USER MOD reduce.3.24.130724 H: found=0, std=0, add=169, rem=0, adj=1 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 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 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 308 1.490 -10.441 15.693 1.00 0.00 N ATOM 2 CA LYS A 308 0.887 -9.069 15.717 1.00 0.00 C ATOM 3 C LYS A 308 1.042 -8.378 14.350 1.00 0.00 C ATOM 4 O LYS A 308 1.207 -7.174 14.269 1.00 0.00 O ATOM 5 CB LYS A 308 1.651 -8.304 16.812 1.00 0.00 C ATOM 6 CG LYS A 308 3.129 -8.151 16.426 1.00 0.00 C ATOM 7 CD LYS A 308 3.981 -8.014 17.692 1.00 0.00 C ATOM 8 CE LYS A 308 4.258 -6.532 17.970 1.00 0.00 C ATOM 9 NZ LYS A 308 5.179 -6.517 19.144 1.00 0.00 N ATOM 0 HA LYS A 308 -0.183 -9.102 15.923 1.00 0.00 H new ATOM 0 HB2 LYS A 308 1.203 -7.321 16.958 1.00 0.00 H new ATOM 0 HB3 LYS A 308 1.569 -8.835 17.760 1.00 0.00 H new ATOM 0 HG2 LYS A 308 3.455 -9.016 15.848 1.00 0.00 H new ATOM 0 HG3 LYS A 308 3.260 -7.275 15.791 1.00 0.00 H new ATOM 0 HD2 LYS A 308 3.464 -8.463 18.540 1.00 0.00 H new ATOM 0 HD3 LYS A 308 4.921 -8.553 17.570 1.00 0.00 H new ATOM 0 HE2 LYS A 308 4.714 -6.048 17.106 1.00 0.00 H new ATOM 0 HE3 LYS A 308 3.336 -5.993 18.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 308 5.411 -5.534 19.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 308 4.716 -6.977 19.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 308 6.052 -7.030 18.907 1.00 0.00 H new ATOM 22 N PHE A 309 0.985 -9.130 13.276 1.00 0.00 N ATOM 23 CA PHE A 309 1.124 -8.522 11.913 1.00 0.00 C ATOM 24 C PHE A 309 0.371 -9.374 10.877 1.00 0.00 C ATOM 25 O PHE A 309 0.977 -10.030 10.052 1.00 0.00 O ATOM 26 CB PHE A 309 2.637 -8.487 11.604 1.00 0.00 C ATOM 27 CG PHE A 309 3.370 -9.612 12.312 1.00 0.00 C ATOM 28 CD1 PHE A 309 3.169 -10.942 11.923 1.00 0.00 C ATOM 29 CD2 PHE A 309 4.252 -9.318 13.360 1.00 0.00 C ATOM 30 CE1 PHE A 309 3.846 -11.976 12.581 1.00 0.00 C ATOM 31 CE2 PHE A 309 4.929 -10.351 14.017 1.00 0.00 C ATOM 32 CZ PHE A 309 4.726 -11.680 13.627 1.00 0.00 C ATOM 0 H PHE A 309 0.848 -10.141 13.284 1.00 0.00 H new ATOM 0 HA PHE A 309 0.699 -7.519 11.875 1.00 0.00 H new ATOM 0 HB2 PHE A 309 2.793 -8.569 10.528 1.00 0.00 H new ATOM 0 HB3 PHE A 309 3.052 -7.528 11.914 1.00 0.00 H new ATOM 0 HD1 PHE A 309 2.491 -11.171 11.114 1.00 0.00 H new ATOM 0 HD2 PHE A 309 4.409 -8.293 13.661 1.00 0.00 H new ATOM 0 HE1 PHE