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+ 180:sc= 0 (180deg=0) USER MOD Single : A 313 MET CE :methyl 161:sc= -0.0118 (180deg=-0.523) USER MOD Single : A 321 TYR OH : rot 130:sc= -0.248 USER MOD Single : A 322 ASN : amide:sc= -0.0979 X(o=-0.098,f=-0.51) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 308 14.516 -1.605 6.341 1.00 0.00 N ATOM 2 CA LYS A 308 14.372 -2.432 7.581 1.00 0.00 C ATOM 3 C LYS A 308 13.064 -2.082 8.304 1.00 0.00 C ATOM 4 O LYS A 308 12.630 -0.946 8.297 1.00 0.00 O ATOM 5 CB LYS A 308 15.588 -2.086 8.456 1.00 0.00 C ATOM 6 CG LYS A 308 15.616 -0.582 8.769 1.00 0.00 C ATOM 7 CD LYS A 308 15.806 -0.371 10.274 1.00 0.00 C ATOM 8 CE LYS A 308 17.142 0.339 10.528 1.00 0.00 C ATOM 9 NZ LYS A 308 17.378 0.215 11.995 1.00 0.00 N ATOM 0 HA LYS A 308 14.335 -3.498 7.356 1.00 0.00 H new ATOM 0 HB2 LYS A 308 15.549 -2.656 9.384 1.00 0.00 H new ATOM 0 HB3 LYS A 308 16.506 -2.374 7.943 1.00 0.00 H new ATOM 0 HG2 LYS A 308 16.426 -0.102 8.220 1.00 0.00 H new ATOM 0 HG3 LYS A 308 14.687 -0.115 8.441 1.00 0.00 H new ATOM 0 HD2 LYS A 308 14.985 0.223 10.675 1.00 0.00 H new ATOM 0 HD3 LYS A 308 15.788 -1.330 10.791 1.00 0.00 H new ATOM 0 HE2 LYS A 308 17.948 -0.124 9.959 1.00 0.00 H new ATOM 0 HE3 LYS A 308 17.096 1.385 10.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 308 18.275 0.678 12.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 308 16.599 0.671 12.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 308 17.424 -0.791 12.255 1.00 0.00 H new ATOM 22 N PHE A 309 12.438 -3.058 8.927 1.00 0.00 N ATOM 23 CA PHE A 309 11.151 -2.810 9.659 1.00 0.00 C ATOM 24 C PHE A 309 10.090 -2.224 8.710 1.00 0.00 C ATOM 25 O PHE A 309 9.901 -1.022 8.654 1.00 0.00 O ATOM 26 CB PHE A 309 11.500 -1.816 10.777 1.00 0.00 C ATOM 27 CG PHE A 309 11.012 -2.353 12.102 1.00 0.00 C ATOM 28 CD1 PHE A 309 9.655 -2.272 12.435 1.00 0.00 C ATOM 29 CD2 PHE A 309 11.919 -2.934 12.998 1.00 0.00 C ATOM 30 CE1 PHE A 309 9.205 -2.770 13.664 1.00 0.00 C ATOM 31 CE2 PHE A 309 11.469 -3.431 14.226 1.00 0.00 C ATOM 32 CZ PHE A 309 10.111 -3.349 14.559 1.00 0.00 C ATOM 0 H PHE A 309 12.767 -4.023 8.959 1.00 0.00 H new ATOM 0 HA PHE A 309 10.729 -3.731 10.061 1.00 0.00 H new ATOM 0 HB2 PHE A 309 12.578 -1.656 10.812 1.00 0.00 H new ATOM 0 HB3 PHE A 309 11.041 -0.848 10.574 1.00 0.00 H new ATOM 0 HD1 PHE A 309 8.955 -1.826 11.744 