USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=24 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 355 SER OG : rot 180:sc= 0.292 USER MOD Set 1.2: A 357 ASN : amide:sc= -2.31! C(o=-2!,f=-2.1!) USER MOD Single : A 345 SER OG : rot 180:sc= 0 USER MOD Single : A 346 SER OG : rot 180:sc= 0 USER MOD Single : A 347 HIS : no HD1:sc= -0.122 X(o=-0.12,f=0) USER MOD Single : A 348 TYR OH : rot 180:sc= 0 USER MOD Single : A 349 THR OG1 : rot 180:sc= -0.177 USER MOD Single : A 351 GLN : amide:sc= -3.22! C(o=-3.2!,f=-4.6!) USER MOD Single : A 353 SER OG : rot -163:sc= 1.3 USER MOD Single : A 354 SER OG : rot 180:sc= 0 USER MOD Single : A 356 SER OG : rot 68:sc= 1.21 USER MOD Single : A 358 TYR OH : rot 180:sc= 0 USER MOD Single : A 360 ASN : amide:sc= 0.651 K(o=0.65,f=-5.4!) USER MOD Single : A 362 ASN : amide:sc= -1.63! K(o=-1.6!,f=-0.25) USER MOD Single : A 366 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 367 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 369 ASN : amide:sc= -0.245 K(o=-0.25,f=-3!) USER MOD Single : A 371 LYS NZ :NH3+ -162:sc=-0.00819 (180deg=-0.359) USER MOD Single : A 372 ASN : amide:sc= -6.76! C(o=-6.8!,f=-2!) USER MOD Single : A 373 TYR OH : rot 180:sc= 0 USER MOD Single : A 376 TYR OH : rot 150:sc= -1.9 USER MOD Single : A 378 THR OG1 : rot 180:sc= 0.358! USER MOD Single : A 379 THR OG1 : rot 180:sc= 0 USER MOD Single : A 381 ASN : amide:sc= -4.14! C(o=-4.1!,f=-4.4!) USER MOD Single : A 383 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 386 TYR OH : rot 180:sc=-0.00661 USER MOD Single : A 390 SER OG : rot 180:sc= -0.2 USER MOD Single : A 393 TYR OH : rot 180:sc= -0.0839 USER MOD Single : A 395 SER OG : rot -24:sc= 0.22 USER MOD Single : A 396 LYS NZ :NH3+ -165:sc=-0.00749 (180deg=-0.301) USER MOD Single : A 400 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 401 LYS NZ :NH3+ -139:sc= -2.91! (180deg=-5.57!) USER MOD Single : A 404 SER OG : rot 180:sc= 0.00897 USER MOD Single : A 405 THR OG1 : rot -87:sc= 0.286 USER MOD Single : A 411 GLN : amide:sc= -0.124 X(o=-0.12,f=0) USER MOD Single : A 413 LYS NZ :NH3+ 151:sc= -0.244 (180deg=-1.23) USER MOD Single : A 414 ASN : amide:sc= -0.092 X(o=-0.092,f=-0.2) USER MOD Single : A 418 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0778) USER MOD Single : A 422 GLN : amide:sc= -0.165 X(o=-0.17,f=-0.36) USER MOD Single : A 424 GLN : amide:sc= -3.69! C(o=-3.7!,f=-8.7!) USER MOD ----------------------------------------------------------------- ATOM 321 N SER A 345 104.414 2.326 -4.981 1.00 0.00 N ATOM 322 CA SER A 345 103.926 2.971 -3.767 1.00 0.00 C ATOM 323 C SER A 345 104.716 4.245 -3.484 1.00 0.00 C ATOM 324 O SER A 345 104.492 4.914 -2.476 1.00 0.00 O ATOM 325 CB SER A 345 104.056 2.016 -2.581 1.00 0.00 C ATOM 326 OG SER A 345 105.417 1.947 -2.181 1.00 0.00 O ATOM 0 HA SER A 345 102.877 3.230 -3.912 1.00 0.00 H new ATOM 0 HB2 SER A 345 103.438 2.361 -1.752 1.00 0.00 H new ATOM 0 HB3 SER A 345 103.695 1.025 -2.856 1.00 0.00 H new ATOM 0 HG SER A 345 105.504 1.336 -1.419 1.00 0.00 H new ATOM 332 N SER A 346 105.642 4.572 -4.380 1.00 0.00 N ATOM 333 CA SER A 346 106.461 5.768 -4.215 1.00 0.00 C ATOM 334 C SER A 346 105.659 7.020 -4.556 1.00 0.00 C ATOM 335 O SER A 346 105.853 8.075 -3.955 1.00 0.00 O ATOM 336 CB SER A 346 107.690 5.686 -5.120 1.00 0.00 C ATOM 337 OG SER A 346 108.416 4.501 -4.822 1.00 0.00 O ATOM 0 H SER A 346 105.843 4.031 -5.221 1.00 0.00 H new ATOM 0 HA SER A 346 106.778 5.827 -3.174 1.00 0.00 H new ATOM 0 HB2 SER A 346 107.386 5.686 -6.167 1.00 0.00 H new ATOM 0 HB3 SER A 346 108.323 6.561 -4.972 1.00 0.00 H new ATOM 0 HG SER A 346 109.204 4.445 -5.402 1.00 0.00 H new ATOM 343 N HIS A 347 104.757 6.894 -5.525 1.00 0.00 N ATOM 344 CA HIS A 347 103.932 8.023 -5.936 1.00 0.00 C ATOM 345 C HIS A 347 103.207 8.621 -4.734 1.00 0.00 C ATOM 346 O HIS A 347 103.457 8.240 -3.591 1.00 0.00 O ATOM 347 CB HIS A 347 102.907 7.573 -6.985 1.00 0.00 C ATOM 348 CG HIS A 347 103.588 7.393 -8.317 1.00 0.00 C ATOM 349 ND1 HIS A 347 103.016 7.825 -9.503 1.00 0.00 N ATOM 350 CD2 HIS A 347 104.794 6.836 -8.663 1.00 0.00 C ATOM 351 CE1 HIS A 347 103.870 7.523 -10.497 1.00 0.00 C ATOM 352 NE2 HIS A 347 104.970 6.919 -10.041 1.00 0.00 N ATOM 0 H HIS A 347 104.580 6.029 -6.036 1.00 0.00 H new ATOM 0 HA HIS A 347 104.581 8.783 -6.370 1.00 0.00 H new ATOM 0 HB2 HIS A 347 102.441 6.638 -6.675 1.00 0.00 H new ATOM 0 HB3 HIS A 347 102.111 8.313 -7.070 1.00 0.00 H new ATOM 0 HD2 HIS A 347 105.499 6.400 -7.971 1.00 0.00 H new ATOM 0 HE1 HIS A 347 103.688 7.743 -11.539 1.00 0.00 H new ATOM 0 HE2 HIS A 347 105.767 6.590 -10.585 1.00 0.00 H new ATOM 361 N TYR A 348 102.304 9.557 -5.005 1.00 0.00 N ATOM 362 CA TYR A 348 101.539 10.208 -3.948 1.00 0.00 C ATOM 363 C TYR A 348 100.418 11.046 -4.561 1.00 0.00 C ATOM 364 O TYR A 348 100.606 11.695 -5.589 1.00 0.00 O ATOM 365 CB TYR A 348 102.474 11.103 -3.098 1.00 0.00 C ATOM 366 CG TYR A 348 102.913 10.373 -1.844 1.00 0.00 C ATOM 367 CD1 TYR A 348 101.999 10.171 -0.804 1.00 0.00 C ATOM 368 CD2 TYR A 348 104.226 9.902 -1.724 1.00 0.00 C ATOM 369 CE1 TYR A 348 102.397 9.500 0.357 1.00 0.00 C ATOM 370 CE2 TYR A 348 104.624 9.230 -0.562 1.00 0.00 C ATOM 371 CZ TYR A 348 103.709 9.029 0.479 1.00 0.00 C ATOM 372 OH TYR A 348 104.102 8.366 1.624 1.00 0.00 O ATOM 0 H TYR A 348 102.084 9.882 -5.947 1.00 0.00 H new ATOM 0 HA TYR A 348 101.098 9.448 -3.303 1.00 0.00 H new ATOM 0 HB2 TYR A 348 103.347 11.387 -3.685 1.00 0.00 H new ATOM 0 HB3 TYR A 348 101.958 12.024 -2.828 1.00 0.00 H new ATOM 0 HD1 TYR A 348 100.986 10.533 -0.898 1.00 0.00 H new ATOM 0 HD2 TYR A 348 104.931 10.057 -2.527 1.00 0.00 H new ATOM 0 HE1 TYR A 348 101.691 9.345 1.160 1.00 0.00 H new ATOM 0 HE2 TYR A 348 105.637 8.867 -0.468 1.00 0.00 H new ATOM 0 HH TYR A 348 105.043 8.105 1.544 1.00 0.00 H new ATOM 382 N THR A 349 99.252 11.029 -3.919 1.00 0.00 N ATOM 383 CA THR A 349 98.101 11.790 -4.399 1.00 0.00 C ATOM 384 C THR A 349 97.301 12.330 -3.219 1.00 0.00 C ATOM 385 O THR A 349 97.541 11.954 -2.072 1.00 0.00 O ATOM 386 CB THR A 349 97.204 10.897 -5.260 1.00 0.00 C ATOM 387 OG1 THR A 349 96.173 11.685 -5.841 1.00 0.00 O ATOM 388 CG2 THR A 349 96.583 9.802 -4.391 1.00 0.00 C ATOM 0 H THR A 349 99.079 10.497 -3.066 1.00 0.00 H new ATOM 0 HA THR A 349 98.460 12.625 -5.000 1.00 0.00 H new ATOM 0 HB THR A 349 97.799 10.436 -6.048 1.00 0.00 H new ATOM 0 HG1 THR A 349 95.598 11.116 -6.394 1.00 0.00 H new ATOM 0 HG21 THR A 349 95.945 9.168 -5.006 1.00 0.00 H new ATOM 0 HG22 THR A 349 97.374 9.198 -3.946 1.00 0.00 H new ATOM 0 HG23 THR A 349 95.987 10.259 -3.601 1.00 0.00 H new ATOM 396 N LEU A 350 96.350 13.215 -3.506 1.00 0.00 N ATOM 397 CA LEU A 350 95.512 13.807 -2.461 1.00 0.00 C ATOM 398 C LEU A 350 94.063 13.877 -2.930 1.00 0.00 C ATOM 399 O LEU A 350 93.768 13.638 -4.100 1.00 0.00 O ATOM 400 CB LEU A 350 96.015 15.219 -2.124 1.00 0.00 C ATOM 401 CG LEU A 350 97.318 15.141 -1.294 1.00 0.00 C ATOM 402 CD1 LEU A 350 98.157 16.403 -1.524 1.00 0.00 C ATOM 403 CD2 LEU A 350 96.986 15.030 0.202 1.00 0.00 C ATOM 0 H LEU A 350 96.139 13.539 -4.450 1.00 0.00 H new ATOM 0 HA LEU A 350 95.569 13.183 -1.569 1.00 0.00 H new ATOM 0 HB2 LEU A 350 96.194 15.778 -3.043 1.00 0.00 H new ATOM 0 HB3 LEU A 350 95.252 15.761 -1.565 1.00 0.00 H new ATOM 0 HG LEU A 350 97.879 14.261 -1.609 1.00 0.00 H new ATOM 0 HD11 LEU A 350 99.073 16.343 -0.937 1.00 0.00 H new ATOM 0 HD12 LEU A 350 98.408 16.485 -2.581 1.00 0.00 H new ATOM 0 HD13 LEU A 350 97.587 17.280 -1.217 1.00 0.00 H new ATOM 0 HD21 LEU A 350 97.911 14.976 0.777 1.00 0.00 H new ATOM 0 HD22 LEU A 350 96.416 15.905 0.514 1.00 0.00 H new ATOM 0 HD23 LEU A 350 96.396 14.131 0.378 1.00 0.00 H new ATOM 415 N GLN A 351 93.159 14.206 -2.007 1.00 0.00 N ATOM 416 CA GLN A 351 91.733 14.306 -2.324 1.00 0.00 C ATOM 417 C GLN A 351 91.258 15.743 -2.164 1.00 0.00 C ATOM 418 O GLN A 351 91.421 16.347 -1.103 1.00 0.00 O ATOM 419 CB GLN A 351 90.929 13.396 -1.393 1.00 0.00 C ATOM 420 CG GLN A 351 89.461 13.398 -1.821 1.00 0.00 C ATOM 421 CD GLN A 351 88.672 12.401 -0.978 1.00 0.00 C ATOM 422 OE1 GLN A 351 88.154 12.755 0.081 1.00 0.00 O ATOM 423 NE2 GLN A 351 88.549 11.169 -1.388 1.00 0.00 N ATOM 0 H GLN A 351 93.388 14.408 -1.034 1.00 0.00 H new ATOM 0 HA GLN A 351 91.582 13.994 -3.357 1.00 0.00 H new ATOM 0 HB2 GLN A 351 91.327 12.382 -1.426 1.00 0.00 H new ATOM 0 HB3 GLN A 351 91.019 13.741 -0.363 1.00 0.00 H new ATOM 0 HG2 GLN A 351 89.041 14.397 -1.706 1.00 0.00 H new ATOM 0 HG3 GLN A 351 89.381 13.138 -2.877 1.00 0.00 H new ATOM 0 HE21 GLN A 351 88.979 10.878 -2.266 1.00 0.00 H new ATOM 0 HE22 GLN A 351 88.023 10.496 -0.831 1.00 0.00 H new ATOM 432 N LEU A 352 90.672 16.287 -3.222 1.00 0.00 N ATOM 433 CA LEU A 352 90.180 17.656 -3.189 1.00 0.00 C ATOM 434 C LEU A 352 88.873 17.742 -2.405 1.00 0.00 C ATOM 435 O LEU A 352 88.640 18.707 -1.677 1.00 0.00 O ATOM 436 CB LEU A 352 89.964 18.164 -4.615 1.00 0.00 C ATOM 437 CG LEU A 352 91.123 17.705 -5.503 1.00 0.00 C ATOM 438 CD1 LEU A 352 90.966 18.311 -6.898 1.00 0.00 C ATOM 439 CD2 LEU A 352 92.450 18.168 -4.892 1.00 0.00 C ATOM 0 H LEU A 352 90.527 15.804 -4.109 1.00 0.00 H new ATOM 0 HA LEU A 352 90.923 18.279 -2.691 1.00 0.00 H new ATOM 0 HB2 LEU A 352 89.020 17.786 -5.008 1.00 0.00 H new ATOM 0 HB3 LEU A 352 89.898 19.252 -4.619 1.00 0.00 H new ATOM 0 HG LEU A 352 91.117 