A 309 3.689 -13.002 12.281 1.00 0.00 H new ATOM 0 HE2 PHE A 309 5.608 -10.123 14.825 1.00 0.00 H new ATOM 0 HZ PHE A 309 5.249 -12.477 14.134 1.00 0.00 H new ATOM 42 N PRO A 310 -0.940 -9.335 10.958 1.00 0.00 N ATOM 43 CA PRO A 310 -1.789 -10.116 10.017 1.00 0.00 C ATOM 44 C PRO A 310 -1.782 -9.501 8.608 1.00 0.00 C ATOM 45 O PRO A 310 -2.109 -10.160 7.639 1.00 0.00 O ATOM 46 CB PRO A 310 -3.181 -10.035 10.639 1.00 0.00 C ATOM 47 CG PRO A 310 -3.168 -8.788 11.465 1.00 0.00 C ATOM 48 CD PRO A 310 -1.748 -8.570 11.920 1.00 0.00 C ATOM 0 HA PRO A 310 -1.436 -11.139 9.888 1.00 0.00 H new ATOM 0 HB2 PRO A 310 -3.954 -9.991 9.871 1.00 0.00 H new ATOM 0 HB3 PRO A 310 -3.390 -10.912 11.252 1.00 0.00 H new ATOM 0 HG2 PRO A 310 -3.520 -7.937 10.882 1.00 0.00 H new ATOM 0 HG3 PRO A 310 -3.836 -8.886 12.321 1.00 0.00 H new ATOM 0 HD2 PRO A 310 -1.484 -7.512 11.910 1.00 0.00 H new ATOM 0 HD3 PRO A 310 -1.597 -8.926 12.939 1.00 0.00 H new ATOM 56 N ARG A 311 -1.416 -8.249 8.486 1.00 0.00 N ATOM 57 CA ARG A 311 -1.391 -7.596 7.140 1.00 0.00 C ATOM 58 C ARG A 311 -0.129 -6.740 6.979 1.00 0.00 C ATOM 59 O ARG A 311 0.471 -6.313 7.948 1.00 0.00 O ATOM 60 CB ARG A 311 -2.644 -6.718 7.099 1.00 0.00 C ATOM 61 CG ARG A 311 -3.701 -7.370 6.203 1.00 0.00 C ATOM 62 CD ARG A 311 -5.065 -7.321 6.896 1.00 0.00 C ATOM 63 NE ARG A 311 -6.064 -7.399 5.791 1.00 0.00 N ATOM 64 CZ ARG A 311 -6.438 -8.562 5.326 1.00 0.00 C ATOM 65 NH1 ARG A 311 -7.347 -9.256 5.958 1.00 0.00 N ATOM 66 NH2 ARG A 311 -5.903 -9.028 4.226 1.00 0.00 N ATOM 0 H ARG A 311 -1.133 -7.650 9.261 1.00 0.00 H new ATOM 0 HA ARG A 311 -1.378 -8.328 6.332 1.00 0.00 H new ATOM 0 HB2 ARG A 311 -3.039 -6.584 8.106 1.00 0.00 H new ATOM 0 HB3 ARG A 311 -2.393 -5.727 6.720 1.00 0.00 H new ATOM 0 HG2 ARG A 311 -3.750 -6.852 5.245 1.00 0.00 H new ATOM 0 HG3 ARG A 311 -3.426 -8.404 5.992 1.00 0.00 H new ATOM 0 HD2 ARG A 311 -5.183 -8.150 7.594 1.00 0.00 H new ATOM 0 HD3 ARG A 311 -5.183 -6.402 7.470 1.00 0.00 H new ATOM 0 HE ARG A 311 -6.456 -6.543 5.398 1.00 0.00 H new ATOM 0 HH11 ARG A 311 -7.764 -8.890 6.814 1.00 0.00 H new ATOM 0 HH12 ARG A 311 -7.639 -10.164 5.596 1.00 0.00 H new ATOM 0 HH21 ARG A 311 -5.195 -8.484 3.733 1.00 0.00 H new ATOM 0 HH22 ARG A 311 -6.194 -9.935 3.862 1.00 0.00 H new ATOM 80 N ALA A 312 0.275 -6.487 5.757 1.00 0.00 N ATOM 81 CA ALA A 312 1.497 -5.657 5.518 1.00 0.00 