USER MOD reduce.3.24.130724 H: found=0, std=0, add=188, rem=0, adj=2 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 19:sc= 0.27 USER MOD Single : A 272 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 273 GLN : amide:sc= -1.16 K(o=-1.2,f=-2.6!) USER MOD Single : A 275 GLN : amide:sc= -0.075 X(o=-0.075,f=0) USER MOD Single : A 282 LYS NZ :NH3+ -123:sc= -1.31 (180deg=-4.04!) USER MOD Single : A 284 GLN : amide:sc= -0.502 X(o=-0.5,f=-0.5) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 263 -18.272 -8.022 -2.883 1.00 0.00 N ATOM 2 CA SER A 263 -16.988 -7.688 -2.273 1.00 0.00 C ATOM 3 C SER A 263 -16.581 -6.273 -2.614 1.00 0.00 C ATOM 4 O SER A 263 -17.070 -5.669 -3.577 1.00 0.00 O ATOM 5 CB SER A 263 -15.900 -8.710 -2.684 1.00 0.00 C ATOM 6 OG SER A 263 -16.386 -10.056 -2.737 1.00 0.00 O ATOM 0 HA SER A 263 -17.098 -7.745 -1.190 1.00 0.00 H new ATOM 0 HB2 SER A 263 -15.502 -8.435 -3.661 1.00 0.00 H new ATOM 0 HB3 SER A 263 -15.073 -8.656 -1.976 1.00 0.00 H new ATOM 0 HG SER A 263 -17.364 -10.048 -2.803 1.00 0.00 H new ATOM 14 N TRP A 264 -15.671 -5.720 -1.833 1.00 0.00 N ATOM 15 CA TRP A 264 -15.126 -4.389 -2.087 1.00 0.00 C ATOM 16 C TRP A 264 -13.683 -4.309 -1.635 1.00 0.00 C ATOM 17 O TRP A 264 -13.246 -5.072 -0.767 1.00 0.00 O ATOM 18 CB TRP A 264 -15.985 -3.337 -1.332 1.00 0.00 C ATOM 19 CG TRP A 264 -15.644 -3.158 0.150 1.00 0.00 C ATOM 20 CD1 TRP A 264 -15.987 -4.048 1.189 1.00 0.00 C ATOM 21 CD2 TRP A 264 -15.020 -2.089 0.760 1.00 0.00 C ATOM 22 NE1 TRP A 264 -15.582 -3.560 2.446 1.00 0.00 N ATOM 23 CE2 TRP A 264 -14.986 -2.343 2.154 1.00 0.00 C ATOM 24 CE3 TRP A 264 -14.466 -0.895 0.230 1.00 0.00 C ATOM 25 CZ2 TRP A 264 -14.384 -1.411 3.027 1.00 0.00 C ATOM 26 CZ3 TRP A 264 -13.847 -0.006 1.108 1.00 0.00 C ATOM 27 CH2 TRP A 264 -13.820 -0.251 2.488 1.00 0.00 C ATOM 0 H TRP A 264 -15.286 -6.176 -1.005 1.00 0.00 H new ATOM 0 HA TRP A 264 -15.156 -4.186 -3.158 1.00 0.00 H new ATOM 0 HB2 TRP A 264 -15.875 -2.375 -1.832 1.00 0.00 H new ATOM 0 HB3 TRP A 264 -17.034 -3.621 -1.415 1.00 0.00 H new ATOM 0 HD1 TRP A 264 -16.497 -4.988 1.039 1.00 0.00 H new ATOM 0 HE1 TRP A 264 -15.700 -4.000 3.359 1.00 0.00 H new ATOM 0 HE3 TRP A 264 -14.522 -0.680 -0.827 1.00 0.00 H new ATOM 0 HZ2 TRP A 264 -14.360 -1.591 4.092 1.00 0.00 H new ATOM 0 HZ3 TRP A 264 -13.380 0.887 0.718 1.00 0.00 H new ATOM 0 HH2 TRP A 264 -13.356 0.469 3.146 1.00 0.00 H new ATOM 38 N PHE A 265 -12.918 -3.422 -2.236 1.00 0.00 N ATOM 39 CA PHE A 265 -11.542 -3.065 -1.891 1.00 0.00 C ATOM 40 C PHE A 265 -10.554 -3.539 -2.939 1.00 0.00 C ATOM 41 O PHE A 265 -9.329 -3.486 -2.717 1.00 0.00 O ATOM 42 CB PHE A 265 -11.093 -3.637 -0.512 1.00 0.00 C ATOM 43 CG PHE A 265 -10.575 -5.081 -0.418 1.00 0.00 C ATOM 44 CD1 