USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 420 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 Set 1.1: A 416 THR OG1 : rot 180:sc= 0.256 USER MOD Set 1.2: A 419 MET CE :methyl -131:sc=-0.00458 (180deg=-0.202) USER MOD Set 2.1: A 411 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.125) USER MOD Set 2.2: A 413 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Set 3.1: A 402 ASN : amide:sc= 1.61 K(o=2.8,f=-6.2!) USER MOD Set 3.2: A 405 LYS NZ :NH3+ -167:sc= 1.23 (180deg=-0.165) USER MOD Set 4.1: A 393 SER OG : rot -114:sc= 0.816 USER MOD Set 4.2: A 397 LYS NZ :NH3+ -179:sc= 0.299 (180deg=-0.592) USER MOD Set 4.3: A 398 TYR OH : rot 125:sc= 0.434 USER MOD Set 4.4: A 409 HIS : no HE2:sc= -0.116 K(o=2.2,f=0.39) USER MOD Set 4.5: A 410 TYR OH : rot 60:sc= 0.775 USER MOD Single : A 389 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 390 ASN : amide:sc= 1.99 K(o=2,f=-4.9!) USER MOD Single : A 404 SER OG : rot 180:sc= 0.0222 USER MOD Single : A 414 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 417 SER OG : rot 180:sc= 0 USER MOD Single : A 421 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.06) USER MOD Single : A 426 THR OG1 : rot 71:sc= 0.952 USER MOD Single : A 427 MET CE :methyl -171:sc= 0 (180deg=-0.0908) USER MOD Single : A 428 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0103) USER MOD Single : A 429 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 186 N TRP A 383 -24.274 3.798 -0.982 1.00 0.00 N ATOM 187 CA TRP A 383 -22.908 3.425 -1.318 1.00 0.00 C ATOM 188 C TRP A 383 -22.720 1.916 -1.168 1.00 0.00 C ATOM 189 O TRP A 383 -22.533 1.412 -0.061 1.00 0.00 O ATOM 190 CB TRP A 383 -21.863 4.229 -0.536 1.00 0.00 C ATOM 191 CG TRP A 383 -21.413 5.482 -1.203 1.00 0.00 C ATOM 192 CD1 TRP A 383 -21.915 6.722 -1.032 1.00 0.00 C ATOM 193 CD2 TRP A 383 -20.342 5.605 -2.173 1.00 0.00 C ATOM 194 NE1 TRP A 383 -21.223 7.613 -1.832 1.00 0.00 N ATOM 195 CE2 TRP A 383 -20.240 6.973 -2.559 1.00 0.00 C ATOM 196 CE3 TRP A 383 -19.448 4.690 -2.762 1.00 0.00 C ATOM 197 CZ2 TRP A 383 -19.288 7.409 -3.492 1.00 0.00 C ATOM 198 CZ3 TRP A 383 -18.494 5.116 -3.696 1.00 0.00 C ATOM 199 CH2 TRP A 383 -18.416 6.469 -4.063 1.00 0.00 C ATOM 0 HA TRP A 383 -22.741 3.683 -2.364 1.00 0.00 H new ATOM 0 HB2 TRP A 383 -22.276 4.482 0.441 1.00 0.00 H new ATOM 0 HB3 TRP A 383 -20.994 3.595 -0.360 1.00 0.00 H new ATOM 0 HD1 TRP A 383 -22.731 6.979 -0.373 1.00 0.00 H new ATOM 0 HE1 TRP A 383 -21.414 8.614 -1.879 1.00 0.00 H new ATOM 0 HE3 TRP A 383 -19.498 3.646 -2.490 1.00 0.00 H new ATOM 0 HZ2 TRP A 383 -19.227 8.452 -3.767 1.00 0.00 H new ATOM 0 HZ3 TRP A 383 -17.815 4.400 -4.136 1.00 0.00 H new ATOM 0 HH2 TRP A 383 -17.682 6.788 -4.788 1.00 0.00 H new ATOM 210 N LEU A 384 -22.776 1.197 -2.296 1.00 0.00 N ATOM 211 CA LEU A 384 -22.629 -0.249 -2.316 1.00 0.00 C ATOM 212 C LEU A 384 -21.148 -0.642 -2.320 1.00 0.00 C ATOM 213 O LEU A 384 -20.287 0.123 -2.751 1.00 0.00 O ATOM 214 CB LEU A 384 -23.349 -0.845 -3.538 1.00 0.00 C ATOM 215 CG LEU A 384 -24.889 -0.801 -3.516 1.00 0.00 C ATOM 216 CD1 LEU A 384 -25.484 -1.571 -2.332 1.00 0.00 C ATOM 217 CD2 LEU A 384 -25.474 0.615 -3.576 1.00 0.00 C ATOM 0 H LEU A 384 -22.925 1.609 -3.217 1.00 0.00 H new ATOM 0 HA LEU A 384 -23.087 -0.653 -1.413 1.00 0.00 H new ATOM 0 HB2 LEU A 384 -23.005 -0.318 -4.428 1.00 0.00 H new ATOM 0 HB3 LEU A 384 -23.039 -1.885 -3.644 1.00 0.00 H new ATOM 0 HG LEU A 384 -25.183 -1.304 -4.437 1.00 0.00 H new ATOM 0 HD11 LEU A 384 -26.572 -1.507 -2.366 1.00 0.00 H new ATOM 0 HD12 LEU A 384 -25.180 -2.616 -2.388 1.00 0.00 H new ATOM 0 HD13 LEU A 384 -25.124 -1.138 -1.399 1.00 0.00 H new ATOM 0 HD21 LEU A 384 -26.562 0.560 -3.556 1.00 0.00 H new ATOM 0 HD22 LEU A 384 -25.124 1.190 -2.719 1.00 0.00 H new ATOM 0 HD23 LEU A 384 -25.152 1.103 -4.496 1.00 0.00 H new ATOM 229 N TRP A 385 -20.873 -1.860 -1.839 1.00 0.00 N ATOM 230 CA TRP A 385 -19.540 -2.444 -1.756 1.00 0.00 C ATOM 231 C TRP A 385 -18.798 -2.361 -3.093 1.00 0.00 C ATOM 232 O TRP A 385 -17.600 -2.093 -3.121 1.00 0.00 O ATOM 233 CB TRP A 385 -19.652 -3.901 -1.284 1.00 0.00 C ATOM 234 CG TRP A 385 -20.439 -4.818 -2.178 1.00 0.00 C ATOM 235 CD1 TRP A 385 -21.755 -5.095 -2.054 1.00 0.00 C ATOM 236 CD2 TRP A 385 -19.981 -5.577 -3.337 1.00 0.00 C ATOM 237 NE1 TRP A 385 -22.150 -5.966 -3.048 1.00 0.00 N ATOM 238 CE2 TRP A 385 -21.092 -6.296 -3.869 1.00 0.00 C ATOM 239 CE3 TRP A 385 -18.743 -5.733 -3.998 1.00 0.00 C ATOM 240 CZ2 TRP A 385 -20.979 -7.124 -4.997 1.00 0.00 C ATOM 241 CZ3 TRP A 385 -18.618 -6.559 -5.130 1.00 0.00 C ATOM 242 CH2 TRP A 385 -19.733 -7.255 -5.629 1.00 0.00 C ATOM 0 H TRP A 385 -21.600 -2.482 -1.487 1.00 0.00 H new ATOM 0 HA TRP A 385 -18.957 -1.872 -1.034 1.00 0.00 H new ATOM 0 HB2 TRP A 385 -18.646 -4.306 -1.174 1.00 0.00 H new ATOM 0 HB3 TRP A 385 -20.109 -3.909 -0.294 1.00 0.00 H new ATOM 0 HD1 TRP A 385 -22.403 -4.694 -1.289 1.00 0.00 H new ATOM 0 HE1 TRP A 385 -23.100 -6.320 -3.161 1.00 0.00 H new ATOM 0 HE3 TRP A 385 -17.875 -5.208 -3.627 1.00 0.00 H new ATOM 0 HZ2 TRP A 385 -21.841 -7.654 -5.374 1.00 0.00 H new ATOM 0 HZ3 TRP A 385 -17.660 -6.659 -5.618 1.00 0.00 H new ATOM 0 HH2 TRP A 385 -19.631 -7.889 -6.497 1.00 0.00 H new ATOM 253 N GLU A 386 -19.514 -2.595 -4.199 1.00 0.00 N ATOM 254 CA GLU A 386 -18.965 -2.553 -5.545 1.00 0.00 C ATOM 255 C GLU A 386 -18.382 -1.160 -5.795 1.00 0.00 C ATOM 256 O GLU A 386 -17.230 -1.019 -6.198 1.00 0.00 O ATOM 257 CB GLU A 386 -20.078 -2.955 -6.526 1.00 0.00 C ATOM 258 CG GLU A 386 -19.591 -3.265 -7.951 1.00 0.00 C ATOM 259 CD GLU A 386 -19.332 -2.031 -8.812 1.00 0.00 C ATOM 260 OE1 GLU A 386 -20.014 -1.009 -8.582 1.00 0.00 O ATOM 261 OE2 GLU A 386 -18.483 -2.145 -9.723 1.00 0.00 O ATOM 0 H GLU A 386 -20.508 -2.822 -4.175 1.00 0.00 H new ATOM 0 HA GLU A 386 -18.145 -3.258 -5.686 1.00 0.00 H new ATOM 0 HB2 GLU A 386 -20.592 -3.832 -6.133 1.00 0.00 H new ATOM 0 HB3 GLU A 386 -20.811 -2.150 -6.573 1.00 0.00 H new ATOM 0 HG2 GLU A 386 -18.673 -3.849 -7.889 1.00 0.00 H new ATOM 0 HG3 GLU A 386 -20.333 -3.890 -8.448 1.00 0.00 H new ATOM 268 N GLU A 387 -19.178 -0.124 -5.523 1.00 0.00 N ATOM 269 CA GLU A 387 -18.784 1.265 -5.677 1.00 