USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 444 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 198 LYS NZ :NH3+ -173:sc= 1.27 (180deg=1.11) USER MOD Single : A 214 SER OG : rot 180:sc= 0 USER MOD Single : A 215 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 221 LYS NZ :NH3+ 154:sc= 1.05 (180deg=0.612) USER MOD Single : A 224 HIS : no HD1:sc= -0.228 X(o=-0.23,f=-0.035) USER MOD Single : A 231 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 232 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.239) USER MOD Single : A 240 MET CE :methyl -152:sc= -0.0435 (180deg=-0.445) USER MOD Single : A 250 GLN : amide:sc= -0.289 X(o=-0.29,f=0) USER MOD Single : A 251 ASN : amide:sc= 1.26 K(o=1.3,f=-7.8!) USER MOD Single : A 254 TYR OH : rot 180:sc= 0 USER MOD Single : A 255 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 259 LYS NZ :NH3+ 170:sc= 1.28 (180deg=1.21) USER MOD ----------------------------------------------------------------- ATOM 123 N ASP A 195 -34.820 10.549 9.876 1.00 0.00 N ATOM 124 CA ASP A 195 -33.570 9.836 9.975 1.00 0.00 C ATOM 125 C ASP A 195 -32.923 9.891 8.616 1.00 0.00 C ATOM 126 O ASP A 195 -33.386 9.302 7.631 1.00 0.00 O ATOM 127 CB ASP A 195 -33.711 8.398 10.467 1.00 0.00 C ATOM 128 CG ASP A 195 -32.508 8.022 11.331 1.00 0.00 C ATOM 129 OD1 ASP A 195 -32.145 8.805 12.241 1.00 0.00 O ATOM 130 OD2 ASP A 195 -31.841 7.007 11.046 1.00 0.00 O ATOM 0 HA ASP A 195 -32.951 10.317 10.733 1.00 0.00 H new ATOM 0 HB2 ASP A 195 -34.630 8.290 11.042 1.00 0.00 H new ATOM 0 HB3 ASP A 195 -33.785 7.720 9.617 1.00 0.00 H new ATOM 135 N ALA A 196 -31.887 10.700 8.603 1.00 0.00 N ATOM 136 CA ALA A 196 -31.105 11.141 7.474 1.00 0.00 C ATOM 137 C ALA A 196 -32.009 11.803 6.437 1.00 0.00 C ATOM 138 O ALA A 196 -32.352 11.231 5.397 1.00 0.00 O ATOM 139 CB ALA A 196 -30.232 10.016 6.944 1.00 0.00 C ATOM 0 H ALA A 196 -31.538 11.105 9.472 1.00 0.00 H new ATOM 0 HA ALA A 196 -30.400 11.913 7.783 1.00 0.00 H new ATOM 0 HB1 ALA A 196 -29.653 10.375 6.093 1.00 0.00 H new ATOM 0 HB2 ALA A 196 -29.554 9.681 7.729 1.00 0.00 H new ATOM 0 HB3 ALA A 196 -30.862 9.184 6.629 1.00 0.00 H new ATOM 145 N ALA A 197 -32.503 12.982 6.795 1.00 0.00 N ATOM 146 CA ALA A 197 -33.562 13.714 6.139 1.00 0.00 C ATOM 147 C ALA A 197 -33.457 15.179 6.566 1.00 0.00 C ATOM 148 O ALA A 197 -32.359 15.678 6.804 1.00 0.00 O ATOM 149 CB ALA A 197 -34.908 13.076 6.516 1.00 0.00 C ATOM 0 H ALA A 197 -32.144 13.480 7.609 1.00 0.00 H new ATOM 0 HA ALA A 197 -33.479 13.674 5.053 1.00 0.00 H new ATOM 0 HB1 ALA A 197 -35.717 13.619 6.028 1.00 0.00 H new ATOM 0 HB2 ALA A 197 -34.921 12.036 6.191 1.00 0.00 H new ATOM 0 HB3 ALA A 197 -35.042 13.121 7.597 1.00 0.00 H new ATOM 155 N LYS A 198 -34.606 15.863 6.593 1.00 0.00 N ATOM 156 CA LYS A 198 -34.811 17.280 6.889 1.00 0.00 C ATOM 157 C LYS A 198 -33.622 18.177 6.505 1.00 0.00 C ATOM 158 O LYS A 198 -33.114 18.886 7.379 1.00 0.00 O ATOM 159 CB LYS A 198 -35.314 17.452 8.346 1.00 0.00 C ATOM 160 CG LYS A 198 -34.332 17.048 9.461 1.00 0.00 C ATOM 161 CD LYS A 198 -34.900 17.262 10.870 1.00 0.00 C ATOM 162 CE LYS A 198 -33.796 17.018 11.914 1.00 0.00 C ATOM 163 NZ LYS A 198 -34.141 17.571 13.238 1.00 0.00 N ATOM 0 H LYS A 198 -35.490 15.397 6.391 1.00 0.00 H new ATOM 0 HA LYS A 198 -35.601 17.649 6.235 1.00 0.00 H new ATOM 0 HB2 LYS A 198 -35.586 18.497 8.492 1.00 0.00 H new ATOM 0 HB3 LYS A 198 -36.225 16.866 8.464 1.00 0.00 H new ATOM 0 HG2 LYS A 198 -34.065 15.998 9.339 1.00 0.00 H new ATOM 0 HG3 LYS A 198 -33.413 17.625 9.355 1.00 0.00 H new ATOM 0 HD2 LYS A 198 -35.288 18.276 10.966 1.00 0.00 H new ATOM 0 HD3 LYS A 198 -35.735 16.583 11.043 1.00 0.00 H new ATOM 0 HE2 LYS A 198 -33.617 15.947 12.006 1.00 0.00 H new ATOM 0 HE3 LYS A 198 -32.866 17.468 11.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 198 -33.322 17.487 13.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 198 -34.401 18.573 13.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 198 -34.943 17.043 13.636 1.00 0.00 H new ATOM 177 N PRO A 199 -33.186 18.198 5.226 1.00 0.00 N ATOM 178 CA PRO A 199 -32.094 19.043 4.766 1.00 0.00 C ATOM 179 C PRO A 199 -32.540 20.509 4.769 1.00 0.00 C ATOM 180 O PRO A 199 -32.996 21.057 3.768 1.00 0.00 O ATOM 181 CB PRO A 199 -31.646 18.458 3.427 1.00 0.00 C ATOM 182 CG PRO A 199 -32.946 17.906 2.858 1.00 0.00 C ATOM 183 CD PRO A 199 -33.694 17.421 4.101 1.00 0.00 C ATOM 0 HA PRO A 199 -31.220 19.051 5.418 1.00 0.00 H new ATOM 0 HB2 PRO A 199 -31.209 19.217 2.778 1.00 0.00 H new ATOM 0 HB3 PRO A 199 -30.896 17.678 3.556 1.00 0.00 H new ATOM 0 HG2 PRO A 199 -33.508 18.671 2.323 1.00 0.00 H new ATOM 0 HG3 PRO A 199 -32.765 17.093 2.155 1.00 0.00 H new ATOM 0 HD2 PRO A 199 -34.769 17.563 3.986 1.00 0.00 H new ATOM 0 HD3 PRO A 199 -33.529 16.355 4.261 1.00 0.00 H new ATOM 191 N GLU A 200 -32.490 21.079 5.969 1.00 0.00 N ATOM 192 CA GLU A 200 -32.786 22.430 6.405 1.00 0.00 C ATOM 193 C GLU A 200 -32.346 22.484 7.878 1.00 0.00 C ATOM 194 O GLU A 200 -31.530 23.310 8.275 1.00 0.00 O ATOM 195 CB GLU A 200 -34.299 22.703 6.267 1.00 0.00 C ATOM 196 CG GLU A 200 -34.719 24.076 6.806 1.00 0.00 C ATOM 197 CD GLU A 200 -34.141 25.217 5.969 1.00 0.00 C ATOM 198 OE1 GLU A 200 -32.967 25.604 6.173 1.00 0.00 O ATOM 199 OE2 GLU A 200 -34.863 25.712 5.077 1.00 0.00 O ATOM 0 H GLU A 200 -32.198 20.517 6.768 1.00 0.00 H new ATOM 0 HA GLU A 200 -32.272 23.185 5.810 1.00 0.00 H new ATOM 0 HB2 GLU A 200 -34.580 22.631 5.216 1.00 0.00 H new ATOM 0 HB3 GLU A 200 -34.851 21.927 6.798 1.00 0.00 H new ATOM 0 HG2 GLU A 200 -35.807 24.146 6.814 1.00 0.00 H new ATOM 0 HG3 GLU A 200 -34.386 24.178 7.839 1.00 0.00 H new ATOM 206 N ASP A 201 -32.863 21.556 8.691 1.00 0.00 N ATOM 207 CA ASP A 201 -32.827 21.614 10.156 1.00 0.00 C ATOM 208 C ASP A 201 -31.808 20.650 10.763 1.00 0.00 C ATOM 209 O ASP A 201 -31.353 20.851 11.888 1.00 0.00 O ATOM 210 CB ASP A 201 -34.217 21.250 10.660 1.00 0.00 C ATOM 211 CG ASP A 201 -34.350 21.305 12.183 1.00 0.00 C ATOM 212 OD1 ASP A 201 -34.655 22.387 12.734 1.00 0.00 O ATOM 213 OD2 ASP A 201 -34.255 20.241 12.835 1.00 0.00 O ATOM 0 H ASP A 201 -33.331 20.721 8.338 1.00 0.00 H new ATOM 0 HA ASP A 201 -32.528 22.619 10.455 1.00 0.00 H new ATOM 0 HB2 ASP A 201 -34.945 21.929 10.215 1.00 0.00 H new ATOM 0 HB3 ASP A 201 -34.467 20.246 10.318 1.00 0.00 H new ATOM 218 N TRP A 202 -31.455 19.580 10.038 1.00 0.00 N ATOM 219 CA TRP A 202 -30.520 18.591 10.567 1.00 0.00 C ATOM 220 C TRP A 202 -29.086 19.089 10.628 1.00 0.00 C ATOM 221 O TRP A 202 -28.303 18.552 11.400 1.00 0.00 O ATOM 222 CB TRP A 202 -30.508 17.302 9.711 1.00 0.00 C ATOM 223 CG TRP A 202 -29.777 17.408 8.403 1.00 0.00 C ATOM 224 CD1 TRP A 202 -29.978 18.374 7.482 1.00 0.00 C ATOM 225 CD2 TRP A 202 -28.638 16.634 7.907 1.00 0.00 C ATOM 226 NE1 