USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 735 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 431 CYS SG : rot -121:sc= -1.4 USER MOD Set 1.2: A 507 LYS NZ :NH3+ -165:sc= -0.0068 (180deg=-0.199) USER MOD Set 1.3: A 510 MET CE :methyl 159:sc= -1.03 (180deg=-1.65!) USER MOD Single : A 433 TYR OH : rot 34:sc= -0.0341 USER MOD Single : A 435 LYS NZ :NH3+ -130:sc= 0 (180deg=-0.374) USER MOD Single : A 443 ASN : amide:sc= 0.661 K(o=0.66,f=-3.4!) USER MOD Single : A 444 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 445 HIS : no HD1:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 451 LYS NZ :NH3+ 160:sc= -0.084 (180deg=-0.444) USER MOD Single : A 452 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 459 SER OG : rot -55:sc= 0.767 USER MOD Single : A 461 TYR OH : rot 180:sc= 0 USER MOD Single : A 464 TYR OH : rot 180:sc=-0.00903 USER MOD Single : A 467 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 469 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.101) USER MOD Single : A 471 THR OG1 : rot -67:sc= 0.00473 USER MOD Single : A 480 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 484 TYR OH : rot 180:sc= 0 USER MOD Single : A 485 LYS NZ :NH3+ -169:sc= -0.57 (180deg=-0.95) USER MOD Single : A 489 CYS SG : rot 180:sc= 0 USER MOD Single : A 491 HIS : no HD1:sc= -1.66 K(o=-1.7,f=-5.7!) USER MOD Single : A 492 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 493 GLN : amide:sc= -0.918 X(o=-0.92,f=-0.46) USER MOD Single : A 494 TYR OH : rot 180:sc= 0 USER MOD Single : A 495 MET CE :methyl 156:sc= -2.78! (180deg=-4.21!) USER MOD Single : A 497 ASN : amide:sc= -0.14 K(o=-0.14,f=-0.88) USER MOD Single : A 501 GLN : amide:sc= -0.166 K(o=-0.17,f=-1.9!) USER MOD Single : A 503 HIS : no HD1:sc=-0.00336 X(o=-0.0034,f=-0.016) USER MOD Single : A 506 THR OG1 : rot 180:sc= 0.00715 USER MOD Single : A 508 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0271) USER MOD Single : A 513 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 516 MET CE :methyl 177:sc= -0.248 (180deg=-0.252) USER MOD ----------------------------------------------------------------- ATOM 332 N GLY A 429 -4.021 -14.486 -1.047 1.00 0.00 N ATOM 333 CA GLY A 429 -3.907 -13.823 0.239 1.00 0.00 C ATOM 334 C GLY A 429 -4.634 -12.493 0.272 1.00 0.00 C ATOM 335 O GLY A 429 -5.191 -12.056 -0.736 1.00 0.00 O ATOM 0 HA2 GLY A 429 -4.309 -14.473 1.016 1.00 0.00 H new ATOM 0 HA3 GLY A 429 -2.854 -13.664 0.470 1.00 0.00 H new ATOM 339 N PHE A 430 -4.630 -11.847 1.433 1.00 0.00 N ATOM 340 CA PHE A 430 -5.295 -10.559 1.594 1.00 0.00 C ATOM 341 C PHE A 430 -4.279 -9.448 1.837 1.00 0.00 C ATOM 342 O PHE A 430 -3.634 -9.401 2.885 1.00 0.00 O ATOM 343 CB PHE A 430 -6.291 -10.618 2.754 1.00 0.00 C ATOM 344 CG PHE A 430 -7.131 -11.863 2.761 1.00 0.00 C ATOM 345 CD1 PHE A 430 -8.046 -12.104 1.749 1.00 0.00 C ATOM 346 CD2 PHE A 430 -7.004 -12.794 3.780 1.00 0.00 C ATOM 347 CE1 PHE A 430 -8.820 -13.249 1.754 1.00 0.00 C ATOM 348 CE2 PHE A 430 -7.775 -13.941 3.790 1.00 0.00 C ATOM 349 CZ PHE A 430 -8.683 -14.169 2.775 1.00 0.00 C ATOM 0 H PHE A 430 -4.174 -12.194 2.277 1.00 0.00 H new ATOM 0 HA PHE A 430 -5.833 -10.338 0.672 1.00 0.00 H new ATOM 0 HB2 PHE A 430 -5.745 -10.553 3.695 1.00 0.00 H new ATOM 0 HB3 PHE A 430 -6.946 -9.748 2.705 1.00 0.00 H new ATOM 0 HD1 PHE A 430 -8.156 -11.389 0.947 1.00 0.00 H new ATOM 0 HD2 PHE A 430 -6.294 -12.621 4.575 1.00 0.00 H new ATOM 0 HE1 PHE A 430 -9.531 -13.424 0.960 1.00 0.00 H new ATOM 0 HE2 PHE A 430 -7.667 -14.658 4.591 1.00 0.00 H new ATOM 0 HZ PHE A 430 -9.285 -15.065 2.779 1.00 0.00 H new ATOM 359 N CYS A 431 -4.141 -8.556 0.862 1.00 0.00 N ATOM 360 CA CYS A 431 -3.202 -7.445 0.968 1.00 0.00 C ATOM 361 C CYS A 431 -3.893 -6.119 0.668 1.00 0.00 C ATOM 362 O CYS A 431 -5.038 -6.091 0.217 1.00 0.00 O ATOM 363 CB CYS A 431 -2.027 -7.650 0.011 1.00 0.00 C ATOM 364 SG CYS A 431 -0.942 -9.025 0.458 1.00 0.00 S ATOM 0 H CYS A 431 -4.668 -8.581 -0.011 1.00 0.00 H new ATOM 0 HA CYS A 431 -2.827 -7.415 1.991 1.00 0.00 H new ATOM 0 HB2 CYS A 431 -2.416 -7.820 -0.993 1.00 0.00 H new ATOM 0 HB3 CYS A 431 -1.438 -6.734 -0.026 1.00 0.00 H new ATOM 0 HG CYS A 431 0.265 -8.581 0.649 1.00 0.00 H new ATOM 370 N VAL A 432 -3.190 -5.020 0.924 1.00 0.00 N ATOM 371 CA VAL A 432 -3.735 -3.690 0.682 1.00 0.00 C ATOM 372 C VAL A 432 -2.683 -2.765 0.082 1.00 0.00 C ATOM 373 O VAL A 432 -1.549 -2.705 0.559 1.00 0.00 O ATOM 374 CB VAL A 432 -4.276 -3.060 1.980 1.00 0.00 C ATOM 375 CG1 VAL A 432 -5.652 -3.616 2.310 1.00 0.00 C ATOM 376 CG2 VAL A 432 -3.307 -3.295 3.129 1.00 0.00 C ATOM 0 H VAL A 432 -2.241 -5.025 1.299 1.00 0.00 H new ATOM 0 HA VAL A 432 -4.556 -3.809 -0.025 1.00 0.00 H new ATOM 0 HB VAL A 432 -4.372 -1.985 1.830 1.00 0.00 H new ATOM 0 HG11 VAL A 432 -6.018 -3.160 3.230 1.00 0.00 H new ATOM 0 HG12 VAL A 432 -6.340 -3.392 1.495 1.00 0.00 H new ATOM 0 HG13 VAL A 432 -5.586 -4.696 2.442 1.00 0.00 H new ATOM 0 HG21 VAL A 432 -3.704 -2.844 4.038 1.00 0.00 H new ATOM 0 HG22 VAL A 432 -3.178 -4.366 3.282 1.00 0.00 H new ATOM 0 HG23 VAL A 432 -2.344 -2.844 2.891 1.00 0.00 H new ATOM 386 N TYR A 433 -3.065 -2.046 -0.968 1.00 0.00 N ATOM 387 CA TYR A 433 -2.153 -1.124 -1.635 1.00 0.00 C ATOM 388 C TYR A 433 -2.406 0.312 -1.189 1.00 0.00 C ATOM 389 O TYR A 433 -3.521 0.824 -1.305 1.00 0.00 O ATOM 390 CB TYR A 433 -2.306 -1.233 -3.154 1.00 0.00 C ATOM 391 CG TYR A 433 -1.391 -0.307 -3.922 1.00 0.00 C ATOM 392 CD1 TYR A 433 -0.122 0.000 -3.446 1.00 0.00 C ATOM 393 CD2 TYR A 433 -1.794 0.261 -5.124 1.00 0.00 C ATOM 394 CE1 TYR A 433 0.718 0.846 -4.144 1.00 0.00 C ATOM 395 CE2 TYR A 433 -0.961 1.106 -5.830 1.00 0.00 C ATOM 396 CZ TYR A 433 0.294 1.396 -5.336 1.00 0.00 C ATOM 397 OH TYR A 433 1.127 2.239 -6.036 1.00 0.00 O ATOM 0 H TYR A 433 -3.999 -2.084 -1.375 1.00 0.00 H new ATOM 0 HA TYR A 433 -1.135 -1.396 -1.358 1.00 0.00 H new ATOM 0 HB2 TYR A 433 -2.108 -2.261 -3.458 1.00 0.00 H new ATOM 0 HB3 TYR A 433 -3.339 -1.015 -3.423 1.00 0.00 H new ATOM 0 HD1 TYR A 433 0.213 -0.430 -2.514 1.00 0.00 H new ATOM 0 HD2 TYR A 433 -2.776 0.038 -5.513 1.00 0.00 H new ATOM 0 HE1 TYR A 433 1.701 1.075 -3.759 1.00 0.00 H new ATOM 0 HE2 TYR A 433 -1.290 1.538 -6.764 1.00 0.00 H new ATOM 0 HH TYR A 433 2.057 1.955 -5.915 1.00 0.00 H new ATOM 407 N LEU A 434 -1.364 0.958 -0.678 1.00 0.00 N ATOM 408 CA LEU A 434 -1.471 2.337 -0.214 1.00 0.00 C ATOM 409 C LEU A 434 -0.671 3.277 -1.110 1.00 0.00 C ATOM 410 O LEU A 434 0.479 2.999 -1.452 1.00 0.00 O ATOM 411 CB LEU A 434 -0.979 2.450 1.230 1.00 0.00 C ATOM 412 CG LEU A 434 -1.859 1.790 2.292 1.00 0.00 C ATOM 413 CD1 LEU A 434 -1.066 1.546 3.566 1.00 0.00 C ATOM 414 CD2 LEU A 434 -3.082 2.649 2.579 1.00 0.00 C ATOM 0 H LEU A 434 -0.435 0.549 -0.574 1.00 0.00 H new ATOM 0 HA LEU A 434 -2.520 2.628 -0.258 1.00 0.00 H new ATOM 0 HB2 LEU A 434 0.017 2.012 1.289 1.00 0.00 H new ATOM 0 HB3 LEU A 434 -0.877 3.507 1.477 1.00 0.00 H new ATOM 0 HG LEU A 434 -2.197 0.827 1.909 1.00 0.00 H new ATOM 0 HD11 LEU A 434 -1.709 1.076 4.310 1.00 0.00 H new ATOM 0 HD12 LEU A 434 -0.222 0.891 3.349 1.00 0.00 H new ATOM 0 HD13 LEU A 434 -0.698 2.496 3.953 1.00 0.00 H new ATOM 0 HD21 LEU A 434 -3.697 2.164 3.337 1.00 0.00 H new ATOM 0 HD22 LEU A 434 -2.763 3.626 2.941 1.00 0.00 H new ATOM 0 HD23 LEU A 434 -3.663 2.772 1.665 1.00 0.00 H new ATOM 426 N LYS A 435 -1.286 4.393 -1.487 1.00 0.00 N ATOM 427 CA LYS A 435 -0.631 5.377 -2.341 1.00 0.00 C ATOM 428 C LYS A 435 -0.764 6.780 -1.755 1.00 0.00 C ATOM 429 O LYS A 435 -1.868 7.308 -1.628 1.00 0.00 O ATOM 430 CB LYS A 435 -1.231 5.342 -3.748 1.00 0.00 C ATOM 431 CG LYS A 435 -1.293 3.948 -4.348 1.00 0.00 C ATOM 432 CD LYS A 435 -2.225 3.897 -5.547 1.00 0.00 C ATOM 433 CE LYS A 435 -1.525 4.356 -6.817 1.00 0.00 C ATOM 434 NZ LYS A 435 -1.664 5.824 -7.027 1.00 0.00 N ATOM 0 H LYS A 435 -2.238 4.639 -1.214 1.00 0.00 H new ATOM 0 HA LYS A 435 0.428 5.124 -2.398 1.00 0.00 H new ATOM 0 HB2 LYS A 435 -2.237 5.759 -3.715 1.00 0.00 H new ATOM 0 HB3 LYS A 435 -0.641 5.984 -4.402 1.00 0.00 H new ATOM 0 HG2 LYS A 435 -0.293 3.636 -4.650 1.00 0.00 H new ATOM 0 HG3 LYS A 435 -1.633 3.240 -3.592 1.00 0.00 H new ATOM 0 HD2 LYS A 435 -2.593 2.880 -5.680 1.00 0.00 H new ATOM 0 HD3 LYS A 435 -3.094 4.528 -5.361 1.00 0.00 H new ATOM 0 HE2 LYS A 435 -0.468 4.095 -6.764 1.00 0.00 H new ATOM 0 HE3 LYS A 435 -1.941 3.826 -7.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 435 -1.992 6.006 -7.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 435 -2.354 6.208 -6.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 435 -0.743 6.284 -6.881 1.00 0.00 H new ATOM 448 N GLY A 436 0.369 7.378 -1.401 1.00 0.00 N ATOM 449 CA GLY A 436 0.357 8.715 -0.835 1.00 0.00 C ATOM 450 C GLY A 436 1.295 8.852 0.348 1.00 0.00 C ATOM 451 O GLY A 436 1.581 9.962 0.797 1.00 0.00 O ATOM 0 H GLY A 436 1.295 6.961 -1.496 1.00 0.00 H new ATOM 0 HA2 GLY A 436 0.639 9.434 -1.604 1.00 0.00 H new ATOM 0 HA3 GLY A 436 -0.657 8.965 -0.522 1.00 0.00 H new ATOM 455 N LEU A 437 1.775 7.721 0.854 1.00 0.00 N ATOM 456 CA LEU A 437 2.685 7.719 1.994 1.00 0.00 C ATOM 457 C LEU A 437 3.684 8.868 1.895 1.00 0.00 C ATOM 458 O LEU A 437 4.074 9.292 0.807 1.00 0.00 O ATOM 459 CB LEU A 437 3.430 6.386 2.074 1.00 0.00 C ATOM 460 CG LEU A 437 2.617 5.192 2.575 1.00 0.00 C ATOM 461 CD1 LEU A 437 3.392 3.898 2.377 1.00 0.00 C ATOM 462 CD2 LEU A 437 2.246 5.375 4.039 1.00 0.00 C ATOM 0 H LEU A 437 1.549 6.794 0.493 1.00 0.00 H new ATOM 0 HA LEU A 437 2.094 7.853 2.900 1.00 0.00 H new ATOM 0 HB2 LEU A 437 3.815 6.148 1.082 1.00 0.00 H new ATOM 0 HB3 LEU A 437 4.292 6.513 2.728 1.00 0.00 H new ATOM 0 HG LEU A 437 1.697 5.134 1.993 1.00 0.00 H new ATOM 0 HD11 LEU A 437 2.798 3.059 2.739 1.00 0.00 H new ATOM 0 HD12 LEU A 437 3.606 3.760 1.317 1.00 0.00 H new ATOM 0 HD13 LEU A 437 4.329 3.946 2.933 1.00 0.00 H new ATOM 0 HD21 LEU A 437 1.668 4.515 4.378 1.00 0.00 H new ATOM 0 HD22 LEU A 437 3.154 5.460 4.636 1.00 0.00 H new ATOM 0 HD23 LEU A 437 1.650 6.281 4.153 1.00 0.00 H new ATOM 474 N PRO A 438 4.111 9.383 3.057 1.00 0.00 N ATOM 475 CA PRO A 438 5.072 10.488 3.128 1.00 0.00 C ATOM 476 C PRO A 438 6.471 10.068 2.688 1.00 0.00 C ATOM 477 O PRO A 438 6.735 8.886 2.469 1.00 0.00 O ATOM 478 CB PRO A 438 5.070 10.866 4.611 1.00 0.00 C ATOM 479 CG PRO A 438 4.647 9.625 5.318 1.00 0.00 C ATOM 480 CD PRO A 438 3.689 8.927 4.392 1.00 0.00 C ATOM 0 HA PRO A 438 4.799 11.309 2.465 1.00 0.00 H new ATOM 0 HB2 PRO A 438 6.058 11.191 4.938 1.00 0.00 H new ATOM 0 HB3 PRO A 438 4.382 11.688 4.809 1.00 0.00 H