USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 273 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 396 HIS : no HD1:sc= 0.303 K(o=0.75,f=-3.3) USER MOD Set 1.2: A 405 THR OG1 : rot 35:sc= 0.448 USER MOD Single : A 377 THR OG1 : rot 180:sc= 0 USER MOD Single : A 380 SER OG : rot 180:sc= 0 USER MOD Single : A 382 ASN :FLIP amide:sc= -0.95 F(o=-3.6!,f=-0.95) USER MOD Single : A 383 LYS NZ :NH3+ -168:sc= -0.0141 (180deg=-0.206) USER MOD Single : A 384 LYS NZ :NH3+ -121:sc= -0.206 (180deg=-2.74!) USER MOD Single : A 386 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 387 ASN : amide:sc= 0.0264 K(o=0.026,f=-4!) USER MOD Single : A 390 LYS NZ :NH3+ -168:sc= -0.0249 (180deg=-0.227) USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ -132:sc= 0.712 (180deg=0.373) USER MOD Single : A 397 ASN : amide:sc= 0.891 K(o=0.89,f=-3.5!) USER MOD Single : A 401 ASN : amide:sc= -1.32 X(o=-1.3,f=-1.4) USER MOD Single : A 402 LYS NZ :NH3+ 164:sc= -0.0517 (180deg=-0.272) USER MOD Single : A 403 LYS NZ :NH3+ 132:sc= -0.0225 (180deg=-0.2) USER MOD Single : A 408 LYS NZ :NH3+ 169:sc= -0.0136 (180deg=-0.163) USER MOD Single : A 412 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 339 N GLU A 376 -3.155 5.182 -2.372 1.00 0.00 N ATOM 340 CA GLU A 376 -3.769 5.051 -3.689 1.00 0.00 C ATOM 341 C GLU A 376 -4.748 6.195 -3.956 1.00 0.00 C ATOM 342 O GLU A 376 -4.590 7.297 -3.430 1.00 0.00 O ATOM 343 CB GLU A 376 -4.483 3.699 -3.787 1.00 0.00 C ATOM 344 CG GLU A 376 -3.596 2.513 -3.434 1.00 0.00 C ATOM 345 CD GLU A 376 -2.427 2.347 -4.387 1.00 0.00 C ATOM 346 OE1 GLU A 376 -1.573 3.256 -4.447 1.00 0.00 O ATOM 347 OE2 GLU A 376 -2.366 1.307 -5.075 1.00 0.00 O ATOM 0 HA GLU A 376 -2.987 5.102 -4.447 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -5.348 3.705 -3.123 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -4.861 3.570 -4.801 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -3.217 2.638 -2.420 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -4.195 1.603 -3.440 1.00 0.00 H new ATOM 354 N THR A 377 -5.757 5.931 -4.781 1.00 0.00 N ATOM 355 CA THR A 377 -6.751 6.939 -5.124 1.00 0.00 C ATOM 356 C THR A 377 -8.120 6.307 -5.320 1.00 0.00 C ATOM 357 O THR A 377 -8.222 5.119 -5.620 1.00 0.00 O ATOM 358 CB THR A 377 -6.357 7.697 -6.406 1.00 0.00 C ATOM 359 OG1 THR A 377 -6.307 6.793 -7.516 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.004 8.371 -6.236 1.00 0.00 C ATOM 0 H THR A 377 -5.907 5.025 -5.225 1.00 0.00 H new ATOM 0 HA THR A 377 -6.794 7.644 -4.294 1.00 0.00 H new ATOM 0 HB THR A 377 -7.109 8.462 -6.596 1.00 0.00 H new ATOM 0 HG1 THR A 377 -6.058 7.284 -8.327 1.00 0.00 H new ATOM 0 HG21 THR A 377 -4.744 8.901 -7.152 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.052 9.079 -5.408 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.246 7.617 -6.025 1.00 0.00 H new ATOM 368 N GLU A 378 -9.168 7.104 -5.138 1.00 0.00 N ATOM 369 CA GLU A 378 -10.535 6.618 -5.285 1.00 0.00 C ATOM 370 C GLU A 378 -10.686 5.804 -6.562 1.00 0.00 C ATOM 371 O GLU A 378 -11.300 4.739 -6.562 1.00 0.00 O ATOM 372 CB GLU A 378 -11.519 7.788 -5.292 1.00 0.00 C ATOM 373 CG GLU A 378 -12.974 7.356 -5.364 1.00 0.00 C ATOM 374 CD GLU A 378 -13.930 8.533 -5.407 1.00 0.00 C ATOM 375 OE1 GLU A 378 -13.816 9.357 -6.340 1.00 0.00 O ATOM 376 OE2 GLU A 378 -14.793 8.630 -4.510 1.00 0.00 O ATOM 0 H GLU A 378 -9.096 8.090 -4.888 1.00 0.00 H new ATOM 0 HA GLU A 378 -10.758 5.973 -4.435 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.369 8.384 -4.392 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.297 8.434 -6.142 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.123 6.739 -6.250 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.208 6.734 -4.500 1.00 0.00 H new ATOM 383 N GLY A 379 -10.118 6.313 -7.646 1.00 0.00 N ATOM 384 CA GLY A 379 -10.199 5.621 -8.915 1.00 0.00 C ATOM 385 C GLY A 379 -9.496 4.280 -8.903 1.00 0.00 C ATOM 386 O GLY A 379 -10.002 3.304 -9.458 1.00 0.00 O ATOM 0 H GLY A 379 -9.603 7.193 -7.669 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.247 5.473 -9.176 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -9.762 6.247 -9.693 1.00 0.00 H new ATOM 390 N SER A 380 -8.328 4.228 -8.275 1.00 0.00 N ATOM 391 CA SER A 380 -7.563 2.991 -8.205 1.00 0.00 C ATOM 392 C SER A 380 -8.262 1.950 -7.337 1.00 0.00 C ATOM 393 O SER A 380 -8.427 0.802 -7.742 1.00 0.00 O ATOM 394 CB SER A 380 -6.166 3.265 -7.665 1.00 0.00 C ATOM 395 OG SER A 380 -5.405 2.073 -7.579 1.00 0.00 O ATOM 0 H SER A 380 -7.892 5.024 -7.809 