TRP A 202 -29.062 18.257 6.468 1.00 0.00 N ATOM 227 CE2 TRP A 202 -28.209 17.209 6.677 1.00 0.00 C ATOM 228 CE3 TRP A 202 -27.882 15.543 8.385 1.00 0.00 C ATOM 229 CZ2 TRP A 202 -27.119 16.732 5.948 1.00 0.00 C ATOM 230 CZ3 TRP A 202 -26.766 15.060 7.672 1.00 0.00 C ATOM 231 CH2 TRP A 202 -26.387 15.646 6.451 1.00 0.00 C ATOM 0 H TRP A 202 -31.799 19.383 9.098 1.00 0.00 H new ATOM 0 HA TRP A 202 -30.879 18.392 11.577 1.00 0.00 H new ATOM 0 HB2 TRP A 202 -30.057 16.501 10.297 1.00 0.00 H new ATOM 0 HB3 TRP A 202 -31.539 17.009 9.510 1.00 0.00 H new ATOM 0 HD1 TRP A 202 -30.748 19.129 7.536 1.00 0.00 H new ATOM 0 HE1 TRP A 202 -29.022 18.875 5.658 1.00 0.00 H new ATOM 0 HE3 TRP A 202 -28.163 15.069 9.314 1.00 0.00 H new ATOM 0 HZ2 TRP A 202 -26.843 17.192 5.011 1.00 0.00 H new ATOM 0 HZ3 TRP A 202 -26.196 14.232 8.067 1.00 0.00 H new ATOM 0 HH2 TRP A 202 -25.538 15.263 5.904 1.00 0.00 H new ATOM 242 N ASP A 203 -28.744 20.029 9.752 1.00 0.00 N ATOM 243 CA ASP A 203 -27.464 20.694 9.533 1.00 0.00 C ATOM 244 C ASP A 203 -26.203 19.835 9.681 1.00 0.00 C ATOM 245 O ASP A 203 -25.139 20.330 10.049 1.00 0.00 O ATOM 246 CB ASP A 203 -27.420 21.943 10.409 1.00 0.00 C ATOM 247 CG ASP A 203 -26.576 23.049 9.782 1.00 0.00 C ATOM 248 OD1 ASP A 203 -26.698 23.272 8.552 1.00 0.00 O ATOM 249 OD2 ASP A 203 -25.850 23.747 10.525 1.00 0.00 O ATOM 0 H ASP A 203 -29.443 20.385 9.100 1.00 0.00 H new ATOM 0 HA ASP A 203 -27.431 20.949 8.474 1.00 0.00 H new ATOM 0 HB2 ASP A 203 -28.434 22.308 10.572 1.00 0.00 H new ATOM 0 HB3 ASP A 203 -27.013 21.686 11.387 1.00 0.00 H new ATOM 254 N GLU A 204 -26.316 18.528 9.434 1.00 0.00 N ATOM 255 CA GLU A 204 -25.271 17.535 9.672 1.00 0.00 C ATOM 256 C GLU A 204 -24.738 17.597 11.112 1.00 0.00 C ATOM 257 O GLU A 204 -23.574 17.314 11.378 1.00 0.00 O ATOM 258 CB GLU A 204 -24.232 17.664 8.557 1.00 0.00 C ATOM 259 CG GLU A 204 -23.400 16.400 8.293 1.00 0.00 C ATOM 260 CD GLU A 204 -22.420 16.589 7.125 1.00 0.00 C ATOM 261 OE1 GLU A 204 -22.850 17.013 6.029 1.00 0.00 O ATOM 262 OE2 GLU A 204 -21.207 16.310 7.302 1.00 0.00 O ATOM 0 H GLU A 204 -27.168 18.120 9.049 1.00 0.00 H new ATOM 0 HA GLU A 204 -25.663 16.520 9.615 1.00 0.00 H new ATOM 0 HB2 GLU A 204 -24.743 17.943 7.636 1.00 0.00 H new ATOM 0 HB3 GLU A 204 -23.555 18.481 8.805 1.00 0.00 H new ATOM 0 HG2 GLU A 204 -22.845 16.137 9.193 1.00 0.00 H new ATOM 0 HG3 GLU A 204 -24.067 15.566 8.075 1.00 0.00 H new ATOM 269 N ARG A 205 -25.622 17.981 12.035 1.00 0.00 N ATOM 270 CA ARG A 205 -25.455 17.933 13.488 1.00 0.00 C ATOM 271 C ARG A 205 -26.622 17.274 14.212 1.00 0.00 C ATOM 272 O ARG A 205 -26.698 17.265 15.438 1.00 0.00 O ATOM 273 CB ARG A 205 -25.254 19.350 14.020 1.00 0.00 C ATOM 274 CG ARG A 205 -26.596 20.107 14.009 1.00 0.00 C ATOM 275 CD ARG A 205 -26.426 21.596 13.855 1.00 0.00 C ATOM 276 NE ARG A 205 -25.918 22.240 15.079 1.00 0.00 N ATOM 277 CZ ARG A 205 -24.759 22.900 15.186 1.00 0.00 C ATOM 278 NH1 ARG A 205 -23.900 22.975 14.174 1.00 0.00 N ATOM 279 NH2 ARG A 205 -24.429 23.509 16.317 1.00 0.00 N ATOM 0 H ARG A 205 -26.532 18.358 11.770 1.00 0.00 H new ATOM 0 HA ARG A 205 -24.579 17.315 13.686 1.00 0.00 H new ATOM 0 HB2 ARG A 205 -24.854 19.314 15.033 1.00 0.00 H new ATOM 0 HB3 ARG A 205 -24.523 19.878 13.407 1.00 0.00 H new ATOM 0 HG2 ARG A 205 -27.214 19.730 13.194 1.00 0.00 H new ATOM 0 HG3 ARG A 205 -27.132 19.901 14.936 1.00 0.00 H new ATOM 0 HD2 ARG A 205 -25.739 21.796 13.032 1.00 0.00 H new ATOM 0 HD3 ARG A 205 -27.384 22.041 13.586 1.00 0.00 H new ATOM 0 HE ARG A 205 -26.499 22.177 15.915 1.00 0.00 H new ATOM 0 HH11 ARG A 205 -24.117 22.522 13.286 1.00 0.00 H new ATOM 0 HH12 ARG A 205 -23.024 23.485 14.285 1.00 0.00 H new ATOM 0 HH21 ARG A 205 -25.061 23.477 17.117 1.00 0.00 H new ATOM 0 HH22 ARG A 205 -23.543 24.009 16.387 1.00 0.00 H new ATOM 293 N ALA A 206 -27.571 16.773 13.444 1.00 0.00 N ATOM 294 CA ALA A 206 -28.655 15.949 13.968 1.00 0.00 C ATOM 295 C ALA A 206 -28.101 14.624 14.533 1.00 0.00 C ATOM 296 O ALA A 206 -26.893 14.450 14.687 1.00 0.00 O ATOM 297 CB ALA A 206 -29.716 15.738 12.892 1.00 0.00 C ATOM 0 H ALA A 206 -27.616 16.924 12.436 1.00 0.00 H new ATOM 0 HA ALA A 206 -29.139 16.463 14.799 1.00 0.00 H new ATOM 0 HB1 ALA A 206 -30.522 15.122 13.291 1.00 0.00 H new ATOM 0 HB2 ALA A 206 -30.117 16.703 12.582 1.00 0.00 H new ATOM 0 HB3 ALA A 206 -29.269 15.238 12.033 1.00 0.00 H new ATOM 408 N SER A 214 -23.859 3.960 10.174 1.00 0.00 N ATOM 409 CA SER A 214 -23.317 4.592 8.993 1.00 0.00 C ATOM 410 C SER A 214 -21.805 4.542 9.113 1.00 0.00 C ATOM 411 O SER A 214 -21.228 5.314 9.878 1.00 0.00 O ATOM 412 CB SER A 214 -23.860 6.018 8.874 1.00 0.00 C ATOM 413 OG SER A 214 -23.801 6.485 7.538 1.00 0.00 O ATOM 0 HA SER A 214 -23.614 4.077 8.079 1.00 0.00 H new ATOM 0 HB2 SER A 214 -24.891 6.046 9.225 1.00 0.00 H new ATOM 0 HB3 SER A 214 -23.285 6.683 9.519 1.00 0.00 H new ATOM 0 HG SER A 214 -24.156 7.397 7.494 1.00 0.00 H new ATOM 419 N LYS A 215 -21.186 3.650 8.330 1.00 0.00 N ATOM 420 CA LYS A 215 -19.742 3.474 8.207 1.00 0.00 C ATOM 421 C LYS A 215 -19.108 3.080 9.544 1.00 0.00 C ATOM 422 O LYS A 215 -18.687 3.943 10.312 1.00 0.00 O ATOM 423 CB LYS A 215 -19.105 4.723 7.601 1.00 0.00 C ATOM 424 CG LYS A 215 -19.220 4.734 6.088 1.00 0.00 C ATOM 425 CD LYS A 215 -18.599 5.993 5.456 1.00 0.00 C ATOM 426 CE LYS A 215 -19.251 6.303 4.100 1.00 0.00 C ATOM 427 NZ LYS A 215 -18.961 7.677 3.635 1.00 0.00 N ATOM 0 H LYS A 215 -21.707 3.003 7.739 1.00 0.00 H new ATOM 0 HA LYS A 215 -19.550 2.646 7.525 1.00 0.00 H new ATOM 0 HB2 LYS A 215 -19.587 5.612 8.009 1.00 0.00 H new ATOM 0 HB3 LYS A 215 -18.054 4.771 7.886 1.00 0.00 H new ATOM 0 HG2 LYS A 215 -18.729 3.849 5.684 1.00 0.00 H new ATOM 0 HG3 LYS A 215 -20.271 4.672 5.807 1.00 0.00 H new ATOM 0 HD2 LYS A 215 -18.725 6.842 6.128 1.00 0.00 H new ATOM 0 HD3 LYS A 215 -17.527 5.848 5.324 1.00 0.00 H new ATOM 0 HE2 LYS A 215 -18.896 5.589 3.357 1.00 0.00 H new ATOM 0 HE3 LYS A 215 -20.330 6.170 4.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 215 -19.422 7.837 2.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 215 -19.323 8.362 4.