USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 630 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 372 ASN : amide:sc= -6.67! C(o=-5.8!,f=-6.6!) USER MOD Set 1.2: A 390 SER OG : rot -69:sc= 0.858 USER MOD Set 1.3: A 393 TYR OH : rot 76:sc=-0.00886 USER MOD Set 2.1: A 369 ASN : amide:sc= -0.302 K(o=-0.23,f=-11!) USER MOD Set 2.2: A 371 LYS NZ :NH3+ -149:sc= 0.0693 (180deg=-0.875) USER MOD Set 3.1: A 357 ASN : amide:sc= -1.73 X(o=-4.4,f=-4.8) USER MOD Set 3.2: A 360 ASN : amide:sc= -2.65 K(o=-4.4,f=-6.9!) USER MOD Set 4.1: A 351 GLN : amide:sc= -6.78! C(o=-5.9!,f=-7.9!) USER MOD Set 4.2: A 354 SER OG : rot -46:sc= 0.911 USER MOD Single : A 345 SER OG : rot 180:sc= -0.0166 USER MOD Single : A 346 SER OG : rot 180:sc= 0 USER MOD Single : A 347 HIS : no HD1:sc= -0.514 X(o=-0.51,f=-0.12) USER MOD Single : A 348 TYR OH : rot 180:sc= 0 USER MOD Single : A 349 THR OG1 : rot -30:sc= 0.23 USER MOD Single : A 353 SER OG : rot 180:sc= -0.588! USER MOD Single : A 355 SER OG : rot 64:sc= 0.833 USER MOD Single : A 356 SER OG : rot -76:sc= 1.03 USER MOD Single : A 358 TYR OH : rot 180:sc= 0 USER MOD Single : A 362 ASN :FLIP amide:sc= -2.8! C(o=-4.6!,f=-2.8!) USER MOD Single : A 366 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 367 LYS NZ :NH3+ -162:sc= -0.0693 (180deg=-0.678) USER MOD Single : A 373 TYR OH : rot 180:sc= 0 USER MOD Single : A 376 TYR OH : rot 180:sc= 0 USER MOD Single : A 378 THR OG1 : rot 77:sc= 0.122 USER MOD Single : A 379 THR OG1 : rot 180:sc= 0 USER MOD Single : A 381 ASN : amide:sc= -0.13 X(o=-0.13,f=-0.22) USER MOD Single : A 383 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 386 TYR OH : rot 180:sc= 0 USER MOD Single : A 395 SER OG : rot 180:sc= 0.307 USER MOD Single : A 396 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 400 LYS NZ :NH3+ -168:sc= -0.117 (180deg=-0.281) USER MOD Single : A 401 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 404 SER OG : rot 180:sc= 0 USER MOD Single : A 405 THR OG1 : rot -83:sc= 0.731 USER MOD Single : A 411 GLN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 413 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 414 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 418 LYS NZ :NH3+ -144:sc= -1.07 (180deg=-1.77) USER MOD Single : A 422 GLN : amide:sc= -0.0798 X(o=-0.08,f=-0.051) USER MOD Single : A 424 GLN : amide:sc= -4.04! C(o=-4!,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 321 N SER A 345 104.223 2.019 -5.229 1.00 0.00 N ATOM 322 CA SER A 345 103.101 2.778 -4.688 1.00 0.00 C ATOM 323 C SER A 345 103.594 3.823 -3.692 1.00 0.00 C ATOM 324 O SER A 345 102.799 4.474 -3.015 1.00 0.00 O ATOM 325 CB SER A 345 102.120 1.833 -3.995 1.00 0.00 C ATOM 326 OG SER A 345 101.424 1.077 -4.979 1.00 0.00 O ATOM 0 HA SER A 345 102.597 3.285 -5.511 1.00 0.00 H new ATOM 0 HB2 SER A 345 102.655 1.167 -3.318 1.00 0.00 H new ATOM 0 HB3 SER A 345 101.414 2.402 -3.390 1.00 0.00 H new ATOM 0 HG SER A 345 100.795 0.468 -4.539 1.00 0.00 H new ATOM 332 N SER A 346 104.912 3.974 -3.608 1.00 0.00 N ATOM 333 CA SER A 346 105.504 4.941 -2.691 1.00 0.00 C ATOM 334 C SER A 346 105.005 6.348 -3.001 1.00 0.00 C ATOM 335 O SER A 346 105.218 7.278 -2.222 1.00 0.00 O ATOM 336 CB SER A 346 107.027 4.901 -2.804 1.00 0.00 C ATOM 337 OG SER A 346 107.491 3.606 -2.445 1.00 0.00 O ATOM 0 H SER A 346 105.586 3.443 -4.160 1.00 0.00 H new ATOM 0 HA SER A 346 105.208 4.679 -1.675 1.00 0.00 H new ATOM 0 HB2 SER A 346 107.334 5.141 -3.822 1.00 0.00 H new ATOM 0 HB3 SER A 346 107.471 5.653 -2.152 1.00 0.00 H new ATOM 0 HG SER A 346 108.468 3.577 -2.518 1.00 0.00 H new ATOM 343 N HIS A 347 104.340 6.499 -4.141 1.00 0.00 N ATOM 344 CA HIS A 347 103.815 7.800 -4.541 1.00 0.00 C ATOM 345 C HIS A 347 102.548 8.132 -3.759 1.00 0.00 C ATOM 346 O HIS A 347 101.753 7.246 -3.442 1.00 0.00 O ATOM 347 CB HIS A 347 103.508 7.803 -6.039 1.00 0.00 C ATOM 348 CG HIS A 347 104.786 7.648 -6.815 1.00 0.00 C ATOM 349 ND1 HIS A 347 104.851 7.863 -8.183 1.00 0.00 N ATOM 350 CD2 HIS A 347 106.056 7.298 -6.430 1.00 0.00 C ATOM 351 CE1 HIS A 347 106.122 7.643 -8.568 1.00 0.00 C ATOM 352 NE2 HIS A 347 106.898 7.297 -7.538 1.00 0.00 N ATOM 0 H HIS A 347 104.152 5.743 -4.800 1.00 0.00 H new ATOM 0 HA HIS A 347 104.570 8.556 -4.324 1.00 0.00 H new ATOM 0 HB2 HIS A 347 102.822 6.991 -6.282 1.00 0.00 H new ATOM 0 HB3 HIS A 347 103.012 8.733 -6.317 1.00 0.00 H new ATOM 0 HD2 HIS A 347 106.356 7.060 -5.420 1.00 0.00 H new ATOM 0 HE1 HIS A 347 106.471 7.735 -9.586 1.00 0.00 H new ATOM 0 HE2 HIS A 347 107.894 7.079 -7.559 1.00 0.00 H new ATOM 361 N TYR A 348 102.365 9.416 -3.452 1.00 0.00 N ATOM 362 CA TYR A 348 101.189 9.872 -2.705 1.00 0.00 C ATOM 363 C TYR A 348 100.278 10.702 -3.608 1.00 0.00 C ATOM 364 O TYR A 348 100.713 11.230 -4.631 1.00 0.00 O ATOM 365 CB TYR A 348 101.636 10.720 -1.503 1.00 0.00 C ATOM 366 CG TYR A 348 102.080 9.817 -0.373 1.00 0.00 C ATOM 367 CD1 TYR A 348 103.303 9.141 -0.457 1.00 0.00 C ATOM 368 CD2 TYR A 348 101.268 9.656 0.756 1.00 0.00 C ATOM 369 CE1 TYR A 348 103.713 8.304 0.589 1.00 0.00 C ATOM 370 CE2 TYR A 348 101.678 8.821 1.801 1.00 0.00 C ATOM 371 CZ TYR A 348 102.901 8.144 1.718 1.00 0.00 C ATOM 372 OH TYR A 348 103.304 7.320 2.748 1.00 0.00 O ATOM 0 H TYR A 348 103.014 10.160 -3.708 1.00 0.00 H new ATOM 0 HA TYR A 348 100.637 9.001 -2.351 1.00 0.00 H new ATOM 0 HB2 TYR A 348 102.453 11.379 -1.796 1.00 0.00 H new ATOM 0 HB3 TYR A 348 100.816 11.357 -1.171 1.00 0.00 H new ATOM 0 HD1 TYR A 348 103.930 9.265 -1.328 1.00 0.00 H new ATOM 0 HD2 TYR A 348 100.324 10.177 0.820 1.00 0.00 H new ATOM 0 HE1 TYR A 348 104.656 7.782 0.524 1.00 0.00 H new ATOM 0 HE2 TYR A 348 101.051 8.699 2.672 1.00 0.00 H new ATOM 0 HH TYR A 348 102.625 7.323 3.454 1.00 0.00 H new ATOM 382 N THR A 349 99.014 10.813 -3.214 1.00 0.00 N ATOM 383 CA THR A 349 98.042 11.582 -3.983 1.00 0.00 C ATOM 384 C THR A 349 96.895 12.030 -3.083 1.00 0.00 C ATOM 385 O THR A 349 96.028 11.234 -2.725 1.00 0.00 O ATOM 386 CB THR A 349 97.492 10.733 -5.132 1.00 0.00 C ATOM 387 OG1 THR A 349 98.572 10.126 -5.827 1.00 0.00 O ATOM 388 CG2 THR A 349 96.700 11.622 -6.092 1.00 0.00 C ATOM 0 H THR A 349 98.639 10.382 -2.369 1.00 0.00 H new ATOM 0 HA THR A 349 98.539 12.462 -4.392 1.00 0.00 H new ATOM 0 HB THR A 349 96.836 9.960 -4.732 1.00 0.00 H new ATOM 0 HG1 THR A 349 99.364 10.699 -5.765 1.00 0.00 H new ATOM 0 HG21 THR A 349 96.309 11.017 -6.910 1.00 0.00 H new ATOM 0 HG22 THR A 349 95.872 12.088 -5.557 1.00 0.00 H new ATOM 0 HG23 THR A 349 97.354 12.396 -6.494 1.00 0.00 H new ATOM 396 N LEU A 350 96.906 13.306 -2.713 1.00 0.00 N ATOM 397 CA LEU A 350 95.868 13.851 -1.844 1.00 0.00 C ATOM 398 C LEU A 350 94.484 13.644 -2.452 1.00 0.00 C ATOM 399 O LEU A 350 94.270 12.724 -3.241 1.00 0.00 O ATOM 400 CB LEU A 350 96.106 15.347 -1.616 1.00 0.00 C ATOM 401 CG LEU A 350 97.581 15.593 -1.287 1.00 0.00 C ATOM 402 CD1 LEU A 350 97.775 17.061 -0.897 1.00 0.00 C ATOM 403 CD2 LEU A 350 98.009 14.694 -0.119 1.00 0.00 C ATOM 0 H LEU A 350 97.617 13.979 -2.999 1.00 0.00 H new ATOM 0 HA LEU A 350 95.914 13.324 -0.891 1.00 0.00 H new ATOM 0 HB2 LEU A 350 95.824 15.909 -2.506 1.00 0.00 H new ATOM 0 HB3 LEU A 350 95.477 15.704 -0.800 1.00 0.00 H new ATOM 0 HG LEU A 350 98.190 15.361 -2.161 1.00 0.00 H new ATOM 0 HD11 LEU A 350 98.824 17.239 -0.662 1.00 0.00 H new ATOM 0 HD12 LEU A 350 97.475 17.701 -1.727 1.00 0.00 H new ATOM 0 HD13 LEU A 350 97.164 17.289 -0.024 1.00 0.00 H new ATOM 0 HD21 LEU A 350 99.059 14.872 0.112 1.00 0.00 H new ATOM 0 HD22 LEU A 350 97.401 14.922 0.757 1.00 0.00 H new ATOM 0 HD23 LEU A 350 97.871 13.649 -0.395 1.00 0.00 H new ATOM 415 N GLN A 351 93.546 14.507 -2.071 1.00 0.00 N ATOM 416 CA GLN A 351 92.178 14.416 -2.575 1.00 0.00 C ATOM 417 C GLN A 351 91.512 15.788 -2.574 1.00 0.00 C ATOM 418 O GLN A 351 91.680 16.570 -1.638 1.00 0.00 O ATOM 419 CB GLN A 351 91.368 13.454 -1.703 1.00 0.00 C ATOM 420 CG GLN A 351 89.925 13.391 -2.209 1.00 0.00 C ATOM 421 CD GLN A 351 89.217 12.181 -1.607 1.00 0.00 C ATOM 422 OE1 GLN A 351 88.080 12.291 -1.148 1.00 0.00 O ATOM 423 NE2 GLN A 351 89.825 11.027 -1.582 1.00 0.00 N ATOM 0 H GLN A 351 93.706 15.274 -1.418 1.00 0.00 H new ATOM 0 HA GLN A 351 92.211 14.043 -3.599 1.00 0.00 H new ATOM 0 HB2 GLN A 351 91.816 12.461 -1.727 1.00 0.00 H new ATOM 0 HB3 GLN A 351 91.386 13.786 -0.665 1.00 0.00 H new ATOM 0 HG2 GLN A 351 89.395 14.305 -1.939 1.00 0.00 H new ATOM 0 HG3 GLN A 351 89.914 13.326 -3.297 1.00 0.00 H new ATOM 0 HE21 GLN A 351 90.767 10.939 -1.963 1.00 0.00 H new ATOM 0 HE22 GLN A 351 89.358 10.213 -1.182 1.00 0.00 H new ATOM 432 N LEU A 352 90.757 16.074 -3.630 1.00 0.00 N ATOM 433 CA LEU A 352 90.071 17.355 -3.744 1.00 0.00 C ATOM 434 C LEU A 352 88.874 17.402 -2.798 1.00 0.00 C ATOM 435 O LEU A 352 88.686 18.375 -2.067 1.00 0.00 O ATOM 436 CB LEU A 352 89.595 17.573 -5.186 1.00 0.00 C ATOM 437 CG LEU A 352 90.777 17.957 -6.093 1.00 0.00 C ATOM 438 CD1 LEU A 352 91.302 19.365 -5.744 1.00 0.00 C ATOM 439 CD2 LEU A 352 91.904 16.927 -5.933 1.00 0.00 C ATOM 0 H LEU A 352 90.606 15.440 -4.414 1.00 0.00 H new ATOM 0 HA LEU A 352 90.770 18.146 -3.473 1.00 0.00 H new ATOM 0 HB2 LEU A 352 89.122 16.665 -5.560 1.00 0.00 H new ATOM 0 HB3 LEU A 352 88.840 18.359 -5.211 1.00 0.00 H new ATOM 0 HG LEU A 352 90.433 17.966 -7.127 1.00 0.00 H new ATOM 0 HD11 LEU A 352 92.137 