0.00 C ATOM 270 C GLU A 387 -17.576 1.568 -4.789 1.00 0.00 C ATOM 271 O GLU A 387 -16.623 2.208 -5.234 1.00 0.00 O ATOM 272 CB GLU A 387 -19.970 2.178 -5.343 1.00 0.00 C ATOM 273 CG GLU A 387 -21.212 1.775 -6.140 1.00 0.00 C ATOM 274 CD GLU A 387 -22.325 2.782 -5.940 1.00 0.00 C ATOM 275 OE1 GLU A 387 -22.878 2.834 -4.817 1.00 0.00 O ATOM 276 OE2 GLU A 387 -22.597 3.509 -6.917 1.00 0.00 O ATOM 0 H GLU A 387 -20.133 -0.237 -5.183 1.00 0.00 H new ATOM 0 HA GLU A 387 -18.493 1.451 -6.711 1.00 0.00 H new ATOM 0 HB2 GLU A 387 -20.185 2.125 -4.276 1.00 0.00 H new ATOM 0 HB3 GLU A 387 -19.711 3.213 -5.565 1.00 0.00 H new ATOM 0 HG2 GLU A 387 -20.964 1.705 -7.199 1.00 0.00 H new ATOM 0 HG3 GLU A 387 -21.548 0.787 -5.825 1.00 0.00 H new ATOM 283 N ASP A 388 -17.601 1.100 -3.535 1.00 0.00 N ATOM 284 CA ASP A 388 -16.494 1.307 -2.614 1.00 0.00 C ATOM 285 C ASP A 388 -15.214 0.706 -3.197 1.00 0.00 C ATOM 286 O ASP A 388 -14.188 1.375 -3.209 1.00 0.00 O ATOM 287 CB ASP A 388 -16.805 0.734 -1.227 1.00 0.00 C ATOM 288 CG ASP A 388 -17.889 1.526 -0.507 1.00 0.00 C ATOM 289 OD1 ASP A 388 -17.731 2.760 -0.389 1.00 0.00 O ATOM 290 OD2 ASP A 388 -18.857 0.891 -0.039 1.00 0.00 O ATOM 0 H ASP A 388 -18.382 0.575 -3.141 1.00 0.00 H new ATOM 0 HA ASP A 388 -16.344 2.379 -2.485 1.00 0.00 H new ATOM 0 HB2 ASP A 388 -17.122 -0.304 -1.327 1.00 0.00 H new ATOM 0 HB3 ASP A 388 -15.897 0.733 -0.624 1.00 0.00 H new ATOM 295 N LYS A 389 -15.256 -0.533 -3.704 1.00 0.00 N ATOM 296 CA LYS A 389 -14.095 -1.176 -4.313 1.00 0.00 C ATOM 297 C LYS A 389 -13.542 -0.289 -5.435 1.00 0.00 C ATOM 298 O LYS A 389 -12.332 -0.056 -5.503 1.00 0.00 O ATOM 299 CB LYS A 389 -14.463 -2.575 -4.825 1.00 0.00 C ATOM 300 CG LYS A 389 -14.762 -3.561 -3.683 1.00 0.00 C ATOM 301 CD LYS A 389 -13.509 -4.219 -3.086 1.00 0.00 C ATOM 302 CE LYS A 389 -12.927 -5.296 -4.013 1.00 0.00 C ATOM 303 NZ LYS A 389 -11.799 -6.010 -3.386 1.00 0.00 N ATOM 0 H LYS A 389 -16.095 -1.113 -3.701 1.00 0.00 H new ATOM 0 HA LYS A 389 -13.314 -1.300 -3.562 1.00 0.00 H new ATOM 0 HB2 LYS A 389 -15.335 -2.503 -5.475 1.00 0.00 H new ATOM 0 HB3 LYS A 389 -13.644 -2.963 -5.431 1.00 0.00 H new ATOM 0 HG2 LYS A 389 -15.296 -3.035 -2.892 1.00 0.00 H new ATOM 0 HG3 LYS A 389 -15.428 -4.340 -4.054 1.00 0.00 H new ATOM 0 HD2 LYS A 389 -12.754 -3.456 -2.898 1.00 0.00 H new ATOM 0 HD3 LYS A 389 -13.758 -4.665 -2.123 1.00 0.00 H new ATOM 0 HE2 LYS A 389 -13.708 -6.010 -4.275 1.00 0.00 H new ATOM 0 HE3 LYS A 389 -12.593 -4.834 -4.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 389 -11.434 -6.728 -4.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 389 -11.043 -5.333 -3.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 389 -12.123 -6.473 -2.513 1.00 0.00 H new ATOM 317 N ASN A 390 -14.429 0.229 -6.297 1.00 0.00 N ATOM 318 CA ASN A 390 -14.044 1.130 -7.377 1.00 0.00 C ATOM 319 C ASN A 390 -13.361 2.376 -6.799 1.00 0.00 C ATOM 320 O ASN A 390 -12.371 2.837 -7.361 1.00 0.00 O ATOM 321 CB ASN A 390 -15.252 1.523 -8.243 1.00 0.00 C ATOM 322 CG ASN A 390 -15.649 0.442 -9.249 1.00 0.00 C ATOM 323 OD1 ASN A 390 -15.175 0.425 -10.384 1.00 0.00 O ATOM 324 ND2 ASN A 390 -16.536 -0.458 -8.840 1.00 0.00 N ATOM 0 H ASN A 390 -15.429 0.032 -6.260 1.00 0.00 H new ATOM 0 HA ASN A 390 -13.340 0.606 -8.023 1.00 0.00 H new ATOM 0 HB2 ASN A 390 -16.102 1.736 -7.594 1.00 0.00 H new ATOM 0 HB3 ASN A 390 -15.022 2.443 -8.780 1.00 0.00 H new ATOM 0 HD21 ASN A 390 -16.845 -1.194 -9.475 1.00 0.00 H new ATOM 0 HD22 ASN A 390 -16.908 -0.413 -7.891 1.00 0.00 H new ATOM 331 N LEU A 391 -13.870 2.917 -5.683 1.00 0.00 N ATOM 332 CA LEU A 391 -13.310 4.095 -5.024 1.00 0.00 C ATOM 333 C LEU A 391 -11.901 3.822 -4.493 1.00 0.00 C ATOM 334 O LEU A 391 -10.998 4.625 -4.722 1.00 0.00 O ATOM 335 CB LEU A 391 -14.243 4.572 -3.900 1.00 0.00 C ATOM 336 CG LEU A 391 -13.833 5.923 -3.295 1.00 0.00 C ATOM 337 CD1 LEU A 391 -13.764 7.032 -4.348 1.00 0.00 C ATOM 338 CD2 LEU A 391 -14.846 6.304 -2.206 1.00 0.00 C ATOM 0 H LEU A 391 -14.692 2.541 -5.211 1.00 0.00 H new ATOM 0 HA LEU A 391 -13.228 4.891 -5.765 1.00 0.00 H new ATOM 0 HB2 LEU A 391 -15.258 4.651 -4.290 1.00 0.00 H new ATOM 0 HB3 LEU A 391 -14.262 3.820 -3.111 1.00 0.00 H new ATOM 0 HG LEU A 391 -12.834 5.818 -2.873 1.00 0.00 H new ATOM 0 HD11 LEU A 391 -13.470 7.968 -3.872 1.00 0.00 H new ATOM 0 HD12 LEU A 391 -13.030 6.766 -5.109 1.00 0.00 H new ATOM 0 HD13 LEU A 391 -14.742 7.153 -4.813 1.00 0.00 H new ATOM 0 HD21 LEU A 391 -14.566 7.262 -1.768 1.00 0.00 H new ATOM 0 HD22 LEU A 391 -15.840 6.382 -2.645 1.00 0.00 H new ATOM 0 HD23 LEU A 391 -14.852 5.538 -1.430 1.00 0.00 H new ATOM 350 N ARG A 392 -11.717 2.695 -3.792 1.00 0.00 N ATOM 351 CA ARG A 392 -10.434 2.288 -3.229 1.00 0.00 C ATOM 352 C ARG A 392 -9.391 2.270 -4.345 1.00 0.00 C ATOM 353 O ARG A 392 -8.346 2.908 -4.235 1.00 0.00 O ATOM 354 CB ARG A 392 -10.552 0.918 -2.533 1.00 0.00 C ATOM 355 CG ARG A 392 -11.570 0.889 -1.377 1.00 0.00 C ATOM 356 CD ARG A 392 -11.051 1.404 -0.035 1.00 0.00 C ATOM 357 NE ARG A 392 -10.211 0.424 0.662 1.00 0.00 N ATOM 358 CZ ARG A 392 -9.862 0.532 1.955 1.00 0.00 C ATOM 359 NH1 ARG A 392 -10.338 1.532 2.706 1.00 0.00 N ATOM 360 NH2 ARG A 392 -9.022 -0.350 2.509 1.00 0.00 N ATOM 0 H ARG A 392 -12.470 2.034 -3.600 1.00 0.00 H new ATOM 0 HA ARG A 392 -10.121 3.001 -2.466 1.00 0.00 H new ATOM 0 HB2 ARG A 392 -10.836 0.169 -3.273 1.00 0.00 H new ATOM 0 HB3 ARG A 392 -9.573 0.631 -2.149 1.00 0.00 H new ATOM 0 HG2 ARG A 392 -12.438 1.483 -1.664 1.00 0.00 H new ATOM 0 HG3 ARG A 392 -11.915 -0.136 -1.245 1.00 0.00 H new ATOM 0 HD2 ARG A 392 -10.478 2.317 -0.198 1.00 0.00 H new ATOM 0 HD3 ARG A 392 -11.897 1.668 0.600 1.00 0.00 H new ATOM 0 HE ARG A 392 -9.874 -0.383 0.137 1.00 0.00 H new ATOM 0 HH11 ARG A 392 -10.971 2.220 2.298 1.00 0.00 H new ATOM 0 HH12 ARG A 392 -10.068 1.606 3.687 1.00 0.00 H new ATOM 0 HH21 ARG A 392 -8.641 -1.112 1.949 1.00 0.00 H new ATOM 0 HH22 ARG A 392 -8.763 -0.260 3.491 1.00 0.00 H new ATOM 374 N SER A 393 -9.700 1.552 -5.431 1.00 0.00 N ATOM 375 CA SER A 393 -8.838 1.459 -6.598 1.00 0.00 C ATOM 376 C SER A 393 -8.592 2.854 -7.183 1.00 0.00 C ATOM 377 O SER A 393 -7.455 3.226 -7.472 1.00 