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 345 SER OG : rot 122:sc= 0.583 USER MOD Set 1.2: A 424 GLN : amide:sc= -0.236 K(o=0.35,f=-6.5!) USER MOD Set 2.1: A 390 SER OG : rot 61:sc= 1.16 USER MOD Set 2.2: A 393 TYR OH : rot -55:sc= 0.359 USER MOD Set 3.1: A 354 SER OG : rot 160:sc= -0.782 USER MOD Set 3.2: A 413 LYS NZ :NH3+ -118:sc= -2.82! (180deg=-5.56!) USER MOD Single : A 346 SER OG : rot -34:sc= 0.902 USER MOD Single : A 347 HIS : no HD1:sc= -0.286 X(o=-0.29,f=-0.14) USER MOD Single : A 348 TYR OH : rot 180:sc= 0 USER MOD Single : A 349 THR OG1 : rot 180:sc= -0.0518 USER MOD Single : A 351 GLN : amide:sc= -2.76! C(o=-2.8!,f=-8.9!) USER MOD Single : A 353 SER OG : rot -54:sc= 0.568 USER MOD Single : A 355 SER OG : rot 92:sc= -0.985! USER MOD Single : A 356 SER OG : rot -61:sc= 0.28 USER MOD Single : A 357 ASN : amide:sc= -2.76! C(o=-2.8!,f=-3.5!) USER MOD Single : A 358 TYR OH : rot 180:sc= 0 USER MOD Single : A 360 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 362 ASN : amide:sc= -0.396 K(o=-0.4,f=-2.3!) USER MOD Single : A 366 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0245) USER MOD Single : A 367 LYS NZ :NH3+ 160:sc= -0.0592 (180deg=-0.469) USER MOD Single : A 369 ASN : amide:sc= -1.47 K(o=-1.5,f=-0.65) USER MOD Single : A 371 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.135) USER MOD Single : A 372 ASN : amide:sc= -1.06 K(o=-1.1,f=-0.2) 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 180:sc= 0.154! USER MOD Single : A 379 THR OG1 : rot 43:sc= 0.11 USER MOD Single : A 381 ASN : amide:sc= -1.29 K(o=-1.3,f=-0.035!) USER MOD Single : A 383 GLN : amide:sc= -0.753 K(o=-0.75,f=0) USER MOD Single : A 386 TYR OH : rot 180:sc= 0 USER MOD Single : A 395 SER OG : rot 180:sc= 0 USER MOD Single : A 396 LYS NZ :NH3+ 159:sc= -0.0206 (180deg=-0.261) USER MOD Single : A 400 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -54:sc= 0.93 USER MOD Single : A 411 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 414 ASN : amide:sc= 0.00676 X(o=0.0068,f=0) USER MOD Single : A 418 LYS NZ :NH3+ -116:sc= -0.176 (180deg=-0.368) USER MOD Single : A 422 GLN : amide:sc= -2.87! C(o=-2.9!,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 321 N SER A 345 105.291 2.758 -6.915 1.00 0.00 N ATOM 322 CA SER A 345 104.106 2.919 -6.082 1.00 0.00 C ATOM 323 C SER A 345 104.332 4.007 -5.035 1.00 0.00 C ATOM 324 O SER A 345 103.403 4.418 -4.341 1.00 0.00 O ATOM 325 CB SER A 345 103.775 1.600 -5.384 1.00 0.00 C ATOM 326 OG SER A 345 102.445 1.653 -4.885 1.00 0.00 O ATOM 0 HA SER A 345 103.273 3.211 -6.721 1.00 0.00 H new ATOM 0 HB2 SER A 345 103.881 0.769 -6.082 1.00 0.00 H new ATOM 0 HB3 SER A 345 104.475 1.422 -4.568 1.00 0.00 H new ATOM 0 HG SER A 345 101.922 0.918 -5.268 1.00 0.00 H new ATOM 332 N SER A 346 105.575 4.468 -4.928 1.00 0.00 N ATOM 333 CA SER A 346 105.913 5.508 -3.964 1.00 0.00 C ATOM 334 C SER A 346 105.191 6.807 -4.303 1.00 0.00 C ATOM 335 O SER A 346 105.358 7.818 -3.620 1.00 0.00 O ATOM 336 CB SER A 346 107.422 5.747 -3.962 1.00 0.00 C ATOM 337 OG SER A 346 107.737 6.755 -3.009 1.00 0.00 O ATOM 0 H SER A 346 106.359 4.140 -5.493 1.00 0.00 H new ATOM 0 HA SER A 346 105.597 5.177 -2.975 1.00 0.00 H new ATOM 0 HB2 SER A 346 107.948 4.824 -3.719 1.00 0.00 H new ATOM 0 HB3 SER A 346 107.755 6.052 -4.954 1.00 0.00 H new ATOM 0 HG SER A 346 107.008 7.409 -2.971 1.00 0.00 H new ATOM 343 N HIS A 347 104.387 6.773 -5.362 1.00 0.00 N ATOM 344 CA HIS A 347 103.642 7.956 -5.785 1.00 0.00 C ATOM 345 C HIS A 347 102.378 8.118 -4.946 1.00 0.00 C ATOM 346 O HIS A 347 101.743 7.134 -4.568 1.00 0.00 O ATOM 347 CB HIS A 347 103.264 7.832 -7.262 1.00 0.00 C ATOM 348 CG HIS A 347 104.506 7.904 -8.106 1.00 0.00 C ATOM 349 ND1 HIS A 347 104.457 7.971 -9.489 1.00 0.00 N ATOM 350 CD2 HIS A 347 105.839 7.922 -7.777 1.00 0.00 C ATOM 351 CE1 HIS A 347 105.725 8.025 -9.938 1.00 0.00 C ATOM 352 NE2 HIS A 347 106.606 7.998 -8.935 1.00 0.00 N ATOM 0 H HIS A 347 104.235 5.946 -5.940 1.00 0.00 H new ATOM 0 HA HIS A 347 104.274 8.833 -5.644 1.00 0.00 H new ATOM 0 HB2 HIS A 347 102.746 6.889 -7.438 1.00 0.00 H new ATOM 0 HB3 HIS A 347 102.576 8.630 -7.540 1.00 0.00 H new ATOM 0 HD2 HIS A 347 106.232 7.883 -6.772 1.00 0.00 H new ATOM 0 HE1 HIS A 347 105.996 8.083 -10.982 1.00 0.00 H new ATOM 0 HE2 HIS A 347 107.623 8.027 -9.003 1.00 0.00 H new ATOM 361 N TYR A 348 102.018 9.369 -4.659 1.00 0.00 N ATOM 362 CA TYR A 348 100.823 9.666 -3.860 1.00 0.00 C ATOM 363 C TYR A 348 99.825 10.479 -4.675 1.00 0.00 C ATOM 364 O TYR A 348 100.154 11.014 -5.734 1.00 0.00 O ATOM 365 CB TYR A 348 101.221 10.455 -2.605 1.00 0.00 C ATOM 366 CG TYR A 348 101.820 9.518 -1.578 1.00 0.00 C ATOM 367 CD1 TYR A 348 103.041 8.886 -1.839 1.00 0.00 C ATOM 368 CD2 TYR A 348 101.156 9.282 -0.365 1.00 0.00 C ATOM 369 CE1 TYR A 348 103.598 8.018 -0.892 1.00 0.00 C ATOM 370 CE2 TYR A 348 101.713 8.415 0.581 1.00 0.00 C ATOM 371 CZ TYR A 348 102.934 7.783 0.318 1.00 0.00 C ATOM 372 OH TYR A 348 103.483 6.927 1.252 1.00 0.00 O ATOM 0 H TYR A 348 102.534 10.194 -4.966 1.00 0.00 H new ATOM 0 HA TYR A 348 100.357 8.725 -3.569 1.00 0.00 H new ATOM 0 HB2 TYR A 348 101.940 11.231 -2.865 1.00 0.00 H new ATOM 0 HB3 TYR A 348 100.348 10.956 -2.188 1.00 0.00 H new ATOM 0 HD1 TYR A 348 103.554 9.068 -2.772 1.00 0.00 H new ATOM 0 HD2 TYR A 348 100.214 9.770 -0.161 1.00 0.00 H new ATOM 0 HE1 TYR A 348 104.540 7.530 -1.095 1.00 0.00 H new ATOM 0 HE2 TYR A 348 101.201 8.233 1.514 1.00 0.00 H new ATOM 0 HH TYR A 348 102.896 6.877 2.035 1.00 0.00 H new ATOM 382 N THR A 349 98.599 10.565 -4.167 1.00 0.00 N ATOM 383 CA THR A 349 97.538 11.313 -4.836 1.00 0.00 C ATOM 384 C THR A 349 96.601 11.926 -3.800 1.00 0.00 C ATOM 385 O THR A 349 95.663 11.279 -3.337 1.00 0.00 O ATOM 386 CB THR A 349 96.751 10.380 -5.758 1.00 0.00 C ATOM 387 OG1 THR A 349 96.455 9.174 -5.068 1.00 0.00 O ATOM 388 CG2 THR A 349 97.581 10.067 -7.004 1.00 0.00 C ATOM 0 H THR A 349 98.315 10.125 -3.292 1.00 0.00 H new ATOM 0 HA THR A 349 97.984 12.112 -5.429 1.00 0.00 H new ATOM 0 HB THR A 349 95.822 10.865 -6.058 1.00 0.00 H new ATOM 0 HG1 THR A 349 95.949 8.576 -5.657 1.00 0.00 H new ATOM 0 HG21 THR A 349 97.018 9.402 -7.659 1.00 0.00 H new ATOM 0 HG22 THR A 349 97.806 10.993 -7.533 1.00 0.00 H new ATOM 0 HG23 THR A 349 98.512 9.583 -6.709 1.00 0.00 H new ATOM 396 N LEU A 350 96.861 13.178 -3.440 1.00 0.00 N ATOM 397 CA LEU A 350 96.034 13.865 -2.454 1.00 0.00 C ATOM 398 C LEU A 350 94.583 13.927 -2.914 1.00 0.00 C ATOM 399 O LEU A 350 94.282 13.726 -4.090 1.00 0.00 O ATOM 400 CB LEU A 350 96.556 15.286 -2.226 1.00 0.00 C ATOM 401 CG LEU A 350 98.033 15.242 -1.814 1.00 0.00 C ATOM 402 CD1 LEU A 350 98.575 16.672 -1.735 1.00 0.00 C ATOM 403 CD2 LEU A 350 98.181 14.558 -0.442 1.00 0.00 C ATOM 0 H LEU A 350 97.631 13.734 -3.812 1.00 0.00 H new ATOM 0 HA LEU A 350 96.084 13.304 -1.521 1.00 0.00 H new ATOM 0 HB2 LEU A 350 96.441 15.875 -3.136 1.00 0.00 H new ATOM 0 HB3 LEU A 350 95.968 15.778 -1.451 1.00 0.00 H new ATOM 0 HG LEU A 350 98.596 14.673 -2.554 1.00 0.00 H new ATOM 0 HD11 LEU A 350 99.625 16.648 -1.442 1.00 0.00 H new ATOM 0 HD12 LEU A 350 98.481 17.151 -2.710 1.00 0.00 H new ATOM 0 HD13 LEU A 350 98.006 17.237 -0.997 1.00 0.00 H new ATOM 0 HD21 LEU A 350 99.234 14.532 -0.160 1.00 0.00 H new ATOM 0 HD22 LEU A 350 97.618 15.117 0.306 1.00 0.00 H new ATOM 0 HD23 LEU A 350 97.796 13.540 -0.500 1.00 0.00 H new ATOM 415 N GLN A 351 93.687 14.216 -1.971 1.00 0.00 N ATOM 416 CA GLN A 351 92.256 14.317 -2.269 1.00 0.00 C ATOM 417 C GLN A 351 91.806 15.771 -2.189 1.00 0.00 C ATOM 418 O GLN A 351 91.953 16.417 -1.152 1.00 0.00 O ATOM 419 CB GLN A 351 91.453 13.481 -1.270 1.00 0.00 C ATOM 420 CG GLN A 351 89.957 13.666 -1.538 1.00 0.00 C ATOM 421 CD GLN A 351 89.158 12.600 -0.797 1.00 0.00 C ATOM 422 OE1 GLN A 351 89.329 11.408 -1.051 1.00 0.00 O ATOM 423 NE2 GLN A 351 88.291 12.960 0.109 1.00 0.00 N ATOM 0 H GLN A 351 93.925 14.385 -0.994 1.00 0.00 H new ATOM 0 HA GLN A 351 92.082 13.941 -3.277 1.00 0.00 H new ATOM 0 HB2 GLN A 351 91.722 12.429 -1.360 1.00 0.00 H new ATOM 0 HB3 GLN A 351 91.691 13.785 -0.251 1.00 0.00 H new ATOM 0 HG2 GLN A 351 89.642 14.658 -1.215 1.00 0.00 H new ATOM 0 HG3 GLN A 351 89.760 13.601 -2.608 1.00 0.00 H new ATOM 0 HE21 GLN A 351 88.152 13.949 0.317 1.00 0.00 H new ATOM 0 HE22 GLN A 351 87.753 12.253 0.609 1.00 0.00 H new ATOM 432 N LEU A 352 91.257 16.281 -3.292 1.00 0.00 N ATOM 433 CA LEU A 352 90.785 17.666 -3.347 1.00 0.00 C ATOM 434 C LEU A 352 89.313 17.718 -3.736 1.00 0.00 C ATOM 435 O LEU A 352 88.853 18.708 -4.301 1.00 0.00 O ATOM 436 CB LEU A 352 91.606 18.471 -4.366 1.00 0.00 C ATOM 437 CG LEU A 352 91.624 17.755 -5.740 1.00 0.00 C ATOM 438 CD1 LEU A 352 91.703 18.789 -6.869 1.00 0.00 C ATOM 439 CD2 LEU A 352 92.842 16.824 -5.844 1.00 0.00 C ATOM 0 H LEU A 352 91.128 15.758 -4.158 1.00 0.00 H new ATOM 0 HA LEU A 352 90.908 18.102 -2.356 1.00 0.00 H new ATOM 0 HB2 LEU A 352 91.182 19.469 -4.476 1.00 0.00 H new ATOM 0 HB3 LEU A 352 92.626 18.596 -4.002 1.00 0.00 H new ATOM 0 HG LEU A 352 90.708 17.171 -5.831 1.00 0.00 H new ATOM 0 HD11 LEU A 352 91.715 18.277 -7.831 1.00 0.00 H new ATOM 0 HD12 LEU A 352 90.836 19.448 -6.820 1.00 0.00 H new ATOM 0 HD13 LEU A 352 92.614 19.378 -6.760 1.00 0.00 H new ATOM 0 HD21 LEU A 352 92.840 16.329 -6.815 