19.614 -6.398 1.00 0.00 H new ATOM 0 HD12 LEU A 352 90.504 20.095 -5.880 1.00 0.00 H new ATOM 0 HD13 LEU A 352 91.636 19.382 -4.707 1.00 0.00 H new ATOM 0 HD21 LEU A 352 92.741 17.200 -6.576 1.00 0.00 H new ATOM 0 HD22 LEU A 352 92.235 16.909 -4.895 1.00 0.00 H new ATOM 0 HD23 LEU A 352 91.537 15.940 -6.214 1.00 0.00 H new ATOM 451 N SER A 353 88.067 16.346 -2.815 1.00 0.00 N ATOM 452 CA SER A 353 86.891 16.288 -1.951 1.00 0.00 C ATOM 453 C SER A 353 86.273 14.893 -1.952 1.00 0.00 C ATOM 454 O SER A 353 86.897 13.926 -2.387 1.00 0.00 O ATOM 455 CB SER A 353 85.850 17.306 -2.416 1.00 0.00 C ATOM 456 OG SER A 353 84.699 17.215 -1.587 1.00 0.00 O ATOM 0 H SER A 353 88.202 15.528 -3.409 1.00 0.00 H new ATOM 0 HA SER A 353 87.209 16.524 -0.936 1.00 0.00 H new ATOM 0 HB2 SER A 353 86.265 18.313 -2.372 1.00 0.00 H new ATOM 0 HB3 SER A 353 85.579 17.118 -3.455 1.00 0.00 H new ATOM 0 HG SER A 353 84.031 17.868 -1.882 1.00 0.00 H new ATOM 462 N SER A 354 85.039 14.802 -1.456 1.00 0.00 N ATOM 463 CA SER A 354 84.330 13.525 -1.393 1.00 0.00 C ATOM 464 C SER A 354 82.826 13.739 -1.547 1.00 0.00 C ATOM 465 O SER A 354 82.313 14.824 -1.276 1.00 0.00 O ATOM 466 CB SER A 354 84.613 12.840 -0.057 1.00 0.00 C ATOM 467 OG SER A 354 86.016 12.663 0.091 1.00 0.00 O ATOM 0 H SER A 354 84.511 15.596 -1.093 1.00 0.00 H new ATOM 0 HA SER A 354 84.682 12.894 -2.209 1.00 0.00 H new ATOM 0 HB2 SER A 354 84.222 13.442 0.764 1.00 0.00 H new ATOM 0 HB3 SER A 354 84.106 11.876 -0.015 1.00 0.00 H new ATOM 0 HG SER A 354 86.390 12.306 -0.741 1.00 0.00 H new ATOM 473 N SER A 355 82.128 12.692 -1.979 1.00 0.00 N ATOM 474 CA SER A 355 80.680 12.761 -2.163 1.00 0.00 C ATOM 475 C SER A 355 80.161 11.436 -2.723 1.00 0.00 C ATOM 476 O SER A 355 80.915 10.473 -2.856 1.00 0.00 O ATOM 477 CB SER A 355 80.317 13.916 -3.109 1.00 0.00 C ATOM 478 OG SER A 355 80.244 15.125 -2.365 1.00 0.00 O ATOM 0 H SER A 355 82.540 11.787 -2.208 1.00 0.00 H new ATOM 0 HA SER A 355 80.211 12.944 -1.196 1.00 0.00 H new ATOM 0 HB2 SER A 355 81.065 14.005 -3.897 1.00 0.00 H new ATOM 0 HB3 SER A 355 79.362 13.717 -3.596 1.00 0.00 H new ATOM 0 HG SER A 355 81.127 15.337 -1.997 1.00 0.00 H new ATOM 484 N SER A 356 78.867 11.391 -3.042 1.00 0.00 N ATOM 485 CA SER A 356 78.255 10.173 -3.580 1.00 0.00 C ATOM 486 C SER A 356 77.231 10.513 -4.660 1.00 0.00 C ATOM 487 O SER A 356 76.173 9.890 -4.743 1.00 0.00 O ATOM 488 CB SER A 356 77.570 9.400 -2.455 1.00 0.00 C ATOM 489 OG SER A 356 76.766 8.370 -3.015 1.00 0.00 O ATOM 0 H SER A 356 78.225 12.177 -2.939 1.00 0.00 H new ATOM 0 HA SER A 356 79.040 9.560 -4.023 1.00 0.00 H new ATOM 0 HB2 SER A 356 78.316 8.972 -1.786 1.00 0.00 H new ATOM 0 HB3 SER A 356 76.955 10.073 -1.858 1.00 0.00 H new ATOM 0 HG SER A 356 75.948 8.760 -3.388 1.00 0.00 H new ATOM 495 N ASN A 357 77.555 11.502 -5.487 1.00 0.00 N ATOM 496 CA ASN A 357 76.655 11.917 -6.561 1.00 0.00 C ATOM 497 C ASN A 357 77.433 12.604 -7.679 1.00 0.00 C ATOM 498 O ASN A 357 78.234 13.503 -7.428 1.00 0.00 O ATOM 499 CB ASN A 357 75.595 12.872 -6.009 1.00 0.00 C ATOM 500 CG ASN A 357 74.589 12.101 -5.160 1.00 0.00 C ATOM 501 OD1 ASN A 357 73.971 11.150 -5.640 1.00 0.00 O ATOM 502 ND2 ASN A 357 74.388 12.456 -3.921 1.00 0.00 N ATOM 0 H ASN A 357 78.427 12.029 -5.436 1.00 0.00 H new ATOM 0 HA ASN A 357 76.169 11.030 -6.968 1.00 0.00 H new ATOM 0 HB2 ASN A 357 76.070 13.648 -5.409 1.00 0.00 H new ATOM 0 HB3 ASN A 357 75.082 13.373 -6.830 1.00 0.00 H new ATOM 0 HD21 ASN A 357 73.717 11.945 -3.347 1.00 0.00 H new ATOM 0 HD22 ASN A 357 74.902 13.244 -3.527 1.00 0.00 H new ATOM 509 N TYR A 358 77.189 12.174 -8.913 1.00 0.00 N ATOM 510 CA TYR A 358 77.873 12.756 -10.063 1.00 0.00 C ATOM 511 C TYR A 358 77.303 14.135 -10.382 1.00 0.00 C ATOM 512 O TYR A 358 78.037 15.119 -10.452 1.00 0.00 O ATOM 513 CB TYR A 358 77.718 11.842 -11.280 1.00 0.00 C ATOM 514 CG TYR A 358 78.511 12.406 -12.436 1.00 0.00 C ATOM 515 CD1 TYR A 358 77.975 13.439 -13.213 1.00 0.00 C ATOM 516 CD2 TYR A 358 79.781 11.894 -12.732 1.00 0.00 C ATOM 517 CE1 TYR A 358 78.708 13.962 -14.285 1.00 0.00 C ATOM 518 CE2 TYR A 358 80.514 12.417 -13.803 1.00 0.00 C ATOM 519 CZ TYR A 358 79.977 13.451 -14.580 1.00 0.00 C ATOM 520 OH TYR A 358 80.700 13.967 -15.636 1.00 0.00 O ATOM 0 H TYR A 358 76.529 11.431 -9.142 1.00 0.00 H new ATOM 0 HA TYR A 358 78.931 12.860 -9.820 1.00 0.00 H new ATOM 0 HB2 TYR A 358 78.067 10.838 -11.041 1.00 0.00 H new ATOM 0 HB3 TYR A 358 76.666 11.757 -11.553 1.00 0.00 H new ATOM 0 HD1 TYR A 358 76.995 13.833 -12.986 1.00 0.00 H new ATOM 0 HD2 TYR A 358 80.194 11.096 -12.134 1.00 0.00 H new ATOM 0 HE1 TYR A 358 78.294 14.760 -14.884 1.00 0.00 H new ATOM 0 HE2 TYR A 358 81.494 12.023 -14.030 1.00 0.00 H new ATOM 0 HH TYR A 358 81.560 13.501 -15.702 1.00 0.00 H new ATOM 530 N ASP A 359 75.990 14.199 -10.575 1.00 0.00 N ATOM 531 CA ASP A 359 75.338 15.465 -10.885 1.00 0.00 C ATOM 532 C ASP A 359 75.760 16.540 -9.888 1.00 0.00 C ATOM 533 O ASP A 359 76.253 17.600 -10.273 1.00 0.00 O ATOM 534 CB ASP A 359 73.818 15.294 -10.841 1.00 0.00 C ATOM 535 CG ASP A 359 73.365 14.378 -11.973 1.00 0.00 C ATOM 536 OD1 ASP A 359 73.601 14.722 -13.119 1.00 0.00 O ATOM 537 OD2 ASP A 359 72.788 13.344 -11.676 1.00 0.00 O ATOM 0 H ASP A 359 75.362 13.397 -10.523 1.00 0.00 H new ATOM 0 HA ASP A 359 75.639 15.774 -11.886 1.00 0.00 H new ATOM 0 HB2 ASP A 359 73.518 14.875 -9.880 1.00 0.00 H new ATOM 0 HB3 ASP A 359 73.331 16.265 -10.931 1.00 0.00 H new ATOM 542 N ASN A 360 75.562 16.258 -8.604 1.00 0.00 N ATOM 543 CA ASN A 360 75.926 17.207 -7.558 1.00 0.00 C ATOM 544 C ASN A 360 77.418 17.521 -7.613 1.00 0.00 C ATOM 545 O ASN A 360 77.827 18.667 -7.428 1.00 0.00 O ATOM 546 CB ASN A 360 75.571 16.633 -6.184 1.00 0.00 C ATOM 547 CG ASN A 360 74.196 15.976 -6.233 1.00 0.00 C ATOM 548 OD1 ASN A 360 73.935 15.026 -5.496 1.00 0.00 O ATOM 549 ND2 ASN A 360 73.296 16.430 -7.062 1.00 0.00 N ATOM 0 H ASN A 360 75.155 15.387 -8.265 1.00 0.00 H new ATOM 0 HA ASN A 360 75.368 18.129 -7.720 1.00 0.00 H new ATOM 0 HB2 ASN A 360 76.321 15.903 -5.881 1.00 0.00 H new ATOM 0 HB3 ASN A 360 75.578 17.426 -5.436 1.00 0.00 H new ATOM 0 HD21 ASN A 360 72.373 15.997 -7.100 1.00 0.00 H new ATOM 0 HD22 ASN A 360 73.515 17.218 -7.672 1.00 0.00 H new ATOM 556 N LEU A 361 78.226 16.496 -7.868 1.00 0.00 N ATOM 557 CA LEU A 361 79.671 16.680 -7.944 1.00 0.00 C ATOM 558 C LEU A 361 80.019 17.663 -9.056 1.00 0.00 C ATOM 559 O LEU A 361 80.690 18.668 -8.820 1.00 0.00 O ATOM 560 CB LEU A 361 80.358 15.329 -8.196 1.00 0.00 C ATOM 561 CG LEU A 361 81.852 15.531 -8.498 1.00 0.00 C ATOM 562 CD1 LEU A 361 82.498 16.399 -7.407 1.00 0.00 C ATOM 563 CD2 LEU A 361 82.551 14.164 -8.567 1.00 0.00 C ATOM 0 H LEU A 361 77.909 15.539 -8.024 1.00 0.00 H new ATOM 0 HA LEU A 361 80.026 17.086 -6.997 1.00 0.00 H new ATOM 0 HB2 LEU A 361 80.241 14.687 -7.323 1.00 0.00 H new ATOM 0 HB3 LEU A 361 79.878 14.821 -9.032 1.00 0.00 H new ATOM 0 HG LEU A 361 81.959 16.038 -9.457 1.00 0.00 H new ATOM 0 HD11 LEU A 361 83.556 16.536 -7.630 1.00 0.00 H new ATOM 0 HD12 LEU A 361 82.005 17.371 -7.376 1.00 0.00 H new ATOM 0 HD13 LEU A 361 82.392 15.907 -6.440 1.00 0.00 H new ATOM 0 HD21 LEU A 361 83.610 14.307 -8.781 1.00 0.00 H new ATOM 0 HD22 LEU A 361 82.440 13.650 -7.612 1.00 0.00 H new ATOM 0 HD23 LEU A 361 82.099 13.564 -9.357 1.00 0.00 H new ATOM 575 N ASN A 362 79.559 17.370 -10.270 1.00 0.00 N ATOM 576 CA ASN A 362 79.829 18.240 -11.410 1.00 0.00 C ATOM 577 C ASN A 362 79.678 19.705 -11.010 1.00 0.00 C ATOM 578 O ASN A 362 80.482 20.552 -11.396 1.00 0.00 O ATOM 579 CB ASN A 362 78.863 17.916 -12.552 1.00 0.00 C ATOM 580 CG ASN A 362 79.133 18.831 -13.741 1.00 0.00 C ATOM 581 OD1 ASN A 362 78.669 20.050 -13.732 1.00 0.00 O flip ATOM 582 ND2 ASN A 362 79.785 18.424 -14.703 1.00 0.00 N flip ATOM 0 H ASN A 362 79.002 16.544 -10.488 1.00 0.00 H new ATOM 0 HA ASN A 362 80.853 18.070 -11.742 1.00 0.00 H new ATOM 0 HB2 ASN A 362 78.978 16.874 -12.851 1.00 0.00 H new ATOM 0 HB3 ASN A 362 77.834 18.039 -12.214 1.00 0.00 H new ATOM 0 HD21 ASN A 362 80.147 17.470 -14.707 1.00 0.00 H new ATOM 0 HD22 ASN A 362 79.964 19.041 -15.496 1.00 0.00 H new ATOM 589 N GLY A 363 78.643 19.990 -10.229 1.00 0.00 N ATOM 590 CA GLY A 363 78.395 21.350 -9.774 1.00 0.00 C ATOM 591 C GLY A 363 79.616 21.915 -9.055 1.00 0.00 C ATOM 592 O GLY A 363 80.112 22.986 -9.404 1.00 0.00 O ATOM 0 H GLY A 363 77.966 19.301 -9.900 1.00 0.00 H new ATOM 0 HA2 GLY A 363 78.145 21.983 -10.626 1.00 0.00 H new ATOM 0 HA3 GLY A 363 77.535 21.362 -9.104 1.00 0.00 H new ATOM 596 N TRP A 364 80.093 21.193 -8.045 1.00 0.00 N ATOM 597 CA TRP A 364 81.253 21.642 -7.282 1.00 0.00 C ATOM 598 C TRP A 364 82.497 21.709 -8.163 1.00 0.00 C ATOM 599 O TRP A 364 83.026 22.788 -8.423 1.00 0.00 O ATOM 600 CB TRP A 364 81.521 20.694 -6.109 1.00 0.00 C ATOM 601 CG TRP A 364 82.651 21.242 -5.299 1.00 0.00 C ATOM 602 CD1 TRP A 364 82.628 22.431 -4.654 1.00 0.00 C ATOM 603 CD2 TRP A 364 83.965 20.660 -5.044 1.00 0.00 C ATOM 604 NE1 TRP A 364 83.845 22.619 -4.020 1.00 0.00 N ATOM 605 CE2 TRP A 364 84.700 21.557 -4.230 1.00 0.00 C ATOM 606 CE3 TRP A 364 84.588 19.455 -5.431 1.00 0.00 C ATOM 607 CZ2 TRP A 364 86.001 21.274 -3.820 1.00 0.00 C ATOM 608 CZ3 TRP A 364 85.900 19.171 -5.017 1.00 0.00 C ATOM 609 CH2 TRP A 364 86.604 20.079 -4.215 1.00 0.00 C ATOM 0 H TRP A 364 79.699 