0.00 O ATOM 378 CB SER A 393 -9.504 0.543 -7.631 1.00 0.00 C ATOM 379 OG SER A 393 -8.629 0.319 -8.717 1.00 0.00 O ATOM 0 H SER A 393 -10.564 1.017 -5.518 1.00 0.00 H new ATOM 0 HA SER A 393 -7.872 1.039 -6.316 1.00 0.00 H new ATOM 0 HB2 SER A 393 -9.771 -0.407 -7.168 1.00 0.00 H new ATOM 0 HB3 SER A 393 -10.429 0.996 -7.987 1.00 0.00 H new ATOM 0 HG SER A 393 -9.005 0.721 -9.528 1.00 0.00 H new ATOM 385 N GLY A 394 -9.679 3.615 -7.354 1.00 0.00 N ATOM 386 CA GLY A 394 -9.698 4.955 -7.900 1.00 0.00 C ATOM 387 C GLY A 394 -8.698 5.888 -7.228 1.00 0.00 C ATOM 388 O GLY A 394 -7.768 6.350 -7.883 1.00 0.00 O ATOM 0 H GLY A 394 -10.610 3.286 -7.099 1.00 0.00 H new ATOM 0 HA2 GLY A 394 -9.483 4.909 -8.968 1.00 0.00 H new ATOM 0 HA3 GLY A 394 -10.700 5.370 -7.795 1.00 0.00 H new ATOM 392 N VAL A 395 -8.882 6.177 -5.935 1.00 0.00 N ATOM 393 CA VAL A 395 -7.984 7.076 -5.222 1.00 0.00 C ATOM 394 C VAL A 395 -6.577 6.491 -5.133 1.00 0.00 C ATOM 395 O VAL A 395 -5.608 7.224 -5.300 1.00 0.00 O ATOM 396 CB VAL A 395 -8.525 7.460 -3.834 1.00 0.00 C ATOM 397 CG1 VAL A 395 -7.568 8.471 -3.184 1.00 0.00 C ATOM 398 CG2 VAL A 395 -9.912 8.104 -3.919 1.00 0.00 C ATOM 0 H VAL A 395 -9.642 5.801 -5.368 1.00 0.00 H new ATOM 0 HA VAL A 395 -7.927 7.998 -5.801 1.00 0.00 H new ATOM 0 HB VAL A 395 -8.601 6.546 -3.245 1.00 0.00 H new ATOM 0 HG11 VAL A 395 -7.945 8.748 -2.200 1.00 0.00 H new ATOM 0 HG12 VAL A 395 -6.580 8.022 -3.081 1.00 0.00 H new ATOM 0 HG13 VAL A 395 -7.499 9.361 -3.810 1.00 0.00 H new ATOM 0 HG21 VAL A 395 -10.257 8.360 -2.917 1.00 0.00 H new ATOM 0 HG22 VAL A 395 -9.857 9.008 -4.525 1.00 0.00 H new ATOM 0 HG23 VAL A 395 -10.611 7.403 -4.375 1.00 0.00 H new ATOM 408 N ARG A 396 -6.437 5.185 -4.875 1.00 0.00 N ATOM 409 CA ARG A 396 -5.114 4.582 -4.778 1.00 0.00 C ATOM 410 C ARG A 396 -4.298 4.794 -6.059 1.00 0.00 C ATOM 411 O ARG A 396 -3.090 5.012 -5.978 1.00 0.00 O ATOM 412 CB ARG A 396 -5.236 3.096 -4.414 1.00 0.00 C ATOM 413 CG ARG A 396 -3.860 2.463 -4.162 1.00 0.00 C ATOM 414 CD ARG A 396 -4.009 1.035 -3.620 1.00 0.00 C ATOM 415 NE ARG A 396 -2.699 0.403 -3.383 1.00 0.00 N ATOM 416 CZ ARG A 396 -1.903 0.623 -2.323 1.00 0.00 C ATOM 417 NH1 ARG A 396 -2.266 1.483 -1.364 1.00 0.00 N ATOM 418 NH2 ARG A 396 -0.732 -0.021 -2.223 1.00 0.00 N ATOM 0 H ARG A 396 -7.214 4.539 -4.733 1.00 0.00 H new ATOM 0 HA ARG A 396 -4.567 5.082 -3.979 1.00 0.00 H new ATOM 0 HB2 ARG A 396 -5.856 2.988 -3.524 1.00 0.00 H new ATOM 0 HB3 ARG A 396 -5.741 2.563 -5.220 1.00 0.00 H new ATOM 0 HG2 ARG A 396 -3.287 2.447 -5.089 1.00 0.00 H new ATOM 0 HG3 ARG A 396 -3.300 3.070 -3.451 1.00 0.00 H new ATOM 0 HD2 ARG A 396 -4.577 1.056 -2.690 1.00 0.00 H new ATOM 0 HD3 ARG A 396 -4.580 0.435 -4.328 1.00 0.00 H new ATOM 0 HE ARG A 396 -2.368 -0.259 -4.085 1.00 0.00 H new ATOM 0 HH11 ARG A 396 -3.155 1.979 -1.433 1.00 0.00 H new ATOM 0 HH12 ARG A 396 -1.654 1.642 -0.564 1.00 0.00 H new ATOM 0 HH21 ARG A 396 -0.447 -0.676 -2.951 1.00 0.00 H new ATOM 0 HH22 ARG A 396 -0.126 0.144 -1.419 1.00 0.00 H new ATOM 432 N LYS A 397 -4.939 4.721 -7.233 1.00 0.00 N ATOM 433 CA LYS A 397 -4.268 4.869 -8.521 1.00 0.00 C ATOM 434 C LYS A 397 -4.187 6.310 -9.044 1.00 0.00 C ATOM 435 O LYS A 397 -3.176 6.661 -9.647 1.00 0.00 O ATOM 436 CB LYS A 397 -4.933 3.939 -9.546 1.00 0.00 C ATOM 437 CG LYS A 397 -4.702 2.466 -9.165 1.00 0.00 C ATOM 438 CD LYS A 397 -5.463 1.445 -10.022 1.00 0.00 C ATOM 439 CE LYS A 397 -5.182 1.543 -11.529 1.00 0.00 C ATOM 440 NZ LYS A 397 -6.066 2.524 -12.183 1.00 0.00 N ATOM 0 H LYS A 397 -5.943 4.557 -7.311 1.00 0.00 H new ATOM 0 HA LYS A 397 -3.228 4.582 -8.365 1.00 0.00 H new ATOM 0 HB2 LYS A 397 -6.002 4.145 -9.593 1.00 0.00 H new ATOM 0 HB3 LYS A 397 -4.527 4.132 -10.539 1.00 0.00 H new ATOM 0 HG2 LYS A 397 -3.635 2.252 -9.234 1.00 0.00 H new ATOM 0 HG3 LYS A 397 -4.988 2.327 -8.122 1.00 0.00 H new ATOM 0 HD2 LYS A 397 -5.207 0.442 -9.682 1.00 0.00 H new ATOM 0 HD3 LYS A 397 -6.532 1.575 -9.855 1.00 0.00 H new ATOM 0 HE2 LYS A 397 -4.142 1.827 -11.688 1.00 0.00 H new ATOM 0 HE3 LYS A 397 -5.319 0.565 -11.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 397 -5.860 2.552 -13.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 397 -7.058 2.248 -12.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 397 -5.904 3.465 -11.772 1.00 0.00 H new ATOM 454 N TYR A 398 -5.231 7.132 -8.867 1.00 0.00 N ATOM 455 CA TYR A 398 -5.290 8.501 -9.396 1.00 0.00 C ATOM 456 C TYR A 398 -5.046 9.603 -8.360 1.00 0.00 C ATOM 457 O TYR A 398 -4.824 10.750 -8.746 1.00 0.00 O ATOM 458 CB TYR A 398 -6.633 8.705 -10.112 1.00 0.00 C ATOM 459 CG TYR A 398 -7.040 7.579 -11.051 1.00 0.00 C ATOM 460 CD1 TYR A 398 -6.079 6.883 -11.810 1.00 0.00 C ATOM 461 CD2 TYR A 398 -8.396 7.223 -11.161 1.00 0.00 C ATOM 462 CE1 TYR A 398 -6.471 5.836 -12.660 1.00 0.00 C ATOM 463 CE2 TYR A 398 -8.791 6.180 -12.011 1.00 0.00 C ATOM 464 CZ TYR A 398 -7.828 5.485 -12.760 1.00 0.00 C ATOM 465 OH TYR A 398 -8.199 4.469 -13.589 1.00 0.00 O ATOM 0 H TYR A 398 -6.066 6.862 -8.347 1.00 0.00 H new ATOM 0 HA TYR A 398 -4.461 8.599 -10.096 1.00 0.00 H new ATOM 0 HB2 TYR A 398 -7.413 8.831 -9.361 1.00 0.00 H new ATOM 0 HB3 TYR A 398 -6.587 9.633 -10.681 1.00 0.00 H new ATOM 0 HD1 TYR A 398 -5.036 7.156 -11.738 1.00 0.00 H new ATOM 0 HD2 TYR A 398 -9.139 7.757 -10.587 1.00 0.00 H new ATOM 0 HE1 TYR A 398 -5.730 5.301 -13.236 1.00 0.00 H new ATOM 0 HE2 TYR A 398 -9.834 5.912 -12.089 1.00 0.00 H new ATOM 0 HH TYR A 398 -8.702 3.799 -13.081 1.00 0.00 H new ATOM 475 N GLY A 399 -5.079 9.280 -7.066 1.00 0.00 N ATOM 476 CA GLY A 399 -4.856 10.238 -5.995 1.00 0.00 C ATOM 477 C GLY A 399 -6.105 11.059 -5.673 1.00 0.00 C ATOM 478 O GLY A 399 -7.127 10.961 -6.352 1.00 0.00 O ATOM 0 H GLY A 399 -5.264 8.333 -6.734 1.00 0.00 H new ATOM 0 HA2 GLY A 399 -4.533 9.708 -5.099 1.00 0.00 H new ATOM 0 HA3 GLY A 399 -4.046 10.911 -6.277 1.00 0.00 H new ATOM 482 N GLU A 400 -6.007 11.881 -4.619 1.00 0.00 N ATOM 483 CA GLU A 400 -7.080 12.752 -4.160 1.00 0.00 C ATOM 484 C GLU A 400 -7.394 13.803 -5.227 1.00 0.00 C ATOM 485 O GLU A 400 -6.596 14.034 -6.139 1.00 0.00 O ATOM 486 CB GLU A 400 -6.648 13.483 -2.876 1.00 0.00 C ATOM 487 CG GLU