USER MOD reduce.3.24.130724 H: found=0, std=0, add=253, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 254 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 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00129) USER MOD Single : A 11 GLN : amide:sc= -0.67 K(o=-0.67,f=0) USER MOD Single : A 14 GLN : amide:sc= -0.406 X(o=-0.41,f=0) USER MOD Single : A 18 GLN : amide:sc= -0.0927 K(o=-0.093,f=-1.8) USER MOD Single : A 19 SER OG : rot 78:sc= 0.86 USER MOD Single : A 21 GLN : amide:sc= -0.155 K(o=-0.15,f=-2.1) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 GLN : amide:sc= -1.86 K(o=-1.9,f=-6.3!) USER MOD Single : A 31 GLN : amide:sc= -0.034 K(o=-0.034,f=-0.72) USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-2.3!) USER MOD Single : A 35 GLN : amide:sc= -0.328 X(o=-0.33,f=-0.16) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 93 N TYR A 7 0.512 0.394 -3.821 1.00 0.00 N ATOM 94 CA TYR A 7 1.109 -0.762 -4.436 1.00 0.00 C ATOM 95 C TYR A 7 2.216 -1.283 -3.546 1.00 0.00 C ATOM 96 O TYR A 7 2.451 -2.476 -3.470 1.00 0.00 O ATOM 97 CB TYR A 7 1.646 -0.415 -5.824 1.00 0.00 C ATOM 98 CG TYR A 7 1.916 -1.618 -6.688 1.00 0.00 C ATOM 99 CD1 TYR A 7 3.181 -2.163 -6.795 1.00 0.00 C ATOM 100 CD2 TYR A 7 0.884 -2.213 -7.399 1.00 0.00 C ATOM 101 CE1 TYR A 7 3.410 -3.270 -7.589 1.00 0.00 C ATOM 102 CE2 TYR A 7 1.099 -3.312 -8.189 1.00 0.00 C ATOM 103 CZ TYR A 7 2.361 -3.838 -8.284 1.00 0.00 C ATOM 104 OH TYR A 7 2.579 -4.943 -9.078 1.00 0.00 O ATOM 0 HA TYR A 7 0.353 -1.538 -4.557 1.00 0.00 H new ATOM 0 HB2 TYR A 7 0.929 0.231 -6.330 1.00 0.00 H new ATOM 0 HB3 TYR A 7 2.568 0.157 -5.715 1.00 0.00 H new ATOM 0 HD1 TYR A 7 4.001 -1.718 -6.251 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -0.112 -1.801 -7.328 1.00 0.00 H new ATOM 0 HE1 TYR A 7 4.403 -3.688 -7.666 1.00 0.00 H new ATOM 0 HE2 TYR A 7 0.280 -3.760 -8.732 1.00 0.00 H new ATOM 0 HH TYR A 7 1.736 -5.217 -9.495 1.00 0.00 H new ATOM 114 N LYS A 8 2.888 -0.372 -2.867 1.00 0.00 N ATOM 115 CA LYS A 8 3.926 -0.732 -1.925 1.00 0.00 C ATOM 116 C LYS A 8 3.320 -1.514 -0.770 1.00 0.00 C ATOM 117 O LYS A 8 3.872 -2.537 -0.349 1.00 0.00 O ATOM 118 CB LYS A 8 4.670 0.504 -1.424 1.00 0.00 C ATOM 119 CG LYS A 8 5.478 1.213 -2.504 1.00 0.00 C ATOM 120 CD LYS A 8 6.171 2.468 -1.985 1.00 0.00 C ATOM 121 CE LYS A 8 7.119 2.185 -0.821 1.00 0.00 C ATOM 122 NZ LYS A 8 8.228 1.270 -1.171 1.00 0.00 N ATOM 0 H LYS A 8 2.730 0.632 -2.953 1.00 0.00 H new ATOM 0 HA LYS A 8 4.656 -1.363 -2.432 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.949 1.205 -1.003 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.340 0.211 -0.615 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.226 0.527 -2.903 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.819 1.481 -3.330 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.730 2.931 -2.798 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.417 3.188 -1.666 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.535 3.127 -0.464 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.551 1.755 0.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.841 1.135 -0.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.840 0.352 -1.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.783 1.679 -1.949 1.00 0.00 H new ATOM 136 N ARG A 9 2.167 -1.038 -0.291 1.00 0.00 N ATOM 137 CA ARG A 9 1.395 -1.733 0.734 1.00 0.00 C ATOM 138 C ARG A 9 1.005 -3.104 0.241 1.00 0.00 C ATOM 139 O ARG A 9 1.166 -4.087 0.948 1.00 0.00 O ATOM 140 CB ARG A 9 0.129 -0.955 1.107 1.00 0.00 C ATOM 141 CG ARG A 9 0.371 0.300 1.917 1.00 0.00 C ATOM 142 CD ARG A 9 -0.935 1.000 2.270 1.00 0.00 C ATOM 143 NE ARG A 9 -1.861 0.147 3.056 1.00 0.00 N ATOM 144 CZ ARG A 9 -2.884 0.615 3.803 1.00 0.00 C ATOM 145 NH1 ARG A 9 -3.059 1.926 3.953 1.00 0.00 N ATOM 146 NH2 ARG A 9 -3.717 -0.230 4.406 1.00 0.00 N ATOM 0 H ARG A 9 1.747 -0.163 -0.604 1.00 0.00 H new ATOM 0 HA ARG A 9 2.023 -1.818 1.621 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -0.397 -0.684 0.192 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.532 -1.613 1.671 1.00 0.00 H new ATOM 0 HG2 ARG A 9 0.907 0.046 2.831 1.00 0.00 H new ATOM 0 HG3 ARG A 9 1.008 0.981 1.353 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.714 1.904 2.838 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.431 1.314 1.352 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.715 -0.862 3.030 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -2.419 2.581 3.503 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -3.833 2.276 4.518 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -3.584 -1.236 4.305 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -4.488 0.129 4.969 1.00 0.00 H new ATOM 160 N LEU A 10 0.521 -3.154 -0.990 1.00 0.00 N ATOM 161 CA LEU A 10 0.105 -4.393 -1.616 1.00 0.00 C ATOM 162 C LEU A 10 1.235 -5.420 -1.658 1.00 0.00 C ATOM 163 O LEU A 10 1.042 -6.578 -1.271 1.00 0.00 O ATOM 164 CB LEU A 10 -0.425 -4.130 -3.030 1.00 0.00 C ATOM 165 CG LEU A 10 -0.853 -5.367 -3.814 1.00 0.00 C ATOM 166 CD1 LEU A 10 -1.890 -6.153 -3.038 1.00 0.00 C ATOM 167 CD2 LEU A 10 -1.382 -4.972 -5.178 1.00 0.00 C ATOM 0 H LEU A 10 0.406 -2.332 -1.583 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.697 -4.810 -1.006 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.277 -3.454 -2.959 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.348 -3.611 -3.598 1.00 0.00 H new ATOM 0 HG LEU A 10 0.018 -6.006 -3.960 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.184 -7.032 -3.611 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.469 -6.467 -2.083 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.764 -5.526 -2.861 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.683 -5.866 -5.724 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.242 -4.313 -5.058 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.602 -4.452 -5.734 1.00 0.00 H new ATOM 179 N GLN A 11 2.392 -4.989 -2.115 1.00 0.00 N ATOM 180 CA GLN A 11 3.559 -5.851 -2.227 1.00 0.00 C ATOM 181 C GLN A 11 3.942 -6.464 -0.892 1.00 0.00 C ATOM 182 O GLN A 11 4.058 -7.692 -0.778 1.00 0.00 O ATOM 183 CB GLN A 11 4.740 -5.097 -2.825 1.00 0.00 C ATOM 184 CG GLN A 11 4.532 -4.653 -4.257 1.00 0.00 C ATOM 185 CD GLN A 11 5.704 -3.869 -4.784 1.00 0.00 C ATOM 186 OE1 GLN A 11 6.641 -4.427 -5.358 1.00 0.00 O ATOM 187 NE2 GLN A 11 5.673 -2.576 -4.598 1.00 0.00 N ATOM 0 H GLN A 11 2.554 -4.030 -2.421 1.00 0.00 H new ATOM 0 HA GLN A 11 3.290 -6.666 -2.899 1.00 0.00 H new ATOM 0 HB2 GLN A 11 4.945 -4.220 -2.211 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.624 -5.733 -2.778 1.00 0.00 H new ATOM 0 HG2 GLN A 11 4.369 -5.527 -4.887 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.631 -4.043 -4.319 1.00 0.00 H new ATOM 0 HE21 GLN A 11 4.881 -2.149 -4.118 1.00 0.00 H new ATOM 0 HE22 GLN A 11 6.441 -1.994 -4.932 1.00 0.00 H new ATOM 196 N GLU A 12 4.087 -5.627 0.129 1.00 0.00 N ATOM 197 CA GLU A 12 4.477 -6.120 1.437 1.00 0.00 C ATOM 198 C GLU A 12 3.394 -6.977 2.047 1.00 0.00 C ATOM 199 O GLU A 12 3.678 -8.000 2.662 1.00 0.00 O ATOM 200 CB GLU A 12 4.895 -4.998 2.382 1.00 0.00 C ATOM 201 CG GLU A 12 3.874 -3.916 2.609 1.00 0.00 C ATOM 202 CD GLU A 12 4.386 -2.837 3.520 1.00 0.00 C ATOM 203 OE1 GLU A 12 4.360 -3.013 4.753 1.00 0.00 O ATOM 204 OE2 GLU A 12 4.861 -1.799 3.029 1.00 0.00 O ATOM 0 H GLU A 12 3.942 -4.619 0.075 1.00 0.00 H new ATOM 0 HA GLU A 12 5.356 -6.747 1.286 1.00 0.00 H new ATOM 0 HB2 GLU A 12 5.151 -5.437 3.346 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.802 -4.538 1.990 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.592 -3.478 1.652 1.00 0.00 H new ATOM 0 HG3 GLU A 12 2.972 -4.353 3.037 1.00 0.00 H new ATOM 211 N CYS A 13 2.162 -6.562 1.850 1.00 0.00 N ATOM 212 CA CYS A 13 1.010 -7.290 2.344 1.00 0.00 C ATOM 213 C CYS A 13 0.984 -8.710 1.801 1.00 0.00 C ATOM 214 O CYS A 13 0.954 -9.669 2.578 1.00 0.00 O ATOM 215 CB CYS A 13 -0.298 -6.568 2.026 1.00 0.00 C ATOM 216 SG CYS A 13 -1.767 -7.310 2.822 1.00 0.00 S ATOM 0 H CYS A 13 1.928 -5.709 1.342 1.00 0.00 H new ATOM 0 HA CYS A 13 1.104 -7.339 3.429 