USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=10 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 Set 1.1: A 625 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 629 THR OG1 : rot 94:sc= 1.24 USER MOD Single : A 581 SER OG : rot 43:sc= 0.632 USER MOD Single : A 594 HIS : no HD1:sc= -0.0053 X(o=-0.0053,f=0) USER MOD Single : A 597 THR OG1 : rot 180:sc= 0.0578 USER MOD Single : A 604 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.0767) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 628 HIS : no HD1:sc= -0.268 K(o=-0.27,f=-1.6) USER MOD Single : A 631 SER OG : rot 67:sc= 1.14 USER MOD Single : A 644 GLN : amide:sc= -0.0014 X(o=-0.0014,f=-0.048) USER MOD Single : A 654 HIS : no HE2:sc= -11.5! C(o=-11!,f=-13!) 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= -0.127 K(o=-0.13,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 321 N SER A 581 1.104 10.144 -2.924 1.00 55.52 N ATOM 322 CA SER A 581 0.137 10.328 -3.999 1.00 42.23 C ATOM 323 C SER A 581 -0.383 8.984 -4.499 1.00 24.34 C ATOM 324 O SER A 581 0.143 7.930 -4.140 1.00 24.13 O ATOM 325 CB SER A 581 0.769 11.105 -5.156 1.00 42.34 C ATOM 326 OG SER A 581 1.690 12.071 -4.678 1.00 24.35 O ATOM 0 HA SER A 581 -0.703 10.899 -3.603 1.00 42.23 H new ATOM 0 HB2 SER A 581 1.278 10.414 -5.828 1.00 42.34 H new ATOM 0 HB3 SER A 581 -0.011 11.597 -5.737 1.00 42.34 H new ATOM 0 HG SER A 581 2.232 11.680 -3.961 1.00 24.35 H new ATOM 331 N VAL A 582 -1.420 9.028 -5.330 1.00 72.21 N ATOM 332 CA VAL A 582 -2.010 7.815 -5.880 1.00 5.41 C ATOM 333 C VAL A 582 -0.947 6.922 -6.510 1.00 31.10 C ATOM 334 O VAL A 582 -0.974 5.702 -6.353 1.00 5.34 O ATOM 335 CB VAL A 582 -3.082 8.142 -6.938 1.00 61.10 C ATOM 336 CG1 VAL A 582 -3.656 6.865 -7.530 1.00 23.33 C ATOM 337 CG2 VAL A 582 -4.183 9.000 -6.333 1.00 73.33 C ATOM 0 H VAL A 582 -1.868 9.891 -5.637 1.00 72.21 H new ATOM 0 HA VAL A 582 -2.478 7.287 -5.049 1.00 5.41 H new ATOM 0 HB VAL A 582 -2.612 8.708 -7.743 1.00 61.10 H new ATOM 0 HG11 VAL A 582 -4.411 7.117 -8.275 1.00 23.33 H new ATOM 0 HG12 VAL A 582 -2.858 6.292 -8.002 1.00 23.33 H new ATOM 0 HG13 VAL A 582 -4.111 6.270 -6.739 1.00 23.33 H new ATOM 0 HG21 VAL A 582 -4.931 9.221 -7.094 1.00 73.33 H new ATOM 0 HG22 VAL A 582 -4.652 8.462 -5.509 1.00 73.33 H new ATOM 0 HG23 VAL A 582 -3.756 9.932 -5.962 1.00 73.33 H new ATOM 347 N ALA A 583 -0.010 7.540 -7.222 1.00 62.43 N ATOM 348 CA ALA A 583 1.064 6.801 -7.873 1.00 75.00 C ATOM 349 C ALA A 583 2.045 6.241 -6.848 1.00 24.13 C ATOM 350 O ALA A 583 2.639 5.184 -7.058 1.00 23.25 O ATOM 351 CB ALA A 583 1.792 7.694 -8.867 1.00 12.04 C ATOM 0 H ALA A 583 0.027 8.550 -7.362 1.00 62.43 H new ATOM 0 HA ALA A 583 0.620 5.963 -8.410 1.00 75.00 H new ATOM 0 HB1 ALA A 583 2.592 7.129 -9.346 1.00 12.04 H new ATOM 0 HB2 ALA A 583 1.090 8.043 -9.625 1.00 12.04 H new ATOM 0 HB3 ALA A 583 2.216 8.551 -8.344 1.00 12.04 H new ATOM 357 N GLU A 584 2.209 6.956 -5.739 1.00 22.35 N ATOM 358 CA GLU A 584 3.119 6.529 -4.684 1.00 63.12 C ATOM 359 C GLU A 584 2.523 5.371 -3.887 1.00 34.21 C ATOM 360 O GLU A 584 3.133 4.309 -3.763 1.00 55.12 O ATOM 361 CB GLU A 584 3.434 7.698 -3.747 1.00 24.02 C ATOM 362 CG GLU A 584 3.980 8.921 -4.463 1.00 21.30 C ATOM 363 CD GLU A 584 4.671 9.887 -3.522 1.00 34.02 C ATOM 364 OE1 GLU A 584 5.728 9.520 -2.966 1.00 1.10 O ATOM 365 OE2 GLU A 584 4.157 11.011 -3.340 1.00 33.53 O ATOM 0 H GLU A 584 1.724 7.833 -5.549 1.00 22.35 H new ATOM 0 HA GLU A 584 4.043 6.189 -5.152 1.00 63.12 H new ATOM 0 HB2 GLU A 584 2.527 7.976 -3.210 1.00 24.02 H new ATOM 0 HB3 GLU A 584 4.158 7.370 -3.001 1.00 24.02 H new ATOM 0 HG2 GLU A 584 4.684 8.603 -5.232 1.00 21.30 H new ATOM 0 HG3 GLU A 584 3.164 9.435 -4.970 1.00 21.30 H new ATOM 370 N VAL A 585 1.327 5.584 -3.349 1.00 52.41 N ATOM 371 CA VAL A 585 0.647 4.560 -2.565 1.00 34.54 C ATOM 372 C VAL A 585 0.515 3.262 -3.354 1.00 2.34 C ATOM 373 O VAL A 585 0.574 2.172 -2.788 1.00 65.52 O ATOM 374 CB VAL A 585 -0.754 5.026 -2.126 1.00 33.32 C ATOM 375 CG1 VAL A 585 -1.474 3.917 -1.374 1.00 3.55 C ATOM 376 CG2 VAL A 585 -0.654 6.282 -1.273 1.00 32.02 C ATOM 0 H VAL A 585 0.808 6.457 -3.442 1.00 52.41 H new ATOM 0 HA VAL A 585 1.256 4.383 -1.679 1.00 34.54 H new ATOM 0 HB VAL A 585 -1.335 5.265 -3.017 1.00 33.32 H new ATOM 0 HG11 VAL A 585 -2.462 4.264 -1.072 1.00 3.55 H new ATOM 0 HG12 VAL A 585 -1.578 3.046 -2.021 1.00 3.55 H new ATOM 0 HG13 VAL A 585 -0.899 3.645 -0.489 1.00 3.55 H new ATOM 0 HG21 VAL A 585 -1.653 6.598 -0.972 1.00 32.02 H new ATOM 0 HG22 VAL A 585 -0.056 6.073 -0.386 1.00 32.02 H new ATOM 0 HG23 VAL A 585 -0.181 7.077 -1.850 1.00 32.02 H new ATOM 386 N GLU A 586 0.336 3.388 -4.665 1.00 4.41 N ATOM 387 CA GLU A 586 0.195 2.224 -5.532 1.00 13.31 C ATOM 388 C GLU A 586 1.331 1.232 -5.300 1.00 53.43 C ATOM 389 O GLU A 586 1.153 0.024 -5.443 1.00 44.11 O ATOM 390 CB GLU A 586 0.170 2.654 -7.000 1.00 22.32 C ATOM 391 CG GLU A 586 1.520 2.540 -7.691 1.00 42.24 C ATOM 392 CD GLU A 586 1.567 3.294 -9.005 1.00 1.34 C ATOM 393 OE1 GLU A 586 0.492 3.514 -9.601 1.00 3.13 O ATOM 394 OE2 GLU A 586 2.679 3.662 -9.439 1.00 42.42 O ATOM 0 H GLU A 586 0.285 4.284 -5.150 1.00 4.41 H new ATOM 0 HA GLU A 586 -0.748 1.734 -5.289 1.00 13.31 H new ATOM 0 HB2 GLU A 586 -0.556 2.043 -7.536 1.00 22.32 H new ATOM 0 HB3 GLU A 586 -0.174 3.686 -7.062 1.00 22.32 H new ATOM 0 HG2 GLU A 586 2.297 2.923 -7.029 1.00 42.24 H new ATOM 0 HG3 GLU A 586 1.744 1.489 -7.871 1.00 42.24 H new ATOM 399 N ALA A 587 2.500 1.754 -4.942 1.00 61.11 N ATOM 400 CA ALA A 587 3.665 0.915 -4.688 1.00 40.41 C ATOM 401 C ALA A 587 3.481 0.089 -3.420 1.00 31.41 C ATOM 402 O ALA A 587 3.776 -1.107 -3.398 1.00 61.42 O ATOM 403 CB ALA A 587 4.919 1.771 -4.585 1.00 14.44 C ATOM 0 H ALA A 587 2.665 2.753 -4.821 1.00 61.11 H new ATOM 0 HA ALA A 587 3.776 0.226 -5.526 1.00 40.41 H new ATOM 0 HB1 ALA A 587 5.781 1.132 -4.395 1.00 14.44 H new ATOM 0 HB2 ALA A 587 5.067 2.313 -5.519 1.00 14.44 H new ATOM 0 HB3 ALA A 587 4.808 2.482 -3.767 1.00 14.44 H new ATOM 409 N LEU A 588 2.994 0.733 -2.365 1.00 12.44 N ATOM 410 CA LEU A 588 2.771 0.057 -1.092 1.00 24.30 C ATOM 411 C LEU A 588 1.911 -1.189 -1.280 1.00 43.43 C ATOM 412 O LEU A 588 2.268 -2.277 -0.828 1.00 13.03 O ATOM 413 CB LEU A 588 2.102 1.008 -0.097 1.00 33.12 C ATOM 414 CG LEU A 588 2.407 0.757 1.380 1.00 20.22 C ATOM 415 CD1 LEU A 588 2.241 -0.717 1.716 1.00 72.22 C ATOM 416 CD2 LEU A 588 3.813 1.230 1.722 1.00 2.20 C ATOM 0 H LEU A 588 2.746 1.722 -2.366 1.00 12.44 H new ATOM 0 HA LEU A 588 3.740 -0.249 -0.697 1.00 24.30 H new ATOM 0 HB2 LEU A 588 2.402 2.027 -0.341 1.00 33.12 H new ATOM 0 HB3 LEU A 588 1.023 0.951 -0.239 1.00 33.12 H new ATOM 0 HG LEU A 588 1.698 1.327 1.980 1.00 20.22 H new ATOM 0 HD11 LEU A 588 2.462 -0.877 2.771 1.00 72.22 H new ATOM 0 HD12 LEU A 588 1.216 -1.024 1.510 1.00 72.22 H new ATOM 0 HD13 LEU A 588 2.926 -1.308 1.108 1.00 72.22 H new ATOM 0 HD21 