1.00 0.00 H new ATOM 0 HA SER A 380 -7.487 2.591 -9.216 1.00 0.00 H new ATOM 0 HB2 SER A 380 -5.657 3.978 -8.313 1.00 0.00 H new ATOM 0 HB3 SER A 380 -6.238 3.725 -6.679 1.00 0.00 H new ATOM 0 HG SER A 380 -4.512 2.279 -7.231 1.00 0.00 H new ATOM 401 N CYS A 381 -8.665 2.361 -6.139 1.00 0.00 N ATOM 402 CA CYS A 381 -9.335 1.469 -5.196 1.00 0.00 C ATOM 403 C CYS A 381 -10.547 0.783 -5.821 1.00 0.00 C ATOM 404 O CYS A 381 -10.746 -0.419 -5.646 1.00 0.00 O ATOM 405 CB CYS A 381 -9.768 2.249 -3.956 1.00 0.00 C ATOM 406 SG CYS A 381 -8.396 3.047 -3.065 1.00 0.00 S ATOM 0 H CYS A 381 -8.538 3.313 -5.795 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.621 0.694 -4.915 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.487 3.012 -4.253 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.284 1.572 -3.276 1.00 0.00 H new ATOM 411 N ASN A 382 -11.358 1.552 -6.539 1.00 0.00 N ATOM 412 CA ASN A 382 -12.556 1.015 -7.181 1.00 0.00 C ATOM 413 C ASN A 382 -12.228 -0.198 -8.045 1.00 0.00 C ATOM 414 O ASN A 382 -13.060 -1.087 -8.225 1.00 0.00 O ATOM 415 CB ASN A 382 -13.228 2.085 -8.046 1.00 0.00 C ATOM 416 CG ASN A 382 -13.682 3.297 -7.252 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.435 3.289 -5.947 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.251 4.236 -7.810 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.209 2.549 -6.692 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.238 0.705 -6.389 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -12.532 2.406 -8.821 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.088 1.647 -8.552 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.422 4.204 -8.815 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.551 5.046 -7.267 1.00 0.00 H new ATOM 425 N LYS A 383 -11.020 -0.217 -8.595 1.00 0.00 N ATOM 426 CA LYS A 383 -10.589 -1.306 -9.459 1.00 0.00 C ATOM 427 C LYS A 383 -10.023 -2.471 -8.651 1.00 0.00 C ATOM 428 O LYS A 383 -10.125 -3.629 -9.057 1.00 0.00 O ATOM 429 CB LYS A 383 -9.542 -0.793 -10.448 1.00 0.00 C ATOM 430 CG LYS A 383 -9.936 0.514 -11.123 1.00 0.00 C ATOM 431 CD LYS A 383 -11.267 0.400 -11.856 1.00 0.00 C ATOM 432 CE LYS A 383 -11.215 -0.643 -12.962 1.00 0.00 C ATOM 433 NZ LYS A 383 -10.176 -0.322 -13.979 1.00 0.00 N ATOM 0 H LYS A 383 -10.320 0.512 -8.457 1.00 0.00 H new ATOM 0 HA LYS A 383 -11.459 -1.673 -10.004 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -8.597 -0.652 -9.924 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.373 -1.551 -11.212 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.001 1.303 -10.374 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -9.158 0.807 -11.828 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -12.052 0.138 -11.146 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -11.532 1.368 -12.281 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -11.009 -1.622 -12.529 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -12.189 -0.708 -13.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -10.305 -0.932 -14.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -10.265 0.674 -14.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -9.232 -0.484 -13.574 1.00 0.00 H new ATOM 447 N LYS A 384 -9.413 -2.154 -7.515 1.00 0.00 N ATOM 448 CA LYS A 384 -8.814 -3.161 -6.656 1.00 0.00 C ATOM 449 C LYS A 384 -9.859 -4.083 -6.037 1.00 0.00 C ATOM 450 O LYS A 384 -10.811 -3.624 -5.405 1.00 0.00 O ATOM 451 CB LYS A 384 -8.008 -2.466 -5.559 1.00 0.00 C ATOM 452 CG LYS A 384 -6.614 -2.010 -5.987 1.00 0.00 C ATOM 453 CD LYS A 384 -6.596 -1.348 -7.357 1.00 0.00 C ATOM 454 CE LYS A 384 -6.291 -2.346 -8.465 1.00 0.00 C ATOM 455 NZ LYS A 384 -6.243 -1.691 -9.802 1.00 0.00 N ATOM 0 H LYS A 384 -9.321 -1.199 -7.168 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.160 -3.784 -7.266 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -8.568 -1.599 -5.209 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -7.910 -3.146 -4.712 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -6.224 -1.311 -5.247 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -5.944 -2.870 -5.997 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -7.562 -0.879 -7.546 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -5.849 -0.555 -7.367 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -5.336 -2.832 -8.264 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -7.051 -3.127 -8.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -6.952 -2.125 -10.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -6.447 -0.676 -9.