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 -5.984 13.797 -10.066 1.00 0.00 N ATOM 2 CA GLY A 304 -6.702 12.643 -9.458 1.00 0.00 C ATOM 3 C GLY A 304 -7.558 13.050 -8.276 1.00 0.00 C ATOM 4 O GLY A 304 -8.127 14.145 -8.266 1.00 0.00 O ATOM 0 HA2 GLY A 304 -7.331 12.172 -10.213 1.00 0.00 H new ATOM 0 HA3 GLY A 304 -5.976 11.896 -9.137 1.00 0.00 H new ATOM 10 N PHE A 305 -7.648 12.161 -7.282 1.00 0.00 N ATOM 11 CA PHE A 305 -8.440 12.413 -6.075 1.00 0.00 C ATOM 12 C PHE A 305 -7.600 12.171 -4.807 1.00 0.00 C ATOM 13 O PHE A 305 -6.606 11.443 -4.871 1.00 0.00 O ATOM 14 CB PHE A 305 -9.685 11.518 -6.058 1.00 0.00 C ATOM 15 CG PHE A 305 -10.708 11.878 -7.101 1.00 0.00 C ATOM 16 CD1 PHE A 305 -10.664 11.303 -8.362 1.00 0.00 C ATOM 17 CD2 PHE A 305 -11.712 12.791 -6.821 1.00 0.00 C ATOM 18 CE1 PHE A 305 -11.603 11.631 -9.322 1.00 0.00 C ATOM 19 CE2 PHE A 305 -12.654 13.123 -7.776 1.00 0.00 C ATOM 20 CZ PHE A 305 -12.599 12.542 -9.028 1.00 0.00 C ATOM 0 H PHE A 305 -7.179 11.255 -7.291 1.00 0.00 H new ATOM 0 HA PHE A 305 -8.753 13.457 -6.087 1.00 0.00 H new ATOM 0 HB2 PHE A 305 -9.378 10.483 -6.206 1.00 0.00 H new ATOM 0 HB3 PHE A 305 -10.149 11.576 -5.073 1.00 0.00 H new ATOM 0 HD1 PHE A 305 -9.887 10.591 -8.597 1.00 0.00 H new ATOM 0 HD2 PHE A 305 -11.759 13.249 -5.844 1.00 0.00 H new ATOM 0 HE1 PHE A 305 -11.558 11.176 -10.300 1.00 0.00 H new ATOM 0 HE2 PHE A 305 -13.432 13.835 -7.544 1.00 0.00 H new ATOM 0 HZ PHE A 305 -13.334 12.800 -9.776 1.00 0.00 H new ATOM 30 N PRO A 306 -7.975 12.768 -3.626 1.00 0.00 N ATOM 31 CA PRO A 306 -7.224 12.583 -2.367 1.00 0.00 C ATOM 32 C PRO A 306 -7.452 11.205 -1.740 1.00 0.00 C ATOM 33 O PRO A 306 -8.534 10.626 -1.876 1.00 0.00 O ATOM 34 CB PRO A 306 -7.773 13.679 -1.435 1.00 0.00 C ATOM 35 CG PRO A 306 -8.649 14.541 -2.284 1.00 0.00 C ATOM 36 CD PRO A 306 -9.127 13.669 -3.407 1.00 0.00 C ATOM 0 HA PRO A 306 -6.150 12.650 -2.539 1.00 0.00 H new ATOM 0 HB2 PRO A 306 -8.336 13.243 -0.610 1.00 0.00 H new ATOM 0 HB3 PRO A 306 -6.962 14.260 -0.996 1.00 0.00 H new ATOM 0 HG2 PRO A 306 -9.489 14.930 -1.708 1.00 0.00 H new ATOM 0 HG3 PRO A 306 -8.098 15.401 -2.665 1.00 0.00 H new ATOM 0 HD2 PRO A 306 -10.028 13.118 -3.137 1.00 0.00 H new ATOM 0 HD3 PRO A 306 -9.363 14.249 -4.299 1.00 0.00 H new ATOM 44 N ARG A 307 -6.421 10.696 -1.059 1.00 0.00 N ATOM 45 CA ARG A 307 -6.486 9.389 -0.402 1.00 0.00 C ATOM 46 C ARG A 307 -6.031 9.488 1.050 1.00 0.00 C ATOM 47 O ARG A 307 -5.127 10.264 1.373 1.00 0.00 O ATOM 48 CB ARG A 307 -5.623 8.365 -1.148 1.00 0.00 C ATOM 49 CG ARG A 307 -6.223 7.898 -2.468 1.00 0.00 C ATOM 50 CD ARG A 307 -5.346 6.851 -3.136 1.00 0.00 C ATOM 51 NE ARG A 307 -5.923 6.378 -4.399 1.00 0.00 N ATOM 52 CZ ARG A 307 -5.461 5.334 -5.105 1.00 0.00 C ATOM 53 NH1 ARG A 307 -4.407 4.635 -4.691 1.00 0.00 N1+ ATOM 54 NH2 ARG A 307 -6.061 4.992 -6.237 1.00 0.00 N ATOM 0 H ARG A 307 -5.526 11.174 -0.949 1.00 0.00 H new ATOM 0 HA ARG A 307 -7.524 9.057 -0.421 1.00 0.00 H new ATOM 0 HB2 ARG A 307 -4.643 8.801 -1.340 1.00 0.00 H new ATOM 0 HB3 ARG A 307 -5.466 7.499 -0.505 1.00 0.00 H new ATOM 0 HG2 ARG A 307 -7.216 7.485 -2.292 1.00 0.00 H new ATOM 0 HG3 ARG A 307 -6.347 8.751 -3.135 1.00 0.00 H new ATOM 0 HD2 ARG A 307 -4.358 7.271 -3.323 1.00 0.00 H new ATOM 0 HD3 ARG A 307 -5.210 6.007 -2.460 1.00 0.00 H new ATOM 0 HE ARG A 307 -6.733 6.878 -4.767 1.00 0.00 H new ATOM 0 HH11 ARG A 307 -3.935 4.889 -3.823 1.00 0.00 H new ATOM 0 HH12 ARG A 307 -4.071 3.845 -5.241 1.00 0.00 H new ATOM 0 HH21 ARG A 307 -6.868 5.521 -6.566 1.00 0.00 H new ATOM 0 HH22 ARG A 307 -5.715 4.200 -6.778 1.00 0.00 H new ATOM 68 N ALA A 308 -6.668 8.693 1.917 1.00 0.00 N ATOM 69 CA ALA A 308 -6.343 8.673 3.344 1.00 0.00 C ATOM 70 C ALA A 308 -5.493 7.454 3.705 1.00 0.00 C ATOM 71 O ALA A 308 -4.529 7.571 4.468 1.00 0.00 O ATOM 72 CB ALA A 308 -7.619 8.701 4.174 1.00 0.00 C ATOM 0 H ALA A 308 -7.416 8.052 1.651 1.00 0.00 H new ATOM 0 HA ALA A 308 -5.756 9.563 3.569 1.00 0.00 H new ATOM 0 HB1 ALA A 308 -7.364 8.686 5.234 1.00 0.00 H new ATOM 0 HB2 ALA A 308 -8.180 9.608 3.949 1.00 0.00 H new ATOM 0 HB3 ALA A 308 -8.228 7.829 3.935 1.00 0.00 H new ATOM 78 N LEU A 309 -5.858 6.291 3.152 1.00 0.00 N ATOM 79 CA LEU A 309 -5.137 5.043 3.406 1.00 0.00 C ATOM 80 C LEU A 309 -4.437 4.547 2.127 1.00 0.00 C ATOM 81 O LEU A 309 -5.108 4.355 1.107 1.00 0.00 O ATOM 82 CB LEU A 309 -6.100 3.966 3.929 1.00 0.00 