 1.312 4.660 -4.006 1.00 0.00 C ATOM 185 C ARG A 274 2.063 5.081 -2.765 1.00 0.00 C ATOM 186 O ARG A 274 3.255 5.420 -2.812 1.00 0.00 O ATOM 187 CB ARG A 274 0.254 5.724 -4.412 1.00 0.00 C ATOM 188 CG ARG A 274 -0.702 5.296 -5.556 1.00 0.00 C ATOM 189 CD ARG A 274 -0.777 6.329 -6.687 1.00 0.00 C ATOM 190 NE ARG A 274 0.558 6.958 -6.845 1.00 0.00 N ATOM 191 CZ ARG A 274 0.784 8.254 -7.013 1.00 0.00 C ATOM 192 NH1 ARG A 274 -0.146 9.161 -7.058 1.00 0.00 N ATOM 193 NH2 ARG A 274 2.007 8.632 -7.140 1.00 0.00 N ATOM 0 H ARG A 274 -0.376 3.437 -3.776 1.00 0.00 H new ATOM 0 HA ARG A 274 2.050 4.563 -4.802 1.00 0.00 H new ATOM 0 HB2 ARG A 274 -0.343 5.974 -3.535 1.00 0.00 H new ATOM 0 HB3 ARG A 274 0.773 6.634 -4.714 1.00 0.00 H new ATOM 0 HG2 ARG A 274 -0.369 4.342 -5.964 1.00 0.00 H new ATOM 0 HG3 ARG A 274 -1.700 5.137 -5.148 1.00 0.00 H new ATOM 0 HD2 ARG A 274 -1.081 5.850 -7.617 1.00 0.00 H new ATOM 0 HD3 ARG A 274 -1.527 7.086 -6.458 1.00 0.00 H new ATOM 0 HE ARG A 274 1.370 6.341 -6.822 1.00 0.00 H new ATOM 0 HH11 ARG A 274 -1.125 8.893 -6.961 1.00 0.00 H new ATOM 0 HH12 ARG A 274 0.103 10.141 -7.190 1.00 0.00 H new ATOM 0 HH21 ARG A 274 2.759 7.944 -7.110 1.00 0.00 H new ATOM 0 HH22 ARG A 274 2.224 9.620 -7.271 1.00 0.00 H new ATOM 207 N GLN A 275 1.398 5.042 -1.626 1.00 0.00 N ATOM 208 CA GLN A 275 1.943 5.604 -0.392 1.00 0.00 C ATOM 209 C GLN A 275 2.658 4.567 0.443 1.00 0.00 C ATOM 210 O GLN A 275 3.710 4.837 1.045 1.00 0.00 O ATOM 211 CB GLN A 275 0.784 6.245 0.408 1.00 0.00 C ATOM 212 CG GLN A 275 -0.376 5.291 0.845 1.00 0.00 C ATOM 213 CD GLN A 275 -0.837 5.297 2.308 1.00 0.00 C ATOM 214 OE1 GLN A 275 -0.342 4.541 3.129 1.00 0.00 O ATOM 215 NE2 GLN A 275 -1.782 6.117 2.692 1.00 0.00 N ATOM 0 H GLN A 275 0.473 4.625 -1.524 1.00 0.00 H new ATOM 0 HA GLN A 275 2.687 6.357 -0.650 1.00 0.00 H new ATOM 0 HB2 GLN A 275 1.202 6.706 1.303 1.00 0.00 H new ATOM 0 HB3 GLN A 275 0.357 7.047 -0.194 1.00 0.00 H new ATOM 0 HG2 GLN A 275 -1.243 5.524 0.227 1.00 0.00 H new ATOM 0 HG3 GLN A 275 -0.074 4.273 0.600 1.00 0.00 H new ATOM 0 HE21 GLN A 275 -2.207 6.756 2.020 1.00 0.00 H new ATOM 0 HE22 GLN A 275 -2.093 6.117 3.663 1.00 0.00 H new ATOM 224 N TRP A 276 2.131 3.358 0.480 1.00 0.00 N ATOM 225 CA TRP A 276 2.621 2.333 1.400 1.00 0.00 