C ATOM 82 C ALA A 312 1.184 -4.526 4.531 1.00 0.00 C ATOM 83 O ALA A 312 0.520 -4.730 3.530 1.00 0.00 O ATOM 84 CB ALA A 312 2.521 -6.622 4.918 1.00 0.00 C ATOM 0 H ALA A 312 -0.191 -6.821 4.913 1.00 0.00 H new ATOM 0 HA ALA A 312 1.863 -5.190 6.432 1.00 0.00 H new ATOM 0 HB1 ALA A 312 3.449 -6.087 4.714 1.00 0.00 H new ATOM 0 HB2 ALA A 312 2.716 -7.430 5.623 1.00 0.00 H new ATOM 0 HB3 ALA A 312 2.129 -7.037 3.989 1.00 0.00 H new ATOM 90 N MET A 313 1.659 -3.337 4.805 1.00 0.00 N ATOM 91 CA MET A 313 1.394 -2.190 3.883 1.00 0.00 C ATOM 92 C MET A 313 2.436 -2.165 2.754 1.00 0.00 C ATOM 93 O MET A 313 3.616 -2.328 3.003 1.00 0.00 O ATOM 94 CB MET A 313 1.514 -0.936 4.756 1.00 0.00 C ATOM 95 CG MET A 313 0.395 0.046 4.399 1.00 0.00 C ATOM 96 SD MET A 313 0.714 1.638 5.196 1.00 0.00 S ATOM 97 CE MET A 313 -0.987 2.256 5.160 1.00 0.00 C ATOM 0 H MET A 313 2.219 -3.111 5.627 1.00 0.00 H new ATOM 0 HA MET A 313 0.415 -2.261 3.410 1.00 0.00 H new ATOM 0 HB2 MET A 313 1.452 -1.207 5.810 1.00 0.00 H new ATOM 0 HB3 MET A 313 2.486 -0.466 4.604 1.00 0.00 H new ATOM 0 HG2 MET A 313 0.339 0.173 3.318 1.00 0.00 H new ATOM 0 HG3 MET A 313 -0.568 -0.349 4.724 1.00 0.00 H new ATOM 0 HE1 MET A 313 -1.024 3.247 5.612 1.00 0.00 H new ATOM 0 HE2 MET A 313 -1.331 2.315 4.127 1.00 0.00 H new ATOM 0 HE3 MET A 313 -1.632 1.578 5.719 1.00 0.00 H new ATOM 107 N PRO A 314 1.963 -1.960 1.545 1.00 0.00 N ATOM 108 CA PRO A 314 2.870 -1.913 0.367 1.00 0.00 C ATOM 109 C PRO A 314 3.622 -0.575 0.306 1.00 0.00 C ATOM 110 O PRO A 314 3.503 0.260 1.184 1.00 0.00 O ATOM 111 CB PRO A 314 1.924 -2.054 -0.820 1.00 0.00 C ATOM 112 CG PRO A 314 0.597 -1.562 -0.331 1.00 0.00 C ATOM 113 CD PRO A 314 0.557 -1.762 1.163 1.00 0.00 C ATOM 0 HA PRO A 314 3.637 -2.687 0.394 1.00 0.00 H new ATOM 0 HB2 PRO A 314 2.271 -1.468 -1.671 1.00 0.00 H new ATOM 0 HB3 PRO A 314 1.861 -3.091 -1.151 1.00 0.00 H new ATOM 0 HG2 PRO A 314 0.464 -0.509 -0.580 1.00 0.00 H new ATOM 0 HG3 PRO A 314 -0.214 -2.108 -0.812 1.00 0.00 H new ATOM 0 HD2 PRO A 314 0.126 -0.897 1.668 1.00 0.00 H new ATOM 0 HD3 PRO A 314 -0.053 -2.625 1.432 1.00 0.00 H new ATOM 121 N ILE A 315 4.395 -0.368 -0.733 1.00 0.00 N ATOM 122 CA ILE A 315 5.159 0.913 -0.865 1.00 0.00 C ATOM 123 C ILE A 315 4.449 1.855 -1.840 1.00 0.00 C ATOM 124 O ILE A 315 4.330 3.038 -1.587 1.00 0.00 O ATOM 125 CB ILE A 315 6.540 0.521 -1.405 