C ATOM 83 CG LEU A 309 -6.691 4.221 5.321 1.00 0.00 C ATOM 84 CD1 LEU A 309 -8.061 3.571 5.444 1.00 0.00 C ATOM 85 CD2 LEU A 309 -5.761 3.697 6.410 1.00 0.00 C ATOM 0 H LEU A 309 -6.654 6.191 2.522 1.00 0.00 H new ATOM 0 HA LEU A 309 -4.378 5.237 4.164 1.00 0.00 H new ATOM 0 HB2 LEU A 309 -6.921 3.863 3.219 1.00 0.00 H new ATOM 0 HB3 LEU A 309 -5.573 3.012 3.947 1.00 0.00 H new ATOM 0 HG LEU A 309 -6.800 5.298 5.450 1.00 0.00 H new ATOM 0 HD11 LEU A 309 -8.466 3.762 6.438 1.00 0.00 H new ATOM 0 HD12 LEU A 309 -8.731 3.989 4.693 1.00 0.00 H new ATOM 0 HD13 LEU A 309 -7.969 2.496 5.290 1.00 0.00 H new ATOM 0 HD21 LEU A 309 -6.202 3.889 7.388 1.00 0.00 H new ATOM 0 HD22 LEU A 309 -5.618 2.624 6.281 1.00 0.00 H new ATOM 0 HD23 LEU A 309 -4.798 4.202 6.340 1.00 0.00 H new ATOM 97 N PRO A 310 -3.078 4.335 2.142 1.00 0.00 N ATOM 98 CA PRO A 310 -2.339 3.850 0.958 1.00 0.00 C ATOM 99 C PRO A 310 -2.689 2.397 0.586 1.00 0.00 C ATOM 100 O PRO A 310 -3.268 1.661 1.389 1.00 0.00 O ATOM 101 CB PRO A 310 -0.856 4.001 1.335 1.00 0.00 C ATOM 102 CG PRO A 310 -0.828 4.777 2.609 1.00 0.00 C ATOM 103 CD PRO A 310 -2.156 4.565 3.279 1.00 0.00 C ATOM 0 HA PRO A 310 -2.601 4.422 0.068 1.00 0.00 H new ATOM 0 HB2 PRO A 310 -0.385 3.026 1.462 1.00 0.00 H new ATOM 0 HB3 PRO A 310 -0.306 4.520 0.550 1.00 0.00 H new ATOM 0 HG2 PRO A 310 -0.014 4.438 3.250 1.00 0.00 H new ATOM 0 HG3 PRO A 310 -0.659 5.836 2.413 1.00 0.00 H new ATOM 0 HD2 PRO A 310 -2.133 3.712 3.957 1.00 0.00 H new ATOM 0 HD3 PRO A 310 -2.452 5.433 3.868 1.00 0.00 H new ATOM 111 N ALA A 311 -2.319 2.014 -0.645 1.00 0.00 N ATOM 112 CA ALA A 311 -2.638 0.686 -1.205 1.00 0.00 C ATOM 113 C ALA A 311 -1.516 -0.262 -0.899 1.00 0.00 C ATOM 114 O ALA A 311 -1.675 -1.479 -0.768 1.00 0.00 O ATOM 115 CB ALA A 311 -2.884 0.775 -2.706 1.00 0.00 C ATOM 0 H ALA A 311 -1.792 2.612 -1.281 1.00 0.00 H new ATOM 0 HA ALA A 311 -3.554 0.314 -0.746 1.00 0.00 H new ATOM 0 HB1 ALA A 311 -3.117 -0.216 -3.096 1.00 0.00 H new ATOM 0 HB2 ALA A 311 -3.721 1.447 -2.898 1.00 0.00 H new ATOM 0 HB3 ALA A 311 -1.990 1.158 -3.199 1.00 0.00 H new ATOM 121 N TRP A 312 -0.381 0.386 -0.796 1.00 0.00 N ATOM 122 CA TRP A 312 0.905 -0.204 -0.503 1.00 