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -5.296 -1.813 -10.215 1.00 0.00 H new ATOM 469 N ASP A 385 -9.662 -5.391 -6.205 1.00 0.00 N ATOM 470 CA ASP A 385 -10.576 -6.379 -5.642 1.00 0.00 C ATOM 471 C ASP A 385 -10.416 -6.426 -4.128 1.00 0.00 C ATOM 472 O ASP A 385 -9.648 -5.652 -3.564 1.00 0.00 O ATOM 473 CB ASP A 385 -10.313 -7.763 -6.243 1.00 0.00 C ATOM 474 CG ASP A 385 -10.540 -7.796 -7.743 1.00 0.00 C ATOM 475 OD1 ASP A 385 -11.673 -7.504 -8.178 1.00 0.00 O ATOM 476 OD2 ASP A 385 -9.583 -8.114 -8.481 1.00 0.00 O ATOM 0 H ASP A 385 -8.879 -5.788 -6.725 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.598 -6.088 -5.886 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -9.287 -8.061 -6.027 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -10.964 -8.494 -5.764 1.00 0.00 H new ATOM 481 N GLN A 386 -11.137 -7.332 -3.473 1.00 0.00 N ATOM 482 CA GLN A 386 -11.062 -7.458 -2.020 1.00 0.00 C ATOM 483 C GLN A 386 -9.611 -7.489 -1.545 1.00 0.00 C ATOM 484 O GLN A 386 -9.208 -6.690 -0.699 1.00 0.00 O ATOM 485 CB GLN A 386 -11.788 -8.724 -1.558 1.00 0.00 C ATOM 486 CG GLN A 386 -11.753 -8.931 -0.052 1.00 0.00 C ATOM 487 CD GLN A 386 -12.488 -10.184 0.383 1.00 0.00 C ATOM 488 OE1 GLN A 386 -12.133 -11.294 -0.015 1.00 0.00 O ATOM 489 NE2 GLN A 386 -13.516 -10.013 1.205 1.00 0.00 N ATOM 0 H GLN A 386 -11.777 -7.987 -3.922 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.548 -6.586 -1.582 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.826 -8.677 -1.886 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.338 -9.589 -2.046 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.716 -8.990 0.279 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -12.196 -8.065 0.440 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -13.775 -9.075 1.509 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -14.047 -10.820 1.532 1.00 0.00 H new ATOM 498 N ASN A 387 -8.832 -8.410 -2.098 1.00 0.00 N ATOM 499 CA ASN A 387 -7.432 -8.547 -1.739 1.00 0.00 C ATOM 500 C ASN A 387 -6.626 -7.318 -2.157 1.00 0.00 C ATOM 501 O ASN A 387 -5.682 -6.923 -1.473 1.00 0.00 O ATOM 502 CB ASN A 387 -6.857 -9.798 -2.396 1.00 0.00 C ATOM 503 CG ASN A 387 -6.940 -9.750 -3.909 1.00 0.00 C ATOM 504 OD1 ASN A 387 -8.024 -9.630 -4.480 1.00 0.00 O ATOM 505 ND2 ASN A 387 -5.792 -9.846 -4.566 1.00 0.00 N ATOM 0 H ASN A 387 -9.152 -9.076 -2.801 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.364 -8.637 -0.655 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -5.816 -9.916 -2.096 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -7.394 -10.674 -2.034 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -5.784 -9.822 -5.586 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -4.917 -9.944 -4.052 1.00 0.00 H new ATOM 512 N GLU A 388 -6.999 -6.727 -3.287 1.00 0.00 N ATOM 513 CA GLU A 388 -6.306 -5.551 -3.805 1.00 0.00 C ATOM 514 C GLU A 388 -6.727 -4.288 -3.070 1.00 0.00 C ATOM 515 O GLU A 388 -6.063 -3.256 -3.177 1.00 0.00 O ATOM 516 CB GLU A 388 -6.563 -5.402 -5.303 1.00 0.00 C ATOM 517 CG GLU A 388 -6.063 -6.576 -6.126 1.00 0.00 C ATOM 518 CD GLU A 388 -6.309 -6.392 -7.611 1.00 0.00 C ATOM 519 OE1 GLU A 388 -5.790 -5.409 -8.181 1.00 0.00 O ATOM 520 OE2 GLU A 388 -7.019 -7.231 -8.203 1.00 0.00 O ATOM 0 H GLU A 388 -7.779 -7.043 -3.863 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.238 -5.693 -3.639 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -7.634 -5.283 -5.469 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.082 -4.490 -5.657 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -4.995 -6.709 -5.952 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.557 -7.488 -5.790 1.00 0.00 H new ATOM 527 N CYS A 389 -7.825 -4.365 -2.325 1.00 0.00 N ATOM 528 CA CYS A 389 -8.300 -3.211 -1.581 1.00 0.00 C ATOM 529 C CYS A 389 -7.218 -2.777 -0.601 1.00 0.00 C ATOM 530 O CYS A 389 -7.032 -3.385 0.453 1.00 0.00 O ATOM 531 CB CYS A 389 -9.603 -3.538 -0.849 1.00 0.00 C ATOM 532 SG CYS A 389 -10.554 -2.070 -0.341 1.00 0.00 S ATOM 0 H CYS A 389 -8.395 -5.205 -2.223 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.510 -2.393 -2.271 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -10.226 -4.156 -1.495 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -9.372 -4.133 0.035 1.00 0.00 H new ATOM 537 N LYS A 390 -6.481 -1.743 -0.985 1.00 0.00 N ATOM 538 CA LYS A 390 -5.377 -1.234 -0.183 1.00 0.00 C ATOM 539 C LYS A 390 -5.855 -0.539 1.089 1.00 0.00 C ATOM 540 O LYS A 390 -7.028 -0.189 1.220 1.00 0.00 O ATOM 541 CB LYS A 390 -4.527 -0.297 -1.030 