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 178:sc= 0 (180deg=-0.00663) USER MOD Single : A 321 TYR OH : rot 150:sc= 0 USER MOD Single : A 322 ASN : amide:sc= -0.443 X(o=-0.44,f=-0.81) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 308 0.413 -13.055 17.557 1.00 0.00 N ATOM 2 CA LYS A 308 1.324 -12.038 16.947 1.00 0.00 C ATOM 3 C LYS A 308 0.658 -11.393 15.724 1.00 0.00 C ATOM 4 O LYS A 308 -0.089 -12.032 15.007 1.00 0.00 O ATOM 5 CB LYS A 308 2.577 -12.817 16.526 1.00 0.00 C ATOM 6 CG LYS A 308 3.526 -12.957 17.722 1.00 0.00 C ATOM 7 CD LYS A 308 4.314 -14.266 17.601 1.00 0.00 C ATOM 8 CE LYS A 308 5.226 -14.434 18.822 1.00 0.00 C ATOM 9 NZ LYS A 308 4.656 -15.582 19.586 1.00 0.00 N ATOM 0 HA LYS A 308 1.562 -11.233 17.643 1.00 0.00 H new ATOM 0 HB2 LYS A 308 2.296 -13.803 16.155 1.00 0.00 H new ATOM 0 HB3 LYS A 308 3.080 -12.300 15.709 1.00 0.00 H new ATOM 0 HG2 LYS A 308 4.211 -12.110 17.757 1.00 0.00 H new ATOM 0 HG3 LYS A 308 2.959 -12.947 18.653 1.00 0.00 H new ATOM 0 HD2 LYS A 308 3.628 -15.110 17.529 1.00 0.00 H new ATOM 0 HD3 LYS A 308 4.909 -14.260 16.688 1.00 0.00 H new ATOM 0 HE2 LYS A 308 6.254 -14.634 18.520 1.00 0.00 H new ATOM 0 HE3 LYS A 308 5.243 -13.528 19.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 308 5.231 -15.753 20.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 308 3.680 -15.361 19.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 308 4.660 -16.433 18.988 1.00 0.00 H new ATOM 22 N PHE A 309 0.927 -10.134 15.482 1.00 0.00 N ATOM 23 CA PHE A 309 0.315 -9.444 14.306 1.00 0.00 C ATOM 24 C PHE A 309 1.384 -9.176 13.235 1.00 0.00 C ATOM 25 O PHE A 309 2.303 -8.410 13.460 1.00 0.00 O ATOM 26 CB PHE A 309 -0.240 -8.127 14.858 1.00 0.00 C ATOM 27 CG PHE A 309 -1.183 -7.513 13.850 1.00 0.00 C ATOM 28 CD1 PHE A 309 -0.687 -6.664 12.853 1.00 0.00 C ATOM 29 CD2 PHE A 309 -2.554 -7.791 13.913 1.00 0.00 C ATOM 30 CE1 PHE A 309 -1.561 -6.095 11.918 1.00 0.00 C ATOM 31 CE2 PHE A 309 -3.427 -7.221 12.979 1.00 0.00 C ATOM 32 CZ PHE A 309 -2.931 -6.373 11.982 1.00 0.00 C ATOM 0 H PHE A 309 1.545 -9.554 16.049 1.00 0.00 H new ATOM 0 HA PHE A 309 -0.463 -10.044 13.834 1.00 0.00 H new ATOM 0 HB2 PHE A 309 -0.762 -8.306 15.798 1.00 0.00 H new ATOM 0 HB3 PHE A 309 0.577 -7.438 15.074 1.00 0.00 H new ATOM 0 HD1 PHE A 309 0.370 -6.448 12.805 1.00 0.00 H new ATOM 0 HD2 PHE A 309 -2.938 -8.445 