USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=27 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 369 ASN : amide:sc= -1.08 K(o=-1.5,f=-6.5!) USER MOD Set 1.2: A 371 LYS NZ :NH3+ 153:sc= -0.373 (180deg=0) USER MOD Set 2.1: A 353 SER OG : rot -130:sc= 0.17! USER MOD Set 2.2: A 413 LYS NZ :NH3+ 175:sc= 0.0383 (180deg=-0.523) USER MOD Single : A 345 SER OG : rot 19:sc= 0.586 USER MOD Single : A 346 SER OG : rot 180:sc= 0 USER MOD Single : A 347 HIS : no HD1:sc= -0.278 X(o=-0.28,f=-0.02) USER MOD Single : A 348 TYR OH : rot 180:sc= 0 USER MOD Single : A 349 THR OG1 : rot 180:sc= -0.101 USER MOD Single : A 351 GLN :FLIP amide:sc= -0.118 F(o=-1.4!,f=-0.12) USER MOD Single : A 354 SER OG : rot 180:sc= -0.0424 USER MOD Single : A 355 SER OG : rot 6:sc= 0.781 USER MOD Single : A 356 SER OG : rot -65:sc= 1.15 USER MOD Single : A 357 ASN : amide:sc= -2.03 K(o=-2,f=-3.2!) USER MOD Single : A 358 TYR OH : rot -140:sc= -0.706 USER MOD Single : A 360 ASN : amide:sc= -0.0674 K(o=-0.067,f=-2.2!) USER MOD Single : A 362 ASN : amide:sc= -5.54! C(o=-5.5!,f=-7.1!) USER MOD Single : A 366 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.034) USER MOD Single : A 367 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 372 ASN :FLIP amide:sc= -0.724 F(o=-2.8!,f=-0.72) USER MOD Single : A 373 TYR OH : rot 180:sc= 0 USER MOD Single : A 376 TYR OH : rot 180:sc= 0 USER MOD Single : A 378 THR OG1 : rot 93:sc= 0.592 USER MOD Single : A 379 THR OG1 : rot 180:sc= 0 USER MOD Single : A 381 ASN : amide:sc= -0.184 X(o=-0.18,f=-0.64) 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 390 SER OG : rot 180:sc= 0 USER MOD Single : A 393 TYR OH : rot 180:sc= 0 USER MOD Single : A 395 SER OG : rot 180:sc= 0 USER MOD Single : A 396 LYS NZ :NH3+ 133:sc= -3.37! (180deg=-6!) USER MOD Single : A 400 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 401 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 404 SER OG : rot -57:sc= 0.824 USER MOD Single : A 405 THR OG1 : rot -78:sc= 0.343 USER MOD Single : A 411 GLN : amide:sc= -0.0555 X(o=-0.055,f=0) USER MOD Single : A 414 ASN : amide:sc= -5.23! C(o=-5.2!,f=-6.2!) USER MOD Single : A 418 LYS NZ :NH3+ 160:sc= -0.054 (180deg=-0.576) USER MOD Single : A 422 GLN :FLIP amide:sc= -0.27 F(o=-2.6!,f=-0.27) USER MOD Single : A 424 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 321 N SER A 345 104.593 2.176 -6.494 1.00 0.00 N ATOM 322 CA SER A 345 103.535 2.501 -5.545 1.00 0.00 C ATOM 323 C SER A 345 103.980 3.623 -4.612 1.00 0.00 C ATOM 324 O SER A 345 103.268 3.983 -3.675 1.00 0.00 O ATOM 325 CB SER A 345 103.176 1.265 -4.722 1.00 0.00 C ATOM 326 OG SER A 345 102.498 1.668 -3.540 1.00 0.00 O ATOM 0 HA SER A 345 102.660 2.833 -6.104 1.00 0.00 H new ATOM 0 HB2 SER A 345 102.545 0.596 -5.307 1.00 0.00 H new ATOM 0 HB3 SER A 345 104.078 0.710 -4.466 1.00 0.00 H new ATOM 0 HG SER A 345 102.154 2.578 -3.655 1.00 0.00 H new ATOM 332 N SER A 346 105.162 4.171 -4.875 1.00 0.00 N ATOM 333 CA SER A 346 105.695 5.251 -4.052 1.00 0.00 C ATOM 334 C SER A 346 105.058 6.584 -4.436 1.00 0.00 C ATOM 335 O SER A 346 104.929 7.484 -3.607 1.00 0.00 O ATOM 336 CB SER A 346 107.210 5.342 -4.226 1.00 0.00 C ATOM 337 OG SER A 346 107.790 4.072 -3.957 1.00 0.00 O ATOM 0 H SER A 346 105.766 3.887 -5.647 1.00 0.00 H new ATOM 0 HA SER A 346 105.461 5.035 -3.010 1.00 0.00 H new ATOM 0 HB2 SER A 346 107.453 5.658 -5.240 1.00 0.00 H new ATOM 0 HB3 SER A 346 107.621 6.093 -3.551 1.00 0.00 H new ATOM 0 HG SER A 346 108.762 4.126 -4.069 1.00 0.00 H new ATOM 343 N HIS A 347 104.663 6.703 -5.700 1.00 0.00 N ATOM 344 CA HIS A 347 104.041 7.931 -6.183 1.00 0.00 C ATOM 345 C HIS A 347 102.976 8.415 -5.203 1.00 0.00 C ATOM 346 O HIS A 347 101.994 7.719 -4.945 1.00 0.00 O ATOM 347 CB HIS A 347 103.406 7.694 -7.555 1.00 0.00 C ATOM 348 CG HIS A 347 104.485 7.551 -8.594 1.00 0.00 C ATOM 349 ND1 HIS A 347 104.266 7.843 -9.931 1.00 0.00 N ATOM 350 CD2 HIS A 347 105.796 7.150 -8.507 1.00 0.00 C ATOM 351 CE1 HIS A 347 105.417 7.616 -10.589 1.00 0.00 C ATOM 352 NE2 HIS A 347 106.382 7.193 -9.768 1.00 0.00 N ATOM 0 H HIS A 347 104.761 5.971 -6.403 1.00 0.00 H new ATOM 0 HA HIS A 347 104.813 8.695 -6.269 1.00 0.00 H new ATOM 0 HB2 HIS A 347 102.789 6.796 -7.531 1.00 0.00 H new ATOM 0 HB3 HIS A 347 102.749 8.525 -7.811 1.00 0.00 H new ATOM 0 HD2 HIS A 347 106.295 6.848 -7.598 1.00 0.00 H new ATOM 0 HE1 HIS A 347 105.545 7.758 -11.652 1.00 0.00 H new ATOM 0 HE2 HIS A 347 107.343 6.953 -10.013 1.00 0.00 H new ATOM 361 N TYR A 348 103.178 9.616 -4.662 1.00 0.00 N ATOM 362 CA TYR A 348 102.234 10.200 -3.707 1.00 0.00 C ATOM 363 C TYR A 348 101.306 11.186 -4.418 1.00 0.00 C ATOM 364 O TYR A 348 101.660 11.758 -5.448 1.00 0.00 O ATOM 365 CB TYR A 348 103.011 10.925 -2.586 1.00 0.00 C ATOM 366 CG TYR A 348 103.265 9.984 -1.428 1.00 0.00 C ATOM 367 CD1 TYR A 348 102.315 9.864 -0.408 1.00 0.00 C ATOM 368 CD2 TYR A 348 104.448 9.237 -1.373 1.00 0.00 C ATOM 369 CE1 TYR A 348 102.545 8.998 0.666 1.00 0.00 C ATOM 370 CE2 TYR A 348 104.679 8.369 -0.299 1.00 0.00 C ATOM 371 CZ TYR A 348 103.726 8.250 0.721 1.00 0.00 C ATOM 372 OH TYR A 348 103.954 7.396 1.782 1.00 0.00 O ATOM 0 H TYR A 348 103.986 10.204 -4.868 1.00 0.00 H new ATOM 0 HA TYR A 348 101.631 9.403 -3.271 1.00 0.00 H new ATOM 0 HB2 TYR A 348 103.959 11.298 -2.974 1.00 0.00 H new ATOM 0 HB3 TYR A 348 102.444 11.790 -2.242 1.00 0.00 H new ATOM 0 HD1 TYR A 348 101.403 10.441 -0.450 1.00 0.00 H new ATOM 0 HD2 TYR A 348 105.182 9.330 -2.159 1.00 0.00 H new ATOM 0 HE1 TYR A 348 101.811 8.907 1.453 1.00 0.00 H new ATOM 0 HE2 TYR A 348 105.591 7.792 -0.257 1.00 0.00 H new ATOM 0 HH TYR A 348 104.820 6.953 1.665 1.00 0.00 H new ATOM 382 N THR A 349 100.119 11.383 -3.848 1.00 0.00 N ATOM 383 CA THR A 349 99.140 12.304 -4.414 1.00 0.00 C ATOM 384 C THR A 349 98.253 12.862 -3.306 1.00 0.00 C ATOM 385 O THR A 349 98.354 12.440 -2.155 1.00 0.00 O ATOM 386 CB THR A 349 98.276 11.586 -5.455 1.00 0.00 C ATOM 387 OG1 THR A 349 97.453 12.533 -6.120 1.00 0.00 O ATOM 388 CG2 THR A 349 97.398 10.538 -4.767 1.00 0.00 C ATOM 0 H THR A 349 99.813 10.916 -2.994 1.00 0.00 H new ATOM 0 HA THR A 349 99.670 13.124 -4.899 1.00 0.00 H new ATOM 0 HB THR A 349 98.922 11.091 -6.180 1.00 0.00 H new ATOM 0 HG1 THR A 349 96.901 12.075 -6.788 1.00 0.00 H new ATOM 0 HG21 THR A 349 96.786 10.030 -5.512 1.00 0.00 H new ATOM 0 HG22 THR A 349 98.031 9.809 -4.260 1.00 0.00 H new ATOM 0 HG23 THR A 349 96.752 11.027 -4.038 1.00 0.00 H new ATOM 396 N LEU A 350 97.377 13.803 -3.660 1.00 0.00 N ATOM 397 CA LEU A 350 96.464 14.412 -2.686 1.00 0.00 C ATOM 398 C LEU A 350 95.017 14.209 -3.138 1.00 0.00 C ATOM 399 O LEU A 350 94.745 14.011 -4.322 1.00 0.00 O ATOM 400 CB LEU A 350 96.772 15.925 -2.558 1.00 0.00 C ATOM 401 CG LEU A 350 97.683 16.214 -1.343 1.00 0.00 C ATOM 402 CD1 LEU A 350 96.917 15.994 -0.022 1.00 0.00 C ATOM 403 CD2 LEU A 350 98.930 15.309 -1.383 1.00 0.00 C ATOM 0 H LEU A 350 97.279 14.161 -4.610 1.00 0.00 H new ATOM 0 HA LEU A 350 96.603 13.937 -1.715 1.00 0.00 H new ATOM 0 HB2 LEU A 350 97.255 16.278 -3.469 1.00 0.00 H new ATOM 0 HB3 LEU A 350 95.840 16.480 -2.456 1.00 0.00 H new ATOM 0 HG LEU A 350 97.998 17.256 -1.393 1.00 0.00 H new ATOM 0 HD11 LEU A 350 97.577 16.203 0.820 1.00 0.00 H new ATOM 0 HD12 LEU A 350 96.057 16.663 0.016 1.00 0.00 H new ATOM 0 HD13 LEU A 350 96.575 14.960 0.033 1.00 0.00 H new ATOM 0 HD21 LEU A 350 99.563 15.523 -0.522 1.00 0.00 H new ATOM 0 HD22 LEU A 350 98.622 14.264 -1.356 1.00 0.00 H new ATOM 0 HD23 LEU A 350 99.488 15.499 -2.300 1.00 0.00 H new ATOM 415 N GLN A 351 94.094 14.268 -2.181 1.00 0.00 N ATOM 416 CA GLN A 351 92.675 14.100 -2.474 1.00 0.00 C ATOM 417 C GLN A 351 92.034 15.457 -2.742 1.00 0.00 C ATOM 418 O GLN A 351 92.636 16.499 -2.482 1.00 0.00 O ATOM 419 CB GLN A 351 91.981 13.417 -1.289 1.00 0.00 C ATOM 420 CG GLN A 351 90.506 13.157 -1.621 1.00 0.00 C ATOM 421 CD GLN A 351 89.938 12.091 -0.689 1.00 0.00 C ATOM 422 OE1 GLN A 351 89.349 12.453 0.418 1.00 0.00 O flip ATOM 423 NE2 GLN A 351 90.034 10.898 -0.977 1.00 0.00 N flip ATOM 0 H GLN A 351 94.304 14.431 -1.196 1.00 0.00 H new ATOM 0 HA GLN A 351 92.564 13.477 -3.361 1.00 0.00 H new ATOM 0 HB2 GLN A 351 92.481 12.477 -1.057 1.00 0.00 H new ATOM 0 HB3 GLN A 351 92.057 14.045 -0.402 1.00 0.00 H new ATOM 0 HG2 GLN A 351 89.935 14.080 -1.521 1.00 0.00 H new ATOM 0 HG3 GLN A 351 90.410 12.833 -2.657 1.00 0.00 H new ATOM 0 HE21 GLN A 351 90.495 10.618 -1.843 1.00 0.00 H new ATOM 0 HE22 GLN A 351 89.653 10.190 -0.350 1.00 0.00 H new ATOM 432 N LEU A 352 90.810 15.441 -3.264 1.00 0.00 N ATOM 433 CA LEU A 352 90.085 16.677 -3.569 1.00 0.00 C ATOM 434 C LEU A 352 88.917 16.849 -2.602 1.00 0.00 C ATOM 435 O LEU A 352 88.850 17.832 -1.864 1.00 0.00 O ATOM 436 CB LEU A 352 89.568 16.628 -5.017 1.00 0.00 C ATOM 437 CG LEU A 352 90.652 17.117 -5.998 1.00 0.00 C ATOM 438 CD1 LEU A 352 90.864 18.642 -5.868 1.00 0.00 C ATOM 439 CD2 LEU A 352 91.972 16.382 -5.717 1.00 0.00 C ATOM 0 H LEU A 352 90.297 14.587 -3.485 1.00 0.00 H new ATOM 0 HA LEU A 352 90.760 17.526 -3.458 1.00 0.00 H new ATOM 0 HB2 LEU A 352 89.274 15.609 -5.270 1.00 0.00 H new ATOM 0 HB3 LEU A 352 88.677 17.249 -5.112 1.00 0.00 H new ATOM 0 HG LEU A 352 90.322 16.902 -7.014 1.00 0.00 H new ATOM 0 HD11 LEU A 352 91.633 18.964 -6.570 1.00 0.00 H new ATOM 0 HD12 LEU A 352 