LEU A 588 4.013 1.044 2.777 1.00 2.20 H new ATOM 0 HD22 LEU A 588 4.537 0.688 1.114 1.00 2.20 H new ATOM 0 HD23 LEU A 588 3.897 2.298 1.520 1.00 2.20 H new ATOM 427 N VAL A 589 0.775 -1.022 -1.950 1.00 13.33 N ATOM 428 CA VAL A 589 -0.135 -2.133 -2.201 1.00 11.23 C ATOM 429 C VAL A 589 0.446 -3.097 -3.230 1.00 10.43 C ATOM 430 O VAL A 589 0.378 -4.314 -3.062 1.00 43.15 O ATOM 431 CB VAL A 589 -1.506 -1.635 -2.696 1.00 21.12 C ATOM 432 CG1 VAL A 589 -1.347 -0.796 -3.954 1.00 75.12 C ATOM 433 CG2 VAL A 589 -2.440 -2.809 -2.943 1.00 3.52 C ATOM 0 H VAL A 589 0.463 -0.128 -2.329 1.00 13.33 H new ATOM 0 HA VAL A 589 -0.267 -2.654 -1.253 1.00 11.23 H new ATOM 0 HB VAL A 589 -1.946 -1.006 -1.922 1.00 21.12 H new ATOM 0 HG11 VAL A 589 -2.326 -0.453 -4.289 1.00 75.12 H new ATOM 0 HG12 VAL A 589 -0.715 0.066 -3.739 1.00 75.12 H new ATOM 0 HG13 VAL A 589 -0.886 -1.398 -4.737 1.00 75.12 H new ATOM 0 HG21 VAL A 589 -3.404 -2.440 -3.292 1.00 3.52 H new ATOM 0 HG22 VAL A 589 -2.008 -3.465 -3.698 1.00 3.52 H new ATOM 0 HG23 VAL A 589 -2.579 -3.365 -2.016 1.00 3.52 H new ATOM 443 N GLU A 590 1.016 -2.544 -4.296 1.00 51.14 N ATOM 444 CA GLU A 590 1.608 -3.356 -5.352 1.00 13.03 C ATOM 445 C GLU A 590 2.606 -4.355 -4.776 1.00 63.44 C ATOM 446 O GLU A 590 2.575 -5.540 -5.107 1.00 31.21 O ATOM 447 CB GLU A 590 2.302 -2.463 -6.384 1.00 62.31 C ATOM 448 CG GLU A 590 1.382 -1.991 -7.496 1.00 12.32 C ATOM 449 CD GLU A 590 2.058 -1.011 -8.436 1.00 73.42 C ATOM 450 OE1 GLU A 590 3.162 -0.533 -8.101 1.00 73.11 O ATOM 451 OE2 GLU A 590 1.483 -0.721 -9.506 1.00 62.10 O ATOM 0 H GLU A 590 1.080 -1.538 -4.451 1.00 51.14 H new ATOM 0 HA GLU A 590 0.807 -3.910 -5.841 1.00 13.03 H new ATOM 0 HB2 GLU A 590 2.721 -1.594 -5.877 1.00 62.31 H new ATOM 0 HB3 GLU A 590 3.137 -3.010 -6.822 1.00 62.31 H new ATOM 0 HG2 GLU A 590 1.034 -2.853 -8.065 1.00 12.32 H new ATOM 0 HG3 GLU A 590 0.501 -1.521 -7.059 1.00 12.32 H new ATOM 456 N ALA A 591 3.490 -3.869 -3.911 1.00 64.11 N ATOM 457 CA ALA A 591 4.496 -4.719 -3.287 1.00 42.23 C ATOM 458 C ALA A 591 3.857 -5.701 -2.311 1.00 3.45 C ATOM 459 O ALA A 591 4.323 -6.829 -2.155 1.00 65.50 O ATOM 460 CB ALA A 591 5.538 -3.870 -2.575 1.00 52.54 C ATOM 0 H ALA A 591 3.530 -2.890 -3.626 1.00 64.11 H new ATOM 0 HA ALA A 591 4.986 -5.294 -4.073 1.00 42.23 H new ATOM 0 HB1 ALA A 591 6.283 -4.519 -2.114 1.00 52.54 H new ATOM 0 HB2 ALA A 591 6.025 -3.213 -3.295 1.00 52.54 H new ATOM 0 HB3 ALA A 591 5.054 -3.269 -1.805 1.00 52.54 H new ATOM 466 N VAL A 592 2.785 -5.265 -1.656 1.00 21.02 N ATOM 467 CA VAL A 592 2.080 -6.106 -0.696 1.00 72.04 C ATOM 468 C VAL A 592 1.251 -7.171 -1.403 1.00 21.04 C ATOM 469 O VAL A 592 0.979 -8.232 -0.842 1.00 25.45 O ATOM 470 CB VAL A 592 1.157 -5.270 0.211 1.00 35.40 C ATOM 471 CG1 VAL A 592 0.196 -6.172 0.970 1.00 32.32 C ATOM 472 CG2 VAL A 592 1.979 -4.423 1.171 1.00 65.32 C ATOM 0 H VAL A 592 2.386 -4.334 -1.773 1.00 21.02 H new ATOM 0 HA VAL A 592 2.839 -6.590 -0.082 1.00 72.04 H new ATOM 0 HB VAL A 592 0.569 -4.599 -0.416 1.00 35.40 H new ATOM 0 HG11 VAL A 592 -0.448 -5.564 1.606 1.00 32.32 H new ATOM 0 HG12 VAL A 592 -0.416 -6.730 0.261 1.00 32.32 H new ATOM 0 HG13 VAL A 592 0.762 -6.869 1.588 1.00 32.32 H new ATOM 0 HG21 VAL A 592 1.311 -3.839 1.804 1.00 65.32 H new ATOM 0 HG22 VAL A 592 2.594 -5.072 1.794 1.00 65.32 H new ATOM 0 HG23 VAL A 592 2.622 -3.750 0.603 1.00 65.32 H new ATOM 482 N GLU A 593 0.853 -6.881 -2.637 1.00 2.15 N ATOM 483 CA GLU A 593 0.054 -7.816 -3.422 1.00 40.44 C ATOM 484 C GLU A 593 0.905 -8.985 -3.907 1.00 65.42 C ATOM 485 O GLU A 593 0.460 -10.134 -3.908 1.00 4.10 O ATOM 486 CB GLU A 593 -0.580 -7.102 -4.617 1.00 53.13 C ATOM 487 CG GLU A 593 -2.097 -7.044 -4.558 1.00 31.41 C ATOM 488 CD GLU A 593 -2.754 -8.131 -5.388 1.00 51.12 C ATOM 489 OE1 GLU A 593 -2.052 -9.089 -5.776 1.00 51.53 O ATOM 490 OE2 GLU A 593 -3.971 -8.024 -5.647 1.00 35.21 O ATOM 0 H GLU A 593 1.070 -6.007 -3.115 1.00 2.15 H new ATOM 0 HA GLU A 593 -0.736 -8.206 -2.780 1.00 40.44 H new ATOM 0 HB2 GLU A 593 -0.188 -6.086 -4.672 1.00 53.13 H new ATOM 0 HB3 GLU A 593 -0.280 -7.610 -5.534 1.00 53.13 H new ATOM 0 HG2 GLU A 593 -2.421 -7.138 -3.521 1.00 31.41 H new ATOM 0 HG3 GLU A 593 -2.434 -6.069 -4.910 1.00 31.41 H new ATOM 495 N HIS A 594 2.133 -8.687 -4.317 1.00 15.34 N ATOM 496 CA HIS A 594 3.048 -9.712 -4.804 1.00 32.42 C ATOM 497 C HIS A 594 3.807 -10.358 -3.649 1.00 50.41 C ATOM 498 O HIS A 594 3.912 -11.582 -3.568 1.00 5.31 O ATOM 499 CB HIS A 594 4.036 -9.112 -5.805 1.00 60.01 C ATOM 500 CG HIS A 594 3.387 -8.610 -7.059 1.00 34.42 C ATOM 501 ND1 HIS A 594 4.001 -7.726 -7.921 1.00 44.52 N ATOM 502 CD2 HIS A 594 2.173 -8.875 -7.595 1.00 1.02 C ATOM 503 CE1 HIS A 594 3.191 -7.468 -8.933 1.00 71.30 C ATOM 504 NE2 HIS A 594 2.075 -8.153 -8.759 1.00 41.12 N ATOM 0 H HIS A 594 2.518 -7.742 -4.322 1.00 15.34 H new ATOM 0 HA HIS A 594 2.458 -10.481 -5.303 1.00 32.42 H new ATOM 0 HB2 HIS A 594 4.570 -8.290 -5.328 1.00 60.01 H new ATOM 0 HB3 HIS A 594 4.779 -9.866 -6.067 1.00 60.01 H new ATOM 0 HD2 HIS A 594 1.421 -9.532 -7.184 1.00 1.02 H new ATOM 0 HE1 HIS A 594 3.405 -6.809 -9.761 1.00 71.30 H new ATOM 0 HE2 HIS A 594 1.271 -8.147 -9.387 1.00 41.12 H new ATOM 511 N LEU A 595 4.334 -9.527 -2.756 1.00 63.11 N ATOM 512 CA LEU A 595 5.083 -10.017 -1.604 1.00 42.41 C ATOM 513 C LEU A 595 4.140 -10.491 -0.502 1.00 14.24 C ATOM 514 O LEU A 595 4.509 -11.316 0.332 1.00 33.02 O ATOM 515 CB LEU A 595 6.004 -8.920 -1.067 1.00 63.12 C ATOM 516 CG LEU A 595 6.935 -8.265 -2.088 1.00 65.45 C ATOM 517 CD1 LEU A 595 7.323 -6.866 -1.635 1.00 74.33 C ATOM 518 CD2 LEU A 595 8.174 -9.121 -2.305 1.00 51.12 C ATOM 0 H LEU A 595 4.256 -8.511 -2.808 1.00 63.11 H new ATOM 0 HA LEU A 595 5.687 -10.864 -1.928 1.00 42.41 H new ATOM 0 HB2 LEU A 595 5.386 -8.143 -0.618 1.00 63.12 H new ATOM 0 HB3 LEU A 595 6.614 -9.344 -0.269 1.00 63.12 H new ATOM 0 HG LEU A 595 6.404 -8.183 -3.036 1.00 65.45 H new ATOM 0 HD11 LEU A 595 7.986 -6.415 -2.374 1.00 74.33 H new ATOM 0 HD12 LEU A 595 6.426 -6.255 -1.531 1.00 74.33 H new ATOM 0 HD13 LEU A 595 7.836 -6.924 -0.675 1.00 74.33 H new ATOM 0 HD21 LEU A 595 8.825 -8.640 -3.035 1.00 51.12 H new ATOM 0 HD22 LEU A 595 8.708 -9.235 -1.361 1.00 51.12 H new ATOM 0 HD23 LEU A 595 7.878 -10.103 -2.675 1.00 51.12 H new ATOM 529 N GLY A 596 2.919 -9.964 -0.508 1.00 33.53 N ATOM 530 CA GLY A 596 1.942 -10.346 0.494 1.00 3.24 C ATOM 531 C GLY A 596 2.002 -9.468 1.728 1.00 61.40 C ATOM 532 O GLY A 596 2.784 -8.518 1.786 1.00 24.20 O ATOM 0 H GLY A 596 2.590 -9.280 -1.189 1.00 33.53 H new ATOM 0 HA2 GLY A 596 0.943 -10.292 0.062 1.00 3.24 H new ATOM 0 HA3 GLY A 596 2.109 -11.384 0.782 1.00 3.24 H new ATOM 536 N THR A 597 1.174 -9.784 2.719 1.00 31.43 N ATOM 537 CA THR A 597 1.135 -9.016 3.956 1.00 2.30 C ATOM 538 C THR A 597 2.062 -9.616 5.007 1.00 2.22 C ATOM 539 O THR A 597 1.901 -9.374 6.202 1.00 73.22 O ATOM 540 CB THR A 597 -0.294 -8.945 4.528 1.00 42.04 C ATOM 541 OG1 THR A 597 -1.010 -10.141 4.205 1.00 24.25 O ATOM 542 CG2 THR A 597 -1.038 -7.738 3.979 1.00 12.10 C ATOM 0 H THR A 597 0.521 -10.567 2.688 1.00 31.43 H new ATOM 0 HA THR A 597 1.472 -8.008 3.713 1.00 2.30 H new ATOM 0 HB THR A 597 -0.224 -8.845 5.611 1.00 42.04 H new ATOM 0 HG1 THR A 597 -1.917 -10.089 4.573 1.00 24.25 H new ATOM 0 HG21 THR A 597 -2.044 -7.710 4.397 1.00 12.10 H new ATOM 0 HG22 THR A 597 -0.505 -6.827 4.252 1.00 12.10 H new ATOM 0 HG23 THR A 597 -1.098 -7.811 2.893 1.00 12.10 H new ATOM 550 N GLY A 598 3.034 -10.402 4.553 1.00 12.43 N ATOM 551 CA GLY A 598 3.973 -11.024 5.467 1.00 21.23 C ATOM 552 C GLY A 598 5.415 -10.728 5.108 1.00 32.21 C ATOM 553 O GLY A 598 6.334 -11.349 5.641 1.00 15.01 O ATOM 0 H GLY A 598 3.187 -10.619 3.568 1.00 12.43 H new ATOM 0 HA2 GLY A 598 3.775 -10.674 6.480 1.00 21.23 H new ATOM 0 HA3 GLY A 598 3.816 -12.103 5.466 1.00 21.23 H new ATOM 557 N ARG A 599 5.614 -9.777 4.200 1.00 43.23 N ATOM 558 CA ARG A 599 6.954 -9.401 3.769 1.00 32.42 C ATOM 559 C ARG A 599 7.102 -7.884 3.711 1.00 45.04 C ATOM 560 O ARG A 599 7.196 -7.300 2.631 1.00 5.01 O ATOM 561 CB ARG A 599 7.260 -10.006 2.397 1.00 21.02 C ATOM 562 CG ARG A 599 7.643 -11.477 2.452 1.00 75.22 C ATOM 563 CD ARG A 599 8.362 -11.912 1.184 1.00 30.31 C ATOM 564 NE ARG A 599 8.276 -13.354 0.975 1.00 25.22 N ATOM 565 CZ ARG A 599 8.938 -14.244 1.705 1.00 63.12 C ATOM 566 NH1 ARG A 599 9.731 -13.841 2.689 1.00 11.34 N ATOM 567 NH2 ARG A 599 8.808 -15.541 1.453 1.00 51.44 N ATOM 0 H ARG A 599 4.864 -9.253 3.749 1.00 43.23 H new ATOM 0 HA ARG A 599 7.665 -9.790 4.498 1.00 32.42 H new ATOM 0 HB2 ARG A 599 6.387 -9.890 1.755 1.00 21.02 H new ATOM 0 HB3 ARG A 599 8.072 -9.445 1.935 1.00 21.02 H new ATOM 0 HG2 ARG A 599 8.284 -11.655 3.315 1.00 75.22 H new ATOM 0 HG3 ARG A 599 6.747 -12.083 2.590 1.00 75.22 H new ATOM 0 HD2 ARG A 599 7.931 -11.395 0.327 1.00 30.31 H new ATOM 0 HD3 ARG A 599 9.409 -11.616 1.241 1.00 30.31 H new ATOM 0 HE ARG A 599 7.674 -13.697 0.227 1.00 25.22 H new ATOM 0 HH11 ARG A 599 9.833 -12.846 2.886 1.00 11.34 H new ATOM 0 HH12 ARG A 599 10.238 -14.527 3.248 1.00 11.34 H new ATOM 0 HH21 ARG A 599 8.199 -15.855 0.698 1.00 51.44 H new ATOM 0 HH22 ARG A 599 9.317 -16.223 2.015 1.00 51.44 H new ATOM 578 N TRP A 600 7.122 -7.252 4.879 1.00 21.14 N ATOM 579 CA TRP A 600 7.257 -5.803 4.961 1.00 54.12 C ATOM 580 C TRP A 600 8.597 -5.348 4.393 1.00 12.13 C ATOM 581 O TRP A 600 8.655 -4.433 3.572 1.00 13.43 O ATOM 582 CB TRP A 600 7.120 -5.339 6.412 1.00 74.11 C ATOM 583 CG TRP A 600 5.965 -5.966 7.131 1.00 40.11 C ATOM 584 CD1 TRP A 600 4.712 -6.186 6.633 1.00 11.31 C ATOM 585 CD2 TRP A 600 5.954 -6.453 8.477 1.00 60.13 C ATOM 586 NE1 TRP A 600 3.924 -6.780 7.589 1.00 13.32 N ATOM 587 CE2 TRP A 600 4.663 -6.956 8.728 1.00 41.53 C ATOM 588 CE3 TRP A 600 6.911 -6.515 9.494 1.00 60.02 C ATOM 589 CZ2 TRP A 600 4.306 -7.510 9.955 1.00 20.04 C ATOM 590 CZ3 TRP A 600 6.555 -7.066 10.710 1.00 75.41 C ATOM 591 CH2 TRP A 600 5.262 -7.559 10.932 1.00 72.15 C ATOM 0 H TRP A 600 7.046 -7.720 5.782 1.00 21.14 H new ATOM 0 HA TRP A 600 6.461 -5.355 4.367 1.00 54.12 H new ATOM 0 HB2 TRP A 600 8.041 -5.570 6.948 1.00 74.11 H new ATOM 0 HB3 TRP A 600 7.004 -4.255 6.430 1.00 74.11 H new ATOM 0 HD1 TRP A 600 4.388 -5.931 5.635 1.00 11.31 H new ATOM 0 HE1 TRP A 600 2.947 -7.047 7.470 1.00 13.32 H new ATOM 0 HE3 TRP A 600 7.910 -6.139 9.332 1.00 60.02 H new ATOM 0 HZ2 TRP A 600 3.309 -7.888 10.129 1.00 20.04 H new ATOM 0 HZ3 TRP A 600 7.286 -7.118 11.503 1.00 75.41 H new ATOM 0 HH2 TRP A 600 5.016 -7.986 11.893 1.00 72.15 H new ATOM 601 N ARG A 601 9.672 -5.993 4.836 1.00 14.22 N ATOM 602 CA ARG A 601 11.011 -5.653 4.371 1.00 15.15 C ATOM 603 C ARG A 601 11.077 -5.663 2.845 1.00 64.55 C ATOM 604 O ARG A 601 11.716 -4.805 2.236 1.00 23.42 O ATOM 605 CB ARG A 601 12.037 -6.633 4.943 1.00 42.34 C ATOM 606 CG ARG A 601 12.039 -6.694 6.461 1.00 41.23 C ATOM 607 CD ARG A 601 12.590 -8.019 6.964 1.00 73.14 C ATOM 608 NE ARG A 601 12.141 -8.319 8.322 1.00 51.12 N ATOM 609 CZ ARG A 601 12.669 -7.767 9.409 1.00 3.34 C ATOM 610 NH1 ARG A 601 13.659 -6.893 9.298 1.00 40.45 N ATOM 611 NH2 ARG A 601 12.206 -8.091 10.610 1.00 51.23 N ATOM 0 H ARG A 601 9.641 -6.753 5.516 1.00 14.22 H new ATOM 0 HA ARG A 601 11.245 -4.647 4.721 1.00 15.15 H new ATOM 0 HB2 ARG A 601 11.836 -7.629 4.548 1.00 42.34 H new ATOM 0 HB3 ARG A 601 13.031 -6.348 4.598 1.00 42.34 H new ATOM 0 HG2 ARG A 601 12.638 -5.875 6.858 1.00 41.23 H new ATOM 0 HG3 ARG A 601 11.024 -6.556 6.833 1.00 41.23 H new ATOM 0 HD2 ARG A 601 12.277 -8.820 6.294 1.00 73.14 H new ATOM 0 HD3 ARG A 601 13.679 -7.991 6.940 1.00 73.14 H new ATOM 0 HE ARG A 601 11.381 -8.989 8.442 1.00 51.12 H new ATOM 0 HH11 ARG A 601 14.017 -6.643 8.376 1.00 40.45 H new ATOM 0 HH12 ARG A 601 14.063 -6.471 10.134 1.00 40.45 H new ATOM 0 HH21 ARG A 601 11.445 -8.764 10.699 1.00 51.23 H new ATOM 0 HH22 ARG A 601 12.612 -7.667 11.444 1.00 51.23 H new ATOM 622 N ASP A 602 10.412 -6.640 2.237 1.00 75.45 N ATOM 623 CA ASP A 602 10.395 -6.762 0.785 1.00 25.04 C ATOM 624 C ASP A 602 9.537 -5.667 0.157 1.00 61.41 C ATOM 625 O ASP A 602 9.807 -5.213 -0.955 1.00 21.11 O ATOM 626 CB ASP A 602 9.868 -8.138 0.374 1.00 71.51 C ATOM 627 CG ASP A 602 10.561 -9.267 1.111 1.00 34.42 C ATOM 628 OD1 ASP A 602 10.354 -9.390 2.335 1.00 62.53 O ATOM 629 OD2 ASP A 602 11.313 -10.026 0.463 1.00 0.32 O ATOM 0 H ASP A 602 9.878 -7.358 2.727 1.00 75.45 H new ATOM 0 HA ASP A 602 11.417 -6.650 0.424 1.00 25.04 H new ATOM 0 HB2 ASP A 602 8.796 -8.186 0.567 1.00 71.51 H new ATOM 0 HB3 ASP A 602 10.005 -8.271 -0.699 1.00 71.51 H new ATOM 633 N VAL A 603 8.501 -5.248 0.878 1.00 21.54 N ATOM 634 CA VAL A 603 7.603 -4.208 0.392 1.00 71.22 C ATOM 635 C VAL A 603 8.335 -2.880 0.235 1.00 75.32 C ATOM 636 O VAL A 603 8.094 -2.134 -0.713 1.00 14.10 O ATOM 637 CB VAL A 603 6.405 -4.013 1.341 1.00 55.21 C ATOM 638 CG1 VAL A 603 5.575 -2.812 0.913 1.00 13.12 C ATOM 639 CG2 VAL A 603 5.552 -5.271 1.387 1.00 70.51 C ATOM 0 H VAL A 603 8.264 -5.613 1.800 1.00 21.54 H new ATOM 0 HA VAL A 603 7.237 -4.535 -0.581 1.00 71.22 H new ATOM 0 HB VAL A 603 6.786 -3.823 2.344 1.00 55.21 H new ATOM 0 HG11 VAL A 603 4.733 -2.690 1.595 1.00 13.12 H new ATOM 0 HG12 VAL A 603 6.194 -1.915 0.936 1.00 13.12 H new ATOM 0 HG13 VAL A 603 5.202 -2.969 -0.099 1.00 13.12 H new ATOM 0 HG21 VAL A 603 4.710 -5.115 2.062 1.00 70.51 H new ATOM 0 HG22 VAL A 603 5.179 -5.494 0.387 1.00 70.51 H new ATOM 0 HG23 VAL A 603 6.154 -6.106 1.745 1.00 70.51 H new ATOM 649 N LYS A 604 9.231 -2.590 1.173 1.00 61.32 N ATOM 650 CA LYS A 604 10.001 -1.353 1.140 1.00 73.32 C ATOM 651 C LYS A 604 11.047 -1.392 0.030 1.00 62.14 C ATOM 652 O LYS A 604 11.239 -0.413 -0.689 1.00 42.21 O ATOM 653 CB LYS A 604 10.683 -1.117 2.490 1.00 11.42 C ATOM 654 CG LYS A 604 10.950 0.349 2.787 1.00 35.32 C ATOM 655 CD