0.00 C ATOM 123 C TRP A 312 1.012 -0.460 0.995 1.00 0.00 C ATOM 124 O TRP A 312 1.911 -1.143 1.493 1.00 0.00 O ATOM 125 CB TRP A 312 1.948 0.800 -1.034 1.00 0.00 C ATOM 126 CG TRP A 312 2.110 2.099 -0.257 1.00 0.00 C ATOM 127 CD1 TRP A 312 1.777 3.341 -0.719 1.00 0.00 C ATOM 128 CD2 TRP A 312 2.636 2.302 1.074 1.00 0.00 C ATOM 129 NE1 TRP A 312 2.043 4.293 0.231 1.00 0.00 N ATOM 130 CE2 TRP A 312 2.563 3.684 1.339 1.00 0.00 C ATOM 131 CE3 TRP A 312 3.147 1.460 2.069 1.00 0.00 C ATOM 132 CZ2 TRP A 312 2.977 4.236 2.548 1.00 0.00 C ATOM 133 CZ3 TRP A 312 3.556 2.009 3.266 1.00 0.00 C ATOM 134 CH2 TRP A 312 3.467 3.384 3.498 1.00 0.00 C ATOM 0 H TRP A 312 -0.326 1.397 -0.921 1.00 0.00 H new ATOM 0 HA TRP A 312 1.061 -1.173 -0.977 1.00 0.00 H new ATOM 0 HB2 TRP A 312 2.916 0.300 -1.064 1.00 0.00 H new ATOM 0 HB3 TRP A 312 1.686 1.050 -2.062 1.00 0.00 H new ATOM 0 HD1 TRP A 312 1.362 3.544 -1.695 1.00 0.00 H new ATOM 0 HE1 TRP A 312 1.879 5.294 0.128 1.00 0.00 H new ATOM 0 HE3 TRP A 312 3.220 0.396 1.901 1.00 0.00 H new ATOM 0 HZ2 TRP A 312 2.913 5.299 2.729 1.00 0.00 H new ATOM 0 HZ3 TRP A 312 3.952 1.365 4.037 1.00 0.00 H new ATOM 0 HH2 TRP A 312 3.792 3.782 4.448 1.00 0.00 H new ATOM 145 N ALA A 313 0.022 0.107 1.660 1.00 0.00 N ATOM 146 CA ALA A 313 -0.155 0.081 3.094 1.00 0.00 C ATOM 147 C ALA A 313 -0.896 -1.186 3.567 1.00 0.00 C ATOM 148 O ALA A 313 -1.519 -1.199 4.638 1.00 0.00 O ATOM 149 CB ALA A 313 -0.928 1.345 3.429 1.00 0.00 C ATOM 0 H ALA A 313 -0.718 0.625 1.185 1.00 0.00 H new ATOM 0 HA ALA A 313 0.805 0.049 3.609 1.00 0.00 H new ATOM 0 HB1 ALA A 313 -1.099 1.392 4.504 1.00 0.00 H new ATOM 0 HB2 ALA A 313 -0.354 2.217 3.114 1.00 0.00 H new ATOM 0 HB3 ALA A 313 -1.886 1.334 2.909 1.00 0.00 H new ATOM 155 N ARG A 314 -0.797 -2.251 2.764 1.00 0.00 N ATOM 156 CA ARG A 314 -1.441 -3.524 3.056 1.00 0.00 C ATOM 157 C ARG A 314 -0.421 -4.673 2.940 1.00 0.00 C ATOM 158 O ARG A 314 -0.023 -5.031 1.827 1.00 0.00 O ATOM 159 CB ARG A 314 -2.628 -3.761 2.108 1.00 0.00 C ATOM 160 CG ARG A 314 -3.843 -2.899 2.416 1.00 0.00 C ATOM 161 CD ARG A 314 -4.987 -3.185 1.456 1.00 0.00 C ATOM 162 NE ARG A 314 -6.167 -2.364 1.747 1.00 0.00 N ATOM 163 CZ ARG A 314 -7.336 -2.448 1.096 1.00 0.00 C ATOM 164 NH1 ARG A 314 -7.509 -3.318 0.102 1.00 0.00 N1+ ATOM 165 NH2 ARG A 314 -8.338 -1.654 1.445 1.00 0.00 N ATOM 0 H ARG A 314 -0.266 -2.248 1.893 1.00 0.00 H new ATOM 0 HA ARG A 314 -1.821 -3.495 4.077 1.00 0.00 H new ATOM 0 HB2 ARG A 314 -2.307 -3.568 1.084 1.00 0.00 H new ATOM 0 HB3 ARG A 314 -2.917 -4.811 2.159 1.00 0.00 H new ATOM 0 HG2 ARG A 314 -4.171 -3.083 3.439 1.00 0.00 H new ATOM 0 HG3 ARG A 314 -3.569 -1.846 2.353 1.00 0.00 H new ATOM 0 HD2 ARG A 314 -4.658 -2.997 0.434 1.00 0.00 H new ATOM 0 HD3 ARG A 314 -5.255 -4.240 1.516 1.00 0.00 H new ATOM 0 HE ARG A 314 -6.093 -1.679 2.499 1.00 0.00 H new ATOM 0 HH11 ARG A 314 -6.745 -3.934 -0.175 1.00 0.00 H new ATOM 0 HH12 ARG A 314 -8.406 -3.368 -0.382 1.00 0.00 H new ATOM 0 HH21 ARG A 314 -8.217 -0.984 2.205 1.00 0.00 H new ATOM 0 HH22 ARG A 314 -9.230 -1.713 0.954 1.00 0.00 H new ATOM 179 N PRO A 315 0.050 -5.260 4.089 1.00 0.00 N ATOM 180 CA PRO A 315 1.031 -6.379 4.103 1.00 0.00 C ATOM 181 C PRO A 315 0.684 -7.551 3.186 1.00 0.00 C ATOM 182 O PRO A 315 1.562 -8.298 2.744 1.00 0.00 O ATOM 183 CB PRO A 315 1.031 -6.856 5.564 1.00 0.00 C ATOM 184 CG PRO A 315 -0.075 -6.114 6.245 1.00 0.00 C ATOM 185 CD PRO A 315 -0.282 -4.852 5.465 1.00 0.00 C ATOM 0 HA PRO A 315 1.993 -6.026 3.733 1.00 0.00 H new ATOM 0 HB2 PRO A 315 0.871 -7.933 5.622 1.00 0.00 H new ATOM 0 HB3 PRO A 315 1.989 -6.650 6.041 1.00 0.00 H new ATOM 0 HG2 PRO A 315 -0.987 -6.711 6.267 1.00 0.00 H new ATOM 0 HG3 PRO A 315 0.186 -5.892 7.280 1.00 0.00 H new ATOM 0 HD2 PRO A 315 -1.308 -4.492 5.544 1.00 0.00 H new ATOM 0 HD3 PRO A 315 0.366 -4.049 5.816 1.00 0.00 H new ATOM 193 N ASP A 316 -0.600 -7.685 2.925 1.00 0.00 N ATOM 194 CA ASP A 316 -1.143 -8.745 2.064 1.00 0.00 C ATOM 195 C ASP A 316 -1.174 -8.318 0.581 1.00 0.00 C ATOM 196 O ASP A 316 -1.984 -8.822 -0.209 1.00 0.00 O ATOM 197 CB ASP A 316 -2.550 -9.133 2.543 1.00 0.00 C ATOM 198 CG ASP A 316 -2.532 -9.884 3.863 1.00 0.00 C ATOM 199 OD1 ASP A 316 -2.604 -9.226 4.922 1.00 0.00 O ATOM 200 OD2 ASP A 316 -2.445 -11.130 3.835 1.00 0.00 O1- ATOM 0 H ASP A 316 -1.313 -7.061 3.303 1.00 0.00 H new ATOM 0 HA ASP A 316 -0.485 -9.611 2.137 1.00 0.00 H new