USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 630 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 353 SER OG : rot -125:sc= 1.43! USER MOD Set 1.2: A 413 LYS NZ :NH3+ 155:sc= 0.79 (180deg=-0.137) USER MOD Set 2.1: A 381 ASN : amide:sc= 0 X(o=0,f=0.28) USER MOD Set 2.2: A 383 GLN : amide:sc= 0 X(o=0,f=0.28) USER MOD Set 3.1: A 362 ASN : amide:sc= 0 K(o=0.018,f=-0.61) USER MOD Set 3.2: A 366 LYS NZ :NH3+ -168:sc= 0.00895 (180deg=-0.0804) USER MOD Set 3.3: A 373 TYR OH : rot 150:sc= 0.00921 USER MOD Single : A 345 SER OG : rot -27:sc= 0.0949 USER MOD Single : A 346 SER OG : rot 180:sc= 0 USER MOD Single : A 347 HIS : no HD1:sc= -0.111 X(o=-0.11,f=0) USER MOD Single : A 348 TYR OH : rot 180:sc= 0 USER MOD Single : A 349 THR OG1 : rot -64:sc= -0.0195 USER MOD Single : A 351 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 354 SER OG : rot 180:sc= -0.0143 USER MOD Single : A 355 SER OG : rot 35:sc= 0.814 USER MOD Single : A 356 SER OG : rot 180:sc= 0 USER MOD Single : A 357 ASN : amide:sc= -2.89! C(o=-2.9!,f=-3.6!) USER MOD Single : A 358 TYR OH : rot 180:sc= 0 USER MOD Single : A 360 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 367 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 369 ASN : amide:sc= -2.54 K(o=-2.5,f=-3.1!) USER MOD Single : A 371 LYS NZ :NH3+ 160:sc=-0.00783 (180deg=-0.631) USER MOD Single : A 372 ASN : amide:sc= -0.287 X(o=-0.29,f=-0.26) USER MOD Single : A 376 TYR OH : rot 165:sc= -0.486 USER MOD Single : A 378 THR OG1 : rot -120:sc= -2.22! USER MOD Single : A 379 THR OG1 : rot 180:sc= 0 USER MOD Single : A 386 TYR OH : rot 180:sc= 0 USER MOD Single : A 390 SER OG : rot 180:sc= -0.136 USER MOD Single : A 393 TYR OH : rot 180:sc= 0 USER MOD Single : A 395 SER OG : rot 180:sc= -0.291! USER MOD Single : A 396 LYS NZ :NH3+ -167:sc= -1.86 (180deg=-2.03!) USER MOD Single : A 400 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 401 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.142) USER MOD Single : A 404 SER OG : rot -102:sc= 0.883 USER MOD Single : A 405 THR OG1 : rot -81:sc= 0.77 USER MOD Single : A 411 GLN : amide:sc=-0.00117 X(o=-0.0012,f=0) USER MOD Single : A 414 ASN : amide:sc= -0.314 X(o=-0.31,f=-0.21) USER MOD Single : A 418 LYS NZ :NH3+ -158:sc= -0.969 (180deg=-2.56!) USER MOD Single : A 422 GLN : amide:sc= -0.175 K(o=-0.18,f=-1.3!) USER MOD Single : A 424 GLN : amide:sc= -2.79! K(o=-2.8!,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 321 N SER A 345 103.389 2.505 -7.362 1.00 0.00 N ATOM 322 CA SER A 345 102.427 2.664 -6.278 1.00 0.00 C ATOM 323 C SER A 345 102.970 3.614 -5.216 1.00 0.00 C ATOM 324 O SER A 345 102.283 3.934 -4.245 1.00 0.00 O ATOM 325 CB SER A 345 102.125 1.306 -5.644 1.00 0.00 C ATOM 326 OG SER A 345 103.328 0.750 -5.131 1.00 0.00 O ATOM 0 HA SER A 345 101.509 3.084 -6.690 1.00 0.00 H new ATOM 0 HB2 SER A 345 101.393 1.420 -4.844 1.00 0.00 H new ATOM 0 HB3 SER A 345 101.687 0.636 -6.384 1.00 0.00 H new ATOM 0 HG SER A 345 104.091 1.096 -5.639 1.00 0.00 H new ATOM 332 N SER A 346 104.206 4.061 -5.407 1.00 0.00 N ATOM 333 CA SER A 346 104.834 4.975 -4.459 1.00 0.00 C ATOM 334 C SER A 346 104.332 6.399 -4.673 1.00 0.00 C ATOM 335 O SER A 346 104.141 7.151 -3.717 1.00 0.00 O ATOM 336 CB SER A 346 106.353 4.938 -4.628 1.00 0.00 C ATOM 337 OG SER A 346 106.839 3.660 -4.238 1.00 0.00 O ATOM 0 H SER A 346 104.790 3.808 -6.204 1.00 0.00 H new ATOM 0 HA SER A 346 104.572 4.658 -3.450 1.00 0.00 H new ATOM 0 HB2 SER A 346 106.620 5.140 -5.665 1.00 0.00 H new ATOM 0 HB3 SER A 346 106.817 5.716 -4.022 1.00 0.00 H new ATOM 0 HG SER A 346 107.813 3.633 -4.347 1.00 0.00 H new ATOM 343 N HIS A 347 104.120 6.764 -5.934 1.00 0.00 N ATOM 344 CA HIS A 347 103.640 8.102 -6.260 1.00 0.00 C ATOM 345 C HIS A 347 102.474 8.489 -5.355 1.00 0.00 C ATOM 346 O HIS A 347 101.621 7.662 -5.037 1.00 0.00 O ATOM 347 CB HIS A 347 103.192 8.155 -7.726 1.00 0.00 C ATOM 348 CG HIS A 347 104.398 8.147 -8.625 1.00 0.00 C ATOM 349 ND1 HIS A 347 104.358 8.640 -9.920 1.00 0.00 N ATOM 350 CD2 HIS A 347 105.687 7.716 -8.427 1.00 0.00 C ATOM 351 CE1 HIS A 347 105.587 8.494 -10.447 1.00 0.00 C ATOM 352 NE2 HIS A 347 106.436 7.936 -9.579 1.00 0.00 N ATOM 0 H HIS A 347 104.272 6.158 -6.740 1.00 0.00 H new ATOM 0 HA HIS A 347 104.456 8.808 -6.104 1.00 0.00 H new ATOM 0 HB2 HIS A 347 102.552 7.302 -7.952 1.00 0.00 H new ATOM 0 HB3 HIS A 347 102.600 9.053 -7.903 1.00 0.00 H new ATOM 0 HD2 HIS A 347 106.062 7.274 -7.516 1.00 0.00 H new ATOM 0 HE1 HIS A 347 105.855 8.792 -11.450 1.00 0.00 H new ATOM 0 HE2 HIS A 347 107.421 7.718 -9.729 1.00 0.00 H new ATOM 361 N TYR A 348 102.443 9.758 -4.951 1.00 0.00 N ATOM 362 CA TYR A 348 101.376 10.264 -4.086 1.00 0.00 C ATOM 363 C TYR A 348 100.342 11.020 -4.914 1.00 0.00 C ATOM 364 O TYR A 348 100.612 11.419 -6.048 1.00 0.00 O ATOM 365 CB TYR A 348 101.966 11.201 -3.024 1.00 0.00 C ATOM 366 CG TYR A 348 102.653 10.387 -1.950 1.00 0.00 C ATOM 367 CD1 TYR A 348 103.848 9.717 -2.238 1.00 0.00 C ATOM 368 CD2 TYR A 348 102.095 10.302 -0.667 1.00 0.00 C ATOM 369 CE1 TYR A 348 104.486 8.964 -1.245 1.00 0.00 C ATOM 370 CE2 TYR A 348 102.733 9.549 0.325 1.00 0.00 C ATOM 371 CZ TYR A 348 103.928 8.879 0.036 1.00 0.00 C ATOM 372 OH TYR A 348 104.557 8.136 1.014 1.00 0.00 O ATOM 0 H TYR A 348 103.143 10.454 -5.208 1.00 0.00 H new ATOM 0 HA TYR A 348 100.892 9.419 -3.596 1.00 0.00 H new ATOM 0 HB2 TYR A 348 102.677 11.887 -3.485 1.00 0.00 H new ATOM 0 HB3 TYR A 348 101.176 11.810 -2.583 1.00 0.00 H new ATOM 0 HD1 TYR A 348 104.278 9.781 -3.227 1.00 0.00 H new ATOM 0 HD2 TYR A 348 101.173 10.818 -0.444 1.00 0.00 H new ATOM 0 HE1 TYR A 348 105.409 8.449 -1.467 1.00 0.00 H new ATOM 0 HE2 TYR A 348 102.304 9.485 1.314 1.00 0.00 H new ATOM 0 HH TYR A 348 104.039 8.183 1.844 1.00 0.00 H new ATOM 382 N THR A 349 99.160 11.214 -4.341 1.00 0.00 N ATOM 383 CA THR A 349 98.089 11.924 -5.034 1.00 0.00 C ATOM 384 C THR A 349 97.096 12.489 -4.026 1.00 0.00 C ATOM 385 O THR A 349 96.154 11.809 -3.621 1.00 0.00 O ATOM 386 CB THR A 349 97.366 10.971 -5.988 1.00 0.00 C ATOM 387 OG1 THR A 349 96.055 11.457 -6.233 1.00 0.00 O ATOM 388 CG2 THR A 349 97.286 9.580 -5.358 1.00 0.00 C ATOM 0 H THR A 349 98.919 10.892 -3.404 1.00 0.00 H new ATOM 0 HA THR A 349 98.523 12.745 -5.604 1.00 0.00 H new ATOM 0 HB THR A 349 97.914 10.910 -6.928 1.00 0.00 H new ATOM 0 HG1 THR A 349 95.540 11.443 -5.400 1.00 0.00 H new ATOM 0 HG21 THR A 349 96.771 8.902 -6.038 1.00 0.00 H new ATOM 0 HG22 THR A 349 98.293 9.208 -5.168 1.00 0.00 H new ATOM 0 HG23 THR A 349 96.737 9.637 -4.418 1.00 0.00 H new ATOM 396 N LEU A 350 97.322 13.731 -3.612 1.00 0.00 N ATOM 397 CA LEU A 350 96.448 14.370 -2.637 1.00 0.00 C ATOM 398 C LEU A 350 94.991 14.268 -3.064 1.00 0.00 C ATOM 399 O LEU A 350 94.676 14.244 -4.254 1.00 0.00 O ATOM 400 CB LEU A 350 96.829 15.843 -2.478 1.00 0.00 C ATOM 401 CG LEU A 350 98.314 15.961 -2.106 1.00 0.00 C ATOM 402 CD1 LEU A 350 98.738 17.431 -2.178 1.00 0.00 C ATOM 403 CD2 LEU A 350 98.549 15.424 -0.683 1.00 0.00 C ATOM 0 H LEU A 350 98.097 14.311 -3.934 1.00 0.00 H new ATOM 0 HA LEU A 350 96.570 13.855 -1.684 1.00 0.00 H new ATOM 0 HB2 LEU A 350 96.634 16.380 -3.406 1.00 0.00 H new ATOM 0 HB3 LEU A 350 96.214 16.306 -1.706 1.00 0.00 H new ATOM 0 HG LEU A 350 98.907 15.372 -2.806 1.00 0.00 H new ATOM 0 HD11 LEU A 350 99.792 17.519 -1.914 1.00 0.00 H new ATOM 0 HD12 LEU A 350 98.585 17.805 -3.190 1.00 0.00 H new ATOM 0 HD13 LEU A 350 98.139 18.017 -1.480 1.00 0.00 H new ATOM 0 HD21 LEU A 350 99.606 15.513 -0.430 1.00 0.00 H new ATOM 0 HD22 LEU A 350 97.956 16.002 0.026 1.00 0.00 H new ATOM 0 HD23 LEU A 350 98.252 14.376 -0.636 1.00 0.00 H new ATOM 415 N GLN A 351 94.105 14.204 -2.075 1.00 0.00 N ATOM 416 CA GLN A 351 92.677 14.099 -2.335 1.00 0.00 C ATOM 417 C GLN A 351 92.078 15.480 -2.576 1.00 0.00 C ATOM 418 O GLN A 351 92.726 16.501 -2.346 1.00 0.00 O ATOM 419 CB GLN A 351 91.983 13.428 -1.142 1.00 0.00 C ATOM 420 CG GLN A 351 90.510 13.148 -1.476 1.00 0.00 C ATOM 421 CD GLN A 351 89.957 12.070 -0.547 1.00 0.00 C ATOM 422 OE1 GLN A 351 90.142 10.878 -0.796 1.00 0.00 O ATOM 423 NE2 GLN A 351 89.285 12.420 0.515 1.00 0.00 N ATOM 0 H GLN A 351 94.353 14.223 -1.086 1.00 0.00 H new ATOM 0 HA GLN A 351 92.525 13.493 -3.228 1.00 0.00 H new ATOM 0 HB2 GLN A 351 92.491 12.496 -0.893 1.00 0.00 H new ATOM 0 HB3 GLN A 351 92.049 14.071 -0.264 1.00 0.00 H new ATOM 0 HG2 GLN A 351 89.926 14.062 -1.373 1.00 0.00 H new ATOM 0 HG3 GLN A 351 90.419 12.827 -2.514 1.00 0.00 H new ATOM 0 HE21 GLN A 351 89.133 13.408 0.720 1.00 0.00 H new ATOM 0 HE22 GLN A 351 88.912 11.706 1.141 1.00 0.00 H new ATOM 432 N LEU A 352 90.832 15.498 -3.040 1.00 0.00 N ATOM 433 CA LEU A 352 90.127 16.752 -3.317 1.00 0.00 C ATOM 434 C LEU A 352 88.946 16.913 -2.362 1.00 0.00 C ATOM 435 O LEU A 352 88.967 17.772 -1.480 1.00 0.00 O ATOM 436 CB LEU A 352 89.640 16.754 -4.777 1.00 0.00 C ATOM 437 CG LEU A 352 90.730 17.322 -5.705 1.00 0.00 C ATOM 438 CD1 LEU A 352 92.076 16.632 -5.427 1.00 0.00 C ATOM 439 CD2 LEU A 352 90.320 17.091 -7.165 1.00 0.00 C ATOM 0 H LEU A 352 90.286 14.658 -3.233 1.00 0.00 H new ATOM 0 HA LEU A 352 90.808 17.590 -3.167 1.00 0.00 H new ATOM 0 HB2 LEU A 352 89.385 15.740 -5.083 1.00 0.00 H new ATOM 0 HB3 LEU A 352 88.732 17.351 -4.864 1.00 0.00 H new ATOM 0 HG LEU A 352 90.840 18.390 -5.519 1.00 0.00 H