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 -143:sc= 0 (180deg=-0.01) USER MOD Single : A 321 TYR OH : rot -92:sc= -1.05 USER MOD Single : A 322 ASN : amide:sc= -0.0601 X(o=-0.06,f=-0.044) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 308 -9.590 -3.601 13.566 1.00 0.00 N ATOM 2 CA LYS A 308 -9.691 -4.131 12.171 1.00 0.00 C ATOM 3 C LYS A 308 -8.933 -3.216 11.202 1.00 0.00 C ATOM 4 O LYS A 308 -9.064 -2.007 11.248 1.00 0.00 O ATOM 5 CB LYS A 308 -11.189 -4.135 11.847 1.00 0.00 C ATOM 6 CG LYS A 308 -11.465 -5.124 10.709 1.00 0.00 C ATOM 7 CD LYS A 308 -12.337 -4.453 9.643 1.00 0.00 C ATOM 8 CE LYS A 308 -12.301 -5.281 8.354 1.00 0.00 C ATOM 9 NZ LYS A 308 -13.470 -4.815 7.554 1.00 0.00 N ATOM 0 HA LYS A 308 -9.255 -5.126 12.077 1.00 0.00 H new ATOM 0 HB2 LYS A 308 -11.762 -4.413 12.731 1.00 0.00 H new ATOM 0 HB3 LYS A 308 -11.512 -3.134 11.560 1.00 0.00 H new ATOM 0 HG2 LYS A 308 -10.526 -5.457 10.268 1.00 0.00 H new ATOM 0 HG3 LYS A 308 -11.966 -6.010 11.098 1.00 0.00 H new ATOM 0 HD2 LYS A 308 -13.363 -4.363 10.001 1.00 0.00 H new ATOM 0 HD3 LYS A 308 -11.978 -3.442 9.448 1.00 0.00 H new ATOM 0 HE2 LYS A 308 -11.367 -5.126 7.813 1.00 0.00 H new ATOM 0 HE3 LYS A 308 -12.372 -6.347 8.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 308 -13.508 -5.340 6.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 308 -14.346 -4.981 8.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 308 -13.373 -3.799 7.357 1.00 0.00 H new ATOM 22 N PHE A 309 -8.142 -3.786 10.326 1.00 0.00 N ATOM 23 CA PHE A 309 -7.370 -2.954 9.351 1.00 0.00 C ATOM 24 C PHE A 309 -7.518 -3.530 7.935 1.00 0.00 C ATOM 25 O PHE A 309 -6.837 -4.474 7.577 1.00 0.00 O ATOM 26 CB PHE A 309 -5.913 -3.033 9.821 1.00 0.00 C ATOM 27 CG PHE A 309 -5.771 -2.358 11.167 1.00 0.00 C ATOM 28 CD1 PHE A 309 -5.736 -0.959 11.250 1.00 0.00 C ATOM 29 CD2 PHE A 309 -5.679 -3.130 12.331 1.00 0.00 C ATOM 30 CE1 PHE A 309 -5.608 -0.336 12.496 1.00 0.00 C ATOM 31 CE2 PHE A 309 -5.551 -2.506 13.578 1.00 0.00 C ATOM 32 CZ PHE A 309 -5.516 -1.109 13.660 1.00 0.00 C ATOM 0 H PHE A 309 -7.998 -4.792 10.244 1.00 0.00 H new ATOM 0 HA PHE A 309 -7.724 -1.924 9.313 1.00 0.00 H new ATOM 0 HB2 PHE A 309 -5.600 -4.075 9.892 1.00 0.00 H new ATOM 0 HB3 PHE A 309 -5.260 -2.553 9.092 1.00 0.00 H new ATOM 0 HD1 PHE A 309 -5.808 -0.363 10.353 1.00 0.00 H new ATOM 0 HD2 PHE A 309 -5.707 -4.208 12.267 1.00 0.00 H new ATOM 0 HE1 PHE A 309 -5.580 0.742 12.560 1.00 0.00 H new ATOM 0 HE2 PHE A 309 -5.479 -3.102 14.476 1.00 0.00 H new ATOM 0 HZ PHE A 309 -5.418 -0.627 14.622 1.00 0.00 H new ATOM 42 N PRO A 310 -8.410 -2.942 7.172 1.00 0.00 N ATOM 43 CA PRO A 310 -8.649 -3.406 5.780 1.00 0.00 C ATOM 44 C PRO A 310 -7.472 -3.016 4.875 1.00 0.00 C ATOM 45 O PRO A 310 -7.080 -1.864 4.824 1.00 0.00 O ATOM 46 CB PRO A 310 -9.925 -2.673 5.371 1.00 0.00 C ATOM 47 CG PRO A 310 -9.969 -1.455 6.237 1.00 0.00 C ATOM 48 CD PRO A 310 -9.270 -1.803 7.526 1.00 0.00 C ATOM 0 HA PRO A 310 -8.744 -4.489 5.698 1.00 0.00 H new ATOM 0 HB2 PRO A 310 -9.904 -2.405 4.315 1.00 0.00 H new ATOM 0 HB3 PRO A 310 -10.805 -3.298 5.524 1.00 0.00 H new ATOM 0 HG2 PRO A 310 -9.477 -0.615 5.746 1.00 0.00 H new ATOM 0 HG3 PRO A 310 -10.999 -1.154 6.427 1.00 0.00 H new ATOM 0 HD2 PRO A 310 -8.685 -0.963 7.901 1.00 0.00 H new ATOM 0 HD3 PRO A 310 -9.983 -2.069 8.307 1.00 0.00 H new ATOM 56 N ARG A 311 -6.911 -3.976 4.171 1.00 0.00 N ATOM 57 CA ARG A 311 -5.748 -3.700 3.259 1.00 0.00 C ATOM 58 C ARG A 311 -4.511 -3.273 4.066 1.00 0.00 C ATOM 59 O ARG A 311 -4.600 -2.934 5.232 1.00 0.00 O ATOM 60 CB ARG A 311 -6.207 -2.571 2.325 1.00 0.00 C ATOM 61 CG ARG A 311 -5.654 -2.808 0.915 1.00 0.00 C ATOM 62 CD ARG A 311 -5.523 -1.468 0.182 1.00 0.00 C ATOM 63 NE ARG A 311 -4.602 -1.738 -0.961 1.00 0.00 N ATOM 64 CZ ARG A 311 -5.072 -1.812 -2.178 1.00 0.00 C ATOM 65 NH1 ARG A 311 -5.537 -0.741 -2.765 1.00 0.00 N ATOM 66 NH2 ARG A 311 -5.073 -2.959 -2.807 1.00 0.00 N ATOM 0 H ARG A 311 -7.213 -4.950 4.190 1.00 0.00 H new ATOM 0 HA ARG A 311 -5.461 -4.589 2.698 1.00 0.00 H new ATOM 0 HB2 ARG A 311 -7.296 -2.530 2.297 1.00 0.00 H new ATOM 0 HB3 ARG A 311 -5.862 -1.609 2.704 1.00 0.00 H new ATOM 0 HG2 ARG A 311 -4.683 -3.299 0.972 1.00 0.00 H new ATOM 0 HG3 ARG A 311 -6.316 -3.474 0.361 1.00 0.00 H new ATOM 0 HD2 ARG A 311 -6.493 -1.114 -0.168 1.00 0.00 H new ATOM 0 HD3 ARG A 311 -5.120 -0.697 0.839 1.00 0.00 H new ATOM 0 HE ARG A 311 -3.604 -1.865 -0.792 1.00 0.00 H new ATOM 0 HH11 ARG A 311 -5.533 0.153 -2.273 1.00 0.00 H new ATOM 0 HH12 ARG A 311 -5.904 -0.799 -3.715 1.00 0.00 H new ATOM 0 HH21 ARG A 311 -4.707 -3.793 -2.347 1.00 0.00 H new ATOM 0 HH22 ARG A 311 -5.439 -3.019 -3.757 1.00 0.00 H new ATOM 80 N ALA A 312 -3.356 -3.293 3.448 1.00 0.00 N ATOM 