USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 448 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 Single : A 581 SER OG : rot 34:sc= 0.0215 USER MOD Single : A 594 HIS : no HE2:sc= 0.03 K(o=0.03,f=-0.6) USER MOD Single : A 597 THR OG1 : rot -82:sc= 1.5 USER MOD Single : A 604 LYS NZ :NH3+ 142:sc= 1.36 (180deg=0.378) USER MOD Single : A 605 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 616 TYR OH : rot 180:sc= 0 USER MOD Single : A 620 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 622 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 624 LYS NZ :NH3+ 168:sc= -0.0012 (180deg=-0.0845) USER MOD Single : A 625 THR OG1 : rot 180:sc= 0 USER MOD Single : A 628 HIS : no HD1:sc=-0.00937 X(o=-0.0094,f=0) USER MOD Single : A 629 THR OG1 : rot 80:sc= 1.02 USER MOD Single : A 631 SER OG : rot 61:sc= 1.25 USER MOD Single : A 644 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 654 HIS : no HD1:sc= -2.33! C(o=-2.3!,f=-2.9!) USER MOD Single : A 656 TYR OH : rot 180:sc= 0 USER MOD Single : A 658 SER OG : rot 180:sc= 0 USER MOD Single : A 659 GLN : amide:sc= -0.0678 K(o=-0.068,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 321 N SER A 581 1.216 10.013 -2.122 1.00 60.01 N ATOM 322 CA SER A 581 0.402 10.154 -3.324 1.00 11.25 C ATOM 323 C SER A 581 0.025 8.787 -3.887 1.00 22.25 C ATOM 324 O SER A 581 0.659 7.778 -3.577 1.00 15.25 O ATOM 325 CB SER A 581 1.153 10.964 -4.382 1.00 54.24 C ATOM 326 OG SER A 581 1.367 12.296 -3.946 1.00 71.54 O ATOM 0 HA SER A 581 -0.513 10.682 -3.054 1.00 11.25 H new ATOM 0 HB2 SER A 581 2.111 10.490 -4.596 1.00 54.24 H new ATOM 0 HB3 SER A 581 0.585 10.969 -5.312 1.00 54.24 H new ATOM 0 HG SER A 581 1.513 12.304 -2.977 1.00 71.54 H new ATOM 331 N VAL A 582 -1.012 8.762 -4.718 1.00 2.32 N ATOM 332 CA VAL A 582 -1.475 7.521 -5.327 1.00 44.21 C ATOM 333 C VAL A 582 -0.335 6.798 -6.035 1.00 25.21 C ATOM 334 O VAL A 582 -0.286 5.569 -6.060 1.00 64.15 O ATOM 335 CB VAL A 582 -2.610 7.779 -6.336 1.00 75.32 C ATOM 336 CG1 VAL A 582 -3.827 8.361 -5.634 1.00 72.03 C ATOM 337 CG2 VAL A 582 -2.133 8.701 -7.448 1.00 21.23 C ATOM 0 H VAL A 582 -1.548 9.588 -4.985 1.00 2.32 H new ATOM 0 HA VAL A 582 -1.853 6.894 -4.519 1.00 44.21 H new ATOM 0 HB VAL A 582 -2.900 6.828 -6.783 1.00 75.32 H new ATOM 0 HG11 VAL A 582 -4.618 8.536 -6.363 1.00 72.03 H new ATOM 0 HG12 VAL A 582 -4.180 7.661 -4.877 1.00 72.03 H new ATOM 0 HG13 VAL A 582 -3.556 9.304 -5.158 1.00 72.03 H new ATOM 0 HG21 VAL A 582 -2.947 8.873 -8.152 1.00 21.23 H new ATOM 0 HG22 VAL A 582 -1.816 9.652 -7.021 1.00 21.23 H new ATOM 0 HG23 VAL A 582 -1.294 8.239 -7.969 1.00 21.23 H new ATOM 347 N ALA A 583 0.581 7.570 -6.610 1.00 51.33 N ATOM 348 CA ALA A 583 1.723 7.004 -7.317 1.00 41.11 C ATOM 349 C ALA A 583 2.625 6.223 -6.367 1.00 73.33 C ATOM 350 O ALA A 583 3.046 5.108 -6.672 1.00 52.41 O ATOM 351 CB ALA A 583 2.512 8.103 -8.013 1.00 43.22 C ATOM 0 H ALA A 583 0.554 8.590 -6.600 1.00 51.33 H new ATOM 0 HA ALA A 583 1.345 6.312 -8.069 1.00 41.11 H new ATOM 0 HB1 ALA A 583 3.362 7.665 -8.537 1.00 43.22 H new ATOM 0 HB2 ALA A 583 1.869 8.615 -8.729 1.00 43.22 H new ATOM 0 HB3 ALA A 583 2.871 8.818 -7.273 1.00 43.22 H new ATOM 357 N GLU A 584 2.918 6.818 -5.214 1.00 73.42 N ATOM 358 CA GLU A 584 3.772 6.178 -4.220 1.00 0.04 C ATOM 359 C GLU A 584 3.051 5.008 -3.556 1.00 4.13 C ATOM 360 O GLU A 584 3.601 3.914 -3.433 1.00 71.33 O ATOM 361 CB GLU A 584 4.207 7.191 -3.160 1.00 55.42 C ATOM 362 CG GLU A 584 4.879 8.426 -3.737 1.00 61.30 C ATOM 363 CD GLU A 584 6.381 8.423 -3.528 1.00 50.00 C ATOM 364 OE1 GLU A 584 6.824 8.093 -2.408 1.00 24.34 O ATOM 365 OE2 GLU A 584 7.114 8.752 -4.484 1.00 12.12 O ATOM 0 H GLU A 584 2.577 7.741 -4.946 1.00 73.42 H new ATOM 0 HA GLU A 584 4.656 5.796 -4.730 1.00 0.04 H new ATOM 0 HB2 GLU A 584 3.334 7.498 -2.584 1.00 55.42 H new ATOM 0 HB3 GLU A 584 4.893 6.706 -2.466 1.00 55.42 H new ATOM 0 HG2 GLU A 584 4.664 8.487 -4.804 1.00 61.30 H new ATOM 0 HG3 GLU A 584 4.453 9.317 -3.275 1.00 61.30 H new ATOM 370 N VAL A 585 1.815 5.248 -3.129 1.00 62.11 N ATOM 371 CA VAL A 585 1.017 4.216 -2.478 1.00 71.24 C ATOM 372 C VAL A 585 0.920 2.966 -3.346 1.00 34.41 C ATOM 373 O VAL A 585 0.890 1.846 -2.837 1.00 13.21 O ATOM 374 CB VAL A 585 -0.403 4.720 -2.164 1.00 43.44 C ATOM 375 CG1 VAL A 585 -1.232 3.617 -1.521 1.00 20.44 C ATOM 376 CG2 VAL A 585 -0.347 5.947 -1.265 1.00 65.54 C ATOM 0 H VAL A 585 1.345 6.148 -3.222 1.00 62.11 H new ATOM 0 HA VAL A 585 1.522 3.968 -1.544 1.00 71.24 H new ATOM 0 HB VAL A 585 -0.883 5.005 -3.100 1.00 43.44 H new ATOM 0 HG11 VAL A 585 -2.233 3.992 -1.306 1.00 20.44 H new ATOM 0 HG12 VAL A 585 -1.301 2.769 -2.203 1.00 20.44 H new ATOM 0 HG13 VAL A 585 -0.757 3.299 -0.593 1.00 20.44 H new ATOM 0 HG21 VAL A 585 -1.360 6.290 -1.053 1.00 65.54 H new ATOM 0 HG22 VAL A 585 0.152 5.691 -0.330 1.00 65.54 H new ATOM 0 HG23 VAL A 585 0.207 6.741 -1.766 1.00 65.54 H new ATOM 386 N GLU A 586 0.874 3.167 -4.659 1.00 25.45 N ATOM 387 CA GLU A 586 0.781 2.055 -5.599 1.00 51.50 C ATOM 388 C GLU A 586 1.888 1.035 -5.346 1.00 72.12 C ATOM 389 O GLU A 586 1.633 -0.166 -5.260 1.00 14.33 O ATOM 390 CB GLU A 586 0.863 2.567 -7.038 1.00 2.15 C ATOM 391 CG GLU A 586 -0.491 2.904 -7.641 1.00 12.33 C ATOM 392 CD GLU A 586 -0.396 3.943 -8.742 1.00 65.11 C ATOM 393 OE1 GLU A 586 0.726 4.185 -9.233 1.00 53.32 O ATOM 394 OE2 GLU A 586 -1.443 4.514 -9.111 1.00 1.23 O ATOM 0 H GLU A 586 0.900 4.088 -5.096 1.00 25.45 H new ATOM 0 HA GLU A 586 -0.181 1.565 -5.450 1.00 51.50 H new ATOM 0 HB2 GLU A 586 1.494 3.455 -7.064 1.00 2.15 H new ATOM 0 HB3 GLU A 586 1.349 1.813 -7.656 1.00 2.15 H new ATOM 0 HG2 GLU A 586 -0.943 1.996 -8.041 1.00 12.33 H new ATOM 0 HG3 GLU A 586 -1.153 3.271 -6.857 1.00 12.33 H new ATOM 399 N ALA A 587 3.118 1.523 -5.228 1.00 54.02 N ATOM 400 CA ALA A 587 4.264 0.656 -4.985 1.00 53.34 C ATOM 401 C ALA A 587 4.088 -0.138 -3.695 1.00 3.41 C ATOM 402 O ALA A 587 4.368 -1.336 -3.648 1.00 64.34 O ATOM 403 CB ALA A 587 5.545 1.476 -4.930 1.00 55.51 C ATOM 0 H ALA A 587 3.347 2.515 -5.297 1.00 54.02 H new ATOM 0 HA ALA A 587 4.333 -0.052 -5.811 1.00 53.34 H new ATOM 0 HB1 ALA A 587 6.392 0.815 -4.748 1.00 55.51 H new ATOM 0 HB2 ALA A 587 5.686 1.994 -5.878 1.00 55.51 H new ATOM 0 HB3 ALA A 587 5.475 2.207 -4.124 1.00 55.51 H new ATOM 409 N LEU A 588 3.620 0.536 -2.650 1.00 3.00 N ATOM 410 CA LEU A 588 3.405 -0.107 -1.358 1.00 73.44 C ATOM 411 C LEU A 588 2.487 -1.317 -1.498 1.00 51.20 C ATOM 412 O LEU A 588 2.773 -2.391 -0.968 1.00 21.32 O ATOM 413 CB LEU A 588 2.808 0.889 -0.363 1.00 14.32 C ATOM 414 CG LEU A 588 2.882 0.492 1.112 1.00 35.34 C ATOM 415 CD1 LEU A 588 1.979 -0.699 1.390 1.00 31.35 C ATOM 416 CD2 LEU A 588 4.318 0.178 1.508 1.00 13.13 C ATOM 0 H LEU A 588 3.382 1.528 -2.672 1.00 3.00 H new ATOM 0 HA LEU A 588 4.371 -0.448 -0.985 1.00 73.44 H new ATOM 0 HB2 LEU A 588 3.317 1.845 -0.487 1.00 14.32 H new ATOM 0 HB3 LEU A 588 1.762 1.049 -0.623 1.00 14.32 H new ATOM 0 HG LEU A 588 2.535 1.333 1.713 1.00 35.34 H new ATOM 0 HD11 LEU A 588 2.045 -0.967 2.444 1.00 31.35 H new ATOM 0 HD12 LEU A 588 0.949 -0.440 1.145 1.00 31.35 H new ATOM 0 HD13 LEU A 588 2.295 -1.545 0.780 1.00 31.35 H new ATOM 0 HD21 LEU A 588 4.352 -0.103 2.561 1.00 13.13 H new ATOM 0 HD22 LEU A 588 4.691 -0.647 0.900 1.00 13.13 H new ATOM 0 HD23 LEU A 588 4.941 1.058 1.347 1.00 13.13 H new ATOM 427 N VAL A 589 1.383 -1.136 -2.216 1.00 71.32 N ATOM 428 CA VAL A 589 0.424 -2.213 -2.429 1.00 72.31 C ATOM 429 C VAL A 589 0.982 -3.265 -3.380 1.00 