20.304 -7.738 1.00 0.00 H new ATOM 0 HA TRP A 364 81.032 22.640 -6.904 1.00 0.00 H new ATOM 0 HB2 TRP A 364 80.628 20.594 -5.492 1.00 0.00 H new ATOM 0 HB3 TRP A 364 81.768 19.698 -6.477 1.00 0.00 H new ATOM 0 HD1 TRP A 364 81.797 23.121 -4.636 1.00 0.00 H new ATOM 0 HE1 TRP A 364 84.080 23.442 -3.466 1.00 0.00 H new ATOM 0 HE3 TRP A 364 84.054 18.748 -6.048 1.00 0.00 H new ATOM 0 HZ2 TRP A 364 86.540 21.975 -3.200 1.00 0.00 H new ATOM 0 HZ3 TRP A 364 86.369 18.246 -5.319 1.00 0.00 H new ATOM 0 HH2 TRP A 364 87.613 19.854 -3.903 1.00 0.00 H new ATOM 620 N ALA A 365 82.962 20.544 -8.608 1.00 0.00 N ATOM 621 CA ALA A 365 84.155 20.466 -9.450 1.00 0.00 C ATOM 622 C ALA A 365 84.222 21.630 -10.439 1.00 0.00 C ATOM 623 O ALA A 365 85.239 22.317 -10.531 1.00 0.00 O ATOM 624 CB ALA A 365 84.159 19.144 -10.221 1.00 0.00 C ATOM 0 H ALA A 365 82.533 19.642 -8.401 1.00 0.00 H new ATOM 0 HA ALA A 365 85.027 20.522 -8.798 1.00 0.00 H new ATOM 0 HB1 ALA A 365 85.050 19.091 -10.847 1.00 0.00 H new ATOM 0 HB2 ALA A 365 84.160 18.312 -9.517 1.00 0.00 H new ATOM 0 HB3 ALA A 365 83.270 19.087 -10.849 1.00 0.00 H new ATOM 630 N LYS A 366 83.137 21.845 -11.176 1.00 0.00 N ATOM 631 CA LYS A 366 83.096 22.928 -12.153 1.00 0.00 C ATOM 632 C LYS A 366 83.096 24.285 -11.456 1.00 0.00 C ATOM 633 O LYS A 366 83.719 25.235 -11.929 1.00 0.00 O ATOM 634 CB LYS A 366 81.846 22.801 -13.029 1.00 0.00 C ATOM 635 CG LYS A 366 81.961 21.555 -13.919 1.00 0.00 C ATOM 636 CD LYS A 366 80.859 21.569 -14.999 1.00 0.00 C ATOM 637 CE LYS A 366 81.340 22.334 -16.239 1.00 0.00 C ATOM 638 NZ LYS A 366 80.182 22.597 -17.140 1.00 0.00 N ATOM 0 H LYS A 366 82.283 21.291 -11.117 1.00 0.00 H new ATOM 0 HA LYS A 366 83.985 22.855 -12.779 1.00 0.00 H new ATOM 0 HB2 LYS A 366 80.957 22.731 -12.402 1.00 0.00 H new ATOM 0 HB3 LYS A 366 81.731 23.692 -13.647 1.00 0.00 H new ATOM 0 HG2 LYS A 366 82.943 21.526 -14.391 1.00 0.00 H new ATOM 0 HG3 LYS A 366 81.873 20.655 -13.311 1.00 0.00 H new ATOM 0 HD2 LYS A 366 80.595 20.547 -15.273 1.00 0.00 H new ATOM 0 HD3 LYS A 366 79.957 22.035 -14.602 1.00 0.00 H new ATOM 0 HE2 LYS A 366 81.804 23.274 -15.942 1.00 0.00 H new ATOM 0 HE3 LYS A 366 82.100 21.755 -16.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 366 80.507 23.116 -17.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 366 79.758 21.694 -17.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 366 79.472 23.166 -16.636 1.00 0.00 H new ATOM 652 N LYS A 367 82.396 24.371 -10.328 1.00 0.00 N ATOM 653 CA LYS A 367 82.329 25.622 -9.580 1.00 0.00 C ATOM 654 C LYS A 367 83.696 25.967 -8.999 1.00 0.00 C ATOM 655 O LYS A 367 84.261 27.020 -9.296 1.00 0.00 O ATOM 656 CB LYS A 367 81.307 25.505 -8.450 1.00 0.00 C ATOM 657 CG LYS A 367 81.223 26.833 -7.694 1.00 0.00 C ATOM 658 CD LYS A 367 79.976 26.838 -6.808 1.00 0.00 C ATOM 659 CE LYS A 367 79.860 28.186 -6.096 1.00 0.00 C ATOM 660 NZ LYS A 367 81.099 28.440 -5.308 1.00 0.00 N ATOM 0 H LYS A 367 81.873 23.599 -9.916 1.00 0.00 H new ATOM 0 HA LYS A 367 82.022 26.415 -10.262 1.00 0.00 H new ATOM 0 HB2 LYS A 367 80.330 25.243 -8.856 1.00 0.00 H new ATOM 0 HB3 LYS A 367 81.594 24.704 -7.768 1.00 0.00 H new ATOM 0 HG2 LYS A 367 82.116 26.974 -7.085 1.00 0.00 H new ATOM 0 HG3 LYS A 367 81.184 27.663 -8.399 1.00 0.00 H new ATOM 0 HD2 LYS A 367 79.087 26.657 -7.412 1.00 0.00 H new ATOM 0 HD3 LYS A 367 80.034 26.032 -6.076 1.00 0.00 H new ATOM 0 HE2 LYS A 367 79.710 28.983 -6.825 1.00 0.00 H new ATOM 0 HE3 LYS A 367 78.991 28.188 -5.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 367 80.914 29.178 -4.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 367 81.391 27.564 -4.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 367 81.857 28.756 -5.946 1.00 0.00 H new ATOM 674 N GLU A 368 84.226 25.071 -8.171 1.00 0.00 N ATOM 675 CA GLU A 368 85.530 25.291 -7.558 1.00 0.00 C ATOM 676 C GLU A 368 86.578 25.571 -8.633 1.00 0.00 C ATOM 677 O GLU A 368 87.660 26.080 -8.343 1.00 0.00 O ATOM 678 CB GLU A 368 85.937 24.057 -6.744 1.00 0.00 C ATOM 679 CG GLU A 368 87.052 24.426 -5.762 1.00 0.00 C ATOM 680 CD GLU A 368 86.497 25.310 -4.650 1.00 0.00 C ATOM 681 OE1 GLU A 368 85.696 24.818 -3.873 1.00 0.00 O ATOM 682 OE2 GLU A 368 86.883 26.466 -4.591 1.00 0.00 O ATOM 0 H GLU A 368 83.776 24.193 -7.911 1.00 0.00 H new ATOM 0 HA GLU A 368 85.466 26.154 -6.895 1.00 0.00 H new ATOM 0 HB2 GLU A 368 85.076 23.669 -6.201 1.00 0.00 H new ATOM 0 HB3 GLU A 368 86.276 23.265 -7.412 1.00 0.00 H new ATOM 0 HG2 GLU A 368 87.487 23.522 -5.336 1.00 0.00 H new ATOM 0 HG3 GLU A 368 87.852 24.947 -6.287 1.00 0.00 H new ATOM 689 N ASN A 369 86.239 25.237 -9.875 1.00 0.00 N ATOM 690 CA ASN A 369 87.147 25.458 -10.995 1.00 0.00 C ATOM 691 C ASN A 369 88.422 24.635 -10.837 1.00 0.00 C ATOM 692 O ASN A 369 89.526 25.145 -11.025 1.00 0.00 O ATOM 693 CB ASN A 369 87.504 26.944 -11.096 1.00 0.00 C ATOM 694 CG ASN A 369 88.098 27.249 -12.468 1.00 0.00 C ATOM 695 OD1 ASN A 369 89.260 27.642 -12.569 1.00 0.00 O ATOM 696 ND2 ASN A 369 87.365 27.090 -13.536 1.00 0.00 N ATOM 0 H ASN A 369 85.346 24.814 -10.130 1.00 0.00 H new ATOM 0 HA ASN A 369 86.641 25.142 -11.907 1.00 0.00 H new ATOM 0 HB2 ASN A 369 86.614 27.552 -10.933 1.00 0.00 H new ATOM 0 HB3 ASN A 369 88.217 27.208 -10.315 1.00 0.00 H new ATOM 0 HD21 ASN A 369 87.755 27.292 -14.457 1.00 0.00 H new ATOM 0 HD22 ASN A 369 86.402 26.764 -13.450 1.00 0.00 H new ATOM 703 N LEU A 370 88.265 23.359 -10.497 1.00 0.00 N ATOM 704 CA LEU A 370 89.418 22.481 -10.327 1.00 0.00 C ATOM 705 C LEU A 370 90.207 22.391 -11.630 1.00 0.00 C ATOM 706 O LEU A 370 89.724 21.845 -12.621 1.00 0.00 O ATOM 707 CB LEU A 370 88.963 21.079 -9.911 1.00 0.00 C ATOM 708 CG LEU A 370 87.945 21.176 -8.771 1.00 0.00 C ATOM 709 CD1 LEU A 370 87.515 19.765 -8.358 1.00 0.00 C ATOM 710 CD2 LEU A 370 88.579 21.890 -7.570 1.00 0.00 C ATOM 0 H LEU A 370 87.362 22.914 -10.335 1.00 0.00 H new ATOM 0 HA LEU A 370 90.055 22.897 -9.546 1.00 0.00 H new ATOM 0 HB2 LEU A 370 88.519 20.564 -10.763 1.00 0.00 H new ATOM 0 HB3 LEU A 370 89.822 20.488 -9.593 1.00 0.00 H new ATOM 0 HG LEU A 370 87.076 21.742 -9.107 1.00 0.00 H new ATOM 0 HD11 LEU A 370 86.790 19.828 -7.546 1.00 0.00 H new ATOM 0 HD12 LEU A 370 87.062 19.259 -9.210 1.00 0.00 H new ATOM 0 HD13 LEU A 370 88.386 19.203 -8.023 1.00 0.00 H new ATOM 0 HD21 LEU A 370 87.852 21.957 -6.761 1.00 0.00 H new ATOM 0 HD22 LEU A 370 89.449 21.328 -7.230 1.00 0.00 H new ATOM 0 HD23 LEU A 370 88.888 22.893 -7.864 1.00 0.00 H new ATOM 722 N LYS A 371 91.423 22.930 -11.622 1.00 0.00 N ATOM 723 CA LYS A 371 92.267 22.904 -12.811 1.00 0.00 C ATOM 724 C LYS A 371 92.960 21.552 -12.950 1.00 0.00 C ATOM 725 O LYS A 371 93.273 20.901 -11.953 1.00 0.00 O ATOM 726 CB LYS A 371 93.321 24.011 -12.726 1.00 0.00 C ATOM 727 CG LYS A 371 92.642 25.334 -12.360 1.00 0.00 C ATOM 728 CD LYS A 371 93.697 26.437 -12.262 1.00 0.00 C ATOM 729 CE LYS A 371 93.030 27.745 -11.828 1.00 0.00 C ATOM 730 NZ LYS A 371 91.787 27.955 -12.622 1.00 0.00 N ATOM 0 H LYS A 371 91.843 23.386 -10.812 1.00 0.00 H new ATOM 0 HA LYS A 371 91.635 23.067 -13.684 1.00 0.00 H new ATOM 0 HB2 LYS A 371 94.072 23.756 -11.978 1.00 0.00 H new ATOM 0 HB3 LYS A 371 93.840 24.108 -13.679 1.00 0.00 H new ATOM 0 HG2 LYS A 371 91.897 25.594 -13.113 1.00 0.00 H new ATOM 0 HG3 LYS A 371 92.115 25.235 -11.411 1.00 0.00 H new ATOM 0 HD2 LYS A 371 94.468 26.155 -11.545 1.00 0.00 H new ATOM 0 HD3 LYS A 371 94.190 26.570 -13.225 1.00 0.00 H new ATOM 0 HE2 LYS A 371 92.794 27.710 -10.765 1.00 0.00 H new ATOM 0 HE3 LYS A 371 93.714 28.581 -11.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 371 91.622 28.974 -12.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 371 91.891 27.506 -13.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 371 90.980 27.532 -12.122 1.00 0.00 H new ATOM 744 N ASN A 372 93.188 21.134 -14.192 1.00 0.00 N ATOM 745 CA ASN A 372 93.839 19.854 -14.460 1.00 0.00 C ATOM 746 C ASN A 372 93.295 18.768 -13.538 1.00 0.00 C ATOM 747 O ASN A 372 93.752 18.611 -12.406 1.00 0.00 O ATOM 748 CB ASN A 372 95.354 19.982 -14.269 1.00 0.00 C ATOM 749 CG ASN A 372 95.674 20.369 -12.829 1.00 0.00 C ATOM 750 OD1 ASN A 372 95.638 21.549 -12.481 1.00 0.00 O ATOM 751 ND2 ASN A 372 95.986 19.441 -11.967 1.00 0.00 N ATOM 0 H ASN A 372 92.933 21.661 -15.027 1.00 0.00 H new ATOM 0 HA ASN A 372 93.628 19.574 -15.492 1.00 0.00 H new ATOM 0 HB2 ASN A 372 95.840 19.038 -14.516 1.00 0.00 H new ATOM 0 HB3 ASN A 372 95.752 20.733 -14.952 1.00 0.00 H new ATOM 0 HD21 ASN A 372 96.201 19.693 -11.002 1.00 0.00 H new ATOM 0 HD22 ASN A 372 96.015 18.464 -12.258 1.00 0.00 H new ATOM 758 N TYR A 373 92.312 18.021 -14.034 1.00 0.00 N ATOM 759 CA TYR A 373 91.707 16.950 -13.250 1.00 0.00 C ATOM 760 C TYR A 373 90.997 15.955 -14.161 1.00 0.00 C ATOM 761 O TYR A 373 90.795 16.220 -15.347 1.00 0.00 O ATOM 762 CB TYR A 373 90.703 17.539 -12.256 1.00 0.00 C ATOM 763 CG TYR A 373 89.565 18.182 -13.012 1.00 0.00 C ATOM 764 CD1 TYR A 373 89.751 19.424 -13.632 1.00 0.00 C ATOM 765 CD2 TYR A 373 88.324 17.538 -13.098 1.00 0.00 C ATOM 766 CE1 TYR A 373 88.698 20.022 -14.334 1.00 0.00 C ATOM 767 CE2 TYR A 373 87.271 18.136 -13.800 1.00 0.00 C ATOM 768 CZ TYR A 373 87.458 19.379 -14.418 1.00 0.00 C ATOM 769 OH TYR A 373 86.420 19.968 -15.110 1.00 0.00 O ATOM 0 H TYR A 373 91.920 18.137 -14.969 1.00 0.00 H