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+ -159:sc= 0.0998 (180deg=0.0414) 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= -0.105 X(o=-0.1,f=-0.095) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 308 0.433 -16.947 3.832 1.00 0.00 N ATOM 2 CA LYS A 308 -0.907 -16.708 3.212 1.00 0.00 C ATOM 3 C LYS A 308 -1.128 -15.207 2.980 1.00 0.00 C ATOM 4 O LYS A 308 -0.498 -14.380 3.614 1.00 0.00 O ATOM 5 CB LYS A 308 -1.932 -17.262 4.216 1.00 0.00 C ATOM 6 CG LYS A 308 -1.890 -16.456 5.522 1.00 0.00 C ATOM 7 CD LYS A 308 -3.212 -16.628 6.274 1.00 0.00 C ATOM 8 CE LYS A 308 -3.248 -15.679 7.479 1.00 0.00 C ATOM 9 NZ LYS A 308 -4.504 -14.888 7.323 1.00 0.00 N ATOM 0 HA LYS A 308 -0.998 -17.194 2.240 1.00 0.00 H new ATOM 0 HB2 LYS A 308 -2.933 -17.218 3.786 1.00 0.00 H new ATOM 0 HB3 LYS A 308 -1.719 -18.311 4.421 1.00 0.00 H new ATOM 0 HG2 LYS A 308 -1.060 -16.793 6.143 1.00 0.00 H new ATOM 0 HG3 LYS A 308 -1.718 -15.402 5.305 1.00 0.00 H new ATOM 0 HD2 LYS A 308 -4.050 -16.419 5.609 1.00 0.00 H new ATOM 0 HD3 LYS A 308 -3.320 -17.660 6.608 1.00 0.00 H new ATOM 0 HE2 LYS A 308 -3.247 -16.235 8.417 1.00 0.00 H new ATOM 0 HE3 LYS A 308 -2.373 -15.029 7.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 308 -4.431 -14.009 7.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 308 -4.646 -14.657 6.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 308 -5.311 -15.446 7.668 1.00 0.00 H new ATOM 22 N PHE A 309 -2.019 -14.862 2.072 1.00 0.00 N ATOM 23 CA PHE A 309 -2.312 -13.422 1.762 1.00 0.00 C ATOM 24 C PHE A 309 -1.081 -12.722 1.163 1.00 0.00 C ATOM 25 O PHE A 309 0.041 -13.143 1.370 1.00 0.00 O ATOM 26 CB PHE A 309 -2.720 -12.772 3.094 1.00 0.00 C ATOM 27 CG PHE A 309 -4.195 -12.991 3.332 1.00 0.00 C ATOM 28 CD1 PHE A 309 -4.655 -14.235 3.782 1.00 0.00 C ATOM 29 CD2 PHE A 309 -5.103 -11.950 3.103 1.00 0.00 C ATOM 30 CE1 PHE A 309 -6.021 -14.438 4.003 1.00 0.00 C ATOM 31 CE2 PHE A 309 -6.470 -12.154 3.323 1.00 0.00 C ATOM 32 CZ PHE A 309 -6.929 -13.397 3.774 1.00 0.00 C ATOM 0 H PHE A 309 -2.563 -15.530 1.525 1.00 0.00 H new ATOM 0 HA PHE A 309 -3.105 -13.334 1.020 1.00 0.00 H new ATOM 0 HB2 PHE A 309 -2.141 -13.201 3.912 1.00 0.00 H new ATOM 0 HB3 PHE A 309 -2.499 -11.705 3.073 1.00 0.00 H new ATOM 0 HD1 PHE A 309 -3.955 -15.038 3.958 1.00 0.00 H new ATOM 0 HD2 PHE A 309 -4.749 -10.990 2.757 1.00 0.00 H new