USER MOD reduce.3.24.130724 H: found=0, std=0, add=355, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 347 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 CYS SG : rot 174:sc= -2.28! USER MOD Set 1.2: A 398 HIS : no HE2:sc= -1.55! C(o=-6.4!,f=-20!) USER MOD Set 1.3: A 416 CYS SG : rot 109:sc= 1.52 USER MOD Set 1.4: A 419 CYS SG : rot 116:sc= -5.16! USER MOD Set 1.5: A 421 CYS SG : rot 99:sc= 1.07! USER MOD Set 2.1: A 381 CYS SG : rot -126:sc= -1.75! USER MOD Set 2.2: A 384 CYS SG : rot -130:sc= -2.94! USER MOD Set 2.3: A 387 ASN : amide:sc= 0.476 K(o=-13,f=-15) USER MOD Set 2.4: A 401 CYS SG : rot -57:sc= -5.01! USER MOD Set 2.5: A 404 CYS SG : rot 79:sc= -3.6! USER MOD Single : A 382 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 389 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 392 LYS NZ :NH3+ -155:sc= 2.41 (180deg=2.11) USER MOD Single : A 400 MET CE :methyl -116:sc= -1.53 (180deg=-2.23) USER MOD Single : A 402 THR OG1 : rot 180:sc= -1.1 USER MOD Single : A 403 SER OG : rot 180:sc= 0.00527 USER MOD Single : A 406 THR OG1 : rot 87:sc= 1.23 USER MOD Single : A 407 SER OG : rot 180:sc= 0 USER MOD Single : A 409 GLN : amide:sc= -0.0333 K(o=-0.033,f=-0.61) USER MOD Single : A 411 SER OG : rot -42:sc= 0.524 USER MOD Single : A 414 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 424 LYS NZ :NH3+ 168:sc= -0.0171 (180deg=-0.201) USER MOD Single : A 426 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 394 N LEU A 380 8.898 -9.593 -1.637 1.00 0.00 N ATOM 395 CA LEU A 380 8.165 -10.362 -0.608 1.00 0.00 C ATOM 396 C LEU A 380 8.099 -11.873 -0.849 1.00 0.00 C ATOM 397 O LEU A 380 8.066 -12.347 -1.992 1.00 0.00 O ATOM 398 CB LEU A 380 6.739 -9.836 -0.392 1.00 0.00 C ATOM 399 CG LEU A 380 6.582 -8.481 0.297 1.00 0.00 C ATOM 400 CD1 LEU A 380 5.111 -8.142 0.436 1.00 0.00 C ATOM 401 CD2 LEU A 380 7.230 -8.498 1.671 1.00 0.00 C ATOM 0 HA LEU A 380 8.765 -10.206 0.289 1.00 0.00 H new ATOM 0 HB2 LEU A 380 6.252 -9.777 -1.365 1.00 0.00 H new ATOM 0 HB3 LEU A 380 6.193 -10.576 0.193 1.00 0.00 H new ATOM 0 HG LEU A 380 7.076 -7.726 -0.314 1.00 0.00 H new ATOM 0 HD11 LEU A 380 5.005 -7.175 0.928 1.00 0.00 H new ATOM 0 HD12 LEU A 380 4.653 -8.099 -0.552 1.00 0.00 H new ATOM 0 HD13 LEU A 380 4.616 -8.908 1.032 1.00 0.00 H new ATOM 0 HD21 LEU A 380 7.106 -7.524 2.144 1.00 0.00 H new ATOM 0 HD22 LEU A 380 6.757 -9.263 2.287 1.00 0.00 H new ATOM 0 HD23 LEU A 380 8.292 -8.720 1.570 1.00 0.00 H new ATOM 413 N CYS A 381 8.082 -12.605 0.258 1.00 0.00 N ATOM 414 CA CYS A 381 7.849 -14.028 0.282 1.00 0.00 C ATOM 415 C CYS A 381 6.388 -14.225 -0.023 1.00 0.00 C ATOM 416 O CYS A 381 5.534 -13.792 0.742 1.00 0.00 O ATOM 417 CB CYS A 381 8.186 -14.572 1.691 1.00 0.00 C ATOM 418 SG CYS A 381 7.655 -16.319 2.088 1.00 0.00 S ATOM 0 H CYS A 381 8.235 -12.206 1.184 1.00 0.00 H new ATOM 0 HA CYS A 381 8.469 -14.557 -0.442 1.00 0.00 H new ATOM 0 HB2 CYS A 381 9.266 -14.509 1.827 1.00 0.00 H new ATOM 0 HB3 CYS A 381 7.733 -13.907 2.426 1.00 0.00 H new ATOM 0 HG CYS A 381 6.947 -16.320 3.178 1.00 0.00 H new ATOM 423 N LYS A 382 6.095 -14.886 -1.111 1.00 0.00 N ATOM 424 CA LYS A 382 4.725 -14.987 -1.588 1.00 0.00 C ATOM 425 C LYS A 382 3.862 -15.929 -0.710 1.00 0.00 C ATOM 426 O LYS A 382 2.643 -16.005 -0.878 1.00 0.00 O ATOM 427 CB LYS A 382 4.715 -15.435 -3.058 1.00 0.00 C ATOM 428 CG LYS A 382 3.463 -15.042 -3.825 1.00 0.00 C ATOM 429 CD LYS A 382 3.375 -13.528 -3.957 1.00 0.00 C ATOM 430 CE LYS A 382 2.142 -13.094 -4.709 1.00 0.00 C ATOM 431 NZ LYS A 382 2.095 -11.628 -4.863 1.00 0.00 N ATOM 0 H LYS A 382 6.783 -15.367 -1.691 1.00 0.00 H new ATOM 0 HA LYS A 382 4.273 -13.998 -1.514 1.00 0.00 H new ATOM 0 HB2 LYS A 382 5.583 -15.009 -3.561 1.00 0.00 H new ATOM 0 HB3 LYS A 382 4.824 -16.519 -3.096 1.00 0.00 H new ATOM 0 HG2 LYS A 382 3.476 -15.500 -4.814 1.00 0.00 H new ATOM 0 HG3 LYS A 382 2.580 -15.421 -3.311 1.00 0.00 H new ATOM 0 HD2 LYS A 382 3.371 -13.078 -2.964 1.00 0.00 H new ATOM 0 HD3 LYS A 382 4.262 -13.157 -4.471 1.00 0.00 H new ATOM 0 HE2 LYS A 382 2.128 -13.565 -5.692 1.00 0.00 H new ATOM 0 HE3 LYS A 382 1.252 -13.435 -4.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 382 1.235 -11.361 -5.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 382 2.084 -11.181 -3.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 382 2.933 -11.307 -5.389 1.00 0.00 H new ATOM 445 N ILE A 383 4.491 -16.619 0.228 1.00 0.00 N ATOM 446 CA ILE A 383 3.771 -17.545 1.092 1.00 0.00 C ATOM 447 C ILE A 383 3.091 -16.781 2.220 1.00 0.00 C ATOM 448 O ILE A 383 1.901 -16.931 2.461 1.00 0.00 O ATOM 449 CB ILE A 383 4.719 -18.604 1.720 1.00 0.00 C ATOM 450 CG1 ILE A 383 5.577 -19.240 0.637 1.00 0.00 C ATOM 451 CG2 ILE A 383 3.903 -19.683 2.442 1.00 0.00 C ATOM 452 CD1 ILE A 383 6.581 -20.246 1.139 1.00 0.00 C ATOM 0 H ILE A 383 5.493 -16.557 0.411 1.00 0.00 H new ATOM 0 HA ILE A 383 3.034 -18.056 0.473 1.00 0.00 H new ATOM 0 HB ILE A 383 5.367 -18.110 2.444 1.00 0.00 H new ATOM 0 HG12 ILE A 383 4.923 -19.729 -0.085 1.00 0.00 H new ATOM 0 HG13 ILE A 383 6.108 -18.452 0.104 1.00 0.00 H new ATOM 0 HG21 ILE A 383 4.578 -20.419 2.878 1.00 0.00 H new ATOM 0 HG22 ILE A 383 3.309 -19.223 3.232 1.00 0.00 H new ATOM 0 HG23 ILE A 383 3.240 -20.175 1.730 1.00 0.00 H new ATOM 0 HD11 ILE A 383 7.147 -20.646 0.298 1.00 0.00 H new ATOM 