1.00 0.00 C ATOM 542 CG LYS A 390 -3.863 -0.997 -2.211 1.00 0.00 C ATOM 543 CD LYS A 390 -2.731 -1.911 -1.762 1.00 0.00 C ATOM 544 CE LYS A 390 -1.617 -1.134 -1.077 1.00 0.00 C ATOM 545 NZ LYS A 390 -1.020 -0.106 -1.973 1.00 0.00 N ATOM 0 H LYS A 390 -6.631 -1.236 -1.857 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.774 -2.083 0.139 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.152 0.515 -1.401 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.758 0.153 -0.403 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -4.607 -1.580 -2.754 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -3.475 -0.251 -2.904 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -3.122 -2.665 -1.079 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -2.327 -2.441 -2.625 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -2.009 -0.651 -0.182 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -0.840 -1.826 -0.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -0.143 0.257 -1.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -0.807 -0.533 -2.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -1.693 0.677 -2.100 1.00 0.00 H new ATOM 559 N SER A 391 -4.930 -0.372 2.031 1.00 0.00 N ATOM 560 CA SER A 391 -5.231 0.251 3.320 1.00 0.00 C ATOM 561 C SER A 391 -5.934 1.600 3.164 1.00 0.00 C ATOM 562 O SER A 391 -7.006 1.801 3.734 1.00 0.00 O ATOM 563 CB SER A 391 -3.953 0.414 4.146 1.00 0.00 C ATOM 564 OG SER A 391 -4.229 1.017 5.398 1.00 0.00 O ATOM 0 H SER A 391 -3.958 -0.662 1.925 1.00 0.00 H new ATOM 0 HA SER A 391 -5.918 -0.414 3.844 1.00 0.00 H new ATOM 0 HB2 SER A 391 -3.490 -0.561 4.302 1.00 0.00 H new ATOM 0 HB3 SER A 391 -3.236 1.023 3.596 1.00 0.00 H new ATOM 0 HG SER A 391 -3.397 1.109 5.907 1.00 0.00 H new ATOM 570 N PRO A 392 -5.361 2.551 2.392 1.00 0.00 N ATOM 571 CA PRO A 392 -5.980 3.857 2.197 1.00 0.00 C ATOM 572 C PRO A 392 -7.424 3.716 1.736 1.00 0.00 C ATOM 573 O PRO A 392 -8.285 4.527 2.081 1.00 0.00 O ATOM 574 CB PRO A 392 -5.124 4.520 1.109 1.00 0.00 C ATOM 575 CG PRO A 392 -4.232 3.459 0.573 1.00 0.00 C ATOM 576 CD PRO A 392 -4.093 2.443 1.658 1.00 0.00 C ATOM 0 HA PRO A 392 -6.015 4.440 3.117 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.751 4.935 0.320 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.543 5.345 1.521 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -4.656 3.012 -0.326 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.261 3.870 0.298 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.947 1.441 1.254 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -3.238 2.655 2.300 1.00 0.00 H new ATOM 584 N CYS A 393 -7.677 2.671 0.954 1.00 0.00 N ATOM 585 CA CYS A 393 -9.011 2.399 0.438 1.00 0.00 C ATOM 586 C CYS A 393 -9.942 1.941 1.553 1.00 0.00 C ATOM 587 O CYS A 393 -9.513 1.304 2.516 1.00 0.00 O ATOM 588 CB CYS A 393 -8.957 1.321 -0.642 1.00 0.00 C ATOM 589 SG CYS A 393 -7.658 1.568 -1.893 1.00 0.00 S ATOM 0 H CYS A 393 -6.970 1.996 0.663 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.395 3.325 0.010 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.804 0.353 -0.164 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -9.924 1.279 -1.144 1.00 0.00 H new ATOM 594 N LYS A 394 -11.219 2.257 1.403 1.00 0.00 N ATOM 595 CA LYS A 394 -12.228 1.868 2.383 1.00 0.00 C ATOM 596 C LYS A 394 -12.999 0.656 1.882 1.00 0.00 C ATOM 597 O LYS A 394 -13.705 0.728 0.870 1.00 0.00 O ATOM 598 CB LYS A 394 -13.190 3.027 2.660 1.00 0.00 C ATOM 599 CG LYS A 394 -14.149 2.760 3.808 1.00 0.00 C ATOM 600 CD LYS A 394 -13.426 2.740 5.143 1.00 0.00 C ATOM 601 CE LYS A 394 -12.893 4.115 5.504 1.00 0.00 C ATOM 602 NZ LYS A 394 -13.990 5.105 5.688 1.00 0.00 N ATOM 0 H LYS A 394 -11.585 2.784 0.610 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.724 1.610 3.315 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -12.611 3.924 2.882 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.765 3.234 1.758 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -14.923 3.528 3.823 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -14.650 1.805 3.650 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -14.106 2.396 5.922 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -12.602 2.028 5.102 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -12.307 4.048 6.421 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -12.220 4.461 4.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -13.767 5.972 5.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -14.882 4.704 5.