new ATOM 0 HA TYR A 373 92.496 16.429 -12.708 1.00 0.00 H new ATOM 0 HB2 TYR A 373 90.322 16.756 -11.600 1.00 0.00 H new ATOM 0 HB3 TYR A 373 91.194 18.276 -11.620 1.00 0.00 H new ATOM 0 HD1 TYR A 373 90.708 19.921 -13.568 1.00 0.00 H new ATOM 0 HD2 TYR A 373 88.180 16.579 -12.622 1.00 0.00 H new ATOM 0 HE1 TYR A 373 88.843 20.980 -14.811 1.00 0.00 H new ATOM 0 HE2 TYR A 373 86.314 17.639 -13.865 1.00 0.00 H new ATOM 0 HH TYR A 373 85.631 19.389 -15.071 1.00 0.00 H new ATOM 779 N VAL A 374 90.621 14.807 -13.600 1.00 0.00 N ATOM 780 CA VAL A 374 89.931 13.767 -14.366 1.00 0.00 C ATOM 781 C VAL A 374 88.818 13.141 -13.534 1.00 0.00 C ATOM 782 O VAL A 374 89.034 12.738 -12.392 1.00 0.00 O ATOM 783 CB VAL A 374 90.929 12.682 -14.778 1.00 0.00 C ATOM 784 CG1 VAL A 374 90.302 11.790 -15.851 1.00 0.00 C ATOM 785 CG2 VAL A 374 92.192 13.340 -15.338 1.00 0.00 C ATOM 0 H VAL A 374 90.781 14.572 -12.620 1.00 0.00 H new ATOM 0 HA VAL A 374 89.494 14.222 -15.255 1.00 0.00 H new ATOM 0 HB VAL A 374 91.187 12.077 -13.909 1.00 0.00 H new ATOM 0 HG11 VAL A 374 91.014 11.018 -16.144 1.00 0.00 H new ATOM 0 HG12 VAL A 374 89.401 11.322 -15.454 1.00 0.00 H new ATOM 0 HG13 VAL A 374 90.044 12.394 -16.721 1.00 0.00 H new ATOM 0 HG21 VAL A 374 92.904 12.569 -15.632 1.00 0.00 H new ATOM 0 HG22 VAL A 374 91.933 13.945 -16.207 1.00 0.00 H new ATOM 0 HG23 VAL A 374 92.640 13.976 -14.574 1.00 0.00 H new ATOM 795 N VAL A 375 87.621 13.063 -14.117 1.00 0.00 N ATOM 796 CA VAL A 375 86.466 12.483 -13.429 1.00 0.00 C ATOM 797 C VAL A 375 86.293 11.018 -13.820 1.00 0.00 C ATOM 798 O VAL A 375 86.241 10.686 -15.004 1.00 0.00 O ATOM 799 CB VAL A 375 85.201 13.262 -13.795 1.00 0.00 C ATOM 800 CG1 VAL A 375 84.080 12.914 -12.815 1.00 0.00 C ATOM 801 CG2 VAL A 375 85.491 14.763 -13.724 1.00 0.00 C ATOM 0 H VAL A 375 87.426 13.393 -15.062 1.00 0.00 H new ATOM 0 HA VAL A 375 86.635 12.544 -12.354 1.00 0.00 H new ATOM 0 HB VAL A 375 84.892 12.996 -14.806 1.00 0.00 H new ATOM 0 HG11 VAL A 375 83.181 13.471 -13.079 1.00 0.00 H new ATOM 0 HG12 VAL A 375 83.873 11.845 -12.864 1.00 0.00 H new ATOM 0 HG13 VAL A 375 84.387 13.178 -11.803 1.00 0.00 H new ATOM 0 HG21 VAL A 375 84.591 15.320 -13.984 1.00 0.00 H new ATOM 0 HG22 VAL A 375 85.801 15.026 -12.713 1.00 0.00 H new ATOM 0 HG23 VAL A 375 86.288 15.013 -14.424 1.00 0.00 H new ATOM 811 N TYR A 376 86.209 10.145 -12.818 1.00 0.00 N ATOM 812 CA TYR A 376 86.047 8.715 -13.070 1.00 0.00 C ATOM 813 C TYR A 376 85.370 8.033 -11.884 1.00 0.00 C ATOM 814 O TYR A 376 85.060 8.676 -10.883 1.00 0.00 O ATOM 815 CB TYR A 376 87.415 8.074 -13.325 1.00 0.00 C ATOM 816 CG TYR A 376 88.351 8.384 -12.176 1.00 0.00 C ATOM 817 CD1 TYR A 376 88.856 9.680 -12.013 1.00 0.00 C ATOM 818 CD2 TYR A 376 88.714 7.376 -11.274 1.00 0.00 C ATOM 819 CE1 TYR A 376 89.721 9.966 -10.949 1.00 0.00 C ATOM 820 CE2 TYR A 376 89.579 7.662 -10.212 1.00 0.00 C ATOM 821 CZ TYR A 376 90.082 8.957 -10.050 1.00 0.00 C ATOM 822 OH TYR A 376 90.936 9.240 -9.002 1.00 0.00 O ATOM 0 H TYR A 376 86.250 10.400 -11.831 1.00 0.00 H new ATOM 0 HA TYR A 376 85.417 8.587 -13.950 1.00 0.00 H new ATOM 0 HB2 TYR A 376 87.306 6.995 -13.436 1.00 0.00 H new ATOM 0 HB3 TYR A 376 87.834 8.450 -14.258 1.00 0.00 H new ATOM 0 HD1 TYR A 376 88.579 10.459 -12.708 1.00 0.00 H new ATOM 0 HD2 TYR A 376 88.326 6.376 -11.398 1.00 0.00 H new ATOM 0 HE1 TYR A 376 90.109 10.966 -10.823 1.00 0.00 H new ATOM 0 HE2 TYR A 376 89.858 6.883 -9.518 1.00 0.00 H new ATOM 0 HH TYR A 376 91.083 8.429 -8.472 1.00 0.00 H new ATOM 832 N GLU A 377 85.139 6.726 -12.007 1.00 0.00 N ATOM 833 CA GLU A 377 84.493 5.960 -10.940 1.00 0.00 C ATOM 834 C GLU A 377 85.531 5.424 -9.959 1.00 0.00 C ATOM 835 O GLU A 377 86.666 5.141 -10.338 1.00 0.00 O ATOM 836 CB GLU A 377 83.704 4.788 -11.536 1.00 0.00 C ATOM 837 CG GLU A 377 84.585 4.013 -12.529 1.00 0.00 C ATOM 838 CD GLU A 377 84.590 4.708 -13.889 1.00 0.00 C ATOM 839 OE1 GLU A 377 83.524 4.853 -14.463 1.00 0.00 O ATOM 840 OE2 GLU A 377 85.662 5.084 -14.335 1.00 0.00 O ATOM 0 H GLU A 377 85.388 6.177 -12.830 1.00 0.00 H new ATOM 0 HA GLU A 377 83.812 6.624 -10.408 1.00 0.00 H new ATOM 0 HB2 GLU A 377 83.367 4.123 -10.740 1.00 0.00 H new ATOM 0 HB3 GLU A 377 82.812 5.159 -12.041 1.00 0.00 H new ATOM 0 HG2 GLU A 377 85.603 3.944 -12.145 1.00 0.00 H new ATOM 0 HG3 GLU A 377 84.214 2.994 -12.636 1.00 0.00 H new ATOM 847 N THR A 378 85.136 5.282 -8.695 1.00 0.00 N ATOM 848 CA THR A 378 86.050 4.778 -7.668 1.00 0.00 C ATOM 849 C THR A 378 85.277 4.038 -6.577 1.00 0.00 C ATOM 850 O THR A 378 84.105 3.713 -6.745 1.00 0.00 O ATOM 851 CB THR A 378 86.838 5.958 -7.053 1.00 0.00 C ATOM 852 OG1 THR A 378 86.818 7.054 -7.955 1.00 0.00 O ATOM 853 CG2 THR A 378 88.287 5.555 -6.785 1.00 0.00 C ATOM 0 H THR A 378 84.200 5.506 -8.358 1.00 0.00 H new ATOM 0 HA THR A 378 86.747 4.078 -8.129 1.00 0.00 H new ATOM 0 HB THR A 378 86.370 6.238 -6.109 1.00 0.00 H new ATOM 0 HG1 THR A 378 85.943 7.493 -7.917 1.00 0.00 H new ATOM 0 HG21 THR A 378 88.825 6.398 -6.352 1.00 0.00 H new ATOM 0 HG22 THR A 378 88.309 4.716 -6.090 1.00 0.00 H new ATOM 0 HG23 THR A 378 88.763 5.263 -7.721 1.00 0.00 H new ATOM 861 N THR A 379 85.957 3.777 -5.459 1.00 0.00 N ATOM 862 CA THR A 379 85.349 3.077 -4.324 1.00 0.00 C ATOM 863 C THR A 379 85.498 3.905 -3.052 1.00 0.00 C ATOM 864 O THR A 379 86.467 4.646 -2.893 1.00 0.00 O ATOM 865 CB THR A 379 86.022 1.718 -4.129 1.00 0.00 C ATOM 866 OG1 THR A 379 87.403 1.911 -3.854 1.00 0.00 O ATOM 867 CG2 THR A 379 85.862 0.879 -5.397 1.00 0.00 C ATOM 0 H THR A 379 86.932 4.040 -5.314 1.00 0.00 H new ATOM 0 HA THR A 379 84.289 2.930 -4.532 1.00 0.00 H new ATOM 0 HB THR A 379 85.555 1.197 -3.293 1.00 0.00 H new ATOM 0 HG1 THR A 379 87.836 1.041 -3.727 1.00 0.00 H new ATOM 0 HG21 THR A 379 86.342 -0.089 -5.256 1.00 0.00 H new ATOM 0 HG22 THR A 379 84.802 0.731 -5.604 1.00 0.00 H new ATOM 0 HG23 THR A 379 86.327 1.396 -6.236 1.00 0.00 H new ATOM 875 N ARG A 380 84.532 3.774 -2.150 1.00 0.00 N ATOM 876 CA ARG A 380 84.568 4.516 -0.894 1.00 0.00 C ATOM 877 C ARG A 380 83.509 3.988 0.069 1.00 0.00 C ATOM 878 O ARG A 380 82.356 4.417 0.031 1.00 0.00 O ATOM 879 CB ARG A 380 84.321 6.001 -1.156 1.00 0.00 C ATOM 880 CG ARG A 380 84.455 6.776 0.157 1.00 0.00 C ATOM 881 CD ARG A 380 84.444 8.278 -0.130 1.00 0.00 C ATOM 882 NE ARG A 380 84.652 9.028 1.103 1.00 0.00 N ATOM 883 CZ ARG A 380 83.709 9.087 2.039 1.00 0.00 C ATOM 884 NH1 ARG A 380 82.574 8.469 1.861 1.00 0.00 N ATOM 885 NH2 ARG A 380 83.920 9.763 3.136 1.00 0.00 N ATOM 0 H ARG A 380 83.720 3.166 -2.263 1.00 0.00 H new ATOM 0 HA ARG A 380 85.553 4.385 -0.446 1.00 0.00 H new ATOM 0 HB2 ARG A 380 85.036 6.377 -1.888 1.00 0.00 H new ATOM 0 HB3 ARG A 380 83.327 6.147 -1.578 1.00 0.00 H new ATOM 0 HG2 ARG A 380 83.636 6.518 0.828 1.00 0.00 H new ATOM 0 HG3 ARG A 380 85.380 6.499 0.662 1.00 0.00 H new ATOM 0 HD2 ARG A 380 85.225 8.524 -0.850 1.00 0.00 H new ATOM 0 HD3 ARG A 380 83.493 8.562 -0.581 1.00 0.00 H new ATOM 0 HE ARG A 380 85.536 9.516 1.250 1.00 0.00 H new ATOM 0 HH11 ARG A 380 82.410 7.941 1.004 1.00 0.00 H new ATOM 0 HH12 ARG A 380 81.851 8.514 2.579 1.00 0.00 H new ATOM 0 HH21 ARG A 380 84.808 10.246 3.275 1.00 0.00 H new ATOM 0 HH22 ARG A 380 83.197 9.808 3.854 1.00 0.00 H new ATOM 899 N ASN A 381 83.907 3.058 0.931 1.00 0.00 N ATOM 900 CA ASN A 381 82.979 2.483 1.899 1.00 0.00 C ATOM 901 C ASN A 381 81.816 1.799 1.187 1.00 0.00 C ATOM 902 O ASN A 381 80.705 2.327 1.148 1.00 0.00 O ATOM 903 CB ASN A 381 82.441 3.577 2.823 1.00 0.00 C ATOM 904 CG ASN A 381 81.778 2.950 4.044 1.00 0.00 C ATOM 905 OD1 ASN A 381 82.240 3.141 5.169 1.00 0.00 O ATOM 906 ND2 ASN A 381 80.714 2.209 3.890 1.00 0.00 N ATOM 0 H ASN A 381 84.857 2.689 0.980 1.00 0.00 H new ATOM 0 HA ASN A 381 83.516 1.741 2.490 1.00 0.00 H new ATOM 0 HB2 ASN A 381 83.254 4.232 3.137 1.00 0.00 H new ATOM 0 HB3 ASN A 381 81.722 4.196 2.287 1.00 0.00 H new ATOM 0 HD21 ASN A 381 80.264 1.787 4.703 1.00 0.00 H new ATOM 0 HD22 ASN A 381 80.333 2.052 2.957 1.00 0.00 H new ATOM 913 N GLY A 382 82.084 0.615 0.634 1.00 0.00 N ATOM 914 CA GLY A 382 81.061 -0.158 -0.074 1.00 0.00 C ATOM 915 C GLY A 382 80.079 0.749 -0.814 1.00 0.00 C ATOM 916 O GLY A 382 78.908 0.404 -0.984 1.00 0.00 O ATOM 0 H GLY A 382 83.001 0.170 0.663 1.00 0.00 H new ATOM 0 HA2 GLY A 382 81.540 -0.832 -0.784 1.00 0.00 H new ATOM 0 HA3 GLY A 382 80.517 -0.780 0.637 1.00 0.00 H new ATOM 920 N GLN A 383 80.563 1.910 -1.248 1.00 0.00 N ATOM 921 CA GLN A 383 79.727 2.873 -1.967 1.00 0.00 C ATOM 922 C GLN A 383 80.553 3.584 -3.048 1.00 0.00 C ATOM 923 O GLN A 383 81.317 4.497 -2.733 1.00 0.00 O ATOM 924 CB GLN A 383 79.184 3.915 -0.984 1.00 0.00 C ATOM 925 CG GLN A 383 78.068 3.294 -0.138 1.00 0.00 C ATOM 926 CD GLN A 383 77.488 4.340 0.807 1.00 0.00 C ATOM 927 OE1 GLN A 383 78.144 4.741 1.768 1.00 0.00 O ATOM 928 NE2 GLN A 383 76.289 4.808 0.590 1.00 0.00 N ATOM 0 H GLN A 383 81.529 2.209 -1.115 1.00 0.00 H new ATOM 0 HA GLN A 383 78.900 2.341 -2.437 1.00 0.00 H new ATOM 0 HB2 GLN A 383 79.986 4.273 -0.339 1.00 0.00 H new ATOM 0 HB3 GLN A 383 78.803 4.779 -1.528 1.00 0.00 H new ATOM 0 HG2 GLN A 383 77.284 2.903 -0.786 1.00 0.00 H new ATOM 0 HG3 GLN A 383 78.459 2.452 0.434 1.00 0.00 H new ATOM 0 HE21 GLN A 383 75.748 4.474 -0.207 1.00 0.00 H new ATOM 0 HE22 GLN A 383 75.893 5.508 1.218 1.00 0.00 H new ATOM 