USER MOD reduce.3.24.130724 H: found=0, std=0, add=298, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 297 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 13 GLN : amide:sc= -0.0438 K(o=-0.044,f=-1) USER MOD Single : A 15 ASN :FLIP amide:sc= -14.5! C(o=-18!,f=-14!) USER MOD Single : A 19 SER OG : rot 95:sc= 0.25 USER MOD Single : A 20 GLN : amide:sc= 1.04 K(o=1,f=-0.32) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.273 K(o=-0.27,f=-1.1!) USER MOD Single : A 69 THR OG1 : rot -46:sc= 0.17 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 152:sc= -0.0868 (180deg=-0.501) USER MOD Single : A 78 ASN : amide:sc= -8.61! C(o=-8.6!,f=-12!) USER MOD Single : A 79 HIS : no HE2:sc= -20.9! C(o=-21!,f=-25!) USER MOD Single : A 80 THR OG1 : rot 170:sc= -2.31! USER MOD Single : A 83 HIS :FLIP no HD1:sc= -2.36 F(o=-3.1,f=-2.4) USER MOD ----------------------------------------------------------------- ATOM 147 N LEU A 12 -8.602 3.226 2.218 1.00 0.00 N ATOM 148 CA LEU A 12 -9.647 2.847 1.291 1.00 0.00 C ATOM 149 C LEU A 12 -10.142 4.036 0.501 1.00 0.00 C ATOM 150 O LEU A 12 -10.355 5.118 1.046 1.00 0.00 O ATOM 151 CB LEU A 12 -10.795 2.205 2.040 1.00 0.00 C ATOM 152 CG LEU A 12 -10.482 0.825 2.595 1.00 0.00 C ATOM 153 CD1 LEU A 12 -9.169 0.846 3.355 1.00 0.00 C ATOM 154 CD2 LEU A 12 -11.615 0.362 3.489 1.00 0.00 C ATOM 0 HA LEU A 12 -9.228 2.128 0.586 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -11.088 2.857 2.863 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -11.653 2.130 1.372 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.382 0.122 1.768 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -8.959 -0.149 3.746 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -8.365 1.149 2.684 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.238 1.553 4.181 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.386 -0.628 3.884 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.737 1.063 4.315 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -12.539 0.317 2.912 1.00 0.00 H new ATOM 166 N GLN A 13 -10.329 3.823 -0.789 1.00 0.00 N ATOM 167 CA GLN A 13 -10.808 4.881 -1.657 1.00 0.00 C ATOM 168 C GLN A 13 -12.196 4.583 -2.162 1.00 0.00 C ATOM 169 O GLN A 13 -12.427 4.419 -3.359 1.00 0.00 O ATOM 170 CB GLN A 13 -9.874 5.093 -2.820 1.00 0.00 C ATOM 171 CG GLN A 13 -8.533 5.669 -2.410 1.00 0.00 C ATOM 172 CD GLN A 13 -7.848 6.422 -3.532 1.00 0.00 C ATOM 173 OE1 GLN A 13 -8.261 6.348 -4.689 1.00 0.00 O ATOM 174 NE2 GLN A 13 -6.791 7.149 -3.193 1.00 0.00 N ATOM 0 H GLN A 13 -10.157 2.932 -1.256 1.00 0.00 H new ATOM 0 HA GLN A 13 -10.842 5.796 -1.066 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -9.714 4.142 -3.328 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -10.345 5.763 -3.539 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -8.675 6.340 -1.563 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.884 4.861 -2.072 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -6.484 7.181 -2.221 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.285 7.676 -3.905 1.00 0.00 H new ATOM 183 N GLU A 14 -13.094 4.511 -1.212 1.00 0.00 N ATOM 184 CA GLU A 14 -14.503 4.227 -1.457 1.00 0.00 C ATOM 185 C GLU A 14 -14.794 4.033 -2.931 1.00 0.00 C ATOM 186 O GLU A 14 -14.489 4.878 -3.773 1.00 0.00 O ATOM 187 CB GLU A 14 -15.400 5.327 -0.905 1.00 0.00 C ATOM 188 CG GLU A 14 -16.871 4.937 -0.872 1.00 0.00 C ATOM 189 CD GLU A 14 -17.796 6.137 -0.805 1.00 0.00 C ATOM 190 OE1 GLU A 14 -17.466 7.177 -1.412 1.00 0.00 O ATOM 191 OE2 GLU A 14 -18.854 6.035 -0.148 1.00 0.00 O ATOM 0 H GLU A 14 -12.872 4.649 -0.226 1.00 0.00 H new ATOM 0 HA GLU A 14 -14.722 3.296 -0.935 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -15.075 5.581 0.104 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -15.281 6.224 -1.513 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -17.107 4.351 -1.761 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -17.053 4.295 -0.010 1.00 0.00 H new ATOM 198 N ASN A 15 -15.394 2.904 -3.214 1.00 0.00 N ATOM 199 CA ASN A 15 -15.757 2.526 -4.565 1.00 0.00 C ATOM 200 C ASN A 15 -16.617 3.587 -5.240 1.00 0.00 C ATOM 201 O ASN A 15 -17.781 3.771 -4.885 1.00 0.00 O ATOM 202 CB ASN A 15 -16.503 1.208 -4.531 1.00 0.00 C ATOM 203 CG ASN A 15 -15.879 0.166 -5.425 1.00 0.00 C ATOM 204 OD1 ASN A 15 -16.486 -1.008 -5.455 1.00 0.00 O flip ATOM 205 ND2 ASN A 15 -14.867 0.413 -6.081 1.00 0.00 N flip ATOM 0 H ASN A 15 -15.648 2.212 -2.509 1.00 0.00 H new ATOM 0 HA ASN A 15 -14.840 2.427 -5.147 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -16.528 0.835 -3.507 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -17.537 1.372 -4.836 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -14.435 1.335 -6.024 