new ATOM 0 HG2 PRO A 438 5.505 8.991 5.542 1.00 0.00 H new ATOM 0 HG3 PRO A 438 4.169 9.861 6.269 1.00 0.00 H new ATOM 0 HD2 PRO A 438 3.757 7.843 4.486 1.00 0.00 H new ATOM 0 HD3 PRO A 438 2.655 9.201 4.602 1.00 0.00 H new ATOM 488 N PHE A 439 7.364 11.044 2.560 1.00 0.00 N ATOM 489 CA PHE A 439 8.736 10.776 2.145 1.00 0.00 C ATOM 490 C PHE A 439 9.498 10.029 3.237 1.00 0.00 C ATOM 491 O PHE A 439 10.116 8.997 2.980 1.00 0.00 O ATOM 492 CB PHE A 439 9.455 12.084 1.809 1.00 0.00 C ATOM 493 CG PHE A 439 8.777 12.880 0.731 1.00 0.00 C ATOM 494 CD1 PHE A 439 8.651 12.369 -0.551 1.00 0.00 C ATOM 495 CD2 PHE A 439 8.266 14.140 0.999 1.00 0.00 C ATOM 496 CE1 PHE A 439 8.029 13.100 -1.545 1.00 0.00 C ATOM 497 CE2 PHE A 439 7.642 14.875 0.008 1.00 0.00 C ATOM 498 CZ PHE A 439 7.523 14.354 -1.265 1.00 0.00 C ATOM 0 H PHE A 439 7.162 12.028 2.738 1.00 0.00 H new ATOM 0 HA PHE A 439 8.704 10.149 1.254 1.00 0.00 H new ATOM 0 HB2 PHE A 439 9.525 12.693 2.710 1.00 0.00 H new ATOM 0 HB3 PHE A 439 10.475 11.859 1.497 1.00 0.00 H new ATOM 0 HD1 PHE A 439 9.043 11.388 -0.776 1.00 0.00 H new ATOM 0 HD2 PHE A 439 8.356 14.552 1.993 1.00 0.00 H new ATOM 0 HE1 PHE A 439 7.939 12.691 -2.540 1.00 0.00 H new ATOM 0 HE2 PHE A 439 7.248 15.856 0.230 1.00 0.00 H new ATOM 0 HZ PHE A 439 7.035 14.926 -2.040 1.00 0.00 H new ATOM 508 N GLU A 440 9.448 10.561 4.454 1.00 0.00 N ATOM 509 CA GLU A 440 10.135 9.946 5.584 1.00 0.00 C ATOM 510 C GLU A 440 9.246 8.905 6.259 1.00 0.00 C ATOM 511 O GLU A 440 9.352 8.669 7.462 1.00 0.00 O ATOM 512 CB GLU A 440 10.550 11.013 6.599 1.00 0.00 C ATOM 513 CG GLU A 440 9.375 11.711 7.264 1.00 0.00 C ATOM 514 CD GLU A 440 9.764 13.032 7.897 1.00 0.00 C ATOM 515 OE1 GLU A 440 9.927 14.021 7.152 1.00 0.00 O ATOM 516 OE2 GLU A 440 9.907 13.078 9.137 1.00 0.00 O ATOM 0 H GLU A 440 8.940 11.415 4.683 1.00 0.00 H new ATOM 0 HA GLU A 440 11.028 9.447 5.206 1.00 0.00 H new ATOM 0 HB2 GLU A 440 11.169 10.550 7.368 1.00 0.00 H new ATOM 0 HB3 GLU A 440 11.168 11.758 6.098 1.00 0.00 H new ATOM 0 HG2 GLU A 440 8.593 11.883 6.524 1.00 0.00 H new ATOM 0 HG3 GLU A 440 8.953 11.057 8.027 1.00 0.00 H new ATOM 523 N ALA A 441 8.371 8.285 5.475 1.00 0.00 N ATOM 524 CA ALA A 441 7.465 7.268 5.995 1.00 0.00 C ATOM 525 C ALA A 441 8.239 6.114 6.624 1.00 0.00 C ATOM 526 O ALA A 441 9.448 5.989 6.433 1.00 0.00 O ATOM 527 CB ALA A 441 6.555 6.756 4.889 1.00 0.00 C ATOM 0 H ALA A 441 8.270 8.469 4.477 1.00 0.00 H new ATOM 0 HA ALA A 441 6.852 7.725 6.771 1.00 0.00 H new ATOM 0 HB1 ALA A 441 5.884 5.997 5.292 1.00 0.00 H new ATOM 0 HB2 ALA A 441 5.969 7.583 4.488 1.00 0.00 H new ATOM 0 HB3 ALA A 441 7.159 6.320 4.093 1.00 0.00 H new ATOM 533 N GLU A 442 7.533 5.273 7.373 1.00 0.00 N ATOM 534 CA GLU A 442 8.155 4.129 8.030 1.00 0.00 C ATOM 535 C GLU A 442 7.110 3.083 8.406 1.00 0.00 C ATOM 536 O GLU A 442 5.912 3.362 8.416 1.00 0.00 O ATOM 537 CB GLU A 442 8.913 4.582 9.280 1.00 0.00 C ATOM 538 CG GLU A 442 10.279 5.175 8.982 1.00 0.00 C ATOM 539 CD GLU A 442 11.208 5.131 10.180 1.00 0.00 C ATOM 540 OE1 GLU A 442 11.581 4.015 10.600 1.00 0.00 O ATOM 541 OE2 GLU A 442 11.562 6.210 10.697 1.00 0.00 O ATOM 0 H GLU A 442 6.531 5.362 7.540 1.00 0.00 H new ATOM 0 HA GLU A 442 8.859 3.678 7.330 1.00 0.00 H new ATOM 0 HB2 GLU A 442 8.313 5.322 9.810 1.00 0.00 H new ATOM 0 HB3 GLU A 442 9.034 3.731 9.950 1.00 0.00 H new ATOM 0 HG2 GLU A 442 10.734 4.632 8.154 1.00 0.00 H new ATOM 0 HG3 GLU A 442 10.159 6.209 8.657 1.00 0.00 H new ATOM 548 N ASN A 443 7.574 1.876 8.716 1.00 0.00 N ATOM 549 CA ASN A 443 6.680 0.787 9.091 1.00 0.00 C ATOM 550 C ASN A 443 5.697 1.237 10.167 1.00 0.00 C ATOM 551 O ASN A 443 4.547 0.799 10.196 1.00 0.00 O ATOM 552 CB ASN A 443 7.487 -0.413 9.592 1.00 0.00 C ATOM 553 CG ASN A 443 8.672 -0.726 8.698 1.00 0.00 C ATOM 554 OD1 ASN A 443 9.617 0.057 8.604 1.00 0.00 O ATOM 555 ND2 ASN A 443 8.625 -1.877 8.036 1.00 0.00 N ATOM 0 H ASN A 443 8.563 1.628 8.715 1.00 0.00 H new ATOM 0 HA ASN A 443 6.115 0.493 8.207 1.00 0.00 H new ATOM 0 HB2 ASN A 443 7.841 -0.213 10.603 1.00 0.00 H new ATOM 0 HB3 ASN A 443 6.837 -1.286 9.649 1.00 0.00 H new ATOM 0 HD21 ASN A 443 9.393 -2.142 7.419 1.00 0.00 H new ATOM 0 HD22 ASN A 443 7.821 -2.495 8.145 1.00 0.00 H new ATOM 562 N LYS A 444 6.157 2.115 11.052 1.00 0.00 N ATOM 563 CA LYS A 444 5.319 2.628 12.129 1.00 0.00 C ATOM 564 C LYS A 444 4.144 3.426 11.573 1.00 0.00 C ATOM 565 O LYS A 444 3.035 3.371 12.105 1.00 0.00 O ATOM 566 CB LYS A 444 6.145 3.505 13.072 1.00 0.00 C ATOM 567 CG LYS A 444 6.635 4.793 12.432 1.00 0.00 C ATOM 568 CD LYS A 444 7.205 5.748 13.467 1.00 0.00 C ATOM 569 CE LYS A 444 8.592 5.319 13.918 1.00 0.00 C ATOM 570 NZ LYS A 444 8.923 5.846 15.271 1.00 0.00 N ATOM 0 H LYS A 444 7.107 2.486 11.044 1.00 0.00 H new ATOM 0 HA LYS A 444 4.925 1.777 12.685 1.00 0.00 H new ATOM 0 HB2 LYS A 444 5.543 3.750 13.947 1.00 0.00 H new ATOM 0 HB3 LYS A 444 7.004 2.935 13.425 1.00 0.00 H new ATOM 0 HG2 LYS A 444 7.398 4.563 11.688 1.00 0.00 H new ATOM 0 HG3 LYS A 444 5.811 5.275 11.905 1.00 0.00 H new ATOM 0 HD2 LYS A 444 7.252 6.753 13.049 1.00 0.00 H new ATOM 0 HD3 LYS A 444 6.539 5.792 14.329 1.00 0.00 H new ATOM 0 HE2 LYS A 444 8.650 4.231 13.928 1.00 0.00 H new ATOM 0 HE3 LYS A 444 9.333 5.671 13.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 444 9.876 5.532 15.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 444 8.893 6.885 15.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 444 8.231 5.490 15.961 1.00 0.00 H new ATOM 584 N HIS A 445 4.395 4.166 10.497 1.00 0.00 N ATOM 585 CA HIS A 445 3.357 4.974 9.867 1.00 0.00 C ATOM 586 C HIS A 445 2.283 4.088 9.241 1.00 0.00 C ATOM 587 O HIS A 445 1.088 4.347 9.386 1.00 0.00 O ATOM 588 CB HIS A 445 3.967 5.886 8.802 1.00 0.00 C ATOM 589 CG HIS A 445 4.692 7.067 9.368 1.00 0.00 C ATOM 590 ND1 HIS A 445 6.036 7.047 9.679 1.00 0.00 N ATOM 591 CD2 HIS A 445 4.254 8.309 9.679 1.00 0.00 C ATOM 592 CE1 HIS A 445 6.392 8.226 10.157 1.00 0.00 C ATOM 593 NE2 HIS A 445 5.329 9.010 10.167 1.00 0.00 N ATOM 0 H HIS A 445 5.307 4.223 10.044 1.00 0.00 H new ATOM 0 HA HIS A 445 2.892 5.589 10.638 1.00 0.00 H new ATOM 0 HB2 HIS A 445 4.658 5.305 8.191 1.00 0.00 H new ATOM 0 HB3 HIS A 445 3.175 6.239 8.141 1.00 0.00 H new ATOM 0 HD2 HIS A 445 3.246 8.680 9.565 1.00 0.00 H new ATOM 0 HE1 HIS A 445 7.384 8.502 10.484 1.00 0.00 H new ATOM 0 HE2 HIS A 445 5.310 9.979 10.486 1.00 0.00 H new ATOM 602 N VAL A 446 2.718 3.043 8.545 1.00 0.00 N ATOM 603 CA VAL A 446 1.794 2.119 7.897 1.00 0.00 C ATOM 604 C VAL A 446 0.896 1.432 8.920 1.00 0.00 C ATOM 605 O VAL A 446 -0.291 1.218 8.675 1.00 0.00 O ATOM 606 CB VAL A 446 2.548 1.045 7.090 1.00 0.00 C ATOM 607 CG1 VAL A 446 1.608 -0.083 6.692 1.00 0.00 C ATOM 608 CG2 VAL A 446 3.202 1.663 5.863 1.00 0.00 C ATOM 0 H VAL A 446 3.704 2.815 8.415 1.00 0.00 H new ATOM 0 HA VAL A 446 1.180 2.710 7.217 1.00 0.00 H new ATOM 0 HB VAL A 446 3.333 0.626 7.720 1.00 0.00 H new ATOM 0 HG11 VAL A 446 2.159 -0.832 6.123 1.00 0.00 H new ATOM 0 HG12 VAL A 446 1.191 -0.543 7.588 1.00 0.00 H new ATOM 0 HG13 VAL A 446 0.800 0.316 6.079 1.00 0.00 H new ATOM 0 HG21 VAL A 446 3.730 0.890 5.304 1.00 0.00 H new ATOM 0 HG22 VAL A 446 2.436 2.110 5.229 1.00 0.00 H new ATOM 0 HG23 VAL A 446 3.908 2.432 6.176 1.00 0.00 H new ATOM 618 N ILE A 447 1.471 1.089 10.068 1.00 0.00 N ATOM 619 CA ILE A 447 0.722 0.427 11.129 1.00 0.00 C ATOM 620 C ILE A 447 -0.321 1.363 11.731 1.00 0.00 C ATOM 621 O ILE A 447 -1.452 0.957 12.000 1.00 0.00 O ATOM 622 CB ILE A 447 1.655 -0.072 12.249 1.00 0.00 C ATOM 623 CG1 ILE A 447 2.674 -1.065 11.689 1.00 0.00 C ATOM 624 CG2 ILE A 447 0.844 -0.710 13.368 1.00 0.00 C ATOM 625 CD1 ILE A 447 3.928 -1.182 12.528 1.00 0.00 C ATOM 0 H ILE A 447 2.453 1.259 10.287 1.00 0.00 H new ATOM 0 HA ILE A 447 0.221 -0.429 10.676 1.00 0.00 H new ATOM 0 HB ILE A 447 2.196 0.781 12.659 1.00 0.00 H new ATOM 0 HG12 ILE A 447 2.207 -2.047 11.610 1.00 0.00 H new ATOM 0 HG13 ILE A 447 2.949 -0.760 10.679 1.00 0.00 H new ATOM 0 HG21 ILE A 447 1.517 -1.058 14.152 1.00 0.00 H new ATOM 0 HG22 ILE A 447 0.154 0.025 13.782 1.00 0.00 H new ATOM 0 HG23 ILE A 447 0.280 -1.555 12.973 1.00 0.00 H new ATOM 0 HD11 ILE A 447 4.605 -1.903 12.071 1.00 0.00 H new ATOM 0 HD12 ILE A 447 4.418 -0.210 12.587 1.00 0.00 H new ATOM 0 HD13 ILE A 447 3.665 -1.517 13.531 1.00 0.00 H new ATOM 637 N ASP A 448 0.066 2.617 11.938 1.00 0.00 N ATOM 638 CA ASP A 448 -0.837 3.612 12.505 1.00 0.00 C ATOM 639 C ASP A 448 -2.076 3.781 11.632 1.00 0.00 C ATOM 640 O ASP A 448 -3.174 4.026 12.134 1.00 0.00 O ATOM 641 CB ASP A 448 -0.119 4.954 12.659 1.00 0.00 C ATOM 642 CG ASP A 448 -1.023 6.032 13.225 1.00 0.00 C ATOM 643 OD1 ASP A 448 -2.062 6.324 12.597 1.00 0.00 O ATOM 644 OD2 ASP A 448 -0.690 6.583 14.295 1.00 0.00 O ATOM 0 H ASP A 448 0.999 2.969 11.722 1.00 0.00 H new ATOM 0 HA ASP A 448 -1.152 3.263 13.488 1.00 0.00 H new ATOM 0 HB2 ASP A 448 0.745 4.828 13.312 1.00 0.00 H new ATOM 0 HB3 ASP A 448 0.260 5.274 11.688 1.00 0.00 H new ATOM 649 N PHE A 449 -1.893 3.651 10.322 1.00 0.00 N ATOM 650 CA PHE A 449 -2.996 3.791 9.378 1.00 0.00 C ATOM 651 C PHE A 449 -3.972 2.625 9.505 1.00 0.00 C ATOM 652 O PHE A 449 -5.184 2.798 9.373 1.00 0.00 O ATOM 653 CB PHE A 449 -2.463 3.872 7.946 1.00 0.00 C ATOM 654 CG PHE A 449 -3.506 4.267 6.940 1.00 0.00 C ATOM 655 CD1 PHE A 449 -4.374 3.324 6.415 1.00 0.00 C ATOM 656 CD2 PHE A 449 -3.616 5.582 6.518 1.00 0.00 C ATOM 657 CE1 PHE A 449 -5.335 3.684 5.489 1.00 0.00 C ATOM 658 CE2 PHE A 449 -4.575 5.949 5.592 1.00 0.00 C ATOM 659 CZ PHE A 449 -5.435 4.999 5.076 1.00 0.00 C ATOM 0 H PHE A 449 -0.991 3.449 9.890 1.00 0.00 H new ATOM 0 HA PHE A 449 -3.527 4.713 9.613 1.00 0.00 H new ATOM 0 HB2 PHE A 449 -1.645 4.592 7.911 1.00 0.00 H new ATOM 0 HB3 PHE A 449 -2.048 2.904 7.666 1.00 0.00 H new ATOM 0 HD1 PHE A 449 -4.299 2.295 6.733 1.00 0.00 H new ATOM 0 HD2 PHE A 449 -2.945 6.329 6.917 1.00 0.00 H new ATOM 0 HE1 PHE A 449 -6.007 2.939 5.089 1.00 0.00 H new ATOM 0 HE2 PHE A 449 -4.652 6.978 5.272 1.00 0.00 H new ATOM 0 HZ PHE A 449 -6.184 5.283 4.351 1.00 0.00 H new ATOM 669 N PHE A 450 -3.435 1.437 9.760 1.00 0.00 N ATOM 670 CA PHE A 450 -4.257 0.241 9.903 1.00 0.00 C ATOM 671 C PHE A 450 -4.148 -0.329 11.314 1.00 0.00 C ATOM 672 O PHE A 450 -3.958 -1.532 11.497 1.00 0.00 O ATOM 673 CB PHE A 450 -3.839 -0.816 8.879 1.00 0.00 C ATOM 674 CG PHE A 450 -4.208 -0.463 7.467 1.00 0.00 C ATOM 675 CD1 PHE A 450 -5.498 -0.067 7.152 1.00 0.00 C ATOM 676 CD2 PHE A 450 -3.265 -0.527 6.454 1.00 0.00 C ATOM 677 CE1 PHE A 450 -5.841 0.260 5.854 1.00 0.00 C ATOM 678 CE2 PHE A 450 -3.602 -0.202 5.153 1.00 0.00 C ATOM 679 CZ PHE A 450 -4.892 0.191 4.853 1.00 0.00 C ATOM 0 H PHE A 450 -2.434 1.276 9.872 1.00 0.00 H new ATOM 0 HA PHE A 450 -5.295 0.520 9.723 1.00 0.00 H new ATOM 0 HB2 PHE A 450 -2.760 -0.961 8.938 1.00 0.00 H new ATOM 0 HB3 PHE A 450 -4.303 -1.767 9.140 1.00 0.00 H new ATOM 0 HD1 PHE A 450 -6.245 -0.013 7.931 1.00 0.00 H new ATOM 0 HD2 PHE A 450 -2.255 -0.834 6.683 1.00 0.00 H new ATOM 0 HE1 PHE A 450 -6.850 0.569 5.623 1.00 0.00 H new ATOM 0 HE2 PHE A 450 -2.858 -0.255 4.372 1.00 0.00 H new ATOM 0 HZ PHE A 450 -5.158 0.444 3.837 1.00 0.00 H new ATOM 689 N LYS A 451 -4.267 0.543 12.309 1.00 0.00 N ATOM 690 CA LYS A 451 -4.182 0.129 13.704 1.00 0.00 C ATOM 691 C LYS A 451 -5.381 -0.732 14.090 1.00 0.00 C ATOM 692 O LYS A 451 -6.272 -0.975 13.276 1.00 0.00 O ATOM 693 CB LYS A 451 -4.107 1.355 14.618 1.00 0.00 C ATOM 694 CG LYS A 451 -2.688 1.822 14.893 1.00 0.00 C ATOM 695 CD LYS A 451 -2.108 1.149 16.126 1.00 0.00 C ATOM 696 CE LYS A 451 -0.696 1.634 16.414 1.00 0.00 C ATOM 697 NZ LYS A 451 -0.628 3.118 16.509 1.00 0.00 N ATOM 0 H LYS A 451 -4.423 1.542 12.175 1.00 0.00 H new ATOM 0 HA LYS A 451 -3.276 -0.464 13.826 1.00 0.00 H new ATOM 0 HB2 LYS A 451 -4.668 2.172 14.163 1.00 0.00 H new ATOM 0 HB3 LYS A 451 -4.594 1.122 15.565 1.00 0.00 H new ATOM 0 HG2 LYS A 451 -2.059 1.605 14.030 1.00 0.00 H new ATOM 0 HG3 LYS A 451 -2.680 2.903 15.030 1.00 0.00 H new ATOM 0 HD2 LYS A 451 -2.746 1.352 16.986 1.00 0.00 H new ATOM 0 HD3 LYS A 451 -2.100 0.069 15.982 1.00 0.00 H new ATOM 0 HE2 LYS A 451 -0.344 1.194 17.347 1.00 0.00 H new ATOM 0 HE3 LYS A 451 -0.026 1.289 15.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 451 0.232 3.394 17.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 451 -0.604 3.526 15.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 451 -1.464 3.472 17.016 1.00 0.00 H new ATOM 711 N LYS A 452 -5.397 -1.191 15.337 1.00 0.00 N ATOM 712 CA LYS A 452 -6.487 -2.023 15.832 1.00 0.00 C ATOM 713 C LYS A 452 -6.738 -3.203 14.899 1.00 0.00 C ATOM 714 O LYS A 452 -7.862 -3.695 14.793 1.00 0.00 O ATOM 715 CB LYS A 452 -7.764 -1.193 15.977 1.00 0.00 C ATOM 716 CG LYS A 452 -7.909 -0.531 17.337 1.00 0.00 C ATOM 717 CD LYS A 452 -7.117 0.764 17.414 1.00 0.00 C ATOM 718 CE LYS A 452 -6.856 1.173 18.855 1.00 0.00 C ATOM 719 NZ LYS A 452 -8.106 1.589 19.548 1.00 0.00 N ATOM 0 H LYS A 452 -4.667 -1.001 16.023 1.00 0.00 H new ATOM 0 HA LYS A 452 -6.200 -2.410 16.810 1.00 0.00 H new ATOM 0 HB2 LYS A 452 -7.777 -0.424 15.205 1.00 0.00 H new ATOM 0 HB3 LYS A 452 -8.627 -1.836 15.801 1.00 0.00 H new ATOM 0 HG2 LYS A 452 -8.962 -0.327 17.533 1.00 0.00 H new ATOM 0 HG3 LYS A 452 -7.567 -1.215 18.114 1.00 0.00 H new ATOM 0 HD2 LYS A 452 -6.168 0.643 16.892 1.00 0.00 H new ATOM 0 HD3 LYS A 452 -7.663 1.557 16.903 1.00 0.00 H new ATOM 0 HE2 LYS A 452 -6.403 0.340 19.393 1.00 0.00 H new ATOM 0 HE3 LYS A 452 -6.139 1.994 18.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 452 -7.886 1.860 20.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 452 -8.526 2.400 19.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 452 -8.781 0.798 19.551 1.00 0.00 H new ATOM 733 N LEU A 453 -5.685 -3.654 14.227 1.00 0.00 N ATOM 734 CA LEU A 453 -5.791 -4.778 13.303 1.00 0.00 C ATOM 735 C LEU A 453 -4.550 -5.662 13.377 1.00 0.00 C ATOM 736 O LEU A 453 -3.617 -5.378 14.128 1.00 0.00 O ATOM 737 CB LEU A 453 -5.987 -4.272 11.873 1.00 0.00 C ATOM 738 CG LEU A 453 -7.246 -3.441 11.621 1.00 0.00 C ATOM 739 CD1 LEU A 453 -7.136 -2.693 10.301 1.00 0.00 C ATOM 740 CD2 LEU A 453 -8.482 -4.329 11.632 1.00 0.00 C ATOM 0 H LEU A 453 -4.748 -3.259 14.304 1.00 0.00 H new ATOM 0 HA LEU A 453 -6.657 -5.374 13.592 1.00 0.00 H new ATOM 0 HB2 LEU A 453 -5.119 -3.672 11.599 1.00 0.00 H new ATOM 0 HB3 LEU A 453 -6.004 -5.132 11.204 1.00 0.00 H new ATOM 0 HG LEU A 453 -7.342 -2.709 12.423 1.00 0.00 H new ATOM 0 HD11 LEU A 453 -8.041 -2.107 10.138 1.00 0.00 H new ATOM 0 HD12 LEU A 453 -6.273 -2.028 10.331 1.00 0.00 H new ATOM 0 HD13 LEU A 453 -7.015 -3.408 9.487 1.00 0.00 H new ATOM 0 HD21 LEU A 453 -9.368 -3.721 11.451 1.00 0.00 H new ATOM 0 HD22 LEU A 453 -8.394 -5.084 10.851 1.00 0.00 H new ATOM 0 HD23 LEU A 453 -8.570 -4.819 12.602 1.00 0.00 H new ATOM 752 N ASP A 454 -4.546 -6.733 12.590 1.00 0.00 N ATOM 753 CA ASP A 454 -3.418 -7.657 12.563 1.00 0.00 C ATOM 754 C ASP A 454 -2.622 -7.506 11.271 1.00 0.00 C ATOM 755 O ASP A 454 -3.072 -7.919 10.202 1.00 0.00 O ATOM 756 CB ASP A 454 -3.908 -9.098 12.709 1.00 0.00 C ATOM 757 CG ASP A 454 -4.019 -9.528 14.159 1.00 0.00 C ATOM 758 OD1 ASP A 454 -4.940 -9.048 14.852 1.00 0.00 O ATOM 759 OD2 ASP A 454 -3.184 -10.345 14.600 1.00 0.00 O ATOM 0 H ASP A 454 -5.311 -6.982 11.963 1.00 0.00 H new ATOM 0 HA ASP A 454 -2.764 -7.417 13.401 1.00 0.00 H new ATOM 0 HB2 ASP A 454 -4.881 -9.198 12.228 1.00 0.00 H new ATOM 0 HB3 ASP A 454 -3.224 -9.766 12.186 1.00 0.00 H new ATOM 764 N ILE A 455 -1.439 -6.911 11.377 1.00 0.00 N ATOM 765 CA ILE A 455 -0.581 -6.705 10.216 1.00 0.00 C ATOM 766 C ILE A 455 0.802 -7.306 10.442 1.00 0.00 C ATOM 767 O ILE A 455 1.474 -6.993 11.424 1.00 0.00 O ATOM 768 CB ILE A 455 -0.431 -5.209 9.885 1.00 0.00 C ATOM 769 CG1 ILE A 455 -1.754 -4.644 9.364 1.00 0.00 C ATOM 770 CG2 ILE A 455 0.678 -5.001 8.864 1.00 0.00 C ATOM 771 CD1 ILE A 455 -1.818 -3.133 9.390 1.00 0.00 C ATOM 0 H ILE A 455 -1.052 -6.563 12.254 1.00 0.00 H new ATOM 0 HA ILE A 455 -1.060 -7.208 9.376 1.00 0.00 H new ATOM 0 HB ILE A 455 -0.164 -4.676 10.797 1.00 0.00 H new ATOM 0 HG12 ILE A 455 -1.909 -4.989 8.342 1.00 0.00 H new ATOM 0 HG13 ILE A 455 -2.572 -5.045 9.963 1.00 0.00 H new ATOM 0 HG21 ILE A 455 0.772 -3.938 8.640 1.00 0.00 H new ATOM 0 HG22 ILE A 455 1.620 -5.371 9.269 1.00 0.00 H new ATOM 0 HG23 ILE A 455 0.438 -5.544 7.950 1.00 0.00 H new ATOM 0 HD11 ILE A 455 -2.784 -2.803 9.007 1.00 0.00 H new ATOM 0 HD12 ILE A 455 -1.695 -2.781 10.414 1.00 0.00 H new ATOM 0 HD13 ILE A 455 -1.022 -2.724 8.768 1.00 0.00 H new ATOM 783 N VAL A 456 1.223 -8.170 9.523 1.00 0.00 N ATOM 784 CA VAL A 456 2.528 -8.813 9.620 1.00 0.00 C ATOM 785 C VAL A 456 3.654 -7.801 9.442 1.00 0.00 C ATOM 786 O VAL A 456 4.000 -7.434 8.320 1.00 0.00 O ATOM 787 CB VAL A 456 2.684 -9.928 8.568 1.00 0.00 C ATOM 788 CG1 VAL A 456 3.820 -10.865 8.948 1.00 0.00 C ATOM 789 CG2 VAL A 456 1.380 -10.695 8.409 1.00 0.00 C ATOM 0 H VAL A 456 0.679 -8.440 8.703 1.00 0.00 H new ATOM 0 HA VAL A 456 2.591 -9.251 10.616 1.00 0.00 H new ATOM 0 HB VAL A 456 2.929 -9.469 7.610 1.00 0.00 H new ATOM 0 HG11 VAL A 456 3.915 -11.646 8.194 1.00 0.00 H new ATOM 0 HG12 VAL A 456 4.752 -10.302 9.007 1.00 0.00 H new ATOM 0 HG13 VAL A 456 3.608 -11.319 9.916 1.00 0.00 H new ATOM 0 HG21 VAL A 456 1.508 -11.479 7.662 1.00 0.00 H new ATOM 0 HG22 VAL A 456 1.103 -11.144 9.363 1.00 0.00 H new ATOM 0 HG23 VAL A 456 0.593 -10.012 8.088 1.00 0.00 H new ATOM 799 N GLU A 457 4.222 -7.353 10.558 1.00 0.00 N ATOM 800 CA GLU A 457 5.309 -6.382 10.524 1.00 0.00 C ATOM 801 C GLU A 457 6.272 -6.683 9.379 1.00 0.00 C ATOM 802 O GLU A 457 6.839 -5.772 8.775 1.00 0.00 O ATOM 803 CB GLU A 457 6.065 -6.383 11.854 1.00 0.00 C ATOM 804 CG GLU A 457 5.409 -5.531 12.928 1.00 0.00 C ATOM 805 CD GLU A 457 6.335 -5.247 14.095 1.00 0.00 C ATOM 806 OE1 GLU A 457 7.503 -4.880 13.850 1.00 0.00 O ATOM 807 OE2 GLU A 457 5.891 -5.394 15.253 1.00 0.00 O ATOM 0 H GLU A 457 3.947 -7.647 11.495 1.00 0.00 H new ATOM 0 HA GLU A 457 4.875 -5.395 10.361 1.00 0.00 H new ATOM 0 HB2 GLU A 457 6.147 -7.408 12.215 1.00 0.00 H new ATOM 0 HB3 GLU A 457 7.080 -6.023 11.686 1.00 0.00 H new ATOM 0 HG2 GLU A 457 5.084 -4.588 12.490 1.00 0.00 H new ATOM 0 HG3 GLU A 457 4.516 -6.038 13.293 1.00 0.00 H new ATOM 814 N ASP A 458 6.452 -7.966 9.087 1.00 0.00 N ATOM 815 CA ASP A 458 7.345 -8.389 8.015 1.00 0.00 C ATOM 816 C ASP A 458 6.773 -8.014 6.651 1.00 0.00 C ATOM 817 O ASP A 458 7.426 -7.338 5.857 1.00 0.00 O ATOM 818 CB ASP A 458 7.583 -9.898 8.085 1.00 0.00 C ATOM 819 CG ASP A 458 7.961 -10.488 6.740 1.00 0.00 C ATOM 820 OD1 ASP A 458 8.917 -9.980 6.117 1.00 0.00 O ATOM 821 OD2 ASP A 458 7.301 -11.457 6.311 1.00 0.00 O ATOM 0 H ASP A 458 5.991 -8.732 9.578 1.00 0.00 H new ATOM 0 HA ASP A 458 8.297 -7.873 8.144 1.00 0.00 H new ATOM 0 HB2 ASP A 458 8.375 -10.105 8.805 1.00 0.00 H new ATOM 0 HB3 ASP A 458 6.682 -10.388 8.453 1.00 0.00 H new ATOM 826 N SER A 459 5.549 -8.459 6.387 1.00 0.00 N ATOM 827 CA SER A 459 4.890 -8.175 5.117 1.00 0.00 C ATOM 828 C SER A 459 4.996 -6.693 4.769 1.00 0.00 C ATOM 829 O SER A 459 5.384 -6.332 3.658 1.00 0.00 O ATOM 830 CB SER A 459 3.419 -8.592 5.177 1.00 0.00 C ATOM 831 OG SER A 459 2.653 -7.656 5.914 1.00 0.00 O ATOM 0 H SER A 459 4.993 -9.017 7.035 1.00 0.00 H new ATOM 0 HA SER A 459 5.392 -8.750 4.339 1.00 0.00 H new ATOM 0 HB2 SER A 459 3.020 -8.677 4.166 1.00 0.00 H new ATOM 0 HB3 SER A 459 3.336 -9.577 5.636 1.00 0.00 H new ATOM 0 HG SER A 459 3.045 -7.541 6.805 1.00 0.00 H new ATOM 837 N ILE A 460 4.649 -5.841 5.728 1.00 0.00 N ATOM 838 CA ILE A 460 4.706 -4.399 5.524 1.00 0.00 C ATOM 839 C ILE A 460 5.877 -4.017 4.624 1.00 0.00 C ATOM 840 O ILE A 460 7.023 -3.957 5.070 1.00 0.00 O ATOM 841 CB ILE A 460 4.835 -3.646 6.862 1.00 0.00 C ATOM 842 CG1 ILE A 460 3.810 -4.173 7.869 1.00 0.00 C ATOM 843 CG2 ILE A 460 4.655 -2.151 6.647 1.00 0.00 C ATOM 844 CD1 ILE A 460 3.521 -3.208 8.997 1.00 0.00 C ATOM 0 H ILE A 460 4.326 -6.124 6.653 1.00 0.00 H new ATOM 0 HA ILE A 460 3.771 -4.111 5.043 1.00 0.00 H new ATOM 0 HB ILE A 460 5.833 -3.818 7.265 1.00 0.00 H new ATOM 0 HG12 ILE A 460 2.880 -4.397 7.346 1.00 0.00 H new ATOM 0 HG13 ILE A 460 4.174 -5.111 8.288 1.00 0.00 H new ATOM 0 HG21 ILE A 460 4.749 -1.632 7.601 1.00 0.00 H new ATOM 0 HG22 ILE A 460 5.419 -1.788 5.960 1.00 0.00 H new ATOM 0 HG23 ILE A 460 3.668 -1.960 6.226 1.00 0.00 H new ATOM 0 HD11 ILE A 460 2.786 -3.647 9.672 1.00 0.00 H new ATOM 0 HD12 ILE A 460 4.441 -3.003 9.545 1.00 0.00 H new ATOM 0 HD13 ILE A 460 3.127 -2.278 8.588 1.00 0.00 H new ATOM 856 N TYR A 461 5.580 -3.757 3.356 1.00 0.00 N ATOM 857 CA TYR A 461 6.608 -3.381 2.392 1.00 0.00 C ATOM 858 C TYR A 461 6.385 -1.959 1.886 1.00 0.00 C ATOM 859 O TYR A 461 5.278 -1.598 1.485 1.00 0.00 O ATOM 860 CB TYR A 461 6.615 -4.358 1.215 1.00 0.00 C ATOM 861 CG TYR A 461 7.829 -4.223 0.324 1.00 0.00 C ATOM 862 CD1 TYR A 461 8.072 -3.050 -0.380 1.00 0.00 C ATOM 863 CD2 TYR A 461 8.734 -5.269 0.186 1.00 0.00 C ATOM 864 CE1 TYR A 461 9.179 -2.923 -1.196 1.00 0.00 C ATOM 