ATOM 0 HE1 PHE A 309 -6.375 -15.397 4.350 1.00 0.00 H new ATOM 0 HE2 PHE A 309 -7.171 -11.352 3.145 1.00 0.00 H new ATOM 0 HZ PHE A 309 -7.984 -13.553 3.945 1.00 0.00 H new ATOM 42 N PRO A 310 -1.340 -11.667 0.425 1.00 0.00 N ATOM 43 CA PRO A 310 -0.244 -10.897 -0.222 1.00 0.00 C ATOM 44 C PRO A 310 0.490 -10.021 0.806 1.00 0.00 C ATOM 45 O PRO A 310 0.147 -9.997 1.974 1.00 0.00 O ATOM 46 CB PRO A 310 -0.974 -10.031 -1.246 1.00 0.00 C ATOM 47 CG PRO A 310 -2.368 -9.888 -0.718 1.00 0.00 C ATOM 48 CD PRO A 310 -2.662 -11.103 0.122 1.00 0.00 C ATOM 0 HA PRO A 310 0.517 -11.536 -0.669 1.00 0.00 H new ATOM 0 HB2 PRO A 310 -0.492 -9.059 -1.354 1.00 0.00 H new ATOM 0 HB3 PRO A 310 -0.972 -10.499 -2.230 1.00 0.00 H new ATOM 0 HG2 PRO A 310 -2.461 -8.979 -0.123 1.00 0.00 H new ATOM 0 HG3 PRO A 310 -3.082 -9.807 -1.538 1.00 0.00 H new ATOM 0 HD2 PRO A 310 -3.198 -10.836 1.033 1.00 0.00 H new ATOM 0 HD3 PRO A 310 -3.285 -11.817 -0.417 1.00 0.00 H new ATOM 56 N ARG A 311 1.495 -9.296 0.374 1.00 0.00 N ATOM 57 CA ARG A 311 2.253 -8.416 1.316 1.00 0.00 C ATOM 58 C ARG A 311 1.435 -7.154 1.626 1.00 0.00 C ATOM 59 O ARG A 311 1.366 -6.236 0.827 1.00 0.00 O ATOM 60 CB ARG A 311 3.553 -8.062 0.582 1.00 0.00 C ATOM 61 CG ARG A 311 4.701 -7.958 1.590 1.00 0.00 C ATOM 62 CD ARG A 311 5.815 -7.074 1.017 1.00 0.00 C ATOM 63 NE ARG A 311 6.665 -7.990 0.200 1.00 0.00 N ATOM 64 CZ ARG A 311 7.247 -7.551 -0.885 1.00 0.00 C ATOM 65 NH1 ARG A 311 8.245 -6.710 -0.795 1.00 0.00 N ATOM 66 NH2 ARG A 311 6.832 -7.954 -2.057 1.00 0.00 N ATOM 0 H ARG A 311 1.822 -9.277 -0.592 1.00 0.00 H new ATOM 0 HA ARG A 311 2.455 -8.904 2.269 1.00 0.00 H new ATOM 0 HB2 ARG A 311 3.779 -8.823 -0.165 1.00 0.00 H new ATOM 0 HB3 ARG A 311 3.436 -7.118 0.050 1.00 0.00 H new ATOM 0 HG2 ARG A 311 4.337 -7.538 2.528 1.00 0.00 H new ATOM 0 HG3 ARG A 311 5.091 -8.951 1.815 1.00 0.00 H new ATOM 0 HD2 ARG A 311 5.404 -6.270 0.406 1.00 0.00 H new ATOM 0 HD3 ARG A 311 6.394 -6.606 1.813 1.00 0.00 H new ATOM 0 HE ARG A 311 6.792 -8.960 0.489 1.00 0.00 H new ATOM 0 HH11 ARG A 311 8.568 -6.398 0.121 1.00 0.00 H new ATOM 0 HH12 ARG A 311 8.700 -6.366 -1.641 1.00 0.00 H new ATOM 0 HH21 ARG A 311 6.054 -8.611 -2.125 1.00 0.00 H new ATOM 0 HH22 ARG A 311 7.286 -7.612 -2.904 1.00 0.00 H new ATOM 80 N ALA A 312 0.809 -7.109 2.778 1.00 0.00 N ATOM 81 CA ALA A 312 -0.014 -5.914 3.151 1.00 0.00 C