1.00 0.00 H new ATOM 0 HD22 LEU A 352 93.756 17.408 -5.737 1.00 0.00 H new ATOM 0 HD23 LEU A 352 92.795 16.074 -5.054 1.00 0.00 H new ATOM 451 N SER A 353 88.578 16.651 -3.434 1.00 0.00 N ATOM 452 CA SER A 353 87.154 16.602 -3.765 1.00 0.00 C ATOM 453 C SER A 353 86.422 15.601 -2.874 1.00 0.00 C ATOM 454 O SER A 353 86.941 14.527 -2.572 1.00 0.00 O ATOM 455 CB SER A 353 86.974 16.208 -5.230 1.00 0.00 C ATOM 456 OG SER A 353 87.467 14.889 -5.427 1.00 0.00 O ATOM 0 H SER A 353 88.937 15.818 -2.967 1.00 0.00 H new ATOM 0 HA SER A 353 86.731 17.592 -3.597 1.00 0.00 H new ATOM 0 HB2 SER A 353 85.921 16.260 -5.505 1.00 0.00 H new ATOM 0 HB3 SER A 353 87.506 16.907 -5.874 1.00 0.00 H new ATOM 0 HG SER A 353 88.391 14.834 -5.106 1.00 0.00 H new ATOM 462 N SER A 354 85.209 15.966 -2.453 1.00 0.00 N ATOM 463 CA SER A 354 84.407 15.097 -1.592 1.00 0.00 C ATOM 464 C SER A 354 82.913 15.306 -1.839 1.00 0.00 C ATOM 465 O SER A 354 82.448 16.436 -1.989 1.00 0.00 O ATOM 466 CB SER A 354 84.724 15.385 -0.125 1.00 0.00 C ATOM 467 OG SER A 354 84.310 16.707 0.194 1.00 0.00 O ATOM 0 H SER A 354 84.764 16.852 -2.693 1.00 0.00 H new ATOM 0 HA SER A 354 84.656 14.063 -1.828 1.00 0.00 H new ATOM 0 HB2 SER A 354 84.214 14.667 0.517 1.00 0.00 H new ATOM 0 HB3 SER A 354 85.793 15.272 0.057 1.00 0.00 H new ATOM 0 HG SER A 354 84.208 16.792 1.165 1.00 0.00 H new ATOM 473 N SER A 355 82.171 14.202 -1.875 1.00 0.00 N ATOM 474 CA SER A 355 80.727 14.254 -2.097 1.00 0.00 C ATOM 475 C SER A 355 80.194 12.853 -2.393 1.00 0.00 C ATOM 476 O SER A 355 80.948 11.880 -2.369 1.00 0.00 O ATOM 477 CB SER A 355 80.406 15.200 -3.262 1.00 0.00 C ATOM 478 OG SER A 355 79.205 14.783 -3.897 1.00 0.00 O ATOM 0 H SER A 355 82.545 13.261 -1.753 1.00 0.00 H new ATOM 0 HA SER A 355 80.244 14.632 -1.196 1.00 0.00 H new ATOM 0 HB2 SER A 355 80.300 16.221 -2.896 1.00 0.00 H new ATOM 0 HB3 SER A 355 81.227 15.202 -3.979 1.00 0.00 H new ATOM 0 HG SER A 355 78.443 15.247 -3.492 1.00 0.00 H new ATOM 484 N SER A 356 78.892 12.750 -2.664 1.00 0.00 N ATOM 485 CA SER A 356 78.274 11.451 -2.955 1.00 0.00 C ATOM 486 C SER A 356 77.255 11.573 -4.085 1.00 0.00 C ATOM 487 O SER A 356 76.169 10.997 -4.015 1.00 0.00 O ATOM 488 CB SER A 356 77.579 10.917 -1.701 1.00 0.00 C ATOM 489 OG SER A 356 77.251 9.548 -1.893 1.00 0.00 O ATOM 0 H SER A 356 78.248 13.541 -2.689 1.00 0.00 H new ATOM 0 HA SER A 356 79.059 10.761 -3.266 1.00 0.00 H new ATOM 0 HB2 SER A 356 78.231 11.029 -0.835 1.00 0.00 H new ATOM 0 HB3 SER A 356 76.677 11.494 -1.498 1.00 0.00 H new ATOM 0 HG SER A 356 76.637 9.462 -2.652 1.00 0.00 H new ATOM 495 N ASN A 357 77.614 12.319 -5.124 1.00 0.00 N ATOM 496 CA ASN A 357 76.722 12.502 -6.265 1.00 0.00 C ATOM 497 C ASN A 357 77.498 13.019 -7.475 1.00 0.00 C ATOM 498 O ASN A 357 78.309 13.936 -7.358 1.00 0.00 O ATOM 499 CB ASN A 357 75.608 13.491 -5.904 1.00 0.00 C ATOM 500 CG ASN A 357 74.570 12.814 -5.014 1.00 0.00 C ATOM 501 OD1 ASN A 357 74.579 12.996 -3.797 1.00 0.00 O ATOM 502 ND2 ASN A 357 73.670 12.038 -5.554 1.00 0.00 N ATOM 0 H ASN A 357 78.508 12.803 -5.201 1.00 0.00 H new ATOM 0 HA ASN A 357 76.281 11.538 -6.518 1.00 0.00 H new ATOM 0 HB2 ASN A 357 76.031 14.354 -5.390 1.00 0.00 H new ATOM 0 HB3 ASN A 357 75.133 13.862 -6.812 1.00 0.00 H new ATOM 0 HD21 ASN A 357 72.972 11.581 -4.967 1.00 0.00 H new ATOM 0 HD22 ASN A 357 73.665 11.889 -6.563 1.00 0.00 H new ATOM 509 N TYR A 358 77.242 12.422 -8.637 1.00 0.00 N ATOM 510 CA TYR A 358 77.922 12.832 -9.862 1.00 0.00 C ATOM 511 C TYR A 358 77.392 14.179 -10.345 1.00 0.00 C ATOM 512 O TYR A 358 78.155 15.124 -10.537 1.00 0.00 O ATOM 513 CB TYR A 358 77.719 11.778 -10.953 1.00 0.00 C ATOM 514 CG TYR A 358 78.518 12.160 -12.177 1.00 0.00 C ATOM 515 CD1 TYR A 358 78.021 13.123 -13.063 1.00 0.00 C ATOM 516 CD2 TYR A 358 79.756 11.552 -12.426 1.00 0.00 C ATOM 517 CE1 TYR A 358 78.760 13.478 -14.197 1.00 0.00 C ATOM 518 CE2 TYR A 358 80.494 11.908 -13.561 1.00 0.00 C ATOM 519 CZ TYR A 358 79.995 12.871 -14.447 1.00 0.00 C ATOM 520 OH TYR A 358 80.724 13.222 -15.565 1.00 0.00 O ATOM 0 H TYR A 358 76.575 11.660 -8.755 1.00 0.00 H new ATOM 0 HA TYR A 358 78.986 12.930 -9.648 1.00 0.00 H new ATOM 0 HB2 TYR A 358 78.034 10.799 -10.591 1.00 0.00 H new ATOM 0 HB3 TYR A 358 76.662 11.700 -11.206 1.00 0.00 H new ATOM 0 HD1 TYR A 358 77.067 13.592 -12.871 1.00 0.00 H new ATOM 0 HD2 TYR A 358 80.140 10.809 -11.743 1.00 0.00 H new ATOM 0 HE1 TYR A 358 78.376 14.222 -14.880 1.00 0.00 H new ATOM 0 HE2 TYR A 358 81.448 11.440 -13.753 1.00 0.00 H new ATOM 0 HH TYR A 358 81.557 12.707 -15.587 1.00 0.00 H new ATOM 530 N ASP A 359 76.083 14.263 -10.543 1.00 0.00 N ATOM 531 CA ASP A 359 75.475 15.507 -11.002 1.00 0.00 C ATOM 532 C ASP A 359 75.932 16.673 -10.131 1.00 0.00 C ATOM 533 O ASP A 359 76.561 17.615 -10.616 1.00 0.00 O ATOM 534 CB ASP A 359 73.950 15.394 -10.952 1.00 0.00 C ATOM 535 CG ASP A 359 73.315 16.607 -11.621 1.00 0.00 C ATOM 536 OD1 ASP A 359 74.016 17.585 -11.817 1.00 0.00 O ATOM 537 OD2 ASP A 359 72.136 16.539 -11.930 1.00 0.00 O ATOM 0 H ASP A 359 75.428 13.495 -10.395 1.00 0.00 H new ATOM 0 HA ASP A 359 75.789 15.689 -12.030 1.00 0.00 H new ATOM 0 HB2 ASP A 359 73.628 14.482 -11.454 1.00 0.00 H new ATOM 0 HB3 ASP A 359 73.616 15.323 -9.917 1.00 0.00 H new ATOM 542 N ASN A 360 75.607 16.604 -8.844 1.00 0.00 N ATOM 543 CA ASN A 360 75.984 17.659 -7.911 1.00 0.00 C ATOM 544 C ASN A 360 77.482 17.946 -7.990 1.00 0.00 C ATOM 545 O ASN A 360 77.906 19.099 -7.895 1.00 0.00 O ATOM 546 CB ASN A 360 75.618 17.250 -6.482 1.00 0.00 C ATOM 547 CG ASN A 360 75.631 18.470 -5.567 1.00 0.00 C ATOM 548 OD1 ASN A 360 76.694 18.891 -5.109 1.00 0.00 O ATOM 549 ND2 ASN A 360 74.509 19.066 -5.271 1.00 0.00 N ATOM 0 H ASN A 360 75.086 15.833 -8.425 1.00 0.00 H new ATOM 0 HA ASN A 360 75.440 18.563 -8.183 1.00 0.00 H new ATOM 0 HB2 ASN A 360 74.631 16.787 -6.470 1.00 0.00 H new ATOM 0 HB3 ASN A 360 76.324 16.505 -6.117 1.00 0.00 H new ATOM 0 HD21 ASN A 360 74.511 19.882 -4.659 1.00 0.00 H new ATOM 0 HD22 ASN A 360 73.630 18.716 -5.651 1.00 0.00 H new ATOM 556 N LEU A 361 78.279 16.895 -8.165 1.00 0.00 N ATOM 557 CA LEU A 361 79.726 17.061 -8.254 1.00 0.00 C ATOM 558 C LEU A 361 80.089 17.876 -9.491 1.00 0.00 C ATOM 559 O LEU A 361 80.789 18.884 -9.396 1.00 0.00 O ATOM 560 CB LEU A 361 80.415 15.688 -8.303 1.00 0.00 C ATOM 561 CG LEU A 361 81.916 15.849 -8.606 1.00 0.00 C ATOM 562 CD1 LEU A 361 82.544 16.846 -7.623 1.00 0.00 C ATOM 563 CD2 LEU A 361 82.612 14.485 -8.478 1.00 0.00 C ATOM 0 H LEU A 361 77.953 15.932 -8.247 1.00 0.00 H new ATOM 0 HA LEU A 361 80.071 17.596 -7.369 1.00 0.00 H new ATOM 0 HB2 LEU A 361 80.283 15.174 -7.351 1.00 0.00 H new ATOM 0 HB3 LEU A 361 79.948 15.067 -9.068 1.00 0.00 H new ATOM 0 HG LEU A 361 82.040 16.227 -9.621 1.00 0.00 H new ATOM 0 HD11 LEU A 361 83.606 16.955 -7.844 1.00 0.00 H new ATOM 0 HD12 LEU A 361 82.052 17.814 -7.722 1.00 0.00 H new ATOM 0 HD13 LEU A 361 82.421 16.479 -6.604 1.00 0.00 H new ATOM 0 HD21 LEU A 361 83.675 14.597 -8.692 1.00 0.00 H new ATOM 0 HD22 LEU A 361 82.484 14.105 -7.464 1.00 0.00 H new ATOM 0 HD23 LEU A 361 82.171 13.784 -9.187 1.00 0.00 H new ATOM 575 N ASN A 362 79.605 17.440 -10.651 1.00 0.00 N ATOM 576 CA ASN A 362 79.887 18.147 -11.895 1.00 0.00 C ATOM 577 C ASN A 362 79.693 19.647 -11.703 1.00 0.00 C ATOM 578 O ASN A 362 80.493 20.454 -12.174 1.00 0.00 O ATOM 579 CB ASN A 362 78.960 17.646 -13.003 1.00 0.00 C ATOM 580 CG ASN A 362 79.337 18.295 -14.331 1.00 0.00 C ATOM 581 OD1 ASN A 362 79.187 19.505 -14.496 1.00 0.00 O ATOM 582 ND2 ASN A 362 79.821 17.558 -15.292 1.00 0.00 N ATOM 0 H ASN A 362 79.022 16.610 -10.755 1.00 0.00 H new ATOM 0 HA ASN A 362 80.922 17.956 -12.179 1.00 0.00 H new ATOM 0 HB2 ASN A 362 79.031 16.561 -13.086 1.00 0.00 H new ATOM 0 HB3 ASN A 362 77.924 17.880 -12.756 1.00 0.00 H new ATOM 0 HD21 ASN A 362 80.076 17.985 -16.183 1.00 0.00 H new ATOM 0 HD22 ASN A 362 79.944 16.555 -15.153 1.00 0.00 H new ATOM 589 N GLY A 363 78.625 20.011 -11.006 1.00 0.00 N ATOM 590 CA GLY A 363 78.335 21.415 -10.754 1.00 0.00 C ATOM 591 C GLY A 363 79.481 22.077 -9.996 1.00 0.00 C ATOM 592 O GLY A 363 79.827 23.228 -10.263 1.00 0.00 O ATOM 0 H GLY A 363 77.950 19.358 -10.608 1.00 0.00 H new ATOM 0 HA2 GLY A 363 78.171 21.933 -11.699 1.00 0.00 H new ATOM 0 HA3 GLY A 363 77.413 21.503 -10.179 1.00 0.00 H new ATOM 596 N TRP A 364 80.062 21.349 -9.045 1.00 0.00 N ATOM 597 CA TRP A 364 81.165 21.883 -8.248 1.00 0.00 C ATOM 598 C TRP A 364 82.496 21.745 -8.983 1.00 0.00 C ATOM 599 O TRP A 364 83.192 22.733 -9.215 1.00 0.00 O ATOM 600 CB TRP A 364 81.246 21.138 -6.914 1.00 0.00 C ATOM 601 CG TRP A 364 82.347 21.725 -6.093 1.00 0.00 C ATOM 602 CD1 TRP A 364 82.344 22.976 -5.578 1.00 0.00 C ATOM 603 CD2 TRP A 364 83.610 21.116 -5.688 1.00 0.00 C ATOM 604 NE1 TRP A 364 83.525 23.176 -4.884 1.00 0.00 N ATOM 605 CE2 TRP A 364 84.337 22.061 -4.923 1.00 0.00 C ATOM 606 CE3 TRP A 364 84.192 19.851 -5.905 1.00 0.00 C ATOM 607 CZ2 TRP A 364 85.593 21.764 -4.397 1.00 0.00 C ATOM 608 CZ3 TRP A 364 85.457 19.553 -5.375 1.00 0.00 C ATOM 609 CH2 TRP A 364 86.154 20.507 -4.624 1.00 0.00 C ATOM 0 H TRP A 364 79.790 20.395 -8.808 1.00 0.00 H new ATOM 0 HA TRP A 364 80.974 22.942 -8.074 1.00 0.00 H new ATOM 0 HB2 TRP A 364 80.298 21.215 -6.382 1.00 0.00 H new ATOM 0 HB3 TRP A 364 81.429 20.077 -7.086 1.00 0.00 H new ATOM 0 HD1 TRP A 364 81.550 23.700 -5.690 1.00 0.00 H new ATOM 0 HE1 TRP A 364 83.766 24.042 -4.402 1.00 0.00 H new ATOM 0 HE3 TRP A 364 83.662 19.107 -6.