1.00 0.00 H new ATOM 0 HD2 PHE A 309 12.966 -2.998 12.741 1.00 0.00 H new ATOM 0 HE1 PHE A 309 8.158 -2.707 13.921 1.00 0.00 H new ATOM 0 HE2 PHE A 309 12.169 -3.878 14.917 1.00 0.00 H new ATOM 0 HZ PHE A 309 9.763 -3.733 15.507 1.00 0.00 H new ATOM 42 N PRO A 310 9.427 -3.101 7.991 1.00 0.00 N ATOM 43 CA PRO A 310 8.373 -2.664 7.035 1.00 0.00 C ATOM 44 C PRO A 310 7.117 -2.204 7.789 1.00 0.00 C ATOM 45 O PRO A 310 6.850 -2.645 8.891 1.00 0.00 O ATOM 46 CB PRO A 310 8.091 -3.919 6.214 1.00 0.00 C ATOM 47 CG PRO A 310 8.490 -5.061 7.096 1.00 0.00 C ATOM 48 CD PRO A 310 9.591 -4.562 7.997 1.00 0.00 C ATOM 0 HA PRO A 310 8.678 -1.818 6.419 1.00 0.00 H new ATOM 0 HB2 PRO A 310 7.038 -3.982 5.940 1.00 0.00 H new ATOM 0 HB3 PRO A 310 8.663 -3.919 5.286 1.00 0.00 H new ATOM 0 HG2 PRO A 310 7.640 -5.409 7.683 1.00 0.00 H new ATOM 0 HG3 PRO A 310 8.834 -5.906 6.500 1.00 0.00 H new ATOM 0 HD2 PRO A 310 9.497 -4.969 9.004 1.00 0.00 H new ATOM 0 HD3 PRO A 310 10.573 -4.854 7.625 1.00 0.00 H new ATOM 56 N ARG A 311 6.345 -1.324 7.200 1.00 0.00 N ATOM 57 CA ARG A 311 5.105 -0.835 7.880 1.00 0.00 C ATOM 58 C ARG A 311 3.886 -1.643 7.407 1.00 0.00 C ATOM 59 O ARG A 311 4.017 -2.617 6.689 1.00 0.00 O ATOM 60 CB ARG A 311 4.979 0.638 7.470 1.00 0.00 C ATOM 61 CG ARG A 311 5.638 1.524 8.535 1.00 0.00 C ATOM 62 CD ARG A 311 7.006 2.002 8.038 1.00 0.00 C ATOM 63 NE ARG A 311 7.616 2.718 9.198 1.00 0.00 N ATOM 64 CZ ARG A 311 8.838 2.437 9.572 1.00 0.00 C ATOM 65 NH1 ARG A 311 9.853 3.006 8.971 1.00 0.00 N ATOM 66 NH2 ARG A 311 9.045 1.588 10.545 1.00 0.00 N ATOM 0 H ARG A 311 6.520 -0.923 6.278 1.00 0.00 H new ATOM 0 HA ARG A 311 5.154 -0.948 8.963 1.00 0.00 H new ATOM 0 HB2 ARG A 311 5.455 0.799 6.503 1.00 0.00 H new ATOM 0 HB3 ARG A 311 3.929 0.907 7.357 1.00 0.00 H new ATOM 0 HG2 ARG A 311 5.001 2.381 8.754 1.00 0.00 H new ATOM 0 HG3 ARG A 311 5.753 0.967 9.465 1.00 0.00 H new ATOM 0 HD2 ARG A 311 7.626 1.162 7.723 1.00 0.00 H new ATOM 0 HD3 ARG A 311 6.903 2.663 7.177 1.00 0.00 H new ATOM 0 HE ARG A 311 7.080 3.426 9.699 1.00 0.00 H new ATOM 0 HH11 ARG A 311 9.691 3.668 8.212 1.00 0.00 H new ATOM 0 HH12 ARG A 311 10.806 2.787 9.262 1.00 0.00 H new ATOM 0 HH21 ARG A 311 8.254 1.145 11.012 1.00 0.00 H new ATOM 0 HH22 ARG A 311 9.998 1.369 10.837 1.00 0.00 H new ATOM 80 N ALA A 312 2.701 -1.248 7.811 1.00 0.00 N ATOM 81 CA ALA A 312 1.471 -1.996 