ATOM 82 C ALA A 312 0.879 -4.684 3.356 1.00 0.00 C ATOM 83 O ALA A 312 2.082 -4.799 3.505 1.00 0.00 O ATOM 84 CB ALA A 312 -0.705 -6.300 4.461 1.00 0.00 C ATOM 0 H ALA A 312 0.833 -7.850 3.478 1.00 0.00 H new ATOM 0 HA ALA A 312 -0.730 -5.653 2.372 1.00 0.00 H new ATOM 0 HB1 ALA A 312 -1.329 -5.473 4.801 1.00 0.00 H new ATOM 0 HB2 ALA A 312 -1.326 -7.181 4.299 1.00 0.00 H new ATOM 0 HB3 ALA A 312 0.048 -6.521 5.218 1.00 0.00 H new ATOM 90 N MET A 313 0.290 -3.508 3.361 1.00 0.00 N ATOM 91 CA MET A 313 1.080 -2.246 3.548 1.00 0.00 C ATOM 92 C MET A 313 2.253 -2.184 2.552 1.00 0.00 C ATOM 93 O MET A 313 3.404 -2.178 2.948 1.00 0.00 O ATOM 94 CB MET A 313 1.587 -2.291 4.997 1.00 0.00 C ATOM 95 CG MET A 313 0.562 -1.624 5.919 1.00 0.00 C ATOM 96 SD MET A 313 1.368 -1.141 7.467 1.00 0.00 S ATOM 97 CE MET A 313 -0.059 -1.388 8.553 1.00 0.00 C ATOM 0 H MET A 313 -0.713 -3.368 3.242 1.00 0.00 H new ATOM 0 HA MET A 313 0.475 -1.358 3.364 1.00 0.00 H new ATOM 0 HB2 MET A 313 1.750 -3.324 5.304 1.00 0.00 H new ATOM 0 HB3 MET A 313 2.547 -1.780 5.073 1.00 0.00 H new ATOM 0 HG2 MET A 313 0.133 -0.749 5.431 1.00 0.00 H new ATOM 0 HG3 MET A 313 -0.260 -2.310 6.123 1.00 0.00 H new ATOM 0 HE1 MET A 313 0.218 -1.144 9.579 1.00 0.00 H new ATOM 0 HE2 MET A 313 -0.876 -0.741 8.233 1.00 0.00 H new ATOM 0 HE3 MET A 313 -0.379 -2.429 8.502 1.00 0.00 H new ATOM 107 N PRO A 314 1.916 -2.133 1.281 1.00 0.00 N ATOM 108 CA PRO A 314 2.954 -2.065 0.217 1.00 0.00 C ATOM 109 C PRO A 314 3.618 -0.681 0.188 1.00 0.00 C ATOM 110 O PRO A 314 3.338 0.168 1.011 1.00 0.00 O ATOM 111 CB PRO A 314 2.171 -2.323 -1.067 1.00 0.00 C ATOM 112 CG PRO A 314 0.765 -1.920 -0.755 1.00 0.00 C ATOM 113 CD PRO A 314 0.557 -2.132 0.721 1.00 0.00 C ATOM 0 HA PRO A 314 3.763 -2.779 0.368 1.00 0.00 H new ATOM 0 HB2 PRO A 314 2.573 -1.742 -1.897 1.00 0.00 H new ATOM 0 HB3 PRO A 314 2.225 -3.372 -1.357 1.00 0.00 H new ATOM 0 HG2 PRO A 314 0.596 -0.877 -1.021 1.00 0.00 H new ATOM 0 HG3 PRO A 314 0.057 -2.515 -1.332 1.00 0.00 H new ATOM 0 HD2 PRO A 314 -0.052 -1.339 1.155 1.00 0.00 H new ATOM 0 HD3 PRO A 314 0.044 -3.073 0.920 1.00 0.00 H new ATOM 121 N ILE A 315 4.500 -0.453 -0.753 1.00 0.00 N ATOM 122 CA ILE A 315 5.194 0.875 -0.834 1.00 0.00 C ATOM 123 C ILE A 315 4.457 1.812 -1.791 1.00 0.00 C ATOM 124 O ILE A 315 4.340 2.995 -1.537 1.00 0.00 O ATOM 125 CB ILE A 315 6.601 0.577 -1.364 