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 364 86.128 22.502 -3.818 1.00 0.00 H new ATOM 0 HZ3 TRP A 364 85.896 18.581 -5.548 1.00 0.00 H new ATOM 0 HH2 TRP A 364 87.127 20.270 -4.220 1.00 0.00 H new ATOM 620 N ALA A 365 82.852 20.512 -9.334 1.00 0.00 N ATOM 621 CA ALA A 365 84.112 20.251 -10.031 1.00 0.00 C ATOM 622 C ALA A 365 84.401 21.328 -11.076 1.00 0.00 C ATOM 623 O ALA A 365 85.556 21.681 -11.313 1.00 0.00 O ATOM 624 CB ALA A 365 84.057 18.883 -10.713 1.00 0.00 C ATOM 0 H ALA A 365 82.290 19.681 -9.149 1.00 0.00 H new ATOM 0 HA ALA A 365 84.913 20.264 -9.292 1.00 0.00 H new ATOM 0 HB1 ALA A 365 84.998 18.696 -11.230 1.00 0.00 H new ATOM 0 HB2 ALA A 365 83.895 18.109 -9.963 1.00 0.00 H new ATOM 0 HB3 ALA A 365 83.239 18.868 -11.433 1.00 0.00 H new ATOM 630 N LYS A 366 83.344 21.849 -11.694 1.00 0.00 N ATOM 631 CA LYS A 366 83.493 22.891 -12.711 1.00 0.00 C ATOM 632 C LYS A 366 83.441 24.275 -12.063 1.00 0.00 C ATOM 633 O LYS A 366 84.024 25.231 -12.574 1.00 0.00 O ATOM 634 CB LYS A 366 82.371 22.760 -13.759 1.00 0.00 C ATOM 635 CG LYS A 366 82.753 21.710 -14.814 1.00 0.00 C ATOM 636 CD LYS A 366 83.191 20.411 -14.128 1.00 0.00 C ATOM 637 CE LYS A 366 83.143 19.258 -15.133 1.00 0.00 C ATOM 638 NZ LYS A 366 83.493 17.983 -14.445 1.00 0.00 N ATOM 0 H LYS A 366 82.380 21.570 -11.511 1.00 0.00 H new ATOM 0 HA LYS A 366 84.459 22.770 -13.201 1.00 0.00 H new ATOM 0 HB2 LYS A 366 81.439 22.474 -13.271 1.00 0.00 H new ATOM 0 HB3 LYS A 366 82.197 23.723 -14.239 1.00 0.00 H new ATOM 0 HG2 LYS A 366 81.904 21.516 -15.470 1.00 0.00 H new ATOM 0 HG3 LYS A 366 83.560 22.090 -15.441 1.00 0.00 H new ATOM 0 HD2 LYS A 366 84.201 20.520 -13.732 1.00 0.00 H new ATOM 0 HD3 LYS A 366 82.538 20.197 -13.282 1.00 0.00 H new ATOM 0 HE2 LYS A 366 82.148 19.185 -15.572 1.00 0.00 H new ATOM 0 HE3 LYS A 366 83.839 19.445 -15.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 366 83.593 17.225 -15.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 366 84.390 18.100 -13.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 366 82.740 17.733 -13.772 1.00 0.00 H new ATOM 652 N LYS A 367 82.742 24.373 -10.936 1.00 0.00 N ATOM 653 CA LYS A 367 82.625 25.644 -10.231 1.00 0.00 C ATOM 654 C LYS A 367 84.006 26.228 -9.944 1.00 0.00 C ATOM 655 O LYS A 367 84.371 27.274 -10.481 1.00 0.00 O ATOM 656 CB LYS A 367 81.872 25.444 -8.914 1.00 0.00 C ATOM 657 CG LYS A 367 81.726 26.789 -8.200 1.00 0.00 C ATOM 658 CD LYS A 367 80.750 26.645 -7.030 1.00 0.00 C ATOM 659 CE LYS A 367 80.593 27.995 -6.327 1.00 0.00 C ATOM 660 NZ LYS A 367 79.941 28.964 -7.252 1.00 0.00 N ATOM 0 H LYS A 367 82.252 23.595 -10.495 1.00 0.00 H new ATOM 0 HA LYS A 367 82.073 26.338 -10.864 1.00 0.00 H new ATOM 0 HB2 LYS A 367 80.889 25.014 -9.107 1.00 0.00 H new ATOM 0 HB3 LYS A 367 82.409 24.740 -8.279 1.00 0.00 H new ATOM 0 HG2 LYS A 367 82.697 27.127 -7.838 1.00 0.00 H new ATOM 0 HG3 LYS A 367 81.365 27.545 -8.897 1.00 0.00 H new ATOM 0 HD2 LYS A 367 79.782 26.296 -7.391 1.00 0.00 H new ATOM 0 HD3 LYS A 367 81.117 25.897 -6.327 1.00 0.00 H new ATOM 0 HE2 LYS A 367 79.994 27.879 -5.424 1.00 0.00 H new ATOM 0 HE3 LYS A 367 81.568 28.371 -6.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 367 79.530 29.746 -6.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 367 80.648 29.341 -7.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 367 79.189 28.483 -7.785 1.00 0.00 H new ATOM 674 N GLU A 368 84.768 25.544 -9.096 1.00 0.00 N ATOM 675 CA GLU A 368 86.108 26.005 -8.748 1.00 0.00 C ATOM 676 C GLU A 368 87.029 25.934 -9.960 1.00 0.00 C ATOM 677 O GLU A 368 88.161 26.416 -9.922 1.00 0.00 O ATOM 678 CB GLU A 368 86.680 25.144 -7.619 1.00 0.00 C ATOM 679 CG GLU A 368 85.897 25.399 -6.330 1.00 0.00 C ATOM 680 CD GLU A 368 86.581 24.701 -5.159 1.00 0.00 C ATOM 681 OE1 GLU A 368 87.337 23.777 -5.406 1.00 0.00 O ATOM 682 OE2 GLU A 368 86.338 25.102 -4.033 1.00 0.00 O ATOM 0 H GLU A 368 84.484 24.676 -8.641 1.00 0.00 H new ATOM 0 HA GLU A 368 86.041 27.041 -8.416 1.00 0.00 H new ATOM 0 HB2 GLU A 368 86.623 24.089 -7.888 1.00 0.00 H new ATOM 0 HB3 GLU A 368 87.734 25.378 -7.468 1.00 0.00 H new ATOM 0 HG2 GLU A 368 85.833 26.470 -6.139 1.00 0.00 H new ATOM 0 HG3 GLU A 368 84.876 25.033 -6.436 1.00 0.00 H new ATOM 689 N ASN A 369 86.534 25.329 -11.035 1.00 0.00 N ATOM 690 CA ASN A 369 87.318 25.196 -12.257 1.00 0.00 C ATOM 691 C ASN A 369 88.639 24.487 -11.978 1.00 0.00 C ATOM 692 O ASN A 369 89.709 24.990 -12.322 1.00 0.00 O ATOM 693 CB ASN A 369 87.593 26.578 -12.855 1.00 0.00 C ATOM 694 CG ASN A 369 86.278 27.291 -13.149 1.00 0.00 C ATOM 695 OD1 ASN A 369 85.989 28.332 -12.560 1.00 0.00 O ATOM 696 ND2 ASN A 369 85.458 26.788 -14.032 1.00 0.00 N ATOM 0 H ASN A 369 85.599 24.925 -11.085 1.00 0.00 H new ATOM 0 HA ASN A 369 86.745 24.600 -12.967 1.00 0.00 H new ATOM 0 HB2 ASN A 369 88.190 27.171 -12.162 1.00 0.00 H new ATOM 0 HB3 ASN A 369 88.174 26.477 -13.772 1.00 0.00 H new ATOM 0 HD21 ASN A 369 84.576 27.258 -14.235 1.00 0.00 H new ATOM 0 HD22 ASN A 369 85.700 25.925 -14.519 1.00 0.00 H new ATOM 703 N LEU A 370 88.557 23.313 -11.359 1.00 0.00 N ATOM 704 CA LEU A 370 89.756 22.542 -11.048 1.00 0.00 C ATOM 705 C LEU A 370 90.587 22.329 -12.311 1.00 0.00 C ATOM 706 O LEU A 370 90.093 21.798 -13.304 1.00 0.00 O ATOM 707 CB LEU A 370 89.371 21.182 -10.456 1.00 0.00 C ATOM 708 CG LEU A 370 88.295 21.363 -9.378 1.00 0.00 C ATOM 709 CD1 LEU A 370 88.002 20.011 -8.720 1.00 0.00 C ATOM 710 CD2 LEU A 370 88.788 22.353 -8.316 1.00 0.00 C ATOM 0 H LEU A 370 87.682 22.878 -11.065 1.00 0.00 H new ATOM 0 HA LEU A 370 90.345 23.098 -10.319 1.00 0.00 H new ATOM 0 HB2 LEU A 370 89.001 20.525 -11.243 1.00 0.00 H new ATOM 0 HB3 LEU A 370 90.250 20.701 -10.027 1.00 0.00 H new ATOM 0 HG LEU A 370 87.385 21.751 -9.837 1.00 0.00 H new ATOM 0 HD11 LEU A 370 87.237 20.137 -7.953 1.00 0.00 H new ATOM 0 HD12 LEU A 370 87.647 19.309 -9.474 1.00 0.00 H new ATOM 0 HD13 LEU A 370 88.913 19.624 -8.264 1.00 0.00 H new ATOM 0 HD21 LEU A 370 88.021 22.479 -7.552 1.00 0.00 H new ATOM 0 HD22 LEU A 370 89.699 21.970 -7.856 1.00 0.00 H new ATOM 0 HD23 LEU A 370 88.995 23.315 -8.784 1.00 0.00 H new ATOM 722 N LYS A 371 91.850 22.747 -12.270 1.00 0.00 N ATOM 723 CA LYS A 371 92.736 22.595 -13.423 1.00 0.00 C ATOM 724 C LYS A 371 93.407 21.223 -13.399 1.00 0.00 C ATOM 725 O LYS A 371 93.860 20.761 -12.351 1.00 0.00 O ATOM 726 CB LYS A 371 93.808 23.701 -13.417 1.00 0.00 C ATOM 727 CG LYS A 371 94.307 23.960 -11.977 1.00 0.00 C ATOM 728 CD LYS A 371 93.494 25.090 -11.327 1.00 0.00 C ATOM 729 CE LYS A 371 93.717 25.077 -9.813 1.00 0.00 C ATOM 730 NZ LYS A 371 95.153 25.351 -9.520 1.00 0.00 N ATOM 0 H LYS A 371 92.281 23.190 -11.459 1.00 0.00 H new ATOM 0 HA LYS A 371 92.141 22.681 -14.332 1.00 0.00 H new ATOM 0 HB2 LYS A 371 94.645 23.409 -14.052 1.00 0.00 H new ATOM 0 HB3 LYS A 371 93.395 24.619 -13.836 1.00 0.00 H new ATOM 0 HG2 LYS A 371 94.216 23.050 -11.384 1.00 0.00 H new ATOM 0 HG3 LYS A 371 95.364 24.226 -11.993 1.00 0.00 H new ATOM 0 HD2 LYS A 371 93.795 26.053 -11.741 1.00 0.00 H new ATOM 0 HD3 LYS A 371 92.434 24.964 -11.550 1.00 0.00 H new ATOM 0 HE2 LYS A 371 93.088 25.828 -9.335 1.00 0.00 H new ATOM 0 HE3 LYS A 371 93.429 24.110 -9.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 371 95.267 25.560 -8.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 371 95.723 24.517 -9.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 371 95.472 26.167 -10.080 1.00 0.00 H new ATOM 744 N ASN A 372 93.465 20.575 -14.559 1.00 0.00 N ATOM 745 CA ASN A 372 94.079 19.256 -14.655 1.00 0.00 C ATOM 746 C ASN A 372 93.379 18.277 -13.720 1.00 0.00 C ATOM 747 O ASN A 372 93.674 18.225 -12.526 1.00 0.00 O ATOM 748 CB ASN A 372 95.562 19.341 -14.290 1.00 0.00 C ATOM 749 CG ASN A 372 96.267 18.042 -14.664 1.00 0.00 C ATOM 750 OD1 ASN A 372 97.085 18.020 -15.585 1.00 0.00 O ATOM 751 ND2 ASN A 372 95.999 16.951 -14.001 1.00 0.00 N ATOM 0 H ASN A 372 93.097 20.939 -15.438 1.00 0.00 H new ATOM 0 HA ASN A 372 93.979 18.901 -15.681 1.00 0.00 H new ATOM 0 HB2 ASN A 372 96.026 20.179 -14.811 1.00 0.00 H new ATOM 0 HB3 ASN A 372 95.672 19.529 -13.222 1.00 0.00 H new ATOM 0 HD21 ASN A 372 96.467 16.078 -14.245 1.00 0.00 H new ATOM 0 HD22 ASN A 372 95.322 16.971 -13.239 1.00 0.00 H new ATOM 758 N TYR A 373 92.441 17.510 -14.267 1.00 0.00 N ATOM 759 CA TYR A 373 91.700 16.544 -13.465 1.00 0.00 C ATOM 760 C TYR A 373 90.831 15.655 -14.352 1.00 0.00 C ATOM 761 O TYR A 373 90.459 16.039 -15.459 1.00 0.00 O ATOM 762 CB TYR A 373 90.814 17.283 -12.458 1.00 0.00 C ATOM 763 CG TYR A 373 89.727 18.032 -13.200 1.00 0.00 C ATOM 764 CD1 TYR A 373 90.054 19.147 -13.981 1.00 0.00 C ATOM 765 CD2 TYR A 373 88.395 17.607 -13.112 1.00 0.00 C ATOM 766 CE1 TYR A 373 89.051 19.836 -14.673 1.00 0.00 C ATOM 767 CE2 TYR A 373 87.392 18.296 -13.805 1.00 0.00 C ATOM 768 CZ TYR A 373 87.720 19.410 -14.586 1.00 0.00 C ATOM 769 OH TYR A 373 86.731 20.088 -15.269 1.00 0.00 O ATOM 0 H TYR A 373 92.178 17.538 -15.252 1.00 0.00 H new ATOM 0 HA TYR A 373 92.415 15.914 -12.936 1.00 0.00 H new ATOM 0 HB2 TYR A 373 90.370 16.574 -11.759 1.00 0.00 H