0 HD12 ILE A 383 7.263 -19.762 1.837 1.00 0.00 H new ATOM 0 HD13 ILE A 383 6.060 -21.058 1.645 1.00 0.00 H new ATOM 464 N CYS A 384 3.853 -15.947 2.879 1.00 0.00 N ATOM 465 CA CYS A 384 3.374 -15.227 4.033 1.00 0.00 C ATOM 466 C CYS A 384 3.003 -13.784 3.689 1.00 0.00 C ATOM 467 O CYS A 384 2.109 -13.196 4.303 1.00 0.00 O ATOM 468 CB CYS A 384 4.462 -15.296 5.114 1.00 0.00 C ATOM 469 SG CYS A 384 6.186 -15.105 4.442 1.00 0.00 S ATOM 0 H CYS A 384 4.822 -15.747 2.632 1.00 0.00 H new ATOM 0 HA CYS A 384 2.457 -15.686 4.402 1.00 0.00 H new ATOM 0 HB2 CYS A 384 4.280 -14.515 5.853 1.00 0.00 H new ATOM 0 HB3 CYS A 384 4.387 -16.251 5.634 1.00 0.00 H new ATOM 0 HG CYS A 384 6.940 -16.058 4.903 1.00 0.00 H new ATOM 474 N ALA A 385 3.710 -13.229 2.695 1.00 0.00 N ATOM 475 CA ALA A 385 3.565 -11.836 2.231 1.00 0.00 C ATOM 476 C ALA A 385 4.001 -10.852 3.309 1.00 0.00 C ATOM 477 O ALA A 385 3.777 -9.654 3.212 1.00 0.00 O ATOM 478 CB ALA A 385 2.148 -11.542 1.728 1.00 0.00 C ATOM 0 H ALA A 385 4.418 -13.748 2.176 1.00 0.00 H new ATOM 0 HA ALA A 385 4.230 -11.705 1.377 1.00 0.00 H new ATOM 0 HB1 ALA A 385 2.087 -10.505 1.397 1.00 0.00 H new ATOM 0 HB2 ALA A 385 1.913 -12.204 0.894 1.00 0.00 H new ATOM 0 HB3 ALA A 385 1.434 -11.707 2.535 1.00 0.00 H new ATOM 484 N GLU A 386 4.663 -11.377 4.311 1.00 0.00 N ATOM 485 CA GLU A 386 5.124 -10.595 5.432 1.00 0.00 C ATOM 486 C GLU A 386 6.609 -10.368 5.324 1.00 0.00 C ATOM 487 O GLU A 386 7.088 -9.229 5.304 1.00 0.00 O ATOM 488 CB GLU A 386 4.837 -11.340 6.722 1.00 0.00 C ATOM 489 CG GLU A 386 3.376 -11.592 7.001 1.00 0.00 C ATOM 490 CD GLU A 386 3.202 -12.521 8.160 1.00 0.00 C ATOM 491 OE1 GLU A 386 3.669 -12.203 9.268 1.00 0.00 O ATOM 492 OE2 GLU A 386 2.616 -13.601 7.986 1.00 0.00 O ATOM 0 H GLU A 386 4.899 -12.367 4.372 1.00 0.00 H new ATOM 0 HA GLU A 386 4.606 -9.636 5.430 1.00 0.00 H new ATOM 0 HB2 GLU A 386 5.357 -12.298 6.694 1.00 0.00 H new ATOM 0 HB3 GLU A 386 5.258 -10.773 7.553 1.00 0.00 H new ATOM 0 HG2 GLU A 386 2.874 -10.647 7.210 1.00 0.00 H new ATOM 0 HG3 GLU A 386 2.901 -12.016 6.116 1.00 0.00 H new ATOM 499 N ASN A 387 7.331 -11.459 5.244 1.00 0.00 N ATOM 500 CA ASN A 387 8.770 -11.415 5.183 1.00 0.00 C ATOM 501 C ASN A 387 9.177 -11.323 3.750 1.00 0.00 C ATOM 502 O ASN A 387 8.370 -11.599 2.841 1.00 0.00 O ATOM 503 CB ASN A 387 9.404 -12.685 5.779 1.00 0.00 C ATOM 504 CG ASN A 387 9.003 -12.995 7.210 1.00 0.00 C ATOM 505 OD1 ASN A 387 8.707 -12.105 8.017 1.00 0.00 O ATOM 506 ND2 ASN A 387 8.990 -14.263 7.540 1.00 0.00 N ATOM 0 H ASN A 387 6.938 -12.400 5.219 1.00 0.00 H new ATOM 0 HA ASN A 387 9.111 -10.554 5.758 1.00 0.00 H new ATOM 0 HB2 ASN A 387 9.136 -13.535 5.151 1.00 0.00 H new ATOM 0 HB3 ASN A 387 10.489 -12.586 5.736 1.00 0.00 H new ATOM 0 HD21 ASN A 387 8.730 -14.541 8.486 1.00 0.00 H new ATOM 0 HD22 ASN A 387 9.239 -14.972 6.850 1.00 0.00 H new ATOM 513 N ASP A 388 10.396 -10.962 3.531 1.00 0.00 N ATOM 514 CA ASP A 388 10.931 -10.873 2.198 1.00 0.00 C ATOM 515 C ASP A 388 11.472 -12.233 1.814 1.00 0.00 C ATOM 516 O ASP A 388 11.682 -13.080 2.686 1.00 0.00 O ATOM 517 CB ASP A 388 12.024 -9.798 2.112 1.00 0.00 C ATOM 518 CG ASP A 388 11.532 -8.411 2.510 1.00 0.00 C ATOM 519 OD1 ASP A 388 10.510 -7.940 1.980 1.00 0.00 O ATOM 520 OD2 ASP A 388 12.138 -7.781 3.404 1.00 0.00 O ATOM 0 H ASP A 388 11.058 -10.718 4.267 1.00 0.00 H new ATOM 0 HA ASP A 388 10.144 -10.579 1.503 1.00 0.00 H new ATOM 0 HB2 ASP A 388 12.855 -10.081 2.758 1.00 0.00 H new ATOM 0 HB3 ASP A 388 12.410 -9.762 1.093 1.00 0.00 H new ATOM 525 N LYS A 389 11.651 -12.487 0.543 1.00 0.00 N ATOM 526 CA LYS A 389 12.148 -13.768 0.136 1.00 0.00 C ATOM 527 C LYS A 389 13.654 -13.834 0.303 1.00 0.00 C ATOM 528 O LYS A 389 14.422 -13.139 -0.377 1.00 0.00 O ATOM 529 CB LYS A 389 11.602 -14.217 -1.237 1.00 0.00 C ATOM 530 CG LYS A 389 11.936 -13.374 -2.451 1.00 0.00 C ATOM 531 CD LYS A 389 10.988 -13.752 -3.581 1.00 0.00 C ATOM 532 CE LYS A 389 11.340 -13.090 -4.899 1.00 0.00 C ATOM 533 NZ LYS A 389 10.326 -13.385 -5.941 1.00 0.00 N ATOM 0 H LYS A 389 11.462 -11.832 -0.215 1.00 0.00 H new ATOM 0 HA LYS A 389 11.751 -14.528 0.808 1.00 0.00 H new ATOM 0 HB2 LYS A 389 11.963 -15.228 -1.424 1.00 0.00 H new ATOM 0 HB3 LYS A 389 10.516 -14.275 -1.161 1.00 0.00 H new ATOM 0 HG2 LYS A 389 11.839 -12.315 -2.214 1.00 0.00 H new ATOM 0 HG3 LYS A 389 12.970 -13.539 -2.753 1.00 0.00 H new ATOM 0 HD2 LYS A 389 11.000 -14.834 -3.710 1.00 0.00 H new ATOM 0 HD3 LYS A 389 9.971 -13.475 -3.302 1.00 0.00 H new ATOM 0 HE2 LYS A 389 11.415 -12.012 -4.758 1.00 0.00 H new ATOM 0 HE3 LYS A 389 12.318 -13.437 -5.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 389 10.596 -12.918 -6.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 389 10.272 -14.413 -6.