A 400 -6.221 12.576 -1.713 1.00 0.00 C ATOM 488 CD GLU A 400 -7.350 11.774 -1.080 1.00 0.00 C ATOM 489 OE1 GLU A 400 -8.528 12.147 -1.295 1.00 0.00 O ATOM 490 OE2 GLU A 400 -7.009 10.824 -0.345 1.00 0.00 O ATOM 0 H GLU A 400 -5.160 11.955 -4.056 1.00 0.00 H new ATOM 0 HA GLU A 400 -7.961 12.141 -3.966 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -5.819 14.148 -3.118 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -7.473 14.111 -2.541 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -5.459 11.884 -2.072 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -5.755 13.191 -0.943 1.00 0.00 H new ATOM 497 N GLY A 401 -8.554 14.460 -5.112 1.00 0.00 N ATOM 498 CA GLY A 401 -8.964 15.517 -6.029 1.00 0.00 C ATOM 499 C GLY A 401 -9.393 15.035 -7.417 1.00 0.00 C ATOM 500 O GLY A 401 -10.281 15.638 -8.018 1.00 0.00 O ATOM 0 H GLY A 401 -9.234 14.269 -4.376 1.00 0.00 H new ATOM 0 HA2 GLY A 401 -9.791 16.067 -5.580 1.00 0.00 H new ATOM 0 HA3 GLY A 401 -8.138 16.219 -6.143 1.00 0.00 H new ATOM 504 N ASN A 402 -8.777 13.968 -7.938 1.00 0.00 N ATOM 505 CA ASN A 402 -9.041 13.397 -9.254 1.00 0.00 C ATOM 506 C ASN A 402 -10.347 12.592 -9.280 1.00 0.00 C ATOM 507 O ASN A 402 -10.404 11.489 -9.824 1.00 0.00 O ATOM 508 CB ASN A 402 -7.825 12.554 -9.675 1.00 0.00 C ATOM 509 CG ASN A 402 -6.607 13.419 -10.002 1.00 0.00 C ATOM 510 OD1 ASN A 402 -6.328 13.670 -11.175 1.00 0.00 O ATOM 511 ND2 ASN A 402 -5.877 13.882 -8.985 1.00 0.00 N ATOM 0 H ASN A 402 -8.052 13.461 -7.430 1.00 0.00 H new ATOM 0 HA ASN A 402 -9.183 14.201 -9.976 1.00 0.00 H new ATOM 0 HB2 ASN A 402 -7.571 11.860 -8.873 1.00 0.00 H new ATOM 0 HB3 ASN A 402 -8.086 11.953 -10.546 1.00 0.00 H new ATOM 0 HD21 ASN A 402 -5.059 14.463 -9.167 1.00 0.00 H new ATOM 0 HD22 ASN A 402 -6.137 13.654 -8.025 1.00 0.00 H new ATOM 518 N TRP A 403 -11.415 13.160 -8.711 1.00 0.00 N ATOM 519 CA TRP A 403 -12.743 12.574 -8.648 1.00 0.00 C ATOM 520 C TRP A 403 -13.281 12.328 -10.058 1.00 0.00 C ATOM 521 O TRP A 403 -14.015 11.369 -10.285 1.00 0.00 O ATOM 522 CB TRP A 403 -13.650 13.500 -7.833 1.00 0.00 C ATOM 523 CG TRP A 403 -13.087 13.923 -6.506 1.00 0.00 C ATOM 524 CD1 TRP A 403 -12.886 15.200 -6.113 1.00 0.00 C ATOM 525 CD2 TRP A 403 -12.640 13.092 -5.390 1.00 0.00 C ATOM 526 NE1 TRP A 403 -12.351 15.225 -4.841 1.00 0.00 N ATOM 527 CE2 TRP A 403 -12.177 13.949 -4.349 1.00 0.00 C ATOM 528 CE3 TRP A 403 -12.577 11.703 -5.147 1.00 0.00 C ATOM 529 CZ2 TRP A 403 -11.682 13.454 -3.131 1.00 0.00 C ATOM 530 CZ3 TRP A 403 -12.081 11.196 -3.932 1.00 0.00 C ATOM 531 CH2 TRP A 403 -11.632 12.068 -2.926 1.00 0.00 C ATOM 0 H TRP A 403 -11.368 14.077 -8.266 1.00 0.00 H new ATOM 0 HA TRP A 403 -12.708 11.604 -8.152 1.00 0.00 H new ATOM 0 HB2 TRP A 403 -13.861 14.392 -8.424 1.00 0.00 H new ATOM 0 HB3 TRP A 403 -14.602 12.997 -7.664 1.00 0.00 H new ATOM 0 HD1 TRP A 403 -13.111 16.073 -6.707 1.00 0.00 H new ATOM 0 HE1 TRP A 403 -12.115 16.077 -4.331 1.00 0.00 H new ATOM 0 HE3 TRP A 403 -12.916 11.016 -5.908 1.00 0.00 H new ATOM 0 HZ2 TRP A 403 -11.344 14.133 -2.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 403 -12.045 10.129 -3.771 1.00 0.00 H new ATOM 0 HH2 TRP A 403 -11.249 11.672 -1.997 1.00 0.00 H new ATOM 542 N SER A 404 -12.891 13.186 -11.006 1.00 0.00 N ATOM 543 CA SER A 404 -13.260 13.087 -12.405 1.00 0.00 C ATOM 544 C SER A 404 -12.714 11.776 -12.977 1.00 0.00 C ATOM 545 O SER A 404 -13.476 10.973 -13.508 1.00 0.00 O ATOM 546 CB SER A 404 -12.704 14.307 -13.146 1.00 0.00 C ATOM 547 OG SER A 404 -11.348 14.519 -12.796 1.00 0.00 O ATOM 0 H SER A 404 -12.293 13.988 -10.806 1.00 0.00 H new ATOM 0 HA SER A 404 -14.343 13.078 -12.524 1.00 0.00 H new ATOM 0 HB2 SER A 404 -12.790 14.157 -14.222 1.00 0.00 H new ATOM 0 HB3 SER A 404 -13.293 15.190 -12.899 1.00 0.00 H new ATOM 0 HG SER A 404 -11.004 15.300 -13.277 1.00 0.00 H new ATOM 553 N LYS A 405 -11.398 11.556 -12.858 1.00 0.00 N ATOM 554 CA LYS A 405 -10.749 10.346 -13.350 1.00 0.00 C ATOM 555 C LYS A 405 -11.425 9.126 -12.736 1.00 0.00 C ATOM 556 O LYS A 405 -11.746 8.179 -13.445 1.00 0.00 O ATOM 557 CB LYS A 405 -9.256 10.320 -13.000 1.00 0.00 C ATOM 558 CG LYS A 405 -8.375 11.202 -13.888 1.00 0.00 C ATOM 559 CD LYS A 405 -8.706 12.695 -13.791 1.00 0.00 C ATOM 560 CE LYS A 405 -7.696 13.538 -14.575 1.00 0.00 C ATOM 561 NZ LYS A 405 -6.358 13.530 -13.951 1.00 0.00 N ATOM 0 H LYS A 405 -10.758 12.216 -12.417 1.00 0.00 H new ATOM 0 HA LYS A 405 -10.844 10.332 -14.436 1.00 0.00 H new ATOM 0 HB2 LYS A 405 -9.134 10.635 -11.964 1.00 0.00 H new ATOM 0 HB3 LYS A 405 -8.900 9.292 -13.065 1.00 0.00 H new ATOM 0 HG2 LYS A 405 -7.331 11.051 -13.614 1.00 0.00 H new ATOM 0 HG3 LYS A 405 -8.482 10.881 -14.924 1.00 0.00 H new ATOM 0 HD2 LYS A 405 -9.710 12.873 -14.177 1.00 0.00 H new ATOM 0 HD3 LYS A 405 -8.707 13.003 -12.745 1.00 0.00 H new ATOM 0 HE2 LYS A 405 -7.622 13.158 -15.594 1.00 0.00 H new ATOM 0 HE3 LYS A 405 -8.057 14.564 -14.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 -5.771 14.275 -14.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 -6.450 13.704 -12.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 -5.909 12.605 -14.105 1.00 0.00 H new ATOM 575 N ILE A 406 -11.645 9.153 -11.419 1.00 0.00 N ATOM 576 CA ILE A 406 -12.288 8.061 -10.710 1.00 0.00 C ATOM 577 C ILE A 406 -13.655 7.764 -11.338 1.00 0.00 C ATOM 578 O ILE A 406 -13.888 6.650 -11.804 1.00 0.00 O ATOM 579 CB ILE A 406 -12.340 8.398 -9.205 1.00 0.00 C ATOM 580 CG1 ILE A 406 -10.904 8.395 -8.652 1.00 0.00 C ATOM 581 CG2 ILE A 406 -13.218 7.403 -8.439 1.00 0.00 C ATOM 582 CD1 ILE A 406 -10.801 8.784 -7.182 1.00 0.00 C ATOM 0 H ILE A 406 -11.380 9.935 -10.821 1.00 0.00 H new ATOM 0 HA ILE A 406 -11.715 7.138 -10.802 1.00 0.00 H new ATOM 0 HB ILE A 406 -12.786 9.384 -9.074 1.00 0.00 H new ATOM 0 HG12 ILE A 406 -10.478 7.401 -8.784 1.00 0.00 H new ATOM 0 HG13 ILE A 406 -10.298 9.083 -9.242 1.00 0.00 H new ATOM 0 HG21 ILE A 406 -13.233 7.669 -7.382 1.00 0.00 H new ATOM 0 HG22 ILE A 406 -14.233 7.433 -8.835 1.00 0.00 H new ATOM 0 HG23 ILE A 406 -12.814 6.397 -8.554 1.00 0.00 H new ATOM 0 HD11 ILE A 406 -9.757 8.757 -6.871 1.00 0.00 H new ATOM 0 HD12 ILE A 406 -11.195 9.791 -7.044 