USER MOD reduce.3.24.130724 H: found=0, std=0, add=169, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 169 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 308 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.0165) USER MOD Single : A 313 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 321 TYR OH : rot 180:sc= 0 USER MOD Single : A 322 ASN : amide:sc= -0.0983 X(o=-0.098,f=-0.53) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 308 -10.482 7.209 5.237 1.00 0.00 N ATOM 2 CA LYS A 308 -10.703 6.853 6.673 1.00 0.00 C ATOM 3 C LYS A 308 -9.826 5.657 7.069 1.00 0.00 C ATOM 4 O LYS A 308 -9.040 5.739 7.994 1.00 0.00 O ATOM 5 CB LYS A 308 -12.191 6.495 6.781 1.00 0.00 C ATOM 6 CG LYS A 308 -12.888 7.473 7.731 1.00 0.00 C ATOM 7 CD LYS A 308 -12.994 6.849 9.127 1.00 0.00 C ATOM 8 CE LYS A 308 -13.155 7.955 10.177 1.00 0.00 C ATOM 9 NZ LYS A 308 -14.576 8.402 10.068 1.00 0.00 N ATOM 0 HA LYS A 308 -10.438 7.672 7.341 1.00 0.00 H new ATOM 0 HB2 LYS A 308 -12.657 6.534 5.796 1.00 0.00 H new ATOM 0 HB3 LYS A 308 -12.304 5.474 7.147 1.00 0.00 H new ATOM 0 HG2 LYS A 308 -12.329 8.407 7.781 1.00 0.00 H new ATOM 0 HG3 LYS A 308 -13.882 7.716 7.354 1.00 0.00 H new ATOM 0 HD2 LYS A 308 -13.845 6.169 9.168 1.00 0.00 H new ATOM 0 HD3 LYS A 308 -12.103 6.259 9.341 1.00 0.00 H new ATOM 0 HE2 LYS A 308 -12.936 7.582 11.177 1.00 0.00 H new ATOM 0 HE3 LYS A 308 -12.468 8.780 9.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 308 -14.606 9.432 9.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 308 -15.028 7.927 9.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 308 -15.084 8.159 10.942 1.00 0.00 H new ATOM 22 N PHE A 309 -9.953 4.550 6.376 1.00 0.00 N ATOM 23 CA PHE A 309 -9.126 3.350 6.714 1.00 0.00 C ATOM 24 C PHE A 309 -8.254 2.958 5.513 1.00 0.00 C ATOM 25 O PHE A 309 -8.766 2.553 4.486 1.00 0.00 O ATOM 26 CB PHE A 309 -10.132 2.237 7.034 1.00 0.00 C ATOM 27 CG PHE A 309 -11.030 2.664 8.176 1.00 0.00 C ATOM 28 CD1 PHE A 309 -10.478 2.985 9.424 1.00 0.00 C ATOM 29 CD2 PHE A 309 -12.415 2.738 7.984 1.00 0.00 C ATOM 30 CE1 PHE A 309 -11.312 3.379 10.477 1.00 0.00 C ATOM 31 CE2 PHE A 309 -13.247 3.132 9.038 1.00 0.00 C ATOM 32 CZ PHE A 309 -12.697 3.454 10.284 1.00 0.00 C ATOM 0 H PHE A 309 -10.593 4.427 5.592 1.00 0.00 H new ATOM 0 HA PHE A 309 -8.455 3.537 7.552 1.00 0.00 H new ATOM 0 HB2 PHE A 309 -10.732 2.014 6.152 