16.617 -5.575 1.00 0.00 H new ATOM 0 HD11 LEU A 352 91.791 17.985 -7.531 1.00 0.00 H new ATOM 0 HD12 LEU A 352 90.022 17.982 -7.333 1.00 0.00 H new ATOM 0 HD13 LEU A 352 90.973 19.399 -6.825 1.00 0.00 H new ATOM 0 HD21 LEU A 352 93.275 17.841 -5.524 1.00 0.00 H new ATOM 0 HD22 LEU A 352 92.457 19.256 -4.819 1.00 0.00 H new ATOM 0 HD23 LEU A 352 92.562 17.737 -3.897 1.00 0.00 H new ATOM 451 N SER A 353 88.023 16.730 -2.557 1.00 0.00 N ATOM 452 CA SER A 353 86.745 16.715 -1.852 1.00 0.00 C ATOM 453 C SER A 353 86.146 15.313 -1.833 1.00 0.00 C ATOM 454 O SER A 353 86.687 14.386 -2.435 1.00 0.00 O ATOM 455 CB SER A 353 85.766 17.676 -2.527 1.00 0.00 C ATOM 456 OG SER A 353 85.453 17.192 -3.826 1.00 0.00 O ATOM 0 H SER A 353 88.192 15.920 -3.153 1.00 0.00 H new ATOM 0 HA SER A 353 86.923 17.031 -0.824 1.00 0.00 H new ATOM 0 HB2 SER A 353 84.858 17.766 -1.931 1.00 0.00 H new ATOM 0 HB3 SER A 353 86.204 18.672 -2.593 1.00 0.00 H new ATOM 0 HG SER A 353 85.051 17.912 -4.355 1.00 0.00 H new ATOM 462 N SER A 354 85.021 15.171 -1.134 1.00 0.00 N ATOM 463 CA SER A 354 84.337 13.883 -1.031 1.00 0.00 C ATOM 464 C SER A 354 82.827 14.096 -0.972 1.00 0.00 C ATOM 465 O SER A 354 82.356 15.083 -0.408 1.00 0.00 O ATOM 466 CB SER A 354 84.799 13.146 0.227 1.00 0.00 C ATOM 467 OG SER A 354 84.110 13.666 1.357 1.00 0.00 O ATOM 0 H SER A 354 84.564 15.932 -0.631 1.00 0.00 H new ATOM 0 HA SER A 354 84.581 13.285 -1.909 1.00 0.00 H new ATOM 0 HB2 SER A 354 84.605 12.078 0.128 1.00 0.00 H new ATOM 0 HB3 SER A 354 85.875 13.264 0.357 1.00 0.00 H new ATOM 0 HG SER A 354 84.403 13.194 2.164 1.00 0.00 H new ATOM 473 N SER A 355 82.076 13.158 -1.546 1.00 0.00 N ATOM 474 CA SER A 355 80.617 13.243 -1.550 1.00 0.00 C ATOM 475 C SER A 355 80.023 11.984 -2.181 1.00 0.00 C ATOM 476 O SER A 355 80.718 10.986 -2.364 1.00 0.00 O ATOM 477 CB SER A 355 80.153 14.477 -2.332 1.00 0.00 C ATOM 478 OG SER A 355 78.816 14.789 -1.962 1.00 0.00 O ATOM 0 H SER A 355 82.452 12.333 -2.013 1.00 0.00 H new ATOM 0 HA SER A 355 80.273 13.329 -0.519 1.00 0.00 H new ATOM 0 HB2 SER A 355 80.808 15.323 -2.122 1.00 0.00 H new ATOM 0 HB3 SER A 355 80.212 14.287 -3.404 1.00 0.00 H new ATOM 0 HG SER A 355 78.515 15.579 -2.458 1.00 0.00 H new ATOM 484 N SER A 356 78.731 12.035 -2.505 1.00 0.00 N ATOM 485 CA SER A 356 78.050 10.886 -3.111 1.00 0.00 C ATOM 486 C SER A 356 77.134 11.331 -4.248 1.00 0.00 C ATOM 487 O SER A 356 75.932 11.066 -4.229 1.00 0.00 O ATOM 488 CB SER A 356 77.226 10.157 -2.052 1.00 0.00 C ATOM 489 OG SER A 356 76.051 10.907 -1.771 1.00 0.00 O ATOM 0 H SER A 356 78.137 12.852 -2.360 1.00 0.00 H new ATOM 0 HA SER A 356 78.808 10.216 -3.517 1.00 0.00 H new ATOM 0 HB2 SER A 356 76.959 9.161 -2.405 1.00 0.00 H new ATOM 0 HB3 SER A 356 77.814 10.027 -1.143 1.00 0.00 H new ATOM 0 HG SER A 356 75.464 10.902 -2.556 1.00 0.00 H new ATOM 495 N ASN A 357 77.710 12.010 -5.238 1.00 0.00 N ATOM 496 CA ASN A 357 76.932 12.487 -6.379 1.00 0.00 C ATOM 497 C ASN A 357 77.814 12.642 -7.615 1.00 0.00 C ATOM 498 O ASN A 357 78.929 13.152 -7.536 1.00 0.00 O ATOM 499 CB ASN A 357 76.287 13.832 -6.041 1.00 0.00 C ATOM 500 CG ASN A 357 75.420 13.696 -4.795 1.00 0.00 C ATOM 501 OD1 ASN A 357 75.855 14.034 -3.694 1.00 0.00 O ATOM 502 ND2 ASN A 357 74.209 13.219 -4.903 1.00 0.00 N ATOM 0 H ASN A 357 78.703 12.241 -5.274 1.00 0.00 H new ATOM 0 HA ASN A 357 76.158 11.751 -6.595 1.00 0.00 H new ATOM 0 HB2 ASN A 357 77.059 14.584 -5.877 1.00 0.00 H new ATOM 0 HB3 ASN A 357 75.681 14.175 -6.880 1.00 0.00 H new ATOM 0 HD21 ASN A 357 73.622 13.126 -4.074 1.00 0.00 H new ATOM 0 HD22 ASN A 357 73.850 12.940 -5.816 1.00 0.00 H new ATOM 509 N TYR A 358 77.304 12.193 -8.759 1.00 0.00 N ATOM 510 CA TYR A 358 78.049 12.283 -10.015 1.00 0.00 C ATOM 511 C TYR A 358 77.783 13.618 -10.707 1.00 0.00 C ATOM 512 O TYR A 358 78.686 14.440 -10.857 1.00 0.00 O ATOM 513 CB TYR A 358 77.648 11.134 -10.945 1.00 0.00 C ATOM 514 CG TYR A 358 78.360 11.285 -12.271 1.00 0.00 C ATOM 515 CD1 TYR A 358 79.733 11.016 -12.364 1.00 0.00 C ATOM 516 CD2 TYR A 358 77.651 11.695 -13.407 1.00 0.00 C ATOM 517 CE1 TYR A 358 80.392 11.158 -13.591 1.00 0.00 C ATOM 518 CE2 TYR A 358 78.311 11.836 -14.633 1.00 0.00 C ATOM 519 CZ TYR A 358 79.681 11.568 -14.725 1.00 0.00 C ATOM 520 OH TYR A 358 80.332 11.708 -15.933 1.00 0.00 O ATOM 0 H TYR A 358 76.382 11.765 -8.844 1.00 0.00 H new ATOM 0 HA TYR A 358 79.113 12.213 -9.788 1.00 0.00 H new ATOM 0 HB2 TYR A 358 77.904 10.177 -10.490 1.00 0.00 H new ATOM 0 HB3 TYR A 358 76.569 11.136 -11.098 1.00 0.00 H new ATOM 0 HD1 TYR A 358 80.282 10.699 -11.489 1.00 0.00 H new ATOM 0 HD2 TYR A 358 76.593 11.903 -13.337 1.00 0.00 H new ATOM 0 HE1 TYR A 358 81.450 10.951 -13.663 1.00 0.00 H new ATOM 0 HE2 TYR A 358 77.763 12.152 -15.508 1.00 0.00 H new ATOM 0 HH TYR A 358 79.693 11.998 -16.617 1.00 0.00 H new ATOM 530 N ASP A 359 76.541 13.821 -11.131 1.00 0.00 N ATOM 531 CA ASP A 359 76.168 15.056 -11.813 1.00 0.00 C ATOM 532 C ASP A 359 76.467 16.274 -10.943 1.00 0.00 C ATOM 533 O ASP A 359 77.195 17.177 -11.354 1.00 0.00 O ATOM 534 CB ASP A 359 74.678 15.029 -12.158 1.00 0.00 C ATOM 535 CG ASP A 359 74.417 14.006 -13.259 1.00 0.00 C ATOM 536 OD1 ASP A 359 75.242 13.900 -14.151 1.00 0.00 O ATOM 537 OD2 ASP A 359 73.395 13.342 -13.192 1.00 0.00 O ATOM 0 H ASP A 359 75.780 13.152 -11.016 1.00 0.00 H new ATOM 0 HA ASP A 359 76.757 15.130 -12.727 1.00 0.00 H new ATOM 0 HB2 ASP A 359 74.095 14.778 -11.272 1.00 0.00 H new ATOM 0 HB3 ASP A 359 74.354 16.017 -12.484 1.00 0.00 H new ATOM 542 N ASN A 360 75.896 16.297 -9.743 1.00 0.00 N ATOM 543 CA ASN A 360 76.104 17.415 -8.829 1.00 0.00 C ATOM 544 C ASN A 360 77.592 17.717 -8.663 1.00 0.00 C ATOM 545 O ASN A 360 77.989 18.877 -8.556 1.00 0.00 O ATOM 546 CB ASN A 360 75.487 17.097 -7.464 1.00 0.00 C ATOM 547 CG ASN A 360 74.141 16.405 -7.651 1.00 0.00 C ATOM 548 OD1 ASN A 360 74.057 15.382 -8.330 1.00 0.00 O ATOM 549 ND2 ASN A 360 73.077 16.904 -7.084 1.00 0.00 N ATOM 0 H ASN A 360 75.290 15.560 -9.382 1.00 0.00 H new ATOM 0 HA ASN A 360 75.618 18.294 -9.252 1.00 0.00 H new ATOM 0 HB2 ASN A 360 76.159 16.457 -6.892 1.00 0.00 H new ATOM 0 HB3 ASN A 360 75.357 18.015 -6.891 1.00 0.00 H new ATOM 0 HD21 ASN A 360 72.173 16.446 -7.203 1.00 0.00 H new ATOM 0 HD22 ASN A 360 73.149 17.752 -6.522 1.00 0.00 H new ATOM 556 N LEU A 361 78.410 16.670 -8.639 1.00 0.00 N ATOM 557 CA LEU A 361 79.851 16.846 -8.483 1.00 0.00 C ATOM 558 C LEU A 361 80.432 17.515 -9.721 1.00 0.00 C ATOM 559 O LEU A 361 81.151 18.509 -9.620 1.00 0.00 O ATOM 560 CB LEU A 361 80.515 15.481 -8.230 1.00 0.00 C ATOM 561 CG LEU A 361 82.060 15.579 -8.196 1.00 0.00 C ATOM 562 CD1 LEU A 361 82.657 15.736 -9.617 1.00 0.00 C ATOM 563 CD2 LEU A 361 82.495 16.756 -7.307 1.00 0.00 C ATOM 0 H LEU A 361 78.105 15.700 -8.724 1.00 0.00 H new ATOM 0 HA LEU A 361 80.048 17.490 -7.626 1.00 0.00 H new ATOM 0 HB2 LEU A 361 80.158 15.075 -7.284 1.00 0.00 H new ATOM 0 HB3 LEU A 361 80.214 14.782 -9.011 1.00 0.00 H new ATOM 0 HG LEU A 361 82.442 14.648 -7.778 1.00 0.00 H new ATOM 0 HD11 LEU A 361 83.743 15.801 -9.550 1.00 0.00 H new ATOM 0 HD12 LEU A 361 82.382 14.874 -10.224 1.00 0.00 H new ATOM 0 HD13 LEU A 361 82.267 16.644 -10.077 1.00 0.00 H new ATOM 0 HD21 LEU A 361 83.583 16.816 -7.290 1.00 0.00 H new ATOM 0 HD22 LEU A 361 82.087 17.684 -7.707 1.00 0.00 H new ATOM 0 HD23 LEU A 361 82.124 16.603 -6.294 1.00 0.00 H new ATOM 575 N ASN A 362 80.107 16.984 -10.895 1.00 0.00 N ATOM 576 CA ASN A 362 80.603 17.566 -12.138 1.00 0.00 C ATOM 577 C ASN A 362 80.448 19.084 -12.101 1.00 0.00 C ATOM 578 O ASN A 362 81.353 19.822 -12.492 1.00 0.00 O ATOM 579 CB ASN A 362 79.828 16.992 -13.327 1.00 0.00 C ATOM 580 CG ASN A 362 80.287 15.566 -13.613 1.00 0.00 C ATOM 581 OD1 ASN A 362 80.008 14.655 -12.833 1.00 0.00 O ATOM 582 ND2 ASN A 362 80.976 15.316 -14.693 1.00 0.00 N ATOM 0 H ASN A 362 79.512 16.164 -11.013 1.00 0.00 H new ATOM 0 HA ASN A 362 81.659 17.320 -12.249 1.00 0.00 H new ATOM 0 HB2 ASN A 362 78.759 17.002 -13.113 1.00 0.00 H new ATOM 0 HB3 ASN A 362 79.983 17.616 -14.207 1.00 0.00 H new ATOM 0 HD21 ASN A 362 81.284 14.364 -14.892 1.00 0.00 H new ATOM 0 HD22 ASN A 362 81.206 16.072 -15.338 1.00 0.00 H new ATOM 589 N GLY A 363 79.293 19.539 -11.625 1.00 0.00 N ATOM 590 CA GLY A 363 79.020 20.969 -11.534 1.00 0.00 C ATOM 591 C GLY A 363 80.011 21.662 -10.604 1.00 0.00 C ATOM 592 O GLY A 363 80.604 22.678 -10.964 1.00 0.00 O ATOM 0 H GLY A 363 78.534 18.941 -11.298 1.00 0.00 H new ATOM 0 HA2 GLY A 363 79.075 21.416 -12.527 1.00 0.00 H new ATOM 0 HA3 GLY A 363 78.005 21.126 -11.170 1.00 0.00 H new ATOM 596 N TRP A 364 80.184 21.118 -9.403 1.00 0.00 N ATOM 597 CA TRP A 364 81.103 21.710 -8.437 1.00 0.00 C ATOM 598 C TRP A 364 82.491 21.881 -9.043 1.00 0.00 C ATOM 599 O TRP A 364 83.007 22.994 -9.134 1.00 0.00 O ATOM 600 CB TRP A 364 81.203 20.829 -7.187 1.00 0.00 C ATOM 601 CG TRP A 364 82.132 21.476 -6.210 1.00 0.00 C ATOM 602 CD1 TRP A 364 81.915 22.670 -5.614 1.00 0.00 C ATOM 603 CD2 TRP A 364 83.418 20.996 -5.713 1.00 0.00 C ATOM 604 NE1 TRP A 364 82.987 22.956 -4.783 1.00 0.00 N ATOM 605 CE2 TRP A 364 83.937 21.956 -4.812 1.00 0.00 C ATOM 606 CE3 TRP A 364 84.178 19.835 -5.954 1.00 0.00 C ATOM 607 CZ2 TRP A 364 85.164 21.772 -4.174 1.00 0.00 C ATOM 608 CZ3 TRP A 364 85.413 19.650 -5.313 1.00 0.00 C ATOM 609 CH2 TRP A 364 85.904 20.616 -4.427 1.00 0.00 C ATOM 0 H TRP A 364 79.706 20.278 -9.078 1.00 0.00 H new ATOM 0 HA TRP A 364 80.713 22.690 -8.162 1.00 0.00 H new ATOM 0 HB2 TRP A 364 80.218 20.697 -6.739 1.00 0.00 H new ATOM 0 HB3 TRP A 364 81.568 19.837 -7.453 1.00 0.00 H new ATOM 0 HD1 TRP A 364 81.049 23.298 -5.761 1.00 0.00 H new ATOM 0 HE1 TRP A 364 83.064 23.802 -4.219 1.00 0.00 H new ATOM 0 HE3 TRP A 364 83.809 19.083 -6.636 1.00 0.00 H new ATOM 0 HZ2 TRP A 364 85.538 22.519 -3.