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 -11.582 3.429 8.145 1.00 0.00 N ATOM 2 CA GLY A 304 -10.620 3.917 7.120 1.00 0.00 C ATOM 3 C GLY A 304 -11.193 3.866 5.718 1.00 0.00 C ATOM 4 O GLY A 304 -11.915 2.925 5.372 1.00 0.00 O ATOM 0 HA2 GLY A 304 -10.332 4.942 7.355 1.00 0.00 H new ATOM 0 HA3 GLY A 304 -9.713 3.314 7.161 1.00 0.00 H new ATOM 10 N PHE A 305 -10.868 4.883 4.914 1.00 0.00 N ATOM 11 CA PHE A 305 -11.346 4.971 3.533 1.00 0.00 C ATOM 12 C PHE A 305 -10.262 4.498 2.544 1.00 0.00 C ATOM 13 O PHE A 305 -9.078 4.515 2.893 1.00 0.00 O ATOM 14 CB PHE A 305 -11.762 6.410 3.206 1.00 0.00 C ATOM 15 CG PHE A 305 -12.999 6.868 3.932 1.00 0.00 C ATOM 16 CD1 PHE A 305 -12.907 7.456 5.185 1.00 0.00 C ATOM 17 CD2 PHE A 305 -14.251 6.709 3.360 1.00 0.00 C ATOM 18 CE1 PHE A 305 -14.042 7.877 5.852 1.00 0.00 C ATOM 19 CE2 PHE A 305 -15.389 7.129 4.023 1.00 0.00 C ATOM 20 CZ PHE A 305 -15.283 7.714 5.270 1.00 0.00 C ATOM 0 H PHE A 305 -10.272 5.660 5.199 1.00 0.00 H new ATOM 0 HA PHE A 305 -12.213 4.318 3.432 1.00 0.00 H new ATOM 0 HB2 PHE A 305 -10.939 7.081 3.453 1.00 0.00 H new ATOM 0 HB3 PHE A 305 -11.931 6.494 2.132 1.00 0.00 H new ATOM 0 HD1 PHE A 305 -11.938 7.586 5.644 1.00 0.00 H new ATOM 0 HD2 PHE A 305 -14.339 6.252 2.385 1.00 0.00 H new ATOM 0 HE1 PHE A 305 -13.958 8.333 6.827 1.00 0.00 H new ATOM 0 HE2 PHE A 305 -16.359 7.000 3.567 1.00 0.00 H new ATOM 0 HZ PHE A 305 -16.171 8.044 5.789 1.00 0.00 H new ATOM 30 N PRO A 306 -10.633 4.070 1.292 1.00 0.00 N ATOM 31 CA PRO A 306 -9.652 3.606 0.285 1.00 0.00 C ATOM 32 C PRO A 306 -8.832 4.747 -0.330 1.00 0.00 C ATOM 33 O PRO A 306 -7.723 4.521 -0.824 1.00 0.00 O ATOM 34 CB PRO A 306 -10.517 2.942 -0.803 1.00 0.00 C ATOM 35 CG PRO A 306 -11.895 2.862 -0.238 1.00 0.00 C ATOM 36 CD PRO A 306 -12.006 3.987 0.747 1.00 0.00 C ATOM 0 HA PRO A 306 -8.919 2.940 0.739 1.00 0.00 H new ATOM 0 HB2 PRO A 306 -10.505 3.527 -1.722 1.00 0.00 H new ATOM 0 HB3 PRO A 306 -10.139 1.950 -1.052 1.00 0.00 H new ATOM 0 HG2 PRO A 306 -12.645 2.956 -1.024 1.00 0.00 H new ATOM 0 HG3 PRO A 306 -12.062 1.901 0.248 1.00 0.00 H new ATOM 0 HD2 PRO A 306 -12.310 4.918 0.268 1.00 0.00 H new ATOM 0 HD3 PRO A 306 -12.740 3.775 1.525 1.00 0.00 H new ATOM 44 N ARG A 307 -9.387 5.966 -0.291 1.00 0.00 N ATOM 45 CA ARG A 307 -8.719 7.152 -0.842 1.00 0.00 C ATOM 46 C ARG A 307 -7.899 7.892 0.222 1.00 0.00 C ATOM 47 O ARG A 307 -7.090 8.764 -0.111 1.00 0.00 O ATOM 48 CB ARG A 307 -9.750 8.106 -1.459 1.00 0.00 C ATOM 49 CG ARG A 307 -10.328 7.618 -2.780 1.00 0.00 C ATOM 50 CD ARG A 307 -11.310 8.622 -3.363 1.00 0.00 C ATOM 51 NE ARG A 307 -11.873 8.162 -4.638 1.00 0.00 N ATOM 52 CZ ARG A 307 -12.766 8.845 -5.369 1.00 0.00 C ATOM 53 NH1 ARG A 307 -13.220 10.033 -4.971 1.00 0.00 N1+ ATOM 54 NH2 ARG A 307 -13.207 8.332 -6.509 1.00 0.00 N ATOM 0 H ARG A 307 -10.301 6.157 0.119 1.00 0.00 H new ATOM 0 HA ARG A 307 -8.032 6.808 -1.615 1.00 0.00 H new ATOM 0 HB2 ARG A 307 -10.564 8.253 -0.750 1.00 0.00 H new ATOM 0 HB3 ARG A 307 -9.283 9.079 -1.615 1.00 0.00 H new ATOM 0 HG2 ARG A 307 -9.519 7.444 -3.490 1.00 0.00 H new ATOM 0 HG3 ARG A 307 -10.830 6.663 -2.628 1.00 0.00 H new ATOM 0 HD2 ARG A 307 -12.117 8.795 -2.651 1.00 0.00 H new ATOM 0 HD3 ARG A 307 -10.807 9.577 -3.512 1.00 0.00 H new ATOM 0 HE ARG A 307 -11.563 7.258 -4.994 1.00 0.00 H new ATOM 0 HH11 ARG A 307 -12.888 10.439 -4.096 1.00 0.00 H new ATOM 0 HH12 ARG A 307 -13.899 10.537 -5.541 1.00 0.00 H new ATOM 0 HH21 ARG A 307 -12.867 7.424 -6.825 1.00 0.00 H new ATOM 0 HH22 ARG A 307 -13.886 8.846 -7.070 1.00 0.00 H new ATOM 68 N ALA A 308 -8.114 7.538 1.497 1.00 0.00 N ATOM 69 CA ALA A 308 -7.401 8.163 2.615 1.00 0.00 C ATOM 70 C ALA A 308 -6.143 7.374 2.996 1.00 0.00 C ATOM 71 O ALA A 308 -5.098 7.970 3.278 1.00 0.00 O ATOM 72 CB ALA A 308 -8.326 8.305 3.815 1.00 0.00 C ATOM 0 H ALA A 308 -8.780 6.818 1.778 1.00 0.00 H new ATOM 0 HA ALA A 308 -7.081 9.154 2.294 1.00 0.00 H new ATOM 0 HB1 ALA A 308 -7.785 8.770 4.639 1.00 0.00 H new ATOM 0 HB2 ALA A 308 -9.180 8.926 3.545 1.00 0.00 H new ATOM 0 HB3 ALA A 308 -8.677 7.320 4.122 1.00 0.00 H new ATOM 78 N LEU A 309 -6.254 6.038 3.003 1.00 0.00 N ATOM 79 CA LEU A 309 -5.128 5.165 3.343 1.00 0.00 C ATOM 80 C LEU A 309 -4.426 4.655 2.074 1.00 0.00 C ATOM 81 O LEU A 309 -5.078 4.516 1.035 1.00 0.00 O ATOM 82 CB LEU A 309 -5.604 3.973 4.187 1.00 0.00 C ATOM 83 