1.00 0.00 H new ATOM 0 HB3 PHE A 309 -9.602 1.322 7.299 1.00 0.00 H new ATOM 0 HD1 PHE A 309 -9.410 2.928 9.573 1.00 0.00 H new ATOM 0 HD2 PHE A 309 -12.841 2.491 7.023 1.00 0.00 H new ATOM 0 HE1 PHE A 309 -10.887 3.625 11.439 1.00 0.00 H new ATOM 0 HE2 PHE A 309 -14.315 3.188 8.890 1.00 0.00 H new ATOM 0 HZ PHE A 309 -13.340 3.760 11.096 1.00 0.00 H new ATOM 42 N PRO A 310 -6.957 3.095 5.678 1.00 0.00 N ATOM 43 CA PRO A 310 -6.009 2.750 4.585 1.00 0.00 C ATOM 44 C PRO A 310 -5.904 1.226 4.419 1.00 0.00 C ATOM 45 O PRO A 310 -6.067 0.478 5.365 1.00 0.00 O ATOM 46 CB PRO A 310 -4.684 3.341 5.060 1.00 0.00 C ATOM 47 CG PRO A 310 -4.798 3.409 6.549 1.00 0.00 C ATOM 48 CD PRO A 310 -6.259 3.576 6.879 1.00 0.00 C ATOM 0 HA PRO A 310 -6.319 3.136 3.614 1.00 0.00 H new ATOM 0 HB2 PRO A 310 -3.843 2.717 4.757 1.00 0.00 H new ATOM 0 HB3 PRO A 310 -4.518 4.330 4.632 1.00 0.00 H new ATOM 0 HG2 PRO A 310 -4.402 2.503 7.007 1.00 0.00 H new ATOM 0 HG3 PRO A 310 -4.217 4.244 6.941 1.00 0.00 H new ATOM 0 HD2 PRO A 310 -6.537 2.997 7.760 1.00 0.00 H new ATOM 0 HD3 PRO A 310 -6.503 4.617 7.091 1.00 0.00 H new ATOM 56 N ARG A 311 -5.628 0.767 3.223 1.00 0.00 N ATOM 57 CA ARG A 311 -5.510 -0.705 2.990 1.00 0.00 C ATOM 58 C ARG A 311 -4.044 -1.139 3.111 1.00 0.00 C ATOM 59 O ARG A 311 -3.263 -0.980 2.189 1.00 0.00 O ATOM 60 CB ARG A 311 -6.030 -0.927 1.566 1.00 0.00 C ATOM 61 CG ARG A 311 -6.696 -2.303 1.471 1.00 0.00 C ATOM 62 CD ARG A 311 -5.625 -3.387 1.311 1.00 0.00 C ATOM 63 NE ARG A 311 -6.325 -4.528 0.656 1.00 0.00 N ATOM 64 CZ ARG A 311 -6.773 -5.523 1.376 1.00 0.00 C ATOM 65 NH1 ARG A 311 -7.936 -5.428 1.965 1.00 0.00 N ATOM 66 NH2 ARG A 311 -6.055 -6.607 1.506 1.00 0.00 N ATOM 0 H ARG A 311 -5.479 1.349 2.398 1.00 0.00 H new ATOM 0 HA ARG A 311 -6.073 -1.289 3.718 1.00 0.00 H new ATOM 0 HB2 ARG A 311 -6.745 -0.147 1.303 1.00 0.00 H new ATOM 0 HB3 ARG A 311 -5.208 -0.860 0.853 1.00 0.00 H new ATOM 0 HG2 ARG A 311 -7.288 -2.493 2.366 1.00 0.00 H new ATOM 0 HG3 ARG A 311 -7.381 -2.328 0.624 1.00 0.00 H new ATOM 0 HD2 ARG A 311 -4.793 -3.033 0.702 1.00 0.00 H new ATOM 0 HD3 ARG A 311 -5.212 -3.679 2.276 1.00 0.00 H new ATOM 0 HE ARG A 311 -6.455 -4.533 -0.356 1.00 0.00 H new ATOM 0 HH11 ARG A 311 -8.492 -4.579 1.862 1.00 0.00 H new ATOM 0 HH12 ARG A 311 -8.288 -6.203 2.527 1.00 0.00 H new ATOM 0 HH21 ARG A 311 -5.147 -6.676 1.046 1.00 0.00 H new