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= -0.004 X(o=-0.004,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 304 -14.522 4.703 -6.401 1.00 0.00 N ATOM 2 CA GLY A 304 -14.275 5.956 -5.634 1.00 0.00 C ATOM 3 C GLY A 304 -13.031 6.685 -6.099 1.00 0.00 C ATOM 4 O GLY A 304 -12.072 6.055 -6.554 1.00 0.00 O ATOM 0 HA2 GLY A 304 -15.137 6.615 -5.734 1.00 0.00 H new ATOM 0 HA3 GLY A 304 -14.178 5.717 -4.575 1.00 0.00 H new ATOM 10 N PHE A 305 -13.053 8.016 -5.979 1.00 0.00 N ATOM 11 CA PHE A 305 -11.923 8.857 -6.386 1.00 0.00 C ATOM 12 C PHE A 305 -11.008 9.221 -5.197 1.00 0.00 C ATOM 13 O PHE A 305 -9.784 9.144 -5.347 1.00 0.00 O ATOM 14 CB PHE A 305 -12.414 10.128 -7.091 1.00 0.00 C ATOM 15 CG PHE A 305 -12.963 9.881 -8.469 1.00 0.00 C ATOM 16 CD1 PHE A 305 -14.309 9.604 -8.655 1.00 0.00 C ATOM 17 CD2 PHE A 305 -12.133 9.929 -9.578 1.00 0.00 C ATOM 18 CE1 PHE A 305 -14.815 9.377 -9.921 1.00 0.00 C ATOM 19 CE2 PHE A 305 -12.634 9.703 -10.846 1.00 0.00 C ATOM 20 CZ PHE A 305 -13.977 9.427 -11.017 1.00 0.00 C ATOM 0 H PHE A 305 -13.845 8.536 -5.601 1.00 0.00 H new ATOM 0 HA PHE A 305 -11.329 8.272 -7.088 1.00 0.00 H new ATOM 0 HB2 PHE A 305 -13.186 10.596 -6.480 1.00 0.00 H new ATOM 0 HB3 PHE A 305 -11.589 10.837 -7.160 1.00 0.00 H new ATOM 0 HD1 PHE A 305 -14.969 9.565 -7.801 1.00 0.00 H new ATOM 0 HD2 PHE A 305 -11.083 10.145 -9.450 1.00 0.00 H new ATOM 0 HE1 PHE A 305 -15.865 9.161 -10.053 1.00 0.00 H new ATOM 0 HE2 PHE A 305 -11.977 9.742 -11.702 1.00 0.00 H new ATOM 0 HZ PHE A 305 -14.371 9.251 -12.007 1.00 0.00 H new ATOM 30 N PRO A 306 -11.551 9.626 -3.994 1.00 0.00 N ATOM 31 CA PRO A 306 -10.713 9.987 -2.831 1.00 0.00 C ATOM 32 C PRO A 306 -10.137 8.763 -2.115 1.00 0.00 C ATOM 33 O PRO A 306 -10.733 7.682 -2.142 1.00 0.00 O ATOM 34 CB PRO A 306 -11.675 10.741 -1.893 1.00 0.00 C ATOM 35 CG PRO A 306 -12.948 10.907 -2.660 1.00 0.00 C ATOM 36 CD PRO A 306 -12.982 9.785 -3.650 1.00 0.00 C ATOM 0 HA PRO A 306 -9.848 10.575 -3.138 1.00 0.00 H new ATOM 0 HB2 PRO A 306 -11.843 10.181 -0.973 1.00 0.00 H new ATOM 0 HB3 PRO A 306 -11.263 11.708 -1.606 1.00 0.00 H new ATOM 0 HG2 PRO A 306 -13.812 10.868 -1.996 1.00 0.00 H new ATOM 0 HG3 PRO A 306 -12.977 