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 215 -17.933 7.799 3.532 1.00 0.00 H new ATOM 441 N PRO A 216 -19.008 1.775 9.826 1.00 0.00 N ATOM 442 CA PRO A 216 -18.309 1.311 11.005 1.00 0.00 C ATOM 443 C PRO A 216 -16.807 1.508 10.786 1.00 0.00 C ATOM 444 O PRO A 216 -16.334 1.596 9.648 1.00 0.00 O ATOM 445 CB PRO A 216 -18.685 -0.167 11.107 1.00 0.00 C ATOM 446 CG PRO A 216 -18.881 -0.602 9.652 1.00 0.00 C ATOM 447 CD PRO A 216 -19.223 0.682 8.897 1.00 0.00 C ATOM 0 HA PRO A 216 -18.568 1.843 11.921 1.00 0.00 H new ATOM 0 HB2 PRO A 216 -17.900 -0.746 11.594 1.00 0.00 H new ATOM 0 HB3 PRO A 216 -19.594 -0.308 11.691 1.00 0.00 H new ATOM 0 HG2 PRO A 216 -17.978 -1.065 9.254 1.00 0.00 H new ATOM 0 HG3 PRO A 216 -19.682 -1.336 9.564 1.00 0.00 H new ATOM 0 HD2 PRO A 216 -18.593 0.793 8.015 1.00 0.00 H new ATOM 0 HD3 PRO A 216 -20.256 0.665 8.550 1.00 0.00 H new ATOM 455 N GLU A 217 -16.035 1.436 11.864 1.00 0.00 N ATOM 456 CA GLU A 217 -14.580 1.550 11.924 1.00 0.00 C ATOM 457 C GLU A 217 -13.853 0.307 11.389 1.00 0.00 C ATOM 458 O GLU A 217 -12.747 -0.041 11.824 1.00 0.00 O ATOM 459 CB GLU A 217 -14.156 1.899 13.355 1.00 0.00 C ATOM 460 CG GLU A 217 -14.332 0.768 14.384 1.00 0.00 C ATOM 461 CD GLU A 217 -15.752 0.236 14.579 1.00 0.00 C ATOM 462 OE1 GLU A 217 -16.727 1.018 14.546 1.00 0.00 O ATOM 463 OE2 GLU A 217 -15.865 -1.002 14.738 1.00 0.00 O ATOM 0 H GLU A 217 -16.439 1.285 12.789 1.00 0.00 H new ATOM 0 HA GLU A 217 -14.278 2.358 11.257 1.00 0.00 H new ATOM 0 HB2 GLU A 217 -13.108 2.199 13.344 1.00 0.00 H new ATOM 0 HB3 GLU A 217 -14.731 2.763 13.687 1.00 0.00 H new ATOM 0 HG2 GLU A 217 -13.694 -0.065 14.088 1.00 0.00 H new ATOM 0 HG3 GLU A 217 -13.966 1.123 15.347 1.00 0.00 H new ATOM 470 N ASP A 218 -14.484 -0.401 10.456 1.00 0.00 N ATOM 471 CA ASP A 218 -13.789 -1.295 9.544 1.00 0.00 C ATOM 472 C ASP A 218 -13.864 -0.831 8.095 1.00 0.00 C ATOM 473 O ASP A 218 -12.993 -1.145 7.285 1.00 0.00 O ATOM 474 CB ASP A 218 -14.362 -2.704 9.607 1.00 0.00 C ATOM 475 CG ASP A 218 -13.492 -3.634 8.760 1.00 0.00 C ATOM 476 OD1 ASP A 218 -12.253 -3.684 8.973 1.00 0.00 O ATOM 477 OD2 ASP A 218 -14.033 -4.267 7.827 1.00 0.00 O ATOM 0 H ASP A 218 -15.493 -0.368 10.314 1.00 0.00 H new ATOM 0 HA ASP A 218 -12.749 -1.288 9.869 1.00 0.00 H new ATOM 0 HB2 ASP A 218 -14.391 -3.053 10.639 1.00 0.00 H new ATOM 0 HB3 ASP A 218 -15.388 -2.710 9.239 1.00 0.00 H new ATOM 482 N TRP A 219 -14.934 -0.119 7.746 1.00 0.00 N ATOM 483 CA TRP A 219 -15.196 0.244 6.358 1.00 0.00 C ATOM 484 C TRP A 219 -14.270 1.367 5.893 1.00 0.00 C ATOM 485 O TRP A 219 -14.040 1.549 4.694 1.00 0.00 O ATOM 486 CB TRP A 219 -16.663 0.645 6.197 1.00 0.00 C ATOM 487 CG TRP A 219 -17.065 0.845 4.779 1.00 0.00 C ATOM 488 CD1 TRP A 219 -16.897 1.988 4.080 1.00 0.00 C ATOM 489 CD2 TRP A 219 -17.584 -0.139 3.840 1.00 0.00 C ATOM 490 NE1 TRP A 219 -17.275 1.777 2.774 1.00 0.00 N ATOM 491 CE2 TRP A 219 -17.763 0.507 2.588 1.00 0.00 C ATOM 492 CE3 TRP A 219 -17.899 -1.512 3.900 1.00 0.00 C ATOM 493 CZ2 TRP A 219 -18.285 -0.150 1.472 1.00 0.00 C ATOM 494 CZ3 TRP A 219 -18.370 -2.202 2.765 1.00 0.00 C ATOM 495 CH2 TRP A 219 -18.570 -1.523 1.549 1.00 0.00 C ATOM 0 H TRP A 219 -15.633 0.218 8.408 1.00 0.00 H new ATOM 0 HA TRP A 219 -14.995 -0.623 5.729 1.00 0.00 H new ATOM 0 HB2 TRP A 219 -17.294 -0.125 6.641 1.00 0.00 H new ATOM 0 HB3 TRP A 219 -16.844 1.565 6.752 1.00 0.00 H new ATOM 0 HD1 TRP A 219 -16.525 2.919 4.482 1.00 0.00 H new ATOM 0 HE1 TRP A 219 -17.202 2.477 2.036 1.00 0.00 H new ATOM 0 HE3 TRP A 219 -17.777 -2.044 4.832 1.00 0.00 H new ATOM 0 HZ2 TRP A 219 -18.468 0.393 0.557 1.00 0.00 H new ATOM 0 HZ3 TRP A 219 -18.579 -3.260 2.829 1.00 0.00 H new ATOM 0 HH2 TRP A 219 -18.939 -2.053 0.683 1.00 0.00 H new ATOM 506 N ASP A 220 -13.742 2.116 6.850 1.00 0.00 N ATOM 507 CA ASP A 220 -12.904 3.290 6.719 1.00 0.00 C ATOM 508 C ASP A 220 -11.483 2.914 6.279 1.00 0.00 C ATOM 509 O ASP A 220 -10.497 3.282 6.917 1.00 0.00 O ATOM 510 CB ASP A 220 -12.882 4.026 8.088 1.00 0.00 C ATOM 511 CG ASP A 220 -12.330 3.225 9.288 1.00 0.00 C ATOM 512 OD1 ASP A 220 -12.291 1.974 9.227 1.00 0.00 O ATOM 513 OD2 ASP A 220 -12.108 3.836 10.365 1.00 0.00 O ATOM 0 H ASP A 220 -13.908 1.891 7.831 1.00 0.00 H new ATOM 0 HA ASP A 220 -13.311 3.945 5.949 1.00 0.00 H new ATOM 0 HB2 ASP A 220 -12.287 4.933 7.979 1.00 0.00 H new ATOM 0 HB3 ASP A 220 -13.899 4.339 8.324 1.00 0.00 H new ATOM 518 N LYS A 221 -11.345 2.157 5.188 1.00 0.00 N ATOM 519 CA LYS A 221 -10.040 1.734 4.706 1.00 0.00 C ATOM 520 C LYS A 221 -9.242 2.957 4.257 1.00 0.00 C ATOM 521 O LYS A 221 -9.826 3.923 3.746 1.00 0.00 O ATOM 522 CB LYS A 221 -10.174 0.688 3.580 1.00 0.00 C ATOM 523 CG LYS A 221 -10.790 -0.644 4.058 1.00 0.00 C ATOM 524 CD LYS A 221 -9.908 -1.397 5.074 1.00 0.00 C ATOM 525 CE LYS A 221 -10.719 -2.471 5.807 1.00 0.00 C ATOM 526 NZ LYS A 221 -10.251 -2.668 7.195 1.00 0.00 N ATOM 0 H LYS A 221 -12.128 1.826 4.624 1.00 0.00 H new ATOM 0 HA LYS A 221 -9.498 1.249 5.518 1.00 0.00 H new ATOM 0 HB2 LYS A 221 -10.791 1.100 2.781 1.00 0.00 H new ATOM 0 HB3 LYS A 221 -9.190 0.494 3.154 1.00 0.00 H new ATOM 0 HG2 LYS A 221 -11.762 -0.445 4.509 1.00 0.00 H new ATOM 0 HG3 LYS A 221 -10.965 -1.285 3.194 1.00 0.00 H new ATOM 0 HD2 LYS A 221 -9.066 -1.859 4.559 1.00 0.00 H new ATOM 0 HD3 LYS A 221 -9.493 -0.693 5.795 1.00 0.00 H new ATOM 0 HE2 LYS A 221 -11.771 -2.187 5.816 1.00 0.00 H new ATOM 0 HE3 LYS A 221 -10.648 -3.413 5.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 221 -11.033 -3.032 7.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 221 -9.466 -3.350 7.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 221 -9.925 -1.760 7.583 1.00 0.00 H new ATOM 540 N PRO A 222 -7.912 2.913 4.427 1.00 0.00 N ATOM 541 CA PRO A 222 -7.068 4.041 4.107 1.00 0.00 C ATOM 542 C PRO A 222 -7.002 4.215 2.592 1.00 0.00 C ATOM 543 O PRO A 222 -7.030 3.248 1.820 1.00 0.00 O ATOM 544 CB PRO A 222 -5.711 3.743 4.745 1.00 0.00 C ATOM 545 CG PRO A 222 -5.670 2.221 4.818 1.00 0.00 C ATOM 546 CD PRO A 222 -7.128 1.817 4.984 1.00 0.00 C ATOM 0 HA PRO A 222 -7.448 4.986 4.495 1.00 0.00 H new ATOM 0 HB2 PRO A 222 -4.891 4.137 4.144 1.00 0.00 H new ATOM 0 HB3 PRO A 222 -5.626 4.193 5.734 1.00 0.00 H new ATOM 0 HG2 PRO A 222 -5.238 1.790 3.915 1.00 0.00 H new ATOM 0 HG3 PRO A 222 -5.064 1.878 5.657 1.00 0.00 H new ATOM 0 HD2 PRO A 222 -7.336 0.883 4.462 1.00 0.00 H new ATOM 0 HD3 PRO A 222 -7.372 1.657 6.034 1.00 0.00 H new ATOM 554 N GLU A 223 -6.898 5.472 2.176 1.00 0.00 N ATOM 555 CA GLU A 223 -6.793 5.890 0.788 1.00 0.00 C ATOM 556 C GLU A 223 -5.419 5.496 0.255 1.00 0.00 C ATOM 557 O GLU A 223 -5.293 5.007 -0.865 1.00 0.00 O ATOM 558 CB GLU A 223 -6.941 7.419 0.685 1.00 0.00 C ATOM 559 CG GLU A 223 -8.057 8.044 1.542 1.00 0.00 C ATOM 560 CD GLU A 223 -7.581 8.541 2.919 1.00 0.00 C ATOM 561 OE1 GLU A 223 -6.703 7.901 3.542 1.00 0.00 O ATOM 562 OE2 GLU A 223 -8.103 9.588 3.373 1.00 0.00 O ATOM 0 H GLU A 223 -6.884 6.258 2.826 1.00 0.00 H new ATOM 0 HA GLU A 223 -7.581 5.409 0.208 1.00 0.00 H new ATOM 0 HB2 GLU A 223 -5.993 7.877 0.967 1.00 0.00 H new ATOM 0 HB3 GLU A 223 -7.122 7.678 -0.358 1.00 0.00 H new ATOM 0 HG2 GLU A 223 -8.496 8.880 0.997 1.00 0.00 H new ATOM 0 HG3 GLU A 223 -8.847 7.307 1.686 1.00 0.00 H new ATOM 569 N HIS A 224 -4.396 5.717 1.078 1.00 0.00 N ATOM 570 CA HIS A 224 -2.994 5.456 0.804 1.00 0.00 C ATOM 571 C HIS A 224 -2.643 4.109 1.442 1.00 0.00 C ATOM 572 O HIS A 224 -2.704 3.966 2.668 1.00 0.00 O