ATOM 0 HB2 ASP A 316 -3.154 -8.232 2.650 1.00 0.00 H new ATOM 0 HB3 ASP A 316 -3.030 -9.751 1.784 1.00 0.00 H new ATOM 205 N TYR A 317 -0.265 -7.405 0.210 1.00 0.00 N ATOM 206 CA TYR A 317 -0.169 -6.901 -1.162 1.00 0.00 C ATOM 207 C TYR A 317 0.936 -7.635 -1.926 1.00 0.00 C ATOM 208 O TYR A 317 2.118 -7.542 -1.577 1.00 0.00 O ATOM 209 CB TYR A 317 0.092 -5.385 -1.145 1.00 0.00 C ATOM 210 CG TYR A 317 -0.179 -4.673 -2.459 1.00 0.00 C ATOM 211 CD1 TYR A 317 -1.474 -4.346 -2.847 1.00 0.00 C ATOM 212 CD2 TYR A 317 0.866 -4.322 -3.304 1.00 0.00 C ATOM 213 CE1 TYR A 317 -1.718 -3.690 -4.040 1.00 0.00 C ATOM 214 CE2 TYR A 317 0.630 -3.668 -4.499 1.00 0.00 C ATOM 215 CZ TYR A 317 -0.663 -3.354 -4.861 1.00 0.00 C ATOM 216 OH TYR A 317 -0.901 -2.702 -6.049 1.00 0.00 O ATOM 0 H TYR A 317 0.418 -6.999 0.849 1.00 0.00 H new ATOM 0 HA TYR A 317 -1.113 -7.086 -1.675 1.00 0.00 H new ATOM 0 HB2 TYR A 317 -0.527 -4.933 -0.370 1.00 0.00 H new ATOM 0 HB3 TYR A 317 1.131 -5.213 -0.863 1.00 0.00 H new ATOM 0 HD1 TYR A 317 -2.303 -4.609 -2.206 1.00 0.00 H new ATOM 0 HD2 TYR A 317 1.880 -4.564 -3.023 1.00 0.00 H new ATOM 0 HE1 TYR A 317 -2.729 -3.442 -4.327 1.00 0.00 H new ATOM 0 HE2 TYR A 317 1.454 -3.404 -5.146 1.00 0.00 H new ATOM 0 HH TYR A 317 -0.051 -2.537 -6.508 1.00 0.00 H new ATOM 226 N ASN A 318 0.528 -8.373 -2.961 1.00 0.00 N ATOM 227 CA ASN A 318 1.458 -9.135 -3.797 1.00 0.00 C ATOM 228 C ASN A 318 1.617 -8.479 -5.175 1.00 0.00 C ATOM 229 O ASN A 318 0.649 -7.925 -5.702 1.00 0.00 O ATOM 230 CB ASN A 318 0.973 -10.579 -3.960 1.00 0.00 C ATOM 231 CG ASN A 318 1.088 -11.383 -2.678 1.00 0.00 C ATOM 232 OD1 ASN A 318 0.163 -11.419 -1.868 1.00 0.00 O ATOM 233 ND2 ASN A 318 2.231 -12.034 -2.489 1.00 0.00 N ATOM 0 H ASN A 318 -0.449 -8.459 -3.242 1.00 0.00 H new ATOM 0 HA ASN A 318 2.429 -9.141 -3.301 1.00 0.00 H new ATOM 0 HB2 ASN A 318 -0.066 -10.574 -4.289 1.00 0.00 H new ATOM 0 HB3 ASN A 318 1.553 -11.067 -4.743 1.00 0.00 H new ATOM 0 HD21 ASN A 318 2.367 -12.591 -1.646 1.00 0.00 H new ATOM 0 HD22 ASN A 318 2.972 -11.976 -3.187 1.00 0.00 H new ATOM 240 N PRO A 319 2.843 -8.531 -5.789 1.00 0.00 N ATOM 241 CA PRO A 319 3.092 -7.929 -7.116 1.00 0.00 C ATOM 242 C PRO A 319 