USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=28 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 390 SER OG : rot 49:sc= 0.463 USER MOD Set 1.2: A 393 TYR OH : rot 135:sc= 0.0175 USER MOD Set 2.1: A 358 TYR OH : rot 180:sc= 0.392 USER MOD Set 2.2: A 362 ASN :FLIP amide:sc= -2.45! C(o=-4.6!,f=-2.1!) USER MOD Set 2.3: A 366 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 346 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 347 HIS : no HD1:sc= -0.112 X(o=-0.11,f=0) USER MOD Single : A 345 SER OG : rot -32:sc= 0.599 USER MOD Single : A 348 TYR OH : rot 180:sc= 0 USER MOD Single : A 349 THR OG1 : rot 26:sc= -0.919 USER MOD Single : A 351 GLN : amide:sc= -3.91! C(o=-3.9!,f=-6.1!) USER MOD Single : A 353 SER OG : rot 180:sc= -0.66 USER MOD Single : A 354 SER OG : rot 180:sc= 0 USER MOD Single : A 355 SER OG : rot 65:sc= 0.629 USER MOD Single : A 356 SER OG : rot 180:sc=-0.00208 USER MOD Single : A 357 ASN : amide:sc= -1.54 X(o=-1.5,f=-1.5) USER MOD Single : A 360 ASN :FLIP amide:sc= -0.146 F(o=-1.5!,f=-0.15) USER MOD Single : A 367 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 369 ASN : amide:sc= -0.209 X(o=-0.21,f=-0.15) USER MOD Single : A 371 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.0313) USER MOD Single : A 372 ASN : amide:sc= -0.047 X(o=-0.047,f=0) USER MOD Single : A 373 TYR OH : rot 180:sc= 0 USER MOD Single : A 376 TYR OH : rot -26:sc= -1.19 USER MOD Single : A 378 THR OG1 : rot -94:sc= 1.41 USER MOD Single : A 379 THR OG1 : rot 48:sc= 0.233 USER MOD Single : A 381 ASN :FLIP amide:sc= 0.284 F(o=-0.84,f=0.28) USER MOD Single : A 383 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 386 TYR OH : rot 180:sc= 0 USER MOD Single : A 395 SER OG : rot -43:sc= 0.535 USER MOD Single : A 396 LYS NZ :NH3+ -164:sc=-0.00788 (180deg=-0.258) USER MOD Single : A 400 LYS NZ :NH3+ -134:sc= -3.27! (180deg=-5.65!) USER MOD Single : A 401 LYS NZ :NH3+ -149:sc= -0.054 (180deg=-0.643) USER MOD Single : A 404 SER OG : rot 180:sc= 0 USER MOD Single : A 405 THR OG1 : rot -24:sc= 0.693 USER MOD Single : A 411 GLN : amide:sc= -0.902 X(o=-0.9,f=-0.73) USER MOD Single : A 413 LYS NZ :NH3+ -178:sc= -2.54! (180deg=-2.62) USER MOD Single : A 414 ASN : amide:sc= -0.0932 X(o=-0.093,f=-0.19) USER MOD Single : A 418 LYS NZ :NH3+ 148:sc=-0.00628 (180deg=-1.27) USER MOD Single : A 422 GLN : amide:sc= -0.747 K(o=-0.75,f=-3.1) USER MOD Single : A 424 GLN : amide:sc= -1.46 X(o=-1.5,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 321 N SER A 345 103.550 2.122 -5.318 1.00 0.00 N ATOM 322 CA SER A 345 102.627 2.852 -4.457 1.00 0.00 C ATOM 323 C SER A 345 103.336 4.015 -3.773 1.00 0.00 C ATOM 324 O SER A 345 102.711 4.812 -3.073 1.00 0.00 O ATOM 325 CB SER A 345 102.047 1.913 -3.400 1.00 0.00 C ATOM 326 OG SER A 345 101.146 2.637 -2.572 1.00 0.00 O ATOM 0 HA SER A 345 101.820 3.247 -5.074 1.00 0.00 H new ATOM 0 HB2 SER A 345 101.530 1.082 -3.880 1.00 0.00 H new ATOM 0 HB3 SER A 345 102.849 1.485 -2.798 1.00 0.00 H new ATOM 0 HG SER A 345 101.451 3.565 -2.490 1.00 0.00 H new ATOM 332 N SER A 346 104.646 4.107 -3.978 1.00 0.00 N ATOM 333 CA SER A 346 105.431 5.178 -3.375 1.00 0.00 C ATOM 334 C SER A 346 104.830 6.537 -3.714 1.00 0.00 C ATOM 335 O SER A 346 104.973 7.497 -2.957 1.00 0.00 O ATOM 336 CB SER A 346 106.872 5.115 -3.879 1.00 0.00 C ATOM 337 OG SER A 346 106.870 5.025 -5.297 1.00 0.00 O ATOM 0 H SER A 346 105.183 3.458 -4.553 1.00 0.00 H new ATOM 0 HA SER A 346 105.419 5.048 -2.293 1.00 0.00 H new ATOM 0 HB2 SER A 346 107.420 6.002 -3.560 1.00 0.00 H new ATOM 0 HB3 SER A 346 107.382 4.253 -3.449 1.00 0.00 H new ATOM 0 HG SER A 346 107.793 4.986 -5.624 1.00 0.00 H new ATOM 343 N HIS A 347 104.155 6.612 -4.857 1.00 0.00 N ATOM 344 CA HIS A 347 103.534 7.860 -5.287 1.00 0.00 C ATOM 345 C HIS A 347 102.344 8.202 -4.397 1.00 0.00 C ATOM 346 O HIS A 347 101.597 7.320 -3.974 1.00 0.00 O ATOM 347 CB HIS A 347 103.066 7.739 -6.738 1.00 0.00 C ATOM 348 CG HIS A 347 104.259 7.654 -7.652 1.00 0.00 C ATOM 349 ND1 HIS A 347 104.127 7.511 -9.025 1.00 0.00 N ATOM 350 CD2 HIS A 347 105.611 7.691 -7.408 1.00 0.00 C ATOM 351 CE1 HIS A 347 105.365 7.467 -9.549 1.00 0.00 C ATOM 352 NE2 HIS A 347 106.306 7.572 -8.607 1.00 0.00 N ATOM 0 H HIS A 347 104.025 5.829 -5.498 1.00 0.00 H new ATOM 0 HA HIS A 347 104.274 8.656 -5.208 1.00 0.00 H new ATOM 0 HB2 HIS A 347 102.442 6.853 -6.856 1.00 0.00 H new ATOM 0 HB3 HIS A 347 102.452 8.599 -7.005 1.00 0.00 H new ATOM 0 HD2 HIS A 347 106.065 7.796 -6.434 1.00 0.00 H new ATOM 0 HE1 HIS A 347 105.573 7.360 -10.603 1.00 0.00 H new ATOM 0 HE2 HIS A 347 107.317 7.566 -8.739 1.00 0.00 H new ATOM 361 N TYR A 348 102.169 9.495 -4.122 1.00 0.00 N ATOM 362 CA TYR A 348 101.061 9.964 -3.285 1.00 0.00 C ATOM 363 C TYR A 348 100.058 10.743 -4.134 1.00 0.00 C ATOM 364 O TYR A 348 100.376 11.182 -5.239 1.00 0.00 O ATOM 365 CB TYR A 348 101.602 10.869 -2.166 1.00 0.00 C ATOM 366 CG TYR A 348 102.151 10.023 -1.040 1.00 0.00 C ATOM 367 CD1 TYR A 348 103.456 9.521 -1.111 1.00 0.00 C ATOM 368 CD2 TYR A 348 101.352 9.740 0.074 1.00 0.00 C ATOM 369 CE1 TYR A 348 103.962 8.737 -0.067 1.00 0.00 C ATOM 370 CE2 TYR A 348 101.857 8.956 1.118 1.00 0.00 C ATOM 371 CZ TYR A 348 103.162 8.455 1.048 1.00 0.00 C ATOM 372 OH TYR A 348 103.660 7.682 2.076 1.00 0.00 O ATOM 0 H TYR A 348 102.779 10.237 -4.466 1.00 0.00 H new ATOM 0 HA TYR A 348 100.561 9.102 -2.843 1.00 0.00 H new ATOM 0 HB2 TYR A 348 102.384 11.519 -2.558 1.00 0.00 H new ATOM 0 HB3 TYR A 348 100.807 11.515 -1.793 1.00 0.00 H new ATOM 0 HD1 TYR A 348 104.072 9.738 -1.971 1.00 0.00 H new ATOM 0 HD2 TYR A 348 100.345 10.127 0.128 1.00 0.00 H new ATOM 0 HE1 TYR A 348 104.969 8.350 -0.121 1.00 0.00 H new ATOM 0 HE2 TYR A 348 101.240 8.738 1.977 1.00 0.00 H new ATOM 0 HH TYR A 348 102.977 7.584 2.772 1.00 0.00 H new ATOM 382 N THR A 349 98.848 10.910 -3.609 1.00 0.00 N ATOM 383 CA THR A 349 97.803 11.636 -4.322 1.00 0.00 C ATOM 384 C THR A 349 96.780 12.192 -3.335 1.00 0.00 C ATOM 385 O THR A 349 95.905 11.473 -2.855 1.00 0.00 O ATOM 386 CB THR A 349 97.111 10.713 -5.336 1.00 0.00 C ATOM 387 OG1 THR A 349 96.019 11.405 -5.926 1.00 0.00 O ATOM 388 CG2 THR A 349 96.591 9.441 -4.648 1.00 0.00 C ATOM 0 H THR A 349 98.568 10.554 -2.695 1.00 0.00 H new ATOM 0 HA THR A 349 98.260 12.467 -4.860 1.00 0.00 H new ATOM 0 HB THR A 349 97.834 10.426 -6.099 1.00 0.00 H new ATOM 0 HG1 THR A 349 96.186 12.370 -5.892 1.00 0.00 H new ATOM 0 HG21 THR A 349 96.105 8.802 -5.385 1.00 0.00 H new ATOM 0 HG22 THR A 349 97.426 8.904 -4.197 1.00 0.00 H new ATOM 0 HG23 THR A 349 95.874 9.713 -3.874 1.00 0.00 H new ATOM 396 N LEU A 350 96.906 13.478 -3.028 1.00 0.00 N ATOM 397 CA LEU A 350 95.995 14.123 -2.088 1.00 0.00 C ATOM 398 C LEU A 350 94.552 14.021 -2.580 1.00 0.00 C ATOM 399 O LEU A 350 94.262 13.327 -3.555 1.00 0.00 O ATOM 400 CB LEU A 350 96.386 15.599 -1.911 1.00 0.00 C ATOM 401 CG LEU A 350 97.586 15.731 -0.953 1.00 0.00 C ATOM 402 CD1 LEU A 350 97.171 15.417 0.499 1.00 0.00 C ATOM 403 CD2 LEU A 350 98.702 14.773 -1.390 1.00 0.00 C ATOM 0 H LEU A 350 97.624 14.091 -3.413 1.00 0.00 H new ATOM 0 HA LEU A 350 96.069 13.613 -1.127 1.00 0.00 H new ATOM 0 HB2 LEU A 350 96.637 16.033 -2.879 1.00 0.00 H new ATOM 0 HB3 LEU A 350 95.538 16.161 -1.520 1.00 0.00 H new ATOM 0 HG LEU A 350 97.946 16.759 -0.992 1.00 0.00 H new ATOM 0 HD11 LEU A 350 98.036 15.517 1.154 1.00 0.00 H new ATOM 0 HD12 LEU A 350 96.394 16.114 0.814 1.00 0.00 H new ATOM 0 HD13 LEU A 350 96.789 14.398 0.556 1.00 0.00 H new ATOM 0 HD21 LEU A 350 99.550 14.868 -0.711 1.00 0.00 H new ATOM 0 HD22 LEU A 350 98.332 13.748 -1.367 1.00 0.00 H new ATOM 0 HD23 LEU A 350 99.019 15.021 -2.403 1.00 0.00 H new ATOM 415 N GLN A 351 93.653 14.721 -1.890 1.00 0.00 N ATOM 416 CA GLN A 351 92.230 14.720 -2.240 1.00 0.00 C ATOM 417 C GLN A 351 91.737 16.153 -2.426 1.00 0.00 C ATOM 418 O GLN A 351 91.941 17.008 -1.563 1.00 0.00 O ATOM 419 CB GLN A 351 91.428 14.034 -1.115 1.00 0.00 C ATOM 420 CG GLN A 351 91.378 12.507 -1.337 1.00 0.00 C ATOM 421 CD GLN A 351 90.159 12.132 -2.179 1.00 0.00 C ATOM 422 OE1 GLN A 351 89.583 12.987 -2.850 1.00 0.00 O ATOM 423 NE2 GLN A 351 89.726 10.901 -2.175 1.00 0.00 N ATOM 0 H GLN A 351 93.884 15.299 -1.082 1.00 0.00 H new ATOM 0 HA GLN A 351 92.089 14.175 -3.173 1.00 0.00 H new ATOM 0 HB2 GLN A 351 91.886 14.252 -0.150 1.00 0.00 H new ATOM 0 HB3 GLN A 351 90.415 14.436 -1.086 1.00 0.00 H new ATOM 0 HG2 GLN A 351 92.289 12.175 -1.836 1.00 0.00 H new ATOM 0 HG3 GLN A 351 91.336 11.994 -0.376 1.00 0.00 H new ATOM 0 HE21 GLN A 351 90.205 10.194 -1.618 1.00 0.00 H new ATOM 0 HE22 GLN A 351 88.908 10.646 -2.729 1.00 0.00 H new ATOM 432 N LEU A 352 91.082 16.410 -3.554 1.00 0.00 N ATOM 433 CA LEU A 352 90.557 17.743 -3.840 1.00 0.00 C ATOM 434 C LEU A 352 89.147 17.885 -3.270 1.00 0.00 C ATOM 435 O LEU A 352 88.674 18.996 -3.034 1.00 0.00 O ATOM 436 CB LEU A 352 90.531 17.983 -5.356 1.00 0.00 C ATOM 437 CG LEU A 352 91.938 18.334 -5.849 1.00 0.00 C ATOM 438 CD1 LEU A 352 92.916 17.223 -5.455 1.00 0.00 C ATOM 439 CD2 LEU A 352 91.921 18.486 -7.373 1.00 0.00 C ATOM 0 H LEU A 352 90.902 15.718 -4.282 1.00 0.00 H new ATOM 0 HA LEU A 352 91.206 18.484 -3.372 1.00 0.00 H new ATOM 0 HB2 LEU A 352 90.168 17.092 -5.868 1.00 0.00 H new ATOM 0 HB3 LEU A 352 89.840 18.792 -5.594 1.00 0.00 H new ATOM 0 HG LEU A 352 92.257 