937 N PRO A 384 80.436 3.196 -4.302 1.00 0.00 N ATOM 938 CA PRO A 384 81.215 3.836 -5.402 1.00 0.00 C ATOM 939 C PRO A 384 81.229 5.360 -5.294 1.00 0.00 C ATOM 940 O PRO A 384 80.208 5.979 -4.993 1.00 0.00 O ATOM 941 CB PRO A 384 80.494 3.366 -6.668 1.00 0.00 C ATOM 942 CG PRO A 384 79.932 2.030 -6.303 1.00 0.00 C ATOM 943 CD PRO A 384 79.562 2.121 -4.818 1.00 0.00 C ATOM 0 HA PRO A 384 82.268 3.556 -5.382 1.00 0.00 H new ATOM 0 HB2 PRO A 384 79.707 4.062 -6.958 1.00 0.00 H new ATOM 0 HB3 PRO A 384 81.180 3.291 -7.511 1.00 0.00 H new ATOM 0 HG2 PRO A 384 79.057 1.795 -6.910 1.00 0.00 H new ATOM 0 HG3 PRO A 384 80.662 1.239 -6.476 1.00 0.00 H new ATOM 0 HD2 PRO A 384 78.508 2.363 -4.682 1.00 0.00 H new ATOM 0 HD3 PRO A 384 79.741 1.178 -4.302 1.00 0.00 H new ATOM 951 N TRP A 385 82.398 5.959 -5.530 1.00 0.00 N ATOM 952 CA TRP A 385 82.542 7.415 -5.446 1.00 0.00 C ATOM 953 C TRP A 385 83.500 7.928 -6.518 1.00 0.00 C ATOM 954 O TRP A 385 84.496 7.290 -6.834 1.00 0.00 O ATOM 955 CB TRP A 385 83.040 7.800 -4.035 1.00 0.00 C ATOM 956 CG TRP A 385 83.765 9.120 -4.049 1.00 0.00 C ATOM 957 CD1 TRP A 385 85.018 9.316 -3.577 1.00 0.00 C ATOM 958 CD2 TRP A 385 83.311 10.413 -4.550 1.00 0.00 C ATOM 959 NE1 TRP A 385 85.363 10.644 -3.758 1.00 0.00 N ATOM 960 CE2 TRP A 385 84.346 11.361 -4.353 1.00 0.00 C ATOM 961 CE3 TRP A 385 82.117 10.853 -5.150 1.00 0.00 C ATOM 962 CZ2 TRP A 385 84.199 12.696 -4.739 1.00 0.00 C ATOM 963 CZ3 TRP A 385 81.969 12.194 -5.536 1.00 0.00 C ATOM 964 CH2 TRP A 385 83.010 13.111 -5.331 1.00 0.00 C ATOM 0 H TRP A 385 83.254 5.463 -5.779 1.00 0.00 H new ATOM 0 HA TRP A 385 81.572 7.880 -5.621 1.00 0.00 H new ATOM 0 HB2 TRP A 385 82.193 7.856 -3.351 1.00 0.00 H new ATOM 0 HB3 TRP A 385 83.704 7.023 -3.657 1.00 0.00 H new ATOM 0 HD1 TRP A 385 85.647 8.559 -3.131 1.00 0.00 H new ATOM 0 HE1 TRP A 385 86.261 11.044 -3.485 1.00 0.00 H new ATOM 0 HE3 TRP A 385 81.310 10.155 -5.314 1.00 0.00 H new ATOM 0 HZ2 TRP A 385 85.002 13.400 -4.579 1.00 0.00 H new ATOM 0 HZ3 TRP A 385 81.047 12.522 -5.994 1.00 0.00 H new ATOM 0 HH2 TRP A 385 82.889 14.141 -5.633 1.00 0.00 H new ATOM 975 N TYR A 386 83.185 9.097 -7.068 1.00 0.00 N ATOM 976 CA TYR A 386 84.024 9.707 -8.094 1.00 0.00 C ATOM 977 C TYR A 386 84.998 10.685 -7.445 1.00 0.00 C ATOM 978 O TYR A 386 84.691 11.866 -7.289 1.00 0.00 O ATOM 979 CB TYR A 386 83.151 10.446 -9.112 1.00 0.00 C ATOM 980 CG TYR A 386 81.947 9.599 -9.453 1.00 0.00 C ATOM 981 CD1 TYR A 386 80.859 9.544 -8.573 1.00 0.00 C ATOM 982 CD2 TYR A 386 81.917 8.868 -10.647 1.00 0.00 C ATOM 983 CE1 TYR A 386 79.742 8.761 -8.887 1.00 0.00 C ATOM 984 CE2 TYR A 386 80.800 8.084 -10.961 1.00 0.00 C ATOM 985 CZ TYR A 386 79.713 8.031 -10.080 1.00 0.00 C ATOM 986 OH TYR A 386 78.613 7.257 -10.390 1.00 0.00 O ATOM 0 H TYR A 386 82.357 9.639 -6.821 1.00 0.00 H new ATOM 0 HA TYR A 386 84.585 8.926 -8.607 1.00 0.00 H new ATOM 0 HB2 TYR A 386 82.831 11.405 -8.704 1.00 0.00 H new ATOM 0 HB3 TYR A 386 83.726 10.659 -10.013 1.00 0.00 H new ATOM 0 HD1 TYR A 386 80.882 10.106 -7.651 1.00 0.00 H new ATOM 0 HD2 TYR A 386 82.756 8.909 -11.326 1.00 0.00 H new ATOM 0 HE1 TYR A 386 78.903 8.720 -8.208 1.00 0.00 H new ATOM 0 HE2 TYR A 386 80.777 7.521 -11.882 1.00 0.00 H new ATOM 0 HH TYR A 386 78.756 6.817 -11.254 1.00 0.00 H new ATOM 996 N VAL A 387 86.170 10.182 -7.060 1.00 0.00 N ATOM 997 CA VAL A 387 87.186 11.012 -6.420 1.00 0.00 C ATOM 998 C VAL A 387 88.114 11.606 -7.469 1.00 0.00 C ATOM 999 O VAL A 387 88.445 10.953 -8.459 1.00 0.00 O ATOM 1000 CB VAL A 387 87.993 10.171 -5.425 1.00 0.00 C ATOM 1001 CG1 VAL A 387 88.841 9.144 -6.178 1.00 0.00 C ATOM 1002 CG2 VAL A 387 88.908 11.084 -4.609 1.00 0.00 C ATOM 0 H VAL A 387 86.438 9.205 -7.180 1.00 0.00 H new ATOM 0 HA VAL A 387 86.694 11.824 -5.885 1.00 0.00 H new ATOM 0 HB VAL A 387 87.306 9.650 -4.758 1.00 0.00 H new ATOM 0 HG11 VAL A 387 89.412 8.550 -5.464 1.00 0.00 H new ATOM 0 HG12 VAL A 387 88.190 8.489 -6.757 1.00 0.00 H new ATOM 0 HG13 VAL A 387 89.526 9.661 -6.850 1.00 0.00 H new ATOM 0 HG21 VAL A 387 89.482 10.486 -3.901 1.00 0.00 H new ATOM 0 HG22 VAL A 387 89.590 11.608 -5.279 1.00 0.00 H new ATOM 0 HG23 VAL A 387 88.305 11.811 -4.064 1.00 0.00 H new ATOM 1012 N LEU A 388 88.530 12.851 -7.252 1.00 0.00 N ATOM 1013 CA LEU A 388 89.420 13.534 -8.189 1.00 0.00 C ATOM 1014 C LEU A 388 90.825 13.639 -7.608 1.00 0.00 C ATOM 1015 O LEU A 388 91.044 13.368 -6.428 1.00 0.00 O ATOM 1016 CB LEU A 388 88.902 14.945 -8.483 1.00 0.00 C ATOM 1017 CG LEU A 388 87.406 14.918 -8.849 1.00 0.00 C ATOM 1018 CD1 LEU A 388 87.163 13.880 -9.952 1.00 0.00 C ATOM 1019 CD2 LEU A 388 86.539 14.590 -7.610 1.00 0.00 C ATOM 0 H LEU A 388 88.267 13.407 -6.438 1.00 0.00 H new ATOM 0 HA LEU A 388 89.448 12.953 -9.111 1.00 0.00 H new ATOM 0 HB2 LEU A 388 89.056 15.582 -7.612 1.00 0.00 H new ATOM 0 HB3 LEU A 388 89.473 15.383 -9.302 1.00 0.00 H new ATOM 0 HG LEU A 388 87.120 15.906 -9.211 1.00 0.00 H new ATOM 0 HD11 LEU A 388 86.104 13.863 -10.209 1.00 0.00 H new ATOM 0 HD12 LEU A 388 87.746 14.143 -10.834 1.00 0.00 H new ATOM 0 HD13 LEU A 388 87.466 12.895 -9.598 1.00 0.00 H new ATOM 0 HD21 LEU A 388 85.487 14.577 -7.895 1.00 0.00 H new ATOM 0 HD22 LEU A 388 86.821 13.613 -7.217 1.00 0.00 H new ATOM 0 HD23 LEU A 388 86.698 15.349 -6.844 1.00 0.00 H new ATOM 1031 N VAL A 389 91.769 14.040 -8.450 1.00 0.00 N ATOM 1032 CA VAL A 389 93.158 14.187 -8.022 1.00 0.00 C ATOM 1033 C VAL A 389 93.881 15.207 -8.896 1.00 0.00 C ATOM 1034 O VAL A 389 93.634 15.293 -10.099 1.00 0.00 O ATOM 1035 CB VAL A 389 93.881 12.840 -8.108 1.00 0.00 C ATOM 1036 CG1 VAL A 389 93.281 11.859 -7.096 1.00 0.00 C ATOM 1037 CG2 VAL A 389 93.727 12.271 -9.520 1.00 0.00 C ATOM 0 H VAL A 389 91.601 14.269 -9.430 1.00 0.00 H new ATOM 0 HA VAL A 389 93.163 14.536 -6.989 1.00 0.00 H new ATOM 0 HB VAL A 389 94.937 12.985 -7.882 1.00 0.00 H new ATOM 0 HG11 VAL A 389 93.801 10.903 -7.164 1.00 0.00 H new ATOM 0 HG12 VAL A 389 93.392 12.262 -6.089 1.00 0.00 H new ATOM 0 HG13 VAL A 389 92.223 11.713 -7.314 1.00 0.00 H new ATOM 0 HG21 VAL A 389 94.241 11.312 -9.584 1.00 0.00 H new ATOM 0 HG22 VAL A 389 92.669 12.131 -9.743 1.00 0.00 H new ATOM 0 HG23 VAL A 389 94.161 12.964 -10.241 1.00 0.00 H new ATOM 1047 N SER A 390 94.779 15.976 -8.284 1.00 0.00 N ATOM 1048 CA SER A 390 95.541 16.989 -9.012 1.00 0.00 C ATOM 1049 C SER A 390 96.865 16.413 -9.503 1.00 0.00 C ATOM 1050 O SER A 390 97.906 16.596 -8.872 1.00 0.00 O ATOM 1051 CB SER A 390 95.815 18.186 -8.101 1.00 0.00 C ATOM 1052 OG SER A 390 96.904 18.935 -8.624 1.00 0.00 O ATOM 0 H SER A 390 94.997 15.918 -7.289 1.00 0.00 H new ATOM 0 HA SER A 390 94.954 17.310 -9.873 1.00 0.00 H new ATOM 0 HB2 SER A 390 94.927 18.814 -8.030 1.00 0.00 H new ATOM 0 HB3 SER A 390 96.045 17.844 -7.092 1.00 0.00 H new ATOM 0 HG SER A 390 97.732 18.420 -8.527 1.00 0.00 H new ATOM 1058 N GLY A 391 96.818 15.713 -10.631 1.00 0.00 N ATOM 1059 CA GLY A 391 98.019 15.114 -11.198 1.00 0.00 C ATOM 1060 C GLY A 391 98.579 14.039 -10.272 1.00 0.00 C ATOM 1061 O GLY A 391 97.842 13.182 -9.784 1.00 0.00 O ATOM 0 H GLY A 391 95.966 15.547 -11.168 1.00 0.00 H new ATOM 0 HA2 GLY A 391 97.789 14.679 -12.170 1.00 0.00 H new ATOM 0 HA3 GLY A 391 98.771 15.885 -11.364 1.00 0.00 H new ATOM 1065 N VAL A 392 99.889 14.088 -10.039 1.00 0.00 N ATOM 1066 CA VAL A 392 100.545 13.110 -9.173 1.00 0.00 C ATOM 1067 C VAL A 392 101.759 13.727 -8.485 1.00 0.00 C ATOM 1068 O VAL A 392 102.707 14.159 -9.141 1.00 0.00 O ATOM 1069 CB VAL A 392 100.987 11.899 -9.995 1.00 0.00 C ATOM 1070 CG1 VAL A 392 101.724 10.908 -9.094 1.00 0.00 C ATOM 1071 CG2 VAL A 392 99.756 11.218 -10.600 1.00 0.00 C ATOM 0 H VAL A 392 100.514 14.790 -10.435 1.00 0.00 H new ATOM 0 HA VAL A 392 99.832 12.794 -8.411 1.00 0.00 H new ATOM 0 HB VAL A 392 101.653 12.227 -10.793 1.00 0.00 H new ATOM 0 HG11 VAL A 392 102.038 10.046 -9.682 1.00 0.00 H new ATOM 0 HG12 VAL A 392 102.600 11.391 -8.662 1.00 0.00 H new ATOM 0 HG13 VAL A 392 101.060 10.580 -8.295 1.00 0.00 H new ATOM 0 HG21 VAL A 392 100.069 10.354 -11.186 1.00 0.00 H new ATOM 0 HG22 VAL A 392 99.091 10.892 -9.800 1.00 0.00 H new ATOM 0 HG23 VAL A 392 99.230 11.923 -11.244 1.00 0.00 H new ATOM 1081 N TYR A 393 101.723 13.757 -7.155 1.00 0.00 N ATOM 1082 CA TYR A 393 102.824 14.316 -6.377 1.00 0.00 C ATOM 1083 C TYR A 393 103.930 13.279 -6.202 1.00 0.00 C ATOM 1084 O TYR A 393 103.662 12.128 -5.860 1.00 0.00 O ATOM 1085 CB TYR A 393 102.320 14.765 -5.004 1.00 0.00 C ATOM 1086 CG TYR A 393 101.238 15.806 -5.182 1.00 0.00 C ATOM 1087 CD1 TYR A 393 101.551 17.047 -5.747 1.00 0.00 C ATOM 1088 CD2 TYR A 393 99.922 15.531 -4.785 1.00 0.00 C ATOM 1089 CE1 TYR A 393 100.552 18.014 -5.914 1.00 0.00 C ATOM 1090 CE2 TYR A 393 98.923 16.498 -4.953 1.00 0.00 C ATOM 1091 CZ TYR A 393 99.239 17.739 -5.517 1.00 0.00 C ATOM 1092 OH TYR A 393 98.255 18.692 -5.684 1.00 0.00 O ATOM 0 H TYR A 393 100.947 13.402 -6.596 1.00 0.00 H new ATOM 0 HA TYR A 393 103.226 15.176 -6.913 1.00 0.00 H new ATOM 0 HB2 TYR A 393 101.931 13.911 -4.450 1.00 0.00 H new ATOM 0 HB3 TYR A 393 103.143 15.176 -4.419 1.00 0.00 H new ATOM 0 HD1 TYR A 393 102.564 17.259 -6.055 1.00 0.00 H new ATOM 0 HD2 TYR A 393 99.678 14.573 -4.349 1.00 0.00 H new ATOM 0 HE1 TYR A 393 100.795 18.972 -6.349 1.00 0.00 H new ATOM 0 HE2 TYR A 393 97.909 16.286 -4.647 1.00 0.00 H new ATOM 0 