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 154:sc= -0.779 (180deg=-1.79!) USER MOD Single : A 321 TYR OH : rot 165:sc= 0 USER MOD Single : A 322 ASN : amide:sc= -0.106 X(o=-0.11,f=-0.47) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 308 3.964 -14.216 -2.889 1.00 0.00 N ATOM 2 CA LYS A 308 2.631 -13.594 -2.614 1.00 0.00 C ATOM 3 C LYS A 308 2.788 -12.092 -2.351 1.00 0.00 C ATOM 4 O LYS A 308 3.836 -11.633 -1.936 1.00 0.00 O ATOM 5 CB LYS A 308 2.104 -14.305 -1.361 1.00 0.00 C ATOM 6 CG LYS A 308 1.118 -15.405 -1.768 1.00 0.00 C ATOM 7 CD LYS A 308 -0.287 -14.812 -1.914 1.00 0.00 C ATOM 8 CE LYS A 308 -1.026 -14.900 -0.574 1.00 0.00 C ATOM 9 NZ LYS A 308 -2.298 -14.146 -0.778 1.00 0.00 N ATOM 0 HA LYS A 308 1.949 -13.700 -3.458 1.00 0.00 H new ATOM 0 HB2 LYS A 308 2.933 -14.736 -0.800 1.00 0.00 H new ATOM 0 HB3 LYS A 308 1.613 -13.588 -0.704 1.00 0.00 H new ATOM 0 HG2 LYS A 308 1.432 -15.858 -2.709 1.00 0.00 H new ATOM 0 HG3 LYS A 308 1.113 -16.197 -1.019 1.00 0.00 H new ATOM 0 HD2 LYS A 308 -0.222 -13.773 -2.237 1.00 0.00 H new ATOM 0 HD3 LYS A 308 -0.842 -15.351 -2.682 1.00 0.00 H new ATOM 0 HE2 LYS A 308 -1.222 -15.937 -0.300 1.00 0.00 H new ATOM 0 HE3 LYS A 308 -0.435 -14.464 0.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 308 -2.856 -14.164 0.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 308 -2.081 -13.161 -1.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 308 -2.844 -14.588 -1.545 1.00 0.00 H new ATOM 22 N PHE A 309 1.751 -11.325 -2.586 1.00 0.00 N ATOM 23 CA PHE A 309 1.834 -9.851 -2.351 1.00 0.00 C ATOM 24 C PHE A 309 0.669 -9.388 -1.460 1.00 0.00 C ATOM 25 O PHE A 309 -0.433 -9.184 -1.937 1.00 0.00 O ATOM 26 CB PHE A 309 1.738 -9.222 -3.745 1.00 0.00 C ATOM 27 CG PHE A 309 2.207 -7.788 -3.684 1.00 0.00 C ATOM 28 CD1 PHE A 309 3.576 -7.501 -3.608 1.00 0.00 C ATOM 29 CD2 PHE A 309 1.274 -6.745 -3.702 1.00 0.00 C ATOM 30 CE1 PHE A 309 4.010 -6.172 -3.551 1.00 0.00 C ATOM 31 CE2 PHE A 309 1.709 -5.416 -3.646 1.00 0.00 C ATOM 32 CZ PHE A 309 3.077 -5.129 -3.569 1.00 0.00 C ATOM 0 H PHE A 309 0.850 -11.657 -2.931 1.00 0.00 H new ATOM 0 HA PHE A 309 2.752 -9.563 -1.840 1.00 0.00 H new ATOM 0 HB2 PHE A 309 2.347 -9.785 -4.452 1.00 0.00 H new ATOM 0 HB3 PHE A 309 0.710 -9.265 -4.105 1.00 0.00 H new ATOM 0 HD1 PHE A 309 4.296 -8.305 -3.593 1.00 0.00 H new ATOM 0 HD2 PHE A 309 0.218 -6.966 -3.759 1.00 0.00 H new ATOM 0 HE1 PHE A 309 5.066 -5.951 -3.493 1.00 0.00 H new ATOM 0 HE2 PHE A 309 0.989 -4.611 -3.662 1.00 0.00 H new ATOM 0 HZ PHE A 309 3.412 -4.103 -3.524 1.00 0.00 H new ATOM 42 N PRO A 310 0.954 -9.238 -0.187 1.00 0.00 N ATOM 43 CA PRO A 310 -0.083 -8.795 0.780 1.00 0.00 C ATOM 44 C PRO A 310 -0.355 -7.291 0.627 1.00 0.00 C ATOM 45 O PRO A 310 0.528 -6.521 0.294 1.00 0.00 O ATOM 46 CB PRO A 310 0.542 -9.098 2.139 1.00 0.00 C ATOM 47 CG PRO A 310 2.019 -9.087 1.904 1.00 0.00 C ATOM 48 CD PRO A 310 2.251 -9.468 0.464 1.00 0.00 C ATOM 0 HA PRO A 310 -1.042 -9.292 0.636 1.00 0.00 H new ATOM 0 HB2 PRO A 310 0.256 -8.351 2.879 1.00 0.00 H new ATOM 0 HB3 PRO A 310 0.211 -10.065 2.518 1.00 0.00 H new ATOM 0 HG2 PRO A 310 2.433 -8.100 2.111 1.00 0.00 H new ATOM 0 HG3 PRO A 310 2.519 -9.789 2.572 1.00 0.00 H new ATOM 0 HD2 PRO A 310 3.035 -8.860 0.013 1.00 0.00 H new ATOM 0 HD3 PRO A 310 2.562 -10.509 0.373 1.00 0.00 H new ATOM 56 N ARG A 311 -1.571 -6.868 0.876 1.00 0.00 N ATOM 57 CA ARG A 311 -1.905 -5.416 0.751 1.00 0.00 C ATOM 58 C ARG A 311 -1.824 -4.731 2.125 1.00 0.00 C ATOM 59 O ARG A 311 -2.676 -3.939 2.486 1.00 0.00 O ATOM 60 CB ARG A 311 -3.338 -5.380 0.209 1.00 0.00 C ATOM 61 CG ARG A 311 -3.329 -5.678 -1.295 1.00 0.00 C ATOM 62 CD ARG A 311 -3.326 -4.364 -2.083 1.00 0.00 C ATOM 63 NE ARG A 311 -4.741 -3.890 -2.067 1.00 0.00 N ATOM 64 CZ ARG A 311 -5.017 -2.652 -2.379 1.00 0.00 C ATOM 65 NH1 ARG A 311 -4.917 -1.712 -1.476 1.00 0.00 N ATOM 66 NH2 ARG A 311 -5.398 -2.356 -3.594 1.00 0.00 N ATOM 0 H ARG A 311 -2.346 -7.467 1.160 1.00 0.00 H new ATOM 0 HA ARG A 311 -1.212 -4.888 0.095 1.00 0.00 H new ATOM 0 HB2 ARG A 311 -3.953 -6.113 0.731 1.00 0.00 H new ATOM 0 HB3 ARG A 311 -3.782 -4.402 0.393 1.00 0.00 H new ATOM 0 HG2 ARG A 311 -2.451 -6.270 -1.553 1.00 0.00 H new ATOM 0 HG3 ARG A 311 -4.203 -6.272 -1.563 1.00 0.00 H new ATOM 0 HD2 ARG A 311 -2.661 -3.632 -1.624 1.00 0.00 H new ATOM 0 HD3 ARG A 311 -2.975 -4.518 -3.103 1.00 0.00 H new ATOM 0 HE ARG A 311 -5.492 -4.532 -1.813 1.00 0.00 H new ATOM 0 HH11 ARG A 311 -4.623 -1.945 -0.527 1.00 0.00 H new ATOM 0 HH12 ARG A 311 -5.133 -0.745 -1.720 1.00 0.00 H new ATOM 0 HH21 ARG A 311 -5.479 -3.091 -4.296 1.00 0.00 H new ATOM 0 HH22 ARG A 311 -5.614 -1.390 -3.840 1.00 0.00 H new ATOM 80 N ALA A 312 -0.800 -5.026 2.889 1.00 0.00 N ATOM 81 CA ALA A 