62.30 C ATOM 430 O VAL A 589 1.049 -4.447 -3.042 1.00 51.00 O ATOM 431 CB VAL A 589 -0.904 -1.678 -2.996 1.00 1.10 C ATOM 432 CG1 VAL A 589 -1.941 -2.789 -3.066 1.00 12.14 C ATOM 433 CG2 VAL A 589 -1.412 -0.516 -2.155 1.00 61.12 C ATOM 0 H VAL A 589 1.131 -0.253 -2.660 1.00 71.32 H new ATOM 0 HA VAL A 589 0.238 -2.668 -1.456 1.00 72.31 H new ATOM 0 HB VAL A 589 -0.727 -1.315 -4.008 1.00 1.10 H new ATOM 0 HG11 VAL A 589 -2.873 -2.392 -3.469 1.00 12.14 H new ATOM 0 HG12 VAL A 589 -1.576 -3.587 -3.713 1.00 12.14 H new ATOM 0 HG13 VAL A 589 -2.118 -3.185 -2.066 1.00 12.14 H new ATOM 0 HG21 VAL A 589 -2.351 -0.150 -2.570 1.00 61.12 H new ATOM 0 HG22 VAL A 589 -1.574 -0.852 -1.131 1.00 61.12 H new ATOM 0 HG23 VAL A 589 -0.675 0.287 -2.161 1.00 61.12 H new ATOM 443 N GLU A 590 1.382 -2.828 -4.569 1.00 21.24 N ATOM 444 CA GLU A 590 1.934 -3.734 -5.570 1.00 73.41 C ATOM 445 C GLU A 590 3.081 -4.554 -4.987 1.00 70.44 C ATOM 446 O GLU A 590 3.317 -5.691 -5.395 1.00 12.33 O ATOM 447 CB GLU A 590 2.423 -2.948 -6.788 1.00 1.32 C ATOM 448 CG GLU A 590 1.306 -2.535 -7.733 1.00 70.12 C ATOM 449 CD GLU A 590 0.821 -3.680 -8.600 1.00 5.23 C ATOM 450 OE1 GLU A 590 0.148 -4.586 -8.063 1.00 72.33 O ATOM 451 OE2 GLU A 590 1.115 -3.672 -9.814 1.00 44.31 O ATOM 0 H GLU A 590 1.334 -1.853 -4.863 1.00 21.24 H new ATOM 0 HA GLU A 590 1.143 -4.416 -5.881 1.00 73.41 H new ATOM 0 HB2 GLU A 590 2.948 -2.056 -6.447 1.00 1.32 H new ATOM 0 HB3 GLU A 590 3.145 -3.554 -7.335 1.00 1.32 H new ATOM 0 HG2 GLU A 590 0.470 -2.145 -7.153 1.00 70.12 H new ATOM 0 HG3 GLU A 590 1.657 -1.724 -8.372 1.00 70.12 H new ATOM 456 N ALA A 591 3.793 -3.967 -4.029 1.00 22.35 N ATOM 457 CA ALA A 591 4.915 -4.643 -3.390 1.00 44.10 C ATOM 458 C ALA A 591 4.430 -5.690 -2.393 1.00 1.53 C ATOM 459 O ALA A 591 4.886 -6.833 -2.405 1.00 41.11 O ATOM 460 CB ALA A 591 5.815 -3.630 -2.697 1.00 33.13 C ATOM 0 H ALA A 591 3.612 -3.026 -3.679 1.00 22.35 H new ATOM 0 HA ALA A 591 5.488 -5.154 -4.164 1.00 44.10 H new ATOM 0 HB1 ALA A 591 6.649 -4.148 -2.224 1.00 33.13 H new ATOM 0 HB2 ALA A 591 6.198 -2.921 -3.431 1.00 33.13 H new ATOM 0 HB3 ALA A 591 5.244 -3.094 -1.939 1.00 33.13 H new ATOM 466 N VAL A 592 3.500 -5.292 -1.530 1.00 52.25 N ATOM 467 CA VAL A 592 2.952 -6.196 -0.526 1.00 41.02 C ATOM 468 C VAL A 592 1.997 -7.204 -1.156 1.00 34.14 C ATOM 469 O VAL A 592 1.751 -8.273 -0.599 1.00 54.32 O ATOM 470 CB VAL A 592 2.207 -5.423 0.579 1.00 72.32 C ATOM 471 CG1 VAL A 592 0.885 -4.885 0.057 1.00 22.12 C ATOM 472 CG2 VAL A 592 1.988 -6.311 1.795 1.00 44.03 C ATOM 0 H VAL A 592 3.111 -4.350 -1.506 1.00 52.25 H new ATOM 0 HA VAL A 592 3.796 -6.726 -0.084 1.00 41.02 H new ATOM 0 HB VAL A 592 2.822 -4.575 0.882 1.00 72.32 H new ATOM 0 HG11 VAL A 592 0.374 -4.342 0.852 1.00 22.12 H new ATOM 0 HG12 VAL A 592 1.071 -4.212 -0.780 1.00 22.12 H new ATOM 0 HG13 VAL A 592 0.261 -5.714 -0.276 1.00 22.12 H new ATOM 0 HG21 VAL A 592 1.461 -5.749 2.566 1.00 44.03 H new ATOM 0 HG22 VAL A 592 1.395 -7.180 1.509 1.00 44.03 H new ATOM 0 HG23 VAL A 592 2.952 -6.641 2.182 1.00 44.03 H new ATOM 482 N GLU A 593 1.463 -6.855 -2.322 1.00 34.33 N ATOM 483 CA GLU A 593 0.535 -7.730 -3.030 1.00 70.15 C ATOM 484 C GLU A 593 1.266 -8.928 -3.628 1.00 4.43 C ATOM 485 O GLU A 593 0.786 -10.061 -3.560 1.00 15.40 O ATOM 486 CB GLU A 593 -0.190 -6.957 -4.133 1.00 71.23 C ATOM 487 CG GLU A 593 -1.554 -6.434 -3.716 1.00 72.41 C ATOM 488 CD GLU A 593 -2.476 -6.199 -4.897 1.00 62.44 C ATOM 489 OE1 GLU A 593 -2.219 -5.254 -5.672 1.00 61.44 O ATOM 490 OE2 GLU A 593 -3.453 -6.962 -5.046 1.00 2.14 O ATOM 0 H GLU A 593 1.657 -5.973 -2.796 1.00 34.33 H new ATOM 0 HA GLU A 593 -0.199 -8.096 -2.312 1.00 70.15 H new ATOM 0 HB2 GLU A 593 0.431 -6.118 -4.445 1.00 71.23 H new ATOM 0 HB3 GLU A 593 -0.309 -7.605 -5.001 1.00 71.23 H new ATOM 0 HG2 GLU A 593 -2.018 -7.146 -3.033 1.00 72.41 H new ATOM 0 HG3 GLU A 593 -1.429 -5.501 -3.167 1.00 72.41 H new ATOM 495 N HIS A 594 2.430 -8.671 -4.216 1.00 51.11 N ATOM 496 CA HIS A 594 3.228 -9.727 -4.828 1.00 33.11 C ATOM 497 C HIS A 594 4.064 -10.453 -3.778 1.00 55.24 C ATOM 498 O HIS A 594 4.138 -11.683 -3.770 1.00 54.24 O ATOM 499 CB HIS A 594 4.138 -9.146 -5.910 1.00 70.31 C ATOM 500 CG HIS A 594 4.489 -10.126 -6.988 1.00 53.41 C ATOM 501 ND1 HIS A 594 4.957 -11.396 -6.727 1.00 23.02 N ATOM 502 CD2 HIS A 594 4.435 -10.016 -8.336 1.00 41.31 C ATOM 503 CE1 HIS A 594 5.178 -12.025 -7.867 1.00 1.35 C ATOM 504 NE2 HIS A 594 4.868 -11.209 -8.859 1.00 21.44 N ATOM 0 H HIS A 594 2.842 -7.740 -4.282 1.00 51.11 H new ATOM 0 HA HIS A 594 2.547 -10.445 -5.285 1.00 33.11 H new ATOM 0 HB2 HIS A 594 3.648 -8.283 -6.361 1.00 70.31 H new ATOM 0 HB3 HIS A 594 5.056 -8.785 -5.446 1.00 70.31 H new ATOM 0 HD1 HIS A 594 5.109 -11.789 -5.798 1.00 23.02 H new ATOM 0 HD2 HIS A 594 4.112 -9.151 -8.896 1.00 41.31 H new ATOM 0 HE1 HIS A 594 5.549 -13.034 -7.971 1.00 1.35 H new ATOM 511 N LEU A 595 4.693 -9.684 -2.896 1.00 63.22 N ATOM 512 CA LEU A 595 5.525 -10.255 -1.841 1.00 33.11 C ATOM 513 C LEU A 595 4.669 -10.758 -0.685 1.00 44.45 C ATOM 514 O LEU A 595 5.122 -11.555 0.136 1.00 55.21 O ATOM 515 CB LEU A 595 6.526 -9.213 -1.336 1.00 1.22 C ATOM 516 CG LEU A 595 7.296 -8.445 -2.410 1.00 2.31 C ATOM 517 CD1 LEU A 595 7.806 -7.124 -1.859 1.00 75.14 C ATOM 518 CD2 LEU A 595 8.448 -9.284 -2.942 1.00 33.34 C ATOM 0 H LEU A 595 4.643 -8.665 -2.890 1.00 63.22 H new ATOM 0 HA LEU A 595 6.070 -11.102 -2.259 1.00 33.11 H new ATOM 0 HB2 LEU A 595 5.990 -8.493 -0.718 1.00 1.22 H new ATOM 0 HB3 LEU A 595 7.246 -9.714 -0.690 1.00 1.22 H new ATOM 0 HG LEU A 595 6.617 -8.232 -3.235 1.00 2.31 H new ATOM 0 HD11 LEU A 595 8.352 -6.591 -2.638 1.00 75.14 H new ATOM 0 HD12 LEU A 595 6.963 -6.518 -1.528 1.00 75.14 H new ATOM 0 HD13 LEU A 595 8.470 -7.314 -1.016 1.00 75.14 H new ATOM 0 HD21 LEU A 595 8.985 -8.722 -3.706 1.00 33.34 H new ATOM 0 HD22 LEU A 595 9.128 -9.528 -2.126 1.00 33.34 H new ATOM 0 HD23 LEU A 595 8.058 -10.204 -3.376 1.00 33.34 H new ATOM 529 N GLY A 596 3.427 -10.289 -0.626 1.00 1.21 N ATOM 530 CA GLY A 596 2.525 -10.703 0.434 1.00 22.51 C ATOM 531 C GLY A 596 2.684 -9.870 1.689 1.00 62.54 C ATOM 532 O GLY A 596 3.504 -8.953 1.736 1.00 52.32 O ATOM 0 H GLY A 596 3.028 -9.629 -1.294 1.00 1.21 H new ATOM 0 HA2 GLY A 596 1.496 -10.629 0.081 1.00 22.51 H new ATOM 0 HA3 GLY A 596 2.706 -11.751 0.672 1.00 22.51 H new ATOM 536 N THR A 597 1.896 -10.188 2.712 1.00 73.24 N ATOM 537 CA THR A 597 1.951 -9.460 3.974 1.00 42.32 C ATOM 538 C THR A 597 2.909 -10.129 4.953 1.00 60.52 C ATOM 539 O THR A 597 2.746 -10.022 6.168 1.00 33.34 O ATOM 540 CB THR A 597 0.559 -9.359 4.625 1.00 12.35 C ATOM 541 OG1 THR A 597 -0.154 -10.588 4.450 1.00 12.52 O ATOM 542 CG2 THR A 597 -0.239 -8.213 4.020 1.00 44.12 C ATOM 0 H THR A 597 1.212 -10.945 2.691 1.00 73.24 H new ATOM 0 HA THR A 597 2.311 -8.457 3.745 1.00 42.32 H new ATOM 0 HB THR A 597 0.693 -9.166 5.689 1.00 12.35 H new ATOM 0 HG1 THR A 597 -0.562 -10.605 3.559 1.00 12.52 H new ATOM 0 HG21 THR A 597 -1.219 -8.161 4.495 1.00 44.12 H new ATOM 0 HG22 THR A 597 0.292 -7.275 4.181 1.00 44.12 H new ATOM 0 HG23 THR A 597 -0.363 -8.381 2.950 1.00 44.12 H new ATOM 550 N GLY A 598 3.911 -10.819 4.416 1.00 50.30 N ATOM 551 CA GLY A 598 4.882 -11.495 5.257 1.00 54.43 C ATOM 552 C GLY A 598 6.308 -11.106 4.924 1.00 21.31 C ATOM 553 O GLY A 598 7.247 -11.516 5.607 1.00 11.20 O ATOM 0 H GLY A 598 4.068 -10.922 3.413 1.00 50.30 H new ATOM 0 HA2 GLY A 598 4.679 -11.260 6.302 1.00 54.43 H new ATOM 0 HA3 GLY A 598 4.767 -12.573 5.145 