HH TYR A 393 97.997 18.734 -6.628 1.00 0.00 H new ATOM 1102 N ALA A 394 105.172 13.691 -6.445 1.00 0.00 N ATOM 1103 CA ALA A 394 106.310 12.783 -6.319 1.00 0.00 C ATOM 1104 C ALA A 394 106.160 11.888 -5.092 1.00 0.00 C ATOM 1105 O ALA A 394 106.026 10.671 -5.215 1.00 0.00 O ATOM 1106 CB ALA A 394 107.607 13.587 -6.209 1.00 0.00 C ATOM 0 H ALA A 394 105.415 14.640 -6.728 1.00 0.00 H new ATOM 0 HA ALA A 394 106.343 12.152 -7.207 1.00 0.00 H new ATOM 0 HB1 ALA A 394 108.451 12.904 -6.115 1.00 0.00 H new ATOM 0 HB2 ALA A 394 107.733 14.199 -7.102 1.00 0.00 H new ATOM 0 HB3 ALA A 394 107.562 14.231 -5.331 1.00 0.00 H new ATOM 1112 N SER A 395 106.182 12.496 -3.907 1.00 0.00 N ATOM 1113 CA SER A 395 106.047 11.743 -2.660 1.00 0.00 C ATOM 1114 C SER A 395 105.258 12.549 -1.635 1.00 0.00 C ATOM 1115 O SER A 395 104.492 13.445 -1.992 1.00 0.00 O ATOM 1116 CB SER A 395 107.430 11.416 -2.097 1.00 0.00 C ATOM 1117 OG SER A 395 108.028 12.607 -1.601 1.00 0.00 O ATOM 0 H SER A 395 106.291 13.503 -3.784 1.00 0.00 H new ATOM 0 HA SER A 395 105.512 10.817 -2.870 1.00 0.00 H new ATOM 0 HB2 SER A 395 107.346 10.678 -1.299 1.00 0.00 H new ATOM 0 HB3 SER A 395 108.057 10.976 -2.873 1.00 0.00 H new ATOM 0 HG SER A 395 108.914 12.401 -1.237 1.00 0.00 H new ATOM 1123 N LYS A 396 105.448 12.227 -0.360 1.00 0.00 N ATOM 1124 CA LYS A 396 104.747 12.930 0.707 1.00 0.00 C ATOM 1125 C LYS A 396 105.389 14.291 0.960 1.00 0.00 C ATOM 1126 O LYS A 396 104.858 15.110 1.711 1.00 0.00 O ATOM 1127 CB LYS A 396 104.782 12.095 1.992 1.00 0.00 C ATOM 1128 CG LYS A 396 103.722 12.605 2.973 1.00 0.00 C ATOM 1129 CD LYS A 396 103.670 11.681 4.193 1.00 0.00 C ATOM 1130 CE LYS A 396 102.527 12.114 5.112 1.00 0.00 C ATOM 1131 NZ LYS A 396 102.684 11.457 6.441 1.00 0.00 N ATOM 0 H LYS A 396 106.077 11.489 -0.042 1.00 0.00 H new ATOM 0 HA LYS A 396 103.711 13.081 0.402 1.00 0.00 H new ATOM 0 HB2 LYS A 396 104.600 11.046 1.759 1.00 0.00 H new ATOM 0 HB3 LYS A 396 105.770 12.154 2.448 1.00 0.00 H new ATOM 0 HG2 LYS A 396 103.958 13.623 3.284 1.00 0.00 H new ATOM 0 HG3 LYS A 396 102.747 12.638 2.487 1.00 0.00 H new ATOM 0 HD2 LYS A 396 103.524 10.649 3.875 1.00 0.00 H new ATOM 0 HD3 LYS A 396 104.617 11.718 4.731 1.00 0.00 H new ATOM 0 HE2 LYS A 396 102.529 13.198 5.227 1.00 0.00 H new ATOM 0 HE3 LYS A 396 101.568 11.842 4.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 396 101.907 11.750 7.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 396 102.662 10.424 6.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 396 103.593 11.738 6.862 1.00 0.00 H new ATOM 1145 N GLU A 397 106.533 14.525 0.327 1.00 0.00 N ATOM 1146 CA GLU A 397 107.242 15.789 0.490 1.00 0.00 C ATOM 1147 C GLU A 397 106.424 16.944 -0.083 1.00 0.00 C ATOM 1148 O GLU A 397 105.750 17.664 0.653 1.00 0.00 O ATOM 1149 CB GLU A 397 108.598 15.719 -0.217 1.00 0.00 C ATOM 1150 CG GLU A 397 109.292 17.081 -0.137 1.00 0.00 C ATOM 1151 CD GLU A 397 110.767 16.936 -0.493 1.00 0.00 C ATOM 1152 OE1 GLU A 397 111.091 16.023 -1.235 1.00 0.00 O ATOM 1153 OE2 GLU A 397 111.552 17.741 -0.018 1.00 0.00 O ATOM 0 H GLU A 397 106.987 13.861 -0.300 1.00 0.00 H new ATOM 0 HA GLU A 397 107.395 15.964 1.555 1.00 0.00 H new ATOM 0 HB2 GLU A 397 109.222 14.954 0.246 1.00 0.00 H new ATOM 0 HB3 GLU A 397 108.461 15.430 -1.259 1.00 0.00 H new ATOM 0 HG2 GLU A 397 108.812 17.783 -0.819 1.00 0.00 H new ATOM 0 HG3 GLU A 397 109.190 17.492 0.868 1.00 0.00 H new ATOM 1160 N GLU A 398 106.493 17.117 -1.399 1.00 0.00 N ATOM 1161 CA GLU A 398 105.758 18.191 -2.059 1.00 0.00 C ATOM 1162 C GLU A 398 104.263 18.068 -1.781 1.00 0.00 C ATOM 1163 O GLU A 398 103.514 19.035 -1.931 1.00 0.00 O ATOM 1164 CB GLU A 398 106.005 18.141 -3.568 1.00 0.00 C ATOM 1165 CG GLU A 398 105.266 19.297 -4.244 1.00 0.00 C ATOM 1166 CD GLU A 398 105.741 19.445 -5.686 1.00 0.00 C ATOM 1167 OE1 GLU A 398 106.828 19.963 -5.881 1.00 0.00 O ATOM 1168 OE2 GLU A 398 105.009 19.040 -6.574 1.00 0.00 O ATOM 0 H GLU A 398 107.046 16.532 -2.026 1.00 0.00 H new ATOM 0 HA GLU A 398 106.111 19.144 -1.664 1.00 0.00 H new ATOM 0 HB2 GLU A 398 107.073 18.208 -3.775 1.00 0.00 H new ATOM 0 HB3 GLU A 398 105.661 17.189 -3.972 1.00 0.00 H new ATOM 0 HG2 GLU A 398 104.192 19.115 -4.223 1.00 0.00 H new ATOM 0 HG3 GLU A 398 105.443 20.223 -3.697 1.00 0.00 H new ATOM 1175 N ALA A 399 103.835 16.877 -1.379 1.00 0.00 N ATOM 1176 CA ALA A 399 102.426 16.641 -1.085 1.00 0.00 C ATOM 1177 C ALA A 399 101.875 17.733 -0.173 1.00 0.00 C ATOM 1178 O ALA A 399 101.067 18.559 -0.596 1.00 0.00 O ATOM 1179 CB ALA A 399 102.255 15.279 -0.411 1.00 0.00 C ATOM 0 H ALA A 399 104.438 16.065 -1.250 1.00 0.00 H new ATOM 0 HA ALA A 399 101.873 16.656 -2.024 1.00 0.00 H new ATOM 0 HB1 ALA A 399 101.200 15.110 -0.195 1.00 0.00 H new ATOM 0 HB2 ALA A 399 102.619 14.496 -1.076 1.00 0.00 H new ATOM 0 HB3 ALA A 399 102.824 15.259 0.519 1.00 0.00 H new ATOM 1185 N LYS A 400 102.317 17.729 1.081 1.00 0.00 N ATOM 1186 CA LYS A 400 101.859 18.722 2.046 1.00 0.00 C ATOM 1187 C LYS A 400 102.073 20.133 1.507 1.00 0.00 C ATOM 1188 O LYS A 400 101.333 21.057 1.850 1.00 0.00 O ATOM 1189 CB LYS A 400 102.617 18.558 3.365 1.00 0.00 C ATOM 1190 CG LYS A 400 104.121 18.500 3.086 1.00 0.00 C ATOM 1191 CD LYS A 400 104.887 18.532 4.410 1.00 0.00 C ATOM 1192 CE LYS A 400 106.378 18.727 4.133 1.00 0.00 C ATOM 1193 NZ LYS A 400 106.919 17.518 3.449 1.00 0.00 N ATOM 0 H LYS A 400 102.987 17.054 1.451 1.00 0.00 H new ATOM 0 HA LYS A 400 100.794 18.568 2.218 1.00 0.00 H new ATOM 0 HB2 LYS A 400 102.392 19.390 4.032 1.00 0.00 H new ATOM 0 HB3 LYS A 400 102.295 17.648 3.871 1.00 0.00 H new ATOM 0 HG2 LYS A 400 104.365 17.592 2.535 1.00 0.00 H new ATOM 0 HG3 LYS A 400 104.418 19.342 2.461 1.00 0.00 H new ATOM 0 HD2 LYS A 400 104.514 19.341 5.038 1.00 0.00 H new ATOM 0 HD3 LYS A 400 104.727 17.603 4.958 1.00 0.00 H new ATOM 0 HE2 LYS A 400 106.531 19.609 3.511 1.00 0.00 H new ATOM 0 HE3 LYS A 400 106.913 18.899 5.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 400 107.958 17.559 3.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 400 106.609 16.664 3.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 400 106.567 17.486 2.471 1.00 0.00 H new ATOM 1207 N LYS A 401 103.086 20.295 0.664 1.00 0.00 N ATOM 1208 CA LYS A 401 103.385 21.600 0.086 1.00 0.00 C ATOM 1209 C LYS A 401 102.393 21.936 -1.023 1.00 0.00 C ATOM 1210 O LYS A 401 102.093 23.105 -1.268 1.00 0.00 O ATOM 1211 CB LYS A 401 104.813 21.609 -0.479 1.00 0.00 C ATOM 1212 CG LYS A 401 105.291 23.060 -0.690 1.00 0.00 C ATOM 1213 CD LYS A 401 105.910 23.619 0.608 1.00 0.00 C ATOM 1214 CE LYS A 401 107.390 23.227 0.700 1.00 0.00 C ATOM 1215 NZ LYS A 401 107.844 23.337 2.116 1.00 0.00 N ATOM 0 H LYS A 401 103.710 19.545 0.367 1.00 0.00 H new ATOM 0 HA LYS A 401 103.301 22.352 0.871 1.00 0.00 H new ATOM 0 HB2 LYS A 401 105.486 21.092 0.205 1.00 0.00 H new ATOM 0 HB3 LYS A 401 104.842 21.067 -1.425 1.00 0.00 H new ATOM 0 HG2 LYS A 401 106.026 23.094 -1.494 1.00 0.00 H new ATOM 0 HG3 LYS A 401 104.452 23.684 -0.998 1.00 0.00 H new ATOM 0 HD2 LYS A 401 105.812 24.704 0.628 1.00 0.00 H new ATOM 0 HD3 LYS A 401 105.370 23.234 1.473 1.00 0.00 H new ATOM 0 HE2 LYS A 401 107.531 22.208 0.339 1.00 0.00 H new ATOM 0 HE3 LYS A 401 107.990 23.876 0.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 401 108.847 23.072 2.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 401 107.723 24.316 2.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 401 107.278 22.700 2.712 1.00 0.00 H new ATOM 1229 N ALA A 402 101.886 20.904 -1.691 1.00 0.00 N ATOM 1230 CA ALA A 402 100.929 21.103 -2.773 1.00 0.00 C ATOM 1231 C ALA A 402 99.669 21.791 -2.256 1.00 0.00 C ATOM 1232 O ALA A 402 99.083 22.630 -2.939 1.00 0.00 O ATOM 1233 CB ALA A 402 100.557 19.758 -3.397 1.00 0.00 C ATOM 0 H ALA A 402 102.120 19.929 -1.504 1.00 0.00 H new ATOM 0 HA ALA A 402 101.392 21.738 -3.528 1.00 0.00 H new ATOM 0 HB1 ALA A 402 99.842 19.917 -4.204 1.00 0.00 H new ATOM 0 HB2 ALA A 402 101.453 19.281 -3.795 1.00 0.00 H new ATOM 0 HB3 ALA A 402 100.111 19.116 -2.638 1.00 0.00 H new ATOM 1239 N VAL A 403 99.258 21.431 -1.043 1.00 0.00 N ATOM 1240 CA VAL A 403 98.066 22.020 -0.444 1.00 0.00 C ATOM 1241 C VAL A 403 98.071 23.536 -0.618 1.00 0.00 C ATOM 1242 O VAL A 403 97.061 24.129 -1.000 1.00 0.00 O ATOM 1243 CB VAL A 403 98.009 21.678 1.046 1.00 0.00 C ATOM 1244 CG1 VAL A 403 96.796 22.360 1.680 1.00 0.00 C ATOM 1245 CG2 VAL A 403 97.886 20.162 1.216 1.00 0.00 C ATOM 0 H VAL A 403 99.729 20.739 -0.460 1.00 0.00 H new ATOM 0 HA VAL A 403 97.190 21.611 -0.946 1.00 0.00 H new ATOM 0 HB VAL A 403 98.919 22.027 1.534 1.00 0.00 H new ATOM 0 HG11 VAL A 403 96.755 22.116 2.742 1.00 0.00 H new ATOM 0 HG12 VAL A 403 96.881 23.440 1.558 1.00 0.00 H new ATOM 0 HG13 VAL A 403 95.886 22.011 1.192 1.00 0.00 H new ATOM 0 HG21 VAL A 403 97.845 19.917 2.277 1.00 0.00 H new ATOM 0 HG22 VAL A 403 96.976 19.814 0.728 1.00 0.00 H new ATOM 0 HG23 VAL A 403 98.749 19.674 0.764 1.00 0.00 H new ATOM 1255 N SER A 404 99.210 24.155 -0.330 1.00 0.00 N ATOM 1256 CA SER A 404 99.340 25.604 -0.450 1.00 0.00 C ATOM 1257 C SER A 404 98.697 26.110 -1.740 1.00 0.00 C ATOM 1258 O SER A 404 97.933 27.074 -1.723 1.00 0.00 O ATOM 1259 CB SER A 404 100.816 25.996 -0.430 1.00 0.00 C ATOM 1260 OG SER A 404 100.928 27.412 -0.501 1.00 0.00 O ATOM 0 H SER A 404 