new ATOM 0 HD11 LEU A 352 92.839 17.042 -6.089 1.00 0.00 H new ATOM 0 HD12 LEU A 352 92.365 16.803 -4.390 1.00 0.00 H new ATOM 0 HD13 LEU A 352 91.979 15.561 -5.604 1.00 0.00 H new ATOM 0 HD21 LEU A 352 91.088 17.491 -7.826 1.00 0.00 H new ATOM 0 HD22 LEU A 352 90.206 16.022 -7.346 1.00 0.00 H new ATOM 0 HD23 LEU A 352 89.374 17.595 -7.361 1.00 0.00 H new ATOM 451 N SER A 353 87.915 16.092 -2.542 1.00 0.00 N ATOM 452 CA SER A 353 86.734 16.172 -1.683 1.00 0.00 C ATOM 453 C SER A 353 85.993 14.840 -1.644 1.00 0.00 C ATOM 454 O SER A 353 86.562 13.791 -1.945 1.00 0.00 O ATOM 455 CB SER A 353 85.796 17.267 -2.194 1.00 0.00 C ATOM 456 OG SER A 353 84.659 17.347 -1.346 1.00 0.00 O ATOM 0 H SER A 353 87.871 15.373 -3.264 1.00 0.00 H new ATOM 0 HA SER A 353 87.063 16.412 -0.672 1.00 0.00 H new ATOM 0 HB2 SER A 353 86.315 18.225 -2.216 1.00 0.00 H new ATOM 0 HB3 SER A 353 85.487 17.049 -3.216 1.00 0.00 H new ATOM 0 HG SER A 353 83.844 17.251 -1.882 1.00 0.00 H new ATOM 462 N SER A 354 84.716 14.892 -1.269 1.00 0.00 N ATOM 463 CA SER A 354 83.896 13.687 -1.188 1.00 0.00 C ATOM 464 C SER A 354 82.420 14.032 -1.361 1.00 0.00 C ATOM 465 O SER A 354 82.013 15.178 -1.167 1.00 0.00 O ATOM 466 CB SER A 354 84.106 13.004 0.164 1.00 0.00 C ATOM 467 OG SER A 354 83.440 11.748 0.163 1.00 0.00 O ATOM 0 H SER A 354 84.229 15.752 -1.018 1.00 0.00 H new ATOM 0 HA SER A 354 84.196 13.010 -1.988 1.00 0.00 H new ATOM 0 HB2 SER A 354 85.170 12.864 0.353 1.00 0.00 H new ATOM 0 HB3 SER A 354 83.720 13.633 0.966 1.00 0.00 H new ATOM 0 HG SER A 354 83.574 11.306 1.027 1.00 0.00 H new ATOM 473 N SER A 355 81.625 13.030 -1.721 1.00 0.00 N ATOM 474 CA SER A 355 80.190 13.224 -1.916 1.00 0.00 C ATOM 475 C SER A 355 79.555 11.934 -2.430 1.00 0.00 C ATOM 476 O SER A 355 80.221 10.905 -2.542 1.00 0.00 O ATOM 477 CB SER A 355 79.942 14.371 -2.909 1.00 0.00 C ATOM 478 OG SER A 355 79.943 15.607 -2.206 1.00 0.00 O ATOM 0 H SER A 355 81.948 12.076 -1.884 1.00 0.00 H new ATOM 0 HA SER A 355 79.734 13.484 -0.961 1.00 0.00 H new ATOM 0 HB2 SER A 355 80.715 14.376 -3.678 1.00 0.00 H new ATOM 0 HB3 SER A 355 78.988 14.229 -3.417 1.00 0.00 H new ATOM 0 HG SER A 355 80.592 15.566 -1.473 1.00 0.00 H new ATOM 484 N SER A 356 78.259 11.992 -2.732 1.00 0.00 N ATOM 485 CA SER A 356 77.537 10.817 -3.226 1.00 0.00 C ATOM 486 C SER A 356 76.523 11.213 -4.294 1.00 0.00 C ATOM 487 O SER A 356 75.361 10.810 -4.240 1.00 0.00 O ATOM 488 CB SER A 356 76.816 10.132 -2.068 1.00 0.00 C ATOM 489 OG SER A 356 77.772 9.503 -1.225 1.00 0.00 O ATOM 0 H SER A 356 77.689 12.833 -2.645 1.00 0.00 H new ATOM 0 HA SER A 356 78.259 10.131 -3.669 1.00 0.00 H new ATOM 0 HB2 SER A 356 76.239 10.862 -1.501 1.00 0.00 H new ATOM 0 HB3 SER A 356 76.110 9.395 -2.450 1.00 0.00 H new ATOM 0 HG SER A 356 77.312 9.064 -0.479 1.00 0.00 H new ATOM 495 N ASN A 357 76.973 11.999 -5.265 1.00 0.00 N ATOM 496 CA ASN A 357 76.101 12.443 -6.346 1.00 0.00 C ATOM 497 C ASN A 357 76.937 12.960 -7.513 1.00 0.00 C ATOM 498 O ASN A 357 77.790 13.826 -7.337 1.00 0.00 O ATOM 499 CB ASN A 357 75.169 13.551 -5.845 1.00 0.00 C ATOM 500 CG ASN A 357 74.055 12.954 -4.990 1.00 0.00 C ATOM 501 OD1 ASN A 357 73.397 12.000 -5.403 1.00 0.00 O ATOM 502 ND2 ASN A 357 73.805 13.461 -3.813 1.00 0.00 N ATOM 0 H ASN A 357 77.932 12.341 -5.326 1.00 0.00 H new ATOM 0 HA ASN A 357 75.501 11.598 -6.685 1.00 0.00 H new ATOM 0 HB2 ASN A 357 75.736 14.277 -5.262 1.00 0.00 H new ATOM 0 HB3 ASN A 357 74.740 14.087 -6.692 1.00 0.00 H new ATOM 0 HD21 ASN A 357 73.063 13.066 -3.235 1.00 0.00 H new ATOM 0 HD22 ASN A 357 74.351 14.252 -3.472 1.00 0.00 H new ATOM 509 N TYR A 358 76.688 12.423 -8.705 1.00 0.00 N ATOM 510 CA TYR A 358 77.431 12.840 -9.892 1.00 0.00 C ATOM 511 C TYR A 358 76.859 14.135 -10.458 1.00 0.00 C ATOM 512 O TYR A 358 77.507 15.181 -10.420 1.00 0.00 O ATOM 513 CB TYR A 358 77.369 11.746 -10.959 1.00 0.00 C ATOM 514 CG TYR A 358 78.354 12.059 -12.062 1.00 0.00 C ATOM 515 CD1 TYR A 358 78.039 13.021 -13.030 1.00 0.00 C ATOM 516 CD2 TYR A 358 79.584 11.390 -12.116 1.00 0.00 C ATOM 517 CE1 TYR A 358 78.951 13.312 -14.051 1.00 0.00 C ATOM 518 CE2 TYR A 358 80.496 11.682 -13.137 1.00 0.00 C ATOM 519 CZ TYR A 358 80.180 12.644 -14.105 1.00 0.00 C ATOM 520 OH TYR A 358 81.079 12.931 -15.111 1.00 0.00 O ATOM 0 H TYR A 358 75.984 11.705 -8.874 1.00 0.00 H new ATOM 0 HA TYR A 358 78.468 13.010 -9.604 1.00 0.00 H new ATOM 0 HB2 TYR A 358 77.600 10.777 -10.515 1.00 0.00 H new ATOM 0 HB3 TYR A 358 76.360 11.678 -11.367 1.00 0.00 H new ATOM 0 HD1 TYR A 358 77.092 13.538 -12.989 1.00 0.00 H new ATOM 0 HD2 TYR A 358 79.829 10.649 -11.370 1.00 0.00 H new ATOM 0 HE1 TYR A 358 78.706 14.053 -14.798 1.00 0.00 H new ATOM 0 HE2 TYR A 358 81.444 11.165 -13.178 1.00 0.00 H new ATOM 0 HH TYR A 358 81.881 12.379 -15.000 1.00 0.00 H new ATOM 530 N ASP A 359 75.643 14.056 -10.989 1.00 0.00 N ATOM 531 CA ASP A 359 74.992 15.227 -11.568 1.00 0.00 C ATOM 532 C ASP A 359 75.130 16.439 -10.651 1.00 0.00 C ATOM 533 O ASP A 359 74.875 17.571 -11.063 1.00 0.00 O ATOM 534 CB ASP A 359 73.510 14.935 -11.807 1.00 0.00 C ATOM 535 CG ASP A 359 72.899 16.025 -12.680 1.00 0.00 C ATOM 536 OD1 ASP A 359 73.541 16.417 -13.641 1.00 0.00 O ATOM 537 OD2 ASP A 359 71.798 16.454 -12.375 1.00 0.00 O ATOM 0 H ASP A 359 75.091 13.199 -11.031 1.00 0.00 H new ATOM 0 HA ASP A 359 75.480 15.451 -12.517 1.00 0.00 H new ATOM 0 HB2 ASP A 359 73.395 13.964 -12.289 1.00 0.00 H new ATOM 0 HB3 ASP A 359 72.983 14.882 -10.854 1.00 0.00 H new ATOM 542 N ASN A 360 75.533 16.197 -9.403 1.00 0.00 N ATOM 543 CA ASN A 360 75.704 17.279 -8.430 1.00 0.00 C ATOM 544 C ASN A 360 77.183 17.604 -8.245 1.00 0.00 C ATOM 545 O ASN A 360 77.539 18.720 -7.865 1.00 0.00 O ATOM 546 CB ASN A 360 75.100 16.865 -7.085 1.00 0.00 C ATOM 547 CG ASN A 360 74.907 18.091 -6.198 1.00 0.00 C ATOM 548 OD1 ASN A 360 75.598 18.246 -5.191 1.00 0.00 O ATOM 549 ND2 ASN A 360 74.002 18.977 -6.514 1.00 0.00 N ATOM 0 H ASN A 360 75.746 15.267 -9.043 1.00 0.00 H new ATOM 0 HA ASN A 360 75.193 18.166 -8.804 1.00 0.00 H new ATOM 0 HB2 ASN A 360 74.143 16.368 -7.245 1.00 0.00 H new ATOM 0 HB3 ASN A 360 75.754 16.147 -6.589 1.00 0.00 H new ATOM 0 HD21 ASN A 360 73.866 19.799 -5.926 1.00 0.00 H new ATOM 0 HD22 ASN A 360 73.430 18.847 -7.349 1.00 0.00 H new ATOM 556 N LEU A 361 78.041 16.625 -8.515 1.00 0.00 N ATOM 557 CA LEU A 361 79.478 16.826 -8.375 1.00 0.00 C ATOM 558 C LEU A 361 80.000 17.706 -9.504 1.00 0.00 C ATOM 559 O LEU A 361 80.709 18.682 -9.266 1.00 0.00 O ATOM 560 CB LEU A 361 80.203 15.472 -8.386 1.00 0.00 C ATOM 561 CG LEU A 361 81.724 15.671 -8.282 1.00 0.00 C ATOM 562 CD1 LEU A 361 82.071 16.476 -7.017 1.00 0.00 C ATOM 563 CD2 LEU A 361 82.409 14.297 -8.232 1.00 0.00 C ATOM 0 H LEU A 361 77.769 15.693 -8.829 1.00 0.00 H new ATOM 0 HA LEU A 361 79.671 17.324 -7.425 1.00 0.00 H new ATOM 0 HB2 LEU A 361 79.853 14.860 -7.555 1.00 0.00 H new ATOM 0 HB3 LEU A 361 79.963 14.933 -9.302 1.00 0.00 H new ATOM 0 HG LEU A 361 82.076 16.225 -9.152 1.00 0.00 H new ATOM 0 HD11 LEU A 361 83.151 16.610 -6.956 1.00 0.00 H new ATOM 0 HD12 LEU A 361 81.587 17.451 -7.062 1.00 0.00 H new ATOM 0 HD13 LEU A 361 81.721 15.938 -6.136 1.00 0.00 H new ATOM 0 HD21 LEU A 361 83.488 14.431 -8.158 1.00 0.00 H new ATOM 0 HD22 LEU A 361 82.052 13.744 -7.363 1.00 0.00 H new ATOM 0 HD23 LEU A 361 82.174 13.740 -9.139 1.00 0.00 H new ATOM 575 N ASN A 362 79.640 17.355 -10.738 1.00 0.00 N ATOM 576 CA ASN A 362 80.074 18.125 -11.900 1.00 0.00 C ATOM 577 C ASN A 362 79.990 19.621 -11.611 1.00 0.00 C ATOM 578 O ASN A 362 80.865 20.392 -12.004 1.00 0.00 O ATOM 579 CB ASN A 362 79.200 17.785 -13.108 1.00 0.00 C ATOM 580 CG ASN A 362 79.730 18.490 -14.351 1.00 0.00 C ATOM 581 OD1 ASN A 362 80.928 18.440 -14.631 1.00 0.00 O ATOM 582 ND2 ASN A 362 78.905 19.148 -15.119 1.00 0.00 N ATOM 0 H ASN A 362 79.054 16.549 -10.957 1.00 0.00 H new ATOM 0 HA ASN A 362 81.110 17.866 -12.119 1.00 0.00 H new ATOM 0 HB2 ASN A 362 79.190 16.707 -13.268 1.00 0.00 H new ATOM 0 HB3 ASN A 362 78.170 18.089 -12.919 1.00 0.00 H new ATOM 0 HD21 ASN A 362 79.252 19.622 -15.953 1.00 0.00 H new ATOM 0 HD22 ASN A 362 77.913 19.188 -14.885 1.00 0.00 H new ATOM 589 N GLY A 363 78.929 20.019 -10.916 1.00 0.00 N ATOM 590 CA GLY A 363 78.736 21.422 -10.572 1.00 0.00 C ATOM 591 C GLY A 363 79.897 21.936 -9.728 1.00 0.00 C ATOM 592 O GLY A 363 80.579 22.887 -10.107 1.00 0.00 O ATOM 0 H GLY A 363 78.195 19.394 -10.582 1.00 0.00 H new ATOM 0 HA2 GLY A 363 78.651 22.016 -11.482 1.00 0.00 H new ATOM 0 HA3 GLY A 363 77.801 21.542 -10.024 1.00 0.00 H new ATOM 596 N TRP A 364 80.118 21.302 -8.578 1.00 0.00 N ATOM 597 CA TRP A 364 81.202 21.712 -7.691 1.00 0.00 C ATOM 598 C TRP A 364 82.538 21.672 -8.422 1.00 0.00 C ATOM 599 O TRP A 364 83.211 22.692 -8.564 1.00 0.00 O ATOM 600 CB TRP A 364 81.266 20.790 -6.471 1.00 0.00 C ATOM 601 CG TRP A 364 82.338 21.278 -5.550 1.00 0.00 C ATOM 602 CD1 TRP A 364 82.293 22.445 -4.867 1.00 0.00 C ATOM 603 CD2 TRP A 364 83.609 20.647 -5.206 1.00 0.00 C ATOM 604 NE1 TRP A 364 83.457 22.574 -4.127 1.00 0.00 N ATOM 605 CE2 TRP A 364 84.297 21.492 -4.302 1.00 0.00 C ATOM 606 CE3 TRP A 364 84.227 19.438 -5.584 1.00 0.00 C ATOM 607 CZ2 TRP A 364 85.551 21.154 -3.794 1.00 0.00 C ATOM 608 CZ3 TRP A 364 85.490 19.097 -5.073 1.00 0.00 C ATOM 609 CH2 TRP A 364 86.151 19.953 -4.181 1.00 