865 CE2 TYR A 461 9.845 -5.150 -0.626 1.00 0.00 C ATOM 866 CZ TYR A 461 10.062 -3.975 -1.316 1.00 0.00 C ATOM 867 OH TYR A 461 11.167 -3.852 -2.127 1.00 0.00 O ATOM 0 H TYR A 461 4.636 -3.800 2.971 1.00 0.00 H new ATOM 0 HA TYR A 461 7.574 -3.422 2.895 1.00 0.00 H new ATOM 0 HB2 TYR A 461 6.568 -5.377 1.599 1.00 0.00 H new ATOM 0 HB3 TYR A 461 5.717 -4.201 0.618 1.00 0.00 H new ATOM 0 HD1 TYR A 461 7.383 -2.223 -0.288 1.00 0.00 H new ATOM 0 HD2 TYR A 461 8.566 -6.191 0.723 1.00 0.00 H new ATOM 0 HE1 TYR A 461 9.352 -2.005 -1.737 1.00 0.00 H new ATOM 0 HE2 TYR A 461 10.540 -5.972 -0.720 1.00 0.00 H new ATOM 0 HH TYR A 461 11.687 -4.682 -2.099 1.00 0.00 H new ATOM 877 N ILE A 462 7.445 -1.158 1.907 1.00 0.00 N ATOM 878 CA ILE A 462 7.367 0.223 1.448 1.00 0.00 C ATOM 879 C ILE A 462 8.418 0.509 0.382 1.00 0.00 C ATOM 880 O ILE A 462 9.598 0.207 0.562 1.00 0.00 O ATOM 881 CB ILE A 462 7.550 1.214 2.613 1.00 0.00 C ATOM 882 CG1 ILE A 462 6.430 1.041 3.640 1.00 0.00 C ATOM 883 CG2 ILE A 462 7.583 2.643 2.092 1.00 0.00 C ATOM 884 CD1 ILE A 462 6.835 1.424 5.046 1.00 0.00 C ATOM 0 H ILE A 462 8.368 -1.442 2.237 1.00 0.00 H new ATOM 0 HA ILE A 462 6.374 0.357 1.020 1.00 0.00 H new ATOM 0 HB ILE A 462 8.501 1.004 3.103 1.00 0.00 H new ATOM 0 HG12 ILE A 462 5.575 1.647 3.339 1.00 0.00 H new ATOM 0 HG13 ILE A 462 6.101 0.002 3.636 1.00 0.00 H new ATOM 0 HG21 ILE A 462 7.713 3.332 2.927 1.00 0.00 H new ATOM 0 HG22 ILE A 462 8.413 2.757 1.395 1.00 0.00 H new ATOM 0 HG23 ILE A 462 6.647 2.865 1.580 1.00 0.00 H new ATOM 0 HD11 ILE A 462 5.992 1.276 5.721 1.00 0.00 H new ATOM 0 HD12 ILE A 462 7.670 0.801 5.367 1.00 0.00 H new ATOM 0 HD13 ILE A 462 7.136 2.472 5.065 1.00 0.00 H new ATOM 896 N ALA A 463 7.983 1.095 -0.729 1.00 0.00 N ATOM 897 CA ALA A 463 8.888 1.425 -1.823 1.00 0.00 C ATOM 898 C ALA A 463 9.596 2.752 -1.569 1.00 0.00 C ATOM 899 O ALA A 463 8.966 3.740 -1.191 1.00 0.00 O ATOM 900 CB ALA A 463 8.127 1.475 -3.140 1.00 0.00 C ATOM 0 H ALA A 463 7.010 1.351 -0.895 1.00 0.00 H new ATOM 0 HA ALA A 463 9.646 0.644 -1.883 1.00 0.00 H new ATOM 0 HB1 ALA A 463 8.815 1.722 -3.949 1.00 0.00 H new ATOM 0 HB2 ALA A 463 7.673 0.504 -3.335 1.00 0.00 H new ATOM 0 HB3 ALA A 463 7.348 2.235 -3.081 1.00 0.00 H new ATOM 906 N TYR A 464 10.907 2.766 -1.778 1.00 0.00 N ATOM 907 CA TYR A 464 11.701 3.971 -1.568 1.00 0.00 C ATOM 908 C TYR A 464 12.557 4.280 -2.793 1.00 0.00 C ATOM 909 O TYR A 464 13.301 3.427 -3.275 1.00 0.00 O ATOM 910 CB TYR A 464 12.593 3.811 -0.336 1.00 0.00 C ATOM 911 CG TYR A 464 11.822 3.595 0.946 1.00 0.00 C ATOM 912 CD1 TYR A 464 11.483 2.316 1.370 1.00 0.00 C ATOM 913 CD2 TYR A 464 11.433 4.671 1.735 1.00 0.00 C ATOM 914 CE1 TYR A 464 10.778 2.114 2.540 1.00 0.00 C ATOM 915 CE2 TYR A 464 10.728 4.478 2.908 1.00 0.00 C ATOM 916 CZ TYR A 464 10.403 3.198 3.306 1.00 0.00 C ATOM 917 OH TYR A 464 9.701 3.001 4.473 1.00 0.00 O ATOM 0 H TYR A 464 11.443 1.957 -2.093 1.00 0.00 H new ATOM 0 HA TYR A 464 11.016 4.803 -1.407 1.00 0.00 H new ATOM 0 HB2 TYR A 464 13.266 2.968 -0.492 1.00 0.00 H new ATOM 0 HB3 TYR A 464 13.215 4.700 -0.231 1.00 0.00 H new ATOM 0 HD1 TYR A 464 11.776 1.465 0.774 1.00 0.00 H new ATOM 0 HD2 TYR A 464 11.686 5.675 1.426 1.00 0.00 H new ATOM 0 HE1 TYR A 464 10.522 1.113 2.854 1.00 0.00 H new ATOM 0 HE2 TYR A 464 10.433 5.325 3.510 1.00 0.00 H new ATOM 0 HH TYR A 464 9.516 3.867 4.893 1.00 0.00 H new ATOM 927 N GLY A 465 12.445 5.508 -3.291 1.00 0.00 N ATOM 928 CA GLY A 465 13.213 5.909 -4.454 1.00 0.00 C ATOM 929 C GLY A 465 14.704 5.713 -4.261 1.00 0.00 C ATOM 930 O GLY A 465 15.175 5.416 -3.163 1.00 0.00 O ATOM 0 H GLY A 465 11.836 6.232 -2.909 1.00 0.00 H new ATOM 0 HA2 GLY A 465 12.883 5.334 -5.319 1.00 0.00 H new ATOM 0 HA3 GLY A 465 13.013 6.958 -4.673 1.00 0.00 H new ATOM 934 N PRO A 466 15.473 5.878 -5.348 1.00 0.00 N ATOM 935 CA PRO A 466 16.930 5.720 -5.318 1.00 0.00 C ATOM 936 C PRO A 466 17.618 6.837 -4.541 1.00 0.00 C ATOM 937 O PRO A 466 18.760 6.691 -4.107 1.00 0.00 O ATOM 938 CB PRO A 466 17.323 5.776 -6.796 1.00 0.00 C ATOM 939 CG PRO A 466 16.235 6.557 -7.448 1.00 0.00 C ATOM 940 CD PRO A 466 14.978 6.231 -6.689 1.00 0.00 C ATOM 0 HA PRO A 466 17.230 4.799 -4.818 1.00 0.00 H new ATOM 0 HB2 PRO A 466 18.291 6.258 -6.930 1.00 0.00 H new ATOM 0 HB3 PRO A 466 17.403 4.776 -7.223 1.00 0.00 H new ATOM 0 HG2 PRO A 466 16.446 7.626 -7.412 1.00 0.00 H new ATOM 0 HG3 PRO A 466 16.137 6.287 -8.499 1.00 0.00 H new ATOM 0 HD2 PRO A 466 14.297 7.081 -6.655 1.00 0.00 H new ATOM 0 HD3 PRO A 466 14.434 5.405 -7.147 1.00 0.00 H new ATOM 948 N ASN A 467 16.915 7.952 -4.370 1.00 0.00 N ATOM 949 CA ASN A 467 17.460 9.095 -3.645 1.00 0.00 C ATOM 950 C ASN A 467 17.260 8.930 -2.142 1.00 0.00 C ATOM 951 O ASN A 467 17.444 9.874 -1.373 1.00 0.00 O ATOM 952 CB ASN A 467 16.797 10.389 -4.120 1.00 0.00 C ATOM 953 CG ASN A 467 16.607 10.423 -5.624 1.00 0.00 C ATOM 954 OD1 ASN A 467 15.480 10.473 -6.118 1.00 0.00 O ATOM 955 ND2 ASN A 467 17.712 10.396 -6.361 1.00 0.00 N ATOM 0 H ASN A 467 15.968 8.089 -4.723 1.00 0.00 H new ATOM 0 HA ASN A 467 18.530 9.147 -3.848 1.00 0.00 H new ATOM 0 HB2 ASN A 467 15.829 10.498 -3.632 1.00 0.00 H new ATOM 0 HB3 ASN A 467 17.406 11.240 -3.814 1.00 0.00 H new ATOM 0 HD21 ASN A 467 17.647 10.417 -7.379 1.00 0.00 H new ATOM 0 HD22 ASN A 467 18.626 10.355 -5.909 1.00 0.00 H new ATOM 962 N GLY A 468 16.883 7.724 -1.728 1.00 0.00 N ATOM 963 CA GLY A 468 16.665 7.457 -0.319 1.00 0.00 C ATOM 964 C GLY A 468 15.425 8.145 0.217 1.00 0.00 C ATOM 965 O GLY A 468 15.366 8.510 1.391 1.00 0.00 O ATOM 0 H GLY A 468 16.725 6.927 -2.344 1.00 0.00 H new ATOM 0 HA2 GLY A 468 16.575 6.382 -0.166 1.00 0.00 H new ATOM 0 HA3 GLY A 468 17.534 7.788 0.249 1.00 0.00 H new ATOM 969 N LYS A 469 14.431 8.325 -0.646 1.00 0.00 N ATOM 970 CA LYS A 469 13.185 8.974 -0.255 1.00 0.00 C ATOM 971 C LYS A 469 11.984 8.100 -0.600 1.00 0.00 C ATOM 972 O LYS A 469 11.842 7.643 -1.734 1.00 0.00 O ATOM 973 CB LYS A 469 13.055 10.333 -0.947 1.00 0.00 C ATOM 974 CG LYS A 469 13.996 11.390 -0.394 1.00 0.00 C ATOM 975 CD LYS A 469 13.528 11.900 0.958 1.00 0.00 C ATOM 976 CE LYS A 469 14.356 13.089 1.421 1.00 0.00 C ATOM 977 NZ LYS A 469 14.064 14.313 0.624 1.00 0.00 N ATOM 0 H LYS A 469 14.464 8.030 -1.622 1.00 0.00 H new ATOM 0 HA LYS A 469 13.206 9.123 0.825 1.00 0.00 H new ATOM 0 HB2 LYS A 469 13.248 10.209 -2.013 1.00 0.00 H new ATOM 0 HB3 LYS A 469 12.028 10.685 -0.848 1.00 0.00 H new ATOM 0 HG2 LYS A 469 14.998 10.972 -0.299 1.00 0.00 H new ATOM 0 HG3 LYS A 469 14.062 12.222 -1.095 1.00 0.00 H new ATOM 0 HD2 LYS A 469 12.478 12.188 0.896 1.00 0.00 H new ATOM 0 HD3 LYS A 469 13.596 11.099 1.694 1.00 0.00 H new ATOM 0 HE2 LYS A 469 14.153 13.285 2.474 1.00 0.00 H new ATOM 0 HE3 LYS A 469 15.416 12.847 1.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 469 14.487 15.140 1.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 469 14.466 14.210 -0.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 469 13.035 14.444 0.554 1.00 0.00 H new ATOM 991 N ALA A 470 11.122 7.871 0.385 1.00 0.00 N ATOM 992 CA ALA A 470 9.931 7.054 0.185 1.00 0.00 C ATOM 993 C ALA A 470 9.126 7.542 -1.015 1.00 0.00 C ATOM 994 O ALA A 470 8.584 8.648 -1.004 1.00 0.00 O ATOM 995 CB ALA A 470 9.070 7.060 1.439 1.00 0.00 C ATOM 0 H ALA A 470 11.226 8.240 1.330 1.00 0.00 H new ATOM 0 HA ALA A 470 10.251 6.032 -0.017 1.00 0.00 H new ATOM 0 HB1 ALA A 470 8.184 6.446 1.275 1.00 0.00 H new ATOM 0 HB2 ALA A 470 9.642 6.657 2.275 1.00 0.00 H new ATOM 0 HB3 ALA A 470 8.766 8.082 1.667 1.00 0.00 H new ATOM 1001 N THR A 471 9.053 6.712 -2.050 1.00 0.00 N ATOM 1002 CA THR A 471 8.316 7.060 -3.259 1.00 0.00 C ATOM 1003 C THR A 471 6.860 7.379 -2.941 1.00 0.00 C ATOM 1004 O THR A 471 6.196 8.100 -3.685 1.00 0.00 O ATOM 1005 CB THR A 471 8.367 5.921 -4.295 1.00 0.00 C ATOM 1006 OG1 THR A 471 7.456 4.880 -3.923 1.00 0.00 O ATOM 1007 CG2 THR A 471 9.774 5.354 -4.408 1.00 0.00 C ATOM 0 H THR A 471 9.495 5.793 -2.076 1.00 0.00 H new ATOM 0 HA THR A 471 8.795 7.944 -3.679 1.00 0.00 H new ATOM 0 HB THR A 471 8.078 6.328 -5.264 1.00 0.00 H new ATOM 0 HG1 THR A 471 7.770 4.449 -3.101 1.00 0.00 H new ATOM 0 HG21 THR A 471 9.785 4.551 -5.145 1.00 0.00 H new ATOM 0 HG22 THR A 471 10.460 6.142 -4.719 1.00 0.00 H new ATOM 0 HG23 THR A 471 10.087 4.962 -3.440 1.00 0.00 H new ATOM 1015 N GLY A 472 6.368 6.837 -1.831 1.00 0.00 N ATOM 1016 CA GLY A 472 4.992 7.076 -1.435 1.00 0.00 C ATOM 1017 C GLY A 472 4.094 5.887 -1.712 1.00 0.00 C ATOM 1018 O GLY A 472 2.874 6.029 -1.792 1.00 0.00 O ATOM 0 H GLY A 472 6.898 6.237 -1.199 1.00 0.00 H new ATOM 0 HA2 GLY A 472 4.959 7.312 -0.371 1.00 0.00 H new ATOM 0 HA3 GLY A 472 4.610 7.947 -1.967 1.00 0.00 H new ATOM 1022 N GLU A 473 4.698 4.712 -1.859 1.00 0.00 N ATOM 1023 CA GLU A 473 3.944 3.494 -2.131 1.00 0.00 C ATOM 1024 C GLU A 473 4.255 2.418 -1.095 1.00 0.00 C ATOM 1025 O GLU A 473 5.418 2.138 -0.805 1.00 0.00 O ATOM 1026 CB GLU A 473 4.261 2.974 -3.534 1.00 0.00 C ATOM 1027 CG GLU A 473 3.855 3.929 -4.644 1.00 0.00 C ATOM 1028 CD GLU A 473 4.422 3.531 -5.993 1.00 0.00 C ATOM 1029 OE1 GLU A 473 4.285 2.348 -6.369 1.00 0.00 O ATOM 1030 OE2 GLU A 473 5.003 4.403 -6.672 1.00 0.00 O ATOM 0 H GLU A 473 5.707 4.578 -1.794 1.00 0.00 H new ATOM 0 HA GLU A 473 2.882 3.734 -2.072 1.00 0.00 H new ATOM 0 HB2 GLU A 473 5.331 2.780 -3.607 1.00 0.00 H new ATOM 0 HB3 GLU A 473 3.753 2.021 -3.682 1.00 0.00 H new ATOM 0 HG2 GLU A 473 2.767 3.965 -4.708 1.00 0.00 H new ATOM 0 HG3 GLU A 473 4.193 4.935 -4.394 1.00 0.00 H new ATOM 1037 N GLY A 474 3.207 1.819 -0.538 1.00 0.00 N ATOM 1038 CA GLY A 474 3.389 0.781 0.460 1.00 0.00 C ATOM 1039 C GLY A 474 2.378 -0.339 0.322 1.00 0.00 C ATOM 1040 O GLY A 474 1.384 -0.204 -0.392 1.00 0.00 O ATOM 0 H GLY A 474 2.235 2.034 -0.760 1.00 0.00 H new ATOM 0 HA2 GLY A 474 4.395 0.371 0.374 1.00 0.00 H new ATOM 0 HA3 GLY A 474 3.308 1.219 1.455 1.00 0.00 H new ATOM 1044 N PHE A 475 2.631 -1.450 1.006 1.00 0.00 N ATOM 1045 CA PHE A 475 1.736 -2.600 0.955 1.00 0.00 C ATOM 1046 C PHE A 475 1.674 -3.302 2.308 1.00 0.00 C ATOM 1047 O PHE A 475 2.675 -3.394 3.019 1.00 0.00 O ATOM 1048 CB PHE A 475 2.197 -3.585 -0.122 1.00 0.00 C ATOM 1049 CG PHE A 475 2.516 -2.930 -1.436 1.00 0.00 C ATOM 1050 CD1 PHE A 475 1.515 -2.680 -2.361 1.00 0.00 C ATOM 1051 CD2 PHE A 475 3.815 -2.563 -1.745 1.00 0.00 C ATOM 1052 CE1 PHE A 475 1.805 -2.079 -3.571 1.00 0.00 C ATOM 1053 CE2 PHE A 475 4.112 -1.961 -2.954 1.00 0.00 C ATOM 1054 CZ PHE A 475 3.105 -1.717 -3.867 1.00 0.00 C ATOM 0 H PHE A 475 3.449 -1.578 