11.873 -3.164 1.00 0.00 H new ATOM 0 HD2 PRO A 306 -13.401 8.875 -3.220 1.00 0.00 H new ATOM 0 HD3 PRO A 306 -13.586 10.031 -4.524 1.00 0.00 H new ATOM 44 N ARG A 307 -8.975 8.950 -1.481 1.00 0.00 N ATOM 45 CA ARG A 307 -8.299 7.875 -0.752 1.00 0.00 C ATOM 46 C ARG A 307 -7.948 8.316 0.666 1.00 0.00 C ATOM 47 O ARG A 307 -7.467 9.434 0.873 1.00 0.00 O ATOM 48 CB ARG A 307 -7.029 7.438 -1.490 1.00 0.00 C ATOM 49 CG ARG A 307 -7.297 6.638 -2.757 1.00 0.00 C ATOM 50 CD ARG A 307 -6.002 6.250 -3.454 1.00 0.00 C ATOM 51 NE ARG A 307 -6.247 5.483 -4.680 1.00 0.00 N ATOM 52 CZ ARG A 307 -5.291 5.047 -5.512 1.00 0.00 C ATOM 53 NH1 ARG A 307 -4.003 5.289 -5.270 1.00 0.00 N1+ ATOM 54 NH2 ARG A 307 -5.628 4.363 -6.597 1.00 0.00 N ATOM 0 H ARG A 307 -8.481 9.842 -1.459 1.00 0.00 H new ATOM 0 HA ARG A 307 -8.984 7.029 -0.694 1.00 0.00 H new ATOM 0 HB2 ARG A 307 -6.447 8.323 -1.747 1.00 0.00 H new ATOM 0 HB3 ARG A 307 -6.417 6.839 -0.816 1.00 0.00 H new ATOM 0 HG2 ARG A 307 -7.862 5.739 -2.509 1.00 0.00 H new ATOM 0 HG3 ARG A 307 -7.915 7.225 -3.436 1.00 0.00 H new ATOM 0 HD2 ARG A 307 -5.437 7.150 -3.696 1.00 0.00 H new ATOM 0 HD3 ARG A 307 -5.387 5.660 -2.774 1.00 0.00 H new ATOM 0 HE ARG A 307 -7.215 5.266 -4.917 1.00 0.00 H new ATOM 0 HH11 ARG A 307 -3.730 5.814 -4.439 1.00 0.00 H new ATOM 0 HH12 ARG A 307 -3.290 4.949 -5.915 1.00 0.00 H new ATOM 0 HH21 ARG A 307 -6.610 4.171 -6.794 1.00 0.00 H new ATOM 0 HH22 ARG A 307 -4.905 4.029 -7.234 1.00 0.00 H new ATOM 68 N ALA A 308 -8.194 7.425 1.631 1.00 0.00 N ATOM 69 CA ALA A 308 -7.909 7.700 3.041 1.00 0.00 C ATOM 70 C ALA A 308 -6.586 7.066 3.476 1.00 0.00 C ATOM 71 O ALA A 308 -5.795 7.696 4.184 1.00 0.00 O ATOM 72 CB ALA A 308 -9.054 7.207 3.915 1.00 0.00 C ATOM 0 H ALA A 308 -8.592 6.502 1.459 1.00 0.00 H new ATOM 0 HA ALA A 308 -7.813 8.779 3.163 1.00 0.00 H new ATOM 0 HB1 ALA A 308 -8.830 7.417 4.961 1.00 0.00 H new ATOM 0 HB2 ALA A 308 -9.974 7.718 3.631 1.00 0.00 H new ATOM 0 HB3 ALA A 308 -9.179 6.133 3.780 1.00 0.00 H new ATOM 78 N LEU A 309 -6.355 5.819 3.046 1.00 0.00 N ATOM 79 CA LEU A 309 -5.131 5.088 3.378 1.00 0.00 C ATOM 80 C LEU A 309 -4.435 4.581 2.105 1.00 0.00 C ATOM 81 O LEU A 309 -5.102 4.392 