0.00 C ATOM 0 H TRP A 364 79.568 20.512 -8.242 1.00 0.00 H new ATOM 0 HA TRP A 364 81.004 22.733 -7.365 1.00 0.00 H new ATOM 0 HB2 TRP A 364 80.305 20.778 -5.957 1.00 0.00 H new ATOM 0 HB3 TRP A 364 81.474 19.766 -6.783 1.00 0.00 H new ATOM 0 HD1 TRP A 364 81.483 23.159 -4.894 1.00 0.00 H new ATOM 0 HE1 TRP A 364 83.668 23.371 -3.526 1.00 0.00 H new ATOM 0 HE3 TRP A 364 83.727 18.770 -6.270 1.00 0.00 H new ATOM 0 HZ2 TRP A 364 86.055 21.816 -3.106 1.00 0.00 H new ATOM 0 HZ3 TRP A 364 85.955 18.169 -5.369 1.00 0.00 H new ATOM 0 HH2 TRP A 364 87.123 19.684 -3.793 1.00 0.00 H new ATOM 620 N ALA A 365 82.921 20.484 -8.879 1.00 0.00 N ATOM 621 CA ALA A 365 84.185 20.318 -9.588 1.00 0.00 C ATOM 622 C ALA A 365 84.402 21.453 -10.585 1.00 0.00 C ATOM 623 O ALA A 365 85.524 21.926 -10.766 1.00 0.00 O ATOM 624 CB ALA A 365 84.196 18.977 -10.325 1.00 0.00 C ATOM 0 H ALA A 365 82.378 19.627 -8.772 1.00 0.00 H new ATOM 0 HA ALA A 365 84.993 20.339 -8.857 1.00 0.00 H new ATOM 0 HB1 ALA A 365 85.143 18.859 -10.852 1.00 0.00 H new ATOM 0 HB2 ALA A 365 84.078 18.166 -9.606 1.00 0.00 H new ATOM 0 HB3 ALA A 365 83.375 18.949 -11.042 1.00 0.00 H new ATOM 630 N LYS A 366 83.322 21.883 -11.230 1.00 0.00 N ATOM 631 CA LYS A 366 83.408 22.962 -12.209 1.00 0.00 C ATOM 632 C LYS A 366 83.644 24.303 -11.517 1.00 0.00 C ATOM 633 O LYS A 366 84.423 25.128 -11.995 1.00 0.00 O ATOM 634 CB LYS A 366 82.113 23.026 -13.029 1.00 0.00 C ATOM 635 CG LYS A 366 82.060 21.855 -14.033 1.00 0.00 C ATOM 636 CD LYS A 366 82.762 22.244 -15.341 1.00 0.00 C ATOM 637 CE LYS A 366 82.730 21.059 -16.310 1.00 0.00 C ATOM 638 NZ LYS A 366 83.732 20.043 -15.884 1.00 0.00 N ATOM 0 H LYS A 366 82.384 21.505 -11.095 1.00 0.00 H new ATOM 0 HA LYS A 366 84.249 22.759 -12.872 1.00 0.00 H new ATOM 0 HB2 LYS A 366 81.250 22.984 -12.364 1.00 0.00 H new ATOM 0 HB3 LYS A 366 82.058 23.975 -13.563 1.00 0.00 H new ATOM 0 HG2 LYS A 366 82.539 20.976 -13.602 1.00 0.00 H new ATOM 0 HG3 LYS A 366 81.023 21.586 -14.235 1.00 0.00 H new ATOM 0 HD2 LYS A 366 82.268 23.107 -15.788 1.00 0.00 H new ATOM 0 HD3 LYS A 366 83.793 22.535 -15.140 1.00 0.00 H new ATOM 0 HE2 LYS A 366 81.734 20.617 -16.329 1.00 0.00 H new ATOM 0 HE3 LYS A 366 82.948 21.398 -17.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 366 83.858 19.341 -16.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 366 84.641 20.511 -15.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 366 83.398 19.567 -15.022 1.00 0.00 H new ATOM 652 N LYS A 367 82.969 24.516 -10.392 1.00 0.00 N ATOM 653 CA LYS A 367 83.118 25.764 -9.650 1.00 0.00 C ATOM 654 C LYS A 367 84.582 26.001 -9.291 1.00 0.00 C ATOM 655 O LYS A 367 85.205 26.945 -9.776 1.00 0.00 O ATOM 656 CB LYS A 367 82.278 25.718 -8.367 1.00 0.00 C ATOM 657 CG LYS A 367 80.776 25.743 -8.712 1.00 0.00 C ATOM 658 CD LYS A 367 80.292 27.189 -8.888 1.00 0.00 C ATOM 659 CE LYS A 367 78.774 27.195 -9.073 1.00 0.00 C ATOM 660 NZ LYS A 367 78.320 28.575 -9.408 1.00 0.00 N ATOM 0 H LYS A 367 82.319 23.848 -9.977 1.00 0.00 H new ATOM 0 HA LYS A 367 82.771 26.582 -10.281 1.00 0.00 H new ATOM 0 HB2 LYS A 367 82.514 24.816 -7.802 1.00 0.00 H new ATOM 0 HB3 LYS A 367 82.526 26.567 -7.731 1.00 0.00 H new ATOM 0 HG2 LYS A 367 80.597 25.179 -9.627 1.00 0.00 H new ATOM 0 HG3 LYS A 367 80.206 25.256 -7.921 1.00 0.00 H new ATOM 0 HD2 LYS A 367 80.566 27.785 -8.017 1.00 0.00 H new ATOM 0 HD3 LYS A 367 80.777 27.644 -9.751 1.00 0.00 H new ATOM 0 HE2 LYS A 367 78.491 26.505 -9.868 1.00 0.00 H new ATOM 0 HE3 LYS A 367 78.284 26.851 -8.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 367 77.288 28.580 -9.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 367 78.578 29.222 -8.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 367 78.778 28.887 -10.288 1.00 0.00 H new ATOM 674 N GLU A 368 85.123 25.138 -8.437 1.00 0.00 N ATOM 675 CA GLU A 368 86.514 25.265 -8.019 1.00 0.00 C ATOM 676 C GLU A 368 87.438 25.288 -9.232 1.00 0.00 C ATOM 677 O GLU A 368 88.642 25.517 -9.103 1.00 0.00 O ATOM 678 CB GLU A 368 86.895 24.095 -7.109 1.00 0.00 C ATOM 679 CG GLU A 368 86.189 24.246 -5.761 1.00 0.00 C ATOM 680 CD GLU A 368 84.681 24.122 -5.946 1.00 0.00 C ATOM 681 OE1 GLU A 368 84.252 23.112 -6.477 1.00 0.00 O ATOM 682 OE2 GLU A 368 83.978 25.039 -5.554 1.00 0.00 O ATOM 0 H GLU A 368 84.624 24.350 -8.024 1.00 0.00 H new ATOM 0 HA GLU A 368 86.625 26.202 -7.473 1.00 0.00 H new ATOM 0 HB2 GLU A 368 86.613 23.151 -7.575 1.00 0.00 H new ATOM 0 HB3 GLU A 368 87.975 24.069 -6.965 1.00 0.00 H new ATOM 0 HG2 GLU A 368 86.543 23.482 -5.068 1.00 0.00 H new ATOM 0 HG3 GLU A 368 86.431 25.213 -5.320 1.00 0.00 H new ATOM 689 N ASN A 369 86.869 25.051 -10.408 1.00 0.00 N ATOM 690 CA ASN A 369 87.654 25.048 -11.637 1.00 0.00 C ATOM 691 C ASN A 369 88.895 24.175 -11.477 1.00 0.00 C ATOM 692 O ASN A 369 90.014 24.612 -11.749 1.00 0.00 O ATOM 693 CB ASN A 369 88.074 26.476 -11.991 1.00 0.00 C ATOM 694 CG ASN A 369 86.870 27.408 -11.912 1.00 0.00 C ATOM 695 OD1 ASN A 369 85.817 27.112 -12.478 1.00 0.00 O ATOM 696 ND2 ASN A 369 86.961 28.523 -11.240 1.00 0.00 N ATOM 0 H ASN A 369 85.875 24.860 -10.537 1.00 0.00 H new ATOM 0 HA ASN A 369 87.038 24.641 -12.439 1.00 0.00 H new ATOM 0 HB2 ASN A 369 88.852 26.815 -11.307 1.00 0.00 H new ATOM 0 HB3 ASN A 369 88.498 26.501 -12.995 1.00 0.00 H new ATOM 0 HD21 ASN A 369 86.159 29.151 -11.183 1.00 0.00 H new ATOM 0 HD22 ASN A 369 87.834 28.767 -10.772 1.00 0.00 H new ATOM 703 N LEU A 370 88.688 22.938 -11.037 1.00 0.00 N ATOM 704 CA LEU A 370 89.797 22.009 -10.846 1.00 0.00 C ATOM 705 C LEU A 370 90.588 21.852 -12.142 1.00 0.00 C ATOM 706 O LEU A 370 90.034 21.481 -13.176 1.00 0.00 O ATOM 707 CB LEU A 370 89.268 20.641 -10.404 1.00 0.00 C ATOM 708 CG LEU A 370 88.321 20.800 -9.206 1.00 0.00 C ATOM 709 CD1 LEU A 370 87.655 19.454 -8.908 1.00 0.00 C ATOM 710 CD2 LEU A 370 89.110 21.269 -7.973 1.00 0.00 C ATOM 0 H LEU A 370 87.770 22.557 -10.807 1.00 0.00 H new ATOM 0 HA LEU A 370 90.453 22.410 -10.074 1.00 0.00 H new ATOM 0 HB2 LEU A 370 88.743 20.162 -11.230 1.00 0.00 H new ATOM 0 HB3 LEU A 370 90.100 19.991 -10.135 1.00 0.00 H new ATOM 0 HG LEU A 370 87.559 21.543 -9.443 1.00 0.00 H new ATOM 0 HD11 LEU A 370 86.981 19.562 -8.058 1.00 0.00 H new ATOM 0 HD12 LEU A 370 87.089 19.127 -9.780 1.00 0.00 H new ATOM 0 HD13 LEU A 370 88.420 18.714 -8.673 1.00 0.00 H new ATOM 0 HD21 LEU A 370 88.431 21.380 -7.127 1.00 0.00 H new ATOM 0 HD22 LEU A 370 89.876 20.533 -7.730 1.00 0.00 H new ATOM 0 HD23 LEU A 370 89.583 22.228 -8.187 1.00 0.00 H new ATOM 722 N LYS A 371 91.888 22.139 -12.079 1.00 0.00 N ATOM 723 CA LYS A 371 92.751 22.027 -13.255 1.00 0.00 C ATOM 724 C LYS A 371 93.350 20.626 -13.346 1.00 0.00 C ATOM 725 O LYS A 371 93.628 19.992 -12.327 1.00 0.00 O ATOM 726 CB LYS A 371 93.881 23.067 -13.180 1.00 0.00 C ATOM 727 CG LYS A 371 94.464 23.127 -11.749 1.00 0.00 C ATOM 728 CD LYS A 371 93.749 24.213 -10.927 1.00 0.00 C ATOM 729 CE LYS A 371 93.978 23.966 -9.434 1.00 0.00 C ATOM 730 NZ LYS A 371 95.388 23.542 -9.210 1.00 0.00 N ATOM 0 H LYS A 371 92.364 22.449 -11.232 1.00 0.00 H new ATOM 0 HA LYS A 371 92.148 22.212 -14.144 1.00 0.00 H new ATOM 0 HB2 LYS A 371 94.668 22.811 -13.890 1.00 0.00 H new ATOM 0 HB3 LYS A 371 93.501 24.048 -13.466 1.00 0.00 H new ATOM 0 HG2 LYS A 371 94.350 22.159 -11.262 1.00 0.00 H new ATOM 0 HG3 LYS A 371 95.532 23.339 -11.793 1.00 0.00 H new ATOM 0 HD2 LYS A 371 94.124 25.198 -11.204 1.00 0.00 H new ATOM 0 HD3 LYS A 371 92.681 24.205 -11.147 1.00 0.00 H new ATOM 0 HE2 LYS A 371 93.766 24.873 -8.868 1.00 0.00 H new ATOM 0 HE3 LYS A 371 93.294 23.198 -9.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 371 95.644 23.699 -8.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 371 95.487 22.532 -9.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 371 96.019 24.098 -9.821 1.00 0.00 H new ATOM 744 N ASN A 372 93.550 20.151 -14.571 1.00 0.00 N ATOM 745 CA ASN A 372 94.121 18.826 -14.788 1.00 0.00 C ATOM 746 C ASN A 372 93.471 17.800 -13.864 1.00 0.00 C ATOM 747 O ASN A 372 93.854 17.667 -12.702 1.00 0.00 O ATOM 748 CB ASN A 372 95.629 18.859 -14.534 1.00 0.00 C ATOM 749 CG ASN A 372 96.214 17.458 -14.679 1.00 0.00 C ATOM 750 OD1 ASN A 372 96.761 17.119 -15.728 1.00 0.00 O ATOM 751 ND2 ASN A 372 96.130 16.620 -13.682 1.00 0.00 N ATOM 0 H ASN A 372 93.326 20.661 -15.426 1.00 0.00 H new ATOM 0 HA ASN A 372 93.932 18.537 -15.822 1.00 0.00 H new ATOM 0 HB2 ASN A 372 96.110 19.537 -15.239 1.00 0.00 H new ATOM 0 HB3 ASN A 372 95.829 19.244 -13.534 1.00 0.00 H new ATOM 0 HD21 ASN A 372 96.518 15.681 -13.771 1.00 0.00 H new ATOM 0 HD22 ASN A 372 95.676 16.904 -12.814 1.00 0.00 H new ATOM 758 N TYR A 373 92.487 17.076 -14.389 1.00 0.00 N ATOM 759 CA TYR A 373 91.793 16.066 -13.600 1.00 0.00 C ATOM 760 C TYR A 373 90.895 15.212 -14.490 1.00 0.00 C ATOM 761 O TYR A 373 90.665 15.541 -15.653 1.00 0.00 O ATOM 762 CB TYR A 373 90.951 16.739 -12.512 1.00 0.00 C ATOM 763 CG TYR A 373 89.816 17.506 -13.153 1.00 0.00 C ATOM 764 CD1 TYR A 373 90.084 18.669 -13.886 1.00 0.00 C ATOM 765 CD2 TYR A 373 88.497 17.055 -13.016 1.00 0.00 C ATOM 766 CE1 TYR A 373 89.034 19.380 -14.480 1.00 0.00 C ATOM 767 CE2 TYR A 373 87.448 17.765 -13.611 1.00 0.00 C ATOM 768 CZ TYR A 373 87.717 18.927 -14.342 1.00 0.00 C ATOM 769 OH TYR A 373 86.682 19.628 -14.928 1.00 0.00 O ATOM 0 H TYR A 373 92.155 