81 CA ALA A 312 -2.105 -2.892 4.163 1.00 0.00 C ATOM 82 C ALA A 312 -1.471 -1.676 3.476 1.00 0.00 C ATOM 83 O ALA A 312 -2.041 -1.102 2.565 1.00 0.00 O ATOM 84 CB ALA A 312 -1.185 -4.111 4.061 1.00 0.00 C ATOM 0 H ALA A 312 -3.225 -3.571 2.475 1.00 0.00 H new ATOM 0 HA ALA A 312 -2.291 -2.608 5.199 1.00 0.00 H new ATOM 0 HB1 ALA A 312 -0.241 -3.898 4.563 1.00 0.00 H new ATOM 0 HB2 ALA A 312 -1.663 -4.968 4.535 1.00 0.00 H new ATOM 0 HB3 ALA A 312 -0.995 -4.336 3.012 1.00 0.00 H new ATOM 90 N MET A 313 -0.297 -1.278 3.903 1.00 0.00 N ATOM 91 CA MET A 313 0.372 -0.098 3.274 1.00 0.00 C ATOM 92 C MET A 313 1.671 -0.531 2.576 1.00 0.00 C ATOM 93 O MET A 313 2.736 -0.489 3.168 1.00 0.00 O ATOM 94 CB MET A 313 0.671 0.859 4.433 1.00 0.00 C ATOM 95 CG MET A 313 -0.588 1.661 4.777 1.00 0.00 C ATOM 96 SD MET A 313 -1.461 0.860 6.146 1.00 0.00 S ATOM 97 CE MET A 313 -0.459 1.544 7.489 1.00 0.00 C ATOM 0 H MET A 313 0.226 -1.719 4.659 1.00 0.00 H new ATOM 0 HA MET A 313 -0.252 0.372 2.514 1.00 0.00 H new ATOM 0 HB2 MET A 313 1.005 0.297 5.305 1.00 0.00 H new ATOM 0 HB3 MET A 313 1.481 1.535 4.160 1.00 0.00 H new ATOM 0 HG2 MET A 313 -0.318 2.681 5.051 1.00 0.00 H new ATOM 0 HG3 MET A 313 -1.239 1.727 3.905 1.00 0.00 H new ATOM 0 HE1 MET A 313 -0.332 0.792 8.267 1.00 0.00 H new ATOM 0 HE2 MET A 313 0.518 1.835 7.102 1.00 0.00 H new ATOM 0 HE3 MET A 313 -0.959 2.418 7.907 1.00 0.00 H new ATOM 107 N PRO A 314 1.538 -0.932 1.331 1.00 0.00 N ATOM 108 CA PRO A 314 2.717 -1.371 0.538 1.00 0.00 C ATOM 109 C PRO A 314 3.562 -0.163 0.114 1.00 0.00 C ATOM 110 O PRO A 314 3.315 0.953 0.524 1.00 0.00 O ATOM 111 CB PRO A 314 2.100 -2.058 -0.676 1.00 0.00 C ATOM 112 CG PRO A 314 0.739 -1.456 -0.818 1.00 0.00 C ATOM 113 CD PRO A 314 0.294 -1.016 0.555 1.00 0.00 C ATOM 0 HA PRO A 314 3.386 -2.026 1.096 1.00 0.00 H new ATOM 0 HB2 PRO A 314 2.700 -1.890 -1.570 1.00 0.00 H new ATOM 0 HB3 PRO A 314 2.040 -3.137 -0.530 1.00 0.00 H new ATOM 0 HG2 PRO A 314 0.764 -0.609 -1.503 1.00 0.00 H new ATOM 0 HG3 PRO A 314 0.040 -2.182 -1.234 1.00 0.00 H new ATOM 0 HD2 PRO A 314 -0.217 -0.054 0.518 1.00 0.00 H new ATOM 0 HD3 PRO A 314 -0.402 -1.730 0.995 1.00 0.00 H new ATOM 121 N ILE A 315 4.560 -0.382 -0.702 1.00 0.00 N ATOM 122 CA ILE A 315 5.431 0.753 -1.150 1.00 0.00 C ATOM 123 C ILE A 315 4.639 1.718 -2.038 1.00 0.00 C ATOM 124 O ILE A 315 4.576 2.905 -1.778 