89.931 19.159 -6.090 1.00 0.00 H new ATOM 0 HD13 LEU A 352 91.178 18.880 -4.852 1.00 0.00 H new ATOM 0 HD21 LEU A 352 92.737 16.729 -6.412 1.00 0.00 H new ATOM 0 HD22 LEU A 352 92.291 16.585 -4.695 1.00 0.00 H new ATOM 0 HD23 LEU A 352 91.826 15.309 -5.845 1.00 0.00 H new ATOM 451 N SER A 353 87.999 15.890 -2.610 1.00 0.00 N ATOM 452 CA SER A 353 86.841 15.958 -1.726 1.00 0.00 C ATOM 453 C SER A 353 86.029 14.667 -1.780 1.00 0.00 C ATOM 454 O SER A 353 86.499 13.647 -2.283 1.00 0.00 O ATOM 455 CB SER A 353 85.953 17.137 -2.121 1.00 0.00 C ATOM 456 OG SER A 353 84.800 17.159 -1.288 1.00 0.00 O ATOM 0 H SER A 353 88.032 15.066 -3.210 1.00 0.00 H new ATOM 0 HA SER A 353 87.203 16.095 -0.707 1.00 0.00 H new ATOM 0 HB2 SER A 353 86.505 18.072 -2.022 1.00 0.00 H new ATOM 0 HB3 SER A 353 85.658 17.050 -3.167 1.00 0.00 H new ATOM 0 HG SER A 353 83.996 17.236 -1.844 1.00 0.00 H new ATOM 462 N SER A 354 84.807 14.723 -1.253 1.00 0.00 N ATOM 463 CA SER A 354 83.924 13.558 -1.237 1.00 0.00 C ATOM 464 C SER A 354 82.467 13.989 -1.389 1.00 0.00 C ATOM 465 O SER A 354 82.102 15.113 -1.042 1.00 0.00 O ATOM 466 CB SER A 354 84.095 12.798 0.079 1.00 0.00 C ATOM 467 OG SER A 354 83.109 11.777 0.163 1.00 0.00 O ATOM 0 H SER A 354 84.406 15.561 -0.832 1.00 0.00 H new ATOM 0 HA SER A 354 84.189 12.910 -2.072 1.00 0.00 H new ATOM 0 HB2 SER A 354 85.092 12.362 0.133 1.00 0.00 H new ATOM 0 HB3 SER A 354 84.000 13.482 0.922 1.00 0.00 H new ATOM 0 HG SER A 354 83.217 11.287 1.005 1.00 0.00 H new ATOM 473 N SER A 355 81.640 13.085 -1.906 1.00 0.00 N ATOM 474 CA SER A 355 80.222 13.373 -2.099 1.00 0.00 C ATOM 475 C SER A 355 79.492 12.123 -2.585 1.00 0.00 C ATOM 476 O SER A 355 80.110 11.083 -2.809 1.00 0.00 O ATOM 477 CB SER A 355 80.047 14.508 -3.115 1.00 0.00 C ATOM 478 OG SER A 355 80.343 15.748 -2.487 1.00 0.00 O ATOM 0 H SER A 355 81.926 12.150 -2.198 1.00 0.00 H new ATOM 0 HA SER A 355 79.796 13.683 -1.145 1.00 0.00 H new ATOM 0 HB2 SER A 355 80.707 14.353 -3.969 1.00 0.00 H new ATOM 0 HB3 SER A 355 79.026 14.515 -3.498 1.00 0.00 H new ATOM 0 HG SER A 355 80.677 15.584 -1.580 1.00 0.00 H new ATOM 484 N SER A 356 78.172 12.228 -2.738 1.00 0.00 N ATOM 485 CA SER A 356 77.360 11.095 -3.192 1.00 0.00 C ATOM 486 C SER A 356 76.418 11.521 -4.313 1.00 0.00 C ATOM 487 O SER A 356 75.259 11.106 -4.357 1.00 0.00 O ATOM 488 CB SER A 356 76.544 10.546 -2.024 1.00 0.00 C ATOM 489 OG SER A 356 75.585 9.619 -2.514 1.00 0.00 O ATOM 0 H SER A 356 77.643 13.081 -2.556 1.00 0.00 H new ATOM 0 HA SER A 356 78.028 10.322 -3.571 1.00 0.00 H new ATOM 0 HB2 SER A 356 77.201 10.060 -1.303 1.00 0.00 H new ATOM 0 HB3 SER A 356 76.044 11.361 -1.500 1.00 0.00 H new ATOM 0 HG SER A 356 74.942 10.086 -3.087 1.00 0.00 H new ATOM 495 N ASN A 357 76.925 12.349 -5.219 1.00 0.00 N ATOM 496 CA ASN A 357 76.124 12.829 -6.342 1.00 0.00 C ATOM 497 C ASN A 357 77.029 13.265 -7.490 1.00 0.00 C ATOM 498 O ASN A 357 77.985 14.013 -7.289 1.00 0.00 O ATOM 499 CB ASN A 357 75.252 14.006 -5.894 1.00 0.00 C ATOM 500 CG ASN A 357 74.089 13.501 -5.046 1.00 0.00 C ATOM 501 OD1 ASN A 357 73.441 12.517 -5.401 1.00 0.00 O ATOM 502 ND2 ASN A 357 73.787 14.120 -3.937 1.00 0.00 N ATOM 0 H ASN A 357 77.882 12.701 -5.200 1.00 0.00 H new ATOM 0 HA ASN A 357 75.484 12.017 -6.687 1.00 0.00 H new ATOM 0 HB2 ASN A 357 75.850 14.715 -5.321 1.00 0.00 H new ATOM 0 HB3 ASN A 357 74.873 14.540 -6.765 1.00 0.00 H new ATOM 0 HD21 ASN A 357 73.012 13.788 -3.362 1.00 0.00 H new ATOM 0 HD22 ASN A 357 74.326 14.935 -3.645 1.00 0.00 H new ATOM 509 N TYR A 358 76.722 12.791 -8.695 1.00 0.00 N ATOM 510 CA TYR A 358 77.515 13.139 -9.872 1.00 0.00 C ATOM 511 C TYR A 358 77.047 14.464 -10.461 1.00 0.00 C ATOM 512 O TYR A 358 77.762 15.465 -10.408 1.00 0.00 O ATOM 513 CB TYR A 358 77.389 12.038 -10.927 1.00 0.00 C ATOM 514 CG TYR A 358 78.365 12.301 -12.049 1.00 0.00 C ATOM 515 CD1 TYR A 358 78.051 13.232 -13.046 1.00 0.00 C ATOM 516 CD2 TYR A 358 79.585 11.616 -12.091 1.00 0.00 C ATOM 517 CE1 TYR A 358 78.956 13.477 -14.086 1.00 0.00 C ATOM 518 CE2 TYR A 358 80.490 11.860 -13.132 1.00 0.00 C ATOM 519 CZ TYR A 358 80.175 12.791 -14.129 1.00 0.00 C ATOM 520 OH TYR A 358 81.067 13.033 -15.154 1.00 0.00 O ATOM 0 H TYR A 358 75.935 12.169 -8.882 1.00 0.00 H new ATOM 0 HA TYR A 358 78.557 13.238 -9.569 1.00 0.00 H new ATOM 0 HB2 TYR A 358 77.588 11.065 -10.478 1.00 0.00 H new ATOM 0 HB3 TYR A 358 76.371 12.007 -11.316 1.00 0.00 H new ATOM 0 HD1 TYR A 358 77.110 13.762 -13.013 1.00 0.00 H new ATOM 0 HD2 TYR A 358 79.829 10.899 -11.321 1.00 0.00 H new ATOM 0 HE1 TYR A 358 78.713 14.195 -14.855 1.00 0.00 H new ATOM 0 HE2 TYR A 358 81.430 11.330 -13.165 1.00 0.00 H new ATOM 0 HH TYR A 358 81.474 12.188 -15.440 1.00 0.00 H new ATOM 530 N ASP A 359 75.843 14.464 -11.025 1.00 0.00 N ATOM 531 CA ASP A 359 75.286 15.672 -11.626 1.00 0.00 C ATOM 532 C ASP A 359 75.508 16.882 -10.722 1.00 0.00 C ATOM 533 O ASP A 359 75.376 18.025 -11.158 1.00 0.00 O ATOM 534 CB ASP A 359 73.787 15.488 -11.871 1.00 0.00 C ATOM 535 CG ASP A 359 73.203 16.746 -12.502 1.00 0.00 C ATOM 536 OD1 ASP A 359 73.633 17.094 -13.590 1.00 0.00 O ATOM 537 OD2 ASP A 359 72.336 17.345 -11.889 1.00 0.00 O ATOM 0 H ASP A 359 75.237 13.646 -11.079 1.00 0.00 H new ATOM 0 HA ASP A 359 75.795 15.846 -12.574 1.00 0.00 H new ATOM 0 HB2 ASP A 359 73.620 14.632 -12.525 1.00 0.00 H new ATOM 0 HB3 ASP A 359 73.280 15.274 -10.930 1.00 0.00 H new ATOM 542 N ASN A 360 75.852 16.624 -9.460 1.00 0.00 N ATOM 543 CA ASN A 360 76.099 17.698 -8.496 1.00 0.00 C ATOM 544 C ASN A 360 77.598 17.920 -8.322 1.00 0.00 C ATOM 545 O ASN A 360 78.043 19.034 -8.048 1.00 0.00 O ATOM 546 CB ASN A 360 75.477 17.336 -7.146 1.00 0.00 C ATOM 547 CG ASN A 360 75.398 18.574 -6.258 1.00 0.00 C ATOM 548 OD1 ASN A 360 75.747 19.673 -6.690 1.00 0.00 O ATOM 549 ND2 ASN A 360 74.958 18.460 -5.035 1.00 0.00 N ATOM 0 H ASN A 360 75.966 15.684 -9.082 1.00 0.00 H new ATOM 0 HA ASN A 360 75.646 18.615 -8.872 1.00 0.00 H new ATOM 0 HB2 ASN A 360 74.480 16.921 -7.295 1.00 0.00 H new ATOM 0 HB3 ASN A 360 76.073 16.565 -6.657 1.00 0.00 H new ATOM 0 HD21 ASN A 360 74.902 19.282 -4.434 1.00 0.00 H new ATOM 0 HD22 ASN A 360 74.670 17.548 -4.680 1.00 0.00 H new ATOM 556 N LEU A 361 78.372 16.851 -8.485 1.00 0.00 N ATOM 557 CA LEU A 361 79.821 16.943 -8.345 1.00 0.00 C ATOM 558 C LEU A 361 80.397 17.848 -9.429 1.00 0.00 C ATOM 559 O LEU A 361 81.139 18.785 -9.138 1.00 0.00 O ATOM 560 CB LEU A 361 80.445 15.544 -8.441 1.00 0.00 C ATOM 561 CG LEU A 361 81.980 15.636 -8.432 1.00 0.00 C ATOM 562 CD1 LEU A 361 82.455 16.443 -7.214 1.00 0.00 C ATOM 563 CD2 LEU A 361 82.574 14.219 -8.383 1.00 0.00 C ATOM 0 H LEU A 361 78.024 15.919 -8.712 1.00 0.00 H new ATOM 0 HA LEU A 361 80.056 17.370 -7.370 1.00 0.00 H new ATOM 0 HB2 LEU A 361 80.107 14.931 -7.606 1.00 0.00 H new ATOM 0 HB3 LEU A 361 80.110 15.052 -9.354 1.00 0.00 H new ATOM 0 HG LEU A 361 82.315 16.141 -9.338 1.00 0.00 H new ATOM 0 HD11 LEU A 361 83.543 16.501 -7.218 1.00 0.00 H new ATOM 0 HD12 LEU A 361 82.037 17.449 -7.259 1.00 0.00 H new ATOM 0 HD13 LEU A 361 82.122 15.952 -6.300 1.00 0.00 H new ATOM 0 HD21 LEU A 361 83.662 14.281 -8.377 1.00 0.00 H new ATOM 0 HD22 LEU A 361 82.234 13.713 -7.480 1.00 0.00 H new ATOM 0 HD23 LEU A 361 82.248 13.657 -9.258 1.00 0.00 H new ATOM 575 N ASN A 362 80.046 17.562 -10.681 1.00 0.00 N ATOM 576 CA ASN A 362 80.532 18.361 -11.803 1.00 0.00 C ATOM 577 C ASN A 362 80.488 19.846 -11.458 1.00 0.00 C ATOM 578 O ASN A 362 81.410 20.597 -11.775 1.00 0.00 O ATOM 579 CB ASN A 362 79.676 18.096 -13.044 1.00 0.00 C ATOM 580 CG ASN A 362 78.268 18.646 -12.835 1.00 0.00 C ATOM 581 OD1 ASN A 362 78.068 19.860 -12.841 1.00 0.00 O ATOM 582 ND2 ASN A 362 77.275 17.819 -12.650 1.00 0.00 N ATOM 0 H ASN A 362 79.433 16.790 -10.943 1.00 0.00 H new ATOM 0 HA ASN A 362 81.564 18.077 -12.009 1.00 0.00 H new ATOM 0 HB2 ASN A 362 80.132 18.563 -13.917 1.00 0.00 H new ATOM 0 HB3 ASN A 362 79.631 17.025 -13.243 1.00 0.00 H new ATOM 0 HD21 ASN A 362 76.331 18.179 -12.510 1.00 0.00 H new ATOM 0 HD22 ASN A 362 77.443 16.813 -12.645 1.00 0.00 H new ATOM 589 N GLY A 363 79.411 20.258 -10.798 1.00 0.00 N ATOM 590 CA GLY A 363 79.256 21.652 -10.406 1.00 0.00 C ATOM 591 C GLY A 363 80.420 22.097 -9.528 1.00 0.00 C ATOM 592 O GLY A 363 81.113 23.064 -9.845 1.00 0.00 O ATOM 0 H GLY A 363 78.638 19.651 -10.525 1.00 0.00 H new ATOM 0 HA2 GLY A 363 79.203 22.281 -11.295 1.00 0.00 H new ATOM 0 HA3 GLY A 363 78.317 21.781 -9.867 1.00 0.00 H new ATOM 596 N TRP A 364 80.632 21.384 -8.425 1.00 0.00 N ATOM 597 CA TRP A 364 81.719 21.719 -7.511 1.00 0.00 C ATOM 598 C TRP A 364 83.063 21.665 -8.229 1.00 0.00 C ATOM 599 O TRP A 364 83.765 22.671 -8.327 1.00 0.00 O ATOM 600 CB TRP A 364 81.737 20.747 -6.329 1.00 0.00 C ATOM 601 CG TRP A 364 82.804 21.166 -5.371 1.00 0.00 C ATOM 602 CD1 TRP A 364 82.776 22.297 -4.629 1.00 0.00 C ATOM 603 CD2 TRP A 364 84.056 20.492 -5.044 1.00 0.00 C ATOM 604 NE1 TRP A 364 83.930 22.361 -3.868 1.00 0.00 N ATOM 605 CE2 TRP A 364 84.750 21.274 -4.089 1.00 0.00 C ATOM 606 CE3 TRP A 364 84.652 19.291 -5.478 1.00 0.00 C ATOM 607 CZ2 TRP A 364 85.990 20.881 -3.584 1.00 0.00 C ATOM 608 CZ3 TRP A 364 85.900 18.895 -4.970 1.00 0.00 C ATOM 609 CH2 TRP A 364 86.567 19.689 -4.027 1.00 0.00 C ATOM 0 H TRP A 364 80.072 20.579 -8.145 1.00 0.00 H new ATOM 0 HA TRP A 364 