17.169 -15.349 1.00 0.00 H new ATOM 0 HA TYR A 373 92.538 15.422 -13.134 1.00 0.00 H new ATOM 0 HB2 TYR A 373 90.556 15.989 -11.827 1.00 0.00 H new ATOM 0 HB3 TYR A 373 91.572 17.413 -11.922 1.00 0.00 H new ATOM 0 HD1 TYR A 373 91.101 19.017 -13.993 1.00 0.00 H new ATOM 0 HD2 TYR A 373 88.289 16.159 -12.451 1.00 0.00 H new ATOM 0 HE1 TYR A 373 89.240 20.277 -15.044 1.00 0.00 H new ATOM 0 HE2 TYR A 373 86.431 17.416 -13.506 1.00 0.00 H new ATOM 0 HH TYR A 373 85.960 19.009 -15.165 1.00 0.00 H new ATOM 779 N VAL A 374 90.390 14.111 -13.935 1.00 0.00 N ATOM 780 CA VAL A 374 89.515 13.206 -14.683 1.00 0.00 C ATOM 781 C VAL A 374 88.397 12.679 -13.788 1.00 0.00 C ATOM 782 O VAL A 374 88.640 12.257 -12.658 1.00 0.00 O ATOM 783 CB VAL A 374 90.328 12.031 -15.227 1.00 0.00 C ATOM 784 CG1 VAL A 374 89.436 11.160 -16.114 1.00 0.00 C ATOM 785 CG2 VAL A 374 91.502 12.563 -16.051 1.00 0.00 C ATOM 0 H VAL A 374 90.570 13.824 -12.973 1.00 0.00 H new ATOM 0 HA VAL A 374 89.072 13.760 -15.511 1.00 0.00 H new ATOM 0 HB VAL A 374 90.706 11.435 -14.396 1.00 0.00 H new ATOM 0 HG11 VAL A 374 90.016 10.322 -16.502 1.00 0.00 H new ATOM 0 HG12 VAL A 374 88.599 10.781 -15.528 1.00 0.00 H new ATOM 0 HG13 VAL A 374 89.057 11.755 -16.945 1.00 0.00 H new ATOM 0 HG21 VAL A 374 92.083 11.726 -16.439 1.00 0.00 H new ATOM 0 HG22 VAL A 374 91.123 13.159 -16.882 1.00 0.00 H new ATOM 0 HG23 VAL A 374 92.138 13.184 -15.420 1.00 0.00 H new ATOM 795 N VAL A 375 87.170 12.706 -14.305 1.00 0.00 N ATOM 796 CA VAL A 375 86.012 12.227 -13.548 1.00 0.00 C ATOM 797 C VAL A 375 85.812 10.728 -13.776 1.00 0.00 C ATOM 798 O VAL A 375 85.647 10.277 -14.909 1.00 0.00 O ATOM 799 CB VAL A 375 84.751 12.994 -13.982 1.00 0.00 C ATOM 800 CG1 VAL A 375 84.719 14.366 -13.299 1.00 0.00 C ATOM 801 CG2 VAL A 375 84.764 13.188 -15.501 1.00 0.00 C ATOM 0 H VAL A 375 86.951 13.052 -15.239 1.00 0.00 H new ATOM 0 HA VAL A 375 86.191 12.400 -12.487 1.00 0.00 H new ATOM 0 HB VAL A 375 83.869 12.422 -13.693 1.00 0.00 H new ATOM 0 HG11 VAL A 375 83.824 14.906 -13.609 1.00 0.00 H new ATOM 0 HG12 VAL A 375 84.706 14.234 -12.217 1.00 0.00 H new ATOM 0 HG13 VAL A 375 85.604 14.935 -13.584 1.00 0.00 H new ATOM 0 HG21 VAL A 375 83.870 13.732 -15.806 1.00 0.00 H new ATOM 0 HG22 VAL A 375 85.649 13.756 -15.788 1.00 0.00 H new ATOM 0 HG23 VAL A 375 84.782 12.215 -15.992 1.00 0.00 H new ATOM 811 N TYR A 376 85.835 9.958 -12.688 1.00 0.00 N ATOM 812 CA TYR A 376 85.660 8.509 -12.779 1.00 0.00 C ATOM 813 C TYR A 376 85.004 7.966 -11.511 1.00 0.00 C ATOM 814 O TYR A 376 84.886 8.672 -10.510 1.00 0.00 O ATOM 815 CB TYR A 376 87.016 7.830 -12.996 1.00 0.00 C ATOM 816 CG TYR A 376 87.859 7.952 -11.744 1.00 0.00 C ATOM 817 CD1 TYR A 376 88.335 9.205 -11.338 1.00 0.00 C ATOM 818 CD2 TYR A 376 88.163 6.812 -10.988 1.00 0.00 C ATOM 819 CE1 TYR A 376 89.113 9.318 -10.179 1.00 0.00 C ATOM 820 CE2 TYR A 376 88.942 6.925 -9.830 1.00 0.00 C ATOM 821 CZ TYR A 376 89.416 8.179 -9.426 1.00 0.00 C ATOM 822 OH TYR A 376 90.183 8.290 -8.283 1.00 0.00 O ATOM 0 H TYR A 376 85.972 10.310 -11.741 1.00 0.00 H new ATOM 0 HA TYR A 376 85.010 8.292 -13.627 1.00 0.00 H new ATOM 0 HB2 TYR A 376 86.871 6.779 -13.246 1.00 0.00 H new ATOM 0 HB3 TYR A 376 87.532 8.290 -13.839 1.00 0.00 H new ATOM 0 HD1 TYR A 376 88.102 10.085 -11.919 1.00 0.00 H new ATOM 0 HD2 TYR A 376 87.796 5.845 -11.299 1.00 0.00 H new ATOM 0 HE1 TYR A 376 89.479 10.285 -9.867 1.00 0.00 H new ATOM 0 HE2 TYR A 376 89.177 6.046 -9.249 1.00 0.00 H new ATOM 0 HH TYR A 376 90.102 7.469 -7.754 1.00 0.00 H new ATOM 832 N GLU A 377 84.572 6.707 -11.567 1.00 0.00 N ATOM 833 CA GLU A 377 83.921 6.072 -10.427 1.00 0.00 C ATOM 834 C GLU A 377 84.955 5.452 -9.500 1.00 0.00 C ATOM 835 O GLU A 377 86.049 5.087 -9.926 1.00 0.00 O ATOM 836 CB GLU A 377 82.954 4.989 -10.919 1.00 0.00 C ATOM 837 CG GLU A 377 83.723 3.913 -11.699 1.00 0.00 C ATOM 838 CD GLU A 377 84.382 2.930 -10.737 1.00 0.00 C ATOM 839 OE1 GLU A 377 83.705 2.474 -9.829 1.00 0.00 O ATOM 840 OE2 GLU A 377 85.555 2.647 -10.920 1.00 0.00 O ATOM 0 H GLU A 377 84.662 6.109 -12.389 1.00 0.00 H new ATOM 0 HA GLU A 377 83.367 6.831 -9.875 1.00 0.00 H new ATOM 0 HB2 GLU A 377 82.439 4.537 -10.071 1.00 0.00 H new ATOM 0 HB3 GLU A 377 82.189 5.434 -11.555 1.00 0.00 H new ATOM 0 HG2 GLU A 377 83.043 3.381 -12.364 1.00 0.00 H new ATOM 0 HG3 GLU A 377 84.481 4.381 -12.327 1.00 0.00 H new ATOM 847 N THR A 378 84.600 5.339 -8.227 1.00 0.00 N ATOM 848 CA THR A 378 85.502 4.766 -7.237 1.00 0.00 C ATOM 849 C THR A 378 84.698 4.197 -6.071 1.00 0.00 C ATOM 850 O THR A 378 83.468 4.259 -6.075 1.00 0.00 O ATOM 851 CB THR A 378 86.473 5.851 -6.752 1.00 0.00 C ATOM 852 OG1 THR A 378 87.139 6.413 -7.874 1.00 0.00 O ATOM 853 CG2 THR A 378 87.511 5.258 -5.797 1.00 0.00 C ATOM 0 H THR A 378 83.697 5.635 -7.857 1.00 0.00 H new ATOM 0 HA THR A 378 86.075 3.954 -7.684 1.00 0.00 H new ATOM 0 HB THR A 378 85.908 6.619 -6.223 1.00 0.00 H new ATOM 0 HG1 THR A 378 88.105 6.275 -7.784 1.00 0.00 H new ATOM 0 HG21 THR A 378 88.190 6.043 -5.464 1.00 0.00 H new ATOM 0 HG22 THR A 378 87.006 4.825 -4.933 1.00 0.00 H new ATOM 0 HG23 THR A 378 88.078 4.482 -6.312 1.00 0.00 H new ATOM 861 N THR A 379 85.387 3.641 -5.073 1.00 0.00 N ATOM 862 CA THR A 379 84.719 3.062 -3.905 1.00 0.00 C ATOM 863 C THR A 379 85.016 3.887 -2.656 1.00 0.00 C ATOM 864 O THR A 379 86.017 4.600 -2.595 1.00 0.00 O ATOM 865 CB THR A 379 85.206 1.627 -3.692 1.00 0.00 C ATOM 866 OG1 THR A 379 86.575 1.645 -3.313 1.00 0.00 O ATOM 867 CG2 THR A 379 85.044 0.835 -4.990 1.00 0.00 C ATOM 0 H THR A 379 86.405 3.579 -5.049 1.00 0.00 H new ATOM 0 HA THR A 379 83.644 3.064 -4.083 1.00 0.00 H new ATOM 0 HB THR A 379 84.617 1.155 -2.905 1.00 0.00 H new ATOM 0 HG1 THR A 379 86.888 0.727 -3.174 1.00 0.00 H new ATOM 0 HG21 THR A 379 85.391 -0.187 -4.838 1.00 0.00 H new ATOM 0 HG22 THR A 379 83.993 0.822 -5.280 1.00 0.00 H new ATOM 0 HG23 THR A 379 85.632 1.304 -5.779 1.00 0.00 H new ATOM 875 N ARG A 380 84.140 3.778 -1.664 1.00 0.00 N ATOM 876 CA ARG A 380 84.316 4.514 -0.417 1.00 0.00 C ATOM 877 C ARG A 380 83.317 4.030 0.630 1.00 0.00 C ATOM 878 O ARG A 380 82.192 4.524 0.702 1.00 0.00 O ATOM 879 CB ARG A 380 84.121 6.011 -0.656 1.00 0.00 C ATOM 880 CG ARG A 380 84.605 6.788 0.571 1.00 0.00 C ATOM 881 CD ARG A 380 84.203 8.258 0.437 1.00 0.00 C ATOM 882 NE ARG A 380 82.760 8.403 0.590 1.00 0.00 N ATOM 883 CZ ARG A 380 82.192 8.409 1.791 1.00 0.00 C ATOM 884 NH1 ARG A 380 82.927 8.276 2.861 1.00 0.00 N ATOM 885 NH2 ARG A 380 80.899 8.549 1.901 1.00 0.00 N ATOM 0 H ARG A 380 83.306 3.191 -1.697 1.00 0.00 H new ATOM 0 HA ARG A 380 85.328 4.337 -0.053 1.00 0.00 H new ATOM 0 HB2 ARG A 380 84.675 6.325 -1.541 1.00 0.00 H new ATOM 0 HB3 ARG A 380 83.069 6.227 -0.845 1.00 0.00 H new ATOM 0 HG2 ARG A 380 84.173 6.363 1.477 1.00 0.00 H new ATOM 0 HG3 ARG A 380 85.688 6.703 0.664 1.00 0.00 H new ATOM 0 HD2 ARG A 380 84.717 8.853 1.192 1.00 0.00 H new ATOM 0 HD3 ARG A 380 84.513 8.640 -0.536 1.00 0.00 H new ATOM 0 HE ARG A 380 82.176 8.502 -0.240 1.00 0.00 H new ATOM 0 HH11 ARG A 380 83.938 8.167 2.775 1.00 0.00 H new ATOM 0 HH12 ARG A 380 82.491 8.281 3.783 1.00 0.00 H new ATOM 0 HH21 ARG A 380 80.324 8.654 1.065 1.00 0.00 H new ATOM 0 HH22 ARG A 380 80.463 8.554 2.823 1.00 0.00 H new ATOM 899 N ASN A 381 83.735 3.060 1.436 1.00 0.00 N ATOM 900 CA ASN A 381 82.869 2.512 2.473 1.00 0.00 C ATOM 901 C ASN A 381 81.618 1.896 1.852 1.00 0.00 C ATOM 902 O ASN A 381 80.522 2.445 1.968 1.00 0.00 O ATOM 903 CB ASN A 381 82.464 3.615 3.454 1.00 0.00 C ATOM 904 CG ASN A 381 81.885 2.997 4.723 1.00 0.00 C ATOM 905 OD1 ASN A 381 80.708 2.642 4.760 1.00 0.00 O ATOM 906 ND2 ASN A 381 82.649 2.848 5.771 1.00 0.00 N ATOM 0 H ASN A 381 84.663 2.639 1.392 1.00 0.00 H new ATOM 0 HA ASN A 381 83.418 1.736 3.007 1.00 0.00 H new ATOM 0 HB2 ASN A 381 83.330 4.229 3.701 1.00 0.00 H new ATOM 0 HB3 ASN A 381 81.728 4.273 2.991 1.00 0.00 H new ATOM 0 HD21 ASN A 381 82.270 2.436 6.624 1.00 0.00 H new ATOM 0 HD22 ASN A 381 83.625 3.143 5.737 1.00 0.00 H new ATOM 913 N GLY A 382 81.796 0.747 1.201 1.00 0.00 N ATOM 914 CA GLY A 382 80.681 0.044 0.563 1.00 0.00 C ATOM 915 C GLY A 382 79.675 1.019 -0.043 1.00 0.00 C ATOM 916 O GLY A 382 78.480 0.729 -0.116 1.00 0.00 O ATOM 0 H GLY A 382 82.699 0.283 1.101 1.00 0.00 H new ATOM 0 HA2 GLY A 382 81.064 -0.616 -0.216 1.00 0.00 H new ATOM 0 HA3 GLY A 382 80.180 -0.587 1.297 1.00 0.00 H new ATOM 920 N GLN A 383 80.168 2.181 -0.471 1.00 0.00 N ATOM 921 CA GLN A 383 79.311 3.209 -1.066 1.00 0.00 C ATOM 922 C GLN A 383 80.043 3.898 -2.228 1.00 0.00 C ATOM 923 O GLN A 383 80.818 4.826 -2.001 1.00 0.00 O ATOM 924 CB GLN A 383 78.952 4.254 -0.005 1.00 0.00 C ATOM 925 CG GLN A 383 77.912 3.676 0.958 1.00 0.00 C ATOM 926 CD GLN A 383 77.675 4.641 2.114 1.00 0.00 C ATOM 927 OE1 GLN A 383 76.959 5.630 1.960 1.00 0.00 O ATOM 928 NE2 GLN A 383 78.237 4.411 3.269 1.00 0.00 N ATOM 0 H GLN A 383 81.154 2.435 -0.417 1.00 0.00 H new ATOM 0 HA GLN A 383 78.403 2.738 -1.442 1.00 0.00 H new ATOM 0 HB2 GLN A 383 79.846 4.550 0.545 1.00 0.00 H new ATOM 0 HB3 GLN A 383 78.560 5.152 -0.483 1.00 0.00 H new ATOM 0 HG2 GLN A 383 76.977 3.494 0.429 1.00 0.00 H new ATOM 0 HG3 GLN A 383 78.254 2.715 1.341 1.00 0.00 H new ATOM 0 HE21 GLN A 383 78.830 3.590 3.393 1.00 0.00 H new ATOM 0 HE22 GLN A 383 78.083 5.052 4.048 1.00 0.00 