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 364 85.988 18.756 -5.505 1.00 0.00 H new ATOM 0 HH2 TRP A 364 86.856 20.467 -3.939 1.00 0.00 H new ATOM 620 N ALA A 365 83.093 20.768 -9.450 1.00 0.00 N ATOM 621 CA ALA A 365 84.428 20.800 -10.041 1.00 0.00 C ATOM 622 C ALA A 365 84.565 21.963 -11.022 1.00 0.00 C ATOM 623 O ALA A 365 85.638 22.549 -11.156 1.00 0.00 O ATOM 624 CB ALA A 365 84.705 19.485 -10.769 1.00 0.00 C ATOM 0 H ALA A 365 82.681 19.837 -9.382 1.00 0.00 H new ATOM 0 HA ALA A 365 85.152 20.936 -9.238 1.00 0.00 H new ATOM 0 HB1 ALA A 365 85.702 19.515 -11.208 1.00 0.00 H new ATOM 0 HB2 ALA A 365 84.644 18.658 -10.062 1.00 0.00 H new ATOM 0 HB3 ALA A 365 83.966 19.343 -11.557 1.00 0.00 H new ATOM 630 N LYS A 366 83.470 22.294 -11.700 1.00 0.00 N ATOM 631 CA LYS A 366 83.484 23.393 -12.660 1.00 0.00 C ATOM 632 C LYS A 366 83.376 24.726 -11.929 1.00 0.00 C ATOM 633 O LYS A 366 83.929 25.734 -12.369 1.00 0.00 O ATOM 634 CB LYS A 366 82.319 23.250 -13.648 1.00 0.00 C ATOM 635 CG LYS A 366 82.443 21.927 -14.425 1.00 0.00 C ATOM 636 CD LYS A 366 83.405 22.091 -15.609 1.00 0.00 C ATOM 637 CE LYS A 366 83.375 20.827 -16.468 1.00 0.00 C ATOM 638 NZ LYS A 366 84.473 20.882 -17.474 1.00 0.00 N ATOM 0 H LYS A 366 82.571 21.823 -11.604 1.00 0.00 H new ATOM 0 HA LYS A 366 84.423 23.361 -13.212 1.00 0.00 H new ATOM 0 HB2 LYS A 366 81.371 23.278 -13.111 1.00 0.00 H new ATOM 0 HB3 LYS A 366 82.316 24.090 -14.343 1.00 0.00 H new ATOM 0 HG2 LYS A 366 82.803 21.141 -13.762 1.00 0.00 H new ATOM 0 HG3 LYS A 366 81.462 21.616 -14.785 1.00 0.00 H new ATOM 0 HD2 LYS A 366 83.119 22.957 -16.207 1.00 0.00 H new ATOM 0 HD3 LYS A 366 84.417 22.274 -15.247 1.00 0.00 H new ATOM 0 HE2 LYS A 366 83.488 19.944 -15.839 1.00 0.00 H new ATOM 0 HE3 LYS A 366 82.412 20.739 -16.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 366 84.452 20.022 -18.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 366 84.346 21.716 -18.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 366 85.389 20.946 -16.985 1.00 0.00 H new ATOM 652 N LYS A 367 82.664 24.718 -10.807 1.00 0.00 N ATOM 653 CA LYS A 367 82.494 25.929 -10.014 1.00 0.00 C ATOM 654 C LYS A 367 83.840 26.404 -9.478 1.00 0.00 C ATOM 655 O LYS A 367 84.176 27.585 -9.572 1.00 0.00 O ATOM 656 CB LYS A 367 81.542 25.656 -8.847 1.00 0.00 C ATOM 657 CG LYS A 367 81.132 26.979 -8.196 1.00 0.00 C ATOM 658 CD LYS A 367 80.038 26.716 -7.158 1.00 0.00 C ATOM 659 CE LYS A 367 79.844 27.962 -6.293 1.00 0.00 C ATOM 660 NZ LYS A 367 78.687 27.756 -5.377 1.00 0.00 N ATOM 0 H LYS A 367 82.199 23.893 -10.429 1.00 0.00 H new ATOM 0 HA LYS A 367 82.073 26.708 -10.650 1.00 0.00 H new ATOM 0 HB2 LYS A 367 80.659 25.125 -9.202 1.00 0.00 H new ATOM 0 HB3 LYS A 367 82.027 25.013 -8.112 1.00 0.00 H new ATOM 0 HG2 LYS A 367 81.995 27.446 -7.721 1.00 0.00 H new ATOM 0 HG3 LYS A 367 80.770 27.674 -8.954 1.00 0.00 H new ATOM 0 HD2 LYS A 367 79.104 26.458 -7.656 1.00 0.00 H new ATOM 0 HD3 LYS A 367 80.312 25.866 -6.533 1.00 0.00 H new ATOM 0 HE2 LYS A 367 80.747 28.161 -5.716 1.00 0.00 H new ATOM 0 HE3 LYS A 367 79.671 28.833 -6.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 367 78.555 28.603 -4.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 367 77.827 27.586 -5.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 367 78.870 26.935 -4.765 1.00 0.00 H new ATOM 674 N GLU A 368 84.609 25.473 -8.922 1.00 0.00 N ATOM 675 CA GLU A 368 85.923 25.803 -8.377 1.00 0.00 C ATOM 676 C GLU A 368 86.960 25.859 -9.494 1.00 0.00 C ATOM 677 O GLU A 368 88.075 26.344 -9.296 1.00 0.00 O ATOM 678 CB GLU A 368 86.339 24.752 -7.345 1.00 0.00 C ATOM 679 CG GLU A 368 85.482 24.903 -6.088 1.00 0.00 C ATOM 680 CD GLU A 368 85.914 26.140 -5.308 1.00 0.00 C ATOM 681 OE1 GLU A 368 87.097 26.440 -5.318 1.00 0.00 O ATOM 682 OE2 GLU A 368 85.056 26.769 -4.712 1.00 0.00 O ATOM 0 H GLU A 368 84.348 24.491 -8.837 1.00 0.00 H new ATOM 0 HA GLU A 368 85.865 26.779 -7.896 1.00 0.00 H new ATOM 0 HB2 GLU A 368 86.220 23.752 -7.761 1.00 0.00 H new ATOM 0 HB3 GLU A 368 87.393 24.870 -7.095 1.00 0.00 H new ATOM 0 HG2 GLU A 368 84.430 24.985 -6.363 1.00 0.00 H new ATOM 0 HG3 GLU A 368 85.580 24.016 -5.462 1.00 0.00 H new ATOM 689 N ASN A 369 86.582 25.361 -10.667 1.00 0.00 N ATOM 690 CA ASN A 369 87.484 25.358 -11.813 1.00 0.00 C ATOM 691 C ASN A 369 88.732 24.532 -11.519 1.00 0.00 C ATOM 692 O ASN A 369 89.853 24.978 -11.760 1.00 0.00 O ATOM 693 CB ASN A 369 87.890 26.792 -12.163 1.00 0.00 C ATOM 694 CG ASN A 369 88.505 26.837 -13.557 1.00 0.00 C ATOM 695 OD1 ASN A 369 88.756 25.793 -14.160 1.00 0.00 O ATOM 696 ND2 ASN A 369 88.766 27.991 -14.110 1.00 0.00 N ATOM 0 H ASN A 369 85.663 24.957 -10.848 1.00 0.00 H new ATOM 0 HA ASN A 369 86.960 24.911 -12.658 1.00 0.00 H new ATOM 0 HB2 ASN A 369 87.019 27.446 -12.120 1.00 0.00 H new ATOM 0 HB3 ASN A 369 88.605 27.165 -11.430 1.00 0.00 H new ATOM 0 HD21 ASN A 369 89.178 28.028 -15.042 1.00 0.00 H new ATOM 0 HD22 ASN A 369 88.558 28.855 -13.610 1.00 0.00 H new ATOM 703 N LEU A 370 88.531 23.325 -10.998 1.00 0.00 N ATOM 704 CA LEU A 370 89.653 22.449 -10.680 1.00 0.00 C ATOM 705 C LEU A 370 90.523 22.241 -11.916 1.00 0.00 C ATOM 706 O LEU A 370 90.050 21.760 -12.945 1.00 0.00 O ATOM 707 CB LEU A 370 89.144 21.094 -10.177 1.00 0.00 C ATOM 708 CG LEU A 370 88.079 21.299 -9.092 1.00 0.00 C ATOM 709 CD1 LEU A 370 87.517 19.938 -8.671 1.00 0.00 C ATOM 710 CD2 LEU A 370 88.704 21.992 -7.875 1.00 0.00 C ATOM 0 H LEU A 370 87.612 22.935 -10.789 1.00 0.00 H new ATOM 0 HA LEU A 370 90.248 22.919 -9.897 1.00 0.00 H new ATOM 0 HB2 LEU A 370 88.724 20.524 -11.006 1.00 0.00 H new ATOM 0 HB3 LEU A 370 89.974 20.511 -9.777 1.00 0.00 H new ATOM 0 HG LEU A 370 87.276 21.922 -9.487 1.00 0.00 H new ATOM 0 HD11 LEU A 370 86.760 20.080 -7.900 1.00 0.00 H new ATOM 0 HD12 LEU A 370 87.068 19.447 -9.534 1.00 0.00 H new ATOM 0 HD13 LEU A 370 88.323 19.317 -8.279 1.00 0.00 H new ATOM 0 HD21 LEU A 370 87.943 22.135 -7.107 1.00 0.00 H new ATOM 0 HD22 LEU A 370 89.509 21.373 -7.478 1.00 0.00 H new ATOM 0 HD23 LEU A 370 89.105 22.961 -8.174 1.00 0.00 H new ATOM 722 N LYS A 371 91.796 22.611 -11.809 1.00 0.00 N ATOM 723 CA LYS A 371 92.722 22.463 -12.925 1.00 0.00 C ATOM 724 C LYS A 371 92.859 20.997 -13.314 1.00 0.00 C ATOM 725 O LYS A 371 91.969 20.196 -13.042 1.00 0.00 O ATOM 726 CB LYS A 371 94.096 23.022 -12.546 1.00 0.00 C ATOM 727 CG LYS A 371 93.930 24.371 -11.839 1.00 0.00 C ATOM 728 CD LYS A 371 93.086 25.310 -12.707 1.00 0.00 C ATOM 729 CE LYS A 371 93.263 26.753 -12.226 1.00 0.00 C ATOM 730 NZ LYS A 371 92.972 26.829 -10.767 1.00 0.00 N ATOM 0 H LYS A 371 92.207 23.013 -10.966 1.00 0.00 H new ATOM 0 HA LYS A 371 92.327 23.019 -13.775 1.00 0.00 H new ATOM 0 HB2 LYS A 371 94.617 22.321 -11.894 1.00 0.00 H new ATOM 0 HB3 LYS A 371 94.709 23.142 -13.439 1.00 0.00 H new ATOM 0 HG2 LYS A 371 93.452 24.228 -10.870 1.00 0.00 H new ATOM 0 HG3 LYS A 371 94.907 24.816 -11.650 1.00 0.00 H new ATOM 0 HD2 LYS A 371 93.387 25.225 -13.751 1.00 0.00 H new ATOM 0 HD3 LYS A 371 92.035 25.025 -12.654 1.00 0.00 H new ATOM 0 HE2 LYS A 371 94.280 27.091 -12.423 1.00 0.00 H new ATOM 0 HE3 LYS A 371 92.595 27.416 -12.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 371 92.791 27.818 -10.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 371 92.134 26.253 -10.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 371 93.788 26.469 -10.231 1.00 0.00 H new ATOM 744 N ASN A 372 93.982 20.661 -13.952 1.00 0.00 N ATOM 745 CA ASN A 372 94.248 19.289 -14.392 1.00 0.00 C ATOM 746 C ASN A 372 93.626 18.257 -13.452 1.00 0.00 C ATOM 747 O ASN A 372 94.064 18.096 -12.312 1.00 0.00 O ATOM 748 CB ASN A 372 95.758 19.056 -14.470 1.00 0.00 C ATOM 749 CG ASN A 372 96.421 19.508 -13.173 1.00 0.00 C ATOM 750 OD1 ASN A 372 97.643 19.426 -13.039 1.00 0.00 O ATOM 751 ND2 ASN A 372 95.687 19.983 -12.206 1.00 0.00 N ATOM 0 H ASN A 372 94.725 21.323 -14.176 1.00 0.00 H new ATOM 0 HA ASN A 372 93.795 19.165 -15.375 1.00 0.00 H new ATOM 0 HB2 ASN A 372 95.963 18.000 -14.645 1.00 0.00 H new ATOM 0 HB3 ASN A 372 96.176 19.606 -15.313 1.00 0.00 H new ATOM 0 HD21 ASN A 372 96.124 20.288 -11.336 1.00 0.00 H new ATOM 0 HD22 ASN A 372 94.676 20.050 -12.319 1.00 0.00 H new ATOM 758 N TYR A 373 92.605 17.561 -13.942 1.00 0.00 N ATOM 759 CA TYR A 373 91.929 16.544 -13.147 1.00 0.00 C ATOM 760 C TYR A 373 91.028 15.681 -14.031 1.00 0.00 C ATOM 761 O TYR A 373 90.707 16.058 -15.159 1.00 0.00 O ATOM 762 CB TYR A 373 91.114 17.208 -12.020 1.00 0.00 C ATOM 763 CG TYR A 373 89.760 17.681 -12.527 1.00 0.00 C ATOM 764 CD1 TYR A 373 89.675 18.496 -13.664 1.00 0.00 C ATOM 765 CD2 TYR A 373 88.591 17.312 -11.847 1.00 0.00 C ATOM 766 CE1 TYR A 373 88.429 18.937 -14.120 1.00 0.00 C ATOM 767 CE2 TYR A 373 87.344 17.752 -12.306 1.00 0.00 C ATOM 768 CZ TYR A 373 87.263 18.565 -13.443 1.00 0.00 C ATOM 769 OH TYR A 373 86.033 19.001 -13.894 1.00 0.00 