19.271 -5.393 1.00 0.00 H new ATOM 0 HD11 LEU A 352 93.916 17.476 -5.808 1.00 0.00 H new ATOM 0 HD12 LEU A 352 92.930 17.118 -4.370 1.00 0.00 H new ATOM 0 HD13 LEU A 352 92.600 16.283 -5.907 1.00 0.00 H new ATOM 0 HD21 LEU A 352 92.922 18.736 -7.725 1.00 0.00 H new ATOM 0 HD22 LEU A 352 91.599 17.549 -7.828 1.00 0.00 H new ATOM 0 HD23 LEU A 352 91.229 19.281 -7.652 1.00 0.00 H new ATOM 451 N SER A 353 88.486 16.752 -3.045 1.00 0.00 N ATOM 452 CA SER A 353 87.134 16.763 -2.498 1.00 0.00 C ATOM 453 C SER A 353 86.617 15.342 -2.302 1.00 0.00 C ATOM 454 O SER A 353 87.234 14.377 -2.754 1.00 0.00 O ATOM 455 CB SER A 353 86.192 17.513 -3.437 1.00 0.00 C ATOM 456 OG SER A 353 84.847 17.279 -3.039 1.00 0.00 O ATOM 0 H SER A 353 88.862 15.822 -3.232 1.00 0.00 H new ATOM 0 HA SER A 353 87.167 17.266 -1.532 1.00 0.00 H new ATOM 0 HB2 SER A 353 86.410 18.581 -3.413 1.00 0.00 H new ATOM 0 HB3 SER A 353 86.343 17.180 -4.464 1.00 0.00 H new ATOM 0 HG SER A 353 84.240 17.761 -3.639 1.00 0.00 H new ATOM 462 N SER A 354 85.476 15.223 -1.627 1.00 0.00 N ATOM 463 CA SER A 354 84.871 13.918 -1.372 1.00 0.00 C ATOM 464 C SER A 354 83.355 14.053 -1.259 1.00 0.00 C ATOM 465 O SER A 354 82.844 15.102 -0.869 1.00 0.00 O ATOM 466 CB SER A 354 85.430 13.327 -0.078 1.00 0.00 C ATOM 467 OG SER A 354 84.922 14.057 1.030 1.00 0.00 O ATOM 0 H SER A 354 84.953 16.012 -1.248 1.00 0.00 H new ATOM 0 HA SER A 354 85.109 13.255 -2.204 1.00 0.00 H new ATOM 0 HB2 SER A 354 85.151 12.277 0.006 1.00 0.00 H new ATOM 0 HB3 SER A 354 86.519 13.368 -0.087 1.00 0.00 H new ATOM 0 HG SER A 354 85.277 13.679 1.861 1.00 0.00 H new ATOM 473 N SER A 355 82.643 12.985 -1.601 1.00 0.00 N ATOM 474 CA SER A 355 81.186 12.991 -1.533 1.00 0.00 C ATOM 475 C SER A 355 80.628 11.690 -2.117 1.00 0.00 C ATOM 476 O SER A 355 81.375 10.746 -2.374 1.00 0.00 O ATOM 477 CB SER A 355 80.631 14.217 -2.289 1.00 0.00 C ATOM 478 OG SER A 355 80.172 15.173 -1.342 1.00 0.00 O ATOM 0 H SER A 355 83.049 12.108 -1.927 1.00 0.00 H new ATOM 0 HA SER A 355 80.874 13.058 -0.491 1.00 0.00 H new ATOM 0 HB2 SER A 355 81.406 14.653 -2.920 1.00 0.00 H new ATOM 0 HB3 SER A 355 79.816 13.917 -2.947 1.00 0.00 H new ATOM 0 HG SER A 355 80.931 15.507 -0.820 1.00 0.00 H new ATOM 484 N SER A 356 79.310 11.647 -2.317 1.00 0.00 N ATOM 485 CA SER A 356 78.656 10.456 -2.865 1.00 0.00 C ATOM 486 C SER A 356 77.612 10.847 -3.905 1.00 0.00 C ATOM 487 O SER A 356 76.494 10.331 -3.901 1.00 0.00 O ATOM 488 CB SER A 356 77.984 9.668 -1.741 1.00 0.00 C ATOM 489 OG SER A 356 76.924 10.442 -1.195 1.00 0.00 O ATOM 0 H SER A 356 78.676 12.419 -2.109 1.00 0.00 H new ATOM 0 HA SER A 356 79.415 9.836 -3.343 1.00 0.00 H new ATOM 0 HB2 SER A 356 77.600 8.722 -2.123 1.00 0.00 H new ATOM 0 HB3 SER A 356 78.711 9.427 -0.965 1.00 0.00 H new ATOM 0 HG SER A 356 76.489 9.939 -0.475 1.00 0.00 H new ATOM 495 N ASN A 357 77.983 11.764 -4.794 1.00 0.00 N ATOM 496 CA ASN A 357 77.069 12.222 -5.837 1.00 0.00 C ATOM 497 C ASN A 357 77.848 12.771 -7.029 1.00 0.00 C ATOM 498 O ASN A 357 78.682 13.664 -6.881 1.00 0.00 O ATOM 499 CB ASN A 357 76.143 13.306 -5.280 1.00 0.00 C ATOM 500 CG ASN A 357 75.097 12.680 -4.365 1.00 0.00 C ATOM 501 OD1 ASN A 357 75.085 12.942 -3.162 1.00 0.00 O ATOM 502 ND2 ASN A 357 74.211 11.863 -4.866 1.00 0.00 N ATOM 0 H ASN A 357 78.904 12.202 -4.814 1.00 0.00 H new ATOM 0 HA ASN A 357 76.472 11.374 -6.171 1.00 0.00 H new ATOM 0 HB2 ASN A 357 76.725 14.045 -4.729 1.00 0.00 H new ATOM 0 HB3 ASN A 357 75.653 13.833 -6.099 1.00 0.00 H new ATOM 0 HD21 ASN A 357 73.507 11.440 -4.261 1.00 0.00 H new ATOM 0 HD22 ASN A 357 74.222 11.647 -5.863 1.00 0.00 H new ATOM 509 N TYR A 358 77.568 12.230 -8.211 1.00 0.00 N ATOM 510 CA TYR A 358 78.245 12.670 -9.425 1.00 0.00 C ATOM 511 C TYR A 358 77.743 14.045 -9.852 1.00 0.00 C ATOM 512 O TYR A 358 78.530 14.972 -10.047 1.00 0.00 O ATOM 513 CB TYR A 358 78.000 11.663 -10.551 1.00 0.00 C ATOM 514 CG TYR A 358 78.647 12.155 -11.823 1.00 0.00 C ATOM 515 CD1 TYR A 358 77.974 13.072 -12.642 1.00 0.00 C ATOM 516 CD2 TYR A 358 79.919 11.696 -12.188 1.00 0.00 C ATOM 517 CE1 TYR A 358 78.572 13.528 -13.822 1.00 0.00 C ATOM 518 CE2 TYR A 358 80.517 12.152 -13.368 1.00 0.00 C ATOM 519 CZ TYR A 358 79.843 13.068 -14.185 1.00 0.00 C ATOM 520 OH TYR A 358 80.432 13.518 -15.350 1.00 0.00 O ATOM 0 H TYR A 358 76.881 11.490 -8.353 1.00 0.00 H new ATOM 0 HA TYR A 358 79.314 12.735 -9.220 1.00 0.00 H new ATOM 0 HB2 TYR A 358 78.408 10.690 -10.277 1.00 0.00 H new ATOM 0 HB3 TYR A 358 76.929 11.528 -10.705 1.00 0.00 H new ATOM 0 HD1 TYR A 358 76.993 13.427 -12.362 1.00 0.00 H new ATOM 0 HD2 TYR A 358 80.439 10.989 -11.558 1.00 0.00 H new ATOM 0 HE1 TYR A 358 78.053 14.235 -14.452 1.00 0.00 H new ATOM 0 HE2 TYR A 358 81.498 11.798 -13.648 1.00 0.00 H new ATOM 0 HH TYR A 358 81.313 13.102 -15.453 1.00 0.00 H new ATOM 530 N ASP A 359 76.428 14.171 -9.996 1.00 0.00 N ATOM 531 CA ASP A 359 75.832 15.439 -10.400 1.00 0.00 C ATOM 532 C ASP A 359 76.333 16.571 -9.511 1.00 0.00 C ATOM 533 O ASP A 359 76.729 17.630 -10.000 1.00 0.00 O ATOM 534 CB ASP A 359 74.307 15.352 -10.310 1.00 0.00 C ATOM 535 CG ASP A 359 73.677 16.628 -10.859 1.00 0.00 C ATOM 536 OD1 ASP A 359 73.830 16.877 -12.043 1.00 0.00 O ATOM 537 OD2 ASP A 359 73.053 17.336 -10.087 1.00 0.00 O ATOM 0 H ASP A 359 75.759 13.417 -9.840 1.00 0.00 H new ATOM 0 HA ASP A 359 76.122 15.645 -11.430 1.00 0.00 H new ATOM 0 HB2 ASP A 359 73.950 14.489 -10.873 1.00 0.00 H new ATOM 0 HB3 ASP A 359 74.004 15.204 -9.274 1.00 0.00 H new ATOM 542 N ASN A 360 76.311 16.341 -8.203 1.00 0.00 N ATOM 543 CA ASN A 360 76.766 17.349 -7.252 1.00 0.00 C ATOM 544 C ASN A 360 78.245 17.656 -7.462 1.00 0.00 C ATOM 545 O ASN A 360 78.666 18.810 -7.383 1.00 0.00 O ATOM 546 CB ASN A 360 76.543 16.856 -5.820 1.00 0.00 C ATOM 547 CG ASN A 360 76.638 18.026 -4.844 1.00 0.00 C ATOM 548 OD1 ASN A 360 76.969 19.208 -5.287 1.00 0.00 O flip ATOM 549 ND2 ASN A 360 76.403 17.857 -3.648 1.00 0.00 N flip ATOM 0 H ASN A 360 75.986 15.472 -7.779 1.00 0.00 H new ATOM 0 HA ASN A 360 76.191 18.260 -7.416 1.00 0.00 H new ATOM 0 HB2 ASN A 360 75.565 16.382 -5.738 1.00 0.00 H new ATOM 0 HB3 ASN A 360 77.286 16.100 -5.567 1.00 0.00 H new ATOM 0 HD21 ASN A 360 76.145 16.932 -3.305 1.00 0.00 H new ATOM 0 HD22 ASN A 360 76.467 18.642 -3.000 1.00 0.00 H new ATOM 556 N LEU A 361 79.030 16.616 -7.730 1.00 0.00 N ATOM 557 CA LEU A 361 80.460 16.793 -7.948 1.00 0.00 C ATOM 558 C LEU A 361 80.709 17.646 -9.190 1.00 0.00 C ATOM 559 O LEU A 361 81.602 18.491 -9.201 1.00 0.00 O ATOM 560 CB LEU A 361 81.146 15.421 -8.096 1.00 0.00 C ATOM 561 CG LEU A 361 82.601 15.585 -8.630 1.00 0.00 C ATOM 562 CD1 LEU A 361 83.552 14.578 -7.945 1.00 0.00 C ATOM 563 CD2 LEU A 361 82.633 15.362 -10.159 1.00 0.00 C ATOM 0 H LEU A 361 78.703 15.652 -7.801 1.00 0.00 H new ATOM 0 HA LEU A 361 80.884 17.308 -7.085 1.00 0.00 H new ATOM 0 HB2 LEU A 361 81.163 14.912 -7.132 1.00 0.00 H new ATOM 0 HB3 LEU A 361 80.572 14.794 -8.778 1.00 0.00 H new ATOM 0 HG LEU A 361 82.935 16.597 -8.402 1.00 0.00 H new ATOM 0 HD11 LEU A 361 84.562 14.710 -8.333 1.00 0.00 H new ATOM 0 HD12 LEU A 361 83.551 14.751 -6.869 1.00 0.00 H new ATOM 0 HD13 LEU A 361 83.215 13.562 -8.150 1.00 0.00 H new ATOM 0 HD21 LEU A 361 83.654 15.479 -10.522 1.00 0.00 H new ATOM 0 HD22 LEU A 361 82.279 14.357 -10.388 1.00 0.00 H new ATOM 0 HD23 LEU A 361 81.988 16.093 -10.647 1.00 0.00 H new ATOM 575 N ASN A 362 79.918 17.419 -10.234 1.00 0.00 N ATOM 576 CA ASN A 362 80.073 18.179 -11.470 1.00 0.00 C ATOM 577 C ASN A 362 79.838 19.664 -11.218 1.00 0.00 C ATOM 578 O ASN A 362 80.589 20.512 -11.701 1.00 0.00 O ATOM 579 CB ASN A 362 79.084 17.672 -12.523 1.00 0.00 C ATOM 580 CG ASN A 362 79.545 16.325 -13.072 1.00 0.00 C ATOM 581 OD1 ASN A 362 79.998 15.417 -12.251 1.00 0.00 O flip ATOM 582 ND2 ASN A 362 79.492 16.095 -14.279 1.00 0.00 N flip ATOM 0 H ASN A 362 79.172 16.724 -10.250 1.00 0.00 H new ATOM 0 HA ASN A 362 81.091 18.042 -11.835 1.00 0.00 H new ATOM 0 HB2 ASN A 362 78.092 17.573 -12.083 1.00 0.00 H new ATOM 0 HB3 ASN A 362 79.003 18.395 -13.334 1.00 0.00 H new ATOM 0 HD21 ASN A 362 79.138 16.806 -14.919 1.00 0.00 H new ATOM 0 HD22 ASN A 362 79.802 15.193 -14.640 1.00 0.00 H new ATOM 589 N GLY A 363 78.794 19.972 -10.456 1.00 0.00 N ATOM 590 CA GLY A 363 78.474 21.360 -10.144 1.00 0.00 C ATOM 591 C GLY A 363 79.657 22.051 -9.475 1.00 0.00 C ATOM 592 O GLY A 363 80.146 23.072 -9.957 1.00 0.00 O ATOM 0 H GLY A 363 78.160 19.286 -10.046 1.00 0.00 H new ATOM 0 HA2 GLY A 363 78.206 21.890 -11.058 1.00 0.00 H new ATOM 0 HA3 GLY A 363 77.605 21.399 -9.487 1.00 0.00 H new ATOM 596 N TRP A 364 80.111 21.487 -8.361 1.00 0.00 N ATOM 597 CA TRP A 364 81.237 22.056 -7.632 1.00 0.00 C ATOM 598 C TRP A 364 82.524 21.937 -8.445 1.00 0.00 C ATOM 599 O TRP A 364 83.265 22.908 -8.597 1.00 0.00 O ATOM 600 CB TRP A 364 81.406 21.335 -6.293 1.00 0.00 C ATOM 601 CG TRP A 364 82.589 21.895 -5.571 1.00 0.00 C ATOM 602 CD1 TRP A 364 82.607 23.072 -4.905 1.00 0.00 C ATOM 603 CD2 TRP A 364 83.921 21.325 -5.433 1.00 0.00 C ATOM 604 NE1 TRP A 364 83.869 23.262 -4.367 1.00 0.00 N ATOM 605 CE2 TRP A 364 84.714 22.211 -4.666 1.00 0.00 C ATOM 606 CE3 TRP A 364 84.513 20.136 -5.895 1.00 0.00 C ATOM 607 CZ2 TRP A 364 86.047 21.928 -4.368 1.00 0.00 C ATOM 608 CZ3 TRP A 364 85.854 19.848 -5.597 1.00 0.00 C ATOM 609 CH2 TRP