ATOM 0 HH22 ARG A 311 -6.402 -7.385 2.067 1.00 0.00 H new ATOM 80 N ALA A 312 -3.669 -1.684 4.248 1.00 0.00 N ATOM 81 CA ALA A 312 -2.255 -2.138 4.458 1.00 0.00 C ATOM 82 C ALA A 312 -1.273 -0.977 4.228 1.00 0.00 C ATOM 83 O ALA A 312 -1.635 0.181 4.327 1.00 0.00 O ATOM 84 CB ALA A 312 -2.034 -3.257 3.433 1.00 0.00 C ATOM 0 H ALA A 312 -4.288 -1.834 5.045 1.00 0.00 H new ATOM 0 HA ALA A 312 -2.085 -2.487 5.477 1.00 0.00 H new ATOM 0 HB1 ALA A 312 -1.018 -3.640 3.526 1.00 0.00 H new ATOM 0 HB2 ALA A 312 -2.744 -4.063 3.616 1.00 0.00 H new ATOM 0 HB3 ALA A 312 -2.183 -2.864 2.427 1.00 0.00 H new ATOM 90 N MET A 313 -0.032 -1.278 3.928 1.00 0.00 N ATOM 91 CA MET A 313 0.972 -0.193 3.693 1.00 0.00 C ATOM 92 C MET A 313 2.091 -0.690 2.762 1.00 0.00 C ATOM 93 O MET A 313 3.218 -0.873 3.185 1.00 0.00 O ATOM 94 CB MET A 313 1.522 0.162 5.085 1.00 0.00 C ATOM 95 CG MET A 313 1.974 -1.106 5.822 1.00 0.00 C ATOM 96 SD MET A 313 0.737 -1.555 7.067 1.00 0.00 S ATOM 97 CE MET A 313 1.274 -0.401 8.353 1.00 0.00 C ATOM 0 H MET A 313 0.329 -2.228 3.836 1.00 0.00 H new ATOM 0 HA MET A 313 0.531 0.677 3.207 1.00 0.00 H new ATOM 0 HB2 MET A 313 2.361 0.851 4.987 1.00 0.00 H new ATOM 0 HB3 MET A 313 0.755 0.674 5.666 1.00 0.00 H new ATOM 0 HG2 MET A 313 2.106 -1.924 5.113 1.00 0.00 H new ATOM 0 HG3 MET A 313 2.940 -0.938 6.298 1.00 0.00 H new ATOM 0 HE1 MET A 313 0.635 -0.510 9.230 1.00 0.00 H new ATOM 0 HE2 MET A 313 2.307 -0.617 8.627 1.00 0.00 H new ATOM 0 HE3 MET A 313 1.204 0.620 7.978 1.00 0.00 H new ATOM 107 N PRO A 314 1.739 -0.889 1.512 1.00 0.00 N ATOM 108 CA PRO A 314 2.726 -1.364 0.505 1.00 0.00 C ATOM 109 C PRO A 314 3.729 -0.254 0.154 1.00 0.00 C ATOM 110 O PRO A 314 3.746 0.798 0.765 1.00 0.00 O ATOM 111 CB PRO A 314 1.864 -1.729 -0.700 1.00 0.00 C ATOM 112 CG PRO A 314 0.619 -0.914 -0.552 1.00 0.00 C ATOM 113 CD PRO A 314 0.405 -0.697 0.924 1.00 0.00 C ATOM 0 HA PRO A 314 3.326 -2.201 0.861 1.00 0.00 H new ATOM 0 HB2 PRO A 314 2.376 -1.500 -1.635 1.00 0.00 H new ATOM 0 HB3 PRO A 314 1.638 -2.795 -0.714 1.00 0.00 H new ATOM 0 HG2 PRO A 314 0.719 0.039 -1.071 1.00 0.00 H new ATOM 0 HG3 PRO A 314 -0.234 -1.430 -0.993 1.00 0.00 H new ATOM 0 HD2 PRO A 314 0.019 0.302 1.128 1.00 0.00 H new ATOM 0 HD3 PRO A 314 -0.316 -1.406 1.331 1.00 0.00 H new ATOM 121 N ILE A 315 4.567 -0.488 -0.825 1.00 0.00 N ATOM 122 CA ILE A 315 5.581 0.548 -1.217 1.00 