14.682 1.00 0.00 H new ATOM 0 HE1 PHE A 309 -1.178 -5.442 11.148 1.00 0.00 H new ATOM 0 HE2 PHE A 309 -4.484 -7.436 13.028 1.00 0.00 H new ATOM 0 HZ PHE A 309 -3.606 -5.933 11.262 1.00 0.00 H new ATOM 42 N PRO A 310 1.226 -9.818 12.101 1.00 0.00 N ATOM 43 CA PRO A 310 2.192 -9.644 10.984 1.00 0.00 C ATOM 44 C PRO A 310 2.018 -8.269 10.322 1.00 0.00 C ATOM 45 O PRO A 310 0.943 -7.695 10.334 1.00 0.00 O ATOM 46 CB PRO A 310 1.825 -10.765 10.015 1.00 0.00 C ATOM 47 CG PRO A 310 0.391 -11.076 10.302 1.00 0.00 C ATOM 48 CD PRO A 310 0.147 -10.754 11.754 1.00 0.00 C ATOM 0 HA PRO A 310 3.231 -9.689 11.310 1.00 0.00 H new ATOM 0 HB2 PRO A 310 1.961 -10.451 8.980 1.00 0.00 H new ATOM 0 HB3 PRO A 310 2.456 -11.640 10.168 1.00 0.00 H new ATOM 0 HG2 PRO A 310 -0.266 -10.487 9.662 1.00 0.00 H new ATOM 0 HG3 PRO A 310 0.177 -12.125 10.099 1.00 0.00 H new ATOM 0 HD2 PRO A 310 -0.834 -10.304 11.903 1.00 0.00 H new ATOM 0 HD3 PRO A 310 0.183 -11.651 12.373 1.00 0.00 H new ATOM 56 N ARG A 311 3.068 -7.739 9.745 1.00 0.00 N ATOM 57 CA ARG A 311 2.969 -6.402 9.081 1.00 0.00 C ATOM 58 C ARG A 311 2.372 -6.546 7.676 1.00 0.00 C ATOM 59 O ARG A 311 2.614 -7.519 6.986 1.00 0.00 O ATOM 60 CB ARG A 311 4.407 -5.880 9.007 1.00 0.00 C ATOM 61 CG ARG A 311 4.631 -4.841 10.109 1.00 0.00 C ATOM 62 CD ARG A 311 5.956 -4.111 9.866 1.00 0.00 C ATOM 63 NE ARG A 311 6.892 -4.655 10.892 1.00 0.00 N ATOM 64 CZ ARG A 311 7.897 -5.406 10.529 1.00 0.00 C ATOM 65 NH1 ARG A 311 9.003 -4.854 10.101 1.00 0.00 N ATOM 66 NH2 ARG A 311 7.796 -6.708 10.592 1.00 0.00 N ATOM 0 H ARG A 311 3.990 -8.174 9.705 1.00 0.00 H new ATOM 0 HA ARG A 311 2.320 -5.720 9.630 1.00 0.00 H new ATOM 0 HB2 ARG A 311 5.111 -6.705 9.122 1.00 0.00 H new ATOM 0 HB3 ARG A 311 4.594 -5.435 8.030 1.00 0.00 H new ATOM 0 HG2 ARG A 311 3.808 -4.127 10.122 1.00 0.00 H new ATOM 0 HG3 ARG A 311 4.646 -5.328 11.084 1.00 0.00 H new ATOM 0 HD2 ARG A 311 6.327 -4.293 8.857 1.00 0.00 H new ATOM 0 HD3 ARG A 311 5.838 -3.033 9.972 1.00 0.00 H new ATOM 0 HE ARG A 311 6.747 -4.440 11.879 1.00 0.00 H new ATOM 0 HH11 ARG A 311 9.080 -3.838 10.051 1.00 0.00 H new ATOM 0 HH12 ARG A 311 9.789 -5.439 9.817 1.00 0.00 H new ATOM 0 HH21 ARG A 311 6.932 -7.137 10.925 1.00 0.00 H new ATOM 0 HH22 ARG A 311 8.581 -7.295 10.309 1.00 0.00 H new ATOM 80 N ALA A 312 1.595 -5.581 7.253 1.00 0.00 N ATOM 81 CA ALA A 312 0.976 -5.650 