1.00 54.43 H new ATOM 557 N ARG A 599 6.473 -10.315 3.868 1.00 44.14 N ATOM 558 CA ARG A 599 7.796 -9.874 3.443 1.00 41.41 C ATOM 559 C ARG A 599 7.873 -8.351 3.397 1.00 13.25 C ATOM 560 O ARG A 599 7.768 -7.747 2.329 1.00 15.24 O ATOM 561 CB ARG A 599 8.134 -10.455 2.069 1.00 12.44 C ATOM 562 CG ARG A 599 8.955 -11.732 2.131 1.00 43.43 C ATOM 563 CD ARG A 599 10.191 -11.644 1.251 1.00 53.54 C ATOM 564 NE ARG A 599 10.208 -12.679 0.222 1.00 3.44 N ATOM 565 CZ ARG A 599 11.311 -13.086 -0.394 1.00 30.10 C ATOM 566 NH1 ARG A 599 12.483 -12.547 -0.087 1.00 2.21 N ATOM 567 NH2 ARG A 599 11.244 -14.035 -1.320 1.00 15.32 N ATOM 0 H ARG A 599 5.707 -9.967 3.292 1.00 44.14 H new ATOM 0 HA ARG A 599 8.523 -10.235 4.171 1.00 41.41 H new ATOM 0 HB2 ARG A 599 7.207 -10.655 1.531 1.00 12.44 H new ATOM 0 HB3 ARG A 599 8.682 -9.709 1.494 1.00 12.44 H new ATOM 0 HG2 ARG A 599 9.254 -11.924 3.162 1.00 43.43 H new ATOM 0 HG3 ARG A 599 8.342 -12.576 1.815 1.00 43.43 H new ATOM 0 HD2 ARG A 599 10.229 -10.663 0.778 1.00 53.54 H new ATOM 0 HD3 ARG A 599 11.083 -11.735 1.870 1.00 53.54 H new ATOM 0 HE ARG A 599 9.323 -13.114 -0.038 1.00 3.44 H new ATOM 0 HH11 ARG A 599 12.538 -11.818 0.624 1.00 2.21 H new ATOM 0 HH12 ARG A 599 13.329 -12.862 -0.562 1.00 2.21 H new ATOM 0 HH21 ARG A 599 10.344 -14.452 -1.559 1.00 15.32 H new ATOM 0 HH22 ARG A 599 12.092 -14.347 -1.793 1.00 15.32 H new ATOM 578 N TRP A 600 8.055 -7.737 4.560 1.00 61.50 N ATOM 579 CA TRP A 600 8.145 -6.284 4.652 1.00 63.13 C ATOM 580 C TRP A 600 9.441 -5.779 4.027 1.00 2.11 C ATOM 581 O TRP A 600 9.444 -4.782 3.304 1.00 51.53 O ATOM 582 CB TRP A 600 8.060 -5.839 6.113 1.00 31.43 C ATOM 583 CG TRP A 600 6.949 -6.499 6.872 1.00 13.45 C ATOM 584 CD1 TRP A 600 5.669 -6.703 6.438 1.00 72.24 C ATOM 585 CD2 TRP A 600 7.017 -7.037 8.196 1.00 44.03 C ATOM 586 NE1 TRP A 600 4.938 -7.337 7.414 1.00 74.35 N ATOM 587 CE2 TRP A 600 5.743 -7.554 8.503 1.00 14.45 C ATOM 588 CE3 TRP A 600 8.031 -7.136 9.153 1.00 34.43 C ATOM 589 CZ2 TRP A 600 5.458 -8.157 9.725 1.00 75.11 C ATOM 590 CZ3 TRP A 600 7.747 -7.734 10.366 1.00 24.34 C ATOM 591 CH2 TRP A 600 6.470 -8.240 10.642 1.00 52.22 C ATOM 0 H TRP A 600 8.143 -8.222 5.453 1.00 61.50 H new ATOM 0 HA TRP A 600 7.307 -5.856 4.101 1.00 63.13 H new ATOM 0 HB2 TRP A 600 9.007 -6.056 6.607 1.00 31.43 H new ATOM 0 HB3 TRP A 600 7.923 -4.758 6.149 1.00 31.43 H new ATOM 0 HD1 TRP A 600 5.288 -6.409 5.471 1.00 72.24 H new ATOM 0 HE1 TRP A 600 3.956 -7.603 7.340 1.00 74.35 H new ATOM 0 HE3 TRP A 600 9.019 -6.752 8.948 1.00 34.43 H new ATOM 0 HZ2 TRP A 600 4.474 -8.545 9.941 1.00 75.11 H new ATOM 0 HZ3 TRP A 600 8.522 -7.813 11.114 1.00 24.34 H new ATOM 0 HH2 TRP A 600 6.281 -8.705 11.598 1.00 52.22 H new ATOM 601 N ARG A 601 10.539 -6.471 4.310 1.00 25.41 N ATOM 602 CA ARG A 601 11.840 -6.091 3.776 1.00 22.42 C ATOM 603 C ARG A 601 11.783 -5.940 2.258 1.00 54.21 C ATOM 604 O ARG A 601 12.239 -4.938 1.707 1.00 21.14 O ATOM 605 CB ARG A 601 12.896 -7.132 4.155 1.00 52.40 C ATOM 606 CG ARG A 601 14.307 -6.573 4.220 1.00 34.54 C ATOM 607 CD ARG A 601 15.279 -7.580 4.815 1.00 42.02 C ATOM 608 NE ARG A 601 14.855 -8.033 6.137 1.00 3.55 N ATOM 609 CZ ARG A 601 15.515 -8.937 6.851 1.00 5.22 C ATOM 610 NH1 ARG A 601 16.625 -9.482 6.374 1.00 71.41 N ATOM 611 NH2 ARG A 601 15.065 -9.299 8.046 1.00 62.14 N ATOM 0 H ARG A 601 10.553 -7.298 4.907 1.00 25.41 H new ATOM 0 HA ARG A 601 12.115 -5.130 4.210 1.00 22.42 H new ATOM 0 HB2 ARG A 601 12.639 -7.561 5.124 1.00 52.40 H new ATOM 0 HB3 ARG A 601 12.869 -7.945 3.429 1.00 52.40 H new ATOM 0 HG2 ARG A 601 14.636 -6.296 3.218 1.00 34.54 H new ATOM 0 HG3 ARG A 601 14.312 -5.663 4.820 1.00 34.54 H new ATOM 0 HD2 ARG A 601 15.366 -8.438 4.148 1.00 42.02 H new ATOM 0 HD3 ARG A 601 16.269 -7.130 4.886 1.00 42.02 H new ATOM 0 HE ARG A 601 14.005 -7.633 6.534 1.00 3.55 H new ATOM 0 HH11 ARG A 601 16.974 -9.207 5.456 1.00 71.41 H new ATOM 0 HH12 ARG A 601 17.130 -10.176 6.925 1.00 71.41 H new ATOM 0 HH21 ARG A 601 14.211 -8.883 8.417 1.00 62.14 H new ATOM 0 HH22 ARG A 601 15.573 -9.994 8.593 1.00 62.14 H new ATOM 622 N ASP A 602 11.219 -6.940 1.590 1.00 71.42 N ATOM 623 CA ASP A 602 11.102 -6.918 0.137 1.00 62.00 C ATOM 624 C ASP A 602 10.145 -5.819 -0.314 1.00 21.12 C ATOM 625 O ASP A 602 10.308 -5.242 -1.389 1.00 52.41 O ATOM 626 CB ASP A 602 10.618 -8.276 -0.377 1.00 53.14 C ATOM 627 CG ASP A 602 11.755 -9.259 -0.573 1.00 72.11 C ATOM 628 OD1 ASP A 602 12.807 -9.086 0.077 1.00 34.44 O ATOM 629 OD2 ASP A 602 11.593 -10.201 -1.377 1.00 43.00 O ATOM 0 H ASP A 602 10.836 -7.776 2.031 1.00 71.42 H new ATOM 0 HA ASP A 602 12.087 -6.710 -0.280 1.00 62.00 H new ATOM 0 HB2 ASP A 602 9.899 -8.693 0.328 1.00 53.14 H new ATOM 0 HB3 ASP A 602 10.094 -8.138 -1.323 1.00 53.14 H new ATOM 633 N VAL A 603 9.145 -5.535 0.515 1.00 21.32 N ATOM 634 CA VAL A 603 8.161 -4.506 0.201 1.00 71.23 C ATOM 635 C VAL A 603 8.804 -3.124 0.169 1.00 13.24 C ATOM 636 O VAL A 603 8.431 -2.272 -0.639 1.00 63.12 O ATOM 637 CB VAL A 603 7.009 -4.500 1.224 1.00 72.41 C ATOM 638 CG1 VAL A 603 6.179 -3.233 1.087 1.00 41.11 C ATOM 639 CG2 VAL A 603 6.141 -5.737 1.055 1.00 22.34 C ATOM 0 H VAL A 603 8.995 -6.003 1.409 1.00 21.32 H new ATOM 0 HA VAL A 603 7.760 -4.741 -0.785 1.00 71.23 H new ATOM 0 HB VAL A 603 7.436 -4.518 2.227 1.00 72.41 H new ATOM 0 HG11 VAL A 603 5.370 -3.247 1.818 1.00 41.11 H new ATOM 0 HG12 VAL A 603 6.812 -2.363 1.262 1.00 41.11 H new ATOM 0 HG13 VAL A 603 5.759 -3.180 0.082 1.00 41.11 H new ATOM 0 HG21 VAL A 603 5.332 -5.717 1.785 1.00 22.34 H new ATOM 0 HG22 VAL A 603 5.721 -5.752 0.049 1.00 22.34 H new ATOM 0 HG23 VAL A 603 6.746 -6.630 1.209 1.00 22.34 H new ATOM 649 N LYS A 604 9.773 -2.907 1.051 1.00 70.20 N ATOM 650 CA LYS A 604 10.471 -1.629 1.124 1.00 31.22 C ATOM 651 C LYS A 604 11.344 -1.414 -0.109 1.00 24.33 C ATOM 652 O LYS A 604 11.331 -0.342 -0.710 1.00 32.15 O ATOM 653 CB LYS A 604 11.331 -1.565 2.387 1.00 42.15 C ATOM 654 CG LYS A 604 11.897 -0.183 2.669 1.00 5.12 C ATOM 655 CD LYS A 604 10.961 0.635 3.542 1.00 14.01 C ATOM 656 CE LYS A 604 11.612 1.933 3.993 1.00 55.13 C ATOM 657 NZ LYS A 604 11.724 2.915 2.878 1.00 24.20 N ATOM 0 H LYS A 604 10.093 -3.601 1.726 1.00 70.20 H new ATOM 0 HA LYS A 604 9.723 -0.837 1.161 1.00 31.22 H new ATOM 0 HB2 LYS A 604 10.733 -1.884 3.240 1.00 42.15 H new ATOM 0 HB3 LYS A 604 12.154 -2.273 2.292 1.00 42.15 H new ATOM 0 HG2 LYS A 604 12.865 -0.279 3.161 1.00 5.12 H new ATOM 0 HG3 LYS A 604 12.068 0.340 1.728 1.00 5.12 H new ATOM 0 HD2 LYS A 604 10.048 0.857 2.990 1.00 14.01 H new ATOM 0 HD3 LYS A 604 10.671 0.050 4.415 1.00 14.01 H new ATOM 0 HE2 LYS A 604 11.028 2.369 4.804 1.00 55.13 H new ATOM 0 HE3 LYS A 604 12.604 1.722 4.392 1.00 55.13 H new ATOM 0 HZ1 LYS A 604 11.541 3.873 3.239 1.00 24.20 H new ATOM 0 HZ2 LYS A 604 12.682 2.875 2.475 1.00 24.20 H new ATOM 0 HZ3 LYS A 604 11.028 2.684 2.141 1.00 24.20 H new ATOM 667 N MET A 605 12.098 -2.444 -0.480 1.00 13.12 N ATOM 668 CA MET A 605 12.974 -2.368 -1.643 1.00 73.34 C ATOM 669 C MET A 605 12.166 -2.390 -2.936 1.00 65.41 C ATOM 670 O MET A 605 12.563 -1.795 -3.938 1.00 14.41 O ATOM 671 CB MET A 605 13.974 -3.528 -1.633 1.00 51.43 C ATOM 672 CG MET A 605 14.847 -3.565 -0.389 1.00 62.43 C ATOM 673 SD MET A 605 16.286 -2.487 -0.518 1.00 12.10 S ATOM 674 CE MET A 605 17.593 -3.691 -0.738 1.00 32.50 C ATOM 0 H MET A 605 12.120 -3.340 0.007 1.00 13.12 H new ATOM 0 HA MET A 605 13.520 -1.426 -1.593 1.00 73.34 H new ATOM 0 HB2 MET A 605 13.428 -4.468 -1.713 1.00 51.43 H new ATOM 