312 -0.654 -4.393 4.234 1.00 0.00 C ATOM 82 C ALA A 312 0.262 -3.168 4.138 1.00 0.00 C ATOM 83 O ALA A 312 1.419 -3.214 4.517 1.00 0.00 O ATOM 84 CB ALA A 312 -0.029 -5.476 5.119 1.00 0.00 C ATOM 0 H ALA A 312 -0.058 -5.679 2.637 1.00 0.00 H new ATOM 0 HA ALA A 312 -1.605 -4.046 4.638 1.00 0.00 H new ATOM 0 HB1 ALA A 312 0.110 -5.086 6.127 1.00 0.00 H new ATOM 0 HB2 ALA A 312 -0.688 -6.343 5.153 1.00 0.00 H new ATOM 0 HB3 ALA A 312 0.936 -5.770 4.707 1.00 0.00 H new ATOM 90 N MET A 313 -0.252 -2.073 3.624 1.00 0.00 N ATOM 91 CA MET A 313 0.567 -0.824 3.482 1.00 0.00 C ATOM 92 C MET A 313 1.837 -1.104 2.654 1.00 0.00 C ATOM 93 O MET A 313 2.934 -1.134 3.183 1.00 0.00 O ATOM 94 CB MET A 313 0.921 -0.403 4.916 1.00 0.00 C ATOM 95 CG MET A 313 0.552 1.068 5.125 1.00 0.00 C ATOM 96 SD MET A 313 1.122 1.608 6.757 1.00 0.00 S ATOM 97 CE MET A 313 1.282 3.371 6.376 1.00 0.00 C ATOM 0 H MET A 313 -1.214 -1.991 3.294 1.00 0.00 H new ATOM 0 HA MET A 313 0.026 -0.036 2.959 1.00 0.00 H new ATOM 0 HB2 MET A 313 0.387 -1.028 5.632 1.00 0.00 H new ATOM 0 HB3 MET A 313 1.986 -0.551 5.097 1.00 0.00 H new ATOM 0 HG2 MET A 313 1.007 1.682 4.348 1.00 0.00 H new ATOM 0 HG3 MET A 313 -0.527 1.198 5.043 1.00 0.00 H new ATOM 0 HE1 MET A 313 1.170 3.953 7.291 1.00 0.00 H new ATOM 0 HE2 MET A 313 2.264 3.562 5.943 1.00 0.00 H new ATOM 0 HE3 MET A 313 0.509 3.661 5.665 1.00 0.00 H new ATOM 107 N PRO A 314 1.639 -1.300 1.368 1.00 0.00 N ATOM 108 CA PRO A 314 2.775 -1.581 0.451 1.00 0.00 C ATOM 109 C PRO A 314 3.600 -0.313 0.192 1.00 0.00 C ATOM 110 O PRO A 314 3.401 0.709 0.819 1.00 0.00 O ATOM 111 CB PRO A 314 2.095 -2.060 -0.828 1.00 0.00 C ATOM 112 CG PRO A 314 0.724 -1.462 -0.791 1.00 0.00 C ATOM 113 CD PRO A 314 0.353 -1.277 0.658 1.00 0.00 C ATOM 0 HA PRO A 314 3.475 -2.311 0.857 1.00 0.00 H new ATOM 0 HB2 PRO A 314 2.643 -1.733 -1.712 1.00 0.00 H new ATOM 0 HB3 PRO A 314 2.049 -3.148 -0.866 1.00 0.00 H new ATOM 0 HG2 PRO A 314 0.707 -0.507 -1.317 1.00 0.00 H new ATOM 0 HG3 PRO A 314 0.007 -2.114 -1.291 1.00 0.00 H new ATOM 0 HD2 PRO A 314 -0.172 -0.335 0.817 1.00 0.00 H new ATOM 0 HD3 PRO A 314 -0.307 -2.072 1.004 1.00 0.00 H new ATOM 121 N ILE A 315 4.526 -0.377 -0.730 1.00 0.00 N ATOM 122 CA ILE A 315 5.372 0.822 -1.034 1.00 0.00 C ATOM 123 C ILE A 315 4.605 1.796 -1.933 1.00 0.00 C ATOM 124 O ILE A 315 4.552 2.983 -1.672 1.00 0.00 O ATOM 125 