1.602 1.00 0.00 H new ATOM 0 HA PHE A 475 0.738 -2.240 0.706 1.00 0.00 H new ATOM 0 HB2 PHE A 475 3.080 -4.114 0.235 1.00 0.00 H new ATOM 0 HB3 PHE A 475 1.419 -4.332 -0.277 1.00 0.00 H new ATOM 0 HD1 PHE A 475 0.496 -2.958 -2.134 1.00 0.00 H new ATOM 0 HD2 PHE A 475 4.606 -2.749 -1.033 1.00 0.00 H new ATOM 0 HE1 PHE A 475 1.016 -1.892 -4.285 1.00 0.00 H new ATOM 0 HE2 PHE A 475 5.130 -1.682 -3.184 1.00 0.00 H new ATOM 0 HZ PHE A 475 3.333 -1.244 -4.811 1.00 0.00 H new ATOM 1064 N VAL A 476 0.491 -3.796 2.659 1.00 0.00 N ATOM 1065 CA VAL A 476 0.297 -4.490 3.926 1.00 0.00 C ATOM 1066 C VAL A 476 -0.570 -5.731 3.746 1.00 0.00 C ATOM 1067 O VAL A 476 -1.593 -5.691 3.064 1.00 0.00 O ATOM 1068 CB VAL A 476 -0.354 -3.570 4.976 1.00 0.00 C ATOM 1069 CG1 VAL A 476 -0.937 -4.391 6.117 1.00 0.00 C ATOM 1070 CG2 VAL A 476 0.655 -2.559 5.497 1.00 0.00 C ATOM 0 H VAL A 476 -0.348 -3.728 2.083 1.00 0.00 H new ATOM 0 HA VAL A 476 1.285 -4.788 4.278 1.00 0.00 H new ATOM 0 HB VAL A 476 -1.168 -3.024 4.500 1.00 0.00 H new ATOM 0 HG11 VAL A 476 -1.393 -3.724 6.849 1.00 0.00 H new ATOM 0 HG12 VAL A 476 -1.693 -5.072 5.726 1.00 0.00 H new ATOM 0 HG13 VAL A 476 -0.143 -4.966 6.594 1.00 0.00 H new ATOM 0 HG21 VAL A 476 0.178 -1.917 6.238 1.00 0.00 H new ATOM 0 HG22 VAL A 476 1.492 -3.084 5.957 1.00 0.00 H new ATOM 0 HG23 VAL A 476 1.020 -1.950 4.670 1.00 0.00 H new ATOM 1080 N GLU A 477 -0.152 -6.832 4.363 1.00 0.00 N ATOM 1081 CA GLU A 477 -0.892 -8.086 4.270 1.00 0.00 C ATOM 1082 C GLU A 477 -1.541 -8.435 5.606 1.00 0.00 C ATOM 1083 O GLU A 477 -0.854 -8.664 6.602 1.00 0.00 O ATOM 1084 CB GLU A 477 0.037 -9.220 3.830 1.00 0.00 C ATOM 1085 CG GLU A 477 -0.561 -10.604 4.019 1.00 0.00 C ATOM 1086 CD GLU A 477 0.413 -11.713 3.668 1.00 0.00 C ATOM 1087 OE1 GLU A 477 1.498 -11.764 4.283 1.00 0.00 O ATOM 1088 OE2 GLU A 477 0.089 -12.528 2.780 1.00 0.00 O ATOM 0 H GLU A 477 0.693 -6.881 4.932 1.00 0.00 H new ATOM 0 HA GLU A 477 -1.678 -7.960 3.526 1.00 0.00 H new ATOM 0 HB2 GLU A 477 0.291 -9.083 2.779 1.00 0.00 H new ATOM 0 HB3 GLU A 477 0.968 -9.155 4.394 1.00 0.00 H new ATOM 0 HG2 GLU A 477 -0.880 -10.720 5.055 1.00 0.00 H new ATOM 0 HG3 GLU A 477 -1.452 -10.698 3.399 1.00 0.00 H new ATOM 1095 N PHE A 478 -2.869 -8.473 5.619 1.00 0.00 N ATOM 1096 CA PHE A 478 -3.613 -8.792 6.833 1.00 0.00 C ATOM 1097 C PHE A 478 -3.786 -10.301 6.983 1.00 0.00 C ATOM 1098 O PHE A 478 -4.475 -10.940 6.188 1.00 0.00 O ATOM 1099 CB PHE A 478 -4.982 -8.110 6.811 1.00 0.00 C ATOM 1100 CG PHE A 478 -4.905 -6.611 6.766 1.00 0.00 C ATOM 1101 CD1 PHE A 478 -4.478 -5.893 7.872 1.00 0.00 C ATOM 1102 CD2 PHE A 478 -5.257 -5.920 5.618 1.00 0.00 C ATOM 1103 CE1 PHE A 478 -4.406 -4.513 7.833 1.00 0.00 C ATOM 1104 CE2 PHE A 478 -5.187 -4.540 5.573 1.00 0.00 C ATOM 1105 CZ PHE A 478 -4.760 -3.836 6.682 1.00 0.00 C ATOM 0 H PHE A 478 -3.452 -8.287 4.803 1.00 0.00 H new ATOM 0 HA PHE A 478 -3.044 -8.422 7.686 1.00 0.00 H new ATOM 0 HB2 PHE A 478 -5.541 -8.463 5.944 1.00 0.00 H new ATOM 0 HB3 PHE A 478 -5.543 -8.410 7.696 1.00 0.00 H new ATOM 0 HD1 PHE A 478 -4.199 -6.417 8.774 1.00 0.00 H new ATOM 0 HD2 PHE A 478 -5.590 -6.466 4.748 1.00 0.00 H new ATOM 0 HE1 PHE A 478 -4.073 -3.965 8.702 1.00 0.00 H new ATOM 0 HE2 PHE A 478 -5.466 -4.013 4.672 1.00 0.00 H new ATOM 0 HZ PHE A 478 -4.703 -2.758 6.649 1.00 0.00 H new ATOM 1115 N ARG A 479 -3.155 -10.863 8.009 1.00 0.00 N ATOM 1116 CA ARG A 479 -3.237 -12.297 8.263 1.00 0.00 C ATOM 1117 C ARG A 479 -4.672 -12.794 8.111 1.00 0.00 C ATOM 1118 O ARG A 479 -4.966 -13.612 7.241 1.00 0.00 O ATOM 1119 CB ARG A 479 -2.721 -12.617 9.667 1.00 0.00 C ATOM 1120 CG ARG A 479 -1.228 -12.899 9.717 1.00 0.00 C ATOM 1121 CD ARG A 479 -0.934 -14.380 9.538 1.00 0.00 C ATOM 1122 NE ARG A 479 -0.739 -14.733 8.134 1.00 0.00 N ATOM 1123 CZ ARG A 479 -1.732 -15.053 7.312 1.00 0.00 C ATOM 1124 NH1 ARG A 479 -2.983 -15.064 7.751 1.00 0.00 N ATOM 1125 NH2 ARG A 479 -1.475 -15.363 6.048 1.00 0.00 N ATOM 0 H ARG A 479 -2.582 -10.348 8.677 1.00 0.00 H new ATOM 0 HA ARG A 479 -2.614 -12.808 7.529 1.00 0.00 H new ATOM 0 HB2 ARG A 479 -2.946 -11.780 10.327 1.00 0.00 H new ATOM 0 HB3 ARG A 479 -3.259 -13.482 10.054 1.00 0.00 H new ATOM 0 HG2 ARG A 479 -0.723 -12.330 8.937 1.00 0.00 H new ATOM 0 HG3 ARG A 479 -0.824 -12.560 10.671 1.00 0.00 H new ATOM 0 HD2 ARG A 479 -0.042 -14.644 10.106 1.00 0.00 H new ATOM 0 HD3 ARG A 479 -1.757 -14.965 9.948 1.00 0.00 H new ATOM 0 HE ARG A 479 0.212 -14.734 7.765 1.00 0.00 H new ATOM 0 HH11 ARG A 479 -3.185 -14.826 8.722 1.00 0.00 H new ATOM 0 HH12 ARG A 479 -3.744 -15.310 7.118 1.00 0.00 H new ATOM 0 HH21 ARG A 479 -0.514 -15.356 5.706 1.00 0.00 H new ATOM 0 HH22 ARG A 479 -2.238 -15.609 5.418 1.00 0.00 H new ATOM 1139 N ASN A 480 -5.559 -12.296 8.966 1.00 0.00 N ATOM 1140 CA ASN A 480 -6.963 -12.690 8.927 1.00 0.00 C ATOM 1141 C ASN A 480 -7.697 -11.980 7.794 1.00 0.00 C ATOM 1142 O ASN A 480 -7.187 -11.021 7.217 1.00 0.00 O ATOM 1143 CB ASN A 480 -7.639 -12.377 10.264 1.00 0.00 C ATOM 1144 CG ASN A 480 -6.949 -13.053 11.433 1.00 0.00 C ATOM 1145 OD1 ASN A 480 -6.857 -14.279 11.490 1.00 0.00 O ATOM 1146 ND2 ASN A 480 -6.460 -12.253 12.374 1.00 0.00 N ATOM 0 H ASN A 480 -5.331 -11.619 9.694 1.00 0.00 H new ATOM 0 HA ASN A 480 -7.008 -13.764 8.747 1.00 0.00 H new ATOM 0 HB2 ASN A 480 -7.643 -11.299 10.422 1.00 0.00 H new ATOM 0 HB3 ASN A 480 -8.680 -12.697 10.225 1.00 0.00 H new ATOM 0 HD21 ASN A 480 -5.985 -12.650 13.185 1.00 0.00 H new ATOM 0 HD22 ASN A 480 -6.559 -11.242 12.286 1.00 0.00 H new ATOM 1153 N GLU A 481 -8.898 -12.458 7.483 1.00 0.00 N ATOM 1154 CA GLU A 481 -9.702 -11.868 6.419 1.00 0.00 C ATOM 1155 C GLU A 481 -10.747 -10.915 6.991 1.00 0.00 C ATOM 1156 O GLU A 481 -11.091 -9.909 6.371 1.00 0.00 O ATOM 1157 CB GLU A 481 -10.388 -12.964 5.601 1.00 0.00 C ATOM 1158 CG GLU A 481 -11.144 -12.438 4.392 1.00 0.00 C ATOM 1159 CD GLU A 481 -11.993 -13.503 3.726 1.00 0.00 C ATOM 1160 OE1 GLU A 481 -12.695 -14.240 4.451 1.00 0.00 O ATOM 1161 OE2 GLU A 481 -11.956 -13.601 2.482 1.00 0.00 O ATOM 0 H GLU A 481 -9.335 -13.251 7.952 1.00 0.00 H new ATOM 0 HA GLU A 481 -9.037 -11.301 5.768 1.00 0.00 H new ATOM 0 HB2 GLU A 481 -9.637 -13.680 5.266 1.00 0.00 H new ATOM 0 HB3 GLU A 481 -11.081 -13.506 6.245 1.00 0.00 H new ATOM 0 HG2 GLU A 481 -11.782 -11.610 4.700 1.00 0.00 H new ATOM 0 HG3 GLU A 481 -10.433 -12.041 3.668 1.00 0.00 H new ATOM 1168 N ALA A 482 -11.249 -11.241 8.178 1.00 0.00 N ATOM 1169 CA ALA A 482 -12.253 -10.414 8.835 1.00 0.00 C ATOM 1170 C ALA A 482 -11.761 -8.981 9.003 1.00 0.00 C ATOM 1171 O ALA A 482 -12.530 -8.030 8.866 1.00 0.00 O ATOM 1172 CB ALA A 482 -12.624 -11.008 10.186 1.00 0.00 C ATOM 0 H ALA A 482 -10.977 -12.072 8.704 1.00 0.00 H new ATOM 0 HA ALA A 482 -13.141 -10.393 8.203 1.00 0.00 H new ATOM 0 HB1 ALA A 482 -13.375 -10.380 10.666 1.00 0.00 H new ATOM 0 HB2 ALA A 482 -13.027 -12.011 10.044 1.00 0.00 H new ATOM 0 HB3 ALA A 482 -11.737 -11.059 10.817 1.00 0.00 H new ATOM 1178 N ASP A 483 -10.475 -8.834 9.302 1.00 0.00 N ATOM 1179 CA ASP A 483 -9.879 -7.516 9.489 1.00 0.00 C ATOM 1180 C ASP A 483 -9.610 -6.846 8.145 1.00 0.00 C ATOM 1181 O ASP A 483 -9.821 -5.643 7.986 1.00 0.00 O ATOM 1182 CB ASP A 483 -8.579 -7.628 10.286 1.00 0.00 C ATOM 1183 CG ASP A 483 -7.542 -8.483 9.585 1.00 0.00 C ATOM 1184 OD1 ASP A 483 -7.937 -9.420 8.859 1.00 0.00 O ATOM 1185 OD2 ASP A 483 -6.335 -8.214 9.760 1.00 0.00 O ATOM 0 H ASP A 483 -9.825 -9.611 9.420 1.00 0.00 H new ATOM 0 HA ASP A 483 -10.585 -6.901 10.047 1.00 0.00 H new ATOM 0 HB2 ASP A 483 -8.171 -6.631 10.452 1.00 0.00 H new ATOM 0 HB3 ASP A 483 -8.793 -8.053 11.267 1.00 0.00 H new ATOM 1190 N TYR A 484 -9.142 -7.631 7.182 1.00 0.00 N ATOM 1191 CA TYR A 484 -8.841 -7.114 5.852 1.00 0.00 C ATOM 1192 C TYR A 484 -9.998 -6.275 5.318 1.00 0.00 C ATOM 1193 O TYR A 484 -9.806 -5.149 4.861 1.00 0.00 O ATOM 1194 CB TYR A 484 -8.543 -8.265 4.889 1.00 0.00 C ATOM 1195 CG TYR A 484 -8.865 -7.946 3.447 1.00 0.00 C ATOM 1196 CD1 TYR A 484 -7.933 -7.321 2.628 1.00 0.00 C ATOM 1197 CD2 TYR A 484 -10.102 -8.269 2.903 1.00 0.00 C ATOM 1198 CE1 TYR A 484 -8.223 -7.027 1.310 1.00 0.00 C ATOM 1199 CE2 TYR A 484 -10.401 -7.981 1.585 1.00 0.00 C ATOM 1200 CZ TYR A 484 -9.458 -7.359 0.793 1.00 0.00 C ATOM 1201 OH TYR A 484 -9.750 -7.069 -0.520 1.00 0.00 O ATOM 0 H TYR A 484 -8.963 -8.628 7.297 1.00 0.00 H new ATOM 0 HA TYR A 484 -7.960 -6.477 5.929 1.00 0.00 H new ATOM 0 HB2 TYR A 484 -7.488 -8.529 4.967 1.00 0.00 H new ATOM 0 HB3 TYR A 484 -9.115 -9.141 5.195 1.00 0.00 H new ATOM 0 HD1 TYR A 484 -6.965 -7.060 3.029 1.00 0.00 H new ATOM 0 HD2 TYR A 484 -10.843 -8.754 3.521 1.00 0.00 H new ATOM 0 HE1 TYR A 484 -7.487 -6.540 0.688 1.00 0.00 H new ATOM 0 HE2 TYR A 484 -11.367 -8.241 1.177 1.00 0.00 H new ATOM 0 HH TYR A 484 -10.660 -7.369 -0.727 1.00 0.00 H new ATOM 1211 N LYS A 485 -11.202 -6.833 5.381 1.00 0.00 N ATOM 1212 CA LYS A 485 -12.393 -6.139 4.907 1.00 0.00 C ATOM 1213 C LYS A 485 -12.543 -4.785 5.592 1.00 0.00 C ATOM 1214 O LYS A 485 -12.830 -3.779 4.944 1.00 0.00 O ATOM 1215 CB LYS A 485 -13.640 -6.991 5.159 1.00 0.00 C ATOM 1216 CG LYS A 485 -13.540 -8.397 4.594 1.00 0.00 C ATOM 1217 CD LYS A 485 -14.867 -9.131 4.687 1.00 0.00 C ATOM 1218 CE LYS A 485 -14.792 -10.505 4.039 1.00 0.00 C ATOM 1219 NZ LYS A 485 -14.375 -11.554 5.010 1.00 0.00 N ATOM 0 H LYS A 485 -11.379 -7.765 5.756 1.00 0.00 H new ATOM 0 HA LYS A 485 -12.284 -5.974 3.835 1.00 0.00 H new ATOM 0 HB2 LYS A 485 -13.817 -7.052 6.233 1.00 0.00 H new ATOM 0 HB3 LYS A 485 -14.505 -6.493 4.721 1.00 0.00 H new ATOM 0 HG2 LYS A 485 -13.222 -8.350 3.553 1.00 0.00 H new ATOM 0 HG3 LYS A 485 -12.776 -8.954 5.136 1.00 0.00 H new ATOM 0 HD2 LYS A 485 -15.153 -9.237 5.734 1.00 0.00 H new ATOM 0 HD3 LYS A 485 -15.645 -8.541 4.202 1.00 0.00 H new ATOM 0 HE2 LYS A 485 -15.765 -10.763 3.621 1.00 0.00 H new ATOM 0 HE3 LYS A 485 -14.086 -10.477 3.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 485 -14.155 -12.433 4.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 485 -13.531 -11.234 5.