5.894 1.00 0.00 C ATOM 82 C ALA A 312 0.866 -4.243 5.293 1.00 0.00 C ATOM 83 O ALA A 312 -0.148 -3.580 5.420 1.00 0.00 O ATOM 84 CB ALA A 312 -0.412 -6.256 6.119 1.00 0.00 C ATOM 0 H ALA A 312 1.362 -4.747 7.791 1.00 0.00 H new ATOM 0 HA ALA A 312 1.567 -6.245 5.198 1.00 0.00 H new ATOM 0 HB1 ALA A 312 -0.932 -6.340 5.164 1.00 0.00 H new ATOM 0 HB2 ALA A 312 -0.309 -7.246 6.564 1.00 0.00 H new ATOM 0 HB3 ALA A 312 -0.985 -5.615 6.789 1.00 0.00 H new ATOM 90 N MET A 313 1.905 -3.785 4.641 1.00 0.00 N ATOM 91 CA MET A 313 1.870 -2.420 4.027 1.00 0.00 C ATOM 92 C MET A 313 2.700 -2.395 2.732 1.00 0.00 C ATOM 93 O MET A 313 3.858 -2.770 2.733 1.00 0.00 O ATOM 94 CB MET A 313 2.470 -1.481 5.086 1.00 0.00 C ATOM 95 CG MET A 313 3.898 -1.916 5.440 1.00 0.00 C ATOM 96 SD MET A 313 4.111 -1.887 7.237 1.00 0.00 S ATOM 97 CE MET A 313 5.892 -1.569 7.249 1.00 0.00 C ATOM 0 H MET A 313 2.777 -4.297 4.507 1.00 0.00 H new ATOM 0 HA MET A 313 0.859 -2.118 3.754 1.00 0.00 H new ATOM 0 HB2 MET A 313 2.477 -0.457 4.711 1.00 0.00 H new ATOM 0 HB3 MET A 313 1.848 -1.488 5.981 1.00 0.00 H new ATOM 0 HG2 MET A 313 4.090 -2.918 5.057 1.00 0.00 H new ATOM 0 HG3 MET A 313 4.620 -1.250 4.967 1.00 0.00 H new ATOM 0 HE1 MET A 313 6.238 -1.476 8.278 1.00 0.00 H new ATOM 0 HE2 MET A 313 6.412 -2.395 6.765 1.00 0.00 H new ATOM 0 HE3 MET A 313 6.100 -0.644 6.711 1.00 0.00 H new ATOM 107 N PRO A 314 2.074 -1.957 1.661 1.00 0.00 N ATOM 108 CA PRO A 314 2.766 -1.889 0.349 1.00 0.00 C ATOM 109 C PRO A 314 3.691 -0.666 0.276 1.00 0.00 C ATOM 110 O PRO A 314 3.800 0.103 1.213 1.00 0.00 O ATOM 111 CB PRO A 314 1.625 -1.757 -0.653 1.00 0.00 C ATOM 112 CG PRO A 314 0.489 -1.153 0.113 1.00 0.00 C ATOM 113 CD PRO A 314 0.681 -1.496 1.570 1.00 0.00 C ATOM 0 HA PRO A 314 3.400 -2.756 0.164 1.00 0.00 H new ATOM 0 HB2 PRO A 314 1.912 -1.125 -1.493 1.00 0.00 H new ATOM 0 HB3 PRO A 314 1.349 -2.728 -1.064 1.00 0.00 H new ATOM 0 HG2 PRO A 314 0.467 -0.072 -0.025 1.00 0.00 H new ATOM 0 HG3 PRO A 314 -0.464 -1.540 -0.248 1.00 0.00 H new ATOM 0 HD2 PRO A 314 0.508 -0.629 2.208 1.00 0.00 H new ATOM 0 HD3 PRO A 314 -0.015 -2.271 1.890 1.00 0.00 H new ATOM 121 N ILE A 315 4.349 -0.486 -0.841 1.00 0.00 N ATOM 122 CA ILE A 315 5.267 0.686 -1.001 1.00 0.00 C ATOM 123 C ILE A 315 4.583 1.771 -1.835 1.00 0.00 C ATOM 124 O ILE A 315 4.589 2.934 -1.478 1.00 0.00 O ATOM 125 CB ILE A 315 6.504 