new ATOM 0 HB3 TYR A 373 91.414 17.978 -11.870 1.00 0.00 H new ATOM 0 HD1 TYR A 373 91.080 19.476 -14.050 1.00 0.00 H new ATOM 0 HD2 TYR A 373 88.142 16.747 -12.509 1.00 0.00 H new ATOM 0 HE1 TYR A 373 89.304 20.697 -15.274 1.00 0.00 H new ATOM 0 HE2 TYR A 373 86.365 17.968 -13.737 1.00 0.00 H new ATOM 0 HH TYR A 373 85.865 19.661 -15.101 1.00 0.00 H new ATOM 779 N VAL A 374 90.510 14.464 -13.849 1.00 0.00 N ATOM 780 CA VAL A 374 89.680 13.514 -14.591 1.00 0.00 C ATOM 781 C VAL A 374 88.710 12.812 -13.645 1.00 0.00 C ATOM 782 O VAL A 374 89.110 12.294 -12.603 1.00 0.00 O ATOM 783 CB VAL A 374 90.565 12.476 -15.281 1.00 0.00 C ATOM 784 CG1 VAL A 374 91.382 11.717 -14.233 1.00 0.00 C ATOM 785 CG2 VAL A 374 89.684 11.490 -16.054 1.00 0.00 C ATOM 0 H VAL A 374 90.811 14.133 -12.932 1.00 0.00 H new ATOM 0 HA VAL A 374 89.111 14.060 -15.344 1.00 0.00 H new ATOM 0 HB VAL A 374 91.243 12.979 -15.971 1.00 0.00 H new ATOM 0 HG11 VAL A 374 92.012 10.978 -14.728 1.00 0.00 H new ATOM 0 HG12 VAL A 374 92.009 12.418 -13.683 1.00 0.00 H new ATOM 0 HG13 VAL A 374 90.707 11.213 -13.541 1.00 0.00 H new ATOM 0 HG21 VAL A 374 90.313 10.749 -16.547 1.00 0.00 H new ATOM 0 HG22 VAL A 374 89.006 10.989 -15.363 1.00 0.00 H new ATOM 0 HG23 VAL A 374 89.105 12.030 -16.803 1.00 0.00 H new ATOM 795 N VAL A 375 87.430 12.801 -14.015 1.00 0.00 N ATOM 796 CA VAL A 375 86.402 12.163 -13.193 1.00 0.00 C ATOM 797 C VAL A 375 86.203 10.711 -13.616 1.00 0.00 C ATOM 798 O VAL A 375 86.118 10.409 -14.807 1.00 0.00 O ATOM 799 CB VAL A 375 85.081 12.921 -13.344 1.00 0.00 C ATOM 800 CG1 VAL A 375 84.004 12.248 -12.491 1.00 0.00 C ATOM 801 CG2 VAL A 375 85.266 14.369 -12.881 1.00 0.00 C ATOM 0 H VAL A 375 87.081 13.225 -14.875 1.00 0.00 H new ATOM 0 HA VAL A 375 86.725 12.186 -12.152 1.00 0.00 H new ATOM 0 HB VAL A 375 84.775 12.910 -14.390 1.00 0.00 H new ATOM 0 HG11 VAL A 375 83.064 12.789 -12.599 1.00 0.00 H new ATOM 0 HG12 VAL A 375 83.870 11.218 -12.820 1.00 0.00 H new ATOM 0 HG13 VAL A 375 84.310 12.258 -11.445 1.00 0.00 H new ATOM 0 HG21 VAL A 375 84.325 14.908 -12.989 1.00 0.00 H new ATOM 0 HG22 VAL A 375 85.573 14.380 -11.835 1.00 0.00 H new ATOM 0 HG23 VAL A 375 86.032 14.850 -13.489 1.00 0.00 H new ATOM 811 N TYR A 376 86.128 9.814 -12.634 1.00 0.00 N ATOM 812 CA TYR A 376 85.936 8.392 -12.921 1.00 0.00 C ATOM 813 C TYR A 376 85.237 7.696 -11.753 1.00 0.00 C ATOM 814 O TYR A 376 84.860 8.336 -10.772 1.00 0.00 O ATOM 815 CB TYR A 376 87.293 7.727 -13.201 1.00 0.00 C ATOM 816 CG TYR A 376 88.039 7.495 -11.901 1.00 0.00 C ATOM 817 CD1 TYR A 376 88.438 8.586 -11.119 1.00 0.00 C ATOM 818 CD2 TYR A 376 88.325 6.190 -11.479 1.00 0.00 C ATOM 819 CE1 TYR A 376 89.122 8.372 -9.916 1.00 0.00 C ATOM 820 CE2 TYR A 376 89.009 5.976 -10.277 1.00 0.00 C ATOM 821 CZ TYR A 376 89.408 7.067 -9.496 1.00 0.00 C ATOM 822 OH TYR A 376 90.083 6.857 -8.311 1.00 0.00 O ATOM 0 H TYR A 376 86.196 10.042 -11.642 1.00 0.00 H new ATOM 0 HA TYR A 376 85.304 8.297 -13.804 1.00 0.00 H new ATOM 0 HB2 TYR A 376 87.142 6.779 -13.717 1.00 0.00 H new ATOM 0 HB3 TYR A 376 87.887 8.359 -13.862 1.00 0.00 H new ATOM 0 HD1 TYR A 376 88.218 9.592 -11.444 1.00 0.00 H new ATOM 0 HD2 TYR A 376 88.017 5.348 -12.082 1.00 0.00 H new ATOM 0 HE1 TYR A 376 89.429 9.213 -9.312 1.00 0.00 H new ATOM 0 HE2 TYR A 376 89.229 4.970 -9.952 1.00 0.00 H new ATOM 0 HH TYR A 376 90.199 5.895 -8.167 1.00 0.00 H new ATOM 832 N GLU A 377 85.063 6.380 -11.873 1.00 0.00 N ATOM 833 CA GLU A 377 84.401 5.594 -10.829 1.00 0.00 C ATOM 834 C GLU A 377 85.425 4.908 -9.925 1.00 0.00 C ATOM 835 O GLU A 377 86.517 4.545 -10.362 1.00 0.00 O ATOM 836 CB GLU A 377 83.502 4.535 -11.481 1.00 0.00 C ATOM 837 CG GLU A 377 82.774 3.715 -10.407 1.00 0.00 C ATOM 838 CD GLU A 377 81.884 4.621 -9.562 1.00 0.00 C ATOM 839 OE1 GLU A 377 80.869 5.065 -10.073 1.00 0.00 O ATOM 840 OE2 GLU A 377 82.231 4.857 -8.417 1.00 0.00 O ATOM 0 H GLU A 377 85.370 5.836 -12.680 1.00 0.00 H new ATOM 0 HA GLU A 377 83.801 6.268 -10.218 1.00 0.00 H new ATOM 0 HB2 GLU A 377 82.775 5.018 -12.133 1.00 0.00 H new ATOM 0 HB3 GLU A 377 84.102 3.875 -12.107 1.00 0.00 H new ATOM 0 HG2 GLU A 377 82.171 2.939 -10.879 1.00 0.00 H new ATOM 0 HG3 GLU A 377 83.501 3.211 -9.770 1.00 0.00 H new ATOM 847 N THR A 378 85.048 4.735 -8.662 1.00 0.00 N ATOM 848 CA THR A 378 85.913 4.093 -7.678 1.00 0.00 C ATOM 849 C THR A 378 85.100 3.750 -6.433 1.00 0.00 C ATOM 850 O THR A 378 83.870 3.756 -6.471 1.00 0.00 O ATOM 851 CB THR A 378 87.079 5.008 -7.303 1.00 0.00 C ATOM 852 OG1 THR A 378 87.876 4.373 -6.313 1.00 0.00 O ATOM 853 CG2 THR A 378 86.544 6.329 -6.756 1.00 0.00 C ATOM 0 H THR A 378 84.144 5.032 -8.294 1.00 0.00 H new ATOM 0 HA THR A 378 86.320 3.180 -8.112 1.00 0.00 H new ATOM 0 HB THR A 378 87.683 5.205 -8.189 1.00 0.00 H new ATOM 0 HG1 THR A 378 88.625 4.957 -6.072 1.00 0.00 H new ATOM 0 HG21 THR A 378 87.379 6.978 -6.490 1.00 0.00 H new ATOM 0 HG22 THR A 378 85.933 6.817 -7.516 1.00 0.00 H new ATOM 0 HG23 THR A 378 85.937 6.137 -5.871 1.00 0.00 H new ATOM 861 N THR A 379 85.784 3.459 -5.328 1.00 0.00 N ATOM 862 CA THR A 379 85.099 3.125 -4.075 1.00 0.00 C ATOM 863 C THR A 379 85.816 3.761 -2.891 1.00 0.00 C ATOM 864 O THR A 379 86.996 3.506 -2.655 1.00 0.00 O ATOM 865 CB THR A 379 85.057 1.604 -3.891 1.00 0.00 C ATOM 866 OG1 THR A 379 86.332 1.058 -4.194 1.00 0.00 O ATOM 867 CG2 THR A 379 84.007 1.002 -4.827 1.00 0.00 C ATOM 0 H THR A 379 86.802 3.447 -5.271 1.00 0.00 H new ATOM 0 HA THR A 379 84.082 3.513 -4.123 1.00 0.00 H new ATOM 0 HB THR A 379 84.796 1.370 -2.859 1.00 0.00 H new ATOM 0 HG1 THR A 379 87.031 1.624 -3.806 1.00 0.00 H new ATOM 0 HG21 THR A 379 83.979 -0.080 -4.695 1.00 0.00 H new ATOM 0 HG22 THR A 379 83.028 1.422 -4.594 1.00 0.00 H new ATOM 0 HG23 THR A 379 84.265 1.234 -5.860 1.00 0.00 H new ATOM 875 N ARG A 380 85.086 4.589 -2.146 1.00 0.00 N ATOM 876 CA ARG A 380 85.643 5.266 -0.978 1.00 0.00 C ATOM 877 C ARG A 380 84.597 5.340 0.128 1.00 0.00 C ATOM 878 O ARG A 380 83.435 5.656 -0.129 1.00 0.00 O ATOM 879 CB ARG A 380 86.086 6.682 -1.358 1.00 0.00 C ATOM 880 CG ARG A 380 86.982 7.252 -0.256 1.00 0.00 C ATOM 881 CD ARG A 380 87.106 8.767 -0.429 1.00 0.00 C ATOM 882 NE ARG A 380 85.811 9.406 -0.222 1.00 0.00 N ATOM 883 CZ ARG A 380 85.270 9.483 0.990 1.00 0.00 C ATOM 884 NH1 ARG A 380 85.899 8.983 2.018 1.00 0.00 N ATOM 885 NH2 ARG A 380 84.110 10.058 1.150 1.00 0.00 N ATOM 0 H ARG A 380 84.107 4.807 -2.331 1.00 0.00 H new ATOM 0 HA ARG A 380 86.505 4.702 -0.621 1.00 0.00 H new ATOM 0 HB2 ARG A 380 86.625 6.664 -2.305 1.00 0.00 H new ATOM 0 HB3 ARG A 380 85.214 7.321 -1.499 1.00 0.00 H new ATOM 0 HG2 ARG A 380 86.563 7.021 0.723 1.00 0.00 H new ATOM 0 HG3 ARG A 380 87.968 6.789 -0.299 1.00 0.00 H new ATOM 0 HD2 ARG A 380 87.833 9.163 0.281 1.00 0.00 H new ATOM 0 HD3 ARG A 380 87.478 8.997 -1.428 1.00 0.00 H new ATOM 0 HE ARG A 380 85.313 9.800 -1.020 1.00 0.00 H new ATOM 0 HH11 ARG A 380 86.806 8.533 1.892 1.00 0.00 H new ATOM 0 HH12 ARG A 380 85.484 9.042 2.948 1.00 0.00 H new ATOM 0 HH21 ARG A 380 83.619 10.448 0.346 1.00 0.00 H new ATOM 0 HH22 ARG A 380 83.694 10.118 2.079 1.00 0.00 H new ATOM 899 N ASN A 381 85.009 5.043 1.354 1.00 0.00 N ATOM 900 CA ASN A 381 84.087 5.074 2.482 1.00 0.00 C ATOM 901 C ASN A 381 82.921 4.125 2.232 1.00 0.00 C ATOM 902 O ASN A 381 81.757 4.518 2.311 1.00 0.00 O ATOM 903 CB ASN A 381 83.558 6.495 2.687 1.00 0.00 C ATOM 904 CG ASN A 381 82.890 6.612 4.053 1.00 0.00 C ATOM 905 OD1 ASN A 381 81.954 5.871 4.353 1.00 0.00 O ATOM 906 ND2 ASN A 381 83.317 7.505 4.904 1.00 0.00 N ATOM 0 H ASN A 381 85.966 4.780 1.591 1.00 0.00 H new ATOM 0 HA ASN A 381 84.620 4.757 3.378 1.00 0.00 H new ATOM 0 HB2 ASN A 381 84.376 7.211 2.611 1.00 0.00 H new ATOM 0 HB3 ASN A 381 82.844 6.743 1.902 1.00 0.00 H new ATOM 0 HD21 ASN A 381 82.875 7.590 5.819 1.00 0.00 H new ATOM 0 HD22 ASN A 381 84.093 8.118 4.654 1.00 0.00 H new ATOM 913 N GLY A 382 83.250 2.867 1.935 1.00 0.00 N ATOM 914 CA GLY A 382 82.236 1.844 1.675 1.00 0.00 C ATOM 915 C GLY A 382 81.027 2.426 0.946 1.00 0.00 C ATOM 916 O GLY A 382 79.898 1.976 1.140 1.00 0.00 O ATOM 0 H GLY A 382 84.211 2.532 1.868 1.00 0.00 H new ATOM 0 HA2 GLY A 382 82.671 1.043 1.078 1.00 0.00 H new ATOM 0 HA3 GLY A 382 81.915 1.401 2.618 1.00 0.00 H new ATOM 920 N GLN A 383 81.273 3.433 0.111 1.00 0.00 N ATOM 921 CA GLN A 383 80.198 4.079 -0.642 1.00 0.00 C ATOM 922 C GLN A 383 80.743 4.661 -1.956 1.00 0.00 C ATOM 923 O GLN A 383 81.561 5.581 -1.922 1.00 0.00 O ATOM 924 CB GLN A 383 79.598 5.210 0.196 1.00 0.00 C ATOM 925 CG GLN A 383 78.278 5.665 -0.429 1.00 0.00 C ATOM 926 CD GLN A 383 77.682 6.808 0.385 1.00 0.00 C ATOM 927 OE1 GLN A 383 76.461 6.911 0.510 1.00 0.00 O ATOM 928 NE2 GLN A 383 78.474 7.678 0.949 1.00 0.00 N ATOM 0 H GLN A 383 82.201 3.818 -0.061 1.00 0.00 H new ATOM 0 HA GLN A 383 79.433 3.337 -0.870 1.00 0.00 H new ATOM 0 HB2 GLN A 383 79.430 4.870 1.218 1.00 0.00 H new ATOM 0 HB3 GLN A 383 80.295 6.047 0.249 1.00 0.00 H new ATOM 0 HG2 GLN A 383 78.445 5.988 -1.457 1.00 0.00 H new ATOM 0 HG3 GLN A 383 77.577 4.831 -0.467 1.00 0.00 H new ATOM 0 HE21 GLN A 383 79.485 7.591 0.844 1.00 0.00 H new ATOM 0 HE22 GLN A 383 78.082 8.445 1.495 1.00 0.00 H new ATOM 937 N PRO A 384 80.326 4.168 -3.107 1.00 0.00 N ATOM 938 CA PRO A 384 80.821 4.695 -4.413 1.00 0.00 C ATOM 