LYS A 604 11.688 0.524 4.104 1.00 54.34 C ATOM 656 CE LYS A 604 12.220 1.941 4.260 1.00 73.20 C ATOM 657 NZ LYS A 604 11.121 2.941 4.352 1.00 30.35 N ATOM 0 H LYS A 604 9.441 -3.196 1.966 1.00 61.32 H new ATOM 0 HA LYS A 604 9.313 -0.532 0.938 1.00 73.32 H new ATOM 0 HB2 LYS A 604 10.058 -1.532 3.281 1.00 11.42 H new ATOM 0 HB3 LYS A 604 11.627 -1.661 2.511 1.00 11.42 H new ATOM 0 HG2 LYS A 604 11.538 0.784 1.979 1.00 35.32 H new ATOM 0 HG3 LYS A 604 10.006 0.892 2.823 1.00 35.32 H new ATOM 0 HD2 LYS A 604 11.018 0.293 4.932 1.00 54.34 H new ATOM 0 HD3 LYS A 604 12.515 -0.184 4.156 1.00 54.34 H new ATOM 0 HE2 LYS A 604 12.839 1.999 5.155 1.00 73.20 H new ATOM 0 HE3 LYS A 604 12.861 2.183 3.412 1.00 73.20 H new ATOM 0 HZ1 LYS A 604 11.494 3.832 4.739 1.00 30.35 H new ATOM 0 HZ2 LYS A 604 10.728 3.113 3.405 1.00 30.35 H new ATOM 0 HZ3 LYS A 604 10.373 2.578 4.977 1.00 30.35 H new ATOM 667 N MET A 605 11.718 -2.531 -0.104 1.00 74.21 N ATOM 668 CA MET A 605 12.743 -2.698 -1.128 1.00 14.03 C ATOM 669 C MET A 605 12.116 -2.774 -2.516 1.00 10.43 C ATOM 670 O MET A 605 12.717 -2.347 -3.503 1.00 24.23 O ATOM 671 CB MET A 605 13.564 -3.960 -0.857 1.00 31.03 C ATOM 672 CG MET A 605 14.527 -3.820 0.310 1.00 44.43 C ATOM 673 SD MET A 605 15.931 -4.945 0.193 1.00 53.11 S ATOM 674 CE MET A 605 17.134 -3.900 -0.626 1.00 22.20 C ATOM 0 H MET A 605 11.571 -3.352 0.483 1.00 74.21 H new ATOM 0 HA MET A 605 13.402 -1.830 -1.093 1.00 14.03 H new ATOM 0 HB2 MET A 605 12.885 -4.790 -0.660 1.00 31.03 H new ATOM 0 HB3 MET A 605 14.128 -4.216 -1.754 1.00 31.03 H new ATOM 0 HG2 MET A 605 14.892 -2.794 0.354 1.00 44.43 H new ATOM 0 HG3 MET A 605 13.993 -4.008 1.241 1.00 44.43 H new ATOM 0 HE1 MET A 605 18.061 -4.456 -0.770 1.00 22.20 H new ATOM 0 HE2 MET A 605 16.744 -3.587 -1.595 1.00 22.20 H new ATOM 0 HE3 MET A 605 17.330 -3.021 -0.012 1.00 22.20 H new ATOM 682 N ARG A 606 10.906 -3.318 -2.585 1.00 0.35 N ATOM 683 CA ARG A 606 10.198 -3.450 -3.854 1.00 60.14 C ATOM 684 C ARG A 606 9.514 -2.141 -4.234 1.00 54.24 C ATOM 685 O ARG A 606 9.516 -1.744 -5.399 1.00 41.23 O ATOM 686 CB ARG A 606 9.162 -4.573 -3.770 1.00 61.11 C ATOM 687 CG ARG A 606 8.241 -4.643 -4.976 1.00 34.10 C ATOM 688 CD ARG A 606 7.797 -6.070 -5.255 1.00 5.02 C ATOM 689 NE ARG A 606 8.751 -6.786 -6.099 1.00 3.41 N ATOM 690 CZ ARG A 606 8.872 -6.582 -7.406 1.00 22.02 C ATOM 691 NH1 ARG A 606 8.105 -5.689 -8.015 1.00 5.54 N ATOM 692 NH2 ARG A 606 9.763 -7.272 -8.106 1.00 61.22 N ATOM 0 H ARG A 606 10.395 -3.675 -1.778 1.00 0.35 H new ATOM 0 HA ARG A 606 10.929 -3.695 -4.625 1.00 60.14 H new ATOM 0 HB2 ARG A 606 9.680 -5.526 -3.663 1.00 61.11 H new ATOM 0 HB3 ARG A 606 8.560 -4.434 -2.872 1.00 61.11 H new ATOM 0 HG2 ARG A 606 7.366 -4.016 -4.804 1.00 34.10 H new ATOM 0 HG3 ARG A 606 8.754 -4.243 -5.851 1.00 34.10 H new ATOM 0 HD2 ARG A 606 7.676 -6.603 -4.312 1.00 5.02 H new ATOM 0 HD3 ARG A 606 6.821 -6.057 -5.741 1.00 5.02 H new ATOM 0 HE ARG A 606 9.357 -7.480 -5.661 1.00 3.41 H new ATOM 0 HH11 ARG A 606 7.419 -5.156 -7.480 1.00 5.54 H new ATOM 0 HH12 ARG A 606 8.200 -5.535 -9.019 1.00 5.54 H new ATOM 0 HH21 ARG A 606 10.356 -7.960 -7.641 1.00 61.22 H new ATOM 0 HH22 ARG A 606 9.855 -7.115 -9.110 1.00 61.22 H new ATOM 703 N ALA A 607 8.932 -1.474 -3.243 1.00 43.44 N ATOM 704 CA ALA A 607 8.245 -0.208 -3.474 1.00 21.30 C ATOM 705 C ALA A 607 9.226 0.959 -3.453 1.00 14.20 C ATOM 706 O ALA A 607 9.504 1.567 -4.487 1.00 10.01 O ATOM 707 CB ALA A 607 7.154 -0.002 -2.433 1.00 35.51 C ATOM 0 H ALA A 607 8.922 -1.789 -2.273 1.00 43.44 H new ATOM 0 HA ALA A 607 7.786 -0.246 -4.462 1.00 21.30 H new ATOM 0 HB1 ALA A 607 6.650 0.947 -2.617 1.00 35.51 H new ATOM 0 HB2 ALA A 607 6.432 -0.816 -2.497 1.00 35.51 H new ATOM 0 HB3 ALA A 607 7.598 0.011 -1.438 1.00 35.51 H new ATOM 713 N PHE A 608 9.747 1.268 -2.271 1.00 51.22 N ATOM 714 CA PHE A 608 10.695 2.365 -2.116 1.00 21.01 C ATOM 715 C PHE A 608 12.043 2.010 -2.739 1.00 63.12 C ATOM 716 O PHE A 608 12.640 0.986 -2.410 1.00 65.41 O ATOM 717 CB PHE A 608 10.878 2.704 -0.635 1.00 32.41 C ATOM 718 CG PHE A 608 9.628 3.215 0.023 1.00 34.34 C ATOM 719 CD1 PHE A 608 8.642 2.336 0.440 1.00 42.42 C ATOM 720 CD2 PHE A 608 9.440 4.573 0.221 1.00 43.02 C ATOM 721 CE1 PHE A 608 7.489 2.803 1.046 1.00 74.12 C ATOM 722 CE2 PHE A 608 8.291 5.045 0.826 1.00 63.10 C ATOM 723 CZ PHE A 608 7.313 4.160 1.238 1.00 74.42 C ATOM 0 H PHE A 608 9.529 0.774 -1.406 1.00 51.22 H new ATOM 0 HA PHE A 608 10.293 3.236 -2.633 1.00 21.01 H new ATOM 0 HB2 PHE A 608 11.219 1.814 -0.106 1.00 32.41 H new ATOM 0 HB3 PHE A 608 11.663 3.454 -0.537 1.00 32.41 H new ATOM 0 HD1 PHE A 608 8.775 1.275 0.291 1.00 42.42 H new ATOM 0 HD2 PHE A 608 10.199 5.270 -0.101 1.00 43.02 H new ATOM 0 HE1 PHE A 608 6.728 2.108 1.368 1.00 74.12 H new ATOM 0 HE2 PHE A 608 8.157 6.106 0.977 1.00 63.10 H new ATOM 0 HZ PHE A 608 6.413 4.528 1.709 1.00 74.42 H new ATOM 828 N TYR A 616 11.188 -0.751 8.254 1.00 54.34 N ATOM 829 CA TYR A 616 9.943 -0.918 7.515 1.00 11.22 C ATOM 830 C TYR A 616 8.775 -0.281 8.261 1.00 62.22 C ATOM 831 O TYR A 616 7.619 -0.657 8.067 1.00 12.20 O ATOM 832 CB TYR A 616 9.661 -2.403 7.277 1.00 74.43 C ATOM 833 CG TYR A 616 9.754 -3.244 8.531 1.00 34.54 C ATOM 834 CD1 TYR A 616 8.713 -3.273 9.450 1.00 63.43 C ATOM 835 CD2 TYR A 616 10.883 -4.011 8.795 1.00 0.24 C ATOM 836 CE1 TYR A 616 8.794 -4.039 10.596 1.00 41.00 C ATOM 837 CE2 TYR A 616 10.972 -4.782 9.937 1.00 53.44 C ATOM 838 CZ TYR A 616 9.925 -4.793 10.835 1.00 55.34 C ATOM 839 OH TYR A 616 10.009 -5.558 11.975 1.00 45.03 O ATOM 0 HA TYR A 616 10.053 -0.417 6.553 1.00 11.22 H new ATOM 0 HB2 TYR A 616 8.664 -2.511 6.850 1.00 74.43 H new ATOM 0 HB3 TYR A 616 10.367 -2.785 6.540 1.00 74.43 H new ATOM 0 HD1 TYR A 616 7.825 -2.687 9.265 1.00 63.43 H new ATOM 0 HD2 TYR A 616 11.705 -4.004 8.094 1.00 0.24 H new ATOM 0 HE1 TYR A 616 7.977 -4.048 11.302 1.00 41.00 H new ATOM 0 HE2 TYR A 616 11.856 -5.373 10.126 1.00 53.44 H new ATOM 0 HH TYR A 616 10.869 -6.028 11.991 1.00 45.03 H new ATOM 848 N VAL A 617 9.086 0.688 9.117 1.00 31.33 N ATOM 849 CA VAL A 617 8.064 1.380 9.893 1.00 60.41 C ATOM 850 C VAL A 617 7.233 2.301 9.008 1.00 5.50 C ATOM 851 O VAL A 617 6.037 2.487 9.236 1.00 63.54 O ATOM 852 CB VAL A 617 8.688 2.206 11.033 1.00 12.45 C ATOM 853 CG1 VAL A 617 9.579 3.305 10.470 1.00 24.14 C ATOM 854 CG2 VAL A 617 7.602 2.793 11.921 1.00 72.33 C ATOM 0 H VAL A 617 10.038 1.011 9.290 1.00 31.33 H new ATOM 0 HA VAL A 617 7.419 0.613 10.322 1.00 60.41 H new ATOM 0 HB VAL A 617 9.306 1.545 11.641 1.00 12.45 H new ATOM 0 HG11 VAL A 617 10.011 3.879 11.290 1.00 24.14 H new ATOM 0 HG12 VAL A 617 10.378 2.858 9.879 1.00 24.14 H new ATOM 0 HG13 VAL A 617 8.986 3.966 9.838 1.00 24.14 H new ATOM 0 HG21 VAL A 617 8.061 3.374 12.721 1.00 72.33 H new ATOM 0 HG22 VAL A 617 6.957 3.440 11.327 1.00 72.33 H new ATOM 0 HG23 VAL A 617 7.009 1.986 12.352 1.00 72.33 H new ATOM 