A 364 86.619 20.742 -4.835 1.00 0.00 C ATOM 0 H TRP A 364 79.719 20.642 -7.946 1.00 0.00 H new ATOM 0 HA TRP A 364 81.034 23.112 -7.455 1.00 0.00 H new ATOM 0 HB2 TRP A 364 80.507 21.454 -5.688 1.00 0.00 H new ATOM 0 HB3 TRP A 364 81.540 20.266 -6.458 1.00 0.00 H new ATOM 0 HD1 TRP A 364 81.774 23.752 -4.809 1.00 0.00 H new ATOM 0 HE1 TRP A 364 84.141 24.077 -3.818 1.00 0.00 H new ATOM 0 HE3 TRP A 364 83.932 19.440 -6.483 1.00 0.00 H new ATOM 0 HZ2 TRP A 364 86.632 22.620 -3.781 1.00 0.00 H new ATOM 0 HZ3 TRP A 364 86.299 18.932 -5.957 1.00 0.00 H new ATOM 0 HH2 TRP A 364 87.650 20.514 -4.609 1.00 0.00 H new ATOM 620 N ALA A 365 82.783 20.744 -8.968 1.00 0.00 N ATOM 621 CA ALA A 365 83.984 20.517 -9.764 1.00 0.00 C ATOM 622 C ALA A 365 84.118 21.589 -10.842 1.00 0.00 C ATOM 623 O ALA A 365 85.201 22.134 -11.058 1.00 0.00 O ATOM 624 CB ALA A 365 83.929 19.133 -10.418 1.00 0.00 C ATOM 0 H ALA A 365 82.184 19.926 -8.857 1.00 0.00 H new ATOM 0 HA ALA A 365 84.850 20.568 -9.104 1.00 0.00 H new ATOM 0 HB1 ALA A 365 84.830 18.974 -11.010 1.00 0.00 H new ATOM 0 HB2 ALA A 365 83.863 18.368 -9.645 1.00 0.00 H new ATOM 0 HB3 ALA A 365 83.054 19.071 -11.065 1.00 0.00 H new ATOM 630 N LYS A 366 83.011 21.884 -11.518 1.00 0.00 N ATOM 631 CA LYS A 366 83.012 22.891 -12.574 1.00 0.00 C ATOM 632 C LYS A 366 82.924 24.297 -11.985 1.00 0.00 C ATOM 633 O LYS A 366 82.869 25.284 -12.720 1.00 0.00 O ATOM 634 CB LYS A 366 81.827 22.660 -13.514 1.00 0.00 C ATOM 635 CG LYS A 366 82.037 21.360 -14.293 1.00 0.00 C ATOM 636 CD LYS A 366 80.723 20.946 -14.959 1.00 0.00 C ATOM 637 CE LYS A 366 81.000 19.878 -16.019 1.00 0.00 C ATOM 638 NZ LYS A 366 79.713 19.271 -16.462 1.00 0.00 N ATOM 0 H LYS A 366 82.106 21.442 -11.354 1.00 0.00 H new ATOM 0 HA LYS A 366 83.946 22.802 -13.129 1.00 0.00 H new ATOM 0 HB2 LYS A 366 80.901 22.608 -12.942 1.00 0.00 H new ATOM 0 HB3 LYS A 366 81.728 23.498 -14.204 1.00 0.00 H new ATOM 0 HG2 LYS A 366 82.812 21.497 -15.047 1.00 0.00 H new ATOM 0 HG3 LYS A 366 82.381 20.573 -13.622 1.00 0.00 H new ATOM 0 HD2 LYS A 366 80.030 20.560 -14.211 1.00 0.00 H new ATOM 0 HD3 LYS A 366 80.247 21.813 -15.417 1.00 0.00 H new ATOM 0 HE2 LYS A 366 81.517 20.321 -16.870 1.00 0.00 H new ATOM 0 HE3 LYS A 366 81.656 19.109 -15.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 366 79.901 18.545 -17.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 366 79.236 18.835 -15.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 366 79.102 20.009 -16.866 1.00 0.00 H new ATOM 652 N LYS A 367 82.915 24.384 -10.655 1.00 0.00 N ATOM 653 CA LYS A 367 82.835 25.679 -9.975 1.00 0.00 C ATOM 654 C LYS A 367 84.231 26.196 -9.645 1.00 0.00 C ATOM 655 O LYS A 367 84.672 27.210 -10.184 1.00 0.00 O ATOM 656 CB LYS A 367 82.019 25.546 -8.685 1.00 0.00 C ATOM 657 CG LYS A 367 81.607 26.937 -8.193 1.00 0.00 C ATOM 658 CD LYS A 367 80.824 26.806 -6.885 1.00 0.00 C ATOM 659 CE LYS A 367 80.395 28.194 -6.407 1.00 0.00 C ATOM 660 NZ LYS A 367 79.408 28.055 -5.299 1.00 0.00 N ATOM 0 H LYS A 367 82.962 23.580 -10.030 1.00 0.00 H new ATOM 0 HA LYS A 367 82.344 26.388 -10.642 1.00 0.00 H new ATOM 0 HB2 LYS A 367 81.134 24.935 -8.864 1.00 0.00 H new ATOM 0 HB3 LYS A 367 82.608 25.038 -7.921 1.00 0.00 H new ATOM 0 HG2 LYS A 367 82.491 27.556 -8.039 1.00 0.00 H new ATOM 0 HG3 LYS A 367 80.996 27.434 -8.946 1.00 0.00 H new ATOM 0 HD2 LYS A 367 79.948 26.174 -7.034 1.00 0.00 H new ATOM 0 HD3 LYS A 367 81.440 26.323 -6.127 1.00 0.00 H new ATOM 0 HE2 LYS A 367 81.264 28.757 -6.066 1.00 0.00 H new ATOM 0 HE3 LYS A 367 79.955 28.755 -7.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 367 79.116 28.999 -4.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 367 78.575 27.533 -5.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 367 79.843 27.536 -4.510 1.00 0.00 H new ATOM 674 N GLU A 368 84.923 25.490 -8.754 1.00 0.00 N ATOM 675 CA GLU A 368 86.270 25.889 -8.360 1.00 0.00 C ATOM 676 C GLU A 368 87.203 25.879 -9.566 1.00 0.00 C ATOM 677 O GLU A 368 88.339 26.350 -9.490 1.00 0.00 O ATOM 678 CB GLU A 368 86.804 24.936 -7.290 1.00 0.00 C ATOM 679 CG GLU A 368 86.081 25.198 -5.967 1.00 0.00 C ATOM 680 CD GLU A 368 86.581 26.499 -5.349 1.00 0.00 C ATOM 681 OE1 GLU A 368 87.727 26.532 -4.930 1.00 0.00 O ATOM 682 OE2 GLU A 368 85.811 27.445 -5.305 1.00 0.00 O ATOM 0 H GLU A 368 84.577 24.647 -8.296 1.00 0.00 H new ATOM 0 HA GLU A 368 86.228 26.900 -7.956 1.00 0.00 H new ATOM 0 HB2 GLU A 368 86.653 23.902 -7.601 1.00 0.00 H new ATOM 0 HB3 GLU A 368 87.877 25.078 -7.164 1.00 0.00 H new ATOM 0 HG2 GLU A 368 85.006 25.256 -6.136 1.00 0.00 H new ATOM 0 HG3 GLU A 368 86.252 24.370 -5.279 1.00 0.00 H new ATOM 689 N ASN A 369 86.714 25.340 -10.677 1.00 0.00 N ATOM 690 CA ASN A 369 87.508 25.274 -11.900 1.00 0.00 C ATOM 691 C ASN A 369 88.762 24.432 -11.688 1.00 0.00 C ATOM 692 O ASN A 369 89.871 24.867 -11.992 1.00 0.00 O ATOM 693 CB ASN A 369 87.907 26.685 -12.342 1.00 0.00 C ATOM 694 CG ASN A 369 88.382 26.664 -13.791 1.00 0.00 C ATOM 695 OD1 ASN A 369 87.627 26.288 -14.688 1.00 0.00 O ATOM 696 ND2 ASN A 369 89.596 27.047 -14.075 1.00 0.00 N ATOM 0 H ASN A 369 85.777 24.944 -10.757 1.00 0.00 H new ATOM 0 HA ASN A 369 86.901 24.807 -12.676 1.00 0.00 H new ATOM 0 HB2 ASN A 369 87.058 27.361 -12.239 1.00 0.00 H new ATOM 0 HB3 ASN A 369 88.698 27.067 -11.697 1.00 0.00 H new ATOM 0 HD21 ASN A 369 89.921 27.035 -15.042 1.00 0.00 H new ATOM 0 HD22 ASN A 369 90.220 27.358 -13.330 1.00 0.00 H new ATOM 703 N LEU A 370 88.578 23.219 -11.173 1.00 0.00 N ATOM 704 CA LEU A 370 89.706 22.325 -10.938 1.00 0.00 C ATOM 705 C LEU A 370 90.422 22.037 -12.252 1.00 0.00 C ATOM 706 O LEU A 370 89.844 21.442 -13.162 1.00 0.00 O ATOM 707 CB LEU A 370 89.221 21.006 -10.324 1.00 0.00 C ATOM 708 CG LEU A 370 88.287 21.285 -9.139 1.00 0.00 C ATOM 709 CD1 LEU A 370 87.697 19.963 -8.634 1.00 0.00 C ATOM 710 CD2 LEU A 370 89.073 21.959 -8.005 1.00 0.00 C ATOM 0 H LEU A 370 87.669 22.837 -10.913 1.00 0.00 H new ATOM 0 HA LEU A 370 90.395 22.809 -10.246 1.00 0.00 H new ATOM 0 HB2 LEU A 370 88.699 20.416 -11.077 1.00 0.00 H new ATOM 0 HB3 LEU A 370 90.075 20.415 -9.992 1.00 0.00 H new ATOM 0 HG LEU A 370 87.483 21.946 -9.462 1.00 0.00 H new ATOM 0 HD11 LEU A 370 87.033 20.159 -7.792 1.00 0.00 H new ATOM 0 HD12 LEU A 370 87.134 19.486 -9.436 1.00 0.00 H new ATOM 0 HD13 LEU A 370 88.504 19.303 -8.314 1.00 0.00 H new ATOM 0 HD21 LEU A 370 88.405 22.155 -7.166 1.00 0.00 H new ATOM 0 HD22 LEU A 370 89.880 21.302 -7.681 1.00 0.00 H new ATOM 0 HD23 LEU A 370 89.493 22.899 -8.362 1.00 0.00 H new ATOM 722 N LYS A 371 91.680 22.460 -12.353 1.00 0.00 N ATOM 723 CA LYS A 371 92.460 22.240 -13.569 1.00 0.00 C ATOM 724 C LYS A 371 93.172 20.891 -13.510 1.00 0.00 C ATOM 725 O LYS A 371 93.567 20.434 -12.437 1.00 0.00 O ATOM 726 CB LYS A 371 93.500 23.356 -13.741 1.00 0.00 C ATOM 727 CG LYS A 371 92.801 24.721 -13.955 1.00 0.00 C ATOM 728 CD LYS A 371 92.577 25.432 -12.604 1.00 0.00 C ATOM 729 CE LYS A 371 93.836 26.206 -12.200 1.00 0.00 C ATOM 730 NZ LYS A 371 93.897 27.487 -12.960 1.00 0.00 N ATOM 0 H LYS A 371 92.179 22.954 -11.613 1.00 0.00 H new ATOM 0 HA LYS A 371 91.777 22.247 -14.418 1.00 0.00 H new ATOM 0 HB2 LYS A 371 94.141 23.403 -12.860 1.00 0.00 H new ATOM 0 HB3 LYS A 371 94.144 23.133 -14.592 1.00 0.00 H new ATOM 0 HG2 LYS A 371 93.409 25.349 -14.607 1.00 0.00 H new ATOM 0 HG3 LYS A 371 91.845 24.572 -14.457 1.00 0.00 H new ATOM 0 HD2 LYS A 371 91.730 26.114 -12.679 1.00 0.00 H new ATOM 0 HD3 LYS A 371 92.329 24.700 -11.836 1.00 0.00 H new ATOM 0 HE2 LYS A 371 93.824 26.407 -11.129 1.00 0.00 H new ATOM 0 HE3 LYS A 371 94.724 25.608 -12.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 371 94.889 27.724 -13.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 371 93.377 27.385 -13.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 371 93.468 28.247 -12.394 1.00 0.00 H new ATOM 744 N ASN A 372 93.328 20.258 -14.668 1.00 0.00 N ATOM 745 CA ASN A 372 93.991 18.960 -14.732 1.00 0.00 C ATOM 746 C ASN A 372 93.296 17.965 -13.810 1.00 0.00 C ATOM 747 O ASN A 372 93.663 17.825 -12.643 1.00 0.00 O ATOM 748 CB ASN A 372 95.459 19.103 -14.322 1.00 0.00 C ATOM 749 CG ASN A 372 96.228 17.840 -14.692 1.00 0.00 C ATOM 750 OD1 ASN A 372 96.910 17.804 -15.717 1.00 0.00 O ATOM 751 ND2 ASN A 372 96.160 16.794 -13.914 1.00 0.00 N ATOM 0 H ASN A 372 93.008 20.618 -15.567 1.00 0.00 H new ATOM 0 HA ASN A 372 93.937 18.591 -15.756 1.00 0.00 H new ATOM 0 HB2 ASN A 372 95.901 19.967 -14.818 1.00 0.00 H new ATOM 0 HB3 ASN A 372 95.530 19.281 -13.249 1.00 0.00 H new ATOM 0 HD21 ASN A 372 96.672 15.945 -14.155 1.00 0.00 H new ATOM 0 HD22 ASN A 372 95.595 16.825 -13.065 1.00 0.00 H new ATOM 758 N TYR A 373 92.288 17.281 -14.338 1.00 0.00 N ATOM 759 CA TYR A 373 91.545 16.307 -13.548 1.00 0.00 C ATOM 760 C TYR A 373 90.718 15.397 -14.451 1.00 0.00 C ATOM 761 O TYR A 373 90.334 15.782 -15.555 1.00 0.00 O ATOM 762 CB TYR A 373 90.616 17.035 -12.573 1.00 0.00 C ATOM 763 CG TYR A 373 89.564 17.789 -13.355 1.00 0.00 C ATOM 764 CD1 TYR A 373 89.922 18.928 -14.087 1.00 0.00 C ATOM 765 CD2 TYR A 373 88.234 17.349 -13.354 1.00 0.00 C ATOM 766 CE1 TYR A 373 88.952 19.625 -14.816 1.00 0.00 C ATOM 767 CE2 TYR A 373 87.264 18.046 -14.082 1.00 0.00 C ATOM 768 CZ TYR A 373 87.623 19.185 -14.814 1.00 0.00 C ATOM 769 OH TYR A 373 86.667 19.873 -15.532 1.00 