PHE A 265 -10.567 -5.936 -1.522 1.00 0.00 C ATOM 45 CD2 PHE A 265 -10.163 -5.574 0.829 1.00 0.00 C ATOM 46 CE1 PHE A 265 -10.170 -7.263 -1.383 1.00 0.00 C ATOM 47 CE2 PHE A 265 -9.787 -6.905 0.973 1.00 0.00 C ATOM 48 CZ PHE A 265 -9.786 -7.749 -0.135 1.00 0.00 C ATOM 0 H PHE A 265 -13.258 -2.889 -3.036 1.00 0.00 H new ATOM 0 HA PHE A 265 -11.541 -1.976 -1.841 1.00 0.00 H new ATOM 0 HB2 PHE A 265 -10.309 -2.984 -0.129 1.00 0.00 H new ATOM 0 HB3 PHE A 265 -11.941 -3.550 0.168 1.00 0.00 H new ATOM 0 HD1 PHE A 265 -10.871 -5.565 -2.490 1.00 0.00 H new ATOM 0 HD2 PHE A 265 -10.138 -4.915 1.684 1.00 0.00 H new ATOM 0 HE1 PHE A 265 -10.160 -7.916 -2.243 1.00 0.00 H new ATOM 0 HE2 PHE A 265 -9.496 -7.283 1.942 1.00 0.00 H new ATOM 0 HZ PHE A 265 -9.487 -8.781 -0.027 1.00 0.00 H new ATOM 58 N GLU A 266 -11.025 -4.005 -4.078 1.00 0.00 N ATOM 59 CA GLU A 266 -10.152 -4.325 -5.205 1.00 0.00 C ATOM 60 C GLU A 266 -9.230 -3.171 -5.516 1.00 0.00 C ATOM 61 O GLU A 266 -8.009 -3.294 -5.496 1.00 0.00 O ATOM 62 CB GLU A 266 -11.034 -4.692 -6.432 1.00 0.00 C ATOM 63 CG GLU A 266 -12.184 -5.728 -6.201 1.00 0.00 C ATOM 64 CD GLU A 266 -11.826 -7.216 -6.163 1.00 0.00 C ATOM 65 OE1 GLU A 266 -11.350 -7.811 -7.121 1.00 0.00 O ATOM 66 OE2 GLU A 266 -12.088 -7.814 -4.968 1.00 0.00 O ATOM 0 H GLU A 266 -12.015 -4.174 -4.255 1.00 0.00 H new ATOM 0 HA GLU A 266 -9.521 -5.177 -4.950 1.00 0.00 H new ATOM 0 HB2 GLU A 266 -11.479 -3.774 -6.815 1.00 0.00 H new ATOM 0 HB3 GLU A 266 -10.381 -5.081 -7.213 1.00 0.00 H new ATOM 0 HG2 GLU A 266 -12.670 -5.479 -5.258 1.00 0.00 H new ATOM 0 HG3 GLU A 266 -12.924 -5.584 -6.989 1.00 0.00 H new ATOM 73 N PRO A 267 -9.812 -2.023 -5.810 1.00 0.00 N ATOM 74 CA PRO A 267 -9.105 -0.716 -6.169 1.00 0.00 C ATOM 75 C PRO A 267 -8.594 0.107 -5.005 1.00 0.00 C ATOM 76 O PRO A 267 -7.781 1.028 -5.187 1.00 0.00 O ATOM 77 CB PRO A 267 -10.140 0.113 -6.921 1.00 0.00 C ATOM 78 CG PRO A 267 -11.422 -0.265 -6.163 1.00 0.00 C ATOM 79 CD PRO A 267 -11.269 -1.758 -5.855 1.00 0.00 C ATOM 0 HA PRO A 267 -8.211 -0.974 -6.736 1.00 0.00 H new ATOM 0 HB2 PRO A 267 -9.930 1.181 -6.869 1.00 0.00 H new ATOM 0 HB3 PRO A 267 -10.192 -0.151 -7.977 1.00 0.00 H new ATOM 0 HG2 PRO A 267 -11.527 0.319 -5.249 1.00 0.00 H new ATOM 0 HG3 PRO A 267 -12.309 -0.075 -6.767 1.00 0.00 H new ATOM 0 HD2 PRO A 267 -11.740 -2.010 -4.905 1.00 0.00 H new ATOM 0 HD3 PRO A 267 -11.752 -2.365 -6.621 1.00 0.00 H new ATOM 87 N LEU A 268 -9.057 -0.173 -3.801 1.00 0.00 N ATOM 88 CA LEU A 268 -8.602 0.530 -2.606 1.00 0.00 C ATOM 89 C LEU A 268 -7.157 0.210 -2.303 1.00 0.00 C ATOM 90 O LEU A 268 -6.394 1.054 -1.812 1.00 0.00 O ATOM 91 CB LEU A 268 -9.513 0.186 -1.392 1.00 0.00 C ATOM 92 CG LEU A 268 -9.689 1.258 -0.282 1.00 0.00 C ATOM 