864 N ASP A 618 7.872 2.876 7.995 1.00 75.31 N ATOM 865 CA ASP A 618 7.192 3.778 7.074 1.00 45.50 C ATOM 866 C ASP A 618 6.074 3.053 6.330 1.00 72.31 C ATOM 867 O ASP A 618 4.935 3.521 6.290 1.00 53.13 O ATOM 868 CB ASP A 618 8.187 4.367 6.073 1.00 72.14 C ATOM 869 CG ASP A 618 8.342 5.867 6.225 1.00 51.53 C ATOM 870 OD1 ASP A 618 7.347 6.591 6.007 1.00 11.34 O ATOM 871 OD2 ASP A 618 9.456 6.319 6.563 1.00 12.33 O ATOM 0 H ASP A 618 8.861 2.733 7.791 1.00 75.31 H new ATOM 0 HA ASP A 618 6.753 4.588 7.657 1.00 45.50 H new ATOM 0 HB2 ASP A 618 9.158 3.889 6.206 1.00 72.14 H new ATOM 0 HB3 ASP A 618 7.856 4.140 5.060 1.00 72.14 H new ATOM 875 N LEU A 619 6.407 1.910 5.742 1.00 23.25 N ATOM 876 CA LEU A 619 5.432 1.119 4.998 1.00 51.40 C ATOM 877 C LEU A 619 4.395 0.510 5.937 1.00 23.34 C ATOM 878 O LEU A 619 3.284 0.180 5.523 1.00 55.43 O ATOM 879 CB LEU A 619 6.136 0.014 4.210 1.00 32.12 C ATOM 880 CG LEU A 619 6.473 -1.257 4.991 1.00 13.44 C ATOM 881 CD1 LEU A 619 5.361 -2.285 4.843 1.00 55.01 C ATOM 882 CD2 LEU A 619 7.801 -1.833 4.522 1.00 62.54 C ATOM 0 H LEU A 619 7.345 1.509 5.766 1.00 23.25 H new ATOM 0 HA LEU A 619 4.919 1.782 4.301 1.00 51.40 H new ATOM 0 HB2 LEU A 619 5.505 -0.260 3.364 1.00 32.12 H new ATOM 0 HB3 LEU A 619 7.061 0.420 3.800 1.00 32.12 H new ATOM 0 HG LEU A 619 6.563 -1.000 6.046 1.00 13.44 H new ATOM 0 HD11 LEU A 619 5.618 -3.183 5.405 1.00 55.01 H new ATOM 0 HD12 LEU A 619 4.429 -1.871 5.227 1.00 55.01 H new ATOM 0 HD13 LEU A 619 5.238 -2.539 3.790 1.00 55.01 H new ATOM 0 HD21 LEU A 619 8.026 -2.737 5.088 1.00 62.54 H new ATOM 0 HD22 LEU A 619 7.738 -2.075 3.461 1.00 62.54 H new ATOM 0 HD23 LEU A 619 8.592 -1.100 4.680 1.00 62.54 H new ATOM 893 N LYS A 620 4.766 0.362 7.204 1.00 34.02 N ATOM 894 CA LYS A 620 3.870 -0.204 8.204 1.00 44.21 C ATOM 895 C LYS A 620 2.701 0.736 8.483 1.00 72.51 C ATOM 896 O LYS A 620 1.565 0.296 8.653 1.00 5.21 O ATOM 897 CB LYS A 620 4.632 -0.488 9.501 1.00 4.34 C ATOM 898 CG LYS A 620 3.990 -1.564 10.360 1.00 0.33 C ATOM 899 CD LYS A 620 2.990 -0.974 11.339 1.00 2.44 C ATOM 900 CE LYS A 620 2.687 -1.938 12.476 1.00 5.22 C ATOM 901 NZ LYS A 620 3.518 -1.654 13.679 1.00 2.24 N ATOM 0 H LYS A 620 5.683 0.627 7.563 1.00 34.02 H new ATOM 0 HA LYS A 620 3.474 -1.140 7.811 1.00 44.21 H new ATOM 0 HB2 LYS A 620 5.650 -0.790 9.256 1.00 4.34 H new ATOM 0 HB3 LYS A 620 4.703 0.433 10.080 1.00 4.34 H new ATOM 0 HG2 LYS A 620 3.489 -2.290 9.720 1.00 0.33 H new ATOM 0 HG3 LYS A 620 4.763 -2.102 10.908 1.00 0.33 H new ATOM 0 HD2 LYS A 620 3.384 -0.042 11.746 1.00 2.44 H new ATOM 0 HD3 LYS A 620 2.067 -0.728 10.814 1.00 2.44 H new ATOM 0 HE2 LYS A 620 1.631 -1.869 12.739 1.00 5.22 H new ATOM 0 HE3 LYS A 620 2.867 -2.960 12.143 1.00 5.22 H new ATOM 0 HZ1 LYS A 620 3.282 -2.332 14.432 1.00 2.24 H new ATOM 0 HZ2 LYS A 620 4.525 -1.744 13.435 1.00 2.24 H new ATOM 0 HZ3 LYS A 620 3.328 -0.687 14.012 1.00 2.24 H new ATOM 911 N ASP A 621 2.990 2.033 8.528 1.00 23.22 N ATOM 912 CA ASP A 621 1.963 3.036 8.783 1.00 63.23 C ATOM 913 C ASP A 621 1.036 3.183 7.582 1.00 5.21 C ATOM 914 O ASP A 621 -0.188 3.150 7.720 1.00 74.30 O ATOM 915 CB ASP A 621 2.607 4.383 9.115 1.00 3.13 C ATOM 916 CG ASP A 621 1.617 5.368 9.705 1.00 32.12 C ATOM 917 OD1 ASP A 621 0.664 4.922 10.377 1.00 73.44 O ATOM 918 OD2 ASP A 621 1.796 6.586 9.494 1.00 32.31 O ATOM 0 H ASP A 621 3.926 2.413 8.391 1.00 23.22 H new ATOM 0 HA ASP A 621 1.371 2.705 9.636 1.00 63.23 H new ATOM 0 HB2 ASP A 621 3.424 4.228 9.819 1.00 3.13 H new ATOM 0 HB3 ASP A 621 3.042 4.807 8.210 1.00 3.13 H new ATOM 922 N LYS A 622 1.625 3.345 6.402 1.00 65.14 N ATOM 923 CA LYS A 622 0.852 3.497 5.175 1.00 34.54 C ATOM 924 C LYS A 622 -0.046 2.286 4.943 1.00 71.44 C ATOM 925 O LYS A 622 -1.099 2.395 4.316 1.00 21.05 O ATOM 926 CB LYS A 622 1.789 3.686 3.979 1.00 60.11 C ATOM 927 CG LYS A 622 1.066 4.036 2.690 1.00 12.32 C ATOM 928 CD LYS A 622 1.272 5.493 2.313 1.00 53.11 C ATOM 929 CE LYS A 622 2.713 5.766 1.907 1.00 24.31 C ATOM 930 NZ LYS A 622 2.934 5.529 0.454 1.00 0.23 N ATOM 0 H LYS A 622 2.636 3.374 6.269 1.00 65.14 H new ATOM 0 HA LYS A 622 0.221 4.380 5.280 1.00 34.54 H new ATOM 0 HB2 LYS A 622 2.505 4.475 4.210 1.00 60.11 H new ATOM 0 HB3 LYS A 622 2.361 2.771 3.828 1.00 60.11 H new ATOM 0 HG2 LYS A 622 1.427 3.396 1.884 1.00 12.32 H new ATOM 0 HG3 LYS A 622 0.001 3.836 2.803 1.00 12.32 H new ATOM 0 HD2 LYS A 622 0.606 5.755 1.491 1.00 53.11 H new ATOM 0 HD3 LYS A 622 1.004 6.129 3.156 1.00 53.11 H new ATOM 0 HE2 LYS A 622 2.970 6.797 2.150 1.00 24.31 H new ATOM 0 HE3 LYS A 622 3.380 5.127 2.485 1.00 24.31 H new ATOM 0 HZ1 LYS A 622 3.927 5.726 0.217 1.00 0.23 H new ATOM 0 HZ2 LYS A 622 2.714 4.538 0.226 1.00 0.23 H new ATOM 0 HZ3 LYS A 622 2.316 6.157 -0.098 1.00 0.23 H new ATOM 940 N TRP A 623 0.377 1.136 5.456 1.00 1.31 N ATOM 941 CA TRP A 623 -0.392 -0.095 5.306 1.00 31.52 C ATOM 942 C TRP A 623 -1.614 -0.088 6.217 1.00 10.01 C ATOM 943 O TRP A 623 -2.742 -0.275 5.760 1.00 43.51 O ATOM 944 CB TRP A 623 0.485 -1.309 5.618 1.00 15.12 C ATOM 945 CG TRP A 623 -0.267 -2.437 6.256 1.00 3.11 C ATOM 946 CD1 TRP A 623 -1.414 -3.021 5.797 1.00 35.20 C ATOM 947 CD2 TRP A 623 0.073 -3.116 7.470 1.00 15.41 C ATOM 948 NE1 TRP A 623 -1.807 -4.021 6.653 1.00 34.42 N ATOM 949 CE2 TRP A 623 -0.911 -4.100 7.687 1.00 20.23 C ATOM 950 CE3 TRP A 623 1.113 -2.988 8.394 1.00 32.45 C ATOM 951 CZ2 TRP A 623 -0.883 -4.949 8.789 1.00 61.32 C ATOM 952 CZ3 TRP A 623 1.140 -3.833 9.488 1.00 53.43 C ATOM 953 CH2 TRP A 623 0.147 -4.803 9.678 1.00 1.02 C ATOM 0 H TRP A 623 1.247 1.030 5.979 1.00 1.31 H new ATOM 0 HA TRP A 623 -0.733 -0.157 4.273 1.00 31.52 H new ATOM 0 HB2 TRP A 623 0.944 -1.664 4.695 1.00 15.12 H new ATOM 0 HB3 TRP A 623 1.296 -1.002 6.279 1.00 15.12 H new ATOM 0 HD1 TRP A 623 -1.935 -2.738 4.894 1.00 35.20 H new ATOM 0 HE1 TRP A 623 -2.632 -4.609 6.538 1.00 34.42 H new ATOM 0 HE3 TRP A 623 1.882 -2.242 8.256 1.00 32.45 H new ATOM 0 HZ2 TRP A 623 -1.648 -5.697 8.938 1.00 61.32 H new ATOM 0 HZ3 TRP A 623 1.940 -3.744 10.208 1.00 53.43 H new ATOM 0 HH2 TRP A 623 0.195 -5.448 10.543 1.00 1.02 H new ATOM 963 N LYS A 624 -1.384 0.129 7.507 1.00 54.30 N ATOM 964 CA LYS A 624 -2.467 0.162 8.483 1.00 12.10 C ATOM 965 C LYS A 624 -3.588 1.087 8.020 1.00 71.31 C ATOM 966 O LYS A 624 -4.769 0.774 8.175 1.00 44.11 O ATOM 967 CB LYS A 624 -1.940 0.623 9.844 1.00 22.44 C ATOM 968 CG LYS A 624 -2.672 0.003 11.021 1.00 5.14 C ATOM 969 CD LYS A 624 -3.832 0.872 11.478 1.00 14.21 C ATOM 970 CE LYS A 624 -3.370 1.962 12.433 1.00 74.02 C ATOM 971 NZ LYS A 624 -3.438 1.520 13.853 1.00 63.33 N ATOM 0 H LYS A 624 -0.456 0.285 7.902 1.00 54.30 H new ATOM 0 HA LYS A 624 -2.868 -0.847 8.578 1.00 12.10 H new ATOM 0 HB2 LYS A 624 -0.880 0.378 9.916 1.00 22.44 H new ATOM 0 HB3 LYS A 624 -2.021 1.708 9.907 1.00 22.44 H new ATOM 0 HG2 LYS A 624 -3.043 -0.983 10.741 1.00 5.14 H new ATOM 0 HG3 LYS A 624 -1.977 -0.141 11.848 1.00 5.14 H new ATOM 0 HD2 LYS A 624 -4.311 1.326 10.611 1.00 14.21 H new ATOM 0 HD3 LYS A 624 -4.582 0.251 11.968 1.00 14.21 H new ATOM 0 HE2 LYS A 624 -2.347 2.248 12.190 1.00 74.02 H new ATOM 0 HE3 LYS A 624 -3.989 2.849 12.299 1.00 74.02 H new ATOM 0 HZ1 LYS A 624 -3.115 2.291 14.472 1.00 63.33 H new ATOM 0 HZ2 LYS A 624 -4.419 1.271 14.093 1.00 63.33 H new ATOM 0 HZ3 LYS A 624 -2.827 0.689 13.987 1.00 63.33 H new ATOM 981 N THR A 625 -3.211 2.227 7.450 1.00 45.30 N ATOM 982 CA THR A 625 -4.186 3.197 6.964 1.00 73.23 C ATOM 983 C THR A 625 -4.813 2.736 5.654 1.00 53.40 C ATOM 984 O THR A 625 -6.006 2.938 5.420 1.00 52.32 O ATOM 985 CB THR A 625 -3.543 4.581 6.755 1.00 32.05 C ATOM 986 OG1 THR A 625 -4.525 5.511 6.286 1.00 3.30 O ATOM 987 CG2 THR A 625 -2.397 4.500 5.757 1.00 53.42 C ATOM 0 H THR A 625 -2.238 2.502 7.313 1.00 45.30 H new ATOM 0 HA THR A 625 -4.962 3.276 7.726 1.00 73.23 H new ATOM 0 HB THR A 625 -3.148 4.922 7.712 1.00 32.05 H new ATOM 0 HG1 THR A 625 -4.109 6.389 6.157 1.00 3.30 H new ATOM 0 HG21 THR A 625 -1.958 5.489 5.626 1.00 53.42 H new ATOM 0 HG22 THR A 625 -1.637 3.813 6.130 1.00 53.42 H new ATOM 0 HG23 THR A 625 -2.773 4.140 4.799 1.00 53.42 H new ATOM 995 N LEU A 626 -4.004 2.117 4.801 1.00 61.40 N ATOM 996 CA LEU A 626 -4.481 1.626 3.513 1.00 31.14 C ATOM 997 C LEU A 626 -5.652 0.666 3.696 1.00 13.33 C ATOM 998 O LEU A 626 -6.730 0.871 3.137 1.00 42.11 O ATOM 999 CB LEU A 626 -3.347 0.929 2.759 1.00 25.41 C ATOM 1000 CG LEU A 626 -2.898 1.593 1.457 1.00 42.33 C ATOM 1001 CD1 LEU A 626 -1.838 0.751 0.767 1.00 10.15 C ATOM 1002 CD2 LEU A 626 -4.088 1.819 0.536 1.00 22.20 C ATOM 0 H LEU A 626 -3.015 1.943 4.978 1.00 61.40 H new ATOM 0 HA LEU A 626 -4.824 2.481 2.930 1.00 31.14 H new ATOM 0 HB2 LEU A 626 -2.486 0.859 3.423 1.00 25.41 H new ATOM 0 HB3 LEU A 626 -3.660 -0.091 2.534 1.00 25.41 H new ATOM 0 HG LEU A 626 -2.462 2.563 1.697 1.00 42.33 H new ATOM 0 HD11 LEU A 626 -1.531 1.239 -0.158 1.00 10.15 H new ATOM 0 HD12 LEU A 626 -0.975 0.642 1.424 1.00 10.15 H new ATOM 0 HD13 LEU A 626 -2.247 -0.233 0.539 1.00 10.15 H new ATOM 0 HD21 LEU A 626 -3.750 2.292 -0.386 1.00 22.20 H new ATOM 0 HD22 LEU A 626 -4.554 0.862 0.303 1.00 22.20 H new ATOM 0 HD23 LEU A 626 -4.813 2.465 1.031 1.00 22.20 H new ATOM 1013 N VAL A 627 -5.435 -0.382 4.483 1.00 33.44 N ATOM 1014 CA VAL A 627 -6.472 -1.373 4.742 1.00 34.30 C ATOM 1015 C VAL A 627 -7.684 -0.737 5.414 1.00 12.00 C ATOM 1016 O VAL A 627 -8.806 -0.841 4.920 1.00 4.41 O ATOM 1017 CB VAL A 627 -5.947 -2.517 5.632 1.00 13.41 C ATOM 1018 CG1 VAL A 627 -6.947 -3.663 5.672 1.00 73.22 C ATOM 1019 CG2 VAL A 627 -4.592 -2.996 5.136 1.00 63.50 C ATOM 0 H VAL A 627 -4.549 -0.567 4.953 1.00 33.44 H new ATOM 0 HA VAL A 627 -6.768 -1.781 3.776 1.00 34.30 H new ATOM 0 HB VAL A 627 -5.824 -2.140 6.647 1.00 13.41 H new ATOM 0 HG11 VAL A 627 -6.560 -4.462 6.305 1.00 73.22 H new ATOM 0 HG12 VAL A 627 -7.894 -3.306 6.077 1.00 73.22 H new ATOM 0 HG13 VAL A 627 -7.105 -4.044 4.663 1.00 73.22 H new ATOM 0 HG21 VAL A 627 -4.235 -3.804 5.775 1.00 63.50 H new ATOM 0 HG22 VAL A 627 -4.687 -3.358 4.112 1.00 63.50 H new ATOM 0 HG23 VAL A 627 -3.881 -2.170 5.165 1.00 63.50 H new ATOM 1029 N HIS A 628 -7.449 -0.076 6.543 1.00 33.02 N ATOM 1030 CA HIS A 628 -8.521 0.579 7.283 1.00 51.32 C ATOM 1031 C HIS A 628 -9.298 1.535 6.381 1.00 73.31 C ATOM 1032 O HIS A 628 -10.486 1.778 6.594 1.00 11.22 O ATOM 1033 CB HIS A 628 -7.953 1.339 8.481 1.00 14.34 C ATOM 1034 CG HIS A 628 -7.510 0.448 9.600 1.00 40.23 C ATOM 1035 ND1 HIS A 628 -6.943 -0.791 9.396 1.00 61.21 N ATOM 1036 CD2 HIS A 628 -7.552 0.625 10.942 1.00 50.32 C ATOM 1037 CE1 HIS A 628 -6.657 -1.341 10.563 1.00 55.03 C ATOM 1038 NE2 HIS A 628 -7.016 -0.501 11.517 1.00 40.33 N ATOM 0 H HIS A 628 -6.525 0.020 6.965 1.00 33.02 H new ATOM 0 HA HIS A 628 -9.204 -0.191 7.642 1.00 51.32 H new ATOM 0 HB2 HIS A 628 -7.107 1.942 8.151 1.00 14.34 H new ATOM 0 HB3 HIS A 628 -8.709 2.029 8.855 1.00 14.34 H new ATOM 0 HD2 HIS A 628 -7.935 1.490 11.463 1.00 50.32 H new ATOM 0 HE1 HIS A 628 -6.207 -2.311 10.711 1.00 55.03 H new ATOM 0 HE2 HIS A 628 -6.912 -0.663 12.519 1.00 40.33 H new ATOM 1045 N THR A 629 -8.619 2.073 5.373 1.00 51.32 N ATOM 1046 CA THR A 629 -9.244 3.003 4.441 1.00 54.34 C ATOM 1047 C THR A 629 -10.067 2.262 3.394 1.00 35.35 C ATOM 1048 O THR A 629 -11.053 2.787 2.879 1.00 72.23 O ATOM 1049 CB THR A 629 -8.194 3.876 3.729 1.00 52.11 C ATOM 1050 OG1 THR A 629 -7.609 4.796 4.659 1.00 31.22 O ATOM 1051 CG2 THR A 629 -8.820 4.644 2.575 1.00 41.44 C ATOM 0 H THR A 629 -7.636 1.881 5.181 1.00 51.32 H new ATOM 0 HA THR A 629 -9.901 3.645 5.028 1.00 54.34 H new ATOM 0 HB THR A 629 -7.420 3.220 3.331 1.00 52.11 H new ATOM 0 HG1 THR A 629 -6.788 4.410 5.029 1.00 31.22 H new ATOM 0 HG21 THR A 629 -8.059 5.253 2.088 1.00 41.44 H new ATOM 0 HG22 THR A 629 -9.238 3.941 1.854 1.00 41.44 H new ATOM 0 HG23 THR A 629 -9.613 5.289 2.955 1.00 41.44 H new ATOM 1059 N ALA A 630 -9.654 1.037 3.082 1.00 11.11 N ATOM 1060 CA ALA A 630 -10.354 0.223 2.097 1.00 24.41 C ATOM 1061 C ALA A 630 -11.840 0.121 2.426 1.00 62.41 C ATOM 1062 O ALA A 630 -12.692 0.346 1.567 1.00 42.22 O ATOM 1063 CB ALA A 630 -9.733 -1.164 2.021 1.00 34.54 C ATOM 0 H ALA A 630 -8.838 0.587 3.498 1.00 11.11 H new ATOM 0 HA ALA A 630 -10.255 0.707 1.126 1.00 24.41 H new ATOM 0 HB1 ALA A 630 -10.266 -1.761 1.281 1.00 34.54 H new ATOM 0 HB2 ALA A 630 -8.686 -1.078 1.732 1.00 34.54 H new ATOM 0 HB3 ALA A 630 -9.802 -1.647 2.995 1.00 34.54 H new ATOM 1069 N SER A 631 -12.142 -0.222 3.675 1.00 3.13 N ATOM 1070 CA SER A 631 -13.527 -0.358 4.116 1.00 34.44 C ATOM 1071 C SER A 631 -13.596 -1.031 5.483 1.00 42.15 C ATOM 1072 O SER A 631 -14.093 -2.151 5.612 1.00 54.44 O ATOM 1073 CB SER A 631 -14.331 -1.166 3.095 1.00 63.33 C ATOM 1074 OG SER A 631 -15.085 -0.315 2.251 1.00 45.44 O ATOM 0 H SER A 631 -11.448 -0.411 4.398 1.00 3.13 H new ATOM 0 HA SER A 631 -13.958 0.640 4.199 1.00 34.44 H new ATOM 0 HB2 SER A 631 -13.655 -1.773 2.494 1.00 63.33 H new ATOM 0 HB3 SER A 631 -14.999 -1.853 3.615 1.00 63.33 H new ATOM 0 HG SER A 631 -14.478 0.204 1.683 1.00 45.44 H new ATOM 1079 N ILE A 632 -13.096 -0.339 6.501 1.00 60.52 N ATOM 1080 CA ILE A 632 -13.103 -0.867 7.860 1.00 60.10 C ATOM 1081 C ILE A 632 -13.701 0.138 8.838 1.00 3.11 C ATOM 1082 O ILE A 632 -14.834 -0.023 9.293 1.00 53.13 O ATOM 1083 CB ILE A 632 -11.683 -1.237 8.327 1.00 33.32 C ATOM 1084 CG1 ILE A 632 -11.209 -2.513 7.629 1.00 1.23 C ATOM 1085 CG2 ILE A 632 -11.651 -1.410 9.838 1.00 31.22 C ATOM 1086 CD1 ILE A 632 -10.881 -2.315 6.166 1.00 24.05 C ATOM 0 H ILE A 632 -12.681 0.588 6.411 1.00 60.52 H new ATOM 0 HA ILE A 632 -13.719 -1.766 7.845 1.00 60.10 H new ATOM 0 HB ILE A 632 -11.006 -0.426 8.059 1.00 33.32 H new ATOM 0 HG12 ILE A 632 -10.326 -2.892 8.143 1.00 1.23 H new ATOM 0 HG13 ILE A 632 -11.982 -3.276 7.720 1.00 1.23 H new ATOM 