USER MOD reduce.3.24.130724 H: found=0, std=0, add=153, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 156 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 317 TYR OH : rot 180:sc= 0 USER MOD Single : A 318 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 304 -7.563 18.631 11.685 1.00 0.00 N ATOM 2 CA GLY A 304 -6.371 19.400 11.228 1.00 0.00 C ATOM 3 C GLY A 304 -5.977 19.065 9.804 1.00 0.00 C ATOM 4 O GLY A 304 -6.368 19.767 8.867 1.00 0.00 O ATOM 0 HA2 GLY A 304 -6.580 20.467 11.302 1.00 0.00 H new ATOM 0 HA3 GLY A 304 -5.532 19.193 11.892 1.00 0.00 H new ATOM 10 N PHE A 305 -5.200 17.989 9.648 1.00 0.00 N ATOM 11 CA PHE A 305 -4.738 17.542 8.331 1.00 0.00 C ATOM 12 C PHE A 305 -5.607 16.384 7.808 1.00 0.00 C ATOM 13 O PHE A 305 -6.253 15.702 8.610 1.00 0.00 O ATOM 14 CB PHE A 305 -3.269 17.105 8.404 1.00 0.00 C ATOM 15 CG PHE A 305 -2.305 18.237 8.629 1.00 0.00 C ATOM 16 CD1 PHE A 305 -1.954 18.620 9.914 1.00 0.00 C ATOM 17 CD2 PHE A 305 -1.754 18.919 7.555 1.00 0.00 C ATOM 18 CE1 PHE A 305 -1.068 19.662 10.123 1.00 0.00 C ATOM 19 CE2 PHE A 305 -0.869 19.961 7.760 1.00 0.00 C ATOM 20 CZ PHE A 305 -0.526 20.332 9.045 1.00 0.00 C ATOM 0 H PHE A 305 -4.876 17.409 10.422 1.00 0.00 H new ATOM 0 HA PHE A 305 -4.827 18.379 7.638 1.00 0.00 H new ATOM 0 HB2 PHE A 305 -3.156 16.379 9.210 1.00 0.00 H new ATOM 0 HB3 PHE A 305 -3.006 16.596 7.477 1.00 0.00 H new ATOM 0 HD1 PHE A 305 -2.376 18.100 10.761 1.00 0.00 H new ATOM 0 HD2 PHE A 305 -2.019 18.633 6.548 1.00 0.00 H new ATOM 0 HE1 PHE A 305 -0.801 19.951 11.129 1.00 0.00 H new ATOM 0 HE2 PHE A 305 -0.446 20.485 6.915 1.00 0.00 H new ATOM 0 HZ PHE A 305 0.166 21.146 9.206 1.00 0.00 H new ATOM 30 N PRO A 306 -5.648 16.129 6.457 1.00 0.00 N ATOM 31 CA PRO A 306 -6.456 15.035 5.878 1.00 0.00 C ATOM 32 C PRO A 306 -5.843 13.656 6.121 1.00 0.00 C ATOM 33 O PRO A 306 -4.625 13.528 6.273 1.00 0.00 O ATOM 34 CB PRO A 306 -6.475 15.339 4.368 1.00 0.00 C ATOM 35 CG PRO A 306 -5.854 16.689 4.210 1.00 0.00 C ATOM 36 CD PRO A 306 -4.942 16.868 5.386 1.00 0.00 C ATOM 0 HA PRO A 306 -7.446 14.998 6.333 1.00 0.00 H new ATOM 0 HB2 PRO A 306 -5.917 14.586 3.812 1.00 0.00 H new ATOM 0 HB3 PRO A 306 -7.494 15.331 3.981 1.00 0.00 H new ATOM 