CB ILE A 315 6.620 0.294 -1.767 1.00 0.00 C ATOM 126 CG1 ILE A 315 7.177 -0.955 -1.063 1.00 0.00 C ATOM 127 CG2 ILE A 315 7.697 1.382 -1.782 1.00 0.00 C ATOM 128 CD1 ILE A 315 7.407 -0.665 0.422 1.00 0.00 C ATOM 0 H ILE A 315 4.735 -1.206 -1.287 1.00 0.00 H new ATOM 0 HA ILE A 315 5.642 1.358 -0.124 1.00 0.00 H new ATOM 0 HB ILE A 315 6.338 0.028 -2.786 1.00 0.00 H new ATOM 0 HG12 ILE A 315 6.481 -1.786 -1.175 1.00 0.00 H new ATOM 0 HG13 ILE A 315 8.113 -1.258 -1.531 1.00 0.00 H new ATOM 0 HG21 ILE A 315 8.581 1.011 -2.300 1.00 0.00 H new ATOM 0 HG22 ILE A 315 7.317 2.263 -2.298 1.00 0.00 H new ATOM 0 HG23 ILE A 315 7.961 1.647 -0.758 1.00 0.00 H new ATOM 0 HD11 ILE A 315 7.801 -1.556 0.910 1.00 0.00 H new ATOM 0 HD12 ILE A 315 8.121 0.152 0.527 1.00 0.00 H new ATOM 0 HD13 ILE A 315 6.463 -0.384 0.888 1.00 0.00 H new ATOM 140 N TRP A 316 4.019 1.296 -2.992 1.00 0.00 N ATOM 141 CA TRP A 316 3.255 2.183 -3.927 1.00 0.00 C ATOM 142 C TRP A 316 2.025 2.793 -3.237 1.00 0.00 C ATOM 143 O TRP A 316 1.614 3.892 -3.557 1.00 0.00 O ATOM 144 CB TRP A 316 2.848 1.290 -5.115 1.00 0.00 C ATOM 145 CG TRP A 316 1.848 0.254 -4.693 1.00 0.00 C ATOM 146 CD1 TRP A 316 2.153 -0.980 -4.227 1.00 0.00 C ATOM 147 CD2 TRP A 316 0.393 0.339 -4.704 1.00 0.00 C ATOM 148 NE1 TRP A 316 0.977 -1.654 -3.948 1.00 0.00 N ATOM 149 CE2 TRP A 316 -0.134 -0.884 -4.224 1.00 0.00 C ATOM 150 CE3 TRP A 316 -0.513 1.350 -5.077 1.00 0.00 C ATOM 151 CZ2 TRP A 316 -1.509 -1.096 -4.119 1.00 0.00 C ATOM 152 CZ3 TRP A 316 -1.897 1.138 -4.972 1.00 0.00 C ATOM 153 CH2 TRP A 316 -2.395 -0.082 -4.495 1.00 0.00 C ATOM 0 H TRP A 316 4.036 0.310 -3.251 1.00 0.00 H new ATOM 0 HA TRP A 316 3.860 3.028 -4.257 1.00 0.00 H new ATOM 0 HB2 TRP A 316 2.426 1.906 -5.909 1.00 0.00 H new ATOM 0 HB3 TRP A 316 3.731 0.801 -5.526 1.00 0.00 H new ATOM 0 HD1 TRP A 316 3.150 -1.374 -4.095 1.00 0.00 H new ATOM 0 HE1 TRP A 316 0.936 -2.605 -3.582 1.00 0.00 H new ATOM 0 HE3 TRP A 316 -0.141 2.294 -5.446 1.00 0.00 H new ATOM 0 HZ2 TRP A 316 -1.887 -2.038 -3.749 1.00 0.00 H new ATOM 0 HZ3 TRP A 316 -2.583 1.921 -5.261 1.00 0.00 H new ATOM 0 HH2 TRP A 316 -3.461 -0.239 -4.418 1.00 0.00 H new ATOM 164 N ALA A 317 1.449 2.103 -2.285 1.00 0.00 N ATOM 165 CA ALA A 317 0.259 2.661 -1.570 1.00 0.00 C ATOM 166 C ALA A 317 0.660 3.058 -0.145 1.00 0.00 C ATOM 167 O ALA A 317 0.288 2.420 0.824 1.00 0.00 O