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -0.213 -5.528 2.341 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -0.446 -6.563 0.946 1.00 0.00 H new ATOM 221 N GLN A 14 1.075 -8.851 0.470 1.00 0.00 N ATOM 222 CA GLN A 14 1.038 -10.168 -0.152 1.00 0.00 C ATOM 223 C GLN A 14 2.189 -11.022 0.316 1.00 0.00 C ATOM 224 O GLN A 14 1.982 -12.168 0.691 1.00 0.00 O ATOM 225 CB GLN A 14 1.007 -10.102 -1.677 1.00 0.00 C ATOM 226 CG GLN A 14 -0.219 -9.412 -2.234 1.00 0.00 C ATOM 227 CD GLN A 14 -0.294 -9.486 -3.740 1.00 0.00 C ATOM 228 OE1 GLN A 14 -0.889 -10.410 -4.302 1.00 0.00 O ATOM 229 NE2 GLN A 14 0.324 -8.549 -4.403 1.00 0.00 N ATOM 0 H GLN A 14 1.173 -8.074 -0.184 1.00 0.00 H new ATOM 0 HA GLN A 14 0.104 -10.631 0.166 1.00 0.00 H new ATOM 0 HB2 GLN A 14 1.897 -9.579 -2.027 1.00 0.00 H new ATOM 0 HB3 GLN A 14 1.055 -11.115 -2.076 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -1.113 -9.867 -1.807 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -0.215 -8.367 -1.925 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.805 -7.802 -3.902 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.327 -8.563 -5.423 1.00 0.00 H new ATOM 238 N ARG A 15 3.392 -10.445 0.345 1.00 0.00 N ATOM 239 CA ARG A 15 4.580 -11.156 0.806 1.00 0.00 C ATOM 240 C ARG A 15 4.422 -11.664 2.224 1.00 0.00 C ATOM 241 O ARG A 15 4.792 -12.804 2.533 1.00 0.00 O ATOM 242 CB ARG A 15 5.821 -10.286 0.687 1.00 0.00 C ATOM 243 CG ARG A 15 6.271 -10.049 -0.743 1.00 0.00 C ATOM 244 CD ARG A 15 6.558 -11.367 -1.450 1.00 0.00 C ATOM 245 NE ARG A 15 7.420 -12.235 -0.637 1.00 0.00 N ATOM 246 CZ ARG A 15 7.407 -13.571 -0.649 1.00 0.00 C ATOM 247 NH1 ARG A 15 6.670 -14.231 -1.531 1.00 0.00 N ATOM 248 NH2 ARG A 15 8.135 -14.237 0.224 1.00 0.00 N ATOM 0 H ARG A 15 3.567 -9.483 0.053 1.00 0.00 H new ATOM 0 HA ARG A 15 4.702 -12.023 0.157 1.00 0.00 H new ATOM 0 HB2 ARG A 15 5.625 -9.324 1.160 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.635 -10.754 1.241 1.00 0.00 H new ATOM 0 HG2 ARG A 15 5.500 -9.502 -1.285 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.166 -9.427 -0.748 1.00 0.00 H new ATOM 0 HD2 ARG A 15 5.620 -11.880 -1.662 1.00 0.00 H new ATOM 0 HD3 ARG A 15 7.038 -11.170 -2.409 1.00 0.00 H new ATOM 0 HE ARG A 15 8.084 -11.780 -0.011 1.00 0.00 H new ATOM 0 HH11 ARG A 15 6.106 -13.719 -2.209 1.00 0.00 H new ATOM 0 HH12 ARG A 15 6.667 -15.251 -1.532 1.00 0.00 H new ATOM 0 HH21 ARG A 15 8.704 -13.733 0.904 1.00 0.00 H new ATOM 0 HH22 ARG A 15 8.129 -15.257 0.220 1.00 0.00 H new ATOM 262 N ARG A 16 3.848 -10.839 3.076 1.00 0.00 N ATOM 263 CA ARG A 16 3.592 -11.233 4.444 1.00 0.00 C ATOM 264 C ARG A 16 2.595 -12.334 4.506 1.00 0.00 C ATOM 265 O ARG A 16 2.810 -13.316 5.193 1.00 0.00 O ATOM 266 CB ARG A 16 3.144 -10.084 5.309 1.00 0.00 C ATOM 267 CG ARG A 16 4.227 -9.098 5.636 1.00 0.00 C ATOM 268 CD ARG A 16 3.698 -8.033 6.559 1.00 0.00 C ATOM 269 NE ARG A 16 3.098 -8.620 7.767 1.00 0.00 N ATOM 270 CZ ARG A 16 2.454 -7.950 8.715 1.00 0.00 C ATOM 271 NH1 ARG A 16 2.326 -6.624 8.644 1.00 0.00 N ATOM 272 NH2 ARG A 16 1.920 -8.621 9.726 1.00 0.00 N ATOM 0 H ARG A 16 3.550 -9.891 2.844 1.00 0.00 H new ATOM 0 HA ARG A 16 4.543 -11.587 4.841 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.332 -9.560 4.805 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.738 -10.482 6.239 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.067 -9.611 6.104 1.00 0.00 H new ATOM 0 HG3 ARG A 16 4.603 -8.642 4.720 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.507 -7.360 6.843 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.954 -7.433 6.036 1.00 0.00 H new ATOM 0 HE ARG A 16 3.184 -9.629 7.887 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.725 -6.115 7.856 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.829 -6.120 9.378 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.007 -9.636 9.767 1.00 0.00 H new ATOM 0 HH22 ARG A 16 1.422 -8.122 10.463 1.00 0.00 H new ATOM 286 N CYS A 17 1.528 -12.192 3.772 1.00 0.00 N ATOM 287 CA CYS A 17 0.507 -13.212 3.709 1.00 0.00 C ATOM 288 