0 HG2 PRO A 306 -5.300 16.756 3.274 1.00 0.00 H new ATOM 0 HG3 PRO A 306 -6.616 17.468 4.186 1.00 0.00 H new ATOM 0 HD2 PRO A 306 -3.950 16.458 5.196 1.00 0.00 H new ATOM 0 HD3 PRO A 306 -4.809 17.920 5.639 1.00 0.00 H new ATOM 44 N ARG A 307 -6.703 12.634 6.155 1.00 0.00 N ATOM 45 CA ARG A 307 -6.269 11.253 6.377 1.00 0.00 C ATOM 46 C ARG A 307 -6.524 10.400 5.138 1.00 0.00 C ATOM 47 O ARG A 307 -7.649 10.349 4.630 1.00 0.00 O ATOM 48 CB ARG A 307 -6.990 10.649 7.588 1.00 0.00 C ATOM 49 CG ARG A 307 -6.516 11.200 8.926 1.00 0.00 C ATOM 50 CD ARG A 307 -7.275 10.575 10.086 1.00 0.00 C ATOM 51 NE ARG A 307 -6.838 11.108 11.380 1.00 0.00 N ATOM 52 CZ ARG A 307 -7.417 10.830 12.558 1.00 0.00 C ATOM 53 NH1 ARG A 307 -8.469 10.015 12.633 1.00 0.00 N1+ ATOM 54 NH2 ARG A 307 -6.938 11.375 13.668 1.00 0.00 N ATOM 0 H ARG A 307 -7.710 12.739 6.031 1.00 0.00 H new ATOM 0 HA ARG A 307 -5.197 11.264 6.577 1.00 0.00 H new ATOM 0 HB2 ARG A 307 -8.060 10.831 7.490 1.00 0.00 H new ATOM 0 HB3 ARG A 307 -6.849 9.568 7.581 1.00 0.00 H new ATOM 0 HG2 ARG A 307 -5.449 11.008 9.042 1.00 0.00 H new ATOM 0 HG3 ARG A 307 -6.649 12.282 8.943 1.00 0.00 H new ATOM 0 HD2 ARG A 307 -8.342 10.757 9.961 1.00 0.00 H new ATOM 0 HD3 ARG A 307 -7.132 9.494 10.072 1.00 0.00 H new ATOM 0 HE ARG A 307 -6.035 11.736 11.385 1.00 0.00 H new ATOM 0 HH11 ARG A 307 -8.847 9.591 11.786 1.00 0.00 H new ATOM 0 HH12 ARG A 307 -8.896 9.815 13.538 1.00 0.00 H new ATOM 0 HH21 ARG A 307 -6.134 12.001 13.623 1.00 0.00 H new ATOM 0 HH22 ARG A 307 -7.373 11.168 14.567 1.00 0.00 H new ATOM 68 N ALA A 308 -5.465 9.736 4.659 1.00 0.00 N ATOM 69 CA ALA A 308 -5.551 8.877 3.478 1.00 0.00 C ATOM 70 C ALA A 308 -4.943 7.505 3.749 1.00 0.00 C ATOM 71 O ALA A 308 -3.915 7.398 4.423 1.00 0.00 O ATOM 72 CB ALA A 308 -4.857 9.536 2.293 1.00 0.00 C ATOM 0 H ALA A 308 -4.535 9.780 5.076 1.00 0.00 H new ATOM 0 HA ALA A 308 -6.605 8.738 3.239 1.00 0.00 H new ATOM 0 HB1 ALA A 308 -4.929 8.885 1.421 1.00 0.00 H new ATOM 0 HB2 ALA A 308 -5.337 10.490 2.075 1.00 0.00 H new ATOM 0 HB3 ALA A 308 -3.807 9.705 2.534 1.00 0.00 H new ATOM 78 N LEU A 309 -5.591 6.464 3.217 1.00 0.00 N ATOM 79 CA LEU A 309 -5.130 5.086 3.387 1.00 0.00 C ATOM 80 C LEU A 309 -4.431 4.584 2.109 1.00 0.00 C ATOM 81 O LEU A 309 -5.092 4.418 1.077 1.00 0.00 O ATOM 82 CB LEU A 309 -6.310 4.166 3.744 1.00 0.00 C ATOM 83 CG LEU A 309 -6.940 4.400 5.124 1.00 0.00 C ATOM 84 CD1 LEU A 309 -8.021 5.471 5.056 1.00 0.00 C ATOM 85 CD2 LEU A 309 -7.508 3.101 5.674 1.00 0.00 C ATOM 0 H LEU A 309 -6.442 6.553 2.662 1.00 0.00 H new ATOM 0 HA LEU A 309 -4.410 5.065 4.205 1.00 0.00 H new ATOM 0 HB2 LEU A 309 -7.084 4.287 2.986 1.00 0.00 H new ATOM 0 HB3 LEU A 309 -5.970 3.132 3.690 1.00 0.00 H new ATOM 0 HG LEU A 309 -6.160 4.752 5.799 1.00 0.00 H new ATOM 0 HD11 LEU A 309 -8.451 5.617 6.047 1.00 0.00 H new ATOM 0 HD12 LEU A 309 -7.584 6.407 4.708 1.00 0.00 H new ATOM 0 HD13 LEU A 309 -8.802 5.156 4.364 1.00 0.00 H new ATOM 0 HD21 LEU A 309 -7.951 3.283 6.653 1.00 0.00 H new ATOM 0 HD22 LEU A 309 -8.272 2.721 4.995 1.00 0.00 H new ATOM 0 HD23 LEU A 309 -6.709 2.366 5.769 1.00 0.00 H new ATOM 97 N PRO A 310 -3.077 4.345 2.137 1.00 0.00 N ATOM 98 CA PRO A 310 -2.336 3.853 0.957 1.00 0.00 C ATOM 99 C PRO A 310 -2.690 2.402 0.587 1.00 0.00 C ATOM 100 O PRO A 310 -3.275 1.668 1.389 1.00 0.00 O ATOM 101 CB PRO A 310 -0.854 3.999 1.341 1.00 0.00 C ATOM 102 CG PRO A 310 -0.828 4.758 2.627 1.00 0.00 C ATOM 103 CD PRO A 310 -2.164 4.553 3.283 1.00 0.00 C ATOM 0 HA PRO A 310 -2.593 4.423 0.064 1.00 0.00 H new ATOM 0 HB2 PRO A 310 -0.384 3.022 1.456 1.00 0.00 H new ATOM 0 HB3 PRO A 310 -0.302 4.529 0.565 1.00 0.00 H new ATOM 0 HG2 PRO A 310 -0.024 4.401 3.270 1.00 0.00 H new ATOM 0 HG3 PRO A 310 -0.645 5.817 2.446 1.00 0.00 H new ATOM 0 HD2 PRO A 310 -2.156 3.693 3.952 1.00 0.00 H new ATOM 0 HD3 PRO A 310 -2.457 5.418 3.879 1.00 0.00 H new ATOM 111 N ALA A 311 -2.316 2.017 -0.643 1.00 0.00 N ATOM 112 CA ALA A 311 -2.637 0.691 -1.205 1.00 0.00 C ATOM 113 C ALA A 311 -1.516 -0.259 -0.898 1.00 0.00 C ATOM 114 O ALA A 311 -1.677 -1.475 -0.763 1.00 0.00 O ATOM 115 CB ALA A 311 -2.883 0.781 -2.705 1.00 0.00 C ATOM 0 H ALA A 311 -1.784 2.613 -1.277 1.00 0.00 H new ATOM 0 HA ALA A 311 -3.554 0.320 -0.748 1.00 0.00 H new ATOM 0 HB1 ALA A 311 -3.118 -0.209 -3.095 1.00 0.00 H new ATOM 0 HB2 ALA A 311 -3.719 1.454 -2.897 1.00 0.00 H new ATOM 0 HB3 ALA A 311 -1.989 1.163 -3.198 1.00 0.00 H new