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 -170:sc=-0.00617 (180deg=-0.243) USER MOD Single : A 321 TYR OH : rot 130:sc= -0.275 USER MOD Single : A 322 ASN : amide:sc=-0.00835 X(o=-0.0083,f=-0.039) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 308 -3.485 -15.885 7.370 1.00 0.00 N ATOM 2 CA LYS A 308 -2.607 -14.750 7.789 1.00 0.00 C ATOM 3 C LYS A 308 -2.795 -13.560 6.839 1.00 0.00 C ATOM 4 O LYS A 308 -2.749 -13.708 5.633 1.00 0.00 O ATOM 5 CB LYS A 308 -1.175 -15.290 7.699 1.00 0.00 C ATOM 6 CG LYS A 308 -0.301 -14.614 8.761 1.00 0.00 C ATOM 7 CD LYS A 308 -0.155 -15.538 9.974 1.00 0.00 C ATOM 8 CE LYS A 308 1.127 -16.368 9.836 1.00 0.00 C ATOM 9 NZ LYS A 308 0.998 -17.458 10.847 1.00 0.00 N ATOM 0 HA LYS A 308 -2.842 -14.398 8.793 1.00 0.00 H new ATOM 0 HB2 LYS A 308 -1.173 -16.370 7.846 1.00 0.00 H new ATOM 0 HB3 LYS A 308 -0.767 -15.103 6.706 1.00 0.00 H new ATOM 0 HG2 LYS A 308 0.681 -14.385 8.346 1.00 0.00 H new ATOM 0 HG3 LYS A 308 -0.748 -13.667 9.065 1.00 0.00 H new ATOM 0 HD2 LYS A 308 -0.122 -14.949 10.891 1.00 0.00 H new ATOM 0 HD3 LYS A 308 -1.020 -16.196 10.049 1.00 0.00 H new ATOM 0 HE2 LYS A 308 1.227 -16.774 8.829 1.00 0.00 H new ATOM 0 HE3 LYS A 308 2.012 -15.760 10.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 308 1.840 -18.067 10.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 308 0.912 -17.042 11.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 308 0.151 -18.025 10.640 1.00 0.00 H new ATOM 22 N PHE A 309 -3.008 -12.385 7.377 1.00 0.00 N ATOM 23 CA PHE A 309 -3.202 -11.183 6.510 1.00 0.00 C ATOM 24 C PHE A 309 -2.493 -9.966 7.123 1.00 0.00 C ATOM 25 O PHE A 309 -2.663 -9.679 8.295 1.00 0.00 O ATOM 26 CB PHE A 309 -4.718 -10.963 6.473 1.00 0.00 C ATOM 27 CG PHE A 309 -5.072 -10.046 5.324 1.00 0.00 C ATOM 28 CD1 PHE A 309 -5.154 -10.552 4.022 1.00 0.00 C ATOM 29 CD2 PHE A 309 -5.318 -8.689 5.564 1.00 0.00 C ATOM 30 CE1 PHE A 309 -5.482 -9.701 2.960 1.00 0.00 C ATOM 31 CE2 PHE A 309 -5.646 -7.839 4.502 1.00 0.00 C ATOM 32 CZ PHE A 309 -5.728 -8.344 3.200 1.00 0.00 C ATOM 0 H PHE A 309 -3.056 -12.206 8.380 1.00 0.00 H new ATOM 0 HA PHE A 309 -2.786 -11.321 5.512 1.00 0.00 H new ATOM 0 HB2 PHE A 309 -5.231 -11.918 6.360 1.00 0.00 H new ATOM 0 HB3 PHE A 309 -5.055 -10.529 7.414 1.00 0.00 H new ATOM 0 HD1 PHE A 309 -4.964 -11.599 3.836 1.00 0.00 H new ATOM 0 HD2 PHE