1.00 0.00 O ATOM 125 CB ILE A 315 6.581 0.113 -1.946 1.00 0.00 C ATOM 126 CG1 ILE A 315 7.262 -0.986 -1.114 1.00 0.00 C ATOM 127 CG2 ILE A 315 7.616 1.186 -2.303 1.00 0.00 C ATOM 128 CD1 ILE A 315 7.587 -0.461 0.288 1.00 0.00 C ATOM 0 H ILE A 315 4.812 -1.296 -1.079 1.00 0.00 H new ATOM 0 HA ILE A 315 5.803 1.329 -0.303 1.00 0.00 H new ATOM 0 HB ILE A 315 6.173 -0.329 -2.855 1.00 0.00 H new ATOM 0 HG12 ILE A 315 6.609 -1.856 -1.043 1.00 0.00 H new ATOM 0 HG13 ILE A 315 8.176 -1.314 -1.609 1.00 0.00 H new ATOM 0 HG21 ILE A 315 8.431 0.732 -2.867 1.00 0.00 H new ATOM 0 HG22 ILE A 315 7.144 1.960 -2.907 1.00 0.00 H new ATOM 0 HG23 ILE A 315 8.011 1.629 -1.389 1.00 0.00 H new ATOM 0 HD11 ILE A 315 8.069 -1.248 0.868 1.00 0.00 H new ATOM 0 HD12 ILE A 315 8.258 0.395 0.210 1.00 0.00 H new ATOM 0 HD13 ILE A 315 6.666 -0.156 0.785 1.00 0.00 H new ATOM 140 N TRP A 316 4.044 1.213 -3.085 1.00 0.00 N ATOM 141 CA TRP A 316 3.256 2.089 -4.015 1.00 0.00 C ATOM 142 C TRP A 316 2.044 2.718 -3.308 1.00 0.00 C ATOM 143 O TRP A 316 1.587 3.778 -3.686 1.00 0.00 O ATOM 144 CB TRP A 316 2.816 1.174 -5.172 1.00 0.00 C ATOM 145 CG TRP A 316 1.846 0.135 -4.690 1.00 0.00 C ATOM 146 CD1 TRP A 316 2.185 -1.090 -4.221 1.00 0.00 C ATOM 147 CD2 TRP A 316 0.392 0.206 -4.635 1.00 0.00 C ATOM 148 NE1 TRP A 316 1.030 -1.771 -3.879 1.00 0.00 N ATOM 149 CE2 TRP A 316 -0.101 -1.014 -4.114 1.00 0.00 C ATOM 150 CE3 TRP A 316 -0.540 1.203 -4.980 1.00 0.00 C ATOM 151 CZ2 TRP A 316 -1.467 -1.237 -3.942 1.00 0.00 C ATOM 152 CZ3 TRP A 316 -1.915 0.982 -4.808 1.00 0.00 C ATOM 153 CH2 TRP A 316 -2.378 -0.235 -4.290 1.00 0.00 C ATOM 0 H TRP A 316 4.067 0.226 -3.342 1.00 0.00 H new ATOM 0 HA TRP A 316 3.854 2.927 -4.372 1.00 0.00 H new ATOM 0 HB2 TRP A 316 2.355 1.771 -5.959 1.00 0.00 H new ATOM 0 HB3 TRP A 316 3.688 0.689 -5.610 1.00 0.00 H new ATOM 0 HD1 TRP A 316 3.191 -1.472 -4.129 1.00 0.00 H new ATOM 0 HE1 TRP A 316 1.016 -2.718 -3.499 1.00 0.00 H new ATOM 0 HE3 TRP A 316 -0.194 2.145 -5.380 1.00 0.00 H new ATOM 0 HZ2 TRP A 316 -1.819 -2.177 -3.543 1.00 0.00 H new ATOM 0 HZ3 TRP A 316 -2.621 1.754 -5.076 1.00 0.00 H new ATOM 0 HH2 TRP A 316 -3.438 -0.399 -4.160 1.00 0.00 H new ATOM 164 N ALA A 317 1.527 2.080 -2.288 1.00 0.00 N ATOM 165 CA ALA A 317 0.351 2.652 -1.559 1.00 0.00 C ATOM 166 C ALA A 317 0.741 2.990 -0.112 1.00 0.00 C ATOM 167 O ALA A 317 0.422 2.270 