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -14.088 5.331 6.698 1.00 0.00 H new ATOM 616 N TRP A 395 -12.850 -0.457 2.589 1.00 0.00 N ATOM 617 CA TRP A 395 -13.518 -1.695 2.219 1.00 0.00 C ATOM 618 C TRP A 395 -14.912 -1.783 2.832 1.00 0.00 C ATOM 619 O TRP A 395 -15.073 -2.278 3.949 1.00 0.00 O ATOM 620 CB TRP A 395 -12.683 -2.898 2.661 1.00 0.00 C ATOM 621 CG TRP A 395 -13.288 -4.214 2.282 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.719 -5.191 3.131 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.518 -4.703 0.956 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.215 -6.253 2.415 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.101 -5.979 1.077 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.292 -4.185 -0.321 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.459 -6.743 -0.032 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.647 -4.943 -1.421 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.225 -6.210 -1.269 1.00 0.00 C ATOM 0 H TRP A 395 -12.270 -0.526 3.425 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.623 -1.703 1.134 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.689 -2.823 2.219 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.555 -2.864 3.743 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.676 -5.137 4.209 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.605 -7.107 2.814 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.847 -3.209 -0.447 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -14.905 -7.720 0.081 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.476 -4.552 -2.413 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.492 -6.778 -2.148 1.00 0.00 H new ATOM 640 N HIS A 396 -15.918 -1.317 2.100 1.00 0.00 N ATOM 641 CA HIS A 396 -17.289 -1.367 2.589 1.00 0.00 C ATOM 642 C HIS A 396 -17.785 -2.809 2.631 1.00 0.00 C ATOM 643 O HIS A 396 -17.965 -3.448 1.589 1.00 0.00 O ATOM 644 CB HIS A 396 -18.211 -0.522 1.710 1.00 0.00 C ATOM 645 CG HIS A 396 -17.885 0.938 1.732 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.924 1.700 2.881 1.00 0.00 N ATOM 647 CD2 HIS A 396 -17.512 1.779 0.738 1.00 0.00 C ATOM 648 CE1 HIS A 396 -17.590 2.945 2.593 1.00 0.00 C ATOM 649 NE2 HIS A 396 -17.334 3.020 1.300 1.00 0.00 N ATOM 0 H HIS A 396 -15.811 -0.904 1.174 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.304 -0.957 3.599 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -18.153 -0.884 0.683 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -19.241 -0.661 2.039 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -17.379 1.522 -0.303 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -17.536 3.763 3.296 1.00 0.00 H new ATOM 0 HE2 HIS A 396 -17.050 3.862 0.800 1.00 0.00 H new ATOM 658 N ASN A 397 -17.996 -3.307 3.847 1.00 0.00 N ATOM 659 CA ASN A 397 -18.467 -4.671 4.059 1.00 0.00 C ATOM 660 C ASN A 397 -19.986 -4.752 3.941 1.00 0.00 C ATOM 661 O ASN A 397 -20.686 -3.754 4.116 1.00 0.00 O ATOM 662 CB ASN A 397 -18.019 -5.182 5.429 1.00 0.00 C ATOM 663 CG ASN A 397 -18.504 -4.300 6.562 1.00 0.00 C ATOM 664 OD1 ASN A 397 -18.179 -3.114 6.625 1.00 0.00 O ATOM 665 ND2 ASN A 397 -19.286 -4.876 7.467 1.00 0.00 N ATOM 0 H ASN A 397 -17.846 -2.780 4.707 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.030 -5.301 3.285 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -18.393 -6.195 5.576 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -16.931 -5.237 5.455 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -19.642 -4.332 8.253 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -19.531 -5.862 7.376 1.00 0.00 H new ATOM 672 N ASP A 398 -20.485 -5.947 3.637 1.00 0.00 N ATOM 673 CA ASP A 398 -21.919 -6.172 3.485 1.00 0.00 C ATOM 674 C ASP A 398 -22.481 -5.307 2.364 1.00 0.00 C ATOM 675 O ASP A 398 -23.664 -4.965 2.358 1.00 0.00 O ATOM 676 CB ASP A 398 -22.653 -5.875 4.796 1.00 0.00 C ATOM 677 CG ASP A 398 -22.199 -6.773 5.931 1.00 0.00 C ATOM 678 OD1 ASP A 398 -20.995 -6.753 6.258 1.00 0.00 O ATOM 679 OD2 ASP A 398 -23.049 -7.496 6.492 1.00 0.00 O ATOM 0 H ASP A 398 -19.913 -6.779 3.490 1.00 0.00 H new ATOM 0 HA ASP A 398 -22.073 -7.220 3.228 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -22.489 -4.834 5.073 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -23.725 -6.000 4.645 1.00 0.00 H new ATOM 684 N ALA A 399 -21.622 -4.970 1.410 1.00 0.00 N ATOM 685 CA ALA A 399 -22.021 -4.158 0.271 1.00 0.00 C ATOM 686 C ALA A 399 -22.807 -4.991 -0.733 1.00 0.00 C ATOM 687 O ALA A 399 -22.639 -6.208 -0.805 1.00 0.00 O ATOM 688 CB ALA