A 309 -5.255 -8.298 6.569 1.00 0.00 H new ATOM 0 HE1 PHE A 309 -5.545 -10.092 1.955 1.00 0.00 H new ATOM 0 HE2 PHE A 309 -5.836 -6.792 4.688 1.00 0.00 H new ATOM 0 HZ PHE A 309 -5.981 -7.687 2.381 1.00 0.00 H new ATOM 42 N PRO A 310 -1.717 -9.288 6.307 1.00 0.00 N ATOM 43 CA PRO A 310 -0.977 -8.089 6.779 1.00 0.00 C ATOM 44 C PRO A 310 -1.930 -6.895 6.940 1.00 0.00 C ATOM 45 O PRO A 310 -3.110 -6.987 6.658 1.00 0.00 O ATOM 46 CB PRO A 310 0.034 -7.832 5.664 1.00 0.00 C ATOM 47 CG PRO A 310 -0.569 -8.442 4.438 1.00 0.00 C ATOM 48 CD PRO A 310 -1.458 -9.572 4.889 1.00 0.00 C ATOM 0 HA PRO A 310 -0.506 -8.232 7.752 1.00 0.00 H new ATOM 0 HB2 PRO A 310 0.207 -6.764 5.528 1.00 0.00 H new ATOM 0 HB3 PRO A 310 0.998 -8.284 5.895 1.00 0.00 H new ATOM 0 HG2 PRO A 310 -1.143 -7.700 3.882 1.00 0.00 H new ATOM 0 HG3 PRO A 310 0.209 -8.809 3.769 1.00 0.00 H new ATOM 0 HD2 PRO A 310 -2.384 -9.603 4.314 1.00 0.00 H new ATOM 0 HD3 PRO A 310 -0.970 -10.538 4.760 1.00 0.00 H new ATOM 56 N ARG A 311 -1.424 -5.774 7.388 1.00 0.00 N ATOM 57 CA ARG A 311 -2.299 -4.573 7.564 1.00 0.00 C ATOM 58 C ARG A 311 -2.141 -3.621 6.368 1.00 0.00 C ATOM 59 O ARG A 311 -2.079 -2.416 6.529 1.00 0.00 O ATOM 60 CB ARG A 311 -1.812 -3.911 8.858 1.00 0.00 C ATOM 61 CG ARG A 311 -2.392 -4.654 10.064 1.00 0.00 C ATOM 62 CD ARG A 311 -2.152 -3.832 11.334 1.00 0.00 C ATOM 63 NE ARG A 311 -2.423 -4.772 12.460 1.00 0.00 N ATOM 64 CZ ARG A 311 -3.380 -4.514 13.310 1.00 0.00 C ATOM 65 NH1 ARG A 311 -3.157 -3.710 14.318 1.00 0.00 N ATOM 66 NH2 ARG A 311 -4.558 -5.059 13.152 1.00 0.00 N ATOM 0 H ARG A 311 -0.445 -5.638 7.639 1.00 0.00 H new ATOM 0 HA ARG A 311 -3.356 -4.834 7.618 1.00 0.00 H new ATOM 0 HB2 ARG A 311 -0.723 -3.926 8.898 1.00 0.00 H new ATOM 0 HB3 ARG A 311 -2.118 -2.865 8.881 1.00 0.00 H new ATOM 0 HG2 ARG A 311 -3.460 -4.821 9.923 1.00 0.00 H new ATOM 0 HG3 ARG A 311 -1.926 -5.635 10.159 1.00 0.00 H new ATOM 0 HD2 ARG A 311 -1.130 -3.454 11.372 1.00 0.00 H new ATOM 0 HD3 ARG A 311 -2.813 -2.966 11.375 1.00 0.00 H new ATOM 0 HE ARG A 311 -1.861 -5.616 12.566 1.00 0.00 H new ATOM 0 HH11 ARG A 311 -2.237 -3.286 14.439 1.00 0.00 H new ATOM 0 HH12 ARG A 311 -3.903 -3.507 14.983 1.00 0.00 H new ATOM 0 HH21 ARG A 311 -4.729 -5.685 12.365 1.00 0.00 H new ATOM 0 HH22 ARG A 311 -5.306 -4.858 13.816 1.00 0.00 H new ATOM 80 N ALA A 312 -2.081 -4.163 5.168 1.00 