H new ATOM 937 N PRO A 384 79.829 3.471 -3.456 1.00 0.00 N ATOM 938 CA PRO A 384 80.508 4.080 -4.640 1.00 0.00 C ATOM 939 C PRO A 384 80.538 5.607 -4.577 1.00 0.00 C ATOM 940 O PRO A 384 79.542 6.245 -4.235 1.00 0.00 O ATOM 941 CB PRO A 384 79.670 3.582 -5.819 1.00 0.00 C ATOM 942 CG PRO A 384 79.166 2.248 -5.374 1.00 0.00 C ATOM 943 CD PRO A 384 78.928 2.372 -3.865 1.00 0.00 C ATOM 0 HA PRO A 384 81.558 3.796 -4.707 1.00 0.00 H new ATOM 0 HB2 PRO A 384 78.849 4.264 -6.040 1.00 0.00 H new ATOM 0 HB3 PRO A 384 80.269 3.499 -6.726 1.00 0.00 H new ATOM 0 HG2 PRO A 384 78.245 1.985 -5.894 1.00 0.00 H new ATOM 0 HG3 PRO A 384 79.891 1.464 -5.592 1.00 0.00 H new ATOM 0 HD2 PRO A 384 77.887 2.604 -3.642 1.00 0.00 H new ATOM 0 HD3 PRO A 384 79.166 1.444 -3.345 1.00 0.00 H new ATOM 951 N TRP A 385 81.692 6.184 -4.911 1.00 0.00 N ATOM 952 CA TRP A 385 81.860 7.638 -4.893 1.00 0.00 C ATOM 953 C TRP A 385 82.786 8.075 -6.026 1.00 0.00 C ATOM 954 O TRP A 385 83.753 7.393 -6.349 1.00 0.00 O ATOM 955 CB TRP A 385 82.429 8.075 -3.521 1.00 0.00 C ATOM 956 CG TRP A 385 83.215 9.353 -3.641 1.00 0.00 C ATOM 957 CD1 TRP A 385 84.499 9.508 -3.246 1.00 0.00 C ATOM 958 CD2 TRP A 385 82.798 10.639 -4.190 1.00 0.00 C ATOM 959 NE1 TRP A 385 84.898 10.805 -3.518 1.00 0.00 N ATOM 960 CE2 TRP A 385 83.885 11.542 -4.098 1.00 0.00 C ATOM 961 CE3 TRP A 385 81.596 11.104 -4.751 1.00 0.00 C ATOM 962 CZ2 TRP A 385 83.782 12.861 -4.549 1.00 0.00 C ATOM 963 CZ3 TRP A 385 81.488 12.430 -5.205 1.00 0.00 C ATOM 964 CH2 TRP A 385 82.582 13.306 -5.104 1.00 0.00 C ATOM 0 H TRP A 385 82.524 5.668 -5.197 1.00 0.00 H new ATOM 0 HA TRP A 385 80.892 8.117 -5.042 1.00 0.00 H new ATOM 0 HB2 TRP A 385 81.612 8.212 -2.812 1.00 0.00 H new ATOM 0 HB3 TRP A 385 83.068 7.288 -3.122 1.00 0.00 H new ATOM 0 HD1 TRP A 385 85.113 8.744 -2.792 1.00 0.00 H new ATOM 0 HE1 TRP A 385 85.828 11.172 -3.315 1.00 0.00 H new ATOM 0 HE3 TRP A 385 80.750 10.438 -4.834 1.00 0.00 H new ATOM 0 HZ2 TRP A 385 84.625 13.531 -4.468 1.00 0.00 H new ATOM 0 HZ3 TRP A 385 80.559 12.777 -5.634 1.00 0.00 H new ATOM 0 HH2 TRP A 385 82.494 14.323 -5.456 1.00 0.00 H new ATOM 975 N TYR A 386 82.482 9.230 -6.614 1.00 0.00 N ATOM 976 CA TYR A 386 83.297 9.769 -7.699 1.00 0.00 C ATOM 977 C TYR A 386 84.382 10.674 -7.126 1.00 0.00 C ATOM 978 O TYR A 386 84.221 11.894 -7.073 1.00 0.00 O ATOM 979 CB TYR A 386 82.420 10.568 -8.665 1.00 0.00 C ATOM 980 CG TYR A 386 81.428 9.642 -9.329 1.00 0.00 C ATOM 981 CD1 TYR A 386 80.204 9.365 -8.708 1.00 0.00 C ATOM 982 CD2 TYR A 386 81.733 9.061 -10.566 1.00 0.00 C ATOM 983 CE1 TYR A 386 79.285 8.506 -9.323 1.00 0.00 C ATOM 984 CE2 TYR A 386 80.813 8.203 -11.182 1.00 0.00 C ATOM 985 CZ TYR A 386 79.589 7.926 -10.560 1.00 0.00 C ATOM 986 OH TYR A 386 78.683 7.080 -11.166 1.00 0.00 O ATOM 0 H TYR A 386 81.681 9.808 -6.359 1.00 0.00 H new ATOM 0 HA TYR A 386 83.761 8.943 -8.238 1.00 0.00 H new ATOM 0 HB2 TYR A 386 81.894 11.357 -8.127 1.00 0.00 H new ATOM 0 HB3 TYR A 386 83.040 11.054 -9.418 1.00 0.00 H new ATOM 0 HD1 TYR A 386 79.969 9.814 -7.754 1.00 0.00 H new ATOM 0 HD2 TYR A 386 82.677 9.274 -11.045 1.00 0.00 H new ATOM 0 HE1 TYR A 386 78.342 8.291 -8.843 1.00 0.00 H new ATOM 0 HE2 TYR A 386 81.047 7.755 -12.136 1.00 0.00 H new ATOM 0 HH TYR A 386 79.049 6.765 -12.019 1.00 0.00 H new ATOM 996 N VAL A 387 85.483 10.069 -6.690 1.00 0.00 N ATOM 997 CA VAL A 387 86.584 10.829 -6.112 1.00 0.00 C ATOM 998 C VAL A 387 87.455 11.409 -7.214 1.00 0.00 C ATOM 999 O VAL A 387 87.511 10.875 -8.322 1.00 0.00 O ATOM 1000 CB VAL A 387 87.425 9.929 -5.200 1.00 0.00 C ATOM 1001 CG1 VAL A 387 88.186 8.904 -6.042 1.00 0.00 C ATOM 1002 CG2 VAL A 387 88.423 10.786 -4.420 1.00 0.00 C ATOM 0 H VAL A 387 85.635 9.061 -6.726 1.00 0.00 H new ATOM 0 HA VAL A 387 86.172 11.646 -5.520 1.00 0.00 H new ATOM 0 HB VAL A 387 86.767 9.407 -4.505 1.00 0.00 H new ATOM 0 HG11 VAL A 387 88.782 8.267 -5.389 1.00 0.00 H new ATOM 0 HG12 VAL A 387 87.477 8.291 -6.598 1.00 0.00 H new ATOM 0 HG13 VAL A 387 88.843 9.423 -6.741 1.00 0.00 H new ATOM 0 HG21 VAL A 387 89.022 10.147 -3.771 1.00 0.00 H new ATOM 0 HG22 VAL A 387 89.077 11.309 -5.118 1.00 0.00 H new ATOM 0 HG23 VAL A 387 87.883 11.514 -3.815 1.00 0.00 H new ATOM 1012 N LEU A 388 88.126 12.515 -6.907 1.00 0.00 N ATOM 1013 CA LEU A 388 88.989 13.185 -7.878 1.00 0.00 C ATOM 1014 C LEU A 388 90.398 13.357 -7.322 1.00 0.00 C ATOM 1015 O LEU A 388 90.622 13.261 -6.116 1.00 0.00 O ATOM 1016 CB LEU A 388 88.399 14.554 -8.216 1.00 0.00 C ATOM 1017 CG LEU A 388 86.978 14.392 -8.770 1.00 0.00 C ATOM 1018 CD1 LEU A 388 86.350 15.777 -8.956 1.00 0.00 C ATOM 1019 CD2 LEU A 388 87.014 13.655 -10.122 1.00 0.00 C ATOM 0 H LEU A 388 88.090 12.967 -5.994 1.00 0.00 H new ATOM 0 HA LEU A 388 89.047 12.572 -8.778 1.00 0.00 H new ATOM 0 HB2 LEU A 388 88.381 15.181 -7.325 1.00 0.00 H new ATOM 0 HB3 LEU A 388 89.028 15.059 -8.949 1.00 0.00 H new ATOM 0 HG LEU A 388 86.384 13.807 -8.068 1.00 0.00 H new ATOM 0 HD11 LEU A 388 85.339 15.668 -9.350 1.00 0.00 H new ATOM 0 HD12 LEU A 388 86.312 16.291 -7.996 1.00 0.00 H new ATOM 0 HD13 LEU A 388 86.951 16.358 -9.655 1.00 0.00 H new ATOM 0 HD21 LEU A 388 85.999 13.546 -10.504 1.00 0.00 H new ATOM 0 HD22 LEU A 388 87.610 14.227 -10.833 1.00 0.00 H new ATOM 0 HD23 LEU A 388 87.458 12.669 -9.987 1.00 0.00 H new ATOM 1031 N VAL A 389 91.343 13.611 -8.222 1.00 0.00 N ATOM 1032 CA VAL A 389 92.739 13.796 -7.836 1.00 0.00 C ATOM 1033 C VAL A 389 93.462 14.653 -8.870 1.00 0.00 C ATOM 1034 O VAL A 389 93.188 14.561 -10.067 1.00 0.00 O ATOM 1035 CB VAL A 389 93.435 12.437 -7.725 1.00 0.00 C ATOM 1036 CG1 VAL A 389 92.862 11.652 -6.541 1.00 0.00 C ATOM 1037 CG2 VAL A 389 93.208 11.646 -9.016 1.00 0.00 C ATOM 0 H VAL A 389 91.168 13.694 -9.224 1.00 0.00 H new ATOM 0 HA VAL A 389 92.769 14.299 -6.869 1.00 0.00 H new ATOM 0 HB VAL A 389 94.503 12.592 -7.569 1.00 0.00 H new ATOM 0 HG11 VAL A 389 93.362 10.686 -6.469 1.00 0.00 H new ATOM 0 HG12 VAL A 389 93.022 12.213 -5.621 1.00 0.00 H new ATOM 0 HG13 VAL A 389 91.793 11.497 -6.690 1.00 0.00 H new ATOM 0 HG21 VAL A 389 93.702 10.677 -8.941 1.00 0.00 H new ATOM 0 HG22 VAL A 389 92.139 11.497 -9.168 1.00 0.00 H new ATOM 0 HG23 VAL A 389 93.621 12.200 -9.859 1.00 0.00 H new ATOM 1047 N SER A 390 94.389 15.487 -8.403 1.00 0.00 N ATOM 1048 CA SER A 390 95.149 16.359 -9.298 1.00 0.00 C ATOM 1049 C SER A 390 96.549 16.598 -8.748 1.00 0.00 C ATOM 1050 O SER A 390 96.766 16.571 -7.537 1.00 0.00 O ATOM 1051 CB SER A 390 94.429 17.697 -9.462 1.00 0.00 C ATOM 1052 OG SER A 390 93.041 17.462 -9.663 1.00 0.00 O ATOM 0 H SER A 390 94.631 15.578 -7.416 1.00 0.00 H new ATOM 0 HA SER A 390 95.229 15.870 -10.269 1.00 0.00 H new ATOM 0 HB2 SER A 390 94.581 18.315 -8.577 1.00 0.00 H new ATOM 0 HB3 SER A 390 94.843 18.245 -10.309 1.00 0.00 H new ATOM 0 HG SER A 390 92.576 18.318 -9.767 1.00 0.00 H new ATOM 1058 N GLY A 391 97.495 16.830 -9.650 1.00 0.00 N ATOM 1059 CA GLY A 391 98.875 17.072 -9.250 1.00 0.00 C ATOM 1060 C GLY A 391 99.590 15.762 -8.945 1.00 0.00 C ATOM 1061 O GLY A 391 98.986 14.813 -8.445 1.00 0.00 O ATOM 0 H GLY A 391 97.333 16.856 -10.657 1.00 0.00 H new ATOM 0 HA2 GLY A 391 99.401 17.601 -10.045 1.00 0.00 H new ATOM 0 HA3 GLY A 391 98.895 17.716 -8.370 1.00 0.00 H new ATOM 1065 N VAL A 392 100.885 15.718 -9.251 1.00 0.00 N ATOM 1066 CA VAL A 392 101.696 14.521 -9.011 1.00 0.00 C ATOM 1067 C VAL A 392 102.998 14.892 -8.307 1.00 0.00 C ATOM 1068 O VAL A 392 103.986 15.243 -8.951 1.00 0.00 O ATOM 1069 CB VAL A 392 102.014 13.835 -10.341 1.00 0.00 C ATOM 1070 CG1 VAL A 392 102.690 12.490 -10.075 1.00 0.00 C ATOM 1071 CG2 VAL A 392 100.715 13.608 -11.118 1.00 0.00 C ATOM 0 H VAL A 392 101.397 16.496 -9.666 1.00 0.00 H new ATOM 0 HA VAL A 392 101.131 13.840 -8.374 1.00 0.00 H new ATOM 0 HB VAL A 392 102.683 14.467 -10.925 1.00 0.00 H new ATOM 0 HG11 VAL A 392 102.916 12.002 -11.023 1.00 0.00 H new ATOM 0 HG12 VAL A 392 103.614 12.651 -9.520 1.00 0.00 H new ATOM 0 HG13 VAL A 392 102.022 11.856 -9.491 1.00 0.00 H new ATOM 0 HG21 VAL A 392 100.939 13.119 -12.066 1.00 0.00 H new ATOM 0 HG22 VAL A 392 100.047 12.976 -10.533 1.00 0.00 H new ATOM 0 HG23 VAL A 392 100.233 14.567 -11.309 1.00 0.00 H new ATOM 1081 N TYR A 393 102.988 14.813 -6.978 1.00 0.00 N ATOM 1082 CA TYR A 393 104.172 15.141 -6.182 1.00 0.00 C ATOM 1083 C TYR A 393 105.012 13.895 -5.927 1.00 0.00 C ATOM 1084 O TYR A 393 104.482 12.834 -5.596 1.00 0.00 O ATOM 1085 CB TYR A 393 103.744 15.748 -4.845 1.00 0.00 C ATOM 1086 CG TYR A 393 102.701 16.812 -5.083 1.00 0.00 C ATOM 1087 CD1 TYR A 393 101.348 16.460 -5.163 1.00 0.00 C ATOM 1088 CD2 TYR A 393 103.086 18.150 -5.223 1.00 0.00 C ATOM 1089 CE1 TYR A 393 100.381 17.446 -5.382 1.00 0.00 C ATOM 1090 CE2 TYR A 393 102.117 19.138 -5.442 1.00 0.00 C ATOM 1091 CZ TYR A 393 100.765 18.786 -5.522 1.00 0.00 C ATOM 1092 OH TYR A 393 99.811 19.759 -5.738 1.00 0.00 O ATOM 0 H TYR A 393 102.177 14.526 -6.430 1.00 0.00 H new ATOM 0 HA TYR A 393 104.772 15.861 -6.738 1.00 0.00 H new ATOM 0 HB2 TYR A 393 103.344 14.972 -4.193 1.00 0.00 H new ATOM 0 HB3 TYR A 393 104.607 16.178 -4.336 1.00 0.00 H new ATOM 0 HD1 TYR A 393 101.051 15.427 -5.056 1.00 0.00 H new ATOM 0 HD2 TYR A 393 104.130 18.421 -5.162 1.00 0.00 H new ATOM 0 HE1 TYR A 393 99.338 17.174 -5.443 1.00 0.00 H new ATOM 0 HE2 TYR A 393 102.413 20.171 -5.549 1.00 