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -14.461 -0.304 -6.681 1.00 0.00 H new ATOM 212 N PRO A 16 -16.065 4.289 -6.241 1.00 0.00 N ATOM 213 CA PRO A 16 -16.801 5.319 -6.978 1.00 0.00 C ATOM 214 C PRO A 16 -17.831 4.710 -7.925 1.00 0.00 C ATOM 215 O PRO A 16 -18.299 5.361 -8.858 1.00 0.00 O ATOM 216 CB PRO A 16 -15.705 6.037 -7.763 1.00 0.00 C ATOM 217 CG PRO A 16 -14.654 5.002 -7.968 1.00 0.00 C ATOM 218 CD PRO A 16 -14.689 4.122 -6.745 1.00 0.00 C ATOM 0 HA PRO A 16 -17.369 5.977 -6.320 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -16.081 6.415 -8.714 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -15.317 6.893 -7.211 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -14.849 4.423 -8.871 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -13.673 5.462 -8.089 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -14.475 3.082 -6.992 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -13.950 4.432 -6.006 1.00 0.00 H new ATOM 226 N PHE A 17 -18.172 3.451 -7.670 1.00 0.00 N ATOM 227 CA PHE A 17 -19.140 2.727 -8.481 1.00 0.00 C ATOM 228 C PHE A 17 -20.232 2.136 -7.603 1.00 0.00 C ATOM 229 O PHE A 17 -21.423 2.344 -7.835 1.00 0.00 O ATOM 230 CB PHE A 17 -18.444 1.597 -9.240 1.00 0.00 C ATOM 231 CG PHE A 17 -19.373 0.817 -10.123 1.00 0.00 C ATOM 232 CD1 PHE A 17 -20.204 -0.153 -9.587 1.00 0.00 C ATOM 233 CD2 PHE A 17 -19.416 1.056 -11.485 1.00 0.00 C ATOM 234 CE1 PHE A 17 -21.063 -0.872 -10.396 1.00 0.00 C ATOM 235 CE2 PHE A 17 -20.272 0.341 -12.301 1.00 0.00 C ATOM 236 CZ PHE A 17 -21.097 -0.625 -11.756 1.00 0.00 C ATOM 0 H PHE A 17 -17.786 2.907 -6.898 1.00 0.00 H new ATOM 0 HA PHE A 17 -19.586 3.426 -9.189 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -17.642 2.016 -9.848 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -17.980 0.919 -8.524 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -20.180 -0.349 -8.525 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -18.773 1.810 -11.915 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -21.707 -1.626 -9.967 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -20.296 0.537 -13.363 1.00 0.00 H new ATOM 0 HZ PHE A 17 -21.767 -1.186 -12.391 1.00 0.00 H new ATOM 246 N PHE A 18 -19.805 1.387 -6.596 1.00 0.00 N ATOM 247 CA PHE A 18 -20.720 0.741 -5.669 1.00 0.00 C ATOM 248 C PHE A 18 -21.274 1.735 -4.654 1.00 0.00 C ATOM 249 O PHE A 18 -22.215 1.427 -3.922 1.00 0.00 O ATOM 250 CB PHE A 18 -20.000 -0.386 -4.934 1.00 0.00 C ATOM 251 CG PHE A 18 -20.795 -1.655 -4.846 1.00 0.00 C ATOM 252 CD1 PHE A 18 -22.033 -1.665 -4.229 1.00 0.00 C ATOM 253 CD2 PHE A 18 -20.307 -2.835 -5.384 1.00 0.00 C ATOM 254 CE1 PHE A 18 -22.776 -2.828 -4.152 1.00 0.00 C ATOM 255 CE2 PHE A 18 -21.044 -4.003 -5.308 1.00 0.00 C ATOM 256 CZ PHE A 18 -22.281 -3.999 -4.692 1.00 0.00 C ATOM 0 H PHE A 18 -18.820 1.211 -6.400 1.00 0.00 H new ATOM 0 HA PHE A 18 -21.553 0.337 -6.244 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -19.057 -0.593 -5.440 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -19.754 -0.051 -3.926 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -22.424 -0.753 -3.802 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -19.341 -2.843 -5.868 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -23.743 -2.821 -3.670 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -20.653 -4.917 -5.730 1.00 0.00 H new ATOM 0 HZ PHE A 18 -22.859 -4.909 -4.633 1.00 0.00 H new ATOM 266 N SER A 19 -20.680 2.922 -4.604 1.00 0.00 N ATOM 267 CA SER A 19 -21.113 3.948 -3.668 1.00 0.00 C ATOM 268 C SER A 19 -22.559 4.347 -3.918 1.00 0.00 C ATOM 269 O SER A 19 -22.872 5.022 -4.898 1.00 0.00 O ATOM 270 CB SER A 19 -20.220 5.181 -3.765 1.00 0.00 C ATOM 271 OG SER A 19 -18.924 4.920 -3.255 1.00 0.00 O ATOM 0 H SER A 19 -19.899 3.195 -5.200 1.00 0.00 H new ATOM 0 HA SER A 19 -21.035 3.528 -2.665 1.00 0.00 H new ATOM 0 HB2 SER A 19 -20.147 5.498 -4.805 1.00 0.00 H new ATOM 0 HB3 SER A 19 -20.672 6.004 -3.212 1.00 0.00 H new ATOM 0 HG SER A 19 -18.328 4.665 -3.990 1.00 0.00 H new ATOM 277 N GLN A 20 -23.431 3.929 -3.016 1.00 0.00 N ATOM 278 CA GLN A 20 -24.851 4.244 -3.118 1.00 0.00 C ATOM 279 C GLN A 20 -25.423 4.580 -1.747 1.00 0.00 C ATOM 280 O GLN A 20 -24.862 4.193 -0.724 1.00 0.00 O ATOM 281 CB GLN A 20 -25.612 3.069 -3.732 1.00 0.00 C ATOM 282 CG GLN A 20 -24.860 2.387 -4.862 1.00 0.00 C ATOM 283 CD GLN A 20 -25.225 2.946 -6.222 1.00 0.00 C ATOM 284 OE1 GLN A 20 -25.951 2.316 -6.990 1.00 0.00 O ATOM 285 NE2 GLN A 20 -24.719 4.135 -6.527 1.00 0.00 N ATOM 0 H GLN A 20 -23.182 3.369 -2.201 1.00 0.00 H new ATOM 0 HA GLN A 20 -24.965 5.114 -3.765 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -25.825 2.337 -2.953 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -26.572 3.424 -4.107 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -23.788 2.501 -4.702 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -25.073 1.318 -4.843 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -24.121 4.622 -5.859 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -24.928 4.562 -7.429 1.00 0.00 H new ATOM 294 N PRO A 21 -26.551 5.307 -1.711 1.00 0.00 N ATOM 295 CA PRO A 21 -27.204 5.696 -0.457 1.00 0.00 C ATOM 296 C PRO A 21 -27.472 4.496 0.443 1.00 0.00 C ATOM 297 O PRO A 21 -28.621 4.112 0.661 1.00 0.00 O ATOM 298 CB PRO A 21 -28.520 6.326 -0.918 1.00 0.00 C ATOM 299 CG PRO A 21 -28.250 6.792 -2.307 1.00 0.00 C ATOM 300 CD PRO A 21 -27.279 5.804 -2.892 1.00 0.00 C ATOM 0 HA PRO A 21 -26.585 6.368 0.136 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -29.335 5.603 -0.894 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -28.810 7.154 -0.272 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -29.169 6.830 -2.892 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -27.831 7.798 -2.307 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -27.792 4.998 -3.417 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -26.608 6.276 -3.610 1.00 0.00 H new ATOM 308 N GLY A 22 -26.399 3.904 0.953 1.00 0.00 N ATOM 309 CA GLY A 22 -26.526 2.748 1.814 1.00 0.00 C ATOM 310 C GLY A 22 -25.373 1.778 1.650 1.00 0.00 C ATOM 311 O GLY A 22 -25.229 0.841 2.435 1.00 0.00 O ATOM 0 H GLY A 22 -25.440 4.207 0.784 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -26.577 3.075 2.852 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -27.463 2.236 1.595 1.00 0.00 H new ATOM 315 N ALA A 23 -24.550 1.999 0.627 1.00 0.00 N ATOM 316 CA ALA A 23 -23.409 1.125 0.375 1.00 0.00 C ATOM 317 C ALA A 23 -22.308 1.837 -0.381 1.00 0.00 C ATOM 318 O ALA A 23 -22.382 2.050 -1.591 1.00 0.00 O ATOM 319 CB ALA A 23 -23.853 -0.118 -0.371 1.00 0.00 C ATOM 0 H ALA A 23 -24.651 2.769 -0.035 1.00 0.00 H new ATOM 0 HA ALA A 23 -22.999 0.831 1.341 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -22.992 -0.761 -0.552 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -24.589 -0.657 0.226 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -24.298 0.169 -1.324 1.00 0.00 H new ATOM 325 N PRO A 24 -21.283 2.236 0.365 1.00 0.00 N ATOM 326 CA PRO A 24 -20.136 2.960 -0.123 1.00 0.00 C ATOM 327 C PRO A 24 -18.872 2.119 -0.180 1.00 0.00 C ATOM 328 O PRO A 24 -17.909 2.383 0.538 1.00 0.00 O ATOM 329 CB PRO A 24 -20.022 4.021 0.963 1.00 0.00 C ATOM 330 CG PRO A 24 -20.499 3.340 2.223 1.00 0.00 C ATOM 331 CD PRO A 24 -21.169 2.058 1.804 1.00 0.00 C ATOM 0 HA PRO A 24 -20.248 3.322 -1.145 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -18.995 4.371 1.067 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -20.633 4.893 0.729 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -19.663 3.137 2.892 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -21.195 3.979 2.767 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -20.573 1.182 2.061 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -22.142 1.932 2.278 1.00 0.00 H new ATOM 339 N ILE A 25 -18.888 1.114 -1.039 1.00 0.00 N ATOM 340 CA ILE A 25 -17.770 0.228 -1.223 1.00 0.00 C ATOM 341 C ILE A 25 -16.425 0.943 -1.178 1.00 0.00 C ATOM 342 O ILE A 25 -16.351 2.123 -0.846 1.00 0.00 O ATOM 343 CB ILE A 25 -17.958 -0.510 -2.535 1.00 0.00 C ATOM 344 CG1 ILE A 25 -19.169 -1.389 -2.383 1.00 0.00 C ATOM 345 CG2 ILE A 25 -16.747 -1.360 -2.847 1.00 0.00 C ATOM 346 CD1 ILE A 25 -19.039 -2.258 -1.170 1.00 0.00 C ATOM 0 H ILE A 25 -19.690 0.895 -1.630 1.00 0.00 H new ATOM 0 HA ILE A 25 -17.748 -0.476 -0.391 1.00 0.00 H new ATOM 0 HB ILE A 25 -18.087 0.200 -3.352 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -20.065 -0.773 -2.302 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -19.289 -2.010 -3.271 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -16.902 -1.881 -3.792 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -15.866 -0.723 -2.924 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -16.599 -2.089 -2.050 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -19.924 -2.887 -1.076 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -18.155 -2.888 -1.267 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -18.943 -1.632 -0.283 1.00 0.00 H new ATOM 358 N LEU A 26 -15.353 0.195 -1.430 1.00 0.00 N ATOM 359 CA LEU A 26 -14.013 0.735 -1.318 1.00 0.00 C ATOM 360 C LEU A 26 -13.009 0.091 -2.232 1.00 0.00 C ATOM 361 O LEU A 26 -13.334 -0.512 -3.249 1.00 0.00 O ATOM 362 CB LEU A 26 -13.600 0.492 0.106 1.00 0.00 C ATOM 363 CG LEU A 26 -14.768 0.041 0.951 1.00 0.00 C ATOM 364 CD1 LEU A 26 -14.308 -0.833 2.096 1.00 0.00 C ATOM 365 CD2 LEU A 26 -15.551 1.238 1.463 1.00 0.00 C ATOM 0 H LEU A 26 -15.393 -0.784 -1.712 1.00 0.00 H new ATOM 0 HA LEU A 26 -14.033 1.787 -1.604 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -12.815 -0.264 0.135 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -13.178 1.406 0.525 1.00 0.00 H new ATOM 0 HG LEU A 26 -15.428 -0.556 0.323 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -15.170 -1.142 2.687 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -13.804 -1.715 1.701 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -13.618 -0.273 2.727 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -16.388 0.893 2.069 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -14.899 1.867 2.069 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -15.928 1.814 0.618 1.00 0.00 H new ATOM 377 N GLN A 27 -11.771 0.255 -1.827 1.00 0.00 N ATOM 378 CA GLN A 27 -10.632 -0.280 -2.558 1.00 0.00 C ATOM 379 C GLN A 27 -9.344 0.423 -2.131 1.00 0.00 C ATOM 380 O GLN A 27 -8.925 1.410 -2.736 1.00 0.00 O ATOM 381 CB GLN A 27 -10.865 -0.131 -4.059 1.00 0.00 C ATOM 382 CG GLN A 27 -9.650 -0.465 -4.905 1.00 0.00 C ATOM 383 CD GLN A 27 -9.922 -0.314 -6.389 1.00 0.00 C ATOM 384 OE1 GLN A 27 -10.568 0.642 -6.819 1.00 0.00 O ATOM 385 NE2 GLN A 27 -9.430 -1.259 -7.181 1.00 0.00 N ATOM 0 H GLN A 27 -11.518 0.764 -0.980 1.00 0.00 H new ATOM 0 HA GLN A 27 -10.526 -1.340 -2.327 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -11.691 -0.778 -4.355 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -11.172 0.894 -4.269 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -8.823 0.186 -4.622 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -9.336 -1.488 -4.698 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -8.900 -2.034 -6.782 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -9.582 -1.210 -8.188 1.00 0.00 H new ATOM 394 N CYS A 28 -8.741 -0.094 -1.066 1.00 0.00 N ATOM 395 CA CYS A 28 -7.512 0.464 -0.507 1.00 0.00 C ATOM 396 C CYS A 28 -6.629 1.084 -1.585 1.00 0.00 C ATOM 397 O CYS A 28 -6.062 0.374 -2.416 1.00 0.00 O ATOM 398 CB CYS A 28 -6.712 -0.609 0.237 1.00 0.00 C ATOM 399 SG CYS A 28 -6.028 -0.049 1.834 1.00 0.00 S ATOM 0 H CYS A 28 -9.089 -0.911 -0.565 1.00 0.00 H new ATOM 0 HA CYS A 28 -7.813 1.246 0.191 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -7.355 -1.472 0.411 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -5.893 -0.945 -0.400 1.00 0.00 H new ATOM 892 N VAL A 61 -2.790 -4.348 2.073 1.00 0.00 N ATOM 893 CA VAL A 61 -3.796 -5.325 1.678 1.00 0.00 C ATOM 894 C VAL A 61 -4.895 -5.438 2.729 1.00 0.00 C ATOM 895 O VAL A 61 -4.825 -6.283 3.620 1.00 0.00 O ATOM 896 CB VAL A 61 -3.175 -6.717 1.451 1.00 0.00 C ATOM 897 CG1 VAL A 61 -2.562 -6.808 0.062 1.00 0.00 C ATOM 898 CG2 VAL A 61 -2.137 -7.026 2.522 1.00 0.00 C ATOM 0 HA VAL A 61 -4.226 -4.971 0.741 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.967 -7.462 1.524 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.128 -7.798 -0.080 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.334 -6.639 -0.688 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.783 -6.052 -0.042 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.712 -8.013 2.342 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.345 -6.278 2.488 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.611 -7.008 3.504 1.00 0.00 H new ATOM 908 N ALA A 62 -5.910 -4.579 2.610 1.00 0.00 N ATOM 909 CA ALA A 62 -7.040 -4.570 3.541 1.00 0.00 C ATOM 910 C ALA A 62 -6.905 -5.654 4.606 1.00 0.00 C ATOM 911 O ALA A 62 -7.010 -6.844 4.310 1.00 0.00 O ATOM 912 CB ALA A 62 -8.342 -4.743 2.776 1.00 0.00 C ATOM 0 H ALA A 62 -5.972 -3.877 1.873 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.044 -3.607 4.052 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -9.178 -4.735 3.475 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.457 -3.926 2.064 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -8.326 -5.692 2.240 1.00 0.00 H new ATOM 918 N LYS A 63 -6.692 -5.235 5.849 1.00 0.00 N ATOM 919 CA LYS A 63 -6.566 -6.170 6.954 1.00 0.00 C ATOM 920 C LYS A 63 -7.805 -7.039 7.005 1.00 0.00 C ATOM 921 O LYS A 63 -7.754 -8.220 7.353 1.00 0.00 O ATOM 922 CB LYS A 63 -6.412 -5.412 8.269 1.00 0.00 C ATOM 923 CG LYS A 63 -5.915 -6.279 9.411 1.00 0.00 C ATOM 924 CD LYS A 63 -6.054 -5.573 10.751 1.00 0.00 C ATOM 925 CE LYS A 63 -5.034 -6.080 11.759 1.00 0.00 C ATOM 926 NZ LYS A 63 -5.566 -6.049 13.151 1.00 0.00 N ATOM 0 H LYS A 63 -6.603 -4.254 6.113 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.683 -6.792 6.806 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.718 -4.584 8.123 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.373 -4.978 8.544 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.477 -7.213 9.431 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.870 -6.539 9.243 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.927 -4.499 10.612 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.060 -5.727 11.141 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.746 -7.100 11.503 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.132 -5.470 11.