1.084 1.00 0.00 O ATOM 82 CB LEU A 309 -5.445 3.907 4.306 1.00 0.00 C ATOM 83 CG LEU A 309 -5.839 4.279 5.742 1.00 0.00 C ATOM 84 CD1 LEU A 309 -7.335 4.555 5.845 1.00 0.00 C ATOM 85 CD2 LEU A 309 -5.435 3.173 6.705 1.00 0.00 C ATOM 0 H LEU A 309 -7.007 5.294 2.463 1.00 0.00 H new ATOM 0 HA LEU A 309 -4.459 5.774 3.893 1.00 0.00 H new ATOM 0 HB2 LEU A 309 -6.255 3.327 3.865 1.00 0.00 H new ATOM 0 HB3 LEU A 309 -4.571 3.256 4.345 1.00 0.00 H new ATOM 0 HG LEU A 309 -5.308 5.191 6.014 1.00 0.00 H new ATOM 0 HD11 LEU A 309 -7.587 4.816 6.873 1.00 0.00 H new ATOM 0 HD12 LEU A 309 -7.599 5.382 5.186 1.00 0.00 H new ATOM 0 HD13 LEU A 309 -7.890 3.665 5.550 1.00 0.00 H new ATOM 0 HD21 LEU A 309 -5.721 3.451 7.719 1.00 0.00 H new ATOM 0 HD22 LEU A 309 -5.938 2.247 6.427 1.00 0.00 H new ATOM 0 HD23 LEU A 309 -4.356 3.027 6.659 1.00 0.00 H new ATOM 97 N PRO A 310 -3.079 4.347 2.130 1.00 0.00 N ATOM 98 CA PRO A 310 -2.337 3.856 0.952 1.00 0.00 C ATOM 99 C PRO A 310 -2.689 2.403 0.586 1.00 0.00 C ATOM 100 O PRO A 310 -3.273 1.670 1.388 1.00 0.00 O ATOM 101 CB PRO A 310 -0.855 4.002 1.339 1.00 0.00 C ATOM 102 CG PRO A 310 -0.832 4.759 2.628 1.00 0.00 C ATOM 103 CD PRO A 310 -2.168 4.551 3.279 1.00 0.00 C ATOM 0 HA PRO A 310 -2.592 4.425 0.058 1.00 0.00 H new ATOM 0 HB2 PRO A 310 -0.385 3.025 1.453 1.00 0.00 H new ATOM 0 HB3 PRO A 310 -0.301 4.534 0.565 1.00 0.00 H new ATOM 0 HG2 PRO A 310 -0.029 4.401 3.272 1.00 0.00 H new ATOM 0 HG3 PRO A 310 -0.650 5.819 2.450 1.00 0.00 H new ATOM 0 HD2 PRO A 310 -2.161 3.688 3.945 1.00 0.00 H new ATOM 0 HD3 PRO A 310 -2.462 5.413 3.878 1.00 0.00 H new ATOM 111 N ALA A 311 -2.318 2.015 -0.644 1.00 0.00 N ATOM 112 CA ALA A 311 -2.636 0.688 -1.204 1.00 0.00 C ATOM 113 C ALA A 311 -1.516 -0.261 -0.896 1.00 0.00 C ATOM 114 O ALA A 311 -1.676 -1.476 -0.762 1.00 0.00 O ATOM 115 CB ALA A 311 -2.883 0.777 -2.704 1.00 0.00 C ATOM 0 H ALA A 311 -1.789 2.611 -1.280 1.00 0.00 H new ATOM 0 HA ALA A 311 -3.552 0.315 -0.746 1.00 0.00 H new ATOM 0 HB1 ALA A 311 -3.116 -0.214 -3.094 1.00 0.00 H new ATOM 0 HB2 ALA A 311 -3.720 1.448 -2.896 1.00 0.00 H new ATOM 0 HB3 ALA A 311 -1.990 1.161 -3.198 1.00 0.00 H new ATOM 121 N TRP A 312 -0.379 0.386 -0.794 