O ATOM 0 H TYR A 373 92.229 17.683 -14.882 1.00 0.00 H new ATOM 0 HA TYR A 373 92.680 15.896 -12.696 1.00 0.00 H new ATOM 0 HB2 TYR A 373 90.973 16.500 -11.204 1.00 0.00 H new ATOM 0 HB3 TYR A 373 91.670 18.054 -11.615 1.00 0.00 H new ATOM 0 HD1 TYR A 373 90.574 18.784 -14.189 1.00 0.00 H new ATOM 0 HD2 TYR A 373 88.653 16.688 -10.968 1.00 0.00 H new ATOM 0 HE1 TYR A 373 88.367 19.566 -14.996 1.00 0.00 H new ATOM 0 HE2 TYR A 373 86.444 17.464 -11.783 1.00 0.00 H new ATOM 0 HH TYR A 373 85.328 18.651 -13.310 1.00 0.00 H new ATOM 779 N VAL A 374 90.629 14.521 -13.515 1.00 0.00 N ATOM 780 CA VAL A 374 89.768 13.605 -14.266 1.00 0.00 C ATOM 781 C VAL A 374 88.759 12.932 -13.341 1.00 0.00 C ATOM 782 O VAL A 374 89.128 12.374 -12.307 1.00 0.00 O ATOM 783 CB VAL A 374 90.623 12.536 -14.949 1.00 0.00 C ATOM 784 CG1 VAL A 374 89.781 11.793 -15.988 1.00 0.00 C ATOM 785 CG2 VAL A 374 91.814 13.201 -15.641 1.00 0.00 C ATOM 0 H VAL A 374 90.886 14.192 -12.584 1.00 0.00 H new ATOM 0 HA VAL A 374 89.226 14.179 -15.017 1.00 0.00 H new ATOM 0 HB VAL A 374 90.984 11.829 -14.202 1.00 0.00 H new ATOM 0 HG11 VAL A 374 90.391 11.032 -16.474 1.00 0.00 H new ATOM 0 HG12 VAL A 374 88.932 11.318 -15.496 1.00 0.00 H new ATOM 0 HG13 VAL A 374 89.419 12.499 -16.735 1.00 0.00 H new ATOM 0 HG21 VAL A 374 92.424 12.440 -16.128 1.00 0.00 H new ATOM 0 HG22 VAL A 374 91.453 13.908 -16.387 1.00 0.00 H new ATOM 0 HG23 VAL A 374 92.416 13.729 -14.902 1.00 0.00 H new ATOM 795 N VAL A 375 87.485 12.983 -13.723 1.00 0.00 N ATOM 796 CA VAL A 375 86.428 12.370 -12.924 1.00 0.00 C ATOM 797 C VAL A 375 86.314 10.883 -13.250 1.00 0.00 C ATOM 798 O VAL A 375 86.238 10.497 -14.416 1.00 0.00 O ATOM 799 CB VAL A 375 85.087 13.066 -13.202 1.00 0.00 C ATOM 800 CG1 VAL A 375 85.039 14.407 -12.465 1.00 0.00 C ATOM 801 CG2 VAL A 375 84.935 13.309 -14.706 1.00 0.00 C ATOM 0 H VAL A 375 87.161 13.440 -14.576 1.00 0.00 H new ATOM 0 HA VAL A 375 86.678 12.483 -11.869 1.00 0.00 H new ATOM 0 HB VAL A 375 84.274 12.429 -12.852 1.00 0.00 H new ATOM 0 HG11 VAL A 375 84.086 14.898 -12.664 1.00 0.00 H new ATOM 0 HG12 VAL A 375 85.142 14.237 -11.393 1.00 0.00 H new ATOM 0 HG13 VAL A 375 85.854 15.042 -12.812 1.00 0.00 H new ATOM 0 HG21 VAL A 375 83.983 13.803 -14.900 1.00 0.00 H new ATOM 0 HG22 VAL A 375 85.750 13.942 -15.057 1.00 0.00 H new ATOM 0 HG23 VAL A 375 84.963 12.355 -15.233 1.00 0.00 H new ATOM 811 N TYR A 376 86.308 10.049 -12.211 1.00 0.00 N ATOM 812 CA TYR A 376 86.208 8.602 -12.402 1.00 0.00 C ATOM 813 C TYR A 376 85.474 7.952 -11.235 1.00 0.00 C ATOM 814 O TYR A 376 85.225 8.588 -10.210 1.00 0.00 O ATOM 815 CB TYR A 376 87.605 7.996 -12.539 1.00 0.00 C ATOM 816 CG TYR A 376 88.344 8.110 -11.224 1.00 0.00 C ATOM 817 CD1 TYR A 376 88.756 9.365 -10.757 1.00 0.00 C ATOM 818 CD2 TYR A 376 88.623 6.960 -10.473 1.00 0.00 C ATOM 819 CE1 TYR A 376 89.445 9.469 -9.543 1.00 0.00 C ATOM 820 CE2 TYR A 376 89.312 7.064 -9.260 1.00 0.00 C ATOM 821 CZ TYR A 376 89.724 8.319 -8.795 1.00 0.00 C ATOM 822 OH TYR A 376 90.404 8.422 -7.599 1.00 0.00 O ATOM 0 H TYR A 376 86.371 10.346 -11.237 1.00 0.00 H new ATOM 0 HA TYR A 376 85.642 8.414 -13.314 1.00 0.00 H new ATOM 0 HB2 TYR A 376 87.530 6.950 -12.835 1.00 0.00 H new ATOM 0 HB3 TYR A 376 88.159 8.510 -13.324 1.00 0.00 H new ATOM 0 HD1 TYR A 376 88.542 10.253 -11.334 1.00 0.00 H new ATOM 0 HD2 TYR A 376 88.306 5.992 -10.831 1.00 0.00 H new ATOM 0 HE1 TYR A 376 89.762 10.437 -9.183 1.00 0.00 H new ATOM 0 HE2 TYR A 376 89.526 6.177 -8.682 1.00 0.00 H new ATOM 0 HH TYR A 376 90.120 7.702 -6.998 1.00 0.00 H new ATOM 832 N GLU A 377 85.123 6.679 -11.405 1.00 0.00 N ATOM 833 CA GLU A 377 84.405 5.937 -10.371 1.00 0.00 C ATOM 834 C GLU A 377 85.370 5.205 -9.444 1.00 0.00 C ATOM 835 O GLU A 377 86.456 4.794 -9.853 1.00 0.00 O ATOM 836 CB GLU A 377 83.465 4.923 -11.024 1.00 0.00 C ATOM 837 CG GLU A 377 84.240 4.100 -12.053 1.00 0.00 C ATOM 838 CD GLU A 377 83.389 2.929 -12.533 1.00 0.00 C ATOM 839 OE1 GLU A 377 83.391 1.909 -11.865 1.00 0.00 O ATOM 840 OE2 GLU A 377 82.749 3.070 -13.562 1.00 0.00 O ATOM 0 H GLU A 377 85.324 6.140 -12.248 1.00 0.00 H new ATOM 0 HA GLU A 377 83.833 6.651 -9.779 1.00 0.00 H new ATOM 0 HB2 GLU A 377 83.037 4.267 -10.266 1.00 0.00 H new ATOM 0 HB3 GLU A 377 82.634 5.439 -11.506 1.00 0.00 H new ATOM 0 HG2 GLU A 377 84.518 4.729 -12.899 1.00 0.00 H new ATOM 0 HG3 GLU A 377 85.166 3.731 -11.612 1.00 0.00 H new ATOM 847 N THR A 378 84.953 5.043 -8.192 1.00 0.00 N ATOM 848 CA THR A 378 85.763 4.356 -7.193 1.00 0.00 C ATOM 849 C THR A 378 84.894 3.996 -5.993 1.00 0.00 C ATOM 850 O THR A 378 83.666 4.044 -6.078 1.00 0.00 O ATOM 851 CB THR A 378 86.935 5.237 -6.749 1.00 0.00 C ATOM 852 OG1 THR A 378 87.651 4.580 -5.712 1.00 0.00 O ATOM 853 CG2 THR A 378 86.413 6.580 -6.236 1.00 0.00 C ATOM 0 H THR A 378 84.055 5.380 -7.845 1.00 0.00 H new ATOM 0 HA THR A 378 86.168 3.445 -7.633 1.00 0.00 H new ATOM 0 HB THR A 378 87.595 5.412 -7.599 1.00 0.00 H new ATOM 0 HG1 THR A 378 88.403 5.141 -5.427 1.00 0.00 H new ATOM 0 HG21 THR A 378 87.252 7.201 -5.922 1.00 0.00 H new ATOM 0 HG22 THR A 378 85.865 7.085 -7.031 1.00 0.00 H new ATOM 0 HG23 THR A 378 85.749 6.412 -5.388 1.00 0.00 H new ATOM 861 N THR A 379 85.526 3.637 -4.874 1.00 0.00 N ATOM 862 CA THR A 379 84.786 3.275 -3.660 1.00 0.00 C ATOM 863 C THR A 379 85.230 4.140 -2.487 1.00 0.00 C ATOM 864 O THR A 379 86.344 4.664 -2.474 1.00 0.00 O ATOM 865 CB THR A 379 85.029 1.803 -3.322 1.00 0.00 C ATOM 866 OG1 THR A 379 86.319 1.659 -2.742 1.00 0.00 O ATOM 867 CG2 THR A 379 84.945 0.963 -4.597 1.00 0.00 C ATOM 0 H THR A 379 86.541 3.589 -4.781 1.00 0.00 H new ATOM 0 HA THR A 379 83.724 3.439 -3.842 1.00 0.00 H new ATOM 0 HB THR A 379 84.272 1.463 -2.616 1.00 0.00 H new ATOM 0 HG1 THR A 379 86.476 0.717 -2.523 1.00 0.00 H new ATOM 0 HG21 THR A 379 85.118 -0.085 -4.354 1.00 0.00 H new ATOM 0 HG22 THR A 379 83.956 1.074 -5.041 1.00 0.00 H new ATOM 0 HG23 THR A 379 85.701 1.301 -5.306 1.00 0.00 H new ATOM 875 N ARG A 380 84.352 4.282 -1.499 1.00 0.00 N ATOM 876 CA ARG A 380 84.664 5.083 -0.322 1.00 0.00 C ATOM 877 C ARG A 380 83.571 4.930 0.732 1.00 0.00 C ATOM 878 O ARG A 380 82.466 5.448 0.572 1.00 0.00 O ATOM 879 CB ARG A 380 84.802 6.559 -0.714 1.00 0.00 C ATOM 880 CG ARG A 380 85.551 7.313 0.387 1.00 0.00 C ATOM 881 CD ARG A 380 85.685 8.786 0.001 1.00 0.00 C ATOM 882 NE ARG A 380 86.229 9.553 1.116 1.00 0.00 N ATOM 883 CZ ARG A 380 85.501 9.797 2.201 1.00 0.00 C ATOM 884 NH1 ARG A 380 84.278 9.351 2.280 1.00 0.00 N ATOM 885 NH2 ARG A 380 86.010 10.485 3.186 1.00 0.00 N ATOM 0 H ARG A 380 83.425 3.856 -1.490 1.00 0.00 H new ATOM 0 HA ARG A 380 85.607 4.732 0.096 1.00 0.00 H new ATOM 0 HB2 ARG A 380 85.339 6.646 -1.659 1.00 0.00 H new ATOM 0 HB3 ARG A 380 83.817 7.000 -0.865 1.00 0.00 H new ATOM 0 HG2 ARG A 380 85.016 7.222 1.332 1.00 0.00 H new ATOM 0 HG3 ARG A 380 86.538 6.874 0.535 1.00 0.00 H new ATOM 0 HD2 ARG A 380 86.335 8.884 -0.868 1.00 0.00 H new ATOM 0 HD3 ARG A 380 84.711 9.185 -0.283 1.00 0.00 H new ATOM 0 HE ARG A 380 87.184 9.908 1.062 1.00 0.00 H new ATOM 0 HH11 ARG A 380 83.880 8.815 1.509 1.00 0.00 H new ATOM 0 HH12 ARG A 380 83.720 9.538 3.113 1.00 0.00 H new ATOM 0 HH21 ARG A 380 86.966 10.835 3.123 1.00 0.00 H new ATOM 0 HH22 ARG A 380 85.452 10.673 4.019 1.00 0.00 H new ATOM 899 N ASN A 381 83.885 4.213 1.806 1.00 0.00 N ATOM 900 CA ASN A 381 82.919 3.997 2.876 1.00 0.00 C ATOM 901 C ASN A 381 81.691 3.262 2.346 1.00 0.00 C ATOM 902 O ASN A 381 80.578 3.786 2.391 1.00 0.00 O ATOM 903 CB ASN A 381 82.494 5.339 3.476 1.00 0.00 C ATOM 904 CG ASN A 381 83.716 6.229 3.680 1.00 0.00 C ATOM 905 OD1 ASN A 381 84.849 5.760 3.582 1.00 0.00 O ATOM 906 ND2 ASN A 381 83.551 7.494 3.960 1.00 0.00 N ATOM 0 H ASN A 381 84.794 3.775 1.958 1.00 0.00 H new ATOM 0 HA ASN A 381 83.389 3.388 3.648 1.00 0.00 H new ATOM 0 HB2 ASN A 381 81.781 5.832 2.816 1.00 0.00 H new ATOM 0 HB3 ASN A 381 81.988 5.177 4.428 1.00 0.00 H new ATOM 0 HD21 ASN A 381 84.363 8.096 4.098 1.00 0.00 H new ATOM 0 HD22 ASN A 381 82.610 7.880 4.041 1.00 0.00 H new ATOM 913 N GLY A 382 81.908 2.041 1.854 1.00 0.00 N ATOM 914 CA GLY A 382 80.822 1.220 1.315 1.00 0.00 C ATOM 915 C GLY A 382 79.763 2.075 0.620 1.00 0.00 C ATOM 916 O GLY A 382 78.566 1.814 0.736 1.00 0.00 O ATOM 0 H GLY A 382 82.826 1.599 1.818 1.00 0.00 H new ATOM 0 HA2 GLY A 382 81.228 0.497 0.608 1.00 0.00 H new ATOM 0 HA3 GLY A 382 80.360 0.652 2.122 1.00 0.00 H new ATOM 920 N GLN A 383 80.217 3.102 -0.094 1.00 0.00 N ATOM 921 CA GLN A 383 79.307 4.003 -0.800 1.00 0.00 C ATOM 922 C GLN A 383 79.991 4.578 -2.050 1.00 0.00 C ATOM 923 O GLN A 383 80.850 5.453 -1.929 1.00 0.00 O ATOM 924 CB GLN A 383 78.913 5.154 0.129 1.00 0.00 C ATOM 925 CG GLN A 383 77.852 6.024 -0.548 1.00 0.00 C ATOM 926 CD GLN A 383 77.208 6.951 0.478 1.00 0.00 C ATOM 927 OE1 GLN A 383 77.882 7.800 1.059 1.00 0.00 O ATOM 928 NE2 GLN A 383 75.933 6.835 0.738 1.00 0.00 N ATOM 0 H GLN A 383 81.205 3.331 -0.200 1.00 0.00 H new ATOM 0 HA GLN A 383 78.421 3.445 -1.102 1.00 0.00 H new ATOM 0 HB2 GLN A 383 78.528 4.759 1.069 1.00 0.00 H new ATOM 0 HB3 GLN A 383 79.790 5.755 0.371 1.00 0.00 H new ATOM 0 HG2 GLN A 383 78.306 6.611 -1.347 1.00 0.00 H new ATOM 0 HG3 GLN A 383 77.092 5.393 -1.009 1.00 0.00 H new ATOM 0 HE21 GLN A 383 75.376 6.130 0.255 1.00 0.00 H new ATOM 0 HE22 GLN A 383 75.494 7.449 1.424 