C CYS A 17 1.093 -14.543 3.235 1.00 0.00 C ATOM 289 O CYS A 17 0.749 -15.587 3.747 1.00 0.00 O ATOM 290 CB CYS A 17 -0.635 -12.780 2.797 1.00 0.00 C ATOM 291 SG CYS A 17 -1.551 -11.303 3.354 1.00 0.00 S ATOM 0 H CYS A 17 1.337 -11.370 3.200 1.00 0.00 H new ATOM 0 HA CYS A 17 0.111 -13.351 4.715 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.232 -12.586 1.803 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.336 -13.609 2.701 1.00 0.00 H new ATOM 296 N GLN A 18 2.010 -14.485 2.279 1.00 0.00 N ATOM 297 CA GLN A 18 2.656 -15.682 1.740 1.00 0.00 C ATOM 298 C GLN A 18 3.580 -16.347 2.761 1.00 0.00 C ATOM 299 O GLN A 18 3.863 -17.548 2.673 1.00 0.00 O ATOM 300 CB GLN A 18 3.441 -15.355 0.465 1.00 0.00 C ATOM 301 CG GLN A 18 2.578 -14.818 -0.658 1.00 0.00 C ATOM 302 CD GLN A 18 3.350 -14.583 -1.943 1.00 0.00 C ATOM 303 OE1 GLN A 18 3.879 -13.498 -2.180 1.00 0.00 O ATOM 304 NE2 GLN A 18 3.425 -15.579 -2.783 1.00 0.00 N ATOM 0 H GLN A 18 2.328 -13.614 1.855 1.00 0.00 H new ATOM 0 HA GLN A 18 1.860 -16.386 1.499 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.212 -14.622 0.701 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.951 -16.255 0.121 1.00 0.00 H new ATOM 0 HG2 GLN A 18 1.767 -15.520 -0.852 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.120 -13.881 -0.340 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.977 -16.468 -2.561 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.932 -15.468 -3.661 1.00 0.00 H new ATOM 313 N SER A 19 4.042 -15.586 3.709 1.00 0.00 N ATOM 314 CA SER A 19 4.942 -16.096 4.708 1.00 0.00 C ATOM 315 C SER A 19 4.184 -16.499 5.982 1.00 0.00 C ATOM 316 O SER A 19 4.325 -17.624 6.474 1.00 0.00 O ATOM 317 CB SER A 19 5.998 -15.036 5.009 1.00 0.00 C ATOM 318 OG SER A 19 6.620 -14.610 3.797 1.00 0.00 O ATOM 0 H SER A 19 3.809 -14.599 3.814 1.00 0.00 H new ATOM 0 HA SER A 19 5.430 -16.994 4.329 1.00 0.00 H new ATOM 0 HB2 SER A 19 5.538 -14.184 5.510 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.747 -15.440 5.690 1.00 0.00 H new ATOM 0 HG SER A 19 6.027 -13.988 3.326 1.00 0.00 H new ATOM 324 N GLU A 20 3.354 -15.599 6.481 1.00 0.00 N ATOM 325 CA GLU A 20 2.632 -15.817 7.711 1.00 0.00 C ATOM 326 C GLU A 20 1.430 -16.724 7.509 1.00 0.00 C ATOM 327 O GLU A 20 1.015 -17.419 8.437 1.00 0.00 O ATOM 328 CB GLU A 20 2.152 -14.487 8.284 1.00 0.00 C ATOM 329 CG GLU A 20 3.249 -13.474 8.546 1.00 0.00 C ATOM 330 CD GLU A 20 2.710 -12.222 9.190 1.00 0.00 C ATOM 331 OE1 GLU A 20 2.418 -12.249 10.410 1.00 0.00 O ATOM 332 OE2 GLU A 20 2.548 -11.197 8.504 1.00 0.00 O ATOM 0 H GLU A 20 3.165 -14.698 6.041 1.00 0.00 H new ATOM 0 HA GLU A 20 3.320 -16.301 8.404 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.430 -14.050 7.594 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.624 -14.679 9.218 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.007 -13.918 9.191 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.740 -13.218 7.607 1.00 0.00 H new ATOM 339 N GLN A 21 0.885 -16.763 6.313 1.00 0.00 N ATOM 340 CA GLN A 21 -0.294 -17.554 6.071 1.00 0.00 C ATOM 341 C GLN A 21 -0.046 -18.542 4.956 1.00 0.00 C ATOM 342 O GLN A 21 1.016 -18.531 4.329 1.00 0.00 O ATOM 343 CB GLN A 21 -1.508 -16.668 5.742 1.00 0.00 C ATOM 344 CG GLN A 21 -1.863 -15.657 6.827 1.00 0.00 C ATOM 345 CD GLN A 21 -2.081 -16.295 8.194 1.00 0.00 C ATOM 346 OE1 GLN A 21 -2.505 -17.450 8.306 1.00 0.00 O ATOM 347 NE2 GLN A 21 -1.780 -15.565 9.230 1.00 0.00 N ATOM 0 H GLN A 21 1.239 -16.259 5.500 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.520 -18.103 6.985 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -1.310 -16.132 4.814 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -2.372 -17.308 5.563 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -1.065 -14.918 6.901 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -2.767 -15.122 6.535 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -1.432 -14.615 9.101 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -1.892 -15.944 10.171 1.00 0.00 H new ATOM 356 N GLN A 22 -1.010 -19.389 4.726 1.00 0.00 N ATOM 357 CA GLN A 22 -0.946 -20.399 3.705 1.00 0.00 C ATOM 358 C GLN A 22 -2.343 -20.841 3.408 1.00 0.00 C ATOM 359 O GLN A 22 -3.258 -20.499 4.167 1.00 0.00 O ATOM 360 CB GLN A 22 -0.101 -21.588 4.172 1.00 0.00 C ATOM 361 CG GLN A 22 -0.583 -22.229 5.467 1.00 0.00 C ATOM 362 CD GLN A 22 0.378 -23.260 6.005 1.00 0.00 C ATOM 363 OE1 GLN A 22 0.302 -24.441 5.677 1.00 0.00 O ATOM 364 NE2 GLN A 22 1.275 -22.834 6.844 1.00 0.00 N ATOM 0 H GLN A 22 -1.882 -19.397 5.255 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.477 -19.993 2.809 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.093 -22.344 3.387 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.929 -21.257 4.306 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.732 -21.452 6.217 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -1.552 -22.697 5.296 1.00 0.00 H new ATOM 0 HE21 GLN A 22 1.310 -21.846 7.095 1.00 0.00 H new ATOM 0 HE22 GLN A 22 1.944 -23.488 7.251 1.00 0.00 H new ATOM 373 N GLY A 23 -2.497 -21.545 2.313 1.00 0.00 N ATOM 374 CA GLY A 23 -3.769 -22.111 1.893 1.00 0.00 C ATOM 375 C GLY A 23 -4.947 -21.153 1.941 1.00 0.00 C ATOM 376 O GLY A 23 -4.942 -20.090 1.295 1.00 0.00 O ATOM 0 H GLY A 23 -1.730 -21.748 1.672 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.665 -22.483 0.874 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.993 -22.970 2.525 1.00 0.00 H new ATOM 380 N GLN A 24 -5.927 -21.514 2.755 1.00 0.00 N ATOM 381 CA GLN A 24 -7.155 -20.755 2.897 1.00 0.00 C ATOM 382 C GLN A 24 -6.876 -19.391 3.496 1.00 0.00 C ATOM 383 O GLN A 24 -7.360 -18.391 3.003 1.00 0.00 O ATOM 384 CB GLN A 24 -8.183 -21.523 3.744 1.00 0.00 C ATOM 385 CG GLN A 24 -8.600 -22.857 3.142 1.00 0.00 C ATOM 386 CD GLN A 24 -9.594 -23.615 4.002 1.00 0.00 C ATOM 387 OE1 GLN A 24 -9.218 -24.421 4.866 1.00 0.00 O ATOM 388 NE2 GLN A 24 -10.855 -23.370 3.794 1.00 0.00 N ATOM 0 H GLN A 24 -5.890 -22.349 3.339 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.579 -20.611 1.903 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -7.766 -21.697 4.736 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.069 -20.901 3.876 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.038 -22.684 2.159 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -7.714 -23.474 2.992 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -11.133 -22.701 3.076 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -11.566 -23.847 4.349 1.00 0.00 H new ATOM 397 N ARG A 25 -6.041 -19.353 4.520 1.00 0.00 N ATOM 398 CA ARG A 25 -5.685 -18.108 5.165 1.00 0.00 C ATOM 399 C ARG A 25 -4.963 -17.179 4.218 1.00 0.00 C ATOM 400 O ARG A 25 -5.120 -15.966 4.297 1.00 0.00 O ATOM 401 CB ARG A 25 -4.823 -18.377 6.369 1.00 0.00 C ATOM 402 CG ARG A 25 -5.530 -19.131 7.457 1.00 0.00 C ATOM 403 CD ARG A 25 -6.660 -18.320 8.056 1.00 0.00 C ATOM 404 NE ARG A 25 -6.212 -17.048 8.641 1.00 0.00 N ATOM 405 CZ ARG A 25 -6.901 -15.896 8.562 1.00 0.00 C ATOM 406 NH1 ARG A 25 -7.949 -15.794 7.740 1.00 0.00 N ATOM 407 NH2 ARG A 25 -6.516 -14.842 9.269 1.00 0.00 N ATOM 0 H ARG A 25 -5.596 -20.178 4.922 1.00 0.00 H new ATOM 0 HA ARG A 25 -6.609 -17.621 5.478 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.945 -18.943 6.058 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.466 -17.428 6.769 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.925 -20.064 7.056 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.818 -19.396 8.239 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.402 -18.116 7.284 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.156 -18.912 8.825 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.322 -17.039 9.139 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.229 -16.592 7.169 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -8.469 -14.918 7.683 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.697 -14.905 9.873 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.039 -13.969 9.208 1.00 0.00 H new ATOM 421 N LEU A 26 -4.182 -17.749 3.314 1.00 0.00 N ATOM 422 CA LEU A 26 -3.456 -16.949 2.356 1.00 0.00 C ATOM 423 C LEU A 26 -4.394 -16.231 1.428 1.00 0.00 C ATOM 424 O LEU A 26 -4.337 -15.009 1.343 1.00 0.00 O ATOM 425 CB LEU A 26 -2.435 -17.754 1.559 1.00 0.00 C ATOM 426 CG LEU A 26 -1.760 -16.989 0.412 1.00 0.00 C ATOM 427 CD1 LEU A 26 -1.044 -15.763 0.913 1.00 0.00 C ATOM 428 CD2 LEU A 26 -0.819 -17.858 -0.364 1.00 0.00 C ATOM 0 H LEU A 26 -4.039 -18.755 3.228 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.899 -16.214 2.937 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.664 -18.111 2.241 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.929 -18.634 1.148 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.556 -16.672 -0.262 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.578 -15.246 0.074 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.758 -15.097 1.398 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.277 -16.057 1.630 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.364 -17.276 -1.166 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.040 -18.234 0.299 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.368 -18.697 -0.791 1.00 0.00 H new ATOM 440 N GLN A 27 -5.269 -16.978 0.761 1.00 0.00 N ATOM 441 CA GLN A 27 -6.208 -16.393 -0.190 1.00 0.00 C ATOM 442 C GLN A 27 -7.074 -15.315 0.462 1.00 0.00 C ATOM 443 O GLN A 27 -7.356 -14.291 -0.160 1.00 0.00 O ATOM 444 CB GLN A 27 -7.057 -17.462 -0.904 1.00 0.00 C ATOM 445 CG GLN A 27 -7.815 -18.385 0.020 1.00 0.00 C ATOM 446 CD GLN A 27 -8.649 -19.397 -0.715 1.00 0.00 C ATOM 447 OE1 GLN A 27 -9.816 -19.147 -1.017 1.00 0.00 O ATOM 448 NE2 GLN A 27 -8.077 -20.532 -1.013 1.00 0.00 N ATOM 0 H GLN A 27 -5.347 -17.990 0.862 1.00 0.00 H new ATOM 0 HA GLN A 27 -5.613 -15.904 -0.962 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -7.769 -16.962 -1.561 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -6.404 -18.061 -1.539 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.107 -18.905 0.665 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -8.461 -17.792 0.668 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -7.107 -20.700 -0.745 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -8.600 -21.250 -1.514 1.00 0.00 H new ATOM 457 N GLU A 28 -7.443 -15.530 1.726 1.00 0.00 N ATOM 458 CA GLU A 28 -8.209 -14.547 2.489 1.00 0.00 C ATOM 459 C GLU A 28 -7.356 -13.282 2.726 1.00 0.00 C ATOM 460 O GLU A 28 -7.789 -12.144 2.439 1.00 0.00 O ATOM 461 CB GLU A 28 -8.626 -15.128 3.853 1.00 0.00 C ATOM 462 CG GLU A 28 -9.487 -16.378 3.801 1.00 0.00 C ATOM 463 CD GLU A 28 -9.858 -16.870 5.184 1.00 0.00 C ATOM 464 OE1 GLU A 28 -10.997 -16.617 5.631 1.00 0.00 O ATOM 465 OE2 GLU A 28 -9.022 -17.481 5.872 1.00 0.00 O ATOM 0 H GLU A 28 -7.222 -16.381 2.243 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.101 -14.292 1.917 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.724 -15.354 4.422 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -9.167 -14.359 4.405 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.395 -16.169 3.235 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.953 -17.164 3.268 1.00 0.00 H new ATOM 472 N CYS A 29 -6.144 -13.504 3.221 1.00 0.00 N ATOM 473 CA CYS A 29 -5.193 -12.450 3.576 1.00 0.00 C ATOM 474 C CYS A 29 -4.820 -11.607 2.357 1.00 0.00 C ATOM 475 O CYS A 29 -5.028 -10.385 2.345 1.00 0.00 O ATOM 476 CB CYS A 29 -3.926 -13.088 4.199 1.00 0.00 C ATOM 477 SG CYS A 29 -2.702 -11.924 4.915 1.00 0.00 S ATOM 0 H CYS A 29 -5.784 -14.443 3.392 1.00 0.00 H new ATOM 0 HA CYS A 29 -5.663 -11.788 4.304 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -4.240 -13.779 4.981 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -3.428 -13.680 3.431 1.00 0.00 H new ATOM 482 N GLN A 30 -4.332 -12.267 1.306 1.00 0.00 N ATOM 483 CA GLN A 30 -3.862 -11.576 0.110 1.00 0.00 C ATOM 484 C GLN A 30 -5.013 -10.871 -0.624 1.00 0.00 C ATOM 485 O GLN A 30 -4.797 -9.862 -1.300 1.00 0.00 O ATOM 486 CB GLN A 30 -3.075 -12.534 -0.809 1.00 0.00 C ATOM 487 CG GLN A 30 -3.902 -13.673 -1.367 1.00 0.00 C ATOM 488 CD GLN A 30 -3.097 -14.761 -2.058 1.00 