1.00 0.00 N ATOM 122 CA TRP A 312 0.906 -0.205 -0.504 1.00 0.00 C ATOM 123 C TRP A 312 1.015 -0.463 0.994 1.00 0.00 C ATOM 124 O TRP A 312 1.915 -1.146 1.489 1.00 0.00 O ATOM 125 CB TRP A 312 1.949 0.799 -1.035 1.00 0.00 C ATOM 126 CG TRP A 312 2.110 2.098 -0.259 1.00 0.00 C ATOM 127 CD1 TRP A 312 1.777 3.340 -0.721 1.00 0.00 C ATOM 128 CD2 TRP A 312 2.635 2.302 1.073 1.00 0.00 C ATOM 129 NE1 TRP A 312 2.040 4.292 0.230 1.00 0.00 N ATOM 130 CE2 TRP A 312 2.561 3.685 1.338 1.00 0.00 C ATOM 131 CE3 TRP A 312 3.146 1.460 2.068 1.00 0.00 C ATOM 132 CZ2 TRP A 312 2.975 4.236 2.547 1.00 0.00 C ATOM 133 CZ3 TRP A 312 3.553 2.009 3.267 1.00 0.00 C ATOM 134 CH2 TRP A 312 3.463 3.385 3.497 1.00 0.00 C ATOM 0 H TRP A 312 -0.323 1.397 -0.918 1.00 0.00 H new ATOM 0 HA TRP A 312 1.060 -1.173 -0.980 1.00 0.00 H new ATOM 0 HB2 TRP A 312 2.917 0.299 -1.064 1.00 0.00 H new ATOM 0 HB3 TRP A 312 1.687 1.048 -2.063 1.00 0.00 H new ATOM 0 HD1 TRP A 312 1.364 3.543 -1.698 1.00 0.00 H new ATOM 0 HE1 TRP A 312 1.873 5.293 0.127 1.00 0.00 H new ATOM 0 HE3 TRP A 312 3.221 0.396 1.900 1.00 0.00 H new ATOM 0 HZ2 TRP A 312 2.913 5.299 2.728 1.00 0.00 H new ATOM 0 HZ3 TRP A 312 3.947 1.366 4.040 1.00 0.00 H new ATOM 0 HH2 TRP A 312 3.787 3.784 4.447 1.00 0.00 H new ATOM 145 N ALA A 313 0.027 0.105 1.660 1.00 0.00 N ATOM 146 CA ALA A 313 -0.147 0.078 3.097 1.00 0.00 C ATOM 147 C ALA A 313 -0.879 -1.193 3.570 1.00 0.00 C ATOM 148 O ALA A 313 -1.455 -1.225 4.666 1.00 0.00 O ATOM 149 CB ALA A 313 -0.925 1.338 3.433 1.00 0.00 C ATOM 0 H ALA A 313 -0.713 0.624 1.187 1.00 0.00 H new ATOM 0 HA ALA A 313 0.814 0.052 3.611 1.00 0.00 H new ATOM 0 HB1 ALA A 313 -1.094 1.385 4.509 1.00 0.00 H new ATOM 0 HB2 ALA A 313 -0.356 2.212 3.117 1.00 0.00 H new ATOM 0 HB3 ALA A 313 -1.884 1.322 2.915 1.00 0.00 H new ATOM 155 N ARG A 314 -0.826 -2.241 2.741 1.00 0.00 N ATOM 156 CA ARG A 314 -1.467 -3.515 3.030 1.00 0.00 C ATOM 157 C ARG A 314 -0.464 -4.669 2.842 1.00 0.00 C ATOM 158 O ARG A 314 -0.096 -4.986 1.706 1.00 0.00 O ATOM 159 CB ARG A 314 -2.698 -3.719 2.134 1.00 0.00 C ATOM 160 CG ARG A 314 -3.900 -2.879 2.541 1.00 0.00 C ATOM 161 CD ARG A 314 -5.107 -3.169 1.663 1.00 0.00 C ATOM 162 NE ARG A 314 -6.278 -2.380 2.062 1.00 0.00 N ATOM 163 CZ ARG A 314 -7.533 -2.618 1.655 1.00 0.00 C ATOM 164 NH1 ARG A 314 -7.811 -3.624 0.828 1.00 0.00 N1+ ATOM 165 NH2 ARG A 314 -8.517 -1.838 2.081 1.00 0.00 N ATOM 0 H ARG A 314 -0.333 -2.223 1.848 1.00 0.00 H new ATOM 0 HA ARG A 314 -1.800 -3.508 4.068 1.00 0.00 H new ATOM 0 HB2 ARG A 314 -2.431 -3.479 1.105 1.00 0.00 H new ATOM 0 HB3 ARG A 314 -2.979 -4.772 2.153 1.00 0.00 H new ATOM 0 HG2 ARG A 314 -4.150 -3.081 3.583 1.00 0.00 H new ATOM 0 HG3 ARG A 314 -3.645 -1.821 2.473 1.00 0.00 H new ATOM 0 HD2 ARG A 314 -4.860 -2.952 0.624 1.00 0.00 H new ATOM 0 HD3 ARG A 314 -5.349 -4.230 1.718 1.00 0.00 H new ATOM 0 HE ARG A 314 -6.126 -1.594 2.694 1.00 0.00 H new ATOM 0 HH11 ARG A 314 -7.062 -4.230 0.493 1.00 0.00 H new ATOM 0 HH12 ARG A 314 -8.773 -3.788 0.530 1.00 0.00 H new ATOM 0 HH21 ARG A 314 -8.316 -1.064 2.714 1.00 0.00 H new ATOM 0 HH22 ARG A 314 -9.475 -2.012 1.776 1.00 0.00 H new ATOM 179 N PRO A 315 0.030 -5.299 3.957 1.00 0.00 N ATOM 180 CA PRO A 315 0.995 -6.430 3.907 1.00 0.00 C ATOM 181 C PRO A 315 0.575 -7.585 3.000 1.00 0.00 C ATOM 182 O PRO A 315 1.413 -8.319 2.471 1.00 0.00 O ATOM 183 CB PRO A 315 1.073 -6.919 5.362 1.00 0.00 C ATOM 184 CG PRO A 315 -0.019 -6.211 6.094 1.00 0.00 C ATOM 185 CD PRO A 315 -0.258 -4.931 5.354 1.00 0.00 C ATOM 0 HA PRO A 315 1.942 -6.089 3.488 1.00 0.00 H new ATOM 0 HB2 PRO A 315 0.943 -8.000 5.418 1.00 0.00 H new ATOM 0 HB3 PRO A 315 2.046 -6.692 5.798 1.00 0.00 H new ATOM 0 HG2 PRO A 315 -0.924 -6.818 6.124 1.00 0.00 H new ATOM 0 HG3 PRO A 315 0.268 -6.015 7.127 1.00 0.00 H new ATOM 0 HD2 PRO A 315 -1.282 -4.579 5.476 1.00 0.00 H new ATOM 0 HD3 PRO A 315 0.397 -4.133 5.705 1.00 0.00 H new ATOM 193 N ASP A 316 -0.726 -7.717 2.843 1.00 0.00 N ATOM 194 CA ASP A 316 -1.340 -8.761 2.006 1.00 0.00 C ATOM 195 C ASP A 316 -1.379 -8.351 0.524 1.00 0.00 C ATOM 196 O ASP A 316 -1.723 -9.161 -0.343 1.00 0.00 O ATOM 197 CB ASP A 316 -2.757 -9.070 2.499 1.00 0.00 C ATOM 198 CG ASP A 316 -2.766 -9.794 3.833 1.00 0.00 C ATOM 199 OD1 ASP A 316 -2.740 -11.043 3.831 1.00 0.00 O ATOM 200 OD2 ASP A 316 -2.802 -9.111 4.878 1.00 0.00 O1- ATOM 0 H ASP A 316 -1.405 -7.103 3.292 1.00 0.00 H new ATOM 0 