81.552 22.732 -7.145 1.00 0.00 H new ATOM 0 HB2 TRP A 364 80.767 20.740 -5.832 1.00 0.00 H new ATOM 0 HB3 TRP A 364 81.923 19.732 -6.679 1.00 0.00 H new ATOM 0 HD1 TRP A 364 81.983 23.030 -4.630 1.00 0.00 H new ATOM 0 HE1 TRP A 364 84.148 23.120 -3.222 1.00 0.00 H new ATOM 0 HE3 TRP A 364 84.147 18.672 -6.205 1.00 0.00 H new ATOM 0 HZ2 TRP A 364 86.500 21.494 -2.856 1.00 0.00 H new ATOM 0 HZ3 TRP A 364 86.349 17.973 -5.308 1.00 0.00 H new ATOM 0 HH2 TRP A 364 87.528 19.379 -3.643 1.00 0.00 H new ATOM 620 N ALA A 365 83.418 20.483 -8.726 1.00 0.00 N ATOM 621 CA ALA A 365 84.684 20.307 -9.432 1.00 0.00 C ATOM 622 C ALA A 365 84.941 21.479 -10.374 1.00 0.00 C ATOM 623 O ALA A 365 86.054 22.001 -10.443 1.00 0.00 O ATOM 624 CB ALA A 365 84.660 19.003 -10.230 1.00 0.00 C ATOM 0 H ALA A 365 82.851 19.638 -8.654 1.00 0.00 H new ATOM 0 HA ALA A 365 85.486 20.267 -8.695 1.00 0.00 H new ATOM 0 HB1 ALA A 365 85.608 18.879 -10.754 1.00 0.00 H new ATOM 0 HB2 ALA A 365 84.508 18.164 -9.551 1.00 0.00 H new ATOM 0 HB3 ALA A 365 83.847 19.035 -10.955 1.00 0.00 H new ATOM 630 N LYS A 366 83.903 21.889 -11.094 1.00 0.00 N ATOM 631 CA LYS A 366 84.025 23.004 -12.025 1.00 0.00 C ATOM 632 C LYS A 366 84.054 24.328 -11.268 1.00 0.00 C ATOM 633 O LYS A 366 84.739 25.270 -11.668 1.00 0.00 O ATOM 634 CB LYS A 366 82.850 22.999 -13.005 1.00 0.00 C ATOM 635 CG LYS A 366 83.012 21.842 -13.992 1.00 0.00 C ATOM 636 CD LYS A 366 81.729 21.686 -14.811 1.00 0.00 C ATOM 637 CE LYS A 366 81.859 20.478 -15.740 1.00 0.00 C ATOM 638 NZ LYS A 366 80.520 20.135 -16.298 1.00 0.00 N ATOM 0 H LYS A 366 82.974 21.470 -11.052 1.00 0.00 H new ATOM 0 HA LYS A 366 84.957 22.892 -12.579 1.00 0.00 H new ATOM 0 HB2 LYS A 366 81.910 22.898 -12.462 1.00 0.00 H new ATOM 0 HB3 LYS A 366 82.807 23.946 -13.543 1.00 0.00 H new ATOM 0 HG2 LYS A 366 83.858 22.030 -14.654 1.00 0.00 H new ATOM 0 HG3 LYS A 366 83.227 20.919 -13.454 1.00 0.00 H new ATOM 0 HD2 LYS A 366 80.875 21.557 -14.147 1.00 0.00 H new ATOM 0 HD3 LYS A 366 81.546 22.588 -15.394 1.00 0.00 H new ATOM 0 HE2 LYS A 366 82.556 20.700 -16.548 1.00 0.00 H new ATOM 0 HE3 LYS A 366 82.266 19.627 -15.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 366 80.592 19.264 -16.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 366 79.846 19.989 -15.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 366 80.186 20.912 -16.903 1.00 0.00 H new ATOM 652 N LYS A 367 83.304 24.391 -10.172 1.00 0.00 N ATOM 653 CA LYS A 367 83.246 25.604 -9.363 1.00 0.00 C ATOM 654 C LYS A 367 84.652 26.066 -8.990 1.00 0.00 C ATOM 655 O LYS A 367 85.103 27.127 -9.425 1.00 0.00 O ATOM 656 CB LYS A 367 82.440 25.341 -8.085 1.00 0.00 C ATOM 657 CG LYS A 367 82.112 26.671 -7.377 1.00 0.00 C ATOM 658 CD LYS A 367 80.829 27.283 -7.958 1.00 0.00 C ATOM 659 CE LYS A 367 80.442 28.524 -7.152 1.00 0.00 C ATOM 660 NZ LYS A 367 79.038 28.906 -7.472 1.00 0.00 N ATOM 0 H LYS A 367 82.731 23.622 -9.825 1.00 0.00 H new ATOM 0 HA LYS A 367 82.760 26.385 -9.947 1.00 0.00 H new ATOM 0 HB2 LYS A 367 81.518 24.814 -8.330 1.00 0.00 H new ATOM 0 HB3 LYS A 367 83.007 24.695 -7.415 1.00 0.00 H new ATOM 0 HG2 LYS A 367 81.990 26.501 -6.307 1.00 0.00 H new ATOM 0 HG3 LYS A 367 82.941 27.368 -7.496 1.00 0.00 H new ATOM 0 HD2 LYS A 367 80.982 27.549 -9.004 1.00 0.00 H new ATOM 0 HD3 LYS A 367 80.021 26.552 -7.930 1.00 0.00 H new ATOM 0 HE2 LYS A 367 80.541 28.324 -6.085 1.00 0.00 H new ATOM 0 HE3 LYS A 367 81.117 29.348 -7.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 367 78.774 29.750 -6.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 367 78.958 29.114 -8.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 367 78.400 28.122 -7.228 1.00 0.00 H new ATOM 674 N GLU A 368 85.339 25.266 -8.182 1.00 0.00 N ATOM 675 CA GLU A 368 86.693 25.605 -7.758 1.00 0.00 C ATOM 676 C GLU A 368 87.662 25.495 -8.930 1.00 0.00 C ATOM 677 O GLU A 368 88.820 25.903 -8.832 1.00 0.00 O ATOM 678 CB GLU A 368 87.140 24.668 -6.633 1.00 0.00 C ATOM 679 CG GLU A 368 86.318 24.950 -5.373 1.00 0.00 C ATOM 680 CD GLU A 368 84.871 24.518 -5.587 1.00 0.00 C ATOM 681 OE1 GLU A 368 84.668 23.434 -6.106 1.00 0.00 O ATOM 682 OE2 GLU A 368 83.988 25.278 -5.226 1.00 0.00 O ATOM 0 H GLU A 368 84.985 24.385 -7.810 1.00 0.00 H new ATOM 0 HA GLU A 368 86.694 26.633 -7.394 1.00 0.00 H new ATOM 0 HB2 GLU A 368 87.012 23.630 -6.938 1.00 0.00 H new ATOM 0 HB3 GLU A 368 88.201 24.811 -6.427 1.00 0.00 H new ATOM 0 HG2 GLU A 368 86.744 24.416 -4.524 1.00 0.00 H new ATOM 0 HG3 GLU A 368 86.357 26.013 -5.133 1.00 0.00 H new ATOM 689 N ASN A 369 87.181 24.940 -10.037 1.00 0.00 N ATOM 690 CA ASN A 369 88.014 24.781 -11.224 1.00 0.00 C ATOM 691 C ASN A 369 89.241 23.932 -10.909 1.00 0.00 C ATOM 692 O ASN A 369 90.376 24.371 -11.097 1.00 0.00 O ATOM 693 CB ASN A 369 88.457 26.152 -11.738 1.00 0.00 C ATOM 694 CG ASN A 369 89.060 26.015 -13.133 1.00 0.00 C ATOM 695 OD1 ASN A 369 89.539 24.942 -13.501 1.00 0.00 O ATOM 696 ND2 ASN A 369 89.065 27.044 -13.936 1.00 0.00 N ATOM 0 H ASN A 369 86.226 24.595 -10.138 1.00 0.00 H new ATOM 0 HA ASN A 369 87.427 24.278 -11.992 1.00 0.00 H new ATOM 0 HB2 ASN A 369 87.605 26.832 -11.766 1.00 0.00 H new ATOM 0 HB3 ASN A 369 89.189 26.586 -11.057 1.00 0.00 H new ATOM 0 HD21 ASN A 369 89.466 26.960 -14.870 1.00 0.00 H new ATOM 0 HD22 ASN A 369 88.668 27.932 -13.629 1.00 0.00 H new ATOM 703 N LEU A 370 89.007 22.714 -10.433 1.00 0.00 N ATOM 704 CA LEU A 370 90.104 21.812 -10.100 1.00 0.00 C ATOM 705 C LEU A 370 90.930 21.508 -11.346 1.00 0.00 C ATOM 706 O LEU A 370 90.412 20.984 -12.331 1.00 0.00 O ATOM 707 CB LEU A 370 89.559 20.503 -9.519 1.00 0.00 C ATOM 708 CG LEU A 370 88.505 20.802 -8.447 1.00 0.00 C ATOM 709 CD1 LEU A 370 87.911 19.484 -7.940 1.00 0.00 C ATOM 710 CD2 LEU A 370 89.156 21.555 -7.279 1.00 0.00 C ATOM 0 H LEU A 370 88.076 22.331 -10.270 1.00 0.00 H new ATOM 0 HA LEU A 370 90.736 22.298 -9.357 1.00 0.00 H new ATOM 0 HB2 LEU A 370 89.120 19.898 -10.313 1.00 0.00 H new ATOM 0 HB3 LEU A 370 90.373 19.921 -9.087 1.00 0.00 H new ATOM 0 HG LEU A 370 87.715 21.418 -8.876 1.00 0.00 H new ATOM 0 HD11 LEU A 370 87.161 19.693 -7.177 1.00 0.00 H new ATOM 0 HD12 LEU A 370 87.446 18.951 -8.770 1.00 0.00 H new ATOM 0 HD13 LEU A 370 88.703 18.869 -7.512 1.00 0.00 H new ATOM 0 HD21 LEU A 370 88.404 21.766 -6.518 1.00 0.00 H new ATOM 0 HD22 LEU A 370 89.947 20.942 -6.847 1.00 0.00 H new ATOM 0 HD23 LEU A 370 89.579 22.492 -7.641 1.00 0.00 H new ATOM 722 N LYS A 371 92.218 21.841 -11.298 1.00 0.00 N ATOM 723 CA LYS A 371 93.104 21.598 -12.433 1.00 0.00 C ATOM 724 C LYS A 371 93.576 20.149 -12.441 1.00 0.00 C ATOM 725 O LYS A 371 93.802 19.552 -11.389 1.00 0.00 O ATOM 726 CB LYS A 371 94.318 22.528 -12.359 1.00 0.00 C ATOM 727 CG LYS A 371 93.863 23.952 -12.026 1.00 0.00 C ATOM 728 CD LYS A 371 92.917 24.463 -13.119 1.00 0.00 C ATOM 729 CE LYS A 371 92.799 25.987 -13.027 1.00 0.00 C ATOM 730 NZ LYS A 371 91.950 26.487 -14.146 1.00 0.00 N ATOM 0 H LYS A 371 92.668 22.276 -10.493 1.00 0.00 H new ATOM 0 HA LYS A 371 92.550 21.796 -13.350 1.00 0.00 H new ATOM 0 HB2 LYS A 371 95.014 22.172 -11.599 1.00 0.00 H new ATOM 0 HB3 LYS A 371 94.852 22.520 -13.309 1.00 0.00 H new ATOM 0 HG2 LYS A 371 93.359 23.966 -11.060 1.00 0.00 H new ATOM 0 HG3 LYS A 371 94.728 24.610 -11.944 1.00 0.00 H new ATOM 0 HD2 LYS A 371 93.292 24.176 -14.101 1.00 0.00 H new ATOM 0 HD3 LYS A 371 91.934 24.005 -13.007 1.00 0.00 H new ATOM 0 HE2 LYS A 371 92.363 26.272 -12.070 1.00 0.00 H new ATOM 0 HE3 LYS A 371 93.788 26.443 -13.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 371 91.494 27.378 -13.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 371 92.542 26.651 -14.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 371 91.220 25.781 -14.370 1.00 0.00 H new ATOM 744 N ASN A 372 93.724 19.588 -13.637 1.00 0.00 N ATOM 745 CA ASN A 372 94.170 18.206 -13.771 1.00 0.00 C ATOM 746 C ASN A 372 93.329 17.287 -12.891 1.00 0.00 C ATOM 747 O ASN A 372 93.655 17.058 -11.726 1.00 0.00 O ATOM 748 CB ASN A 372 95.642 18.091 -13.371 1.00 0.00 C ATOM 749 CG ASN A 372 96.187 16.726 -13.777 1.00 0.00 C ATOM 750 OD1 ASN A 372 95.558 15.646 -13.402 1.00 0.00 O flip ATOM 751 ND2 ASN A 372 97.212 16.641 -14.453 1.00 0.00 N flip ATOM 0 H ASN A 372 93.543 20.065 -14.521 1.00 0.00 H new ATOM 0 HA ASN A 372 94.052 17.904 -14.812 1.00 0.00 H new ATOM 0 HB2 ASN A 372 96.221 18.880 -13.851 1.00 0.00 H new ATOM 0 HB3 ASN A 372 95.747 18.228 -12.295 1.00 0.00 H new ATOM 0 HD21 ASN A 372 97.702 17.487 -14.745 1.00 0.00 H new ATOM 0 HD22 ASN A 372 97.571 15.725 -14.721 1.00 0.00 H new ATOM 758 N TYR A 373 92.246 16.764 -13.457 1.00 0.00 N ATOM 759 CA TYR A 373 91.364 15.869 -12.716 1.00 0.00 C ATOM 760 C TYR A 373 90.539 15.018 -13.676 1.00 0.00 C ATOM 761 O TYR A 373 90.346 15.382 -14.835 1.00 0.00 O ATOM 762 CB TYR A 373 90.432 16.684 -11.815 1.00 0.00 C ATOM 763 CG TYR A 373 89.470 17.481 -12.669 1.00 0.00 C ATOM 764 CD1 TYR A 373 89.932 18.584 -13.398 1.00 0.00 C ATOM 765 CD2 TYR A 373 88.119 17.118 -12.732 1.00 0.00 C ATOM 766 CE1 TYR A 373 89.045 19.322 -14.189 1.00 0.00 C ATOM 767 CE2 TYR A 373 87.232 17.856 -13.525 1.00 0.00 C ATOM 768 CZ TYR A 373 87.694 18.958 -14.253 1.00 0.00 C ATOM 769 OH TYR A 373 86.820 19.686 -15.033 1.00 0.00 O ATOM 0 H TYR A 373 91.959 16.943 -14.419 1.00 0.00 H new ATOM 0 HA TYR A 373 91.975 15.209 -12.100 