1.00 0.00 H new ATOM 0 HD13 ILE A 406 -11.378 8.083 -6.579 1.00 0.00 H new ATOM 594 N LEU A 407 -14.550 8.755 -11.355 1.00 0.00 N ATOM 595 CA LEU A 407 -15.899 8.643 -11.897 1.00 0.00 C ATOM 596 C LEU A 407 -15.936 8.145 -13.346 1.00 0.00 C ATOM 597 O LEU A 407 -16.754 7.293 -13.681 1.00 0.00 O ATOM 598 CB LEU A 407 -16.602 10.002 -11.763 1.00 0.00 C ATOM 599 CG LEU A 407 -18.062 10.011 -12.252 1.00 0.00 C ATOM 600 CD1 LEU A 407 -18.928 8.977 -11.520 1.00 0.00 C ATOM 601 CD2 LEU A 407 -18.648 11.411 -12.036 1.00 0.00 C ATOM 0 H LEU A 407 -14.347 9.682 -10.981 1.00 0.00 H new ATOM 0 HA LEU A 407 -16.427 7.885 -11.318 1.00 0.00 H new ATOM 0 HB2 LEU A 407 -16.580 10.308 -10.717 1.00 0.00 H new ATOM 0 HB3 LEU A 407 -16.038 10.747 -12.325 1.00 0.00 H new ATOM 0 HG LEU A 407 -18.064 9.747 -13.310 1.00 0.00 H new ATOM 0 HD11 LEU A 407 -19.948 9.022 -11.900 1.00 0.00 H new ATOM 0 HD12 LEU A 407 -18.523 7.979 -11.687 1.00 0.00 H new ATOM 0 HD13 LEU A 407 -18.929 9.194 -10.452 1.00 0.00 H new ATOM 0 HD21 LEU A 407 -19.682 11.429 -12.379 1.00 0.00 H new ATOM 0 HD22 LEU A 407 -18.613 11.661 -10.976 1.00 0.00 H new ATOM 0 HD23 LEU A 407 -18.066 12.140 -12.600 1.00 0.00 H new ATOM 613 N LEU A 408 -15.076 8.690 -14.212 1.00 0.00 N ATOM 614 CA LEU A 408 -15.031 8.343 -15.628 1.00 0.00 C ATOM 615 C LEU A 408 -14.431 6.962 -15.895 1.00 0.00 C ATOM 616 O LEU A 408 -14.980 6.193 -16.682 1.00 0.00 O ATOM 617 CB LEU A 408 -14.233 9.411 -16.402 1.00 0.00 C ATOM 618 CG LEU A 408 -15.068 10.612 -16.895 1.00 0.00 C ATOM 619 CD1 LEU A 408 -15.929 10.225 -18.105 1.00 0.00 C ATOM 620 CD2 LEU A 408 -15.960 11.248 -15.820 1.00 0.00 C ATOM 0 H LEU A 408 -14.386 9.391 -13.943 1.00 0.00 H new ATOM 0 HA LEU A 408 -16.064 8.311 -15.974 1.00 0.00 H new ATOM 0 HB2 LEU A 408 -13.433 9.781 -15.761 1.00 0.00 H new ATOM 0 HB3 LEU A 408 -13.760 8.938 -17.262 1.00 0.00 H new ATOM 0 HG LEU A 408 -14.333 11.365 -17.178 1.00 0.00 H new ATOM 0 HD11 LEU A 408 -16.507 11.090 -18.432 1.00 0.00 H new ATOM 0 HD12 LEU A 408 -15.285 9.891 -18.918 1.00 0.00 H new ATOM 0 HD13 LEU A 408 -16.608 9.419 -17.826 1.00 0.00 H new ATOM 0 HD21 LEU A 408 -16.511 12.083 -16.252 1.00 0.00 H new ATOM 0 HD22 LEU A 408 -16.663 10.505 -15.445 1.00 0.00 H new ATOM 0 HD23 LEU A 408 -15.340 11.608 -14.999 1.00 0.00 H new ATOM 632 N HIS A 409 -13.282 6.664 -15.285 1.00 0.00 N ATOM 633 CA HIS A 409 -12.547 5.430 -15.517 1.00 0.00 C ATOM 634 C HIS A 409 -13.163 4.212 -14.823 1.00 0.00 C ATOM 635 O HIS A 409 -13.165 3.130 -15.406 1.00 0.00 O ATOM 636 CB HIS A 409 -11.075 5.599 -15.106 1.00 0.00 C ATOM 637 CG HIS A 409 -10.352 6.816 -15.648 1.00 0.00 C ATOM 638 ND1 HIS A 409 -9.000 7.013 -15.421 1.00 0.00 N ATOM 639 CD2 HIS A 409 -10.741 7.907 -16.395 1.00 0.00 C ATOM 640 CE1 HIS A 409 -8.657 8.169 -16.011 1.00 0.00 C ATOM 641 NE2 HIS A 409 -9.674 8.766 -16.624 1.00 0.00 N ATOM 0 H HIS A 409 -12.835 7.283 -14.609 1.00 0.00 H new ATOM 0 HA HIS A 409 -12.608 5.232 -16.587 1.00 0.00 H new ATOM 0 HB2 HIS A 409 -11.027 5.632 -14.018 1.00 0.00 H new ATOM 0 HB3 HIS A 409 -10.529 4.710 -15.422 1.00 0.00 H new ATOM 0 HD1 HIS A 409 -8.379 6.393 -14.901 1.00 0.00 H new ATOM 0 HD2 HIS A 409 -11.745 8.072 -16.756 1.00 0.00 H new ATOM 0 HE1 HIS A 409 -7.656 8.573 -15.990 1.00 0.00 H new ATOM 649 N TYR A 410 -13.660 4.369 -13.588 1.00 0.00 N ATOM 650 CA TYR A 410 -14.242 3.280 -12.808 1.00 0.00 C ATOM 651 C TYR A 410 -15.768 3.376 -12.714 1.00 0.00 C ATOM 652 O TYR A 410 -16.359 4.399 -13.051 1.00 0.00 O ATOM 653 CB TYR A 410 -13.541 3.211 -11.446 1.00 0.00 C ATOM 654 CG TYR A 410 -12.156 2.597 -11.497 1.00 0.00 C ATOM 655 CD1 TYR A 410 -11.991 1.268 -11.933 1.00 0.00 C ATOM 656 CD2 TYR A 410 -11.033 3.350 -11.113 1.00 0.00 C ATOM 657 CE1 TYR A 410 -10.707 0.699 -11.991 1.00 0.00 C ATOM 658 CE2 TYR A 410 -9.750 2.782 -11.169 1.00 0.00 C ATOM 659 CZ TYR A 410 -9.588 1.458 -11.611 1.00 0.00 C ATOM 660 OH TYR A 410 -8.341 0.909 -11.673 1.00 0.00 O ATOM 0 H TYR A 410 -13.667 5.266 -13.102 1.00 0.00 H new ATOM 0 HA TYR A 410 -14.068 2.335 -13.322 1.00 0.00 H new ATOM 0 HB2 TYR A 410 -13.466 4.218 -11.036 1.00 0.00 H new ATOM 0 HB3 TYR A 410 -14.159 2.632 -10.759 1.00 0.00 H new ATOM 0 HD1 TYR A 410 -12.853 0.685 -12.223 1.00 0.00 H new ATOM 0 HD2 TYR A 410 -11.157 4.368 -10.774 1.00 0.00 H new ATOM 0 HE1 TYR A 410 -10.581 -0.320 -12.327 1.00 0.00 H new ATOM 0 HE2 TYR A 410 -8.889 3.362 -10.873 1.00 0.00 H new ATOM 0 HH TYR A 410 -8.146 0.643 -12.596 1.00 0.00 H new ATOM 670 N LYS A 411 -16.406 2.279 -12.284 1.00 0.00 N ATOM 671 CA LYS A 411 -17.855 2.153 -12.177 1.00 0.00 C ATOM 672 C LYS A 411 -18.410 2.742 -10.879 1.00 0.00 C ATOM 673 O LYS A 411 -17.923 2.434 -9.794 1.00 0.00 O ATOM 674 CB LYS A 411 -18.258 0.672 -12.315 1.00 0.00 C ATOM 675 CG LYS A 411 -19.718 0.428 -11.900 1.00 0.00 C ATOM 676 CD LYS A 411 -20.239 -0.925 -12.397 1.00 0.00 C ATOM 677 CE LYS A 411 -21.542 -1.341 -11.698 1.00 0.00 C ATOM 678 NZ LYS A 411 -22.513 -0.234 -11.572 1.00 0.00 N ATOM 0 H LYS A 411 -15.910 1.436 -11.995 1.00 0.00 H new ATOM 0 HA LYS A 411 -18.293 2.733 -12.989 1.00 0.00 H new ATOM 0 HB2 LYS A 411 -18.117 0.353 -13.348 1.00 0.00 H new ATOM 0 HB3 LYS A 411 -17.600 0.059 -11.700 1.00 0.00 H new ATOM 0 HG2 LYS A 411 -19.798 0.470 -10.814 1.00 0.00 H new ATOM 0 HG3 LYS A 411 -20.346 1.226 -12.297 1.00 0.00 H new ATOM 0 HD2 LYS A 411 -20.407 -0.874 -13.473 1.00 0.00 H new ATOM 0 HD3 LYS A 411 -19.479 -1.688 -12.229 1.00 0.00 H new ATOM 0 HE2 LYS A 411 -22.001 -2.157 -12.255 1.00 0.00 H new ATOM 0 HE3 LYS A 411 -21.308 -1.725 -10.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 -23.433 -0.612 -11.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 -22.169 0.451 -10.