HA ASP A 316 -0.723 -9.656 2.091 1.00 0.00 H new ATOM 0 HB2 ASP A 316 -3.317 -8.139 2.591 1.00 0.00 H new ATOM 0 HB3 ASP A 316 -3.272 -9.679 1.756 1.00 0.00 H new ATOM 205 N TYR A 317 -1.017 -7.091 0.252 1.00 0.00 N ATOM 206 CA TYR A 317 -0.998 -6.547 -1.102 1.00 0.00 C ATOM 207 C TYR A 317 0.446 -6.416 -1.597 1.00 0.00 C ATOM 208 O TYR A 317 1.258 -5.704 -0.996 1.00 0.00 O ATOM 209 CB TYR A 317 -1.715 -5.183 -1.123 1.00 0.00 C ATOM 210 CG TYR A 317 -1.904 -4.583 -2.505 1.00 0.00 C ATOM 211 CD1 TYR A 317 -2.978 -4.949 -3.308 1.00 0.00 C ATOM 212 CD2 TYR A 317 -1.005 -3.646 -2.999 1.00 0.00 C ATOM 213 CE1 TYR A 317 -3.149 -4.398 -4.564 1.00 0.00 C ATOM 214 CE2 TYR A 317 -1.168 -3.092 -4.254 1.00 0.00 C ATOM 215 CZ TYR A 317 -2.242 -3.471 -5.032 1.00 0.00 C ATOM 216 OH TYR A 317 -2.409 -2.921 -6.282 1.00 0.00 O ATOM 0 H TYR A 317 -0.730 -6.424 0.968 1.00 0.00 H new ATOM 0 HA TYR A 317 -1.525 -7.225 -1.773 1.00 0.00 H new ATOM 0 HB2 TYR A 317 -2.693 -5.295 -0.654 1.00 0.00 H new ATOM 0 HB3 TYR A 317 -1.148 -4.481 -0.512 1.00 0.00 H new ATOM 0 HD1 TYR A 317 -3.690 -5.675 -2.945 1.00 0.00 H new ATOM 0 HD2 TYR A 317 -0.164 -3.346 -2.391 1.00 0.00 H new ATOM 0 HE1 TYR A 317 -3.989 -4.692 -5.176 1.00 0.00 H new ATOM 0 HE2 TYR A 317 -0.459 -2.366 -4.624 1.00 0.00 H new ATOM 0 HH TYR A 317 -1.685 -2.285 -6.459 1.00 0.00 H new ATOM 226 N ASN A 318 0.748 -7.116 -2.692 1.00 0.00 N ATOM 227 CA ASN A 318 2.081 -7.093 -3.291 1.00 0.00 C ATOM 228 C ASN A 318 2.053 -6.331 -4.630 1.00 0.00 C ATOM 229 O ASN A 318 1.075 -6.455 -5.372 1.00 0.00 O ATOM 230 CB ASN A 318 2.583 -8.526 -3.509 1.00 0.00 C ATOM 231 CG ASN A 318 4.099 -8.623 -3.524 1.00 0.00 C ATOM 232 OD1 ASN A 318 4.731 -8.502 -4.573 1.00 0.00 O ATOM 233 ND2 ASN A 318 4.689 -8.845 -2.354 1.00 0.00 N ATOM 0 H ASN A 318 0.081 -7.710 -3.184 1.00 0.00 H new ATOM 0 HA ASN A 318 2.762 -6.579 -2.612 1.00 0.00 H new ATOM 0 HB2 ASN A 318 2.190 -9.168 -2.720 1.00 0.00 H new ATOM 0 HB3 ASN A 318 2.190 -8.904 -4.453 1.00 0.00 H new ATOM 0 HD21 ASN A 318 5.705 -8.921 -2.301 1.00 0.00 H new ATOM 0 HD22 ASN A 318 4.126 -8.939 -1.509 1.00 0.00 H new ATOM 240 N PRO A 319 3.114 -5.524 -4.971 1.00 0.00 N ATOM 241 CA PRO A 319 3.157 -4.765 -6.239 1.00 0.00 C ATOM 242 C PRO A 319 3.449 -5.661 -7.460 1.00 0.00 C ATOM 243 O PRO A 319 3.960 -6.772 -7.288 1.00 0.00 O ATOM 244 CB PRO A 319 4.310 -3.763 -6.042 1.00 0.00 C ATOM 245 CG PRO A 319 4.722 -3.884 -4.611 1.00 0.00 C ATOM 246 CD PRO A 319 4.334 -5.267 -4.176 1.00 0.00 C ATOM 0 HA PRO A 319 2.195 -4.295 -6.444 1.00 0.00 H new ATOM 0 HB2 PRO A 319 5.142 -3.990 -6.708 1.00 0.00 H new ATOM 0 HB3 PRO A 319 3.987 -2.747 -6.270 1.00 0.00 H new ATOM 0 HG2 PRO A 319 5.795 -3.729 -4.501 1.00 0.00 H new ATOM 0 HG3 PRO A 319 4.226 -3.131 -3.999 1.00 0.00 H new ATOM 0 HD2 PRO A 319 5.118 -5.994 -4.389 1.00 0.00 H new ATOM 0 HD3 PRO A 319 4.138 -5.315 -3.105 1.00 0.00 H new ATOM 254 N PRO A 320 3.133 -5.201 -8.716 1.00 0.00 N ATOM 255 CA PRO A 320 3.386 -5.986 -9.940 1.00 0.00 C ATOM 256 C PRO A 320 4.880 -6.136 -10.247 1.00 0.00 C ATOM 257 O PRO A 320 5.562 -5.163 -10.596 1.00 0.00 O ATOM 258 CB PRO A 320 2.686 -5.187 -11.056 1.00 0.00 C ATOM 259 CG PRO A 320 1.831 -4.184 -10.361 1.00 0.00 C ATOM 260 CD PRO A 320 2.496 -3.908 -9.046 1.00 0.00 C ATOM 0 HA PRO A 320 3.013 -7.005 -9.838 1.00 0.00 H new ATOM 0 HB2 PRO A 320 3.414 -4.699 -11.703 1.00 0.00 H new ATOM 0 HB3 PRO A 320 2.086 -5.841 -11.688 1.00 0.00 H new ATOM 0 HG2 PRO A 320 1.742 -3.272 -10.951 1.00 0.00 H new ATOM 0 HG3 PRO A 320 0.822 -4.568 -10.214 1.00 0.00 H new ATOM 0 HD2 PRO A 320 3.230 -3.106 -9.125 1.00 0.00 H new ATOM 0 HD3 PRO A 320 1.776 -3.607 -8.285 1.00 0.00 H new ATOM 268 N LEU A 321 5.374 -7.363 -10.088 1.00 0.00 N ATOM 269 CA LEU A 321 6.780 -7.682 -10.341 1.00 0.00 C ATOM 270 C LEU A 321 6.955 -8.323 -11.714 1.00 0.00 C ATOM 271 O LEU A 321 6.112 -9.113 -12.149 1.00 0.00 O ATOM 272 CB LEU A 321 7.323 -8.620 -9.254 1.00 0.00 C ATOM 273 CG LEU A 321 7.456 -8.006 -7.853 1.00 0.00 C ATOM 274 CD1 LEU A 321 7.332 -9.085 -6.788 1.00 0.00 C ATOM 275 CD2 LEU A 321 8.785 -7.272 -7.706 1.00 0.00 C ATOM 0 H LEU A 321 4.816 -8.160 -9.782 1.00 0.00 H new ATOM 0 HA LEU A 321 7.344 -6.750 -10.319 1.00 0.00 H new ATOM 0 HB2 LEU A 321 6.668 -9.489 -9.189 1.00 0.00 H new ATOM 0 HB3 LEU A 321 8.303 -8.981 -9.567 1.00 0.00 H new ATOM 0 HG LEU A 321 6.649 -7.285 -7.720 1.00 0.00 H new ATOM 0 