1.00 0.00 H new ATOM 0 HB2 TYR A 373 89.880 16.020 -11.150 1.00 0.00 H new ATOM 0 HB3 TYR A 373 91.015 17.354 -11.183 1.00 0.00 H new ATOM 0 HD1 TYR A 373 90.974 18.865 -13.349 1.00 0.00 H new ATOM 0 HD2 TYR A 373 87.761 16.269 -12.169 1.00 0.00 H new ATOM 0 HE1 TYR A 373 89.402 20.173 -14.750 1.00 0.00 H new ATOM 0 HE2 TYR A 373 86.191 17.575 -13.575 1.00 0.00 H new ATOM 0 HH TYR A 373 85.922 19.299 -14.966 1.00 0.00 H new ATOM 779 N VAL A 374 90.054 13.880 -13.183 1.00 0.00 N ATOM 780 CA VAL A 374 89.247 12.972 -14.002 1.00 0.00 C ATOM 781 C VAL A 374 88.106 12.380 -13.181 1.00 0.00 C ATOM 782 O VAL A 374 88.302 11.958 -12.042 1.00 0.00 O ATOM 783 CB VAL A 374 90.125 11.841 -14.542 1.00 0.00 C ATOM 784 CG1 VAL A 374 89.373 11.089 -15.640 1.00 0.00 C ATOM 785 CG2 VAL A 374 91.414 12.430 -15.119 1.00 0.00 C ATOM 0 H VAL A 374 90.204 13.564 -12.225 1.00 0.00 H new ATOM 0 HA VAL A 374 88.827 13.538 -14.833 1.00 0.00 H new ATOM 0 HB VAL A 374 90.368 11.152 -13.733 1.00 0.00 H new ATOM 0 HG11 VAL A 374 89.999 10.284 -16.024 1.00 0.00 H new ATOM 0 HG12 VAL A 374 88.454 10.670 -15.230 1.00 0.00 H new ATOM 0 HG13 VAL A 374 89.129 11.776 -16.450 1.00 0.00 H new ATOM 0 HG21 VAL A 374 92.041 11.626 -15.504 1.00 0.00 H new ATOM 0 HG22 VAL A 374 91.169 13.119 -15.928 1.00 0.00 H new ATOM 0 HG23 VAL A 374 91.951 12.966 -14.337 1.00 0.00 H new ATOM 795 N VAL A 375 86.910 12.355 -13.770 1.00 0.00 N ATOM 796 CA VAL A 375 85.730 11.813 -13.091 1.00 0.00 C ATOM 797 C VAL A 375 85.501 10.358 -13.493 1.00 0.00 C ATOM 798 O VAL A 375 85.388 10.039 -14.677 1.00 0.00 O ATOM 799 CB VAL A 375 84.493 12.648 -13.448 1.00 0.00 C ATOM 800 CG1 VAL A 375 84.730 14.108 -13.046 1.00 0.00 C ATOM 801 CG2 VAL A 375 84.229 12.567 -14.958 1.00 0.00 C ATOM 0 H VAL A 375 86.732 12.702 -14.712 1.00 0.00 H new ATOM 0 HA VAL A 375 85.899 11.857 -12.015 1.00 0.00 H new ATOM 0 HB VAL A 375 83.628 12.258 -12.912 1.00 0.00 H new ATOM 0 HG11 VAL A 375 83.852 14.702 -13.299 1.00 0.00 H new ATOM 0 HG12 VAL A 375 84.910 14.165 -11.972 1.00 0.00 H new ATOM 0 HG13 VAL A 375 85.597 14.496 -13.580 1.00 0.00 H new ATOM 0 HG21 VAL A 375 83.350 13.162 -15.206 1.00 0.00 H new ATOM 0 HG22 VAL A 375 85.093 12.953 -15.500 1.00 0.00 H new ATOM 0 HG23 VAL A 375 84.057 11.529 -15.242 1.00 0.00 H new ATOM 811 N TYR A 376 85.441 9.475 -12.498 1.00 0.00 N ATOM 812 CA TYR A 376 85.231 8.050 -12.753 1.00 0.00 C ATOM 813 C TYR A 376 84.584 7.381 -11.543 1.00 0.00 C ATOM 814 O TYR A 376 84.401 8.009 -10.504 1.00 0.00 O ATOM 815 CB TYR A 376 86.568 7.372 -13.061 1.00 0.00 C ATOM 816 CG TYR A 376 87.556 7.677 -11.957 1.00 0.00 C ATOM 817 CD1 TYR A 376 88.118 8.954 -11.857 1.00 0.00 C ATOM 818 CD2 TYR A 376 87.909 6.684 -11.034 1.00 0.00 C ATOM 819 CE1 TYR A 376 89.034 9.240 -10.836 1.00 0.00 C ATOM 820 CE2 TYR A 376 88.823 6.969 -10.013 1.00 0.00 C ATOM 821 CZ TYR A 376 89.386 8.247 -9.914 1.00 0.00 C ATOM 822 OH TYR A 376 90.287 8.528 -8.908 1.00 0.00 O ATOM 0 H TYR A 376 85.534 9.719 -11.512 1.00 0.00 H new ATOM 0 HA TYR A 376 84.566 7.946 -13.611 1.00 0.00 H new ATOM 0 HB2 TYR A 376 86.429 6.295 -13.151 1.00 0.00 H new ATOM 0 HB3 TYR A 376 86.955 7.725 -14.017 1.00 0.00 H new ATOM 0 HD1 TYR A 376 87.846 9.720 -12.568 1.00 0.00 H new ATOM 0 HD2 TYR A 376 87.476 5.698 -11.110 1.00 0.00 H new ATOM 0 HE1 TYR A 376 89.468 10.226 -10.760 1.00 0.00 H new ATOM 0 HE2 TYR A 376 89.094 6.203 -9.302 1.00 0.00 H new ATOM 0 HH TYR A 376 90.420 7.730 -8.355 1.00 0.00 H new ATOM 832 N GLU A 377 84.241 6.103 -11.686 1.00 0.00 N ATOM 833 CA GLU A 377 83.614 5.361 -10.594 1.00 0.00 C ATOM 834 C GLU A 377 84.669 4.852 -9.615 1.00 0.00 C ATOM 835 O GLU A 377 85.781 4.508 -10.012 1.00 0.00 O ATOM 836 CB GLU A 377 82.824 4.176 -11.154 1.00 0.00 C ATOM 837 CG GLU A 377 83.687 3.415 -12.161 1.00 0.00 C ATOM 838 CD GLU A 377 83.039 2.077 -12.497 1.00 0.00 C ATOM 839 OE1 GLU A 377 81.820 2.022 -12.523 1.00 0.00 O ATOM 840 OE2 GLU A 377 83.770 1.127 -12.725 1.00 0.00 O ATOM 0 H GLU A 377 84.385 5.563 -12.539 1.00 0.00 H new ATOM 0 HA GLU A 377 82.938 6.033 -10.066 1.00 0.00 H new ATOM 0 HB2 GLU A 377 82.521 3.512 -10.344 1.00 0.00 H new ATOM 0 HB3 GLU A 377 81.912 4.529 -11.635 1.00 0.00 H new ATOM 0 HG2 GLU A 377 83.809 4.007 -13.068 1.00 0.00 H new ATOM 0 HG3 GLU A 377 84.683 3.253 -11.749 1.00 0.00 H new ATOM 847 N THR A 378 84.316 4.811 -8.330 1.00 0.00 N ATOM 848 CA THR A 378 85.246 4.347 -7.298 1.00 0.00 C ATOM 849 C THR A 378 84.484 3.658 -6.166 1.00 0.00 C ATOM 850 O THR A 378 83.308 3.328 -6.306 1.00 0.00 O ATOM 851 CB THR A 378 86.047 5.546 -6.740 1.00 0.00 C ATOM 852 OG1 THR A 378 86.050 6.591 -7.702 1.00 0.00 O ATOM 853 CG2 THR A 378 87.492 5.138 -6.436 1.00 0.00 C ATOM 0 H THR A 378 83.400 5.091 -7.980 1.00 0.00 H new ATOM 0 HA THR A 378 85.935 3.629 -7.742 1.00 0.00 H new ATOM 0 HB THR A 378 85.577 5.883 -5.816 1.00 0.00 H new ATOM 0 HG1 THR A 378 85.304 7.202 -7.524 1.00 0.00 H new ATOM 0 HG21 THR A 378 88.038 5.996 -6.044 1.00 0.00 H new ATOM 0 HG22 THR A 378 87.496 4.337 -5.696 1.00 0.00 H new ATOM 0 HG23 THR A 378 87.972 4.789 -7.351 1.00 0.00 H new ATOM 861 N THR A 379 85.172 3.452 -5.042 1.00 0.00 N ATOM 862 CA THR A 379 84.570 2.810 -3.872 1.00 0.00 C ATOM 863 C THR A 379 84.893 3.604 -2.612 1.00 0.00 C ATOM 864 O THR A 379 85.972 4.187 -2.493 1.00 0.00 O ATOM 865 CB THR A 379 85.099 1.381 -3.729 1.00 0.00 C ATOM 866 OG1 THR A 379 86.512 1.413 -3.580 1.00 0.00 O ATOM 867 CG2 THR A 379 84.732 0.572 -4.974 1.00 0.00 C ATOM 0 H THR A 379 86.148 3.721 -4.917 1.00 0.00 H new ATOM 0 HA THR A 379 83.489 2.781 -4.007 1.00 0.00 H new ATOM 0 HB THR A 379 84.652 0.914 -2.851 1.00 0.00 H new ATOM 0 HG1 THR A 379 86.852 0.499 -3.487 1.00 0.00 H new ATOM 0 HG21 THR A 379 85.109 -0.445 -4.871 1.00 0.00 H new ATOM 0 HG22 THR A 379 83.648 0.548 -5.086 1.00 0.00 H new ATOM 0 HG23 THR A 379 85.177 1.037 -5.854 1.00 0.00 H new ATOM 875 N ARG A 380 83.952 3.626 -1.676 1.00 0.00 N ATOM 876 CA ARG A 380 84.145 4.356 -0.428 1.00 0.00 C ATOM 877 C ARG A 380 83.092 3.948 0.598 1.00 0.00 C ATOM 878 O ARG A 380 82.005 4.521 0.644 1.00 0.00 O ATOM 879 CB ARG A 380 84.051 5.861 -0.687 1.00 0.00 C ATOM 880 CG ARG A 380 84.567 6.623 0.534 1.00 0.00 C ATOM 881 CD ARG A 380 84.484 8.128 0.271 1.00 0.00 C ATOM 882 NE ARG A 380 84.770 8.870 1.493 1.00 0.00 N ATOM 883 CZ ARG A 380 83.910 8.885 2.505 1.00 0.00 C ATOM 884 NH1 ARG A 380 82.785 8.229 2.415 1.00 0.00 N ATOM 885 NH2 ARG A 380 84.189 9.555 3.589 1.00 0.00 N ATOM 0 H ARG A 380 83.053 3.150 -1.756 1.00 0.00 H new ATOM 0 HA ARG A 380 85.132 4.115 -0.034 1.00 0.00 H new ATOM 0 HB2 ARG A 380 84.636 6.126 -1.568 1.00 0.00 H new ATOM 0 HB3 ARG A 380 83.018 6.141 -0.894 1.00 0.00 H new ATOM 0 HG2 ARG A 380 83.977 6.364 1.413 1.00 0.00 H new ATOM 0 HG3 ARG A 380 85.597 6.337 0.746 1.00 0.00 H new ATOM 0 HD2 ARG A 380 85.194 8.408 -0.507 1.00 0.00 H new ATOM 0 HD3 ARG A 380 83.490 8.386 -0.096 1.00 0.00 H new ATOM 0 HE ARG A 380 85.646 9.387 1.572 1.00 0.00 H new ATOM 0 HH11 ARG A 380 82.567 7.705 1.568 1.00 0.00 H new ATOM 0 HH12 ARG A 380 82.124 8.240 3.192 1.00 0.00 H new ATOM 0 HH21 ARG A 380 85.068 10.068 3.660 1.00 0.00 H new ATOM 0 HH22 ARG A 380 83.528 9.566 4.366 1.00 0.00 H new ATOM 899 N ASN A 381 83.420 2.952 1.415 1.00 0.00 N ATOM 900 CA ASN A 381 82.491 2.474 2.432 1.00 0.00 C ATOM 901 C ASN A 381 81.219 1.934 1.784 1.00 0.00 C ATOM 902 O ASN A 381 80.171 2.578 1.825 1.00 0.00 O ATOM 903 CB ASN A 381 82.136 3.611 3.393 1.00 0.00 C ATOM 904 CG ASN A 381 83.394 4.389 3.767 1.00 0.00 C ATOM 905 OD1 ASN A 381 84.474 3.810 3.874 1.00 0.00 O ATOM 906 ND2 ASN A 381 83.318 5.675 3.974 1.00 0.00 N ATOM 0 H ASN A 381 84.315 2.464 1.393 1.00 0.00 H new ATOM 0 HA ASN A 381 82.972 1.669 2.987 1.00 0.00 H new ATOM 0 HB2 ASN A 381 81.410 4.278 2.928 1.00 0.00 H new ATOM 0 HB3 ASN A 381 81.668 3.207 4.291 1.00 0.00 H new ATOM 0 HD21 ASN A 381 84.155 6.202 4.225 1.00 0.00 H new ATOM 0 HD22 ASN A 381 82.422 6.154 3.885 1.00 0.00 H new ATOM 913 N GLY A 382 81.326 0.743 1.193 1.00 0.00 N ATOM 914 CA GLY A 382 80.187 0.099 0.535 1.00 0.00 C ATOM 915 C GLY A 382 79.264 1.122 -0.124 1.00 0.00 C ATOM 916 O GLY A 382 78.044 0.955 -0.138 1.00 0.00 O ATOM 0 H GLY A 382 82.191 0.204 1.156 1.00 0.00 H new ATOM 0 HA2 GLY A 382 80.550 -0.602 -0.217 1.00 0.00 H new ATOM 0 HA3 GLY A 382 79.624 -0.481 1.266 1.00 0.00 H new ATOM 920 N GLN A 383 79.856 2.186 -0.663 1.00 0.00 N ATOM 921 CA GLN A 383 79.086 3.245 -1.316 1.00 0.00 C ATOM 922 C GLN A 383 79.904 3.874 -2.451 1.00 0.00 C ATOM 923 O GLN A 383 80.710 4.771 -2.204 1.00 0.00 O ATOM 924 CB GLN A 383 78.734 4.330 -0.291 1.00 0.00 C ATOM 925 CG GLN A 383 77.610 3.837 0.625 1.00 0.00 C ATOM 926 CD GLN A 383 77.242 4.924 1.629 1.00 0.00 C ATOM 927 OE1 GLN A 383 76.639 5.932 1.261 1.00 0.00 O ATOM 928 NE2 GLN A 383 77.570 4.778 2.884 1.00 0.00 N ATOM 0 H GLN A 383 80.865 2.338 -0.661 1.00 0.00 H new ATOM 0 HA GLN A 383 78.174 2.812 -1.728 1.00 0.00 H new ATOM 0 HB2 GLN A 383 79.614 4.582 0.301 1.00 0.00 H new ATOM 0 HB3 GLN A 383 78.424 5.240 -0.804 1.00 0.00 H new ATOM 0 HG2 GLN A 383 76.737 3.568 0.031 1.00 0.00 H new ATOM 0 HG3 GLN A 383 77.927 2.936 1.151 1.00 0.00 H new ATOM 0 HE21 GLN A 383 78.070 3.942 3.187 1.00 0.00 H new ATOM 0 HE22 GLN A 383 77.327 5.500 3.562 1.00 0.00 H new ATOM 937 N PRO A 384 79.732 3.435 -3.681 1.00 0.00 N ATOM 