ATOM 168 CB ALA A 317 -0.774 1.530 -1.558 1.00 0.00 C ATOM 0 H ALA A 317 1.750 1.180 -1.972 1.00 0.00 H new ATOM 0 HA ALA A 317 -0.142 3.553 -2.051 1.00 0.00 H new ATOM 0 HB1 ALA A 317 -1.677 1.867 -1.048 1.00 0.00 H new ATOM 0 HB2 ALA A 317 -1.019 1.250 -2.583 1.00 0.00 H new ATOM 0 HB3 ALA A 317 -0.362 0.667 -1.035 1.00 0.00 H new ATOM 174 N ARG A 318 1.428 4.111 -0.015 1.00 0.00 N ATOM 175 CA ARG A 318 1.870 4.559 1.339 1.00 0.00 C ATOM 176 C ARG A 318 1.617 6.062 1.520 1.00 0.00 C ATOM 177 O ARG A 318 2.100 6.865 0.743 1.00 0.00 O ATOM 178 CB ARG A 318 3.370 4.257 1.382 1.00 0.00 C ATOM 179 CG ARG A 318 3.824 4.115 2.837 1.00 0.00 C ATOM 180 CD ARG A 318 3.506 2.702 3.337 1.00 0.00 C ATOM 181 NE ARG A 318 4.735 2.255 4.053 1.00 0.00 N ATOM 182 CZ ARG A 318 5.708 1.683 3.396 1.00 0.00 C ATOM 183 NH1 ARG A 318 5.702 0.388 3.215 1.00 0.00 N ATOM 184 NH2 ARG A 318 6.681 2.412 2.915 1.00 0.00 N ATOM 0 H ARG A 318 1.768 4.680 -0.790 1.00 0.00 H new ATOM 0 HA ARG A 318 1.326 4.054 2.137 1.00 0.00 H new ATOM 0 HB2 ARG A 318 3.582 3.340 0.833 1.00 0.00 H new ATOM 0 HB3 ARG A 318 3.926 5.057 0.893 1.00 0.00 H new ATOM 0 HG2 ARG A 318 4.894 4.308 2.915 1.00 0.00 H new ATOM 0 HG3 ARG A 318 3.321 4.854 3.460 1.00 0.00 H new ATOM 0 HD2 ARG A 318 2.642 2.705 4.002 1.00 0.00 H new ATOM 0 HD3 ARG A 318 3.269 2.035 2.508 1.00 0.00 H new ATOM 0 HE ARG A 318 4.816 2.396 5.060 1.00 0.00 H new ATOM 0 HH11 ARG A 318 4.937 -0.175 3.587 1.00 0.00 H new ATOM 0 HH12 ARG A 318 6.462 -0.059 2.702 1.00 0.00 H new ATOM 0 HH21 ARG A 318 6.678 3.423 3.054 1.00 0.00 H new ATOM 0 HH22 ARG A 318 7.443 1.970 2.401 1.00 0.00 H new ATOM 198 N PRO A 319 0.875 6.393 2.551 1.00 0.00 N ATOM 199 CA PRO A 319 0.572 7.817 2.846 1.00 0.00 C ATOM 200 C PRO A 319 1.787 8.511 3.480 1.00 0.00 C ATOM 201 O PRO A 319 2.079 9.656 3.192 1.00 0.00 O ATOM 202 CB PRO A 319 -0.586 7.738 3.837 1.00 0.00 C ATOM 203 CG PRO A 319 -0.457 6.398 4.493 1.00 0.00 C ATOM 204 CD PRO A 319 0.253 5.485 3.524 1.00 0.00 C ATOM 0 HA PRO A 319 0.328 8.394 1.954 1.00 0.00 H new ATOM 0 HB2 PRO A 319 -0.530 8.542 4.571 1.00 0.00 H new ATOM 0 HB3 PRO A 319 -1.545 7.836 3.329 1.00 0.00 H new ATOM 0 HG2 PRO A 319 0.104 6.479 5.424 1.00 0.00 H new ATOM 0 HG3 PRO A 319 -1.439 5.999 4.746 1.00 0.00 H new ATOM 0 HD2 PRO A 319 1.000 4.873 4.030 1.00 0.00 H new ATOM 0 HD3 PRO A 319 -0.444 4.801 3.040 1.00 