C ATOM 226 C TRP A 276 3.813 1.591 0.841 1.00 0.00 C ATOM 227 O TRP A 276 4.547 0.910 1.576 1.00 0.00 O ATOM 228 CB TRP A 276 1.476 1.324 1.698 1.00 0.00 C ATOM 229 CG TRP A 276 1.919 -0.140 1.785 1.00 0.00 C ATOM 230 CD1 TRP A 276 1.822 -1.091 0.748 1.00 0.00 C ATOM 231 CD2 TRP A 276 2.533 -0.788 2.836 1.00 0.00 C ATOM 232 NE1 TRP A 276 2.363 -2.334 1.132 1.00 0.00 N ATOM 233 CE2 TRP A 276 2.798 -2.120 2.430 1.00 0.00 C ATOM 234 CE3 TRP A 276 2.896 -0.342 4.133 1.00 0.00 C ATOM 235 CZ2 TRP A 276 3.433 -3.015 3.318 1.00 0.00 C ATOM 236 CZ3 TRP A 276 3.526 -1.244 4.991 1.00 0.00 C ATOM 237 CH2 TRP A 276 3.790 -2.561 4.591 1.00 0.00 C ATOM 0 H TRP A 276 1.361 3.055 -0.116 1.00 0.00 H new ATOM 0 HA TRP A 276 2.942 2.830 2.315 1.00 0.00 H new ATOM 0 HB2 TRP A 276 1.001 1.602 2.639 1.00 0.00 H new ATOM 0 HB3 TRP A 276 0.719 1.415 0.919 1.00 0.00 H new ATOM 0 HD1 TRP A 276 1.387 -0.891 -0.220 1.00 0.00 H new ATOM 0 HE1 TRP A 276 2.421 -3.191 0.583 1.00 0.00 H new ATOM 0 HE3 TRP A 276 2.690 0.670 4.448 1.00 0.00 H new ATOM 0 HZ2 TRP A 276 3.639 -4.032 3.019 1.00 0.00 H new ATOM 0 HZ3 TRP A 276 3.815 -0.922 5.980 1.00 0.00 H new ATOM 0 HH2 TRP A 276 4.278 -3.237 5.278 1.00 0.00 H new ATOM 248 N ALA A 277 4.020 1.669 -0.459 1.00 0.00 N ATOM 249 CA ALA A 277 5.226 1.130 -1.083 1.00 0.00 C ATOM 250 C ALA A 277 6.440 1.959 -0.735 1.00 0.00 C ATOM 251 O ALA A 277 7.569 1.453 -0.656 1.00 0.00 O ATOM 252 CB ALA A 277 4.972 1.056 -2.599 1.00 0.00 C ATOM 0 H ALA A 277 3.368 2.102 -1.112 1.00 0.00 H new ATOM 0 HA ALA A 277 5.441 0.130 -0.706 1.00 0.00 H new ATOM 0 HB1 ALA A 277 5.856 0.657 -3.097 1.00 0.00 H new ATOM 0 HB2 ALA A 277 4.120 0.405 -2.794 1.00 0.00 H new ATOM 0 HB3 ALA A 277 4.760 2.054 -2.982 1.00 0.00 H new ATOM 258 N GLY A 278 6.243 3.251 -0.549 1.00 0.00 N ATOM 259 CA GLY A 278 7.297 4.124 -0.038 1.00 0.00 C ATOM 260 C GLY A 278 7.656 3.758 1.384 1.00 0.00 C ATOM 261 O GLY A 278 8.805 3.895 1.822 1.00 0.00 O ATOM 0 H GLY A 278 5.361 3.726 -0.743 1.00 0.00 H new ATOM 0 HA2 GLY A 278 8.180 4.045 -0.672 1.00 0.00 H new ATOM 0 HA3 GLY A 278 6.967 5.162 -0.079 1.00 0.00 H new ATOM 265 N LEU A 279 6.671 3.304 2.136 1.00 0.00 N ATOM 266 CA LEU A 279 6.862 2.924 3.534 1.00 0.00 C ATOM 267 C LEU A 279 7.527 1.573 3.663 1.00 0.00 C ATOM 