7.392 1.00 0.00 C ATOM 82 C ALA A 312 0.915 -1.440 6.069 1.00 0.00 C ATOM 83 O ALA A 312 -0.283 -1.361 5.878 1.00 0.00 O ATOM 84 CB ALA A 312 0.471 -1.784 8.533 1.00 0.00 C ATOM 0 H ALA A 312 2.532 -0.441 8.412 1.00 0.00 H new ATOM 0 HA ALA A 312 1.676 -3.052 7.218 1.00 0.00 H new ATOM 0 HB1 ALA A 312 -0.460 -2.302 8.302 1.00 0.00 H new ATOM 0 HB2 ALA A 312 0.887 -2.180 9.459 1.00 0.00 H new ATOM 0 HB3 ALA A 312 0.273 -0.718 8.650 1.00 0.00 H new ATOM 90 N MET A 313 1.779 -1.066 5.156 1.00 0.00 N ATOM 91 CA MET A 313 1.316 -0.524 3.841 1.00 0.00 C ATOM 92 C MET A 313 2.307 -0.932 2.741 1.00 0.00 C ATOM 93 O MET A 313 3.475 -1.146 3.016 1.00 0.00 O ATOM 94 CB MET A 313 1.302 0.999 4.012 1.00 0.00 C ATOM 95 CG MET A 313 -0.051 1.450 4.573 1.00 0.00 C ATOM 96 SD MET A 313 -1.329 1.261 3.304 1.00 0.00 S ATOM 97 CE MET A 313 -2.546 0.397 4.328 1.00 0.00 C ATOM 0 H MET A 313 2.792 -1.114 5.267 1.00 0.00 H new ATOM 0 HA MET A 313 0.335 -0.903 3.556 1.00 0.00 H new ATOM 0 HB2 MET A 313 2.104 1.305 4.684 1.00 0.00 H new ATOM 0 HB3 MET A 313 1.487 1.483 3.053 1.00 0.00 H new ATOM 0 HG2 MET A 313 -0.307 0.858 5.452 1.00 0.00 H new ATOM 0 HG3 MET A 313 0.006 2.490 4.894 1.00 0.00 H new ATOM 0 HE1 MET A 313 -3.530 0.474 3.867 1.00 0.00 H new ATOM 0 HE2 MET A 313 -2.268 -0.653 4.416 1.00 0.00 H new ATOM 0 HE3 MET A 313 -2.574 0.849 5.320 1.00 0.00 H new ATOM 107 N PRO A 314 1.815 -1.027 1.528 1.00 0.00 N ATOM 108 CA PRO A 314 2.681 -1.417 0.384 1.00 0.00 C ATOM 109 C PRO A 314 3.678 -0.303 0.038 1.00 0.00 C ATOM 110 O PRO A 314 3.630 0.782 0.585 1.00 0.00 O ATOM 111 CB PRO A 314 1.696 -1.644 -0.757 1.00 0.00 C ATOM 112 CG PRO A 314 0.498 -0.826 -0.399 1.00 0.00 C ATOM 113 CD PRO A 314 0.429 -0.785 1.105 1.00 0.00 C ATOM 0 HA PRO A 314 3.288 -2.297 0.598 1.00 0.00 H new ATOM 0 HB2 PRO A 314 2.118 -1.330 -1.712 1.00 0.00 H new ATOM 0 HB3 PRO A 314 1.440 -2.699 -0.854 1.00 0.00 H new ATOM 0 HG2 PRO A 314 0.581 0.180 -0.809 1.00 0.00 H new ATOM 0 HG3 PRO A 314 -0.408 -1.266 -0.815 1.00 0.00 H new ATOM 0 HD2 PRO A 314 0.064 0.178 1.462 1.00 0.00 H new ATOM 0 HD3 PRO A 314 -0.247 -1.546 1.495 1.00 0.00 H new ATOM 121 N ILE A 315 4.582 -0.577 -0.865 1.00 0.00 N ATOM 122 CA ILE A 315 5.607 0.450 -1.258 1.00 0.00 C ATOM 123 C ILE A 315 5.041 1.460 -2.267 1.00 0.00 C ATOM 124 O ILE A 315 5.623 2.504 -2.501 1.00 0.00 O ATOM 125 CB ILE A 315 6.752 -0.363 -1.884 1.00 0.00 C ATOM 126 CG1 ILE A 315 8.029 0.483 -1.915 1.00 0.00 C ATOM 127 CG2 ILE A 315 6.386 -0.776 -3.315 1.00 0.00 C ATOM 128 CD1 ILE A 315 8.346 0.981 -0.505 1.00 0.00 C ATOM 0 H ILE A 315 4.660 -1.470 -1.352 1.00 0.00 H new ATOM 0 HA ILE A 315 5.933 1.041 -0.402 1.00 0.00 H new ATOM 0 HB ILE A 315 6.917 -1.257 -1.283 1.00 0.00 H new ATOM 0 HG12 ILE A 315 8.860 -0.108 -2.299 1.00 0.00 H new ATOM 0 HG13 ILE A 315 7.901 1.329 -2.591 1.00 0.00 H new ATOM 0 HG21 ILE A 315 7.204 -1.351 -3.748 1.00 0.00 H new ATOM 0 HG22 ILE A 315 5.483 -1.386 -3.298 1.00 0.00 H new ATOM 0 HG23 ILE A 315 6.210 0.115 -3.917 1.00 0.00 H new ATOM 0 HD11 ILE A 315 9.255 1.583 -0.527 1.00 0.00 H new ATOM 0 HD12 ILE A 315 7.518 1.588 -0.139 1.00 0.00 H new ATOM 0 HD13 ILE A 315 8.492 0.128 0.158 1.00 0.00 H new ATOM 140 N TRP A 316 3.924 1.154 -2.861 1.00 0.00 N ATOM 141 CA TRP A 316 3.312 2.081 -3.862 1.00 0.00 C ATOM 142 C TRP A 316 2.037 2.733 -3.303 1.00 0.00 C ATOM 143 O TRP A 316 1.517 3.671 -3.875 1.00 0.00 O ATOM 144 CB TRP A 316 2.988 1.198 -5.078 1.00 0.00 C ATOM 145 CG TRP A 316 2.044 0.108 -4.674 1.00 0.00 C ATOM 146 CD1 TRP A 316 2.412 -1.125 -4.253 1.00 0.00 C ATOM 147 CD2 TRP A 316 0.591 0.140 -4.634 1.00 0.00 C ATOM 148 NE1 TRP A 316 1.273 -1.853 -3.958 1.00 0.00 N ATOM 149 CE2 TRP A 316 0.124 -1.115 -4.179 1.00 0.00 C ATOM 150 CE3 TRP A 316 -0.359 1.128 -4.948 1.00 0.00 C ATOM 151 CZ2 TRP A 316 -1.239 -1.379 -4.038 1.00 0.00 C ATOM 152 CZ3 TRP A 316 -1.729 0.866 -4.807 1.00 0.00 C ATOM 153 CH2 TRP A 316 -2.169 -0.384 -4.353 1.00 0.00 C ATOM 0 H TRP A 316 3.401 0.294 -2.697 1.00 0.00 H new ATOM 0 HA TRP A 316 3.983 2.900 -4.120 1.00 0.00 H new ATOM 0 HB2 TRP A 316 2.544 1.802 -5.870 1.00 0.00 H new ATOM 0 HB3 TRP A 316 3.905 0.767 -5.481 1.00 0.00 H new ATOM 0 HD1 TRP A 316 3.427 -1.482 -4.162 1.00 0.00 H new ATOM 0 HE1 TRP A 316 1.280 -2.815 -3.619 1.00 0.00 H new ATOM 0 HE3 TRP A 316 -0.031 2.095 -5.300 1.00 0.00 H new ATOM 0 HZ2 TRP A 316 -1.573 -2.345 -3.688 1.00 0.00 H new ATOM 0 HZ3 TRP A 316 -2.450 1.633 -5.050 1.00 0.00 H new ATOM 0 HH2 TRP A 316 -3.226 -0.579 -4.246 1.00 0.00 H new ATOM 164 N ALA A 317 1.535 2.248 -2.193 1.00 0.00 N ATOM 165 CA ALA A 317 0.299 2.846 -1.603 1.00 0.00 C ATOM 166 C ALA A 317 0.538 3.197 -0.128 1.00 0.00 C ATOM 167 O ALA A 317 0.052 2.532 0.769 1.00 0.00 O ATOM 168 CB ALA A 