0.00 H new ATOM 212 N ASP A 320 2.489 7.819 4.339 1.00 0.00 N ATOM 213 CA ASP A 320 3.688 8.417 5.009 1.00 0.00 C ATOM 214 C ASP A 320 4.978 7.795 4.451 1.00 0.00 C ATOM 215 O ASP A 320 5.896 7.485 5.189 1.00 0.00 O ATOM 216 CB ASP A 320 3.522 8.079 6.497 1.00 0.00 C ATOM 217 CG ASP A 320 2.271 8.769 7.051 1.00 0.00 C ATOM 218 OD1 ASP A 320 2.385 9.908 7.472 1.00 0.00 O ATOM 219 OD2 ASP A 320 1.222 8.145 7.045 1.00 0.00 O ATOM 0 H ASP A 320 2.283 6.857 4.609 1.00 0.00 H new ATOM 0 HA ASP A 320 3.761 9.492 4.842 1.00 0.00 H new ATOM 0 HB2 ASP A 320 3.441 7.000 6.627 1.00 0.00 H new ATOM 0 HB3 ASP A 320 4.402 8.402 7.053 1.00 0.00 H new ATOM 224 N TYR A 321 5.049 7.602 3.153 1.00 0.00 N ATOM 225 CA TYR A 321 6.274 6.994 2.543 1.00 0.00 C ATOM 226 C TYR A 321 7.528 7.786 2.941 1.00 0.00 C ATOM 227 O TYR A 321 7.609 8.985 2.749 1.00 0.00 O ATOM 228 CB TYR A 321 6.048 7.063 1.029 1.00 0.00 C ATOM 229 CG TYR A 321 7.252 6.496 0.312 1.00 0.00 C ATOM 230 CD1 TYR A 321 7.551 5.132 0.415 1.00 0.00 C ATOM 231 CD2 TYR A 321 8.072 7.336 -0.452 1.00 0.00 C ATOM 232 CE1 TYR A 321 8.667 4.608 -0.244 1.00 0.00 C ATOM 233 CE2 TYR A 321 9.189 6.811 -1.111 1.00 0.00 C ATOM 234 CZ TYR A 321 9.486 5.448 -1.008 1.00 0.00 C ATOM 235 OH TYR A 321 10.588 4.931 -1.657 1.00 0.00 O ATOM 0 H TYR A 321 4.310 7.840 2.491 1.00 0.00 H new ATOM 0 HA TYR A 321 6.432 5.971 2.883 1.00 0.00 H new ATOM 0 HB2 TYR A 321 5.153 6.502 0.758 1.00 0.00 H new ATOM 0 HB3 TYR A 321 5.882 8.096 0.722 1.00 0.00 H new ATOM 0 HD1 TYR A 321 6.919 4.484 1.004 1.00 0.00 H new ATOM 0 HD2 TYR A 321 7.842 8.388 -0.532 1.00 0.00 H new ATOM 0 HE1 TYR A 321 8.897 3.556 -0.164 1.00 0.00 H new ATOM 0 HE2 TYR A 321 9.822 7.458 -1.699 1.00 0.00 H new ATOM 0 HH TYR A 321 10.908 5.575 -2.323 1.00 0.00 H new ATOM 245 N ASN A 322 8.500 7.111 3.497 1.00 0.00 N ATOM 246 CA ASN A 322 9.762 7.795 3.920 1.00 0.00 C ATOM 247 C ASN A 322 10.533 8.315 2.694 1.00 0.00 C ATOM 248 O ASN A 322 10.354 7.818 1.598 1.00 0.00 O ATOM 249 CB ASN A 322 10.576 6.721 4.659 1.00 0.00 C ATOM 250 CG ASN A 322 11.082 5.665 3.667 1.00 0.00 C ATOM 251 OD1 ASN A 322 12.121 5.836 3.061 1.00 0.00 O ATOM 252 ND2 ASN A 322 10.392 4.572 3.477 1.00 0.00 N ATOM 0 H ASN A 322 8.475 6.108 3.678 1.00 0.00 H new ATOM 0 HA ASN A 322 9.564 8.660 4.553 1.00 0.00 H new ATOM 0 HB2 ASN A 322 11.420 7.182 5.172 1.00 0.00 H new ATOM 0 