0.145 -1.731 1.00 0.00 C ATOM 126 CG1 ILE A 315 7.088 -1.041 -0.958 1.00 0.00 C ATOM 127 CG2 ILE A 315 7.564 1.247 -1.839 1.00 0.00 C ATOM 128 CD1 ILE A 315 7.044 -2.289 -1.838 1.00 0.00 C ATOM 0 H ILE A 315 4.291 -1.101 -1.652 1.00 0.00 H new ATOM 0 HA ILE A 315 5.533 1.133 -0.043 1.00 0.00 H new ATOM 0 HB ILE A 315 6.211 -0.181 -2.729 1.00 0.00 H new ATOM 0 HG12 ILE A 315 8.115 -0.827 -0.662 1.00 0.00 H new ATOM 0 HG13 ILE A 315 6.521 -1.208 -0.042 1.00 0.00 H new ATOM 0 HG21 ILE A 315 8.441 0.859 -2.358 1.00 0.00 H new ATOM 0 HG22 ILE A 315 7.156 2.091 -2.396 1.00 0.00 H new ATOM 0 HG23 ILE A 315 7.850 1.576 -0.840 1.00 0.00 H new ATOM 0 HD11 ILE A 315 7.459 -3.135 -1.290 1.00 0.00 H new ATOM 0 HD12 ILE A 315 6.011 -2.505 -2.111 1.00 0.00 H new ATOM 0 HD13 ILE A 315 7.630 -2.118 -2.741 1.00 0.00 H new ATOM 140 N TRP A 316 4.001 1.391 -2.943 1.00 0.00 N ATOM 141 CA TRP A 316 3.310 2.387 -3.825 1.00 0.00 C ATOM 142 C TRP A 316 2.082 2.983 -3.124 1.00 0.00 C ATOM 143 O TRP A 316 1.750 4.136 -3.325 1.00 0.00 O ATOM 144 CB TRP A 316 2.909 1.616 -5.096 1.00 0.00 C ATOM 145 CG TRP A 316 1.852 0.592 -4.794 1.00 0.00 C ATOM 146 CD1 TRP A 316 2.092 -0.702 -4.472 1.00 0.00 C ATOM 147 CD2 TRP A 316 0.402 0.750 -4.791 1.00 0.00 C ATOM 148 NE1 TRP A 316 0.883 -1.345 -4.270 1.00 0.00 N ATOM 149 CE2 TRP A 316 -0.187 -0.492 -4.455 1.00 0.00 C ATOM 150 CE3 TRP A 316 -0.452 1.840 -5.044 1.00 0.00 C ATOM 151 CZ2 TRP A 316 -1.572 -0.647 -4.372 1.00 0.00 C ATOM 152 CZ3 TRP A 316 -1.845 1.687 -4.962 1.00 0.00 C ATOM 153 CH2 TRP A 316 -2.404 0.445 -4.627 1.00 0.00 C ATOM 0 H TRP A 316 3.973 0.428 -3.279 1.00 0.00 H new ATOM 0 HA TRP A 316 3.960 3.229 -4.063 1.00 0.00 H new ATOM 0 HB2 TRP A 316 2.540 2.314 -5.848 1.00 0.00 H new ATOM 0 HB3 TRP A 316 3.785 1.125 -5.520 1.00 0.00 H new ATOM 0 HD1 TRP A 316 3.068 -1.157 -4.387 1.00 0.00 H new ATOM 0 HE1 TRP A 316 0.793 -2.329 -4.016 1.00 0.00 H new ATOM 0 HE3 TRP A 316 -0.033 2.801 -5.303 1.00 0.00 H new ATOM 0 HZ2 TRP A 316 -1.997 -1.605 -4.112 1.00 0.00 H new ATOM 0 HZ3 TRP A 316 -2.490 2.531 -5.158 1.00 0.00 H new ATOM 0 HH2 TRP A 316 -3.477 0.333 -4.566 1.00 0.00 H new ATOM 164 N ALA A 317 1.415 2.215 -2.302 1.00 0.00 N ATOM 165 CA ALA A 317 0.215 2.747 -1.587 1.00 0.00 C ATOM 166 C ALA A 317 0.619 3.216 -0.185 1.00 0.00 C ATOM 167 O ALA A 317 0.272 2.613 0.814 1.00 0.00 O ATOM 168 CB ALA A 317 -0.765 1.572 -1.518 1.00 0.00 C ATOM 0 H ALA A 317 1.648 1.244 -2.095 1.00 0.00 H new ATOM 0 HA ALA A 317 -0.232 3.603 -2.092 1.00 0.00 H new ATOM 0 HB1 ALA A 317 -1.674 1.886 -1.005 1.00 0.00 H new ATOM 0 HB2 ALA A 317 -1.013 1.245 -2.528 1.00 0.00 H new ATOM 0 HB3 ALA A 317 -0.307 0.747 -0.972 1.00 0.00 H new ATOM 174 N ARG A 318 1.355 4.296 -0.112 1.00 0.00 N ATOM 175 CA ARG A 318 1.799 4.831 1.208 1.00 0.00 C ATOM 176 C ARG A 318 1.573 6.349 1.263 1.00 0.00 C ATOM 177 O ARG A 318 1.289 6.966 0.254 1.00 0.00 O ATOM 178 CB ARG A 318 3.296 4.518 1.268 1.00 0.00 C ATOM 179 CG ARG A 318 3.570 3.481 2.361 1.00 0.00 C ATOM 180 CD ARG A 318 4.878 2.743 2.052 1.00 0.00 C ATOM 181 NE ARG A 318 5.947 3.787 2.097 1.00 0.00 N ATOM 182 CZ ARG A 318 7.182 3.468 1.811 1.00 0.00 C ATOM 183 NH1 ARG A 318 7.604 3.535 0.575 1.00 0.00 N ATOM 184 NH2 ARG A 318 7.993 3.079 2.761 1.00 0.00 N ATOM 0 H ARG A 318 1.670 4.834 -0.919 1.00 0.00 H new ATOM 0 HA ARG A 318 1.250 4.393 2.042 1.00 0.00 H new ATOM 0 HB2 ARG A 318 3.636 4.141 0.304 1.00 0.00 H new ATOM 0 HB3 ARG A 318 3.859 5.429 1.470 1.00 0.00 H new ATOM 0 HG2 ARG A 318 3.637 3.971 3.332 1.00 0.00 H new ATOM 0 HG3 ARG A 318 2.745 2.771 2.418 1.00 0.00 H new ATOM 0 HD2 ARG A 318 5.067 1.957 2.783 1.00 0.00 H new ATOM 0 HD3 ARG A 318 4.837 2.265 1.073 1.00 0.00 H new ATOM 0 HE ARG A 318 5.713 4.747 2.351 1.00 0.00 H new ATOM 0 HH11 ARG A 318 6.970 3.836 -0.165 1.00 0.00 H new ATOM 0 HH12 ARG A 318 8.567 3.286 0.351 1.00 0.00 H new ATOM 0 HH21 ARG A 318 7.662 3.025 3.724 1.00 0.00 H new ATOM 0 HH22 ARG A 318 8.957 2.830 2.539 1.00 0.00 H new ATOM 198 N PRO A 319 1.740 6.906 2.437 1.00 0.00 N ATOM 199 CA PRO A 319 1.590 8.372 2.609 1.00 0.00 C ATOM 200 C PRO A 319 2.799 9.099 2.003 1.00 0.00 C ATOM 201 O PRO A 319 2.674 10.165 1.432 1.00 0.00 O ATOM 202 CB PRO A 319 1.546 8.554 4.124 1.00 0.00 C ATOM 203 CG PRO A 319 2.261 7.364 4.680 1.00 0.00 C ATOM 204 CD PRO A 319 2.076 6.235 3.701 1.00 0.00 C ATOM 0 HA PRO A 319 0.708 8.778 2.114 1.00 0.00 H new ATOM 0 HB2 PRO A 319 2.033 9.482 4.424 1.00 0.00 H new ATOM 0 HB3 PRO A 319 0.519 8.601 4.486 1.00 0.00 H new ATOM 0 HG2 PRO A 319 3.320 7.582 4.820 1.00 0.00 H new ATOM 0 HG3 PRO A 319 1.859 7.096 5.657 1.00 0.00 H new ATOM 0 HD2 PRO A 319 2.983 5.637 3.606 1.00 0.00 H new ATOM 0 HD3 PRO A 319 1.281 5.560 4.017 1.00 0.00 H new ATOM 212 N ASP A 