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.841 -6.402 13.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.817 -5.072 13.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.412 -6.651 13.213 1.00 0.00 H new ATOM 940 N SER A 64 -8.915 -6.428 6.629 1.00 0.00 N ATOM 941 CA SER A 64 -10.198 -7.098 6.590 1.00 0.00 C ATOM 942 C SER A 64 -10.984 -6.586 5.391 1.00 0.00 C ATOM 943 O SER A 64 -10.806 -5.442 4.971 1.00 0.00 O ATOM 944 CB SER A 64 -10.973 -6.857 7.886 1.00 0.00 C ATOM 945 OG SER A 64 -10.934 -7.999 8.723 1.00 0.00 O ATOM 0 H SER A 64 -8.949 -5.450 6.342 1.00 0.00 H new ATOM 0 HA SER A 64 -10.044 -8.173 6.492 1.00 0.00 H new ATOM 0 HB2 SER A 64 -10.550 -6.002 8.413 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.008 -6.608 7.653 1.00 0.00 H new ATOM 0 HG SER A 64 -11.435 -7.819 9.546 1.00 0.00 H new ATOM 951 N TYR A 65 -11.827 -7.430 4.819 1.00 0.00 N ATOM 952 CA TYR A 65 -12.592 -7.031 3.646 1.00 0.00 C ATOM 953 C TYR A 65 -14.062 -7.374 3.771 1.00 0.00 C ATOM 954 O TYR A 65 -14.447 -8.282 4.509 1.00 0.00 O ATOM 955 CB TYR A 65 -12.040 -7.730 2.403 1.00 0.00 C ATOM 956 CG TYR A 65 -11.684 -9.180 2.636 1.00 0.00 C ATOM 957 CD1 TYR A 65 -10.516 -9.529 3.303 1.00 0.00 C ATOM 958 CD2 TYR A 65 -12.516 -10.200 2.193 1.00 0.00 C ATOM 959 CE1 TYR A 65 -10.187 -10.853 3.519 1.00 0.00 C ATOM 960 CE2 TYR A 65 -12.194 -11.527 2.407 1.00 0.00 C ATOM 961 CZ TYR A 65 -11.029 -11.847 3.071 1.00 0.00 C ATOM 962 OH TYR A 65 -10.705 -13.166 3.287 1.00 0.00 O ATOM 0 H TYR A 65 -11.999 -8.383 5.141 1.00 0.00 H new ATOM 0 HA TYR A 65 -12.497 -5.948 3.561 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -12.778 -7.669 1.603 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -11.153 -7.197 2.059 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -9.855 -8.752 3.658 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -13.429 -9.952 1.673 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -9.274 -11.108 4.037 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -12.851 -12.309 2.056 1.00 0.00 H new ATOM 0 HH TYR A 65 -11.404 -13.740 2.910 1.00 0.00 H new ATOM 972 N ASN A 66 -14.873 -6.675 2.991 1.00 0.00 N ATOM 973 CA ASN A 66 -16.302 -6.943 2.953 1.00 0.00 C ATOM 974 C ASN A 66 -16.698 -7.096 1.509 1.00 0.00 C ATOM 975 O ASN A 66 -17.820 -6.810 1.093 1.00 0.00 O ATOM 976 CB ASN A 66 -17.101 -5.842 3.626 1.00 0.00 C ATOM 977 CG ASN A 66 -17.959 -6.355 4.764 1.00 0.00 C ATOM 978 OD1 ASN A 66 -17.606 -7.322 5.439 1.00 0.00 O ATOM 979 ND2 ASN A 66 -19.097 -5.707 4.977 1.00 0.00 N ATOM 0 H ASN A 66 -14.567 -5.920 2.377 1.00 0.00 H new ATOM 0 HA ASN A 66 -16.520 -7.856 3.507 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -16.417 -5.083 4.006 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -17.738 -5.357 2.886 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -19.721 -6.005 5.726 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -19.348 -4.910 4.391 1.00 0.00 H new ATOM 986 N ARG A 67 -15.711 -7.553 0.776 1.00 0.00 N ATOM 987 CA ARG A 67 -15.795 -7.797 -0.652 1.00 0.00 C ATOM 988 C ARG A 67 -17.203 -7.630 -1.194 1.00 0.00 C ATOM 989 O ARG A 67 -18.165 -8.199 -0.676 1.00 0.00 O ATOM 990 CB ARG A 67 -15.270 -9.194 -0.950 1.00 0.00 C ATOM 991 CG ARG A 67 -14.364 -9.263 -2.163 1.00 0.00 C ATOM 992 CD ARG A 67 -14.762 -10.408 -3.079 1.00 0.00 C ATOM 993 NE ARG A 67 -14.205 -11.681 -2.634 1.00 0.00 N ATOM 994 CZ ARG A 67 -12.949 -12.050 -2.859 1.00 0.00 C ATOM 995 NH1 ARG A 67 -12.132 -11.244 -3.522 1.00 0.00 N ATOM 996 NH2 ARG A 67 -12.510 -13.223 -2.423 1.00 0.00 N ATOM 0 H ARG A 67 -14.795 -7.774 1.166 1.00 0.00 H new ATOM 0 HA ARG A 67 -15.182 -7.050 -1.156 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -14.725 -9.560 -0.080 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -16.116 -9.865 -1.102 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -14.412 -8.322 -2.711 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -13.330 -9.393 -1.842 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -15.849 -10.481 -3.117 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -14.421 -10.197 -4.093 1.00 0.00 H new ATOM 0 HE ARG A 67 -14.812 -12.322 -2.123 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -12.468 -10.342 -3.859 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -11.167 -11.526 -3.696 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -13.137 -13.845 -1.913 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -11.545 -13.503 -2.598 1.00 0.00 H new ATOM 1010 N VAL A 68 -17.298 -6.847 -2.255 1.00 0.00 N ATOM 1011 CA VAL A 68 -18.565 -6.577 -2.916 1.00 0.00 C ATOM 1012 C VAL A 68 -18.381 -6.588 -4.424 1.00 0.00 C ATOM 1013 O VAL A 68 -18.804 -5.666 -5.121 1.00 0.00 O ATOM 1014 CB VAL A 68 -19.139 -5.212 -2.492 1.00 0.00 C ATOM 1015 CG1 VAL A 68 -19.123 -5.067 -0.977 1.00 0.00 C ATOM 1016 CG2 VAL A 68 -18.360 -4.078 -3.151 1.00 0.00 C ATOM 0 H VAL A 68 -16.499 -6.380 -2.683 1.00 0.00 H new ATOM 0 HA VAL A 68 -19.264 -7.359 -2.620 1.00 0.00 H new ATOM 0 HB VAL A 68 -20.175 -5.157 -2.826 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -19.533 -4.096 -0.700 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -19.727 -5.856 -0.530 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -18.098 -5.145 -0.615 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -18.779 -3.121 -2.841 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -17.314 -4.132 -2.849 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -18.430 -4.170 -4.235 1.00 0.00 H new ATOM 1026 N THR A 69 -17.728 -7.632 -4.912 1.00 0.00 N ATOM 1027 CA THR A 69 -17.455 -7.775 -6.333 1.00 0.00 C ATOM 1028 C THR A 69 -18.422 -6.952 -7.173 1.00 0.00 C ATOM 1029 O THR A 69 -19.633 -7.171 -7.151 1.00 0.00 O ATOM 1030 CB THR A 69 -17.521 -9.236 -6.762 1.00 0.00 C ATOM 1031 OG1 THR A 69 -16.389 -9.951 -6.294 1.00 0.00 O ATOM 1032 CG2 THR A 69 -17.584 -9.394 -8.264 1.00 0.00 C ATOM 0 H THR A 69 -17.375 -8.398 -4.339 1.00 0.00 H new ATOM 0 HA THR A 69 -16.445 -7.402 -6.501 1.00 0.00 H new ATOM 0 HB THR A 69 -18.436 -9.636 -6.325 1.00 0.00 H new ATOM 0 HG1 THR A 69 -15.578 -9.429 -6.466 1.00 0.00 H new ATOM 0 HG21 THR A 69 -17.630 -10.453 -8.517 1.00 0.00 H new ATOM 0 HG22 THR A 69 -18.473 -8.891 -8.646 1.00 0.00 H new ATOM 0 HG23 THR A 69 -16.695 -8.952 -8.714 1.00 0.00 H new ATOM 1040 N VAL A 70 -17.867 -6.009 -7.913 1.00 0.00 N ATOM 1041 CA VAL A 70 -18.659 -5.139 -8.774 1.00 0.00 C ATOM 1042 C VAL A 70 -18.381 -5.397 -10.240 1.00 0.00 C ATOM 1043 O VAL A 70 -17.814 -6.421 -10.619 1.00 0.00 O ATOM 1044 CB VAL A 70 -18.391 -3.648 -8.510 1.00 0.00 C ATOM 1045 CG1 VAL A 70 -19.680 -2.927 -8.142 1.00 0.00 C ATOM 1046 CG2 VAL A 70 -17.339 -3.462 -7.428 1.00 0.00 C ATOM 0 H VAL A 70 -16.864 -5.823 -7.937 1.00 0.00 H new ATOM 0 HA VAL A 70 -19.697 -5.372 -8.537 1.00 0.00 H new ATOM 0 HB VAL A 70 -18.004 -3.209 -9.429 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -19.468 -1.874 -7.959 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -20.394 -3.017 -8.961 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -20.102 -3.374 -7.242 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -17.171 -2.398 -7.263 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -17.684 -3.922 -6.502 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -16.407 -3.932 -7.742 1.00 0.00 H new ATOM 1056 N MET A 71 -18.802 -4.441 -11.050 1.00 0.00 N ATOM 1057 CA MET A 71 -18.632 -4.508 -12.492 1.00 0.00 C ATOM 1058 C MET A 71 -17.429 -5.363 -12.880 1.00 0.00 C ATOM 1059 O MET A 71 -16.429 -5.409 -12.164 1.00 0.00 O ATOM 1060 CB MET A 71 -18.482 -3.104 -13.077 1.00 0.00 C ATOM 1061 CG MET A 71 -17.587 -2.193 -12.254 1.00 0.00 C ATOM 1062 SD MET A 71 -16.126 -1.652 -13.160 1.00 0.00 S ATOM 1063 CE MET A 71 -15.838 -0.053 -12.408 1.00 0.00 C ATOM 0 H MET A 71 -19.272 -3.595 -10.727 1.00 0.00 H new ATOM 0 HA MET A 71 -19.525 -4.977 -12.904 1.00 0.00 H new ATOM 0 HB2 MET A 71 -18.077 -3.182 -14.086 1.00 0.00 H new ATOM 0 HB3 MET A 71 -19.468 -2.648 -13.163 1.00 0.00 H new ATOM 0 HG2 MET A 71 -18.157 -1.320 -11.937 1.00 0.00 H new ATOM 0 HG3 MET A 71 -17.276 -2.716 -11.350 1.00 0.00 H new ATOM 0 HE1 MET A 71 -14.963 0.411 -12.863 1.00 0.00 H new ATOM 0 HE2 MET A 71 -16.709 0.584 -12.563 1.00 0.00 H new ATOM 0 HE3 MET A 71 -15.667 -0.179 -11.339 1.00 0.00 H new ATOM 1073 N GLY A 72 -17.534 -6.036 -14.022 1.00 0.00 N ATOM 1074 CA GLY A 72 -16.450 -6.879 -14.489 1.00 0.00 C ATOM 1075 C GLY A 72 -15.937 -7.805 -13.405 1.00 0.00 C ATOM 1076 O GLY A 72 -14.804 -8.282 -13.470 1.00 0.00 O ATOM 0 H GLY A 72 -18.351 -6.012 -14.632 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -16.792 -7.471 -15.338 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -15.633 -6.252 -14.846 1.00 0.00 H new ATOM 1080 N GLY A 73 -16.773 -8.054 -12.403 1.00 0.00 N ATOM 1081 CA GLY A 73 -16.382 -8.922 -11.311 1.00 0.00 C ATOM 1082 C GLY A 73 -15.330 -8.288 -10.422 1.00 0.00 C ATOM 1083 O GLY A 73 -14.436 -8.973 -9.924 1.00 0.00 O ATOM 0 H GLY A 73 -17.715 -7.669 -12.329 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -17.260 -9.168 -10.713 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -15.998 -9.859 -11.714 1.00 0.00 