0.818 1.00 0.00 O ATOM 168 CB ALA A 317 -0.721 1.560 -1.603 1.00 0.00 C ATOM 0 H ALA A 317 1.867 1.188 -1.928 1.00 0.00 H new ATOM 0 HA ALA A 317 -0.007 3.577 -2.010 1.00 0.00 H new ATOM 0 HB1 ALA A 317 -1.616 1.908 -1.087 1.00 0.00 H new ATOM 0 HB2 ALA A 317 -0.966 1.332 -2.640 1.00 0.00 H new ATOM 0 HB3 ALA A 317 -0.345 0.662 -1.113 1.00 0.00 H new ATOM 174 N ARG A 318 1.432 4.087 0.080 1.00 0.00 N ATOM 175 CA ARG A 318 1.850 4.490 1.456 1.00 0.00 C ATOM 176 C ARG A 318 1.406 5.933 1.739 1.00 0.00 C ATOM 177 O ARG A 318 1.139 6.689 0.823 1.00 0.00 O ATOM 178 CB ARG A 318 3.376 4.385 1.451 1.00 0.00 C ATOM 179 CG ARG A 318 3.824 3.277 2.409 1.00 0.00 C ATOM 180 CD ARG A 318 5.192 2.746 1.970 1.00 0.00 C ATOM 181 NE ARG A 318 5.324 1.418 2.632 1.00 0.00 N ATOM 182 CZ ARG A 318 6.057 1.294 3.705 1.00 0.00 C ATOM 183 NH1 ARG A 318 7.357 1.197 3.602 1.00 0.00 N ATOM 184 NH2 ARG A 318 5.487 1.268 4.883 1.00 0.00 N ATOM 0 H ARG A 318 1.725 4.723 -0.662 1.00 0.00 H new ATOM 0 HA ARG A 318 1.403 3.863 2.228 1.00 0.00 H new ATOM 0 HB2 ARG A 318 3.732 4.172 0.443 1.00 0.00 H new ATOM 0 HB3 ARG A 318 3.816 5.336 1.750 1.00 0.00 H new ATOM 0 HG2 ARG A 318 3.881 3.663 3.427 1.00 0.00 H new ATOM 0 HG3 ARG A 318 3.093 2.469 2.415 1.00 0.00 H new ATOM 0 HD2 ARG A 318 5.249 2.653 0.885 1.00 0.00 H new ATOM 0 HD3 ARG A 318 5.993 3.420 2.275 1.00 0.00 H new ATOM 0 HE ARG A 318 4.842 0.606 2.247 1.00 0.00 H new ATOM 0 HH11 ARG A 318 7.799 1.218 2.683 1.00 0.00 H new ATOM 0 HH12 ARG A 318 7.929 1.100 4.441 1.00 0.00 H new ATOM 0 HH21 ARG A 318 4.473 1.345 4.961 1.00 0.00 H new ATOM 0 HH22 ARG A 318 6.057 1.171 5.723 1.00 0.00 H new ATOM 198 N PRO A 319 1.335 6.263 3.006 1.00 0.00 N ATOM 199 CA PRO A 319 0.913 7.626 3.418 1.00 0.00 C ATOM 200 C PRO A 319 2.009 8.671 3.145 1.00 0.00 C ATOM 201 O PRO A 319 1.848 9.538 2.307 1.00 0.00 O ATOM 202 CB PRO A 319 0.637 7.477 4.914 1.00 0.00 C ATOM 203 CG PRO A 319 1.457 6.304 5.354 1.00 0.00 C ATOM 204 CD PRO A 319 1.636 5.405 4.160 1.00 0.00 C ATOM 0 HA PRO A 319 0.046 7.983 2.862 1.00 0.00 H new ATOM 0 HB2 PRO A 319 0.918 8.379 5.457 1.00 0.00 H new ATOM 0 HB3 PRO A 319 -0.423 7.309 5.103 1.00 0.00 H new ATOM 0 HG2 PRO A 319 2.424 6.633 5.735 1.00 0.00 H new ATOM 0 HG3 PRO A 319 0.960 5.771 6.164 1.00 0.00 H new ATOM 0 HD2 PRO A 319 2.651 5.011 4.108 1.00 0.00 H new ATOM 0 HD3 PRO A 319 0.964 4.548 