0.00 C ATOM 123 C ILE A 315 5.014 1.494 -2.286 1.00 0.00 C ATOM 124 O ILE A 315 5.587 2.529 -2.573 1.00 0.00 O ATOM 125 CB ILE A 315 6.781 -0.234 -1.774 1.00 0.00 C ATOM 126 CG1 ILE A 315 7.110 -1.425 -0.859 1.00 0.00 C ATOM 127 CG2 ILE A 315 8.000 0.690 -1.855 1.00 0.00 C ATOM 128 CD1 ILE A 315 7.321 -0.938 0.579 1.00 0.00 C ATOM 0 H ILE A 315 4.596 -1.349 -1.371 1.00 0.00 H new ATOM 0 HA ILE A 315 5.862 1.169 -0.367 1.00 0.00 H new ATOM 0 HB ILE A 315 6.530 -0.605 -2.768 1.00 0.00 H new ATOM 0 HG12 ILE A 315 6.299 -2.153 -0.890 1.00 0.00 H new ATOM 0 HG13 ILE A 315 8.007 -1.931 -1.216 1.00 0.00 H new ATOM 0 HG21 ILE A 315 8.851 0.136 -2.250 1.00 0.00 H new ATOM 0 HG22 ILE A 315 7.777 1.530 -2.513 1.00 0.00 H new ATOM 0 HG23 ILE A 315 8.240 1.063 -0.860 1.00 0.00 H new ATOM 0 HD11 ILE A 315 7.554 -1.788 1.221 1.00 0.00 H new ATOM 0 HD12 ILE A 315 8.147 -0.227 0.605 1.00 0.00 H new ATOM 0 HD13 ILE A 315 6.413 -0.452 0.936 1.00 0.00 H new ATOM 140 N TRP A 316 3.894 1.153 -2.867 1.00 0.00 N ATOM 141 CA TRP A 316 3.282 2.037 -3.908 1.00 0.00 C ATOM 142 C TRP A 316 2.056 2.770 -3.338 1.00 0.00 C ATOM 143 O TRP A 316 1.676 3.820 -3.819 1.00 0.00 O ATOM 144 CB TRP A 316 2.891 1.103 -5.068 1.00 0.00 C ATOM 145 CG TRP A 316 1.856 0.114 -4.622 1.00 0.00 C ATOM 146 CD1 TRP A 316 2.117 -1.120 -4.131 1.00 0.00 C ATOM 147 CD2 TRP A 316 0.406 0.256 -4.625 1.00 0.00 C ATOM 148 NE1 TRP A 316 0.918 -1.740 -3.825 1.00 0.00 N ATOM 149 CE2 TRP A 316 -0.164 -0.933 -4.113 1.00 0.00 C ATOM 150 CE3 TRP A 316 -0.458 1.293 -5.015 1.00 0.00 C ATOM 151 CZ2 TRP A 316 -1.546 -1.086 -3.993 1.00 0.00 C ATOM 152 CZ3 TRP A 316 -1.849 1.142 -4.896 1.00 0.00 C ATOM 153 CH2 TRP A 316 -2.390 -0.045 -4.385 1.00 0.00 C ATOM 0 H TRP A 316 3.374 0.299 -2.666 1.00 0.00 H new ATOM 0 HA TRP A 316 3.972 2.811 -4.244 1.00 0.00 H new ATOM 0 HB2 TRP A 316 2.505 1.691 -5.901 1.00 0.00 H new ATOM 0 HB3 TRP A 316 3.773 0.576 -5.431 1.00 0.00 H new ATOM 0 HD1 TRP A 316 3.099 -1.550 -4.000 1.00 0.00 H new ATOM 0 HE1 TRP A 316 0.843 -2.679 -3.434 1.00 0.00 H new ATOM 0 HE3 TRP A 316 -0.050 2.212 -5.