ATOM 573 CB HIS A 224 -2.178 6.688 1.286 1.00 0.00 C ATOM 574 CG HIS A 224 -2.360 7.870 0.356 1.00 0.00 C ATOM 575 ND1 HIS A 224 -2.454 9.183 0.752 1.00 0.00 N ATOM 576 CD2 HIS A 224 -2.441 7.849 -1.017 1.00 0.00 C ATOM 577 CE1 HIS A 224 -2.534 9.939 -0.353 1.00 0.00 C ATOM 578 NE2 HIS A 224 -2.556 9.173 -1.462 1.00 0.00 N ATOM 0 H HIS A 224 -4.538 6.107 2.010 1.00 0.00 H new ATOM 0 HA HIS A 224 -2.750 5.349 -0.253 1.00 0.00 H new ATOM 0 HB2 HIS A 224 -2.493 6.963 2.293 1.00 0.00 H new ATOM 0 HB3 HIS A 224 -1.121 6.427 1.342 1.00 0.00 H new ATOM 0 HD2 HIS A 224 -2.420 6.968 -1.642 1.00 0.00 H new ATOM 0 HE1 HIS A 224 -2.575 11.018 -0.354 1.00 0.00 H new ATOM 0 HE2 HIS A 224 -2.639 9.492 -2.427 1.00 0.00 H new ATOM 586 N ILE A 225 -2.289 3.118 0.613 1.00 0.00 N ATOM 587 CA ILE A 225 -1.753 1.827 1.049 1.00 0.00 C ATOM 588 C ILE A 225 -0.314 1.642 0.530 1.00 0.00 C ATOM 589 O ILE A 225 -0.067 1.856 -0.660 1.00 0.00 O ATOM 590 CB ILE A 225 -2.677 0.661 0.647 1.00 0.00 C ATOM 591 CG1 ILE A 225 -2.909 0.547 -0.878 1.00 0.00 C ATOM 592 CG2 ILE A 225 -4.030 0.791 1.374 1.00 0.00 C ATOM 593 CD1 ILE A 225 -3.460 -0.820 -1.294 1.00 0.00 C ATOM 0 H ILE A 225 -2.370 3.196 -0.401 1.00 0.00 H new ATOM 0 HA ILE A 225 -1.714 1.821 2.138 1.00 0.00 H new ATOM 0 HB ILE A 225 -2.167 -0.254 0.949 1.00 0.00 H new ATOM 0 HG12 ILE A 225 -3.604 1.325 -1.194 1.00 0.00 H new ATOM 0 HG13 ILE A 225 -1.969 0.728 -1.399 1.00 0.00 H new ATOM 0 HG21 ILE A 225 -4.679 -0.036 1.086 1.00 0.00 H new ATOM 0 HG22 ILE A 225 -3.868 0.766 2.452 1.00 0.00 H new ATOM 0 HG23 ILE A 225 -4.501 1.735 1.099 1.00 0.00 H new ATOM 0 HD11 ILE A 225 -3.603 -0.841 -2.374 1.00 0.00 H new ATOM 0 HD12 ILE A 225 -2.755 -1.600 -1.006 1.00 0.00 H new ATOM 0 HD13 ILE A 225 -4.415 -0.993 -0.798 1.00 0.00 H new ATOM 605 N PRO A 226 0.651 1.280 1.389 1.00 0.00 N ATOM 606 CA PRO A 226 2.044 1.168 0.992 1.00 0.00 C ATOM 607 C PRO A 226 2.166 -0.071 0.102 1.00 0.00 C ATOM 608 O PRO A 226 1.605 -1.117 0.445 1.00 0.00 O ATOM 609 CB PRO A 226 2.813 1.129 2.306 1.00 0.00 C ATOM 610 CG PRO A 226 1.865 0.389 3.250 1.00 0.00 C ATOM 611 CD PRO A 226 0.472 0.776 2.743 1.00 0.00 C ATOM 0 HA PRO A 226 2.447 1.985 0.394 1.00 0.00 H new ATOM 0 HB2 PRO A 226 3.763 0.606 2.200 1.00 0.00 H new ATOM 0 HB3 PRO A 226 3.040 2.132 2.669 1.00 0.00 H new ATOM 0 HG2 PRO A 226 2.021 -0.689 3.210 1.00 0.00 H new ATOM 0 HG3 PRO A 226 2.013 0.694 4.286 1.00 0.00 H new ATOM 0 HD2 PRO A 226 -0.197 -0.085 2.751 1.00 0.00 H new ATOM 0 HD3 PRO A 226 0.023 1.535 3.383 1.00 0.00 H new ATOM 619 N ASP A 227 2.805 0.066 -1.062 1.00 0.00 N ATOM 620 CA ASP A 227 2.692 -0.859 -2.188 1.00 0.00 C ATOM 621 C ASP A 227 2.887 -2.307 -1.737 1.00 0.00 C ATOM 622 O ASP A 227 3.966 -2.638 -1.233 1.00 0.00 O ATOM 623 CB ASP A 227 3.712 -0.541 -3.286 1.00 0.00 C ATOM 624 CG ASP A 227 3.751 -1.653 -4.338 1.00 0.00 C ATOM 625 OD1 ASP A 227 2.687 -2.211 -4.698 1.00 0.00 O ATOM 626 OD2 ASP A 227 4.867 -1.991 -4.782 1.00 0.00 O ATOM 0 H ASP A 227 3.433 0.847 -1.251 1.00 0.00 H new ATOM 0 HA ASP A 227 1.687 -0.736 -2.591 1.00 0.00 H new ATOM 0 HB2 ASP A 227 3.456 0.406 -3.762 1.00 0.00 H new ATOM 0 HB3 ASP A 227 4.701 -0.419 -2.844 1.00 0.00 H new ATOM 631 N PRO A 228 1.871 -3.177 -1.875 1.00 0.00 N ATOM 632 CA PRO A 228 2.012 -4.570 -1.504 1.00 0.00 C ATOM 633 C PRO A 228 2.910 -5.373 -2.455 1.00 0.00 C ATOM 634 O PRO A 228 3.256 -6.510 -2.129 1.00 0.00 O ATOM 635 CB PRO A 228 0.586 -5.121 -1.441 1.00 0.00 C ATOM 636 CG PRO A 228 -0.222 -4.221 -2.368 1.00 0.00 C ATOM 637 CD PRO A 228 0.510 -2.883 -2.312 1.00 0.00 C ATOM 0 HA PRO A 228 2.522 -4.660 -0.545 1.00 0.00 H new ATOM 0 HB2 PRO A 228 0.549 -6.160 -1.768 1.00 0.00 H new ATOM 0 HB3 PRO A 228 0.196 -5.093 -0.424 1.00 0.00 H new ATOM 0 HG2 PRO A 228 -0.252 -4.617 -3.383 1.00 0.00 H new ATOM 0 HG3 PRO A 228 -1.255 -4.126 -2.032 1.00 0.00 H new ATOM 0 HD2 PRO A 228 0.511 -2.400 -3.289 1.00 0.00 H new ATOM 0 HD3 PRO A 228 0.018 -2.200 -1.619 1.00 0.00 H new ATOM 645 N ASP A 229 3.298 -4.848 -3.624 1.00 0.00 N ATOM 646 CA ASP A 229 4.186 -5.599 -4.511 1.00 0.00 C ATOM 647 C ASP A 229 5.646 -5.504 -4.070 1.00 0.00 C ATOM 648 O ASP A 229 6.369 -6.504 -4.110 1.00 0.00 O ATOM 649 CB ASP A 229 4.038 -5.178 -5.976 1.00 0.00 C ATOM 650 CG ASP A 229 4.426 -6.350 -6.871 1.00 0.00 C ATOM 651 OD1 ASP A 229 3.641 -7.330 -6.890 1.00 0.00 O ATOM 652 OD2 ASP A 229 5.494 -6.298 -7.520 1.00 0.00 O ATOM 0 H ASP A 229 3.018 -3.930 -3.969 1.00 0.00 H new ATOM 0 HA ASP A 229 3.877 -6.642 -4.436 1.00 0.00 H new ATOM 0 HB2 ASP A 229 3.011 -4.874 -6.178 1.00 0.00 H new ATOM 0 HB3 ASP A 229 4.673 -4.317 -6.186 1.00 0.00 H new ATOM 657 N ALA A 230 6.094 -4.323 -3.643 1.00 0.00 N ATOM 658 CA ALA A 230 7.465 -4.060 -3.241 1.00 0.00 C ATOM 659 C ALA A 230 7.666 -4.467 -1.777 1.00 0.00 C ATOM 660 O ALA A 230 6.846 -4.127 -0.929 1.00 0.00 O ATOM 661 CB ALA A 230 7.728 -2.563 -3.443 1.00 0.00 C ATOM 0 H ALA A 230 5.491 -3.504 -3.567 1.00 0.00 H new ATOM 0 HA ALA A 230 8.167 -4.640 -3.840 1.00 0.00 H new ATOM 0 HB1 ALA A 230 8.752 -2.331 -3.150 1.00 0.00 H new ATOM 0 HB2 ALA A 230 7.584 -2.307 -4.493 1.00 0.00 H new ATOM 0 HB3 ALA A 230 7.035 -1.986 -2.830 1.00 0.00 H new ATOM 667 N LYS A 231 8.758 -5.168 -1.450 1.00 0.00 N ATOM 668 CA LYS A 231 9.067 -5.657 -0.095 1.00 0.00 C ATOM 669 C LYS A 231 10.554 -5.508 0.259 1.00 0.00 C ATOM 670 O LYS A 231 11.110 -6.365 0.943 1.00 0.00 O ATOM 671 CB LYS A 231 8.559 -7.107 0.071 1.00 0.00 C ATOM 672 CG LYS A 231 7.035 -7.123 0.228 1.00 0.00 C ATOM 673 CD LYS A 231 6.487 -8.476 0.669 1.00 0.00 C ATOM 674 CE LYS A 231 6.432 -9.460 -0.496 1.00 0.00 C ATOM 675 NZ LYS A 231 6.389 -10.850 -0.015 1.00 0.00 N ATOM 0 H LYS A 231 9.471 -5.419 -2.135 1.00 0.00 H new ATOM 0 HA LYS A 231 8.537 -5.029 0.622 1.00 0.00 H new ATOM 0 HB2 LYS A 231 8.848 -7.702 -0.795 1.00 0.00 H new ATOM 0 HB3 LYS A 231 9.026 -7.565 0.943 1.00 0.00 H new ATOM 0 HG2 LYS A 231 6.744 -6.366 0.957 1.00 0.00 H new ATOM 0 HG3 LYS A 231 6.576 -6.845 -0.721 1.00 0.00 H new ATOM 0 HD2 LYS A 231 7.114 -8.883 1.462 1.00 0.00 H new ATOM 0 HD3 LYS A 231 5.488 -8.347 1.086 1.00 0.00 H new ATOM 0 HE2 LYS A 231 5.553 -9.256 -1.107 1.00 0.00 H new ATOM 0 HE3 LYS A 231 7.304 -9.320 -1.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 231 6.352 -11.498 -0.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 231 7.241 -11.049 0.