93 CD1 LEU A 268 -10.977 0.991 0.509 1.00 0.00 C ATOM 94 CD2 LEU A 268 -8.492 1.318 0.681 1.00 0.00 C ATOM 0 H LEU A 268 -9.758 -0.892 -3.619 1.00 0.00 H new ATOM 0 HA LEU A 268 -8.671 1.601 -2.795 1.00 0.00 H new ATOM 0 HB2 LEU A 268 -10.502 -0.061 -1.777 1.00 0.00 H new ATOM 0 HB3 LEU A 268 -9.119 -0.716 -0.925 1.00 0.00 H new ATOM 0 HG LEU A 268 -9.751 2.224 -0.782 1.00 0.00 H new ATOM 0 HD11 LEU A 268 -11.091 1.748 1.285 1.00 0.00 H new ATOM 0 HD12 LEU A 268 -11.833 1.030 -0.165 1.00 0.00 H new ATOM 0 HD13 LEU A 268 -10.923 0.005 0.970 1.00 0.00 H new ATOM 0 HD21 LEU A 268 -8.670 2.084 1.435 1.00 0.00 H new ATOM 0 HD22 LEU A 268 -8.368 0.351 1.168 1.00 0.00 H new ATOM 0 HD23 LEU A 268 -7.588 1.561 0.123 1.00 0.00 H new ATOM 106 N VAL A 269 -6.758 -1.022 -2.560 1.00 0.00 N ATOM 107 CA VAL A 269 -5.419 -1.491 -2.212 1.00 0.00 C ATOM 108 C VAL A 269 -4.401 -1.038 -3.232 1.00 0.00 C ATOM 109 O VAL A 269 -3.210 -0.873 -2.932 1.00 0.00 O ATOM 110 CB VAL A 269 -5.420 -3.067 -2.083 1.00 0.00 C ATOM 111 CG1 VAL A 269 -4.136 -3.798 -2.565 1.00 0.00 C ATOM 112 CG2 VAL A 269 -5.663 -3.578 -0.642 1.00 0.00 C ATOM 0 H VAL A 269 -7.343 -1.725 -3.012 1.00 0.00 H new ATOM 0 HA VAL A 269 -5.138 -1.057 -1.252 1.00 0.00 H new ATOM 0 HB VAL A 269 -6.248 -3.310 -2.749 1.00 0.00 H new ATOM 0 HG11 VAL A 269 -4.256 -4.873 -2.427 1.00 0.00 H new ATOM 0 HG12 VAL A 269 -3.970 -3.584 -3.621 1.00 0.00 H new ATOM 0 HG13 VAL A 269 -3.280 -3.451 -1.986 1.00 0.00 H new ATOM 0 HG21 VAL A 269 -5.649 -4.668 -0.635 1.00 0.00 H new ATOM 0 HG22 VAL A 269 -4.879 -3.201 0.015 1.00 0.00 H new ATOM 0 HG23 VAL A 269 -6.632 -3.225 -0.289 1.00 0.00 H new ATOM 122 N GLU A 270 -4.840 -0.858 -4.464 1.00 0.00 N ATOM 123 CA GLU A 270 -3.980 -0.326 -5.519 1.00 0.00 C ATOM 124 C GLU A 270 -3.489 1.060 -5.170 1.00 0.00 C ATOM 125 O GLU A 270 -2.325 1.414 -5.396 1.00 0.00 O ATOM 126 CB GLU A 270 -4.775 -0.321 -6.855 1.00 0.00 C ATOM 127 CG GLU A 270 -5.295 1.059 -7.377 1.00 0.00 C ATOM 128 CD GLU A 270 -5.704 1.172 -8.848 1.00 0.00 C ATOM 129 OE1 GLU A 270 -4.673 1.479 -9.682 1.00 0.00 O ATOM 130 OE2 GLU A 270 -6.853 1.000 -9.234 1.00 0.00 O ATOM 0 H GLU A 270 -5.791 -1.072 -4.765 1.00 0.00 H new ATOM 0 HA GLU A 270 -3.099 -0.959 -5.625 1.00 0.00 H new ATOM 0 HB2 GLU A 270 -4.140 -0.756 -7.627 1.00 0.00 H new ATOM 0 HB3 GLU A 270 -5.633 -0.983 -6.739 1.00 0.00 H new ATOM 0 HG2 GLU A 270 -6.155 1.341 -6.770 1.00 0.00 H new ATOM 0 HG3 GLU A 270 -4.517 1.799 -7.191 1.00 0.00 H new ATOM 137 N ASP A 271 -4.374 1.876 -4.628 1.00 0.00 N ATOM 138 CA ASP A 271 -3.994 3.180 -4.090 1.00 0.00 C ATOM 139 C ASP A 271 -3.004 3.032 -2.958 1.00 0.00 C ATOM 140 O ASP A 271 -2.108 3.864 -2.765 1.00 0.00 O ATOM 141 CB ASP A 271 -5.255 3.972 -3.653 1.00 