0.00 H new ATOM 0 HH TYR A 393 100.247 20.634 -5.811 1.00 0.00 H new ATOM 1102 N ALA A 394 106.325 14.031 -6.086 1.00 0.00 N ATOM 1103 CA ALA A 394 107.236 12.908 -5.875 1.00 0.00 C ATOM 1104 C ALA A 394 106.839 12.104 -4.639 1.00 0.00 C ATOM 1105 O ALA A 394 106.473 10.933 -4.742 1.00 0.00 O ATOM 1106 CB ALA A 394 108.668 13.423 -5.710 1.00 0.00 C ATOM 0 H ALA A 394 106.781 14.902 -6.359 1.00 0.00 H new ATOM 0 HA ALA A 394 107.177 12.256 -6.746 1.00 0.00 H new ATOM 0 HB1 ALA A 394 109.342 12.581 -5.553 1.00 0.00 H new ATOM 0 HB2 ALA A 394 108.966 13.964 -6.608 1.00 0.00 H new ATOM 0 HB3 ALA A 394 108.717 14.092 -4.851 1.00 0.00 H new ATOM 1112 N SER A 395 106.916 12.736 -3.465 1.00 0.00 N ATOM 1113 CA SER A 395 106.565 12.067 -2.209 1.00 0.00 C ATOM 1114 C SER A 395 105.709 12.981 -1.337 1.00 0.00 C ATOM 1115 O SER A 395 105.223 14.015 -1.796 1.00 0.00 O ATOM 1116 CB SER A 395 107.840 11.684 -1.457 1.00 0.00 C ATOM 1117 OG SER A 395 107.501 11.208 -0.162 1.00 0.00 O ATOM 0 H SER A 395 107.217 13.705 -3.358 1.00 0.00 H new ATOM 0 HA SER A 395 105.993 11.168 -2.439 1.00 0.00 H new ATOM 0 HB2 SER A 395 108.383 10.916 -2.008 1.00 0.00 H new ATOM 0 HB3 SER A 395 108.501 12.547 -1.377 1.00 0.00 H new ATOM 0 HG SER A 395 108.318 10.961 0.320 1.00 0.00 H new ATOM 1123 N LYS A 396 105.528 12.595 -0.078 1.00 0.00 N ATOM 1124 CA LYS A 396 104.727 13.391 0.847 1.00 0.00 C ATOM 1125 C LYS A 396 105.420 14.726 1.125 1.00 0.00 C ATOM 1126 O LYS A 396 104.806 15.789 1.030 1.00 0.00 O ATOM 1127 CB LYS A 396 104.524 12.611 2.161 1.00 0.00 C ATOM 1128 CG LYS A 396 103.188 12.995 2.817 1.00 0.00 C ATOM 1129 CD LYS A 396 103.111 14.516 2.996 1.00 0.00 C ATOM 1130 CE LYS A 396 102.025 14.861 4.018 1.00 0.00 C ATOM 1131 NZ LYS A 396 101.869 16.341 4.096 1.00 0.00 N ATOM 0 H LYS A 396 105.921 11.744 0.323 1.00 0.00 H new ATOM 0 HA LYS A 396 103.754 13.591 0.399 1.00 0.00 H new ATOM 0 HB2 LYS A 396 104.542 11.540 1.961 1.00 0.00 H new ATOM 0 HB3 LYS A 396 105.345 12.822 2.846 1.00 0.00 H new ATOM 0 HG2 LYS A 396 102.358 12.650 2.200 1.00 0.00 H new ATOM 0 HG3 LYS A 396 103.093 12.501 3.784 1.00 0.00 H new ATOM 0 HD2 LYS A 396 104.074 14.902 3.330 1.00 0.00 H new ATOM 0 HD3 LYS A 396 102.890 14.993 2.041 1.00 0.00 H new ATOM 0 HE2 LYS A 396 101.080 14.400 3.731 1.00 0.00 H new ATOM 0 HE3 LYS A 396 102.291 14.460 4.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 396 101.302 16.587 4.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 396 102.806 16.785 4.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 396 101.390 16.685 3.239 1.00 0.00 H new ATOM 1145 N GLU A 397 106.704 14.658 1.464 1.00 0.00 N ATOM 1146 CA GLU A 397 107.485 15.859 1.754 1.00 0.00 C ATOM 1147 C GLU A 397 107.119 16.994 0.795 1.00 0.00 C ATOM 1148 O GLU A 397 106.995 18.148 1.205 1.00 0.00 O ATOM 1149 CB GLU A 397 108.982 15.541 1.638 1.00 0.00 C ATOM 1150 CG GLU A 397 109.211 14.597 0.455 1.00 0.00 C ATOM 1151 CD GLU A 397 110.706 14.421 0.210 1.00 0.00 C ATOM 1152 OE1 GLU A 397 111.475 14.783 1.085 1.00 0.00 O ATOM 1153 OE2 GLU A 397 111.058 13.927 -0.847 1.00 0.00 O ATOM 0 H GLU A 397 107.226 13.786 1.545 1.00 0.00 H new ATOM 0 HA GLU A 397 107.257 16.183 2.770 1.00 0.00 H new ATOM 0 HB2 GLU A 397 109.551 16.460 1.499 1.00 0.00 H new ATOM 0 HB3 GLU A 397 109.340 15.081 2.559 1.00 0.00 H new ATOM 0 HG2 GLU A 397 108.751 13.630 0.657 1.00 0.00 H new ATOM 0 HG3 GLU A 397 108.732 14.998 -0.439 1.00 0.00 H new ATOM 1160 N GLU A 398 106.949 16.655 -0.478 1.00 0.00 N ATOM 1161 CA GLU A 398 106.598 17.652 -1.487 1.00 0.00 C ATOM 1162 C GLU A 398 105.092 17.887 -1.513 1.00 0.00 C ATOM 1163 O GLU A 398 104.633 19.004 -1.752 1.00 0.00 O ATOM 1164 CB GLU A 398 107.066 17.181 -2.865 1.00 0.00 C ATOM 1165 CG GLU A 398 108.591 17.270 -2.945 1.00 0.00 C ATOM 1166 CD GLU A 398 109.077 16.725 -4.284 1.00 0.00 C ATOM 1167 OE1 GLU A 398 108.240 16.450 -5.129 1.00 0.00 O ATOM 1168 OE2 GLU A 398 110.278 16.592 -4.446 1.00 0.00 O ATOM 0 H GLU A 398 107.047 15.705 -0.836 1.00 0.00 H new ATOM 0 HA GLU A 398 107.093 18.589 -1.232 1.00 0.00 H new ATOM 0 HB2 GLU A 398 106.741 16.155 -3.040 1.00 0.00 H new ATOM 0 HB3 GLU A 398 106.614 17.795 -3.644 1.00 0.00 H new ATOM 0 HG2 GLU A 398 108.909 18.306 -2.828 1.00 0.00 H new ATOM 0 HG3 GLU A 398 109.040 16.704 -2.129 1.00 0.00 H new ATOM 1175 N ALA A 399 104.326 16.828 -1.270 1.00 0.00 N ATOM 1176 CA ALA A 399 102.871 16.934 -1.274 1.00 0.00 C ATOM 1177 C ALA A 399 102.380 17.677 -0.033 1.00 0.00 C ATOM 1178 O ALA A 399 101.192 17.976 0.093 1.00 0.00 O ATOM 1179 CB ALA A 399 102.246 15.533 -1.327 1.00 0.00 C ATOM 0 H ALA A 399 104.684 15.894 -1.069 1.00 0.00 H new ATOM 0 HA ALA A 399 102.567 17.498 -2.156 1.00 0.00 H new ATOM 0 HB1 ALA A 399 101.159 15.619 -1.330 1.00 0.00 H new ATOM 0 HB2 ALA A 399 102.572 15.023 -2.234 1.00 0.00 H new ATOM 0 HB3 ALA A 399 102.562 14.960 -0.455 1.00 0.00 H new ATOM 1185 N LYS A 400 103.299 17.973 0.880 1.00 0.00 N ATOM 1186 CA LYS A 400 102.943 18.680 2.104 1.00 0.00 C ATOM 1187 C LYS A 400 102.576 20.129 1.801 1.00 0.00 C ATOM 1188 O LYS A 400 101.398 20.483 1.748 1.00 0.00 O ATOM 1189 CB LYS A 400 104.113 18.644 3.089 1.00 0.00 C ATOM 1190 CG LYS A 400 103.725 19.387 4.368 1.00 0.00 C ATOM 1191 CD LYS A 400 104.774 19.128 5.451 1.00 0.00 C ATOM 1192 CE LYS A 400 104.371 19.854 6.735 1.00 0.00 C ATOM 1193 NZ LYS A 400 105.381 19.583 7.797 1.00 0.00 N ATOM 0 H LYS A 400 104.288 17.737 0.797 1.00 0.00 H new ATOM 0 HA LYS A 400 102.080 18.184 2.547 1.00 0.00 H new ATOM 0 HB2 LYS A 400 104.376 17.612 3.321 1.00 0.00 H new ATOM 0 HB3 LYS A 400 104.994 19.104 2.641 1.00 0.00 H new ATOM 0 HG2 LYS A 400 103.648 20.456 4.170 1.00 0.00 H new ATOM 0 HG3 LYS A 400 102.745 19.055 4.710 1.00 0.00 H new ATOM 0 HD2 LYS A 400 104.862 18.058 5.638 1.00 0.00 H new ATOM 0 HD3 LYS A 400 105.751 19.475 5.116 1.00 0.00 H new ATOM 0 HE2 LYS A 400 104.299 20.926 6.552 1.00 0.00 H new ATOM 0 HE3 LYS A 400 103.386 19.519 7.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 400 105.107 20.077 8.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 400 105.429 18.560 7.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 400 106.313 19.923 7.485 1.00 0.00 H new ATOM 1207 N LYS A 401 103.593 20.961 1.604 1.00 0.00 N ATOM 1208 CA LYS A 401 103.364 22.372 1.308 1.00 0.00 C ATOM 1209 C LYS A 401 102.374 22.527 0.159 1.00 0.00 C ATOM 1210 O LYS A 401 101.740 23.572 0.010 1.00 0.00 O ATOM 1211 CB LYS A 401 104.686 23.048 0.939 1.00 0.00 C ATOM 1212 CG LYS A 401 105.374 22.250 -0.169 1.00 0.00 C ATOM 1213 CD LYS A 401 106.689 22.933 -0.548 1.00 0.00 C ATOM 1214 CE LYS A 401 107.445 22.057 -1.547 1.00 0.00 C ATOM 1215 NZ LYS A 401 106.730 22.064 -2.855 1.00 0.00 N ATOM 0 H LYS A 401 104.575 20.687 1.643 1.00 0.00 H new ATOM 0 HA LYS A 401 102.947 22.847 2.196 1.00 0.00 H new ATOM 0 HB2 LYS A 401 104.504 24.070 0.607 1.00 0.00 H new ATOM 0 HB3 LYS A 401 105.333 23.108 1.814 1.00 0.00 H new ATOM 0 HG2 LYS A 401 105.565 21.231 0.167 1.00 0.00 H new ATOM 0 HG3 LYS A 401 104.723 22.182 -1.041 1.00 0.00 H new ATOM 0 HD2 LYS A 401 106.491 23.913 -0.983 1.00 0.00 H new ATOM 0 HD3 LYS A 401 107.297 23.097 0.342 1.00 0.00 H new ATOM 0 HE2 LYS A 401 108.462 22.427 -1.675 1.00 0.00 H new ATOM 0 HE3 LYS A 401 107.522 21.038 -1.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 401 107.332 21.627 -3.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 401 105.844 21.525 -2.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 401 106.514 23.044 -3.127 1.00 0.00 H new ATOM 1229 N ALA A 402 102.245 21.482 -0.652 1.00 0.00 N ATOM 1230 CA ALA A 402 101.328 21.516 -1.785 1.00 0.00 C ATOM 1231 C ALA A 402 99.910 21.830 -1.316 1.00 0.00 C ATOM 1232 O ALA A 402 99.306 22.811 -1.748 1.00 0.00 O ATOM 1233 CB ALA A 402 101.342 20.171 -2.512 1.00 0.00 C ATOM 0 H ALA A 402 102.760 20.608 -0.547 1.00 0.00 H new ATOM 0 HA ALA A 402 101.655 22.299 -2.469 1.00 0.00 H new ATOM 0 HB1 ALA A 402 100.654 20.207 -3.357 1.00 0.00 H new ATOM 0 HB2 ALA A 402 102.349 19.963 -2.873 1.00 0.00 H new ATOM 0 HB3 ALA A 402 101.033 19.383 -1.825 1.00 0.00 H new ATOM 1239 N VAL A 403 99.383 20.987 -0.434 1.00 0.00 N ATOM 1240 CA VAL A 403 98.032 21.179 0.086 1.00 0.00 C ATOM 1241 C VAL A 403 97.780 22.645 0.427 1.00 0.00 C ATOM 1242 O VAL A 403 96.644 23.116 0.379 1.00 0.00 O ATOM 1243 CB VAL A 403 97.830 20.323 1.338 1.00 0.00 C ATOM 1244 CG1 VAL A 403 96.430 20.567 1.904 1.00 0.00 C ATOM 1245 CG2 VAL A 403 97.983 18.846 0.977 1.00 0.00 C ATOM 0 H VAL A 403 99.867 20.168 -0.065 1.00 0.00 H new ATOM 0 HA VAL A 403 97.325 20.875 -0.686 1.00 0.00 H new ATOM 0 HB VAL A 403 98.576 20.593 2.085 1.00 0.00 H new ATOM 0 HG11 VAL A 403 96.287 19.957 2.796 1.00 0.00 H new ATOM 0 HG12 VAL A 403 96.321 21.620 2.163 1.00 0.00 H new ATOM 0 HG13 VAL A 403 95.683 20.298 1.157 1.00 0.00 H new ATOM 0 HG21 VAL A 403 97.839 18.237 1.869 1.00 0.00 H new ATOM 0 HG22 VAL A 403 97.238 18.575 0.229 1.00 0.00 H new ATOM 0 HG23 VAL A 403 98.981 18.671 0.575 1.00 0.00 H new ATOM 1255 N SER A 404 98.844 23.360 0.776 1.00 0.00 N ATOM 1256 CA SER A 404 98.722 24.770 1.129 1.00 0.00 C ATOM 1257 C SER A 404 98.332 25.602 -0.089 1.00 0.00 C ATOM 1258 O SER A 404 97.608 26.590 0.028 1.00 0.00 O ATOM 1259 CB SER A 404 100.047 25.284 1.696 1.00 0.00 C ATOM 1260 OG SER A 404 100.886 25.695 0.625 1.00 0.00 O ATOM 0 H