4.204 1.00 0.00 H new ATOM 212 N ASP A 320 3.112 8.607 3.850 1.00 0.00 N ATOM 213 CA ASP A 320 4.205 9.611 3.639 1.00 0.00 C ATOM 214 C ASP A 320 5.556 8.918 3.391 1.00 0.00 C ATOM 215 O ASP A 320 6.586 9.363 3.865 1.00 0.00 O ATOM 216 CB ASP A 320 4.241 10.427 4.936 1.00 0.00 C ATOM 217 CG ASP A 320 4.114 11.915 4.608 1.00 0.00 C ATOM 218 OD1 ASP A 320 5.115 12.509 4.240 1.00 0.00 O ATOM 219 OD2 ASP A 320 3.018 12.437 4.729 1.00 0.00 O ATOM 0 H ASP A 320 3.304 7.903 4.563 1.00 0.00 H new ATOM 0 HA ASP A 320 4.022 10.234 2.764 1.00 0.00 H new ATOM 0 HB2 ASP A 320 3.429 10.119 5.594 1.00 0.00 H new ATOM 0 HB3 ASP A 320 5.173 10.240 5.470 1.00 0.00 H new ATOM 224 N TYR A 321 5.564 7.837 2.650 1.00 0.00 N ATOM 225 CA TYR A 321 6.849 7.127 2.375 1.00 0.00 C ATOM 226 C TYR A 321 7.638 7.848 1.271 1.00 0.00 C ATOM 227 O TYR A 321 7.205 8.855 0.740 1.00 0.00 O ATOM 228 CB TYR A 321 6.447 5.697 1.962 1.00 0.00 C ATOM 229 CG TYR A 321 6.325 5.565 0.455 1.00 0.00 C ATOM 230 CD1 TYR A 321 5.272 6.189 -0.229 1.00 0.00 C ATOM 231 CD2 TYR A 321 7.263 4.803 -0.254 1.00 0.00 C ATOM 232 CE1 TYR A 321 5.161 6.050 -1.618 1.00 0.00 C ATOM 233 CE2 TYR A 321 7.151 4.666 -1.641 1.00 0.00 C ATOM 234 CZ TYR A 321 6.100 5.289 -2.323 1.00 0.00 C ATOM 235 OH TYR A 321 5.987 5.150 -3.690 1.00 0.00 O ATOM 0 H TYR A 321 4.737 7.417 2.225 1.00 0.00 H new ATOM 0 HA TYR A 321 7.507 7.109 3.244 1.00 0.00 H new ATOM 0 HB2 TYR A 321 7.189 4.989 2.331 1.00 0.00 H new ATOM 0 HB3 TYR A 321 5.497 5.436 2.429 1.00 0.00 H new ATOM 0 HD1 TYR A 321 4.547 6.776 0.315 1.00 0.00 H new ATOM 0 HD2 TYR A 321 8.074 4.321 0.272 1.00 0.00 H new ATOM 0 HE1 TYR A 321 4.350 6.530 -2.145 1.00 0.00 H new ATOM 0 HE2 TYR A 321 7.876 4.079 -2.186 1.00 0.00 H new ATOM 0 HH TYR A 321 5.467 4.345 -3.895 1.00 0.00 H new ATOM 245 N ASN A 322 8.799 7.340 0.940 1.00 0.00 N ATOM 246 CA ASN A 322 9.649 7.977 -0.121 1.00 0.00 C ATOM 247 C ASN A 322 8.848 8.172 -1.419 1.00 0.00 C ATOM 248 O ASN A 322 7.786 7.602 -1.580 1.00 0.00 O ATOM 249 CB ASN A 322 10.807 6.995 -0.346 1.00 0.00 C ATOM 250 CG ASN A 322 11.674 6.918 0.916 1.00 0.00 C ATOM 251 OD1 ASN A 322 12.424 7.827 1.210 1.00 0.00 O ATOM 252 ND2 ASN A 322 11.599 5.864 1.682 1.00 0.00 N ATOM 0 H ASN A 322 9.201 6.503 1.362 1.00 0.00 H new ATOM 0 HA ASN A 322 10.000 8.965 0.178 1.00 0.00 H new ATOM 0 HB2 ASN A 322 10.416 6.007 -0.591 1.00 