320 3.965 8.517 2.126 1.00 0.00 N ATOM 213 CA ASP A 320 5.201 9.147 1.565 1.00 0.00 C ATOM 214 C ASP A 320 5.864 8.203 0.548 1.00 0.00 C ATOM 215 O ASP A 320 7.075 8.069 0.516 1.00 0.00 O ATOM 216 CB ASP A 320 6.115 9.370 2.775 1.00 0.00 C ATOM 217 CG ASP A 320 5.560 10.507 3.639 1.00 0.00 C ATOM 218 OD1 ASP A 320 5.896 11.649 3.370 1.00 0.00 O ATOM 219 OD2 ASP A 320 4.808 10.216 4.556 1.00 0.00 O ATOM 0 H ASP A 320 4.116 7.624 2.595 1.00 0.00 H new ATOM 0 HA ASP A 320 4.990 10.078 1.039 1.00 0.00 H new ATOM 0 HB2 ASP A 320 6.186 8.455 3.363 1.00 0.00 H new ATOM 0 HB3 ASP A 320 7.124 9.613 2.441 1.00 0.00 H new ATOM 224 N TYR A 321 5.077 7.542 -0.275 1.00 0.00 N ATOM 225 CA TYR A 321 5.643 6.597 -1.293 1.00 0.00 C ATOM 226 C TYR A 321 6.820 7.246 -2.039 1.00 0.00 C ATOM 227 O TYR A 321 6.729 8.363 -2.512 1.00 0.00 O ATOM 228 CB TYR A 321 4.477 6.305 -2.250 1.00 0.00 C ATOM 229 CG TYR A 321 4.977 5.644 -3.520 1.00 0.00 C ATOM 230 CD1 TYR A 321 5.873 4.568 -3.455 1.00 0.00 C ATOM 231 CD2 TYR A 321 4.535 6.108 -4.764 1.00 0.00 C ATOM 232 CE1 TYR A 321 6.323 3.960 -4.632 1.00 0.00 C ATOM 233 CE2 TYR A 321 4.985 5.499 -5.941 1.00 0.00 C ATOM 234 CZ TYR A 321 5.880 4.426 -5.875 1.00 0.00 C ATOM 235 OH TYR A 321 6.322 3.824 -7.034 1.00 0.00 O ATOM 0 H TYR A 321 4.060 7.619 -0.283 1.00 0.00 H new ATOM 0 HA TYR A 321 6.034 5.686 -0.839 1.00 0.00 H new ATOM 0 HB2 TYR A 321 3.751 5.657 -1.759 1.00 0.00 H new ATOM 0 HB3 TYR A 321 3.961 7.233 -2.496 1.00 0.00 H new ATOM 0 HD1 TYR A 321 6.216 4.208 -2.496 1.00 0.00 H new ATOM 0 HD2 TYR A 321 3.845 6.938 -4.816 1.00 0.00 H new ATOM 0 HE1 TYR A 321 7.013 3.130 -4.581 1.00 0.00 H new ATOM 0 HE2 TYR A 321 4.641 5.857 -6.900 1.00 0.00 H new ATOM 0 HH TYR A 321 5.630 3.896 -7.724 1.00 0.00 H new ATOM 245 N ASN A 322 7.923 6.545 -2.133 1.00 0.00 N ATOM 246 CA ASN A 322 9.124 7.103 -2.836 1.00 0.00 C ATOM 247 C ASN A 322 8.777 7.489 -4.286 1.00 0.00 C ATOM 248 O ASN A 322 7.961 6.847 -4.919 1.00 0.00 O ATOM 249 CB ASN A 322 10.179 5.982 -2.794 1.00 0.00 C ATOM 250 CG ASN A 322 9.881 4.915 -3.857 1.00 0.00 C ATOM 251 OD1 ASN A 322 10.218 5.083 -5.013 1.00 0.00 O ATOM 252 ND2 ASN A 322 9.267 3.812 -3.515 1.00 0.00 N ATOM 0 H ASN A 322 8.045 5.607 -1.752 1.00 0.00 H new ATOM 0 HA ASN A 322 9.489 8.013 -2.359 1.00 0.00 H new ATOM 0 HB2 ASN A 322 11.170 6.403 -2.962 1.00 0.00 H new ATOM 0 HB3 ASN A 322 