1.00 0.00 H new ATOM 937 N PRO A 384 79.649 4.121 -3.238 1.00 0.00 N ATOM 938 CA PRO A 384 80.279 4.631 -4.493 1.00 0.00 C ATOM 939 C PRO A 384 80.412 6.154 -4.496 1.00 0.00 C ATOM 940 O PRO A 384 79.478 6.872 -4.141 1.00 0.00 O ATOM 941 CB PRO A 384 79.326 4.147 -5.588 1.00 0.00 C ATOM 942 CG PRO A 384 78.747 2.880 -5.047 1.00 0.00 C ATOM 943 CD PRO A 384 78.639 3.081 -3.531 1.00 0.00 C ATOM 0 HA PRO A 384 81.299 4.270 -4.623 1.00 0.00 H new ATOM 0 HB2 PRO A 384 78.549 4.883 -5.792 1.00 0.00 H new ATOM 0 HB3 PRO A 384 79.854 3.973 -6.526 1.00 0.00 H new ATOM 0 HG2 PRO A 384 77.769 2.679 -5.485 1.00 0.00 H new ATOM 0 HG3 PRO A 384 79.384 2.027 -5.284 1.00 0.00 H new ATOM 0 HD2 PRO A 384 77.639 3.402 -3.241 1.00 0.00 H new ATOM 0 HD3 PRO A 384 78.847 2.158 -2.990 1.00 0.00 H new ATOM 951 N TRP A 385 81.586 6.634 -4.896 1.00 0.00 N ATOM 952 CA TRP A 385 81.848 8.069 -4.940 1.00 0.00 C ATOM 953 C TRP A 385 82.973 8.363 -5.935 1.00 0.00 C ATOM 954 O TRP A 385 83.768 7.484 -6.265 1.00 0.00 O ATOM 955 CB TRP A 385 82.225 8.561 -3.526 1.00 0.00 C ATOM 956 CG TRP A 385 83.005 9.841 -3.591 1.00 0.00 C ATOM 957 CD1 TRP A 385 84.255 10.008 -3.105 1.00 0.00 C ATOM 958 CD2 TRP A 385 82.616 11.121 -4.165 1.00 0.00 C ATOM 959 NE1 TRP A 385 84.659 11.310 -3.344 1.00 0.00 N ATOM 960 CE2 TRP A 385 83.682 12.036 -3.996 1.00 0.00 C ATOM 961 CE3 TRP A 385 81.452 11.574 -4.810 1.00 0.00 C ATOM 962 CZ2 TRP A 385 83.597 13.353 -4.450 1.00 0.00 C ATOM 963 CZ3 TRP A 385 81.363 12.898 -5.267 1.00 0.00 C ATOM 964 CH2 TRP A 385 82.434 13.785 -5.087 1.00 0.00 C ATOM 0 H TRP A 385 82.369 6.052 -5.194 1.00 0.00 H new ATOM 0 HA TRP A 385 80.954 8.597 -5.271 1.00 0.00 H new ATOM 0 HB2 TRP A 385 81.321 8.712 -2.937 1.00 0.00 H new ATOM 0 HB3 TRP A 385 82.814 7.798 -3.017 1.00 0.00 H new ATOM 0 HD1 TRP A 385 84.843 9.249 -2.611 1.00 0.00 H new ATOM 0 HE1 TRP A 385 85.567 11.687 -3.072 1.00 0.00 H new ATOM 0 HE3 TRP A 385 80.621 10.899 -4.955 1.00 0.00 H new ATOM 0 HZ2 TRP A 385 84.425 14.032 -4.309 1.00 0.00 H new ATOM 0 HZ3 TRP A 385 80.464 13.236 -5.761 1.00 0.00 H new ATOM 0 HH2 TRP A 385 82.358 14.802 -5.442 1.00 0.00 H new ATOM 975 N TYR A 386 83.027 9.608 -6.409 1.00 0.00 N ATOM 976 CA TYR A 386 84.053 10.030 -7.368 1.00 0.00 C ATOM 977 C TYR A 386 85.005 11.031 -6.713 1.00 0.00 C ATOM 978 O TYR A 386 84.666 12.202 -6.549 1.00 0.00 O ATOM 979 CB TYR A 386 83.388 10.679 -8.588 1.00 0.00 C ATOM 980 CG TYR A 386 82.134 9.913 -8.951 1.00 0.00 C ATOM 981 CD1 TYR A 386 80.996 10.009 -8.140 1.00 0.00 C ATOM 982 CD2 TYR A 386 82.107 9.112 -10.101 1.00 0.00 C ATOM 983 CE1 TYR A 386 79.835 9.304 -8.475 1.00 0.00 C ATOM 984 CE2 TYR A 386 80.945 8.406 -10.435 1.00 0.00 C ATOM 985 CZ TYR A 386 79.808 8.502 -9.622 1.00 0.00 C ATOM 986 OH TYR A 386 78.663 7.806 -9.953 1.00 0.00 O ATOM 0 H TYR A 386 82.372 10.344 -6.145 1.00 0.00 H new ATOM 0 HA TYR A 386 84.619 9.154 -7.686 1.00 0.00 H new ATOM 0 HB2 TYR A 386 83.141 11.718 -8.370 1.00 0.00 H new ATOM 0 HB3 TYR A 386 84.079 10.685 -9.431 1.00 0.00 H new ATOM 0 HD1 TYR A 386 81.015 10.628 -7.255 1.00 0.00 H new ATOM 0 HD2 TYR A 386 82.982 9.039 -10.729 1.00 0.00 H new ATOM 0 HE1 TYR A 386 78.959 9.379 -7.848 1.00 0.00 H new ATOM 0 HE2 TYR A 386 80.925 7.787 -11.320 1.00 0.00 H new ATOM 0 HH TYR A 386 78.815 7.300 -10.779 1.00 0.00 H new ATOM 996 N VAL A 387 86.197 10.567 -6.346 1.00 0.00 N ATOM 997 CA VAL A 387 87.188 11.435 -5.717 1.00 0.00 C ATOM 998 C VAL A 387 88.012 12.140 -6.782 1.00 0.00 C ATOM 999 O VAL A 387 88.220 11.609 -7.870 1.00 0.00 O ATOM 1000 CB VAL A 387 88.120 10.618 -4.819 1.00 0.00 C ATOM 1001 CG1 VAL A 387 87.296 9.835 -3.794 1.00 0.00 C ATOM 1002 CG2 VAL A 387 88.932 9.644 -5.678 1.00 0.00 C ATOM 0 H VAL A 387 86.499 9.601 -6.472 1.00 0.00 H new ATOM 0 HA VAL A 387 86.663 12.174 -5.111 1.00 0.00 H new ATOM 0 HB VAL A 387 88.797 11.292 -4.294 1.00 0.00 H new ATOM 0 HG11 VAL A 387 87.964 9.255 -3.157 1.00 0.00 H new ATOM 0 HG12 VAL A 387 86.722 10.530 -3.181 1.00 0.00 H new ATOM 0 HG13 VAL A 387 86.614 9.162 -4.313 1.00 0.00 H new ATOM 0 HG21 VAL A 387 89.596 9.062 -5.039 1.00 0.00 H new ATOM 0 HG22 VAL A 387 88.255 8.972 -6.205 1.00 0.00 H new ATOM 0 HG23 VAL A 387 89.524 10.204 -6.402 1.00 0.00 H new ATOM 1012 N LEU A 388 88.478 13.342 -6.461 1.00 0.00 N ATOM 1013 CA LEU A 388 89.285 14.125 -7.396 1.00 0.00 C ATOM 1014 C LEU A 388 90.723 14.224 -6.903 1.00 0.00 C ATOM 1015 O LEU A 388 90.988 14.132 -5.705 1.00 0.00 O ATOM 1016 CB LEU A 388 88.695 15.527 -7.530 1.00 0.00 C ATOM 1017 CG LEU A 388 87.190 15.439 -7.792 1.00 0.00 C ATOM 1018 CD1 LEU A 388 86.643 16.845 -8.047 1.00 0.00 C ATOM 1019 CD2 LEU A 388 86.922 14.558 -9.021 1.00 0.00 C ATOM 0 H LEU A 388 88.312 13.797 -5.563 1.00 0.00 H new ATOM 0 HA LEU A 388 89.279 13.629 -8.366 1.00 0.00 H new ATOM 0 HB2 LEU A 388 88.881 16.097 -6.620 1.00 0.00 H new ATOM 0 HB3 LEU A 388 89.184 16.060 -8.346 1.00 0.00 H new ATOM 0 HG LEU A 388 86.698 15.000 -6.924 1.00 0.00 H new ATOM 0 HD11 LEU A 388 85.571 16.790 -8.235 1.00 0.00 H new ATOM 0 HD12 LEU A 388 86.827 17.471 -7.174 1.00 0.00 H new ATOM 0 HD13 LEU A 388 87.141 17.277 -8.915 1.00 0.00 H new ATOM 0 HD21 LEU A 388 85.848 14.501 -9.200 1.00 0.00 H new ATOM 0 HD22 LEU A 388 87.413 14.990 -9.893 1.00 0.00 H new ATOM 0 HD23 LEU A 388 87.314 13.557 -8.843 1.00 0.00 H new ATOM 1031 N VAL A 389 91.651 14.409 -7.840 1.00 0.00 N ATOM 1032 CA VAL A 389 93.069 14.516 -7.500 1.00 0.00 C ATOM 1033 C VAL A 389 93.764 15.532 -8.400 1.00 0.00 C ATOM 1034 O VAL A 389 93.112 16.325 -9.080 1.00 0.00 O ATOM 1035 CB VAL A 389 93.744 13.150 -7.654 1.00 0.00 C ATOM 1036 CG1 VAL A 389 92.965 12.102 -6.857 1.00 0.00 C ATOM 1037 CG2 VAL A 389 93.761 12.754 -9.133 1.00 0.00 C ATOM 0 H VAL A 389 91.448 14.488 -8.837 1.00 0.00 H new ATOM 0 HA VAL A 389 93.151 14.851 -6.466 1.00 0.00 H new ATOM 0 HB VAL A 389 94.766 13.206 -7.279 1.00 0.00 H new ATOM 0 HG11 VAL A 389 93.446 11.130 -6.967 1.00 0.00 H new ATOM 0 HG12 VAL A 389 92.950 12.383 -5.804 1.00 0.00 H new ATOM 0 HG13 VAL A 389 91.943 12.046 -7.232 1.00 0.00 H new ATOM 0 HG21 VAL A 389 94.241 11.782 -9.244 1.00 0.00 H new ATOM 0 HG22 VAL A 389 92.739 12.698 -9.507 1.00 0.00 H new ATOM 0 HG23 VAL A 389 94.315 13.500 -9.703 1.00 0.00 H new ATOM 1047 N SER A 390 95.095 15.499 -8.398 1.00 0.00 N ATOM 1048 CA SER A 390 95.883 16.420 -9.216 1.00 0.00 C ATOM 1049 C SER A 390 97.188 15.765 -9.661 1.00 0.00 C ATOM 1050 O SER A 390 98.083 15.530 -8.850 1.00 0.00 O ATOM 1051 CB SER A 390 96.190 17.690 -8.423 1.00 0.00 C ATOM 1052 OG SER A 390 95.026 18.094 -7.714 1.00 0.00 O ATOM 0 H SER A 390 95.649 14.848 -7.842 1.00 0.00 H new ATOM 0 HA SER A 390 95.301 16.677 -10.101 1.00 0.00 H new ATOM 0 HB2 SER A 390 97.009 17.509 -7.727 1.00 0.00 H new ATOM 0 HB3 SER A 390 96.513 18.484 -9.096 1.00 0.00 H new ATOM 0 HG SER A 390 95.220 18.907 -7.203 1.00 0.00 H new ATOM 1058 N GLY A 391 97.287 15.478 -10.956 1.00 0.00 N ATOM 1059 CA GLY A 391 98.488 14.853 -11.503 1.00 0.00 C ATOM 1060 C GLY A 391 98.991 13.737 -10.593 1.00 0.00 C ATOM 1061 O GLY A 391 98.216 12.898 -10.136 1.00 0.00 O ATOM 0 H GLY A 391 96.556 15.666 -11.642 1.00 0.00 H new ATOM 0 HA2 GLY A 391 98.273 14.450 -12.493 1.00 0.00 H new ATOM 0 HA3 GLY A 391 99.268 15.604 -11.627 1.00 0.00 H new ATOM 1065 N VAL A 392 100.297 13.735 -10.334 1.00 0.00 N ATOM 1066 CA VAL A 392 100.904 12.718 -9.477 1.00 0.00 C ATOM 1067 C VAL A 392 102.143 13.271 -8.782 1.00 0.00 C ATOM 1068 O VAL A 392 103.010 13.871 -9.419 1.00 0.00 O ATOM 1069 CB VAL A 392 101.290 11.493 -10.309 1.00 0.00 C ATOM 1070 CG1 VAL A 392 100.034 10.867 -10.916 1.00 0.00 C ATOM 1071 CG2 VAL A 392 102.242 11.918 -11.429 1.00 0.00 C ATOM 0 H VAL A 392 100.953 14.423 -10.703 1.00 0.00 H new ATOM 0 HA VAL A 392 100.175 12.428 -8.720 1.00 0.00 H new ATOM 0 HB VAL A 392 101.784 10.762 -9.669 1.00 0.00 H new ATOM 0 HG11 VAL A 392 100.312 9.995 -11.508 1.00 0.00 H new ATOM 0 HG12 VAL A 392 99.357 10.563 -10.118 1.00 0.00 H new ATOM 0 HG13 VAL A 392 99.537 11.596 -11.556 1.00 0.00 H new ATOM 0 HG21 VAL A 392 102.518 11.046 -12.022 1.00 0.00 H new ATOM 0 HG22 VAL A 392 101.748 12.650 -12.068 1.00 0.00 H new ATOM 0 HG23 VAL A 392 103.139 12.360 -10.996 1.00 0.00 H new ATOM 1081 N TYR A 393 102.220 13.063 -7.469 1.00 0.00 N ATOM 1082 CA TYR A 393 103.359 13.537 -6.684 1.00 0.00 C ATOM 1083 C TYR A 393 104.420 12.447 -6.570 1.00 0.00 C ATOM 1084 O TYR A 393 104.115 11.305 -6.230 1.00 0.00 O ATOM 1085 CB TYR A 393 102.893 13.948 -5.286 1.00 0.00 C ATOM 1086 CG TYR A 393 102.044 15.192 -5.386 1.00 0.00 C ATOM 1087 CD1 TYR A 393 102.650 16.454 -5.379 1.00 0.00 C ATOM 1088 CD2 TYR A 393 100.653 15.084 -5.489 1.00 0.00 C ATOM 1089 CE1 TYR A 393 101.862 17.609 -5.475 1.00 0.00 C ATOM 1090 CE2 TYR A 393 99.865 16.237 -5.584 1.00 0.00 C ATOM 1091 CZ TYR A 393 100.470 17.500 -5.577 1.00 0.00 C ATOM 1092 OH TYR A 393 99.695 18.637 -5.672 1.00 0.00 O ATOM 0 H TYR A 393 101.510 12.571 -6.927 1.00 0.00 H new ATOM 0 HA TYR A 393 103.793 14.399 -7.190 1.00 0.00 H new ATOM 0 HB2 TYR A 393 102.321 13.140 -4.829 1.00 0.00 H new ATOM 0 HB3 TYR A 393 103.754 14.133 -4.643 1.00 0.00 H new ATOM 0 HD1 TYR A 393 103.724 16.537 -5.300 1.00 0.00 H new ATOM 0 HD2 TYR A 393 100.187 14.110 -5.495 1.00 0.00 H new ATOM 0 HE1 TYR A 393 102.329 18.583 -5.470 1.00 0.00 H new ATOM 0 HE2 TYR A 393 98.791 16.153 -5.663 1.00 