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 -22.621 0.239 -12.492 1.00 0.00 H new ATOM 692 N PHE A 412 -19.461 3.560 -11.015 1.00 0.00 N ATOM 693 CA PHE A 412 -20.197 4.194 -9.932 1.00 0.00 C ATOM 694 C PHE A 412 -21.603 4.479 -10.437 1.00 0.00 C ATOM 695 O PHE A 412 -21.769 4.844 -11.600 1.00 0.00 O ATOM 696 CB PHE A 412 -19.556 5.522 -9.533 1.00 0.00 C ATOM 697 CG PHE A 412 -18.173 5.380 -8.955 1.00 0.00 C ATOM 698 CD1 PHE A 412 -18.008 5.122 -7.584 1.00 0.00 C ATOM 699 CD2 PHE A 412 -17.049 5.498 -9.790 1.00 0.00 C ATOM 700 CE1 PHE A 412 -16.718 4.979 -7.051 1.00 0.00 C ATOM 701 CE2 PHE A 412 -15.763 5.352 -9.253 1.00 0.00 C ATOM 702 CZ PHE A 412 -15.596 5.096 -7.883 1.00 0.00 C ATOM 0 H PHE A 412 -19.834 3.805 -11.932 1.00 0.00 H new ATOM 0 HA PHE A 412 -20.198 3.534 -9.065 1.00 0.00 H new ATOM 0 HB2 PHE A 412 -19.509 6.170 -10.409 1.00 0.00 H new ATOM 0 HB3 PHE A 412 -20.195 6.019 -8.803 1.00 0.00 H new ATOM 0 HD1 PHE A 412 -18.872 5.034 -6.942 1.00 0.00 H new ATOM 0 HD2 PHE A 412 -17.176 5.701 -10.843 1.00 0.00 H new ATOM 0 HE1 PHE A 412 -16.589 4.778 -5.998 1.00 0.00 H new ATOM 0 HE2 PHE A 412 -14.898 5.437 -9.895 1.00 0.00 H new ATOM 0 HZ PHE A 412 -14.604 4.989 -7.470 1.00 0.00 H new ATOM 712 N ASN A 413 -22.612 4.339 -9.573 1.00 0.00 N ATOM 713 CA ASN A 413 -23.998 4.610 -9.928 1.00 0.00 C ATOM 714 C ASN A 413 -24.237 6.120 -9.804 1.00 0.00 C ATOM 715 O ASN A 413 -25.016 6.575 -8.967 1.00 0.00 O ATOM 716 CB ASN A 413 -24.941 3.776 -9.046 1.00 0.00 C ATOM 717 CG ASN A 413 -24.651 2.274 -9.112 1.00 0.00 C ATOM 718 OD1 ASN A 413 -24.291 1.742 -10.164 1.00 0.00 O ATOM 719 ND2 ASN A 413 -24.801 1.574 -7.990 1.00 0.00 N ATOM 0 H ASN A 413 -22.485 4.034 -8.608 1.00 0.00 H new ATOM 0 HA ASN A 413 -24.207 4.317 -10.957 1.00 0.00 H new ATOM 0 HB2 ASN A 413 -24.855 4.112 -8.013 1.00 0.00 H new ATOM 0 HB3 ASN A 413 -25.971 3.955 -9.354 1.00 0.00 H new ATOM 0 HD21 ASN A 413 -24.617 0.571 -7.986 1.00 0.00 H new ATOM 0 HD22 ASN A 413 -25.100 2.041 -7.134 1.00 0.00 H new ATOM 726 N ASN A 414 -23.539 6.894 -10.650 1.00 0.00 N ATOM 727 CA ASN A 414 -23.592 8.351 -10.724 1.00 0.00 C ATOM 728 C ASN A 414 -23.264 9.001 -9.377 1.00 0.00 C ATOM 729 O ASN A 414 -24.126 9.622 -8.757 1.00 0.00 O ATOM 730 CB ASN A 414 -24.950 8.811 -11.281 1.00 0.00 C ATOM 731 CG ASN A 414 -25.243 8.189 -12.643 1.00 0.00 C ATOM 732 OD1 ASN A 414 -25.982 7.213 -12.736 1.00 0.00 O ATOM 733 ND2 ASN A 414 -24.663 8.745 -13.707 1.00 0.00 N ATOM 0 H ASN A 414 -22.893 6.495 -11.331 1.00 0.00 H new ATOM 0 HA ASN A 414 -22.821 8.686 -11.417 1.00 0.00 H new ATOM 0 HB2 ASN A 414 -25.740 8.541 -10.581 1.00 0.00 H new ATOM 0 HB3 ASN A 414 -24.958 9.897 -11.368 1.00 0.00 H new ATOM 0 HD21 ASN A 414 -24.828 8.360 -14.637 1.00 0.00 H new ATOM 0 HD22 ASN A 414 -24.055 9.556 -13.591 1.00 0.00 H new ATOM 740 N ARG A 415 -22.010 8.866 -8.928 1.00 0.00 N ATOM 741 CA ARG A 415 -21.528 9.437 -7.675 1.00 0.00 C ATOM 742 C ARG A 415 -20.776 10.734 -7.964 1.00 0.00 C ATOM 743 O ARG A 415 -19.732 10.723 -8.610 1.00 0.00 O ATOM 744 CB ARG A 415 -20.656 8.431 -6.913 1.00 0.00 C ATOM 745 CG ARG A 415 -21.471 7.489 -6.011 1.00 0.00 C ATOM 746 CD ARG A 415 -22.714 6.882 -6.667 1.00 0.00 C ATOM 747 NE ARG A 415 -23.316 5.864 -5.794 1.00 0.00 N ATOM 748 CZ ARG A 415 -24.621 5.583 -5.645 1.00 0.00 C ATOM 749 NH1 ARG A 415 -25.568 6.280 -6.287 1.00 0.00 N ATOM 750 NH2 ARG A 415 -24.974 4.562 -4.855 1.00 0.00 N ATOM 0 H ARG A 415 -21.294 8.348 -9.437 1.00 0.00 H new ATOM 0 HA ARG A 415 -22.378 9.667 -7.033 1.00 0.00 H new ATOM 0 HB2 ARG A 415 -20.087 7.837 -7.628 1.00 0.00 H new ATOM 0 HB3 ARG A 415 -19.934 8.974 -6.303 1.00 0.00 H new ATOM 0 HG2 ARG A 415 -20.823 6.679 -5.677 1.00 0.00 H new ATOM 0 HG3 ARG A 415 -21.779 8.038 -5.122 1.00 0.00 H new ATOM 0 HD2 ARG A 415 -23.442 7.666 -6.875 1.00 0.00 H new ATOM 0 HD3 ARG A 415 -22.445 6.435 -7.624 1.00 0.00 H new ATOM 0 HE ARG A 415 -22.668 5.307 -5.237 1.00 0.00 H new ATOM 0 HH11 ARG A 415 -25.305 7.046 -6.907 1.00 0.00 H new ATOM 0 HH12 ARG A 415 -26.552 6.045 -6.155 1.00 0.00 H new ATOM 0 HH21 ARG A 415 -24.257 4.014 -4.379 1.00 0.00 H new ATOM 0 HH22 ARG A 415 -25.960 4.332 -4.728 1.00 0.00 H new ATOM 764 N THR A 416 -21.325 11.852 -7.478 1.00 0.00 N ATOM 765 CA THR A 416 -20.768 13.186 -7.645 1.00 0.00 C ATOM 766 C THR A 416 -19.431 13.327 -6.918 1.00 0.00 C ATOM 767 O THR A 416 -19.126 12.546 -6.021 1.00 0.00 O ATOM 768 CB THR A 416 -21.744 14.218 -7.057 1.00 0.00 C ATOM 769 OG1 THR A 416 -21.869 14.025 -5.656 1.00 0.00 O ATOM 770 CG2 THR A 416 -23.124 14.159 -7.722 1.00 0.00 C ATOM 0 H THR A 416 -22.194 11.847 -6.943 1.00 0.00 H new ATOM 0 HA THR A 416 -20.612 13.354 -8.711 1.00 0.00 H new ATOM 0 HB THR A 416 -21.331 15.207 -7.256 1.00 0.00 H new ATOM 0 HG1 THR A 416 -22.491 14.687 -5.289 1.00 0.00 H new ATOM 0 HG21 THR A 416 -23.777 14.907 -7.272 1.00 0.00 H new ATOM 0 HG22 THR A 416 -23.023 14.360 -8.788 1.00 0.00 H new ATOM 0 HG23 THR A 416 -23.555 13.168 -7.579 1.00 0.00 H new ATOM 778 N SER A 417 -18.657 14.358 -7.278 1.00 0.00 N ATOM 779 CA SER A 417 -17.387 14.672 -6.637 1.00 0.00 C ATOM 780 C SER A 417 -17.594 14.853 -5.130 1.00 0.00 C ATOM 781 O SER A 417 -16.742 14.464 -4.334 1.00 0.00 O ATOM 782 CB SER A 417 -16.798 15.938 -7.265 1.00 0.00 C ATOM 783 OG SER A 417 -16.715 15.773 -8.666 1.00 0.00 O ATOM 0 H SER A 417 -18.903 15.001 -8.031 1.00 0.00 H new ATOM 0 HA SER A 417 -16.686 13.851 -6.787 1.00 0.00 H new ATOM 0 HB2 SER A 417 -17.421 16.800 -7.026 1.00 0.00 H new ATOM 0 HB3 SER A 417 -15.809 16.136 -6.852 1.00 0.00 H new ATOM 0 HG SER A 417 -16.340 16.584 -9.069 1.00 0.00 H new ATOM 789 N VAL A 418 -18.739 15.438 -4.752 1.00 0.00 N ATOM 790 CA VAL A 418 -19.127 15.673 -3.372 1.00 0.00 C ATOM 791 C VAL A 418 -19.241 14.335 -2.642 1.00 0.00 C ATOM 792 O VAL A 418 -18.578 14.138 -1.625 1.00 0.00 O ATOM 793 CB VAL A 418 -20.438 16.480 -3.316 1.00 0.00 C ATOM 794 CG1 VAL A 418 -20.878 16.718 -1.863 1.00 0.00 C ATOM 795 CG2 VAL A 418 -20.272 17.842 -4.005 1.00 0.00 C ATOM 0 H VAL A 418 -19.433 15.766 -5.423 1.00 0.00 H new ATOM 0 HA VAL A 418 -18.365 16.267 -2.867 1.00 0.00 H new ATOM 0 HB VAL A 418 -21.197 15.895 -3.836 1.00 0.00 H new ATOM 0 HG11 VAL A 418 -21.806 17.290 -1.853 1.00 0.00 H new ATOM 0 HG12 VAL A 418 -21.037 15.759 -1.369 1.00 0.00 H new ATOM 0 HG13 VAL A 418 -20.103 17.274 -1.335 1.00 0.00 H new ATOM 0 HG21 VAL A 418 -21.211 18.393 -3.952 1.00 0.00 H new ATOM 0 HG22 VAL A 418 -19.489 18.411 -3.503 1.00 0.00 H new ATOM 0 HG23 VAL A 418 -19.998 17.691 -5.049 1.00 0.00 H new ATOM 805 N MET A 419 -20.073 13.422 -3.159 1.00 0.00 N ATOM 806 CA MET A 419 -20.258 12.112 -2.550 