0 HG21 ILE A 632 -10.641 -1.671 10.153 1.00 31.22 H new ATOM 0 HG22 ILE A 632 -11.951 -0.478 10.317 1.00 31.22 H new ATOM 0 HG23 ILE A 632 -12.338 -2.205 10.128 1.00 31.22 H new ATOM 0 HD11 ILE A 632 -10.552 -3.261 5.736 1.00 24.05 H new ATOM 0 HD12 ILE A 632 -11.768 -1.965 5.638 1.00 24.05 H new ATOM 0 HD13 ILE A 632 -10.086 -1.576 6.068 1.00 24.05 H new ATOM 1097 N ALA A 633 -12.935 1.176 9.154 1.00 64.32 N ATOM 1098 CA ALA A 633 -13.391 2.211 10.076 1.00 23.44 C ATOM 1099 C ALA A 633 -13.815 3.467 9.323 1.00 4.34 C ATOM 1100 O ALA A 633 -13.240 3.829 8.296 1.00 40.01 O ATOM 1101 CB ALA A 633 -12.300 2.539 11.083 1.00 30.43 C ATOM 0 H ALA A 633 -11.995 1.324 8.786 1.00 64.32 H new ATOM 0 HA ALA A 633 -14.260 1.829 10.612 1.00 23.44 H new ATOM 0 HB1 ALA A 633 -12.654 3.313 11.764 1.00 30.43 H new ATOM 0 HB2 ALA A 633 -12.048 1.643 11.651 1.00 30.43 H new ATOM 0 HB3 ALA A 633 -11.415 2.897 10.557 1.00 30.43 H new ATOM 1210 N PRO A 641 -9.082 11.923 -1.698 1.00 54.31 N ATOM 1211 CA PRO A 641 -9.738 10.865 -2.471 1.00 64.13 C ATOM 1212 C PRO A 641 -8.826 9.665 -2.703 1.00 55.41 C ATOM 1213 O PRO A 641 -7.750 9.796 -3.287 1.00 71.33 O ATOM 1214 CB PRO A 641 -10.072 11.548 -3.799 1.00 54.05 C ATOM 1215 CG PRO A 641 -9.076 12.649 -3.918 1.00 72.14 C ATOM 1216 CD PRO A 641 -8.804 13.117 -2.514 1.00 23.34 C ATOM 0 HA PRO A 641 -10.609 10.464 -1.953 1.00 64.13 H new ATOM 0 HB2 PRO A 641 -9.994 10.851 -4.634 1.00 54.05 H new ATOM 0 HB3 PRO A 641 -11.091 11.934 -3.801 1.00 54.05 H new ATOM 0 HG2 PRO A 641 -8.162 12.298 -4.396 1.00 72.14 H new ATOM 0 HG3 PRO A 641 -9.465 13.462 -4.532 1.00 72.14 H new ATOM 0 HD2 PRO A 641 -7.774 13.454 -2.395 1.00 23.34 H new ATOM 0 HD3 PRO A 641 -9.447 13.952 -2.237 1.00 23.34 H new ATOM 1221 N VAL A 642 -9.262 8.497 -2.244 1.00 45.54 N ATOM 1222 CA VAL A 642 -8.485 7.274 -2.404 1.00 31.11 C ATOM 1223 C VAL A 642 -9.032 6.420 -3.543 1.00 13.12 C ATOM 1224 O VAL A 642 -10.234 6.180 -3.650 1.00 53.20 O ATOM 1225 CB VAL A 642 -8.479 6.440 -1.109 1.00 20.20 C ATOM 1226 CG1 VAL A 642 -7.389 5.379 -1.163 1.00 43.43 C ATOM 1227 CG2 VAL A 642 -8.299 7.340 0.104 1.00 32.31 C ATOM 0 H VAL A 642 -10.150 8.372 -1.758 1.00 45.54 H new ATOM 0 HA VAL A 642 -7.464 7.576 -2.638 1.00 31.11 H new ATOM 0 HB VAL A 642 -9.441 5.935 -1.018 1.00 20.20 H new ATOM 0 HG11 VAL A 642 -7.399 4.799 -0.240 1.00 43.43 H new ATOM 0 HG12 VAL A 642 -7.568 4.716 -2.010 1.00 43.43 H new ATOM 0 HG13 VAL A 642 -6.418 5.861 -1.278 1.00 43.43 H new ATOM 0 HG21 VAL A 642 -8.297 6.734 1.010 1.00 32.31 H new ATOM 0 HG22 VAL A 642 -7.352 7.875 0.023 1.00 32.31 H new ATOM 0 HG23 VAL A 642 -9.118 8.058 0.149 1.00 32.31 H new ATOM 1237 N PRO A 643 -8.128 5.949 -4.415 1.00 1.24 N ATOM 1238 CA PRO A 643 -8.496 5.114 -5.562 1.00 64.21 C ATOM 1239 C PRO A 643 -8.960 3.723 -5.141 1.00 74.05 C ATOM 1240 O PRO A 643 -8.276 3.034 -4.385 1.00 10.24 O ATOM 1241 CB PRO A 643 -7.197 5.023 -6.366 1.00 34.44 C ATOM 1242 CG PRO A 643 -6.115 5.240 -5.364 1.00 72.10 C ATOM 1243 CD PRO A 643 -6.678 6.195 -4.349 1.00 61.02 C ATOM 0 HA PRO A 643 -9.331 5.535 -6.122 1.00 64.21 H new ATOM 0 HB2 PRO A 643 -7.099 4.052 -6.851 1.00 34.44 H new ATOM 0 HB3 PRO A 643 -7.165 5.777 -7.153 1.00 34.44 H new ATOM 0 HG2 PRO A 643 -5.822 4.300 -4.896 1.00 72.10 H new ATOM 0 HG3 PRO A 643 -5.223 5.652 -5.836 1.00 72.10 H new ATOM 0 HD2 PRO A 643 -6.283 6.001 -3.352 1.00 61.02 H new ATOM 0 HD3 PRO A 643 -6.435 7.229 -4.592 1.00 61.02 H new ATOM 1248 N GLN A 644 -10.125 3.319 -5.635 1.00 20.23 N ATOM 1249 CA GLN A 644 -10.680 2.010 -5.310 1.00 60.25 C ATOM 1250 C GLN A 644 -9.794 0.893 -5.851 1.00 32.32 C ATOM 1251 O GLN A 644 -9.827 -0.235 -5.356 1.00 15.43 O ATOM 1252 CB GLN A 644 -12.094 1.876 -5.877 1.00 31.04 C ATOM 1253 CG GLN A 644 -12.919 0.790 -5.205 1.00 73.12 C ATOM 1254 CD GLN A 644 -14.041 0.280 -6.087 1.00 41.15 C ATOM 1255 OE1 GLN A 644 -13.806 -0.205 -7.194 1.00 51.34 O ATOM 1256 NE2 GLN A 644 -15.272 0.388 -5.600 1.00 43.51 N ATOM 0 H GLN A 644 -10.703 3.879 -6.262 1.00 20.23 H new ATOM 0 HA GLN A 644 -10.722 1.921 -4.224 1.00 60.25 H new ATOM 0 HB2 GLN A 644 -12.610 2.830 -5.772 1.00 31.04 H new ATOM 0 HB3 GLN A 644 -12.030 1.664 -6.944 1.00 31.04 H new ATOM 0 HG2 GLN A 644 -12.268 -0.041 -4.935 1.00 73.12 H new ATOM 0 HG3 GLN A 644 -13.339 1.180 -4.278 1.00 73.12 H new ATOM 0 HE21 GLN A 644 -15.421 0.797 -4.677 1.00 43.51 H new ATOM 0 HE22 GLN A 644 -16.068 0.062 -6.149 1.00 43.51 H new ATOM 1263 N ASP A 645 -9.003 1.214 -6.870 1.00 24.20 N ATOM 1264 CA ASP A 645 -8.107 0.237 -7.478 1.00 61.10 C ATOM 1265 C ASP A 645 -7.123 -0.313 -6.450 1.00 25.34 C ATOM 1266 O ASP A 645 -6.903 -1.523 -6.372 1.00 54.23 O ATOM 1267 CB ASP A 645 -7.345 0.870 -8.644 1.00 63.43 C ATOM 1268 CG ASP A 645 -6.498 -0.137 -9.397 1.00 65.40 C ATOM 1269 OD1 ASP A 645 -7.075 -1.083 -9.975 1.00 53.41 O ATOM 1270 OD2 ASP A 645 -5.260 0.017 -9.408 1.00 74.54 O ATOM 0 H ASP A 645 -8.964 2.142 -7.292 1.00 24.20 H new ATOM 0 HA ASP A 645 -8.711 -0.589 -7.853 1.00 61.10 H new ATOM 0 HB2 ASP A 645 -8.055 1.329 -9.332 1.00 63.43 H new ATOM 0 HB3 ASP A 645 -6.706 1.668 -8.266 1.00 63.43 H new ATOM 1274 N LEU A 646 -6.535 0.582 -5.664 1.00 23.33 N ATOM 1275 CA LEU A 646 -5.573 0.186 -4.642 1.00 61.54 C ATOM 1276 C LEU A 646 -6.276 -0.484 -3.463 1.00 14.34 C ATOM 1277 O LEU A 646 -5.919 -1.593 -3.064 1.00 2.11 O ATOM 1278 CB LEU A 646 -4.786 1.404 -4.154 1.00 42.22 C ATOM 1279 CG LEU A 646 -4.172 2.285 -5.243 1.00 22.53 C ATOM 1280 CD1 LEU A 646 -3.306 3.371 -4.625 1.00 11.01 C ATOM 1281 CD2 LEU A 646 -3.361 1.443 -6.217 1.00 61.33 C ATOM 0 H LEU A 646 -6.707 1.586 -5.715 1.00 23.33 H new ATOM 0 HA LEU A 646 -4.883 -0.531 -5.087 1.00 61.54 H new ATOM 0 HB2 LEU A 646 -5.449 2.020 -3.546 1.00 42.22 H new ATOM 0 HB3 LEU A 646 -3.985 1.057 -3.501 1.00 42.22 H new ATOM 0 HG LEU A 646 -4.981 2.764 -5.795 1.00 22.53 H new ATOM 0 HD11 LEU A 646 -2.877 3.988 -5.415 1.00 11.01 H new ATOM 0 HD12 LEU A 646 -3.915 3.993 -3.969 1.00 11.01 H new ATOM 0 HD13 LEU A 646 -2.504 2.912 -4.048 1.00 11.01 H new ATOM 0 HD21 LEU A 646 -2.932 2.087 -6.985 1.00 61.33 H new ATOM 0 HD22 LEU A 646 -2.560 0.935 -5.680 1.00 61.33 H new ATOM 0 HD23 LEU A 646 -4.010 0.703 -6.685 1.00 61.33 H new ATOM 1292 N LEU A 647 -7.276 0.196 -2.915 1.00 64.53 N ATOM 1293 CA LEU A 647 -8.031 -0.334 -1.784 1.00 14.14 C ATOM 1294 C LEU A 647 -8.562 -1.731 -2.091 1.00 42.12 C ATOM 1295 O LEU A 647 -8.354 -2.668 -1.321 1.00 72.21 O ATOM 1296 CB LEU A 647 -9.191 0.601 -1.437 1.00 32.44 C ATOM 1297 CG LEU A 647 -8.805 1.979 -0.902 1.00 55.35 C ATOM 1298 CD1 LEU A 647 -10.039 2.738 -0.439 1.00 3.12 C ATOM 1299 CD2 LEU A 647 -7.801 1.847 0.235 1.00 54.33 C ATOM 0 H LEU A 647 -7.583 1.115 -3.234 1.00 64.53 H new ATOM 0 HA LEU A 647 -7.359 -0.401 -0.929 1.00 14.14 H new ATOM 0 HB2 LEU A 647 -9.801 0.738 -2.330 1.00 32.44 H new ATOM 0 HB3 LEU A 647 -9.819 0.108 -0.695 1.00 32.44 H new