ATOM 121 N TRP A 312 -0.379 0.385 -0.795 1.00 0.00 N ATOM 122 CA TRP A 312 0.905 -0.206 -0.504 1.00 0.00 C ATOM 123 C TRP A 312 1.014 -0.466 0.992 1.00 0.00 C ATOM 124 O TRP A 312 1.914 -1.149 1.488 1.00 0.00 O ATOM 125 CB TRP A 312 1.949 0.797 -1.035 1.00 0.00 C ATOM 126 CG TRP A 312 2.109 2.097 -0.258 1.00 0.00 C ATOM 127 CD1 TRP A 312 1.774 3.338 -0.722 1.00 0.00 C ATOM 128 CD2 TRP A 312 2.632 2.303 1.073 1.00 0.00 C ATOM 129 NE1 TRP A 312 2.039 4.292 0.228 1.00 0.00 N ATOM 130 CE2 TRP A 312 2.559 3.685 1.337 1.00 0.00 C ATOM 131 CE3 TRP A 312 3.144 1.462 2.069 1.00 0.00 C ATOM 132 CZ2 TRP A 312 2.972 4.237 2.545 1.00 0.00 C ATOM 133 CZ3 TRP A 312 3.551 2.013 3.267 1.00 0.00 C ATOM 134 CH2 TRP A 312 3.461 3.387 3.496 1.00 0.00 C ATOM 0 H TRP A 312 -0.322 1.396 -0.919 1.00 0.00 H new ATOM 0 HA TRP A 312 1.059 -1.175 -0.980 1.00 0.00 H new ATOM 0 HB2 TRP A 312 2.917 0.297 -1.063 1.00 0.00 H new ATOM 0 HB3 TRP A 312 1.689 1.046 -2.064 1.00 0.00 H new ATOM 0 HD1 TRP A 312 1.359 3.539 -1.699 1.00 0.00 H new ATOM 0 HE1 TRP A 312 1.874 5.293 0.123 1.00 0.00 H new ATOM 0 HE3 TRP A 312 3.219 0.398 1.902 1.00 0.00 H new ATOM 0 HZ2 TRP A 312 2.908 5.300 2.725 1.00 0.00 H new ATOM 0 HZ3 TRP A 312 3.946 1.370 4.040 1.00 0.00 H new ATOM 0 HH2 TRP A 312 3.785 3.787 4.446 1.00 0.00 H new ATOM 145 N ALA A 313 0.025 0.099 1.660 1.00 0.00 N ATOM 146 CA ALA A 313 -0.150 0.070 3.094 1.00 0.00 C ATOM 147 C ALA A 313 -0.891 -1.197 3.564 1.00 0.00 C ATOM 148 O ALA A 313 -1.464 -1.233 4.660 1.00 0.00 O ATOM 149 CB ALA A 313 -0.923 1.333 3.433 1.00 0.00 C ATOM 0 H ALA A 313 -0.716 0.617 1.188 1.00 0.00 H new ATOM 0 HA ALA A 313 0.811 0.037 3.608 1.00 0.00 H new ATOM 0 HB1 ALA A 313 -1.093 1.378 4.509 1.00 0.00 H new ATOM 0 HB2 ALA A 313 -0.350 2.206 3.119 1.00 0.00 H new ATOM 0 HB3 ALA A 313 -1.882 1.323 2.915 1.00 0.00 H new ATOM 155 N ARG A 314 -0.847 -2.241 2.726 1.00 0.00 N ATOM 156 CA ARG A 314 -1.497 -3.513 3.008 1.00 0.00 C ATOM 157 C ARG A 314 -0.501 -4.673 2.811 1.00 0.00 C ATOM 158 O ARG A 314 -0.160 -5.000 1.670 1.00 0.00 O ATOM 159 CB ARG A 314 -2.728 -3.703 2.110 1.00 0.00 C ATOM 160 CG ARG A 314 -3.914 -2.832 2.497 1.00 0.00 C ATOM 161 CD ARG A 314 -5.107 -3.076 1.585 1.00 0.00 C ATOM 162 