SER A 404 99.794 22.990 0.822 1.00 0.00 H new ATOM 0 HA SER A 404 97.941 24.866 1.883 1.00 0.00 H new ATOM 0 HB2 SER A 404 99.867 26.119 2.373 1.00 0.00 H new ATOM 0 HB3 SER A 404 100.536 24.502 2.277 1.00 0.00 H new ATOM 0 HG SER A 404 101.559 25.003 0.452 1.00 0.00 H new ATOM 1266 N THR A 405 98.822 25.201 -1.258 1.00 0.00 N ATOM 1267 CA THR A 405 98.523 25.924 -2.489 1.00 0.00 C ATOM 1268 C THR A 405 97.019 25.951 -2.750 1.00 0.00 C ATOM 1269 O THR A 405 96.437 27.017 -2.957 1.00 0.00 O ATOM 1270 CB THR A 405 99.234 25.260 -3.670 1.00 0.00 C ATOM 1271 OG1 THR A 405 98.742 23.938 -3.833 1.00 0.00 O ATOM 1272 CG2 THR A 405 100.740 25.216 -3.401 1.00 0.00 C ATOM 0 H THR A 405 99.423 24.386 -1.379 1.00 0.00 H new ATOM 0 HA THR A 405 98.877 26.949 -2.378 1.00 0.00 H new ATOM 0 HB THR A 405 99.046 25.833 -4.578 1.00 0.00 H new ATOM 0 HG1 THR A 405 99.193 23.341 -3.200 1.00 0.00 H new ATOM 0 HG21 THR A 405 101.246 24.743 -4.242 1.00 0.00 H new ATOM 0 HG22 THR A 405 101.117 26.231 -3.275 1.00 0.00 H new ATOM 0 HG23 THR A 405 100.931 24.643 -2.494 1.00 0.00 H new ATOM 1280 N LEU A 406 96.393 24.776 -2.749 1.00 0.00 N ATOM 1281 CA LEU A 406 94.956 24.680 -2.997 1.00 0.00 C ATOM 1282 C LEU A 406 94.204 25.809 -2.277 1.00 0.00 C ATOM 1283 O LEU A 406 94.618 26.239 -1.201 1.00 0.00 O ATOM 1284 CB LEU A 406 94.433 23.325 -2.501 1.00 0.00 C ATOM 1285 CG LEU A 406 95.394 22.206 -2.917 1.00 0.00 C ATOM 1286 CD1 LEU A 406 94.751 20.850 -2.622 1.00 0.00 C ATOM 1287 CD2 LEU A 406 95.696 22.311 -4.417 1.00 0.00 C ATOM 0 H LEU A 406 96.855 23.882 -2.580 1.00 0.00 H new ATOM 0 HA LEU A 406 94.785 24.771 -4.070 1.00 0.00 H new ATOM 0 HB2 LEU A 406 94.329 23.341 -1.416 1.00 0.00 H new ATOM 0 HB3 LEU A 406 93.442 23.136 -2.913 1.00 0.00 H new ATOM 0 HG LEU A 406 96.323 22.302 -2.356 1.00 0.00 H new ATOM 0 HD11 LEU A 406 95.433 20.052 -2.917 1.00 0.00 H new ATOM 0 HD12 LEU A 406 94.540 20.771 -1.555 1.00 0.00 H new ATOM 0 HD13 LEU A 406 93.821 20.759 -3.183 1.00 0.00 H new ATOM 0 HD21 LEU A 406 96.380 21.513 -4.707 1.00 0.00 H new ATOM 0 HD22 LEU A 406 94.769 22.218 -4.982 1.00 0.00 H new ATOM 0 HD23 LEU A 406 96.155 23.277 -4.629 1.00 0.00 H new ATOM 1299 N PRO A 407 93.113 26.293 -2.834 1.00 0.00 N ATOM 1300 CA PRO A 407 92.314 27.386 -2.201 1.00 0.00 C ATOM 1301 C PRO A 407 91.534 26.884 -0.987 1.00 0.00 C ATOM 1302 O PRO A 407 91.617 25.709 -0.627 1.00 0.00 O ATOM 1303 CB PRO A 407 91.371 27.834 -3.326 1.00 0.00 C ATOM 1304 CG PRO A 407 91.186 26.615 -4.169 1.00 0.00 C ATOM 1305 CD PRO A 407 92.518 25.864 -4.115 1.00 0.00 C ATOM 0 HA PRO A 407 92.936 28.196 -1.819 1.00 0.00 H new ATOM 0 HB2 PRO A 407 90.420 28.189 -2.929 1.00 0.00 H new ATOM 0 HB3 PRO A 407 91.802 28.653 -3.902 1.00 0.00 H new ATOM 0 HG2 PRO A 407 90.373 25.997 -3.789 1.00 0.00 H new ATOM 0 HG3 PRO A 407 90.930 26.884 -5.194 1.00 0.00 H new ATOM 0 HD2 PRO A 407 92.370 24.785 -4.146 1.00 0.00 H new ATOM 0 HD3 PRO A 407 93.157 26.122 -4.959 1.00 0.00 H new ATOM 1313 N ALA A 408 90.777 27.779 -0.362 1.00 0.00 N ATOM 1314 CA ALA A 408 89.988 27.410 0.806 1.00 0.00 C ATOM 1315 C ALA A 408 88.909 26.401 0.421 1.00 0.00 C ATOM 1316 O ALA A 408 88.794 25.338 1.031 1.00 0.00 O ATOM 1317 CB ALA A 408 89.336 28.655 1.412 1.00 0.00 C ATOM 0 H ALA A 408 90.693 28.756 -0.642 1.00 0.00 H new ATOM 0 HA ALA A 408 90.650 26.956 1.543 1.00 0.00 H new ATOM 0 HB1 ALA A 408 88.748 28.370 2.284 1.00 0.00 H new ATOM 0 HB2 ALA A 408 90.110 29.362 1.711 1.00 0.00 H new ATOM 0 HB3 ALA A 408 88.685 29.121 0.673 1.00 0.00 H new ATOM 1323 N ASP A 409 88.123 26.743 -0.595 1.00 0.00 N ATOM 1324 CA ASP A 409 87.053 25.864 -1.057 1.00 0.00 C ATOM 1325 C ASP A 409 87.525 24.413 -1.114 1.00 0.00 C ATOM 1326 O ASP A 409 86.812 23.502 -0.695 1.00 0.00 O ATOM 1327 CB ASP A 409 86.582 26.303 -2.445 1.00 0.00 C ATOM 1328 CG ASP A 409 85.267 25.614 -2.792 1.00 0.00 C ATOM 1329 OD1 ASP A 409 85.312 24.458 -3.181 1.00 0.00 O ATOM 1330 OD2 ASP A 409 84.236 26.252 -2.664 1.00 0.00 O ATOM 0 H ASP A 409 88.206 27.618 -1.112 1.00 0.00 H new ATOM 0 HA ASP A 409 86.226 25.933 -0.350 1.00 0.00 H new ATOM 0 HB2 ASP A 409 86.452 27.385 -2.469 1.00 0.00 H new ATOM 0 HB3 ASP A 409 87.339 26.056 -3.190 1.00 0.00 H new ATOM 1335 N VAL A 410 88.731 24.204 -1.634 1.00 0.00 N ATOM 1336 CA VAL A 410 89.283 22.858 -1.737 1.00 0.00 C ATOM 1337 C VAL A 410 89.796 22.385 -0.380 1.00 0.00 C ATOM 1338 O VAL A 410 89.531 21.257 0.035 1.00 0.00 O ATOM 1339 CB VAL A 410 90.421 22.835 -2.761 1.00 0.00 C ATOM 1340 CG1 VAL A 410 91.080 21.453 -2.768 1.00 0.00 C ATOM 1341 CG2 VAL A 410 89.856 23.133 -4.151 1.00 0.00 C ATOM 0 H VAL A 410 89.340 24.942 -1.988 1.00 0.00 H new ATOM 0 HA VAL A 410 88.492 22.184 -2.065 1.00 0.00 H new ATOM 0 HB VAL A 410 91.163 23.588 -2.495 1.00 0.00 H new ATOM 0 HG11 VAL A 410 91.890 21.440 -3.498 1.00 0.00 H new ATOM 0 HG12 VAL A 410 91.480 21.236 -1.778 1.00 0.00 H new ATOM 0 HG13 VAL A 410 90.340 20.698 -3.033 1.00 0.00 H new ATOM 0 HG21 VAL A 410 90.664 23.118 -4.883 1.00 0.00 H new ATOM 0 HG22 VAL A 410 89.115 22.378 -4.412 1.00 0.00 H new ATOM 0 HG23 VAL A 410 89.386 24.117 -4.150 1.00 0.00 H new ATOM 1351 N GLN A 411 90.526 23.256 0.309 1.00 0.00 N ATOM 1352 CA GLN A 411 91.061 22.913 1.622 1.00 0.00 C ATOM 1353 C GLN A 411 89.923 22.740 2.622 1.00 0.00 C ATOM 1354 O GLN A 411 90.118 22.221 3.721 1.00 0.00 O ATOM 1355 CB GLN A 411 92.013 24.011 2.102 1.00 0.00 C ATOM 1356 CG GLN A 411 92.738 23.548 3.368 1.00 0.00 C ATOM 1357 CD GLN A 411 93.861 24.521 3.709 1.00 0.00 C ATOM 1358 OE1 GLN A 411 93.600 25.640 4.151 1.00 0.00 O ATOM 1359 NE2 GLN A 411 95.101 24.160 3.529 1.00 0.00 N ATOM 0 H GLN A 411 90.759 24.195 -0.015 1.00 0.00 H new ATOM 0 HA GLN A 411 91.610 21.975 1.544 1.00 0.00 H new ATOM 0 HB2 GLN A 411 92.737 24.245 1.322 1.00 0.00 H new ATOM 0 HB3 GLN A 411 91.456 24.926 2.304 1.00 0.00 H new ATOM 0 HG2 GLN A 411 92.034 23.486 4.198 1.00 0.00 H new ATOM 0 HG3 GLN A 411 93.145 22.548 3.219 1.00 0.00 H new ATOM 0 HE21 GLN A 411 95.314 23.232 3.163 1.00 0.00 H new ATOM 0 HE22 GLN A 411 95.858 24.805 3.755 1.00 0.00 H new ATOM 1368 N ALA A 412 88.732 23.182 2.227 1.00 0.00 N ATOM 1369 CA ALA A 412 87.558 23.075 3.087 1.00 0.00 C ATOM 1370 C ALA A 412 87.500 21.700 3.747 1.00 0.00 C ATOM 1371 O ALA A 412 87.230 21.584 4.942 1.00 0.00 O ATOM 1372 CB ALA A 412 86.287 23.302 2.265 1.00 0.00 C ATOM 0 H ALA A 412 88.555 23.616 1.321 1.00 0.00 H new ATOM 0 HA ALA A 412 87.630 23.836 3.864 1.00 0.00 H new ATOM 0 HB1 ALA A 412 85.415 23.221 2.914 1.00 0.00 H new ATOM 0 HB2 ALA A 412 86.315 24.296 1.818 1.00 0.00 H new ATOM 0 HB3 ALA A 412 86.224 22.551 1.477 1.00 0.00 H new ATOM 1378 N LYS A 413 87.762 20.660 2.959 1.00 0.00 N ATOM 1379 CA LYS A 413 87.746 19.292 3.471 1.00 0.00 C ATOM 1380 C LYS A 413 89.102 18.955 4.087 1.00 0.00 C ATOM 1381 O LYS A 413 89.252 17.954 4.788 1.00 0.00 O ATOM 1382 CB LYS A 413 87.431 18.307 2.330 1.00 0.00 C ATOM 1383 CG LYS A 413 86.493 18.969 1.317 1.00 0.00 C ATOM 1384 CD LYS A 413 85.216 19.444 2.021 1.00 0.00 C ATOM 1385 CE LYS A 413 84.118 19.701 0.984 1.00 0.00 C ATOM 1386 NZ LYS A 413 83.544 18.400 0.535 1.00 0.00 N ATOM 0 H LYS A 413 87.987 20.738 1.967 1.00 0.00 H new ATOM 0 HA LYS A 413 86.974 19.207 4.236 1.00 0.00 H new ATOM 0 HB2 LYS A 413 88.354 17.999 1.838 1.00 0.00 H new ATOM 0 HB3 LYS A 413 86.969 17.406 2.733 1.00 0.00 H new ATOM 0 HG2 LYS A 413 86.993 19.814 0.843 1.00 0.00 H new ATOM 0 HG3 LYS A 413 86.241 18.263 0.526 1.00 0.00 H new ATOM 0 HD2 LYS A 413 84.884 18.693 2.738 1.00 0.00 H new ATOM 0 HD3 LYS A 413 85.418 20.355 2.584 1.00 0.00 H new ATOM 0 HE2 LYS A 413 83.336 20.327 1.414 1.00 0.00 H new ATOM 0 HE3 LYS A 413 84.527 20.243 0.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 82.574 18.549 0.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 84.128 18.009 -0.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 83.529 17.733 1.333 1.00 0.00 H new ATOM 1400 N ASN A 414 90.082 19.804 3.803 1.00 0.00 N ATOM 1401 CA ASN A 414 91.432 19.609 4.316 1.00 0.00 C ATOM 1402 C ASN A 414 91.967 18.242 3.897 1.00 0.00 C ATOM 1403 O ASN A 414 92.145 17.352 4.727 1.00 0.00 O ATOM 1404 CB ASN A 414 91.434 19.719 5.843 1.00 0.00 C ATOM 1405 CG ASN A 414 92.846 19.513 6.379 1.00 0.00 C ATOM 1406 OD1 ASN A 414 93.055 18.712 7.290 1.00 0.00 O ATOM 1407 ND2 ASN A 414 93.835 20.193 5.866 1.00 0.00 N ATOM 0 H ASN A 414 89.967 20.634 3.221 1.00 0.00 H new ATOM 0 HA ASN A 414 92.077 20.383 3.900 1.00 0.00 H new ATOM 0 HB2 ASN A 414 91.060 20.697 6.146 1.00 0.00 H new ATOM 0 HB3 ASN A 414 90.762 18.975 6.270 1.00 0.00 H new ATOM 0 HD21 ASN A 414 94.782 20.061 6.220 1.00 0.00 H new ATOM 0 HD22 ASN A 414 93.660 20.856 5.111 1.00 0.00 H new ATOM 1414 N PRO A 415 92.219 18.066 2.626 1.00 0.00 N ATOM 1415 CA PRO A 415 92.741 16.780 2.072 1.00 0.00 C ATOM 1416 C PRO A 415 93.901 16.215 2.893 1.00 0.00 C ATOM 1417 O PRO A 415 94.416 16.871 3.798 1.00 0.00 O ATOM 1418 CB PRO A 415 93.197 17.161 0.658 1.00 0.00 C ATOM 1419 CG PRO A 415 92.328 18.317 0.274 1.00 0.00 C ATOM 1420 CD PRO A 415 92.034 19.079 1.571 1.00 0.00 C ATOM 0 HA PRO A 415 91.988 15.992 2.087 1.00 0.00 H new ATOM 0 HB2 PRO A 415 94.251 17.437 0.643 1.00 0.00 H new ATOM 0 HB3 PRO A 415 93.076 16.328 -0.034 1.00 0.00 H new ATOM 0 HG2 PRO A 415 92.831 18.959 -0.449 1.00 0.00 H new ATOM 0 HG3 PRO A 415 91.405 