268 O LEU A 279 8.237 1.295 4.644 1.00 0.00 O ATOM 269 CB LEU A 279 5.499 2.941 4.288 1.00 0.00 C ATOM 270 CG LEU A 279 5.516 2.918 5.840 1.00 0.00 C ATOM 271 CD1 LEU A 279 6.563 3.873 6.438 1.00 0.00 C ATOM 272 CD2 LEU A 279 4.125 3.268 6.387 1.00 0.00 C ATOM 0 H LEU A 279 5.715 3.186 1.801 1.00 0.00 H new ATOM 0 HA LEU A 279 7.528 3.657 3.990 1.00 0.00 H new ATOM 0 HB2 LEU A 279 4.957 3.833 3.975 1.00 0.00 H new ATOM 0 HB3 LEU A 279 4.921 2.081 3.949 1.00 0.00 H new ATOM 0 HG LEU A 279 5.793 1.907 6.138 1.00 0.00 H new ATOM 0 HD11 LEU A 279 6.529 3.815 7.526 1.00 0.00 H new ATOM 0 HD12 LEU A 279 7.556 3.588 6.090 1.00 0.00 H new ATOM 0 HD13 LEU A 279 6.347 4.894 6.123 1.00 0.00 H new ATOM 0 HD21 LEU A 279 4.147 3.249 7.477 1.00 0.00 H new ATOM 0 HD22 LEU A 279 3.840 4.264 6.047 1.00 0.00 H new ATOM 0 HD23 LEU A 279 3.398 2.540 6.026 1.00 0.00 H new ATOM 284 N VAL A 280 7.305 0.698 2.701 1.00 0.00 N ATOM 285 CA VAL A 280 7.733 -0.695 2.805 1.00 0.00 C ATOM 286 C VAL A 280 9.235 -0.823 2.696 1.00 0.00 C ATOM 287 O VAL A 280 9.859 -1.669 3.352 1.00 0.00 O ATOM 288 CB VAL A 280 7.018 -1.559 1.690 1.00 0.00 C ATOM 289 CG1 VAL A 280 7.601 -1.450 0.254 1.00 0.00 C ATOM 290 CG2 VAL A 280 6.981 -3.075 2.001 1.00 0.00 C ATOM 0 H VAL A 280 6.827 0.924 1.829 1.00 0.00 H new ATOM 0 HA VAL A 280 7.445 -1.068 3.788 1.00 0.00 H new ATOM 0 HB VAL A 280 6.025 -1.110 1.713 1.00 0.00 H new ATOM 0 HG11 VAL A 280 7.028 -2.087 -0.420 1.00 0.00 H new ATOM 0 HG12 VAL A 280 7.542 -0.416 -0.085 1.00 0.00 H new ATOM 0 HG13 VAL A 280 8.643 -1.771 0.259 1.00 0.00 H new ATOM 0 HG21 VAL A 280 6.475 -3.600 1.191 1.00 0.00 H new ATOM 0 HG22 VAL A 280 7.999 -3.452 2.098 1.00 0.00 H new ATOM 0 HG23 VAL A 280 6.442 -3.242 2.934 1.00 0.00 H new ATOM 300 N GLU A 281 9.841 -0.015 1.847 1.00 0.00 N ATOM 301 CA GLU A 281 11.264 -0.141 1.542 1.00 0.00 C ATOM 302 C GLU A 281 12.112 0.353 2.690 1.00 0.00 C ATOM 303 O GLU A 281 13.239 -0.106 2.914 1.00 0.00 O ATOM 304 CB GLU A 281 11.563 0.652 0.239 1.00 0.00 C ATOM 305 CG GLU A 281 13.009 1.224 0.061 1.00 0.00 C ATOM 306 CD GLU A 281 13.614 1.247 -1.345 1.00 0.00 C ATOM 307 OE1 GLU A 281 12.938 1.178 -2.362 1.00 0.00 O ATOM 308 OE2 GLU A 281 14.972 1.352 -1.355 1.00 0.00 O ATOM 0 H GLU A 281 9.371 0.742 1.351 1.00 0.00 