0.00 H new ATOM 0 HB3 ASN A 322 11.411 7.318 -1.194 1.00 0.00 H new ATOM 0 HD21 ASN A 322 12.169 5.805 2.525 1.00 0.00 H new ATOM 0 HD22 ASN A 322 10.970 5.099 1.437 1.00 0.00 H new ATOM 259 N PRO A 323 9.380 8.975 -2.310 1.00 0.00 N ATOM 260 CA PRO A 323 8.691 9.239 -3.601 1.00 0.00 C ATOM 261 C PRO A 323 8.669 7.972 -4.468 1.00 0.00 C ATOM 262 O PRO A 323 9.643 7.246 -4.524 1.00 0.00 O ATOM 263 CB PRO A 323 9.539 10.337 -4.242 1.00 0.00 C ATOM 264 CG PRO A 323 10.888 10.189 -3.618 1.00 0.00 C ATOM 265 CD PRO A 323 10.656 9.700 -2.214 1.00 0.00 C ATOM 0 HA PRO A 323 7.649 9.534 -3.481 1.00 0.00 H new ATOM 0 HB2 PRO A 323 9.588 10.218 -5.324 1.00 0.00 H new ATOM 0 HB3 PRO A 323 9.120 11.324 -4.049 1.00 0.00 H new ATOM 0 HG2 PRO A 323 11.500 9.483 -4.179 1.00 0.00 H new ATOM 0 HG3 PRO A 323 11.421 11.140 -3.615 1.00 0.00 H new ATOM 0 HD2 PRO A 323 11.463 9.049 -1.877 1.00 0.00 H new ATOM 0 HD3 PRO A 323 10.596 10.526 -1.506 1.00 0.00 H new ATOM 273 N PRO A 324 7.549 7.746 -5.117 1.00 0.00 N ATOM 274 CA PRO A 324 7.402 6.549 -5.987 1.00 0.00 C ATOM 275 C PRO A 324 8.277 6.670 -7.234 1.00 0.00 C ATOM 276 O PRO A 324 8.753 7.738 -7.575 1.00 0.00 O ATOM 277 CB PRO A 324 5.923 6.547 -6.355 1.00 0.00 C ATOM 278 CG PRO A 324 5.488 7.969 -6.207 1.00 0.00 C ATOM 279 CD PRO A 324 6.330 8.566 -5.109 1.00 0.00 C ATOM 0 HA PRO A 324 7.714 5.628 -5.494 1.00 0.00 H new ATOM 0 HB2 PRO A 324 5.770 6.191 -7.374 1.00 0.00 H new ATOM 0 HB3 PRO A 324 5.353 5.889 -5.698 1.00 0.00 H new ATOM 0 HG2 PRO A 324 5.625 8.515 -7.140 1.00 0.00 H new ATOM 0 HG3 PRO A 324 4.429 8.026 -5.957 1.00 0.00 H new ATOM 0 HD2 PRO A 324 6.553 9.616 -5.301 1.00 0.00 H new ATOM 0 HD3 PRO A 324 5.823 8.519 -4.145 1.00 0.00 H new ATOM 287 N LEU A 325 8.491 5.568 -7.911 1.00 0.00 N ATOM 288 CA LEU A 325 9.343 5.573 -9.147 1.00 0.00 C ATOM 289 C LEU A 325 10.712 6.217 -8.861 1.00 0.00 C ATOM 290 O LEU A 325 11.317 6.819 -9.729 1.00 0.00 O ATOM 291 CB LEU A 325 8.556 6.397 -10.174 1.00 0.00 C ATOM 292 CG LEU A 325 8.670 5.743 -11.554 1.00 0.00 C ATOM 293 CD1 LEU A 325 7.289 5.262 -12.008 1.00 0.00 C ATOM 294 CD2 LEU A 325 9.208 6.764 -12.560 1.00 0.00 C ATOM 0 H LEU A 325 8.109 4.656 -7.660 1.00 0.00 H new ATOM 0 HA LEU A 325 9.546 4.564 -9.507 1.00 0.00 H new ATOM 0 HB2 LEU A 325 7.509 6.463 -9.877 1.00 0.00 H new ATOM 0 HB3 LEU A 325 8.942 7.416 -10.210 1.00 0.00 H new