0.00 N ATOM 81 CA ALA A 312 -1.929 -3.318 3.938 1.00 0.00 C ATOM 82 C ALA A 312 -0.748 -2.343 4.083 1.00 0.00 C ATOM 83 O ALA A 312 -0.930 -1.161 4.313 1.00 0.00 O ATOM 84 CB ALA A 312 -3.252 -2.556 3.803 1.00 0.00 C ATOM 0 H ALA A 312 -2.132 -5.166 4.990 1.00 0.00 H new ATOM 0 HA ALA A 312 -1.719 -3.924 3.056 1.00 0.00 H new ATOM 0 HB1 ALA A 312 -3.215 -1.915 2.922 1.00 0.00 H new ATOM 0 HB2 ALA A 312 -4.072 -3.266 3.700 1.00 0.00 H new ATOM 0 HB3 ALA A 312 -3.411 -1.944 4.691 1.00 0.00 H new ATOM 90 N MET A 313 0.462 -2.831 3.943 1.00 0.00 N ATOM 91 CA MET A 313 1.651 -1.929 4.068 1.00 0.00 C ATOM 92 C MET A 313 2.563 -2.034 2.830 1.00 0.00 C ATOM 93 O MET A 313 3.738 -2.330 2.952 1.00 0.00 O ATOM 94 CB MET A 313 2.384 -2.399 5.336 1.00 0.00 C ATOM 95 CG MET A 313 2.722 -3.892 5.235 1.00 0.00 C ATOM 96 SD MET A 313 4.191 -4.246 6.233 1.00 0.00 S ATOM 97 CE MET A 313 5.381 -4.334 4.872 1.00 0.00 C ATOM 0 H MET A 313 0.677 -3.809 3.749 1.00 0.00 H new ATOM 0 HA MET A 313 1.357 -0.882 4.135 1.00 0.00 H new ATOM 0 HB2 MET A 313 3.298 -1.821 5.471 1.00 0.00 H new ATOM 0 HB3 MET A 313 1.761 -2.219 6.212 1.00 0.00 H new ATOM 0 HG2 MET A 313 1.880 -4.491 5.582 1.00 0.00 H new ATOM 0 HG3 MET A 313 2.901 -4.166 4.195 1.00 0.00 H new ATOM 0 HE1 MET A 313 6.330 -4.720 5.243 1.00 0.00 H new ATOM 0 HE2 MET A 313 4.998 -4.997 4.096 1.00 0.00 H new ATOM 0 HE3 MET A 313 5.532 -3.338 4.456 1.00 0.00 H new ATOM 107 N PRO A 314 1.999 -1.770 1.669 1.00 0.00 N ATOM 108 CA PRO A 314 2.789 -1.825 0.412 1.00 0.00 C ATOM 109 C PRO A 314 3.691 -0.589 0.285 1.00 0.00 C ATOM 110 O PRO A 314 3.764 0.230 1.181 1.00 0.00 O ATOM 111 CB PRO A 314 1.728 -1.839 -0.684 1.00 0.00 C ATOM 112 CG PRO A 314 0.522 -1.192 -0.075 1.00 0.00 C ATOM 113 CD PRO A 314 0.596 -1.403 1.417 1.00 0.00 C ATOM 0 HA PRO A 314 3.452 -2.689 0.365 1.00 0.00 H new ATOM 0 HB2 PRO A 314 2.065 -1.292 -1.565 1.00 0.00 H new ATOM 0 HB3 PRO A 314 1.508 -2.857 -1.006 1.00 0.00 H new ATOM 0 HG2 PRO A 314 0.498 -0.128 -0.311 1.00 0.00 H new ATOM 0 HG3 PRO A 314 -0.392 -1.628 -0.479 1.00 0.00 H new ATOM 0 HD2 PRO A 314 0.319 -0.499 1.960 1.00 0.00 H new ATOM 0 HD3 PRO A 314 -0.084 -2.191 1.741 1.00 0.00 H new ATOM 121 N ILE A 315 4.376 -0.456 -0.823 1.00 0.00 N ATOM 122 CA ILE A 315 5.279 0.727 -1.020 1.00 0.00 C ATOM 123 C ILE A 315 4.617 1.749 -1.948 1.00 0.00 C ATOM 124 O ILE A 