CG LEU A 309 -6.080 4.312 5.603 1.00 0.00 C ATOM 84 CD1 LEU A 309 -7.576 4.597 5.618 1.00 0.00 C ATOM 85 CD2 LEU A 309 -5.742 3.180 6.563 1.00 0.00 C ATOM 0 H LEU A 309 -7.115 5.540 2.776 1.00 0.00 H new ATOM 0 HA LEU A 309 -4.416 5.751 3.925 1.00 0.00 H new ATOM 0 HB2 LEU A 309 -6.419 3.479 3.658 1.00 0.00 H new ATOM 0 HB3 LEU A 309 -4.788 3.254 4.260 1.00 0.00 H new ATOM 0 HG LEU A 309 -5.560 5.212 5.931 1.00 0.00 H new ATOM 0 HD11 LEU A 309 -7.891 4.835 6.634 1.00 0.00 H new ATOM 0 HD12 LEU A 309 -7.792 5.442 4.964 1.00 0.00 H new ATOM 0 HD13 LEU A 309 -8.117 3.718 5.267 1.00 0.00 H new ATOM 0 HD21 LEU A 309 -6.087 3.437 7.564 1.00 0.00 H new ATOM 0 HD22 LEU A 309 -6.234 2.265 6.234 1.00 0.00 H new ATOM 0 HD23 LEU A 309 -4.663 3.027 6.579 1.00 0.00 H new ATOM 97 N PRO A 310 -3.083 4.362 2.124 1.00 0.00 N ATOM 98 CA PRO A 310 -2.334 3.865 0.953 1.00 0.00 C ATOM 99 C PRO A 310 -2.691 2.413 0.585 1.00 0.00 C ATOM 100 O PRO A 310 -3.283 1.684 1.386 1.00 0.00 O ATOM 101 CB PRO A 310 -0.856 4.005 1.353 1.00 0.00 C ATOM 102 CG PRO A 310 -0.844 4.729 2.661 1.00 0.00 C ATOM 103 CD PRO A 310 -2.188 4.500 3.292 1.00 0.00 C ATOM 0 HA PRO A 310 -2.579 4.433 0.055 1.00 0.00 H new ATOM 0 HB2 PRO A 310 -0.383 3.027 1.445 1.00 0.00 H new ATOM 0 HB3 PRO A 310 -0.299 4.558 0.597 1.00 0.00 H new ATOM 0 HG2 PRO A 310 -0.046 4.356 3.303 1.00 0.00 H new ATOM 0 HG3 PRO A 310 -0.662 5.793 2.513 1.00 0.00 H new ATOM 0 HD2 PRO A 310 -2.195 3.605 3.914 1.00 0.00 H new ATOM 0 HD3 PRO A 310 -2.482 5.334 3.930 1.00 0.00 H new ATOM 111 N ALA A 311 -2.314 2.023 -0.641 1.00 0.00 N ATOM 112 CA ALA A 311 -2.634 0.696 -1.202 1.00 0.00 C ATOM 113 C ALA A 311 -1.518 -0.257 -0.891 1.00 0.00 C ATOM 114 O ALA A 311 -1.681 -1.472 -0.755 1.00 0.00 O ATOM 115 CB ALA A 311 -2.878 0.784 -2.703 1.00 0.00 C ATOM 0 H ALA A 311 -1.778 2.616 -1.274 1.00 0.00 H new ATOM 0 HA ALA A 311 -3.552 0.327 -0.745 1.00 0.00 H new ATOM 0 HB1 ALA A 311 -3.112 -0.207 -3.092 1.00 0.00 H new ATOM 0 HB2 ALA A 311 -3.714 1.457 -2.897 1.00 0.00 H new ATOM 0 HB3 ALA A 311 -1.983 1.165 -3.195 1.00 0.00 H new ATOM 121 N TRP A 312 -0.378 0.386 -0.792 1.00 0.00 N ATOM 122 CA TRP A 312 0.907 -0.209 -0.503 1.00 