H new ATOM 0 HA GLU A 281 11.515 -1.191 1.393 1.00 0.00 H new ATOM 0 HB2 GLU A 281 11.352 -0.000 -0.608 1.00 0.00 H new ATOM 0 HB3 GLU A 281 10.862 1.485 0.183 1.00 0.00 H new ATOM 0 HG2 GLU A 281 13.011 2.246 0.440 1.00 0.00 H new ATOM 0 HG3 GLU A 281 13.676 0.646 0.700 1.00 0.00 H new ATOM 315 N LYS A 282 11.587 1.308 3.437 1.00 0.00 N ATOM 316 CA LYS A 282 12.247 1.798 4.643 1.00 0.00 C ATOM 317 C LYS A 282 12.257 0.740 5.722 1.00 0.00 C ATOM 318 O LYS A 282 13.245 0.554 6.444 1.00 0.00 O ATOM 319 CB LYS A 282 11.536 3.088 5.138 1.00 0.00 C ATOM 320 CG LYS A 282 12.369 3.901 6.160 1.00 0.00 C ATOM 321 CD LYS A 282 12.219 3.450 7.616 1.00 0.00 C ATOM 322 CE LYS A 282 10.999 4.144 8.237 1.00 0.00 C ATOM 323 NZ LYS A 282 11.451 5.104 9.260 1.00 0.00 N ATOM 0 H LYS A 282 10.699 1.765 3.231 1.00 0.00 H new ATOM 0 HA LYS A 282 13.284 2.034 4.406 1.00 0.00 H new ATOM 0 HB2 LYS A 282 11.311 3.721 4.280 1.00 0.00 H new ATOM 0 HB3 LYS A 282 10.583 2.816 5.592 1.00 0.00 H new ATOM 0 HG2 LYS A 282 13.421 3.838 5.882 1.00 0.00 H new ATOM 0 HG3 LYS A 282 12.082 4.950 6.088 1.00 0.00 H new ATOM 0 HD2 LYS A 282 12.100 2.368 7.663 1.00 0.00 H new ATOM 0 HD3 LYS A 282 13.119 3.696 8.180 1.00 0.00 H new ATOM 0 HE2 LYS A 282 10.428 4.660 7.465 1.00 0.00 H new ATOM 0 HE3 LYS A 282 10.335 3.405 8.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 282 10.626 5.576 9.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 282 11.978 4.599 10.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 282 12.069 5.816 8.820 1.00 0.00 H new ATOM 337 N VAL A 283 11.159 0.018 5.841 1.00 0.00 N ATOM 338 CA VAL A 283 11.010 -1.014 6.865 1.00 0.00 C ATOM 339 C VAL A 283 11.747 -2.285 6.510 1.00 0.00 C ATOM 340 O VAL A 283 11.957 -3.164 7.364 1.00 0.00 O ATOM 341 CB VAL A 283 9.472 -1.311 7.094 1.00 0.00 C ATOM 342 CG1 VAL A 283 9.125 -2.663 7.776 1.00 0.00 C ATOM 343 CG2 VAL A 283 8.744 -0.231 7.930 1.00 0.00 C ATOM 0 H VAL A 283 10.345 0.125 5.236 1.00 0.00 H new ATOM 0 HA VAL A 283 11.455 -0.638 7.786 1.00 0.00 H new ATOM 0 HB VAL A 283 9.128 -1.330 6.060 1.00 0.00 H new ATOM 0 HG11 VAL A 283 8.043 -2.752 7.878 1.00 0.00 H new ATOM 0 HG12 VAL A 283 9.501 -3.485 7.167 1.00 0.00 H new ATOM 0 HG13 VAL A 283 9.587 -2.702 8.762 1.00 0.00 H new ATOM 0 HG21 VAL A 