H new ATOM 1087 N PHE A 74 -15.437 -6.977 -10.219 1.00 0.00 N ATOM 1088 CA PHE A 74 -14.485 -6.257 -9.382 1.00 0.00 C ATOM 1089 C PHE A 74 -14.361 -6.926 -8.021 1.00 0.00 C ATOM 1090 O PHE A 74 -15.089 -7.870 -7.718 1.00 0.00 O ATOM 1091 CB PHE A 74 -14.918 -4.798 -9.203 1.00 0.00 C ATOM 1092 CG PHE A 74 -14.151 -3.833 -10.062 1.00 0.00 C ATOM 1093 CD1 PHE A 74 -13.987 -4.072 -11.416 1.00 0.00 C ATOM 1094 CD2 PHE A 74 -13.596 -2.687 -9.515 1.00 0.00 C ATOM 1095 CE1 PHE A 74 -13.284 -3.187 -12.210 1.00 0.00 C ATOM 1096 CE2 PHE A 74 -12.892 -1.797 -10.304 1.00 0.00 C ATOM 1097 CZ PHE A 74 -12.735 -2.048 -11.653 1.00 0.00 C ATOM 0 H PHE A 74 -16.171 -6.395 -10.622 1.00 0.00 H new ATOM 0 HA PHE A 74 -13.515 -6.278 -9.879 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -15.980 -4.712 -9.434 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -14.795 -4.517 -8.157 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -14.414 -4.961 -11.856 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -13.715 -2.487 -8.460 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -13.164 -3.385 -13.265 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -12.465 -0.907 -9.866 1.00 0.00 H new ATOM 0 HZ PHE A 74 -12.184 -1.355 -12.272 1.00 0.00 H new ATOM 1107 N LYS A 75 -13.441 -6.427 -7.203 1.00 0.00 N ATOM 1108 CA LYS A 75 -13.227 -6.971 -5.867 1.00 0.00 C ATOM 1109 C LYS A 75 -12.641 -5.913 -4.942 1.00 0.00 C ATOM 1110 O LYS A 75 -11.423 -5.762 -4.843 1.00 0.00 O ATOM 1111 CB LYS A 75 -12.296 -8.184 -5.913 1.00 0.00 C ATOM 1112 CG LYS A 75 -12.690 -9.230 -6.943 1.00 0.00 C ATOM 1113 CD LYS A 75 -11.850 -9.114 -8.204 1.00 0.00 C ATOM 1114 CE LYS A 75 -10.771 -10.184 -8.251 1.00 0.00 C ATOM 1115 NZ LYS A 75 -11.351 -11.552 -8.336 1.00 0.00 N ATOM 0 H LYS A 75 -12.831 -5.646 -7.442 1.00 0.00 H new ATOM 0 HA LYS A 75 -14.196 -7.286 -5.479 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.283 -7.843 -6.126 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.275 -8.650 -4.928 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -12.571 -10.226 -6.516 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -13.744 -9.115 -7.195 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.492 -9.204 -9.080 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.389 -8.127 -8.246 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.124 -10.010 -9.111 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.146 -10.109 -7.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.683 -12.182 -8.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.530 -11.913 -7.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.245 -11.518 -8.866 1.00 0.00 H new ATOM 1129 N VAL A 76 -13.518 -5.189 -4.262 1.00 0.00 N ATOM 1130 CA VAL A 76 -13.101 -4.145 -3.335 1.00 0.00 C ATOM 1131 C VAL A 76 -12.948 -4.700 -1.960 1.00 0.00 C ATOM 1132 O VAL A 76 -12.840 -3.954 -0.986 1.00 0.00 O ATOM 1133 CB VAL A 76 -14.153 -3.025 -3.261 1.00 0.00 C ATOM 1134 CG1 VAL A 76 -14.292 -2.347 -4.612 1.00 0.00 C ATOM 1135 CG2 VAL A 76 -15.467 -3.657 -2.836 1.00 0.00 C ATOM 0 H VAL A 76 -14.529 -5.306 -4.335 1.00 0.00 H new ATOM 0 HA VAL A 76 -12.153 -3.751 -3.700 1.00 0.00 H new ATOM 0 HB VAL A 76 -13.855 -2.263 -2.541 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -15.039 -1.556 -4.547 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -13.334 -1.918 -4.904 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -14.603 -3.080 -5.357 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -16.237 -2.888 -2.773 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -15.763 -4.408 -3.568 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -15.345 -4.129 -1.861 1.00 0.00 H new ATOM 1145 N GLU A 77 -12.975 -6.011 -1.886 1.00 0.00 N ATOM 1146 CA GLU A 77 -12.890 -6.688 -0.598 1.00 0.00 C ATOM 1147 C GLU A 77 -13.398 -5.698 0.426 1.00 0.00 C ATOM 1148 O GLU A 77 -12.806 -5.503 1.485 1.00 0.00 O ATOM 1149 CB GLU A 77 -11.445 -7.094 -0.296 1.00 0.00 C ATOM 1150 CG GLU A 77 -10.472 -6.761 -1.413 1.00 0.00 C ATOM 1151 CD GLU A 77 -10.465 -7.808 -2.510 1.00 0.00 C ATOM 1152 OE1 GLU A 77 -11.131 -8.850 -2.340 1.00 0.00 O ATOM 1153 OE2 GLU A 77 -9.793 -7.585 -3.539 1.00 0.00 O ATOM 0 H GLU A 77 -13.054 -6.632 -2.691 1.00 0.00 H new ATOM 0 HA GLU A 77 -13.480 -7.605 -0.588 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.120 -6.596 0.617 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -11.411 -8.166 -0.104 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -10.733 -5.793 -1.841 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.468 -6.666 -0.999 1.00 0.00 H new ATOM 1160 N ASN A 78 -14.469 -5.009 0.017 1.00 0.00 N ATOM 1161 CA ASN A 78 -15.051 -3.927 0.784 1.00 0.00 C ATOM 1162 C ASN A 78 -14.271 -3.744 