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 389 9.398 -13.032 -5.632 1.00 0.00 H new ATOM 547 N ASP A 390 14.046 -14.658 1.244 1.00 0.00 N ATOM 548 CA ASP A 390 15.404 -14.695 1.750 1.00 0.00 C ATOM 549 C ASP A 390 16.146 -15.969 1.357 1.00 0.00 C ATOM 550 O ASP A 390 17.367 -15.968 1.238 1.00 0.00 O ATOM 551 CB ASP A 390 15.337 -14.563 3.278 1.00 0.00 C ATOM 552 CG ASP A 390 16.678 -14.448 3.961 1.00 0.00 C ATOM 553 OD1 ASP A 390 17.288 -13.358 3.914 1.00 0.00 O ATOM 554 OD2 ASP A 390 17.104 -15.401 4.620 1.00 0.00 O ATOM 0 H ASP A 390 13.424 -15.333 1.689 1.00 0.00 H new ATOM 0 HA ASP A 390 15.966 -13.872 1.308 1.00 0.00 H new ATOM 0 HB2 ASP A 390 14.741 -13.685 3.527 1.00 0.00 H new ATOM 0 HB3 ASP A 390 14.812 -15.429 3.681 1.00 0.00 H new ATOM 559 N VAL A 391 15.422 -17.038 1.109 1.00 0.00 N ATOM 560 CA VAL A 391 16.052 -18.298 0.792 1.00 0.00 C ATOM 561 C VAL A 391 15.669 -18.775 -0.612 1.00 0.00 C ATOM 562 O VAL A 391 14.509 -18.659 -1.051 1.00 0.00 O ATOM 563 CB VAL A 391 15.738 -19.403 1.852 1.00 0.00 C ATOM 564 CG1 VAL A 391 14.276 -19.822 1.834 1.00 0.00 C ATOM 565 CG2 VAL A 391 16.650 -20.607 1.689 1.00 0.00 C ATOM 0 H VAL A 391 14.402 -17.059 1.121 1.00 0.00 H new ATOM 0 HA VAL A 391 17.127 -18.121 0.815 1.00 0.00 H new ATOM 0 HB VAL A 391 15.934 -18.961 2.829 1.00 0.00 H new ATOM 0 HG11 VAL A 391 14.109 -20.591 2.588 1.00 0.00 H new ATOM 0 HG12 VAL A 391 13.647 -18.958 2.051 1.00 0.00 H new ATOM 0 HG13 VAL A 391 14.023 -20.217 0.850 1.00 0.00 H new ATOM 0 HG21 VAL A 391 16.403 -21.355 2.442 1.00 0.00 H new ATOM 0 HG22 VAL A 391 16.514 -21.034 0.695 1.00 0.00 H new ATOM 0 HG23 VAL A 391 17.688 -20.297 1.812 1.00 0.00 H new ATOM 575 N LYS A 392 16.652 -19.235 -1.305 1.00 0.00 N ATOM 576 CA LYS A 392 16.541 -19.783 -2.614 1.00 0.00 C ATOM 577 C LYS A 392 16.766 -21.273 -2.513 1.00 0.00 C ATOM 578 O LYS A 392 17.798 -21.726 -2.002 1.00 0.00 O ATOM 579 CB LYS A 392 17.578 -19.089 -3.506 1.00 0.00 C ATOM 580 CG LYS A 392 17.779 -19.624 -4.911 1.00 0.00 C ATOM 581 CD LYS A 392 18.564 -18.589 -5.706 1.00 0.00 C ATOM 582 CE LYS A 392 19.020 -19.076 -7.067 1.00 0.00 C ATOM 583 NZ LYS A 392 20.123 -20.042 -6.959 1.00 0.00 N ATOM 0 H LYS A 392 17.610 -19.239 -0.954 1.00 0.00 H new ATOM 0 HA LYS A 392 15.558 -19.621 -3.055 1.00 0.00 H new ATOM 0 HB2 LYS A 392 17.301 -18.038 -3.585 1.00 0.00 H new ATOM 0 HB3 LYS A 392 18.539 -19.127 -2.993 1.00 0.00 H new ATOM 0 HG2 LYS A 392 18.318 -20.571 -4.884 1.00 0.00 H new ATOM 0 HG3 LYS A 392 16.817 -19.818 -5.385 1.00 0.00 H new ATOM 0 HD2 LYS A 392 17.946 -17.701 -5.837 1.00 0.00 H new ATOM 0 HD3 LYS A 392 19.437 -18.287 -5.128 1.00 0.00 H new ATOM 0 HE2 LYS A 392 18.181 -19.538 -7.587 1.00 0.00 H new ATOM 0 HE3 LYS A 392 19.339 -18.225 -7.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 392 20.679 -20.034 -7.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 392 20.735 -19.782 -6.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 392 19.736 -20.995 -6.803 1.00 0.00 H new ATOM 597 N ILE A 393 15.794 -22.017 -2.928 1.00 0.00 N ATOM 598 CA ILE A 393 15.836 -23.452 -2.863 1.00 0.00 C ATOM 599 C ILE A 393 16.637 -23.991 -4.030 1.00 0.00 C ATOM 600 O ILE A 393 16.286 -23.777 -5.169 1.00 0.00 O ATOM 601 CB ILE A 393 14.396 -24.083 -2.887 1.00 0.00 C ATOM 602 CG1 ILE A 393 13.583 -23.762 -1.615 1.00 0.00 C ATOM 603 CG2 ILE A 393 14.446 -25.583 -3.104 1.00 0.00 C ATOM 604 CD1 ILE A 393 13.073 -22.343 -1.497 1.00 0.00 C ATOM 0 H ILE A 393 14.933 -21.645 -3.329 1.00 0.00 H new ATOM 0 HA ILE A 393 16.308 -23.726 -1.920 1.00 0.00 H new ATOM 0 HB ILE A 393 13.884 -23.622 -3.732 1.00 0.00 H new ATOM 0 HG12 ILE A 393 12.730 -24.439 -1.572 1.00 0.00 H new ATOM 0 HG13 ILE A 393 14.205 -23.977 -0.746 1.00 0.00 H new ATOM 0 HG21 ILE A 393 13.432 -25.983 -3.115 1.00 0.00 H new ATOM 0 HG22 ILE A 393 14.930 -25.797 -4.057 1.00 0.00 H new ATOM 0 HG23 ILE A 393 15.011 -26.049 -2.297 1.00 0.00 H new ATOM 0 HD11 ILE A 393 12.517 -22.232 -0.566 1.00 0.00 H new ATOM 0 HD12 ILE A 393 13.916 -21.652 -1.500 1.00 0.00 H new ATOM 0 HD13 ILE A 393 12.418 -22.121 -2.339 1.00 0.00 H new ATOM 616 N GLU A 394 17.691 -24.673 -3.736 1.00 0.00 N ATOM 617 CA GLU A 394 18.533 -25.268 -4.739 1.00 0.00 C ATOM 618 C GLU A 394 18.194 -26.742 -4.879 1.00 0.00 C ATOM 619 O GLU A 394 17.818 -27.376 -3.892 1.00 0.00 O ATOM 620 CB GLU A 394 19.998 -25.083 -4.365 1.00 0.00 C ATOM 621 CG GLU A 394 20.476 -23.654 -4.500 1.00 0.00 C ATOM 622 CD GLU A 394 20.397 -23.175 -5.928 1.00 0.00 C ATOM 623 OE1 GLU A 394 21.306 -23.484 -6.718 1.00 0.00 O ATOM 624 OE2 GLU A 394 19.429 -22.489 -6.297 1.00 0.00 O ATOM 0 H GLU A 394 18.004 -24.840 -2.780 1.00 0.00 H new ATOM 0 HA GLU A 394 18.360 -24.778 -5.697 1.00 0.00 H new ATOM 0 HB2 GLU A 394 20.147 -25.413 -3.337 1.00 0.00 H new ATOM 0 HB3 GLU A 394 20.611 -25.725 -4.998 1.00 0.00 H new ATOM 0 HG2 GLU A 394 19.872 -23.006 -3.864 1.00 0.00 H new ATOM 0 HG3 GLU A 394 21.504 -23.579 -4.147 1.00 0.00 H new ATOM 631 N PRO A 395 18.291 -27.317 -6.096 1.00 0.00 N ATOM 632 CA PRO A 395 18.708 -26.602 -7.314 1.00 0.00 C ATOM 633 C PRO A 395 17.515 -25.983 -8.057 1.00 0.00 C ATOM 634 O PRO A 395 17.662 -25.459 -9.165 1.00 0.00 O ATOM 635 CB PRO A 395 19.318 -27.724 -8.149 1.00 0.00 C ATOM 636 CG PRO A 395 18.515 -28.936 -7.799 1.00 0.00 C ATOM 637 CD PRO A 395 18.029 -28.746 -6.377 1.00 0.00 C ATOM 0 HA PRO A 395 19.380 -25.769 -7.106 1.00 0.00 H new ATOM 0 HB2 PRO A 395 19.257 -27.503 -9.215 1.00 0.00 H new ATOM 0 HB3 PRO A 395 20.373 -27.866 -7.912 1.00 0.00 H new ATOM 0 HG2 PRO A 395 17.674 -29.052 -8.482 1.00 0.00 H new ATOM 0 HG3 PRO A 395 19.121 -29.838 -7.883 1.00 0.00 H new ATOM 0 HD2 PRO A 395 16.969 -28.983 -6.282 1.00 0.00 H new ATOM 0 HD3 PRO A 395 18.564 -29.394 -5.683 1.00 0.00 H new ATOM 645 N CYS A 396 16.357 -26.067 -7.425 1.00 0.00 N ATOM 646 CA CYS A 396 15.088 -25.568 -7.928 1.00 0.00 C ATOM 647 C CYS A 