100.055 23.679 -0.013 1.00 0.00 H new ATOM 0 HA SER A 404 98.825 26.061 0.395 1.00 0.00 H new ATOM 0 HB2 SER A 404 101.289 25.628 0.480 1.00 0.00 H new ATOM 0 HB3 SER A 404 101.338 25.536 -1.269 1.00 0.00 H new ATOM 0 HG SER A 404 101.874 27.666 -0.487 1.00 0.00 H new ATOM 1266 N THR A 405 99.017 25.462 -2.856 1.00 0.00 N ATOM 1267 CA THR A 405 98.465 25.871 -4.143 1.00 0.00 C ATOM 1268 C THR A 405 96.940 25.872 -4.105 1.00 0.00 C ATOM 1269 O THR A 405 96.302 26.868 -4.444 1.00 0.00 O ATOM 1270 CB THR A 405 98.948 24.922 -5.243 1.00 0.00 C ATOM 1271 OG1 THR A 405 98.243 23.692 -5.148 1.00 0.00 O ATOM 1272 CG2 THR A 405 100.446 24.667 -5.078 1.00 0.00 C ATOM 0 H THR A 405 99.648 24.661 -2.896 1.00 0.00 H new ATOM 0 HA THR A 405 98.809 26.883 -4.355 1.00 0.00 H new ATOM 0 HB THR A 405 98.764 25.373 -6.218 1.00 0.00 H new ATOM 0 HG1 THR A 405 98.671 23.121 -4.476 1.00 0.00 H new ATOM 0 HG21 THR A 405 100.789 23.991 -5.862 1.00 0.00 H new ATOM 0 HG22 THR A 405 100.986 25.611 -5.151 1.00 0.00 H new ATOM 0 HG23 THR A 405 100.633 24.217 -4.103 1.00 0.00 H new ATOM 1280 N LEU A 406 96.360 24.748 -3.696 1.00 0.00 N ATOM 1281 CA LEU A 406 94.906 24.631 -3.624 1.00 0.00 C ATOM 1282 C LEU A 406 94.303 25.874 -2.956 1.00 0.00 C ATOM 1283 O LEU A 406 94.930 26.471 -2.081 1.00 0.00 O ATOM 1284 CB LEU A 406 94.526 23.380 -2.823 1.00 0.00 C ATOM 1285 CG LEU A 406 95.365 22.184 -3.287 1.00 0.00 C ATOM 1286 CD1 LEU A 406 94.843 20.911 -2.617 1.00 0.00 C ATOM 1287 CD2 LEU A 406 95.265 22.038 -4.811 1.00 0.00 C ATOM 0 H LEU A 406 96.869 23.911 -3.411 1.00 0.00 H new ATOM 0 HA LEU A 406 94.511 24.548 -4.636 1.00 0.00 H new ATOM 0 HB2 LEU A 406 94.687 23.557 -1.760 1.00 0.00 H new ATOM 0 HB3 LEU A 406 93.466 23.163 -2.953 1.00 0.00 H new ATOM 0 HG LEU A 406 96.407 22.344 -3.011 1.00 0.00 H new ATOM 0 HD11 LEU A 406 95.437 20.058 -2.944 1.00 0.00 H new ATOM 0 HD12 LEU A 406 94.919 21.012 -1.534 1.00 0.00 H new ATOM 0 HD13 LEU A 406 93.800 20.755 -2.894 1.00 0.00 H new ATOM 0 HD21 LEU A 406 95.863 21.186 -5.135 1.00 0.00 H new ATOM 0 HD22 LEU A 406 94.224 21.879 -5.094 1.00 0.00 H new ATOM 0 HD23 LEU A 406 95.636 22.945 -5.289 1.00 0.00 H new ATOM 1299 N PRO A 407 93.111 26.281 -3.342 1.00 0.00 N ATOM 1300 CA PRO A 407 92.447 27.483 -2.746 1.00 0.00 C ATOM 1301 C PRO A 407 91.956 27.226 -1.319 1.00 0.00 C ATOM 1302 O PRO A 407 92.126 26.133 -0.779 1.00 0.00 O ATOM 1303 CB PRO A 407 91.275 27.751 -3.701 1.00 0.00 C ATOM 1304 CG PRO A 407 90.936 26.411 -4.267 1.00 0.00 C ATOM 1305 CD PRO A 407 92.263 25.655 -4.378 1.00 0.00 C ATOM 0 HA PRO A 407 93.128 28.329 -2.653 1.00 0.00 H new ATOM 0 HB2 PRO A 407 90.425 28.185 -3.174 1.00 0.00 H new ATOM 0 HB3 PRO A 407 91.556 28.453 -4.486 1.00 0.00 H new ATOM 0 HG2 PRO A 407 90.237 25.880 -3.621 1.00 0.00 H new ATOM 0 HG3 PRO A 407 90.459 26.508 -5.242 1.00 0.00 H new ATOM 0 HD2 PRO A 407 92.132 24.588 -4.197 1.00 0.00 H new ATOM 0 HD3 PRO A 407 92.701 25.759 -5.371 1.00 0.00 H new ATOM 1313 N ALA A 408 91.351 28.248 -0.720 1.00 0.00 N ATOM 1314 CA ALA A 408 90.841 28.136 0.643 1.00 0.00 C ATOM 1315 C ALA A 408 89.799 27.027 0.749 1.00 0.00 C ATOM 1316 O ALA A 408 89.819 26.238 1.691 1.00 0.00 O ATOM 1317 CB ALA A 408 90.218 29.465 1.077 1.00 0.00 C ATOM 0 H ALA A 408 91.202 29.159 -1.154 1.00 0.00 H new ATOM 0 HA ALA A 408 91.677 27.890 1.298 1.00 0.00 H new ATOM 0 HB1 ALA A 408 89.839 29.374 2.095 1.00 0.00 H new ATOM 0 HB2 ALA A 408 90.973 30.250 1.039 1.00 0.00 H new ATOM 0 HB3 ALA A 408 89.397 29.718 0.406 1.00 0.00 H new ATOM 1323 N ASP A 409 88.885 26.974 -0.215 1.00 0.00 N ATOM 1324 CA ASP A 409 87.842 25.953 -0.201 1.00 0.00 C ATOM 1325 C ASP A 409 88.456 24.561 -0.073 1.00 0.00 C ATOM 1326 O ASP A 409 88.466 23.974 1.009 1.00 0.00 O ATOM 1327 CB ASP A 409 87.017 26.032 -1.487 1.00 0.00 C ATOM 1328 CG ASP A 409 86.296 27.373 -1.562 1.00 0.00 C ATOM 1329 OD1 ASP A 409 85.187 27.457 -1.061 1.00 0.00 O ATOM 1330 OD2 ASP A 409 86.863 28.299 -2.119 1.00 0.00 O ATOM 0 H ASP A 409 88.844 27.617 -1.006 1.00 0.00 H new ATOM 0 HA ASP A 409 87.195 26.133 0.658 1.00 0.00 H new ATOM 0 HB2 ASP A 409 87.667 25.910 -2.354 1.00 0.00 H new ATOM 0 HB3 ASP A 409 86.292 25.218 -1.515 1.00 0.00 H new ATOM 1335 N VAL A 410 88.967 24.039 -1.186 1.00 0.00 N ATOM 1336 CA VAL A 410 89.581 22.713 -1.193 1.00 0.00 C ATOM 1337 C VAL A 410 90.420 22.492 0.064 1.00 0.00 C ATOM 1338 O VAL A 410 90.334 21.444 0.703 1.00 0.00 O ATOM 1339 CB VAL A 410 90.471 22.562 -2.427 1.00 0.00 C ATOM 1340 CG1 VAL A 410 91.155 21.194 -2.399 1.00 0.00 C ATOM 1341 CG2 VAL A 410 89.616 22.678 -3.689 1.00 0.00 C ATOM 0 H VAL A 410 88.968 24.511 -2.090 1.00 0.00 H new ATOM 0 HA VAL A 410 88.784 21.969 -1.216 1.00 0.00 H new ATOM 0 HB VAL A 410 91.228 23.346 -2.427 1.00 0.00 H new ATOM 0 HG11 VAL A 410 91.789 21.086 -3.279 1.00 0.00 H new ATOM 0 HG12 VAL A 410 91.765 21.110 -1.499 1.00 0.00 H new ATOM 0 HG13 VAL A 410 90.399 20.409 -2.399 1.00 0.00 H new ATOM 0 HG21 VAL A 410 90.250 22.570 -4.569 1.00 0.00 H new ATOM 0 HG22 VAL A 410 88.859 21.894 -3.689 1.00 0.00 H new ATOM 0 HG23 VAL A 410 89.129 23.653 -3.710 1.00 0.00 H new ATOM 1351 N GLN A 411 91.230 23.485 0.414 1.00 0.00 N ATOM 1352 CA GLN A 411 92.078 23.388 1.597 1.00 0.00 C ATOM 1353 C GLN A 411 91.229 23.183 2.847 1.00 0.00 C ATOM 1354 O GLN A 411 91.442 22.239 3.608 1.00 0.00 O ATOM 1355 CB GLN A 411 92.912 24.662 1.746 1.00 0.00 C ATOM 1356 CG GLN A 411 93.900 24.498 2.903 1.00 0.00 C ATOM 1357 CD GLN A 411 94.758 25.751 3.038 1.00 0.00 C ATOM 1358 OE1 GLN A 411 94.793 26.615 2.060 1.00 0.00 O flip ATOM 1359 NE2 GLN A 411 95.413 25.949 4.061 1.00 0.00 N flip ATOM 0 H GLN A 411 91.318 24.361 -0.101 1.00 0.00 H new ATOM 0 HA GLN A 411 92.742 22.532 1.478 1.00 0.00 H new ATOM 0 HB2 GLN A 411 93.451 24.866 0.821 1.00 0.00 H new ATOM 0 HB3 GLN A 411 92.260 25.516 1.930 1.00 0.00 H new ATOM 0 HG2 GLN A 411 93.359 24.316 3.831 1.00 0.00 H new ATOM 0 HG3 GLN A 411 94.535 23.629 2.729 1.00 0.00 H new ATOM 0 HE21 GLN A 411 95.384 25.273 4.824 1.00 0.00 H new ATOM 0 HE22 GLN A 411 95.985 26.790 4.146 1.00 0.00 H new ATOM 1368 N ALA A 412 90.269 24.076 3.051 1.00 0.00 N ATOM 1369 CA ALA A 412 89.391 23.992 4.211 1.00 0.00 C ATOM 1370 C ALA A 412 88.782 22.598 4.326 1.00 0.00 C ATOM 1371 O ALA A 412 88.291 22.209 5.385 1.00 0.00 O ATOM 1372 CB ALA A 412 88.272 25.029 4.096 1.00 0.00 C ATOM 0 H ALA A 412 90.079 24.864 2.431 1.00 0.00 H new ATOM 0 HA ALA A 412 89.983 24.192 5.104 1.00 0.00 H new ATOM 0 HB1 ALA A 412 87.620 24.959 4.967 1.00 0.00 H new ATOM 0 HB2 ALA A 412 88.705 26.028 4.046 1.00 0.00 H new ATOM 0 HB3 ALA A 412 87.692 24.840 3.193 1.00 0.00 H new ATOM 1378 N LYS A 413 88.817 21.850 3.226 1.00 0.00 N ATOM 1379 CA LYS A 413 88.264 20.499 3.211 1.00 0.00 C ATOM 1380 C LYS A 413 89.256 19.511 3.823 1.00 0.00 C ATOM 1381 O LYS A 413 89.046 18.298 3.786 1.00 0.00 O ATOM 1382 CB LYS A 413 87.940 20.085 1.765 1.00 0.00 C ATOM 1383 CG LYS A 413 86.879 18.964 1.755 1.00 0.00 C ATOM 1384 CD LYS A 413 85.460 19.569 1.808 1.00 0.00 C ATOM 1385 CE LYS A 413 84.984 19.929 0.394 1.00 0.00 C ATOM 1386 NZ LYS A 413 83.886 20.932 0.483 1.00 0.00 N ATOM 0 H LYS A 413 89.220 22.154 2.339 1.00 0.00 H new ATOM 0 HA LYS A 413 87.349 20.488 3.803 1.00 0.00 H new ATOM 0 HB2 LYS A 413 87.574 20.946 1.206 1.00 0.00 H new ATOM 0 HB3 LYS A 413 88.846 19.742 1.266 1.00 0.00 H new ATOM 0 HG2 LYS A 413 86.990 18.357 0.856 1.00 0.00 H new ATOM 0 HG3 LYS A 413 87.032 18.302 2.607 1.00 0.00 H new ATOM 0 HD2 LYS A 413 84.770 18.857 2.262 1.00 0.00 H new ATOM 0 HD3 LYS A 413 85.459 20.459 2.437 1.00 0.00 H new ATOM 0 HE2 LYS A 413 85.812 20.331 -0.189 1.00 0.00 H new ATOM 0 HE3 LYS A 413 84.634 19.035 -0.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 83.562 21.178 -0.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 83.094 20.532 1.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 84.235 21.787 0.960 1.00 0.00 H new ATOM 1400 N ASN A 414 90.338 20.037 4.383 1.00 0.00 N ATOM 1401 CA ASN A 414 91.356 19.195 4.998 1.00 0.00 C ATOM 1402 C ASN A 414 91.680 17.993 4.113 1.00 0.00 C ATOM 1403 O ASN A 414 91.413 16.850 4.481 1.00 0.00 O ATOM 1404 CB ASN A 414 90.874 18.707 6.365 1.00 0.00 C ATOM 1405 CG ASN A 414 90.840 19.870 7.351 1.00 0.00 C ATOM 1406 OD1 ASN A 414 91.832 20.141 8.028 1.00 0.00 O ATOM 1407 ND2 ASN A 414 89.751 20.579 7.472 1.00 0.00 N ATOM 0 H ASN A 414 90.533 21.037 4.424 1.00 0.00 H new ATOM 0 HA ASN A 414 92.261 19.791 5.119 1.00 0.00 H new ATOM 0 HB2 ASN A 414 89.881 18.267 6.274 1.00 0.00 H new ATOM 0 HB3 ASN A 414 91.536 17.925 6.735 1.00 0.00 H new ATOM 0 HD21 ASN A 414 89.721 21.359 8.128 1.00 0.00 H new ATOM 0 HD22 ASN A 414 88.930 20.353 6.910 1.00 0.00 H new ATOM 1414 N PRO A 415 92.252 18.233 2.961 1.00 0.00 N ATOM 1415 CA PRO A 415 92.627 17.148 2.006 1.00 0.00 C ATOM 1416 C PRO A 415 93.376 16.010 2.700 1.00 0.00 C ATOM 1417 O PRO A 415 94.571 16.119 2.976 1.00 0.00 O ATOM 1418 CB PRO A 415 93.519 17.863 0.982 1.00 0.00 C ATOM 1419 CG PRO A 415 93.063 19.287 1.004 1.00 0.00 C ATOM 1420 CD PRO A 415 92.606 19.566 2.440 1.00 0.00 C ATOM 0 HA PRO A 415 91.757 16.672 1.554 1.00 0.00 H new ATOM 0 HB2 PRO A 415 94.572 17.781 1.250 1.00 0.00 H new ATOM 0 HB3 PRO A 415 93.408 17.428 -0.011 1.00 0.00 H new ATOM 0 HG2 PRO A 415 93.871 19.959 0.715 1.00 0.00 H new ATOM 0 HG3 PRO A 415 