0.00 C ATOM 142 CG ASP A 271 -5.165 5.503 -3.727 1.00 0.00 C ATOM 143 OD1 ASP A 271 -4.103 6.109 -3.729 1.00 0.00 O ATOM 144 OD2 ASP A 271 -6.392 6.105 -3.766 1.00 0.00 O ATOM 0 H ASP A 271 -5.368 1.662 -4.546 1.00 0.00 H new ATOM 0 HA ASP A 271 -3.499 3.750 -4.876 1.00 0.00 H new ATOM 0 HB2 ASP A 271 -6.092 3.650 -4.273 1.00 0.00 H new ATOM 0 HB3 ASP A 271 -5.493 3.694 -2.626 1.00 0.00 H new ATOM 149 N MET A 272 -3.166 1.985 -2.171 1.00 0.00 N ATOM 150 CA MET A 272 -2.378 1.796 -0.956 1.00 0.00 C ATOM 151 C MET A 272 -0.950 1.404 -1.261 1.00 0.00 C ATOM 152 O MET A 272 -0.048 1.565 -0.422 1.00 0.00 O ATOM 153 CB MET A 272 -3.058 0.728 -0.052 1.00 0.00 C ATOM 154 CG MET A 272 -2.633 0.730 1.432 1.00 0.00 C ATOM 155 SD MET A 272 -3.125 2.278 2.208 1.00 0.00 S ATOM 156 CE MET A 272 -2.359 2.025 3.816 1.00 0.00 C ATOM 0 H MET A 272 -3.842 1.242 -2.350 1.00 0.00 H new ATOM 0 HA MET A 272 -2.340 2.749 -0.428 1.00 0.00 H new ATOM 0 HB2 MET A 272 -4.137 0.873 -0.101 1.00 0.00 H new ATOM 0 HB3 MET A 272 -2.850 -0.258 -0.468 1.00 0.00 H new ATOM 0 HG2 MET A 272 -3.093 -0.110 1.952 1.00 0.00 H new ATOM 0 HG3 MET A 272 -1.554 0.601 1.510 1.00 0.00 H new ATOM 0 HE1 MET A 272 -2.553 2.889 4.452 1.00 0.00 H new ATOM 0 HE2 MET A 272 -2.775 1.131 4.281 1.00 0.00 H new ATOM 0 HE3 MET A 272 -1.283 1.901 3.691 1.00 0.00 H new ATOM 166 N GLN A 273 -0.710 0.858 -2.437 1.00 0.00 N ATOM 167 CA GLN A 273 0.629 0.428 -2.836 1.00 0.00 C ATOM 168 C GLN A 273 1.332 1.484 -3.657 1.00 0.00 C ATOM 169 O GLN A 273 2.127 1.184 -4.559 1.00 0.00 O ATOM 170 CB GLN A 273 0.507 -0.891 -3.631 1.00 0.00 C ATOM 171 CG GLN A 273 1.613 -1.964 -3.353 1.00 0.00 C ATOM 172 CD GLN A 273 3.001 -1.786 -3.979 1.00 0.00 C ATOM 173 OE1 GLN A 273 3.886 -1.184 -3.391 1.00 0.00 O ATOM 174 NE2 GLN A 273 3.256 -2.292 -5.158 1.00 0.00 N ATOM 0 H GLN A 273 -1.428 0.698 -3.144 1.00 0.00 H new ATOM 0 HA GLN A 273 1.232 0.269 -1.942 1.00 0.00 H new ATOM 0 HB2 GLN A 273 -0.465 -1.335 -3.414 1.00 0.00 H new ATOM 0 HB3 GLN A 273 0.518 -0.653 -4.695 1.00 0.00 H new ATOM 0 HG2 GLN A 273 1.746 -2.026 -2.273 1.00 0.00 H new ATOM 0 HG3 GLN A 273 1.225 -2.928 -3.683 1.00 0.00 H new ATOM 0 HE21 GLN A 273 2.529 -2.798 -5.664 1.00 0.00 H new ATOM 0 HE22 GLN A 273 4.182 -2.181 -5.571 1.00 0.00 H new ATOM 183 N ARG A 274 1.033 2.740 -3.385 1.00 0.00 N ATOM 184 CA ARG A 274 1.766 3.862 -3.968 1.00 0.00 C ATOM 185 C ARG A 274 2.342 4.750 -2.889 1.00 0.00 C ATOM 186 O ARG A 274 3.489 5.210 -2.971 1.00 0.00 O ATOM 187 CB ARG A 274 0.822 4.648 -4.920 1.00 0.00 C ATOM 188 CG ARG A 274 0.233 5.972 -4.368 1.00 0.00 C ATOM 189 CD ARG A 274 -0.155 6.950 -5.490 1.00 0.00 C ATOM 190 NE ARG A 274 1.068 7.676 -5.915 1.00 0.00 N ATOM 191 CZ ARG A 274 1.285 8.975 -5.761 