315 4.690 2.944 -1.726 1.00 0.00 O ATOM 125 CB ILE A 315 6.561 0.169 -1.656 1.00 0.00 C ATOM 126 CG1 ILE A 315 7.034 -1.077 -0.888 1.00 0.00 C ATOM 127 CG2 ILE A 315 7.659 1.236 -1.614 1.00 0.00 C ATOM 128 CD1 ILE A 315 7.249 -0.734 0.589 1.00 0.00 C ATOM 0 H ILE A 315 4.351 -1.114 -1.602 1.00 0.00 H new ATOM 0 HA ILE A 315 5.490 1.238 -0.081 1.00 0.00 H new ATOM 0 HB ILE A 315 6.352 -0.106 -2.690 1.00 0.00 H new ATOM 0 HG12 ILE A 315 6.295 -1.873 -0.981 1.00 0.00 H new ATOM 0 HG13 ILE A 315 7.962 -1.451 -1.321 1.00 0.00 H new ATOM 0 HG21 ILE A 315 8.569 0.840 -2.065 1.00 0.00 H new ATOM 0 HG22 ILE A 315 7.332 2.116 -2.168 1.00 0.00 H new ATOM 0 HG23 ILE A 315 7.858 1.512 -0.579 1.00 0.00 H new ATOM 0 HD11 ILE A 315 7.584 -1.623 1.124 1.00 0.00 H new ATOM 0 HD12 ILE A 315 8.004 0.047 0.675 1.00 0.00 H new ATOM 0 HD13 ILE A 315 6.312 -0.382 1.021 1.00 0.00 H new ATOM 140 N TRP A 316 3.974 1.282 -2.985 1.00 0.00 N ATOM 141 CA TRP A 316 3.295 2.207 -3.948 1.00 0.00 C ATOM 142 C TRP A 316 2.074 2.880 -3.298 1.00 0.00 C ATOM 143 O TRP A 316 1.683 3.966 -3.681 1.00 0.00 O ATOM 144 CB TRP A 316 2.875 1.329 -5.140 1.00 0.00 C ATOM 145 CG TRP A 316 1.849 0.317 -4.715 1.00 0.00 C ATOM 146 CD1 TRP A 316 2.124 -0.919 -4.235 1.00 0.00 C ATOM 147 CD2 TRP A 316 0.396 0.436 -4.731 1.00 0.00 C ATOM 148 NE1 TRP A 316 0.932 -1.563 -3.951 1.00 0.00 N ATOM 149 CE2 TRP A 316 -0.160 -0.769 -4.240 1.00 0.00 C ATOM 150 CE3 TRP A 316 -0.483 1.462 -5.117 1.00 0.00 C ATOM 151 CZ2 TRP A 316 -1.540 -0.949 -4.136 1.00 0.00 C ATOM 152 CZ3 TRP A 316 -1.873 1.285 -5.014 1.00 0.00 C ATOM 153 CH2 TRP A 316 -2.399 0.081 -4.525 1.00 0.00 C ATOM 0 H TRP A 316 3.888 0.291 -3.211 1.00 0.00 H new ATOM 0 HA TRP A 316 3.956 3.015 -4.261 1.00 0.00 H new ATOM 0 HB2 TRP A 316 2.469 1.955 -5.935 1.00 0.00 H new ATOM 0 HB3 TRP A 316 3.748 0.820 -5.549 1.00 0.00 H new ATOM 0 HD1 TRP A 316 3.111 -1.334 -4.096 1.00 0.00 H new ATOM 0 HE1 TRP A 316 0.868 -2.509 -3.574 1.00 0.00 H new ATOM 0 HE3 TRP A 316 -0.087 2.393 -5.495 1.00 0.00 H new ATOM 0 HZ2 TRP A 316 -1.941 -1.878 -3.758 1.00 0.00 H new ATOM 0 HZ3 TRP A 316 -2.540 2.080 -5.313 1.00 0.00 H new ATOM 0 HH2 TRP A 316 -3.468 -0.050 -4.449 1.00 0.00 H new ATOM 164 N ALA A 317 1.477 2.246 -2.320 1.00 0.00 N ATOM 165 CA ALA A 317 0.287 2.850 -1.643 1.00 0.00 C ATOM 166 C ALA A 317 0.652 3.249 -0.208 1.00 0.00 C ATOM 