0.00 C ATOM 489 OE1 GLN A 30 -3.515 -15.903 -2.086 1.00 0.00 O ATOM 490 NE2 GLN A 30 -1.926 -14.447 -2.553 1.00 0.00 N ATOM 0 H GLN A 30 -4.253 -13.283 1.261 1.00 0.00 H new ATOM 0 HA GLN A 30 -3.171 -10.793 0.422 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -2.656 -11.963 -1.638 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -2.235 -12.948 -0.251 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.472 -14.122 -0.554 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -4.623 -13.267 -2.076 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -1.599 -13.481 -2.517 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -1.341 -15.168 -2.975 1.00 0.00 H new ATOM 499 N GLN A 31 -6.237 -11.382 -0.449 1.00 0.00 N ATOM 500 CA GLN A 31 -7.427 -10.752 -1.014 1.00 0.00 C ATOM 501 C GLN A 31 -7.609 -9.377 -0.394 1.00 0.00 C ATOM 502 O GLN A 31 -7.872 -8.388 -1.097 1.00 0.00 O ATOM 503 CB GLN A 31 -8.668 -11.599 -0.737 1.00 0.00 C ATOM 504 CG GLN A 31 -9.960 -11.036 -1.309 1.00 0.00 C ATOM 505 CD GLN A 31 -9.934 -10.926 -2.815 1.00 0.00 C ATOM 506 OE1 GLN A 31 -9.267 -11.689 -3.497 1.00 0.00 O ATOM 507 NE2 GLN A 31 -10.672 -10.002 -3.342 1.00 0.00 N ATOM 0 H GLN A 31 -6.426 -12.233 0.082 1.00 0.00 H new ATOM 0 HA GLN A 31 -7.298 -10.663 -2.093 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.509 -12.597 -1.146 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.782 -11.711 0.341 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -10.792 -11.673 -1.010 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.143 -10.051 -0.880 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -11.217 -9.381 -2.744 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -10.709 -9.895 -4.356 1.00 0.00 H new ATOM 516 N ARG A 32 -7.430 -9.312 0.923 1.00 0.00 N ATOM 517 CA ARG A 32 -7.540 -8.059 1.653 1.00 0.00 C ATOM 518 C ARG A 32 -6.489 -7.073 1.198 1.00 0.00 C ATOM 519 O ARG A 32 -6.755 -5.873 1.128 1.00 0.00 O ATOM 520 CB ARG A 32 -7.427 -8.263 3.151 1.00 0.00 C ATOM 521 CG ARG A 32 -8.613 -8.931 3.794 1.00 0.00 C ATOM 522 CD ARG A 32 -8.401 -9.047 5.285 1.00 0.00 C ATOM 523 NE ARG A 32 -7.325 -9.979 5.613 1.00 0.00 N ATOM 524 CZ ARG A 32 -6.210 -9.684 6.281 1.00 0.00 C ATOM 525 NH1 ARG A 32 -5.890 -8.423 6.528 1.00 0.00 N ATOM 526 NH2 ARG A 32 -5.394 -10.656 6.668 1.00 0.00 N ATOM 0 H ARG A 32 -7.207 -10.119 1.506 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.530 -7.657 1.436 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.538 -8.860 3.355 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -7.275 -7.293 3.624 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -9.517 -8.357 3.591 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.761 -9.921 3.362 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -8.168 -8.065 5.696 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -9.325 -9.379 5.758 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.437 -10.944 5.302 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.498 -7.670 6.206 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -5.035 -8.205 7.040 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.620 -11.627 6.454 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -4.540 -10.432 7.179 1.00 0.00 H new ATOM 540 N CYS A 33 -5.310 -7.580 0.874 1.00 0.00 N ATOM 541 CA CYS A 33 -4.219 -6.752 0.376 1.00 0.00 C ATOM 542 C CYS A 33 -4.649 -6.039 -0.896 1.00 0.00 C ATOM 543 O CYS A 33 -4.403 -4.830 -1.067 1.00 0.00 O ATOM 544 CB CYS A 33 -2.995 -7.610 0.080 1.00 0.00 C ATOM 545 SG CYS A 33 -2.459 -8.639 1.466 1.00 0.00 S ATOM 0 H CYS A 33 -5.081 -8.571 0.948 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.966 -6.017 1.140 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.214 -8.253 -0.772 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.172 -6.959 -0.215 1.00 0.00 H new ATOM 550 N GLN A 34 -5.327 -6.786 -1.770 1.00 0.00 N ATOM 551 CA GLN A 34 -5.825 -6.253 -3.027 1.00 0.00 C ATOM 552 C GLN A 34 -6.882 -5.201 -2.756 1.00 0.00 C ATOM 553 O GLN A 34 -6.933 -4.168 -3.422 1.00 0.00 