317 -0.778 1.766 -1.746 1.00 0.00 C ATOM 0 H ALA A 317 1.928 1.465 -1.671 1.00 0.00 H new ATOM 0 HA ALA A 317 0.004 3.770 -2.101 1.00 0.00 H new ATOM 0 HB1 ALA A 317 -1.718 2.133 -1.333 1.00 0.00 H new ATOM 0 HB2 ALA A 317 -0.914 1.525 -2.800 1.00 0.00 H new ATOM 0 HB3 ALA A 317 -0.470 0.871 -1.206 1.00 0.00 H new ATOM 174 N ARG A 318 1.286 4.242 0.127 1.00 0.00 N ATOM 175 CA ARG A 318 1.564 4.656 1.535 1.00 0.00 C ATOM 176 C ARG A 318 1.199 6.133 1.729 1.00 0.00 C ATOM 177 O ARG A 318 1.084 6.871 0.767 1.00 0.00 O ATOM 178 CB ARG A 318 3.074 4.465 1.710 1.00 0.00 C ATOM 179 CG ARG A 318 3.354 3.159 2.456 1.00 0.00 C ATOM 180 CD ARG A 318 4.842 2.816 2.329 1.00 0.00 C ATOM 181 NE ARG A 318 5.130 1.877 3.452 1.00 0.00 N ATOM 182 CZ ARG A 318 6.201 1.128 3.420 1.00 0.00 C ATOM 183 NH1 ARG A 318 7.387 1.683 3.366 1.00 0.00 N ATOM 184 NH2 ARG A 318 6.085 -0.174 3.437 1.00 0.00 N ATOM 0 H ARG A 318 1.718 4.829 -0.586 1.00 0.00 H new ATOM 0 HA ARG A 318 0.986 4.079 2.257 1.00 0.00 H new ATOM 0 HB2 ARG A 318 3.562 4.448 0.735 1.00 0.00 H new ATOM 0 HB3 ARG A 318 3.494 5.306 2.262 1.00 0.00 H new ATOM 0 HG2 ARG A 318 3.080 3.260 3.506 1.00 0.00 H new ATOM 0 HG3 ARG A 318 2.746 2.353 2.044 1.00 0.00 H new ATOM 0 HD2 ARG A 318 5.058 2.354 1.366 1.00 0.00 H new ATOM 0 HD3 ARG A 318 5.459 3.712 2.398 1.00 0.00 H new ATOM 0 HE ARG A 318 4.491 1.819 4.245 1.00 0.00 H new ATOM 0 HH11 ARG A 318 7.474 2.699 3.349 1.00 0.00 H new ATOM 0 HH12 ARG A 318 8.223 1.099 3.341 1.00 0.00 H new ATOM 0 HH21 ARG A 318 5.160 -0.603 3.475 1.00 0.00 H new ATOM 0 HH22 ARG A 318 6.919 -0.761 3.412 1.00 0.00 H new ATOM 198 N PRO A 319 1.057 6.528 2.972 1.00 0.00 N ATOM 199 CA PRO A 319 0.735 7.946 3.290 1.00 0.00 C ATOM 200 C PRO A 319 1.932 8.832 2.927 1.00 0.00 C ATOM 201 O PRO A 319 1.782 9.927 2.419 1.00 0.00 O ATOM 202 CB PRO A 319 0.482 7.928 4.796 1.00 0.00 C ATOM 203 CG PRO A 319 1.228 6.731 5.293 1.00 0.00 C ATOM 204 CD PRO A 319 1.186 5.712 4.188 1.00 0.00 C ATOM 0 HA PRO A 319 -0.119 8.343 2.740 1.00 0.00 H new ATOM 0 HB2 PRO A 319 0.841 8.842 5.269 1.00 0.00 H new ATOM 0 HB3 PRO A 319 -0.582 7.851 5.018 1.00 0.00 H new ATOM 0 HG2 PRO A 319 2.257 6.991 5.542 1.00 0.00 H new ATOM 0 HG3 PRO A 319 0.770 6.338 6.201 1.00 0.00 H new ATOM 0 HD2 PRO A 319 2.090 5.104 4.169 1.00 0.00 H new ATOM 0 HD3 PRO A 319 0.345 5.029 4.304 1.00 0.00 H new ATOM 212 N