1.00 0.00 C ATOM 126 CG1 ILE A 315 7.162 -0.559 -0.513 1.00 0.00 C ATOM 127 CG2 ILE A 315 7.454 1.749 -1.416 1.00 0.00 C ATOM 128 CD1 ILE A 315 7.496 -1.784 -1.363 1.00 0.00 C ATOM 0 H ILE A 315 4.530 -1.031 -1.496 1.00 0.00 H new ATOM 0 HA ILE A 315 5.237 1.437 0.088 1.00 0.00 H new ATOM 0 HB ILE A 315 6.428 0.135 -2.418 1.00 0.00 H new ATOM 0 HG12 ILE A 315 8.064 -0.177 -0.035 1.00 0.00 H new ATOM 0 HG13 ILE A 315 6.470 -0.832 0.284 1.00 0.00 H new ATOM 0 HG21 ILE A 315 8.435 1.469 -1.800 1.00 0.00 H new ATOM 0 HG22 ILE A 315 7.021 2.519 -2.054 1.00 0.00 H new ATOM 0 HG23 ILE A 315 7.558 2.134 -0.402 1.00 0.00 H new ATOM 0 HD11 ILE A 315 7.939 -2.555 -0.732 1.00 0.00 H new ATOM 0 HD12 ILE A 315 6.585 -2.169 -1.821 1.00 0.00 H new ATOM 0 HD13 ILE A 315 8.203 -1.503 -2.144 1.00 0.00 H new ATOM 140 N TRP A 316 3.975 1.338 -2.946 1.00 0.00 N ATOM 141 CA TRP A 316 3.266 2.204 -3.944 1.00 0.00 C ATOM 142 C TRP A 316 2.030 2.857 -3.308 1.00 0.00 C ATOM 143 O TRP A 316 1.621 3.932 -3.699 1.00 0.00 O ATOM 144 CB TRP A 316 2.879 1.274 -5.110 1.00 0.00 C ATOM 145 CG TRP A 316 1.837 0.282 -4.680 1.00 0.00 C ATOM 146 CD1 TRP A 316 2.094 -0.949 -4.180 1.00 0.00 C ATOM 147 CD2 TRP A 316 0.385 0.411 -4.718 1.00 0.00 C ATOM 148 NE1 TRP A 316 0.895 -1.578 -3.902 1.00 0.00 N ATOM 149 CE2 TRP A 316 -0.186 -0.781 -4.217 1.00 0.00 C ATOM 150 CE3 TRP A 316 -0.481 1.439 -5.132 1.00 0.00 C ATOM 151 CZ2 TRP A 316 -1.570 -0.949 -4.130 1.00 0.00 C ATOM 152 CZ3 TRP A 316 -1.873 1.274 -5.046 1.00 0.00 C ATOM 153 CH2 TRP A 316 -2.416 0.082 -4.546 1.00 0.00 C ATOM 0 H TRP A 316 4.047 0.354 -3.203 1.00 0.00 H new ATOM 0 HA TRP A 316 3.897 3.022 -4.293 1.00 0.00 H new ATOM 0 HB2 TRP A 316 2.501 1.867 -5.943 1.00 0.00 H new ATOM 0 HB3 TRP A 316 3.763 0.747 -5.469 1.00 0.00 H new ATOM 0 HD1 TRP A 316 3.076 -1.371 -4.024 1.00 0.00 H new ATOM 0 HE1 TRP A 316 0.819 -2.517 -3.511 1.00 0.00 H new ATOM 0 HE3 TRP A 316 -0.073 2.361 -5.519 1.00 0.00 H new ATOM 0 HZ2 TRP A 316 -1.983 -1.869 -3.744 1.00 0.00 H new ATOM 0 HZ3 TRP A 316 -2.529 2.070 -5.367 1.00 0.00 H new ATOM 0 HH2 TRP A 316 -3.487 -0.039 -4.482 1.00 0.00 H new ATOM 164 N ALA A 317 1.454 2.225 -2.315 1.00 0.00 N ATOM 165 CA ALA A 317 0.266 2.818 -1.632 1.00 0.00 C ATOM 166 C ALA A 317 0.663 3.231 -0.209 1.00 0.00 C ATOM 167 O ALA A 317 0.276 2.610 0.765 1.00 0.00 O ATOM 168 CB ALA A 317 -0.785 1.704 -1.608 1.00 0.00 C ATOM 0 H ALA A 317 1.757 1.323 -1.949 1.00 0.00 H new ATOM 0 HA ALA A 317 -0.116 3.706 -2.136 1.00 0.00 H new ATOM 0 HB1 ALA A 317 -1.689 2.067 -1.119 1.00 0.00 H new ATOM 0 HB2 ALA A 317 -1.020 1.403 -2.629 1.00 0.00 H new ATOM 0 HB3 ALA A 317 -0.395 0.847 -1.058 1.00 0.00 H new ATOM 174 N ARG A 318 1.447 4.273 -0.090 1.00 0.00 N ATOM 175 CA ARG A 318 1.895 4.738 1.253 1.00 0.00 C ATOM 176 C ARG A 318 1.645 6.240 1.413 1.00 0.00 C ATOM 177 O ARG A 318 1.416 6.937 0.441 1.00 0.00 O ATOM 178 CB ARG A 318 3.402 4.463 1.273 1.00 0.00 C ATOM 179 CG ARG A 318 3.702 3.251 2.153 1.00 0.00 C ATOM 180 CD ARG A 318 5.162 2.837 1.956 1.00 0.00 C ATOM 181 NE ARG A 318 5.920 3.564 3.014 1.00 0.00 N ATOM 182 CZ ARG A 318 6.304 2.928 4.088 1.00 0.00 C ATOM 183 NH1 ARG A 318 5.504 2.847 5.119 1.00 0.00 N ATOM 184 NH2 ARG A 318 7.487 2.373 4.127 1.00 0.00 N ATOM 0 H ARG A 318 1.797 4.824 -0.874 1.00 0.00 H new ATOM 0 HA ARG A 318 1.361 4.235 2.059 1.00 0.00 H new ATOM 0 HB2 ARG A 318 3.760 4.284 0.259 1.00 0.00 H new ATOM 0 HB3 ARG A 318 3.934 5.337 1.650 1.00 0.00 H new ATOM 0 HG2 ARG A 318 3.518 3.492 3.200 1.00 0.00 H new ATOM 0 HG3 ARG A 318 3.039 2.425 1.894 1.00 0.00 H new ATOM 0 HD2 ARG A 318 5.282 1.758 2.056 1.00 0.00 H new ATOM 0 HD3 ARG A 318 5.517 3.107 0.961 1.00 0.00 H new ATOM 0 HE ARG A 318 6.138 4.554 2.900 1.00 0.00 H new ATOM 0 HH11 ARG A 318 4.581 3.280 5.084 1.00 0.00 H new ATOM 0 HH12 ARG A 318 5.803 2.351 5.958 1.00 0.00 H new ATOM 0 HH21 ARG A 318 8.107 2.437 3.320 1.00 0.00 H new ATOM 0 HH22 ARG A 318 7.790 1.876 4.965 1.00 0.00 H new ATOM 198 N PRO A 319 1.735 6.697 2.639 1.00 0.00 N ATOM 199 CA PRO A 319 1.556 8.141 2.928 1.00 0.00 C ATOM 200 C PRO A 319 2.805 8.919 2.490 1.00 0.00 C ATOM 201 O PRO A 319 2.721 10.031 2.004 1.00 0.00 O ATOM 202 CB PRO A 319 1.390 8.185 4.444 1.00 0.00 C ATOM 203 CG PRO A 319 2.072 6.952 4.949 1.00 0.00 C ATOM 204 CD PRO A 319 2.001 5.918 3.857 1.00 0.00 C ATOM 0 HA PRO A 319 0.712 8.589 2.403 1.00 0.00 H new ATOM 0 HB2 PRO A 319 1.841 9.084 4.864 1.00 0.00 H new ATOM 0 HB3 PRO A 319 0.337 8.196 4.725 1.00 0.00 H new ATOM 0 HG2 PRO A 319 3.109 7.166 5.208 1.00 0.00 H new ATOM 0 HG3 PRO A 319 1.586 6.588 5.854 1.00 0.00 H new ATOM 0 HD2 PRO A 319 2.933 5.359 3.777 1.00 0.00 H new ATOM 0 HD3 PRO A 319 1.210 5.193 4.046 1.00 0.00 H new ATOM 212 N ASP A 320 3.962 