938 CA PRO A 384 80.497 3.993 -4.835 1.00 0.00 C ATOM 939 C PRO A 384 80.582 5.517 -4.791 1.00 0.00 C ATOM 940 O PRO A 384 79.615 6.193 -4.439 1.00 0.00 O ATOM 941 CB PRO A 384 79.705 3.505 -6.051 1.00 0.00 C ATOM 942 CG PRO A 384 79.112 2.207 -5.611 1.00 0.00 C ATOM 943 CD PRO A 384 78.803 2.370 -4.117 1.00 0.00 C ATOM 0 HA PRO A 384 81.537 3.667 -4.843 1.00 0.00 H new ATOM 0 HB2 PRO A 384 78.932 4.219 -6.335 1.00 0.00 H new ATOM 0 HB3 PRO A 384 80.351 3.373 -6.919 1.00 0.00 H new ATOM 0 HG2 PRO A 384 78.207 1.980 -6.174 1.00 0.00 H new ATOM 0 HG3 PRO A 384 79.806 1.384 -5.779 1.00 0.00 H new ATOM 0 HD2 PRO A 384 77.763 2.653 -3.952 1.00 0.00 H new ATOM 0 HD3 PRO A 384 78.972 1.443 -3.570 1.00 0.00 H new ATOM 951 N TRP A 385 81.753 6.052 -5.140 1.00 0.00 N ATOM 952 CA TRP A 385 81.965 7.499 -5.127 1.00 0.00 C ATOM 953 C TRP A 385 82.942 7.912 -6.225 1.00 0.00 C ATOM 954 O TRP A 385 83.855 7.171 -6.569 1.00 0.00 O ATOM 955 CB TRP A 385 82.492 7.921 -3.735 1.00 0.00 C ATOM 956 CG TRP A 385 83.288 9.192 -3.819 1.00 0.00 C ATOM 957 CD1 TRP A 385 84.572 9.325 -3.416 1.00 0.00 C ATOM 958 CD2 TRP A 385 82.883 10.494 -4.335 1.00 0.00 C ATOM 959 NE1 TRP A 385 84.982 10.626 -3.648 1.00 0.00 N ATOM 960 CE2 TRP A 385 83.976 11.386 -4.215 1.00 0.00 C ATOM 961 CE3 TRP A 385 81.687 10.981 -4.890 1.00 0.00 C ATOM 962 CZ2 TRP A 385 83.884 12.716 -4.631 1.00 0.00 C ATOM 963 CZ3 TRP A 385 81.591 12.318 -5.307 1.00 0.00 C ATOM 964 CH2 TRP A 385 82.688 13.184 -5.178 1.00 0.00 C ATOM 0 H TRP A 385 82.565 5.508 -5.433 1.00 0.00 H new ATOM 0 HA TRP A 385 81.019 8.004 -5.321 1.00 0.00 H new ATOM 0 HB2 TRP A 385 81.654 8.058 -3.052 1.00 0.00 H new ATOM 0 HB3 TRP A 385 83.113 7.126 -3.322 1.00 0.00 H new ATOM 0 HD1 TRP A 385 85.179 8.543 -2.984 1.00 0.00 H new ATOM 0 HE1 TRP A 385 85.913 10.981 -3.428 1.00 0.00 H new ATOM 0 HE3 TRP A 385 80.837 10.323 -4.996 1.00 0.00 H new ATOM 0 HZ2 TRP A 385 84.732 13.377 -4.530 1.00 0.00 H new ATOM 0 HZ3 TRP A 385 80.667 12.683 -5.730 1.00 0.00 H new ATOM 0 HH2 TRP A 385 82.607 14.211 -5.502 1.00 0.00 H new ATOM 975 N TYR A 386 82.736 9.107 -6.772 1.00 0.00 N ATOM 976 CA TYR A 386 83.605 9.622 -7.827 1.00 0.00 C ATOM 977 C TYR A 386 84.672 10.531 -7.229 1.00 0.00 C ATOM 978 O TYR A 386 84.522 11.753 -7.212 1.00 0.00 O ATOM 979 CB TYR A 386 82.775 10.404 -8.848 1.00 0.00 C ATOM 980 CG TYR A 386 81.506 9.643 -9.152 1.00 0.00 C ATOM 981 CD1 TYR A 386 80.430 9.693 -8.256 1.00 0.00 C ATOM 982 CD2 TYR A 386 81.404 8.886 -10.326 1.00 0.00 C ATOM 983 CE1 TYR A 386 79.254 8.987 -8.536 1.00 0.00 C ATOM 984 CE2 TYR A 386 80.228 8.180 -10.605 1.00 0.00 C ATOM 985 CZ TYR A 386 79.152 8.231 -9.710 1.00 0.00 C ATOM 986 OH TYR A 386 77.993 7.535 -9.985 1.00 0.00 O ATOM 0 H TYR A 386 81.978 9.735 -6.504 1.00 0.00 H new ATOM 0 HA TYR A 386 84.091 8.783 -8.325 1.00 0.00 H new ATOM 0 HB2 TYR A 386 82.534 11.393 -8.457 1.00 0.00 H new ATOM 0 HB3 TYR A 386 83.350 10.554 -9.762 1.00 0.00 H new ATOM 0 HD1 TYR A 386 80.508 10.276 -7.350 1.00 0.00 H new ATOM 0 HD2 TYR A 386 82.233 8.847 -11.017 1.00 0.00 H new ATOM 0 HE1 TYR A 386 78.424 9.026 -7.846 1.00 0.00 H new ATOM 0 HE2 TYR A 386 80.150 7.596 -11.510 1.00 0.00 H new ATOM 0 HH TYR A 386 78.089 7.064 -10.839 1.00 0.00 H new ATOM 996 N VAL A 387 85.752 9.928 -6.740 1.00 0.00 N ATOM 997 CA VAL A 387 86.841 10.689 -6.145 1.00 0.00 C ATOM 998 C VAL A 387 87.760 11.212 -7.235 1.00 0.00 C ATOM 999 O VAL A 387 87.937 10.570 -8.271 1.00 0.00 O ATOM 1000 CB VAL A 387 87.634 9.809 -5.176 1.00 0.00 C ATOM 1001 CG1 VAL A 387 88.125 8.557 -5.902 1.00 0.00 C ATOM 1002 CG2 VAL A 387 88.837 10.591 -4.641 1.00 0.00 C ATOM 0 H VAL A 387 85.894 8.918 -6.745 1.00 0.00 H new ATOM 0 HA VAL A 387 86.422 11.531 -5.594 1.00 0.00 H new ATOM 0 HB VAL A 387 86.990 9.518 -4.346 1.00 0.00 H new ATOM 0 HG11 VAL A 387 88.689 7.933 -5.209 1.00 0.00 H new ATOM 0 HG12 VAL A 387 87.270 7.997 -6.281 1.00 0.00 H new ATOM 0 HG13 VAL A 387 88.767 8.847 -6.734 1.00 0.00 H new ATOM 0 HG21 VAL A 387 89.401 9.964 -3.951 1.00 0.00 H new ATOM 0 HG22 VAL A 387 89.479 10.885 -5.472 1.00 0.00 H new ATOM 0 HG23 VAL A 387 88.489 11.482 -4.119 1.00 0.00 H new ATOM 1012 N LEU A 388 88.339 12.384 -7.001 1.00 0.00 N ATOM 1013 CA LEU A 388 89.239 13.005 -7.972 1.00 0.00 C ATOM 1014 C LEU A 388 90.646 13.116 -7.395 1.00 0.00 C ATOM 1015 O LEU A 388 90.859 12.894 -6.203 1.00 0.00 O ATOM 1016 CB LEU A 388 88.723 14.400 -8.330 1.00 0.00 C ATOM 1017 CG LEU A 388 87.211 14.356 -8.572 1.00 0.00 C ATOM 1018 CD1 LEU A 388 86.707 15.765 -8.893 1.00 0.00 C ATOM 1019 CD2 LEU A 388 86.905 13.429 -9.751 1.00 0.00 C ATOM 0 H LEU A 388 88.203 12.925 -6.147 1.00 0.00 H new ATOM 0 HA LEU A 388 89.272 12.385 -8.868 1.00 0.00 H new ATOM 0 HB2 LEU A 388 88.950 15.098 -7.524 1.00 0.00 H new ATOM 0 HB3 LEU A 388 89.231 14.766 -9.222 1.00 0.00 H new ATOM 0 HG LEU A 388 86.713 13.982 -7.678 1.00 0.00 H new ATOM 0 HD11 LEU A 388 85.631 15.736 -9.066 1.00 0.00 H new ATOM 0 HD12 LEU A 388 86.922 16.428 -8.055 1.00 0.00 H new ATOM 0 HD13 LEU A 388 87.208 16.136 -9.787 1.00 0.00 H new ATOM 0 HD21 LEU A 388 85.829 13.400 -9.921 1.00 0.00 H new ATOM 0 HD22 LEU A 388 87.404 13.802 -10.646 1.00 0.00 H new ATOM 0 HD23 LEU A 388 87.265 12.425 -9.527 1.00 0.00 H new ATOM 1031 N VAL A 389 91.600 13.467 -8.251 1.00 0.00 N ATOM 1032 CA VAL A 389 92.991 13.614 -7.826 1.00 0.00 C ATOM 1033 C VAL A 389 93.680 14.684 -8.664 1.00 0.00 C ATOM 1034 O VAL A 389 93.438 14.793 -9.866 1.00 0.00 O ATOM 1035 CB VAL A 389 93.730 12.283 -7.985 1.00 0.00 C ATOM 1036 CG1 VAL A 389 93.151 11.257 -7.009 1.00 0.00 C ATOM 1037 CG2 VAL A 389 93.560 11.774 -9.418 1.00 0.00 C ATOM 0 H VAL A 389 91.438 13.655 -9.240 1.00 0.00 H new ATOM 0 HA VAL A 389 93.009 13.911 -6.778 1.00 0.00 H new ATOM 0 HB VAL A 389 94.789 12.429 -7.773 1.00 0.00 H new ATOM 0 HG11 VAL A 389 93.677 10.309 -7.123 1.00 0.00 H new ATOM 0 HG12 VAL A 389 93.271 11.618 -5.988 1.00 0.00 H new ATOM 0 HG13 VAL A 389 92.092 11.111 -7.220 1.00 0.00 H new ATOM 0 HG21 VAL A 389 94.086 10.826 -9.532 1.00 0.00 H new ATOM 0 HG22 VAL A 389 92.501 11.629 -9.629 1.00 0.00 H new ATOM 0 HG23 VAL A 389 93.972 12.504 -10.115 1.00 0.00 H new ATOM 1047 N SER A 390 94.535 15.479 -8.024 1.00 0.00 N ATOM 1048 CA SER A 390 95.252 16.548 -8.723 1.00 0.00 C ATOM 1049 C SER A 390 96.653 16.092 -9.119 1.00 0.00 C ATOM 1050 O SER A 390 97.527 15.926 -8.268 1.00 0.00 O ATOM 1051 CB SER A 390 95.354 17.777 -7.821 1.00 0.00 C ATOM 1052 OG SER A 390 96.375 18.636 -8.311 1.00 0.00 O ATOM 0 H SER A 390 94.749 15.406 -7.029 1.00 0.00 H new ATOM 0 HA SER A 390 94.697 16.799 -9.627 1.00 0.00 H new ATOM 0 HB2 SER A 390 94.400 18.304 -7.796 1.00 0.00 H new ATOM 0 HB3 SER A 390 95.578 17.474 -6.798 1.00 0.00 H new ATOM 0 HG SER A 390 96.442 19.426 -7.735 1.00 0.00 H new ATOM 1058 N GLY A 391 96.858 15.897 -10.417 1.00 0.00 N ATOM 1059 CA GLY A 391 98.157 15.467 -10.925 1.00 0.00 C ATOM 1060 C GLY A 391 98.777 14.399 -10.030 1.00 0.00 C ATOM 1061 O GLY A 391 98.099 13.471 -9.590 1.00 0.00 O ATOM 0 H GLY A 391 96.145 16.029 -11.134 1.00 0.00 H new ATOM 0 HA2 GLY A 391 98.043 15.076 -11.936 1.00 0.00 H new ATOM 0 HA3 GLY A 391 98.827 16.325 -10.989 1.00 0.00 H new ATOM 1065 N VAL A 392 100.071 14.543 -9.762 1.00 0.00 N ATOM 1066 CA VAL A 392 100.782 13.592 -8.913 1.00 0.00 C ATOM 1067 C VAL A 392 102.044 14.230 -8.339 1.00 0.00 C ATOM 1068 O VAL A 392 102.564 15.201 -8.889 1.00 0.00 O ATOM 1069 CB VAL A 392 101.159 12.349 -9.721 1.00 0.00 C ATOM 1070 CG1 VAL A 392 102.154 12.734 -10.818 1.00 0.00 C ATOM 1071 CG2 VAL A 392 101.799 11.315 -8.794 1.00 0.00 C ATOM 0 H VAL A 392 100.647 15.306 -10.118 1.00 0.00 H new ATOM 0 HA VAL A 392 100.126 13.304 -8.092 1.00 0.00 H new ATOM 0 HB VAL A 392 100.263 11.926 -10.176 1.00 0.00 H new ATOM 0 HG11 VAL A 392 102.422 11.848 -11.393 1.00 0.00 H new ATOM 0 HG12 VAL A 392 101.699 13.472 -11.479 1.00 0.00 H new ATOM 0 HG13 VAL A 392 103.050 13.157 -10.364 1.00 0.00 H new ATOM 0 HG21 VAL A 392 102.068 10.429 -9.368 1.00 0.00 H new ATOM 0 HG22 VAL A 392 102.695 11.739 -8.340 1.00 0.00 H new ATOM 0 HG23 VAL A 392 101.091 11.040 -8.012 1.00 0.00 H new ATOM 1081 N TYR A 393 102.537 13.677 -7.229 1.00 0.00 N ATOM 1082 CA TYR A 393 103.747 14.191 -6.580 1.00 0.00 C ATOM 1083 C TYR A 393 104.795 13.087 -6.467 1.00 0.00 C ATOM 1084 O TYR A 393 104.473 11.942 -6.149 1.00 0.00 O ATOM 1085 CB TYR A 393 103.406 14.718 -5.182 1.00 0.00 C ATOM 1086 CG TYR A 393 102.684 16.042 -5.301 1.00 0.00 C ATOM 1087 CD1 TYR A 393 103.407 17.208 -5.581 1.00 0.00 C ATOM 1088 CD2 TYR A 393 101.295 16.102 -5.133 1.00 0.00 C ATOM 1089 CE1 TYR A 393 102.741 18.435 -5.691 1.00 0.00 C ATOM 1090 CE2 TYR A 393 100.630 17.329 -5.244 1.00 0.00 C ATOM 1091 CZ TYR A 393 101.352 18.495 -5.523 1.00 0.00 C ATOM 1092 OH TYR A 393 100.696 19.703 -5.632 1.00 0.00 O ATOM 0 H TYR A 393 102.118 12.874 -6.760 1.00 0.00 H new ATOM 0 HA TYR A 393 104.149 15.004 -7.185 1.00 0.00 H new ATOM 0 HB2 TYR A 393 102.781 13.998 -4.653 1.00 0.00 H new ATOM 0 HB3 TYR A 393 104.317 14.840 -4.596 1.00 0.00 H new ATOM 0 HD1 TYR A 393 104.478 17.161 -5.712 1.00 0.00 H new ATOM 0 HD2 TYR A 393 100.737 15.203 -4.918 1.00 0.00 H new ATOM 0 HE1 TYR A 393 103.298 19.335 -5.905 1.00 0.00 H new ATOM 0 HE2 TYR A 393 99.559 17.376 -5.114 1.00 0.00 H new ATOM 0 HH TYR A 393 99.736 19.568 -5.489 1.00 0.00 H