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 231 5.544 -10.987 0.575 1.00 0.00 H new ATOM 689 N LYS A 232 11.178 -4.399 -0.154 1.00 0.00 N ATOM 690 CA LYS A 232 12.584 -4.027 -0.082 1.00 0.00 C ATOM 691 C LYS A 232 13.389 -4.885 -1.051 1.00 0.00 C ATOM 692 O LYS A 232 13.435 -6.102 -0.859 1.00 0.00 O ATOM 693 CB LYS A 232 13.147 -4.045 1.341 1.00 0.00 C ATOM 694 CG LYS A 232 14.568 -3.450 1.365 1.00 0.00 C ATOM 695 CD LYS A 232 15.053 -2.999 2.747 1.00 0.00 C ATOM 696 CE LYS A 232 15.491 -4.131 3.674 1.00 0.00 C ATOM 697 NZ LYS A 232 14.370 -4.810 4.347 1.00 0.00 N ATOM 0 H LYS A 232 10.639 -3.656 -0.599 1.00 0.00 H new ATOM 0 HA LYS A 232 12.671 -2.985 -0.389 1.00 0.00 H new ATOM 0 HB2 LYS A 232 12.496 -3.475 2.004 1.00 0.00 H new ATOM 0 HB3 LYS A 232 13.168 -5.068 1.718 1.00 0.00 H new ATOM 0 HG2 LYS A 232 15.264 -4.193 0.976 1.00 0.00 H new ATOM 0 HG3 LYS A 232 14.601 -2.597 0.688 1.00 0.00 H new ATOM 0 HD2 LYS A 232 15.889 -2.311 2.616 1.00 0.00 H new ATOM 0 HD3 LYS A 232 14.253 -2.440 3.232 1.00 0.00 H new ATOM 0 HE2 LYS A 232 16.055 -4.864 3.097 1.00 0.00 H new ATOM 0 HE3 LYS A 232 16.168 -3.730 4.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 232 14.722 -5.313 5.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 232 13.661 -4.106 4.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 232 13.934 -5.491 3.693 1.00 0.00 H new ATOM 711 N PRO A 233 13.994 -4.289 -2.088 1.00 0.00 N ATOM 712 CA PRO A 233 14.732 -5.052 -3.074 1.00 0.00 C ATOM 713 C PRO A 233 15.865 -5.850 -2.424 1.00 0.00 C ATOM 714 O PRO A 233 16.402 -5.473 -1.381 1.00 0.00 O ATOM 715 CB PRO A 233 15.249 -4.048 -4.104 1.00 0.00 C ATOM 716 CG PRO A 233 14.951 -2.663 -3.552 1.00 0.00 C ATOM 717 CD PRO A 233 13.985 -2.868 -2.399 1.00 0.00 C ATOM 0 HA PRO A 233 14.095 -5.793 -3.557 1.00 0.00 H new ATOM 0 HB2 PRO A 233 16.319 -4.177 -4.267 1.00 0.00 H new ATOM 0 HB3 PRO A 233 14.759 -4.194 -5.067 1.00 0.00 H new ATOM 0 HG2 PRO A 233 15.864 -2.174 -3.213 1.00 0.00 H new ATOM 0 HG3 PRO A 233 14.513 -2.024 -4.319 1.00 0.00 H new ATOM 0 HD2 PRO A 233 14.288 -2.281 -1.532 1.00 0.00 H new ATOM 0 HD3 PRO A 233 12.982 -2.539 -2.672 1.00 0.00 H new ATOM 725 N GLU A 234 16.254 -6.953 -3.062 1.00 0.00 N ATOM 726 CA GLU A 234 17.464 -7.702 -2.716 1.00 0.00 C ATOM 727 C GLU A 234 18.718 -6.924 -3.157 1.00 0.00 C ATOM 728 O GLU A 234 19.811 -7.166 -2.658 1.00 0.00 O ATOM 729 CB GLU A 234 17.360 -9.113 -3.339 1.00 0.00 C ATOM 730 CG GLU A 234 17.863 -10.226 -2.402 1.00 0.00 C ATOM 731 CD GLU A 234 17.329 -11.615 -2.795 1.00 0.00 C ATOM 732 OE1 GLU A 234 16.085 -11.799 -2.739 1.00 0.00 O ATOM 733 OE2 GLU A 234 18.148 -12.503 -3.114 1.00 0.00 O ATOM 0 H GLU A 234 15.734 -7.357 -3.841 1.00 0.00 H new ATOM 0 HA GLU A 234 17.556 -7.823 -1.637 1.00 0.00 H new ATOM 0 HB2 GLU A 234 16.321 -9.311 -3.604 1.00 0.00 H new ATOM 0 HB3 GLU A 234 17.935 -9.138 -4.265 1.00 0.00 H new ATOM 0 HG2 GLU A 234 18.953 -10.242 -2.415 1.00 0.00 H new ATOM 0 HG3 GLU A 234 17.560 -10.000 -1.380 1.00 0.00 H new ATOM 740 N ASP A 235 18.532 -5.950 -4.053 1.00 0.00 N ATOM 741 CA ASP A 235 19.491 -4.962 -4.542 1.00 0.00 C ATOM 742 C ASP A 235 19.476 -3.643 -3.748 1.00 0.00 C ATOM 743 O ASP A 235 20.104 -2.683 -4.185 1.00 0.00 O ATOM 744 CB ASP A 235 19.233 -4.710 -6.047 1.00 0.00 C ATOM 745 CG ASP A 235 17.796 -4.282 -6.387 1.00 0.00 C ATOM 746 OD1 ASP A 235 16.919 -5.175 -6.495 1.00 0.00 O ATOM 747 OD2 ASP A 235 17.520 -3.072 -6.551 1.00 0.00 O ATOM 0 H ASP A 235 17.621 -5.824 -4.493 1.00 0.00 H new ATOM 0 HA ASP A 235 20.490 -5.374 -4.396 1.00 0.00 H new ATOM 0 HB2 ASP A 235 19.920 -3.939 -6.396 1.00 0.00 H new ATOM 0 HB3 ASP A 235 19.468 -5.620 -6.600 1.00 0.00 H new ATOM 752 N TRP A 236 18.777 -3.551 -2.606 1.00 0.00 N ATOM 753 CA TRP A 236 18.856 -2.360 -1.752 1.00 0.00 C ATOM 754 C TRP A 236 20.186 -2.278 -0.985 1.00 0.00 C ATOM 755 O TRP A 236 20.820 -3.298 -0.718 1.00 0.00 O ATOM 756 CB TRP A 236 17.690 -2.335 -0.754 1.00 0.00 C ATOM 757 CG TRP A 236 17.494 -0.996 -0.113 1.00 0.00 C ATOM 758 CD1 TRP A 236 17.820 -0.647 1.153 1.00 0.00 C ATOM 759 CD2 TRP A 236 17.057 0.229 -0.764 1.00 0.00 C ATOM 760 NE1 TRP A 236 17.580 0.703 1.328 1.00 0.00 N ATOM 761 CE2 TRP A 236 17.108 1.294 0.176 1.00 0.00 C ATOM 762 CE3 TRP A 236 16.674 0.548 -2.080 1.00 0.00 C ATOM 763 CZ2 TRP A 236 16.751 2.606 -0.167 1.00 0.00 C ATOM 764 CZ3 TRP A 236 16.337 1.864 -2.445 1.00 0.00 C ATOM 765 CH2 TRP A 236 16.374 2.895 -1.489 1.00 0.00 C ATOM 0 H TRP A 236 18.156 -4.281 -2.256 1.00 0.00 H new ATOM 0 HA TRP A 236 18.796 -1.495 -2.413 1.00 0.00 H new ATOM 0 HB2 TRP A 236 16.773 -2.623 -1.268 1.00 0.00 H new ATOM 0 HB3 TRP A 236 17.867 -3.080 0.022 1.00 0.00 H new ATOM 0 HD1 TRP A 236 18.206 -1.317 1.907 1.00 0.00 H new ATOM 0 HE1 TRP A 236 17.734 1.202 2.204 1.00 0.00 H new ATOM 0 HE3 TRP A 236 16.638 -0.233 -2.825 1.00 0.00 H new ATOM 0 HZ2 TRP A 236 16.766 3.387 0.579 1.00 0.00 H new ATOM 0 HZ3 TRP A 236 16.049 2.083 -3.462 1.00 0.00 H new ATOM 0 HH2 TRP A 236 16.114 3.905 -1.770 1.00 0.00 H new ATOM 776 N ASP A 237 20.546 -1.070 -0.537 1.00 0.00 N ATOM 777 CA ASP A 237 21.707 -0.791 0.303 1.00 0.00 C ATOM 778 C ASP A 237 21.357 0.339 1.286 1.00 0.00 C ATOM 779 O ASP A 237 21.216 1.511 0.915 1.00 0.00 O ATOM 780 CB ASP A 237 22.922 -0.444 -0.564 1.00 0.00 C ATOM 781 CG ASP A 237 24.209 -0.326 0.267 1.00 0.00 C ATOM 782 OD1 ASP A 237 24.119 0.032 1.465 1.00 0.00 O ATOM 783 OD2 ASP A 237 25.291 -0.581 -0.307 1.00 0.00 O ATOM 0 H ASP A 237 20.013 -0.230 -0.761 1.00 0.00 H new ATOM 0 HA ASP A 237 21.972 -1.677 0.881 1.00 0.00 H new ATOM 0 HB2 ASP A 237 23.053 -1.211 -1.328 1.00 0.00 H new ATOM 0 HB3 ASP A 237 22.739 0.496 -1.084 1.00 0.00 H new ATOM 788 N GLU A 238 21.163 -0.029 2.553 1.00 0.00 N ATOM 789 CA GLU A 238 20.791 0.873 3.644 1.00 0.00 C ATOM 790 C GLU A 238 21.944 1.722 4.182 1.00 0.00 C ATOM 791 O GLU A 238 21.697 2.622 4.989 1.00 0.00 O ATOM 792 CB GLU A 238 20.161 0.057 4.787 1.00 0.00 C ATOM 793 CG GLU A 238 18.637 0.113 4.798 1.00 0.00 C ATOM 794 CD GLU A 238 18.003 -1.003 5.637 1.00 0.00 C ATOM 795 OE1 GLU A 238 18.040 -0.924 6.885 1.00 0.00 O ATOM 796 OE2 GLU A 238 17.416 -1.945 5.057 1.00 0.00 O ATOM 0 H GLU A 238 21.264 -0.997 2.859 1.00 0.00 H new ATOM 0 HA GLU A 238 20.075 1.581 3.227 1.00 0.00 H new ATOM 0 HB2 GLU A 238 20.479 -0.982 4.701 1.00 0.00 H new ATOM 0 HB3 GLU A 238 20.538 0.428 5.740 1.00 0.00 H new ATOM 0 HG2 GLU A 238 18.317 1.079 5.188 1.00 0.00 H new ATOM 0 HG3 GLU A 238 18.269 0.044 3.774 1.00 0.00 H new ATOM 803 N GLU A 239 23.172 1.484 3.730 1.00 0.00 N ATOM 804 CA GLU A 239 24.317 2.344 4.032 1.00 0.00 C ATOM 805 C GLU A 239 24.674 3.234 2.833 1.00 0.00 C ATOM 806 O GLU A 239 25.510 4.130 2.976 1.00 0.00 O ATOM 807 CB GLU A 239 25.520 1.531 4.562 1.00 0.00 C ATOM 808 CG GLU A 239 25.252 0.929 5.957 1.00 0.00 C ATOM 809 CD GLU A 239 26.528 0.458 6.681 1.00 0.00 C ATOM 810 OE1 GLU A 239 27.222 1.324 7.266 1.00 0.00 O ATOM 811 OE2 GLU A 239 26.783 -0.769 6.709 1.00 0.00 O ATOM 0 H GLU A 239 23.404 0.685 3.140 1.00 0.00 H new ATOM 0 HA GLU A 239 24.030 3.015 4.842 1.00 0.00 H new ATOM 0 HB2 GLU A 239 25.750 0.729 3.861 1.00 0.00 H new ATOM 0 HB3 GLU A 239 26.398 2.175 4.609 1.00 0.00 H new ATOM 0 HG2 GLU A 239 24.748 