0.00 O ATOM 0 H TYR A 373 91.968 17.381 -15.301 1.00 0.00 H new ATOM 0 HA TYR A 373 92.258 15.697 -12.994 1.00 0.00 H new ATOM 0 HB2 TYR A 373 90.143 16.320 -11.901 1.00 0.00 H new ATOM 0 HB3 TYR A 373 91.189 17.725 -11.953 1.00 0.00 H new ATOM 0 HD1 TYR A 373 90.947 19.268 -14.089 1.00 0.00 H new ATOM 0 HD2 TYR A 373 87.957 16.470 -12.790 1.00 0.00 H new ATOM 0 HE1 TYR A 373 89.229 20.503 -15.381 1.00 0.00 H new ATOM 0 HE2 TYR A 373 86.239 17.706 -14.080 1.00 0.00 H new ATOM 0 HH TYR A 373 85.798 19.434 -15.424 1.00 0.00 H new ATOM 779 N VAL A 374 90.443 14.186 -13.969 1.00 0.00 N ATOM 780 CA VAL A 374 89.654 13.214 -14.729 1.00 0.00 C ATOM 781 C VAL A 374 88.636 12.535 -13.819 1.00 0.00 C ATOM 782 O VAL A 374 89.003 11.848 -12.866 1.00 0.00 O ATOM 783 CB VAL A 374 90.577 12.157 -15.338 1.00 0.00 C ATOM 784 CG1 VAL A 374 89.796 11.318 -16.350 1.00 0.00 C ATOM 785 CG2 VAL A 374 91.745 12.849 -16.044 1.00 0.00 C ATOM 0 H VAL A 374 90.754 13.853 -13.056 1.00 0.00 H new ATOM 0 HA VAL A 374 89.127 13.739 -15.526 1.00 0.00 H new ATOM 0 HB VAL A 374 90.959 11.510 -14.549 1.00 0.00 H new ATOM 0 HG11 VAL A 374 90.454 10.565 -16.784 1.00 0.00 H new ATOM 0 HG12 VAL A 374 88.963 10.826 -15.849 1.00 0.00 H new ATOM 0 HG13 VAL A 374 89.414 11.964 -17.140 1.00 0.00 H new ATOM 0 HG21 VAL A 374 92.404 12.098 -16.479 1.00 0.00 H new ATOM 0 HG22 VAL A 374 91.362 13.496 -16.833 1.00 0.00 H new ATOM 0 HG23 VAL A 374 92.303 13.447 -15.324 1.00 0.00 H new ATOM 795 N VAL A 375 87.355 12.733 -14.116 1.00 0.00 N ATOM 796 CA VAL A 375 86.294 12.135 -13.314 1.00 0.00 C ATOM 797 C VAL A 375 86.093 10.672 -13.694 1.00 0.00 C ATOM 798 O VAL A 375 85.912 10.346 -14.868 1.00 0.00 O ATOM 799 CB VAL A 375 84.985 12.900 -13.534 1.00 0.00 C ATOM 800 CG1 VAL A 375 83.976 12.516 -12.449 1.00 0.00 C ATOM 801 CG2 VAL A 375 85.257 14.406 -13.469 1.00 0.00 C ATOM 0 H VAL A 375 87.029 13.298 -14.900 1.00 0.00 H new ATOM 0 HA VAL A 375 86.582 12.191 -12.264 1.00 0.00 H new ATOM 0 HB VAL A 375 84.577 12.645 -14.512 1.00 0.00 H new ATOM 0 HG11 VAL A 375 83.046 13.062 -12.608 1.00 0.00 H new ATOM 0 HG12 VAL A 375 83.781 11.445 -12.496 1.00 0.00 H new ATOM 0 HG13 VAL A 375 84.382 12.768 -11.469 1.00 0.00 H new ATOM 0 HG21 VAL A 375 84.326 14.951 -13.625 1.00 0.00 H new ATOM 0 HG22 VAL A 375 85.666 14.660 -12.491 1.00 0.00 H new ATOM 0 HG23 VAL A 375 85.973 14.680 -14.244 1.00 0.00 H new ATOM 811 N TYR A 376 86.122 9.792 -12.695 1.00 0.00 N ATOM 812 CA TYR A 376 85.937 8.360 -12.935 1.00 0.00 C ATOM 813 C TYR A 376 85.212 7.710 -11.760 1.00 0.00 C ATOM 814 O TYR A 376 84.987 8.344 -10.730 1.00 0.00 O ATOM 815 CB TYR A 376 87.294 7.682 -13.153 1.00 0.00 C ATOM 816 CG TYR A 376 88.067 7.639 -11.853 1.00 0.00 C ATOM 817 CD1 TYR A 376 88.692 8.796 -11.373 1.00 0.00 C ATOM 818 CD2 TYR A 376 88.160 6.442 -11.132 1.00 0.00 C ATOM 819 CE1 TYR A 376 89.411 8.755 -10.172 1.00 0.00 C ATOM 820 CE2 TYR A 376 88.878 6.402 -9.933 1.00 0.00 C ATOM 821 CZ TYR A 376 89.504 7.558 -9.452 1.00 0.00 C ATOM 822 OH TYR A 376 90.213 7.518 -8.269 1.00 0.00 O ATOM 0 H TYR A 376 86.271 10.042 -11.717 1.00 0.00 H new ATOM 0 HA TYR A 376 85.329 8.235 -13.831 1.00 0.00 H new ATOM 0 HB2 TYR A 376 87.147 6.671 -13.532 1.00 0.00 H new ATOM 0 HB3 TYR A 376 87.864 8.225 -13.907 1.00 0.00 H new ATOM 0 HD1 TYR A 376 88.620 9.719 -11.928 1.00 0.00 H new ATOM 0 HD2 TYR A 376 87.677 5.550 -11.502 1.00 0.00 H new ATOM 0 HE1 TYR A 376 89.894 9.647 -9.801 1.00 0.00 H new ATOM 0 HE2 TYR A 376 88.950 5.479 -9.378 1.00 0.00 H new ATOM 0 HH TYR A 376 90.900 8.217 -8.276 1.00 0.00 H new ATOM 832 N GLU A 377 84.847 6.443 -11.924 1.00 0.00 N ATOM 833 CA GLU A 377 84.144 5.716 -10.872 1.00 0.00 C ATOM 834 C GLU A 377 85.120 5.225 -9.808 1.00 0.00 C ATOM 835 O GLU A 377 86.062 4.492 -10.108 1.00 0.00 O ATOM 836 CB GLU A 377 83.397 4.523 -11.471 1.00 0.00 C ATOM 837 CG GLU A 377 82.722 3.729 -10.352 1.00 0.00 C ATOM 838 CD GLU A 377 81.730 2.733 -10.944 1.00 0.00 C ATOM 839 OE1 GLU A 377 82.150 1.639 -11.282 1.00 0.00 O ATOM 840 OE2 GLU A 377 80.565 3.080 -11.052 1.00 0.00 O ATOM 0 H GLU A 377 85.025 5.901 -12.769 1.00 0.00 H new ATOM 0 HA GLU A 377 83.431 6.395 -10.405 1.00 0.00 H new ATOM 0 HB2 GLU A 377 82.651 4.869 -12.186 1.00 0.00 H new ATOM 0 HB3 GLU A 377 84.090 3.884 -12.018 1.00 0.00 H new ATOM 0 HG2 GLU A 377 83.474 3.201 -9.765 1.00 0.00 H new ATOM 0 HG3 GLU A 377 82.207 4.408 -9.673 1.00 0.00 H new ATOM 847 N THR A 378 84.885 5.634 -8.561 1.00 0.00 N ATOM 848 CA THR A 378 85.741 5.235 -7.439 1.00 0.00 C ATOM 849 C THR A 378 84.882 4.654 -6.314 1.00 0.00 C ATOM 850 O THR A 378 83.656 4.606 -6.422 1.00 0.00 O ATOM 851 CB THR A 378 86.524 6.469 -6.931 1.00 0.00 C ATOM 852 OG1 THR A 378 86.710 7.371 -8.012 1.00 0.00 O ATOM 853 CG2 THR A 378 87.903 6.062 -6.375 1.00 0.00 C ATOM 0 H THR A 378 84.109 6.242 -8.300 1.00 0.00 H new ATOM 0 HA THR A 378 86.447 4.473 -7.769 1.00 0.00 H new ATOM 0 HB THR A 378 85.953 6.938 -6.130 1.00 0.00 H new ATOM 0 HG1 THR A 378 87.579 7.203 -8.432 1.00 0.00 H new ATOM 0 HG21 THR A 378 88.431 6.949 -6.025 1.00 0.00 H new ATOM 0 HG22 THR A 378 87.770 5.368 -5.545 1.00 0.00 H new ATOM 0 HG23 THR A 378 88.485 5.580 -7.161 1.00 0.00 H new ATOM 861 N THR A 379 85.530 4.218 -5.234 1.00 0.00 N ATOM 862 CA THR A 379 84.819 3.647 -4.090 1.00 0.00 C ATOM 863 C THR A 379 85.388 4.200 -2.790 1.00 0.00 C ATOM 864 O THR A 379 86.483 3.823 -2.372 1.00 0.00 O ATOM 865 CB THR A 379 84.961 2.122 -4.093 1.00 0.00 C ATOM 866 OG1 THR A 379 86.309 1.775 -4.376 1.00 0.00 O ATOM 867 CG2 THR A 379 84.044 1.520 -5.161 1.00 0.00 C ATOM 0 H THR A 379 86.544 4.249 -5.127 1.00 0.00 H new ATOM 0 HA THR A 379 83.765 3.915 -4.167 1.00 0.00 H new ATOM 0 HB THR A 379 84.680 1.731 -3.115 1.00 0.00 H new ATOM 0 HG1 THR A 379 86.909 2.307 -3.813 1.00 0.00 H new ATOM 0 HG21 THR A 379 84.148 0.435 -5.160 1.00 0.00 H new ATOM 0 HG22 THR A 379 83.009 1.786 -4.944 1.00 0.00 H new ATOM 0 HG23 THR A 379 84.321 1.910 -6.140 1.00 0.00 H new ATOM 875 N ARG A 380 84.637 5.096 -2.152 1.00 0.00 N ATOM 876 CA ARG A 380 85.070 5.704 -0.893 1.00 0.00 C ATOM 877 C ARG A 380 83.983 5.555 0.169 1.00 0.00 C ATOM 878 O ARG A 380 82.841 5.966 -0.037 1.00 0.00 O ATOM 879 CB ARG A 380 85.375 7.190 -1.113 1.00 0.00 C ATOM 880 CG ARG A 380 86.244 7.709 0.033 1.00 0.00 C ATOM 881 CD ARG A 380 86.255 9.239 0.018 1.00 0.00 C ATOM 882 NE ARG A 380 84.942 9.756 0.385 1.00 0.00 N ATOM 883 CZ ARG A 380 84.532 9.755 1.649 1.00 0.00 C ATOM 884 NH1 ARG A 380 85.309 9.288 2.588 1.00 0.00 N ATOM 885 NH2 ARG A 380 83.351 10.222 1.953 1.00 0.00 N ATOM 0 H ARG A 380 83.728 5.417 -2.484 1.00 0.00 H new ATOM 0 HA ARG A 380 85.971 5.196 -0.550 1.00 0.00 H new ATOM 0 HB2 ARG A 380 85.888 7.330 -2.064 1.00 0.00 H new ATOM 0 HB3 ARG A 380 84.447 7.759 -1.165 1.00 0.00 H new ATOM 0 HG2 ARG A 380 85.859 7.348 0.987 1.00 0.00 H new ATOM 0 HG3 ARG A 380 87.260 7.327 -0.066 1.00 0.00 H new ATOM 0 HD2 ARG A 380 87.008 9.611 0.713 1.00 0.00 H new ATOM 0 HD3 ARG A 380 86.531 9.598 -0.973 1.00 0.00 H new ATOM 0 HE ARG A 380 84.328 10.125 -0.341 1.00 0.00 H new ATOM 0 HH11 ARG A 380 86.232 8.923 2.352 1.00 0.00 H new ATOM 0 HH12 ARG A 380 84.993 9.288 3.558 1.00 0.00 H new ATOM 0 HH21 ARG A 380 82.743 10.588 1.220 1.00 0.00 H new ATOM 0 HH22 ARG A 380 83.037 10.221 2.923 1.00 0.00 H new ATOM 899 N ASN A 381 84.346 4.962 1.302 1.00 0.00 N ATOM 900 CA ASN A 381 83.394 4.761 2.389 1.00 0.00 C ATOM 901 C ASN A 381 82.233 3.883 1.931 1.00 0.00 C ATOM 902 O ASN A 381 81.075 4.296 1.979 1.00 0.00 O ATOM 903 CB ASN A 381 82.857 6.111 2.872 1.00 0.00 C ATOM 904 CG ASN A 381 82.162 5.943 4.219 1.00 0.00 C ATOM 905 OD1 ASN A 381 82.637 6.559 5.268 1.00 0.00 O flip ATOM 906 ND2 ASN A 381 81.162 5.234 4.320 1.00 0.00 N flip ATOM 0 H ASN A 381 85.286 4.614 1.491 1.00 0.00 H new ATOM 0 HA ASN A 381 83.910 4.262 3.209 1.00 0.00 H new ATOM 0 HB2 ASN A 381 83.675 6.826 2.962 1.00 0.00 H new ATOM 0 HB3 ASN A 381 82.158 6.517 2.141 1.00 0.00 H new ATOM 0 HD21 ASN A 381 80.792 4.754 3.500 1.00 0.00 H new ATOM 0 HD22 ASN A 381 80.702 5.126 5.224 1.00 0.00 H new ATOM 913 N GLY A 382 82.556 2.668 1.492 1.00 0.00 N ATOM 914 CA GLY A 382 81.537 1.726 1.028 1.00 0.00 C ATOM 915 C GLY A 382 80.424 2.436 0.262 1.00 0.00 C ATOM 916 O GLY A 382 79.251 2.085 0.387 1.00 0.00 O ATOM 0 H GLY A 382 83.511 2.313 1.447 1.00 0.00 H new ATOM 0 HA2 GLY A 382 81.999 0.975 0.387 1.00 0.00 H new ATOM 0 HA3 GLY A 382 81.113 1.198 1.882 1.00 0.00 H new ATOM 920 N GLN A 383 80.800 3.439 -0.530 1.00 0.00 N ATOM 921 CA GLN A 383 79.828 4.201 -1.314 1.00 0.00 C ATOM 922 C GLN A 383 80.486 4.736 -2.596 1.00 0.00 C ATOM 923 O GLN A 383 81.360 5.601 -2.518 1.00 0.00 O ATOM 924 CB GLN A 383 79.311 5.383 -0.484 1.00 0.00 C ATOM 925 CG GLN A 383 78.319 4.884 0.572 1.00 0.00 C ATOM 926 CD GLN A 383 77.727 6.069 1.330 1.00 0.00 C ATOM 927 OE1 GLN A 383 77.894 6.177 2.544 1.00 0.00 O ATOM 928 NE2 GLN A 383 77.038 6.967 0.680 1.00 0.00 N ATOM 0 H GLN A 383 81.767 3.742 -0.646 1.00 0.00 H new ATOM 0 HA GLN A 383 78.999 3.545 -1.581 1.00 0.00 H new ATOM 0 HB2 GLN A 383 80.145 5.892 -0.001 1.00 0.00 H new ATOM 0 HB3 GLN A 383 78.827 6.112 -1.135 1.00 0.00 H new ATOM 0 HG2 GLN A 383 77.523 4.312 0.094 1.00 0.00 H new ATOM 0 HG3 GLN A 383 78.822 4.211 1.267 1.00 0.00 H new ATOM 0 HE21 GLN A 383 76.901 6.875 -0.327 1.00 0.00 H new ATOM 0 HE22 GLN A 