0.00 C ATOM 123 C TRP A 312 1.017 -0.469 0.994 1.00 0.00 C ATOM 124 O TRP A 312 1.924 -1.144 1.486 1.00 0.00 O ATOM 125 CB TRP A 312 1.950 0.796 -1.034 1.00 0.00 C ATOM 126 CG TRP A 312 2.108 2.097 -0.258 1.00 0.00 C ATOM 127 CD1 TRP A 312 1.772 3.337 -0.723 1.00 0.00 C ATOM 128 CD2 TRP A 312 2.632 2.303 1.072 1.00 0.00 C ATOM 129 NE1 TRP A 312 2.035 4.291 0.225 1.00 0.00 N ATOM 130 CE2 TRP A 312 2.556 3.686 1.336 1.00 0.00 C ATOM 131 CE3 TRP A 312 3.144 1.463 2.069 1.00 0.00 C ATOM 132 CZ2 TRP A 312 2.968 4.239 2.543 1.00 0.00 C ATOM 133 CZ3 TRP A 312 3.549 2.015 3.267 1.00 0.00 C ATOM 134 CH2 TRP A 312 3.457 3.390 3.494 1.00 0.00 C ATOM 0 H TRP A 312 -0.319 1.396 -0.918 1.00 0.00 H new ATOM 0 HA TRP A 312 1.060 -1.178 -0.979 1.00 0.00 H new ATOM 0 HB2 TRP A 312 2.919 0.297 -1.062 1.00 0.00 H new ATOM 0 HB3 TRP A 312 1.690 1.044 -2.063 1.00 0.00 H new ATOM 0 HD1 TRP A 312 1.358 3.537 -1.700 1.00 0.00 H new ATOM 0 HE1 TRP A 312 1.869 5.292 0.119 1.00 0.00 H new ATOM 0 HE3 TRP A 312 3.221 0.399 1.903 1.00 0.00 H new ATOM 0 HZ2 TRP A 312 2.904 5.302 2.722 1.00 0.00 H new ATOM 0 HZ3 TRP A 312 3.943 1.374 4.041 1.00 0.00 H new ATOM 0 HH2 TRP A 312 3.780 3.791 4.443 1.00 0.00 H new ATOM 145 N ALA A 313 0.025 0.085 1.664 1.00 0.00 N ATOM 146 CA ALA A 313 -0.146 0.052 3.098 1.00 0.00 C ATOM 147 C ALA A 313 -0.877 -1.221 3.569 1.00 0.00 C ATOM 148 O ALA A 313 -1.545 -1.227 4.610 1.00 0.00 O ATOM 149 CB ALA A 313 -0.924 1.311 3.439 1.00 0.00 C ATOM 0 H ALA A 313 -0.722 0.597 1.194 1.00 0.00 H new ATOM 0 HA ALA A 313 0.816 0.023 3.611 1.00 0.00 H new ATOM 0 HB1 ALA A 313 -1.092 1.355 4.515 1.00 0.00 H new ATOM 0 HB2 ALA A 313 -0.355 2.186 3.125 1.00 0.00 H new ATOM 0 HB3 ALA A 313 -1.884 1.297 2.922 1.00 0.00 H new ATOM 155 N ARG A 314 -0.715 -2.301 2.794 1.00 0.00 N ATOM 156 CA ARG A 314 -1.337 -3.585 3.086 1.00 0.00 C ATOM 157 C ARG A 314 -0.284 -4.709 3.039 1.00 0.00 C ATOM 158 O ARG A 314 0.189 -5.063 1.954 1.00 0.00 O ATOM 159 CB ARG A 314 -2.478 -3.870 2.098 1.00 0.00 C ATOM 160 CG ARG A 314 -3.741 -3.061 2.370 1.00 0.00 C ATOM 161 CD ARG A 314 -4.861 -3.416 1.401 1.00 0.00 C ATOM 162 NE ARG A 314 -4.641 -2.847 0.064 1.00 0.00 N ATOM 163 CZ ARG