NE ARG A 314 -6.258 -2.243 1.949 1.00 0.00 N ATOM 163 CZ ARG A 314 -7.439 -2.250 1.314 1.00 0.00 C ATOM 164 NH1 ARG A 314 -7.653 -3.045 0.266 1.00 0.00 N1+ ATOM 165 NH2 ARG A 314 -8.412 -1.451 1.731 1.00 0.00 N ATOM 0 H ARG A 314 -0.356 -2.220 1.832 1.00 0.00 H new ATOM 0 HA ARG A 314 -1.830 -3.510 4.046 1.00 0.00 H new ATOM 0 HB2 ARG A 314 -2.450 -3.484 1.079 1.00 0.00 H new ATOM 0 HB3 ARG A 314 -3.032 -4.749 2.143 1.00 0.00 H new ATOM 0 HG2 ARG A 314 -4.196 -3.038 3.530 1.00 0.00 H new ATOM 0 HG3 ARG A 314 -3.626 -1.782 2.448 1.00 0.00 H new ATOM 0 HD2 ARG A 314 -4.822 -2.870 0.553 1.00 0.00 H new ATOM 0 HD3 ARG A 314 -5.391 -4.127 1.633 1.00 0.00 H new ATOM 0 HE ARG A 314 -6.152 -1.612 2.743 1.00 0.00 H new ATOM 0 HH11 ARG A 314 -6.912 -3.662 -0.066 1.00 0.00 H new ATOM 0 HH12 ARG A 314 -8.558 -3.036 -0.204 1.00 0.00 H new ATOM 0 HH21 ARG A 314 -8.260 -0.836 2.530 1.00 0.00 H new ATOM 0 HH22 ARG A 314 -9.313 -1.451 1.252 1.00 0.00 H new ATOM 179 N PRO A 315 0.009 -5.301 3.920 1.00 0.00 N ATOM 180 CA PRO A 315 0.973 -6.435 3.859 1.00 0.00 C ATOM 181 C PRO A 315 0.575 -7.567 2.913 1.00 0.00 C ATOM 182 O PRO A 315 1.423 -8.308 2.409 1.00 0.00 O ATOM 183 CB PRO A 315 1.019 -6.965 5.301 1.00 0.00 C ATOM 184 CG PRO A 315 -0.043 -6.226 6.051 1.00 0.00 C ATOM 185 CD PRO A 315 -0.262 -4.937 5.322 1.00 0.00 C ATOM 0 HA PRO A 315 1.927 -6.082 3.468 1.00 0.00 H new ATOM 0 HB2 PRO A 315 0.838 -8.040 5.327 1.00 0.00 H new ATOM 0 HB3 PRO A 315 1.999 -6.796 5.747 1.00 0.00 H new ATOM 0 HG2 PRO A 315 -0.964 -6.808 6.094 1.00 0.00 H new ATOM 0 HG3 PRO A 315 0.266 -6.042 7.080 1.00 0.00 H new ATOM 0 HD2 PRO A 315 -1.278 -4.566 5.454 1.00 0.00 H new ATOM 0 HD3 PRO A 315 0.411 -4.155 5.674 1.00 0.00 H new ATOM 193 N ASP A 316 -0.719 -7.671 2.694 1.00 0.00 N ATOM 194 CA ASP A 316 -1.311 -8.685 1.813 1.00 0.00 C ATOM 195 C ASP A 316 -1.400 -8.174 0.357 1.00 0.00 C ATOM 196 O ASP A 316 -2.305 -8.552 -0.399 1.00 0.00 O ATOM 197 CB ASP A 316 -2.700 -9.077 2.348 1.00 0.00 C ATOM 198 CG ASP A 316 -3.133 -10.463 1.903 1.00 0.00 C ATOM 199 OD1 ASP A 316 -3.774 -10.572 0.837 1.00 0.00 O ATOM 200 OD2 ASP A 316 -2.830 -11.439 2.622 1.00 0.00 O1- ATOM 0 H ASP A 316 -1.407 -7.052 3.123 1.00 0.00 H new ATOM 0 