167 O ALA A 317 0.292 2.584 0.747 1.00 0.00 O ATOM 168 CB ALA A 317 -0.778 1.748 -1.652 1.00 0.00 C ATOM 0 H ALA A 317 1.762 1.335 -1.960 1.00 0.00 H new ATOM 0 HA ALA A 317 -0.067 3.752 -2.142 1.00 0.00 H new ATOM 0 HB1 ALA A 317 -1.685 2.115 -1.171 1.00 0.00 H new ATOM 0 HB2 ALA A 317 -1.001 1.466 -2.681 1.00 0.00 H new ATOM 0 HB3 ALA A 317 -0.406 0.878 -1.110 1.00 0.00 H new ATOM 174 N ARG A 318 1.379 4.326 -0.048 1.00 0.00 N ATOM 175 CA ARG A 318 1.781 4.762 1.322 1.00 0.00 C ATOM 176 C ARG A 318 1.430 6.238 1.554 1.00 0.00 C ATOM 177 O ARG A 318 2.062 7.115 0.994 1.00 0.00 O ATOM 178 CB ARG A 318 3.299 4.563 1.369 1.00 0.00 C ATOM 179 CG ARG A 318 3.623 3.067 1.338 1.00 0.00 C ATOM 180 CD ARG A 318 4.889 2.796 2.159 1.00 0.00 C ATOM 181 NE ARG A 318 4.405 2.224 3.450 1.00 0.00 N ATOM 182 CZ ARG A 318 3.634 2.930 4.235 1.00 0.00 C ATOM 183 NH1 ARG A 318 4.117 3.972 4.860 1.00 0.00 N ATOM 184 NH2 ARG A 318 2.378 2.598 4.386 1.00 0.00 N ATOM 0 H ARG A 318 1.711 4.921 -0.807 1.00 0.00 H new ATOM 0 HA ARG A 318 1.263 4.195 2.095 1.00 0.00 H new ATOM 0 HB2 ARG A 318 3.768 5.064 0.522 1.00 0.00 H new ATOM 0 HB3 ARG A 318 3.707 5.015 2.273 1.00 0.00 H new ATOM 0 HG2 ARG A 318 2.787 2.495 1.741 1.00 0.00 H new ATOM 0 HG3 ARG A 318 3.768 2.738 0.309 1.00 0.00 H new ATOM 0 HD2 ARG A 318 5.551 2.100 1.644 1.00 0.00 H new ATOM 0 HD3 ARG A 318 5.456 3.713 2.323 1.00 0.00 H new ATOM 0 HE ARG A 318 4.677 1.279 3.721 1.00 0.00 H new ATOM 0 HH11 ARG A 318 5.095 4.234 4.735 1.00 0.00 H new ATOM 0 HH12 ARG A 318 3.516 4.523 5.473 1.00 0.00 H new ATOM 0 HH21 ARG A 318 2.001 1.789 3.892 1.00 0.00 H new ATOM 0 HH22 ARG A 318 1.775 3.148 4.998 1.00 0.00 H new ATOM 198 N PRO A 319 0.447 6.470 2.395 1.00 0.00 N ATOM 199 CA PRO A 319 0.039 7.863 2.721 1.00 0.00 C ATOM 200 C PRO A 319 1.102 8.515 3.615 1.00 0.00 C ATOM 201 O PRO A 319 1.415 9.682 3.479 1.00 0.00 O ATOM 202 CB PRO A 319 -1.282 7.688 3.467 1.00 0.00 C ATOM 203 CG PRO A 319 -1.230 6.305 4.035 1.00 0.00 C ATOM 204 CD PRO A 319 -0.368 5.477 3.112 1.00 0.00 C ATOM 0 HA PRO A 319 -0.066 8.505 1.847 1.00 0.00 H new ATOM 0 HB2 PRO A 319 -1.391 8.434 4.255 1.00 0.00 H new ATOM 0 HB3 PRO A 319 -2.132 7.806 2.796 1.00 0.00 H new ATOM 0 HG2 PRO A 319 -0.814 6.318 5.042 1.00 0.00 H new ATOM 0 HG3 PRO A 319 -2.232 5.881 4.110 1.00 0.00 H new ATOM 0 HD2 PRO A 319 0.255 4.777 3.669 1.00 