17.972 -0.193 1.00 0.00 H new ATOM 0 HD2 PRO A 415 92.713 19.921 1.702 1.00 0.00 H new ATOM 0 HD3 PRO A 415 91.021 19.482 1.577 1.00 0.00 H new ATOM 1428 N TRP A 416 94.302 14.988 2.562 1.00 0.00 N ATOM 1429 CA TRP A 416 95.401 14.325 3.262 1.00 0.00 C ATOM 1430 C TRP A 416 96.157 13.405 2.309 1.00 0.00 C ATOM 1431 O TRP A 416 95.729 13.183 1.176 1.00 0.00 O ATOM 1432 CB TRP A 416 94.855 13.510 4.435 1.00 0.00 C ATOM 1433 CG TRP A 416 93.733 12.645 3.958 1.00 0.00 C ATOM 1434 CD1 TRP A 416 92.530 13.097 3.534 1.00 0.00 C ATOM 1435 CD2 TRP A 416 93.686 11.193 3.847 1.00 0.00 C ATOM 1436 NE1 TRP A 416 91.749 12.016 3.171 1.00 0.00 N ATOM 1437 CE2 TRP A 416 92.417 10.820 3.345 1.00 0.00 C ATOM 1438 CE3 TRP A 416 94.613 10.174 4.130 1.00 0.00 C ATOM 1439 CZ2 TRP A 416 92.079 9.483 3.131 1.00 0.00 C ATOM 1440 CZ3 TRP A 416 94.276 8.827 3.917 1.00 0.00 C ATOM 1441 CH2 TRP A 416 93.012 8.483 3.418 1.00 0.00 C ATOM 0 H TRP A 416 93.883 14.434 1.815 1.00 0.00 H new ATOM 0 HA TRP A 416 96.085 15.086 3.637 1.00 0.00 H new ATOM 0 HB2 TRP A 416 95.646 12.895 4.864 1.00 0.00 H new ATOM 0 HB3 TRP A 416 94.505 14.176 5.224 1.00 0.00 H new ATOM 0 HD1 TRP A 416 92.229 14.133 3.487 1.00 0.00 H new ATOM 0 HE1 TRP A 416 90.795 12.092 2.818 1.00 0.00 H new ATOM 0 HE3 TRP A 416 95.590 10.429 4.513 1.00 0.00 H new ATOM 0 HZ2 TRP A 416 91.104 9.223 2.747 1.00 0.00 H new ATOM 0 HZ3 TRP A 416 94.995 8.052 4.139 1.00 0.00 H new ATOM 0 HH2 TRP A 416 92.759 7.446 3.255 1.00 0.00 H new ATOM 1452 N ALA A 417 97.284 12.874 2.773 1.00 0.00 N ATOM 1453 CA ALA A 417 98.092 11.981 1.948 1.00 0.00 C ATOM 1454 C ALA A 417 97.393 10.637 1.764 1.00 0.00 C ATOM 1455 O ALA A 417 97.401 9.794 2.662 1.00 0.00 O ATOM 1456 CB ALA A 417 99.459 11.763 2.598 1.00 0.00 C ATOM 0 H ALA A 417 97.656 13.044 3.707 1.00 0.00 H new ATOM 0 HA ALA A 417 98.224 12.444 0.970 1.00 0.00 H new ATOM 0 HB1 ALA A 417 100.055 11.096 1.976 1.00 0.00 H new ATOM 0 HB2 ALA A 417 99.971 12.720 2.698 1.00 0.00 H new ATOM 0 HB3 ALA A 417 99.326 11.318 3.584 1.00 0.00 H new ATOM 1462 N LYS A 418 96.788 10.444 0.592 1.00 0.00 N ATOM 1463 CA LYS A 418 96.081 9.198 0.283 1.00 0.00 C ATOM 1464 C LYS A 418 96.655 8.559 -0.984 1.00 0.00 C ATOM 1465 O LYS A 418 96.124 8.754 -2.077 1.00 0.00 O ATOM 1466 CB LYS A 418 94.595 9.494 0.067 1.00 0.00 C ATOM 1467 CG LYS A 418 93.818 8.178 0.002 1.00 0.00 C ATOM 1468 CD LYS A 418 92.354 8.466 -0.335 1.00 0.00 C ATOM 1469 CE LYS A 418 91.657 7.163 -0.731 1.00 0.00 C ATOM 1470 NZ LYS A 418 92.320 6.594 -1.939 1.00 0.00 N ATOM 0 H LYS A 418 96.772 11.133 -0.160 1.00 0.00 H new ATOM 0 HA LYS A 418 96.206 8.508 1.118 1.00 0.00 H new ATOM 0 HB2 LYS A 418 94.215 10.114 0.879 1.00 0.00 H new ATOM 0 HB3 LYS A 418 94.456 10.057 -0.856 1.00 0.00 H new ATOM 0 HG2 LYS A 418 94.254 7.523 -0.752 1.00 0.00 H new ATOM 0 HG3 LYS A 418 93.887 7.655 0.956 1.00 0.00 H new ATOM 0 HD2 LYS A 418 91.853 8.913 0.524 1.00 0.00 H new ATOM 0 HD3 LYS A 418 92.292 9.187 -1.150 1.00 0.00 H new ATOM 0 HE2 LYS A 418 91.701 6.449 0.092 1.00 0.00 H new ATOM 0 HE3 LYS A 418 90.603 7.349 -0.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 418 91.663 5.952 -2.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 418 92.590 7.365 -2.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 418 93.170 6.068 -1.653 1.00 0.00 H new ATOM 1484 N PRO A 419 97.720 7.806 -0.859 1.00 0.00 N ATOM 1485 CA PRO A 419 98.368 7.129 -2.024 1.00 0.00 C ATOM 1486 C PRO A 419 97.362 6.364 -2.885 1.00 0.00 C ATOM 1487 O PRO A 419 96.171 6.323 -2.578 1.00 0.00 O ATOM 1488 CB PRO A 419 99.380 6.179 -1.368 1.00 0.00 C ATOM 1489 CG PRO A 419 99.711 6.820 -0.060 1.00 0.00 C ATOM 1490 CD PRO A 419 98.429 7.517 0.399 1.00 0.00 C ATOM 0 HA PRO A 419 98.829 7.840 -2.710 1.00 0.00 H new ATOM 0 HB2 PRO A 419 98.955 5.185 -1.226 1.00 0.00 H new ATOM 0 HB3 PRO A 419 100.269 6.060 -1.987 1.00 0.00 H new ATOM 0 HG2 PRO A 419 100.034 6.077 0.669 1.00 0.00 H new ATOM 0 HG3 PRO A 419 100.527 7.535 -0.170 1.00 0.00 H new ATOM 0 HD2 PRO A 419 97.838 6.877 1.054 1.00 0.00 H new ATOM 0 HD3 PRO A 419 98.646 8.429 0.955 1.00 0.00 H new ATOM 1498 N LEU A 420 97.854 5.759 -3.963 1.00 0.00 N ATOM 1499 CA LEU A 420 96.995 4.996 -4.862 1.00 0.00 C ATOM 1500 C LEU A 420 96.724 3.608 -4.292 1.00 0.00 C ATOM 1501 O LEU A 420 95.941 2.840 -4.850 1.00 0.00 O ATOM 1502 CB LEU A 420 97.664 4.858 -6.234 1.00 0.00 C ATOM 1503 CG LEU A 420 97.929 6.251 -6.841 1.00 0.00 C ATOM 1504 CD1 LEU A 420 99.068 6.164 -7.861 1.00 0.00 C ATOM 1505 CD2 LEU A 420 96.667 6.766 -7.546 1.00 0.00 C ATOM 0 H LEU A 420 98.837 5.782 -4.234 1.00 0.00 H new ATOM 0 HA LEU A 420 96.050 5.528 -4.968 1.00 0.00 H new ATOM 0 HB2 LEU A 420 98.602 4.312 -6.136 1.00 0.00 H new ATOM 0 HB3 LEU A 420 97.026 4.278 -6.901 1.00 0.00 H new ATOM 0 HG LEU A 420 98.204 6.936 -6.038 1.00 0.00 H new ATOM 0 HD11 LEU A 420 99.251 7.151 -8.287 1.00 0.00 H new ATOM 0 HD12 LEU A 420 99.972 5.808 -7.367 1.00 0.00 H new ATOM 0 HD13 LEU A 420 98.792 5.471 -8.656 1.00 0.00 H new ATOM 0 HD21 LEU A 420 96.864 7.750 -7.971 1.00 0.00 H new ATOM 0 HD22 LEU A 420 96.388 6.076 -8.342 1.00 0.00 H new ATOM 0 HD23 LEU A 420 95.852 6.838 -6.826 1.00 0.00 H new ATOM 1517 N ARG A 421 97.380 3.292 -3.178 1.00 0.00 N ATOM 1518 CA ARG A 421 97.211 1.988 -2.537 1.00 0.00 C ATOM 1519 C ARG A 421 95.754 1.535 -2.591 1.00 0.00 C ATOM 1520 O ARG A 421 95.469 0.337 -2.619 1.00 0.00 O ATOM 1521 CB ARG A 421 97.668 2.061 -1.081 1.00 0.00 C ATOM 1522 CG ARG A 421 97.464 0.698 -0.414 1.00 0.00 C ATOM 1523 CD ARG A 421 98.235 0.654 0.905 1.00 0.00 C ATOM 1524 NE ARG A 421 97.883 1.800 1.735 1.00 0.00 N ATOM 1525 CZ ARG A 421 98.605 2.123 2.802 1.00 0.00 C ATOM 1526 NH1 ARG A 421 99.648 1.407 3.124 1.00 0.00 N ATOM 1527 NH2 ARG A 421 98.272 3.154 3.529 1.00 0.00 N ATOM 0 H ARG A 421 98.031 3.917 -2.702 1.00 0.00 H new ATOM 0 HA ARG A 421 97.820 1.263 -3.078 1.00 0.00 H new ATOM 0 HB2 ARG A 421 98.718 2.348 -1.032 1.00 0.00 H new ATOM 0 HB3 ARG A 421 97.103 2.827 -0.549 1.00 0.00 H new ATOM 0 HG2 ARG A 421 96.403 0.525 -0.233 1.00 0.00 H new ATOM 0 HG3 ARG A 421 97.808 -0.097 -1.075 1.00 0.00 H new ATOM 0 HD2 ARG A 421 98.009 -0.271 1.436 1.00 0.00 H new ATOM 0 HD3 ARG A 421 99.307 0.655 0.708 1.00 0.00 H new ATOM 0 HE ARG A 421 97.068 2.363 1.492 1.00 0.00 H new ATOM 0 HH11 ARG A 421 99.908 0.600 2.556 1.00 0.00 H new ATOM 0 HH12 ARG A 421 100.203 1.654 3.943 1.00 0.00 H new ATOM 0 HH21 ARG A 421 97.456 3.713 3.278 1.00 0.00 H new ATOM 0 HH22 ARG A 421 98.827 3.401 4.348 1.00 0.00 H new ATOM 1541 N GLN A 422 94.834 2.499 -2.604 1.00 0.00 N ATOM 1542 CA GLN A 422 93.404 2.193 -2.653 1.00 0.00 C ATOM 1543 C GLN A 422 92.873 2.337 -4.074 1.00 0.00 C ATOM 1544 O GLN A 422 92.382 1.373 -4.659 1.00 0.00 O ATOM 1545 CB GLN A 422 92.637 3.133 -1.721 1.00 0.00 C ATOM 1546 CG GLN A 422 93.260 3.086 -0.323 1.00 0.00 C ATOM 1547 CD GLN A 422 92.383 3.847 0.664 1.00 0.00 C ATOM 1548 OE1 GLN A 422 91.157 3.837 0.544 1.00 0.00 O ATOM 1549 NE2 GLN A 422 92.939 4.513 1.639 1.00 0.00 N ATOM 0 H GLN A 422 95.052 3.495 -2.581 1.00 0.00 H new ATOM 0 HA GLN A 422 93.261 1.163 -2.328 1.00 0.00 H new ATOM 0 HB2 GLN A 422 92.666 4.151 -2.110 1.00 0.00 H new ATOM 0 HB3 GLN A 422 91.588 2.839 -1.674 1.00 0.00 H new ATOM 0 HG2 GLN A 422 93.371 2.051 -0.000 1.00 0.00 H new ATOM 0 HG3 GLN A 422 94.259 3.522 -0.346 1.00 0.00 H new ATOM 0 HE21 GLN A 422 93.954 4.521 1.738 1.00 0.00 H new ATOM 0 HE22 GLN A 422 92.358 5.026 2.303 1.00 0.00 H new ATOM 1558 N VAL A 423 92.970 3.547 -4.623 1.00 0.00 N ATOM 1559 CA VAL A 423 92.493 3.804 -5.981 1.00 0.00 C ATOM 1560 C VAL A 423 92.829 2.635 -6.903 1.00 0.00 C ATOM 1561 O VAL A 423 92.177 2.432 -7.927 1.00 0.00 O ATOM 1562 CB VAL A 423 93.133 5.079 -6.525 1.00 0.00 C ATOM 1563 CG1 VAL A 423 92.433 5.491 -7.822 1.00 0.00 C ATOM 1564 CG2 VAL A 423 92.993 6.200 -5.493 1.00 0.00 C ATOM 0 H VAL A 423 93.371 4.359 -4.153 1.00 0.00 H new ATOM 0 HA VAL A 423 91.410 3.924 -5.946 1.00 0.00 H new ATOM 0 HB VAL A 423 94.189 4.897 -6.725 1.00 0.00 H new ATOM 0 HG11 VAL A 423 92.891 6.401 -8.209 1.00 0.00 H new ATOM 0 HG12 VAL A 423 92.532 4.693 -8.558 1.00 0.00 H new ATOM 0 HG13 VAL A 423 91.377 5.672 -7.624 1.00 0.00 H new ATOM 0 HG21 VAL A 423 93.450 7.111 -5.881 1.00 0.00 H new ATOM 0 HG22 VAL A 423 91.937 6.381 -5.293 1.00 0.00 H new ATOM 0 HG23 VAL A 423 93.493 5.909 -4.569 1.00 0.00 H new ATOM 1574 N GLN A 424 93.841 1.861 -6.522 1.00 0.00 N ATOM 1575 CA GLN A 424 94.243 0.708 -7.315 1.00 0.00 C ATOM 1576 C GLN A 424 93.108 -0.311 -7.356 1.00 0.00 C ATOM 1577 O GLN A 424 93.229 -1.371 -7.970 1.00 0.00 O ATOM 1578 CB GLN A 424 95.500 0.067 -6.715 1.00 0.00 C ATOM 1579 CG GLN A 424 96.733 0.902 -7.079 1.00 0.00 C ATOM 1580 CD GLN A 424 97.130 0.646 -8.530 1.00 0.00 C ATOM 1581 OE1 GLN A 424 98.165 1.131 -8.985 1.00 0.00 O ATOM 1582 NE2 GLN A 424 96.365 -0.092 -9.285 1.00 0.00 N ATOM 0 H GLN A 424 94.392 2.010 -5.677 1.00 0.00 H new ATOM 0 HA GLN A 424 94.466 1.036 -8.330 1.00 0.00 H new ATOM 0 HB2 GLN A 424 95.403 -0.001 -5.632 1.00 0.00 H new ATOM 0 HB3 GLN A 424 95.615 -0.950 -7.090 1.00 0.00 H new ATOM 0 HG2 GLN A 424 96.520 1.961 -6.933 1.00 0.00 H new ATOM 0 HG3 GLN A 424 97.561 0.649 -6.417 1.00 0.00 H new ATOM 0 HE21 GLN A 424 95.507 -0.493 -8.905 1.00 0.00 H new ATOM 0 HE22 GLN A 424 96.624 -0.269 -10.256 1.00 0.00 H new