0.00 H new ATOM 0 HH TYR A 393 98.750 18.385 -5.737 1.00 0.00 H new ATOM 1102 N ALA A 394 105.666 12.808 -6.859 1.00 0.00 N ATOM 1103 CA ALA A 394 106.764 11.852 -6.788 1.00 0.00 C ATOM 1104 C ALA A 394 107.138 11.572 -5.335 1.00 0.00 C ATOM 1105 O ALA A 394 107.775 10.564 -5.032 1.00 0.00 O ATOM 1106 CB ALA A 394 107.982 12.398 -7.534 1.00 0.00 C ATOM 0 H ALA A 394 105.939 13.749 -7.143 1.00 0.00 H new ATOM 0 HA ALA A 394 106.441 10.921 -7.254 1.00 0.00 H new ATOM 0 HB1 ALA A 394 108.798 11.677 -7.476 1.00 0.00 H new ATOM 0 HB2 ALA A 394 107.722 12.569 -8.579 1.00 0.00 H new ATOM 0 HB3 ALA A 394 108.295 13.338 -7.080 1.00 0.00 H new ATOM 1112 N SER A 395 106.738 12.472 -4.442 1.00 0.00 N ATOM 1113 CA SER A 395 107.037 12.315 -3.020 1.00 0.00 C ATOM 1114 C SER A 395 106.032 13.091 -2.175 1.00 0.00 C ATOM 1115 O SER A 395 105.392 14.025 -2.655 1.00 0.00 O ATOM 1116 CB SER A 395 108.450 12.818 -2.726 1.00 0.00 C ATOM 1117 OG SER A 395 109.358 12.233 -3.649 1.00 0.00 O ATOM 0 H SER A 395 106.209 13.313 -4.674 1.00 0.00 H new ATOM 0 HA SER A 395 106.969 11.257 -2.766 1.00 0.00 H new ATOM 0 HB2 SER A 395 108.485 13.905 -2.803 1.00 0.00 H new ATOM 0 HB3 SER A 395 108.735 12.561 -1.706 1.00 0.00 H new ATOM 0 HG SER A 395 108.984 11.393 -3.988 1.00 0.00 H new ATOM 1123 N LYS A 396 105.897 12.694 -0.914 1.00 0.00 N ATOM 1124 CA LYS A 396 104.964 13.358 -0.010 1.00 0.00 C ATOM 1125 C LYS A 396 105.479 14.741 0.375 1.00 0.00 C ATOM 1126 O LYS A 396 104.719 15.586 0.848 1.00 0.00 O ATOM 1127 CB LYS A 396 104.769 12.516 1.252 1.00 0.00 C ATOM 1128 CG LYS A 396 103.650 13.122 2.101 1.00 0.00 C ATOM 1129 CD LYS A 396 103.302 12.169 3.246 1.00 0.00 C ATOM 1130 CE LYS A 396 102.099 12.715 4.018 1.00 0.00 C ATOM 1131 NZ LYS A 396 102.474 13.998 4.678 1.00 0.00 N ATOM 0 H LYS A 396 106.417 11.922 -0.497 1.00 0.00 H new ATOM 0 HA LYS A 396 104.009 13.469 -0.524 1.00 0.00 H new ATOM 0 HB2 LYS A 396 104.520 11.490 0.982 1.00 0.00 H new ATOM 0 HB3 LYS A 396 105.696 12.480 1.825 1.00 0.00 H new ATOM 0 HG2 LYS A 396 103.964 14.087 2.500 1.00 0.00 H new ATOM 0 HG3 LYS A 396 102.769 13.303 1.485 1.00 0.00 H new ATOM 0 HD2 LYS A 396 103.075 11.178 2.852 1.00 0.00 H new ATOM 0 HD3 LYS A 396 104.156 12.059 3.914 1.00 0.00 H new ATOM 0 HE2 LYS A 396 101.260 12.874 3.341 1.00 0.00 H new ATOM 0 HE3 LYS A 396 101.773 11.991 4.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 396 101.762 14.240 5.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 396 103.404 13.896 5.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 396 102.518 14.755 3.966 1.00 0.00 H new ATOM 1145 N GLU A 397 106.773 14.964 0.171 1.00 0.00 N ATOM 1146 CA GLU A 397 107.378 16.249 0.503 1.00 0.00 C ATOM 1147 C GLU A 397 106.681 17.382 -0.243 1.00 0.00 C ATOM 1148 O GLU A 397 106.279 18.379 0.357 1.00 0.00 O ATOM 1149 CB GLU A 397 108.864 16.237 0.138 1.00 0.00 C ATOM 1150 CG GLU A 397 109.508 14.952 0.664 1.00 0.00 C ATOM 1151 CD GLU A 397 111.027 15.072 0.613 1.00 0.00 C ATOM 1152 OE1 GLU A 397 111.556 15.167 -0.482 1.00 0.00 O ATOM 1153 OE2 GLU A 397 111.638 15.066 1.667 1.00 0.00 O ATOM 0 H GLU A 397 107.419 14.278 -0.219 1.00 0.00 H new ATOM 0 HA GLU A 397 107.267 16.413 1.575 1.00 0.00 H new ATOM 0 HB2 GLU A 397 108.984 16.300 -0.943 1.00 0.00 H new ATOM 0 HB3 GLU A 397 109.362 17.107 0.566 1.00 0.00 H new ATOM 0 HG2 GLU A 397 109.184 14.766 1.688 1.00 0.00 H new ATOM 0 HG3 GLU A 397 109.182 14.101 0.066 1.00 0.00 H new ATOM 1160 N GLU A 398 106.544 17.225 -1.556 1.00 0.00 N ATOM 1161 CA GLU A 398 105.897 18.243 -2.375 1.00 0.00 C ATOM 1162 C GLU A 398 104.381 18.186 -2.211 1.00 0.00 C ATOM 1163 O GLU A 398 103.695 19.201 -2.338 1.00 0.00 O ATOM 1164 CB GLU A 398 106.260 18.036 -3.846 1.00 0.00 C ATOM 1165 CG GLU A 398 105.856 19.273 -4.652 1.00 0.00 C ATOM 1166 CD GLU A 398 106.038 19.006 -6.142 1.00 0.00 C ATOM 1167 OE1 GLU A 398 107.129 19.239 -6.637 1.00 0.00 O ATOM 1168 OE2 GLU A 398 105.084 18.573 -6.767 1.00 0.00 O ATOM 0 H GLU A 398 106.870 16.408 -2.072 1.00 0.00 H new ATOM 0 HA GLU A 398 106.248 19.221 -2.046 1.00 0.00 H new ATOM 0 HB2 GLU A 398 107.331 17.858 -3.946 1.00 0.00 H new ATOM 0 HB3 GLU A 398 105.753 17.154 -4.236 1.00 0.00 H new ATOM 0 HG2 GLU A 398 104.817 19.529 -4.444 1.00 0.00 H new ATOM 0 HG3 GLU A 398 106.462 20.128 -4.351 1.00 0.00 H new ATOM 1175 N ALA A 399 103.863 16.993 -1.933 1.00 0.00 N ATOM 1176 CA ALA A 399 102.426 16.818 -1.760 1.00 0.00 C ATOM 1177 C ALA A 399 101.919 17.632 -0.572 1.00 0.00 C ATOM 1178 O ALA A 399 100.753 18.022 -0.529 1.00 0.00 O ATOM 1179 CB ALA A 399 102.102 15.337 -1.544 1.00 0.00 C ATOM 0 H ALA A 399 104.412 16.140 -1.824 1.00 0.00 H new ATOM 0 HA ALA A 399 101.928 17.172 -2.663 1.00 0.00 H new ATOM 0 HB1 ALA A 399 101.027 15.215 -1.416 1.00 0.00 H new ATOM 0 HB2 ALA A 399 102.432 14.762 -2.410 1.00 0.00 H new ATOM 0 HB3 ALA A 399 102.617 14.978 -0.653 1.00 0.00 H new ATOM 1185 N LYS A 400 102.801 17.884 0.391 1.00 0.00 N ATOM 1186 CA LYS A 400 102.424 18.650 1.574 1.00 0.00 C ATOM 1187 C LYS A 400 102.149 20.105 1.206 1.00 0.00 C ATOM 1188 O LYS A 400 101.008 20.562 1.251 1.00 0.00 O ATOM 1189 CB LYS A 400 103.549 18.589 2.615 1.00 0.00 C ATOM 1190 CG LYS A 400 103.043 19.099 3.978 1.00 0.00 C ATOM 1191 CD LYS A 400 102.371 17.961 4.759 1.00 0.00 C ATOM 1192 CE LYS A 400 102.015 18.450 6.164 1.00 0.00 C ATOM 1193 NZ LYS A 400 101.603 17.291 7.005 1.00 0.00 N ATOM 0 H LYS A 400 103.772 17.572 0.376 1.00 0.00 H new ATOM 0 HA LYS A 400 101.516 18.215 1.992 1.00 0.00 H new ATOM 0 HB2 LYS A 400 103.908 17.565 2.713 1.00 0.00 H new ATOM 0 HB3 LYS A 400 104.394 19.193 2.284 1.00 0.00 H new ATOM 0 HG2 LYS A 400 103.876 19.502 4.555 1.00 0.00 H new ATOM 0 HG3 LYS A 400 102.335 19.914 3.828 1.00 0.00 H new ATOM 0 HD2 LYS A 400 101.472 17.629 4.239 1.00 0.00 H new ATOM 0 HD3 LYS A 400 103.040 17.102 4.819 1.00 0.00 H new ATOM 0 HE2 LYS A 400 102.872 18.953 6.613 1.00 0.00 H new ATOM 0 HE3 LYS A 400 101.208 19.181 6.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 400 101.361 17.624 7.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 400 100.774 16.830 6.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 400 102.386 16.609 7.064 1.00 0.00 H new ATOM 1207 N LYS A 401 103.204 20.827 0.843 1.00 0.00 N ATOM 1208 CA LYS A 401 103.067 22.231 0.471 1.00 0.00 C ATOM 1209 C LYS A 401 101.966 22.407 -0.571 1.00 0.00 C ATOM 1210 O LYS A 401 101.464 23.512 -0.776 1.00 0.00 O ATOM 1211 CB LYS A 401 104.391 22.755 -0.089 1.00 0.00 C ATOM 1212 CG LYS A 401 104.905 21.800 -1.170 1.00 0.00 C ATOM 1213 CD LYS A 401 105.988 22.496 -2.000 1.00 0.00 C ATOM 1214 CE LYS A 401 107.144 22.926 -1.091 1.00 0.00 C ATOM 1215 NZ LYS A 401 106.775 24.183 -0.381 1.00 0.00 N ATOM 0 H LYS A 401 104.157 20.467 0.798 1.00 0.00 H new ATOM 0 HA LYS A 401 102.800 22.798 1.363 1.00 0.00 H new ATOM 0 HB2 LYS A 401 104.252 23.752 -0.507 1.00 0.00 H new ATOM 0 HB3 LYS A 401 105.126 22.844 0.711 1.00 0.00 H new ATOM 0 HG2 LYS A 401 105.309 20.898 -0.710 1.00 0.00 H new ATOM 0 HG3 LYS A 401 104.083 21.488 -1.815 1.00 0.00 H new ATOM 0 HD2 LYS A 401 106.354 21.822 -2.775 1.00 0.00 H new ATOM 0 HD3 LYS A 401 105.568 23.366 -2.506 1.00 0.00 H new ATOM 0 HE2 LYS A 401 107.366 22.140 -0.370 1.00 0.00 H new ATOM 0 HE3 LYS A 401 108.047 23.081 -1.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 401 107.596 24.821 -0.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 401 105.991 24.647 -0.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 401 106.481 23.959 0.591 1.00 0.00 H new ATOM 1229 N ALA A 402 101.597 21.312 -1.228 1.00 0.00 N ATOM 1230 CA ALA A 402 100.555 21.362 -2.247 1.00 0.00 C ATOM 1231 C ALA A 402 99.240 21.851 -1.647 1.00 0.00 C ATOM 1232 O ALA A 402 98.572 22.715 -2.211 1.00 0.00 O ATOM 1233 CB ALA A 402 100.357 19.975 -2.863 1.00 0.00 C ATOM 0 H ALA A 402 102.000 20.387 -1.075 1.00 0.00 H new ATOM 0 HA ALA A 402 100.867 22.060 -3.024 1.00 0.00 H new ATOM 0 HB1 ALA A 402 99.577 20.022 -3.623 1.00 0.00 H new ATOM 0 HB2 ALA A 402 101.289 19.643 -3.320 1.00 0.00 H new ATOM 0 HB3 ALA A 402 100.064 19.270 -2.085 1.00 0.00 H new ATOM 1239 N VAL A 403 98.875 21.290 -0.498 1.00 0.00 N ATOM 1240 CA VAL A 403 97.637 21.676 0.169 1.00 0.00 C ATOM 1241 C VAL A 403 97.544 23.194 0.293 1.00 0.00 C ATOM 1242 O VAL A 403 96.509 23.788 -0.006 1.00 0.00 O ATOM 1243 CB VAL A 403 97.575 21.043 1.560 1.00 0.00 C ATOM 1244 CG1 VAL A 403 96.308 21.510 2.278 1.00 0.00 C ATOM 1245 CG2 VAL A 403 97.552 19.519 1.425 1.00 0.00 C ATOM 0 H VAL A 403 99.414 20.573 -0.013 1.00 0.00 H new ATOM 0 HA VAL A 403 96.798 21.321 -0.430 1.00 0.00 H new ATOM 0 HB VAL A 403 98.450 21.345 2.136 1.00 0.00 H new ATOM 0 HG11 VAL A 403 96.264 21.059 3.269 1.00 0.00 H new ATOM 0 HG12 VAL A 403 96.323 22.596 2.374 1.00 0.00 H new ATOM 0 HG13 VAL A 403 95.432 21.209 1.703 1.00 0.00 H new ATOM 0 HG21 VAL A 403 97.508 19.067 2.416 1.00 0.00 H new ATOM 0 HG22 VAL A 403 96.677 19.218 0.849 1.00 0.00 H new ATOM 0 HG23 VAL A 403 98.455 19.185 0.914 1.00 0.00 H new ATOM 1255 N SER A 404 98.632 23.813 0.740 1.00 0.00 N ATOM 1256 CA SER A 404 98.663 25.262 0.903 1.00 0.00 C ATOM 1257 C SER A 404 98.137 25.959 -0.348 1.00 0.00 C ATOM 1258 O SER A 404 97.417 26.954 -0.259 1.00 0.00 O ATOM 1259 CB SER A 404 100.093 25.724 1.182 1.00 0.00 C ATOM 1260 OG SER A 404 100.641 24.943 2.236 1.00 0.00 O ATOM 0 H SER