A 399 -20.798 -3.540 -0.392 1.00 0.00 C ATOM 0 H ALA A 399 -20.641 -5.249 1.404 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.666 -3.355 0.629 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -21.112 -2.935 -1.243 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.273 -2.911 0.327 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -20.132 -4.331 -0.736 1.00 0.00 H new ATOM 694 N GLU A 400 -23.664 -4.329 -1.507 1.00 0.00 N ATOM 695 CA GLU A 400 -24.474 -5.011 -2.512 1.00 0.00 C ATOM 696 C GLU A 400 -23.609 -5.951 -3.346 1.00 0.00 C ATOM 697 O GLU A 400 -24.056 -7.020 -3.762 1.00 0.00 O ATOM 698 CB GLU A 400 -25.169 -3.995 -3.425 1.00 0.00 C ATOM 699 CG GLU A 400 -26.206 -3.133 -2.717 1.00 0.00 C ATOM 700 CD GLU A 400 -25.604 -2.249 -1.642 1.00 0.00 C ATOM 701 OE1 GLU A 400 -24.735 -1.417 -1.975 1.00 0.00 O ATOM 702 OE2 GLU A 400 -26.002 -2.391 -0.467 1.00 0.00 O ATOM 0 H GLU A 400 -23.815 -3.321 -1.457 1.00 0.00 H new ATOM 0 HA GLU A 400 -25.235 -5.596 -1.995 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -24.415 -3.346 -3.870 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -25.653 -4.529 -4.243 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -26.714 -2.508 -3.451 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -26.962 -3.778 -2.269 1.00 0.00 H new ATOM 709 N ASN A 401 -22.366 -5.540 -3.576 1.00 0.00 N ATOM 710 CA ASN A 401 -21.418 -6.334 -4.351 1.00 0.00 C ATOM 711 C ASN A 401 -19.990 -6.009 -3.926 1.00 0.00 C ATOM 712 O ASN A 401 -19.073 -5.995 -4.748 1.00 0.00 O ATOM 713 CB ASN A 401 -21.591 -6.049 -5.843 1.00 0.00 C ATOM 714 CG ASN A 401 -23.005 -6.302 -6.320 1.00 0.00 C ATOM 715 OD1 ASN A 401 -23.423 -7.448 -6.491 1.00 0.00 O ATOM 716 ND2 ASN A 401 -23.760 -5.227 -6.501 1.00 0.00 N ATOM 0 H ASN A 401 -21.990 -4.656 -3.234 1.00 0.00 H new ATOM 0 HA ASN A 401 -21.612 -7.390 -4.165 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -21.323 -5.012 -6.045 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -20.902 -6.673 -6.411 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -24.732 -5.330 -6.794 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -23.369 -4.298 -6.347 1.00 0.00 H new ATOM 723 N LYS A 402 -19.820 -5.742 -2.631 1.00 0.00 N ATOM 724 CA LYS A 402 -18.512 -5.404 -2.067 1.00 0.00 C ATOM 725 C LYS A 402 -18.017 -4.069 -2.613 1.00 0.00 C ATOM 726 O LYS A 402 -18.041 -3.837 -3.821 1.00 0.00 O ATOM 727 CB LYS A 402 -17.491 -6.503 -2.372 1.00 0.00 C ATOM 728 CG LYS A 402 -17.852 -7.861 -1.788 1.00 0.00 C ATOM 729 CD LYS A 402 -17.926 -7.818 -0.270 1.00 0.00 C ATOM 730 CE LYS A 402 -18.263 -9.181 0.311 1.00 0.00 C ATOM 731 NZ LYS A 402 -17.270 -10.217 -0.092 1.00 0.00 N ATOM 0 H LYS A 402 -20.578 -5.753 -1.948 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.625 -5.320 -0.986 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -17.388 -6.599 -3.453 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.518 -6.199 -1.985 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -18.811 -8.187 -2.190 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -17.110 -8.598 -2.096 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -16.972 -7.476 0.132 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -18.680 -7.094 0.038 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -18.297 -9.114 1.398 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -19.257 -9.482 -0.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -17.368 -11.050 0.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -17.440 -10.495 -1.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -16.309 -9.830 -0.001 1.00 0.00 H new ATOM 745 N LYS A 403 -17.575 -3.183 -1.721 1.00 0.00 N ATOM 746 CA LYS A 403 -17.091 -1.873 -2.146 1.00 0.00 C ATOM 747 C LYS A 403 -15.707 -1.566 -1.579 1.00 0.00 C ATOM 748 O LYS A 403 -15.377 -1.962 -0.463 1.00 0.00 O ATOM 749 CB LYS A 403 -18.079 -0.783 -1.730 1.00 0.00 C ATOM 750 CG LYS A 403 -19.473 -0.977 -2.304 1.00 0.00 C ATOM 751 CD LYS A 403 -20.430 0.115 -1.845 1.00 0.00 C ATOM 752 CE LYS A 403 -20.004 1.487 -2.349 1.00 0.00 C ATOM 753 NZ LYS A 403 -19.975 1.551 -3.836 1.00 0.00 N ATOM 0 H LYS A 403 -17.542 -3.346 -0.715 1.00 0.00 H new ATOM 0 HA LYS A 403 -17.008 -1.892 -3.233 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.143 -0.758 -0.642 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.695 0.186 -2.049 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -19.421 -0.980 -3.393 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -19.859 -1.950 -2.000 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -21.435 -0.108 -2.203 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -20.475 0.125 -0.756 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -20.690 2.243 -1.967 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -19.016 1.727 -1.