2.061 1.00 0.00 C ATOM 1163 O ASN A 78 -14.727 -4.051 3.163 1.00 0.00 O ATOM 1164 CB ASN A 78 -16.532 -4.098 1.052 1.00 0.00 C ATOM 1165 CG ASN A 78 -17.082 -2.792 1.562 1.00 0.00 C ATOM 1166 OD1 ASN A 78 -16.952 -1.760 0.908 1.00 0.00 O ATOM 1167 ND2 ASN A 78 -17.696 -2.825 2.720 1.00 0.00 N ATOM 0 H ASN A 78 -14.952 -5.195 -0.862 1.00 0.00 H new ATOM 0 HA ASN A 78 -14.979 -3.023 0.179 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -17.049 -4.396 0.140 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -16.695 -4.889 1.784 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -18.090 -1.970 3.113 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -17.780 -3.706 3.228 1.00 0.00 H new ATOM 1172 N HIS A 79 -13.052 -3.291 1.858 1.00 0.00 N ATOM 1173 CA HIS A 79 -12.093 -3.096 2.918 1.00 0.00 C ATOM 1174 C HIS A 79 -12.670 -2.501 4.174 1.00 0.00 C ATOM 1175 O HIS A 79 -13.160 -1.377 4.207 1.00 0.00 O ATOM 1176 CB HIS A 79 -10.934 -2.261 2.412 1.00 0.00 C ATOM 1177 CG HIS A 79 -10.289 -2.910 1.252 1.00 0.00 C ATOM 1178 ND1 HIS A 79 -9.281 -2.359 0.512 1.00 0.00 N ATOM 1179 CD2 HIS A 79 -10.576 -4.097 0.688 1.00 0.00 C ATOM 1180 CE1 HIS A 79 -8.990 -3.212 -0.479 1.00 0.00 C ATOM 1181 NE2 HIS A 79 -9.750 -4.291 -0.415 1.00 0.00 N ATOM 0 H HIS A 79 -12.696 -3.044 0.934 1.00 0.00 H new ATOM 0 HA HIS A 79 -11.746 -4.089 3.204 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -11.290 -1.270 2.129 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -10.204 -2.122 3.210 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -8.831 -1.460 0.683 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -11.328 -4.790 1.036 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -8.234 -3.040 -1.231 1.00 0.00 H new ATOM 1189 N THR A 80 -12.555 -3.278 5.219 1.00 0.00 N ATOM 1190 CA THR A 80 -13.003 -2.869 6.533 1.00 0.00 C ATOM 1191 C THR A 80 -11.792 -2.495 7.368 1.00 0.00 C ATOM 1192 O THR A 80 -11.901 -1.822 8.393 1.00 0.00 O ATOM 1193 CB THR A 80 -13.792 -3.990 7.186 1.00 0.00 C ATOM 1194 OG1 THR A 80 -12.950 -4.808 7.978 1.00 0.00 O ATOM 1195 CG2 THR A 80 -14.470 -4.866 6.166 1.00 0.00 C ATOM 0 H THR A 80 -12.149 -4.213 5.188 1.00 0.00 H new ATOM 0 HA THR A 80 -13.660 -2.003 6.452 1.00 0.00 H new ATOM 0 HB THR A 80 -14.547 -3.511 7.809 1.00 0.00 H new ATOM 0 HG1 THR A 80 -13.498 -5.420 8.513 1.00 0.00 H new ATOM 0 HG21 THR A 80 -15.024 -5.655 6.675 1.00 0.00 H new ATOM 0 HG22 THR A 80 -15.158 -4.266 5.571 1.00 0.00 H new ATOM 0 HG23 THR A 80 -13.720 -5.312 5.513 1.00 0.00 H new ATOM 1203 N ALA A 81 -10.627 -2.931 6.895 1.00 0.00 N ATOM 1204 CA ALA A 81 -9.368 -2.643 7.560 1.00 0.00 C ATOM 1205 C ALA A 81 -8.223 -2.721 6.557 1.00 0.00 C ATOM 1206 O ALA A 81 -8.255 -3.542 5.643 1.00 0.00 O ATOM 1207 CB ALA A 81 -9.145 -3.609 8.714 1.00 0.00 C ATOM 0 H ALA A 81 -10.534 -3.489 6.046 1.00 0.00 H new ATOM 0 HA ALA A 81 -9.404 -1.633 7.968 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -8.198 -3.380 9.202 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.957 -3.510 9.434 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -9.120 -4.630 8.334 1.00 0.00 H new ATOM 1213 N CYS A 82 -7.220 -1.864 6.721 1.00 0.00 N ATOM 1214 CA CYS A 82 -6.074 -1.848 5.814 1.00 0.00 C ATOM 1215 C CYS A 82 -4.767 -1.703 6.591 1.00 0.00 C ATOM 1216 O CYS A 82 -4.607 -0.777 7.387 1.00 0.00 O ATOM 1217 CB CYS A 82 -6.214 -0.710 4.798 1.00 0.00 C ATOM 1218 SG CYS A 82 -6.957 -1.219 3.211 1.00 0.00 S ATOM 0 H CYS A 82 -7.176 -1.173 7.470 1.00 0.00 H new ATOM 0 HA CYS A 82 -6.051 -2.797 5.279 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -6.823 0.081 5.235 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -5.229 -0.285 4.606 1.00 0.00 H new ATOM 1223 N HIS A 83 -3.835 -2.624 6.359 1.00 0.00 N ATOM 1224 CA HIS A 83 -2.545 -2.597 7.041 1.00 0.00 C ATOM 1225 C HIS A 83 -1.392 -2.646 6.045 1.00 0.00 C ATOM 1226 O HIS A 83 -1.130 -3.680 5.430 1.00 0.00 O ATOM 1227 CB HIS A 83 -2.432 -3.765 8.017 1.00 0.00 C ATOM 1228 CG HIS A 83 -2.357 -5.104 7.349 1.00 0.00 C ATOM 1229 ND1 HIS A 83 -2.926 -5.560 6.207 1.00 0.00 N flip ATOM 1230 CD2 HIS A 83 -1.624 -6.158 7.855 1.00 0.00 C flip ATOM 1231 CE1 HIS A 83 -2.530 -6.863 6.048 1.00 0.00 C flip ATOM 1232 NE2 HIS A 83 -1.745 -7.201 7.053 1.00 0.00 N flip ATOM 0 H HIS A 83 -3.949 -3.398 5.704 1.00 0.00 H new ATOM 0 HA HIS A 83 -2.484 -1.660 7.594 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -1.544 -3.627 8.634 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -3.291 -3.751 8.687 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -1.042 -6.134 8.765 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -2.815 -7.509 5.231 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -1.306 -8.112 7.188 1.00 0.00 H new