1.00 0.00 C ATOM 126 CG1 ILE A 315 7.253 -0.519 -0.516 1.00 0.00 C ATOM 127 CG2 ILE A 315 7.458 1.844 -1.295 1.00 0.00 C ATOM 128 CD1 ILE A 315 7.699 -1.658 -1.428 1.00 0.00 C ATOM 0 H ILE A 315 4.771 -1.127 -1.469 1.00 0.00 H new ATOM 0 HA ILE A 315 5.222 1.369 0.137 1.00 0.00 H new ATOM 0 HB ILE A 315 6.527 0.242 -2.398 1.00 0.00 H new ATOM 0 HG12 ILE A 315 8.108 -0.116 0.027 1.00 0.00 H new ATOM 0 HG13 ILE A 315 6.548 -0.888 0.229 1.00 0.00 H new ATOM 0 HG21 ILE A 315 8.457 1.628 -1.673 1.00 0.00 H new ATOM 0 HG22 ILE A 315 7.002 2.626 -1.902 1.00 0.00 H new ATOM 0 HG23 ILE A 315 7.526 2.181 -0.261 1.00 0.00 H new ATOM 0 HD11 ILE A 315 8.164 -2.442 -0.830 1.00 0.00 H new ATOM 0 HD12 ILE A 315 6.834 -2.066 -1.951 1.00 0.00 H new ATOM 0 HD13 ILE A 315 8.418 -1.281 -2.155 1.00 0.00 H new ATOM 140 N TRP A 316 3.964 1.293 -2.887 1.00 0.00 N ATOM 141 CA TRP A 316 3.232 2.156 -3.870 1.00 0.00 C ATOM 142 C TRP A 316 1.988 2.785 -3.225 1.00 0.00 C ATOM 143 O TRP A 316 1.490 3.794 -3.687 1.00 0.00 O ATOM 144 CB TRP A 316 2.850 1.230 -5.038 1.00 0.00 C ATOM 145 CG TRP A 316 1.799 0.249 -4.613 1.00 0.00 C ATOM 146 CD1 TRP A 316 2.041 -1.014 -4.193 1.00 0.00 C ATOM 147 CD2 TRP A 316 0.352 0.423 -4.570 1.00 0.00 C ATOM 148 NE1 TRP A 316 0.836 -1.624 -3.893 1.00 0.00 N ATOM 149 CE2 TRP A 316 -0.234 -0.779 -4.108 1.00 0.00 C ATOM 150 CE3 TRP A 316 -0.500 1.497 -4.882 1.00 0.00 C ATOM 151 CZ2 TRP A 316 -1.615 -0.911 -3.961 1.00 0.00 C ATOM 152 CZ3 TRP A 316 -1.891 1.369 -4.735 1.00 0.00 C ATOM 153 CH2 TRP A 316 -2.447 0.166 -4.276 1.00 0.00 C ATOM 0 H TRP A 316 4.036 0.309 -3.146 1.00 0.00 H new ATOM 0 HA TRP A 316 3.849 2.987 -4.213 1.00 0.00 H new ATOM 0 HB2 TRP A 316 2.483 1.824 -5.875 1.00 0.00 H new ATOM 0 HB3 TRP A 316 3.733 0.696 -5.389 1.00 0.00 H new ATOM 0 HD1 TRP A 316 3.016 -1.471 -4.106 1.00 0.00 H new ATOM 0 HE1 TRP A 316 0.749 -2.582 -3.554 1.00 0.00 H new ATOM 0 HE3 TRP A 316 -0.082 2.427 -5.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 316 -2.038 -1.839 -3.606 1.00 0.00 H new ATOM 0 HZ3 TRP A 316 -2.536 2.201 -4.977 1.00 0.00 H new ATOM 0 HH2 TRP A 316 -3.517 0.072 -4.166 1.00 0.00 H new ATOM 164 N ALA A 317 1.495 2.207 -2.157 1.00 0.00 N ATOM 165 CA ALA A 317 0.297 2.781 -1.474 1.00 0.00 C ATOM 166 C ALA A 317 0.702 3.329 -0.101 1.00 0.00 C ATOM 167 O ALA A 317 0.378 2.764 0.927 1.00 0.00 O ATOM 168 CB ALA A 