0.00 H new ATOM 0 HD3 PRO A 319 -0.973 4.887 2.424 1.00 0.00 H new ATOM 212 N ASP A 320 1.663 7.748 4.513 1.00 0.00 N ATOM 213 CA ASP A 320 2.723 8.271 5.425 1.00 0.00 C ATOM 214 C ASP A 320 4.083 7.676 5.024 1.00 0.00 C ATOM 215 O ASP A 320 4.866 7.274 5.865 1.00 0.00 O ATOM 216 CB ASP A 320 2.312 7.797 6.823 1.00 0.00 C ATOM 217 CG ASP A 320 1.174 8.673 7.352 1.00 0.00 C ATOM 218 OD1 ASP A 320 0.029 8.368 7.053 1.00 0.00 O ATOM 219 OD2 ASP A 320 1.464 9.633 8.043 1.00 0.00 O ATOM 0 H ASP A 320 1.427 6.766 4.655 1.00 0.00 H new ATOM 0 HA ASP A 320 2.820 9.356 5.383 1.00 0.00 H new ATOM 0 HB2 ASP A 320 1.994 6.755 6.785 1.00 0.00 H new ATOM 0 HB3 ASP A 320 3.165 7.846 7.499 1.00 0.00 H new ATOM 224 N TYR A 321 4.351 7.600 3.736 1.00 0.00 N ATOM 225 CA TYR A 321 5.642 7.017 3.243 1.00 0.00 C ATOM 226 C TYR A 321 6.828 7.470 4.106 1.00 0.00 C ATOM 227 O TYR A 321 7.105 8.648 4.238 1.00 0.00 O ATOM 228 CB TYR A 321 5.794 7.535 1.809 1.00 0.00 C ATOM 229 CG TYR A 321 7.050 6.963 1.195 1.00 0.00 C ATOM 230 CD1 TYR A 321 7.157 5.584 0.975 1.00 0.00 C ATOM 231 CD2 TYR A 321 8.109 7.811 0.849 1.00 0.00 C ATOM 232 CE1 TYR A 321 8.321 5.054 0.410 1.00 0.00 C ATOM 233 CE2 TYR A 321 9.274 7.281 0.284 1.00 0.00 C ATOM 234 CZ TYR A 321 9.380 5.902 0.064 1.00 0.00 C ATOM 235 OH TYR A 321 10.527 5.378 -0.493 1.00 0.00 O ATOM 0 H TYR A 321 3.722 7.921 3.000 1.00 0.00 H new ATOM 0 HA TYR A 321 5.630 5.928 3.291 1.00 0.00 H new ATOM 0 HB2 TYR A 321 4.925 7.252 1.215 1.00 0.00 H new ATOM 0 HB3 TYR A 321 5.840 8.624 1.808 1.00 0.00 H new ATOM 0 HD1 TYR A 321 6.340 4.930 1.242 1.00 0.00 H new ATOM 0 HD2 TYR A 321 8.027 8.874 1.018 1.00 0.00 H new ATOM 0 HE1 TYR A 321 8.403 3.991 0.240 1.00 0.00 H new ATOM 0 HE2 TYR A 321 10.091 7.935 0.018 1.00 0.00 H new ATOM 0 HH TYR A 321 10.756 5.880 -1.303 1.00 0.00 H new ATOM 245 N ASN A 322 7.523 6.529 4.689 1.00 0.00 N ATOM 246 CA ASN A 322 8.697 6.869 5.550 1.00 0.00 C ATOM 247 C ASN A 322 9.894 7.287 4.678 1.00 0.00 C ATOM 248 O ASN A 322 9.930 6.991 3.497 1.00 0.00 O ATOM 249 CB ASN A 322 9.002 5.581 6.335 1.00 0.00 C ATOM 250 CG ASN A 322 9.875 4.634 5.497 1.00 0.00 C ATOM 251 OD1 ASN A 322 11.081 4.629 5.633 1.00 0.00 O ATOM 252 ND2 ASN A 322 9.315 3.822 4.640 1.00 0.00 N ATOM 0 H ASN A 322 7.327 5.531 4.606 1.00 0.00 H new ATOM 0 HA ASN A 322 8.495 7.706 6.218 1.00 0.00 H new ATOM 0 HB2 ASN