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 316 -1.960 -2.003 -3.600 1.00 0.00 H new ATOM 0 HZ3 TRP A 316 -2.505 1.945 -5.200 1.00 0.00 H new ATOM 0 HH2 TRP A 316 -3.461 -0.155 -4.294 1.00 0.00 H new ATOM 164 N ALA A 317 1.450 2.232 -2.308 1.00 0.00 N ATOM 165 CA ALA A 317 0.259 2.896 -1.692 1.00 0.00 C ATOM 166 C ALA A 317 0.530 3.165 -0.206 1.00 0.00 C ATOM 167 O ALA A 317 0.040 2.466 0.663 1.00 0.00 O ATOM 168 CB ALA A 317 -0.892 1.899 -1.865 1.00 0.00 C ATOM 0 H ALA A 317 1.731 1.357 -1.865 1.00 0.00 H new ATOM 0 HA ALA A 317 0.028 3.855 -2.155 1.00 0.00 H new ATOM 0 HB1 ALA A 317 -1.803 2.317 -1.436 1.00 0.00 H new ATOM 0 HB2 ALA A 317 -1.047 1.703 -2.926 1.00 0.00 H new ATOM 0 HB3 ALA A 317 -0.646 0.967 -1.356 1.00 0.00 H new ATOM 174 N ARG A 318 1.320 4.167 0.094 1.00 0.00 N ATOM 175 CA ARG A 318 1.634 4.469 1.524 1.00 0.00 C ATOM 176 C ARG A 318 1.318 5.939 1.860 1.00 0.00 C ATOM 177 O ARG A 318 1.905 6.846 1.302 1.00 0.00 O ATOM 178 CB ARG A 318 3.136 4.172 1.680 1.00 0.00 C ATOM 179 CG ARG A 318 3.966 5.061 0.741 1.00 0.00 C ATOM 180 CD ARG A 318 4.644 4.203 -0.331 1.00 0.00 C ATOM 181 NE ARG A 318 5.656 5.103 -0.965 1.00 0.00 N ATOM 182 CZ ARG A 318 5.270 6.091 -1.731 1.00 0.00 C ATOM 183 NH1 ARG A 318 4.987 5.870 -2.987 1.00 0.00 N ATOM 184 NH2 ARG A 318 5.172 7.299 -1.240 1.00 0.00 N ATOM 0 H ARG A 318 1.759 4.786 -0.587 1.00 0.00 H new ATOM 0 HA ARG A 318 1.033 3.869 2.207 1.00 0.00 H new ATOM 0 HB2 ARG A 318 3.440 4.342 2.713 1.00 0.00 H new ATOM 0 HB3 ARG A 318 3.329 3.122 1.460 1.00 0.00 H new ATOM 0 HG2 ARG A 318 3.324 5.805 0.270 1.00 0.00 H new ATOM 0 HG3 ARG A 318 4.718 5.605 1.313 1.00 0.00 H new ATOM 0 HD2 ARG A 318 5.117 3.325 0.108 1.00 0.00 H new ATOM 0 HD3 ARG A 318 3.922 3.843 -1.064 1.00 0.00 H new ATOM 0 HE ARG A 318 6.650 4.946 -0.800 1.00 0.00 H new ATOM 0 HH11 ARG A 318 5.067 4.928 -3.370 1.00 0.00 H new ATOM 0 HH12 ARG A 318 4.686 6.640 -3.585 1.00 0.00 H new ATOM 0 HH21 ARG A 318 5.396 7.471 -0.260 1.00 0.00 H new ATOM 0 HH22 ARG A 318 4.871 8.069 -1.837 1.00 0.00 H new ATOM 198 N PRO A 319 0.397 6.125 2.779 1.00 0.00 N ATOM 199 CA PRO A 319 0.014 7.496 3.205 1.00 0.00 C ATOM 200 C PRO A 319 1.100 8.097 4.109 1.00 0.00 C ATOM 201 O PRO A 319 1.425 9.265 4.015 1.00 0.00 O ATOM 202 CB PRO A 319 -1.287 7.282 3.976 1.00 0.00 C ATOM 203 CG PRO A 319 -1.233 5.866 4.459 1.00 0.00 C ATOM 204 CD PRO A 319 -0.368 5.092 3.495 1.00 0.00 C ATOM 0 HA PRO A 319 -0.103 8.189 2.372 1.00 0.00 H new ATOM 0 HB2 PRO A 319 -1.369 7.979 4.810 1.00 0.00 H new ATOM 0 HB3 PRO A 319 -2.154 7.447 3.337 1.00 0.00 H new ATOM 0 HG2 PRO A 319 -0.820 5.820 5.467 1.00 0.00 H new ATOM 0 HG3 PRO A 319 -2.234 