317 -0.677 1.609 -1.329 1.00 0.00 C ATOM 0 H ALA A 317 1.872 1.361 -1.729 1.00 0.00 H new ATOM 0 HA ALA A 317 -0.150 3.606 -2.029 1.00 0.00 H new ATOM 0 HB1 ALA A 317 -1.586 1.951 -0.834 1.00 0.00 H new ATOM 0 HB2 ALA A 317 -0.926 1.218 -2.316 1.00 0.00 H new ATOM 0 HB3 ALA A 317 -0.214 0.822 -0.734 1.00 0.00 H new ATOM 174 N ARG A 318 1.416 4.429 -0.080 1.00 0.00 N ATOM 175 CA ARG A 318 1.853 5.023 1.221 1.00 0.00 C ATOM 176 C ARG A 318 1.511 6.515 1.265 1.00 0.00 C ATOM 177 O ARG A 318 1.333 7.138 0.236 1.00 0.00 O ATOM 178 CB ARG A 318 3.376 4.841 1.260 1.00 0.00 C ATOM 179 CG ARG A 318 3.736 3.352 1.213 1.00 0.00 C ATOM 180 CD ARG A 318 3.478 2.709 2.577 1.00 0.00 C ATOM 181 NE ARG A 318 4.442 3.358 3.514 1.00 0.00 N ATOM 182 CZ ARG A 318 4.109 3.560 4.764 1.00 0.00 C ATOM 183 NH1 ARG A 318 3.495 2.619 5.434 1.00 0.00 N ATOM 184 NH2 ARG A 318 4.395 4.700 5.343 1.00 0.00 N ATOM 0 H ARG A 318 1.715 4.941 -0.910 1.00 0.00 H new ATOM 0 HA ARG A 318 1.358 4.547 2.068 1.00 0.00 H new ATOM 0 HB2 ARG A 318 3.833 5.359 0.417 1.00 0.00 H new ATOM 0 HB3 ARG A 318 3.780 5.291 2.167 1.00 0.00 H new ATOM 0 HG2 ARG A 318 3.144 2.850 0.447 1.00 0.00 H new ATOM 0 HG3 ARG A 318 4.783 3.231 0.937 1.00 0.00 H new ATOM 0 HD2 ARG A 318 2.449 2.871 2.899 1.00 0.00 H new ATOM 0 HD3 ARG A 318 3.634 1.631 2.538 1.00 0.00 H new ATOM 0 HE ARG A 318 5.362 3.645 3.180 1.00 0.00 H new ATOM 0 HH11 ARG A 318 3.277 1.731 4.982 1.00 0.00 H new ATOM 0 HH12 ARG A 318 3.234 2.774 6.408 1.00 0.00 H new ATOM 0 HH21 ARG A 318 4.877 5.431 4.820 1.00 0.00 H new ATOM 0 HH22 ARG A 318 4.135 4.857 6.317 1.00 0.00 H new ATOM 198 N PRO A 319 1.464 7.050 2.462 1.00 0.00 N ATOM 199 CA PRO A 319 1.178 8.499 2.640 1.00 0.00 C ATOM 200 C PRO A 319 2.352 9.320 2.096 1.00 0.00 C ATOM 201 O PRO A 319 2.175 10.370 1.506 1.00 0.00 O ATOM 202 CB PRO A 319 1.041 8.654 4.153 1.00 0.00 C ATOM 203 CG PRO A 319 1.814 7.509 4.724 1.00 0.00 C ATOM 204 CD PRO A 319 1.676 6.373 3.748 1.00 0.00 C ATOM 0 HA PRO A 319 0.289 8.844 2.112 1.00 0.00 H new ATOM 0 HB2 PRO A 319 1.442 9.610 4.491 1.00 0.00 H new ATOM 0 HB3 PRO A 319 -0.004 8.619 4.462 1.00 0.00 H new ATOM 0 HG2 PRO A 319 2.861 7.778 4.861 1.00 0.00 H new ATOM 0 HG3 PRO A 319 1.426 7.229 5.703 1.00 0.00 H new ATOM 0 HD2 PRO A 319 2.569 5.748 3.730 1.00 0.00 H new ATOM 0 HD3 PRO A 319 0.838 5.724 4.003 1.00 0.00 H new ATOM 212 N ASP