0 HB3 MET A 605 14.613 -3.454 -2.513 1.00 51.43 H new ATOM 0 HG2 MET A 605 14.253 -3.270 0.476 1.00 62.43 H new ATOM 0 HG3 MET A 605 15.179 -4.588 -0.213 1.00 62.43 H new ATOM 0 HE1 MET A 605 18.549 -3.177 -0.833 1.00 32.50 H new ATOM 0 HE2 MET A 605 17.623 -4.357 0.125 1.00 32.50 H new ATOM 0 HE3 MET A 605 17.403 -4.274 -1.639 1.00 32.50 H new ATOM 682 N ARG A 606 11.032 -3.082 -2.907 1.00 3.22 N ATOM 683 CA ARG A 606 10.168 -3.183 -4.078 1.00 52.43 C ATOM 684 C ARG A 606 9.365 -1.900 -4.272 1.00 35.35 C ATOM 685 O ARG A 606 9.186 -1.434 -5.398 1.00 0.21 O ATOM 686 CB ARG A 606 9.219 -4.375 -3.936 1.00 53.33 C ATOM 687 CG ARG A 606 8.043 -4.334 -4.900 1.00 62.22 C ATOM 688 CD ARG A 606 8.510 -4.308 -6.347 1.00 53.33 C ATOM 689 NE ARG A 606 9.236 -5.522 -6.710 1.00 64.02 N ATOM 690 CZ ARG A 606 9.946 -5.648 -7.825 1.00 51.32 C ATOM 691 NH1 ARG A 606 10.027 -4.638 -8.681 1.00 32.31 N ATOM 692 NH2 ARG A 606 10.578 -6.785 -8.086 1.00 72.12 N ATOM 0 H ARG A 606 10.690 -3.581 -2.086 1.00 3.22 H new ATOM 0 HA ARG A 606 10.800 -3.332 -4.954 1.00 52.43 H new ATOM 0 HB2 ARG A 606 9.779 -5.296 -4.098 1.00 53.33 H new ATOM 0 HB3 ARG A 606 8.840 -4.408 -2.915 1.00 53.33 H new ATOM 0 HG2 ARG A 606 7.407 -5.204 -4.737 1.00 62.22 H new ATOM 0 HG3 ARG A 606 7.435 -3.452 -4.697 1.00 62.22 H new ATOM 0 HD2 ARG A 606 7.648 -4.191 -7.004 1.00 53.33 H new ATOM 0 HD3 ARG A 606 9.151 -3.441 -6.505 1.00 53.33 H new ATOM 0 HE ARG A 606 9.195 -6.317 -6.072 1.00 64.02 H new ATOM 0 HH11 ARG A 606 9.543 -3.762 -8.483 1.00 32.31 H new ATOM 0 HH12 ARG A 606 10.573 -4.737 -9.537 1.00 32.31 H new ATOM 0 HH21 ARG A 606 10.519 -7.564 -7.430 1.00 72.12 H new ATOM 0 HH22 ARG A 606 11.123 -6.880 -8.943 1.00 72.12 H new ATOM 703 N ALA A 607 8.885 -1.334 -3.170 1.00 62.12 N ATOM 704 CA ALA A 607 8.103 -0.106 -3.220 1.00 55.10 C ATOM 705 C ALA A 607 9.007 1.117 -3.340 1.00 21.54 C ATOM 706 O ALA A 607 9.007 1.803 -4.362 1.00 34.32 O ATOM 707 CB ALA A 607 7.220 0.010 -1.986 1.00 24.22 C ATOM 0 H ALA A 607 9.024 -1.707 -2.231 1.00 62.12 H new ATOM 0 HA ALA A 607 7.469 -0.146 -4.105 1.00 55.10 H new ATOM 0 HB1 ALA A 607 6.642 0.933 -2.038 1.00 24.22 H new ATOM 0 HB2 ALA A 607 6.541 -0.842 -1.943 1.00 24.22 H new ATOM 0 HB3 ALA A 607 7.844 0.022 -1.092 1.00 24.22 H new ATOM 713 N PHE A 608 9.777 1.383 -2.291 1.00 20.40 N ATOM 714 CA PHE A 608 10.687 2.523 -2.279 1.00 4.12 C ATOM 715 C PHE A 608 11.864 2.290 -3.221 1.00 11.24 C ATOM 716 O PHE A 608 12.574 1.291 -3.110 1.00 24.04 O ATOM 717 CB PHE A 608 11.197 2.780 -0.859 1.00 34.43 C ATOM 718 CG PHE A 608 10.103 3.071 0.128 1.00 71.44 C ATOM 719 CD1 PHE A 608 9.373 2.039 0.696 1.00 74.14 C ATOM 720 CD2 PHE A 608 9.806 4.374 0.488 1.00 15.43 C ATOM 721 CE1 PHE A 608 8.366 2.303 1.606 1.00 20.44 C ATOM 722 CE2 PHE A 608 8.800 4.645 1.397 1.00 60.31 C ATOM 723 CZ PHE A 608 8.079 3.608 1.956 1.00 23.41 C ATOM 0 H PHE A 608 9.789 0.825 -1.437 1.00 20.40 H new ATOM 0 HA PHE A 608 10.137 3.399 -2.624 1.00 4.12 H new ATOM 0 HB2 PHE A 608 11.759 1.909 -0.520 1.00 34.43 H new ATOM 0 HB3 PHE A 608 11.891 3.620 -0.878 1.00 34.43 H new ATOM 0 HD1 PHE A 608 9.593 1.017 0.425 1.00 74.14 H new ATOM 0 HD2 PHE A 608 10.367 5.189 0.054 1.00 15.43 H new ATOM 0 HE1 PHE A 608 7.805 1.490 2.042 1.00 20.44 H new ATOM 0 HE2 PHE A 608 8.578 5.666 1.670 1.00 60.31 H new ATOM 0 HZ PHE A 608 7.292 3.817 2.666 1.00 23.41 H new ATOM 828 N TYR A 616 10.215 -1.747 8.075 1.00 13.35 N ATOM 829 CA TYR A 616 9.064 -2.639 8.004 1.00 40.02 C ATOM 830 C TYR A 616 7.819 -1.969 8.579 1.00 62.14 C ATOM 831 O TYR A 616 6.714 -2.142 8.067 1.00 4.21 O ATOM 832 CB TYR A 616 9.353 -3.938 8.758 1.00 42.25 C ATOM 833 CG TYR A 616 9.969 -3.721 10.122 1.00 64.53 C ATOM 834 CD1 TYR A 616 11.344 -3.582 10.270 1.00 14.21 C ATOM 835 CD2 TYR A 616 9.178 -3.659 11.263 1.00 74.13 C ATOM 836 CE1 TYR A 616 11.913 -3.385 11.514 1.00 23.24 C ATOM 837 CE2 TYR A 616 9.739 -3.461 12.510 1.00 52.45 C ATOM 838 CZ TYR A 616 11.106 -3.325 12.630 1.00 54.01 C ATOM 839 OH TYR A 616 11.667 -3.128 13.871 1.00 70.02 O ATOM 0 HA TYR A 616 8.878 -2.869 6.955 1.00 40.02 H new ATOM 0 HB2 TYR A 616 8.424 -4.496 8.873 1.00 42.25 H new ATOM 0 HB3 TYR A 616 10.024 -4.554 8.159 1.00 42.25 H new ATOM 0 HD1 TYR A 616 11.979 -3.629 9.398 1.00 14.21 H new ATOM 0 HD2 TYR A 616 8.107 -3.767 11.173 1.00 74.13 H new ATOM 0 HE1 TYR A 616 12.983 -3.279 11.611 1.00 23.24 H new ATOM 0 HE2 TYR A 616 9.110 -3.413 13.387 1.00 52.45 H new ATOM 0 HH TYR A 616 10.961 -3.110 14.550 1.00 70.02 H new ATOM 848 N VAL A 617 8.009 -1.202 9.649 1.00 21.13 N ATOM 849 CA VAL A 617 6.903 -0.504 10.294 1.00 42.24 C ATOM 850 C VAL A 617 6.366 0.613 9.407 1.00 43.01 C ATOM 851 O VAL A 617 5.170 0.905 9.415 1.00 30.12 O ATOM 852 CB VAL A 617 7.330 0.092 11.648 1.00 44.53 C ATOM 853 CG1 VAL A 617 8.446 1.107 11.458 1.00 50.21 C ATOM 854 CG2 VAL A 617 6.138 0.723 12.352 1.00 3.23 C ATOM 0 H VAL A 617 8.918 -1.049 10.087 1.00 21.13 H new ATOM 0 HA VAL A 617 6.117 -1.241 10.461 1.00 42.24 H new ATOM 0 HB VAL A 617 7.709 -0.714 12.276 1.00 44.53 H new ATOM 0 HG11 VAL A 617 8.734 1.517 12.426 1.00 50.21 H new ATOM 0 HG12 VAL A 617 9.307 0.620 11.000 1.00 50.21 H new ATOM 0 HG13 VAL A 617 8.099 1.913 10.812 1.00 50.21 H new ATOM 0 HG21 VAL A 617 6.458 1.139 13.307 1.00 3.23 H new ATOM 0 HG22 VAL A 617 5.727 1.518 11.730 1.00 3.23 H new ATOM 0 HG23 VAL A 617 5.374 -0.035 12.524 1.00 3.23 H new ATOM 864 N ASP A 618 7.257 1.234 8.642 1.00 24.21 N ATOM 865 CA ASP A 618 6.873 2.319 7.747 1.00 2.52 C ATOM 866 C ASP A 618 5.905 1.823 6.677 1.00 35.34 C ATOM 867 O ASP A 618 4.843 2.409 6.463 1.00 43.35 O ATOM 868 CB ASP A 618 8.111 2.930 7.090 1.00 74.51 C ATOM 869 CG ASP A 618 8.414 4.322 7.608 1.00 62.13 C ATOM 870 OD1 ASP A 618 8.680 4.458 8.820 1.00 13.42 O ATOM 871 OD2 ASP A 618 8.385 5.275 6.801 1.00 32.12 O ATOM 0 H ASP A 618 8.251 1.004 8.624 1.00 24.21 H new ATOM 0 HA ASP A 618 6.371 3.085 8.338 1.00 2.52 H new ATOM 0 HB2 ASP A 618 8.970 2.284 7.269 1.00 74.51 H new ATOM 0 HB3 ASP A 618 7.963 2.971 6.011 1.00 74.51 H new ATOM 875 N LEU A 619 6.281 0.741 6.003 1.00 64.40 N ATOM 876 CA LEU A 619 5.448 0.166 4.953 1.00 4.43 C ATOM 877 C LEU A 619 4.234 -0.543 5.547 1.00 53.11 C ATOM 878 O LEU A 619 3.135 -0.486 4.993 1.00 75.52 O ATOM 879 CB LEU A 619 6.262 -0.816 4.108 1.00 54.34 C ATOM 880 CG LEU A 619 6.957 -1.943 4.873 1.00 21.24 C ATOM 881 CD1 LEU A 619 6.059 -3.168 4.949 1.00 62.03 C ATOM 882 CD2 LEU A 619 8.285 -2.293 4.216 1.00 24.04 C ATOM 0 H LEU A 619 7.157 0.245 6.165 1.00 64.40 H new ATOM 0 HA LEU A 619 5.097 0.979 4.317 1.00 4.43 H new ATOM 0 HB2 LEU A 619 5.600 -1.262 3.366 1.00 54.34 H new ATOM 0 HB3 LEU A 619 7.019 -0.254 3.562 1.00 54.34 H new ATOM 0 HG LEU A 619 7.156 -1.599 5.888 1.00 21.24 H new ATOM 0 HD11 LEU A 619 6.570 -3.960 5.497 1.00 62.03 H new ATOM 0 HD12 LEU A 619 5.134 -2.909 5.464 1.00 62.03 H new ATOM 0 HD13 LEU A 619 5.829 -3.514 3.941 1.00 62.03 H new ATOM 0 HD21 LEU A 619 8.766 -3.097 4.773 1.00 24.04 H new ATOM 0 HD22 LEU A 619 8.109 -2.617 3.190 1.00 24.04 H new ATOM 0 HD23 LEU A 619 8.932 -1.416 4.213 1.00 24.04 H new ATOM 893 N LYS A 620 4.439 -1.208 6.678 1.00 51.12 N ATOM 894 CA LYS A 620 3.362 -1.925 7.350 1.00 41.05 C ATOM 895 C LYS A 620 2.311 -0.955 7.881 1.00 23.40 C ATOM 896 O LYS A 620 1.122 -1.269 7.910 1.00 44.03 O ATOM 897 CB LYS A 620 3.923 -2.766 8.500 1.00 10.53 C ATOM 898 CG LYS A 620 2.900 -3.700 9.124 1.00 5.23 C ATOM 899 CD LYS A 620 2.214 -3.059 10.318 1.00 44.22 C ATOM 900 CE LYS A 620 2.958 -3.353 