new ATOM 1102 N ALA A 394 106.048 13.440 -6.732 1.00 0.00 N ATOM 1103 CA ALA A 394 107.137 12.471 -6.663 1.00 0.00 C ATOM 1104 C ALA A 394 107.430 12.089 -5.215 1.00 0.00 C ATOM 1105 O ALA A 394 107.870 10.974 -4.936 1.00 0.00 O ATOM 1106 CB ALA A 394 108.397 13.056 -7.302 1.00 0.00 C ATOM 0 H ALA A 394 106.334 14.383 -6.995 1.00 0.00 H new ATOM 0 HA ALA A 394 106.834 11.576 -7.207 1.00 0.00 H new ATOM 0 HB1 ALA A 394 109.205 12.327 -7.247 1.00 0.00 H new ATOM 0 HB2 ALA A 394 108.197 13.297 -8.346 1.00 0.00 H new ATOM 0 HB3 ALA A 394 108.688 13.961 -6.770 1.00 0.00 H new ATOM 1112 N SER A 395 107.191 13.023 -4.295 1.00 0.00 N ATOM 1113 CA SER A 395 107.438 12.775 -2.873 1.00 0.00 C ATOM 1114 C SER A 395 106.394 13.483 -2.015 1.00 0.00 C ATOM 1115 O SER A 395 105.888 14.544 -2.381 1.00 0.00 O ATOM 1116 CB SER A 395 108.832 13.276 -2.494 1.00 0.00 C ATOM 1117 OG SER A 395 109.805 12.577 -3.259 1.00 0.00 O ATOM 0 H SER A 395 106.829 13.953 -4.506 1.00 0.00 H new ATOM 0 HA SER A 395 107.372 11.702 -2.694 1.00 0.00 H new ATOM 0 HB2 SER A 395 108.909 14.348 -2.678 1.00 0.00 H new ATOM 0 HB3 SER A 395 109.010 13.122 -1.430 1.00 0.00 H new ATOM 0 HG SER A 395 110.700 12.896 -3.020 1.00 0.00 H new ATOM 1123 N LYS A 396 106.074 12.883 -0.872 1.00 0.00 N ATOM 1124 CA LYS A 396 105.088 13.459 0.035 1.00 0.00 C ATOM 1125 C LYS A 396 105.481 14.880 0.429 1.00 0.00 C ATOM 1126 O LYS A 396 104.622 15.721 0.698 1.00 0.00 O ATOM 1127 CB LYS A 396 104.969 12.594 1.291 1.00 0.00 C ATOM 1128 CG LYS A 396 103.714 12.995 2.076 1.00 0.00 C ATOM 1129 CD LYS A 396 103.794 12.433 3.499 1.00 0.00 C ATOM 1130 CE LYS A 396 103.977 10.913 3.449 1.00 0.00 C ATOM 1131 NZ LYS A 396 105.402 10.592 3.151 1.00 0.00 N ATOM 0 H LYS A 396 106.481 12.003 -0.554 1.00 0.00 H new ATOM 0 HA LYS A 396 104.127 13.492 -0.478 1.00 0.00 H new ATOM 0 HB2 LYS A 396 104.917 11.541 1.016 1.00 0.00 H new ATOM 0 HB3 LYS A 396 105.855 12.717 1.914 1.00 0.00 H new ATOM 0 HG2 LYS A 396 103.625 14.081 2.108 1.00 0.00 H new ATOM 0 HG3 LYS A 396 102.823 12.617 1.575 1.00 0.00 H new ATOM 0 HD2 LYS A 396 104.626 12.891 4.034 1.00 0.00 H new ATOM 0 HD3 LYS A 396 102.886 12.681 4.049 1.00 0.00 H new ATOM 0 HE2 LYS A 396 103.685 10.470 4.401 1.00 0.00 H new ATOM 0 HE3 LYS A 396 103.329 10.483 2.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 396 105.737 9.859 3.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 396 105.483 10.245 2.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 396 105.981 11.448 3.263 1.00 0.00 H new ATOM 1145 N GLU A 397 106.783 15.141 0.464 1.00 0.00 N ATOM 1146 CA GLU A 397 107.279 16.464 0.830 1.00 0.00 C ATOM 1147 C GLU A 397 106.529 17.552 0.066 1.00 0.00 C ATOM 1148 O GLU A 397 105.656 18.222 0.620 1.00 0.00 O ATOM 1149 CB GLU A 397 108.775 16.563 0.526 1.00 0.00 C ATOM 1150 CG GLU A 397 109.500 15.362 1.139 1.00 0.00 C ATOM 1151 CD GLU A 397 111.005 15.601 1.129 1.00 0.00 C ATOM 1152 OE1 GLU A 397 111.595 15.498 0.065 1.00 0.00 O ATOM 1153 OE2 GLU A 397 111.548 15.884 2.185 1.00 0.00 O ATOM 0 H GLU A 397 107.510 14.460 0.245 1.00 0.00 H new ATOM 0 HA GLU A 397 107.114 16.609 1.898 1.00 0.00 H new ATOM 0 HB2 GLU A 397 108.937 16.588 -0.552 1.00 0.00 H new ATOM 0 HB3 GLU A 397 109.179 17.491 0.931 1.00 0.00 H new ATOM 0 HG2 GLU A 397 109.156 15.202 2.161 1.00 0.00 H new ATOM 0 HG3 GLU A 397 109.263 14.458 0.577 1.00 0.00 H new ATOM 1160 N GLU A 398 106.875 17.725 -1.205 1.00 0.00 N ATOM 1161 CA GLU A 398 106.228 18.737 -2.032 1.00 0.00 C ATOM 1162 C GLU A 398 104.709 18.605 -1.955 1.00 0.00 C ATOM 1163 O GLU A 398 103.990 19.604 -1.923 1.00 0.00 O ATOM 1164 CB GLU A 398 106.678 18.589 -3.488 1.00 0.00 C ATOM 1165 CG GLU A 398 108.117 19.089 -3.636 1.00 0.00 C ATOM 1166 CD GLU A 398 109.031 18.344 -2.671 1.00 0.00 C ATOM 1167 OE1 GLU A 398 109.106 18.751 -1.524 1.00 0.00 O ATOM 1168 OE2 GLU A 398 109.642 17.376 -3.093 1.00 0.00 O ATOM 0 H GLU A 398 107.594 17.182 -1.682 1.00 0.00 H new ATOM 0 HA GLU A 398 106.516 19.720 -1.658 1.00 0.00 H new ATOM 0 HB2 GLU A 398 106.612 17.545 -3.795 1.00 0.00 H new ATOM 0 HB3 GLU A 398 106.016 19.156 -4.143 1.00 0.00 H new ATOM 0 HG2 GLU A 398 108.458 18.941 -4.660 1.00 0.00 H new ATOM 0 HG3 GLU A 398 108.161 20.160 -3.437 1.00 0.00 H new ATOM 1175 N ALA A 399 104.228 17.367 -1.930 1.00 0.00 N ATOM 1176 CA ALA A 399 102.793 17.116 -1.863 1.00 0.00 C ATOM 1177 C ALA A 399 102.200 17.712 -0.588 1.00 0.00 C ATOM 1178 O ALA A 399 100.998 17.968 -0.512 1.00 0.00 O ATOM 1179 CB ALA A 399 102.527 15.605 -1.910 1.00 0.00 C ATOM 0 H ALA A 399 104.806 16.527 -1.955 1.00 0.00 H new ATOM 0 HA ALA A 399 102.316 17.593 -2.719 1.00 0.00 H new ATOM 0 HB1 ALA A 399 101.454 15.423 -1.860 1.00 0.00 H new ATOM 0 HB2 ALA A 399 102.921 15.195 -2.840 1.00 0.00 H new ATOM 0 HB3 ALA A 399 103.017 15.123 -1.064 1.00 0.00 H new ATOM 1185 N LYS A 400 103.049 17.929 0.411 1.00 0.00 N ATOM 1186 CA LYS A 400 102.595 18.494 1.677 1.00 0.00 C ATOM 1187 C LYS A 400 102.208 19.959 1.505 1.00 0.00 C ATOM 1188 O LYS A 400 101.025 20.299 1.473 1.00 0.00 O ATOM 1189 CB LYS A 400 103.702 18.377 2.728 1.00 0.00 C ATOM 1190 CG LYS A 400 103.134 18.708 4.109 1.00 0.00 C ATOM 1191 CD LYS A 400 104.261 18.680 5.143 1.00 0.00 C ATOM 1192 CE LYS A 400 103.782 19.333 6.441 1.00 0.00 C ATOM 1193 NZ LYS A 400 104.899 19.355 7.428 1.00 0.00 N ATOM 0 H LYS A 400 104.047 17.724 0.370 1.00 0.00 H new ATOM 0 HA LYS A 400 101.719 17.936 2.007 1.00 0.00 H new ATOM 0 HB2 LYS A 400 104.115 17.368 2.725 1.00 0.00 H new ATOM 0 HB3 LYS A 400 104.520 19.057 2.487 1.00 0.00 H new ATOM 0 HG2 LYS A 400 102.663 19.691 4.095 1.00 0.00 H new ATOM 0 HG3 LYS A 400 102.361 17.988 4.378 1.00 0.00 H new ATOM 0 HD2 LYS A 400 104.568 17.652 5.333 1.00 0.00 H new ATOM 0 HD3 LYS A 400 105.134 19.208 4.759 1.00 0.00 H new ATOM 0 HE2 LYS A 400 103.437 20.348 6.244 1.00 0.00 H new ATOM 0 HE3 LYS A 400 102.934 18.781 6.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 400 104.574 19.799 8.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 400 105.209 18.382 7.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 400 105.695 19.900 7.039 1.00 0.00 H new ATOM 1207 N LYS A 401 103.213 20.821 1.396 1.00 0.00 N ATOM 1208 CA LYS A 401 102.968 22.250 1.228 1.00 0.00 C ATOM 1209 C LYS A 401 101.945 22.495 0.124 1.00 0.00 C ATOM 1210 O LYS A 401 101.414 23.598 -0.008 1.00 0.00 O ATOM 1211 CB LYS A 401 104.275 22.964 0.882 1.00 0.00 C ATOM 1212 CG LYS A 401 104.983 22.215 -0.248 1.00 0.00 C ATOM 1213 CD LYS A 401 106.090 23.095 -0.834 1.00 0.00 C ATOM 1214 CE LYS A 401 107.161 23.355 0.228 1.00 0.00 C ATOM 1215 NZ LYS A 401 108.404 23.846 -0.431 1.00 0.00 N ATOM 0 H LYS A 401 104.198 20.559 1.421 1.00 0.00 H new ATOM 0 HA LYS A 401 102.573 22.644 2.165 1.00 0.00 H new ATOM 0 HB2 LYS A 401 104.071 23.991 0.580 1.00 0.00 H new ATOM 0 HB3 LYS A 401 104.919 23.012 1.760 1.00 0.00 H new ATOM 0 HG2 LYS A 401 105.406 21.284 0.129 1.00 0.00 H new ATOM 0 HG3 LYS A 401 104.267 21.948 -1.025 1.00 0.00 H new ATOM 0 HD2 LYS A 401 106.535 22.607 -1.701 1.00 0.00 H new ATOM 0 HD3 LYS A 401 105.671 24.040 -1.181 1.00 0.00 H new ATOM 0 HE2 LYS A 401 106.803 24.091 0.948 1.00 0.00 H new ATOM 0 HE3 LYS A 401 107.368 22.440 0.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 401 109.132 24.023 0.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 401 108.748 23.129 -1.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 401 108.201 24.729 -0.942 1.00 0.00 H new ATOM 1229 N ALA A 402 101.672 21.463 -0.666 1.00 0.00 N ATOM 1230 CA ALA A 402 100.710 21.582 -1.756 1.00 0.00 C ATOM 1231 C ALA A 402 99.345 22.010 -1.222 1.00 0.00 C ATOM 1232 O ALA A 402 98.791 23.023 -1.648 1.00 0.00 O ATOM 1233 CB ALA A 402 100.579 20.243 -2.487 1.00 0.00 C ATOM 0 H ALA A 402 102.099 20.541 -0.574 1.00 0.00 H new ATOM 0 HA ALA A 402 101.069 22.341 -2.451 1.00 0.00 H new ATOM 0 HB1 ALA A 402 99.859 20.341 -3.299 1.00 0.00 H new ATOM 0 HB2 ALA A 402 101.548 19.954 -2.894 1.00 0.00 H new ATOM 0 HB3 ALA A 402 100.237 19.479 -1.789 1.00 0.00 H new ATOM 1239 N VAL A 403 98.810 21.230 -0.288 1.00 0.00 N ATOM 1240 CA VAL A 403 97.509 21.535 0.297 1.00 0.00 C ATOM 1241 C VAL A 403 97.415 23.013 0.663 1.00 0.00 C ATOM 1242 O VAL A 403 96.374 23.643 0.479 1.00 0.00 O ATOM 1243 CB VAL A 403 97.290 20.686 1.550 1.00 0.00 C ATOM 1244 CG1 VAL A 403 95.927 21.017 2.159 1.00 0.00 C ATOM 1245 CG2 VAL A 403 97.331 19.204 1.172 1.00 0.00 C ATOM 0 H VAL A 403 99.254 20.388 0.078 1.00 0.00 H new ATOM 0 HA VAL A 403 96.739 21.306 -0.440 1.00 0.00 H new ATOM 0 HB VAL A 403 98.074 20.900 2.276 1.00 0.00 H new ATOM 0 HG11 VAL A 403 95.771 20.412 3.052 1.00 0.00 H new ATOM 0 HG12 VAL A 403 95.895 22.073 2.426 1.00 0.00 H new ATOM 0 HG13 VAL A 403 95.142 20.802 1.433 1.00 0.00 H new ATOM 0 HG21 VAL A 403 97.175 18.597 2.064 1.00 0.00 H new ATOM 0 HG22 VAL A 403 96.546 18.992 0.446 1.00 0.00 H new ATOM 0 HG23 VAL A 403 98.301 18.966 0.736 1.00 0.00 H new ATOM 1255 N SER A 404 98.507 23.558 1.188 1.00 0.00 N ATOM 1256 CA SER A 404 98.536 24.961 1.581 1.00 0.00 C ATOM 1257 C SER A 404 98.226 25.864 0.391 1.00 0.00 C ATOM 1258 O SER A 404 97.557 26.888 0.536 1.00 0.00 O ATOM 1259 CB SER A 404 99.911 25.315 2.147 1.00 0.00 C ATOM 1260 OG SER A 404 100.797 25.613 1.075 1.00 0.00 O ATOM 0 H SER A 404 99.378 23.053 1.350 1.00 0.00 H new ATOM 0 HA SER A 404 97.775 