A 320 3.546 8.822 2.277 1.00 0.00 N ATOM 213 CA ASP A 320 4.761 9.521 1.766 1.00 0.00 C ATOM 214 C ASP A 320 5.438 8.644 0.698 1.00 0.00 C ATOM 215 O ASP A 320 6.650 8.588 0.601 1.00 0.00 O ATOM 216 CB ASP A 320 5.666 9.689 2.992 1.00 0.00 C ATOM 217 CG ASP A 320 5.020 10.666 3.981 1.00 0.00 C ATOM 218 OD1 ASP A 320 5.184 11.861 3.796 1.00 0.00 O ATOM 219 OD2 ASP A 320 4.375 10.201 4.907 1.00 0.00 O ATOM 0 H ASP A 320 3.733 7.946 2.765 1.00 0.00 H new ATOM 0 HA ASP A 320 4.538 10.482 1.302 1.00 0.00 H new ATOM 0 HB2 ASP A 320 5.827 8.724 3.472 1.00 0.00 H new ATOM 0 HB3 ASP A 320 6.644 10.060 2.686 1.00 0.00 H new ATOM 224 N TYR A 321 4.648 7.954 -0.098 1.00 0.00 N ATOM 225 CA TYR A 321 5.211 7.065 -1.161 1.00 0.00 C ATOM 226 C TYR A 321 6.122 7.857 -2.107 1.00 0.00 C ATOM 227 O TYR A 321 5.861 9.001 -2.430 1.00 0.00 O ATOM 228 CB TYR A 321 3.982 6.519 -1.909 1.00 0.00 C ATOM 229 CG TYR A 321 4.397 5.879 -3.218 1.00 0.00 C ATOM 230 CD1 TYR A 321 5.437 4.941 -3.249 1.00 0.00 C ATOM 231 CD2 TYR A 321 3.736 6.227 -4.401 1.00 0.00 C ATOM 232 CE1 TYR A 321 5.814 4.353 -4.461 1.00 0.00 C ATOM 233 CE2 TYR A 321 4.112 5.639 -5.613 1.00 0.00 C ATOM 234 CZ TYR A 321 5.152 4.703 -5.644 1.00 0.00 C ATOM 235 OH TYR A 321 5.523 4.127 -6.843 1.00 0.00 O ATOM 0 H TYR A 321 3.629 7.972 -0.053 1.00 0.00 H new ATOM 0 HA TYR A 321 5.825 6.266 -0.746 1.00 0.00 H new ATOM 0 HB2 TYR A 321 3.466 5.787 -1.287 1.00 0.00 H new ATOM 0 HB3 TYR A 321 3.277 7.328 -2.101 1.00 0.00 H new ATOM 0 HD1 TYR A 321 5.948 4.672 -2.337 1.00 0.00 H new ATOM 0 HD2 TYR A 321 2.934 6.951 -4.378 1.00 0.00 H new ATOM 0 HE1 TYR A 321 6.615 3.629 -4.484 1.00 0.00 H new ATOM 0 HE2 TYR A 321 3.600 5.907 -6.525 1.00 0.00 H new ATOM 0 HH TYR A 321 4.961 4.481 -7.564 1.00 0.00 H new ATOM 245 N ASN A 322 7.189 7.238 -2.546 1.00 0.00 N ATOM 246 CA ASN A 322 8.148 7.915 -3.478 1.00 0.00 C ATOM 247 C ASN A 322 7.415 8.420 -4.730 1.00 0.00 C ATOM 248 O ASN A 322 6.471 7.802 -5.181 1.00 0.00 O ATOM 249 CB ASN A 322 9.167 6.836 -3.861 1.00 0.00 C ATOM 250 CG ASN A 322 9.903 6.345 -2.610 1.00 0.00 C ATOM 251 OD1 ASN A 322 10.695 7.066 -2.037 1.00 0.00 O ATOM 252 ND2 ASN A 322 9.674 5.139 -2.158 1.00 0.00 N ATOM 0 H ASN A 322 7.441 6.282 -2.297 1.00 0.00 H new ATOM 0 HA ASN A 322 8.621 8.780 -3.014 1.00 0.00 H new ATOM 0 HB2 ASN A 322 8.661 6.002 -4.347 1.00 0.00 H new ATOM 0 HB3 ASN A 