1.673 6.574 1.00 0.00 H new ATOM 0 HG3 GLU A 239 24.570 0.085 5.854 1.00 0.00 H new ATOM 818 N MET A 240 24.013 3.058 1.679 1.00 0.00 N ATOM 819 CA MET A 240 24.293 3.828 0.471 1.00 0.00 C ATOM 820 C MET A 240 23.168 4.814 0.189 1.00 0.00 C ATOM 821 O MET A 240 23.422 6.009 0.042 1.00 0.00 O ATOM 822 CB MET A 240 24.533 2.896 -0.726 1.00 0.00 C ATOM 823 CG MET A 240 25.223 3.677 -1.854 1.00 0.00 C ATOM 824 SD MET A 240 25.838 2.720 -3.271 1.00 0.00 S ATOM 825 CE MET A 240 27.057 1.664 -2.438 1.00 0.00 C ATOM 0 H MET A 240 23.267 2.373 1.563 1.00 0.00 H new ATOM 0 HA MET A 240 25.206 4.401 0.632 1.00 0.00 H new ATOM 0 HB2 MET A 240 25.151 2.051 -0.424 1.00 0.00 H new ATOM 0 HB3 MET A 240 23.586 2.488 -1.079 1.00 0.00 H new ATOM 0 HG2 MET A 240 24.520 4.421 -2.228 1.00 0.00 H new ATOM 0 HG3 MET A 240 26.064 4.221 -1.423 1.00 0.00 H new ATOM 0 HE1 MET A 240 27.845 1.394 -3.141 1.00 0.00 H new ATOM 0 HE2 MET A 240 27.491 2.203 -1.596 1.00 0.00 H new ATOM 0 HE3 MET A 240 26.568 0.759 -2.076 1.00 0.00 H new ATOM 835 N ASP A 241 21.934 4.316 0.080 1.00 0.00 N ATOM 836 CA ASP A 241 20.746 5.141 -0.156 1.00 0.00 C ATOM 837 C ASP A 241 20.175 5.506 1.216 1.00 0.00 C ATOM 838 O ASP A 241 19.965 6.683 1.532 1.00 0.00 O ATOM 839 CB ASP A 241 19.751 4.396 -1.073 1.00 0.00 C ATOM 840 CG ASP A 241 18.670 5.297 -1.692 1.00 0.00 C ATOM 841 OD1 ASP A 241 17.991 6.031 -0.939 1.00 0.00 O ATOM 842 OD2 ASP A 241 18.506 5.291 -2.941 1.00 0.00 O ATOM 0 H ASP A 241 21.729 3.320 0.154 1.00 0.00 H new ATOM 0 HA ASP A 241 20.982 6.063 -0.686 1.00 0.00 H new ATOM 0 HB2 ASP A 241 20.307 3.911 -1.875 1.00 0.00 H new ATOM 0 HB3 ASP A 241 19.266 3.607 -0.499 1.00 0.00 H new ATOM 847 N GLY A 242 20.041 4.506 2.092 1.00 0.00 N ATOM 848 CA GLY A 242 19.508 4.652 3.437 1.00 0.00 C ATOM 849 C GLY A 242 18.286 3.786 3.617 1.00 0.00 C ATOM 850 O GLY A 242 18.046 2.873 2.840 1.00 0.00 O ATOM 0 H GLY A 242 20.310 3.547 1.872 1.00 0.00 H new ATOM 0 HA2 GLY A 242 20.268 4.376 4.168 1.00 0.00 H new ATOM 0 HA3 GLY A 242 19.252 5.695 3.622 1.00 0.00 H new ATOM 854 N GLU A 243 17.538 4.008 4.687 1.00 0.00 N ATOM 855 CA GLU A 243 16.394 3.186 5.009 1.00 0.00 C ATOM 856 C GLU A 243 15.372 3.200 3.874 1.00 0.00 C ATOM 857 O GLU A 243 14.946 4.262 3.406 1.00 0.00 O ATOM 858 CB GLU A 243 15.838 3.637 6.351 1.00 0.00 C ATOM 859 CG GLU A 243 14.645 2.751 6.727 1.00 0.00 C ATOM 860 CD GLU A 243 13.923 3.074 8.035 1.00 0.00 C ATOM 861 OE1 GLU A 243 13.670 4.259 8.330 1.00 0.00 O ATOM 862 OE2 GLU A 243 13.453 2.136 8.715 1.00 0.00 O ATOM 0 H GLU A 243 17.711 4.762 5.352 1.00 0.00 H new ATOM 0 HA GLU A 243 16.685 2.140 5.109 1.00 0.00 H new ATOM 0 HB2 GLU A 243 16.610 3.573 7.118 1.00 0.00 H new ATOM 0 HB3 GLU A 243 15.528 4.681 6.297 1.00 0.00 H new ATOM 0 HG2 GLU A 243 13.917 2.802 5.917 1.00 0.00 H new ATOM 0 HG3 GLU A 243 14.993 1.719 6.778 1.00 0.00 H new ATOM 869 N TRP A 244 14.992 2.000 3.431 1.00 0.00 N ATOM 870 CA TRP A 244 13.960 1.820 2.433 1.00 0.00 C ATOM 871 C TRP A 244 12.583 2.015 3.051 1.00 0.00 C ATOM 872 O TRP A 244 12.339 1.673 4.214 1.00 0.00 O ATOM 873 CB TRP A 244 14.047 0.404 1.853 1.00 0.00 C ATOM 874 CG TRP A 244 13.125 0.153 0.708 1.00 0.00 C ATOM 875 CD1 TRP A 244 13.273 0.651 -0.536 1.00 0.00 C ATOM 876 CD2 TRP A 244 11.870 -0.581 0.700 1.00 0.00 C ATOM 877 NE1 TRP A 244 12.182 0.302 -1.305 1.00 0.00 N ATOM 878 CE2 TRP A 244 11.288 -0.472 -0.596 1.00 0.00 C ATOM 879 CE3 TRP A 244 11.152 -1.308 1.670 1.00 0.00 C ATOM 880 CZ2 TRP A 244 10.057 -1.068 -0.906 1.00 0.00 C ATOM 881 CZ3 TRP A 244 9.950 -1.961 1.351 1.00 0.00 C ATOM 882 CH2 TRP A 244 9.408 -1.850 0.062 1.00 0.00 C ATOM 0 H TRP A 244 15.400 1.126 3.763 1.00 0.00 H new ATOM 0 HA TRP A 244 14.108 2.558 1.645 1.00 0.00 H new ATOM 0 HB2 TRP A 244 15.071 0.219 1.527 1.00 0.00 H new ATOM 0 HB3 TRP A 244 13.830 -0.314 2.644 1.00 0.00 H new ATOM 0 HD1 TRP A 244 14.116 1.233 -0.878 1.00 0.00 H new ATOM 0 HE1 TRP A 244 12.053 0.582 -2.277 1.00 0.00 H new ATOM 0 HE3 TRP A 244 11.533 -1.364 2.679 1.00 0.00 H new ATOM 0 HZ2 TRP A 244 9.613 -0.927 -1.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 244 9.442 -2.550 2.100 1.00 0.00 H new ATOM 0 HH2 TRP A 244 8.492 -2.366 -0.185 1.00 0.00 H new ATOM 893 N GLU A 245 11.645 2.445 2.219 1.00 0.00 N ATOM 894 CA GLU A 245 10.231 2.460 2.516 1.00 0.00 C ATOM 895 C GLU A 245 9.514 2.078 1.229 1.00 0.00 C ATOM 896 O GLU A 245 9.872 2.621 0.179 1.00 0.00 O ATOM 897 CB GLU A 245 9.805 3.875 2.936 1.00 0.00 C ATOM 898 CG GLU A 245 9.080 3.891 4.276 1.00 0.00 C ATOM 899 CD GLU A 245 8.086 5.050 4.298 1.00 0.00 C ATOM 900 OE1 GLU A 245 8.534 6.217 4.281 1.00 0.00 O ATOM 901 OE2 GLU A 245 6.858 4.803 4.254 1.00 0.00 O ATOM 0 H GLU A 245 11.861 2.804 1.289 1.00 0.00 H new ATOM 0 HA GLU A 245 9.991 1.772 3.327 1.00 0.00 H new ATOM 0 HB2 GLU A 245 10.686 4.514 2.995 1.00 0.00 H new ATOM 0 HB3 GLU A 245 9.155 4.298 2.170 1.00 0.00 H new ATOM 0 HG2 GLU A 245 8.559 2.947 4.432 1.00 0.00 H new ATOM 0 HG3 GLU A 245 9.798 3.997 5.090 1.00 0.00 H new ATOM 908 N PRO A 246 8.496 1.212 1.285 1.00 0.00 N ATOM 909 CA PRO A 246 7.610 1.027 0.160 1.00 0.00 C ATOM 910 C PRO A 246 6.849 2.335 -0.056 1.00 0.00 C ATOM 911 O PRO A 246 6.296 2.877 0.912 1.00 0.00 O ATOM 912 CB PRO A 246 6.650 -0.101 0.512 1.00 0.00 C ATOM 913 CG PRO A 246 6.880 -0.378 2.004 1.00 0.00 C ATOM 914 CD PRO A 246 7.998 0.543 2.467 1.00 0.00 C ATOM 0 HA PRO A 246 8.150 0.772 -0.752 1.00 0.00 H new ATOM 0 HB2 PRO A 246 5.617 0.188 0.320 1.00 0.00 H new ATOM 0 HB3 PRO A 246 6.849 -0.989 -0.088 1.00 0.00 H new ATOM 0 HG2 PRO A 246 5.969 -0.194 2.574 1.00 0.00 H new ATOM 0 HG3 PRO A 246 7.151 -1.422 2.164 1.00 0.00 H new ATOM 0 HD2 PRO A 246 7.629 1.265 3.195 1.00 0.00 H new ATOM 0 HD3 PRO A 246 8.791 -0.024 2.955 1.00 0.00 H new ATOM 922 N PRO A 247 6.777 2.830 -1.299 1.00 0.00 N ATOM 923 CA PRO A 247 5.956 3.979 -1.607 1.00 0.00 C ATOM 924 C PRO A 247 4.504 3.624 -1.374 1.00 0.00 C ATOM 925 O PRO A 247 4.092 2.495 -1.650 1.00 0.00 O ATOM 926 CB PRO A 247 6.193 4.295 -3.079 1.00 0.00 C ATOM 927 CG PRO A 247 6.662 2.957 -3.667 1.00 0.00 C ATOM 928 CD PRO A 247 7.334 2.242 -2.502 1.00 0.00 C ATOM 0 HA PRO A 247 6.203 4.837 -0.982 1.00 0.00 H new ATOM 0 HB2 PRO A 247 5.283 4.649 -3.564 1.00 0.00 H new ATOM 0 HB3 PRO A 247 6.945 5.074 -3.205 1.00 0.00 H new ATOM 0 HG2 PRO A 247 5.824 2.379 -4.057 1.00 0.00 H new ATOM 0 HG3 PRO A 247 7.356 3.108 -4.493 1.00 0.00 H new ATOM 0 HD2 PRO A 247 7.141 1.170 -2.538 1.00 0.00 H new ATOM 0 HD3 PRO A 247 8.416 2.372 -2.536 1.00 0.00 H new ATOM 936 N VAL A 248 3.706 4.584 -0.926 1.00 0.00 N ATOM 937 CA VAL A 248 2.285 4.428 -1.014 1.00 0.00 C ATOM 938 C VAL A 248 1.804 4.854 -2.393 1.00 0.00 C ATOM 939 O VAL A 248 2.380 5.736 -3.037 1.00 0.00 O ATOM 940 CB VAL A 248 1.622 5.133 0.164 1.00 0.00 C ATOM 941 