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -20.472 2.407 -4.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -18.988 1.580 -4.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -20.445 0.711 -4.229 1.00 0.00 H new ATOM 767 N CYS A 404 -14.907 -0.848 -2.365 1.00 0.00 N ATOM 768 CA CYS A 404 -13.556 -0.465 -1.961 1.00 0.00 C ATOM 769 C CYS A 404 -13.272 0.974 -2.383 1.00 0.00 C ATOM 770 O CYS A 404 -12.430 1.221 -3.244 1.00 0.00 O ATOM 771 CB CYS A 404 -12.511 -1.398 -2.586 1.00 0.00 C ATOM 772 SG CYS A 404 -10.799 -1.034 -2.077 1.00 0.00 S ATOM 0 H CYS A 404 -15.174 -0.518 -3.292 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.491 -0.547 -0.876 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.749 -2.427 -2.316 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.580 -1.329 -3.672 1.00 0.00 H new ATOM 777 N THR A 405 -13.990 1.922 -1.784 1.00 0.00 N ATOM 778 CA THR A 405 -13.813 3.334 -2.119 1.00 0.00 C ATOM 779 C THR A 405 -12.726 3.980 -1.270 1.00 0.00 C ATOM 780 O THR A 405 -12.737 3.873 -0.049 1.00 0.00 O ATOM 781 CB THR A 405 -15.115 4.132 -1.945 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.563 4.051 -0.587 1.00 0.00 O ATOM 783 CG2 THR A 405 -16.200 3.613 -2.876 1.00 0.00 C ATOM 0 H THR A 405 -14.695 1.741 -1.069 1.00 0.00 H new ATOM 0 HA THR A 405 -13.516 3.360 -3.168 1.00 0.00 H new ATOM 0 HB THR A 405 -14.912 5.173 -2.198 1.00 0.00 H new ATOM 0 HG1 THR A 405 -14.788 4.032 0.013 1.00 0.00 H new ATOM 0 HG21 THR A 405 -17.111 4.194 -2.733 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.868 3.707 -3.910 1.00 0.00 H new ATOM 0 HG23 THR A 405 -16.400 2.565 -2.653 1.00 0.00 H new ATOM 791 N LEU A 406 -11.801 4.662 -1.931 1.00 0.00 N ATOM 792 CA LEU A 406 -10.705 5.336 -1.249 1.00 0.00 C ATOM 793 C LEU A 406 -11.236 6.376 -0.272 1.00 0.00 C ATOM 794 O LEU A 406 -12.232 7.048 -0.538 1.00 0.00 O ATOM 795 CB LEU A 406 -9.775 5.984 -2.277 1.00 0.00 C ATOM 796 CG LEU A 406 -8.440 6.512 -1.747 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.628 7.809 -0.984 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.758 5.471 -0.874 1.00 0.00 C ATOM 0 H LEU A 406 -11.788 4.763 -2.946 1.00 0.00 H new ATOM 0 HA LEU A 406 -10.140 4.599 -0.678 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.568 5.253 -3.059 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.308 6.811 -2.747 1.00 0.00 H new ATOM 0 HG LEU A 406 -7.798 6.717 -2.604 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.663 8.160 -0.620 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.061 8.560 -1.644 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.295 7.640 -0.139 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.811 5.867 -0.508 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.401 5.228 -0.028 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.573 4.570 -1.459 1.00 0.00 H new ATOM 810 N ASP A 407 -10.558 6.500 0.860 1.00 0.00 N ATOM 811 CA ASP A 407 -10.949 7.456 1.890 1.00 0.00 C ATOM 812 C ASP A 407 -10.005 8.655 1.897 1.00 0.00 C ATOM 813 O ASP A 407 -8.786 8.492 1.925 1.00 0.00 O ATOM 814 CB ASP A 407 -10.953 6.779 3.262 1.00 0.00 C ATOM 815 CG ASP A 407 -11.536 7.666 4.347 1.00 0.00 C ATOM 816 OD1 ASP A 407 -10.975 8.754 4.590 1.00 0.00 O ATOM 817 OD2 ASP A 407 -12.553 7.271 4.954 1.00 0.00 O ATOM 0 H ASP A 407 -9.731 5.949 1.090 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.955 7.811 1.668 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.528 5.854 3.206 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -9.933 6.504 3.531 1.00 0.00 H new ATOM 822 N LYS A 408 -10.573 9.858 1.869 1.00 0.00 N ATOM 823 CA LYS A 408 -9.773 11.081 1.866 1.00 0.00 C ATOM 824 C LYS A 408 -8.978 11.231 3.162 1.00 0.00 C ATOM 825 O LYS A 408 -7.782 11.516 3.135 1.00 0.00 O ATOM 826 CB LYS A 408 -10.670 12.306 1.668 1.00 0.00 C ATOM 827 CG LYS A 408 -11.369 12.342 0.318 1.00 0.00 C ATOM 828 CD LYS A 408 -12.256 13.571 0.179 1.00 0.00 C ATOM 829 CE LYS A 408 -11.455 14.860 0.287 1.00 0.00 C ATOM 830 NZ LYS A 408 -10.401 14.951 -0.762 1.00 0.00 N ATOM 0 H LYS A 408 -11.581 10.013 1.848 1.00 0.00 H new ATOM 0 HA LYS A 408 -9.069 11.010 1.037 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -11.422 12.326 2.457 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -10.068 13.208 1.779 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -10.624 12.338 -0.478 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -11.972 11.442 0.195 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -12.770 13.542 -0.782 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -13.024 13.554 0.952 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -12.128 15.713 0.200 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -10.992 14.918 1.