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 485 -15.147 -11.730 5.684 1.00 0.00 H new ATOM 1233 N ALA A 486 -12.345 -4.767 6.906 1.00 0.00 N ATOM 1234 CA ALA A 486 -12.455 -3.535 7.678 1.00 0.00 C ATOM 1235 C ALA A 486 -11.436 -2.502 7.210 1.00 0.00 C ATOM 1236 O ALA A 486 -11.742 -1.313 7.116 1.00 0.00 O ATOM 1237 CB ALA A 486 -12.273 -3.824 9.161 1.00 0.00 C ATOM 0 H ALA A 486 -12.108 -5.591 7.458 1.00 0.00 H new ATOM 0 HA ALA A 486 -13.451 -3.123 7.519 1.00 0.00 H new ATOM 0 HB1 ALA A 486 -12.357 -2.896 9.726 1.00 0.00 H new ATOM 0 HB2 ALA A 486 -13.042 -4.522 9.493 1.00 0.00 H new ATOM 0 HB3 ALA A 486 -11.289 -4.262 9.328 1.00 0.00 H new ATOM 1243 N ALA A 487 -10.224 -2.962 6.920 1.00 0.00 N ATOM 1244 CA ALA A 487 -9.161 -2.077 6.460 1.00 0.00 C ATOM 1245 C ALA A 487 -9.650 -1.167 5.338 1.00 0.00 C ATOM 1246 O ALA A 487 -9.355 0.028 5.321 1.00 0.00 O ATOM 1247 CB ALA A 487 -7.960 -2.889 5.998 1.00 0.00 C ATOM 0 H ALA A 487 -9.953 -3.943 6.995 1.00 0.00 H new ATOM 0 HA ALA A 487 -8.860 -1.448 7.297 1.00 0.00 H new ATOM 0 HB1 ALA A 487 -7.174 -2.215 5.657 1.00 0.00 H new ATOM 0 HB2 ALA A 487 -7.587 -3.491 6.827 1.00 0.00 H new ATOM 0 HB3 ALA A 487 -8.257 -3.544 5.179 1.00 0.00 H new ATOM 1253 N LEU A 488 -10.397 -1.741 4.402 1.00 0.00 N ATOM 1254 CA LEU A 488 -10.927 -0.982 3.274 1.00 0.00 C ATOM 1255 C LEU A 488 -11.820 0.157 3.756 1.00 0.00 C ATOM 1256 O LEU A 488 -11.939 1.188 3.094 1.00 0.00 O ATOM 1257 CB LEU A 488 -11.714 -1.902 2.339 1.00 0.00 C ATOM 1258 CG LEU A 488 -10.882 -2.769 1.393 1.00 0.00 C ATOM 1259 CD1 LEU A 488 -9.791 -1.941 0.732 1.00 0.00 C ATOM 1260 CD2 LEU A 488 -10.279 -3.948 2.142 1.00 0.00 C ATOM 0 H LEU A 488 -10.650 -2.729 4.401 1.00 0.00 H new ATOM 0 HA LEU A 488 -10.086 -0.554 2.729 1.00 0.00 H new ATOM 0 HB2 LEU A 488 -12.337 -2.558 2.947 1.00 0.00 H new ATOM 0 HB3 LEU A 488 -12.387 -1.288 1.740 1.00 0.00 H new ATOM 0 HG LEU A 488 -11.538 -3.157 0.614 1.00 0.00 H new ATOM 0 HD11 LEU A 488 -9.209 -2.574 0.062 1.00 0.00 H new ATOM 0 HD12 LEU A 488 -10.245 -1.130 0.162 1.00 0.00 H new ATOM 0 HD13 LEU A 488 -9.136 -1.524 1.497 1.00 0.00 H new ATOM 0 HD21 LEU A 488 -9.690 -4.554 1.453 1.00 0.00 H new ATOM 0 HD22 LEU A 488 -9.636 -3.581 2.942 1.00 0.00 H new ATOM 0 HD23 LEU A 488 -11.078 -4.555 2.568 1.00 0.00 H new ATOM 1272 N CYS A 489 -12.443 -0.036 4.913 1.00 0.00 N ATOM 1273 CA CYS A 489 -13.325 0.975 5.485 1.00 0.00 C ATOM 1274 C CYS A 489 -12.546 2.238 5.837 1.00 0.00 C ATOM 1275 O CYS A 489 -13.132 3.292 6.087 1.00 0.00 O ATOM 1276 CB CYS A 489 -14.023 0.428 6.730 1.00 0.00 C ATOM 1277 SG CYS A 489 -15.508 1.344 7.207 1.00 0.00 S ATOM 0 H CYS A 489 -12.354 -0.883 5.474 1.00 0.00 H new ATOM 0 HA CYS A 489 -14.078 1.230 4.739 1.00 0.00 H new ATOM 0 HB2 CYS A 489 -14.292 -0.613 6.554 1.00 0.00 H new ATOM 0 HB3 CYS A 489 -13.319 0.439 7.562 1.00 0.00 H new ATOM 0 HG CYS A 489 -16.028 0.804 8.269 1.00 0.00 H new ATOM 1283 N ARG A 490 -11.222 2.125 5.857 1.00 0.00 N ATOM 1284 CA ARG A 490 -10.363 3.257 6.183 1.00 0.00 C ATOM 1285 C ARG A 490 -9.853 3.934 4.914 1.00 0.00 C ATOM 1286 O ARG A 490 -8.695 4.347 4.840 1.00 0.00 O ATOM 1287 CB ARG A 490 -9.181 2.798 7.039 1.00 0.00 C ATOM 1288 CG ARG A 490 -9.595 2.087 8.317 1.00 0.00 C ATOM 1289 CD ARG A 490 -8.558 2.267 9.415 1.00 0.00 C ATOM 1290 NE ARG A 490 -8.476 3.652 9.868 1.00 0.00 N ATOM 1291 CZ ARG A 490 -7.680 4.058 10.851 1.00 0.00 C ATOM 1292 NH1 ARG A 490 -6.901 3.189 11.480 1.00 0.00 N ATOM 1293 NH2 ARG A 490 -7.661 5.337 11.206 1.00 0.00 N ATOM 0 H ARG A 490 -10.721 1.261 5.651 1.00 0.00 H new ATOM 0 HA ARG A 490 -10.953 3.978 6.748 1.00 0.00 H new ATOM 0 HB2 ARG A 490 -8.553 2.130 6.449 1.00 0.00 H new ATOM 0 HB3 ARG A 490 -8.571 3.664 7.296 1.00 0.00 H new ATOM 0 HG2 ARG A 490 -10.556 2.474 8.655 1.00 0.00 H new ATOM 0 HG3 ARG A 490 -9.733 1.025 8.116 1.00 0.00 H new ATOM 0 HD2 ARG A 490 -8.808 1.624 10.259 1.00 0.00 H new ATOM 0 HD3 ARG A 490 -7.583 1.947 9.048 1.00 0.00 H new ATOM 0 HE ARG A 490 -9.062 4.346 9.404 1.00 0.00 H new ATOM 0 HH11 ARG A 490 -6.912 2.206 11.210 1.00 0.00 H new ATOM 0 HH12 ARG A 490 -6.291 3.504 12.234 1.00 0.00 H new ATOM 0 HH21 ARG A 490 -8.258 6.009 10.724 1.00 0.00 H new ATOM 0 HH22 ARG A 490 -7.049 5.648 11.961 1.00 0.00 H new ATOM 1307 N HIS A 491 -10.725 4.044 3.917 1.00 0.00 N ATOM 1308 CA HIS A 491 -10.363 4.672 2.651 1.00 0.00 C ATOM 1309 C HIS A 491 -10.435 6.192 2.757 1.00 0.00 C ATOM 1310 O HIS A 491 -11.096 6.732 3.645 1.00 0.00 O ATOM 1311 CB HIS A 491 -11.285 4.183 1.533 1.00 0.00 C ATOM 1312 CG HIS A 491 -11.076 4.893 0.231 1.00 0.00 C ATOM 1313 ND1 HIS A 491 -9.851 4.968 -0.398 1.00 0.00 N ATOM 1314 CD2 HIS A 491 -11.945 5.561 -0.563 1.00 0.00 C ATOM 1315 CE1 HIS A 491 -9.975 5.652 -1.520 1.00 0.00 C ATOM 1316 NE2 HIS A 491 -11.237 6.023 -1.644 1.00 0.00 N ATOM 0 H HIS A 491 -11.687 3.707 3.961 1.00 0.00 H new ATOM 0 HA HIS A 491 -9.337 4.391 2.415 1.00 0.00 H new ATOM 0 HB2 HIS A 491 -11.127 3.115 1.384 1.00 0.00 H new ATOM 0 HB3 HIS A 491 -12.321 4.312 1.845 1.00 0.00 H new ATOM 0 HD2 HIS A 491 -13.000 5.704 -0.380 1.00 0.00 H new ATOM 0 HE1 HIS A 491 -9.180 5.871 -2.218 1.00 0.00 H new ATOM 0 HE2 HIS A 491 -11.622 6.565 -2.418 1.00 0.00 H new ATOM 1325 N LYS A 492 -9.750 6.877 1.848 1.00 0.00 N ATOM 1326 CA LYS A 492 -9.737 8.335 1.838 1.00 0.00 C ATOM 1327 C LYS A 492 -9.328 8.885 3.202 1.00 0.00 C ATOM 1328 O LYS A 492 -9.982 9.776 3.742 1.00 0.00 O ATOM 1329 CB LYS A 492 -11.115 8.877 1.451 1.00 0.00 C ATOM 1330 CG LYS A 492 -11.292 9.075 -0.044 1.00 0.00 C ATOM 1331 CD LYS A 492 -12.599 9.781 -0.362 1.00 0.00 C ATOM 1332 CE LYS A 492 -13.800 8.945 0.055 1.00 0.00 C ATOM 1333 NZ LYS A 492 -15.086 9.608 -0.295 1.00 0.00 N ATOM 0 H LYS A 492 -9.196 6.446 1.108 1.00 0.00 H new ATOM 0 HA LYS A 492 -9.005 8.661 1.099 1.00 0.00 H new ATOM 0 HB2 LYS A 492 -11.881 8.190 1.811 1.00 0.00 H new ATOM 0 HB3 LYS A 492 -11.277 9.829 1.957 1.00 0.00 H new ATOM 0 HG2 LYS A 492 -10.458 9.657 -0.436 1.00 0.00 H new ATOM 0 HG3 LYS A 492 -11.269 8.107 -0.545 1.00 0.00 H new ATOM 0 HD2 LYS A 492 -12.628 10.743 0.150 1.00 0.00 H new ATOM 0 HD3 LYS A 492 -12.652 9.987 -1.431 1.00 0.00 H new ATOM 0 HE2 LYS A 492 -13.750 7.970 -0.430 1.00 0.00 H new ATOM 0 HE3 LYS A 492 -13.764 8.768 1.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 492 -15.880 9.007 0.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 492 -15.146 10.527 0.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 492 -15.133 9.754 -1.324 1.00 0.00 H new ATOM 1347 N GLN A 493 -8.243 8.347 3.750 1.00 0.00 N ATOM 1348 CA GLN A 493 -7.748 8.785 5.050 1.00 0.00 C ATOM 1349 C GLN A 493 -6.475 9.610 4.898 1.00 0.00 C ATOM 1350 O GLN A 493 -5.801 9.547 3.869 1.00 0.00 O ATOM 1351 CB GLN A 493 -7.483 7.578 5.951 1.00 0.00 C ATOM 1352 CG GLN A 493 -8.740 7.005 6.586 1.00 0.00 C ATOM 1353 CD GLN A 493 -9.505 8.033 7.397 1.00 0.00 C ATOM 1354 OE1 GLN A 493 -9.254 8.211 8.589 1.00 0.00 O ATOM 1355 NE2 GLN A 493 -10.443 8.716 6.753 1.00 0.00 N ATOM 0 H GLN A 493 -7.691 7.608 3.315 1.00 0.00 H new ATOM 0 HA GLN A 493 -8.512 9.412 5.509 1.00 0.00 H new ATOM 0 HB2 GLN A 493 -6.994 6.799 5.366 1.00 0.00 H new ATOM 0 HB3 GLN A 493 -6.788 7.869 6.739 1.00 0.00 H new ATOM 0 HG2 GLN A 493 -9.389 6.608 5.805 1.00 0.00 H new ATOM 0 HG3 GLN A 493 -8.468 6.169 7.230 1.00 0.00 H new ATOM 0 HE21 GLN A 493 -10.617 8.535 5.764 1.00 0.00 H new ATOM 0 HE22 GLN A 493 -10.990 9.422 7.247 1.00 0.00 H new ATOM 1364 N TYR A 494 -6.151 10.385 5.927 1.00 0.00 N ATOM 1365 CA TYR A 494 -4.959 11.225 5.907 1.00 0.00 C ATOM 1366 C TYR A 494 -3.954 10.770 6.960 1.00 0.00 C ATOM 1367 O TYR A 494 -4.306 10.565 8.122 1.00 0.00 O ATOM 1368 CB TYR A 494 -5.338 12.688 6.144 1.00 0.00 C ATOM 1369 CG TYR A 494 -6.056 13.325 4.976 1.00 0.00 C ATOM 1370 CD1 TYR A 494 -7.314 12.883 4.584 1.00 0.00 C ATOM 1371 CD2 TYR A 494 -5.478 14.369 4.265 1.00 0.00 C ATOM 1372 CE1 TYR A 494 -7.974 13.461 3.517 1.00 0.00 C ATOM 1373 CE2 TYR A 494 -6.131 14.954 3.197 1.00 0.00 C ATOM 1374 CZ TYR A 494 -7.379 14.496 2.827 1.00 0.00 C ATOM 1375 OH TYR A 494 -8.033 15.076 1.765 1.00 0.00 O ATOM 0 H TYR A 494 -6.697 10.449 6.786 1.00 0.00 H new ATOM 0 HA TYR A 494 -4.495 11.131 4.925 1.00 0.00 H new ATOM 0 HB2 TYR A 494 -5.973 12.751 7.028 1.00 0.00 H new ATOM 0 HB3 TYR A 494 -4.434 13.258 6.359 1.00 0.00 H new ATOM 0 HD1 TYR A 494 -7.784 12.074 5.123 1.00 0.00 H new ATOM 0 HD2 TYR A 494 -4.501 14.730 4.552 1.00 0.00 H new ATOM 0 HE1 TYR A 494 -8.951 13.104 3.225 1.00 0.00 H new ATOM 0 HE2 TYR A 494 -5.667 15.765 2.655 1.00 0.00 H new ATOM 0 HH TYR A 494 -7.477 15.791 1.389 1.00 0.00 H new ATOM 1385 N MET A 495 -2.701 10.617 6.545 1.00 0.00 N ATOM 1386 CA MET A 495 -1.643 10.188 7.453 1.00 0.00 C ATOM 1387 C MET A 495 -1.014 11.386 8.158 1.00 0.00 C ATOM 1388 O MET A 495 0.031 11.885 7.741 1.00 0.00 O ATOM 1389 CB MET A 495 -0.570 9.410 6.689 1.00 0.00 C ATOM 1390 CG MET A 495 0.325 8.570 7.586 1.00 0.00 C ATOM 1391 SD MET A 495 -0.476 7.054 8.144 1.00 0.00 S ATOM 1392 CE MET A 495 0.082 5.897 6.896 1.00 0.00 C ATOM 0 H MET A 495 -2.393 10.783 5.587 1.00 0.00 H new ATOM 0 HA MET A 495 -2.086 9.537 8.206 1.00 0.00 H new ATOM 0 HB2 MET A 495 -1.054 8.760 5.960 1.00 0.00 H new ATOM 0 HB3 MET A 495 0.047 10.112 6.129 1.00 0.00 H new ATOM 0 HG2 MET A 495 1.238 8.317 7.047 1.00 0.00 H new ATOM 0 HG3 MET A 495 0.620 9.161 8.453 1.00 0.00 H new ATOM 0 HE1 MET A 495 0.049 4.884 7.298 1.00 0.00 H new ATOM 0 HE2 MET A 495 -0.567 5.962 6.023 1.00 0.00 H new ATOM 0 HE3 MET A 495 1.105 6.139 6.607 1.00 0.00 H new ATOM 1402 N GLY A 496 -1.657 11.842 9.228 1.00 0.00 N ATOM 1403 CA GLY A 496 -1.145 12.978 9.973 1.00 0.00 C ATOM 1404 C GLY A 496 -1.348 14.290 9.242 1.00 0.00 C ATOM 1405 O GLY A 496 -2.264 15.049 9.557 1.00 0.00 O ATOM 0 H GLY A 496 -2.523 11.446 9.593 1.00 0.00 H new ATOM 0 HA2 GLY A 496 -1.640 13.026 10.943 1.00 0.00 H new ATOM 0 HA3 GLY A 496 -0.082 12.833 10.165 1.00 0.00 H new ATOM 1409 N ASN A 497 -0.491 14.559 8.262 1.00 0.00 N ATOM 1410 CA ASN A 497 -0.580 15.790 7.485 1.00 0.00 C ATOM 1411 C ASN A 497 -0.639 15.487 5.991 1.00 0.00 C ATOM 1412 O ASN A 497 -0.855 16.383 5.174 1.00 0.00 O ATOM 1413 CB ASN A 497 0.617 16.695 7.786 1.00 0.00 C ATOM 1414 CG ASN A 497 1.922 16.117 7.274 1.00 0.00 C ATOM 1415 OD1 ASN A 497 2.224 16.197 6.084 1.00 0.00 O ATOM 1416 ND2 ASN A 497 2.703 15.531 8.175 1.00 0.00 N ATOM 0 H ASN A 497 0.273 13.941 7.987 1.00 0.00 H new ATOM 0 HA ASN A 497 -1.498 16.305 7.770 1.00 0.00 H new ATOM 0 HB2 ASN A 497 0.453 17.673 7.332 1.00 0.00 H new ATOM 0 HB3 ASN A 497 0.689 16.851 8.862 1.00 0.00 H new ATOM 0 HD21 ASN A 497 3.594 15.124 7.890 1.00 0.00 H new ATOM 0 HD22 ASN A 497 2.412 15.488 9.152 1.00 0.00 H new ATOM 1423 N ARG A 498 -0.448 14.220 5.642 1.00 0.00 N ATOM 1424 CA ARG A 498 -0.479 13.798 4.247 1.00 0.00 C ATOM 1425 C ARG A 498 -1.755 13.019 3.942 1.00 0.00 C ATOM 1426 O ARG A 498 -2.579 12.786 4.827 1.00 0.00 O ATOM 1427 CB ARG A 498 0.745 12.940 3.923 1.00 0.00 C ATOM 1428 CG ARG A 498 1.962 13.748 3.502 1.00 0.00 