322 9.882 7.237 -4.580 1.00 0.00 H new ATOM 0 HD21 ASN A 322 10.160 4.805 -1.326 1.00 0.00 H new ATOM 0 HD22 ASN A 322 9.009 4.532 -2.638 1.00 0.00 H new ATOM 259 N PRO A 323 7.878 9.534 -5.249 1.00 0.00 N ATOM 260 CA PRO A 323 7.252 10.126 -6.461 1.00 0.00 C ATOM 261 C PRO A 323 7.586 9.289 -7.707 1.00 0.00 C ATOM 262 O PRO A 323 8.731 9.224 -8.119 1.00 0.00 O ATOM 263 CB PRO A 323 7.885 11.514 -6.548 1.00 0.00 C ATOM 264 CG PRO A 323 9.188 11.393 -5.827 1.00 0.00 C ATOM 265 CD PRO A 323 9.010 10.337 -4.767 1.00 0.00 C ATOM 0 HA PRO A 323 6.164 10.161 -6.407 1.00 0.00 H new ATOM 0 HB2 PRO A 323 8.035 11.815 -7.585 1.00 0.00 H new ATOM 0 HB3 PRO A 323 7.247 12.268 -6.086 1.00 0.00 H new ATOM 0 HG2 PRO A 323 9.986 11.116 -6.516 1.00 0.00 H new ATOM 0 HG3 PRO A 323 9.470 12.346 -5.379 1.00 0.00 H new ATOM 0 HD2 PRO A 323 9.909 9.731 -4.653 1.00 0.00 H new ATOM 0 HD3 PRO A 323 8.799 10.780 -3.794 1.00 0.00 H new ATOM 273 N PRO A 324 6.570 8.672 -8.268 1.00 0.00 N ATOM 274 CA PRO A 324 6.762 7.832 -9.478 1.00 0.00 C ATOM 275 C PRO A 324 6.968 8.708 -10.723 1.00 0.00 C ATOM 276 O PRO A 324 7.064 9.919 -10.634 1.00 0.00 O ATOM 277 CB PRO A 324 5.459 7.042 -9.578 1.00 0.00 C ATOM 278 CG PRO A 324 4.438 7.873 -8.867 1.00 0.00 C ATOM 279 CD PRO A 324 5.165 8.695 -7.832 1.00 0.00 C ATOM 0 HA PRO A 324 7.641 7.191 -9.414 1.00 0.00 H new ATOM 0 HB2 PRO A 324 5.177 6.878 -10.618 1.00 0.00 H new ATOM 0 HB3 PRO A 324 5.558 6.060 -9.116 1.00 0.00 H new ATOM 0 HG2 PRO A 324 3.912 8.519 -9.570 1.00 0.00 H new ATOM 0 HG3 PRO A 324 3.688 7.238 -8.395 1.00 0.00 H new ATOM 0 HD2 PRO A 324 4.779 9.713 -7.790 1.00 0.00 H new ATOM 0 HD3 PRO A 324 5.051 8.270 -6.835 1.00 0.00 H new ATOM 287 N LEU A 325 7.035 8.101 -11.882 1.00 0.00 N ATOM 288 CA LEU A 325 7.238 8.890 -13.140 1.00 0.00 C ATOM 289 C LEU A 325 5.975 9.689 -13.488 1.00 0.00 C ATOM 290 O LEU A 325 4.893 9.404 -13.003 1.00 0.00 O ATOM 291 CB LEU A 325 7.534 7.851 -14.229 1.00 0.00 C ATOM 292 CG LEU A 325 8.871 8.177 -14.903 1.00 0.00 C ATOM 293 CD1 LEU A 325 9.991 7.377 -14.232 1.00 0.00 C ATOM 294 CD2 LEU A 325 8.799 7.805 -16.386 1.00 0.00 C ATOM 0 H LEU A 325 6.958 7.092 -12.013 1.00 0.00 H new ATOM 0 HA LEU A 325 8.048 9.612 -13.037 1.00 0.00 H new ATOM 0 HB2 LEU A 325 7.569 6.853 -13.793 1.00 0.00 H new ATOM 0 HB3 LEU A 325 6.734 7.847 -14.969 1.00 0.00 H new ATOM 0 HG LEU A 325 9.076 