ASP A 320 3.117 8.335 3.163 1.00 0.00 N ATOM 213 CA ASP A 320 4.356 9.091 2.819 1.00 0.00 C ATOM 214 C ASP A 320 5.041 8.404 1.626 1.00 0.00 C ATOM 215 O ASP A 320 6.247 8.244 1.600 1.00 0.00 O ATOM 216 CB ASP A 320 5.228 9.017 4.078 1.00 0.00 C ATOM 217 CG ASP A 320 6.128 10.252 4.153 1.00 0.00 C ATOM 218 OD1 ASP A 320 5.692 11.247 4.711 1.00 0.00 O ATOM 219 OD2 ASP A 320 7.238 10.184 3.651 1.00 0.00 O ATOM 0 H ASP A 320 3.281 7.422 3.587 1.00 0.00 H new ATOM 0 HA ASP A 320 4.166 10.126 2.534 1.00 0.00 H new ATOM 0 HB2 ASP A 320 4.598 8.959 4.966 1.00 0.00 H new ATOM 0 HB3 ASP A 320 5.836 8.112 4.059 1.00 0.00 H new ATOM 224 N TYR A 321 4.259 7.977 0.655 1.00 0.00 N ATOM 225 CA TYR A 321 4.812 7.273 -0.549 1.00 0.00 C ATOM 226 C TYR A 321 6.145 7.885 -0.997 1.00 0.00 C ATOM 227 O TYR A 321 6.228 9.054 -1.326 1.00 0.00 O ATOM 228 CB TYR A 321 3.745 7.455 -1.637 1.00 0.00 C ATOM 229 CG TYR A 321 4.238 6.877 -2.945 1.00 0.00 C ATOM 230 CD1 TYR A 321 4.687 5.552 -3.004 1.00 0.00 C ATOM 231 CD2 TYR A 321 4.246 7.668 -4.100 1.00 0.00 C ATOM 232 CE1 TYR A 321 5.142 5.021 -4.215 1.00 0.00 C ATOM 233 CE2 TYR A 321 4.701 7.136 -5.311 1.00 0.00 C ATOM 234 CZ TYR A 321 5.148 5.811 -5.368 1.00 0.00 C ATOM 235 OH TYR A 321 5.595 5.284 -6.561 1.00 0.00 O ATOM 0 H TYR A 321 3.245 8.090 0.649 1.00 0.00 H new ATOM 0 HA TYR A 321 5.019 6.224 -0.338 1.00 0.00 H new ATOM 0 HB2 TYR A 321 2.820 6.962 -1.337 1.00 0.00 H new ATOM 0 HB3 TYR A 321 3.516 8.514 -1.761 1.00 0.00 H new ATOM 0 HD1 TYR A 321 4.682 4.940 -2.114 1.00 0.00 H new ATOM 0 HD2 TYR A 321 3.900 8.690 -4.056 1.00 0.00 H new ATOM 0 HE1 TYR A 321 5.489 3.999 -4.259 1.00 0.00 H new ATOM 0 HE2 TYR A 321 4.707 7.747 -6.201 1.00 0.00 H new ATOM 0 HH TYR A 321 4.936 5.461 -7.264 1.00 0.00 H new ATOM 245 N ASN A 322 7.185 7.089 -1.007 1.00 0.00 N ATOM 246 CA ASN A 322 8.529 7.596 -1.429 1.00 0.00 C ATOM 247 C ASN A 322 8.502 8.028 -2.905 1.00 0.00 C ATOM 248 O ASN A 322 7.699 7.540 -3.677 1.00 0.00 O ATOM 249 CB ASN A 322 9.492 6.416 -1.225 1.00 0.00 C ATOM 250 CG ASN A 322 9.187 5.301 -2.235 1.00 0.00 C ATOM 251 OD1 ASN A 322 9.653 5.337 -3.356 1.00 0.00 O ATOM 252 ND2 ASN A 322 8.423 4.303 -1.883 1.00 0.00 N ATOM 0 H ASN A 322 7.162 6.105 -0.740 1.00 0.00 H new ATOM 0 HA ASN A 322 8.834 8.469 -0.853 1.00 0.00 H new ATOM 0 HB2 ASN A 322 10.522 6.753 -1.344 1.00 0.00 H new ATOM 0 HB3 ASN A 