5.438 4.505 1.00 0.00 H new ATOM 0 HD2 PRO A 319 0.292 4.401 4.020 1.00 0.00 H new ATOM 0 HD3 PRO A 319 -0.971 4.497 2.809 1.00 0.00 H new ATOM 212 N ASP A 320 1.664 7.294 4.973 1.00 0.00 N ATOM 213 CA ASP A 320 2.738 7.781 5.892 1.00 0.00 C ATOM 214 C ASP A 320 4.097 7.216 5.453 1.00 0.00 C ATOM 215 O ASP A 320 4.870 6.742 6.264 1.00 0.00 O ATOM 216 CB ASP A 320 2.344 7.254 7.278 1.00 0.00 C ATOM 217 CG ASP A 320 2.032 8.433 8.203 1.00 0.00 C ATOM 218 OD1 ASP A 320 2.967 8.997 8.746 1.00 0.00 O ATOM 219 OD2 ASP A 320 0.863 8.750 8.352 1.00 0.00 O ATOM 0 H ASP A 320 1.424 6.309 5.083 1.00 0.00 H new ATOM 0 HA ASP A 320 2.833 8.867 5.889 1.00 0.00 H new ATOM 0 HB2 ASP A 320 1.475 6.602 7.197 1.00 0.00 H new ATOM 0 HB3 ASP A 320 3.154 6.655 7.695 1.00 0.00 H new ATOM 224 N TYR A 321 4.375 7.249 4.165 1.00 0.00 N ATOM 225 CA TYR A 321 5.668 6.706 3.628 1.00 0.00 C ATOM 226 C TYR A 321 6.838 6.965 4.585 1.00 0.00 C ATOM 227 O TYR A 321 7.098 8.086 4.982 1.00 0.00 O ATOM 228 CB TYR A 321 5.896 7.449 2.306 1.00 0.00 C ATOM 229 CG TYR A 321 7.175 6.962 1.658 1.00 0.00 C ATOM 230 CD1 TYR A 321 7.478 5.594 1.633 1.00 0.00 C ATOM 231 CD2 TYR A 321 8.059 7.883 1.082 1.00 0.00 C ATOM 232 CE1 TYR A 321 8.662 5.149 1.036 1.00 0.00 C ATOM 233 CE2 TYR A 321 9.243 7.437 0.482 1.00 0.00 C ATOM 234 CZ TYR A 321 9.544 6.070 0.460 1.00 0.00 C ATOM 235 OH TYR A 321 10.712 5.630 -0.131 1.00 0.00 O ATOM 0 H TYR A 321 3.751 7.635 3.456 1.00 0.00 H new ATOM 0 HA TYR A 321 5.614 5.625 3.501 1.00 0.00 H new ATOM 0 HB2 TYR A 321 5.052 7.285 1.636 1.00 0.00 H new ATOM 0 HB3 TYR A 321 5.955 8.522 2.487 1.00 0.00 H new ATOM 0 HD1 TYR A 321 6.796 4.882 2.075 1.00 0.00 H new ATOM 0 HD2 TYR A 321 7.827 8.938 1.101 1.00 0.00 H new ATOM 0 HE1 TYR A 321 8.895 4.095 1.020 1.00 0.00 H new ATOM 0 HE2 TYR A 321 9.924 8.147 0.036 1.00 0.00 H new ATOM 0 HH TYR A 321 11.210 6.397 -0.483 1.00 0.00 H new ATOM 245 N ASN A 322 7.540 5.924 4.948 1.00 0.00 N ATOM 246 CA ASN A 322 8.704 6.073 5.874 1.00 0.00 C ATOM 247 C ASN A 322 9.826 6.874 5.193 1.00 0.00 C ATOM 248 O ASN A 322 9.871 6.961 3.978 1.00 0.00 O ATOM 249 CB ASN A 322 9.164 4.638 6.179 1.00 0.00 C ATOM 250 CG ASN A 322 9.841 4.025 4.944 1.00 0.00 C ATOM 251 OD1 ASN A 322 11.015 4.233 4.718 1.00 0.00 O ATOM 252 ND2 ASN A 322 9.148 3.272 4.132 1.00 0.00 N ATOM 0 H ASN A 322 7.356 4.969 4.641 1.00 0.00 H new ATOM 0 HA ASN