939 C PRO A 384 80.913 6.221 -4.423 1.00 0.00 C ATOM 940 O PRO A 384 79.940 6.915 -4.128 1.00 0.00 O ATOM 941 CB PRO A 384 79.779 4.191 -5.414 1.00 0.00 C ATOM 942 CG PRO A 384 79.298 2.900 -4.833 1.00 0.00 C ATOM 943 CD PRO A 384 79.353 3.071 -3.308 1.00 0.00 C ATOM 0 HA PRO A 384 81.833 4.359 -4.641 1.00 0.00 H new ATOM 0 HB2 PRO A 384 78.962 4.903 -5.530 1.00 0.00 H new ATOM 0 HB3 PRO A 384 80.216 4.044 -6.402 1.00 0.00 H new ATOM 0 HG2 PRO A 384 78.283 2.678 -5.164 1.00 0.00 H new ATOM 0 HG3 PRO A 384 79.927 2.070 -5.155 1.00 0.00 H new ATOM 0 HD2 PRO A 384 78.375 3.325 -2.899 1.00 0.00 H new ATOM 0 HD3 PRO A 384 79.677 2.155 -2.815 1.00 0.00 H new ATOM 951 N TRP A 385 82.094 6.732 -4.764 1.00 0.00 N ATOM 952 CA TRP A 385 82.320 8.177 -4.812 1.00 0.00 C ATOM 953 C TRP A 385 83.341 8.508 -5.902 1.00 0.00 C ATOM 954 O TRP A 385 84.233 7.713 -6.190 1.00 0.00 O ATOM 955 CB TRP A 385 82.819 8.667 -3.433 1.00 0.00 C ATOM 956 CG TRP A 385 83.640 9.917 -3.576 1.00 0.00 C ATOM 957 CD1 TRP A 385 84.927 10.048 -3.188 1.00 0.00 C ATOM 958 CD2 TRP A 385 83.254 11.195 -4.158 1.00 0.00 C ATOM 959 NE1 TRP A 385 85.358 11.329 -3.490 1.00 0.00 N ATOM 960 CE2 TRP A 385 84.362 12.075 -4.090 1.00 0.00 C ATOM 961 CE3 TRP A 385 82.063 11.671 -4.729 1.00 0.00 C ATOM 962 CZ2 TRP A 385 84.286 13.384 -4.577 1.00 0.00 C ATOM 963 CZ3 TRP A 385 81.983 12.985 -5.217 1.00 0.00 C ATOM 964 CH2 TRP A 385 83.095 13.838 -5.142 1.00 0.00 C ATOM 0 H TRP A 385 82.908 6.169 -5.011 1.00 0.00 H new ATOM 0 HA TRP A 385 81.385 8.685 -5.049 1.00 0.00 H new ATOM 0 HB2 TRP A 385 81.967 8.859 -2.780 1.00 0.00 H new ATOM 0 HB3 TRP A 385 83.415 7.887 -2.959 1.00 0.00 H new ATOM 0 HD1 TRP A 385 85.523 9.279 -2.719 1.00 0.00 H new ATOM 0 HE1 TRP A 385 86.296 11.679 -3.294 1.00 0.00 H new ATOM 0 HE3 TRP A 385 81.202 11.022 -4.793 1.00 0.00 H new ATOM 0 HZ2 TRP A 385 85.143 14.038 -4.516 1.00 0.00 H new ATOM 0 HZ3 TRP A 385 81.061 13.341 -5.652 1.00 0.00 H new ATOM 0 HH2 TRP A 385 83.028 14.847 -5.522 1.00 0.00 H new ATOM 975 N TYR A 386 83.204 9.692 -6.495 1.00 0.00 N ATOM 976 CA TYR A 386 84.120 10.136 -7.544 1.00 0.00 C ATOM 977 C TYR A 386 85.203 11.035 -6.950 1.00 0.00 C ATOM 978 O TYR A 386 85.069 12.259 -6.937 1.00 0.00 O ATOM 979 CB TYR A 386 83.343 10.900 -8.621 1.00 0.00 C ATOM 980 CG TYR A 386 82.017 10.219 -8.861 1.00 0.00 C ATOM 981 CD1 TYR A 386 80.951 10.436 -7.980 1.00 0.00 C ATOM 982 CD2 TYR A 386 81.853 9.371 -9.963 1.00 0.00 C ATOM 983 CE1 TYR A 386 79.721 9.805 -8.202 1.00 0.00 C ATOM 984 CE2 TYR A 386 80.623 8.739 -10.184 1.00 0.00 C ATOM 985 CZ TYR A 386 79.557 8.956 -9.303 1.00 0.00 C ATOM 986 OH TYR A 386 78.344 8.334 -9.520 1.00 0.00 O ATOM 0 H TYR A 386 82.468 10.361 -6.267 1.00 0.00 H new ATOM 0 HA TYR A 386 84.593 9.263 -7.994 1.00 0.00 H new ATOM 0 HB2 TYR A 386 83.183 11.931 -8.307 1.00 0.00 H new ATOM 0 HB3 TYR A 386 83.919 10.934 -9.546 1.00 0.00 H new ATOM 0 HD1 TYR A 386 81.077 11.090 -7.130 1.00 0.00 H new ATOM 0 HD2 TYR A 386 82.675 9.204 -10.643 1.00 0.00 H new ATOM 0 HE1 TYR A 386 78.898 9.973 -7.523 1.00 0.00 H new ATOM 0 HE2 TYR A 386 80.497 8.084 -11.034 1.00 0.00 H new ATOM 0 HH TYR A 386 78.400 7.781 -10.327 1.00 0.00 H new ATOM 996 N VAL A 387 86.276 10.420 -6.455 1.00 0.00 N ATOM 997 CA VAL A 387 87.374 11.174 -5.857 1.00 0.00 C ATOM 998 C VAL A 387 88.319 11.683 -6.942 1.00 0.00 C ATOM 999 O VAL A 387 88.802 10.910 -7.769 1.00 0.00 O ATOM 1000 CB VAL A 387 88.141 10.289 -4.859 1.00 0.00 C ATOM 1001 CG1 VAL A 387 89.056 9.305 -5.606 1.00 0.00 C ATOM 1002 CG2 VAL A 387 88.988 11.175 -3.937 1.00 0.00 C ATOM 0 H VAL A 387 86.407 9.408 -6.456 1.00 0.00 H new ATOM 0 HA VAL A 387 86.961 12.030 -5.324 1.00 0.00 H new ATOM 0 HB VAL A 387 87.422 9.721 -4.268 1.00 0.00 H new ATOM 0 HG11 VAL A 387 89.591 8.687 -4.885 1.00 0.00 H new ATOM 0 HG12 VAL A 387 88.454 8.668 -6.254 1.00 0.00 H new ATOM 0 HG13 VAL A 387 89.773 9.861 -6.210 1.00 0.00 H new ATOM 0 HG21 VAL A 387 89.532 10.549 -3.230 1.00 0.00 H new ATOM 0 HG22 VAL A 387 89.697 11.748 -4.534 1.00 0.00 H new ATOM 0 HG23 VAL A 387 88.338 11.859 -3.391 1.00 0.00 H new ATOM 1012 N LEU A 388 88.581 12.987 -6.933 1.00 0.00 N ATOM 1013 CA LEU A 388 89.472 13.590 -7.921 1.00 0.00 C ATOM 1014 C LEU A 388 90.888 13.690 -7.363 1.00 0.00 C ATOM 1015 O LEU A 388 91.084 13.890 -6.165 1.00 0.00 O ATOM 1016 CB LEU A 388 88.964 14.990 -8.292 1.00 0.00 C ATOM 1017 CG LEU A 388 87.780 14.892 -9.269 1.00 0.00 C ATOM 1018 CD1 LEU A 388 88.243 14.375 -10.646 1.00 0.00 C ATOM 1019 CD2 LEU A 388 86.719 13.949 -8.692 1.00 0.00 C ATOM 0 H LEU A 388 88.192 13.644 -6.257 1.00 0.00 H new ATOM 0 HA LEU A 388 89.486 12.962 -8.812 1.00 0.00 H new ATOM 0 HB2 LEU A 388 88.657 15.522 -7.392 1.00 0.00 H new ATOM 0 HB3 LEU A 388 89.770 15.568 -8.745 1.00 0.00 H new ATOM 0 HG LEU A 388 87.356 15.887 -9.402 1.00 0.00 H new ATOM 0 HD11 LEU A 388 87.387 14.315 -11.319 1.00 0.00 H new ATOM 0 HD12 LEU A 388 88.983 15.059 -11.061 1.00 0.00 H new ATOM 0 HD13 LEU A 388 88.686 13.386 -10.533 1.00 0.00 H new ATOM 0 HD21 LEU A 388 85.880 13.879 -9.384 1.00 0.00 H new ATOM 0 HD22 LEU A 388 87.152 12.960 -8.546 1.00 0.00 H new ATOM 0 HD23 LEU A 388 86.369 14.337 -7.735 1.00 0.00 H new ATOM 1031 N VAL A 389 91.873 13.553 -8.248 1.00 0.00 N ATOM 1032 CA VAL A 389 93.279 13.633 -7.857 1.00 0.00 C ATOM 1033 C VAL A 389 94.059 14.426 -8.901 1.00 0.00 C ATOM 1034 O VAL A 389 93.799 14.309 -10.098 1.00 0.00 O ATOM 1035 CB VAL A 389 93.869 12.226 -7.735 1.00 0.00 C ATOM 1036 CG1 VAL A 389 93.343 11.553 -6.465 1.00 0.00 C ATOM 1037 CG2 VAL A 389 93.461 11.397 -8.956 1.00 0.00 C ATOM 0 H VAL A 389 91.723 13.386 -9.243 1.00 0.00 H new ATOM 0 HA VAL A 389 93.351 14.135 -6.892 1.00 0.00 H new ATOM 0 HB VAL A 389 94.956 12.294 -7.683 1.00 0.00 H new ATOM 0 HG11 VAL A 389 93.766 10.552 -6.382 1.00 0.00 H new ATOM 0 HG12 VAL A 389 93.632 12.142 -5.595 1.00 0.00 H new ATOM 0 HG13 VAL A 389 92.256 11.485 -6.513 1.00 0.00 H new ATOM 0 HG21 VAL A 389 93.880 10.394 -8.872 1.00 0.00 H new ATOM 0 HG22 VAL A 389 92.374 11.333 -9.006 1.00 0.00 H new ATOM 0 HG23 VAL A 389 93.838 11.873 -9.861 1.00 0.00 H new ATOM 1047 N SER A 390 95.011 15.234 -8.446 1.00 0.00 N ATOM 1048 CA SER A 390 95.811 16.040 -9.363 1.00 0.00 C ATOM 1049 C SER A 390 96.883 15.189 -10.037 1.00 0.00 C ATOM 1050 O SER A 390 98.018 15.114 -9.565 1.00 0.00 O ATOM 1051 CB SER A 390 96.474 17.188 -8.603 1.00 0.00 C ATOM 1052 OG SER A 390 97.382 16.655 -7.647 1.00 0.00 O ATOM 0 H SER A 390 95.246 15.348 -7.460 1.00 0.00 H new ATOM 0 HA SER A 390 95.150 16.443 -10.131 1.00 0.00 H new ATOM 0 HB2 SER A 390 97.001 17.843 -9.297 1.00 0.00 H new ATOM 0 HB3 SER A 390 95.718 17.795 -8.105 1.00 0.00 H new ATOM 0 HG SER A 390 98.078 16.142 -8.108 1.00 0.00 H new ATOM 1058 N GLY A 391 96.516 14.550 -11.144 1.00 0.00 N ATOM 1059 CA GLY A 391 97.455 13.707 -11.877 1.00 0.00 C ATOM 1060 C GLY A 391 98.260 12.825 -10.928 1.00 0.00 C ATOM 1061 O GLY A 391 97.763 11.812 -10.437 1.00 0.00 O ATOM 0 H GLY A 391 95.582 14.599 -11.551 1.00 0.00 H new ATOM 0 HA2 GLY A 391 96.911 13.082 -12.585 1.00 0.00 H new ATOM 0 HA3 GLY A 391 98.132 14.333 -12.459 1.00 0.00 H new ATOM 1065 N VAL A 392 99.507 13.217 -10.676 1.00 0.00 N ATOM 1066 CA VAL A 392 100.377 12.453 -9.785 1.00 0.00 C ATOM 1067 C VAL A 392 101.471 13.347 -9.209 1.00 0.00 C ATOM 1068 O VAL A 392 101.990 14.229 -9.894 1.00 0.00 O ATOM 1069 CB VAL A 392 101.014 11.290 -10.547 1.00 0.00 C ATOM 1070 CG1 VAL A 392 101.955 11.837 -11.622 1.00 0.00 C ATOM 1071 CG2 VAL A 392 101.807 10.418 -9.572 1.00 0.00 C ATOM 0 H VAL A 392 99.935 14.053 -11.073 1.00 0.00 H new ATOM 0 HA VAL A 392 99.774 12.062 -8.966 1.00 0.00 H new ATOM 0 HB VAL A 392 100.233 10.693 -11.018 1.00 0.00 H new ATOM 0 HG11 VAL A 392 102.409 11.008 -12.165 1.00 0.00 H new ATOM 0 HG12 VAL A 392 101.391 12.460 -12.316 1.00 0.00 H new ATOM 0 HG13 VAL A 392 102.737 12.434 -11.152 1.00 0.00 H new ATOM 0 HG21 VAL A 392 102.262 9.588 -10.113 1.00 0.00 H new ATOM 0 HG22 VAL A 392 102.588 11.016 -9.101 1.00 0.00 H new ATOM 0 HG23 VAL A 392 101.137 10.028 -8.806 1.00 0.00 H new ATOM 1081 N TYR A 393 101.814 13.115 -7.945 1.00 0.00 N ATOM 1082 CA TYR A 393 102.847 13.904 -7.275 1.00 0.00 C ATOM 1083 C TYR A 393 104.229 13.296 -7.510 1.00 0.00 C ATOM 1084 O TYR A 393 104.410 12.469 -8.402 1.00 0.00 O ATOM 1085 CB TYR A 393 102.551 13.965 -5.774 1.00 0.00 C ATOM 1086 CG TYR A 393 101.296 14.778 -5.548 1.00 0.00 C ATOM 1087 CD1 TYR A 393 100.052 14.259 -5.926 1.00 0.00 C ATOM 1088 CD2 TYR A 393 101.376 16.050 -4.967 1.00 0.00 C ATOM 1089 CE1 TYR A 393 98.888 15.011 -5.722 1.00 0.00 C ATOM 1090 CE2 TYR A 393 100.212 16.801 -4.763 1.00 0.00 C ATOM 1091 CZ TYR A 393 98.969 16.282 -5.140 1.00 0.00 C ATOM 1092 OH TYR A 393 97.822 17.023 -4.940 1.00 0.00 O ATOM 0 H TYR A 393 101.394 12.389 -7.364 1.00 0.00 H new ATOM 0 HA TYR A 393 102.842 14.912 -7.689 1.00 0.00 H new ATOM 0 HB2 TYR A 393 102.424 12.959 -5.375 1.00 0.00 H new ATOM 0 HB3 TYR A 393 103.390 14.414 -5.243 1.00 0.00 H new ATOM 0 HD1 TYR A 393 99.990 13.279 -6.375 1.00 0.00 H new ATOM 0 HD2 TYR A 393 102.336 16.452 -4.676 1.00 0.00 H new ATOM 0 HE1 TYR A 393 97.928 14.611 -6.014 1.00 0.00 H new ATOM 0 HE2 TYR A 393 100.274 17.781 -4.314 1.00 0.00 H new ATOM 0 HH TYR A 393 97.341 17.116 -5.789 1.00 0.00 H new ATOM 1102 N ALA