8.327 2.660 1.00 0.00 N ATOM 213 CA ASP A 320 5.237 8.997 2.262 1.00 0.00 C ATOM 214 C ASP A 320 5.936 8.188 1.156 1.00 0.00 C ATOM 215 O ASP A 320 7.145 8.039 1.154 1.00 0.00 O ATOM 216 CB ASP A 320 6.088 9.018 3.539 1.00 0.00 C ATOM 217 CG ASP A 320 5.430 9.921 4.588 1.00 0.00 C ATOM 218 OD1 ASP A 320 5.670 11.116 4.548 1.00 0.00 O ATOM 219 OD2 ASP A 320 4.698 9.399 5.414 1.00 0.00 O ATOM 0 H ASP A 320 4.077 7.397 3.063 1.00 0.00 H new ATOM 0 HA ASP A 320 5.075 9.999 1.866 1.00 0.00 H new ATOM 0 HB2 ASP A 320 6.195 8.007 3.932 1.00 0.00 H new ATOM 0 HB3 ASP A 320 7.091 9.380 3.312 1.00 0.00 H new ATOM 224 N TYR A 321 5.178 7.658 0.219 1.00 0.00 N ATOM 225 CA TYR A 321 5.779 6.850 -0.890 1.00 0.00 C ATOM 226 C TYR A 321 6.884 7.640 -1.608 1.00 0.00 C ATOM 227 O TYR A 321 6.822 8.850 -1.732 1.00 0.00 O ATOM 228 CB TYR A 321 4.608 6.556 -1.844 1.00 0.00 C ATOM 229 CG TYR A 321 5.117 5.946 -3.136 1.00 0.00 C ATOM 230 CD1 TYR A 321 5.955 4.824 -3.105 1.00 0.00 C ATOM 231 CD2 TYR A 321 4.745 6.504 -4.367 1.00 0.00 C ATOM 232 CE1 TYR A 321 6.421 4.263 -4.299 1.00 0.00 C ATOM 233 CE2 TYR A 321 5.212 5.943 -5.561 1.00 0.00 C ATOM 234 CZ TYR A 321 6.050 4.822 -5.527 1.00 0.00 C ATOM 235 OH TYR A 321 6.509 4.268 -6.703 1.00 0.00 O ATOM 0 H TYR A 321 4.163 7.753 0.177 1.00 0.00 H new ATOM 0 HA TYR A 321 6.248 5.937 -0.523 1.00 0.00 H new ATOM 0 HB2 TYR A 321 3.904 5.875 -1.366 1.00 0.00 H new ATOM 0 HB3 TYR A 321 4.066 7.477 -2.058 1.00 0.00 H new ATOM 0 HD1 TYR A 321 6.242 4.391 -2.158 1.00 0.00 H new ATOM 0 HD2 TYR A 321 4.097 7.368 -4.394 1.00 0.00 H new ATOM 0 HE1 TYR A 321 7.067 3.398 -4.273 1.00 0.00 H new ATOM 0 HE2 TYR A 321 4.926 6.375 -6.509 1.00 0.00 H new ATOM 0 HH TYR A 321 6.157 4.776 -7.463 1.00 0.00 H new ATOM 245 N ASN A 322 7.888 6.949 -2.082 1.00 0.00 N ATOM 246 CA ASN A 322 9.013 7.623 -2.804 1.00 0.00 C ATOM 247 C ASN A 322 8.499 8.251 -4.111 1.00 0.00 C ATOM 248 O ASN A 322 7.384 7.990 -4.523 1.00 0.00 O ATOM 249 CB ASN A 322 10.017 6.503 -3.104 1.00 0.00 C ATOM 250 CG ASN A 322 10.628 5.990 -1.795 1.00 0.00 C ATOM 251 OD1 ASN A 322 11.325 6.716 -1.112 1.00 0.00 O ATOM 252 ND2 ASN A 322 10.396 4.763 -1.415 1.00 0.00 N ATOM 0 H ASN A 322 7.979 5.936 -2.000 1.00 0.00 H new ATOM 0 HA ASN A 322 9.461 8.426 -2.219 1.00 0.00 H new ATOM 0 HB2 ASN A 322 9.520 5.687 -3.628 1.00 0.00 H new ATOM 0 HB3 ASN A 322 10.803 