CG1 VAL A 248 2.081 6.564 0.450 1.00 0.00 C ATOM 942 CG2 VAL A 248 0.137 5.012 0.046 1.00 0.00 C ATOM 0 H VAL A 248 4.023 5.459 -0.508 1.00 0.00 H new ATOM 0 HA VAL A 248 1.989 3.383 -0.925 1.00 0.00 H new ATOM 0 HB VAL A 248 1.968 4.608 1.054 1.00 0.00 H new ATOM 0 HG11 VAL A 248 1.537 6.956 1.309 1.00 0.00 H new ATOM 0 HG12 VAL A 248 3.150 6.567 0.665 1.00 0.00 H new ATOM 0 HG13 VAL A 248 1.884 7.190 -0.420 1.00 0.00 H new ATOM 0 HG21 VAL A 248 -0.337 5.516 0.888 1.00 0.00 H new ATOM 0 HG22 VAL A 248 -0.193 5.473 -0.885 1.00 0.00 H new ATOM 0 HG23 VAL A 248 -0.144 3.959 0.049 1.00 0.00 H new ATOM 952 N ILE A 249 0.724 4.190 -2.787 1.00 0.00 N ATOM 953 CA ILE A 249 -0.055 4.310 -3.990 1.00 0.00 C ATOM 954 C ILE A 249 -1.512 4.470 -3.538 1.00 0.00 C ATOM 955 O ILE A 249 -1.860 4.249 -2.369 1.00 0.00 O ATOM 956 CB ILE A 249 0.200 3.053 -4.863 1.00 0.00 C ATOM 957 CG1 ILE A 249 -0.560 1.805 -4.347 1.00 0.00 C ATOM 958 CG2 ILE A 249 1.713 2.753 -4.943 1.00 0.00 C ATOM 959 CD1 ILE A 249 -0.495 0.608 -5.292 1.00 0.00 C ATOM 0 H ILE A 249 0.334 3.465 -2.185 1.00 0.00 H new ATOM 0 HA ILE A 249 0.210 5.168 -4.608 1.00 0.00 H new ATOM 0 HB ILE A 249 -0.183 3.276 -5.859 1.00 0.00 H new ATOM 0 HG12 ILE A 249 -0.149 1.515 -3.380 1.00 0.00 H new ATOM 0 HG13 ILE A 249 -1.605 2.070 -4.183 1.00 0.00 H new ATOM 0 HG21 ILE A 249 1.876 1.869 -5.559 1.00 0.00 H new ATOM 0 HG22 ILE A 249 2.230 3.604 -5.386 1.00 0.00 H new ATOM 0 HG23 ILE A 249 2.102 2.574 -3.941 1.00 0.00 H new ATOM 0 HD11 ILE A 249 -1.050 -0.226 -4.862 1.00 0.00 H new ATOM 0 HD12 ILE A 249 -0.933 0.879 -6.253 1.00 0.00 H new ATOM 0 HD13 ILE A 249 0.545 0.315 -5.437 1.00 0.00 H new ATOM 971 N GLN A 250 -2.390 4.824 -4.466 1.00 0.00 N ATOM 972 CA GLN A 250 -3.809 4.882 -4.185 1.00 0.00 C ATOM 973 C GLN A 250 -4.358 3.457 -4.073 1.00 0.00 C ATOM 974 O GLN A 250 -4.170 2.643 -4.976 1.00 0.00 O ATOM 975 CB GLN A 250 -4.484 5.669 -5.309 1.00 0.00 C ATOM 976 CG GLN A 250 -6.003 5.798 -5.161 1.00 0.00 C ATOM 977 CD GLN A 250 -6.441 6.827 -4.121 1.00 0.00 C ATOM 978 OE1 GLN A 250 -6.548 8.010 -4.416 1.00 0.00 O ATOM 979 NE2 GLN A 250 -6.809 6.431 -2.914 1.00 0.00 N ATOM 0 H GLN A 250 -2.139 5.075 -5.422 1.00 0.00 H new ATOM 0 HA GLN A 250 -4.008 5.386 -3.239 1.00 0.00 H new ATOM 0 HB2 GLN A 250 -4.048 6.667 -5.351 1.00 0.00 H new ATOM 0 HB3 GLN A 250 -4.263 5.185 -6.260 1.00 0.00 H new ATOM 0 HG2 GLN A 250 -6.430 6.068 -6.127 1.00 0.00 H new ATOM 0 HG3 GLN A 250 -6.415 4.826 -4.891 1.00 0.00 H new ATOM 0 HE21 GLN A 250 -6.726 5.449 -2.652 1.00 0.00 H new ATOM 0 HE22 GLN A 250 -7.176 7.108 -2.245 1.00 0.00 H new ATOM 988 N ASN A 251 -5.093 3.194 -2.988 1.00 0.00 N ATOM 989 CA ASN A 251 -5.874 1.985 -2.734 1.00 0.00 C ATOM 990 C ASN A 251 -6.740 1.676 -3.954 1.00 0.00 C ATOM 991 O ASN A 251 -7.699 2.420 -4.187 1.00 0.00 O ATOM 992 CB ASN A 251 -6.747 2.175 -1.479 1.00 0.00 C ATOM 993 CG ASN A 251 -7.328 0.881 -0.939 1.00 0.00 C ATOM 994 OD1 ASN A 251 -7.628 -0.050 -1.680 1.00 0.00 O ATOM 995 ND2 ASN A 251 -7.500 0.792 0.371 1.00 0.00 N ATOM 0 H ASN A 251 -5.161 3.861 -2.219 1.00 0.00 H new ATOM 0 HA ASN A 251 -5.202 1.145 -2.557 1.00 0.00 H new ATOM 0 HB2 ASN A 251 -6.149 2.648 -0.700 1.00 0.00 H new ATOM 0 HB3 ASN A 251 -7.562 2.859 -1.714 1.00 0.00 H new ATOM 0 HD21 ASN A 251 -7.887 -0.060 0.778 1.00 0.00 H new ATOM 0 HD22 ASN A 251 -7.245 1.575 0.973 1.00 0.00 H new ATOM 1002 N PRO A 252 -6.416 0.644 -4.754 1.00 0.00 N ATOM 1003 CA PRO A 252 -7.105 0.396 -6.006 1.00 0.00 C ATOM 1004 C PRO A 252 -8.493 -0.209 -5.775 1.00 0.00 C ATOM 1005 O PRO A 252 -9.250 -0.350 -6.733 1.00 0.00 O ATOM 1006 CB PRO A 252 -6.196 -0.550 -6.789 1.00 0.00 C ATOM 1007 CG PRO A 252 -5.514 -1.361 -5.693 1.00 0.00 C ATOM 1008 CD PRO A 252 -5.351 -0.336 -4.569 1.00 0.00 C ATOM 0 HA PRO A 252 -7.284 1.320 -6.556 1.00 0.00 H new ATOM 0 HB2 PRO A 252 -6.765 -1.187 -7.467 1.00 0.00 H new ATOM 0 HB3 PRO A 252 -5.473 -0.004 -7.396 1.00 0.00 H new ATOM 0 HG2 PRO A 252 -6.121 -2.211 -5.381 1.00 0.00 H new ATOM 0 HG3 PRO A 252 -4.554 -1.758 -6.021 1.00 0.00 H new ATOM 0 HD2 PRO A 252 -5.427 -0.814 -3.592 1.00 0.00 H new ATOM 0 HD3 PRO A 252 -4.372 0.140 -4.615 1.00 0.00 H new ATOM 1016 N GLU A 253 -8.855 -0.563 -4.534 1.00 0.00 N ATOM 1017 CA GLU A 253 -10.177 -1.095 -4.234 1.00 0.00 C ATOM 1018 C GLU A 253 -11.010 -0.149 -3.361 1.00 0.00 C ATOM 1019 O GLU A 253 -12.222 -0.220 -3.530 1.00 0.00 O ATOM 1020 CB GLU A 253 -10.085 -2.544 -3.712 1.00 0.00 C ATOM 1021 CG GLU A 253 -10.089 -2.652 -2.186 1.00 0.00 C ATOM 1022 CD GLU A 253 -9.627 -4.018 -1.686 1.00 0.00 C ATOM 1023 OE1 GLU A 253 -10.438 -4.970 -1.584 1.00 0.00 O ATOM 1024 OE2 GLU A 253 -8.449 -4.140 -1.284 1.00 0.00 O ATOM 0 H GLU A 253 -8.242 -0.487 -3.723 1.00 0.00 H new ATOM 0 HA GLU A 253 -10.740 -1.152 -5.166 1.00 0.00 H new ATOM 0 HB2 GLU A 253 -10.922 -3.117 -4.110 1.00 0.00 H new ATOM 0 HB3 GLU A 253 -9.174 -3.002 -4.097 1.00 0.00 H new ATOM 0 HG2 GLU A 253 -9.441 -1.880 -1.771 1.00 0.00 H new ATOM 0 HG3 GLU A 253 -11.095 -2.456 -1.816 1.00 0.00 H new ATOM 1031 N TYR A 254 -10.413 0.681 -2.468 1.00 0.00 N ATOM 1032 CA TYR A 254 -11.056 1.785 -1.723 1.00 0.00 C ATOM 1033 C TYR A 254 -12.577 1.616 -1.583 1.00 0.00 C ATOM 1034 O TYR A 254 -13.318 2.090 -2.451 1.00 0.00 O ATOM 1035 CB TYR A 254 -10.684 3.163 -2.296 1.00 0.00 C ATOM 1036 CG TYR A 254 -11.316 4.307 -1.516 1.00 0.00 C ATOM 1037 CD1 TYR A 254 -10.792 4.665 -0.260 1.00 0.00 C ATOM 1038 CD2 TYR A 254 -12.471 4.954 -1.999 1.00 0.00 C ATOM 1039 CE1 TYR A 254 -11.419 5.664 0.507 1.00 0.00 C ATOM 1040 CE2 TYR A 254 -13.124 5.939 -1.229 1.00 0.00 C ATOM 1041 CZ TYR A 254 -12.588 6.301 0.030 1.00 0.00 C ATOM 1042 OH TYR A 254 -13.236 7.195 0.829 1.00 0.00 O ATOM 0 H TYR A 254 -9.423 0.591 -2.240 1.00 0.00 H new ATOM 0 HA TYR A 254 -10.653 1.734 -0.712 1.00 0.00 H new ATOM 0 HB2 TYR A 254 -9.600 3.276 -2.287 1.00 0.00 H new ATOM 0 HB3 TYR A 254 -11.002 3.218 -3.337 1.00 0.00 H new ATOM 0 HD1 TYR A 254 -9.907 4.172 0.116 1.00 0.00 H new ATOM 0 HD2 TYR A 254 -12.861 4.692 -2.971 1.00 0.00 H new ATOM 0 HE1 TYR A 254 -11.006 5.946 1.464 1.00 0.00 H new ATOM 0 HE2 TYR A 254 -14.023 6.412 -1.596 1.00 0.00 H new ATOM 0 HH TYR A 254 -14.020 7.547 0.358 1.00 0.00 H new ATOM 1052 N LYS A 255 -13.047 0.936 -0.526 1.00 0.00 N ATOM 1053 CA LYS A 255 -14.460 0.538 -0.407 1.00 0.00 C ATOM 1054 C LYS A 255 -15.386 1.716 -0.691 1.00 0.00 C ATOM 1055 O LYS A 255 -16.308 1.605 -1.505 1.00 0.00 O ATOM 1056 CB LYS A 255 -14.817 -0.043 0.958 1.00 0.00 C ATOM 1057 CG LYS A 255 -14.021 -1.282 1.328 1.00 0.00 C ATOM 1058 CD LYS A 255 -14.666 -1.918 2.560 1.00 0.00 C ATOM 1059 CE LYS A 255 -13.767 -2.963 3.205 1.00 0.00 C ATOM 1060 NZ LYS A 255 -13.568 -4.177 2.386 1.00 0.00 N ATOM 0 H LYS A 255 -12.467 0.649 0.262 1.00 0.00 H new ATOM 0 HA LYS A 255 -14.600 -0.246 -1.151 1.00 0.00 H new ATOM 0 HB2 LYS A 255 -14.657 0.720 1.720 1.00 0.00 H new ATOM 0 HB3 LYS A 255 -15.879 -0.288 0.971 1.00 0.00 H new ATOM 0 HG2 LYS A 255 -14.010 -1.988 0.498 1.00 0.00 H new ATOM 0 HG3 LYS A 255 -12.984 -1.019 1.536 1.00 0.00 H new ATOM 0 HD2 LYS A 255 -14.898 -1.141 3.289 1.00 0.00 H new ATOM 0 HD3 LYS A 255 -15.611 -2.380 2.275 1.00 0.00 H new ATOM 0 HE2 LYS A 255 -12.796 -2.514 3.411 1.00 0.00 H new ATOM 0 HE3 LYS A 255 -14.195 -3.252 4.