A 322 9.513 5.828 7.266 1.00 0.00 H new ATOM 0 HB3 ASN A 322 8.071 5.083 6.605 1.00 0.00 H new ATOM 0 HD21 ASN A 322 9.891 3.187 4.088 1.00 0.00 H new ATOM 0 HD22 ASN A 322 8.302 3.823 4.523 1.00 0.00 H new ATOM 259 N PRO A 323 10.839 7.960 5.293 1.00 0.00 N ATOM 260 CA PRO A 323 12.049 8.416 4.560 1.00 0.00 C ATOM 261 C PRO A 323 12.965 7.221 4.247 1.00 0.00 C ATOM 262 O PRO A 323 13.477 6.584 5.149 1.00 0.00 O ATOM 263 CB PRO A 323 12.718 9.380 5.539 1.00 0.00 C ATOM 264 CG PRO A 323 12.240 8.953 6.891 1.00 0.00 C ATOM 265 CD PRO A 323 10.869 8.356 6.707 1.00 0.00 C ATOM 0 HA PRO A 323 11.823 8.883 3.601 1.00 0.00 H new ATOM 0 HB2 PRO A 323 13.804 9.323 5.468 1.00 0.00 H new ATOM 0 HB3 PRO A 323 12.438 10.412 5.329 1.00 0.00 H new ATOM 0 HG2 PRO A 323 12.922 8.224 7.328 1.00 0.00 H new ATOM 0 HG3 PRO A 323 12.202 9.803 7.572 1.00 0.00 H new ATOM 0 HD2 PRO A 323 10.715 7.500 7.364 1.00 0.00 H new ATOM 0 HD3 PRO A 323 10.085 9.078 6.936 1.00 0.00 H new ATOM 273 N PRO A 324 13.137 6.953 2.971 1.00 0.00 N ATOM 274 CA PRO A 324 13.997 5.818 2.540 1.00 0.00 C ATOM 275 C PRO A 324 15.484 6.162 2.706 1.00 0.00 C ATOM 276 O PRO A 324 15.838 7.174 3.284 1.00 0.00 O ATOM 277 CB PRO A 324 13.642 5.643 1.065 1.00 0.00 C ATOM 278 CG PRO A 324 13.135 6.978 0.619 1.00 0.00 C ATOM 279 CD PRO A 324 12.556 7.669 1.826 1.00 0.00 C ATOM 0 HA PRO A 324 13.833 4.915 3.128 1.00 0.00 H new ATOM 0 HB2 PRO A 324 14.513 5.339 0.484 1.00 0.00 H new ATOM 0 HB3 PRO A 324 12.885 4.870 0.932 1.00 0.00 H new ATOM 0 HG2 PRO A 324 13.942 7.570 0.189 1.00 0.00 H new ATOM 0 HG3 PRO A 324 12.377 6.861 -0.156 1.00 0.00 H new ATOM 0 HD2 PRO A 324 12.820 8.726 1.843 1.00 0.00 H new ATOM 0 HD3 PRO A 324 11.468 7.612 1.832 1.00 0.00 H new ATOM 287 N LEU A 325 16.354 5.322 2.201 1.00 0.00 N ATOM 288 CA LEU A 325 17.822 5.588 2.322 1.00 0.00 C ATOM 289 C LEU A 325 18.222 6.761 1.418 1.00 0.00 C ATOM 290 O LEU A 325 17.661 6.954 0.354 1.00 0.00 O ATOM 291 CB LEU A 325 18.509 4.299 1.860 1.00 0.00 C ATOM 292 CG LEU A 325 18.506 3.275 3.000 1.00 0.00 C ATOM 293 CD1 LEU A 325 17.493 2.170 2.695 1.00 0.00 C ATOM 294 CD2 LEU A 325 19.901 2.659 3.134 1.00 0.00 C ATOM 0 H LEU A 325 16.111 4.462 1.709 1.00 0.00 H new ATOM 0 HA LEU A 325 18.106 5.855 3.340 1.00 0.00 H new ATOM 0 HB2 LEU A 325 17.992 3.892 0.991 1.00 0.00 H new ATOM 0 HB3 LEU A 325 19.533 4.511 1.552 