1.00 0.00 C ATOM 192 NH1 ARG A 274 0.441 9.800 -5.215 1.00 0.00 N ATOM 193 NH2 ARG A 274 2.406 9.444 -6.182 1.00 0.00 N ATOM 0 H ARG A 274 0.279 3.017 -2.757 1.00 0.00 H new ATOM 0 HA ARG A 274 2.609 3.485 -4.547 1.00 0.00 H new ATOM 0 HB2 ARG A 274 1.370 4.873 -5.835 1.00 0.00 H new ATOM 0 HB3 ARG A 274 -0.006 3.995 -5.196 1.00 0.00 H new ATOM 0 HG2 ARG A 274 -0.645 5.751 -3.761 1.00 0.00 H new ATOM 0 HG3 ARG A 274 0.963 6.446 -3.712 1.00 0.00 H new ATOM 0 HD2 ARG A 274 -0.589 6.410 -6.332 1.00 0.00 H new ATOM 0 HD3 ARG A 274 -0.911 7.652 -5.138 1.00 0.00 H new ATOM 0 HE ARG A 274 1.803 7.130 -6.363 1.00 0.00 H new ATOM 0 HH11 ARG A 274 -0.457 9.458 -4.872 1.00 0.00 H new ATOM 0 HH12 ARG A 274 0.677 10.789 -5.130 1.00 0.00 H new ATOM 0 HH21 ARG A 274 3.089 8.822 -6.615 1.00 0.00 H new ATOM 0 HH22 ARG A 274 2.613 10.438 -6.083 1.00 0.00 H new ATOM 207 N GLN A 275 1.549 5.032 -1.873 1.00 0.00 N ATOM 208 CA GLN A 275 1.999 5.838 -0.741 1.00 0.00 C ATOM 209 C GLN A 275 2.667 4.977 0.305 1.00 0.00 C ATOM 210 O GLN A 275 3.659 5.366 0.934 1.00 0.00 O ATOM 211 CB GLN A 275 0.784 6.585 -0.148 1.00 0.00 C ATOM 212 CG GLN A 275 0.778 6.776 1.404 1.00 0.00 C ATOM 213 CD GLN A 275 -0.349 7.589 2.053 1.00 0.00 C ATOM 214 OE1 GLN A 275 -0.713 7.363 3.196 1.00 0.00 O ATOM 215 NE2 GLN A 275 -0.953 8.528 1.370 1.00 0.00 N ATOM 0 H GLN A 275 0.582 4.715 -1.803 1.00 0.00 H new ATOM 0 HA GLN A 275 2.739 6.562 -1.083 1.00 0.00 H new ATOM 0 HB2 GLN A 275 0.726 7.569 -0.614 1.00 0.00 H new ATOM 0 HB3 GLN A 275 -0.120 6.045 -0.430 1.00 0.00 H new ATOM 0 HG2 GLN A 275 0.770 5.784 1.857 1.00 0.00 H new ATOM 0 HG3 GLN A 275 1.722 7.245 1.681 1.00 0.00 H new ATOM 0 HE21 GLN A 275 -0.662 8.730 0.414 1.00 0.00 H new ATOM 0 HE22 GLN A 275 -1.715 9.057 1.794 1.00 0.00 H new ATOM 224 N TRP A 276 2.136 3.786 0.506 1.00 0.00 N ATOM 225 CA TRP A 276 2.659 2.855 1.503 1.00 0.00 C ATOM 226 C TRP A 276 3.888 2.129 1.003 1.00 0.00 C ATOM 227 O TRP A 276 4.673 1.577 1.790 1.00 0.00 O ATOM 228 CB TRP A 276 1.553 1.821 1.857 1.00 0.00 C ATOM 229 CG TRP A 276 2.063 0.402 2.122 1.00 0.00 C ATOM 230 CD1 TRP A 276 1.939 -0.695 1.245 1.00 0.00 C ATOM 231 CD2 TRP A 276 2.720 -0.077 3.236 1.00 0.00 C ATOM 232 NE1 TRP A 276 2.511 -1.862 1.789 1.00 0.00 N ATOM 233 CE2 TRP A 276 2.988 -1.452 3.024 1.00 0.00 C ATOM 234 CE3 TRP A 276 3.119 0.559 4.440 1.00 0.00 C ATOM 235 CZ2 TRP A 276 3.665 -2.200 4.012 1.00 0.00 C ATOM 236 CZ3 TRP A 276 3.789 -0.199 5.400 1.00 0.00 C ATOM 237 CH2 TRP A 276 4.058 -1.559 5.190 1.00 0.00 C ATOM 0 H TRP A 276 1.332 3.432 -0.013 1.00 0.00 H new ATOM 0 HA TRP A 276 2.948 3.426 2.386 1.00 0.00 H new ATOM 0 HB2 TRP A 276 1.018 2.170 2.740 1.00 0.00 H new ATOM 0 HB3 TRP A 276 0.832 1.786 1.040 1.00 0.00 H new