HD11 LEU A 321 7.428 -8.634 -5.800 1.00 0.00 H new ATOM 0 HD12 LEU A 321 6.359 -9.569 -6.872 1.00 0.00 H new ATOM 0 HD13 LEU A 321 8.119 -9.826 -6.927 1.00 0.00 H new ATOM 0 HD21 LEU A 321 8.856 -6.845 -6.705 1.00 0.00 H new ATOM 0 HD22 LEU A 321 9.606 -7.972 -7.862 1.00 0.00 H new ATOM 0 HD23 LEU A 321 8.843 -6.474 -8.446 1.00 0.00 H new ATOM 287 N VAL A 322 8.056 -7.972 -12.384 1.00 0.00 N ATOM 288 CA VAL A 322 8.364 -8.503 -13.718 1.00 0.00 C ATOM 289 C VAL A 322 9.630 -9.363 -13.692 1.00 0.00 C ATOM 290 O VAL A 322 10.716 -8.873 -13.367 1.00 0.00 O ATOM 291 CB VAL A 322 8.509 -7.379 -14.790 1.00 0.00 C ATOM 292 CG1 VAL A 322 7.138 -6.861 -15.202 1.00 0.00 C ATOM 293 CG2 VAL A 322 9.389 -6.221 -14.311 1.00 0.00 C ATOM 0 H VAL A 322 8.753 -7.320 -12.024 1.00 0.00 H new ATOM 0 HA VAL A 322 7.515 -9.125 -14.003 1.00 0.00 H new ATOM 0 HB VAL A 322 9.005 -7.824 -15.653 1.00 0.00 H new ATOM 0 HG11 VAL A 322 7.255 -6.077 -15.950 1.00 0.00 H new ATOM 0 HG12 VAL A 322 6.551 -7.678 -15.621 1.00 0.00 H new ATOM 0 HG13 VAL A 322 6.625 -6.456 -14.330 1.00 0.00 H new ATOM 0 HG21 VAL A 322 9.456 -5.467 -15.095 1.00 0.00 H new ATOM 0 HG22 VAL A 322 8.951 -5.777 -13.417 1.00 0.00 H new ATOM 0 HG23 VAL A 322 10.387 -6.594 -14.079 1.00 0.00 H new ATOM 303 N GLU A 323 9.472 -10.655 -14.049 1.00 0.00 N ATOM 304 CA GLU A 323 10.579 -11.645 -14.086 1.00 0.00 C ATOM 305 C GLU A 323 11.201 -11.864 -12.701 1.00 0.00 C ATOM 306 O GLU A 323 11.826 -10.920 -12.168 1.00 0.00 O ATOM 307 CB GLU A 323 11.667 -11.250 -15.106 1.00 0.00 C ATOM 308 CG GLU A 323 11.227 -11.377 -16.557 1.00 0.00 C ATOM 309 CD GLU A 323 12.317 -10.983 -17.534 1.00 0.00 C ATOM 310 OE1 GLU A 323 12.389 -9.790 -17.896 1.00 0.00 O ATOM 311 OE2 GLU A 323 13.101 -11.869 -17.937 1.00 0.00 O1- ATOM 312 OXT GLU A 323 11.057 -12.981 -12.162 1.00 0.00 O1- ATOM 0 H GLU A 323 8.570 -11.046 -14.322 1.00 0.00 H new ATOM 0 HA GLU A 323 10.137 -12.588 -14.408 1.00 0.00 H new ATOM 0 HB2 GLU A 323 11.971 -10.220 -14.918 1.00 0.00 H new ATOM 0 HB3 GLU A 323 12.545 -11.876 -14.947 1.00 0.00 H new ATOM 0 HG2 GLU A 323 10.924 -12.406 -16.752 1.00 0.00 H new ATOM 0 HG3 GLU A 323 10.351 -10.750 -16.723 1.00 0.00 H new TER 319 GLU A 323