10.191 5.524 -1.805 1.00 0.00 H new ATOM 0 HD21 ASN A 322 9.073 3.098 -4.217 1.00 0.00 H new ATOM 0 HD22 ASN A 322 8.982 3.666 -2.546 1.00 0.00 H new ATOM 259 N PRO A 323 9.410 8.539 -4.761 1.00 0.00 N ATOM 260 CA PRO A 323 9.162 9.020 -6.146 1.00 0.00 C ATOM 261 C PRO A 323 9.840 8.093 -7.171 1.00 0.00 C ATOM 262 O PRO A 323 11.054 8.018 -7.226 1.00 0.00 O ATOM 263 CB PRO A 323 9.799 10.407 -6.161 1.00 0.00 C ATOM 264 CG PRO A 323 10.845 10.372 -5.092 1.00 0.00 C ATOM 265 CD PRO A 323 10.401 9.367 -4.060 1.00 0.00 C ATOM 0 HA PRO A 323 8.105 9.038 -6.410 1.00 0.00 H new ATOM 0 HB2 PRO A 323 10.238 10.628 -7.134 1.00 0.00 H new ATOM 0 HB3 PRO A 323 9.059 11.182 -5.962 1.00 0.00 H new ATOM 0 HG2 PRO A 323 11.812 10.091 -5.510 1.00 0.00 H new ATOM 0 HG3 PRO A 323 10.966 11.357 -4.641 1.00 0.00 H new ATOM 0 HD2 PRO A 323 11.238 8.768 -3.703 1.00 0.00 H new ATOM 0 HD3 PRO A 323 9.965 9.857 -3.189 1.00 0.00 H new ATOM 273 N PRO A 324 9.028 7.416 -7.954 1.00 0.00 N ATOM 274 CA PRO A 324 9.561 6.490 -8.984 1.00 0.00 C ATOM 275 C PRO A 324 10.079 7.264 -10.207 1.00 0.00 C ATOM 276 O PRO A 324 10.175 8.478 -10.192 1.00 0.00 O ATOM 277 CB PRO A 324 8.353 5.636 -9.358 1.00 0.00 C ATOM 278 CG PRO A 324 7.156 6.473 -9.030 1.00 0.00 C ATOM 279 CD PRO A 324 7.558 7.447 -7.950 1.00 0.00 C ATOM 0 HA PRO A 324 10.405 5.901 -8.625 1.00 0.00 H new ATOM 0 HB2 PRO A 324 8.370 5.373 -10.416 1.00 0.00 H new ATOM 0 HB3 PRO A 324 8.344 4.701 -8.797 1.00 0.00 H new ATOM 0 HG2 PRO A 324 6.808 7.006 -9.915 1.00 0.00 H new ATOM 0 HG3 PRO A 324 6.332 5.845 -8.691 1.00 0.00 H new ATOM 0 HD2 PRO A 324 7.182 8.448 -8.159 1.00 0.00 H new ATOM 0 HD3 PRO A 324 7.158 7.152 -6.980 1.00 0.00 H new ATOM 287 N LEU A 325 10.408 6.564 -11.263 1.00 0.00 N ATOM 288 CA LEU A 325 10.918 7.245 -12.496 1.00 0.00 C ATOM 289 C LEU A 325 9.746 7.762 -13.343 1.00 0.00 C ATOM 290 O LEU A 325 8.597 7.666 -12.951 1.00 0.00 O ATOM 291 CB LEU A 325 11.696 6.166 -13.259 1.00 0.00 C ATOM 292 CG LEU A 325 13.201 6.393 -13.082 1.00 0.00 C ATOM 293 CD1 LEU A 325 13.953 5.101 -13.401 1.00 0.00 C ATOM 294 CD2 LEU A 325 13.667 7.500 -14.032 1.00 0.00 C ATOM 0 H LEU A 325 10.346 5.548 -11.326 1.00 0.00 H new ATOM 0 HA LEU A 325 11.543 8.106 -12.259 1.00 0.00 H new ATOM 0 HB2 LEU A 325 11.422 5.177 -12.891 1.00 0.00 H new ATOM 0 HB3 LEU A 325 11.436 6.196 -14.317 1.00 0.00 H new ATOM 0 HG LEU