HA ASP A 316 -0.671 -9.567 1.806 1.00 0.00 H new ATOM 0 HB2 ASP A 316 -2.689 -9.037 3.437 1.00 0.00 H new ATOM 0 HB3 ASP A 316 -3.434 -8.346 2.010 1.00 0.00 H new ATOM 205 N TYR A 317 -0.430 -7.330 -0.030 1.00 0.00 N ATOM 206 CA TYR A 317 -0.373 -6.753 -1.374 1.00 0.00 C ATOM 207 C TYR A 317 0.462 -7.636 -2.309 1.00 0.00 C ATOM 208 O TYR A 317 1.675 -7.785 -2.130 1.00 0.00 O ATOM 209 CB TYR A 317 0.212 -5.329 -1.306 1.00 0.00 C ATOM 210 CG TYR A 317 -0.096 -4.459 -2.511 1.00 0.00 C ATOM 211 CD1 TYR A 317 0.842 -4.286 -3.521 1.00 0.00 C ATOM 212 CD2 TYR A 317 -1.319 -3.805 -2.631 1.00 0.00 C ATOM 213 CE1 TYR A 317 0.572 -3.488 -4.616 1.00 0.00 C ATOM 214 CE2 TYR A 317 -1.595 -3.008 -3.725 1.00 0.00 C ATOM 215 CZ TYR A 317 -0.648 -2.852 -4.715 1.00 0.00 C ATOM 216 OH TYR A 317 -0.920 -2.058 -5.804 1.00 0.00 O ATOM 0 H TYR A 317 0.331 -7.032 0.580 1.00 0.00 H new ATOM 0 HA TYR A 317 -1.384 -6.700 -1.777 1.00 0.00 H new ATOM 0 HB2 TYR A 317 -0.170 -4.836 -0.412 1.00 0.00 H new ATOM 0 HB3 TYR A 317 1.294 -5.400 -1.193 1.00 0.00 H new ATOM 0 HD1 TYR A 317 1.798 -4.783 -3.449 1.00 0.00 H new ATOM 0 HD2 TYR A 317 -2.063 -3.922 -1.857 1.00 0.00 H new ATOM 0 HE1 TYR A 317 1.313 -3.363 -5.391 1.00 0.00 H new ATOM 0 HE2 TYR A 317 -2.549 -2.509 -3.805 1.00 0.00 H new ATOM 0 HH TYR A 317 -1.822 -1.685 -5.720 1.00 0.00 H new ATOM 226 N ASN A 318 -0.217 -8.224 -3.297 1.00 0.00 N ATOM 227 CA ASN A 318 0.427 -9.095 -4.283 1.00 0.00 C ATOM 228 C ASN A 318 0.278 -8.516 -5.701 1.00 0.00 C ATOM 229 O ASN A 318 -0.671 -7.769 -5.954 1.00 0.00 O ATOM 230 CB ASN A 318 -0.175 -10.502 -4.230 1.00 0.00 C ATOM 231 CG ASN A 318 0.199 -11.251 -2.964 1.00 0.00 C ATOM 232 OD1 ASN A 318 -0.504 -11.183 -1.957 1.00 0.00 O ATOM 233 ND2 ASN A 318 1.314 -11.972 -3.012 1.00 0.00 N ATOM 0 H ASN A 318 -1.221 -8.111 -3.436 1.00 0.00 H new ATOM 0 HA ASN A 318 1.488 -9.154 -4.039 1.00 0.00 H new ATOM 0 HB2 ASN A 318 -1.261 -10.431 -4.298 1.00 0.00 H new ATOM 0 HB3 ASN A 318 0.163 -11.070 -5.097 1.00 0.00 H new ATOM 0 HD21 ASN A 318 1.617 -12.498 -2.192 1.00 0.00 H new ATOM 0 HD22 ASN A 318 1.867 -12.000 -3.869 1.00 0.00 H new ATOM 240 N PRO A 319 1.206 -8.846 -6.658 1.00 0.00 N ATOM 241 CA PRO A 319 1.132 -8.338 -8.046 1.00 