ATOM 0 HD1 TRP A 276 1.464 -0.647 0.276 1.00 0.00 H new ATOM 0 HE1 TRP A 276 2.562 -2.791 1.372 1.00 0.00 H new ATOM 0 HE3 TRP A 276 2.909 1.605 4.609 1.00 0.00 H new ATOM 0 HZ2 TRP A 276 3.875 -3.248 3.860 1.00 0.00 H new ATOM 0 HZ3 TRP A 276 4.106 0.269 6.320 1.00 0.00 H new ATOM 0 HH2 TRP A 276 4.578 -2.121 5.952 1.00 0.00 H new ATOM 248 N ALA A 277 4.068 2.079 -0.303 1.00 0.00 N ATOM 249 CA ALA A 277 5.284 1.526 -0.895 1.00 0.00 C ATOM 250 C ALA A 277 6.505 2.314 -0.476 1.00 0.00 C ATOM 251 O ALA A 277 7.588 1.757 -0.250 1.00 0.00 O ATOM 252 CB ALA A 277 5.095 1.496 -2.422 1.00 0.00 C ATOM 0 H ALA A 277 3.386 2.416 -0.983 1.00 0.00 H new ATOM 0 HA ALA A 277 5.454 0.511 -0.537 1.00 0.00 H new ATOM 0 HB1 ALA A 277 5.990 1.087 -2.891 1.00 0.00 H new ATOM 0 HB2 ALA A 277 4.237 0.871 -2.670 1.00 0.00 H new ATOM 0 HB3 ALA A 277 4.924 2.509 -2.787 1.00 0.00 H new ATOM 258 N GLY A 278 6.363 3.624 -0.395 1.00 0.00 N ATOM 259 CA GLY A 278 7.465 4.496 0.006 1.00 0.00 C ATOM 260 C GLY A 278 7.834 4.263 1.453 1.00 0.00 C ATOM 261 O GLY A 278 9.006 4.320 1.846 1.00 0.00 O ATOM 0 H GLY A 278 5.493 4.115 -0.602 1.00 0.00 H new ATOM 0 HA2 GLY A 278 8.331 4.311 -0.629 1.00 0.00 H new ATOM 0 HA3 GLY A 278 7.181 5.538 -0.138 1.00 0.00 H new ATOM 265 N LEU A 279 6.832 4.025 2.278 1.00 0.00 N ATOM 266 CA LEU A 279 7.044 3.606 3.661 1.00 0.00 C ATOM 267 C LEU A 279 7.750 2.272 3.731 1.00 0.00 C ATOM 268 O LEU A 279 8.523 1.995 4.660 1.00 0.00 O ATOM 269 CB LEU A 279 5.690 3.556 4.426 1.00 0.00 C ATOM 270 CG LEU A 279 5.721 3.303 5.957 1.00 0.00 C ATOM 271 CD1 LEU A 279 6.753 4.224 6.623 1.00 0.00 C ATOM 272 CD2 LEU A 279 4.347 3.499 6.620 1.00 0.00 C ATOM 0 H LEU A 279 5.850 4.115 2.015 1.00 0.00 H new ATOM 0 HA LEU A 279 7.687 4.343 4.141 1.00 0.00 H new ATOM 0 HB2 LEU A 279 5.176 4.502 4.255 1.00 0.00 H new ATOM 0 HB3 LEU A 279 5.080 2.775 3.972 1.00 0.00 H new ATOM 0 HG LEU A 279 6.003 2.260 6.099 1.00 0.00 H new ATOM 0 HD11 LEU A 279 6.767 4.038 7.697 1.00 0.00 H new ATOM 0 HD12 LEU A 279 7.741 4.024 6.208 1.00 0.00 H new ATOM 0 HD13 LEU A 279 6.485 5.264 6.438 1.00 0.00 H new ATOM 0 HD21 LEU A 279 4.429 3.309 7.690 1.00 0.00 H new ATOM 0 HD22 LEU A 279 4.008 4.522 6.458 1.00 0.00 H new ATOM 0 HD23 LEU A 279 3.629 2.805 6.182 1.00 0.00 H new ATOM 284 N VAL A 280 7.478 1.407 2.772 1.00 0.00 N ATOM 285 CA VAL A 280 7.946 0.023 2.813 1.00 0.00 C ATOM 286 C VAL A 280 9.416 -0.077 2.478 1.00 0.00 C ATOM 287 O VAL A 280 10.094 -1.052 2.832 1.00 0.00 O ATOM 288 CB VAL A 280 7.088 -0.858 1.819 1.00 0.00 C ATOM 289 CG1 VAL A 280 7.842 -1.261 0.529 1.00 0.00 C ATOM 290 CG2 VAL A 280 6.517 -2.185 2.391 1.00 0.00 C ATOM 0 H VAL A 280 6.929 1.637 1.943 1.00 0.00 H new ATOM 0 HA VAL A 280 7.819 -0.351 3.829 1.00 