1.00 0.00 C ATOM 807 C MET A 419 -18.957 11.301 -2.548 1.00 0.00 C ATOM 808 O MET A 419 -18.674 10.612 -1.571 1.00 0.00 O ATOM 809 CB MET A 419 -21.414 11.362 -3.228 1.00 0.00 C ATOM 810 CG MET A 419 -22.763 11.923 -2.756 1.00 0.00 C ATOM 811 SD MET A 419 -24.224 10.937 -3.168 1.00 0.00 S ATOM 812 CE MET A 419 -24.252 11.124 -4.961 1.00 0.00 C ATOM 0 H MET A 419 -20.628 13.574 -4.001 1.00 0.00 H new ATOM 0 HA MET A 419 -20.530 12.256 -1.504 1.00 0.00 H new ATOM 0 HB2 MET A 419 -21.332 11.456 -4.311 1.00 0.00 H new ATOM 0 HB3 MET A 419 -21.353 10.299 -2.995 1.00 0.00 H new ATOM 0 HG2 MET A 419 -22.725 12.043 -1.673 1.00 0.00 H new ATOM 0 HG3 MET A 419 -22.889 12.918 -3.183 1.00 0.00 H new ATOM 0 HE1 MET A 419 -25.255 11.406 -5.282 1.00 0.00 H new ATOM 0 HE2 MET A 419 -23.545 11.899 -5.257 1.00 0.00 H new ATOM 0 HE3 MET A 419 -23.973 10.180 -5.430 1.00 0.00 H new ATOM 822 N LEU A 420 -18.161 11.393 -3.620 1.00 0.00 N ATOM 823 CA LEU A 420 -16.886 10.700 -3.739 1.00 0.00 C ATOM 824 C LEU A 420 -15.959 11.127 -2.600 1.00 0.00 C ATOM 825 O LEU A 420 -15.505 10.285 -1.824 1.00 0.00 O ATOM 826 CB LEU A 420 -16.244 10.982 -5.111 1.00 0.00 C ATOM 827 CG LEU A 420 -16.886 10.180 -6.254 1.00 0.00 C ATOM 828 CD1 LEU A 420 -16.592 10.799 -7.624 1.00 0.00 C ATOM 829 CD2 LEU A 420 -16.323 8.758 -6.278 1.00 0.00 C ATOM 0 H LEU A 420 -18.393 11.960 -4.436 1.00 0.00 H new ATOM 0 HA LEU A 420 -17.054 9.626 -3.666 1.00 0.00 H new ATOM 0 HB2 LEU A 420 -16.326 12.046 -5.332 1.00 0.00 H new ATOM 0 HB3 LEU A 420 -15.181 10.747 -5.063 1.00 0.00 H new ATOM 0 HG LEU A 420 -17.961 10.184 -6.071 1.00 0.00 H new ATOM 0 HD11 LEU A 420 -17.065 10.200 -8.403 1.00 0.00 H new ATOM 0 HD12 LEU A 420 -16.987 11.814 -7.657 1.00 0.00 H new ATOM 0 HD13 LEU A 420 -15.515 10.823 -7.789 1.00 0.00 H new ATOM 0 HD21 LEU A 420 -16.784 8.198 -7.091 1.00 0.00 H new ATOM 0 HD22 LEU A 420 -15.244 8.796 -6.430 1.00 0.00 H new ATOM 0 HD23 LEU A 420 -16.539 8.265 -5.330 1.00 0.00 H new ATOM 841 N LYS A 421 -15.679 12.433 -2.492 1.00 0.00 N ATOM 842 CA LYS A 421 -14.801 12.933 -1.444 1.00 0.00 C ATOM 843 C LYS A 421 -15.374 12.678 -0.051 1.00 0.00 C ATOM 844 O LYS A 421 -14.613 12.354 0.853 1.00 0.00 O ATOM 845 CB LYS A 421 -14.399 14.402 -1.674 1.00 0.00 C ATOM 846 CG LYS A 421 -15.480 15.418 -1.320 1.00 0.00 C ATOM 847 CD LYS A 421 -14.992 16.858 -1.513 1.00 0.00 C ATOM 848 CE LYS A 421 -16.142 17.872 -1.462 1.00 0.00 C ATOM 849 NZ LYS A 421 -17.034 17.674 -0.300 1.00 0.00 N ATOM 0 H LYS A 421 -16.048 13.151 -3.115 1.00 0.00 H new ATOM 0 HA LYS A 421 -13.875 12.361 -1.499 1.00 0.00 H new ATOM 0 HB2 LYS A 421 -13.508 14.618 -1.084 1.00 0.00 H new ATOM 0 HB3 LYS A 421 -14.126 14.531 -2.721 1.00 0.00 H new ATOM 0 HG2 LYS A 421 -16.359 15.245 -1.942 1.00 0.00 H new ATOM 0 HG3 LYS A 421 -15.789 15.274 -0.285 1.00 0.00 H new ATOM 0 HD2 LYS A 421 -14.263 17.099 -0.740 1.00 0.00 H new ATOM 0 HD3 LYS A 421 -14.479 16.941 -2.471 1.00 0.00 H new ATOM 0 HE2 LYS A 421 -15.729 18.880 -1.429 1.00 0.00 H new ATOM 0 HE3 LYS A 421 -16.726 17.797 -2.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 421 -17.675 18.489 -0.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 421 -17.593 16.807 -0.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 421 -16.463 17.587 0.565 1.00 0.00 H new ATOM 863 N ASP A 422 -16.690 12.823 0.143 1.00 0.00 N ATOM 864 CA ASP A 422 -17.302 12.602 1.445 1.00 0.00 C ATOM 865 C ASP A 422 -17.118 11.153 1.896 1.00 0.00 C ATOM 866 O ASP A 422 -16.620 10.909 2.994 1.00 0.00 O ATOM 867 CB ASP A 422 -18.781 12.990 1.425 1.00 0.00 C ATOM 868 CG ASP A 422 -19.403 12.750 2.798 1.00 0.00 C ATOM 869 OD1 ASP A 422 -19.055 13.524 3.718 1.00 0.00 O ATOM 870 OD2 ASP A 422 -20.183 11.781 2.908 1.00 0.00 O ATOM 0 H ASP A 422 -17.346 13.093 -0.590 1.00 0.00 H new ATOM 0 HA ASP A 422 -16.798 13.243 2.169 1.00 0.00 H new ATOM 0 HB2 ASP A 422 -18.886 14.039 1.147 1.00 0.00 H new ATOM 0 HB3 ASP A 422 -19.308 12.406 0.671 1.00 0.00 H new ATOM 875 N ARG A 423 -17.507 10.195 1.044 1.00 0.00 N ATOM 876 CA ARG A 423 -17.383 8.768 1.319 1.00 0.00 C ATOM 877 C ARG A 423 -15.936 8.434 1.677 1.00 0.00 C ATOM 878 O ARG A 423 -15.682 7.746 2.665 1.00 0.00 O ATOM 879 CB ARG A 423 -17.855 7.960 0.099 1.00 0.00 C ATOM 880 CG ARG A 423 -17.799 6.438 0.306 1.00 0.00 C ATOM 881 CD ARG A 423 -18.790 5.963 1.377 1.00 0.00 C ATOM 882 NE ARG A 423 -18.971 4.502 1.333 1.00 0.00 N ATOM 883 CZ ARG A 423 -19.912 3.824 2.012 1.00 0.00 C ATOM 884 NH1 ARG A 423 -20.695 4.460 2.892 1.00 0.00 N ATOM 885 NH2 ARG A 423 -20.096 2.516 1.797 1.00 0.00 N ATOM 0 H ARG A 423 -17.921 10.398 0.134 1.00 0.00 H new ATOM 0 HA ARG A 423 -18.013 8.502 2.168 1.00 0.00 H new ATOM 0 HB2 ARG A 423 -18.878 8.247 -0.142 1.00 0.00 H new ATOM 0 HB3 ARG A 423 -17.239 8.224 -0.761 1.00 0.00 H new ATOM 0 HG2 ARG A 423 -18.017 5.936 -0.637 1.00 0.00 H new ATOM 0 HG3 ARG A 423 -16.788 6.149 0.594 1.00 0.00 H new ATOM 0 HD2 ARG A 423 -18.430 6.257 2.363 1.00 0.00 H new ATOM 0 HD3 ARG A 423 -19.751 6.455 1.229 1.00 0.00 H new ATOM 0 HE ARG A 423 -18.335 3.965 0.743 1.00 0.00 H new ATOM 0 HH11 ARG A 423 -20.578 5.461 3.048 1.00 0.00 H new ATOM 0 HH12 ARG A 423 -21.409 3.943 3.406 1.00 0.00 H new ATOM 0 HH21 ARG A 423 -19.520 2.026 1.113 1.00 0.00 H new ATOM 0 HH22 ARG A 423 -20.813 2.010 2.317 1.00 0.00 H new ATOM 899 N TRP A 424 -14.988 8.933 0.874 1.00 0.00 N ATOM 900 CA TRP A 424 -13.575 8.705 1.093 1.00 0.00 C ATOM 901 C TRP A 424 -13.123 9.261 2.444 1.00 0.00 C ATOM 902 O TRP A 424 -12.534 8.547 3.257 1.00 0.00 O ATOM 903 CB TRP A 424 -12.796 9.348 -0.056 1.00 0.00 C ATOM 904 CG TRP A 424 -11.347 9.007 -0.054 1.00 0.00 C ATOM 905 CD1 TRP A 424 -10.331 9.867 0.147 1.00 0.00 C ATOM 906 CD2 TRP A 424 -10.737 7.704 -0.265 1.00 0.00 C ATOM 907 NE1 TRP A 424 -9.132 9.191 0.074 1.00 0.00 N ATOM 908 CE2 TRP A 424 -9.323 7.847 -0.179 1.00 0.00 C ATOM 909 CE3 TRP A 424 -11.242 6.416 -0.522 1.00 0.00 C ATOM 910 CZ2 TRP A 424 -8.450 6.759 -0.343 1.00 0.00 C ATOM 911 CZ3 TRP A 424 -10.379 5.321 -0.689 1.00 0.00 C ATOM 912 CH2 TRP A 424 -8.985 5.485 -0.601 1.00 0.00 C ATOM 0 H TRP A 424 -15.191 9.506 0.055 1.00 0.00 H new ATOM 0 HA TRP A 424 -13.380 7.633 1.114 1.00 0.00 H new ATOM 0 HB2 TRP A 424 -13.234 9.033 -1.003 1.00 0.00 H new ATOM 0 HB3 TRP A 424 -12.907 10.431 0.002 1.00 0.00 H new ATOM 0 HD1 TRP A 424 -10.439 10.925 0.336 1.00 0.00 H new ATOM 0 HE1 TRP A 424 -8.218 9.629 0.192 1.00 0.00 H new ATOM 0 HE3 TRP A 424 -12.309 6.267 -0.