9.243 -14.804 1.00 0.00 H new ATOM 0 HD11 LEU A 325 10.942 7.609 -14.712 1.00 0.00 H new ATOM 0 HD12 LEU A 325 10.044 7.640 -13.176 1.00 0.00 H new ATOM 0 HD13 LEU A 325 9.786 6.311 -14.330 1.00 0.00 H new ATOM 0 HD21 LEU A 325 9.750 8.037 -16.866 1.00 0.00 H new ATOM 0 HD22 LEU A 325 8.593 6.739 -16.484 1.00 0.00 H new ATOM 0 HD23 LEU A 325 8.002 8.374 -16.866 1.00 0.00 H new ATOM 306 N LEU A 326 6.107 10.688 -14.327 1.00 0.00 N ATOM 307 CA LEU A 326 4.920 11.514 -14.715 1.00 0.00 C ATOM 308 C LEU A 326 4.543 11.263 -16.185 1.00 0.00 C ATOM 309 O LEU A 326 4.043 12.143 -16.863 1.00 0.00 O ATOM 310 CB LEU A 326 5.370 12.971 -14.517 1.00 0.00 C ATOM 311 CG LEU A 326 4.869 13.507 -13.168 1.00 0.00 C ATOM 312 CD1 LEU A 326 3.347 13.370 -13.082 1.00 0.00 C ATOM 313 CD2 LEU A 326 5.517 12.720 -12.026 1.00 0.00 C ATOM 0 H LEU A 326 6.987 10.968 -14.761 1.00 0.00 H new ATOM 0 HA LEU A 326 4.040 11.270 -14.120 1.00 0.00 H new ATOM 0 HB2 LEU A 326 6.458 13.031 -14.558 1.00 0.00 H new ATOM 0 HB3 LEU A 326 4.985 13.590 -15.327 1.00 0.00 H new ATOM 0 HG LEU A 326 5.140 14.560 -13.084 1.00 0.00 H new ATOM 0 HD11 LEU A 326 3.001 13.753 -12.122 1.00 0.00 H new ATOM 0 HD12 LEU A 326 2.884 13.940 -13.888 1.00 0.00 H new ATOM 0 HD13 LEU A 326 3.070 12.320 -13.175 1.00 0.00 H new ATOM 0 HD21 LEU A 326 5.159 13.104 -11.071 1.00 0.00 H new ATOM 0 HD22 LEU A 326 5.254 11.666 -12.115 1.00 0.00 H new ATOM 0 HD23 LEU A 326 6.600 12.829 -12.078 1.00 0.00 H new ATOM 325 N GLU A 327 4.774 10.070 -16.682 1.00 0.00 N ATOM 326 CA GLU A 327 4.429 9.762 -18.106 1.00 0.00 C ATOM 327 C GLU A 327 3.860 8.338 -18.228 1.00 0.00 C ATOM 328 O GLU A 327 2.984 8.140 -19.057 1.00 0.00 O ATOM 329 CB GLU A 327 5.754 9.883 -18.870 1.00 0.00 C ATOM 330 CG GLU A 327 5.930 11.321 -19.376 1.00 0.00 C ATOM 331 CD GLU A 327 7.387 11.762 -19.198 1.00 0.00 C ATOM 332 OE1 GLU A 327 7.749 12.109 -18.085 1.00 0.00 O ATOM 333 OE2 GLU A 327 8.113 11.753 -20.181 1.00 0.00 O ATOM 334 OXT GLU A 327 4.308 7.470 -17.490 1.00 0.00 O ATOM 0 H GLU A 327 5.187 9.296 -16.162 1.00 0.00 H new ATOM 0 HA GLU A 327 3.668 10.436 -18.499 1.00 0.00 H new ATOM 0 HB2 GLU A 327 6.586 9.612 -18.220 1.00 0.00 H new ATOM 0 HB3 GLU A 327 5.766 9.188 -19.709 1.00 0.00 H new ATOM 0 HG2 GLU A 327 5.648 11.383 -20.427 1.00 0.00 H new ATOM 0 HG3 GLU A 327 5.268 11.992 -18.828 1.00 0.00 H new TER 341 GLU A 327