A 314 -5.592 -2.694 -0.869 1.00 0.00 C ATOM 164 NH1 ARG A 314 -6.852 -3.063 -0.636 1.00 0.00 N1+ ATOM 165 NH2 ARG A 314 -5.279 -2.163 -2.042 1.00 0.00 N ATOM 0 H ARG A 314 -0.147 -2.302 1.947 1.00 0.00 H new ATOM 0 HA ARG A 314 -1.759 -3.547 4.090 1.00 0.00 H new ATOM 0 HB2 ARG A 314 -2.132 -3.658 1.086 1.00 0.00 H new ATOM 0 HB3 ARG A 314 -2.722 -4.932 2.135 1.00 0.00 H new ATOM 0 HG2 ARG A 314 -4.074 -3.241 3.392 1.00 0.00 H new ATOM 0 HG3 ARG A 314 -3.515 -1.998 2.291 1.00 0.00 H new ATOM 0 HD2 ARG A 314 -4.942 -4.500 1.324 1.00 0.00 H new ATOM 0 HD3 ARG A 314 -5.810 -3.053 1.797 1.00 0.00 H new ATOM 0 HE ARG A 314 -3.695 -2.546 -0.172 1.00 0.00 H new ATOM 0 HH11 ARG A 314 -7.106 -3.469 0.264 1.00 0.00 H new ATOM 0 HH12 ARG A 314 -7.562 -2.939 -1.358 1.00 0.00 H new ATOM 0 HH21 ARG A 314 -4.319 -1.873 -2.231 1.00 0.00 H new ATOM 0 HH22 ARG A 314 -5.998 -2.044 -2.756 1.00 0.00 H new ATOM 179 N PRO A 315 0.129 -5.272 4.221 1.00 0.00 N ATOM 180 CA PRO A 315 1.133 -6.368 4.309 1.00 0.00 C ATOM 181 C PRO A 315 0.851 -7.570 3.410 1.00 0.00 C ATOM 182 O PRO A 315 1.766 -8.296 3.009 1.00 0.00 O ATOM 183 CB PRO A 315 1.079 -6.806 5.782 1.00 0.00 C ATOM 184 CG PRO A 315 -0.089 -6.094 6.383 1.00 0.00 C ATOM 185 CD PRO A 315 -0.294 -4.853 5.569 1.00 0.00 C ATOM 0 HA PRO A 315 2.103 -6.004 3.972 1.00 0.00 H new ATOM 0 HB2 PRO A 315 0.961 -7.887 5.863 1.00 0.00 H new ATOM 0 HB3 PRO A 315 2.002 -6.547 6.300 1.00 0.00 H new ATOM 0 HG2 PRO A 315 -0.979 -6.723 6.363 1.00 0.00 H new ATOM 0 HG3 PRO A 315 0.103 -5.846 7.427 1.00 0.00 H new ATOM 0 HD2 PRO A 315 -1.334 -4.527 5.583 1.00 0.00 H new ATOM 0 HD3 PRO A 315 0.305 -4.022 5.941 1.00 0.00 H new ATOM 193 N ASP A 316 -0.420 -7.748 3.112 1.00 0.00 N ATOM 194 CA ASP A 316 -0.904 -8.845 2.253 1.00 0.00 C ATOM 195 C ASP A 316 -0.696 -8.534 0.758 1.00 0.00 C ATOM 196 O ASP A 316 -0.958 -9.381 -0.102 1.00 0.00 O ATOM 197 CB ASP A 316 -2.390 -9.113 2.528 1.00 0.00 C ATOM 198 CG ASP A 316 -2.626 -9.752 3.883 1.00 0.00 C ATOM 199 OD1 ASP A 316 -2.825 -9.005 4.865 1.00 0.00 O ATOM 200 OD2 ASP A 316 -2.612 -10.998 3.964 1.00 0.00 O1- ATOM 0 H ASP A 316 -1.163 -7.139 3.454 1.00 0.00 H new ATOM 0 HA ASP A 316 -0.321 -9.734 2.494 1.00 0.00 H new ATOM 0 HB2 ASP A 316 -2.941 -8.174 2.472 1.00 0.00 H new ATOM 0 HB3 ASP A 316 -2.788 -9.763 1.749 1.00 0.00 H new ATOM 205 N TYR A 317 -0.213 -7.318 0.473 1.00 0.00 N ATOM 206 CA TYR A 317 0.046 -6.867 -0.890 1.00 0.00 C ATOM 207 C TYR A 317 1.522 -6.497 -1.048 1.00 0.00 C ATOM 208 O TYR A 317 2.062 -5.718 -0.256 1.00 0.00 O ATOM 209 CB TYR A 317 -0.855 -5.666 -1.224 1.00 0.00 C ATOM 210 CG TYR A 317 -0.861 -5.266 -2.689 1.00 0.00 C ATOM 211 CD1 TYR A 317 -1.716 -5.878 -3.596 1.00 0.00 C ATOM 212 CD2 TYR A 317 -0.007 -4.274 -3.156 1.00 0.00 C ATOM 213 CE1 TYR A 317 -1.720 -5.511 -4.929 1.00 0.00 C ATOM 214 CE2 TYR A 317 -0.007 -3.902 -4.487 1.00 0.00 C ATOM 215 CZ TYR A 317 -0.864 -4.524 -5.369 1.00 0.00 C ATOM 216 OH TYR A 317 -0.867 -4.157 -6.696 1.00 0.00 O ATOM 0 H TYR A 317 0.008 -6.622 1.186 1.00 0.00 H new ATOM 0 HA TYR A 317 -0.182 -7.675 -1.585 1.00 0.00 H new ATOM 0 HB2 TYR A 317 -1.876 -5.899 -0.921 1.00 0.00 H new ATOM 0 HB3 TYR A 317 -0.533 -4.811 -0.629 1.00 0.00 H new ATOM 0 HD1 TYR A 317 -2.388 -6.652 -3.255 1.00 0.00 H new ATOM 0 HD2 TYR A 317 0.667 -3.786 -2.468 1.00 0.00 H new ATOM 0 HE1 TYR A 317 -2.391 -5.996 -5.623 1.00 0.00 H new ATOM 0 HE2 TYR A 317 0.661 -3.128 -4.834 1.00 0.00 H new ATOM 0 HH TYR A 317 -0.206 -3.448 -6.841 1.00 0.00 H new ATOM 226 N ASN A 318 2.161 -7.065 -2.074 1.00 0.00 N ATOM 227 CA ASN A 318 3.577 -6.812 -2.355 1.00 0.00 C ATOM 228 C ASN A 318 3.746 -5.663 -3.364 1.00 0.00 C ATOM 229 O ASN A 318 2.870 -5.466 -4.211 1.00 0.00 O ATOM 230 CB ASN A 318 4.250 -8.077 -2.893 1.00 0.00 C ATOM 231 CG ASN A 318 4.398 -9.158 -1.836 1.00 0.00 C ATOM 232 OD1 ASN A 318 3.515 -9.999 -1.664 1.00 0.00 O ATOM 233 ND2 ASN A 318 5.516 -9.137 -1.121 1.00 0.00 N ATOM 0 H ASN A 318 1.716 -7.708 -2.729 1.00 0.00 H new ATOM 0 HA ASN A 318 4.055 -6.523 -1.419 1.00 0.00 H new ATOM 0 HB2 ASN A 318 3.666 -8.467 -3.727 1.00 0.00 H new ATOM 0 HB3 ASN A 318 5.234 -7.821 -3.285 1.00 0.00 H new ATOM 0 HD21 ASN A 318 5.670 -9.836 -0.395 1.00 0.00 H new ATOM 0 HD22 ASN A 318 6.221 -8.421 -1.298 1.00 0.00 H new ATOM 240 N PRO A 319 4.875 -4.880 -3.304 1.00 0.00 N ATOM 241 CA PRO A 319 5.119 -3.762 -4.237 