283 7.695 -0.505 8.044 1.00 0.00 H new ATOM 0 HG22 VAL A 283 9.209 -0.158 8.913 1.00 0.00 H new ATOM 0 HG23 VAL A 283 8.815 0.731 7.423 1.00 0.00 H new ATOM 353 N GLN A 284 12.131 -2.437 5.257 1.00 0.00 N ATOM 354 CA GLN A 284 12.954 -3.565 4.828 1.00 0.00 C ATOM 355 C GLN A 284 14.381 -3.418 5.303 1.00 0.00 C ATOM 356 O GLN A 284 15.119 -4.405 5.446 1.00 0.00 O ATOM 357 CB GLN A 284 12.893 -3.662 3.287 1.00 0.00 C ATOM 358 CG GLN A 284 12.212 -4.944 2.703 1.00 0.00 C ATOM 359 CD GLN A 284 11.951 -5.035 1.195 1.00 0.00 C ATOM 360 OE1 GLN A 284 12.168 -4.085 0.459 1.00 0.00 O ATOM 361 NE2 GLN A 284 11.472 -6.138 0.680 1.00 0.00 N ATOM 0 H GLN A 284 11.886 -1.790 4.508 1.00 0.00 H new ATOM 0 HA GLN A 284 12.566 -4.482 5.271 1.00 0.00 H new ATOM 0 HB2 GLN A 284 12.361 -2.789 2.909 1.00 0.00 H new ATOM 0 HB3 GLN A 284 13.910 -3.607 2.900 1.00 0.00 H new ATOM 0 HG2 GLN A 284 12.830 -5.798 2.981 1.00 0.00 H new ATOM 0 HG3 GLN A 284 11.254 -5.065 3.209 1.00 0.00 H new ATOM 0 HE21 GLN A 284 11.285 -6.942 1.280 1.00 0.00 H new ATOM 0 HE22 GLN A 284 11.286 -6.195 -0.321 1.00 0.00 H new ATOM 370 N ALA A 285 14.809 -2.191 5.530 1.00 0.00 N ATOM 371 CA ALA A 285 16.138 -1.926 6.080 1.00 0.00 C ATOM 372 C ALA A 285 16.093 -1.745 7.579 1.00 0.00 C ATOM 373 O ALA A 285 16.947 -1.067 8.172 1.00 0.00 O ATOM 374 CB ALA A 285 16.700 -0.693 5.351 1.00 0.00 C ATOM 0 H ALA A 285 14.257 -1.354 5.343 1.00 0.00 H new ATOM 0 HA ALA A 285 16.798 -2.778 5.916 1.00 0.00 H new ATOM 0 HB1 ALA A 285 17.694 -0.464 5.736 1.00 0.00 H new ATOM 0 HB2 ALA A 285 16.763 -0.900 4.283 1.00 0.00 H new ATOM 0 HB3 ALA A 285 16.041 0.159 5.517 1.00 0.00 H new ATOM 380 N ALA A 286 15.126 -2.364 8.229 1.00 0.00 N ATOM 381 CA ALA A 286 14.971 -2.255 9.678 1.00 0.00 C ATOM 382 C ALA A 286 15.858 -3.246 10.393 1.00 0.00 C ATOM 383 O ALA A 286 15.649 -4.498 10.339 1.00 0.00 O ATOM 384 CB ALA A 286 13.479 -2.447 10.002 1.00 0.00 C ATOM 385 OXT ALA A 286 16.829 -2.754 11.047 1.00 0.00 O ATOM 0 H ALA A 286 14.427 -2.954 7.777 1.00 0.00 H new ATOM 0 HA ALA A 286 15.288 -1.273 10.031 1.00 0.00 H new ATOM 0 HB1 ALA A 286 13.328 -2.371 11.079 1.00 0.00 H new ATOM 0 HB2 ALA A 286 12.895 -1.676 9.499 1.00 0.00 H new ATOM 0 HB3 ALA A 286 13.156 -3.430 9.658 1.00 0.00 H new TER 391 ALA A 286