396 15.186 -24.133 -8.469 1.00 0.00 C ATOM 648 O CYS A 396 14.934 -23.884 -9.643 1.00 0.00 O ATOM 649 CB CYS A 396 14.080 -25.634 -6.786 1.00 0.00 C ATOM 650 SG CYS A 396 12.427 -24.969 -7.146 1.00 0.00 S ATOM 0 H CYS A 396 16.272 -26.504 -6.507 1.00 0.00 H new ATOM 0 HA CYS A 396 14.776 -26.187 -8.769 1.00 0.00 H new ATOM 0 HB2 CYS A 396 13.973 -26.675 -6.481 1.00 0.00 H new ATOM 0 HB3 CYS A 396 14.490 -25.093 -5.933 1.00 0.00 H new ATOM 0 HG CYS A 396 11.637 -25.202 -6.140 1.00 0.00 H new ATOM 655 N GLY A 397 15.560 -23.218 -7.615 1.00 0.00 N ATOM 656 CA GLY A 397 15.667 -21.842 -7.992 1.00 0.00 C ATOM 657 C GLY A 397 14.508 -21.013 -7.501 1.00 0.00 C ATOM 658 O GLY A 397 14.397 -19.846 -7.841 1.00 0.00 O ATOM 0 H GLY A 397 15.798 -23.409 -6.642 1.00 0.00 H new ATOM 0 HA2 GLY A 397 16.596 -21.432 -7.595 1.00 0.00 H new ATOM 0 HA3 GLY A 397 15.725 -21.770 -9.078 1.00 0.00 H new ATOM 662 N HIS A 398 13.637 -21.606 -6.703 1.00 0.00 N ATOM 663 CA HIS A 398 12.491 -20.864 -6.179 1.00 0.00 C ATOM 664 C HIS A 398 12.866 -20.054 -4.968 1.00 0.00 C ATOM 665 O HIS A 398 13.729 -20.459 -4.179 1.00 0.00 O ATOM 666 CB HIS A 398 11.260 -21.750 -5.940 1.00 0.00 C ATOM 667 CG HIS A 398 10.650 -22.253 -7.219 1.00 0.00 C ATOM 668 ND1 HIS A 398 9.663 -23.223 -7.296 1.00 0.00 N ATOM 669 CD2 HIS A 398 10.911 -21.891 -8.507 1.00 0.00 C ATOM 670 CE1 HIS A 398 9.383 -23.411 -8.601 1.00 0.00 C ATOM 671 NE2 HIS A 398 10.106 -22.631 -9.364 1.00 0.00 N ATOM 0 H HIS A 398 13.694 -22.580 -6.405 1.00 0.00 H new ATOM 0 HA HIS A 398 12.193 -20.160 -6.956 1.00 0.00 H new ATOM 0 HB2 HIS A 398 11.544 -22.600 -5.319 1.00 0.00 H new ATOM 0 HB3 HIS A 398 10.513 -21.184 -5.384 1.00 0.00 H new ATOM 0 HD1 HIS A 398 9.228 -23.706 -6.510 1.00 0.00 H new ATOM 0 HD2 HIS A 398 11.630 -21.146 -8.813 1.00 0.00 H new ATOM 0 HE1 HIS A 398 8.654 -24.117 -8.971 1.00 0.00 H new ATOM 679 N LEU A 399 12.220 -18.918 -4.832 1.00 0.00 N ATOM 680 CA LEU A 399 12.585 -17.917 -3.848 1.00 0.00 C ATOM 681 C LEU A 399 11.439 -17.711 -2.830 1.00 0.00 C ATOM 682 O LEU A 399 10.280 -17.544 -3.227 1.00 0.00 O ATOM 683 CB LEU A 399 12.833 -16.610 -4.619 1.00 0.00 C ATOM 684 CG LEU A 399 13.701 -16.718 -5.898 1.00 0.00 C ATOM 685 CD1 LEU A 399 13.746 -15.398 -6.634 1.00 0.00 C ATOM 686 CD2 LEU A 399 15.108 -17.186 -5.586 1.00 0.00 C ATOM 0 H LEU A 399 11.418 -18.658 -5.406 1.00 0.00 H new ATOM 0 HA LEU A 399 13.470 -18.229 -3.293 1.00 0.00 H new ATOM 0 HB2 LEU A 399 11.867 -16.189 -4.897 1.00 0.00 H new ATOM 0 HB3 LEU A 399 13.308 -15.899 -3.943 1.00 0.00 H new ATOM 0 HG LEU A 399 13.232 -17.464 -6.539 1.00 0.00 H new ATOM 0 HD11 LEU A 399 14.361 -15.501 -7.528 1.00 0.00 H new ATOM 0 HD12 LEU A 399 12.736 -15.107 -6.921 1.00 0.00 H new ATOM 0 HD13 LEU A 399 14.173 -14.634 -5.985 1.00 0.00 H new ATOM 0 HD21 LEU A 399 15.684 -17.248 -6.509 1.00 0.00 H new ATOM 0 HD22 LEU A 399 15.585 -16.478 -4.908 1.00 0.00 H new ATOM 0 HD23 LEU A 399 15.069 -18.169 -5.116 1.00 0.00 H new ATOM 698 N MET A 400 11.766 -17.720 -1.534 1.00 0.00 N ATOM 699 CA MET A 400 10.775 -17.528 -0.446 1.00 0.00 C ATOM 700 C MET A 400 11.521 -17.242 0.858 1.00 0.00 C ATOM 701 O MET A 400 12.727 -17.144 0.836 1.00 0.00 O ATOM 702 CB MET A 400 9.909 -18.781 -0.309 1.00 0.00 C ATOM 703 CG MET A 400 10.689 -20.033 0.055 1.00 0.00 C ATOM 704 SD MET A 400 9.726 -21.533 -0.167 1.00 0.00 S ATOM 705 CE MET A 400 9.468 -21.491 -1.947 1.00 0.00 C ATOM 0 H MET A 400 12.720 -17.859 -1.200 1.00 0.00 H new ATOM 0 HA MET A 400 10.123 -16.686 -0.677 1.00 0.00 H new ATOM 0 HB2 MET A 400 9.149 -18.604 0.452 1.00 0.00 H new ATOM 0 HB3 MET A 400 9.384 -18.952 -1.249 1.00 0.00 H new ATOM 0 HG2 MET A 400 11.588 -20.088 -0.559 1.00 0.00 H new ATOM 0 HG3 MET A 400 11.015 -19.965 1.093 1.00 0.00 H new ATOM 0 HE1 MET A 400 8.404 -21.385 -2.158 1.00 0.00 H new ATOM 0 HE2 MET A 400 10.008 -20.646 -2.373 1.00 0.00 H new ATOM 0 HE3 MET A 400 9.836 -22.417 -2.390 1.00 0.00 H new ATOM 715 N CYS A 401 10.833 -17.061 1.976 1.00 0.00 N ATOM 716 CA CYS A 401 11.556 -16.857 3.225 1.00 0.00 C ATOM 717 C CYS A 401 11.740 -18.176 3.963 1.00 0.00 C ATOM 718 O CYS A 401 10.853 -19.052 3.932 1.00 0.00 O ATOM 719 CB CYS A 401 10.925 -15.761 4.129 1.00 0.00 C ATOM 720 SG CYS A 401 9.177 -16.018 4.644 1.00 0.00 S ATOM 0 H CYS A 401 9.816 -17.051 2.047 1.00 0.00 H new ATOM 0 HA CYS A 401 12.543 -16.477 2.961 1.00 0.00 H new ATOM 0 HB2 CYS A 401 11.534 -15.669 5.028 1.00 0.00 H new ATOM 0 HB3 CYS A 401 10.988 -14.808 3.603 1.00 0.00 H new ATOM 0 HG CYS A 401 8.427 -16.139 3.589 1.00 0.00 H new ATOM 725 N THR A 402 12.888 -18.320 4.592 1.00 0.00 N ATOM 726 CA THR A 402 13.284 -19.510 5.309 1.00 0.00 C ATOM 727 C THR A 402 12.273 -19.892 6.405 1.00 0.00 C ATOM 728 O THR A 402 12.055 -21.074 6.671 1.00 0.00 O ATOM 729 CB THR A 402 14.660 -19.249 5.915 1.00 0.00 C ATOM 730 OG1 THR A 402 15.422 -18.543 4.929 1.00 0.00 O ATOM 731 CG2 THR A 402 15.368 -20.555 6.242 1.00 0.00 C ATOM 0 H THR A 402 13.594 -17.585 4.618 1.00 0.00 H new ATOM 0 HA THR A 402 13.317 -20.352 4.618 1.00 0.00 H new ATOM 0 HB THR A 402 14.558 -18.680 6.839 1.00 0.00 H new ATOM 0 HG1 THR A 402 16.317 -18.353 5.281 1.00 0.00 H new ATOM 0 HG21 THR A 402 16.346 -20.341 6.672 1.00 0.00 H new ATOM 0 HG22 THR A 402 14.773 -21.122 6.958 1.00 0.00 H new ATOM 0 HG23 THR A 402 15.493 -21.139 5.330 