A 394 105.204 13.717 -6.700 1.00 0.00 N ATOM 1103 CA ALA A 394 106.578 13.216 -6.820 1.00 0.00 C ATOM 1104 C ALA A 394 107.068 12.662 -5.486 1.00 0.00 C ATOM 1105 O ALA A 394 108.041 11.910 -5.436 1.00 0.00 O ATOM 1106 CB ALA A 394 107.503 14.347 -7.271 1.00 0.00 C ATOM 0 H ALA A 394 105.069 14.401 -5.956 1.00 0.00 H new ATOM 0 HA ALA A 394 106.589 12.414 -7.559 1.00 0.00 H new ATOM 0 HB1 ALA A 394 108.522 13.970 -7.359 1.00 0.00 H new ATOM 0 HB2 ALA A 394 107.171 14.725 -8.238 1.00 0.00 H new ATOM 0 HB3 ALA A 394 107.476 15.153 -6.538 1.00 0.00 H new ATOM 1112 N SER A 395 106.389 13.037 -4.406 1.00 0.00 N ATOM 1113 CA SER A 395 106.767 12.570 -3.077 1.00 0.00 C ATOM 1114 C SER A 395 105.767 13.057 -2.035 1.00 0.00 C ATOM 1115 O SER A 395 104.855 13.821 -2.349 1.00 0.00 O ATOM 1116 CB SER A 395 108.164 13.078 -2.722 1.00 0.00 C ATOM 1117 OG SER A 395 108.222 14.482 -2.937 1.00 0.00 O ATOM 0 H SER A 395 105.580 13.658 -4.424 1.00 0.00 H new ATOM 0 HA SER A 395 106.768 11.480 -3.082 1.00 0.00 H new ATOM 0 HB2 SER A 395 108.394 12.848 -1.682 1.00 0.00 H new ATOM 0 HB3 SER A 395 108.913 12.574 -3.333 1.00 0.00 H new ATOM 0 HG SER A 395 109.116 14.811 -2.709 1.00 0.00 H new ATOM 1123 N LYS A 396 105.946 12.611 -0.795 1.00 0.00 N ATOM 1124 CA LYS A 396 105.053 13.012 0.288 1.00 0.00 C ATOM 1125 C LYS A 396 105.439 14.395 0.809 1.00 0.00 C ATOM 1126 O LYS A 396 104.682 15.028 1.546 1.00 0.00 O ATOM 1127 CB LYS A 396 105.127 11.987 1.430 1.00 0.00 C ATOM 1128 CG LYS A 396 103.887 12.109 2.342 1.00 0.00 C ATOM 1129 CD LYS A 396 102.744 11.239 1.804 1.00 0.00 C ATOM 1130 CE LYS A 396 101.427 11.657 2.462 1.00 0.00 C ATOM 1131 NZ LYS A 396 100.967 12.948 1.876 1.00 0.00 N ATOM 0 H LYS A 396 106.695 11.977 -0.516 1.00 0.00 H new ATOM 0 HA LYS A 396 104.033 13.053 -0.095 1.00 0.00 H new ATOM 0 HB2 LYS A 396 105.187 10.979 1.020 1.00 0.00 H new ATOM 0 HB3 LYS A 396 106.033 12.148 2.014 1.00 0.00 H new ATOM 0 HG2 LYS A 396 104.141 11.801 3.356 1.00 0.00 H new ATOM 0 HG3 LYS A 396 103.567 13.150 2.395 1.00 0.00 H new ATOM 0 HD2 LYS A 396 102.671 11.345 0.722 1.00 0.00 H new ATOM 0 HD3 LYS A 396 102.947 10.188 2.008 1.00 0.00 H new ATOM 0 HE2 LYS A 396 100.671 10.886 2.310 1.00 0.00 H new ATOM 0 HE3 LYS A 396 101.563 11.762 3.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 396 99.946 13.058 2.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 396 101.476 13.735 2.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 396 101.158 12.953 0.854 1.00 0.00 H new ATOM 1145 N GLU A 397 106.624 14.853 0.423 1.00 0.00 N ATOM 1146 CA GLU A 397 107.108 16.158 0.857 1.00 0.00 C ATOM 1147 C GLU A 397 106.267 17.278 0.251 1.00 0.00 C ATOM 1148 O GLU A 397 105.456 17.900 0.937 1.00 0.00 O ATOM 1149 CB GLU A 397 108.570 16.333 0.443 1.00 0.00 C ATOM 1150 CG GLU A 397 109.345 15.050 0.750 1.00 0.00 C ATOM 1151 CD GLU A 397 109.170 14.676 2.219 1.00 0.00 C ATOM 1152 OE1 GLU A 397 109.878 15.235 3.040 1.00 0.00 O ATOM 1153 OE2 GLU A 397 108.332 13.835 2.499 1.00 0.00 O ATOM 0 H GLU A 397 107.264 14.344 -0.186 1.00 0.00 H new ATOM 0 HA GLU A 397 107.026 16.211 1.943 1.00 0.00 H new ATOM 0 HB2 GLU A 397 108.633 16.563 -0.621 1.00 0.00 H new ATOM 0 HB3 GLU A 397 109.012 17.174 0.977 1.00 0.00 H new ATOM 0 HG2 GLU A 397 108.989 14.239 0.114 1.00 0.00 H new ATOM 0 HG3 GLU A 397 110.402 15.191 0.525 1.00 0.00 H new ATOM 1160 N GLU A 398 106.469 17.532 -1.039 1.00 0.00 N ATOM 1161 CA GLU A 398 105.728 18.583 -1.727 1.00 0.00 C ATOM 1162 C GLU A 398 104.225 18.344 -1.622 1.00 0.00 C ATOM 1163 O GLU A 398 103.426 19.243 -1.883 1.00 0.00 O ATOM 1164 CB GLU A 398 106.137 18.629 -3.200 1.00 0.00 C ATOM 1165 CG GLU A 398 105.385 19.759 -3.905 1.00 0.00 C ATOM 1166 CD GLU A 398 106.016 20.036 -5.265 1.00 0.00 C ATOM 1167 OE1 GLU A 398 107.154 20.477 -5.290 1.00 0.00 O ATOM 1168 OE2 GLU A 398 105.353 19.804 -6.262 1.00 0.00 O ATOM 0 H GLU A 398 107.135 17.028 -1.625 1.00 0.00 H new ATOM 0 HA GLU A 398 105.964 19.535 -1.252 1.00 0.00 H new ATOM 0 HB2 GLU A 398 107.212 18.786 -3.285 1.00 0.00 H new ATOM 0 HB3 GLU A 398 105.915 17.676 -3.680 1.00 0.00 H new ATOM 0 HG2 GLU A 398 104.337 19.487 -4.030 1.00 0.00 H new ATOM 0 HG3 GLU A 398 105.410 20.661 -3.293 1.00 0.00 H new ATOM 1175 N ALA A 399 103.846 17.128 -1.243 1.00 0.00 N ATOM 1176 CA ALA A 399 102.433 16.787 -1.113 1.00 0.00 C ATOM 1177 C ALA A 399 101.817 17.489 0.094 1.00 0.00 C ATOM 1178 O ALA A 399 100.690 17.979 0.028 1.00 0.00 O ATOM 1179 CB ALA A 399 102.272 15.274 -0.960 1.00 0.00 C ATOM 0 H ALA A 399 104.490 16.368 -1.022 1.00 0.00 H new ATOM 0 HA ALA A 399 101.917 17.119 -2.014 1.00 0.00 H new ATOM 0 HB1 ALA A 399 101.214 15.029 -0.864 1.00 0.00 H new ATOM 0 HB2 ALA A 399 102.682 14.774 -1.837 1.00 0.00 H new ATOM 0 HB3 ALA A 399 102.805 14.940 -0.070 1.00 0.00 H new ATOM 1185 N LYS A 400 102.562 17.533 1.193 1.00 0.00 N ATOM 1186 CA LYS A 400 102.076 18.177 2.407 1.00 0.00 C ATOM 1187 C LYS A 400 102.203 19.693 2.297 1.00 0.00 C ATOM 1188 O LYS A 400 101.492 20.436 2.974 1.00 0.00 O ATOM 1189 CB LYS A 400 102.876 17.686 3.615 1.00 0.00 C ATOM 1190 CG LYS A 400 102.490 16.240 3.932 1.00 0.00 C ATOM 1191 CD LYS A 400 103.360 15.718 5.077 1.00 0.00 C ATOM 1192 CE LYS A 400 102.755 14.427 5.632 1.00 0.00 C ATOM 1193 NZ LYS A 400 103.724 13.784 6.563 1.00 0.00 N ATOM 0 H LYS A 400 103.498 17.134 1.268 1.00 0.00 H new ATOM 0 HA LYS A 400 101.025 17.918 2.536 1.00 0.00 H new ATOM 0 HB2 LYS A 400 103.944 17.751 3.407 1.00 0.00 H new ATOM 0 HB3 LYS A 400 102.680 18.323 4.477 1.00 0.00 H new ATOM 0 HG2 LYS A 400 101.437 16.186 4.208 1.00 0.00 H new ATOM 0 HG3 LYS A 400 102.621 15.616 3.048 1.00 0.00 H new ATOM 0 HD2 LYS A 400 104.374 15.533 4.722 1.00 0.00 H new ATOM 0 HD3 LYS A 400 103.430 16.467 5.865 1.00 0.00 H new ATOM 0 HE2 LYS A 400 101.823 14.645 6.154 1.00 0.00 H new ATOM 0 HE3 LYS A 400 102.512 13.746 4.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 400 103.313 12.906 6.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 400 104.602 13.563 6.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 400 103.934 14.433 7.348 1.00 0.00 H new ATOM 1207 N LYS A 401 103.115 20.146 1.440 1.00 0.00 N ATOM 1208 CA LYS A 401 103.339 21.577 1.244 1.00 0.00 C ATOM 1209 C LYS A 401 102.481 22.103 0.097 1.00 0.00 C ATOM 1210 O LYS A 401 102.197 23.299 0.020 1.00 0.00 O ATOM 1211 CB LYS A 401 104.815 21.832 0.933 1.00 0.00 C ATOM 1212 CG LYS A 401 105.117 23.326 1.064 1.00 0.00 C ATOM 1213 CD LYS A 401 106.602 23.573 0.788 1.00 0.00 C ATOM 1214 CE LYS A 401 106.980 24.984 1.240 1.00 0.00 C ATOM 1215 NZ LYS A 401 108.372 25.290 0.803 1.00 0.00 N ATOM 0 H LYS A 401 103.710 19.544 0.871 1.00 0.00 H new ATOM 0 HA LYS A 401 103.061 22.099 2.160 1.00 0.00 H new ATOM 0 HB2 LYS A 401 105.445 21.262 1.616 1.00 0.00 H new ATOM 0 HB3 LYS A 401 105.049 21.491 -0.075 1.00 0.00 H new ATOM 0 HG2 LYS A 401 104.506 23.894 0.362 1.00 0.00 H new ATOM 0 HG3 LYS A 401 104.859 23.674 2.064 1.00 0.00 H new ATOM 0 HD2 LYS A 401 107.208 22.837 1.316 1.00 0.00 H new ATOM 0 HD3 LYS A 401 106.809 23.453 -0.275 1.00 0.00 H new ATOM 0 HE2 LYS A 401 106.287 25.711 0.817 1.00 0.00 H new ATOM 0 HE3 LYS A 401 106.902 25.063 2.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 401 108.629 26.250 1.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 401 109.028 24.603 1.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 401 108.431 25.231 -0.234 1.00 0.00 H new ATOM 1229 N ALA A 402 102.074 21.204 -0.793 1.00 0.00 N ATOM 1230 CA ALA A 402 101.252 21.591 -1.936 1.00 0.00 C ATOM 1231 C ALA A 402 99.794 21.763 -1.521 1.00 0.00 C ATOM 1232 O ALA A 402 99.039 22.491 -2.165 1.00 0.00 O ATOM 1233 CB ALA A 402 101.349 20.528 -3.031 1.00 0.00 C ATOM 0 H ALA A 402 102.297 20.210 -0.747 1.00 0.00 H new ATOM 0 HA ALA A 402 101.622 22.543 -2.317 1.00 0.00 H new ATOM 0 HB1 ALA A 402 100.733 20.823 -3.880 1.00 0.00 H new ATOM 0 HB2 ALA A 402 102.386 20.429 -3.351 1.00 0.00 H new ATOM 0 HB3 ALA A 402 100.997 19.572 -2.643 1.00 0.00 H new ATOM 1239 N VAL A 403 99.402 21.088 -0.448 1.00 0.00 N ATOM 1240 CA VAL A 403 98.028 21.175 0.037 1.00 0.00 C ATOM 1241 C VAL A 403 97.621 22.630 0.244 1.00 0.00 C ATOM 1242 O VAL A 403 96.459 22.994 0.058 1.00 0.00 O ATOM 1243 CB VAL A 403 97.890 20.409 1.355 1.00 0.00 C ATOM 1244 CG1 VAL A 403 98.623 21.158 2.474 1.00 0.00 C ATOM 1245 CG2 VAL A 403 96.408 20.276 1.715 1.00 0.00 C ATOM 0 H VAL A 403 100.009 20.479 0.100 1.00 0.00 H new ATOM 0 HA VAL A 403 97.371 20.732 -0.711 1.00 0.00 H new ATOM 0 HB VAL A 403 98.329 19.418 1.241 1.00 0.00 H new ATOM 0 HG11 VAL A 403 98.520 20.607 3.409 1.00 0.00 H new ATOM 0 HG12 VAL A 403 99.679 21.248 2.220 1.00 0.00 H new ATOM 0 HG13 VAL A 403 98.191 22.152 2.590 1.00 0.00 H new ATOM 0 HG21 VAL A 403 96.309 19.731 2.654 1.00 0.00 H new ATOM 0 HG22 VAL A 403 95.970 21.268 1.824 1.00 0.00 H new ATOM 0 HG23 VAL A 403 95.889 19.735 0.924 1.00 0.00 H new ATOM 1255 N SER A 404 98.583 23.457 0.640 1.00 0.00 N ATOM 1256 CA SER A 404 98.313 24.868 0.880 1.00 0.00 C ATOM 1257 C SER A 404 97.901 25.574 -0.410 1.00 0.00 C ATOM 1258 O SER A 404 97.025 26.439 -0.401 1.00 0.00 O ATOM 1259 CB SER A 404 99.555 25.545 1.459 1.00 0.00 C ATOM 1260 OG SER A 404 99.866 24.960 2.716 1.00 0.00 O ATOM 0 H SER A 404 99.550 23.176 0.800 1.00 0.00 H new ATOM 0 HA SER A 404 