383 76.636 7.761 1.179 1.00 0.00 H new ATOM 937 N PRO A 384 80.106 4.260 -3.768 1.00 0.00 N ATOM 938 CA PRO A 384 80.710 4.742 -5.046 1.00 0.00 C ATOM 939 C PRO A 384 80.887 6.259 -5.066 1.00 0.00 C ATOM 940 O PRO A 384 79.980 7.006 -4.698 1.00 0.00 O ATOM 941 CB PRO A 384 79.708 4.280 -6.106 1.00 0.00 C ATOM 942 CG PRO A 384 79.114 3.030 -5.542 1.00 0.00 C ATOM 943 CD PRO A 384 79.076 3.228 -4.020 1.00 0.00 C ATOM 0 HA PRO A 384 81.714 4.350 -5.206 1.00 0.00 H new ATOM 0 HB2 PRO A 384 78.944 5.036 -6.286 1.00 0.00 H new ATOM 0 HB3 PRO A 384 80.199 4.090 -7.060 1.00 0.00 H new ATOM 0 HG2 PRO A 384 78.113 2.861 -5.938 1.00 0.00 H new ATOM 0 HG3 PRO A 384 79.713 2.159 -5.807 1.00 0.00 H new ATOM 0 HD2 PRO A 384 78.092 3.556 -3.684 1.00 0.00 H new ATOM 0 HD3 PRO A 384 79.301 2.302 -3.491 1.00 0.00 H new ATOM 951 N TRP A 385 82.066 6.704 -5.493 1.00 0.00 N ATOM 952 CA TRP A 385 82.370 8.132 -5.557 1.00 0.00 C ATOM 953 C TRP A 385 83.342 8.407 -6.701 1.00 0.00 C ATOM 954 O TRP A 385 83.967 7.489 -7.231 1.00 0.00 O ATOM 955 CB TRP A 385 82.971 8.584 -4.214 1.00 0.00 C ATOM 956 CG TRP A 385 83.688 9.896 -4.356 1.00 0.00 C ATOM 957 CD1 TRP A 385 85.029 10.053 -4.279 1.00 0.00 C ATOM 958 CD2 TRP A 385 83.134 11.224 -4.595 1.00 0.00 C ATOM 959 NE1 TRP A 385 85.334 11.391 -4.452 1.00 0.00 N ATOM 960 CE2 TRP A 385 84.201 12.153 -4.650 1.00 0.00 C ATOM 961 CE3 TRP A 385 81.825 11.711 -4.766 1.00 0.00 C ATOM 962 CZ2 TRP A 385 83.978 13.513 -4.868 1.00 0.00 C ATOM 963 CZ3 TRP A 385 81.597 13.081 -4.984 1.00 0.00 C ATOM 964 CH2 TRP A 385 82.673 13.979 -5.035 1.00 0.00 C ATOM 0 H TRP A 385 82.826 6.097 -5.800 1.00 0.00 H new ATOM 0 HA TRP A 385 81.455 8.694 -5.743 1.00 0.00 H new ATOM 0 HB2 TRP A 385 82.179 8.678 -3.471 1.00 0.00 H new ATOM 0 HB3 TRP A 385 83.663 7.826 -3.848 1.00 0.00 H new ATOM 0 HD1 TRP A 385 85.745 9.262 -4.110 1.00 0.00 H new ATOM 0 HE1 TRP A 385 86.281 11.768 -4.435 1.00 0.00 H new ATOM 0 HE3 TRP A 385 80.990 11.028 -4.730 1.00 0.00 H new ATOM 0 HZ2 TRP A 385 84.810 14.201 -4.907 1.00 0.00 H new ATOM 0 HZ3 TRP A 385 80.588 13.444 -5.113 1.00 0.00 H new ATOM 0 HH2 TRP A 385 82.492 15.030 -5.203 1.00 0.00 H new ATOM 975 N TYR A 386 83.458 9.679 -7.082 1.00 0.00 N ATOM 976 CA TYR A 386 84.355 10.082 -8.164 1.00 0.00 C ATOM 977 C TYR A 386 85.382 11.078 -7.634 1.00 0.00 C ATOM 978 O TYR A 386 85.123 12.280 -7.578 1.00 0.00 O ATOM 979 CB TYR A 386 83.544 10.726 -9.296 1.00 0.00 C ATOM 980 CG TYR A 386 82.249 9.968 -9.486 1.00 0.00 C ATOM 981 CD1 TYR A 386 81.229 10.077 -8.531 1.00 0.00 C ATOM 982 CD2 TYR A 386 82.066 9.158 -10.614 1.00 0.00 C ATOM 983 CE1 TYR A 386 80.030 9.374 -8.704 1.00 0.00 C ATOM 984 CE2 TYR A 386 80.866 8.456 -10.786 1.00 0.00 C ATOM 985 CZ TYR A 386 79.848 8.564 -9.831 1.00 0.00 C ATOM 986 OH TYR A 386 78.667 7.872 -10.000 1.00 0.00 O ATOM 0 H TYR A 386 82.941 10.449 -6.657 1.00 0.00 H new ATOM 0 HA TYR A 386 84.872 9.203 -8.549 1.00 0.00 H new ATOM 0 HB2 TYR A 386 83.335 11.769 -9.060 1.00 0.00 H new ATOM 0 HB3 TYR A 386 84.121 10.718 -10.221 1.00 0.00 H new ATOM 0 HD1 TYR A 386 81.368 10.703 -7.662 1.00 0.00 H new ATOM 0 HD2 TYR A 386 82.851 9.075 -11.352 1.00 0.00 H new ATOM 0 HE1 TYR A 386 79.245 9.457 -7.967 1.00 0.00 H new ATOM 0 HE2 TYR A 386 80.726 7.831 -11.656 1.00 0.00 H new ATOM 0 HH TYR A 386 78.705 7.359 -10.834 1.00 0.00 H new ATOM 996 N VAL A 387 86.545 10.570 -7.235 1.00 0.00 N ATOM 997 CA VAL A 387 87.599 11.427 -6.701 1.00 0.00 C ATOM 998 C VAL A 387 88.397 12.065 -7.832 1.00 0.00 C ATOM 999 O VAL A 387 88.670 11.428 -8.850 1.00 0.00 O ATOM 1000 CB VAL A 387 88.531 10.607 -5.802 1.00 0.00 C ATOM 1001 CG1 VAL A 387 89.019 9.371 -6.559 1.00 0.00 C ATOM 1002 CG2 VAL A 387 89.736 11.461 -5.386 1.00 0.00 C ATOM 0 H VAL A 387 86.780 9.578 -7.271 1.00 0.00 H new ATOM 0 HA VAL A 387 87.137 12.220 -6.113 1.00 0.00 H new ATOM 0 HB VAL A 387 87.985 10.296 -4.911 1.00 0.00 H new ATOM 0 HG11 VAL A 387 89.681 8.790 -5.918 1.00 0.00 H new ATOM 0 HG12 VAL A 387 88.164 8.759 -6.847 1.00 0.00 H new ATOM 0 HG13 VAL A 387 89.560 9.682 -7.453 1.00 0.00 H new ATOM 0 HG21 VAL A 387 90.395 10.873 -4.747 1.00 0.00 H new ATOM 0 HG22 VAL A 387 90.281 11.779 -6.275 1.00 0.00 H new ATOM 0 HG23 VAL A 387 89.389 12.338 -4.840 1.00 0.00 H new ATOM 1012 N LEU A 388 88.766 13.330 -7.643 1.00 0.00 N ATOM 1013 CA LEU A 388 89.536 14.074 -8.643 1.00 0.00 C ATOM 1014 C LEU A 388 90.923 14.402 -8.093 1.00 0.00 C ATOM 1015 O LEU A 388 91.081 15.348 -7.322 1.00 0.00 O ATOM 1016 CB LEU A 388 88.799 15.383 -8.990 1.00 0.00 C ATOM 1017 CG LEU A 388 87.761 15.146 -10.096 1.00 0.00 C ATOM 1018 CD1 LEU A 388 86.885 13.934 -9.751 1.00 0.00 C ATOM 1019 CD2 LEU A 388 86.885 16.396 -10.232 1.00 0.00 C ATOM 0 H LEU A 388 88.544 13.865 -6.803 1.00 0.00 H new ATOM 0 HA LEU A 388 89.641 13.464 -9.540 1.00 0.00 H new ATOM 0 HB2 LEU A 388 88.306 15.775 -8.100 1.00 0.00 H new ATOM 0 HB3 LEU A 388 89.518 16.136 -9.314 1.00 0.00 H new ATOM 0 HG LEU A 388 88.274 14.948 -11.037 1.00 0.00 H new ATOM 0 HD11 LEU A 388 86.153 13.777 -10.543 1.00 0.00 H new ATOM 0 HD12 LEU A 388 87.512 13.048 -9.655 1.00 0.00 H new ATOM 0 HD13 LEU A 388 86.367 14.116 -8.809 1.00 0.00 H new ATOM 0 HD21 LEU A 388 86.144 16.238 -11.016 1.00 0.00 H new ATOM 0 HD22 LEU A 388 86.378 16.589 -9.287 1.00 0.00 H new ATOM 0 HD23 LEU A 388 87.509 17.251 -10.491 1.00 0.00 H new ATOM 1031 N VAL A 389 91.925 13.629 -8.501 1.00 0.00 N ATOM 1032 CA VAL A 389 93.294 13.863 -8.048 1.00 0.00 C ATOM 1033 C VAL A 389 94.000 14.813 -9.010 1.00 0.00 C ATOM 1034 O VAL A 389 93.608 14.935 -10.170 1.00 0.00 O ATOM 1035 CB VAL A 389 94.058 12.539 -7.985 1.00 0.00 C ATOM 1036 CG1 VAL A 389 93.345 11.583 -7.027 1.00 0.00 C ATOM 1037 CG2 VAL A 389 94.114 11.913 -9.380 1.00 0.00 C ATOM 0 H VAL A 389 91.817 12.841 -9.139 1.00 0.00 H new ATOM 0 HA VAL A 389 93.266 14.308 -7.053 1.00 0.00 H new ATOM 0 HB VAL A 389 95.072 12.723 -7.629 1.00 0.00 H new ATOM 0 HG11 VAL A 389 93.889 10.640 -6.982 1.00 0.00 H new ATOM 0 HG12 VAL A 389 93.306 12.027 -6.032 1.00 0.00 H new ATOM 0 HG13 VAL A 389 92.331 11.400 -7.383 1.00 0.00 H new ATOM 0 HG21 VAL A 389 94.659 10.970 -9.334 1.00 0.00 H new ATOM 0 HG22 VAL A 389 93.101 11.730 -9.738 1.00 0.00 H new ATOM 0 HG23 VAL A 389 94.623 12.593 -10.064 1.00 0.00 H new ATOM 1047 N SER A 390 95.044 15.486 -8.528 1.00 0.00 N ATOM 1048 CA SER A 390 95.799 16.426 -9.362 1.00 0.00 C ATOM 1049 C SER A 390 97.123 15.809 -9.801 1.00 0.00 C ATOM 1050 O SER A 390 98.152 15.994 -9.150 1.00 0.00 O ATOM 1051 CB SER A 390 96.073 17.709 -8.576 1.00 0.00 C ATOM 1052 OG SER A 390 96.647 17.376 -7.319 1.00 0.00 O ATOM 0 H SER A 390 95.386 15.400 -7.571 1.00 0.00 H new ATOM 0 HA SER A 390 95.206 16.656 -10.247 1.00 0.00 H new ATOM 0 HB2 SER A 390 96.748 18.356 -9.137 1.00 0.00 H new ATOM 0 HB3 SER A 390 95.147 18.265 -8.430 1.00 0.00 H new ATOM 0 HG SER A 390 97.388 16.749 -7.454 1.00 0.00 H new ATOM 1058 N GLY A 391 97.090 15.074 -10.908 1.00 0.00 N ATOM 1059 CA GLY A 391 98.294 14.434 -11.426 1.00 0.00 C ATOM 1060 C GLY A 391 98.914 13.513 -10.381 1.00 0.00 C ATOM 1061 O GLY A 391 98.223 12.701 -9.765 1.00 0.00 O ATOM 0 H GLY A 391 96.249 14.907 -11.460 1.00 0.00 H new ATOM 0 HA2 GLY A 391 98.050 13.862 -12.321 1.00 0.00 H new ATOM 0 HA3 GLY A 391 99.017 15.195 -11.721 1.00 0.00 H new ATOM 1065 N VAL A 392 100.225 13.644 -10.186 1.00 0.00 N ATOM 1066 CA VAL A 392 100.938 12.819 -9.211 1.00 0.00 C ATOM 1067 C VAL A 392 102.161 13.557 -8.679 1.00 0.00 C ATOM 1068 O VAL A 392 102.938 14.127 -9.446 1.00 0.00 O ATOM 1069 CB VAL A 392 101.379 11.504 -9.859 1.00 0.00 C ATOM 1070 CG1 VAL A 392 100.148 10.699 -10.279 1.00 0.00 C ATOM 1071 CG2 VAL A 392 102.235 11.806 -11.092 1.00 0.00 C ATOM 0 H VAL A 392 100.813 14.310 -10.687 1.00 0.00 H new ATOM 0 HA VAL A 392 100.263 12.607 -8.382 1.00 0.00 H new ATOM 0 HB VAL A 392 101.962 10.925 -9.142 1.00 0.00 H new ATOM 0 HG11 VAL A 392 100.465 9.763 -10.740 1.00 0.00 H new ATOM 0 HG12 VAL A 392 99.538 10.483 -9.402 1.00 0.00 H new ATOM 0 HG13 VAL A 392 99.563 11.276 -10.995 1.00 0.00 H new ATOM 0 HG21 VAL A 392 102.550 10.870 -11.554 1.00 0.00 H new ATOM 0 HG22 VAL A 392 101.651 12.386 -11.807 1.00 0.00 H new ATOM 0 HG23 VAL A 392 103.114 12.377 -10.794 1.00 0.00 H new ATOM 1081 N TYR A 393 102.326 13.541 -7.360 1.00 0.00 N ATOM 1082 CA TYR A 393 103.460 14.211 -6.727 1.00 0.00 C ATOM 1083 C TYR A 393 104.692 13.313 -6.751 1.00 0.00 C ATOM 1084 O TYR A 393 104.694 12.229 -6.169 1.00 0.00 O ATOM 1085 CB TYR A 393 103.113 14.569 -5.281 1.00 0.00 C ATOM 1086 CG TYR A 393 102.014 15.603 -5.269 1.00 0.00 C ATOM 1087 CD1 TYR A 393 102.331 16.963 -5.366 1.00 0.00 C ATOM 1088 CD2 TYR A 393 100.676 15.203 -5.161 1.00 0.00 C ATOM 1089 CE1 TYR A 393 101.312 17.922 -5.356 1.00 0.00 C ATOM 1090 CE2 TYR A 393 99.657 16.163 -5.150 1.00 0.00 C ATOM 1091 CZ TYR A 393 99.975 17.522 -5.247 1.00 0.00 C ATOM 1092 OH TYR A 393 98.971 18.468 -5.237 1.00 0.00 O ATOM 0 H TYR A 393 101.693 13.074 -6.710 1.00 0.00 H new ATOM 0 HA TYR A 393 103.678 15.123 -7.283 1.00 0.00 H new ATOM 0 HB2 TYR A 393 102.794 13.678 -4.741 1.00 0.00 H new ATOM 0 HB3 TYR A 393 103.995 14.954 -4.769 1.00 0.00 H new ATOM 0 HD1 TYR A 393 103.362 17.272 -5.449 1.00 0.00 H new ATOM 0 HD2 TYR A 393 100.430 14.154 -5.086 1.00 0.00 H new ATOM 0 HE1 TYR A 393 101.557 18.971 -5.432 1.00 0.00 H new ATOM 0 HE2 