1.00 0.00 H new ATOM 739 N SER A 403 11.637 -18.898 6.985 1.00 0.00 N ATOM 740 CA SER A 403 10.647 -19.086 8.023 1.00 0.00 C ATOM 741 C SER A 403 9.471 -19.960 7.524 1.00 0.00 C ATOM 742 O SER A 403 8.977 -20.836 8.247 1.00 0.00 O ATOM 743 CB SER A 403 10.175 -17.713 8.458 1.00 0.00 C ATOM 744 OG SER A 403 11.312 -16.881 8.728 1.00 0.00 O ATOM 0 H SER A 403 11.796 -17.920 6.745 1.00 0.00 H new ATOM 0 HA SER A 403 11.082 -19.616 8.870 1.00 0.00 H new ATOM 0 HB2 SER A 403 9.559 -17.264 7.678 1.00 0.00 H new ATOM 0 HB3 SER A 403 9.552 -17.796 9.348 1.00 0.00 H new ATOM 0 HG SER A 403 11.008 -15.992 9.008 1.00 0.00 H new ATOM 750 N CYS A 404 9.059 -19.748 6.288 1.00 0.00 N ATOM 751 CA CYS A 404 7.993 -20.537 5.702 1.00 0.00 C ATOM 752 C CYS A 404 8.536 -21.920 5.317 1.00 0.00 C ATOM 753 O CYS A 404 7.926 -22.960 5.616 1.00 0.00 O ATOM 754 CB CYS A 404 7.475 -19.846 4.441 1.00 0.00 C ATOM 755 SG CYS A 404 7.036 -18.070 4.629 1.00 0.00 S ATOM 0 H CYS A 404 9.447 -19.035 5.670 1.00 0.00 H new ATOM 0 HA CYS A 404 7.185 -20.640 6.426 1.00 0.00 H new ATOM 0 HB2 CYS A 404 8.234 -19.934 3.663 1.00 0.00 H new ATOM 0 HB3 CYS A 404 6.594 -20.384 4.090 1.00 0.00 H new ATOM 0 HG CYS A 404 8.119 -17.351 4.611 1.00 0.00 H new ATOM 760 N LEU A 405 9.711 -21.906 4.686 1.00 0.00 N ATOM 761 CA LEU A 405 10.350 -23.109 4.163 1.00 0.00 C ATOM 762 C LEU A 405 10.637 -24.139 5.256 1.00 0.00 C ATOM 763 O LEU A 405 10.293 -25.308 5.107 1.00 0.00 O ATOM 764 CB LEU A 405 11.644 -22.751 3.427 1.00 0.00 C ATOM 765 CG LEU A 405 12.398 -23.924 2.783 1.00 0.00 C ATOM 766 CD1 LEU A 405 11.569 -24.571 1.680 1.00 0.00 C ATOM 767 CD2 LEU A 405 13.742 -23.469 2.254 1.00 0.00 C ATOM 0 H LEU A 405 10.247 -21.054 4.524 1.00 0.00 H new ATOM 0 HA LEU A 405 9.648 -23.563 3.464 1.00 0.00 H new ATOM 0 HB2 LEU A 405 11.407 -22.026 2.649 1.00 0.00 H new ATOM 0 HB3 LEU A 405 12.314 -22.256 4.130 1.00 0.00 H new ATOM 0 HG LEU A 405 12.571 -24.677 3.552 1.00 0.00 H new ATOM 0 HD11 LEU A 405 12.128 -25.398 1.242 1.00 0.00 H new ATOM 0 HD12 LEU A 405 10.635 -24.946 2.099 1.00 0.00 H new ATOM 0 HD13 LEU A 405 11.350 -23.833 0.909 1.00 0.00 H new ATOM 0 HD21 LEU A 405 14.260 -24.315 1.802 1.00 0.00 H new ATOM 0 HD22 LEU A 405 13.594 -22.691 1.505 1.00 0.00 H new ATOM 0 HD23 LEU A 405 14.341 -23.073 3.074 1.00 0.00 H new ATOM 779 N THR A 406 11.234 -23.695 6.356 1.00 0.00 N ATOM 780 CA THR A 406 11.609 -24.588 7.445 1.00 0.00 C ATOM 781 C THR A 406 10.375 -25.281 8.020 1.00 0.00 C ATOM 782 O THR A 406 10.398 -26.476 8.260 1.00 0.00 O ATOM 783 CB THR A 406 12.341 -23.830 8.573 1.00 0.00 C ATOM 784 OG1 THR A 406 13.360 -22.983 7.996 1.00 0.00 O ATOM 785 CG2 THR A 406 13.020 -24.806 9.525 1.00 0.00 C ATOM 0 H THR A 406 11.470 -22.716 6.517 1.00 0.00 H new ATOM 0 HA THR A 406 12.287 -25.334 7.032 1.00 0.00 H new ATOM 0 HB THR A 406 11.607 -23.238 9.120 1.00 0.00 H new ATOM 0 HG1 THR A 406 12.969 -22.116 7.759 1.00 0.00 H new ATOM 0 HG21 THR A 406 13.530 -24.251 10.312 1.00 0.00 H new ATOM 0 HG22 THR A 406 12.271 -25.461 9.970 1.00 0.00 H new ATOM 0 HG23 THR A 406 13.746 -25.405 8.975 1.00 0.00 H new ATOM 793 N SER A 407 9.280 -24.536 8.160 1.00 0.00 N ATOM 794 CA SER A 407 8.057 -25.092 8.707 1.00 0.00 C ATOM 795 C SER A 407 7.498 -26.156 7.759 1.00 0.00 C ATOM 796 O SER A 407 6.995 -27.199 8.192 1.00 0.00 O ATOM 797 CB SER A 407 7.036 -23.978 8.966 1.00 0.00 C ATOM 798 OG SER A 407 5.912 -24.462 9.674 1.00 0.00 O ATOM 0 H SER A 407 9.220 -23.551 7.902 1.00 0.00 H new ATOM 0 HA SER A 407 8.274 -25.571 9.662 1.00 0.00 H new ATOM 0 HB2 SER A 407 7.507 -23.175 9.533 1.00 0.00 H new ATOM 0 HB3 SER A 407 6.713 -23.550 8.017 1.00 0.00 H new ATOM 0 HG SER A 407 5.280 -23.728 9.825 1.00 0.00 H new ATOM 804 N TRP A 408 7.634 -25.905 6.472 1.00 0.00 N ATOM 805 CA TRP A 408 7.209 -26.842 5.475 1.00 0.00 C ATOM 806 C TRP A 408 8.080 -28.095 5.521 1.00 0.00 C ATOM 807 O TRP A 408 7.568 -29.204 5.516 1.00 0.00 O ATOM 808 CB TRP A 408 7.212 -26.185 4.090 1.00 0.00 C ATOM 809 CG TRP A 408 6.912 -27.119 2.959 1.00 0.00 C ATOM 810 CD1 TRP A 408 7.725 -27.388 1.911 1.00 0.00 C ATOM 811 CD2 TRP A 408 5.738 -27.929 2.773 1.00 0.00 C ATOM 812 NE1 TRP A 408 7.129 -28.283 1.070 1.00 0.00 N ATOM 813 CE2 TRP A 408 5.913 -28.637 1.572 1.00 0.00 C ATOM 814 CE3 TRP A 408 4.556 -28.114 3.495 1.00 0.00 C ATOM 815 CZ2 TRP A 408 4.960 -29.520 1.079 1.00 0.00 C ATOM 816 CZ3 TRP A 408 3.612 -28.991 3.006 1.00 0.00 C ATOM 817 CH2 TRP A 408 3.818 -29.681 1.809 1.00 0.00 C ATOM 0 H TRP A 408 8.041 -25.048 6.099 1.00 0.00 H new ATOM 0 HA TRP A 408 6.185 -27.151 5.684 1.00 0.00 H new ATOM 0 HB2 TRP A 408 6.479 -25.379 4.083 1.00 0.00 H new ATOM 0 HB3 TRP A 408 8.188 -25.730 3.920 1.00 0.00 H new ATOM 0 HD1 TRP A 408 8.704 -26.957 1.762 1.00 0.00 H new ATOM 0 HE1 TRP A 408 7.532 -28.633 0.200 1.00 0.00 H new ATOM 0 HE3 TRP A 408 4.386 -27.580 4.418 1.00 0.00 H new ATOM 0 HZ2 TRP A 408 5.117 -30.057 0.155 1.00 0.00 H new ATOM 0 HZ3 TRP A 408 2.697 -29.148 3.558 1.00 0.00 H new ATOM 0 HH2 TRP A 408 3.056 -30.358 1.453 1.00 0.00 H new ATOM 828 N GLN A 409 9.392 -27.908 5.627 1.00 0.00 N ATOM 829 CA GLN A 409 10.330 -29.028 5.713 1.00 0.00 C ATOM 830 C GLN A 409 10.102 -29.846 6.977 1.00 0.00 C ATOM 831 O GLN A 409 10.194 -31.075 6.955 1.00 0.00 O ATOM 832 CB GLN A 409 11.780 -28.565 5.611 1.00 0.00 C ATOM 833 CG