11.612 1.00 53.30 C ATOM 901 NZ LYS A 620 2.230 -2.829 12.801 1.00 60.43 N ATOM 0 H LYS A 620 5.342 -1.266 7.149 1.00 51.12 H new ATOM 0 HA LYS A 620 2.888 -2.584 6.623 1.00 41.05 H new ATOM 0 HB2 LYS A 620 4.764 -3.354 8.133 1.00 10.53 H new ATOM 0 HB3 LYS A 620 4.312 -2.100 9.270 1.00 10.53 H new ATOM 0 HG2 LYS A 620 2.154 -3.974 8.378 1.00 5.23 H new ATOM 0 HG3 LYS A 620 3.391 -4.622 9.437 1.00 5.23 H new ATOM 0 HD2 LYS A 620 2.153 -1.981 10.169 1.00 44.22 H new ATOM 0 HD3 LYS A 620 1.191 -3.428 10.393 1.00 44.22 H new ATOM 0 HE2 LYS A 620 3.096 -4.429 11.715 1.00 53.30 H new ATOM 0 HE3 LYS A 620 3.952 -2.907 11.569 1.00 53.30 H new ATOM 0 HZ1 LYS A 620 2.769 -3.049 13.663 1.00 60.43 H new ATOM 0 HZ2 LYS A 620 2.121 -1.798 12.715 1.00 60.43 H new ATOM 0 HZ3 LYS A 620 1.291 -3.273 12.857 1.00 60.43 H new ATOM 911 N ASP A 621 2.759 0.224 8.298 1.00 3.33 N ATOM 912 CA ASP A 621 1.856 1.241 8.826 1.00 34.14 C ATOM 913 C ASP A 621 0.952 1.789 7.725 1.00 22.25 C ATOM 914 O ASP A 621 -0.265 1.869 7.888 1.00 43.40 O ATOM 915 CB ASP A 621 2.653 2.381 9.462 1.00 32.34 C ATOM 916 CG ASP A 621 1.760 3.425 10.101 1.00 72.30 C ATOM 917 OD1 ASP A 621 1.300 3.196 11.239 1.00 31.14 O ATOM 918 OD2 ASP A 621 1.519 4.472 9.463 1.00 74.23 O ATOM 0 H ASP A 621 3.741 0.499 8.281 1.00 3.33 H new ATOM 0 HA ASP A 621 1.231 0.776 9.588 1.00 34.14 H new ATOM 0 HB2 ASP A 621 3.327 1.973 10.215 1.00 32.34 H new ATOM 0 HB3 ASP A 621 3.274 2.855 8.702 1.00 32.34 H new ATOM 922 N LYS A 622 1.556 2.165 6.603 1.00 72.30 N ATOM 923 CA LYS A 622 0.808 2.706 5.474 1.00 64.23 C ATOM 924 C LYS A 622 -0.270 1.727 5.018 1.00 40.23 C ATOM 925 O LYS A 622 -1.405 2.120 4.752 1.00 1.31 O ATOM 926 CB LYS A 622 1.753 3.018 4.312 1.00 14.20 C ATOM 927 CG LYS A 622 1.422 4.314 3.591 1.00 72.53 C ATOM 928 CD LYS A 622 1.562 5.515 4.512 1.00 60.51 C ATOM 929 CE LYS A 622 2.226 6.686 3.803 1.00 24.15 C ATOM 930 NZ LYS A 622 3.684 6.757 4.096 1.00 31.10 N ATOM 0 H LYS A 622 2.563 2.105 6.451 1.00 72.30 H new ATOM 0 HA LYS A 622 0.325 3.628 5.798 1.00 64.23 H new ATOM 0 HB2 LYS A 622 2.774 3.072 4.689 1.00 14.20 H new ATOM 0 HB3 LYS A 622 1.721 2.196 3.597 1.00 14.20 H new ATOM 0 HG2 LYS A 622 2.083 4.433 2.733 1.00 72.53 H new ATOM 0 HG3 LYS A 622 0.404 4.267 3.205 1.00 72.53 H new ATOM 0 HD2 LYS A 622 0.578 5.816 4.871 1.00 60.51 H new ATOM 0 HD3 LYS A 622 2.150 5.237 5.387 1.00 60.51 H new ATOM 0 HE2 LYS A 622 2.076 6.592 2.728 1.00 24.15 H new ATOM 0 HE3 LYS A 622 1.748 7.616 4.111 1.00 24.15 H new ATOM 0 HZ1 LYS A 622 4.100 7.568 3.595 1.00 31.10 H new ATOM 0 HZ2 LYS A 622 3.827 6.872 5.120 1.00 31.10 H new ATOM 0 HZ3 LYS A 622 4.145 5.880 3.779 1.00 31.10 H new ATOM 940 N TRP A 623 0.093 0.452 4.932 1.00 12.33 N ATOM 941 CA TRP A 623 -0.844 -0.582 4.509 1.00 71.02 C ATOM 942 C TRP A 623 -1.986 -0.724 5.510 1.00 12.42 C ATOM 943 O TRP A 623 -3.154 -0.808 5.127 1.00 71.33 O ATOM 944 CB TRP A 623 -0.121 -1.920 4.349 1.00 71.41 C ATOM 945 CG TRP A 623 -1.051 -3.091 4.259 1.00 23.03 C ATOM 946 CD1 TRP A 623 -1.573 -3.806 5.300 1.00 51.43 C ATOM 947 CD2 TRP A 623 -1.568 -3.686 3.064 1.00 15.34 C ATOM 948 NE1 TRP A 623 -2.383 -4.808 4.823 1.00 10.40 N ATOM 949 CE2 TRP A 623 -2.397 -4.755 3.454 1.00 4.41 C ATOM 950 CE3 TRP A 623 -1.412 -3.418 1.701 1.00 54.44 C ATOM 951 CZ2 TRP A 623 -3.066 -5.555 2.531 1.00 52.43 C ATOM 952 CZ3 TRP A 623 -2.077 -4.212 0.786 1.00 34.33 C ATOM 953 CH2 TRP A 623 -2.896 -5.270 1.204 1.00 15.20 C ATOM 0 H TRP A 623 1.029 0.110 5.149 1.00 12.33 H new ATOM 0 HA TRP A 623 -1.263 -0.286 3.547 1.00 71.02 H new ATOM 0 HB2 TRP A 623 0.497 -1.886 3.451 1.00 71.41 H new ATOM 0 HB3 TRP A 623 0.552 -2.064 5.194 1.00 71.41 H new ATOM 0 HD1 TRP A 623 -1.378 -3.612 6.344 1.00 51.43 H new ATOM 0 HE1 TRP A 623 -2.891 -5.482 5.395 1.00 10.40 H new ATOM 0 HE3 TRP A 623 -0.783 -2.605 1.369 1.00 54.44 H new ATOM 0 HZ2 TRP A 623 -3.696 -6.371 2.851 1.00 52.43 H new ATOM 0 HZ3 TRP A 623 -1.964 -4.014 -0.270 1.00 34.33 H new ATOM 0 HH2 TRP A 623 -3.403 -5.872 0.464 1.00 15.20 H new ATOM 963 N LYS A 624 -1.642 -0.749 6.793 1.00 23.11 N ATOM 964 CA LYS A 624 -2.639 -0.879 7.850 1.00 71.21 C ATOM 965 C LYS A 624 -3.776 0.118 7.651 1.00 22.05 C ATOM 966 O LYS A 624 -4.950 -0.254 7.657 1.00 15.41 O ATOM 967 CB LYS A 624 -1.991 -0.664 9.219 1.00 73.20 C ATOM 968 CG LYS A 624 -2.659 -1.444 10.338 1.00 13.53 C ATOM 969 CD LYS A 624 -3.837 -0.681 10.923 1.00 65.43 C ATOM 970 CE LYS A 624 -4.262 -1.257 12.265 1.00 34.34 C ATOM 971 NZ LYS A 624 -3.301 -0.909 13.347 1.00 43.41 N ATOM 0 H LYS A 624 -0.680 -0.681 7.126 1.00 23.11 H new ATOM 0 HA LYS A 624 -3.052 -1.887 7.805 1.00 71.21 H new ATOM 0 HB2 LYS A 624 -0.941 -0.952 9.164 1.00 73.20 H new ATOM 0 HB3 LYS A 624 -2.018 0.398 9.462 1.00 73.20 H new ATOM 0 HG2 LYS A 624 -3.000 -2.407 9.958 1.00 13.53 H new ATOM 0 HG3 LYS A 624 -1.932 -1.651 11.123 1.00 13.53 H new ATOM 0 HD2 LYS A 624 -3.568 0.368 11.045 1.00 65.43 H new ATOM 0 HD3 LYS A 624 -4.676 -0.716 10.228 1.00 65.43 H new ATOM 0 HE2 LYS A 624 -5.252 -0.882 12.524 1.00 34.34 H new ATOM 0 HE3 LYS A 624 -4.343 -2.341 12.186 1.00 34.34 H new ATOM 0 HZ1 LYS A 624 -3.720 -1.139 14.271 1.00 43.41 H new ATOM 0 HZ2 LYS A 624 -2.423 -1.452 13.220 1.00 43.41 H new ATOM 0 HZ3 LYS A 624 -3.087 0.108 13.308 1.00 43.41 H new ATOM 981 N THR A 625 -3.421 1.387 7.474 1.00 70.44 N ATOM 982 CA THR A 625 -4.410 2.437 7.272 1.00 50.55 C ATOM 983 C THR A 625 -5.044 2.338 5.890 1.00 12.11 C ATOM 984 O THR A 625 -6.184 2.757 5.687 1.00 14.43 O ATOM 985 CB THR A 625 -3.788 3.835 7.442 1.00 54.30 C ATOM 986 OG1 THR A 625 -4.805 4.839 7.345 1.00 1.02 O ATOM 987 CG2 THR A 625 -2.721 4.083 6.386 1.00 53.31 C ATOM 0 H THR A 625 -2.454 1.712 7.467 1.00 70.44 H new ATOM 0 HA THR A 625 -5.179 2.296 8.031 1.00 50.55 H new ATOM 0 HB THR A 625 -3.322 3.885 8.426 1.00 54.30 H new ATOM 0 HG1 THR A 625 -4.401 5.725 7.456 1.00 1.02 H new ATOM 0 HG21 THR A 625 -2.295 5.077 6.525 1.00 53.31 H new ATOM 0 HG22 THR A 625 -1.934 3.335 6.481 1.00 53.31 H new ATOM 0 HG23 THR A 625 -3.168 4.016 5.394 1.00 53.31 H new ATOM 995 N LEU A 626 -4.299 1.782 4.941 1.00 62.34 N ATOM 996 CA LEU A 626 -4.788 1.628 3.576 1.00 31.43 C ATOM 997 C LEU A 626 -6.002 0.705 3.533 1.00 43.33 C ATOM 998 O LEU A 626 -7.063 1.081 3.037 1.00 2.43 O ATOM 999 CB LEU A 626 -3.681 1.074 2.676 1.00 51.22 C ATOM 1000 CG LEU A 626 -3.442 1.826 1.367 1.00 11.34 C ATOM 1001 CD1 LEU A 626 -2.341 1.158 0.560 1.00 74.23 C ATOM 1002 CD2 LEU A 626 -4.727 1.905 0.555 1.00 23.35 C ATOM 0 H LEU A 626 -3.354 1.430 5.092 1.00 62.34 H new ATOM 0 HA LEU A 626 -5.088 2.610 3.211 1.00 31.43 H new ATOM 0 HB2 LEU A 626 -2.750 1.066 3.242 1.00 51.22 H new ATOM 0 HB3 LEU A 626 -3.918 0.037 2.438 1.00 51.22 H new ATOM 0 HG LEU A 626 -3.124 2.840 1.607 1.00 11.34 H new ATOM 0 HD11 LEU A 626 -2.186 1.708 -0.368 1.00 74.23 H new ATOM 0 HD12 LEU A 626 -1.417 1.154 1.138 1.00 74.23 H new ATOM 0 HD13 LEU A 626 -2.630 0.132 0.330 1.00 74.23 H new ATOM 0 HD21 LEU A 626 -4.538 2.444 -0.374 1.00 23.35 H new ATOM 0 HD22 LEU A 626 -5.075 0.898 0.326 1.00 23.35 H new ATOM 0 HD23 LEU A 626 -5.489 2.430 1.130 1.00 23.35 H new ATOM 1013 N VAL A 627 -5.838 -0.505 4.060 1.00 70.44 N ATOM 1014 CA VAL A 627 -6.921 -1.481 4.086 1.00 53.42 C ATOM 1015 C VAL A 627 -8.118 -0.952 4.868 1.00 3.34 C ATOM 1016 O VAL A 627 -9.264 -1.080 4.432 1.00 61.25 O ATOM 1017 CB VAL A 627 -6.462 -2.813 4.709 1.00 15.21 C ATOM 1018 CG1 VAL A 627 -5.832 -2.574 6.073 1.00 23.03 C ATOM 1019 CG2 VAL A 627 -7.630 -3.781 4.813 1.00 40.01 C