2.448 -8.726 -8.275 1.00 0.00 C ATOM 243 O PRO A 319 2.569 -9.954 -8.302 1.00 0.00 O ATOM 244 CB PRO A 319 4.623 -7.951 -7.232 1.00 0.00 C ATOM 245 CG PRO A 319 5.070 -9.072 -6.356 1.00 0.00 C ATOM 246 CD PRO A 319 4.074 -9.152 -5.231 1.00 0.00 C ATOM 0 HA PRO A 319 2.654 -6.934 -7.193 1.00 0.00 H new ATOM 0 HB2 PRO A 319 4.937 -8.109 -8.264 1.00 0.00 H new ATOM 0 HB3 PRO A 319 5.055 -7.004 -6.909 1.00 0.00 H new ATOM 0 HG2 PRO A 319 5.105 -10.009 -6.911 1.00 0.00 H new ATOM 0 HG3 PRO A 319 6.074 -8.890 -5.974 1.00 0.00 H new ATOM 0 HD2 PRO A 319 3.897 -10.184 -4.928 1.00 0.00 H new ATOM 0 HD3 PRO A 319 4.426 -8.617 -4.349 1.00 0.00 H new ATOM 254 N PRO A 320 1.754 -8.052 -9.254 1.00 0.00 N ATOM 255 CA PRO A 320 1.122 -8.740 -10.397 1.00 0.00 C ATOM 256 C PRO A 320 2.148 -9.267 -11.405 1.00 0.00 C ATOM 257 O PRO A 320 2.810 -8.493 -12.109 1.00 0.00 O ATOM 258 CB PRO A 320 0.230 -7.665 -11.047 1.00 0.00 C ATOM 259 CG PRO A 320 0.219 -6.516 -10.095 1.00 0.00 C ATOM 260 CD PRO A 320 1.503 -6.597 -9.323 1.00 0.00 C ATOM 0 HA PRO A 320 0.566 -9.618 -10.069 1.00 0.00 H new ATOM 0 HB2 PRO A 320 0.624 -7.365 -12.018 1.00 0.00 H new ATOM 0 HB3 PRO A 320 -0.778 -8.043 -11.215 1.00 0.00 H new ATOM 0 HG2 PRO A 320 0.146 -5.569 -10.629 1.00 0.00 H new ATOM 0 HG3 PRO A 320 -0.641 -6.573 -9.427 1.00 0.00 H new ATOM 0 HD2 PRO A 320 2.313 -6.071 -9.829 1.00 0.00 H new ATOM 0 HD3 PRO A 320 1.407 -6.156 -8.331 1.00 0.00 H new ATOM 268 N LEU A 321 2.280 -10.592 -11.445 1.00 0.00 N ATOM 269 CA LEU A 321 3.210 -11.263 -12.355 1.00 0.00 C ATOM 270 C LEU A 321 2.458 -12.079 -13.399 1.00 0.00 C ATOM 271 O LEU A 321 1.485 -12.767 -13.075 1.00 0.00 O ATOM 272 CB LEU A 321 4.168 -12.171 -11.571 1.00 0.00 C ATOM 273 CG LEU A 321 5.173 -11.452 -10.660 1.00 0.00 C ATOM 274 CD1 LEU A 321 5.552 -12.338 -9.484 1.00 0.00 C ATOM 275 CD2 LEU A 321 6.420 -11.048 -11.440 1.00 0.00 C ATOM 0 H LEU A 321 1.749 -11.229 -10.851 1.00 0.00 H new ATOM 0 HA LEU A 321 3.789 -10.495 -12.868 1.00 0.00 H new ATOM 0 HB2 LEU A 321 3.575 -12.852 -10.960 1.00 0.00 H new ATOM 0 HB3 LEU A 321 4.723 -12.782 -12.282 1.00 0.00 H new ATOM 0 HG LEU A 321 4.699 -10.548 -10.279 1.00 0.00 H new ATOM 0 HD11 LEU A 321 