1.00 0.00 H new ATOM 0 HG LEU A 325 18.233 3.772 3.931 1.00 0.00 H new ATOM 0 HD11 LEU A 325 17.492 1.443 3.507 1.00 0.00 H new ATOM 0 HD12 LEU A 325 16.498 2.605 2.597 1.00 0.00 H new ATOM 0 HD13 LEU A 325 17.765 1.674 1.764 1.00 0.00 H new ATOM 0 HD21 LEU A 325 19.901 1.930 3.945 1.00 0.00 H new ATOM 0 HD22 LEU A 325 20.171 2.164 2.201 1.00 0.00 H new ATOM 0 HD23 LEU A 325 20.626 3.443 3.352 1.00 0.00 H new ATOM 306 N LEU A 326 19.183 7.546 1.836 1.00 0.00 N ATOM 307 CA LEU A 326 19.620 8.711 1.005 1.00 0.00 C ATOM 308 C LEU A 326 21.101 8.571 0.636 1.00 0.00 C ATOM 309 O LEU A 326 21.965 8.574 1.493 1.00 0.00 O ATOM 310 CB LEU A 326 19.399 9.940 1.892 1.00 0.00 C ATOM 311 CG LEU A 326 17.896 10.182 2.072 1.00 0.00 C ATOM 312 CD1 LEU A 326 17.488 9.837 3.506 1.00 0.00 C ATOM 313 CD2 LEU A 326 17.580 11.654 1.793 1.00 0.00 C ATOM 0 H LEU A 326 19.684 7.431 2.717 1.00 0.00 H new ATOM 0 HA LEU A 326 19.065 8.782 0.069 1.00 0.00 H new ATOM 0 HB2 LEU A 326 19.872 9.790 2.862 1.00 0.00 H new ATOM 0 HB3 LEU A 326 19.867 10.815 1.441 1.00 0.00 H new ATOM 0 HG LEU A 326 17.342 9.551 1.376 1.00 0.00 H new ATOM 0 HD11 LEU A 326 16.419 10.010 3.632 1.00 0.00 H new ATOM 0 HD12 LEU A 326 17.712 8.789 3.706 1.00 0.00 H new ATOM 0 HD13 LEU A 326 18.042 10.466 4.203 1.00 0.00 H new ATOM 0 HD21 LEU A 326 16.511 11.827 1.921 1.00 0.00 H new ATOM 0 HD22 LEU A 326 18.135 12.283 2.488 1.00 0.00 H new ATOM 0 HD23 LEU A 326 17.868 11.901 0.771 1.00 0.00 H new ATOM 325 N GLU A 327 21.395 8.453 -0.636 1.00 0.00 N ATOM 326 CA GLU A 327 22.820 8.314 -1.074 1.00 0.00 C ATOM 327 C GLU A 327 23.372 9.670 -1.541 1.00 0.00 C ATOM 328 O GLU A 327 22.677 10.356 -2.277 1.00 0.00 O ATOM 329 CB GLU A 327 22.785 7.315 -2.236 1.00 0.00 C ATOM 330 CG GLU A 327 22.720 5.886 -1.686 1.00 0.00 C ATOM 331 CD GLU A 327 23.141 4.893 -2.774 1.00 0.00 C ATOM 332 OE1 GLU A 327 24.317 4.866 -3.102 1.00 0.00 O ATOM 333 OE2 GLU A 327 22.282 4.175 -3.257 1.00 0.00 O ATOM 334 OXT GLU A 327 24.481 9.997 -1.153 1.00 0.00 O ATOM 0 H GLU A 327 20.709 8.447 -1.391 1.00 0.00 H new ATOM 0 HA GLU A 327 23.467 7.974 -0.265 1.00 0.00 H new ATOM 0 HB2 GLU A 327 21.921 7.511 -2.871 1.00 0.00 H new ATOM 0 HB3 GLU A 327 23.671 7.435 -2.859 1.00 0.00 H new ATOM 0 HG2 GLU A 327 23.374 5.790 -0.820 1.00 0.00 H new ATOM 0 HG3 GLU A 327 21.708 5.662 -1.348 1.00 0.00 H new TER 341 GLU A 327