ATOM 0 HG LEU A 325 9.351 4.894 -11.497 1.00 0.00 H new ATOM 0 HD11 LEU A 325 7.371 4.797 -12.990 1.00 0.00 H new ATOM 0 HD12 LEU A 325 6.904 4.535 -11.293 1.00 0.00 H new ATOM 0 HD13 LEU A 325 6.608 6.111 -12.064 1.00 0.00 H new ATOM 0 HD21 LEU A 325 9.289 6.299 -13.542 1.00 0.00 H new ATOM 0 HD22 LEU A 325 8.527 7.613 -12.616 1.00 0.00 H new ATOM 0 HD23 LEU A 325 10.191 7.108 -12.239 1.00 0.00 H new ATOM 306 N LEU A 326 11.200 6.094 -7.646 1.00 0.00 N ATOM 307 CA LEU A 326 12.522 6.697 -7.293 1.00 0.00 C ATOM 308 C LEU A 326 13.007 6.152 -5.941 1.00 0.00 C ATOM 309 O LEU A 326 12.680 6.686 -4.896 1.00 0.00 O ATOM 310 CB LEU A 326 12.260 8.207 -7.203 1.00 0.00 C ATOM 311 CG LEU A 326 13.587 8.967 -7.301 1.00 0.00 C ATOM 312 CD1 LEU A 326 13.627 9.763 -8.608 1.00 0.00 C ATOM 313 CD2 LEU A 326 13.714 9.927 -6.115 1.00 0.00 C ATOM 0 H LEU A 326 10.736 5.600 -6.884 1.00 0.00 H new ATOM 0 HA LEU A 326 13.293 6.462 -8.026 1.00 0.00 H new ATOM 0 HB2 LEU A 326 11.591 8.518 -8.005 1.00 0.00 H new ATOM 0 HB3 LEU A 326 11.762 8.444 -6.263 1.00 0.00 H new ATOM 0 HG LEU A 326 14.413 8.256 -7.284 1.00 0.00 H new ATOM 0 HD11 LEU A 326 14.571 10.303 -8.676 1.00 0.00 H new ATOM 0 HD12 LEU A 326 13.538 9.080 -9.453 1.00 0.00 H new ATOM 0 HD13 LEU A 326 12.801 10.473 -8.627 1.00 0.00 H new ATOM 0 HD21 LEU A 326 14.658 10.468 -6.184 1.00 0.00 H new ATOM 0 HD22 LEU A 326 12.887 10.637 -6.131 1.00 0.00 H new ATOM 0 HD23 LEU A 326 13.688 9.361 -5.184 1.00 0.00 H new ATOM 325 N GLU A 327 13.784 5.093 -5.961 1.00 0.00 N ATOM 326 CA GLU A 327 14.306 4.494 -4.687 1.00 0.00 C ATOM 327 C GLU A 327 13.145 4.135 -3.736 1.00 0.00 C ATOM 328 O GLU A 327 13.247 4.425 -2.553 1.00 0.00 O ATOM 329 CB GLU A 327 15.218 5.574 -4.083 1.00 0.00 C ATOM 330 CG GLU A 327 16.416 4.910 -3.394 1.00 0.00 C ATOM 331 CD GLU A 327 17.655 5.792 -3.561 1.00 0.00 C ATOM 332 OE1 GLU A 327 18.298 5.688 -4.594 1.00 0.00 O ATOM 333 OE2 GLU A 327 17.942 6.556 -2.655 1.00 0.00 O ATOM 334 OXT GLU A 327 12.174 3.566 -4.210 1.00 0.00 O ATOM 0 H GLU A 327 14.081 4.614 -6.811 1.00 0.00 H new ATOM 0 HA GLU A 327 14.848 3.564 -4.859 1.00 0.00 H new ATOM 0 HB2 GLU A 327 15.564 6.250 -4.864 1.00 0.00 H new ATOM 0 HB3 GLU A 327 14.660 6.175 -3.365 1.00 0.00 H new ATOM 0 HG2 GLU A 327 16.203 4.760 -2.335 1.00 0.00 H new ATOM 0 HG3 GLU A 327 16.597 3.925 -3.825 1.00 0.00 H new TER 341 GLU A 327