A 322 8.440 6.612 6.784 1.00 0.00 H new ATOM 0 HB2 ASN A 322 9.858 4.642 7.019 1.00 0.00 H new ATOM 0 HB3 ASN A 322 8.309 4.029 6.474 1.00 0.00 H new ATOM 0 HD21 ASN A 322 9.594 2.861 3.312 1.00 0.00 H new ATOM 0 HD22 ASN A 322 8.161 3.095 4.318 1.00 0.00 H new ATOM 259 N PRO A 323 10.698 7.430 6.000 1.00 0.00 N ATOM 260 CA PRO A 323 11.831 8.226 5.463 1.00 0.00 C ATOM 261 C PRO A 323 12.879 7.304 4.822 1.00 0.00 C ATOM 262 O PRO A 323 13.461 6.472 5.495 1.00 0.00 O ATOM 263 CB PRO A 323 12.401 8.918 6.700 1.00 0.00 C ATOM 264 CG PRO A 323 12.006 8.045 7.848 1.00 0.00 C ATOM 265 CD PRO A 323 10.711 7.375 7.469 1.00 0.00 C ATOM 0 HA PRO A 323 11.530 8.929 4.687 1.00 0.00 H new ATOM 0 HB2 PRO A 323 13.485 9.016 6.633 1.00 0.00 H new ATOM 0 HB3 PRO A 323 11.996 9.924 6.811 1.00 0.00 H new ATOM 0 HG2 PRO A 323 12.778 7.303 8.052 1.00 0.00 H new ATOM 0 HG3 PRO A 323 11.883 8.635 8.756 1.00 0.00 H new ATOM 0 HD2 PRO A 323 10.673 6.347 7.830 1.00 0.00 H new ATOM 0 HD3 PRO A 323 9.853 7.895 7.895 1.00 0.00 H new ATOM 273 N PRO A 324 13.086 7.479 3.537 1.00 0.00 N ATOM 274 CA PRO A 324 14.078 6.647 2.807 1.00 0.00 C ATOM 275 C PRO A 324 15.508 7.060 3.185 1.00 0.00 C ATOM 276 O PRO A 324 15.714 7.851 4.089 1.00 0.00 O ATOM 277 CB PRO A 324 13.789 6.949 1.338 1.00 0.00 C ATOM 278 CG PRO A 324 13.143 8.298 1.335 1.00 0.00 C ATOM 279 CD PRO A 324 12.428 8.452 2.653 1.00 0.00 C ATOM 0 HA PRO A 324 14.001 5.585 3.039 1.00 0.00 H new ATOM 0 HB2 PRO A 324 14.706 6.950 0.748 1.00 0.00 H new ATOM 0 HB3 PRO A 324 13.131 6.196 0.903 1.00 0.00 H new ATOM 0 HG2 PRO A 324 13.890 9.082 1.208 1.00 0.00 H new ATOM 0 HG3 PRO A 324 12.443 8.388 0.505 1.00 0.00 H new ATOM 0 HD2 PRO A 324 12.520 9.467 3.040 1.00 0.00 H new ATOM 0 HD3 PRO A 324 11.363 8.244 2.555 1.00 0.00 H new ATOM 287 N LEU A 325 16.495 6.526 2.500 1.00 0.00 N ATOM 288 CA LEU A 325 17.917 6.876 2.816 1.00 0.00 C ATOM 289 C LEU A 325 18.213 6.570 4.296 1.00 0.00 C ATOM 290 O LEU A 325 17.756 5.573 4.822 1.00 0.00 O ATOM 291 CB LEU A 325 18.033 8.378 2.512 1.00 0.00 C ATOM 292 CG LEU A 325 19.432 8.689 1.969 1.00 0.00 C ATOM 293 CD1 LEU A 325 19.430 8.561 0.444 1.00 0.00 C ATOM 294 CD2 LEU A 325 19.821 10.117 2.359 1.00 0.00 C ATOM 0 H LEU A 325 16.375 5.862 1.735 1.00 0.00 H new ATOM 0 HA LEU A 325 18.636 6.301 2.233 1.00 0.00 H new ATOM 0 HB2 LEU A 325 17.277 8.671 1.784 1.00 0.00 H new ATOM 0 