0.00 H new ATOM 0 HB VAL A 280 6.268 -0.168 1.617 1.00 0.00 H new ATOM 0 HG11 VAL A 280 7.188 -1.863 -0.102 1.00 0.00 H new ATOM 0 HG12 VAL A 280 8.142 -0.364 -0.012 1.00 0.00 H new ATOM 0 HG13 VAL A 280 8.728 -1.840 0.791 1.00 0.00 H new ATOM 0 HG21 VAL A 280 5.948 -2.700 1.617 1.00 0.00 H new ATOM 0 HG22 VAL A 280 7.338 -2.821 2.722 1.00 0.00 H new ATOM 0 HG23 VAL A 280 5.864 -1.966 3.236 1.00 0.00 H new ATOM 300 N GLU A 281 9.933 0.905 1.764 1.00 0.00 N ATOM 301 CA GLU A 281 11.370 1.007 1.520 1.00 0.00 C ATOM 302 C GLU A 281 12.136 1.128 2.817 1.00 0.00 C ATOM 303 O GLU A 281 13.295 0.707 2.929 1.00 0.00 O ATOM 304 CB GLU A 281 11.633 2.229 0.596 1.00 0.00 C ATOM 305 CG GLU A 281 12.295 1.949 -0.794 1.00 0.00 C ATOM 306 CD GLU A 281 13.747 2.385 -1.009 1.00 0.00 C ATOM 307 OE1 GLU A 281 14.055 3.574 -0.422 1.00 0.00 O ATOM 308 OE2 GLU A 281 14.553 1.723 -1.650 1.00 0.00 O ATOM 0 H GLU A 281 9.381 1.650 1.338 1.00 0.00 H new ATOM 0 HA GLU A 281 11.720 0.099 1.029 1.00 0.00 H new ATOM 0 HB2 GLU A 281 10.681 2.731 0.421 1.00 0.00 H new ATOM 0 HB3 GLU A 281 12.268 2.930 1.137 1.00 0.00 H new ATOM 0 HG2 GLU A 281 12.240 0.876 -0.978 1.00 0.00 H new ATOM 0 HG3 GLU A 281 11.686 2.435 -1.556 1.00 0.00 H new ATOM 315 N LYS A 282 11.514 1.731 3.814 1.00 0.00 N ATOM 316 CA LYS A 282 12.109 1.837 5.143 1.00 0.00 C ATOM 317 C LYS A 282 12.375 0.468 5.725 1.00 0.00 C ATOM 318 O LYS A 282 13.462 0.178 6.241 1.00 0.00 O ATOM 319 CB LYS A 282 11.173 2.660 6.071 1.00 0.00 C ATOM 320 CG LYS A 282 11.872 3.165 7.358 1.00 0.00 C ATOM 321 CD LYS A 282 10.950 3.352 8.566 1.00 0.00 C ATOM 322 CE LYS A 282 9.501 3.499 8.083 1.00 0.00 C ATOM 323 NZ LYS A 282 8.896 4.691 8.703 1.00 0.00 N ATOM 0 H LYS A 282 10.592 2.158 3.732 1.00 0.00 H new ATOM 0 HA LYS A 282 13.066 2.352 5.060 1.00 0.00 H new ATOM 0 HB2 LYS A 282 10.785 3.515 5.518 1.00 0.00 H new ATOM 0 HB3 LYS A 282 10.317 2.045 6.349 1.00 0.00 H new ATOM 0 HG2 LYS A 282 12.659 2.460 7.626 1.00 0.00 H new ATOM 0 HG3 LYS A 282 12.357 4.116 7.140 1.00 0.00 H new ATOM 0 HD2 LYS A 282 11.036 2.499 9.239 1.00 0.00 H new ATOM 0 HD3 LYS A 282 11.248 4.235 9.132 1.00 0.00 H new ATOM 0 HE2 LYS A 282 9.476 3.588 6.997 1.00 0.00 H new ATOM 0 HE3 LYS A 282 8.927 2.609 8.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 282 8.039 4.415 9.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 282 9.576 5.123 9.