322 9.398 6.032 -0.209 1.00 0.00 H new ATOM 0 HD21 ASN A 322 8.219 3.557 -2.548 1.00 0.00 H new ATOM 0 HD22 ASN A 322 8.030 4.269 -0.943 1.00 0.00 H new ATOM 259 N PRO A 323 9.389 8.936 -3.245 1.00 0.00 N ATOM 260 CA PRO A 323 9.469 9.437 -4.641 1.00 0.00 C ATOM 261 C PRO A 323 10.102 8.377 -5.558 1.00 0.00 C ATOM 262 O PRO A 323 11.255 8.022 -5.386 1.00 0.00 O ATOM 263 CB PRO A 323 10.365 10.668 -4.530 1.00 0.00 C ATOM 264 CG PRO A 323 11.196 10.436 -3.306 1.00 0.00 C ATOM 265 CD PRO A 323 10.386 9.574 -2.373 1.00 0.00 C ATOM 0 HA PRO A 323 8.494 9.664 -5.071 1.00 0.00 H new ATOM 0 HB2 PRO A 323 10.990 10.782 -5.415 1.00 0.00 H new ATOM 0 HB3 PRO A 323 9.774 11.579 -4.438 1.00 0.00 H new ATOM 0 HG2 PRO A 323 12.134 9.946 -3.565 1.00 0.00 H new ATOM 0 HG3 PRO A 323 11.452 11.383 -2.830 1.00 0.00 H new ATOM 0 HD2 PRO A 323 11.010 8.833 -1.873 1.00 0.00 H new ATOM 0 HD3 PRO A 323 9.910 10.169 -1.593 1.00 0.00 H new ATOM 273 N PRO A 324 9.322 7.901 -6.504 1.00 0.00 N ATOM 274 CA PRO A 324 9.815 6.869 -7.452 1.00 0.00 C ATOM 275 C PRO A 324 10.751 7.485 -8.502 1.00 0.00 C ATOM 276 O PRO A 324 11.019 8.673 -8.494 1.00 0.00 O ATOM 277 CB PRO A 324 8.542 6.346 -8.109 1.00 0.00 C ATOM 278 CG PRO A 324 7.549 7.457 -7.986 1.00 0.00 C ATOM 279 CD PRO A 324 7.925 8.271 -6.774 1.00 0.00 C ATOM 0 HA PRO A 324 10.393 6.088 -6.958 1.00 0.00 H new ATOM 0 HB2 PRO A 324 8.716 6.088 -9.154 1.00 0.00 H new ATOM 0 HB3 PRO A 324 8.186 5.443 -7.613 1.00 0.00 H new ATOM 0 HG2 PRO A 324 7.556 8.078 -8.882 1.00 0.00 H new ATOM 0 HG3 PRO A 324 6.540 7.059 -7.882 1.00 0.00 H new ATOM 0 HD2 PRO A 324 7.827 9.339 -6.967 1.00 0.00 H new ATOM 0 HD3 PRO A 324 7.282 8.040 -5.925 1.00 0.00 H new ATOM 287 N LEU A 325 11.244 6.677 -9.405 1.00 0.00 N ATOM 288 CA LEU A 325 12.165 7.194 -10.464 1.00 0.00 C ATOM 289 C LEU A 325 11.705 6.718 -11.846 1.00 0.00 C ATOM 290 O LEU A 325 11.276 5.591 -12.010 1.00 0.00 O ATOM 291 CB LEU A 325 13.538 6.607 -10.124 1.00 0.00 C ATOM 292 CG LEU A 325 14.202 7.448 -9.029 1.00 0.00 C ATOM 293 CD1 LEU A 325 14.196 6.672 -7.710 1.00 0.00 C ATOM 294 CD2 LEU A 325 15.646 7.759 -9.429 1.00 0.00 C ATOM 0 H LEU A 325 11.048 5.677 -9.455 1.00 0.00 H new ATOM 0 HA LEU A 325 12.185 8.283 -10.494 1.00 0.00 H new ATOM 0 HB2 LEU A 325 13.430 5.575 -9.789 1.00 0.00 H new ATOM 0 HB3 LEU A 325 14.167 6.589 -11.014 1.00 0.00 H new ATOM 0 HG LEU