92.248 19.446 0.298 1.00 0.00 H new ATOM 0 HD2 PRO A 415 93.398 20.029 3.029 1.00 0.00 H new ATOM 0 HD3 PRO A 415 91.753 20.244 2.464 1.00 0.00 H new ATOM 1428 N TRP A 416 92.667 14.923 2.981 1.00 0.00 N ATOM 1429 CA TRP A 416 93.279 13.776 3.645 1.00 0.00 C ATOM 1430 C TRP A 416 94.160 12.997 2.669 1.00 0.00 C ATOM 1431 O TRP A 416 93.783 12.774 1.519 1.00 0.00 O ATOM 1432 CB TRP A 416 92.193 12.864 4.233 1.00 0.00 C ATOM 1433 CG TRP A 416 91.528 12.066 3.150 1.00 0.00 C ATOM 1434 CD1 TRP A 416 91.057 12.568 1.984 1.00 0.00 C ATOM 1435 CD2 TRP A 416 91.251 10.636 3.120 1.00 0.00 C ATOM 1436 NE1 TRP A 416 90.509 11.536 1.242 1.00 0.00 N ATOM 1437 CE2 TRP A 416 90.605 10.326 1.901 1.00 0.00 C ATOM 1438 CE3 TRP A 416 91.497 9.587 4.025 1.00 0.00 C ATOM 1439 CZ2 TRP A 416 90.215 9.022 1.589 1.00 0.00 C ATOM 1440 CZ3 TRP A 416 91.107 8.274 3.715 1.00 0.00 C ATOM 1441 CH2 TRP A 416 90.467 7.992 2.499 1.00 0.00 C ATOM 0 H TRP A 416 91.677 14.811 2.762 1.00 0.00 H new ATOM 0 HA TRP A 416 93.908 14.140 4.457 1.00 0.00 H new ATOM 0 HB2 TRP A 416 92.635 12.191 4.968 1.00 0.00 H new ATOM 0 HB3 TRP A 416 91.450 13.466 4.757 1.00 0.00 H new ATOM 0 HD1 TRP A 416 91.102 13.604 1.682 1.00 0.00 H new ATOM 0 HE1 TRP A 416 90.086 11.655 0.321 1.00 0.00 H new ATOM 0 HE3 TRP A 416 91.989 9.793 4.964 1.00 0.00 H new ATOM 0 HZ2 TRP A 416 89.722 8.811 0.651 1.00 0.00 H new ATOM 0 HZ3 TRP A 416 91.301 7.477 4.417 1.00 0.00 H new ATOM 0 HH2 TRP A 416 90.169 6.980 2.266 1.00 0.00 H new ATOM 1452 N ALA A 417 95.334 12.588 3.139 1.00 0.00 N ATOM 1453 CA ALA A 417 96.262 11.836 2.301 1.00 0.00 C ATOM 1454 C ALA A 417 95.747 10.421 2.064 1.00 0.00 C ATOM 1455 O ALA A 417 95.665 9.617 2.992 1.00 0.00 O ATOM 1456 CB ALA A 417 97.637 11.777 2.969 1.00 0.00 C ATOM 0 H ALA A 417 95.664 12.763 4.088 1.00 0.00 H new ATOM 0 HA ALA A 417 96.346 12.343 1.340 1.00 0.00 H new ATOM 0 HB1 ALA A 417 98.324 11.214 2.338 1.00 0.00 H new ATOM 0 HB2 ALA A 417 98.018 12.789 3.108 1.00 0.00 H new ATOM 0 HB3 ALA A 417 97.550 11.286 3.938 1.00 0.00 H new ATOM 1462 N LYS A 418 95.390 10.127 0.812 1.00 0.00 N ATOM 1463 CA LYS A 418 94.871 8.806 0.444 1.00 0.00 C ATOM 1464 C LYS A 418 95.829 8.098 -0.518 1.00 0.00 C ATOM 1465 O LYS A 418 95.644 8.154 -1.734 1.00 0.00 O ATOM 1466 CB LYS A 418 93.511 8.972 -0.241 1.00 0.00 C ATOM 1467 CG LYS A 418 92.815 7.612 -0.346 1.00 0.00 C ATOM 1468 CD LYS A 418 91.675 7.695 -1.368 1.00 0.00 C ATOM 1469 CE LYS A 418 90.739 6.497 -1.193 1.00 0.00 C ATOM 1470 NZ LYS A 418 91.540 5.241 -1.174 1.00 0.00 N ATOM 0 H LYS A 418 95.450 10.785 0.035 1.00 0.00 H new ATOM 0 HA LYS A 418 94.770 8.206 1.348 1.00 0.00 H new ATOM 0 HB2 LYS A 418 92.890 9.666 0.326 1.00 0.00 H new ATOM 0 HB3 LYS A 418 93.643 9.401 -1.234 1.00 0.00 H new ATOM 0 HG2 LYS A 418 93.532 6.848 -0.647 1.00 0.00 H new ATOM 0 HG3 LYS A 418 92.423 7.316 0.627 1.00 0.00 H new ATOM 0 HD2 LYS A 418 91.121 8.624 -1.235 1.00 0.00 H new ATOM 0 HD3 LYS A 418 92.080 7.708 -2.380 1.00 0.00 H new ATOM 0 HE2 LYS A 418 90.174 6.595 -0.266 1.00 0.00 H new ATOM 0 HE3 LYS A 418 90.014 6.466 -2.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 418 91.009 4.483 -1.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 418 92.441 5.396 -1.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 418 91.730 4.965 -0.189 1.00 0.00 H new ATOM 1484 N PRO A 419 96.839 7.434 -0.007 1.00 0.00 N ATOM 1485 CA PRO A 419 97.827 6.705 -0.856 1.00 0.00 C ATOM 1486 C PRO A 419 97.147 5.844 -1.920 1.00 0.00 C ATOM 1487 O PRO A 419 96.275 5.034 -1.612 1.00 0.00 O ATOM 1488 CB PRO A 419 98.598 5.842 0.152 1.00 0.00 C ATOM 1489 CG PRO A 419 98.516 6.599 1.438 1.00 0.00 C ATOM 1490 CD PRO A 419 97.157 7.305 1.427 1.00 0.00 C ATOM 0 HA PRO A 419 98.469 7.382 -1.419 1.00 0.00 H new ATOM 0 HB2 PRO A 419 98.154 4.851 0.247 1.00 0.00 H new ATOM 0 HB3 PRO A 419 99.633 5.699 -0.159 1.00 0.00 H new ATOM 0 HG2 PRO A 419 98.600 5.927 2.292 1.00 0.00 H new ATOM 0 HG3 PRO A 419 99.329 7.320 1.519 1.00 0.00 H new ATOM 0 HD2 PRO A 419 96.400 6.724 1.954 1.00 0.00 H new ATOM 0 HD3 PRO A 419 97.208 8.279 1.915 1.00 0.00 H new ATOM 1498 N LEU A 420 97.555 6.028 -3.172 1.00 0.00 N ATOM 1499 CA LEU A 420 96.978 5.264 -4.271 1.00 0.00 C ATOM 1500 C LEU A 420 96.945 3.778 -3.929 1.00 0.00 C ATOM 1501 O LEU A 420 96.226 3.002 -4.561 1.00 0.00 O ATOM 1502 CB LEU A 420 97.799 5.490 -5.551 1.00 0.00 C ATOM 1503 CG LEU A 420 99.222 4.876 -5.404 1.00 0.00 C ATOM 1504 CD1 LEU A 420 99.295 3.513 -6.111 1.00 0.00 C ATOM 1505 CD2 LEU A 420 100.266 5.812 -6.032 1.00 0.00 C ATOM 0 H LEU A 420 98.277 6.694 -3.449 1.00 0.00 H new ATOM 0 HA LEU A 420 95.956 5.605 -4.435 1.00 0.00 H new ATOM 0 HB2 LEU A 420 97.288 5.039 -6.402 1.00 0.00 H new ATOM 0 HB3 LEU A 420 97.877 6.558 -5.756 1.00 0.00 H new ATOM 0 HG LEU A 420 99.428 4.747 -4.342 1.00 0.00 H new ATOM 0 HD11 LEU A 420 100.297 3.098 -5.998 1.00 0.00 H new ATOM 0 HD12 LEU A 420 98.568 2.833 -5.666 1.00 0.00 H new ATOM 0 HD13 LEU A 420 99.072 3.640 -7.170 1.00 0.00 H new ATOM 0 HD21 LEU A 420 101.258 5.374 -5.924 1.00 0.00 H new ATOM 0 HD22 LEU A 420 100.042 5.949 -7.090 1.00 0.00 H new ATOM 0 HD23 LEU A 420 100.239 6.778 -5.528 1.00 0.00 H new ATOM 1517 N ARG A 421 97.728 3.385 -2.927 1.00 0.00 N ATOM 1518 CA ARG A 421 97.785 1.987 -2.510 1.00 0.00 C ATOM 1519 C ARG A 421 96.392 1.363 -2.495 1.00 0.00 C ATOM 1520 O ARG A 421 96.249 0.142 -2.553 1.00 0.00 O ATOM 1521 CB ARG A 421 98.404 1.886 -1.114 1.00 0.00 C ATOM 1522 CG ARG A 421 98.756 0.428 -0.816 1.00 0.00 C ATOM 1523 CD ARG A 421 99.398 0.331 0.569 1.00 0.00 C ATOM 1524 NE ARG A 421 98.601 1.061 1.548 1.00 0.00 N ATOM 1525 CZ ARG A 421 97.509 0.525 2.084 1.00 0.00 C ATOM 1526 NH1 ARG A 421 97.135 -0.677 1.738 1.00 0.00 N ATOM 1527 NH2 ARG A 421 96.810 1.199 2.956 1.00 0.00 N ATOM 0 H ARG A 421 98.329 4.012 -2.391 1.00 0.00 H new ATOM 0 HA ARG A 421 98.401 1.444 -3.226 1.00 0.00 H new ATOM 0 HB2 ARG A 421 99.298 2.506 -1.055 1.00 0.00 H new ATOM 0 HB3 ARG A 421 97.705 2.263 -0.367 1.00 0.00 H new ATOM 0 HG2 ARG A 421 97.859 -0.189 -0.857 1.00 0.00 H new ATOM 0 HG3 ARG A 421 99.440 0.046 -1.573 1.00 0.00 H new ATOM 0 HD2 ARG A 421 99.483 -0.714 0.866 1.00 0.00 H new ATOM 0 HD3 ARG A 421 100.409 0.737 0.538 1.00 0.00 H new ATOM 0 HE ARG A 421 98.887 2.000 1.826 1.00 0.00 H new ATOM 0 HH11 ARG A 421 97.681 -1.205 1.057 1.00 0.00 H new ATOM 0 HH12 ARG A 421 96.297 -1.089 2.149 1.00 0.00 H new ATOM 0 HH21 ARG A 421 97.101 2.138 3.227 1.00 0.00 H new ATOM 0 HH22 ARG A 421 95.972 0.787 3.367 1.00 0.00 H new ATOM 1541 N GLN A 422 95.364 2.208 -2.415 1.00 0.00 N ATOM 1542 CA GLN A 422 93.978 1.732 -2.394 1.00 0.00 C ATOM 1543 C GLN A 422 93.313 1.973 -3.740 1.00 0.00 C ATOM 1544 O GLN A 422 92.961 1.026 -4.445 1.00 0.00 O ATOM 1545 CB GLN A 422 93.195 2.456 -1.297 1.00 0.00 C ATOM 1546 CG GLN A 422 93.845 2.184 0.061 1.00 0.00 C ATOM 1547 CD GLN A 422 93.533 0.762 0.513 1.00 0.00 C ATOM 1548 OE1 GLN A 422 92.429 0.487 0.983 1.00 0.00 O ATOM 1549 NE2 GLN A 422 94.446 -0.164 0.398 1.00 0.00 N ATOM 0 H GLN A 422 95.463 3.222 -2.364 1.00 0.00 H new ATOM 0 HA GLN A 422 93.982 0.661 -2.190 1.00 0.00 H new ATOM 0 HB2 GLN A 422 93.178 3.528 -1.495 1.00 0.00 H new ATOM 0 HB3 GLN A 422 92.159 2.116 -1.291 1.00 0.00 H new ATOM 0 HG2 GLN A 422 94.924 2.324 -0.008 1.00 0.00 H new ATOM 0 HG3 GLN A 422 93.478 2.898 0.799 1.00 0.00 H new ATOM 0 HE21 GLN A 422 95.360 0.067 0.008 1.00 0.00 H new ATOM 0 HE22 GLN A 422 94.245 -1.118 0.698 1.00 0.00 H new ATOM 1558 N VAL A 423 93.137 3.243 -4.095 1.00 0.00 N ATOM 1559 CA VAL A 423 92.509 3.594 -5.366 1.00 0.00 C ATOM 1560 C VAL A 423 93.007 2.683 -6.484 1.00 0.00 C ATOM 1561 O VAL A 423 92.359 2.545 -7.521 1.00 0.00 O ATOM 1562 CB VAL A 423 92.825 5.047 -5.717 1.00 0.00 C ATOM 1563 CG1 VAL A 423 91.978 5.482 -6.913 1.00 0.00 C ATOM 1564 CG2 VAL A 423 92.510 5.942 -4.517 1.00 0.00 C ATOM 0 H VAL A 423 93.418 4.041 -3.525 1.00 0.00 H new ATOM 0 HA VAL A 423 91.431 3.467 -5.263 1.00 0.00 H new ATOM 0 HB VAL A 423 93.881 5.136 -5.970 1.00 0.00 H new ATOM 0 HG11 VAL A 423 92.205 6.519 -7.162 1.00 0.00 H new ATOM 0 HG12 VAL A 423 92.203 4.846 -7.769 1.00 0.00 H new ATOM 0 HG13 VAL A 423 90.921 5.392 -6.662 1.00 0.00 H new ATOM 0 HG21 VAL A 423 92.735 6.979 -4.767 1.00 0.00 H new ATOM 0 HG22 VAL A 423 91.454 5.851 -4.263 1.00 0.00 H new ATOM 0 HG23 VAL A 423 93.116 5.634 -3.665 1.00 0.00 H new ATOM 1574 N GLN A 424 94.160 2.058 -6.262 1.00 0.00 N ATOM 1575 CA GLN A 424 94.731 1.158 -7.254 1.00 0.00 C ATOM 1576 C GLN A 424 93.713 0.094 -7.651 1.00 0.00 C ATOM 1577 O GLN A 424 93.942 -0.688 -8.574 1.00 0.00 O ATOM 1578 CB GLN A 424 95.989 0.488 -6.698 1.00 0.00 C ATOM 1579 CG GLN A 424 95.649 -0.258 -5.406 1.00 0.00 C ATOM 1580 CD GLN A 424 96.899 -0.933 -4.853 1.00 0.00 C ATOM 1581 OE1 GLN A 424 96.809 -1.767 -3.951 1.00 0.00 O ATOM 1582 NE2 GLN A 424 98.068 -0.622 -5.341 1.00 0.00 N ATOM 0 H GLN A 424 94.712 2.158 -5.410 1.00 0.00 H new ATOM 0 HA GLN A 424 94.998 1.740 -8.136 1.00 0.00 H new ATOM 0 HB2 GLN A 424 96.398 -0.206 -7.433 1.00 0.00 H new ATOM 0 HB3 GLN A 424 96.757 1.237 -6.505 1.00 0.00 H new ATOM 0 HG2 GLN A 424 95.245 0.437 -4.670 1.00 0.00 H new ATOM 0 HG3 GLN A 424 94.877 -1.003 -5.598 1.00 0.00 H new ATOM 0 HE21 GLN A 424 98.141 0.069 -6.088 1.00 0.00 H new ATOM 0 HE22 GLN A 424 98.909 -1.070 -4.976 1.00 0.00 H new