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 282 8.645 5.378 7.963 1.00 0.00 H new ATOM 337 N VAL A 283 11.373 -0.390 5.679 1.00 0.00 N ATOM 338 CA VAL A 283 11.445 -1.712 6.295 1.00 0.00 C ATOM 339 C VAL A 283 12.220 -2.701 5.454 1.00 0.00 C ATOM 340 O VAL A 283 12.540 -3.813 5.911 1.00 0.00 O ATOM 341 CB VAL A 283 9.980 -2.246 6.566 1.00 0.00 C ATOM 342 CG1 VAL A 283 9.805 -3.789 6.609 1.00 0.00 C ATOM 343 CG2 VAL A 283 9.360 -1.727 7.886 1.00 0.00 C ATOM 0 H VAL A 283 10.485 -0.195 5.216 1.00 0.00 H new ATOM 0 HA VAL A 283 11.985 -1.611 7.237 1.00 0.00 H new ATOM 0 HB VAL A 283 9.470 -1.849 5.688 1.00 0.00 H new ATOM 0 HG11 VAL A 283 8.760 -4.031 6.801 1.00 0.00 H new ATOM 0 HG12 VAL A 283 10.107 -4.216 5.653 1.00 0.00 H new ATOM 0 HG13 VAL A 283 10.426 -4.204 7.403 1.00 0.00 H new ATOM 0 HG21 VAL A 283 8.356 -2.136 8.002 1.00 0.00 H new ATOM 0 HG22 VAL A 283 9.979 -2.041 8.727 1.00 0.00 H new ATOM 0 HG23 VAL A 283 9.308 -0.639 7.860 1.00 0.00 H new ATOM 353 N GLN A 284 12.515 -2.357 4.215 1.00 0.00 N ATOM 354 CA GLN A 284 13.337 -3.199 3.349 1.00 0.00 C ATOM 355 C GLN A 284 14.744 -3.316 3.887 1.00 0.00 C ATOM 356 O GLN A 284 15.412 -4.348 3.745 1.00 0.00 O ATOM 357 CB GLN A 284 13.339 -2.597 1.927 1.00 0.00 C ATOM 358 CG GLN A 284 12.417 -3.299 0.875 1.00 0.00 C ATOM 359 CD GLN A 284 11.976 -4.748 1.117 1.00 0.00 C ATOM 360 OE1 GLN A 284 12.735 -5.682 0.911 1.00 0.00 O ATOM 361 NE2 GLN A 284 10.763 -5.000 1.540 1.00 0.00 N ATOM 0 H GLN A 284 12.197 -1.493 3.777 1.00 0.00 H new ATOM 0 HA GLN A 284 12.918 -4.205 3.317 1.00 0.00 H new ATOM 0 HB2 GLN A 284 13.042 -1.551 1.998 1.00 0.00 H new ATOM 0 HB3 GLN A 284 14.362 -2.613 1.550 1.00 0.00 H new ATOM 0 HG2 GLN A 284 11.516 -2.694 0.773 1.00 0.00 H new ATOM 0 HG3 GLN A 284 12.932 -3.269 -0.085 1.00 0.00 H new ATOM 0 HE21 GLN A 284 10.115 -4.233 1.717 1.00 0.00 H new ATOM 0 HE22 GLN A 284 10.466 -5.964 1.692 1.00 0.00 H new ATOM 370 N ALA A 285 15.223 -2.252 4.503 1.00 0.00 N ATOM 371 CA ALA A 285 16.539 -2.252 5.137 1.00 0.00 C ATOM 372 C ALA A 285 16.500 -2.976 6.463 1.00 0.00 C ATOM 373 O ALA A 285 17.416 -3.725 6.824 1.00 0.00 O ATOM 374 CB ALA A 285 16.992 -0.788 5.271 1.00 0.00 C ATOM 0 H ALA A 285 14.720 -1.368 4.581 1.00 0.00 H new ATOM 0 HA ALA A 285 17.264 -2.794 4.529 1.00 0.00 H new ATOM 0 HB1 ALA A 285 17.974 -0.753 5.742 1.00 0.00 H new ATOM 0 HB2 ALA A 285 17.047 -0.332 4.282 1.00 0.00 H new ATOM 0 HB3 ALA A 285 16.276 -0.240 5.884 1.00 0.00 H new ATOM 380 N ALA A 286 15.420 -2.785 7.200 1.00 0.00 N ATOM 381 CA ALA A 286 15.282 -3.371 8.530 1.00 0.00 C ATOM 382 C ALA A 286 16.448 -2.990 9.411 1.00 0.00 C ATOM 383 O ALA A 286 16.649 -1.792 9.780 1.00 0.00 O ATOM 384 CB ALA A 286 15.137 -4.893 8.356 1.00 0.00 C ATOM 385 OXT ALA A 286 17.211 -3.941 9.767 1.00 0.00 O ATOM 0 H ALA A 286 14.620 -2.227 6.902 1.00 0.00 H new ATOM 0 HA ALA A 286 14.396 -2.986 9.035 1.00 0.00 H new ATOM 0 HB1 ALA A 286 15.032 -5.363 9.334 1.00 0.00 H new ATOM 0 HB2 ALA A 286 14.255 -5.108 7.753 1.00 0.00 H new ATOM 0 HB3 ALA A 286 16.022 -5.288 7.857 1.00 0.00 H new TER 391 ALA A 286