TYR A 393 98.625 15.854 -5.067 1.00 0.00 H new ATOM 0 HH TYR A 393 98.246 18.182 -5.831 1.00 0.00 H new ATOM 1102 N ALA A 394 105.740 13.770 -7.431 1.00 0.00 N ATOM 1103 CA ALA A 394 106.974 12.998 -7.525 1.00 0.00 C ATOM 1104 C ALA A 394 107.406 12.503 -6.149 1.00 0.00 C ATOM 1105 O ALA A 394 108.200 11.568 -6.036 1.00 0.00 O ATOM 1106 CB ALA A 394 108.083 13.861 -8.130 1.00 0.00 C ATOM 0 H ALA A 394 105.759 14.664 -7.921 1.00 0.00 H new ATOM 0 HA ALA A 394 106.792 12.135 -8.166 1.00 0.00 H new ATOM 0 HB1 ALA A 394 109.002 13.278 -8.197 1.00 0.00 H new ATOM 0 HB2 ALA A 394 107.787 14.188 -9.127 1.00 0.00 H new ATOM 0 HB3 ALA A 394 108.252 14.733 -7.498 1.00 0.00 H new ATOM 1112 N SER A 395 106.880 13.133 -5.104 1.00 0.00 N ATOM 1113 CA SER A 395 107.220 12.746 -3.740 1.00 0.00 C ATOM 1114 C SER A 395 106.200 13.305 -2.754 1.00 0.00 C ATOM 1115 O SER A 395 105.427 14.202 -3.088 1.00 0.00 O ATOM 1116 CB SER A 395 108.613 13.263 -3.384 1.00 0.00 C ATOM 1117 OG SER A 395 109.504 12.989 -4.457 1.00 0.00 O ATOM 0 H SER A 395 106.221 13.908 -5.174 1.00 0.00 H new ATOM 0 HA SER A 395 107.209 11.658 -3.677 1.00 0.00 H new ATOM 0 HB2 SER A 395 108.577 14.335 -3.191 1.00 0.00 H new ATOM 0 HB3 SER A 395 108.968 12.786 -2.470 1.00 0.00 H new ATOM 0 HG SER A 395 109.341 12.083 -4.794 1.00 0.00 H new ATOM 1123 N LYS A 396 106.204 12.769 -1.539 1.00 0.00 N ATOM 1124 CA LYS A 396 105.274 13.221 -0.511 1.00 0.00 C ATOM 1125 C LYS A 396 105.707 14.576 0.042 1.00 0.00 C ATOM 1126 O LYS A 396 104.918 15.284 0.668 1.00 0.00 O ATOM 1127 CB LYS A 396 105.216 12.197 0.626 1.00 0.00 C ATOM 1128 CG LYS A 396 103.981 12.457 1.493 1.00 0.00 C ATOM 1129 CD LYS A 396 103.974 11.485 2.675 1.00 0.00 C ATOM 1130 CE LYS A 396 102.594 11.496 3.336 1.00 0.00 C ATOM 1131 NZ LYS A 396 102.270 12.878 3.789 1.00 0.00 N ATOM 0 H LYS A 396 106.836 12.026 -1.243 1.00 0.00 H new ATOM 0 HA LYS A 396 104.285 13.323 -0.958 1.00 0.00 H new ATOM 0 HB2 LYS A 396 105.179 11.187 0.217 1.00 0.00 H new ATOM 0 HB3 LYS A 396 106.119 12.262 1.233 1.00 0.00 H new ATOM 0 HG2 LYS A 396 103.987 13.485 1.854 1.00 0.00 H new ATOM 0 HG3 LYS A 396 103.075 12.332 0.900 1.00 0.00 H new ATOM 0 HD2 LYS A 396 104.218 10.479 2.334 1.00 0.00 H new ATOM 0 HD3 LYS A 396 104.738 11.770 3.398 1.00 0.00 H new ATOM 0 HE2 LYS A 396 101.839 11.147 2.632 1.00 0.00 H new ATOM 0 HE3 LYS A 396 102.580 10.811 4.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 396 101.480 12.846 4.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 396 103.103 13.296 4.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 396 102.001 13.458 2.969 1.00 0.00 H new ATOM 1145 N GLU A 397 106.966 14.929 -0.194 1.00 0.00 N ATOM 1146 CA GLU A 397 107.496 16.201 0.286 1.00 0.00 C ATOM 1147 C GLU A 397 106.709 17.370 -0.300 1.00 0.00 C ATOM 1148 O GLU A 397 105.904 17.995 0.388 1.00 0.00 O ATOM 1149 CB GLU A 397 108.971 16.332 -0.101 1.00 0.00 C ATOM 1150 CG GLU A 397 109.704 15.028 0.224 1.00 0.00 C ATOM 1151 CD GLU A 397 109.475 14.650 1.684 1.00 0.00 C ATOM 1152 OE1 GLU A 397 109.968 15.361 2.544 1.00 0.00 O ATOM 1153 OE2 GLU A 397 108.810 13.655 1.921 1.00 0.00 O ATOM 0 H GLU A 397 107.634 14.358 -0.711 1.00 0.00 H new ATOM 0 HA GLU A 397 107.401 16.224 1.372 1.00 0.00 H new ATOM 0 HB2 GLU A 397 109.060 16.556 -1.164 1.00 0.00 H new ATOM 0 HB3 GLU A 397 109.427 17.162 0.439 1.00 0.00 H new ATOM 0 HG2 GLU A 397 109.348 14.229 -0.427 1.00 0.00 H new ATOM 0 HG3 GLU A 397 110.771 15.144 0.033 1.00 0.00 H new ATOM 1160 N GLU A 398 106.951 17.660 -1.575 1.00 0.00 N ATOM 1161 CA GLU A 398 106.262 18.758 -2.243 1.00 0.00 C ATOM 1162 C GLU A 398 104.749 18.581 -2.152 1.00 0.00 C ATOM 1163 O GLU A 398 103.995 19.550 -2.241 1.00 0.00 O ATOM 1164 CB GLU A 398 106.681 18.820 -3.713 1.00 0.00 C ATOM 1165 CG GLU A 398 108.208 18.830 -3.809 1.00 0.00 C ATOM 1166 CD GLU A 398 108.769 20.044 -3.075 1.00 0.00 C ATOM 1167 OE1 GLU A 398 108.708 21.127 -3.632 1.00 0.00 O ATOM 1168 OE2 GLU A 398 109.250 19.871 -1.967 1.00 0.00 O ATOM 0 H GLU A 398 107.614 17.154 -2.162 1.00 0.00 H new ATOM 0 HA GLU A 398 106.537 19.688 -1.745 1.00 0.00 H new ATOM 0 HB2 GLU A 398 106.278 17.964 -4.253 1.00 0.00 H new ATOM 0 HB3 GLU A 398 106.271 19.715 -4.182 1.00 0.00 H new ATOM 0 HG2 GLU A 398 108.614 17.915 -3.378 1.00 0.00 H new ATOM 0 HG3 GLU A 398 108.515 18.853 -4.855 1.00 0.00 H new ATOM 1175 N ALA A 399 104.312 17.338 -1.974 1.00 0.00 N ATOM 1176 CA ALA A 399 102.886 17.049 -1.875 1.00 0.00 C ATOM 1177 C ALA A 399 102.281 17.732 -0.651 1.00 0.00 C ATOM 1178 O ALA A 399 101.167 18.251 -0.707 1.00 0.00 O ATOM 1179 CB ALA A 399 102.665 15.538 -1.780 1.00 0.00 C ATOM 0 H ALA A 399 104.919 16.522 -1.896 1.00 0.00 H new ATOM 0 HA ALA A 399 102.395 17.433 -2.769 1.00 0.00 H new ATOM 0 HB1 ALA A 399 101.598 15.330 -1.706 1.00 0.00 H new ATOM 0 HB2 ALA A 399 103.068 15.055 -2.670 1.00 0.00 H new ATOM 0 HB3 ALA A 399 103.172 15.151 -0.896 1.00 0.00 H new ATOM 1185 N LYS A 400 103.022 17.726 0.452 1.00 0.00 N ATOM 1186 CA LYS A 400 102.547 18.348 1.683 1.00 0.00 C ATOM 1187 C LYS A 400 102.393 19.854 1.499 1.00 0.00 C ATOM 1188 O LYS A 400 101.288 20.389 1.580 1.00 0.00 O ATOM 1189 CB LYS A 400 103.527 18.067 2.823 1.00 0.00 C ATOM 1190 CG LYS A 400 103.428 16.597 3.236 1.00 0.00 C ATOM 1191 CD LYS A 400 104.649 16.214 4.078 1.00 0.00 C ATOM 1192 CE LYS A 400 104.755 17.142 5.293 1.00 0.00 C ATOM 1193 NZ LYS A 400 105.353 18.442 4.875 1.00 0.00 N ATOM 0 H LYS A 400 103.947 17.301 0.519 1.00 0.00 H new ATOM 0 HA LYS A 400 101.574 17.924 1.929 1.00 0.00 H new ATOM 0 HB2 LYS A 400 104.544 18.298 2.507 1.00 0.00 H new ATOM 0 HB3 LYS A 400 103.304 18.710 3.674 1.00 0.00 H new ATOM 0 HG2 LYS A 400 102.514 16.430 3.806 1.00 0.00 H new ATOM 0 HG3 LYS A 400 103.371 15.964 2.351 1.00 0.00 H new ATOM 0 HD2 LYS A 400 104.565 15.178 4.407 1.00 0.00 H new ATOM 0 HD3 LYS A 400 105.554 16.285 3.475 1.00 0.00 H new ATOM 0 HE2 LYS A 400 103.768 17.306 5.726 1.00 0.00 H new ATOM 0 HE3 LYS A 400 105.369 16.679 6.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 400 106.090 18.720 5.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 400 105.774 18.342 3.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 400 104.613 19.172 4.849 1.00 0.00 H new ATOM 1207 N LYS A 401 103.509 20.532 1.253 1.00 0.00 N ATOM 1208 CA LYS A 401 103.488 21.978 1.060 1.00 0.00 C ATOM 1209 C LYS A 401 102.358 22.375 0.116 1.00 0.00 C ATOM 1210 O LYS A 401 101.786 23.458 0.239 1.00 0.00 O ATOM 1211 CB LYS A 401 104.826 22.452 0.482 1.00 0.00 C ATOM 1212 CG LYS A 401 105.984 22.027 1.400 1.00 0.00 C ATOM 1213 CD LYS A 401 106.118 23.004 2.576 1.00 0.00 C ATOM 1214 CE LYS A 401 107.386 22.674 3.367 1.00 0.00 C ATOM 1215 NZ LYS A 401 107.370 21.235 3.752 1.00 0.00 N ATOM 0 H LYS A 401 104.434 20.107 1.183 1.00 0.00 H new ATOM 0 HA LYS A 401 103.324 22.451 2.028 1.00 0.00 H new ATOM 0 HB2 LYS A 401 104.969 22.032 -0.514 1.00 0.00 H new ATOM 0 HB3 LYS A 401 104.819 23.536 0.372 1.00 0.00 H new ATOM 0 HG2 LYS A 401 105.809 21.018 1.774 1.00 0.00 H new ATOM 0 HG3 LYS A 401 106.915 21.999 0.833 1.00 0.00 H new ATOM 0 HD2 LYS A 401 106.162 24.029 2.209 1.00 0.00 H new ATOM 0 HD3 LYS A 401 105.244 22.934 3.223 1.00 0.00 H new ATOM 0 HE2 LYS A 401 108.269 22.891 2.766 1.00 0.00 H new ATOM 0 HE3 LYS A 401 107.445 23.299 4.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 401 107.870 21.112 4.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 401 106.386 20.914 3.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 401 107.843 20.673 3.015 1.00 0.00 H new ATOM 1229 N ALA A 402 102.042 21.493 -0.826 1.00 0.00 N ATOM 1230 CA ALA A 402 100.979 21.764 -1.786 1.00 0.00 C ATOM 1231 C ALA A 402 99.628 21.851 -1.082 1.00 0.00 C ATOM 1232 O ALA A 402 98.777 22.657 -1.451 1.00 0.00 O ATOM 1233 CB ALA A 402 100.936 20.658 -2.843 1.00 0.00 C ATOM 0 H ALA A 402 102.503 20.591 -0.945 1.00 0.00 H new ATOM 0 HA ALA A 402 101.186 22.720 -2.268 1.00 0.00 H new ATOM 0 HB1 ALA A 402 100.139 20.868 -3.557 1.00 0.00 H new ATOM 0 HB2 ALA A 402 101.891 20.618 -3.367 1.00 0.00 H new ATOM 0 HB3 ALA A 402 100.747 19.700 -2.359 1.00 0.00 H new ATOM 1239 N VAL A 403 99.439 21.013 -0.067 1.00 0.00 N ATOM 1240 CA VAL A 403 98.186 21.000 0.683 1.00 0.00 C ATOM 1241 C VAL A 403 97.702 22.421 0.961 1.00 0.00 C ATOM 1242 O VAL A 403 96.509 22.709 0.864 1.00 0.00 O ATOM 1243 CB VAL A 403 98.381 20.260 2.007 1.00 0.00 C ATOM 1244 CG1 VAL A 403 97.083 20.308 2.816 1.00 0.00 C ATOM 1245 CG2 VAL A 403 98.748 18.801 1.725 1.00 0.00 C ATOM 0 H VAL A 403 100.133 20.338 0.254 1.00 0.00 H new ATOM 0 HA VAL A 403 97.434 20.488 0.082 1.00 0.00 H new ATOM 0 HB VAL A 403 99.181 20.736 2.574 1.00 0.00 H new ATOM 0 HG11 VAL A 403 97.223 19.780 3.760 1.00 0.00 H new ATOM 0 HG12 VAL A 403 96.817 21.346 3.017 1.00 0.00 H new ATOM 0 HG13 VAL A 403 96.283 19.832 2.249 1.00 0.00 H new ATOM 0 HG21 VAL A 403 98.887 18.272 2.668 1.00 0.00 H new ATOM 0 HG22 VAL A 403 97.947 18.327 1.158 1.00 0.00 H new ATOM 0 HG23 VAL A 403 99.672 18.763 1.148 1.00 0.00 H new ATOM 1255 N SER A 404 98.631 23.302 1.312 1.00 0.00 N ATOM 1256 CA SER A 404 98.284 24.688 1.607 1.00 0.00 C ATOM 1257 C SER A 404 98.024 25.467 0.321 1.00 0.00 C ATOM 1258 O SER A 404 97.340 26.491 0.332 1.00 0.00 O ATOM 1259 CB SER A 404 99.417 25.355 2.387 1.00 0.00 C ATOM 1260 OG SER A 404 99.211 26.761 2.403 1.00 