A 325 13.404 6.688 -12.052 1.00 0.00 H new ATOM 0 HD11 LEU A 325 15.024 5.263 -13.275 1.00 0.00 H new ATOM 0 HD12 LEU A 325 13.623 4.312 -12.725 1.00 0.00 H new ATOM 0 HD13 LEU A 325 13.749 4.806 -14.430 1.00 0.00 H new ATOM 0 HD21 LEU A 325 14.738 7.661 -13.906 1.00 0.00 H new ATOM 0 HD22 LEU A 325 13.463 7.206 -15.062 1.00 0.00 H new ATOM 0 HD23 LEU A 325 13.132 8.422 -13.806 1.00 0.00 H new ATOM 306 N LEU A 326 10.029 8.307 -14.501 1.00 0.00 N ATOM 307 CA LEU A 326 8.934 8.830 -15.377 1.00 0.00 C ATOM 308 C LEU A 326 8.060 7.670 -15.871 1.00 0.00 C ATOM 309 O LEU A 326 8.472 6.877 -16.697 1.00 0.00 O ATOM 310 CB LEU A 326 9.644 9.515 -16.555 1.00 0.00 C ATOM 311 CG LEU A 326 8.986 10.869 -16.854 1.00 0.00 C ATOM 312 CD1 LEU A 326 7.503 10.665 -17.185 1.00 0.00 C ATOM 313 CD2 LEU A 326 9.114 11.786 -15.633 1.00 0.00 C ATOM 0 H LEU A 326 10.971 8.412 -14.878 1.00 0.00 H new ATOM 0 HA LEU A 326 8.279 9.523 -14.849 1.00 0.00 H new ATOM 0 HB2 LEU A 326 10.699 9.659 -16.320 1.00 0.00 H new ATOM 0 HB3 LEU A 326 9.598 8.877 -17.438 1.00 0.00 H new ATOM 0 HG LEU A 326 9.486 11.327 -17.707 1.00 0.00 H new ATOM 0 HD11 LEU A 326 7.041 11.630 -17.396 1.00 0.00 H new ATOM 0 HD12 LEU A 326 7.411 10.019 -18.058 1.00 0.00 H new ATOM 0 HD13 LEU A 326 7.001 10.201 -16.336 1.00 0.00 H new ATOM 0 HD21 LEU A 326 8.646 12.746 -15.849 1.00 0.00 H new ATOM 0 HD22 LEU A 326 8.619 11.325 -14.778 1.00 0.00 H new ATOM 0 HD23 LEU A 326 10.168 11.940 -15.402 1.00 0.00 H new ATOM 325 N GLU A 327 6.859 7.565 -15.357 1.00 0.00 N ATOM 326 CA GLU A 327 5.950 6.457 -15.777 1.00 0.00 C ATOM 327 C GLU A 327 4.541 6.999 -16.063 1.00 0.00 C ATOM 328 O GLU A 327 3.992 6.648 -17.096 1.00 0.00 O ATOM 329 CB GLU A 327 5.928 5.497 -14.585 1.00 0.00 C ATOM 330 CG GLU A 327 5.831 4.054 -15.085 1.00 0.00 C ATOM 331 CD GLU A 327 4.413 3.527 -14.857 1.00 0.00 C ATOM 332 OE1 GLU A 327 4.137 3.085 -13.753 1.00 0.00 O ATOM 333 OE2 GLU A 327 3.628 3.575 -15.789 1.00 0.00 O ATOM 334 OXT GLU A 327 4.036 7.756 -15.246 1.00 0.00 O ATOM 0 H GLU A 327 6.469 8.202 -14.662 1.00 0.00 H new ATOM 0 HA GLU A 327 6.288 5.968 -16.691 1.00 0.00 H new ATOM 0 HB2 GLU A 327 6.830 5.625 -13.987 1.00 0.00 H new ATOM 0 HB3 GLU A 327 5.081 5.725 -13.938 1.00 0.00 H new ATOM 0 HG2 GLU A 327 6.081 4.008 -16.145 1.00 0.00 H new ATOM 0 HG3 GLU A 327 6.552 3.427 -14.560 1.00 0.00 H new TER 341 GLU A 327