6.873 -3.762 1.00 0.00 H new ATOM 0 HD21 ASN A 322 10.799 4.413 -0.546 1.00 0.00 H new ATOM 0 HD22 ASN A 322 9.812 4.154 -1.987 1.00 0.00 H new ATOM 259 N PRO A 323 9.330 9.058 -4.730 1.00 0.00 N ATOM 260 CA PRO A 323 8.938 9.721 -6.003 1.00 0.00 C ATOM 261 C PRO A 323 8.824 8.685 -7.132 1.00 0.00 C ATOM 262 O PRO A 323 9.669 7.819 -7.262 1.00 0.00 O ATOM 263 CB PRO A 323 10.079 10.703 -6.262 1.00 0.00 C ATOM 264 CG PRO A 323 11.249 10.135 -5.526 1.00 0.00 C ATOM 265 CD PRO A 323 10.693 9.428 -4.317 1.00 0.00 C ATOM 0 HA PRO A 323 7.968 10.215 -5.952 1.00 0.00 H new ATOM 0 HB2 PRO A 323 10.289 10.793 -7.328 1.00 0.00 H new ATOM 0 HB3 PRO A 323 9.831 11.701 -5.900 1.00 0.00 H new ATOM 0 HG2 PRO A 323 11.806 9.443 -6.158 1.00 0.00 H new ATOM 0 HG3 PRO A 323 11.941 10.924 -5.230 1.00 0.00 H new ATOM 0 HD2 PRO A 323 11.286 8.551 -4.058 1.00 0.00 H new ATOM 0 HD3 PRO A 323 10.684 10.077 -3.441 1.00 0.00 H new ATOM 273 N PRO A 324 7.773 8.803 -7.911 1.00 0.00 N ATOM 274 CA PRO A 324 7.548 7.856 -9.035 1.00 0.00 C ATOM 275 C PRO A 324 8.554 8.105 -10.168 1.00 0.00 C ATOM 276 O PRO A 324 9.460 8.906 -10.039 1.00 0.00 O ATOM 277 CB PRO A 324 6.122 8.166 -9.485 1.00 0.00 C ATOM 278 CG PRO A 324 5.877 9.577 -9.057 1.00 0.00 C ATOM 279 CD PRO A 324 6.709 9.813 -7.822 1.00 0.00 C ATOM 0 HA PRO A 324 7.680 6.813 -8.747 1.00 0.00 H new ATOM 0 HB2 PRO A 324 6.017 8.058 -10.564 1.00 0.00 H new ATOM 0 HB3 PRO A 324 5.406 7.485 -9.025 1.00 0.00 H new ATOM 0 HG2 PRO A 324 6.154 10.274 -9.848 1.00 0.00 H new ATOM 0 HG3 PRO A 324 4.820 9.738 -8.847 1.00 0.00 H new ATOM 0 HD2 PRO A 324 7.118 10.823 -7.804 1.00 0.00 H new ATOM 0 HD3 PRO A 324 6.119 9.692 -6.914 1.00 0.00 H new ATOM 287 N LEU A 325 8.391 7.415 -11.277 1.00 0.00 N ATOM 288 CA LEU A 325 9.324 7.583 -12.442 1.00 0.00 C ATOM 289 C LEU A 325 10.758 7.212 -12.033 1.00 0.00 C ATOM 290 O LEU A 325 11.494 8.032 -11.523 1.00 0.00 O ATOM 291 CB LEU A 325 9.229 9.062 -12.847 1.00 0.00 C ATOM 292 CG LEU A 325 8.371 9.197 -14.108 1.00 0.00 C ATOM 293 CD1 LEU A 325 6.903 9.379 -13.713 1.00 0.00 C ATOM 294 CD2 LEU A 325 8.836 10.413 -14.913 1.00 0.00 C ATOM 0 H LEU A 325 7.644 6.736 -11.425 1.00 0.00 H new ATOM 0 HA LEU A 325 9.057 6.932 -13.274 1.00 0.00 H new ATOM 0 HB2 LEU A 325 8.793 9.644 -12.035 1.00 0.00 H new ATOM 0 HB3 LEU A 325 10.226 9.464 -13.029 1.00 0.00 H new ATOM 0 HG LEU A 325 