HB3 ASN A 322 9.959 6.247 5.422 1.00 0.00 H new ATOM 0 HD21 ASN A 322 10.726 3.865 2.822 1.00 0.00 H new ATOM 0 HD22 ASN A 322 9.519 4.425 3.984 1.00 0.00 H new ATOM 259 N PRO A 323 11.372 9.298 2.924 1.00 0.00 N ATOM 260 CA PRO A 323 12.180 9.884 1.823 1.00 0.00 C ATOM 261 C PRO A 323 13.298 8.914 1.405 1.00 0.00 C ATOM 262 O PRO A 323 14.168 8.601 2.197 1.00 0.00 O ATOM 263 CB PRO A 323 12.758 11.155 2.439 1.00 0.00 C ATOM 264 CG PRO A 323 12.775 10.899 3.913 1.00 0.00 C ATOM 265 CD PRO A 323 11.641 9.952 4.212 1.00 0.00 C ATOM 0 HA PRO A 323 11.600 10.082 0.922 1.00 0.00 H new ATOM 0 HB2 PRO A 323 13.761 11.355 2.062 1.00 0.00 H new ATOM 0 HB3 PRO A 323 12.147 12.024 2.197 1.00 0.00 H new ATOM 0 HG2 PRO A 323 13.728 10.467 4.218 1.00 0.00 H new ATOM 0 HG3 PRO A 323 12.655 11.830 4.467 1.00 0.00 H new ATOM 0 HD2 PRO A 323 11.918 9.227 4.977 1.00 0.00 H new ATOM 0 HD3 PRO A 323 10.764 10.484 4.580 1.00 0.00 H new ATOM 273 N PRO A 324 13.236 8.468 0.169 1.00 0.00 N ATOM 274 CA PRO A 324 14.258 7.522 -0.352 1.00 0.00 C ATOM 275 C PRO A 324 15.579 8.247 -0.650 1.00 0.00 C ATOM 276 O PRO A 324 15.758 9.402 -0.308 1.00 0.00 O ATOM 277 CB PRO A 324 13.628 6.989 -1.638 1.00 0.00 C ATOM 278 CG PRO A 324 12.664 8.047 -2.075 1.00 0.00 C ATOM 279 CD PRO A 324 12.221 8.794 -0.843 1.00 0.00 C ATOM 0 HA PRO A 324 14.507 6.734 0.359 1.00 0.00 H new ATOM 0 HB2 PRO A 324 14.385 6.808 -2.401 1.00 0.00 H new ATOM 0 HB3 PRO A 324 13.119 6.041 -1.463 1.00 0.00 H new ATOM 0 HG2 PRO A 324 13.136 8.726 -2.786 1.00 0.00 H new ATOM 0 HG3 PRO A 324 11.808 7.600 -2.581 1.00 0.00 H new ATOM 0 HD2 PRO A 324 12.173 9.868 -1.025 1.00 0.00 H new ATOM 0 HD3 PRO A 324 11.227 8.480 -0.524 1.00 0.00 H new ATOM 287 N LEU A 325 16.503 7.571 -1.289 1.00 0.00 N ATOM 288 CA LEU A 325 17.819 8.207 -1.616 1.00 0.00 C ATOM 289 C LEU A 325 17.691 9.116 -2.847 1.00 0.00 C ATOM 290 O LEU A 325 16.683 9.115 -3.530 1.00 0.00 O ATOM 291 CB LEU A 325 18.768 7.041 -1.912 1.00 0.00 C ATOM 292 CG LEU A 325 19.222 6.396 -0.598 1.00 0.00 C ATOM 293 CD1 LEU A 325 19.767 4.995 -0.878 1.00 0.00 C ATOM 294 CD2 LEU A 325 20.322 7.250 0.039 1.00 0.00 C ATOM 0 H LEU A 325 16.403 6.604 -1.599 1.00 0.00 H new ATOM 0 HA LEU A 325 18.180 8.832 -0.799 1.00 0.00 H new ATOM 0 HB2 LEU A 325 18.267 6.302 -2.537 1.00 0.00 H new ATOM 0 HB3 LEU A 325 19.633 7.397 -2.471 1.00 0.00 H new ATOM 0 HG