25.118 2.345 1.00 0.00 H new ATOM 0 HB2 SER A 404 99.832 26.171 2.817 1.00 0.00 H new ATOM 0 HB3 SER A 404 100.300 24.484 2.735 1.00 0.00 H new ATOM 0 HG SER A 404 100.843 24.847 0.466 1.00 0.00 H new ATOM 1266 N THR A 405 98.720 25.483 -0.782 1.00 0.00 N ATOM 1267 CA THR A 405 98.490 26.275 -1.985 1.00 0.00 C ATOM 1268 C THR A 405 97.002 26.343 -2.313 1.00 0.00 C ATOM 1269 O THR A 405 96.447 27.428 -2.490 1.00 0.00 O ATOM 1270 CB THR A 405 99.247 25.664 -3.165 1.00 0.00 C ATOM 1271 OG1 THR A 405 98.630 24.440 -3.539 1.00 0.00 O ATOM 1272 CG2 THR A 405 100.700 25.404 -2.764 1.00 0.00 C ATOM 0 H THR A 405 99.276 24.640 -0.925 1.00 0.00 H new ATOM 0 HA THR A 405 98.854 27.286 -1.803 1.00 0.00 H new ATOM 0 HB THR A 405 99.224 26.355 -4.008 1.00 0.00 H new ATOM 0 HG1 THR A 405 98.899 23.734 -2.915 1.00 0.00 H new ATOM 0 HG21 THR A 405 101.238 24.969 -3.606 1.00 0.00 H new ATOM 0 HG22 THR A 405 101.172 26.344 -2.479 1.00 0.00 H new ATOM 0 HG23 THR A 405 100.727 24.714 -1.921 1.00 0.00 H new ATOM 1280 N LEU A 406 96.360 25.181 -2.403 1.00 0.00 N ATOM 1281 CA LEU A 406 94.936 25.123 -2.721 1.00 0.00 C ATOM 1282 C LEU A 406 94.163 26.211 -1.963 1.00 0.00 C ATOM 1283 O LEU A 406 94.531 26.562 -0.842 1.00 0.00 O ATOM 1284 CB LEU A 406 94.376 23.745 -2.345 1.00 0.00 C ATOM 1285 CG LEU A 406 95.323 22.642 -2.829 1.00 0.00 C ATOM 1286 CD1 LEU A 406 94.654 21.280 -2.637 1.00 0.00 C ATOM 1287 CD2 LEU A 406 95.644 22.846 -4.315 1.00 0.00 C ATOM 0 H LEU A 406 96.800 24.272 -2.261 1.00 0.00 H new ATOM 0 HA LEU A 406 94.817 25.290 -3.791 1.00 0.00 H new ATOM 0 HB2 LEU A 406 94.249 23.678 -1.264 1.00 0.00 H new ATOM 0 HB3 LEU A 406 93.390 23.610 -2.791 1.00 0.00 H new ATOM 0 HG LEU A 406 96.247 22.683 -2.253 1.00 0.00 H new ATOM 0 HD11 LEU A 406 95.326 20.493 -2.981 1.00 0.00 H new ATOM 0 HD12 LEU A 406 94.430 21.130 -1.581 1.00 0.00 H new ATOM 0 HD13 LEU A 406 93.729 21.245 -3.213 1.00 0.00 H new ATOM 0 HD21 LEU A 406 96.318 22.059 -4.653 1.00 0.00 H new ATOM 0 HD22 LEU A 406 94.722 22.808 -4.895 1.00 0.00 H new ATOM 0 HD23 LEU A 406 96.121 23.816 -4.454 1.00 0.00 H new ATOM 1299 N PRO A 407 93.108 26.749 -2.537 1.00 0.00 N ATOM 1300 CA PRO A 407 92.293 27.810 -1.872 1.00 0.00 C ATOM 1301 C PRO A 407 91.453 27.250 -0.723 1.00 0.00 C ATOM 1302 O PRO A 407 91.461 26.046 -0.466 1.00 0.00 O ATOM 1303 CB PRO A 407 91.404 28.341 -3.005 1.00 0.00 C ATOM 1304 CG PRO A 407 91.248 27.183 -3.934 1.00 0.00 C ATOM 1305 CD PRO A 407 92.570 26.416 -3.872 1.00 0.00 C ATOM 0 HA PRO A 407 92.910 28.583 -1.415 1.00 0.00 H new ATOM 0 HB2 PRO A 407 90.439 28.679 -2.627 1.00 0.00 H new ATOM 0 HB3 PRO A 407 91.866 29.192 -3.506 1.00 0.00 H new ATOM 0 HG2 PRO A 407 90.414 26.549 -3.632 1.00 0.00 H new ATOM 0 HG3 PRO A 407 91.040 27.522 -4.949 1.00 0.00 H new ATOM 0 HD2 PRO A 407 92.416 25.343 -3.985 1.00 0.00 H new ATOM 0 HD3 PRO A 407 93.250 26.725 -4.666 1.00 0.00 H new ATOM 1313 N ALA A 408 90.730 28.132 -0.043 1.00 0.00 N ATOM 1314 CA ALA A 408 89.887 27.716 1.073 1.00 0.00 C ATOM 1315 C ALA A 408 88.801 26.759 0.594 1.00 0.00 C ATOM 1316 O ALA A 408 88.612 25.683 1.163 1.00 0.00 O ATOM 1317 CB ALA A 408 89.240 28.940 1.723 1.00 0.00 C ATOM 0 H ALA A 408 90.710 29.132 -0.242 1.00 0.00 H new ATOM 0 HA ALA A 408 90.511 27.204 1.805 1.00 0.00 H new ATOM 0 HB1 ALA A 408 88.612 28.621 2.555 1.00 0.00 H new ATOM 0 HB2 ALA A 408 90.017 29.610 2.091 1.00 0.00 H new ATOM 0 HB3 ALA A 408 88.629 29.462 0.987 1.00 0.00 H new ATOM 1323 N ASP A 409 88.088 27.158 -0.454 1.00 0.00 N ATOM 1324 CA ASP A 409 87.018 26.333 -1.006 1.00 0.00 C ATOM 1325 C ASP A 409 87.443 24.868 -1.087 1.00 0.00 C ATOM 1326 O ASP A 409 86.680 23.972 -0.728 1.00 0.00 O ATOM 1327 CB ASP A 409 86.642 26.833 -2.402 1.00 0.00 C ATOM 1328 CG ASP A 409 86.285 28.315 -2.346 1.00 0.00 C ATOM 1329 OD1 ASP A 409 86.972 29.044 -1.651 1.00 0.00 O ATOM 1330 OD2 ASP A 409 85.327 28.698 -2.999 1.00 0.00 O ATOM 0 H ASP A 409 88.231 28.045 -0.937 1.00 0.00 H new ATOM 0 HA ASP A 409 86.155 26.408 -0.344 1.00 0.00 H new ATOM 0 HB2 ASP A 409 87.473 26.676 -3.090 1.00 0.00 H new ATOM 0 HB3 ASP A 409 85.798 26.261 -2.787 1.00 0.00 H new ATOM 1335 N VAL A 410 88.663 24.634 -1.560 1.00 0.00 N ATOM 1336 CA VAL A 410 89.174 23.273 -1.682 1.00 0.00 C ATOM 1337 C VAL A 410 89.600 22.737 -0.319 1.00 0.00 C ATOM 1338 O VAL A 410 89.247 21.619 0.057 1.00 0.00 O ATOM 1339 CB VAL A 410 90.364 23.246 -2.643 1.00 0.00 C ATOM 1340 CG1 VAL A 410 90.956 21.835 -2.687 1.00 0.00 C ATOM 1341 CG2 VAL A 410 89.894 23.644 -4.044 1.00 0.00 C ATOM 0 H VAL A 410 89.311 25.361 -1.863 1.00 0.00 H new ATOM 0 HA VAL A 410 88.379 22.639 -2.075 1.00 0.00 H new ATOM 0 HB VAL A 410 91.124 23.947 -2.299 1.00 0.00 H new ATOM 0 HG11 VAL A 410 91.804 21.817 -3.372 1.00 0.00 H new ATOM 0 HG12 VAL A 410 91.290 21.549 -1.689 1.00 0.00 H new ATOM 0 HG13 VAL A 410 90.197 21.132 -3.031 1.00 0.00 H new ATOM 0 HG21 VAL A 410 90.740 23.626 -4.731 1.00 0.00 H new ATOM 0 HG22 VAL A 410 89.134 22.942 -4.386 1.00 0.00 H new ATOM 0 HG23 VAL A 410 89.473 24.649 -4.015 1.00 0.00 H new ATOM 1351 N GLN A 411 90.358 23.542 0.420 1.00 0.00 N ATOM 1352 CA GLN A 411 90.822 23.136 1.741 1.00 0.00 C ATOM 1353 C GLN A 411 89.638 22.975 2.691 1.00 0.00 C ATOM 1354 O GLN A 411 89.772 22.420 3.782 1.00 0.00 O ATOM 1355 CB GLN A 411 91.793 24.180 2.298 1.00 0.00 C ATOM 1356 CG GLN A 411 92.397 23.675 3.610 1.00 0.00 C ATOM 1357 CD GLN A 411 93.579 24.551 4.011 1.00 0.00 C ATOM 1358 OE1 GLN A 411 93.483 25.329 4.960 1.00 0.00 O ATOM 1359 NE2 GLN A 411 94.696 24.471 3.339 1.00 0.00 N ATOM 0 H GLN A 411 90.661 24.471 0.129 1.00 0.00 H new ATOM 0 HA GLN A 411 91.336 22.179 1.651 1.00 0.00 H new ATOM 0 HB2 GLN A 411 92.584 24.377 1.575 1.00 0.00 H new ATOM 0 HB3 GLN A 411 91.272 25.123 2.465 1.00 0.00 H new ATOM 0 HG2 GLN A 411 91.642 23.687 4.396 1.00 0.00 H new ATOM 0 HG3 GLN A 411 92.722 22.641 3.496 1.00 0.00 H new ATOM 0 HE21 GLN A 411 94.773 23.826 2.553 1.00 0.00 H new ATOM 0 HE22 GLN A 411 95.491 25.054 3.600 1.00 0.00 H new ATOM 1368 N ALA A 412 88.478 23.463 2.265 1.00 0.00 N ATOM 1369 CA ALA A 412 87.271 23.368 3.079 1.00 0.00 C ATOM 1370 C ALA A 412 87.099 21.948 3.610 1.00 0.00 C ATOM 1371 O ALA A 412 86.763 21.745 4.777 1.00 0.00 O ATOM 1372 CB ALA A 412 86.047 23.758 2.251 1.00 0.00 C ATOM 0 H ALA A 412 88.348 23.926 1.366 1.00 0.00 H new ATOM 0 HA ALA A 412 87.368 24.052 3.922 1.00 0.00 H new ATOM 0 HB1 ALA A 412 85.152 23.684 2.868 1.00 0.00 H new ATOM 0 HB2 ALA A 412 86.159 24.783 1.896 1.00 0.00 H new ATOM 0 HB3 ALA A 412 85.956 23.086 1.397 1.00 0.00 H new ATOM 1378 N LYS A 413 87.338 20.967 2.742 1.00 0.00 N ATOM 1379 CA LYS A 413 87.215 19.561 3.124 1.00 0.00 C ATOM 1380 C LYS A 413 88.534 19.072 3.714 1.00 0.00 C ATOM 1381 O LYS A 413 88.660 17.919 4.128 1.00 0.00 O ATOM 1382 CB LYS A 413 86.846 18.710 1.893 1.00 0.00 C ATOM 1383 CG LYS A 413 85.987 19.534 0.931 1.00 0.00 C ATOM 1384 CD LYS A 413 84.726 20.019 1.651 1.00 0.00 C ATOM 1385 CE LYS A 413 83.709 20.517 0.622 1.00 0.00 C ATOM 1386 NZ LYS A 413 83.164 19.359 -0.140 1.00 0.00 N ATOM 0 H LYS A 413 87.617 21.118 1.773 1.00 0.00 H new ATOM 0 HA LYS A 413 86.428 19.462 3.871 1.00 0.00 H new ATOM 0 HB2 LYS A 413 87.751 18.372 1.388 1.00 0.00 H new ATOM 0 HB3 LYS A 413 86.304 17.818 2.206 1.00 0.00 H new ATOM 0 HG2 LYS A 413 86.556 20.386 0.559 1.00 0.00 H new ATOM 0 HG3 LYS A 413 85.714 18.931 0.065 1.00 0.00 H new ATOM 0 HD2 LYS A 413 84.296 19.208 2.240 1.00 0.00 H new ATOM 0 HD3 LYS A 413 84.977 20.820 2.347 1.00 0.00 H new ATOM 0 HE2 LYS A 413 82.900 21.049 1.123 1.00 0.00 H new ATOM 0 HE3 LYS A 413 84.182 21.224 -0.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 82.412 19.687 -0.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 83.925 18.920 -0.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 82.773 18.660 0.523 1.00 0.00 H new ATOM 1400 N ASN A 414 89.515 19.967 3.730 1.00 0.00 N ATOM 1401 CA ASN A 414 90.839 19.644 4.251 1.00 0.00 C ATOM 1402 C ASN A 414 91.272 18.254 3.792 1.00 0.00 C ATOM 1403 O ASN A 414 91.402 17.334 4.598 1.00 0.00 O ATOM 1404 CB ASN A 414 90.833 19.706 5.781 1.00 0.00 C ATOM 1405 CG ASN A 414 89.785 18.749 6.340 1.00 0.00 C ATOM 1406 OD1 ASN A 414 88.621 19.120 6.486 1.00 0.00 O ATOM 1407 ND2 ASN A 414 90.133 17.533 6.662 1.00 0.00 N ATOM 0 H ASN A 414 89.419 20.923 3.388 1.00 0.00 H new ATOM 0 HA ASN A 414 91.548 20.377 3.865 1.00 0.00 H new ATOM 0 HB2 ASN A 414 91.818 19.445 6.167 1.00 0.00 H new ATOM 0 HB3 ASN A 414 90.621 20.723 6.111 1.00 0.00 H new ATOM 0 HD21 ASN A 414 89.439 16.886 7.036 1.00 0.00 H new ATOM 0 HD22 ASN A 414 91.099 17.230 6.539 1.00 0.00 H new ATOM 1414 N PRO A 415 91.487 18.090 2.513 1.00 0.00 N ATOM 1415 CA PRO A 415 91.908 16.786 1.920 1.00 0.00 C ATOM 1416 C PRO A 415 93.031 16.115 2.710 1.00 0.00 C ATOM 1417 O PRO A 415 93.523 16.662 3.697 1.00 0.00 O ATOM 1418 CB PRO A 415 92.374 17.172 0.511 1.00 0.00 C ATOM 1419 CG PRO A 415 91.573 18.387 0.166 1.00 0.00 C ATOM 1420 CD PRO A 415 91.354 19.139 1.483 1.00 0.00 C ATOM 0 HA PRO A 415 91.100 16.054 1.925 1.00 0.00 H new ATOM 0 HB2 PRO A 415 93.443 17.384 0.492 1.00 0.00 H new ATOM 0 HB3 PRO A 415 92.196 16.365 -0.200 1.00 0.00 H new ATOM 0 HG2 PRO A 415 92.101 19.010 -0.556 1.00 0.00 H new ATOM 0 HG3 PRO A 415 90.621 18.111 -0.288 1.00 0.00 H new ATOM 0 HD2 PRO A 415 92.092 19.930 1.620 1.00 0.00 H new ATOM 0 HD3 PRO A 415 90.372 19.610 1.516 1.00 0.00 H new ATOM 1428 N TRP A 416 93.428 14.925 2.262 1.00 0.00 N ATOM 1429 CA TRP A 416 94.494 14.171 2.922 1.00 0.00 C ATOM 1430 C TRP A 416 95.313 13.399 1.892 1.00 0.00 C ATOM 1431 O TRP A 416 94.919 13.283 0.732 1.00 0.00 O ATOM 1432 CB TRP A 416 93.893 13.195 3.936 1.00 0.00 C ATOM 1433 CG TRP A 416 93.084 12.162 3.219 1.00 0.00 C ATOM 1434 CD1 TRP A 416 91.908 12.395 2.591 1.00 0.00 C ATOM 1435 CD2 TRP A 416 93.368 10.744 3.044 1.00 0.00 C ATOM 1436 NE1 TRP A 416 91.453 11.209 2.043 1.00 0.00 N ATOM 1437 CE2 TRP A 416 92.319 10.163 2.294 1.00 0.00 C ATOM 1438 CE3 TRP A 416 94.425 9.914 3.458 1.00 0.00 C ATOM 1439 CZ2 TRP A 416 92.317 8.806 1.968 1.00 0.00 C ATOM 1440 CZ3 TRP A 416 94.427 8.548 3.131 1.00 0.00 C ATOM 1441 CH2 TRP A 416 93.375 7.996 2.388 1.00 0.00 C ATOM 0 H TRP A 416 93.028 14.462 1.446 1.00 0.00 H new ATOM 0 HA TRP A 416 95.147 14.873 3.440 1.00 0.00 H new ATOM 0 HB2 TRP A 416 94.687 12.716 4.510 1.00 0.00 H new ATOM 0 HB3 TRP A 416 93.266 13.733 4.647 1.00 0.00 H new ATOM 0 HD1 TRP A 416 91.407 13.350 2.528 1.00 0.00 H new ATOM 0 HE1 TRP A 416 90.584 11.118 1.517 1.00 0.00 H new ATOM 0 HE3 TRP A 416 95.241 10.330 4.031 1.00 0.00 H new ATOM 0 HZ2 TRP A 416 91.504 8.385 1.