0.00 O ATOM 0 H SER A 404 99.624 23.084 1.399 1.00 0.00 H new ATOM 0 HA SER A 404 97.375 24.692 2.208 1.00 0.00 H new ATOM 0 HB2 SER A 404 99.449 24.969 3.406 1.00 0.00 H new ATOM 0 HB3 SER A 404 100.377 25.122 1.927 1.00 0.00 H new ATOM 0 HG SER A 404 99.935 27.192 2.904 1.00 0.00 H new ATOM 1266 N THR A 405 98.575 24.977 -0.787 1.00 0.00 N ATOM 1267 CA THR A 405 98.397 25.640 -2.076 1.00 0.00 C ATOM 1268 C THR A 405 97.051 25.270 -2.693 1.00 0.00 C ATOM 1269 O THR A 405 96.896 25.274 -3.914 1.00 0.00 O ATOM 1270 CB THR A 405 99.524 25.239 -3.032 1.00 0.00 C ATOM 1271 OG1 THR A 405 99.372 23.872 -3.392 1.00 0.00 O ATOM 1272 CG2 THR A 405 100.876 25.441 -2.345 1.00 0.00 C ATOM 0 H THR A 405 99.144 24.131 -0.819 1.00 0.00 H new ATOM 0 HA THR A 405 98.424 26.717 -1.912 1.00 0.00 H new ATOM 0 HB THR A 405 99.479 25.859 -3.928 1.00 0.00 H new ATOM 0 HG1 THR A 405 98.860 23.406 -2.698 1.00 0.00 H new ATOM 0 HG21 THR A 405 101.677 25.155 -3.027 1.00 0.00 H new ATOM 0 HG22 THR A 405 100.991 26.489 -2.069 1.00 0.00 H new ATOM 0 HG23 THR A 405 100.925 24.823 -1.449 1.00 0.00 H new ATOM 1280 N LEU A 406 96.077 24.951 -1.839 1.00 0.00 N ATOM 1281 CA LEU A 406 94.735 24.578 -2.299 1.00 0.00 C ATOM 1282 C LEU A 406 93.716 25.613 -1.806 1.00 0.00 C ATOM 1283 O LEU A 406 93.894 26.190 -0.735 1.00 0.00 O ATOM 1284 CB LEU A 406 94.370 23.196 -1.745 1.00 0.00 C ATOM 1285 CG LEU A 406 95.533 22.222 -1.964 1.00 0.00 C ATOM 1286 CD1 LEU A 406 95.180 20.864 -1.351 1.00 0.00 C ATOM 1287 CD2 LEU A 406 95.791 22.053 -3.467 1.00 0.00 C ATOM 0 H LEU A 406 96.191 24.943 -0.825 1.00 0.00 H new ATOM 0 HA LEU A 406 94.721 24.548 -3.388 1.00 0.00 H new ATOM 0 HB2 LEU A 406 94.141 23.270 -0.682 1.00 0.00 H new ATOM 0 HB3 LEU A 406 93.473 22.822 -2.239 1.00 0.00 H new ATOM 0 HG LEU A 406 96.430 22.617 -1.487 1.00 0.00 H new ATOM 0 HD11 LEU A 406 96.006 20.169 -1.505 1.00 0.00 H new ATOM 0 HD12 LEU A 406 95.001 20.983 -0.282 1.00 0.00 H new ATOM 0 HD13 LEU A 406 94.282 20.472 -1.828 1.00 0.00 H new ATOM 0 HD21 LEU A 406 96.618 21.360 -3.618 1.00 0.00 H new ATOM 0 HD22 LEU A 406 94.895 21.660 -3.948 1.00 0.00 H new ATOM 0 HD23 LEU A 406 96.043 23.019 -3.904 1.00 0.00 H new ATOM 1299 N PRO A 407 92.663 25.867 -2.551 1.00 0.00 N ATOM 1300 CA PRO A 407 91.625 26.863 -2.142 1.00 0.00 C ATOM 1301 C PRO A 407 90.841 26.400 -0.914 1.00 0.00 C ATOM 1302 O PRO A 407 90.934 25.242 -0.505 1.00 0.00 O ATOM 1303 CB PRO A 407 90.721 26.981 -3.382 1.00 0.00 C ATOM 1304 CG PRO A 407 90.894 25.686 -4.109 1.00 0.00 C ATOM 1305 CD PRO A 407 92.336 25.246 -3.849 1.00 0.00 C ATOM 0 HA PRO A 407 92.060 27.818 -1.847 1.00 0.00 H new ATOM 0 HB2 PRO A 407 89.680 27.139 -3.099 1.00 0.00 H new ATOM 0 HB3 PRO A 407 91.014 27.826 -4.005 1.00 0.00 H new ATOM 0 HG2 PRO A 407 90.187 24.939 -3.749 1.00 0.00 H new ATOM 0 HG3 PRO A 407 90.710 25.810 -5.176 1.00 0.00 H new ATOM 0 HD2 PRO A 407 92.422 24.160 -3.806 1.00 0.00 H new ATOM 0 HD3 PRO A 407 93.007 25.588 -4.637 1.00 0.00 H new ATOM 1313 N ALA A 408 90.072 27.314 -0.332 1.00 0.00 N ATOM 1314 CA ALA A 408 89.278 26.995 0.850 1.00 0.00 C ATOM 1315 C ALA A 408 88.357 25.811 0.578 1.00 0.00 C ATOM 1316 O ALA A 408 88.326 24.848 1.345 1.00 0.00 O ATOM 1317 CB ALA A 408 88.443 28.210 1.259 1.00 0.00 C ATOM 0 H ALA A 408 89.981 28.277 -0.657 1.00 0.00 H new ATOM 0 HA ALA A 408 89.958 26.730 1.660 1.00 0.00 H new ATOM 0 HB1 ALA A 408 87.853 27.965 2.142 1.00 0.00 H new ATOM 0 HB2 ALA A 408 89.104 29.046 1.485 1.00 0.00 H new ATOM 0 HB3 ALA A 408 87.776 28.485 0.442 1.00 0.00 H new ATOM 1323 N ASP A 409 87.606 25.888 -0.516 1.00 0.00 N ATOM 1324 CA ASP A 409 86.682 24.818 -0.879 1.00 0.00 C ATOM 1325 C ASP A 409 87.325 23.448 -0.676 1.00 0.00 C ATOM 1326 O ASP A 409 86.700 22.533 -0.141 1.00 0.00 O ATOM 1327 CB ASP A 409 86.258 24.971 -2.342 1.00 0.00 C ATOM 1328 CG ASP A 409 85.740 26.383 -2.590 1.00 0.00 C ATOM 1329 OD1 ASP A 409 86.465 27.320 -2.296 1.00 0.00 O ATOM 1330 OD2 ASP A 409 84.625 26.507 -3.070 1.00 0.00 O ATOM 0 H ASP A 409 87.618 26.676 -1.164 1.00 0.00 H new ATOM 0 HA ASP A 409 85.807 24.890 -0.233 1.00 0.00 H new ATOM 0 HB2 ASP A 409 87.104 24.765 -2.998 1.00 0.00 H new ATOM 0 HB3 ASP A 409 85.483 24.243 -2.583 1.00 0.00 H new ATOM 1335 N VAL A 410 88.574 23.313 -1.110 1.00 0.00 N ATOM 1336 CA VAL A 410 89.287 22.047 -0.972 1.00 0.00 C ATOM 1337 C VAL A 410 89.725 21.827 0.473 1.00 0.00 C ATOM 1338 O VAL A 410 89.462 20.776 1.055 1.00 0.00 O ATOM 1339 CB VAL A 410 90.512 22.036 -1.891 1.00 0.00 C ATOM 1340 CG1 VAL A 410 91.317 20.753 -1.660 1.00 0.00 C ATOM 1341 CG2 VAL A 410 90.054 22.096 -3.353 1.00 0.00 C ATOM 0 H VAL A 410 89.110 24.057 -1.556 1.00 0.00 H new ATOM 0 HA VAL A 410 88.612 21.240 -1.257 1.00 0.00 H new ATOM 0 HB VAL A 410 91.138 22.900 -1.670 1.00 0.00 H new ATOM 0 HG11 VAL A 410 92.188 20.747 -2.315 1.00 0.00 H new ATOM 0 HG12 VAL A 410 91.644 20.711 -0.621 1.00 0.00 H new ATOM 0 HG13 VAL A 410 90.692 19.887 -1.879 1.00 0.00 H new ATOM 0 HG21 VAL A 410 90.925 22.088 -4.008 1.00 0.00 H new ATOM 0 HG22 VAL A 410 89.427 21.232 -3.573 1.00 0.00 H new ATOM 0 HG23 VAL A 410 89.484 23.010 -3.518 1.00 0.00 H new ATOM 1351 N GLN A 411 90.394 22.822 1.046 1.00 0.00 N ATOM 1352 CA GLN A 411 90.864 22.719 2.424 1.00 0.00 C ATOM 1353 C GLN A 411 89.686 22.703 3.394 1.00 0.00 C ATOM 1354 O GLN A 411 89.870 22.608 4.607 1.00 0.00 O ATOM 1355 CB GLN A 411 91.780 23.900 2.753 1.00 0.00 C ATOM 1356 CG GLN A 411 92.957 23.921 1.776 1.00 0.00 C ATOM 1357 CD GLN A 411 94.002 24.930 2.241 1.00 0.00 C ATOM 1358 OE1 GLN A 411 93.867 26.128 1.986 1.00 0.00 O ATOM 1359 NE2 GLN A 411 95.041 24.517 2.913 1.00 0.00 N ATOM 0 H GLN A 411 90.622 23.702 0.583 1.00 0.00 H new ATOM 0 HA GLN A 411 91.419 21.787 2.529 1.00 0.00 H new ATOM 0 HB2 GLN A 411 91.223 24.835 2.688 1.00 0.00 H new ATOM 0 HB3 GLN A 411 92.145 23.817 3.777 1.00 0.00 H new ATOM 0 HG2 GLN A 411 93.402 22.928 1.709 1.00 0.00 H new ATOM 0 HG3 GLN A 411 92.607 24.182 0.777 1.00 0.00 H new ATOM 0 HE21 GLN A 411 95.151 23.525 3.123 1.00 0.00 H new ATOM 0 HE22 GLN A 411 95.743 25.186 3.228 1.00 0.00 H new ATOM 1368 N ALA A 412 88.476 22.800 2.849 1.00 0.00 N ATOM 1369 CA ALA A 412 87.268 22.800 3.673 1.00 0.00 C ATOM 1370 C ALA A 412 86.799 21.375 3.957 1.00 0.00 C ATOM 1371 O ALA A 412 86.357 21.068 5.064 1.00 0.00 O ATOM 1372 CB ALA A 412 86.154 23.569 2.961 1.00 0.00 C ATOM 0 H ALA A 412 88.305 22.879 1.847 1.00 0.00 H new ATOM 0 HA ALA A 412 87.503 23.284 4.621 1.00 0.00 H new ATOM 0 HB1 ALA A 412 85.257 23.566 3.580 1.00 0.00 H new ATOM 0 HB2 ALA A 412 86.473 24.597 2.790 1.00 0.00 H new ATOM 0 HB3 ALA A 412 85.937 23.093 2.005 1.00 0.00 H new ATOM 1378 N LYS A 413 86.890 20.511 2.950 1.00 0.00 N ATOM 1379 CA LYS A 413 86.462 19.121 3.106 1.00 0.00 C ATOM 1380 C LYS A 413 87.532 18.315 3.838 1.00 0.00 C ATOM 1381 O LYS A 413 87.448 17.091 3.928 1.00 0.00 O ATOM 1382 CB LYS A 413 86.174 18.499 1.724 1.00 0.00 C ATOM 1383 CG LYS A 413 85.746 19.600 0.734 1.00 0.00 C ATOM 1384 CD LYS A 413 84.870 19.005 -0.394 1.00 0.00 C ATOM 1385 CE LYS A 413 83.386 19.061 -0.002 1.00 0.00 C ATOM 1386 NZ LYS A 413 83.240 18.777 1.454 1.00 0.00 N ATOM 0 H LYS A 413 87.252 20.744 2.025 1.00 0.00 H new ATOM 0 HA LYS A 413 85.548 19.099 3.699 1.00 0.00 H new ATOM 0 HB2 LYS A 413 87.063 17.989 1.352 1.00 0.00 H new ATOM 0 HB3 LYS A 413 85.388 17.749 1.810 1.00 0.00 H new ATOM 0 HG2 LYS A 413 85.192 20.376 1.262 1.00 0.00 H new ATOM 0 HG3 LYS A 413 86.629 20.074 0.305 1.00 0.00 H new ATOM 0 HD2 LYS A 413 85.030 19.559 -1.319 1.00 0.00 H new ATOM 0 HD3 LYS A 413 85.164 17.973 -0.586 1.00 0.00 H new ATOM 0 HE2 LYS A 413 82.976 20.044 -0.234 1.00 0.00 H new ATOM 0 HE3 LYS A 413 82.819 18.334 -0.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 82.232 18.782 1.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 83.647 17.844 1.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 83.740 19.506 2.002 1.00 0.00 H new ATOM 1400 N ASN A 414 88.530 19.015 4.359 1.00 0.00 N ATOM 1401 CA ASN A 414 89.611 18.367 5.087 1.00 0.00 C ATOM 1402 C ASN A 414 90.303 17.310 4.227 1.00 0.00 C ATOM 1403 O ASN A 414 90.113 16.111 4.430 1.00 0.00 O ATOM 1404 CB ASN A 414 89.068 17.716 6.361 1.00 0.00 C ATOM 1405 CG ASN A 414 90.218 17.373 7.302 1.00 0.00 C ATOM 1406 OD1 ASN A 414 90.328 17.947 8.385 1.00 0.00 O ATOM 1407 ND2 ASN A 414 91.086 16.463 6.952 1.00 0.00 N ATOM 0 H ASN A 414 88.613 20.029 4.291 1.00 0.00 H new ATOM 0 HA ASN A 414 90.344 19.130 5.349 1.00 0.00 H new ATOM 0 HB2 ASN A 414 88.371 18.392 6.856 1.00 0.00 H new ATOM 0 HB3 ASN A 414 88.512 16.813 6.109 1.00 0.00 H new ATOM 0 HD21 ASN A 414 91.857 16.227 7.577 1.00 0.00 H new ATOM 0 HD22 ASN A 414 90.993 15.988 6.054 1.00 0.00 H new ATOM 1414 N PRO A 415 91.102 17.735 3.284 1.00 0.00 N ATOM 1415 CA PRO A 415 91.850 16.810 2.378 1.00 0.00 C ATOM 1416 C PRO A 415 92.660 15.773 3.159 1.00 0.00 C ATOM 1417 O PRO A 415 93.345 16.110 4.126 1.00 0.00 O ATOM 1418 CB PRO A 415 92.770 17.752 1.580 1.00 0.00 C ATOM 1419 CG PRO A 415 92.088 19.082 1.621 1.00 0.00 C ATOM 1420 CD PRO A 415 91.380 19.146 2.974 1.00 0.00 C ATOM 0 HA PRO A 415 91.185 16.224 1.744 1.00 0.00 H new ATOM 0 HB2 PRO A 415 93.764 17.804 2.025 1.00 0.00 H new ATOM 0 HB3 PRO A 415 92.897 17.405 0.555 1.00 0.00 H new ATOM 0 HG2 PRO A 415 92.808 19.894 1.518 1.00 0.00 H new ATOM 0 HG3 PRO A 415 