97.491 24.940 1.592 1.00 0.00 H new ATOM 0 HB2 SER A 404 100.396 25.433 0.775 1.00 0.00 H new ATOM 0 HB3 SER A 404 99.379 26.614 1.576 1.00 0.00 H new ATOM 0 HG SER A 404 100.663 25.391 3.089 1.00 0.00 H new ATOM 1266 N THR A 405 98.543 25.207 -1.514 1.00 0.00 N ATOM 1267 CA THR A 405 98.236 25.824 -2.800 1.00 0.00 C ATOM 1268 C THR A 405 96.735 25.784 -3.071 1.00 0.00 C ATOM 1269 O THR A 405 96.215 26.581 -3.852 1.00 0.00 O ATOM 1270 CB THR A 405 98.977 25.098 -3.927 1.00 0.00 C ATOM 1271 OG1 THR A 405 98.465 23.779 -4.057 1.00 0.00 O ATOM 1272 CG2 THR A 405 100.472 25.041 -3.607 1.00 0.00 C ATOM 0 H THR A 405 99.271 24.494 -1.546 1.00 0.00 H new ATOM 0 HA THR A 405 98.562 26.863 -2.764 1.00 0.00 H new ATOM 0 HB THR A 405 98.831 25.637 -4.863 1.00 0.00 H new ATOM 0 HG1 THR A 405 98.510 23.324 -3.190 1.00 0.00 H new ATOM 0 HG21 THR A 405 100.997 24.524 -4.410 1.00 0.00 H new ATOM 0 HG22 THR A 405 100.863 26.054 -3.512 1.00 0.00 H new ATOM 0 HG23 THR A 405 100.623 24.504 -2.671 1.00 0.00 H new ATOM 1280 N LEU A 406 96.042 24.853 -2.421 1.00 0.00 N ATOM 1281 CA LEU A 406 94.599 24.724 -2.599 1.00 0.00 C ATOM 1282 C LEU A 406 93.866 25.756 -1.734 1.00 0.00 C ATOM 1283 O LEU A 406 94.347 26.113 -0.659 1.00 0.00 O ATOM 1284 CB LEU A 406 94.158 23.309 -2.203 1.00 0.00 C ATOM 1285 CG LEU A 406 95.177 22.291 -2.718 1.00 0.00 C ATOM 1286 CD1 LEU A 406 94.683 20.875 -2.409 1.00 0.00 C ATOM 1287 CD2 LEU A 406 95.343 22.453 -4.231 1.00 0.00 C ATOM 0 H LEU A 406 96.452 24.182 -1.771 1.00 0.00 H new ATOM 0 HA LEU A 406 94.352 24.902 -3.646 1.00 0.00 H new ATOM 0 HB2 LEU A 406 94.070 23.234 -1.119 1.00 0.00 H new ATOM 0 HB3 LEU A 406 93.173 23.095 -2.618 1.00 0.00 H new ATOM 0 HG LEU A 406 96.136 22.458 -2.228 1.00 0.00 H new ATOM 0 HD11 LEU A 406 95.408 20.149 -2.776 1.00 0.00 H new ATOM 0 HD12 LEU A 406 94.565 20.758 -1.332 1.00 0.00 H new ATOM 0 HD13 LEU A 406 93.724 20.709 -2.899 1.00 0.00 H new ATOM 0 HD21 LEU A 406 96.069 21.727 -4.597 1.00 0.00 H new ATOM 0 HD22 LEU A 406 94.384 22.286 -4.722 1.00 0.00 H new ATOM 0 HD23 LEU A 406 95.694 23.461 -4.453 1.00 0.00 H new ATOM 1299 N PRO A 407 92.723 26.243 -2.165 1.00 0.00 N ATOM 1300 CA PRO A 407 91.943 27.251 -1.384 1.00 0.00 C ATOM 1301 C PRO A 407 91.274 26.627 -0.158 1.00 0.00 C ATOM 1302 O PRO A 407 91.221 25.405 -0.022 1.00 0.00 O ATOM 1303 CB PRO A 407 90.903 27.757 -2.393 1.00 0.00 C ATOM 1304 CG PRO A 407 90.692 26.609 -3.325 1.00 0.00 C ATOM 1305 CD PRO A 407 92.044 25.898 -3.432 1.00 0.00 C ATOM 0 HA PRO A 407 92.571 28.047 -0.984 1.00 0.00 H new ATOM 0 HB2 PRO A 407 89.975 28.041 -1.897 1.00 0.00 H new ATOM 0 HB3 PRO A 407 91.262 28.638 -2.925 1.00 0.00 H new ATOM 0 HG2 PRO A 407 89.925 25.934 -2.945 1.00 0.00 H new ATOM 0 HG3 PRO A 407 90.355 26.956 -4.302 1.00 0.00 H new ATOM 0 HD2 PRO A 407 91.922 24.820 -3.540 1.00 0.00 H new ATOM 0 HD3 PRO A 407 92.611 26.243 -4.297 1.00 0.00 H new ATOM 1313 N ALA A 408 90.767 27.477 0.730 1.00 0.00 N ATOM 1314 CA ALA A 408 90.106 27.001 1.939 1.00 0.00 C ATOM 1315 C ALA A 408 89.019 25.989 1.594 1.00 0.00 C ATOM 1316 O ALA A 408 89.045 24.851 2.063 1.00 0.00 O ATOM 1317 CB ALA A 408 89.489 28.179 2.694 1.00 0.00 C ATOM 0 H ALA A 408 90.801 28.492 0.636 1.00 0.00 H new ATOM 0 HA ALA A 408 90.850 26.515 2.570 1.00 0.00 H new ATOM 0 HB1 ALA A 408 88.997 27.815 3.596 1.00 0.00 H new ATOM 0 HB2 ALA A 408 90.272 28.886 2.968 1.00 0.00 H new ATOM 0 HB3 ALA A 408 88.758 28.676 2.057 1.00 0.00 H new ATOM 1323 N ASP A 409 88.060 26.416 0.776 1.00 0.00 N ATOM 1324 CA ASP A 409 86.955 25.548 0.370 1.00 0.00 C ATOM 1325 C ASP A 409 87.433 24.115 0.139 1.00 0.00 C ATOM 1326 O ASP A 409 86.822 23.161 0.621 1.00 0.00 O ATOM 1327 CB ASP A 409 86.317 26.084 -0.913 1.00 0.00 C ATOM 1328 CG ASP A 409 84.979 25.396 -1.159 1.00 0.00 C ATOM 1329 OD1 ASP A 409 84.137 25.451 -0.277 1.00 0.00 O ATOM 1330 OD2 ASP A 409 84.816 24.826 -2.224 1.00 0.00 O ATOM 0 H ASP A 409 88.025 27.356 0.381 1.00 0.00 H new ATOM 0 HA ASP A 409 86.219 25.541 1.174 1.00 0.00 H new ATOM 0 HB2 ASP A 409 86.172 27.161 -0.834 1.00 0.00 H new ATOM 0 HB3 ASP A 409 86.983 25.914 -1.759 1.00 0.00 H new ATOM 1335 N VAL A 410 88.529 23.972 -0.599 1.00 0.00 N ATOM 1336 CA VAL A 410 89.079 22.653 -0.886 1.00 0.00 C ATOM 1337 C VAL A 410 89.766 22.077 0.351 1.00 0.00 C ATOM 1338 O VAL A 410 89.823 20.861 0.531 1.00 0.00 O ATOM 1339 CB VAL A 410 90.083 22.749 -2.038 1.00 0.00 C ATOM 1340 CG1 VAL A 410 90.755 21.391 -2.254 1.00 0.00 C ATOM 1341 CG2 VAL A 410 89.349 23.161 -3.317 1.00 0.00 C ATOM 0 H VAL A 410 89.051 24.748 -1.007 1.00 0.00 H new ATOM 0 HA VAL A 410 88.262 21.990 -1.171 1.00 0.00 H new ATOM 0 HB VAL A 410 90.842 23.492 -1.794 1.00 0.00 H new ATOM 0 HG11 VAL A 410 91.468 21.465 -3.075 1.00 0.00 H new ATOM 0 HG12 VAL A 410 91.278 21.095 -1.344 1.00 0.00 H new ATOM 0 HG13 VAL A 410 89.998 20.645 -2.497 1.00 0.00 H new ATOM 0 HG21 VAL A 410 90.061 23.230 -4.139 1.00 0.00 H new ATOM 0 HG22 VAL A 410 88.590 22.417 -3.557 1.00 0.00 H new ATOM 0 HG23 VAL A 410 88.873 24.130 -3.167 1.00 0.00 H new ATOM 1351 N GLN A 411 90.289 22.959 1.198 1.00 0.00 N ATOM 1352 CA GLN A 411 90.974 22.528 2.416 1.00 0.00 C ATOM 1353 C GLN A 411 89.967 22.273 3.536 1.00 0.00 C ATOM 1354 O GLN A 411 90.296 21.662 4.552 1.00 0.00 O ATOM 1355 CB GLN A 411 91.974 23.603 2.858 1.00 0.00 C ATOM 1356 CG GLN A 411 92.992 22.998 3.829 1.00 0.00 C ATOM 1357 CD GLN A 411 93.925 24.087 4.350 1.00 0.00 C ATOM 1358 OE1 GLN A 411 93.468 25.154 4.759 1.00 0.00 O ATOM 1359 NE2 GLN A 411 95.213 23.879 4.360 1.00 0.00 N ATOM 0 H GLN A 411 90.253 23.970 1.066 1.00 0.00 H new ATOM 0 HA GLN A 411 91.506 21.600 2.205 1.00 0.00 H new ATOM 0 HB2 GLN A 411 92.487 24.015 1.989 1.00 0.00 H new ATOM 0 HB3 GLN A 411 91.447 24.428 3.337 1.00 0.00 H new ATOM 0 HG2 GLN A 411 92.474 22.522 4.662 1.00 0.00 H new ATOM 0 HG3 GLN A 411 93.570 22.222 3.327 1.00 0.00 H new ATOM 0 HE21 GLN A 411 95.589 22.994 4.021 1.00 0.00 H new ATOM 0 HE22 GLN A 411 95.844 24.602 4.707 1.00 0.00 H new ATOM 1368 N ALA A 412 88.739 22.745 3.343 1.00 0.00 N ATOM 1369 CA ALA A 412 87.695 22.561 4.346 1.00 0.00 C ATOM 1370 C ALA A 412 87.128 21.147 4.278 1.00 0.00 C ATOM 1371 O ALA A 412 86.657 20.609 5.280 1.00 0.00 O ATOM 1372 CB ALA A 412 86.571 23.574 4.122 1.00 0.00 C ATOM 0 H ALA A 412 88.444 23.253 2.509 1.00 0.00 H new ATOM 0 HA ALA A 412 88.134 22.717 5.331 1.00 0.00 H new ATOM 0 HB1 ALA A 412 85.796 23.430 4.875 1.00 0.00 H new ATOM 0 HB2 ALA A 412 86.971 24.585 4.202 1.00 0.00 H new ATOM 0 HB3 ALA A 412 86.144 23.430 3.129 1.00 0.00 H new ATOM 1378 N LYS A 413 87.177 20.552 3.091 1.00 0.00 N ATOM 1379 CA LYS A 413 86.665 19.199 2.903 1.00 0.00 C ATOM 1380 C LYS A 413 87.482 18.208 3.726 1.00 0.00 C ATOM 1381 O LYS A 413 87.234 17.002 3.692 1.00 0.00 O ATOM 1382 CB LYS A 413 86.722 18.818 1.412 1.00 0.00 C ATOM 1383 CG LYS A 413 86.552 20.079 0.557 1.00 0.00 C ATOM 1384 CD LYS A 413 86.196 19.695 -0.895 1.00 0.00 C ATOM 1385 CE LYS A 413 84.678 19.526 -1.043 1.00 0.00 C ATOM 1386 NZ LYS A 413 84.389 18.692 -2.245 1.00 0.00 N ATOM 0 H LYS A 413 87.563 20.981 2.250 1.00 0.00 H new ATOM 0 HA LYS A 413 85.629 19.165 3.239 1.00 0.00 H new ATOM 0 HB2 LYS A 413 87.673 18.337 1.185 1.00 0.00 H new ATOM 0 HB3 LYS A 413 85.937 18.099 1.179 1.00 0.00 H new ATOM 0 HG2 LYS A 413 85.768 20.709 0.977 1.00 0.00 H new ATOM 0 HG3 LYS A 413 87.472 20.663 0.571 1.00 0.00 H new ATOM 0 HD2 LYS A 413 86.552 20.465 -1.580 1.00 0.00 H new ATOM 0 HD3 LYS A 413 86.700 18.768 -1.168 1.00 0.00 H new ATOM 0 HE2 LYS A 413 84.265 19.055 -0.151 1.00 0.00 H new ATOM 0 HE3 LYS A 413 84.200 20.501 -1.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 83.839 19.249 -2.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 85.283 18.392 -2.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 83.843 17.853 -1.962 1.00 0.00 H new ATOM 1400 N ASN A 414 88.456 18.730 4.461 1.00 0.00 N ATOM 1401 CA ASN A 414 89.313 17.898 5.292 1.00 0.00 C ATOM 1402 C ASN A 414 90.155 16.955 4.435 1.00 0.00 C ATOM 1403 O ASN A 414 89.951 15.741 4.448 1.00 0.00 O ATOM 1404 CB ASN A 414 88.467 17.087 6.279 1.00 0.00 C ATOM 1405 CG ASN A 414 89.339 16.578 7.424 1.00 0.00 C ATOM 1406 OD1 ASN A 414 89.580 17.302 8.390 1.00 0.00 O ATOM 1407 ND2 ASN A 414 89.827 15.369 7.374 1.00 0.00 N ATOM 0 H ASN A 414 88.671 19.726 4.498 1.00 0.00 H new ATOM 0 HA ASN A 414 89.985 18.553 5.848 1.00 0.00 H new ATOM 0 HB2 ASN A 414 87.661 17.706 6.673 1.00 0.00 H new ATOM 0 HB3 ASN A 414 88.001 16.246 5.765 1.00 0.00 H new ATOM 0 HD21 ASN A 414 90.409 15.022 8.136 1.00 0.00 H new ATOM 0 HD22 ASN A 414 89.626 14.771 6.573 1.00 0.00 H new ATOM 1414 N PRO A 415 91.095 17.491 3.699 1.00 0.00 N ATOM 1415 CA PRO A 415 91.993 16.682 2.820 1.00 0.00 C ATOM 1416 C PRO A 415 92.685 15.558 3.594 1.00 0.00 C ATOM 1417 O PRO A 415 93.312 15.799 4.625 1.00 0.00 O ATOM 1418 CB PRO A 415 93.013 17.709 2.296 1.00 0.00 C ATOM 1419 CG PRO A 415 92.322 19.031 2.404 1.00 0.00 C ATOM 1420 CD PRO A 415 91.404 18.929 3.622 1.00 0.00 C ATOM 0 HA PRO A 415 91.448 16.179 2.021 1.00 0.00 H new ATOM 0 HB2 PRO A 415 93.929 17.693 2.887 1.00 0.00 H new ATOM 0 HB3 PRO A 415 93.295 17.494 1.265 1.00 0.00 H new ATOM 0 HG2 PRO A 415 93.043 19.839 2.526 1.00 0.00 H new ATOM 0 HG3 PRO A 415 91.750 19.247 1.502 1.00 0.00 H new ATOM 0 HD2 PRO