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 424 -7.382 6.899 -0.272 1.00 0.00 H new ATOM 0 HZ3 TRP A 424 -10.790 4.342 -0.887 1.00 0.00 H new ATOM 0 HH2 TRP A 424 -8.329 4.637 -0.731 1.00 0.00 H new ATOM 923 N ARG A 425 -13.403 10.546 2.676 1.00 0.00 N ATOM 924 CA ARG A 425 -13.048 11.256 3.891 1.00 0.00 C ATOM 925 C ARG A 425 -13.617 10.570 5.128 1.00 0.00 C ATOM 926 O ARG A 425 -12.922 10.498 6.135 1.00 0.00 O ATOM 927 CB ARG A 425 -13.467 12.727 3.801 1.00 0.00 C ATOM 928 CG ARG A 425 -12.503 13.481 2.874 1.00 0.00 C ATOM 929 CD ARG A 425 -13.009 14.896 2.577 1.00 0.00 C ATOM 930 NE ARG A 425 -12.041 15.644 1.759 1.00 0.00 N ATOM 931 CZ ARG A 425 -10.937 16.258 2.221 1.00 0.00 C ATOM 932 NH1 ARG A 425 -10.644 16.242 3.528 1.00 0.00 N ATOM 933 NH2 ARG A 425 -10.120 16.887 1.366 1.00 0.00 N ATOM 0 H ARG A 425 -13.896 11.130 2.001 1.00 0.00 H new ATOM 0 HA ARG A 425 -11.963 11.231 3.994 1.00 0.00 H new ATOM 0 HB2 ARG A 425 -14.486 12.803 3.422 1.00 0.00 H new ATOM 0 HB3 ARG A 425 -13.462 13.179 4.793 1.00 0.00 H new ATOM 0 HG2 ARG A 425 -11.517 13.535 3.337 1.00 0.00 H new ATOM 0 HG3 ARG A 425 -12.387 12.930 1.940 1.00 0.00 H new ATOM 0 HD2 ARG A 425 -13.965 14.842 2.056 1.00 0.00 H new ATOM 0 HD3 ARG A 425 -13.186 15.426 3.513 1.00 0.00 H new ATOM 0 HE ARG A 425 -12.223 15.702 0.757 1.00 0.00 H new ATOM 0 HH11 ARG A 425 -11.261 15.761 4.183 1.00 0.00 H new ATOM 0 HH12 ARG A 425 -9.804 16.711 3.868 1.00 0.00 H new ATOM 0 HH21 ARG A 425 -10.336 16.899 0.369 1.00 0.00 H new ATOM 0 HH22 ARG A 425 -9.282 17.354 1.712 1.00 0.00 H new ATOM 947 N THR A 426 -14.853 10.059 5.071 1.00 0.00 N ATOM 948 CA THR A 426 -15.478 9.368 6.195 1.00 0.00 C ATOM 949 C THR A 426 -14.540 8.305 6.779 1.00 0.00 C ATOM 950 O THR A 426 -14.425 8.191 7.998 1.00 0.00 O ATOM 951 CB THR A 426 -16.843 8.798 5.784 1.00 0.00 C ATOM 952 OG1 THR A 426 -17.686 9.864 5.401 1.00 0.00 O ATOM 953 CG2 THR A 426 -17.526 8.057 6.939 1.00 0.00 C ATOM 0 H THR A 426 -15.445 10.115 4.242 1.00 0.00 H new ATOM 0 HA THR A 426 -15.661 10.087 6.994 1.00 0.00 H new ATOM 0 HB THR A 426 -16.676 8.097 4.966 1.00 0.00 H new ATOM 0 HG1 THR A 426 -17.382 10.230 4.544 1.00 0.00 H new ATOM 0 HG21 THR A 426 -18.489 7.670 6.604 1.00 0.00 H new ATOM 0 HG22 THR A 426 -16.895 7.229 7.264 1.00 0.00 H new ATOM 0 HG23 THR A 426 -17.680 8.744 7.771 1.00 0.00 H new ATOM 961 N MET A 427 -13.860 7.549 5.909 1.00 0.00 N ATOM 962 CA MET A 427 -12.911 6.520 6.300 1.00 0.00 C ATOM 963 C MET A 427 -11.569 7.148 6.692 1.00 0.00 C ATOM 964 O MET A 427 -11.004 6.830 7.738 1.00 0.00 O ATOM 965 CB MET A 427 -12.708 5.558 5.118 1.00 0.00 C ATOM 966 CG MET A 427 -13.979 4.787 4.749 1.00 0.00 C ATOM 967 SD MET A 427 -13.790 3.616 3.370 1.00 0.00 S ATOM 968 CE MET A 427 -13.539 4.757 1.988 1.00 0.00 C ATOM 0 H MET A 427 -13.961 7.643 4.898 1.00 0.00 H new ATOM 0 HA MET A 427 -13.302 5.978 7.161 1.00 0.00 H new ATOM 0 HB2 MET A 427 -12.368 6.124 4.251 1.00 0.00 H new ATOM 0 HB3 MET A 427 -11.918 4.849 5.365 1.00 0.00 H new ATOM 0 HG2 MET A 427 -14.322 4.240 5.627 1.00 0.00 H new ATOM 0 HG3 MET A 427 -14.760 5.503 4.494 1.00 0.00 H new ATOM 0 HE1 MET A 427 -13.567 4.203 1.049 1.00 0.00 H new ATOM 0 HE2 MET A 427 -14.328 5.509 1.989 1.00 0.00 H new ATOM 0 HE3 MET A 427 -12.571 5.247 2.092 1.00 0.00 H new ATOM 978 N LYS A 428 -11.052 8.026 5.825 1.00 0.00 N ATOM 979 CA LYS A 428 -9.760 8.684 5.976 1.00 0.00 C ATOM 980 C LYS A 428 -9.572 9.444 7.299 1.00 0.00 C ATOM 981 O LYS A 428 -8.489 9.375 7.879 1.00 0.00 O ATOM 982 CB LYS A 428 -9.529 9.614 4.774 1.00 0.00 C ATOM 983 CG LYS A 428 -8.042 9.832 4.473 1.00 0.00 C ATOM 984 CD LYS A 428 -7.895 10.852 3.334 1.00 0.00 C ATOM 985 CE LYS A 428 -6.479 10.893 2.745 1.00 0.00 C ATOM 986 NZ LYS A 428 -5.448 11.183 3.758 1.00 0.00 N ATOM 0 H LYS A 428 -11.541 8.303 4.974 1.00 0.00 H new ATOM 0 HA LYS A 428 -9.011 7.893 6.006 1.00 0.00 H new ATOM 0 HB2 LYS A 428 -10.016 9.192 3.895 1.00 0.00 H new ATOM 0 HB3 LYS A 428 -10.001 10.577 4.969 1.00 0.00 H new ATOM 0 HG2 LYS A 428 -7.528 10.190 5.365 1.00 0.00 H new ATOM 0 HG3 LYS A 428 -7.574 8.888 4.193 1.00 0.00 H new ATOM 0 HD2 LYS A 428 -8.605 10.610 2.543 1.00 0.00 H new ATOM 0 HD3 LYS A 428 -8.157 11.843 3.705 1.00 0.00 H new ATOM 0 HE2 LYS A 428 -6.259 9.936 2.273 1.00 0.00 H new ATOM 0 HE3 LYS A 428 -6.437 11.651 1.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 428 -4.520 11.266 3.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 428 -5.676 12.076 4.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 428 -5.419 10.412 4.455 1.00 0.00 H new ATOM 1000 N LYS A 429 -10.607 10.175 7.747 1.00 0.00 N ATOM 1001 CA LYS A 429 -10.657 11.012 8.951 1.00 0.00 C ATOM 1002 C LYS A 429 -9.713 10.571 10.071 1.00 0.00 C ATOM 1003 O LYS A 429 -8.779 11.303 10.394 1.00 0.00 O ATOM 1004 CB LYS A 429 -12.103 11.114 9.464 1.00 0.00 C ATOM 1005 CG LYS A 429 -12.878 12.245 8.775 1.00 0.00 C ATOM 1006 CD LYS A 429 -14.391 12.057 8.961 1.00 0.00 C ATOM 1007 CE LYS A 429 -15.178 12.984 8.022 1.00 0.00 C ATOM 1008 NZ LYS A 429 -16.633 12.743 8.087 1.00 0.00 N ATOM 0 H LYS A 429 -11.491 10.196 7.239 1.00 0.00 H new ATOM 0 HA LYS A 429 -10.298 11.995 8.647 1.00 0.00 H new ATOM 0 HB2 LYS A 429 -12.616 10.167 9.294 1.00 0.00 H new ATOM 0 HB3 LYS A 429 -12.095 11.283 10.541 1.00 0.00 H new ATOM 0 HG2 LYS A 429 -12.572 13.206 9.188 1.00 0.00 H new ATOM 0 HG3 LYS A 429 -12.637 12.263 7.712 1.00 0.00 H new ATOM 0 HD2 LYS A 429 -14.660 11.019 8.763 1.00 0.00 H new ATOM 0 HD3 LYS A 429 -14.663 12.265 9.996 1.00 0.00 H new ATOM 0 HE2 LYS A 429 -14.972 14.022 8.283 1.00 0.00 H new ATOM 0 HE3 LYS A 429 -14.833 12.838 6.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 429 -17.122 13.391 7.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 429 -16.835 11.760 7.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 429 -16.969 12.907 9.057 1.00 0.00 H new