91.376 19.182 0.802 1.00 0.00 H new ATOM 0 HD2 PRO A 415 92.010 19.607 3.735 1.00 0.00 H new ATOM 0 HD3 PRO A 415 90.463 19.733 2.920 1.00 0.00 H new ATOM 1428 N TRP A 416 92.580 14.511 2.733 1.00 0.00 N ATOM 1429 CA TRP A 416 93.310 13.426 3.397 1.00 0.00 C ATOM 1430 C TRP A 416 94.124 12.630 2.380 1.00 0.00 C ATOM 1431 O TRP A 416 93.635 12.305 1.297 1.00 0.00 O ATOM 1432 CB TRP A 416 92.329 12.496 4.114 1.00 0.00 C ATOM 1433 CG TRP A 416 91.434 11.838 3.113 1.00 0.00 C ATOM 1434 CD1 TRP A 416 90.561 12.483 2.306 1.00 0.00 C ATOM 1435 CD2 TRP A 416 91.306 10.420 2.804 1.00 0.00 C ATOM 1436 NE1 TRP A 416 89.906 11.553 1.521 1.00 0.00 N ATOM 1437 CE2 TRP A 416 90.332 10.266 1.790 1.00 0.00 C ATOM 1438 CE3 TRP A 416 91.937 9.264 3.298 1.00 0.00 C ATOM 1439 CZ2 TRP A 416 89.994 9.010 1.284 1.00 0.00 C ATOM 1440 CZ3 TRP A 416 91.599 7.997 2.792 1.00 0.00 C ATOM 1441 CH2 TRP A 416 90.629 7.872 1.787 1.00 0.00 C ATOM 0 H TRP A 416 92.019 14.214 1.934 1.00 0.00 H new ATOM 0 HA TRP A 416 93.990 13.863 4.128 1.00 0.00 H new ATOM 0 HB2 TRP A 416 92.876 11.741 4.679 1.00 0.00 H new ATOM 0 HB3 TRP A 416 91.734 13.062 4.831 1.00 0.00 H new ATOM 0 HD1 TRP A 416 90.402 13.551 2.279 1.00 0.00 H new ATOM 0 HE1 TRP A 416 89.195 11.788 0.828 1.00 0.00 H new ATOM 0 HE3 TRP A 416 92.686 9.351 4.071 1.00 0.00 H new ATOM 0 HZ2 TRP A 416 89.247 8.919 0.509 1.00 0.00 H new ATOM 0 HZ3 TRP A 416 92.089 7.116 3.179 1.00 0.00 H new ATOM 0 HH2 TRP A 416 90.373 6.896 1.402 1.00 0.00 H new ATOM 1452 N ALA A 417 95.368 12.326 2.736 1.00 0.00 N ATOM 1453 CA ALA A 417 96.249 11.574 1.849 1.00 0.00 C ATOM 1454 C ALA A 417 95.826 10.110 1.772 1.00 0.00 C ATOM 1455 O ALA A 417 95.864 9.389 2.770 1.00 0.00 O ATOM 1456 CB ALA A 417 97.691 11.661 2.351 1.00 0.00 C ATOM 0 H ALA A 417 95.788 12.587 3.628 1.00 0.00 H new ATOM 0 HA ALA A 417 96.179 12.010 0.852 1.00 0.00 H new ATOM 0 HB1 ALA A 417 98.343 11.097 1.684 1.00 0.00 H new ATOM 0 HB2 ALA A 417 98.007 12.704 2.371 1.00 0.00 H new ATOM 0 HB3 ALA A 417 97.752 11.244 3.356 1.00 0.00 H new ATOM 1462 N LYS A 418 95.421 9.677 0.578 1.00 0.00 N ATOM 1463 CA LYS A 418 94.987 8.293 0.361 1.00 0.00 C ATOM 1464 C LYS A 418 95.944 7.578 -0.600 1.00 0.00 C ATOM 1465 O LYS A 418 95.687 7.514 -1.803 1.00 0.00 O ATOM 1466 CB LYS A 418 93.572 8.289 -0.231 1.00 0.00 C ATOM 1467 CG LYS A 418 93.448 9.388 -1.297 1.00 0.00 C ATOM 1468 CD LYS A 418 92.261 9.089 -2.234 1.00 0.00 C ATOM 1469 CE LYS A 418 92.694 8.146 -3.366 1.00 0.00 C ATOM 1470 NZ LYS A 418 93.308 8.943 -4.466 1.00 0.00 N ATOM 0 H LYS A 418 95.384 10.264 -0.256 1.00 0.00 H new ATOM 0 HA LYS A 418 94.990 7.768 1.317 1.00 0.00 H new ATOM 0 HB2 LYS A 418 93.356 7.316 -0.672 1.00 0.00 H new ATOM 0 HB3 LYS A 418 92.838 8.451 0.558 1.00 0.00 H new ATOM 0 HG2 LYS A 418 93.307 10.356 -0.817 1.00 0.00 H new ATOM 0 HG3 LYS A 418 94.370 9.450 -1.875 1.00 0.00 H new ATOM 0 HD2 LYS A 418 91.447 8.637 -1.667 1.00 0.00 H new ATOM 0 HD3 LYS A 418 91.878 10.019 -2.654 1.00 0.00 H new ATOM 0 HE2 LYS A 418 93.408 7.413 -2.991 1.00 0.00 H new ATOM 0 HE3 LYS A 418 91.834 7.591 -3.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 418 94.046 8.378 -4.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 418 92.576 9.199 -5.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 418 93.731 9.808 -4.073 1.00 0.00 H new ATOM 1484 N PRO A 419 97.033 7.042 -0.104 1.00 0.00 N ATOM 1485 CA PRO A 419 98.028 6.325 -0.956 1.00 0.00 C ATOM 1486 C PRO A 419 97.359 5.360 -1.933 1.00 0.00 C ATOM 1487 O PRO A 419 96.410 4.661 -1.580 1.00 0.00 O ATOM 1488 CB PRO A 419 98.897 5.582 0.065 1.00 0.00 C ATOM 1489 CG PRO A 419 98.843 6.432 1.292 1.00 0.00 C ATOM 1490 CD PRO A 419 97.443 7.054 1.313 1.00 0.00 C ATOM 0 HA PRO A 419 98.600 7.002 -1.591 1.00 0.00 H new ATOM 0 HB2 PRO A 419 98.513 4.581 0.259 1.00 0.00 H new ATOM 0 HB3 PRO A 419 99.920 5.467 -0.293 1.00 0.00 H new ATOM 0 HG2 PRO A 419 99.019 5.836 2.188 1.00 0.00 H new ATOM 0 HG3 PRO A 419 99.613 7.204 1.266 1.00 0.00 H new ATOM 0 HD2 PRO A 419 96.758 6.476 1.933 1.00 0.00 H new ATOM 0 HD3 PRO A 419 97.461 8.067 1.716 1.00 0.00 H new ATOM 1498 N LEU A 420 97.862 5.331 -3.164 1.00 0.00 N ATOM 1499 CA LEU A 420 97.307 4.451 -4.189 1.00 0.00 C ATOM 1500 C LEU A 420 97.053 3.058 -3.621 1.00 0.00 C ATOM 1501 O LEU A 420 96.255 2.294 -4.158 1.00 0.00 O ATOM 1502 CB LEU A 420 98.271 4.350 -5.376 1.00 0.00 C ATOM 1503 CG LEU A 420 98.574 5.751 -5.935 1.00 0.00 C ATOM 1504 CD1 LEU A 420 99.856 5.702 -6.770 1.00 0.00 C ATOM 1505 CD2 LEU A 420 97.418 6.230 -6.822 1.00 0.00 C ATOM 0 H LEU A 420 98.648 5.902 -3.475 1.00 0.00 H new ATOM 0 HA LEU A 420 96.360 4.874 -4.526 1.00 0.00 H new ATOM 0 HB2 LEU A 420 99.197 3.868 -5.062 1.00 0.00 H new ATOM 0 HB3 LEU A 420 97.835 3.726 -6.156 1.00 0.00 H new ATOM 0 HG LEU A 420 98.698 6.442 -5.101 1.00 0.00 H new ATOM 0 HD11 LEU A 420 100.070 6.695 -7.166 1.00 0.00 H new ATOM 0 HD12 LEU A 420 100.686 5.374 -6.144 1.00 0.00 H new ATOM 0 HD13 LEU A 420 99.726 5.002 -7.596 1.00 0.00 H new ATOM 0 HD21 LEU A 420 97.645 7.223 -7.211 1.00 0.00 H new ATOM 0 HD22 LEU A 420 97.285 5.536 -7.652 1.00 0.00 H new ATOM 0 HD23 LEU A 420 96.501 6.272 -6.234 1.00 0.00 H new ATOM 1517 N ARG A 421 97.740 2.735 -2.532 1.00 0.00 N ATOM 1518 CA ARG A 421 97.579 1.429 -1.903 1.00 0.00 C ATOM 1519 C ARG A 421 96.117 1.188 -1.534 1.00 0.00 C ATOM 1520 O ARG A 421 95.755 0.108 -1.068 1.00 0.00 O ATOM 1521 CB ARG A 421 98.452 1.351 -0.645 1.00 0.00 C ATOM 1522 CG ARG A 421 98.654 -0.111 -0.235 1.00 0.00 C ATOM 1523 CD ARG A 421 99.630 -0.180 0.940 1.00 0.00 C ATOM 1524 NE ARG A 421 99.060 0.479 2.109 1.00 0.00 N ATOM 1525 CZ ARG A 421 98.151 -0.129 2.865 1.00 0.00 C ATOM 1526 NH1 ARG A 421 97.755 -1.335 2.566 1.00 0.00 N ATOM 1527 NH2 ARG A 421 97.654 0.482 3.906 1.00 0.00 N ATOM 0 H ARG A 421 98.408 3.352 -2.069 1.00 0.00 H new ATOM 0 HA ARG A 421 97.890 0.660 -2.610 1.00 0.00 H new ATOM 0 HB2 ARG A 421 99.417 1.821 -0.833 1.00 0.00 H new ATOM 0 HB3 ARG A 421 97.982 1.903 0.168 1.00 0.00 H new ATOM 0 HG2 ARG A 421 97.699 -0.557 0.045 1.00 0.00 H new ATOM 0 HG3 ARG A 421 99.040 -0.686 -1.077 1.00 0.00 H new ATOM 0 HD2 ARG A 421 99.855 -1.220 1.174 1.00 0.00 H new ATOM 0 HD3 ARG A 421 100.572 0.297 0.668 1.00 0.00 H new ATOM 0 HE ARG A 421 99.364 1.422 2.351 1.00 0.00 H new ATOM 0 HH11 ARG A 421 98.143 -1.812 1.752 1.00 0.00 H new ATOM 0 HH12 ARG A 421 97.058 -1.801 3.146 1.00 0.00 H new ATOM 0 HH21 ARG A 421 97.963 1.426 4.139 1.00 0.00 H new ATOM 0 HH22 ARG A 421 96.957 0.016 4.486 1.00 0.00 H new ATOM 1541 N GLN A 422 95.278 2.205 -1.741 1.00 0.00 N ATOM 1542 CA GLN A 422 93.850 2.098 -1.419 1.00 0.00 C ATOM 1543 C GLN A 422 93.013 1.904 -2.678 1.00 0.00 C ATOM 1544 O GLN A 422 92.395 0.855 -2.860 1.00 0.00 O ATOM 1545 CB GLN A 422 93.387 3.360 -0.691 1.00 0.00 C ATOM 1546 CG GLN A 422 93.985 3.387 0.718 1.00 0.00 C ATOM 1547 CD GLN A 422 93.431 4.575 1.496 1.00 0.00 C ATOM 1548 OE1 GLN A 422 93.756 5.722 1.195 1.00 0.00 O ATOM 1549 NE2 GLN A 422 92.607 4.365 2.487 1.00 0.00 N ATOM 0 H GLN A 422 95.558 3.107 -2.127 1.00 0.00 H new ATOM 0 HA GLN A 422 93.714 1.228 -0.777 1.00 0.00 H new ATOM 0 HB2 GLN A 422 93.696 4.246 -1.245 1.00 0.00 H new ATOM 0 HB3 GLN A 422 92.299 3.382 -0.636 1.00 0.00 H new ATOM 0 HG2 GLN A 422 93.751 2.459 1.239 1.00 0.00 H new ATOM 0 HG3 GLN A 422 95.071 3.454 0.660 1.00 0.00 H new ATOM 0 HE21 GLN A 422 92.339 3.412 2.734 1.00 0.00 H new ATOM 0 HE22 GLN A 422 92.231 5.154 3.014 1.00 0.00 H new ATOM 1558 N VAL A 423 92.985 2.915 -3.541 1.00 0.00 N ATOM 1559 CA VAL A 423 92.204 2.828 -4.772 1.00 0.00 C ATOM 1560 C VAL A 423 92.402 1.471 -5.441 1.00 0.00 C ATOM 1561 O VAL A 423 91.615 1.071 -6.298 1.00 0.00 O ATOM 1562 CB VAL A 423 92.605 3.945 -5.734 1.00 0.00 C ATOM 1563 CG1 VAL A 423 94.028 3.706 -6.241 1.00 0.00 C ATOM 1564 CG2 VAL A 423 91.640 3.965 -6.922 1.00 0.00 C ATOM 0 H VAL A 423 93.487 3.794 -3.414 1.00 0.00 H new ATOM 0 HA VAL A 423 91.150 2.940 -4.516 1.00 0.00 H new ATOM 0 HB VAL A 423 92.564 4.901 -5.212 1.00 0.00 H new ATOM 0 HG11 VAL A 423 94.309 4.505 -6.927 1.00 0.00 H new ATOM 0 HG12 VAL A 423 94.718 3.693 -5.397 1.00 0.00 H new ATOM 0 HG13 VAL A 423 94.073 2.749 -6.761 1.00 0.00 H new ATOM 0 HG21 VAL A 423 91.925 4.762 -7.609 1.00 0.00 H new ATOM 0 HG22 VAL A 423 91.681 3.007 -7.440 1.00 0.00 H new ATOM 0 HG23 VAL A 423 90.626 4.141 -6.564 1.00 0.00 H new ATOM 1574 N GLN A 424 93.451 0.761 -5.034 1.00 0.00 N ATOM 1575 CA GLN A 424 93.726 -0.555 -5.593 1.00 0.00 C ATOM 1576 C GLN A 424 92.527 -1.471 -5.369 1.00 0.00 C ATOM 1577 O GLN A 424 92.496 -2.604 -5.849 1.00 0.00 O ATOM 1578 CB GLN A 424 94.976 -1.158 -4.937 1.00 0.00 C ATOM 1579 CG GLN A 424 96.236 -0.558 -5.570 1.00 0.00 C ATOM 1580 CD GLN A 424 97.448 -0.834 -4.688 1.00 0.00 C ATOM 1581 OE1 GLN A 424 98.450 -0.122 -4.765 1.00 0.00 O ATOM 1582 NE2 GLN A 424 97.417 -1.832 -3.847 1.00 0.00 N ATOM 0 H GLN A 424 94.117 1.072 -4.327 1.00 0.00 H new ATOM 0 HA GLN A 424 93.905 -0.455 -6.663 1.00 0.00 H new ATOM 0 HB2 GLN A 424 94.967 -0.960 -3.865 1.00 0.00 H new ATOM 0 HB3 GLN A 424 94.976 -2.241 -5.061 1.00 0.00 H new ATOM 0 HG2 GLN A 424 96.393 -0.984 -6.561 1.00 0.00 H new ATOM 0 HG3 GLN A 424 96.110 0.517 -5.702 1.00 0.00 H new ATOM 0 HE21 GLN A 424 96.586 -2.421 -3.785 1.00 0.00 H new ATOM 0 HE22 GLN A 424 98.223 -2.023 -3.252 1.00 0.00 H new