HB3 LEU A 325 17.846 8.957 3.416 1.00 0.00 H new ATOM 0 HG LEU A 325 20.150 7.986 2.391 1.00 0.00 H new ATOM 0 HD11 LEU A 325 20.425 8.782 0.059 1.00 0.00 H new ATOM 0 HD12 LEU A 325 19.150 7.545 0.165 1.00 0.00 H new ATOM 0 HD13 LEU A 325 18.713 9.264 0.021 1.00 0.00 H new ATOM 0 HD21 LEU A 325 20.816 10.341 1.974 1.00 0.00 H new ATOM 0 HD22 LEU A 325 19.102 10.818 1.936 1.00 0.00 H new ATOM 0 HD23 LEU A 325 19.823 10.210 3.445 1.00 0.00 H new ATOM 306 N LEU A 326 18.959 7.409 4.975 1.00 0.00 N ATOM 307 CA LEU A 326 19.256 7.146 6.415 1.00 0.00 C ATOM 308 C LEU A 326 18.100 7.652 7.286 1.00 0.00 C ATOM 309 O LEU A 326 17.983 8.833 7.558 1.00 0.00 O ATOM 310 CB LEU A 326 20.547 7.919 6.717 1.00 0.00 C ATOM 311 CG LEU A 326 21.403 7.123 7.709 1.00 0.00 C ATOM 312 CD1 LEU A 326 22.799 7.743 7.789 1.00 0.00 C ATOM 313 CD2 LEU A 326 20.751 7.159 9.095 1.00 0.00 C ATOM 0 H LEU A 326 19.372 8.260 4.594 1.00 0.00 H new ATOM 0 HA LEU A 326 19.373 6.083 6.625 1.00 0.00 H new ATOM 0 HB2 LEU A 326 21.104 8.090 5.796 1.00 0.00 H new ATOM 0 HB3 LEU A 326 20.308 8.898 7.132 1.00 0.00 H new ATOM 0 HG LEU A 326 21.481 6.090 7.371 1.00 0.00 H new ATOM 0 HD11 LEU A 326 23.408 7.178 8.494 1.00 0.00 H new ATOM 0 HD12 LEU A 326 23.266 7.717 6.804 1.00 0.00 H new ATOM 0 HD13 LEU A 326 22.719 8.777 8.126 1.00 0.00 H new ATOM 0 HD21 LEU A 326 21.361 6.593 9.799 1.00 0.00 H new ATOM 0 HD22 LEU A 326 20.672 8.192 9.433 1.00 0.00 H new ATOM 0 HD23 LEU A 326 19.756 6.718 9.040 1.00 0.00 H new ATOM 325 N GLU A 327 17.246 6.760 7.719 1.00 0.00 N ATOM 326 CA GLU A 327 16.087 7.172 8.574 1.00 0.00 C ATOM 327 C GLU A 327 16.524 7.364 10.038 1.00 0.00 C ATOM 328 O GLU A 327 15.734 7.890 10.805 1.00 0.00 O ATOM 329 CB GLU A 327 15.069 6.027 8.455 1.00 0.00 C ATOM 330 CG GLU A 327 15.669 4.723 9.000 1.00 0.00 C ATOM 331 CD GLU A 327 15.934 3.754 7.844 1.00 0.00 C ATOM 332 OE1 GLU A 327 16.974 3.880 7.218 1.00 0.00 O ATOM 333 OE2 GLU A 327 15.094 2.902 7.608 1.00 0.00 O ATOM 334 OXT GLU A 327 17.638 6.983 10.368 1.00 0.00 O ATOM 0 H GLU A 327 17.300 5.761 7.518 1.00 0.00 H new ATOM 0 HA GLU A 327 15.667 8.125 8.252 1.00 0.00 H new ATOM 0 HB2 GLU A 327 14.163 6.277 9.007 1.00 0.00 H new ATOM 0 HB3 GLU A 327 14.780 5.895 7.412 1.00 0.00 H new ATOM 0 HG2 GLU A 327 16.597 4.933 9.531 1.00 0.00 H new ATOM 0 HG3 GLU A 327 14.986 4.269 9.718 1.00 0.00 H new TER 341 GLU A 327