8.474 8.297 -14.714 1.00 0.00 H new ATOM 0 HD11 LEU A 325 6.294 9.475 -14.612 1.00 0.00 H new ATOM 0 HD12 LEU A 325 6.570 8.514 -13.140 1.00 0.00 H new ATOM 0 HD13 LEU A 325 6.798 10.278 -13.106 1.00 0.00 H new ATOM 0 HD21 LEU A 325 8.226 10.510 -15.811 1.00 0.00 H new ATOM 0 HD22 LEU A 325 8.733 11.312 -14.306 1.00 0.00 H new ATOM 0 HD23 LEU A 325 9.881 10.284 -15.196 1.00 0.00 H new ATOM 306 N LEU A 326 11.139 5.971 -12.256 1.00 0.00 N ATOM 307 CA LEU A 326 12.518 5.478 -11.895 1.00 0.00 C ATOM 308 C LEU A 326 12.968 5.992 -10.510 1.00 0.00 C ATOM 309 O LEU A 326 14.118 6.339 -10.311 1.00 0.00 O ATOM 310 CB LEU A 326 13.447 5.960 -13.032 1.00 0.00 C ATOM 311 CG LEU A 326 13.842 7.434 -12.857 1.00 0.00 C ATOM 312 CD1 LEU A 326 15.365 7.567 -12.935 1.00 0.00 C ATOM 313 CD2 LEU A 326 13.205 8.272 -13.970 1.00 0.00 C ATOM 0 H LEU A 326 10.541 5.263 -12.682 1.00 0.00 H new ATOM 0 HA LEU A 326 12.542 4.392 -11.808 1.00 0.00 H new ATOM 0 HB2 LEU A 326 14.345 5.343 -13.054 1.00 0.00 H new ATOM 0 HB3 LEU A 326 12.946 5.829 -13.991 1.00 0.00 H new ATOM 0 HG LEU A 326 13.492 7.788 -11.887 1.00 0.00 H new ATOM 0 HD11 LEU A 326 15.646 8.613 -12.811 1.00 0.00 H new ATOM 0 HD12 LEU A 326 15.823 6.972 -12.145 1.00 0.00 H new ATOM 0 HD13 LEU A 326 15.712 7.211 -13.905 1.00 0.00 H new ATOM 0 HD21 LEU A 326 13.486 9.318 -13.844 1.00 0.00 H new ATOM 0 HD22 LEU A 326 13.555 7.916 -14.939 1.00 0.00 H new ATOM 0 HD23 LEU A 326 12.120 8.179 -13.920 1.00 0.00 H new ATOM 325 N GLU A 327 12.062 6.020 -9.553 1.00 0.00 N ATOM 326 CA GLU A 327 12.405 6.490 -8.169 1.00 0.00 C ATOM 327 C GLU A 327 13.058 7.885 -8.212 1.00 0.00 C ATOM 328 O GLU A 327 14.196 8.014 -7.784 1.00 0.00 O ATOM 329 CB GLU A 327 13.365 5.429 -7.606 1.00 0.00 C ATOM 330 CG GLU A 327 12.625 4.095 -7.440 1.00 0.00 C ATOM 331 CD GLU A 327 12.509 3.744 -5.954 1.00 0.00 C ATOM 332 OE1 GLU A 327 11.824 4.466 -5.243 1.00 0.00 O ATOM 333 OE2 GLU A 327 13.102 2.757 -5.551 1.00 0.00 O ATOM 334 OXT GLU A 327 12.402 8.806 -8.672 1.00 0.00 O ATOM 0 H GLU A 327 11.091 5.734 -9.676 1.00 0.00 H new ATOM 0 HA GLU A 327 11.521 6.595 -7.540 1.00 0.00 H new ATOM 0 HB2 GLU A 327 14.216 5.303 -8.276 1.00 0.00 H new ATOM 0 HB3 GLU A 327 13.762 5.757 -6.645 1.00 0.00 H new ATOM 0 HG2 GLU A 327 11.632 4.162 -7.885 1.00 0.00 H new ATOM 0 HG3 GLU A 327 13.159 3.305 -7.969 1.00 0.00 H new TER 341 GLU A 327