A 415 91.897 19.283 4.527 1.00 0.00 H new ATOM 0 HD3 PRO A 415 90.502 19.527 3.496 1.00 0.00 H new ATOM 1428 N TRP A 416 92.566 14.329 3.088 1.00 0.00 N ATOM 1429 CA TRP A 416 93.184 13.167 3.734 1.00 0.00 C ATOM 1430 C TRP A 416 94.064 12.411 2.739 1.00 0.00 C ATOM 1431 O TRP A 416 93.652 12.142 1.611 1.00 0.00 O ATOM 1432 CB TRP A 416 92.095 12.238 4.290 1.00 0.00 C ATOM 1433 CG TRP A 416 91.426 11.493 3.174 1.00 0.00 C ATOM 1434 CD1 TRP A 416 90.567 12.034 2.282 1.00 0.00 C ATOM 1435 CD2 TRP A 416 91.552 10.085 2.821 1.00 0.00 C ATOM 1436 NE1 TRP A 416 90.156 11.047 1.403 1.00 0.00 N ATOM 1437 CE2 TRP A 416 90.737 9.828 1.695 1.00 0.00 C ATOM 1438 CE3 TRP A 416 92.288 9.016 3.364 1.00 0.00 C ATOM 1439 CZ2 TRP A 416 90.654 8.556 1.126 1.00 0.00 C ATOM 1440 CZ3 TRP A 416 92.207 7.735 2.795 1.00 0.00 C ATOM 1441 CH2 TRP A 416 91.392 7.506 1.679 1.00 0.00 C ATOM 0 H TRP A 416 92.049 14.112 2.236 1.00 0.00 H new ATOM 0 HA TRP A 416 93.810 13.513 4.557 1.00 0.00 H new ATOM 0 HB2 TRP A 416 92.535 11.532 4.995 1.00 0.00 H new ATOM 0 HB3 TRP A 416 91.357 12.821 4.841 1.00 0.00 H new ATOM 0 HD1 TRP A 416 90.253 13.067 2.259 1.00 0.00 H new ATOM 0 HE1 TRP A 416 89.504 11.201 0.634 1.00 0.00 H new ATOM 0 HE3 TRP A 416 92.920 9.182 4.224 1.00 0.00 H new ATOM 0 HZ2 TRP A 416 90.024 8.385 0.265 1.00 0.00 H new ATOM 0 HZ3 TRP A 416 92.776 6.922 3.220 1.00 0.00 H new ATOM 0 HH2 TRP A 416 91.334 6.518 1.246 1.00 0.00 H new ATOM 1452 N ALA A 417 95.275 12.073 3.167 1.00 0.00 N ATOM 1453 CA ALA A 417 96.201 11.348 2.305 1.00 0.00 C ATOM 1454 C ALA A 417 95.633 9.978 1.946 1.00 0.00 C ATOM 1455 O ALA A 417 94.777 9.445 2.652 1.00 0.00 O ATOM 1456 CB ALA A 417 97.550 11.182 3.008 1.00 0.00 C ATOM 0 H ALA A 417 95.636 12.287 4.097 1.00 0.00 H new ATOM 0 HA ALA A 417 96.342 11.920 1.388 1.00 0.00 H new ATOM 0 HB1 ALA A 417 98.235 10.639 2.357 1.00 0.00 H new ATOM 0 HB2 ALA A 417 97.966 12.164 3.235 1.00 0.00 H new ATOM 0 HB3 ALA A 417 97.411 10.624 3.934 1.00 0.00 H new ATOM 1462 N LYS A 418 96.116 9.414 0.842 1.00 0.00 N ATOM 1463 CA LYS A 418 95.654 8.104 0.390 1.00 0.00 C ATOM 1464 C LYS A 418 96.740 7.422 -0.451 1.00 0.00 C ATOM 1465 O LYS A 418 96.747 7.544 -1.676 1.00 0.00 O ATOM 1466 CB LYS A 418 94.372 8.263 -0.444 1.00 0.00 C ATOM 1467 CG LYS A 418 94.489 9.493 -1.355 1.00 0.00 C ATOM 1468 CD LYS A 418 93.218 9.640 -2.210 1.00 0.00 C ATOM 1469 CE LYS A 418 93.293 8.728 -3.442 1.00 0.00 C ATOM 1470 NZ LYS A 418 92.140 9.017 -4.341 1.00 0.00 N ATOM 0 H LYS A 418 96.825 9.841 0.246 1.00 0.00 H new ATOM 0 HA LYS A 418 95.441 7.485 1.261 1.00 0.00 H new ATOM 0 HB2 LYS A 418 94.206 7.369 -1.045 1.00 0.00 H new ATOM 0 HB3 LYS A 418 93.510 8.369 0.215 1.00 0.00 H new ATOM 0 HG2 LYS A 418 94.637 10.389 -0.752 1.00 0.00 H new ATOM 0 HG3 LYS A 418 95.362 9.395 -2.001 1.00 0.00 H new ATOM 0 HD2 LYS A 418 92.341 9.387 -1.615 1.00 0.00 H new ATOM 0 HD3 LYS A 418 93.101 10.677 -2.524 1.00 0.00 H new ATOM 0 HE2 LYS A 418 94.232 8.890 -3.972 1.00 0.00 H new ATOM 0 HE3 LYS A 418 93.277 7.682 -3.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 418 91.530 8.177 -4.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 418 91.593 9.814 -3.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 418 92.492 9.262 -5.289 1.00 0.00 H new ATOM 1484 N PRO A 419 97.660 6.720 0.170 1.00 0.00 N ATOM 1485 CA PRO A 419 98.763 6.032 -0.561 1.00 0.00 C ATOM 1486 C PRO A 419 98.270 5.332 -1.827 1.00 0.00 C ATOM 1487 O PRO A 419 97.539 4.344 -1.760 1.00 0.00 O ATOM 1488 CB PRO A 419 99.296 5.033 0.467 1.00 0.00 C ATOM 1489 CG PRO A 419 99.060 5.696 1.785 1.00 0.00 C ATOM 1490 CD PRO A 419 97.759 6.495 1.628 1.00 0.00 C ATOM 0 HA PRO A 419 99.525 6.726 -0.917 1.00 0.00 H new ATOM 0 HB2 PRO A 419 98.773 4.079 0.403 1.00 0.00 H new ATOM 0 HB3 PRO A 419 100.355 4.827 0.309 1.00 0.00 H new ATOM 0 HG2 PRO A 419 98.971 4.959 2.583 1.00 0.00 H new ATOM 0 HG3 PRO A 419 99.891 6.351 2.047 1.00 0.00 H new ATOM 0 HD2 PRO A 419 96.900 5.941 2.007 1.00 0.00 H new ATOM 0 HD3 PRO A 419 97.798 7.436 2.177 1.00 0.00 H new ATOM 1498 N LEU A 420 98.676 5.860 -2.977 1.00 0.00 N ATOM 1499 CA LEU A 420 98.275 5.293 -4.259 1.00 0.00 C ATOM 1500 C LEU A 420 98.390 3.772 -4.235 1.00 0.00 C ATOM 1501 O LEU A 420 97.800 3.082 -5.066 1.00 0.00 O ATOM 1502 CB LEU A 420 99.161 5.869 -5.376 1.00 0.00 C ATOM 1503 CG LEU A 420 98.637 5.442 -6.777 1.00 0.00 C ATOM 1504 CD1 LEU A 420 98.775 6.604 -7.770 1.00 0.00 C ATOM 1505 CD2 LEU A 420 99.443 4.243 -7.307 1.00 0.00 C ATOM 0 H LEU A 420 99.281 6.678 -3.047 1.00 0.00 H new ATOM 0 HA LEU A 420 97.234 5.555 -4.448 1.00 0.00 H new ATOM 0 HB2 LEU A 420 99.180 6.957 -5.306 1.00 0.00 H new ATOM 0 HB3 LEU A 420 100.187 5.524 -5.246 1.00 0.00 H new ATOM 0 HG LEU A 420 97.588 5.163 -6.677 1.00 0.00 H new ATOM 0 HD11 LEU A 420 98.405 6.293 -8.747 1.00 0.00 H new ATOM 0 HD12 LEU A 420 98.194 7.456 -7.416 1.00 0.00 H new ATOM 0 HD13 LEU A 420 99.824 6.889 -7.853 1.00 0.00 H new ATOM 0 HD21 LEU A 420 99.065 3.956 -8.288 1.00 0.00 H new ATOM 0 HD22 LEU A 420 100.494 4.519 -7.390 1.00 0.00 H new ATOM 0 HD23 LEU A 420 99.342 3.404 -6.619 1.00 0.00 H new ATOM 1517 N ARG A 421 99.151 3.254 -3.276 1.00 0.00 N ATOM 1518 CA ARG A 421 99.332 1.812 -3.156 1.00 0.00 C ATOM 1519 C ARG A 421 97.982 1.109 -3.049 1.00 0.00 C ATOM 1520 O ARG A 421 97.888 -0.105 -3.235 1.00 0.00 O ATOM 1521 CB ARG A 421 100.180 1.487 -1.923 1.00 0.00 C ATOM 1522 CG ARG A 421 101.367 2.455 -1.840 1.00 0.00 C ATOM 1523 CD ARG A 421 102.438 1.878 -0.909 1.00 0.00 C ATOM 1524 NE ARG A 421 101.813 1.198 0.222 1.00 0.00 N ATOM 1525 CZ ARG A 421 101.454 1.864 1.317 1.00 0.00 C ATOM 1526 NH1 ARG A 421 101.660 3.149 1.397 1.00 0.00 N ATOM 1527 NH2 ARG A 421 100.897 1.228 2.312 1.00 0.00 N ATOM 0 H ARG A 421 99.648 3.806 -2.577 1.00 0.00 H new ATOM 0 HA ARG A 421 99.845 1.456 -4.050 1.00 0.00 H new ATOM 0 HB2 ARG A 421 99.572 1.564 -1.021 1.00 0.00 H new ATOM 0 HB3 ARG A 421 100.540 0.460 -1.978 1.00 0.00 H new ATOM 0 HG2 ARG A 421 101.785 2.620 -2.833 1.00 0.00 H new ATOM 0 HG3 ARG A 421 101.033 3.424 -1.470 1.00 0.00 H new ATOM 0 HD2 ARG A 421 103.069 1.180 -1.458 1.00 0.00 H new ATOM 0 HD3 ARG A 421 103.086 2.677 -0.549 1.00 0.00 H new ATOM 0 HE ARG A 421 101.648 0.193 0.172 1.00 0.00 H new ATOM 0 HH11 ARG A 421 102.097 3.645 0.620 1.00 0.00 H new ATOM 0 HH12 ARG A 421 101.384 3.658 2.237 1.00 0.00 H new ATOM 0 HH21 ARG A 421 100.738 0.222 2.249 1.00 0.00 H new ATOM 0 HH22 ARG A 421 100.621 1.737 3.152 1.00 0.00 H new ATOM 1541 N GLN A 422 96.938 1.878 -2.743 1.00 0.00 N ATOM 1542 CA GLN A 422 95.594 1.319 -2.609 1.00 0.00 C ATOM 1543 C GLN A 422 94.880 1.305 -3.954 1.00 0.00 C ATOM 1544 O GLN A 422 94.509 0.242 -4.454 1.00 0.00 O ATOM 1545 CB GLN A 422 94.785 2.145 -1.603 1.00 0.00 C ATOM 1546 CG GLN A 422 93.445 1.456 -1.311 1.00 0.00 C ATOM 1547 CD GLN A 422 92.467 1.700 -2.456 1.00 0.00 C ATOM 1548 OE1 GLN A 422 92.071 2.838 -2.705 1.00 0.00 O ATOM 1549 NE2 GLN A 422 92.050 0.691 -3.173 1.00 0.00 N ATOM 0 H GLN A 422 96.996 2.884 -2.584 1.00 0.00 H new ATOM 0 HA GLN A 422 95.681 0.293 -2.251 1.00 0.00 H new ATOM 0 HB2 GLN A 422 95.351 2.263 -0.679 1.00 0.00 H new ATOM 0 HB3 GLN A 422 94.610 3.145 -1.999 1.00 0.00 H new ATOM 0 HG2 GLN A 422 93.600 0.385 -1.177 1.00 0.00 H new ATOM 0 HG3 GLN A 422 93.027 1.837 -0.379 1.00 0.00 H new ATOM 0 HE21 GLN A 422 92.379 -0.252 -2.966 1.00 0.00 H new ATOM 0 HE22 GLN A 422 91.396 0.846 -3.940 1.00 0.00 H new ATOM 1558 N VAL A 423 94.686 2.489 -4.536 1.00 0.00 N ATOM 1559 CA VAL A 423 94.009 2.600 -5.828 1.00 0.00 C ATOM 1560 C VAL A 423 94.425 1.464 -6.756 1.00 0.00 C ATOM 1561 O VAL A 423 93.691 1.097 -7.673 1.00 0.00 O ATOM 1562 CB VAL A 423 94.353 3.938 -6.482 1.00 0.00 C ATOM 1563 CG1 VAL A 423 93.489 4.133 -7.730 1.00 0.00 C ATOM 1564 CG2 VAL A 423 94.085 5.073 -5.493 1.00 0.00 C ATOM 0 H VAL A 423 94.986 3.378 -4.137 1.00 0.00 H new ATOM 0 HA VAL A 423 92.934 2.539 -5.657 1.00 0.00 H new ATOM 0 HB VAL A 423 95.406 3.944 -6.765 1.00 0.00 H new ATOM 0 HG11 VAL A 423 93.734 5.087 -8.197 1.00 0.00 H new ATOM 0 HG12 VAL A 423 93.681 3.324 -8.435 1.00 0.00 H new ATOM 0 HG13 VAL A 423 92.436 4.127 -7.448 1.00 0.00 H new ATOM 0 HG21 VAL A 423 94.330 6.027 -5.959 1.00 0.00 H new ATOM 0 HG22 VAL A 423 93.033 5.068 -5.209 1.00 0.00 H new ATOM 0 HG23 VAL A 423 94.701 4.934 -4.604 1.00 0.00 H new ATOM 1574 N GLN A 424 95.605 0.905 -6.503 1.00 0.00 N ATOM 1575 CA GLN A 424 96.101 -0.196 -7.315 1.00 0.00 C ATOM 1576 C GLN A 424 95.058 -1.305 -7.375 1.00 0.00 C ATOM 1577 O GLN A 424 95.180 -2.252 -8.153 1.00 0.00 O ATOM 1578 CB GLN A 424 97.404 -0.743 -6.726 1.00 0.00 C ATOM 1579 CG GLN A 424 98.536 0.259 -6.963 1.00 0.00 C ATOM 1580 CD GLN A 424 99.865 -0.343 -6.522 1.00 0.00 C ATOM 1581 OE1 GLN A 424 100.698 0.350 -5.937 1.00 0.00 O ATOM 1582 NE2 GLN A 424 100.117 -1.599 -6.771 1.00 0.00 N ATOM 0 H GLN A 424 96.228 1.194 -5.749 1.00 0.00 H new ATOM 0 HA GLN A 424 96.296 0.171 -8.323 1.00 0.00 H new ATOM 0 HB2 GLN A 424 97.284 -0.925 -5.658 1.00 0.00 H new ATOM 0 HB3 GLN A 424 97.650 -1.700 -7.187 1.00 0.00 H new ATOM 0 HG2 GLN A 424 98.581 0.527 -8.019 1.00 0.00 H new ATOM 0 HG3 GLN A 424 98.342 1.178 -6.409 1.00 0.00 H new ATOM 0 HE21 GLN A 424 99.426 -2.171 -7.256 1.00 0.00 H new ATOM 0 HE22 GLN A 424 101.005 -2.008 -6.481 1.00 0.00 H new