C ATOM 1429 CD ARG A 498 1.977 13.991 2.001 1.00 0.00 C ATOM 1430 NE ARG A 498 2.529 12.856 1.268 1.00 0.00 N ATOM 1431 CZ ARG A 498 2.860 12.902 -0.018 1.00 0.00 C ATOM 1432 NH1 ARG A 498 2.697 14.022 -0.708 1.00 0.00 N ATOM 1433 NH2 ARG A 498 3.358 11.827 -0.615 1.00 0.00 N ATOM 0 H ARG A 498 -0.270 13.467 6.306 1.00 0.00 H new ATOM 0 HA ARG A 498 -0.462 14.692 3.624 1.00 0.00 H new ATOM 0 HB2 ARG A 498 1.001 12.343 4.798 1.00 0.00 H new ATOM 0 HB3 ARG A 498 0.489 12.243 3.125 1.00 0.00 H new ATOM 0 HG2 ARG A 498 1.965 14.704 4.026 1.00 0.00 H new ATOM 0 HG3 ARG A 498 2.870 13.221 3.795 1.00 0.00 H new ATOM 0 HD2 ARG A 498 0.962 14.186 1.655 1.00 0.00 H new ATOM 0 HD3 ARG A 498 2.565 14.883 1.784 1.00 0.00 H new ATOM 0 HE ARG A 498 2.668 11.979 1.771 1.00 0.00 H new ATOM 0 HH11 ARG A 498 2.317 14.851 -0.252 1.00 0.00 H new ATOM 0 HH12 ARG A 498 2.952 14.055 -1.695 1.00 0.00 H new ATOM 0 HH21 ARG A 498 3.487 10.964 -0.087 1.00 0.00 H new ATOM 0 HH22 ARG A 498 3.612 11.863 -1.602 1.00 0.00 H new ATOM 1447 N PHE A 499 -1.913 12.619 2.685 1.00 0.00 N ATOM 1448 CA PHE A 499 -3.089 11.867 2.263 1.00 0.00 C ATOM 1449 C PHE A 499 -2.685 10.592 1.529 1.00 0.00 C ATOM 1450 O PHE A 499 -1.796 10.609 0.677 1.00 0.00 O ATOM 1451 CB PHE A 499 -3.975 12.729 1.362 1.00 0.00 C ATOM 1452 CG PHE A 499 -5.137 11.982 0.772 1.00 0.00 C ATOM 1453 CD1 PHE A 499 -6.204 11.594 1.567 1.00 0.00 C ATOM 1454 CD2 PHE A 499 -5.162 11.667 -0.577 1.00 0.00 C ATOM 1455 CE1 PHE A 499 -7.274 10.906 1.027 1.00 0.00 C ATOM 1456 CE2 PHE A 499 -6.230 10.980 -1.122 1.00 0.00 C ATOM 1457 CZ PHE A 499 -7.287 10.598 -0.319 1.00 0.00 C ATOM 0 H PHE A 499 -1.241 12.803 1.940 1.00 0.00 H new ATOM 0 HA PHE A 499 -3.651 11.589 3.155 1.00 0.00 H new ATOM 0 HB2 PHE A 499 -4.352 13.574 1.938 1.00 0.00 H new ATOM 0 HB3 PHE A 499 -3.369 13.138 0.554 1.00 0.00 H new ATOM 0 HD1 PHE A 499 -6.199 11.832 2.620 1.00 0.00 H new ATOM 0 HD2 PHE A 499 -4.338 11.962 -1.210 1.00 0.00 H new ATOM 0 HE1 PHE A 499 -8.099 10.609 1.657 1.00 0.00 H new ATOM 0 HE2 PHE A 499 -6.238 10.742 -2.175 1.00 0.00 H new ATOM 0 HZ PHE A 499 -8.122 10.060 -0.743 1.00 0.00 H new ATOM 1467 N ILE A 500 -3.344 9.488 1.866 1.00 0.00 N ATOM 1468 CA ILE A 500 -3.054 8.205 1.239 1.00 0.00 C ATOM 1469 C ILE A 500 -4.326 7.555 0.705 1.00 0.00 C ATOM 1470 O ILE A 500 -5.414 7.766 1.239 1.00 0.00 O ATOM 1471 CB ILE A 500 -2.372 7.238 2.225 1.00 0.00 C ATOM 1472 CG1 ILE A 500 -0.916 7.649 2.450 1.00 0.00 C ATOM 1473 CG2 ILE A 500 -2.451 5.810 1.706 1.00 0.00 C ATOM 1474 CD1 ILE A 500 -0.764 9.009 3.094 1.00 0.00 C ATOM 0 H ILE A 500 -4.082 9.457 2.569 1.00 0.00 H new ATOM 0 HA ILE A 500 -2.375 8.405 0.410 1.00 0.00 H new ATOM 0 HB ILE A 500 -2.895 7.286 3.180 1.00 0.00 H new ATOM 0 HG12 ILE A 500 -0.429 6.902 3.078 1.00 0.00 H new ATOM 0 HG13 ILE A 500 -0.395 7.649 1.493 1.00 0.00 H new ATOM 0 HG21 ILE A 500 -1.965 5.138 2.413 1.00 0.00 H new ATOM 0 HG22 ILE A 500 -3.496 5.522 1.591 1.00 0.00 H new ATOM 0 HG23 ILE A 500 -1.949 5.745 0.741 1.00 0.00 H new ATOM 0 HD11 ILE A 500 0.295 9.234 3.223 1.00 0.00 H new ATOM 0 HD12 ILE A 500 -1.221 9.766 2.457 1.00 0.00 H new ATOM 0 HD13 ILE A 500 -1.256 9.008 4.067 1.00 0.00 H new ATOM 1486 N GLN A 501 -4.180 6.762 -0.352 1.00 0.00 N ATOM 1487 CA GLN A 501 -5.317 6.080 -0.958 1.00 0.00 C ATOM 1488 C GLN A 501 -5.295 4.591 -0.632 1.00 0.00 C ATOM 1489 O GLN A 501 -4.269 3.927 -0.777 1.00 0.00 O ATOM 1490 CB GLN A 501 -5.311 6.282 -2.475 1.00 0.00 C ATOM 1491 CG GLN A 501 -6.055 7.529 -2.925 1.00 0.00 C ATOM 1492 CD GLN A 501 -5.579 8.037 -4.272 1.00 0.00 C ATOM 1493 OE1 GLN A 501 -4.442 7.791 -4.675 1.00 0.00 O ATOM 1494 NE2 GLN A 501 -6.450 8.751 -4.976 1.00 0.00 N ATOM 0 H GLN A 501 -3.286 6.576 -0.806 1.00 0.00 H new ATOM 0 HA GLN A 501 -6.229 6.511 -0.545 1.00 0.00 H new ATOM 0 HB2 GLN A 501 -4.279 6.340 -2.822 1.00 0.00 H new ATOM 0 HB3 GLN A 501 -5.759 5.410 -2.951 1.00 0.00 H new ATOM 0 HG2 GLN A 501 -7.122 7.312 -2.979 1.00 0.00 H new ATOM 0 HG3 GLN A 501 -5.927 8.313 -2.179 1.00 0.00 H new ATOM 0 HE21 GLN A 501 -7.382 8.930 -4.603 1.00 0.00 H new ATOM 0 HE22 GLN A 501 -6.187 9.120 -5.890 1.00 0.00 H new ATOM 1503 N VAL A 502 -6.436 4.070 -0.190 1.00 0.00 N ATOM 1504 CA VAL A 502 -6.548 2.658 0.157 1.00 0.00 C ATOM 1505 C VAL A 502 -7.278 1.881 -0.933 1.00 0.00 C ATOM 1506 O VAL A 502 -8.420 2.192 -1.273 1.00 0.00 O ATOM 1507 CB VAL A 502 -7.289 2.466 1.494 1.00 0.00 C ATOM 1508 CG1 VAL A 502 -7.703 1.013 1.670 1.00 0.00 C ATOM 1509 CG2 VAL A 502 -6.421 2.926 2.655 1.00 0.00 C ATOM 0 H VAL A 502 -7.295 4.605 -0.064 1.00 0.00 H new ATOM 0 HA VAL A 502 -5.533 2.274 0.255 1.00 0.00 H new ATOM 0 HB VAL A 502 -8.191 3.077 1.481 1.00 0.00 H new ATOM 0 HG11 VAL A 502 -8.225 0.896 2.620 1.00 0.00 H new ATOM 0 HG12 VAL A 502 -8.364 0.722 0.854 1.00 0.00 H new ATOM 0 HG13 VAL A 502 -6.817 0.379 1.663 1.00 0.00 H new ATOM 0 HG21 VAL A 502 -6.960 2.783 3.591 1.00 0.00 H new ATOM 0 HG22 VAL A 502 -5.500 2.343 2.674 1.00 0.00 H new ATOM 0 HG23 VAL A 502 -6.180 3.982 2.533 1.00 0.00 H new ATOM 1519 N HIS A 503 -6.611 0.869 -1.478 1.00 0.00 N ATOM 1520 CA HIS A 503 -7.197 0.045 -2.529 1.00 0.00 C ATOM 1521 C HIS A 503 -6.895 -1.432 -2.295 1.00 0.00 C ATOM 1522 O HIS A 503 -5.779 -1.813 -1.941 1.00 0.00 O ATOM 1523 CB HIS A 503 -6.668 0.475 -3.897 1.00 0.00 C ATOM 1524 CG HIS A 503 -7.109 1.847 -4.307 1.00 0.00 C ATOM 1525 ND1 HIS A 503 -8.433 2.188 -4.487 1.00 0.00 N ATOM 1526 CD2 HIS A 503 -6.394 2.966 -4.569 1.00 0.00 C ATOM 1527 CE1 HIS A 503 -8.513 3.458 -4.845 1.00 0.00 C ATOM 1528 NE2 HIS A 503 -7.290 3.953 -4.901 1.00 0.00 N ATOM 0 H HIS A 503 -5.665 0.600 -1.209 1.00 0.00 H new ATOM 0 HA HIS A 503 -8.278 0.184 -2.505 1.00 0.00 H new ATOM 0 HB2 HIS A 503 -5.579 0.442 -3.883 1.00 0.00 H new ATOM 0 HB3 HIS A 503 -6.999 -0.243 -4.647 1.00 0.00 H new ATOM 0 HD2 HIS A 503 -5.319 3.065 -4.525 1.00 0.00 H new ATOM 0 HE1 HIS A 503 -9.424 3.999 -5.056 1.00 0.00 H new ATOM 0 HE2 HIS A 503 -7.050 4.912 -5.150 1.00 0.00 H new ATOM 1537 N PRO A 504 -7.911 -2.284 -2.495 1.00 0.00 N ATOM 1538 CA PRO A 504 -7.779 -3.732 -2.311 1.00 0.00 C ATOM 1539 C PRO A 504 -6.901 -4.374 -3.380 1.00 0.00 C ATOM 1540 O PRO A 504 -7.193 -4.282 -4.573 1.00 0.00 O ATOM 1541 CB PRO A 504 -9.219 -4.238 -2.426 1.00 0.00 C ATOM 1542 CG PRO A 504 -9.915 -3.214 -3.255 1.00 0.00 C ATOM 1543 CD PRO A 504 -9.269 -1.899 -2.917 1.00 0.00 C ATOM 0 HA PRO A 504 -7.301 -3.980 -1.364 1.00 0.00 H new ATOM 0 HB2 PRO A 504 -9.257 -5.221 -2.896 1.00 0.00 H new ATOM 0 HB3 PRO A 504 -9.684 -4.336 -1.445 1.00 0.00 H new ATOM 0 HG2 PRO A 504 -9.814 -3.437 -4.317 1.00 0.00 H new ATOM 0 HG3 PRO A 504 -10.982 -3.193 -3.034 1.00 0.00 H new ATOM 0 HD2 PRO A 504 -9.248 -1.229 -3.777 1.00 0.00 H new ATOM 0 HD3 PRO A 504 -9.805 -1.381 -2.122 1.00 0.00 H new ATOM 1551 N ILE A 505 -5.827 -5.024 -2.945 1.00 0.00 N ATOM 1552 CA ILE A 505 -4.908 -5.682 -3.866 1.00 0.00 C ATOM 1553 C ILE A 505 -4.609 -7.109 -3.417 1.00 0.00 C ATOM 1554 O ILE A 505 -4.575 -7.402 -2.222 1.00 0.00 O ATOM 1555 CB ILE A 505 -3.584 -4.907 -3.991 1.00 0.00 C ATOM 1556 CG1 ILE A 505 -2.727 -5.495 -5.114 1.00 0.00 C ATOM 1557 CG2 ILE A 505 -2.828 -4.934 -2.671 1.00 0.00 C ATOM 1558 CD1 ILE A 505 -1.623 -4.571 -5.578 1.00 0.00 C ATOM 0 H ILE A 505 -5.572 -5.109 -1.961 1.00 0.00 H new ATOM 0 HA ILE A 505 -5.399 -5.704 -4.839 1.00 0.00 H new ATOM 0 HB ILE A 505 -3.810 -3.869 -4.237 1.00 0.00 H new ATOM 0 HG12 ILE A 505 -2.286 -6.431 -4.772 1.00 0.00 H new ATOM 0 HG13 ILE A 505 -3.369 -5.736 -5.962 1.00 0.00 H new ATOM 0 HG21 ILE A 505 -1.894 -4.382 -2.775 1.00 0.00 H new ATOM 0 HG22 ILE A 505 -3.437 -4.473 -1.893 1.00 0.00 H new ATOM 0 HG23 ILE A 505 -2.611 -5.966 -2.397 1.00 0.00 H new ATOM 0 HD11 ILE A 505 -1.056 -5.053 -6.375 1.00 0.00 H new ATOM 0 HD12 ILE A 505 -2.058 -3.644 -5.951 1.00 0.00 H new ATOM 0 HD13 ILE A 505 -0.958 -4.350 -4.743 1.00 0.00 H new ATOM 1570 N THR A 506 -4.390 -7.994 -4.385 1.00 0.00 N ATOM 1571 CA THR A 506 -4.092 -9.390 -4.090 1.00 0.00 C ATOM 1572 C THR A 506 -2.590 -9.618 -3.969 1.00 0.00 C ATOM 1573 O THR A 506 -1.796 -8.970 -4.651 1.00 0.00 O ATOM 1574 CB THR A 506 -4.656 -10.326 -5.177 1.00 0.00 C ATOM 1575 OG1 THR A 506 -4.357 -9.804 -6.476 1.00 0.00 O ATOM 1576 CG2 THR A 506 -6.160 -10.488 -5.023 1.00 0.00 C ATOM 0 H THR A 506 -4.413 -7.769 -5.379 1.00 0.00 H new ATOM 0 HA THR A 506 -4.569 -9.621 -3.138 1.00 0.00 H new ATOM 0 HB THR A 506 -4.188 -11.304 -5.063 1.00 0.00 H new ATOM 0 HG1 THR A 506 -4.717 -10.405 -7.161 1.00 0.00 H new ATOM 0 HG21 THR A 506 -6.536 -11.153 -5.801 1.00 0.00 H new ATOM 0 HG22 THR A 506 -6.382 -10.913 -4.044 1.00 0.00 H new ATOM 0 HG23 THR A 506 -6.642 -9.515 -5.113 1.00 0.00 H new ATOM 1584 N LYS A 507 -2.205 -10.543 -3.096 1.00 0.00 N ATOM 1585 CA LYS A 507 -0.798 -10.859 -2.886 1.00 0.00 C ATOM 1586 C LYS A 507 -0.018 -10.765 -4.193 1.00 0.00 C ATOM 1587 O LYS A 507 0.987 -10.058 -4.280 1.00 0.00 O ATOM 1588 CB LYS A 507 -0.652 -12.262 -2.292 1.00 0.00 C ATOM 1589 CG LYS A 507 0.761 -12.586 -1.836 1.00 0.00 C ATOM 1590 CD LYS A 507 0.982 -12.193 -0.385 1.00 0.00 C ATOM 1591 CE LYS A 507 2.338 -12.662 0.119 1.00 0.00 C ATOM 1592 NZ LYS A 507 3.398 -11.640 -0.107 1.00 0.00 N ATOM 0 H LYS A 507 -2.849 -11.087 -2.522 1.00 0.00 H new ATOM 0 HA LYS A 507 -0.389 -10.130 -2.186 1.00 0.00 H new ATOM 0 HB2 LYS A 507 -1.330 -12.361 -1.444 1.00 0.00 H new ATOM 0 HB3 LYS A 507 -0.962 -12.996 -3.035 1.00 0.00 H new ATOM 0 HG2 LYS A 507 0.948 -13.653 -1.958 1.00 0.00 H new ATOM 0 HG3 LYS A 507 1.478 -12.063 -2.469 1.00 0.00 H new ATOM 0 HD2 LYS A 507 0.910 -11.110 -0.285 1.00 0.00 H new ATOM 0 HD3 LYS A 507 0.194 -12.623 0.234 1.00 0.00 H new ATOM 0 HE2 LYS A 507 2.272 -12.887 1.183 1.00 0.00 H new ATOM 0 HE3 LYS A 507 2.613 -13.588 -0.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 507 4.334 -12.079 0.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 507 3.312 -11.258 -1.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 507 3.290 -10.869 0.582 1.00 0.00 H new ATOM 1606 N LYS A 508 -0.487 -11.482 -5.209 1.00 0.00 N ATOM 1607 CA LYS A 508 0.165 -11.478 -6.514 1.00 0.00 C ATOM 1608 C LYS A 508 0.422 -10.051 -6.989 1.00 0.00 C ATOM 1609 O LYS A 508 1.567 -9.606 -7.056 1.00 0.00 O ATOM 1610 CB LYS A 508 -0.696 -12.221 -7.539 1.00 0.00 C ATOM 1611 CG LYS A 508 0.103 -12.817 -8.685 1.00 0.00 C ATOM 1612 CD LYS A 508 0.831 -14.080 -8.259 1.00 0.00 C ATOM 1613 CE LYS A 508 -0.110 -15.274 -8.202 1.00 0.00 C ATOM 1614 NZ LYS A 508 -0.434 -15.790 -9.561 1.00 0.00 N ATOM 0 H LYS A 508 -1.316 -12.073 -5.154 1.00 0.00 H new ATOM 0 HA LYS A 508 1.123 -11.988 -6.416 1.00 0.00 H new ATOM 0 HB2 LYS A 508 -1.241 -13.018 -7.034 1.00 0.00 H new ATOM 0 HB3 LYS A 508 -1.439 -11.534 -7.944 1.00 0.00 H new ATOM 0 HG2 LYS A 508 -0.565 -13.044 -9.516 1.00 0.00 H new ATOM 0 HG3 LYS A 508 0.825 -12.084 -9.046 1.00 0.00 H new ATOM 0 HD2 LYS A 508 1.641 -14.287 -8.958 1.00 0.00 H new ATOM 0 HD3 LYS A 508 1.285 -13.927 -7.280 1.00 0.00 H new ATOM 0 HE2 LYS A 508 0.346 -16.068 -7.611 1.00 0.00 H new ATOM 0 HE3 LYS A 508 -1.030 -14.987 -7.