ATOM 0 H VAL A 627 -4.965 -0.832 4.475 1.00 70.44 H new ATOM 0 HA VAL A 627 -7.215 -1.656 3.051 1.00 53.42 H new ATOM 0 HB VAL A 627 -5.708 -3.259 4.060 1.00 15.21 H new ATOM 0 HG11 VAL A 627 -5.514 -3.526 6.498 1.00 23.03 H new ATOM 0 HG12 VAL A 627 -4.968 -1.918 5.965 1.00 23.03 H new ATOM 0 HG13 VAL A 627 -6.562 -2.107 6.734 1.00 23.03 H new ATOM 0 HG21 VAL A 627 -7.289 -4.717 5.255 1.00 40.01 H new ATOM 0 HG22 VAL A 627 -8.408 -3.346 5.440 1.00 40.01 H new ATOM 0 HG23 VAL A 627 -8.032 -3.975 3.818 1.00 40.01 H new ATOM 1029 N HIS A 628 -7.847 -0.357 6.024 1.00 54.52 N ATOM 1030 CA HIS A 628 -8.902 0.194 6.868 1.00 14.14 C ATOM 1031 C HIS A 628 -9.680 1.278 6.127 1.00 32.43 C ATOM 1032 O HIS A 628 -10.851 1.525 6.415 1.00 45.44 O ATOM 1033 CB HIS A 628 -8.310 0.765 8.156 1.00 34.23 C ATOM 1034 CG HIS A 628 -8.260 -0.222 9.282 1.00 15.14 C ATOM 1035 ND1 HIS A 628 -8.431 0.134 10.602 1.00 54.44 N ATOM 1036 CD2 HIS A 628 -8.060 -1.560 9.277 1.00 24.33 C ATOM 1037 CE1 HIS A 628 -8.336 -0.943 11.362 1.00 41.32 C ATOM 1038 NE2 HIS A 628 -8.112 -1.984 10.582 1.00 2.21 N ATOM 0 H HIS A 628 -6.905 -0.244 6.399 1.00 54.52 H new ATOM 0 HA HIS A 628 -9.589 -0.614 7.121 1.00 14.14 H new ATOM 0 HB2 HIS A 628 -7.301 1.125 7.954 1.00 34.23 H new ATOM 0 HB3 HIS A 628 -8.900 1.628 8.466 1.00 34.23 H new ATOM 0 HD2 HIS A 628 -7.891 -2.179 8.408 1.00 24.33 H new ATOM 0 HE1 HIS A 628 -8.426 -0.967 12.438 1.00 41.32 H new ATOM 0 HE2 HIS A 628 -7.996 -2.947 10.897 1.00 2.21 H new ATOM 1045 N THR A 629 -9.019 1.925 5.171 1.00 3.24 N ATOM 1046 CA THR A 629 -9.648 2.983 4.391 1.00 75.10 C ATOM 1047 C THR A 629 -10.573 2.407 3.326 1.00 22.02 C ATOM 1048 O THR A 629 -11.562 3.032 2.944 1.00 11.31 O ATOM 1049 CB THR A 629 -8.595 3.879 3.709 1.00 64.22 C ATOM 1050 OG1 THR A 629 -7.933 4.688 4.688 1.00 44.01 O ATOM 1051 CG2 THR A 629 -9.241 4.771 2.660 1.00 43.21 C ATOM 0 H THR A 629 -8.049 1.734 4.919 1.00 3.24 H new ATOM 0 HA THR A 629 -10.232 3.584 5.088 1.00 75.10 H new ATOM 0 HB THR A 629 -7.866 3.235 3.216 1.00 64.22 H new ATOM 0 HG1 THR A 629 -7.249 4.155 5.144 1.00 44.01 H new ATOM 0 HG21 THR A 629 -8.478 5.394 2.193 1.00 43.21 H new ATOM 0 HG22 THR A 629 -9.719 4.152 1.901 1.00 43.21 H new ATOM 0 HG23 THR A 629 -9.989 5.407 3.134 1.00 43.21 H new ATOM 1059 N ALA A 630 -10.247 1.209 2.850 1.00 34.30 N ATOM 1060 CA ALA A 630 -11.050 0.547 1.830 1.00 1.51 C ATOM 1061 C ALA A 630 -12.515 0.469 2.250 1.00 54.53 C ATOM 1062 O ALA A 630 -13.411 0.806 1.477 1.00 64.34 O ATOM 1063 CB ALA A 630 -10.506 -0.845 1.551 1.00 22.55 C ATOM 0 H ALA A 630 -9.432 0.677 3.155 1.00 34.30 H new ATOM 0 HA ALA A 630 -10.991 1.138 0.916 1.00 1.51 H new ATOM 0 HB1 ALA A 630 -11.116 -1.328 0.787 1.00 22.55 H new ATOM 0 HB2 ALA A 630 -9.477 -0.770 1.200 1.00 22.55 H new ATOM 0 HB3 ALA A 630 -10.535 -1.437 2.466 1.00 22.55 H new ATOM 1069 N SER A 631 -12.749 0.024 3.481 1.00 52.43 N ATOM 1070 CA SER A 631 -14.105 -0.102 4.002 1.00 12.40 C ATOM 1071 C SER A 631 -14.103 -0.800 5.359 1.00 20.22 C ATOM 1072 O SER A 631 -14.592 -1.922 5.491 1.00 4.32 O ATOM 1073 CB SER A 631 -14.983 -0.876 3.018 1.00 1.32 C ATOM 1074 OG SER A 631 -15.751 0.006 2.216 1.00 20.51 O ATOM 0 H SER A 631 -12.018 -0.255 4.135 1.00 52.43 H new ATOM 0 HA SER A 631 -14.513 0.901 4.130 1.00 12.40 H new ATOM 0 HB2 SER A 631 -14.357 -1.500 2.380 1.00 1.32 H new ATOM 0 HB3 SER A 631 -15.646 -1.545 3.566 1.00 1.32 H new ATOM 0 HG SER A 631 -15.152 0.579 1.693 1.00 20.51 H new ATOM 1079 N ILE A 632 -13.549 -0.129 6.362 1.00 11.32 N ATOM 1080 CA ILE A 632 -13.484 -0.685 7.708 1.00 0.30 C ATOM 1081 C ILE A 632 -13.985 0.319 8.742 1.00 62.43 C ATOM 1082 O ILE A 632 -15.082 0.174 9.281 1.00 32.31 O ATOM 1083 CB ILE A 632 -12.049 -1.108 8.074 1.00 10.13 C ATOM 1084 CG1 ILE A 632 -11.674 -2.400 7.346 1.00 34.41 C ATOM 1085 CG2 ILE A 632 -11.916 -1.283 9.579 1.00 23.42 C ATOM 1086 CD1 ILE A 632 -11.436 -2.211 5.863 1.00 71.33 C ATOM 0 H ILE A 632 -13.139 0.800 6.269 1.00 11.32 H new ATOM 0 HA ILE A 632 -14.127 -1.565 7.717 1.00 0.30 H new ATOM 0 HB ILE A 632 -11.362 -0.323 7.758 1.00 10.13 H new ATOM 0 HG12 ILE A 632 -10.774 -2.815 7.800 1.00 34.41 H new ATOM 0 HG13 ILE A 632 -12.470 -3.131 7.488 1.00 34.41 H new ATOM 0 HG21 ILE A 632 -10.896 -1.582 9.822 1.00 23.42 H new ATOM 0 HG22 ILE A 632 -12.146 -0.341 10.077 1.00 23.42 H new ATOM 0 HG23 ILE A 632 -12.610 -2.052 9.919 1.00 23.42 H new ATOM 0 HD11 ILE A 632 -11.174 -3.168 5.412 1.00 71.33 H new ATOM 0 HD12 ILE A 632 -12.342 -1.825 5.395 1.00 71.33 H new ATOM 0 HD13 ILE A 632 -10.620 -1.504 5.713 1.00 71.33 H new ATOM 1097 N ALA A 633 -13.174 1.335 9.013 1.00 55.40 N ATOM 1098 CA ALA A 633 -13.536 2.365 9.979 1.00 31.41 C ATOM 1099 C ALA A 633 -13.982 3.644 9.278 1.00 34.33 C ATOM 1100 O ALA A 633 -13.403 4.065 8.276 1.00 22.25 O ATOM 1101 CB ALA A 633 -12.366 2.652 10.909 1.00 32.03 C ATOM 0 H ALA A 633 -12.261 1.467 8.577 1.00 55.40 H new ATOM 0 HA ALA A 633 -14.374 1.994 10.570 1.00 31.41 H new ATOM 0 HB1 ALA A 633 -12.651 3.423 11.625 1.00 32.03 H new ATOM 0 HB2 ALA A 633 -12.095 1.742 11.444 1.00 32.03 H new ATOM 0 HB3 ALA A 633 -11.513 2.997 10.325 1.00 32.03 H new ATOM 1210 N PRO A 641 -8.685 12.261 -1.836 1.00 14.34 N ATOM 1211 CA PRO A 641 -9.444 11.169 -2.454 1.00 71.14 C ATOM 1212 C PRO A 641 -8.557 9.988 -2.830 1.00 63.12 C ATOM 1213 O PRO A 641 -7.603 10.133 -3.595 1.00 1.40 O ATOM 1214 CB PRO A 641 -10.037 11.814 -3.709 1.00 41.02 C ATOM 1215 CG PRO A 641 -9.111 12.935 -4.032 1.00 3.22 C ATOM 1216 CD PRO A 641 -8.597 13.442 -2.713 1.00 42.02 C ATOM 0 HA PRO A 641 -10.192 10.758 -1.776 1.00 71.14 H new ATOM 0 HB2 PRO A 641 -10.096 11.100 -4.531 1.00 41.02 H new ATOM 0 HB3 PRO A 641 -11.049 12.176 -3.528 1.00 41.02 H new ATOM 0 HG2 PRO A 641 -8.292 12.594 -4.665 1.00 3.22 H new ATOM 0 HG3 PRO A 641 -9.629 13.724 -4.578 1.00 3.22 H new ATOM 0 HD2 PRO A 641 -7.573 13.807 -2.794 1.00 42.02 H new ATOM 0 HD3 PRO A 641 -9.201 14.268 -2.337 1.00 42.02 H new ATOM 1221 N VAL A 642 -8.878 8.817 -2.288 1.00 62.35 N ATOM 1222 CA VAL A 642 -8.110 7.608 -2.568 1.00 55.43 C ATOM 1223 C VAL A 642 -8.745 6.803 -3.696 1.00 51.41 C ATOM 1224 O VAL A 642 -9.966 6.661 -3.779 1.00 70.53 O ATOM 1225 CB VAL A 642 -7.992 6.716 -1.319 1.00 41.23 C ATOM 1226 CG1 VAL A 642 -7.459 7.516 -0.139 1.00 20.10 C ATOM 1227 CG2 VAL A 642 -9.336 6.089 -0.984 1.00 43.42 C ATOM 0 H VAL A 642 -9.664 8.680 -1.653 1.00 62.35 H new ATOM 0 HA VAL A 642 -7.113 7.929 -2.871 1.00 55.43 H new ATOM 0 HB VAL A 642 -7.285 5.914 -1.532 1.00 41.23 H new ATOM 0 HG11 VAL A 642 -7.383 6.869 0.735 1.00 20.10 H new ATOM 0 HG12 VAL A 642 -6.474 7.913 -0.384 1.00 20.10 H new ATOM 0 HG13 VAL A 642 -8.138 8.340 0.078 1.00 20.10 H new ATOM 0 HG21 VAL A 642 -9.234 5.462 -0.098 1.00 43.42 H new ATOM 0 HG22 VAL A 642 -10.066 6.875 -0.790 1.00 43.42 H new ATOM 0 HG23 VAL A 642 -9.673 5.480 -1.823 1.00 43.42 H new ATOM 1237 N PRO A 643 -7.901 6.263 -4.586 1.00 42.14 N ATOM 1238 CA PRO A 643 -8.357 5.461 -5.724 1.00 21.45 C ATOM 1239 C PRO A 643 -8.923 4.111 -5.295 1.00 53.03 C ATOM 1240 O PRO A 643 -8.283 3.370 -4.549 1.00 55.53 O ATOM 1241 CB PRO A 643 -7.086 5.268 -6.555 1.00 33.31 C ATOM 1242 CG PRO A 643 -5.970 5.396 -5.575 1.00 13.25 C ATOM 1243 CD PRO A 643 -6.434 6.391 -4.548 1.00 13.55 C ATOM 0 HA PRO A 643 -9.167 5.949 -6.266 1.00 21.45 H new ATOM 0 HB2 PRO A 643 -7.076 4.293 -7.042 1.00 33.31 H new ATOM 0 HB3 PRO A 643 -7.010 6.018 -7.342 1.00 33.31 H new ATOM 0 HG2 PRO A 643 -5.744 4.435 -5.113 1.00 13.25 H new ATOM 0 HG3 PRO A 643 -5.058 5.737 -6.065 1.00 13.25 H new ATOM 0 HD2 PRO A 643 -6.036 6.163 -3.559 1.00 13.55 H new ATOM 0 HD3 PRO A 643 -6.113 7.403 -4.795 1.00 13.55 H new ATOM 1248 N GLN A 644 -10.123 3.800 -5.771 1.00 5.35 N ATOM 1249 CA GLN A 644 -10.774 2.540 -5.434 1.00 5.01 C ATOM 1250 C GLN A 644 -9.955 1.354 -5.935 1.00 2.32 C ATOM 1251 O GLN A 644 -10.135 0.225 -5.477 1.00 10.43 O ATOM 1252 CB GLN A 644 -12.182 2.491 -6.032 1.00 35.44 C ATOM 1253 CG GLN A 644 -12.982 1.272 -5.606 1.00 10.45 C ATOM 1254 CD GLN A 644 -14.331 1.189 -6.296 1.00 61.44 C ATOM 1255 OE1 GLN A 644 -14.793 2.157 -6.900 1.00 51.05 O ATOM 1256 NE2 GLN A 644 -14.968 0.027 -6.210 1.00 14.03 N ATOM 0 H GLN A 644 -10.664 4.402 -6.391 1.00 5.35 H new ATOM 0 HA GLN A 644 -10.846 2.477 -4.348 1.00 5.01 H new ATOM 0 HB2 GLN A 644 -12.723 3.391 -5.740 1.00 35.44 H new ATOM 0 HB3 GLN A 644 -12.106 2.504 -7.119 1.00 35.44 H new ATOM 0 HG2 GLN A 644 -12.409 0.371 -5.826 1.00 10.45 H new ATOM 0 HG3 GLN A 644 -13.131 1.299 -4.527 1.00 10.45 H new ATOM 0 HE21 GLN A 644 -14.547 -0.749 -5.699 1.00 14.03 H new ATOM 0 HE22 GLN A 644 -15.878 -0.090 -6.655 1.00 14.03 H new ATOM 1263 N ASP A 645 -9.058 1.617 -6.877 1.00 55.12 N ATOM 1264 CA ASP A 645 -8.210 0.572 -7.439 1.00 30.04 C ATOM 1265 C ASP A 645 -7.259 0.017 -6.384 1.00 22.43 C ATOM 1266 O ASP A 645 -7.051 -1.195 -6.296 1.00 54.31 O ATOM 1267 CB ASP A 645 -7.414 1.115 -8.627 1.00 5.21 C ATOM 1268 CG ASP A 645 -6.618 0.035 -9.333 1.00 62.25 C ATOM 1269 OD1 ASP A 645 -7.085 -1.122 -9.363 1.00 2.40 O ATOM 1270 OD2 ASP A 645 -5.526 0.348 -9.854 1.00 64.13 O ATOM 0 H ASP A 645 -8.898 2.545 -7.268 1.00 55.12 H new ATOM 0 HA ASP A 645 -8.854 -0.238 -7.783 1.00 30.04 H new ATOM 0 HB2 ASP A 645 -8.098 1.581 -9.337 1.00 5.21 H new ATOM 0 HB3 ASP A 645 -6.735 1.894 -8.280 1.00 5.21 H new ATOM 1274 N LEU A 646 -6.683 0.909 -5.586 1.00 34.44 N ATOM 1275 CA LEU A 646 -5.751 0.509 -4.538 1.00 44.44 C ATOM 1276 C LEU A 646 -6.493 -0.126 -3.365 1.00 31.41 C ATOM 1277 O LEU A 646 -6.120 -1.200 -2.890 1.00 61.22 O ATOM 1278 CB LEU A 646 -4.949 1.717 -4.053 1.00 13.12 C ATOM 1279 CG LEU A 646 -4.068 2.402 -5.099 1.00 1.25 C ATOM 1280 CD1 LEU A 646 -3.160 3.430 -4.443 1.00 73.21 C ATOM 1281 CD2 LEU A 646 -3.248 1.372 -5.862 1.00 41.24 C ATOM 0 H LEU A 646 -6.845 1.914 -5.645 1.00 34.44 H new ATOM 0 HA LEU A 646 -5.067 -0.229 -4.956 1.00 44.44 H new ATOM 0 HB2 LEU A 646 -5.646 2.455 -3.655 1.00 13.12 H new ATOM 0 HB3 LEU A 646 -4.315 1.398 -3.226 1.00 13.12 H new ATOM 0 HG LEU A 646 -4.714 2.920 -5.808 1.00 1.25 H new ATOM 0 HD11 LEU A 646 -2.541 3.907 -5.203 1.00 73.21 H new ATOM 0 HD12 LEU A 646 -3.767 4.185 -3.943 1.00 73.21 H new ATOM 0 HD13 LEU A 646 -2.520 2.936 -3.711 1.00 73.21 H new ATOM 0 HD21 LEU A 646 -2.627 1.877 -6.602 1.00 41.24 H new ATOM 0 HD22 LEU A 646 -2.611 0.826 -5.166 1.00 41.24 H new ATOM 0 HD23 LEU A 646 -3.917 0.674 -6.365 1.00 41.24 H new ATOM 1292 N LEU A 647 -7.544 0.542 -2.905 1.00 3.30 N ATOM 1293 CA LEU A 647 -8.340 0.041 -1.790 1.00 52.23 C ATOM 1294 C LEU A 647 -8.824 -1.380 -2.060 1.00 31.33 C ATOM 1295 O LEU A 647 -8.811 -2.231 -1.170 1.00 1.11 O ATOM 1296 CB LEU A 647 -9.537 0.960 -1.538 1.00 0.32 C ATOM 1297 CG LEU A 647 -9.208 2.376 -1.065 1.00 13.53 C ATOM 1298 CD1 LEU A 647 -10.482 3.137 -0.733 1.00 10.32 C ATOM 1299 CD2 LEU A 647 -8.281 2.333 0.140 1.00 41.04 C ATOM 0 H LEU A 647 -7.865 1.432 -3.286 1.00 3.30 H new ATOM 0 HA LEU A 647 -7.707 0.027 -0.903 1.00 52.23 H new ATOM 0 HB2 LEU A 647 -10.115 1.031 -2.459 1.00 0.32 H new ATOM 0 HB3 LEU A 647 -10.180 0.490 -0.794 1.00 0.32 H new ATOM 0 HG LEU A 647 -8.697 2.899 -1.873 1.00 13.53 H new ATOM 0 HD11 LEU A 647 -10.228 4.143 -0.398 1.00 10.32 H new ATOM 0 HD12 LEU A 647 -11.111 3.198 -1.621 1.00 10.32 H new ATOM 0 HD13 LEU A 647 -11.021 2.616 0.058 1.00 10.32 H new ATOM 0 HD21 LEU A 647 -8.057 3.350 0.463 1.00 41.04 H new ATOM 0 HD22 LEU A 647 -8.766 1.792 0.953 1.00 41.04 H new ATOM 0 HD23 LEU A 647 -7.355 1.826 -0.131 1.00 41.04 H new ATOM 1310 N ASP A 648 -9.247 -1.631 -3.294 1.00 11.42 N ATOM 1311 CA ASP A 648 -9.732 -2.950 -3.684 1.00 55.24 C ATOM 1312 C ASP A 648 -8.614 -3.985 -3.602 1.00 54.42 C ATOM 1313 O ASP A 648 -8.786 -5.053 -3.014 1.00 54.04 O ATOM 1314 CB ASP A 648 -10.304 -2.909 -5.101 1.00 34.41 C ATOM 1315 CG ASP A 648 -10.939 -4.224 -5.508 1.00 61.32 C ATOM 1316 OD1 ASP A 648 -10.212 -5.099 -6.021 1.00 21.11 O ATOM 1317 OD2 ASP A 648 -12.164 -4.377 -5.313 1.00 70.30 O ATOM 0 H ASP A 648 -9.264 -0.938 -4.042 1.00 11.42 H new ATOM 0 HA ASP A 648 -10.522 -3.239 -2.991 1.00 55.24 H new ATOM 0 HB2 ASP A 648 -11.047 -2.114 -5.167 1.00 34.41 H new ATOM 0 HB3 ASP A 648 -9.509 -2.660 -5.804 1.00 34.41 H new ATOM 1321 N ARG A 649 -7.471 -3.662 -4.197 1.00 13.03 N ATOM 1322 CA ARG A 649 -6.326 -4.564 -4.194 1.00 72.31 C ATOM 1323 C ARG A 649 -5.834 -4.813 -2.771 1.00 25.41 C ATOM 1324 O ARG A 649 -5.464 -5.933 -2.419 1.00 63.04 O ATOM 1325 CB ARG A 649 -5.192 -3.987 -5.044 1.00 1.31 C ATOM 1326 CG ARG A 649 -5.411 -4.145 -6.539 1.00 11.14 C ATOM 1327 CD ARG A 649 -5.338 -5.603 -6.963 1.00 45.31 C ATOM 1328 NE ARG A 649 -4.062 -5.926 -7.597 1.00 42.35 N ATOM 1329 CZ ARG A 649 -3.819 -7.076 -8.215 1.00 33.14 C ATOM 1330 NH1 ARG A 649 -4.760 -8.007 -8.285 1.00 43.35 N ATOM 1331 NH2 ARG A 649 -2.633 -7.296 -8.767 1.00 21.13 N ATOM 0 H ARG A 649 -7.313 -2.782 -4.688 1.00 13.03 H new ATOM 0 HA ARG A 649 -6.643 -5.515 -4.622 1.00 72.31 H new ATOM 0 HB2 ARG A 649 -5.078 -2.928 -4.812 1.00 1.31 H new ATOM 0 HB3 ARG A 649 -4.258 -4.476 -4.768 1.00 1.31 H new ATOM 0 HG2 ARG A 649 -6.384 -3.735 -6.810 1.00 11.14 H new ATOM 0 HG3 ARG A 649 -4.660 -3.570 -7.080 1.00 11.14 H new ATOM 0 HD2 ARG A 649 -5.481 -6.242 -6.091 1.00 45.31 H new ATOM 0 HD3 ARG A 649 -6.152 -5.820 -7.655 1.00 45.31 H new ATOM 0 HE ARG A 649 -3.317 -5.230 -7.563 1.00 42.35 H new ATOM 0 HH11 ARG A 649 -5.674 -7.841 -7.863 1.00 43.35 H new ATOM 0 HH12 ARG A 649 -4.570 -8.889 -8.760 1.00 43.35 H new ATOM 0 HH21 ARG A 649 -1.907 -6.582 -8.717 1.00 21.13 H new ATOM 0 HH22 ARG A 649 -2.447 -8.180 -9.241 1.00 21.13 H new ATOM 1342 N VAL A 650 -5.832 -3.762 -1.959 1.00 62.14 N ATOM 1343 CA VAL A 650 -5.386 -3.866 -0.575 1.00 52.12 C ATOM 1344 C VAL A 650 -6.216 -4.888 0.194 1.00 40.32 C ATOM 1345 O VAL A 650 -5.673 -5.785 0.841 1.00 10.33 O ATOM 1346 CB VAL A 650 -5.469 -2.507 0.146 1.00 63.23 C ATOM 1347 CG1 VAL A 650 -5.168 -2.668 1.628 1.00 25.52 C ATOM 1348 CG2 VAL A 650 -4.518 -1.507 -0.494 1.00 61.03 C ATOM 0 H VAL A 650 -6.134 -2.828 -2.235 1.00 62.14 H new ATOM 0 HA VAL A 650 -4.346 -4.192 -0.601 1.00 52.12 H new ATOM 0 HB VAL A 650 -6.485 -2.124 0.047 1.00 63.23 H new ATOM 0 HG11 VAL A 650 -5.232 -1.697 2.120 1.00 25.52 H new ATOM 0 HG12 VAL A 650 -5.892 -3.349 2.075 1.00 25.52 H new ATOM 0 HG13 VAL A 650 -4.164 -3.073 1.753 1.00 25.52 H new ATOM 0 HG21 VAL A 650 -4.589 -0.552 0.027 1.00 61.03 H new ATOM 0 HG22 VAL A 650 -3.497 -1.882 -0.427 1.00 61.03 H new ATOM 0 HG23 VAL A 650 -4.786 -1.369 -1.542 1.00 61.03 H new ATOM 1358 N LEU A 651 -7.535 -4.747 0.121 1.00 20.04 N ATOM 1359 CA LEU A 651 -8.442 -5.658 0.810 1.00 30.03 C ATOM 1360 C LEU A 651 -8.269 -7.085 0.302 1.00 64.53 C ATOM 1361 O LEU A 651 -8.556 -8.048 1.013 1.00 43.30 O ATOM 1362 CB LEU A 651 -9.891 -5.209 0.618 1.00 14.31 C ATOM 1363 CG LEU A 651 -10.418 -4.191 1.630 1.00 31.44 C ATOM 1364 CD1 LEU A 651 -11.822 -3.743 1.255 1.00 43.42 C ATOM 1365 CD2 LEU A 651 -10.400 -4.777 3.034 1.00 2.25 C ATOM 0 H LEU A 651 -8.000 -4.010 -0.409 1.00 20.04 