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -10.005 15.913 -0.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -9.645 14.268 -0.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -10.816 14.736 -1.691 1.00 0.00 H new ATOM 844 N GLU A 409 -9.654 11.048 4.293 1.00 0.00 N ATOM 845 CA GLU A 409 -9.021 11.171 5.600 1.00 0.00 C ATOM 846 C GLU A 409 -7.894 10.155 5.774 1.00 0.00 C ATOM 847 O GLU A 409 -6.818 10.487 6.274 1.00 0.00 O ATOM 848 CB GLU A 409 -10.062 10.989 6.706 1.00 0.00 C ATOM 849 CG GLU A 409 -9.487 11.098 8.107 1.00 0.00 C ATOM 850 CD GLU A 409 -10.533 10.901 9.187 1.00 0.00 C ATOM 851 OE1 GLU A 409 -11.146 9.815 9.228 1.00 0.00 O ATOM 852 OE2 GLU A 409 -10.739 11.834 9.991 1.00 0.00 O ATOM 0 H GLU A 409 -10.646 10.813 4.329 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.588 12.169 5.669 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -10.844 11.739 6.584 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -10.535 10.014 6.591 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -8.699 10.355 8.231 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -9.024 12.077 8.230 1.00 0.00 H new ATOM 859 N GLU A 410 -8.147 8.917 5.369 1.00 0.00 N ATOM 860 CA GLU A 410 -7.154 7.855 5.490 1.00 0.00 C ATOM 861 C GLU A 410 -5.969 8.104 4.562 1.00 0.00 C ATOM 862 O GLU A 410 -4.813 8.004 4.973 1.00 0.00 O ATOM 863 CB GLU A 410 -7.790 6.499 5.176 1.00 0.00 C ATOM 864 CG GLU A 410 -6.830 5.325 5.300 1.00 0.00 C ATOM 865 CD GLU A 410 -6.331 5.113 6.720 1.00 0.00 C ATOM 866 OE1 GLU A 410 -6.778 5.849 7.626 1.00 0.00 O ATOM 867 OE2 GLU A 410 -5.499 4.206 6.926 1.00 0.00 O ATOM 0 H GLU A 410 -9.031 8.623 4.954 1.00 0.00 H new ATOM 0 HA GLU A 410 -6.788 7.849 6.517 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -8.633 6.339 5.849 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -8.191 6.523 4.163 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -7.328 4.418 4.957 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -5.977 5.489 4.642 1.00 0.00 H new ATOM 874 N ALA A 411 -6.265 8.419 3.304 1.00 0.00 N ATOM 875 CA ALA A 411 -5.228 8.671 2.309 1.00 0.00 C ATOM 876 C ALA A 411 -4.318 9.826 2.712 1.00 0.00 C ATOM 877 O ALA A 411 -3.096 9.712 2.641 1.00 0.00 O ATOM 878 CB ALA A 411 -5.857 8.950 0.953 1.00 0.00 C ATOM 0 H ALA A 411 -7.217 8.506 2.949 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.612 7.774 2.245 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -5.073 9.136 0.219 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.448 8.088 0.642 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.502 9.826 1.024 1.00 0.00 H new ATOM 884 N LYS A 412 -4.914 10.940 3.121 1.00 0.00 N ATOM 885 CA LYS A 412 -4.140 12.109 3.522 1.00 0.00 C ATOM 886 C LYS A 412 -3.270 11.794 4.734 1.00 0.00 C ATOM 887 O LYS A 412 -2.106 12.188 4.793 1.00 0.00 O ATOM 888 CB LYS A 412 -5.066 13.291 3.827 1.00 0.00 C ATOM 889 CG LYS A 412 -6.002 13.052 5.003 1.00 0.00 C ATOM 890 CD LYS A 412 -6.860 14.272 5.295 1.00 0.00 C ATOM 891 CE LYS A 412 -6.015 15.454 5.745 1.00 0.00 C ATOM 892 NZ LYS A 412 -6.847 16.651 6.043 1.00 0.00 N ATOM 0 H LYS A 412 -5.925 11.059 3.184 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.488 12.382 2.692 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -4.459 14.173 4.032 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -5.661 13.512 2.941 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -6.645 12.198 4.789 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -5.418 12.798 5.887 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -7.422 14.545 4.402 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -7.588 14.029 6.069 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -5.447 15.177 6.633 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -5.291 15.700 4.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -6.233 17.434 6.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -7.370 16.932 5.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -7.521 16.425 6.803 1.00 0.00 H new