O ATOM 554 CB GLN A 34 -6.433 -7.364 -3.884 1.00 0.00 C ATOM 555 CG GLN A 34 -5.475 -8.482 -4.248 1.00 0.00 C ATOM 556 CD GLN A 34 -6.131 -9.539 -5.112 1.00 0.00 C ATOM 557 OE1 GLN A 34 -6.710 -10.494 -4.613 1.00 0.00 O ATOM 558 NE2 GLN A 34 -6.043 -9.387 -6.401 1.00 0.00 N ATOM 0 H GLN A 34 -5.542 -7.772 -1.622 1.00 0.00 H new ATOM 0 HA GLN A 34 -4.988 -5.809 -3.565 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -7.282 -7.791 -3.351 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.822 -6.924 -4.802 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -4.617 -8.065 -4.775 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -5.096 -8.944 -3.337 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -5.553 -8.580 -6.787 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -6.464 -10.075 -7.026 1.00 0.00 H new ATOM 567 N GLN A 35 -7.711 -5.458 -1.753 1.00 0.00 N ATOM 568 CA GLN A 35 -8.779 -4.540 -1.411 1.00 0.00 C ATOM 569 C GLN A 35 -8.212 -3.227 -0.881 1.00 0.00 C ATOM 570 O GLN A 35 -8.690 -2.147 -1.255 1.00 0.00 O ATOM 571 CB GLN A 35 -9.782 -5.141 -0.417 1.00 0.00 C ATOM 572 CG GLN A 35 -10.447 -6.447 -0.863 1.00 0.00 C ATOM 573 CD GLN A 35 -10.917 -6.423 -2.306 1.00 0.00 C ATOM 574 OE1 GLN A 35 -12.028 -6.000 -2.616 1.00 0.00 O ATOM 575 NE2 GLN A 35 -10.105 -6.943 -3.183 1.00 0.00 N ATOM 0 H GLN A 35 -7.662 -6.291 -1.167 1.00 0.00 H new ATOM 0 HA GLN A 35 -9.330 -4.341 -2.330 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -9.269 -5.319 0.528 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -10.561 -4.404 -0.223 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -9.742 -7.268 -0.732 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -11.299 -6.652 -0.215 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -9.189 -7.285 -2.891 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -10.385 -7.008 -4.162 1.00 0.00 H new ATOM 584 N GLU A 36 -7.172 -3.328 -0.033 1.00 0.00 N ATOM 585 CA GLU A 36 -6.467 -2.155 0.501 1.00 0.00 C ATOM 586 C GLU A 36 -5.967 -1.303 -0.640 1.00 0.00 C ATOM 587 O GLU A 36 -6.191 -0.101 -0.665 1.00 0.00 O ATOM 588 CB GLU A 36 -5.252 -2.558 1.338 1.00 0.00 C ATOM 589 CG GLU A 36 -5.536 -3.287 2.634 1.00 0.00 C ATOM 590 CD GLU A 36 -4.259 -3.628 3.361 1.00 0.00 C ATOM 591 OE1 GLU A 36 -3.822 -2.858 4.231 1.00 0.00 O ATOM 592 OE2 GLU A 36 -3.645 -4.654 3.052 1.00 0.00 O ATOM 0 H GLU A 36 -6.801 -4.219 0.297 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.174 -1.611 1.127 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.610 -3.190 0.725 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.684 -1.657 1.571 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.166 -2.667 3.272 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.094 -4.200 2.426 1.00 0.00 H new ATOM 599 N TYR A 37 -5.312 -1.963 -1.583 1.00 0.00 N ATOM 600 CA TYR A 37 -4.728 -1.344 -2.768 1.00 0.00 C ATOM 601 C TYR A 37 -5.727 -0.449 -3.504 1.00 0.00 C ATOM 602 O TYR A 37 -5.444 0.721 -3.762 1.00 0.00 O ATOM 603 CB TYR A 37 -4.188 -2.439 -3.706 1.00 0.00 C ATOM 604 CG TYR A 37 -3.694 -1.934 -5.044 1.00 0.00 C ATOM 605 CD1 TYR A 37 -4.398 -2.204 -6.215 1.00 0.00 C ATOM 606 CD2 TYR A 37 -2.547 -1.178 -5.134 1.00 0.00 C ATOM 607 CE1 TYR A 37 -3.957 -1.729 -7.432 1.00 0.00 C ATOM 608 CE2 TYR A 37 -2.099 -0.701 -6.340 1.00 0.00 C ATOM 609 CZ TYR A 37 -2.806 -0.978 -7.488 1.00 0.00 C ATOM 610 OH TYR A 37 -2.363 -0.490 -8.699 1.00 0.00 O ATOM 0 H TYR A 37 -5.167 -2.972 -1.546 1.00 0.00 H new ATOM 0 HA TYR A 37 -3.909 -0.702 -2.444 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -3.372 -2.959 -3.204 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.975 -3.173 -3.878 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -5.302 -2.794 -6.169 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.988 -0.956 -4.237 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -4.511 -1.945 -8.334 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.196 -0.111 -6.388 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.538 0.021 -8.564 1.00 0.00 H new