H new ATOM 0 HA LEU A 651 -8.200 -5.638 1.873 1.00 30.03 H new ATOM 0 HB2 LEU A 651 -9.989 -4.783 -0.380 1.00 14.31 H new ATOM 0 HB3 LEU A 651 -10.531 -6.091 0.653 1.00 14.31 H new ATOM 0 HG LEU A 651 -9.764 -3.319 1.613 1.00 31.44 H new ATOM 0 HD11 LEU A 651 -12.180 -3.019 1.987 1.00 43.42 H new ATOM 0 HD12 LEU A 651 -11.805 -3.283 0.267 1.00 43.42 H new ATOM 0 HD13 LEU A 651 -12.488 -4.606 1.242 1.00 43.42 H new ATOM 0 HD21 LEU A 651 -10.778 -4.039 3.741 1.00 2.25 H new ATOM 0 HD22 LEU A 651 -11.030 -5.666 3.065 1.00 2.25 H new ATOM 0 HD23 LEU A 651 -9.379 -5.047 3.303 1.00 2.25 H new ATOM 1376 N ALA A 652 -7.794 -7.216 -0.932 1.00 15.22 N ATOM 1377 CA ALA A 652 -7.578 -8.526 -1.534 1.00 72.53 C ATOM 1378 C ALA A 652 -6.492 -9.298 -0.793 1.00 54.02 C ATOM 1379 O ALA A 652 -6.694 -10.445 -0.395 1.00 33.32 O ATOM 1380 CB ALA A 652 -7.212 -8.378 -3.004 1.00 1.53 C ATOM 0 H ALA A 652 -7.551 -6.430 -1.535 1.00 15.22 H new ATOM 0 HA ALA A 652 -8.507 -9.091 -1.457 1.00 72.53 H new ATOM 0 HB1 ALA A 652 -7.054 -9.364 -3.441 1.00 1.53 H new ATOM 0 HB2 ALA A 652 -8.021 -7.873 -3.531 1.00 1.53 H new ATOM 0 HB3 ALA A 652 -6.298 -7.790 -3.094 1.00 1.53 H new ATOM 1386 N ALA A 653 -5.340 -8.661 -0.610 1.00 63.45 N ATOM 1387 CA ALA A 653 -4.222 -9.289 0.086 1.00 35.05 C ATOM 1388 C ALA A 653 -4.498 -9.398 1.580 1.00 61.13 C ATOM 1389 O ALA A 653 -4.247 -10.436 2.193 1.00 44.54 O ATOM 1390 CB ALA A 653 -2.941 -8.506 -0.162 1.00 42.11 C ATOM 0 H ALA A 653 -5.156 -7.711 -0.933 1.00 63.45 H new ATOM 0 HA ALA A 653 -4.100 -10.298 -0.308 1.00 35.05 H new ATOM 0 HB1 ALA A 653 -2.114 -8.985 0.363 1.00 42.11 H new ATOM 0 HB2 ALA A 653 -2.729 -8.485 -1.231 1.00 42.11 H new ATOM 0 HB3 ALA A 653 -3.061 -7.486 0.204 1.00 42.11 H new ATOM 1396 N HIS A 654 -5.014 -8.321 2.164 1.00 33.21 N ATOM 1397 CA HIS A 654 -5.323 -8.296 3.588 1.00 53.03 C ATOM 1398 C HIS A 654 -6.231 -9.462 3.968 1.00 11.34 C ATOM 1399 O HIS A 654 -6.010 -10.132 4.975 1.00 63.21 O ATOM 1400 CB HIS A 654 -5.989 -6.972 3.965 1.00 3.23 C ATOM 1401 CG HIS A 654 -6.681 -7.006 5.292 1.00 3.30 C ATOM 1402 ND1 HIS A 654 -8.054 -7.039 5.425 1.00 50.40 N ATOM 1403 CD2 HIS A 654 -6.183 -7.014 6.551 1.00 1.23 C ATOM 1404 CE1 HIS A 654 -8.369 -7.064 6.708 1.00 10.43 C ATOM 1405 NE2 HIS A 654 -7.252 -7.050 7.412 1.00 40.22 N ATOM 0 H HIS A 654 -5.227 -7.453 1.672 1.00 33.21 H new ATOM 0 HA HIS A 654 -4.387 -8.393 4.139 1.00 53.03 H new ATOM 0 HB2 HIS A 654 -5.234 -6.186 3.978 1.00 3.23 H new ATOM 0 HB3 HIS A 654 -6.712 -6.706 3.194 1.00 3.23 H new ATOM 0 HD2 HIS A 654 -5.139 -6.996 6.827 1.00 1.23 H new ATOM 0 HE1 HIS A 654 -9.370 -7.091 7.112 1.00 10.43 H new ATOM 0 HE2 HIS A 654 -7.193 -7.064 8.430 1.00 40.22 H new ATOM 1412 N ALA A 655 -7.255 -9.698 3.152 1.00 60.02 N ATOM 1413 CA ALA A 655 -8.196 -10.783 3.401 1.00 54.14 C ATOM 1414 C ALA A 655 -7.600 -12.128 3.001 1.00 21.35 C ATOM 1415 O ALA A 655 -7.674 -13.100 3.753 1.00 23.42 O ATOM 1416 CB ALA A 655 -9.497 -10.536 2.654 1.00 53.14 C ATOM 0 H ALA A 655 -7.453 -9.152 2.313 1.00 60.02 H new ATOM 0 HA ALA A 655 -8.405 -10.811 4.470 1.00 54.14 H new ATOM 0 HB1 ALA A 655 -10.190 -11.354 2.850 1.00 53.14 H new ATOM 0 HB2 ALA A 655 -9.938 -9.598 2.992 1.00 53.14 H new ATOM 0 HB3 ALA A 655 -9.297 -10.478 1.584 1.00 53.14 H new ATOM 1422 N TYR A 656 -7.011 -12.178 1.811 1.00 0.34 N ATOM 1423 CA TYR A 656 -6.406 -13.406 1.308 1.00 74.43 C ATOM 1424 C TYR A 656 -5.398 -13.965 2.308 1.00 44.13 C ATOM 1425 O TYR A 656 -5.443 -15.144 2.658 1.00 21.24 O ATOM 1426 CB TYR A 656 -5.720 -13.149 -0.035 1.00 53.22 C ATOM 1427 CG TYR A 656 -4.923 -14.328 -0.543 1.00 61.23 C ATOM 1428 CD1 TYR A 656 -5.539 -15.358 -1.243 1.00 21.51 C ATOM 1429 CD2 TYR A 656 -3.554 -14.413 -0.324 1.00 72.23 C ATOM 1430 CE1 TYR A 656 -4.814 -16.439 -1.708 1.00 15.53 C ATOM 1431 CE2 TYR A 656 -2.821 -15.488 -0.788 1.00 70.14 C ATOM 1432 CZ TYR A 656 -3.455 -16.499 -1.479 1.00 3.51 C ATOM 1433 OH TYR A 656 -2.730 -17.572 -1.942 1.00 4.51 O ATOM 0 H TYR A 656 -6.940 -11.382 1.177 1.00 0.34 H new ATOM 0 HA TYR A 656 -7.199 -14.141 1.168 1.00 74.43 H new ATOM 0 HB2 TYR A 656 -6.476 -12.886 -0.775 1.00 53.22 H new ATOM 0 HB3 TYR A 656 -5.058 -12.289 0.064 1.00 53.22 H new ATOM 0 HD1 TYR A 656 -6.602 -15.313 -1.427 1.00 21.51 H new ATOM 0 HD2 TYR A 656 -3.054 -13.625 0.219 1.00 72.23 H new ATOM 0 HE1 TYR A 656 -5.309 -17.233 -2.248 1.00 15.53 H new ATOM 0 HE2 TYR A 656 -1.757 -15.536 -0.610 1.00 70.14 H new ATOM 0 HH TYR A 656 -1.788 -17.460 -1.698 1.00 4.51 H new ATOM 1442 N TRP A 657 -4.491 -13.110 2.765 1.00 12.13 N ATOM 1443 CA TRP A 657 -3.472 -13.517 3.725 1.00 52.04 C ATOM 1444 C TRP A 657 -4.086 -13.767 5.097 1.00 62.32 C ATOM 1445 O TRP A 657 -3.625 -14.629 5.846 1.00 52.44 O ATOM 1446 CB TRP A 657 -2.382 -12.447 3.827 1.00 65.12 C ATOM 1447 CG TRP A 657 -1.581 -12.294 2.571 1.00 35.20 C ATOM 1448 CD1 TRP A 657 -1.474 -11.172 1.799 1.00 12.40 C ATOM 1449 CD2 TRP A 657 -0.776 -13.295 1.939 1.00 65.23 C ATOM 1450 NE1 TRP A 657 -0.652 -11.416 0.726 1.00 22.13 N ATOM 1451 CE2 TRP A 657 -0.210 -12.711 0.789 1.00 14.03 C ATOM 1452 CE3 TRP A 657 -0.477 -14.628 2.234 1.00 33.30 C ATOM 1453 CZ2 TRP A 657 0.636 -13.415 -0.064 1.00 52.14 C ATOM 1454 CZ3 TRP A 657 0.363 -15.325 1.386 1.00 63.14 C ATOM 1455 CH2 TRP A 657 0.912 -14.718 0.249 1.00 42.24 C ATOM 0 H TRP A 657 -4.440 -12.130 2.486 1.00 12.13 H new ATOM 0 HA TRP A 657 -3.027 -14.447 3.372 1.00 52.04 H new ATOM 0 HB2 TRP A 657 -2.844 -11.491 4.074 1.00 65.12 H new ATOM 0 HB3 TRP A 657 -1.711 -12.699 4.649 1.00 65.12 H new ATOM 0 HD1 TRP A 657 -1.964 -10.231 2.003 1.00 12.40 H new ATOM 0 HE1 TRP A 657 -0.410 -10.742 -0.000 1.00 22.13 H new ATOM 0 HE3 TRP A 657 -0.895 -15.105 3.108 1.00 33.30 H new ATOM 0 HZ2 TRP A 657 1.059 -12.949 -0.942 1.00 52.14 H new ATOM 0 HZ3 TRP A 657 0.600 -16.356 1.604 1.00 63.14 H new ATOM 0 HH2 TRP A 657 1.566 -15.290 -0.393 1.00 42.24 H new ATOM 1465 N SER A 658 -5.129 -13.009 5.422 1.00 23.21 N ATOM 1466 CA SER A 658 -5.805 -13.148 6.707 1.00 71.44 C ATOM 1467 C SER A 658 -6.292 -14.579 6.913 1.00 14.34 C ATOM 1468 O SER A 658 -6.286 -15.092 8.031 1.00 23.13 O ATOM 1469 CB SER A 658 -6.984 -12.178 6.795 1.00 75.31 C ATOM 1470 OG SER A 658 -7.955 -12.636 7.718 1.00 24.31 O ATOM 0 H SER A 658 -5.524 -12.292 4.813 1.00 23.21 H new ATOM 0 HA SER A 658 -5.089 -12.910 7.494 1.00 71.44 H new ATOM 0 HB2 SER A 658 -6.627 -11.194 7.097 1.00 75.31 H new ATOM 0 HB3 SER A 658 -7.439 -12.064 5.811 1.00 75.31 H new ATOM 0 HG SER A 658 -8.697 -11.997 7.756 1.00 24.31 H new ATOM 1475 N GLN A 659 -6.714 -15.216 5.825 1.00 4.11 N ATOM 1476 CA GLN A 659 -7.206 -16.587 5.885 1.00 42.51 C ATOM 1477 C GLN A 659 -6.150 -17.519 6.470 1.00 33.10 C ATOM 1478 O GLN A 659 -6.475 -18.558 7.043 1.00 5.14 O ATOM 1479 CB GLN A 659 -7.613 -17.068 4.492 1.00 72.30 C ATOM 1480 CG GLN A 659 -9.021 -16.656 4.093 1.00 14.11 C ATOM 1481 CD GLN A 659 -9.678 -17.654 3.159 1.00 51.23 C ATOM 1482 OE1 GLN A 659 -9.016 -18.532 2.604 1.00 55.51 O ATOM 1483 NE2 GLN A 659 -10.988 -17.525 2.982 1.00 32.10 N ATOM 0 H GLN A 659 -6.725 -14.804 4.892 1.00 4.11 H new ATOM 0 HA GLN A 659 -8.080 -16.604 6.536 1.00 42.51 H new ATOM 0 HB2 GLN A 659 -6.907 -16.675 3.760 1.00 72.30 H new ATOM 0 HB3 GLN A 659 -7.537 -18.155 4.456 1.00 72.30 H new ATOM 0 HG2 GLN A 659 -9.631 -16.547 4.989 1.00 14.11 H new ATOM 0 HG3 GLN A 659 -8.987 -15.680 3.610 1.00 14.11 H new ATOM 0 HE21 GLN A 659 -11.497 -16.783 3.462 1.00 32.10 H new ATOM 0 HE22 GLN A 659 -11.485 -18.168 2.366 1.00 32.10 H new