GLN A 409 12.121 -27.920 4.278 1.00 0.00 C ATOM 834 CD GLN A 409 13.586 -27.575 4.161 1.00 0.00 C ATOM 835 OE1 GLN A 409 14.017 -26.481 4.523 1.00 0.00 O ATOM 836 NE2 GLN A 409 14.364 -28.498 3.657 1.00 0.00 N ATOM 0 H GLN A 409 9.833 -26.989 5.656 1.00 0.00 H new ATOM 0 HA GLN A 409 10.136 -29.674 4.857 1.00 0.00 H new ATOM 0 HB2 GLN A 409 11.982 -27.854 6.412 1.00 0.00 H new ATOM 0 HB3 GLN A 409 12.437 -29.420 5.770 1.00 0.00 H new ATOM 0 HG2 GLN A 409 11.845 -28.597 3.469 1.00 0.00 H new ATOM 0 HG3 GLN A 409 11.527 -27.015 4.153 1.00 0.00 H new ATOM 0 HE21 GLN A 409 13.971 -29.394 3.368 1.00 0.00 H new ATOM 0 HE22 GLN A 409 15.363 -28.322 3.554 1.00 0.00 H new ATOM 845 N GLU A 410 9.760 -29.164 8.057 1.00 0.00 N ATOM 846 CA GLU A 410 9.421 -29.789 9.336 1.00 0.00 C ATOM 847 C GLU A 410 8.115 -30.568 9.260 1.00 0.00 C ATOM 848 O GLU A 410 7.839 -31.431 10.091 1.00 0.00 O ATOM 849 CB GLU A 410 9.322 -28.737 10.420 1.00 0.00 C ATOM 850 CG GLU A 410 10.642 -28.238 10.925 1.00 0.00 C ATOM 851 CD GLU A 410 10.460 -27.147 11.927 1.00 0.00 C ATOM 852 OE1 GLU A 410 9.530 -27.242 12.755 1.00 0.00 O ATOM 853 OE2 GLU A 410 11.203 -26.150 11.887 1.00 0.00 O ATOM 0 H GLU A 410 9.708 -28.146 8.076 1.00 0.00 H new ATOM 0 HA GLU A 410 10.218 -30.493 9.576 1.00 0.00 H new ATOM 0 HB2 GLU A 410 8.751 -27.891 10.037 1.00 0.00 H new ATOM 0 HB3 GLU A 410 8.759 -29.149 11.258 1.00 0.00 H new ATOM 0 HG2 GLU A 410 11.196 -29.061 11.376 1.00 0.00 H new ATOM 0 HG3 GLU A 410 11.239 -27.872 10.090 1.00 0.00 H new ATOM 860 N SER A 411 7.332 -30.265 8.272 1.00 0.00 N ATOM 861 CA SER A 411 6.074 -30.921 8.027 1.00 0.00 C ATOM 862 C SER A 411 6.249 -31.889 6.843 1.00 0.00 C ATOM 863 O SER A 411 5.265 -32.353 6.248 1.00 0.00 O ATOM 864 CB SER A 411 5.004 -29.851 7.716 1.00 0.00 C ATOM 865 OG SER A 411 3.709 -30.424 7.542 1.00 0.00 O ATOM 0 H SER A 411 7.551 -29.536 7.593 1.00 0.00 H new ATOM 0 HA SER A 411 5.752 -31.488 8.901 1.00 0.00 H new ATOM 0 HB2 SER A 411 4.972 -29.124 8.527 1.00 0.00 H new ATOM 0 HB3 SER A 411 5.285 -29.309 6.813 1.00 0.00 H new ATOM 0 HG SER A 411 3.782 -31.241 7.006 1.00 0.00 H new ATOM 871 N GLU A 412 7.516 -32.185 6.543 1.00 0.00 N ATOM 872 CA GLU A 412 7.953 -32.969 5.394 1.00 0.00 C ATOM 873 C GLU A 412 7.838 -32.151 4.142 1.00 0.00 C ATOM 874 O GLU A 412 6.788 -32.131 3.469 1.00 0.00 O ATOM 875 CB GLU A 412 7.277 -34.346 5.238 1.00 0.00 C ATOM 876 CG GLU A 412 7.610 -35.351 6.323 1.00 0.00 C ATOM 877 CD GLU A 412 7.101 -36.720 5.972 1.00 0.00 C ATOM 878 OE1 GLU A 412 7.769 -37.422 5.188 1.00 0.00 O ATOM 879 OE2 GLU A 412 6.012 -37.116 6.441 1.00 0.00 O ATOM 0 H GLU A 412 8.295 -31.870 7.121 1.00 0.00 H new ATOM 0 HA GLU A 412 8.998 -33.213 5.584 1.00 0.00 H new ATOM 0 HB2 GLU A 412 6.197 -34.203 5.216 1.00 0.00 H new ATOM 0 HB3 GLU A 412 7.563 -34.767 4.274 1.00 0.00 H new ATOM 0 HG2 GLU A 412 8.690 -35.388 6.469 1.00 0.00 H new ATOM 0 HG3 GLU A 412 7.172 -35.029 7.268 1.00 0.00 H new ATOM 886 N GLY A 413 8.906 -31.448 3.853 1.00 0.00 N ATOM 887 CA GLY A 413 8.954 -30.571 2.724 1.00 0.00 C ATOM 888 C GLY A 413 9.188 -31.316 1.461 1.00 0.00 C ATOM 889 O GLY A 413 10.319 -31.416 0.994 1.00 0.00 O ATOM 0 H GLY A 413 9.766 -31.473 4.401 1.00 0.00 H new ATOM 0 HA2 GLY A 413 8.017 -30.018 2.652 1.00 0.00 H new ATOM 0 HA3 GLY A 413 9.747 -29.837 2.866 1.00 0.00 H new ATOM 893 N GLN A 414 8.133 -31.864 0.926 1.00 0.00 N ATOM 894 CA GLN A 414 8.193 -32.612 -0.301 1.00 0.00 C ATOM 895 C GLN A 414 8.247 -31.655 -1.478 1.00 0.00 C ATOM 896 O GLN A 414 7.245 -31.424 -2.165 1.00 0.00 O ATOM 897 CB GLN A 414 6.989 -33.539 -0.419 1.00 0.00 C ATOM 898 CG GLN A 414 6.851 -34.517 0.728 1.00 0.00 C ATOM 899 CD GLN A 414 5.628 -35.384 0.592 1.00 0.00 C ATOM 900 OE1 GLN A 414 4.548 -35.033 1.076 1.00 0.00 O ATOM 901 NE2 GLN A 414 5.774 -36.509 -0.063 1.00 0.00 N ATOM 0 H GLN A 414 7.199 -31.804 1.332 1.00 0.00 H new ATOM 0 HA GLN A 414 9.094 -33.226 -0.301 1.00 0.00 H new ATOM 0 HB2 GLN A 414 6.083 -32.936 -0.480 1.00 0.00 H new ATOM 0 HB3 GLN A 414 7.063 -34.097 -1.352 1.00 0.00 H new ATOM 0 HG2 GLN A 414 7.738 -35.148 0.774 1.00 0.00 H new ATOM 0 HG3 GLN A 414 6.802 -33.967 1.668 1.00 0.00 H new ATOM 0 HE21 GLN A 414 6.685 -36.761 -0.447 1.00 0.00 H new ATOM 0 HE22 GLN A 414 4.977 -37.133 -0.189 1.00 0.00 H new ATOM 910 N GLY A 415 9.397 -31.064 -1.661 1.00 0.00 N ATOM 911 CA GLY A 415 9.585 -30.076 -2.682 1.00 0.00 C ATOM 912 C GLY A 415 9.191 -28.713 -2.163 1.00 0.00 C ATOM 913 O GLY A 415 8.761 -28.617 -1.019 1.00 0.00 O ATOM 0 H GLY A 415 10.230 -31.256 -1.104 1.00 0.00 H new ATOM 0 HA2 GLY A 415 10.627 -30.065 -3.001 1.00 0.00 H new ATOM 0 HA3 GLY A 415 8.986 -30.328 -3.557 1.00 0.00 H new ATOM 917 N CYS A 416 9.371 -27.656 -2.962 1.00 0.00 N ATOM 918 CA CYS A 416 8.971 -26.304 -2.558 1.00 0.00 C ATOM 919 C CYS A 416 7.476 -26.310 -2.148 1.00 0.00 C ATOM 920 O CYS A 416 6.682 -27.017 -2.743 1.00 0.00 O ATOM 921 CB CYS A 416 9.115 -25.331 -3.728 1.00 0.00 C ATOM 922 SG CYS A 416 10.596 -25.514 -4.795 1.00 0.00 S ATOM 0 H CYS A 416 9.790 -27.710 -3.890 1.00 0.00 H new ATOM 0 HA CYS A 416 9.609 -25.995 -1.729 1.00 0.00 H new ATOM 0 HB2 CYS A 416 8.231 -25.428 -4.358 1.00 0.00 H new ATOM 0 HB3 CYS A 416 9.111 -24.318 -3.327 1.00 0.00 H new ATOM 0 HG CYS A 416 10.242 -25.994 -5.950 1.00 0.00 H new ATOM 927 N PRO A 417 7.081 -25.506 -1.167 1.00 0.00 N ATOM 928 CA PRO A 417 5.685 -25.465 -0.677 1.00 0.00 C ATOM 929 C PRO A 417 4.631 -25.094 -1.757 1.00 0.00 C ATOM 930 O PRO A 417 3.437 -25.311 -1.560 1.00 0.00 O ATOM 931 CB PRO A 417 5.712 -24.410 0.437 1.00 0.00 C ATOM 932 CG PRO A 417 7.000 -23.676 0.263 1.00 0.00 C ATOM 933 CD PRO A 417 7.956 -24.612 -0.411 1.00 0.00 C ATOM 0 HA PRO A 417 5.373 -26.456 -0.346 1.00 0.00 H new ATOM 0 HB2 PRO A 417 4.861 -23.733 0.357 1.00 0.00 H new ATOM 0 HB3 PRO A 417 5.656 -24.877 1.420 1.00 0.00 H new ATOM 0 HG2 PRO A 417 6.853 -22.778 -0.337 1.00 0.00 H new ATOM 0 HG3 PRO A 417 7.393 -23.354 1.227 1.00 0.00 H new ATOM 0 HD2 PRO A 417 8.647 -24.079 -1.064 1.00 0.00 H new ATOM 0 HD3 PRO A 417 8.560 -25.159 0.313 1.00 0.00 H new ATOM 941 N PHE A 418 5.070 -24.556 -2.878 1.00 0.00 N ATOM 942 CA PHE A 418 4.155 -24.191 -3.959 1.00 0.00 C ATOM 943 C PHE A 418 4.037 -25.338 -4.968 1.00 0.00 C ATOM 944 O PHE A 418 3.057 -26.081 -5.011 1.00 0.00 O ATOM 945 CB PHE A 418 4.679 -22.959 -4.740 1.00 0.00 C ATOM 946 CG PHE A 418 4.813 -21.664 -3.995 1.00 0.00 C ATOM 947 CD1 PHE A 418 5.886 -21.433 -3.154 1.00 0.00 C ATOM 948 CD2 PHE A 418 3.884 -20.657 -4.178 1.00 0.00 C ATOM 949 CE1 PHE A 418 6.018 -20.229 -2.512 1.00 0.00 C ATOM 950 CE2 PHE A 418 4.017 -19.445 -3.538 1.00 0.00 C ATOM 951 CZ PHE A 418 5.086 -19.233 -2.705 1.00 0.00 C ATOM 0 H PHE A 418 6.052 -24.359 -3.071 1.00 0.00 H new ATOM 0 HA PHE A 418 3.192 -23.970 -3.499 1.00 0.00 H new ATOM 0 HB2 PHE A 418 5.657 -23.213 -5.149 1.00 0.00 H new ATOM 0 HB3 PHE A 418 4.013 -22.791 -5.587 1.00 0.00 H new ATOM 0 HD1 PHE A 418 6.625 -22.206 -3.002 1.00 0.00 H new ATOM 0 HD2 PHE A 418 3.041 -20.823 -4.833 1.00 0.00 H new ATOM 0 HE1 PHE A 418 6.856 -20.061 -1.852 1.00 0.00 H new ATOM 0 HE2 PHE A 418 3.284 -18.666 -3.691 1.00 0.00 H new ATOM 0 HZ PHE A 418 5.197 -18.285 -2.200 1.00 0.00 H new ATOM 961 N CYS A 419 5.104 -25.482 -5.700 1.00 0.00 N ATOM 962 CA CYS A 419 5.261 -26.320 -6.860 1.00 0.00 C ATOM 963 C CYS A 419 5.654 -27.741 -6.509 1.00 0.00 C ATOM 964 O CYS A 419 5.481 -28.669 -7.317 1.00 0.00 O ATOM 965 CB CYS A 419 6.380 -25.649 -7.587 1.00 0.00 C ATOM 966 SG CYS A 419 7.489 -24.814 -6.373 1.00 0.00 S ATOM 0 H CYS A 419 5.961 -24.973 -5.484 1.00 0.00 H new ATOM 0 HA CYS A 419 4.335 -26.416 -7.427 1.00 0.00 H new ATOM 0 HB2 CYS A 419 6.943 -26.381 -8.166 1.00 0.00 H new ATOM 0 HB3 CYS A 419 5.983 -24.921 -8.294 1.00 0.00 H new ATOM 0 HG CYS A 419 8.665 -25.366 -6.408 1.00 0.00 H new ATOM 971 N ARG A 420 6.203 -27.893 -5.319 1.00 0.00 N ATOM 972 CA ARG A 420 6.665 -29.164 -4.790 1.00 0.00 C ATOM 973 C ARG A 420 7.812 -29.767 -5.619 1.00 0.00 C ATOM 974 O ARG A 420 7.989 -30.987 -5.676 1.00 0.00 O ATOM 975 CB ARG A 420 5.495 -30.124 -4.574 1.00 0.00 C ATOM 976 CG ARG A 420 4.565 -29.692 -3.448 1.00 0.00 C ATOM 977 CD ARG A 420 3.351 -30.593 -3.342 1.00 0.00 C ATOM 978 NE ARG A 420 2.434 -30.432 -4.481 1.00 0.00 N ATOM 979 CZ ARG A 420 1.392 -31.230 -4.749 1.00 0.00 C ATOM 980 NH1 ARG A 420 1.186 -32.332 -4.034 1.00 0.00 N ATOM 981 NH2 ARG A 420 0.573 -30.924 -5.741 1.00 0.00 N ATOM 0 H ARG A 420 6.344 -27.115 -4.675 1.00 0.00 H new ATOM 0 HA ARG A 420 7.100 -28.978 -3.808 1.00 0.00 H new ATOM 0 HB2 ARG A 420 4.923 -30.204 -5.499 1.00 0.00 H new ATOM 0 HB3 ARG A 420 5.885 -31.118 -4.354 1.00 0.00 H new ATOM 0 HG2 ARG A 420 5.109 -29.703 -2.503 1.00 0.00 H new ATOM 0 HG3 ARG A 420 4.241 -28.665 -3.618 1.00 0.00 H new ATOM 0 HD2 ARG A 420 3.676 -31.632 -3.285 1.00 0.00 H new ATOM 0 HD3 ARG A 420 2.819 -30.374 -2.416 1.00 0.00 H new ATOM 0 HE ARG A 420 2.605 -29.652 -5.116 1.00 0.00 H new ATOM 0 HH11 ARG A 420 1.824 -32.574 -3.276 1.00 0.00 H new ATOM 0 HH12 ARG A 420 0.390 -32.935 -4.244 1.00 0.00 H new ATOM 0 HH21 ARG A 420 0.737 -30.085 -6.297 1.00 0.00 H new ATOM 0 HH22 ARG A 420 -0.222 -31.527 -5.950 1.00 0.00 H new ATOM 995 N CYS A 421 8.615 -28.898 -6.204 1.00 0.00 N ATOM 996 CA CYS A 421 9.773 -29.312 -6.967 1.00 0.00 C ATOM 997 C CYS A 421 11.028 -29.399 -6.068 1.00 0.00 C ATOM 998 O CYS A 421 11.044 -28.836 -4.976 1.00 0.00 O ATOM 999 CB CYS A 421 9.974 -28.346 -8.120 1.00 0.00 C ATOM 1000 SG CYS A 421 9.916 -26.596 -7.605 1.00 0.00 S ATOM 0 H CYS A 421 8.482 -27.888 -6.163 1.00 0.00 H new ATOM 0 HA CYS A 421 9.607 -30.311 -7.369 1.00 0.00 H new ATOM 0 HB2 CYS A 421 10.935 -28.548 -8.592 1.00 0.00 H new ATOM 0 HB3 CYS A 421 9.206 -28.523 -8.873 1.00 0.00 H new ATOM 0 HG CYS A 421 11.127 -26.140 -7.479 1.00 0.00 H new ATOM 1005 N GLU A 422 12.059 -30.026 -6.604 1.00 0.00 N ATOM 1006 CA GLU A 422 13.316 -30.417 -5.934 1.00 0.00 C ATOM 1007 C GLU A 422 13.911 -29.437 -4.903 1.00 0.00 C ATOM 1008 O GLU A 422 14.335 -28.328 -5.243 1.00 0.00 O ATOM 1009 CB GLU A 422 14.416 -30.751 -6.967 1.00 0.00 C ATOM 1010 CG GLU A 422 14.062 -31.833 -7.985 1.00 0.00 C ATOM 1011 CD GLU A 422 13.330 -31.309 -9.202 1.00 0.00 C ATOM 1012 OE1 GLU A 422 12.158 -30.897 -9.094 1.00 0.00 O ATOM 1013 OE2 GLU A 422 13.910 -31.334 -10.306 1.00 0.00 O ATOM 0 H GLU A 422 12.054 -30.301 -7.586 1.00 0.00 H new ATOM 0 HA GLU A 422 13.002 -31.287 -5.357 1.00 0.00 H new ATOM 0 HB2 GLU A 422 14.670 -29.839 -7.507 1.00 0.00 H new ATOM 0 HB3 GLU A 422 15.311 -31.063 -6.429 1.00 0.00 H new ATOM 0 HG2 GLU A 422 14.978 -32.328 -8.308 1.00 0.00 H new ATOM 0 HG3 GLU A 422 13.445 -32.589 -7.499 1.00 0.00 H new ATOM 1020 N ILE A 423 13.952 -29.885 -3.661 1.00 0.00 N ATOM 1021 CA ILE A 423 14.693 -29.229 -2.601 1.00 0.00 C ATOM 1022 C ILE A 423 15.907 -30.099 -2.332 1.00 0.00 C ATOM 1023 O ILE A 423 15.766 -31.307 -2.124 1.00 0.00 O ATOM 1024 CB ILE A 423 13.900 -29.101 -1.252 1.00 0.00 C ATOM 1025 CG1 ILE A 423 12.647 -28.233 -1.406 1.00 0.00 C ATOM 1026 CG2 ILE A 423 14.803 -28.534 -0.142 1.00 0.00 C ATOM 1027 CD1 ILE A 423 11.862 -28.059 -0.113 1.00 0.00 C ATOM 0 H ILE A 423 13.464 -30.727 -3.357 1.00 0.00 H new ATOM 0 HA ILE A 423 14.925 -28.216 -2.929 1.00 0.00 H new ATOM 0 HB ILE A 423 13.578 -30.104 -0.972 1.00 0.00 H new ATOM 0 HG12 ILE A 423 12.939 -27.251 -1.779 1.00 0.00 H new ATOM 0 HG13 ILE A 423 11.997 -28.679 -2.159 1.00 0.00 H new ATOM 0 HG21 ILE A 423 14.234 -28.453 0.784 1.00 0.00 H new ATOM 0 HG22 ILE A 423 15.653 -29.199 0.011 1.00 0.00 H new ATOM 0 HG23 ILE A 423 15.163 -27.547 -0.434 1.00 0.00 H new ATOM 0 HD11 ILE A 423 10.989 -27.433 -0.299 1.00 0.00 H new ATOM 0 HD12 ILE A 423 11.539 -29.034 0.250 1.00 0.00 H new ATOM 0 HD13 ILE A 423 12.496 -27.584 0.636 1.00 0.00 H new ATOM 1039 N LYS A 424 17.073 -29.531 -2.410 1.00 0.00 N ATOM 1040 CA LYS A 424 18.276 -30.263 -2.102 1.00 0.00 C ATOM 1041 C LYS A 424 19.183 -29.410 -1.222 1.00 0.00 C ATOM 1042 O LYS A 424 19.805 -29.904 -0.290 1.00 0.00 O ATOM 1043 CB LYS A 424 19.014 -30.667 -3.384 1.00 0.00 C ATOM 1044 CG LYS A 424 20.164 -31.637 -3.156 1.00 0.00 C ATOM 1045 CD LYS A 424 19.658 -32.986 -2.661 1.00 0.00 C ATOM 1046 CE LYS A 424 20.798 -33.950 -2.399 1.00 0.00 C ATOM 1047 NZ LYS A 424 21.696 -33.475 -1.324 1.00 0.00 N ATOM 0 H LYS A 424 17.222 -28.560 -2.685 1.00 0.00 H new ATOM 0 HA LYS A 424 18.003 -31.173 -1.567 1.00 0.00 H new ATOM 0 HB2 LYS A 424 18.302 -31.120 -4.074 1.00 0.00 H new ATOM 0 HB3 LYS A 424 19.400 -29.769 -3.867 1.00 0.00 H new ATOM 0 HG2 LYS A 424 20.718 -31.772 -4.085 1.00 0.00 H new ATOM 0 HG3 LYS A 424 20.858 -31.217 -2.428 1.00 0.00 H new ATOM 0 HD2 LYS A 424 19.083 -32.845 -1.746 1.00 0.00 H new ATOM 0 HD3 LYS A 424 18.981 -33.415 -3.400 1.00 0.00 H new ATOM 0 HE2 LYS A 424 20.392 -34.924 -2.127 1.00 0.00 H new ATOM 0 HE3 LYS A 424 21.372 -34.088 -3.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 22.334 -34.245 -1.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 22.257 -32.671 -1.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 21.129 -33.174 -0.506 1.00 0.00 H new ATOM 1061 N GLY A 425 19.247 -28.136 -1.523 1.00 0.00 N ATOM 1062 CA GLY A 425 20.066 -27.231 -0.763 1.00 0.00 C ATOM 1063 C GLY A 425 19.406 -25.886 -0.652 1.00 0.00 C ATOM 1064 O GLY A 425 18.336 -25.668 -1.232 1.00 0.00 O ATOM 0 H GLY A 425 18.738 -27.703 -2.294 1.00 0.00 H new ATOM 0 HA2 GLY A 425 20.241 -27.639 0.232 1.00 0.00 H new ATOM 0 HA3 GLY A 425 21.040 -27.126 -1.240 1.00 0.00 H new ATOM 1068 N THR A 426 20.026 -24.976 0.056 1.00 0.00 N ATOM 1069 CA THR A 426 19.474 -23.661 0.256 1.00 0.00 C ATOM 1070 C THR A 426 20.543 -22.586 0.042 1.00 0.00 C ATOM 1071 O THR A 426 21.683 -22.720 0.497 1.00 0.00 O ATOM 1072 CB THR A 426 18.821 -23.521 1.668 1.00 0.00 C ATOM 1073 OG1 THR A 426 19.711 -24.004 2.697 1.00 0.00 O ATOM 1074 CG2 THR A 426 17.495 -24.269 1.749 1.00 0.00 C ATOM 0 H THR A 426 20.927 -25.126 0.510 1.00 0.00 H new ATOM 0 HA THR A 426 18.688 -23.517 -0.485 1.00 0.00 H new ATOM 0 HB THR A 426 18.630 -22.460 1.828 1.00 0.00 H new ATOM 0 HG1 THR A 426 19.283 -23.905 3.573 1.00 0.00 H new ATOM 0 HG21 THR A 426 17.070 -24.149 2.746 1.00 0.00 H new ATOM 0 HG22 THR A 426 16.804 -23.866 1.009 1.00 0.00 H new ATOM 0 HG23 THR A 426 17.662 -25.328 1.551 1.00 0.00 H new ATOM 1082 N GLU A 427 20.187 -21.558 -0.659 1.00 0.00 N ATOM 1083 CA GLU A 427 21.079 -20.469 -0.952 1.00 0.00 C ATOM 1084 C GLU A 427 20.414 -19.159 -0.506 1.00 0.00 C ATOM 1085 O GLU A 427 19.250 -18.959 -0.769 1.00 0.00 O ATOM 1086 CB GLU A 427 21.354 -20.475 -2.459 1.00 0.00 C ATOM 1087 CG GLU A 427 22.312 -19.421 -2.959 1.00 0.00 C ATOM 1088 CD GLU A 427 22.543 -19.545 -4.440 1.00 0.00 C ATOM 1089 OE1 GLU A 427 23.445 -20.291 -4.854 1.00 0.00 O ATOM 1090 OE2 GLU A 427 21.815 -18.912 -5.224 1.00 0.00 O ATOM 0 H GLU A 427 19.253 -21.444 -1.053 1.00 0.00 H new ATOM 0 HA GLU A 427 22.026 -20.569 -0.422 1.00 0.00 H new ATOM 0 HB2 GLU A 427 21.746 -21.454 -2.733 1.00 0.00 H new ATOM 0 HB3 GLU A 427 20.406 -20.354 -2.982 1.00 0.00 H new ATOM 0 HG2 GLU A 427 21.916 -18.431 -2.733 1.00 0.00 H new ATOM 0 HG3 GLU A 427 23.262 -19.512 -2.433 1.00 0.00 H new ATOM 1097 N PRO A 428 21.116 -18.302 0.236 1.00 0.00 N ATOM 1098 CA PRO A 428 20.567 -17.012 0.669 1.00 0.00 C ATOM 1099 C PRO A 428 20.453 -16.020 -0.496 1.00 0.00 C ATOM 1100 O PRO A 428 21.356 -15.924 -1.342 1.00 0.00 O ATOM 1101 CB PRO A 428 21.584 -16.517 1.703 1.00 0.00 C ATOM 1102 CG PRO A 428 22.860 -17.187 1.325 1.00 0.00 C ATOM 1103 CD PRO A 428 22.478 -18.520 0.739 1.00 0.00 C ATOM 0 HA PRO A 428 19.557 -17.107 1.067 1.00 0.00 H new ATOM 0 HB2 PRO A 428 21.682 -15.432 1.674 1.00 0.00 H new ATOM 0 HB3 PRO A 428 21.281 -16.783 2.716 1.00 0.00 H new ATOM 0 HG2 PRO A 428 23.414 -16.589 0.602 1.00 0.00 H new ATOM 0 HG3 PRO A 428 23.505 -17.315 2.194 1.00 0.00 H new ATOM 0 HD2 PRO A 428 23.158 -18.815 -0.060 1.00 0.00 H new ATOM 0 HD3 PRO A 428 22.506 -19.310 1.489 1.00 0.00 H new