1.00 0.00 C ATOM 242 C PRO A 319 5.534 -4.237 -5.644 1.00 0.00 C ATOM 243 O PRO A 319 5.965 -5.384 -5.793 1.00 0.00 O ATOM 244 CB PRO A 319 6.277 -2.977 -3.594 1.00 0.00 C ATOM 245 CG PRO A 319 6.500 -3.591 -2.250 1.00 0.00 C ATOM 246 CD PRO A 319 5.987 -4.998 -2.336 1.00 0.00 C ATOM 0 HA PRO A 319 4.213 -3.174 -4.382 1.00 0.00 H new ATOM 0 HB2 PRO A 319 7.177 -3.040 -4.205 1.00 0.00 H new ATOM 0 HB3 PRO A 319 6.027 -1.920 -3.503 1.00 0.00 H new ATOM 0 HG2 PRO A 319 7.558 -3.579 -1.988 1.00 0.00 H new ATOM 0 HG3 PRO A 319 5.974 -3.033 -1.476 1.00 0.00 H new ATOM 0 HD2 PRO A 319 6.755 -5.689 -2.684 1.00 0.00 H new ATOM 0 HD3 PRO A 319 5.644 -5.364 -1.368 1.00 0.00 H new ATOM 254 N PRO A 320 5.416 -3.368 -6.702 1.00 0.00 N ATOM 255 CA PRO A 320 5.799 -3.734 -8.080 1.00 0.00 C ATOM 256 C PRO A 320 7.316 -3.880 -8.248 1.00 0.00 C ATOM 257 O PRO A 320 8.064 -2.896 -8.190 1.00 0.00 O ATOM 258 CB PRO A 320 5.273 -2.572 -8.945 1.00 0.00 C ATOM 259 CG PRO A 320 4.390 -1.767 -8.053 1.00 0.00 C ATOM 260 CD PRO A 320 4.887 -1.989 -6.655 1.00 0.00 C ATOM 0 HA PRO A 320 5.384 -4.702 -8.360 1.00 0.00 H new ATOM 0 HB2 PRO A 320 6.095 -1.968 -9.330 1.00 0.00 H new ATOM 0 HB3 PRO A 320 4.721 -2.946 -9.807 1.00 0.00 H new ATOM 0 HG2 PRO A 320 4.431 -0.710 -8.317 1.00 0.00 H new ATOM 0 HG3 PRO A 320 3.350 -2.080 -8.150 1.00 0.00 H new ATOM 0 HD2 PRO A 320 5.660 -1.270 -6.383 1.00 0.00 H new ATOM 0 HD3 PRO A 320 4.086 -1.889 -5.922 1.00 0.00 H new ATOM 268 N LEU A 321 7.757 -5.138 -8.436 1.00 0.00 N ATOM 269 CA LEU A 321 9.187 -5.499 -8.622 1.00 0.00 C ATOM 270 C LEU A 321 10.035 -5.184 -7.384 1.00 0.00 C ATOM 271 O LEU A 321 9.759 -4.224 -6.657 1.00 0.00 O ATOM 272 CB LEU A 321 9.794 -4.808 -9.861 1.00 0.00 C ATOM 273 CG LEU A 321 9.219 -5.246 -11.214 1.00 0.00 C ATOM 274 CD1 LEU A 321 7.980 -4.433 -11.570 1.00 0.00 C ATOM 275 CD2 LEU A 321 10.273 -5.118 -12.304 1.00 0.00 C ATOM 0 H LEU A 321 7.131 -5.943 -8.464 1.00 0.00 H new ATOM 0 HA LEU A 321 9.206 -6.578 -8.778 1.00 0.00 H new ATOM 0 HB2 LEU A 321 9.655 -3.732 -9.759 1.00 0.00 H new ATOM 0 HB3 LEU A 321 10.868 -4.991 -9.867 1.00 0.00 H new ATOM 0 HG LEU A 321 8.924 -6.292 -11.135 1.00 0.00 H new ATOM 