A 325 13.649 8.379 -8.904 1.00 0.00 H new ATOM 0 HD11 LEU A 325 14.669 7.272 -6.933 1.00 0.00 H new ATOM 0 HD12 LEU A 325 13.168 6.451 -7.423 1.00 0.00 H new ATOM 0 HD13 LEU A 325 14.747 5.740 -7.834 1.00 0.00 H new ATOM 0 HD21 LEU A 325 16.119 8.357 -8.650 1.00 0.00 H new ATOM 0 HD22 LEU A 325 16.197 6.827 -9.555 1.00 0.00 H new ATOM 0 HD23 LEU A 325 15.652 8.314 -10.367 1.00 0.00 H new ATOM 306 N LEU A 326 11.796 7.576 -12.840 1.00 0.00 N ATOM 307 CA LEU A 326 11.370 7.204 -14.229 1.00 0.00 C ATOM 308 C LEU A 326 9.874 6.852 -14.258 1.00 0.00 C ATOM 309 O LEU A 326 9.491 5.703 -14.133 1.00 0.00 O ATOM 310 CB LEU A 326 12.230 5.992 -14.616 1.00 0.00 C ATOM 311 CG LEU A 326 12.353 5.914 -16.141 1.00 0.00 C ATOM 312 CD1 LEU A 326 13.612 6.658 -16.594 1.00 0.00 C ATOM 313 CD2 LEU A 326 12.447 4.448 -16.570 1.00 0.00 C ATOM 0 H LEU A 326 12.151 8.527 -12.745 1.00 0.00 H new ATOM 0 HA LEU A 326 11.508 8.027 -14.930 1.00 0.00 H new ATOM 0 HB2 LEU A 326 13.219 6.076 -14.165 1.00 0.00 H new ATOM 0 HB3 LEU A 326 11.781 5.077 -14.230 1.00 0.00 H new ATOM 0 HG LEU A 326 11.477 6.373 -16.598 1.00 0.00 H new ATOM 0 HD11 LEU A 326 13.698 6.601 -17.679 1.00 0.00 H new ATOM 0 HD12 LEU A 326 13.547 7.703 -16.289 1.00 0.00 H new ATOM 0 HD13 LEU A 326 14.489 6.201 -16.137 1.00 0.00 H new ATOM 0 HD21 LEU A 326 12.535 4.391 -17.655 1.00 0.00 H new ATOM 0 HD22 LEU A 326 13.323 3.990 -16.111 1.00 0.00 H new ATOM 0 HD23 LEU A 326 11.550 3.917 -16.250 1.00 0.00 H new ATOM 325 N GLU A 327 9.028 7.839 -14.426 1.00 0.00 N ATOM 326 CA GLU A 327 7.556 7.577 -14.467 1.00 0.00 C ATOM 327 C GLU A 327 7.042 7.647 -15.911 1.00 0.00 C ATOM 328 O GLU A 327 7.452 8.547 -16.628 1.00 0.00 O ATOM 329 CB GLU A 327 6.928 8.685 -13.616 1.00 0.00 C ATOM 330 CG GLU A 327 6.764 8.198 -12.172 1.00 0.00 C ATOM 331 CD GLU A 327 7.972 8.636 -11.339 1.00 0.00 C ATOM 332 OE1 GLU A 327 8.956 7.917 -11.336 1.00 0.00 O ATOM 333 OE2 GLU A 327 7.891 9.683 -10.717 1.00 0.00 O ATOM 334 OXT GLU A 327 6.244 6.798 -16.276 1.00 0.00 O ATOM 0 H GLU A 327 9.295 8.817 -14.537 1.00 0.00 H new ATOM 0 HA GLU A 327 7.305 6.585 -14.091 1.00 0.00 H new ATOM 0 HB2 GLU A 327 7.556 9.576 -13.640 1.00 0.00 H new ATOM 0 HB3 GLU A 327 5.959 8.967 -14.027 1.00 0.00 H new ATOM 0 HG2 GLU A 327 5.848 8.604 -11.743 1.00 0.00 H new ATOM 0 HG3 GLU A 327 6.671 7.112 -12.153 1.00 0.00 H new TER 341 GLU A 327