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 255 -12.946 -4.839 2.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 255 -14.487 -4.631 2.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 255 -13.131 -3.916 1.479 1.00 0.00 H new ATOM 1074 N GLY A 256 -15.093 2.854 -0.064 1.00 0.00 N ATOM 1075 CA GLY A 256 -15.596 4.161 -0.426 1.00 0.00 C ATOM 1076 C GLY A 256 -17.081 4.271 -0.176 1.00 0.00 C ATOM 1077 O GLY A 256 -17.470 4.580 0.951 1.00 0.00 O ATOM 0 H GLY A 256 -14.471 2.882 0.744 1.00 0.00 H new ATOM 0 HA2 GLY A 256 -15.072 4.925 0.148 1.00 0.00 H new ATOM 0 HA3 GLY A 256 -15.388 4.353 -1.478 1.00 0.00 H new ATOM 1081 N GLU A 257 -17.898 4.048 -1.208 1.00 0.00 N ATOM 1082 CA GLU A 257 -19.348 4.123 -1.130 1.00 0.00 C ATOM 1083 C GLU A 257 -19.835 3.028 -0.181 1.00 0.00 C ATOM 1084 O GLU A 257 -19.975 1.868 -0.565 1.00 0.00 O ATOM 1085 CB GLU A 257 -19.970 4.048 -2.540 1.00 0.00 C ATOM 1086 CG GLU A 257 -21.443 3.614 -2.720 1.00 0.00 C ATOM 1087 CD GLU A 257 -22.519 4.479 -2.051 1.00 0.00 C ATOM 1088 OE1 GLU A 257 -22.234 5.573 -1.512 1.00 0.00 O ATOM 1089 OE2 GLU A 257 -23.701 4.047 -2.056 1.00 0.00 O ATOM 0 H GLU A 257 -17.557 3.806 -2.138 1.00 0.00 H new ATOM 0 HA GLU A 257 -19.671 5.081 -0.723 1.00 0.00 H new ATOM 0 HB2 GLU A 257 -19.867 5.035 -2.991 1.00 0.00 H new ATOM 0 HB3 GLU A 257 -19.358 3.363 -3.127 1.00 0.00 H new ATOM 0 HG2 GLU A 257 -21.656 3.578 -3.788 1.00 0.00 H new ATOM 0 HG3 GLU A 257 -21.544 2.597 -2.340 1.00 0.00 H new ATOM 1096 N TRP A 258 -20.017 3.394 1.083 1.00 0.00 N ATOM 1097 CA TRP A 258 -20.591 2.550 2.119 1.00 0.00 C ATOM 1098 C TRP A 258 -22.076 2.446 1.885 1.00 0.00 C ATOM 1099 O TRP A 258 -22.699 3.395 1.380 1.00 0.00 O ATOM 1100 CB TRP A 258 -20.365 3.171 3.492 1.00 0.00 C ATOM 1101 CG TRP A 258 -21.169 2.579 4.607 1.00 0.00 C ATOM 1102 CD1 TRP A 258 -20.811 1.569 5.428 1.00 0.00 C ATOM 1103 CD2 TRP A 258 -22.546 2.903 4.952 1.00 0.00 C ATOM 1104 NE1 TRP A 258 -21.873 1.281 6.263 1.00 0.00 N ATOM 1105 CE2 TRP A 258 -22.989 2.019 5.969 1.00 0.00 C ATOM 1106 CE3 TRP A 258 -23.496 3.789 4.417 1.00 0.00 C ATOM 1107 CZ2 TRP A 258 -24.300 2.029 6.463 1.00 0.00 C ATOM 1108 CZ3 TRP A 258 -24.823 3.773 4.859 1.00 0.00 C ATOM 1109 CH2 TRP A 258 -25.216 2.941 5.924 1.00 0.00 C ATOM 0 H TRP A 258 -19.759 4.320 1.424 1.00 0.00 H new ATOM 0 HA TRP A 258 -20.118 1.568 2.083 1.00 0.00 H new ATOM 0 HB2 TRP A 258 -19.308 3.082 3.742 1.00 0.00 H new ATOM 0 HB3 TRP A 258 -20.589 4.236 3.431 1.00 0.00 H new ATOM 0 HD1 TRP A 258 -19.854 1.069 5.431 1.00 0.00 H new ATOM 0 HE1 TRP A 258 -21.831 0.594 7.016 1.00 0.00 H new ATOM 0 HE3 TRP A 258 -23.198 4.492 3.654 1.00 0.00 H new ATOM 0 HZ2 TRP A 258 -24.599 1.346 7.245 1.00 0.00 H new ATOM 0 HZ3 TRP A 258 -25.554 4.406 4.378 1.00 0.00 H new ATOM 0 HH2 TRP A 258 -26.218 3.005 6.323 1.00 0.00 H new ATOM 1120 N LYS A 259 -22.658 1.325 2.305 1.00 0.00 N ATOM 1121 CA LYS A 259 -24.077 1.111 2.172 1.00 0.00 C ATOM 1122 C LYS A 259 -24.566 0.230 3.316 1.00 0.00 C ATOM 1123 O LYS A 259 -23.802 -0.596 3.826 1.00 0.00 O ATOM 1124 CB LYS A 259 -24.368 0.491 0.783 1.00 0.00 C ATOM 1125 CG LYS A 259 -23.426 0.933 -0.368 1.00 0.00 C ATOM 1126 CD LYS A 259 -23.659 0.152 -1.668 1.00 0.00 C ATOM 1127 CE LYS A 259 -24.891 0.602 -2.464 1.00 0.00 C ATOM 1128 NZ LYS A 259 -24.612 1.784 -3.308 1.00 0.00 N ATOM 0 H LYS A 259 -22.155 0.552 2.742 1.00 0.00 H new ATOM 0 HA LYS A 259 -24.618 2.055 2.234 1.00 0.00 H new ATOM 0 HB2 LYS A 259 -24.316 -0.594 0.873 1.00 0.00 H new ATOM 0 HB3 LYS A 259 -25.392 0.739 0.504 1.00 0.00 H new ATOM 0 HG2 LYS A 259 -23.569 1.996 -0.559 1.00 0.00 H new ATOM 0 HG3 LYS A 259 -22.391 0.802 -0.053 1.00 0.00 H new ATOM 0 HD2 LYS A 259 -22.777 0.251 -2.300 1.00 0.00 H new ATOM 0 HD3 LYS A 259 -23.763 -0.906 -1.428 1.00 0.00 H new ATOM 0 HE2 LYS A 259 -25.234 -0.219 -3.094 1.00 0.00 H new ATOM 0 HE3 LYS A 259 -25.702 0.834 -1.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 259 -25.413 1.949 -3.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 259 -24.476 2.619 -2.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 259 -23.750 1.617 -3.866 1.00 0.00 H new ATOM 1142 N PRO A 260 -25.833 0.362 3.730 1.00 0.00 N ATOM 1143 CA PRO A 260 -26.400 -0.516 4.730 1.00 0.00 C ATOM 1144 C PRO A 260 -26.781 -1.836 4.056 1.00 0.00 C ATOM 1145 O PRO A 260 -27.934 -2.057 3.674 1.00 0.00 O ATOM 1146 CB PRO A 260 -27.601 0.227 5.279 1.00 0.00 C ATOM 1147 CG PRO A 260 -28.085 1.085 4.107 1.00 0.00 C ATOM 1148 CD PRO A 260 -26.827 1.324 3.269 1.00 0.00 C ATOM 0 HA PRO A 260 -25.715 -0.763 5.541 1.00 0.00 H new ATOM 0 HB2 PRO A 260 -28.376 -0.462 5.614 1.00 0.00 H new ATOM 0 HB3 PRO A 260 -27.330 0.842 6.137 1.00 0.00 H new ATOM 0 HG2 PRO A 260 -28.856 0.573 3.531 1.00 0.00 H new ATOM 0 HG3 PRO A 260 -28.517 2.024 4.453 1.00 0.00 H new ATOM 0 HD2 PRO A 260 -27.036 1.187 2.208 1.00 0.00 H new ATOM 0 HD3 PRO A 260 -26.466 2.345 3.394 1.00 0.00 H new ATOM 1156 N ARG A 261 -25.783 -2.679 3.817 1.00 0.00 N ATOM 1157 CA ARG A 261 -25.897 -3.974 3.195 1.00 0.00 C ATOM 1158 C ARG A 261 -24.615 -4.686 3.579 1.00 0.00 C ATOM 1159 O ARG A 261 -24.612 -5.258 4.691 1.00 0.00 O ATOM 1160 CB ARG A 261 -26.117 -3.751 1.695 1.00 0.00 C ATOM 1161 CG ARG A 261 -26.332 -5.040 0.903 1.00 0.00 C ATOM 1162 CD ARG A 261 -27.730 -5.645 1.074 1.00 0.00 C ATOM 1163 NE ARG A 261 -27.894 -6.817 0.197 1.00 0.00 N ATOM 1164 CZ ARG A 261 -29.028 -7.235 -0.378 1.00 0.00 C ATOM 1165 NH1 ARG A 261 -30.196 -6.684 -0.076 1.00 0.00 N ATOM 1166 NH2 ARG A 261 -28.994 -8.227 -1.261 1.00 0.00 N ATOM 0 H ARG A 261 -24.821 -2.455 4.070 1.00 0.00 H new ATOM 0 HA ARG A 261 -26.737 -4.592 3.511 1.00 0.00 H new ATOM 0 HB2 ARG A 261 -26.982 -3.103 1.557 1.00 0.00 H new ATOM 0 HB3 ARG A 261 -25.255 -3.224 1.286 1.00 0.00 H new ATOM 0 HG2 ARG A 261 -26.160 -4.839 -0.154 1.00 0.00 H new ATOM 0 HG3 ARG A 261 -25.588 -5.774 1.213 1.00 0.00 H new ATOM 0 HD2 ARG A 261 -27.882 -5.937 2.113 1.00 0.00 H new ATOM 0 HD3 ARG A 261 -28.488 -4.898 0.838 1.00 0.00 H new ATOM 0 HE ARG A 261 -27.056 -7.367 0.008 1.00 0.00 H new ATOM 0 HH11 ARG A 261 -30.242 -5.927 0.606 1.00 0.00 H new ATOM 0 HH12 ARG A 261 -31.049 -7.017 -0.526 1.00 0.00 H new ATOM 0 HH21 ARG A 261 -28.105 -8.668 -1.499 1.00 0.00 H new ATOM 0 HH22 ARG A 261 -29.856 -8.548 -1.701 1.00 0.00 H new