0 HD11 LEU A 321 7.592 -4.764 -12.534 1.00 0.00 H new ATOM 0 HD12 LEU A 321 7.218 -4.577 -10.804 1.00 0.00 H new ATOM 0 HD13 LEU A 321 8.242 -3.377 -11.628 1.00 0.00 H new ATOM 0 HD21 LEU A 321 9.850 -5.432 -13.258 1.00 0.00 H new ATOM 0 HD22 LEU A 321 10.598 -4.080 -12.376 1.00 0.00 H new ATOM 0 HD23 LEU A 321 11.127 -5.750 -12.060 1.00 0.00 H new ATOM 287 N VAL A 322 11.067 -6.005 -7.160 1.00 0.00 N ATOM 288 CA VAL A 322 11.972 -5.834 -6.018 1.00 0.00 C ATOM 289 C VAL A 322 13.436 -5.969 -6.443 1.00 0.00 C ATOM 290 O VAL A 322 13.837 -7.001 -6.989 1.00 0.00 O ATOM 291 CB VAL A 322 11.666 -6.832 -4.859 1.00 0.00 C ATOM 292 CG1 VAL A 322 10.435 -6.384 -4.084 1.00 0.00 C ATOM 293 CG2 VAL A 322 11.483 -8.270 -5.355 1.00 0.00 C ATOM 0 H VAL A 322 11.297 -6.799 -7.758 1.00 0.00 H new ATOM 0 HA VAL A 322 11.800 -4.825 -5.644 1.00 0.00 H new ATOM 0 HB VAL A 322 12.533 -6.827 -4.199 1.00 0.00 H new ATOM 0 HG11 VAL A 322 10.235 -7.091 -3.279 1.00 0.00 H new ATOM 0 HG12 VAL A 322 10.611 -5.394 -3.663 1.00 0.00 H new ATOM 0 HG13 VAL A 322 9.577 -6.346 -4.755 1.00 0.00 H new ATOM 0 HG21 VAL A 322 11.272 -8.923 -4.508 1.00 0.00 H new ATOM 0 HG22 VAL A 322 10.652 -8.309 -6.059 1.00 0.00 H new ATOM 0 HG23 VAL A 322 12.395 -8.602 -5.851 1.00 0.00 H new ATOM 303 N GLU A 323 14.217 -4.916 -6.186 1.00 0.00 N ATOM 304 CA GLU A 323 15.640 -4.897 -6.534 1.00 0.00 C ATOM 305 C GLU A 323 16.491 -4.510 -5.324 1.00 0.00 C ATOM 306 O GLU A 323 16.298 -3.395 -4.792 1.00 0.00 O ATOM 307 CB GLU A 323 15.900 -3.927 -7.697 1.00 0.00 C ATOM 308 CG GLU A 323 15.410 -4.439 -9.045 1.00 0.00 C ATOM 309 CD GLU A 323 15.685 -3.463 -10.172 1.00 0.00 C ATOM 310 OE1 GLU A 323 16.767 -3.560 -10.789 1.00 0.00 O ATOM 311 OE2 GLU A 323 14.818 -2.605 -10.439 1.00 0.00 O1- ATOM 312 OXT GLU A 323 17.343 -5.330 -4.921 1.00 0.00 O1- ATOM 0 H GLU A 323 13.886 -4.062 -5.736 1.00 0.00 H new ATOM 0 HA GLU A 323 15.923 -5.902 -6.848 1.00 0.00 H new ATOM 0 HB2 GLU A 323 15.413 -2.976 -7.481 1.00 0.00 H new ATOM 0 HB3 GLU A 323 16.970 -3.729 -7.761 1.00 0.00 H new ATOM 0 HG2 GLU A 323 15.894 -5.390 -9.266 1.00 0.00 H new ATOM 0 HG3 GLU A 323 14.339 -4.632 -8.989 1.00 0.00 H new TER 319 GLU A 323