0.00 C ATOM 242 C PRO A 319 -0.041 -8.947 -8.844 1.00 0.00 C ATOM 243 O PRO A 319 -0.242 -10.165 -8.784 1.00 0.00 O ATOM 244 CB PRO A 319 2.469 -8.772 -8.678 1.00 0.00 C ATOM 245 CG PRO A 319 3.327 -9.225 -7.546 1.00 0.00 C ATOM 246 CD PRO A 319 2.393 -9.714 -6.480 1.00 0.00 C ATOM 0 HA PRO A 319 0.965 -7.261 -8.058 1.00 0.00 H new ATOM 0 HB2 PRO A 319 2.318 -9.575 -9.399 1.00 0.00 H new ATOM 0 HB3 PRO A 319 2.934 -7.945 -9.214 1.00 0.00 H new ATOM 0 HG2 PRO A 319 4.004 -10.018 -7.864 1.00 0.00 H new ATOM 0 HG3 PRO A 319 3.946 -8.408 -7.176 1.00 0.00 H new ATOM 0 HD2 PRO A 319 2.146 -10.768 -6.611 1.00 0.00 H new ATOM 0 HD3 PRO A 319 2.825 -9.609 -5.485 1.00 0.00 H new ATOM 254 N PRO A 320 -0.842 -8.125 -9.601 1.00 0.00 N ATOM 255 CA PRO A 320 -1.978 -8.637 -10.401 1.00 0.00 C ATOM 256 C PRO A 320 -1.547 -9.321 -11.714 1.00 0.00 C ATOM 257 O PRO A 320 -2.365 -9.507 -12.625 1.00 0.00 O ATOM 258 CB PRO A 320 -2.815 -7.374 -10.706 1.00 0.00 C ATOM 259 CG PRO A 320 -2.181 -6.258 -9.941 1.00 0.00 C ATOM 260 CD PRO A 320 -0.752 -6.653 -9.721 1.00 0.00 C ATOM 0 HA PRO A 320 -2.520 -9.409 -9.855 1.00 0.00 H new ATOM 0 HB2 PRO A 320 -2.820 -7.159 -11.775 1.00 0.00 H new ATOM 0 HB3 PRO A 320 -3.853 -7.513 -10.404 1.00 0.00 H new ATOM 0 HG2 PRO A 320 -2.244 -5.322 -10.496 1.00 0.00 H new ATOM 0 HG3 PRO A 320 -2.691 -6.100 -8.991 1.00 0.00 H new ATOM 0 HD2 PRO A 320 -0.115 -6.352 -10.553 1.00 0.00 H new ATOM 0 HD3 PRO A 320 -0.339 -6.197 -8.821 1.00 0.00 H new ATOM 268 N LEU A 321 -0.270 -9.712 -11.790 1.00 0.00 N ATOM 269 CA LEU A 321 0.278 -10.375 -12.975 1.00 0.00 C ATOM 270 C LEU A 321 0.317 -11.889 -12.784 1.00 0.00 C ATOM 271 O LEU A 321 0.582 -12.375 -11.682 1.00 0.00 O ATOM 272 CB LEU A 321 1.689 -9.856 -13.285 1.00 0.00 C ATOM 273 CG LEU A 321 1.772 -8.385 -13.713 1.00 0.00 C ATOM 274 CD1 LEU A 321 2.006 -7.488 -12.508 1.00 0.00 C ATOM 275 CD2 LEU A 321 2.874 -8.193 -14.745 1.00 0.00 C ATOM 0 H LEU A 321 0.406 -9.579 -11.038 1.00 0.00 H new ATOM 0 HA LEU A 321 -0.377 -10.144 -13.815 1.00 0.00 H new ATOM 0 HB2 LEU A 321 2.311 -9.995 -12.401 1.00 0.00 H new ATOM 0 HB3 LEU A 321 2.118 -10.471 -14.076 1.00 0.00 H new ATOM 0 HG LEU A 321 0.821 -8.105 -14.167 1.00 0.00 H new ATOM 0 HD11 