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 508 -0.965 -16.680 -9.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 508 -1.011 -15.090 -10.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 508 0.447 -15.960 -10.087 1.00 0.00 H new ATOM 1628 N GLY A 509 -0.652 -9.338 -7.317 1.00 0.00 N ATOM 1629 CA GLY A 509 -0.520 -7.969 -7.780 1.00 0.00 C ATOM 1630 C GLY A 509 0.404 -7.147 -6.904 1.00 0.00 C ATOM 1631 O GLY A 509 1.181 -6.334 -7.403 1.00 0.00 O ATOM 0 H GLY A 509 -1.610 -9.684 -7.270 1.00 0.00 H new ATOM 0 HA2 GLY A 509 -0.141 -7.969 -8.802 1.00 0.00 H new ATOM 0 HA3 GLY A 509 -1.504 -7.501 -7.805 1.00 0.00 H new ATOM 1635 N MET A 510 0.319 -7.358 -5.595 1.00 0.00 N ATOM 1636 CA MET A 510 1.155 -6.629 -4.647 1.00 0.00 C ATOM 1637 C MET A 510 2.631 -6.941 -4.873 1.00 0.00 C ATOM 1638 O MET A 510 3.461 -6.034 -4.959 1.00 0.00 O ATOM 1639 CB MET A 510 0.761 -6.981 -3.212 1.00 0.00 C ATOM 1640 CG MET A 510 1.488 -6.155 -2.163 1.00 0.00 C ATOM 1641 SD MET A 510 1.430 -6.906 -0.524 1.00 0.00 S ATOM 1642 CE MET A 510 2.197 -8.491 -0.851 1.00 0.00 C ATOM 0 H MET A 510 -0.320 -8.027 -5.166 1.00 0.00 H new ATOM 0 HA MET A 510 0.999 -5.562 -4.807 1.00 0.00 H new ATOM 0 HB2 MET A 510 -0.313 -6.840 -3.094 1.00 0.00 H new ATOM 0 HB3 MET A 510 0.965 -8.037 -3.036 1.00 0.00 H new ATOM 0 HG2 MET A 510 2.528 -6.028 -2.463 1.00 0.00 H new ATOM 0 HG3 MET A 510 1.045 -5.160 -2.118 1.00 0.00 H new ATOM 0 HE1 MET A 510 2.572 -8.913 0.081 1.00 0.00 H new ATOM 0 HE2 MET A 510 1.462 -9.168 -1.286 1.00 0.00 H new ATOM 0 HE3 MET A 510 3.024 -8.358 -1.548 1.00 0.00 H new ATOM 1652 N LEU A 511 2.952 -8.226 -4.969 1.00 0.00 N ATOM 1653 CA LEU A 511 4.329 -8.657 -5.184 1.00 0.00 C ATOM 1654 C LEU A 511 4.832 -8.209 -6.553 1.00 0.00 C ATOM 1655 O LEU A 511 5.997 -7.847 -6.708 1.00 0.00 O ATOM 1656 CB LEU A 511 4.433 -10.178 -5.064 1.00 0.00 C ATOM 1657 CG LEU A 511 4.311 -10.749 -3.650 1.00 0.00 C ATOM 1658 CD1 LEU A 511 4.000 -12.237 -3.701 1.00 0.00 C ATOM 1659 CD2 LEU A 511 5.586 -10.495 -2.860 1.00 0.00 C ATOM 0 H LEU A 511 2.277 -8.988 -4.901 1.00 0.00 H new ATOM 0 HA LEU A 511 4.952 -8.195 -4.418 1.00 0.00 H new ATOM 0 HB2 LEU A 511 3.656 -10.625 -5.683 1.00 0.00 H new ATOM 0 HB3 LEU A 511 5.391 -10.491 -5.479 1.00 0.00 H new ATOM 0 HG LEU A 511 3.488 -10.244 -3.144 1.00 0.00 H new ATOM 0 HD11 LEU A 511 3.917 -12.626 -2.686 1.00 0.00 H new ATOM 0 HD12 LEU A 511 3.059 -12.394 -4.228 1.00 0.00 H new ATOM 0 HD13 LEU A 511 4.801 -12.758 -4.225 1.00 0.00 H new ATOM 0 HD21 LEU A 511 5.481 -10.908 -1.857 1.00 0.00 H new ATOM 0 HD22 LEU A 511 6.427 -10.973 -3.363 1.00 0.00 H new ATOM 0 HD23 LEU A 511 5.765 -9.422 -2.794 1.00 0.00 H new ATOM 1671 N GLU A 512 3.943 -8.234 -7.541 1.00 0.00 N ATOM 1672 CA GLU A 512 4.298 -7.828 -8.897 1.00 0.00 C ATOM 1673 C GLU A 512 5.039 -6.494 -8.889 1.00 0.00 C ATOM 1674 O GLU A 512 6.071 -6.341 -9.542 1.00 0.00 O ATOM 1675 CB GLU A 512 3.043 -7.721 -9.766 1.00 0.00 C ATOM 1676 CG GLU A 512 2.499 -9.066 -10.218 1.00 0.00 C ATOM 1677 CD GLU A 512 3.434 -9.781 -11.174 1.00 0.00 C ATOM 1678 OE1 GLU A 512 4.144 -9.091 -11.936 1.00 0.00 O ATOM 1679 OE2 GLU A 512 3.456 -11.030 -11.162 1.00 0.00 O ATOM 0 H GLU A 512 2.973 -8.530 -7.429 1.00 0.00 H new ATOM 0 HA GLU A 512 4.958 -8.588 -9.315 1.00 0.00 H new ATOM 0 HB2 GLU A 512 2.269 -7.194 -9.208 1.00 0.00 H new ATOM 0 HB3 GLU A 512 3.270 -7.117 -10.644 1.00 0.00 H new ATOM 0 HG2 GLU A 512 2.326 -9.696 -9.345 1.00 0.00 H new ATOM 0 HG3 GLU A 512 1.533 -8.919 -10.702 1.00 0.00 H new ATOM 1686 N LYS A 513 4.505 -5.531 -8.145 1.00 0.00 N ATOM 1687 CA LYS A 513 5.114 -4.210 -8.050 1.00 0.00 C ATOM 1688 C LYS A 513 6.417 -4.267 -7.260 1.00 0.00 C ATOM 1689 O LYS A 513 7.470 -3.859 -7.750 1.00 0.00 O ATOM 1690 CB LYS A 513 4.147 -3.226 -7.389 1.00 0.00 C ATOM 1691 CG LYS A 513 2.975 -2.837 -8.274 1.00 0.00 C ATOM 1692 CD LYS A 513 1.746 -2.489 -7.451 1.00 0.00 C ATOM 1693 CE LYS A 513 0.525 -2.282 -8.333 1.00 0.00 C ATOM 1694 NZ LYS A 513 0.527 -0.939 -8.976 1.00 0.00 N ATOM 0 H LYS A 513 3.651 -5.641 -7.599 1.00 0.00 H new ATOM 0 HA LYS A 513 5.337 -3.867 -9.060 1.00 0.00 H new ATOM 0 HB2 LYS A 513 3.765 -3.668 -6.468 1.00 0.00 H new ATOM 0 HB3 LYS A 513 4.694 -2.326 -7.108 1.00 0.00 H new ATOM 0 HG2 LYS A 513 3.253 -1.984 -8.893 1.00 0.00 H new ATOM 0 HG3 LYS A 513 2.740 -3.659 -8.950 1.00 0.00 H new ATOM 0 HD2 LYS A 513 1.548 -3.287 -6.735 1.00 0.00 H new ATOM 0 HD3 LYS A 513 1.937 -1.584 -6.874 1.00 0.00 H new ATOM 0 HE2 LYS A 513 0.498 -3.053 -9.103 1.00 0.00 H new ATOM 0 HE3 LYS A 513 -0.379 -2.397 -7.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 513 -0.321 -0.837 -9.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 513 0.527 -0.203 -8.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 513 1.377 -0.838 -9.567 1.00 0.00 H new ATOM 1708 N ILE A 514 6.339 -4.778 -6.035 1.00 0.00 N ATOM 1709 CA ILE A 514 7.513 -4.890 -5.179 1.00 0.00 C ATOM 1710 C ILE A 514 8.736 -5.328 -5.978 1.00 0.00 C ATOM 1711 O ILE A 514 9.872 -5.027 -5.609 1.00 0.00 O ATOM 1712 CB ILE A 514 7.279 -5.891 -4.031 1.00 0.00 C ATOM 1713 CG1 ILE A 514 6.236 -5.344 -3.054 1.00 0.00 C ATOM 1714 CG2 ILE A 514 8.586 -6.185 -3.310 1.00 0.00 C ATOM 1715 CD1 ILE A 514 5.811 -6.344 -2.003 1.00 0.00 C ATOM 0 H ILE A 514 5.475 -5.121 -5.614 1.00 0.00 H new ATOM 0 HA ILE A 514 7.692 -3.901 -4.758 1.00 0.00 H new ATOM 0 HB ILE A 514 6.902 -6.823 -4.452 1.00 0.00 H new ATOM 0 HG12 ILE A 514 6.640 -4.460 -2.561 1.00 0.00 H new ATOM 0 HG13 ILE A 514 5.358 -5.023 -3.614 1.00 0.00 H new ATOM 0 HG21 ILE A 514 8.404 -6.894 -2.502 1.00 0.00 H new ATOM 0 HG22 ILE A 514 9.301 -6.612 -4.013 1.00 0.00 H new ATOM 0 HG23 ILE A 514 8.990 -5.260 -2.898 1.00 0.00 H new ATOM 0 HD11 ILE A 514 5.071 -5.888 -1.345 1.00 0.00 H new ATOM 0 HD12 ILE A 514 5.377 -7.219 -2.487 1.00 0.00 H new ATOM 0 HD13 ILE A 514 6.679 -6.647 -1.417 1.00 0.00 H new ATOM 1727 N ASP A 515 8.497 -6.038 -7.075 1.00 0.00 N ATOM 1728 CA ASP A 515 9.579 -6.515 -7.928 1.00 0.00 C ATOM 1729 C ASP A 515 10.138 -5.381 -8.781 1.00 0.00 C ATOM 1730 O ASP A 515 11.327 -5.069 -8.714 1.00 0.00 O ATOM 1731 CB ASP A 515 9.085 -7.650 -8.827 1.00 0.00 C ATOM 1732 CG ASP A 515 10.191 -8.619 -9.196 1.00 0.00 C ATOM 1733 OD1 ASP A 515 10.940 -9.038 -8.288 1.00 0.00 O ATOM 1734 OD2 ASP A 515 10.308 -8.958 -10.392 1.00 0.00 O ATOM 0 H ASP A 515 7.563 -6.296 -7.394 1.00 0.00 H new ATOM 0 HA ASP A 515 10.376 -6.890 -7.287 1.00 0.00 H new ATOM 0 HB2 ASP A 515 8.287 -8.191 -8.319 1.00 0.00 H new ATOM 0 HB3 ASP A 515 8.656 -7.229 -9.736 1.00 0.00 H new ATOM 1739 N MET A 516 9.273 -4.767 -9.582 1.00 0.00 N ATOM 1740 CA MET A 516 9.682 -3.667 -10.448 1.00 0.00 C ATOM 1741 C MET A 516 10.390 -2.579 -9.648 1.00 0.00 C ATOM 1742 O MET A 516 11.265 -1.885 -10.166 1.00 0.00 O ATOM 1743 CB MET A 516 8.467 -3.078 -11.167 1.00 0.00 C ATOM 1744 CG MET A 516 7.589 -2.218 -10.273 1.00 0.00 C ATOM 1745 SD MET A 516 6.593 -1.038 -11.204 1.00 0.00 S ATOM 1746 CE MET A 516 5.108 -1.999 -11.488 1.00 0.00 C ATOM 0 H MET A 516 8.285 -5.012 -9.649 1.00 0.00 H new ATOM 0 HA MET A 516 10.379 -4.060 -11.188 1.00 0.00 H new ATOM 0 HB2 MET A 516 8.810 -2.479 -12.010 1.00 0.00 H new ATOM 0 HB3 MET A 516 7.868 -3.891 -11.576 1.00 0.00 H new ATOM 0 HG2 MET A 516 6.931 -2.862 -9.689 1.00 0.00 H new ATOM 0 HG3 MET A 516 8.217 -1.678 -9.565 1.00 0.00 H new ATOM 0 HE1 MET A 516 4.372 -1.386 -12.008 1.00 0.00 H new ATOM 0 HE2 MET A 516 5.349 -2.871 -12.097 1.00 0.00 H new ATOM 0 HE3 MET A 516 4.698 -2.326 -10.532 1.00 0.00 H new ATOM 1756 N ILE A 517 10.006 -2.437 -8.383 1.00 0.00 N ATOM 1757 CA ILE A 517 10.606 -1.434 -7.512 1.00 0.00 C ATOM 1758 C ILE A 517 12.098 -1.688 -7.326 1.00 0.00 C ATOM 1759 O ILE A 517 12.919 -0.788 -7.505 1.00 0.00 O ATOM 1760 CB ILE A 517 9.925 -1.408 -6.131 1.00 0.00 C ATOM 1761 CG1 ILE A 517 8.468 -0.960 -6.265 1.00 0.00 C ATOM 1762 CG2 ILE A 517 10.683 -0.489 -5.184 1.00 0.00 C ATOM 1763 CD1 ILE A 517 7.572 -1.482 -5.163 1.00 0.00 C ATOM 0 H ILE A 517 9.283 -3.003 -7.939 1.00 0.00 H new ATOM 0 HA ILE A 517 10.462 -0.469 -7.997 1.00 0.00 H new ATOM 0 HB ILE A 517 9.939 -2.416 -5.716 1.00 0.00 H new ATOM 0 HG12 ILE A 517 8.430 0.129 -6.268 1.00 0.00 H new ATOM 0 HG13 ILE A 517 8.080 -1.295 -7.227 1.00 0.00 H new ATOM 0 HG21 ILE A 517 10.190 -0.481 -4.212 1.00 0.00 H new ATOM 0 HG22 ILE A 517 11.706 -0.848 -5.069 1.00 0.00 H new ATOM 0 HG23 ILE A 517 10.697 0.522 -5.592 1.00 0.00 H new ATOM 0 HD11 ILE A 517 6.554 -1.125 -5.322 1.00 0.00 H new ATOM 0 HD12 ILE A 517 7.580 -2.572 -5.173 1.00 0.00 H new ATOM 0 HD13 ILE A 517 7.935 -1.125 -4.199 1.00 0.00 H new ATOM 1775 N ARG A 518 12.442 -2.921 -6.968 1.00 0.00 N ATOM 1776 CA ARG A 518 13.836 -3.294 -6.758 1.00 0.00 C ATOM 1777 C ARG A 518 14.647 -3.107 -8.037 1.00 0.00 C ATOM 1778 O ARG A 518 15.635 -2.372 -8.056 1.00 0.00 O ATOM 1779 CB ARG A 518 13.931 -4.748 -6.290 1.00 0.00 C ATOM 1780 CG ARG A 518 13.108 -5.042 -5.047 1.00 0.00 C ATOM 1781 CD ARG A 518 13.011 -6.537 -4.784 1.00 0.00 C ATOM 1782 NE ARG A 518 14.147 -7.032 -4.012 1.00 0.00 N ATOM 1783 CZ ARG A 518 14.301 -8.305 -3.666 1.00 0.00 C ATOM 1784 NH1 ARG A 518 13.396 -9.207 -4.021 1.00 0.00 N ATOM 1785 NH2 ARG A 518 15.362 -8.679 -2.962 1.00 0.00 N ATOM 0 H ARG A 518 11.775 -3.678 -6.817 1.00 0.00 H new ATOM 0 HA ARG A 518 14.249 -2.643 -5.988 1.00 0.00 H new ATOM 0 HB2 ARG A 518 13.602 -5.403 -7.097 1.00 0.00 H new ATOM 0 HB3 ARG A 518 14.975 -4.989 -6.090 1.00 0.00 H new ATOM 0 HG2 ARG A 518 13.558 -4.548 -4.186 1.00 0.00 H new ATOM 0 HG3 ARG A 518 12.107 -4.627 -5.165 1.00 0.00 H new ATOM 0 HD2 ARG A 518 12.087 -6.751 -4.247 1.00 0.00 H new ATOM 0 HD3 ARG A 518 12.959 -7.069 -5.734 1.00 0.00 H new ATOM 0 HE ARG A 518 14.861 -6.364 -3.723 1.00 0.00 H new ATOM 0 HH11 ARG A 518 12.579 -8.924 -4.561 1.00 0.00 H new ATOM 0 HH12 ARG A 518 13.517 -10.184 -3.754 1.00 0.00 H new ATOM 0 HH21 ARG A 518 16.060 -7.989 -2.686 1.00 0.00 H new ATOM 0 HH22 ARG A 518 15.479 -9.657 -2.697 1.00 0.00 H new