A 404 99.498 23.338 0.994 1.00 0.00 H new ATOM 0 HA SER A 404 98.023 25.525 1.745 1.00 0.00 H new ATOM 0 HB2 SER A 404 100.702 25.622 0.284 1.00 0.00 H new ATOM 0 HB3 SER A 404 100.100 26.779 1.454 1.00 0.00 H new ATOM 0 HG SER A 404 101.559 25.235 2.417 1.00 0.00 H new ATOM 1266 N THR A 405 98.505 25.435 -1.513 1.00 0.00 N ATOM 1267 CA THR A 405 98.064 26.021 -2.774 1.00 0.00 C ATOM 1268 C THR A 405 96.542 26.011 -2.870 1.00 0.00 C ATOM 1269 O THR A 405 95.922 27.040 -3.141 1.00 0.00 O ATOM 1270 CB THR A 405 98.656 25.243 -3.953 1.00 0.00 C ATOM 1271 OG1 THR A 405 97.970 24.009 -4.096 1.00 0.00 O ATOM 1272 CG2 THR A 405 100.142 24.980 -3.700 1.00 0.00 C ATOM 0 H THR A 405 99.102 24.614 -1.610 1.00 0.00 H new ATOM 0 HA THR A 405 98.412 27.053 -2.810 1.00 0.00 H new ATOM 0 HB THR A 405 98.545 25.827 -4.867 1.00 0.00 H new ATOM 0 HG1 THR A 405 98.387 23.334 -3.521 1.00 0.00 H new ATOM 0 HG21 THR A 405 100.562 24.426 -4.540 1.00 0.00 H new ATOM 0 HG22 THR A 405 100.666 25.930 -3.593 1.00 0.00 H new ATOM 0 HG23 THR A 405 100.258 24.397 -2.787 1.00 0.00 H new ATOM 1280 N LEU A 406 95.945 24.845 -2.650 1.00 0.00 N ATOM 1281 CA LEU A 406 94.494 24.719 -2.720 1.00 0.00 C ATOM 1282 C LEU A 406 93.828 25.774 -1.831 1.00 0.00 C ATOM 1283 O LEU A 406 94.379 26.144 -0.794 1.00 0.00 O ATOM 1284 CB LEU A 406 94.070 23.318 -2.259 1.00 0.00 C ATOM 1285 CG LEU A 406 94.978 22.259 -2.892 1.00 0.00 C ATOM 1286 CD1 LEU A 406 94.419 20.867 -2.590 1.00 0.00 C ATOM 1287 CD2 LEU A 406 95.037 22.466 -4.410 1.00 0.00 C ATOM 0 H LEU A 406 96.438 23.981 -2.424 1.00 0.00 H new ATOM 0 HA LEU A 406 94.178 24.872 -3.752 1.00 0.00 H new ATOM 0 HB2 LEU A 406 94.124 23.252 -1.172 1.00 0.00 H new ATOM 0 HB3 LEU A 406 93.033 23.133 -2.538 1.00 0.00 H new ATOM 0 HG LEU A 406 95.982 22.350 -2.478 1.00 0.00 H new ATOM 0 HD11 LEU A 406 95.063 20.111 -3.039 1.00 0.00 H new ATOM 0 HD12 LEU A 406 94.381 20.717 -1.511 1.00 0.00 H new ATOM 0 HD13 LEU A 406 93.415 20.781 -3.004 1.00 0.00 H new ATOM 0 HD21 LEU A 406 95.684 21.710 -4.855 1.00 0.00 H new ATOM 0 HD22 LEU A 406 94.034 22.378 -4.829 1.00 0.00 H new ATOM 0 HD23 LEU A 406 95.435 23.457 -4.627 1.00 0.00 H new ATOM 1299 N PRO A 407 92.666 26.267 -2.200 1.00 0.00 N ATOM 1300 CA PRO A 407 91.945 27.296 -1.391 1.00 0.00 C ATOM 1301 C PRO A 407 91.356 26.702 -0.113 1.00 0.00 C ATOM 1302 O PRO A 407 91.541 25.520 0.176 1.00 0.00 O ATOM 1303 CB PRO A 407 90.843 27.789 -2.341 1.00 0.00 C ATOM 1304 CG PRO A 407 90.566 26.622 -3.232 1.00 0.00 C ATOM 1305 CD PRO A 407 91.907 25.908 -3.415 1.00 0.00 C ATOM 0 HA PRO A 407 92.601 28.096 -1.049 1.00 0.00 H new ATOM 0 HB2 PRO A 407 89.951 28.089 -1.792 1.00 0.00 H new ATOM 0 HB3 PRO A 407 91.172 28.656 -2.914 1.00 0.00 H new ATOM 0 HG2 PRO A 407 89.827 25.957 -2.786 1.00 0.00 H new ATOM 0 HG3 PRO A 407 90.163 26.949 -4.191 1.00 0.00 H new ATOM 0 HD2 PRO A 407 91.777 24.829 -3.501 1.00 0.00 H new ATOM 0 HD3 PRO A 407 92.418 26.241 -4.319 1.00 0.00 H new ATOM 1313 N ALA A 408 90.646 27.530 0.647 1.00 0.00 N ATOM 1314 CA ALA A 408 90.035 27.073 1.889 1.00 0.00 C ATOM 1315 C ALA A 408 88.913 26.081 1.600 1.00 0.00 C ATOM 1316 O ALA A 408 88.902 24.970 2.128 1.00 0.00 O ATOM 1317 CB ALA A 408 89.476 28.267 2.665 1.00 0.00 C ATOM 0 H ALA A 408 90.481 28.512 0.427 1.00 0.00 H new ATOM 0 HA ALA A 408 90.799 26.576 2.487 1.00 0.00 H new ATOM 0 HB1 ALA A 408 89.021 27.918 3.592 1.00 0.00 H new ATOM 0 HB2 ALA A 408 90.284 28.961 2.896 1.00 0.00 H new ATOM 0 HB3 ALA A 408 88.724 28.774 2.060 1.00 0.00 H new ATOM 1323 N ASP A 409 87.967 26.494 0.761 1.00 0.00 N ATOM 1324 CA ASP A 409 86.838 25.637 0.408 1.00 0.00 C ATOM 1325 C ASP A 409 87.297 24.201 0.164 1.00 0.00 C ATOM 1326 O ASP A 409 86.641 23.251 0.589 1.00 0.00 O ATOM 1327 CB ASP A 409 86.153 26.173 -0.850 1.00 0.00 C ATOM 1328 CG ASP A 409 85.678 27.604 -0.616 1.00 0.00 C ATOM 1329 OD1 ASP A 409 86.471 28.398 -0.137 1.00 0.00 O ATOM 1330 OD2 ASP A 409 84.530 27.884 -0.919 1.00 0.00 O ATOM 0 H ASP A 409 87.959 27.411 0.315 1.00 0.00 H new ATOM 0 HA ASP A 409 86.135 25.641 1.241 1.00 0.00 H new ATOM 0 HB2 ASP A 409 86.845 26.144 -1.691 1.00 0.00 H new ATOM 0 HB3 ASP A 409 85.306 25.538 -1.112 1.00 0.00 H new ATOM 1335 N VAL A 410 88.427 24.050 -0.519 1.00 0.00 N ATOM 1336 CA VAL A 410 88.959 22.723 -0.808 1.00 0.00 C ATOM 1337 C VAL A 410 89.649 22.144 0.425 1.00 0.00 C ATOM 1338 O VAL A 410 89.455 20.979 0.768 1.00 0.00 O ATOM 1339 CB VAL A 410 89.952 22.800 -1.972 1.00 0.00 C ATOM 1340 CG1 VAL A 410 90.613 21.435 -2.179 1.00 0.00 C ATOM 1341 CG2 VAL A 410 89.206 23.199 -3.247 1.00 0.00 C ATOM 0 H VAL A 410 88.988 24.822 -0.880 1.00 0.00 H new ATOM 0 HA VAL A 410 88.132 22.069 -1.085 1.00 0.00 H new ATOM 0 HB VAL A 410 90.718 23.541 -1.745 1.00 0.00 H new ATOM 0 HG11 VAL A 410 91.318 21.494 -3.008 1.00 0.00 H new ATOM 0 HG12 VAL A 410 91.143 21.146 -1.271 1.00 0.00 H new ATOM 0 HG13 VAL A 410 89.849 20.691 -2.405 1.00 0.00 H new ATOM 0 HG21 VAL A 410 89.909 23.255 -4.078 1.00 0.00 H new ATOM 0 HG22 VAL A 410 88.441 22.455 -3.469 1.00 0.00 H new ATOM 0 HG23 VAL A 410 88.736 24.172 -3.104 1.00 0.00 H new ATOM 1351 N GLN A 411 90.456 22.968 1.087 1.00 0.00 N ATOM 1352 CA GLN A 411 91.166 22.524 2.280 1.00 0.00 C ATOM 1353 C GLN A 411 90.181 22.215 3.405 1.00 0.00 C ATOM 1354 O GLN A 411 90.503 21.484 4.342 1.00 0.00 O ATOM 1355 CB GLN A 411 92.147 23.608 2.736 1.00 0.00 C ATOM 1356 CG GLN A 411 93.066 23.040 3.820 1.00 0.00 C ATOM 1357 CD GLN A 411 94.092 24.089 4.234 1.00 0.00 C ATOM 1358 OE1 GLN A 411 94.139 24.487 5.398 1.00 0.00 O ATOM 1359 NE2 GLN A 411 94.923 24.563 3.345 1.00 0.00 N ATOM 0 H GLN A 411 90.633 23.937 0.821 1.00 0.00 H new ATOM 0 HA GLN A 411 91.717 21.616 2.038 1.00 0.00 H new ATOM 0 HB2 GLN A 411 92.738 23.958 1.890 1.00 0.00 H new ATOM 0 HB3 GLN A 411 91.601 24.469 3.121 1.00 0.00 H new ATOM 0 HG2 GLN A 411 92.477 22.734 4.685 1.00 0.00 H new ATOM 0 HG3 GLN A 411 93.573 22.150 3.449 1.00 0.00 H new ATOM 0 HE21 GLN A 411 94.882 24.232 2.381 1.00 0.00 H new ATOM 0 HE22 GLN A 411 95.613 25.264 3.615 1.00 0.00 H new ATOM 1368 N ALA A 412 88.979 22.774 3.303 1.00 0.00 N ATOM 1369 CA ALA A 412 87.953 22.551 4.315 1.00 0.00 C ATOM 1370 C ALA A 412 87.582 21.073 4.383 1.00 0.00 C ATOM 1371 O ALA A 412 87.326 20.534 5.459 1.00 0.00 O ATOM 1372 CB ALA A 412 86.707 23.377 3.988 1.00 0.00 C ATOM 0 H ALA A 412 88.693 23.381 2.535 1.00 0.00 H new ATOM 0 HA ALA A 412 88.349 22.861 5.282 1.00 0.00 H new ATOM 0 HB1 ALA A 412 85.946 23.204 4.749 1.00 0.00 H new ATOM 0 HB2 ALA A 412 86.967 24.435 3.968 1.00 0.00 H new ATOM 0 HB3 ALA A 412 86.319 23.080 3.013 1.00 0.00 H new ATOM 1378 N LYS A 413 87.557 20.425 3.222 1.00 0.00 N ATOM 1379 CA LYS A 413 87.219 19.005 3.156 1.00 0.00 C ATOM 1380 C LYS A 413 88.300 18.177 3.839 1.00 0.00 C ATOM 1381 O LYS A 413 88.268 16.947 3.810 1.00 0.00 O ATOM 1382 CB LYS A 413 87.080 18.557 1.694 1.00 0.00 C ATOM 1383 CG LYS A 413 86.468 19.683 0.864 1.00 0.00 C ATOM 1384 CD LYS A 413 85.134 20.119 1.484 1.00 0.00 C ATOM 1385 CE LYS A 413 84.319 20.904 0.453 1.00 0.00 C ATOM 1386 NZ LYS A 413 83.992 20.017 -0.699 1.00 0.00 N ATOM 0 H LYS A 413 87.765 20.855 2.321 1.00 0.00 H new ATOM 0 HA LYS A 413 86.269 18.853 3.668 1.00 0.00 H new ATOM 0 HB2 LYS A 413 88.057 18.286 1.293 1.00 0.00 H new ATOM 0 HB3 LYS A 413 86.453 17.667 1.635 1.00 0.00 H new ATOM 0 HG2 LYS A 413 87.153 20.529 0.821 1.00 0.00 H new ATOM 0 HG3 LYS A 413 86.311 19.348 -0.161 1.00 0.00 H new ATOM 0 HD2 LYS A 413 84.573 19.245 1.816 1.00 0.00 H new ATOM 0 HD3 LYS A 413 85.315 20.735 2.365 1.00 0.00 H new ATOM 0 HE2 LYS A 413 83.403 21.281 0.908 1.00 0.00 H new ATOM 0 HE3 LYS A 413 84.884 21.771 0.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 83.096 20.323 -1.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 84.753 20.072 -1.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 83.898 19.036 -0.366 1.00 0.00 H new ATOM 1400 N ASN A 414 89.258 18.862 4.446 1.00 0.00 N ATOM 1401 CA ASN A 414 90.351 18.191 5.126 1.00 0.00 C ATOM 1402 C ASN A 414 90.970 17.121 4.231 1.00 0.00 C ATOM 1403 O ASN A 414 90.854 15.926 4.505 1.00 0.00 O ATOM 1404 CB ASN A 414 89.852 17.555 6.425 1.00 0.00 C ATOM 1405 CG ASN A 414 91.027 16.991 7.214 1.00 0.00 C ATOM 1406 OD1 ASN A 414 91.180 15.774 7.318 1.00 0.00 O ATOM 1407 ND2 ASN A 414 91.872 17.807 7.782 1.00 0.00 N ATOM 0 H ASN A 414 89.299 19.881 4.480 1.00 0.00 H new ATOM 0 HA ASN A 414 91.115 18.933 5.359 1.00 0.00 H new ATOM 0 HB2 ASN A 414 89.324 18.297 7.024 1.00 0.00 H new ATOM 0 HB3 ASN A 414 89.139 16.761 6.201 1.00 0.00 H new ATOM 0 HD21 ASN A 414 92.660 17.437 8.313 1.00 0.00 H new ATOM 0 HD22 ASN A 414 91.744 18.815 7.695 1.00 0.00 H new ATOM 1414 N PRO A 415 91.623 17.530 3.175 1.00 0.00 N ATOM 1415 CA PRO A 415 92.280 16.590 2.219 1.00 0.00 C ATOM 1416 C PRO A 415 93.161 15.566 2.935 1.00 0.00 C ATOM 1417 O PRO A 415 93.704 15.841 4.005 1.00 0.00 O ATOM 1418 CB PRO A 415 93.115 17.515 1.321 1.00 0.00 C ATOM 1419 CG PRO A 415 92.414 18.836 1.373 1.00 0.00 C ATOM 1420 CD PRO A 415 91.808 18.936 2.775 1.00 0.00 C ATOM 0 HA PRO A 415 91.558 15.993 1.662 1.00 0.00 H new ATOM 0 HB2 PRO A 415 94.140 17.597 1.683 1.00 0.00 H new ATOM 0 HB3 PRO A 415 93.166 17.135 0.301 1.00 0.00 H new ATOM 0 HG2 PRO A 415 93.110 19.655 1.189 1.00 0.00 H new ATOM 0 HG3 PRO A 415 91.640 18.898 0.608 1.00 0.00 H