LEU A 321 2.062 -6.449 -12.833 1.00 0.00 H new ATOM 0 HD12 LEU A 321 1.183 -7.604 -11.803 1.00 0.00 H new ATOM 0 HD13 LEU A 321 2.941 -7.767 -12.023 1.00 0.00 H new ATOM 0 HD21 LEU A 321 2.919 -7.144 -15.038 1.00 0.00 H new ATOM 0 HD22 LEU A 321 3.830 -8.492 -14.316 1.00 0.00 H new ATOM 0 HD23 LEU A 321 2.662 -8.806 -15.621 1.00 0.00 H new ATOM 287 N VAL A 322 0.051 -12.630 -13.880 1.00 0.00 N ATOM 288 CA VAL A 322 0.041 -14.117 -13.892 1.00 0.00 C ATOM 289 C VAL A 322 -1.094 -14.671 -13.011 1.00 0.00 C ATOM 290 O VAL A 322 -1.270 -14.242 -11.868 1.00 0.00 O ATOM 291 CB VAL A 322 1.411 -14.748 -13.451 1.00 0.00 C ATOM 292 CG1 VAL A 322 1.465 -16.242 -13.767 1.00 0.00 C ATOM 293 CG2 VAL A 322 2.591 -14.041 -14.113 1.00 0.00 C ATOM 0 H VAL A 322 -0.164 -12.217 -14.787 1.00 0.00 H new ATOM 0 HA VAL A 322 -0.129 -14.405 -14.929 1.00 0.00 H new ATOM 0 HB VAL A 322 1.485 -14.615 -12.372 1.00 0.00 H new ATOM 0 HG11 VAL A 322 2.426 -16.647 -13.449 1.00 0.00 H new ATOM 0 HG12 VAL A 322 0.662 -16.755 -13.238 1.00 0.00 H new ATOM 0 HG13 VAL A 322 1.346 -16.391 -14.840 1.00 0.00 H new ATOM 0 HG21 VAL A 322 3.522 -14.503 -13.786 1.00 0.00 H new ATOM 0 HG22 VAL A 322 2.505 -14.126 -15.196 1.00 0.00 H new ATOM 0 HG23 VAL A 322 2.589 -12.988 -13.831 1.00 0.00 H new ATOM 303 N GLU A 323 -1.849 -15.624 -13.567 1.00 0.00 N ATOM 304 CA GLU A 323 -2.968 -16.250 -12.857 1.00 0.00 C ATOM 305 C GLU A 323 -2.551 -17.596 -12.261 1.00 0.00 C ATOM 306 O GLU A 323 -2.626 -17.739 -11.023 1.00 0.00 O ATOM 307 CB GLU A 323 -4.167 -16.436 -13.797 1.00 0.00 C ATOM 308 CG GLU A 323 -4.891 -15.140 -14.137 1.00 0.00 C ATOM 309 CD GLU A 323 -6.070 -15.358 -15.064 1.00 0.00 C ATOM 310 OE1 GLU A 323 -7.190 -15.579 -14.560 1.00 0.00 O ATOM 311 OE2 GLU A 323 -5.872 -15.303 -16.298 1.00 0.00 O1- ATOM 312 OXT GLU A 323 -2.142 -18.490 -13.035 1.00 0.00 O1- ATOM 0 H GLU A 323 -1.704 -15.980 -14.512 1.00 0.00 H new ATOM 0 HA GLU A 323 -3.262 -15.589 -12.042 1.00 0.00 H new ATOM 0 HB2 GLU A 323 -3.823 -16.902 -14.721 1.00 0.00 H new ATOM 0 HB3 GLU A 323 -4.874 -17.126 -13.336 1.00 0.00 H new ATOM 0 HG2 GLU A 323 -5.239 -14.670 -13.217 1.00 0.00 H new ATOM 0 HG3 GLU A 323 -4.190 -14.448 -14.603 1.00 0.00 H new TER 319 GLU A 323