LEU A 325 18.373 6.328 0.083 1.00 0.00 H new ATOM 0 HD11 LEU A 325 20.090 4.537 0.057 1.00 0.00 H new ATOM 0 HD12 LEU A 325 18.986 4.384 -1.331 1.00 0.00 H new ATOM 0 HD13 LEU A 325 20.615 5.064 -1.560 1.00 0.00 H new ATOM 0 HD21 LEU A 325 20.644 6.790 0.973 1.00 0.00 H new ATOM 0 HD22 LEU A 325 21.170 7.319 -0.643 1.00 0.00 H new ATOM 0 HD23 LEU A 325 19.936 8.249 0.240 1.00 0.00 H new ATOM 306 N LEU A 326 18.710 9.889 -3.133 1.00 0.00 N ATOM 307 CA LEU A 326 18.659 10.800 -4.318 1.00 0.00 C ATOM 308 C LEU A 326 18.821 9.991 -5.611 1.00 0.00 C ATOM 309 O LEU A 326 19.912 9.581 -5.967 1.00 0.00 O ATOM 310 CB LEU A 326 19.831 11.771 -4.136 1.00 0.00 C ATOM 311 CG LEU A 326 19.672 12.954 -5.095 1.00 0.00 C ATOM 312 CD1 LEU A 326 19.280 14.205 -4.307 1.00 0.00 C ATOM 313 CD2 LEU A 326 20.996 13.204 -5.821 1.00 0.00 C ATOM 0 H LEU A 326 19.576 9.928 -2.596 1.00 0.00 H new ATOM 0 HA LEU A 326 17.709 11.329 -4.390 1.00 0.00 H new ATOM 0 HB2 LEU A 326 19.865 12.127 -3.106 1.00 0.00 H new ATOM 0 HB3 LEU A 326 20.774 11.259 -4.328 1.00 0.00 H new ATOM 0 HG LEU A 326 18.894 12.726 -5.823 1.00 0.00 H new ATOM 0 HD11 LEU A 326 19.167 15.046 -4.992 1.00 0.00 H new ATOM 0 HD12 LEU A 326 18.337 14.029 -3.790 1.00 0.00 H new ATOM 0 HD13 LEU A 326 20.056 14.433 -3.577 1.00 0.00 H new ATOM 0 HD21 LEU A 326 20.883 14.046 -6.504 1.00 0.00 H new ATOM 0 HD22 LEU A 326 21.774 13.430 -5.092 1.00 0.00 H new ATOM 0 HD23 LEU A 326 21.275 12.314 -6.385 1.00 0.00 H new ATOM 325 N GLU A 327 17.741 9.761 -6.311 1.00 0.00 N ATOM 326 CA GLU A 327 17.816 8.979 -7.585 1.00 0.00 C ATOM 327 C GLU A 327 18.142 9.910 -8.761 1.00 0.00 C ATOM 328 O GLU A 327 17.583 10.995 -8.811 1.00 0.00 O ATOM 329 CB GLU A 327 16.426 8.353 -7.755 1.00 0.00 C ATOM 330 CG GLU A 327 16.150 7.387 -6.595 1.00 0.00 C ATOM 331 CD GLU A 327 14.688 6.929 -6.638 1.00 0.00 C ATOM 332 OE1 GLU A 327 13.818 7.749 -6.380 1.00 0.00 O ATOM 333 OE2 GLU A 327 14.462 5.765 -6.921 1.00 0.00 O ATOM 334 OXT GLU A 327 18.951 9.524 -9.590 1.00 0.00 O ATOM 0 H GLU A 327 16.807 10.081 -6.056 1.00 0.00 H new ATOM 0 HA GLU A 327 18.599 8.221 -7.558 1.00 0.00 H new ATOM 0 HB2 GLU A 327 15.665 9.133 -7.780 1.00 0.00 H new ATOM 0 HB3 GLU A 327 16.369 7.822 -8.705 1.00 0.00 H new ATOM 0 HG2 GLU A 327 16.813 6.524 -6.662 1.00 0.00 H new ATOM 0 HG3 GLU A 327 16.360 7.877 -5.644 1.00 0.00 H new TER 341 GLU A 327