new ATOM 0 HD2 PRO A 415 92.470 19.464 3.461 1.00 0.00 H new ATOM 0 HD3 PRO A 415 90.862 19.478 2.765 1.00 0.00 H new ATOM 1428 N TRP A 416 93.298 14.385 2.336 1.00 0.00 N ATOM 1429 CA TRP A 416 94.116 13.320 2.916 1.00 0.00 C ATOM 1430 C TRP A 416 94.894 12.594 1.824 1.00 0.00 C ATOM 1431 O TRP A 416 94.446 12.511 0.680 1.00 0.00 O ATOM 1432 CB TRP A 416 93.227 12.326 3.672 1.00 0.00 C ATOM 1433 CG TRP A 416 92.210 11.742 2.744 1.00 0.00 C ATOM 1434 CD1 TRP A 416 91.238 12.440 2.110 1.00 0.00 C ATOM 1435 CD2 TRP A 416 92.043 10.352 2.343 1.00 0.00 C ATOM 1436 NE1 TRP A 416 90.489 11.567 1.344 1.00 0.00 N ATOM 1437 CE2 TRP A 416 90.945 10.268 1.454 1.00 0.00 C ATOM 1438 CE3 TRP A 416 92.731 9.167 2.660 1.00 0.00 C ATOM 1439 CZ2 TRP A 416 90.544 9.051 0.900 1.00 0.00 C ATOM 1440 CZ3 TRP A 416 92.330 7.941 2.105 1.00 0.00 C ATOM 1441 CH2 TRP A 416 91.239 7.884 1.226 1.00 0.00 C ATOM 0 H TRP A 416 92.854 14.141 1.451 1.00 0.00 H new ATOM 0 HA TRP A 416 94.824 13.767 3.614 1.00 0.00 H new ATOM 0 HB2 TRP A 416 93.838 11.532 4.101 1.00 0.00 H new ATOM 0 HB3 TRP A 416 92.729 12.828 4.501 1.00 0.00 H new ATOM 0 HD1 TRP A 416 91.075 13.505 2.190 1.00 0.00 H new ATOM 0 HE1 TRP A 416 89.696 11.848 0.767 1.00 0.00 H new ATOM 0 HE3 TRP A 416 93.574 9.200 3.335 1.00 0.00 H new ATOM 0 HZ2 TRP A 416 89.702 9.012 0.224 1.00 0.00 H new ATOM 0 HZ3 TRP A 416 92.865 7.037 2.357 1.00 0.00 H new ATOM 0 HH2 TRP A 416 90.936 6.938 0.801 1.00 0.00 H new ATOM 1452 N ALA A 417 96.065 12.080 2.183 1.00 0.00 N ATOM 1453 CA ALA A 417 96.909 11.372 1.225 1.00 0.00 C ATOM 1454 C ALA A 417 96.448 9.930 1.050 1.00 0.00 C ATOM 1455 O ALA A 417 96.584 9.109 1.958 1.00 0.00 O ATOM 1456 CB ALA A 417 98.362 11.389 1.701 1.00 0.00 C ATOM 0 H ALA A 417 96.451 12.139 3.125 1.00 0.00 H new ATOM 0 HA ALA A 417 96.830 11.880 0.264 1.00 0.00 H new ATOM 0 HB1 ALA A 417 98.987 10.859 0.982 1.00 0.00 H new ATOM 0 HB2 ALA A 417 98.704 12.420 1.788 1.00 0.00 H new ATOM 0 HB3 ALA A 417 98.432 10.900 2.673 1.00 0.00 H new ATOM 1462 N LYS A 418 95.897 9.627 -0.128 1.00 0.00 N ATOM 1463 CA LYS A 418 95.412 8.278 -0.434 1.00 0.00 C ATOM 1464 C LYS A 418 96.233 7.665 -1.571 1.00 0.00 C ATOM 1465 O LYS A 418 95.832 7.728 -2.732 1.00 0.00 O ATOM 1466 CB LYS A 418 93.943 8.353 -0.864 1.00 0.00 C ATOM 1467 CG LYS A 418 93.349 6.938 -0.941 1.00 0.00 C ATOM 1468 CD LYS A 418 91.997 6.968 -1.681 1.00 0.00 C ATOM 1469 CE LYS A 418 92.218 6.859 -3.196 1.00 0.00 C ATOM 1470 NZ LYS A 418 90.898 6.846 -3.888 1.00 0.00 N ATOM 0 H LYS A 418 95.775 10.298 -0.886 1.00 0.00 H new ATOM 0 HA LYS A 418 95.512 7.657 0.456 1.00 0.00 H new ATOM 0 HB2 LYS A 418 93.377 8.956 -0.154 1.00 0.00 H new ATOM 0 HB3 LYS A 418 93.863 8.844 -1.834 1.00 0.00 H new ATOM 0 HG2 LYS A 418 94.040 6.273 -1.459 1.00 0.00 H new ATOM 0 HG3 LYS A 418 93.213 6.537 0.064 1.00 0.00 H new ATOM 0 HD2 LYS A 418 91.368 6.146 -1.338 1.00 0.00 H new ATOM 0 HD3 LYS A 418 91.468 7.892 -1.449 1.00 0.00 H new ATOM 0 HE2 LYS A 418 92.818 7.698 -3.549 1.00 0.00 H new ATOM 0 HE3 LYS A 418 92.773 5.950 -3.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 418 91.044 6.909 -4.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 418 90.397 5.963 -3.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 418 90.331 7.657 -3.569 1.00 0.00 H new ATOM 1484 N PRO A 419 97.363 7.072 -1.267 1.00 0.00 N ATOM 1485 CA PRO A 419 98.235 6.440 -2.301 1.00 0.00 C ATOM 1486 C PRO A 419 97.439 5.554 -3.257 1.00 0.00 C ATOM 1487 O PRO A 419 96.374 5.045 -2.905 1.00 0.00 O ATOM 1488 CB PRO A 419 99.232 5.618 -1.473 1.00 0.00 C ATOM 1489 CG PRO A 419 99.326 6.339 -0.168 1.00 0.00 C ATOM 1490 CD PRO A 419 97.939 6.940 0.085 1.00 0.00 C ATOM 0 HA PRO A 419 98.719 7.175 -2.944 1.00 0.00 H new ATOM 0 HB2 PRO A 419 98.884 4.594 -1.336 1.00 0.00 H new ATOM 0 HB3 PRO A 419 100.203 5.561 -1.965 1.00 0.00 H new ATOM 0 HG2 PRO A 419 99.608 5.657 0.635 1.00 0.00 H new ATOM 0 HG3 PRO A 419 100.087 7.118 -0.207 1.00 0.00 H new ATOM 0 HD2 PRO A 419 97.332 6.293 0.718 1.00 0.00 H new ATOM 0 HD3 PRO A 419 98.006 7.905 0.588 1.00 0.00 H new ATOM 1498 N LEU A 420 97.961 5.375 -4.465 1.00 0.00 N ATOM 1499 CA LEU A 420 97.289 4.549 -5.460 1.00 0.00 C ATOM 1500 C LEU A 420 97.212 3.101 -4.986 1.00 0.00 C ATOM 1501 O LEU A 420 96.588 2.258 -5.632 1.00 0.00 O ATOM 1502 CB LEU A 420 98.039 4.611 -6.793 1.00 0.00 C ATOM 1503 CG LEU A 420 98.401 6.063 -7.119 1.00 0.00 C ATOM 1504 CD1 LEU A 420 99.115 6.117 -8.471 1.00 0.00 C ATOM 1505 CD2 LEU A 420 97.126 6.913 -7.179 1.00 0.00 C ATOM 0 H LEU A 420 98.840 5.787 -4.777 1.00 0.00 H new ATOM 0 HA LEU A 420 96.278 4.933 -5.598 1.00 0.00 H new ATOM 0 HB2 LEU A 420 98.943 4.004 -6.740 1.00 0.00 H new ATOM 0 HB3 LEU A 420 97.421 4.194 -7.588 1.00 0.00 H new ATOM 0 HG LEU A 420 99.058 6.455 -6.343 1.00 0.00 H new ATOM 0 HD11 LEU A 420 99.374 7.150 -8.705 1.00 0.00 H new ATOM 0 HD12 LEU A 420 100.024 5.517 -8.427 1.00 0.00 H new ATOM 0 HD13 LEU A 420 98.457 5.723 -9.246 1.00 0.00 H new ATOM 0 HD21 LEU A 420 97.388 7.945 -7.411 1.00 0.00 H new ATOM 0 HD22 LEU A 420 96.465 6.523 -7.953 1.00 0.00 H new ATOM 0 HD23 LEU A 420 96.618 6.875 -6.215 1.00 0.00 H new ATOM 1517 N ARG A 421 97.850 2.820 -3.856 1.00 0.00 N ATOM 1518 CA ARG A 421 97.851 1.469 -3.305 1.00 0.00 C ATOM 1519 C ARG A 421 96.434 1.044 -2.922 1.00 0.00 C ATOM 1520 O ARG A 421 96.209 -0.094 -2.511 1.00 0.00 O ATOM 1521 CB ARG A 421 98.761 1.409 -2.068 1.00 0.00 C ATOM 1522 CG ARG A 421 100.242 1.379 -2.497 1.00 0.00 C ATOM 1523 CD ARG A 421 100.695 -0.067 -2.737 1.00 0.00 C ATOM 1524 NE ARG A 421 100.896 -0.749 -1.462 1.00 0.00 N ATOM 1525 CZ ARG A 421 100.842 -2.075 -1.374 1.00 0.00 C ATOM 1526 NH1 ARG A 421 100.604 -2.792 -2.437 1.00 0.00 N ATOM 1527 NH2 ARG A 421 101.026 -2.660 -0.221 1.00 0.00 N ATOM 0 H ARG A 421 98.370 3.504 -3.306 1.00 0.00 H new ATOM 0 HA ARG A 421 98.228 0.786 -4.066 1.00 0.00 H new ATOM 0 HB2 ARG A 421 98.577 2.273 -1.430 1.00 0.00 H new ATOM 0 HB3 ARG A 421 98.528 0.522 -1.478 1.00 0.00 H new ATOM 0 HG2 ARG A 421 100.377 1.966 -3.406 1.00 0.00 H new ATOM 0 HG3 ARG A 421 100.861 1.838 -1.726 1.00 0.00 H new ATOM 0 HD2 ARG A 421 99.948 -0.597 -3.328 1.00 0.00 H new ATOM 0 HD3 ARG A 421 101.621 -0.075 -3.312 1.00 0.00 H new ATOM 0 HE ARG A 421 101.081 -0.199 -0.623 1.00 0.00 H new ATOM 0 HH11 ARG A 421 100.459 -2.336 -3.338 1.00 0.00 H new ATOM 0 HH12 ARG A 421 100.563 -3.809 -2.368 1.00 0.00 H new ATOM 0 HH21 ARG A 421 101.211 -2.100 0.611 1.00 0.00 H new ATOM 0 HH22 ARG A 421 100.985 -3.677 -0.153 1.00 0.00 H new ATOM 1541 N GLN A 422 95.480 1.966 -3.059 1.00 0.00 N ATOM 1542 CA GLN A 422 94.082 1.677 -2.725 1.00 0.00 C ATOM 1543 C GLN A 422 93.252 1.503 -3.989 1.00 0.00 C ATOM 1544 O GLN A 422 92.760 0.411 -4.271 1.00 0.00 O ATOM 1545 CB GLN A 422 93.499 2.816 -1.884 1.00 0.00 C ATOM 1546 CG GLN A 422 94.081 2.758 -0.471 1.00 0.00 C ATOM 1547 CD GLN A 422 93.509 1.560 0.280 1.00 0.00 C ATOM 1548 OE1 GLN A 422 92.291 1.390 0.344 1.00 0.00 O ATOM 1549 NE2 GLN A 422 94.319 0.715 0.855 1.00 0.00 N ATOM 0 H GLN A 422 95.647 2.914 -3.397 1.00 0.00 H new ATOM 0 HA GLN A 422 94.051 0.749 -2.154 1.00 0.00 H new ATOM 0 HB2 GLN A 422 93.730 3.777 -2.344 1.00 0.00 H new ATOM 0 HB3 GLN A 422 92.413 2.734 -1.845 1.00 0.00 H new ATOM 0 HG2 GLN A 422 95.167 2.683 -0.519 1.00 0.00 H new ATOM 0 HG3 GLN A 422 93.849 3.678 0.065 1.00 0.00 H new ATOM 0 HE21 GLN A 422 95.328 0.858 0.801 1.00 0.00 H new ATOM 0 HE22 GLN A 422 93.944 -0.089 1.359 1.00 0.00 H new ATOM 1558 N VAL A 423 93.098 2.581 -4.752 1.00 0.00 N ATOM 1559 CA VAL A 423 92.322 2.524 -5.987 1.00 0.00 C ATOM 1560 C VAL A 423 92.661 1.262 -6.776 1.00 0.00 C ATOM 1561 O VAL A 423 91.909 0.849 -7.657 1.00 0.00 O ATOM 1562 CB VAL A 423 92.613 3.758 -6.842 1.00 0.00 C ATOM 1563 CG1 VAL A 423 94.067 3.719 -7.320 1.00 0.00 C ATOM 1564 CG2 VAL A 423 91.678 3.770 -8.053 1.00 0.00 C ATOM 0 H VAL A 423 93.496 3.496 -4.540 1.00 0.00 H new ATOM 0 HA VAL A 423 91.263 2.502 -5.729 1.00 0.00 H new ATOM 0 HB VAL A 423 92.451 4.657 -6.248 1.00 0.00 H new ATOM 0 HG11 VAL A 423 94.273 4.599 -7.929 1.00 0.00 H new ATOM 0 HG12 VAL A 423 94.733 3.710 -6.458 1.00 0.00 H new ATOM 0 HG13 VAL A 423 94.231 2.820 -7.914 1.00 0.00 H new ATOM 0 HG21 VAL A 423 91.884 4.649 -8.663 1.00 0.00 H new ATOM 0 HG22 VAL A 423 91.840 2.870 -8.646 1.00 0.00 H new ATOM 0 HG23 VAL A 423 90.643 3.799 -7.713 1.00 0.00 H new ATOM 1574 N GLN A 424 93.796 0.651 -6.446 1.00 0.00 N ATOM 1575 CA GLN A 424 94.218 -0.565 -7.126 1.00 0.00 C ATOM 1576 C GLN A 424 93.087 -1.587 -7.125 1.00 0.00 C ATOM 1577 O GLN A 424 93.151 -2.603 -7.816 1.00 0.00 O ATOM 1578 CB GLN A 424 95.449 -1.157 -6.436 1.00 0.00 C ATOM 1579 CG GLN A 424 95.150 -1.387 -4.953 1.00 0.00 C ATOM 1580 CD GLN A 424 96.347 -2.049 -4.279 1.00 0.00 C ATOM 1581 OE1 GLN A 424 97.384 -1.414 -4.088 1.00 0.00 O ATOM 1582 NE2 GLN A 424 96.266 -3.298 -3.906 1.00 0.00 N ATOM 0 H GLN A 424 94.433 0.976 -5.719 1.00 0.00 H new ATOM 0 HA GLN A 424 94.473 -0.316 -8.156 1.00 0.00 H new ATOM 0 HB2 GLN A 424 95.726 -2.098 -6.911 1.00 0.00 H new ATOM 0 HB3 GLN A 424 96.298 -0.482 -6.545 1.00 0.00 H new ATOM 0 HG2 GLN A 424 94.927 -0.437 -4.467 1.00 0.00 H new ATOM 0 HG3 GLN A 424 94.267 -2.016 -4.844 1.00 0.00 H new ATOM 0 HE21 GLN A 424 95.406 -3.823 -4.065 1.00 0.00 H new ATOM 0 HE22 GLN A 424 97.063 -3.748 -3.456 1.00 0.00 H new