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 416 95.244 7.920 3.454 1.00 0.00 H new ATOM 0 HH2 TRP A 416 93.382 6.945 2.140 1.00 0.00 H new ATOM 1452 N ALA A 417 96.457 12.877 2.322 1.00 0.00 N ATOM 1453 CA ALA A 417 97.326 12.121 1.426 1.00 0.00 C ATOM 1454 C ALA A 417 96.742 10.740 1.144 1.00 0.00 C ATOM 1455 O ALA A 417 96.672 9.892 2.033 1.00 0.00 O ATOM 1456 CB ALA A 417 98.714 11.972 2.051 1.00 0.00 C ATOM 0 H ALA A 417 96.803 12.962 3.278 1.00 0.00 H new ATOM 0 HA ALA A 417 97.406 12.665 0.485 1.00 0.00 H new ATOM 0 HB1 ALA A 417 99.358 11.407 1.377 1.00 0.00 H new ATOM 0 HB2 ALA A 417 99.144 12.959 2.221 1.00 0.00 H new ATOM 0 HB3 ALA A 417 98.631 11.444 3.001 1.00 0.00 H new ATOM 1462 N LYS A 418 96.321 10.522 -0.104 1.00 0.00 N ATOM 1463 CA LYS A 418 95.739 9.239 -0.513 1.00 0.00 C ATOM 1464 C LYS A 418 96.616 8.564 -1.569 1.00 0.00 C ATOM 1465 O LYS A 418 96.366 8.698 -2.767 1.00 0.00 O ATOM 1466 CB LYS A 418 94.344 9.476 -1.098 1.00 0.00 C ATOM 1467 CG LYS A 418 93.676 8.130 -1.385 1.00 0.00 C ATOM 1468 CD LYS A 418 92.262 8.365 -1.917 1.00 0.00 C ATOM 1469 CE LYS A 418 91.671 7.039 -2.401 1.00 0.00 C ATOM 1470 NZ LYS A 418 91.763 6.027 -1.311 1.00 0.00 N ATOM 0 H LYS A 418 96.372 11.216 -0.850 1.00 0.00 H new ATOM 0 HA LYS A 418 95.674 8.591 0.361 1.00 0.00 H new ATOM 0 HB2 LYS A 418 93.738 10.053 -0.399 1.00 0.00 H new ATOM 0 HB3 LYS A 418 94.417 10.061 -2.015 1.00 0.00 H new ATOM 0 HG2 LYS A 418 94.262 7.570 -2.114 1.00 0.00 H new ATOM 0 HG3 LYS A 418 93.639 7.529 -0.476 1.00 0.00 H new ATOM 0 HD2 LYS A 418 91.634 8.791 -1.135 1.00 0.00 H new ATOM 0 HD3 LYS A 418 92.285 9.085 -2.735 1.00 0.00 H new ATOM 0 HE2 LYS A 418 90.631 7.178 -2.696 1.00 0.00 H new ATOM 0 HE3 LYS A 418 92.208 6.689 -3.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 418 91.085 5.259 -1.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 418 92.727 5.638 -1.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 418 91.541 6.477 -0.400 1.00 0.00 H new ATOM 1484 N PRO A 419 97.633 7.844 -1.157 1.00 0.00 N ATOM 1485 CA PRO A 419 98.555 7.140 -2.100 1.00 0.00 C ATOM 1486 C PRO A 419 97.802 6.355 -3.174 1.00 0.00 C ATOM 1487 O PRO A 419 96.588 6.168 -3.084 1.00 0.00 O ATOM 1488 CB PRO A 419 99.353 6.204 -1.183 1.00 0.00 C ATOM 1489 CG PRO A 419 99.366 6.895 0.141 1.00 0.00 C ATOM 1490 CD PRO A 419 98.023 7.622 0.249 1.00 0.00 C ATOM 0 HA PRO A 419 99.182 7.834 -2.659 1.00 0.00 H new ATOM 0 HB2 PRO A 419 98.884 5.223 -1.113 1.00 0.00 H new ATOM 0 HB3 PRO A 419 100.364 6.048 -1.559 1.00 0.00 H new ATOM 0 HG2 PRO A 419 99.489 6.179 0.954 1.00 0.00 H new ATOM 0 HG3 PRO A 419 100.197 7.598 0.207 1.00 0.00 H new ATOM 0 HD2 PRO A 419 97.284 7.022 0.780 1.00 0.00 H new ATOM 0 HD3 PRO A 419 98.119 8.563 0.792 1.00 0.00 H new ATOM 1498 N LEU A 420 98.533 5.895 -4.186 1.00 0.00 N ATOM 1499 CA LEU A 420 97.928 5.128 -5.270 1.00 0.00 C ATOM 1500 C LEU A 420 97.741 3.673 -4.852 1.00 0.00 C ATOM 1501 O LEU A 420 96.842 2.988 -5.338 1.00 0.00 O ATOM 1502 CB LEU A 420 98.813 5.194 -6.518 1.00 0.00 C ATOM 1503 CG LEU A 420 99.320 6.625 -6.719 1.00 0.00 C ATOM 1504 CD1 LEU A 420 100.061 6.719 -8.054 1.00 0.00 C ATOM 1505 CD2 LEU A 420 98.134 7.594 -6.725 1.00 0.00 C ATOM 0 H LEU A 420 99.539 6.039 -4.278 1.00 0.00 H new ATOM 0 HA LEU A 420 96.953 5.560 -5.496 1.00 0.00 H new ATOM 0 HB2 LEU A 420 99.656 4.511 -6.414 1.00 0.00 H new ATOM 0 HB3 LEU A 420 98.248 4.872 -7.393 1.00 0.00 H new ATOM 0 HG LEU A 420 99.997 6.887 -5.906 1.00 0.00 H new ATOM 0 HD11 LEU A 420 100.423 7.737 -8.199 1.00 0.00 H new ATOM 0 HD12 LEU A 420 100.906 6.031 -8.050 1.00 0.00 H new ATOM 0 HD13 LEU A 420 99.383 6.456 -8.866 1.00 0.00 H new ATOM 0 HD21 LEU A 420 98.497 8.612 -6.868 1.00 0.00 H new ATOM 0 HD22 LEU A 420 97.455 7.333 -7.537 1.00 0.00 H new ATOM 0 HD23 LEU A 420 97.605 7.528 -5.774 1.00 0.00 H new ATOM 1517 N ARG A 421 98.597 3.208 -3.948 1.00 0.00 N ATOM 1518 CA ARG A 421 98.516 1.834 -3.471 1.00 0.00 C ATOM 1519 C ARG A 421 97.091 1.499 -3.043 1.00 0.00 C ATOM 1520 O ARG A 421 96.671 0.343 -3.099 1.00 0.00 O ATOM 1521 CB ARG A 421 99.465 1.638 -2.287 1.00 0.00 C ATOM 1522 CG ARG A 421 99.661 0.143 -2.025 1.00 0.00 C ATOM 1523 CD ARG A 421 100.673 -0.049 -0.896 1.00 0.00 C ATOM 1524 NE ARG A 421 100.859 -1.469 -0.619 1.00 0.00 N ATOM 1525 CZ ARG A 421 101.873 -1.897 0.125 1.00 0.00 C ATOM 1526 NH1 ARG A 421 102.726 -1.043 0.622 1.00 0.00 N ATOM 1527 NH2 ARG A 421 102.017 -3.174 0.358 1.00 0.00 N ATOM 0 H ARG A 421 99.349 3.758 -3.534 1.00 0.00 H new ATOM 0 HA ARG A 421 98.805 1.168 -4.284 1.00 0.00 H new ATOM 0 HB2 ARG A 421 100.425 2.109 -2.496 1.00 0.00 H new ATOM 0 HB3 ARG A 421 99.059 2.123 -1.399 1.00 0.00 H new ATOM 0 HG2 ARG A 421 98.710 -0.318 -1.757 1.00 0.00 H new ATOM 0 HG3 ARG A 421 100.012 -0.353 -2.930 1.00 0.00 H new ATOM 0 HD2 ARG A 421 101.626 0.403 -1.172 1.00 0.00 H new ATOM 0 HD3 ARG A 421 100.327 0.461 0.003 1.00 0.00 H new ATOM 0 HE ARG A 421 100.199 -2.145 -1.003 1.00 0.00 H new ATOM 0 HH11 ARG A 421 102.614 -0.046 0.439 1.00 0.00 H new ATOM 0 HH12 ARG A 421 103.504 -1.373 1.193 1.00 0.00 H new ATOM 0 HH21 ARG A 421 101.351 -3.842 -0.031 1.00 0.00 H new ATOM 0 HH22 ARG A 421 102.795 -3.504 0.929 1.00 0.00 H new ATOM 1541 N GLN A 422 96.354 2.519 -2.610 1.00 0.00 N ATOM 1542 CA GLN A 422 94.975 2.326 -2.166 1.00 0.00 C ATOM 1543 C GLN A 422 94.011 2.415 -3.342 1.00 0.00 C ATOM 1544 O GLN A 422 92.970 1.763 -3.352 1.00 0.00 O ATOM 1545 CB GLN A 422 94.612 3.387 -1.123 1.00 0.00 C ATOM 1546 CG GLN A 422 93.347 2.965 -0.373 1.00 0.00 C ATOM 1547 CD GLN A 422 93.678 1.861 0.627 1.00 0.00 C ATOM 1548 OE1 GLN A 422 94.897 1.401 0.696 1.00 0.00 O flip ATOM 1549 NE2 GLN A 422 92.803 1.407 1.364 1.00 0.00 N flip ATOM 0 H GLN A 422 96.685 3.482 -2.557 1.00 0.00 H new ATOM 0 HA GLN A 422 94.892 1.334 -1.723 1.00 0.00 H new ATOM 0 HB2 GLN A 422 95.436 3.517 -0.421 1.00 0.00 H new ATOM 0 HB3 GLN A 422 94.453 4.349 -1.610 1.00 0.00 H new ATOM 0 HG2 GLN A 422 92.920 3.822 0.147 1.00 0.00 H new ATOM 0 HG3 GLN A 422 92.595 2.614 -1.080 1.00 0.00 H new ATOM 0 HE21 GLN A 422 91.851 1.768 1.308 1.00 0.00 H new ATOM 0 HE22 GLN A 422 93.030 0.669 2.031 1.00 0.00 H new ATOM 1558 N VAL A 423 94.363 3.217 -4.337 1.00 0.00 N ATOM 1559 CA VAL A 423 93.515 3.360 -5.509 1.00 0.00 C ATOM 1560 C VAL A 423 93.248 1.989 -6.120 1.00 0.00 C ATOM 1561 O VAL A 423 92.178 1.739 -6.675 1.00 0.00 O ATOM 1562 CB VAL A 423 94.196 4.258 -6.538 1.00 0.00 C ATOM 1563 CG1 VAL A 423 93.371 4.289 -7.827 1.00 0.00 C ATOM 1564 CG2 VAL A 423 94.316 5.676 -5.976 1.00 0.00 C ATOM 0 H VAL A 423 95.219 3.772 -4.356 1.00 0.00 H new ATOM 0 HA VAL A 423 92.569 3.813 -5.211 1.00 0.00 H new ATOM 0 HB VAL A 423 95.189 3.865 -6.756 1.00 0.00 H new ATOM 0 HG11 VAL A 423 93.862 4.932 -8.558 1.00 0.00 H new ATOM 0 HG12 VAL A 423 93.287 3.280 -8.230 1.00 0.00 H new ATOM 0 HG13 VAL A 423 92.376 4.678 -7.613 1.00 0.00 H new ATOM 0 HG21 VAL A 423 94.802 6.318 -6.710 1.00 0.00 H new ATOM 0 HG22 VAL A 423 93.322 6.065 -5.755 1.00 0.00 H new ATOM 0 HG23 VAL A 423 94.909 5.656 -5.062 1.00 0.00 H new ATOM 1574 N GLN A 424 94.234 1.104 -6.005 1.00 0.00 N ATOM 1575 CA GLN A 424 94.104 -0.245 -6.541 1.00 0.00 C ATOM 1576 C GLN A 424 93.270 -1.106 -5.602 1.00 0.00 C ATOM 1577 O GLN A 424 93.038 -2.288 -5.861 1.00 0.00 O ATOM 1578 CB GLN A 424 95.487 -0.872 -6.724 1.00 0.00 C ATOM 1579 CG GLN A 424 96.197 -0.209 -7.907 1.00 0.00 C ATOM 1580 CD GLN A 424 97.553 -0.866 -8.136 1.00 0.00 C ATOM 1581 OE1 GLN A 424 97.763 -1.518 -9.159 1.00 0.00 O ATOM 1582 NE2 GLN A 424 98.493 -0.731 -7.240 1.00 0.00 N ATOM 0 H GLN A 424 95.126 1.296 -5.548 1.00 0.00 H new ATOM 0 HA GLN A 424 93.605 -0.189 -7.509 1.00 0.00 H new ATOM 0 HB2 GLN A 424 96.077 -0.748 -5.816 1.00 0.00 H new ATOM 0 HB3 GLN A 424 95.392 -1.944 -6.898 1.00 0.00 H new ATOM 0 HG2 GLN A 424 95.585 -0.297 -8.805 1.00 0.00 H new ATOM 0 HG3 GLN A 424 96.328 0.856 -7.713 1.00 0.00 H new ATOM 0 HE21 GLN A 424 98.317 -0.190 -6.393 1.00 0.00 H new ATOM 0 HE22 GLN A 424 99.404 -1.166 -7.387 1.00 0.00 H new