6.265 -11.813 -8.848 1.00 0.00 H new ATOM 0 HD12 LEU A 321 4.659 -12.578 -8.907 1.00 0.00 H new ATOM 0 HD13 LEU A 321 6.004 -13.259 -9.853 1.00 0.00 H new ATOM 0 HD21 LEU A 321 7.117 -10.540 -10.774 1.00 0.00 H new ATOM 0 HD22 LEU A 321 6.895 -11.938 -11.853 1.00 0.00 H new ATOM 0 HD23 LEU A 321 6.140 -10.377 -12.252 1.00 0.00 H new ATOM 287 N VAL A 322 2.919 -11.994 -14.651 1.00 0.00 N ATOM 288 CA VAL A 322 2.300 -12.722 -15.765 1.00 0.00 C ATOM 289 C VAL A 322 3.358 -13.335 -16.685 1.00 0.00 C ATOM 290 O VAL A 322 4.215 -12.623 -17.217 1.00 0.00 O ATOM 291 CB VAL A 322 1.332 -11.828 -16.599 1.00 0.00 C ATOM 292 CG1 VAL A 322 0.015 -11.639 -15.859 1.00 0.00 C ATOM 293 CG2 VAL A 322 1.943 -10.466 -16.945 1.00 0.00 C ATOM 0 H VAL A 322 3.722 -11.426 -14.920 1.00 0.00 H new ATOM 0 HA VAL A 322 1.711 -13.521 -15.314 1.00 0.00 H new ATOM 0 HB VAL A 322 1.149 -12.348 -17.539 1.00 0.00 H new ATOM 0 HG11 VAL A 322 -0.650 -11.013 -16.454 1.00 0.00 H new ATOM 0 HG12 VAL A 322 -0.452 -12.610 -15.694 1.00 0.00 H new ATOM 0 HG13 VAL A 322 0.203 -11.159 -14.899 1.00 0.00 H new ATOM 0 HG21 VAL A 322 1.228 -9.883 -17.526 1.00 0.00 H new ATOM 0 HG22 VAL A 322 2.185 -9.932 -16.026 1.00 0.00 H new ATOM 0 HG23 VAL A 322 2.851 -10.613 -17.529 1.00 0.00 H new ATOM 303 N GLU A 323 3.282 -14.657 -16.860 1.00 0.00 N ATOM 304 CA GLU A 323 4.222 -15.386 -17.710 1.00 0.00 C ATOM 305 C GLU A 323 3.468 -16.250 -18.726 1.00 0.00 C ATOM 306 O GLU A 323 3.639 -16.013 -19.941 1.00 0.00 O ATOM 307 CB GLU A 323 5.156 -16.255 -16.846 1.00 0.00 C ATOM 308 CG GLU A 323 6.534 -16.502 -17.460 1.00 0.00 C ATOM 309 CD GLU A 323 7.478 -15.324 -17.293 1.00 0.00 C ATOM 310 OE1 GLU A 323 8.198 -15.279 -16.273 1.00 0.00 O ATOM 311 OE2 GLU A 323 7.498 -14.448 -18.183 1.00 0.00 O1- ATOM 312 OXT GLU A 323 2.709 -17.148 -18.301 1.00 0.00 O1- ATOM 0 H GLU A 323 2.574 -15.246 -16.421 1.00 0.00 H new ATOM 0 HA GLU A 323 4.828 -14.665 -18.259 1.00 0.00 H new ATOM 0 HB2 GLU A 323 5.284 -15.775 -15.876 1.00 0.00 H new ATOM 0 HB3 GLU A 323 4.674 -17.216 -16.665 1.00 0.00 H new ATOM 0 HG2 GLU A 323 6.978 -17.384 -16.999 1.00 0.00 H new ATOM 0 HG3 GLU A 323 6.419 -16.720 -18.522 1.00 0.00 H new TER 319 GLU A 323