ATOM 0 HG LEU A 647 -8.339 2.543 -1.710 1.00 55.35 H new ATOM 0 HD11 LEU A 647 -9.744 3.717 -0.061 1.00 3.12 H new ATOM 0 HD12 LEU A 647 -10.724 2.864 -1.277 1.00 3.12 H new ATOM 0 HD13 LEU A 647 -10.535 2.178 0.354 1.00 3.12 H new ATOM 0 HD21 LEU A 647 -7.537 2.838 0.604 1.00 54.33 H new ATOM 0 HD22 LEU A 647 -8.242 1.264 1.044 1.00 54.33 H new ATOM 0 HD23 LEU A 647 -6.904 1.344 -0.128 1.00 54.33 H new ATOM 1310 N ASP A 648 -9.248 -1.862 -3.221 1.00 64.23 N ATOM 1311 CA ASP A 648 -9.806 -3.145 -3.631 1.00 13.31 C ATOM 1312 C ASP A 648 -8.718 -4.211 -3.715 1.00 55.35 C ATOM 1313 O ASP A 648 -8.922 -5.355 -3.311 1.00 4.45 O ATOM 1314 CB ASP A 648 -10.510 -3.010 -4.983 1.00 23.21 C ATOM 1315 CG ASP A 648 -11.200 -4.292 -5.407 1.00 41.54 C ATOM 1316 OD1 ASP A 648 -11.564 -5.090 -4.519 1.00 4.12 O ATOM 1317 OD2 ASP A 648 -11.374 -4.496 -6.627 1.00 24.11 O ATOM 0 H ASP A 648 -9.431 -1.096 -3.869 1.00 64.23 H new ATOM 0 HA ASP A 648 -10.533 -3.453 -2.880 1.00 13.31 H new ATOM 0 HB2 ASP A 648 -11.244 -2.206 -4.928 1.00 23.21 H new ATOM 0 HB3 ASP A 648 -9.781 -2.725 -5.742 1.00 23.21 H new ATOM 1321 N ARG A 649 -7.560 -3.825 -4.243 1.00 72.54 N ATOM 1322 CA ARG A 649 -6.440 -4.748 -4.381 1.00 13.14 C ATOM 1323 C ARG A 649 -5.893 -5.149 -3.014 1.00 30.33 C ATOM 1324 O ARG A 649 -5.476 -6.290 -2.811 1.00 41.24 O ATOM 1325 CB ARG A 649 -5.328 -4.112 -5.220 1.00 4.22 C ATOM 1326 CG ARG A 649 -5.623 -4.101 -6.712 1.00 63.25 C ATOM 1327 CD ARG A 649 -5.345 -5.456 -7.344 1.00 43.22 C ATOM 1328 NE ARG A 649 -6.522 -6.322 -7.321 1.00 40.44 N ATOM 1329 CZ ARG A 649 -6.550 -7.537 -7.856 1.00 5.42 C ATOM 1330 NH1 ARG A 649 -5.474 -8.028 -8.453 1.00 74.21 N ATOM 1331 NH2 ARG A 649 -7.658 -8.264 -7.794 1.00 10.50 N ATOM 0 H ARG A 649 -7.374 -2.881 -4.581 1.00 72.54 H new ATOM 0 HA ARG A 649 -6.801 -5.644 -4.886 1.00 13.14 H new ATOM 0 HB2 ARG A 649 -5.169 -3.088 -4.882 1.00 4.22 H new ATOM 0 HB3 ARG A 649 -4.398 -4.653 -5.046 1.00 4.22 H new ATOM 0 HG2 ARG A 649 -6.666 -3.829 -6.876 1.00 63.25 H new ATOM 0 HG3 ARG A 649 -5.014 -3.339 -7.199 1.00 63.25 H new ATOM 0 HD2 ARG A 649 -5.018 -5.315 -8.374 1.00 43.22 H new ATOM 0 HD3 ARG A 649 -4.526 -5.942 -6.814 1.00 43.22 H new ATOM 0 HE ARG A 649 -7.368 -5.974 -6.869 1.00 40.44 H new ATOM 0 HH11 ARG A 649 -4.620 -7.472 -8.503 1.00 74.21 H new ATOM 0 HH12 ARG A 649 -5.499 -8.962 -8.863 1.00 74.21 H new ATOM 0 HH21 ARG A 649 -8.489 -7.890 -7.335 1.00 10.50 H new ATOM 0 HH22 ARG A 649 -7.679 -9.197 -8.205 1.00 10.50 H new ATOM 1342 N VAL A 650 -5.898 -4.203 -2.081 1.00 64.03 N ATOM 1343 CA VAL A 650 -5.403 -4.458 -0.733 1.00 44.25 C ATOM 1344 C VAL A 650 -6.268 -5.489 -0.015 1.00 2.04 C ATOM 1345 O VAL A 650 -5.769 -6.507 0.466 1.00 73.11 O ATOM 1346 CB VAL A 650 -5.364 -3.165 0.104 1.00 65.30 C ATOM 1347 CG1 VAL A 650 -5.229 -3.491 1.584 1.00 25.25 C ATOM 1348 CG2 VAL A 650 -4.228 -2.266 -0.358 1.00 50.42 C ATOM 0 H VAL A 650 -6.239 -3.254 -2.233 1.00 64.03 H new ATOM 0 HA VAL A 650 -4.390 -4.847 -0.836 1.00 44.25 H new ATOM 0 HB VAL A 650 -6.302 -2.630 -0.041 1.00 65.30 H new ATOM 0 HG11 VAL A 650 -5.203 -2.566 2.159 1.00 25.25 H new ATOM 0 HG12 VAL A 650 -6.080 -4.093 1.903 1.00 25.25 H new ATOM 0 HG13 VAL A 650 -4.307 -4.048 1.751 1.00 25.25 H new ATOM 0 HG21 VAL A 650 -4.215 -1.357 0.244 1.00 50.42 H new ATOM 0 HG22 VAL A 650 -3.279 -2.790 -0.244 1.00 50.42 H new ATOM 0 HG23 VAL A 650 -4.374 -2.005 -1.406 1.00 50.42 H new ATOM 1358 N LEU A 651 -7.567 -5.219 0.052 1.00 34.02 N ATOM 1359 CA LEU A 651 -8.503 -6.124 0.710 1.00 41.45 C ATOM 1360 C LEU A 651 -8.545 -7.474 0.002 1.00 2.25 C ATOM 1361 O LEU A 651 -8.893 -8.491 0.601 1.00 75.34 O ATOM 1362 CB LEU A 651 -9.903 -5.507 0.740 1.00 64.50 C ATOM 1363 CG LEU A 651 -10.156 -4.470 1.835 1.00 71.21 C ATOM 1364 CD1 LEU A 651 -11.503 -3.794 1.630 1.00 34.54 C ATOM 1365 CD2 LEU A 651 -10.087 -5.118 3.210 1.00 73.24 C ATOM 0 H LEU A 651 -7.996 -4.381 -0.341 1.00 34.02 H new ATOM 0 HA LEU A 651 -8.160 -6.282 1.732 1.00 41.45 H new ATOM 0 HB2 LEU A 651 -10.093 -5.040 -0.226 1.00 64.50 H new ATOM 0 HB3 LEU A 651 -10.630 -6.311 0.854 1.00 64.50 H new ATOM 0 HG LEU A 651 -9.378 -3.709 1.774 1.00 71.21 H new ATOM 0 HD11 LEU A 651 -11.665 -3.059 2.419 1.00 34.54 H new ATOM 0 HD12 LEU A 651 -11.516 -3.295 0.661 1.00 34.54 H new ATOM 0 HD13 LEU A 651 -12.295 -4.543 1.663 1.00 34.54 H new ATOM 0 HD21 LEU A 651 -10.269 -4.365 3.977 1.00 73.24 H new ATOM 0 HD22 LEU A 651 -10.843 -5.900 3.282 1.00 73.24 H new ATOM 0 HD23 LEU A 651 -9.099 -5.554 3.358 1.00 73.24 H new ATOM 1376 N ALA A 652 -8.187 -7.476 -1.278 1.00 1.32 N ATOM 1377 CA ALA A 652 -8.180 -8.702 -2.068 1.00 53.34 C ATOM 1378 C ALA A 652 -7.079 -9.648 -1.600 1.00 11.15 C ATOM 1379 O ALA A 652 -7.334 -10.818 -1.314 1.00 72.23 O ATOM 1380 CB ALA A 652 -8.009 -8.377 -3.544 1.00 22.32 C ATOM 0 H ALA A 652 -7.898 -6.643 -1.790 1.00 1.32 H new ATOM 0 HA ALA A 652 -9.138 -9.203 -1.927 1.00 53.34 H new ATOM 0 HB1 ALA A 652 -8.005 -9.301 -4.122 1.00 22.32 H new ATOM 0 HB2 ALA A 652 -8.833 -7.745 -3.875 1.00 22.32 H new ATOM 0 HB3 ALA A 652 -7.066 -7.852 -3.694 1.00 22.32 H new ATOM 1386 N ALA A 653 -5.855 -9.135 -1.528 1.00 23.34 N ATOM 1387 CA ALA A 653 -4.716 -9.935 -1.095 1.00 24.14 C ATOM 1388 C ALA A 653 -4.725 -10.129 0.417 1.00 2.05 C ATOM 1389 O ALA A 653 -4.605 -11.252 0.909 1.00 34.22 O ATOM 1390 CB ALA A 653 -3.415 -9.283 -1.538 1.00 33.11 C ATOM 0 H ALA A 653 -5.627 -8.169 -1.764 1.00 23.34 H new ATOM 0 HA ALA A 653 -4.795 -10.917 -1.561 1.00 24.14 H new ATOM 0 HB1 ALA A 653 -2.573 -9.891 -1.208 1.00 33.11 H new ATOM 0 HB2 ALA A 653 -3.400 -9.202 -2.625 1.00 33.11 H new ATOM 0 HB3 ALA A 653 -3.339 -8.288 -1.099 1.00 33.11 H new ATOM 1396 N HIS A 654 -4.868 -9.029 1.150 1.00 22.13 N ATOM 1397 CA HIS A 654 -4.892 -9.080 2.607 1.00 62.22 C ATOM 1398 C HIS A 654 -5.926 -10.089 3.099 1.00 72.21 C ATOM 1399 O HIS A 654 -5.754 -10.706 4.150 1.00 2.34 O ATOM 1400 CB HIS A 654 -5.199 -7.697 3.181 1.00 10.11 C ATOM 1401 CG HIS A 654 -4.141 -6.678 2.888 1.00 30.22 C ATOM 1402 ND1 HIS A 654 -3.844 -5.634 3.739 1.00 5.13 N ATOM 1403 CD2 HIS A 654 -3.305 -6.548 1.831 1.00 23.21 C ATOM 1404 CE1 HIS A 654 -2.873 -4.906 3.217 1.00 42.54 C ATOM 1405 NE2 HIS A 654 -2.528 -5.440 2.059 1.00 63.13 N ATOM 0 H HIS A 654 -4.969 -8.092 0.759 1.00 22.13 H new ATOM 0 HA HIS A 654 -3.908 -9.398 2.951 1.00 62.22 H new ATOM 0 HB2 HIS A 654 -6.149 -7.348 2.777 1.00 10.11 H new ATOM 0 HB3 HIS A 654 -5.323 -7.780 4.261 1.00 10.11 H new ATOM 0 HD1 HIS A 654 -4.302 -5.452 4.632 1.00 5.13 H new ATOM 0 HD2 HIS A 654 -3.258 -7.196 0.968 1.00 23.21 H new ATOM 0 HE1 HIS A 654 -2.436 -4.024 3.661 1.00 42.54 H new ATOM 1412 N ALA A 655 -7.000 -10.250 2.332 1.00 73.11 N ATOM 1413 CA ALA A 655 -8.060 -11.183 2.689 1.00 63.41 C ATOM 1414 C ALA A 655 -7.639 -12.623 2.412 1.00 4.30 C ATOM 1415 O ALA A 655 -7.821 -13.505 3.251 1.00 45.03 O ATOM 1416 CB ALA A 655 -9.335 -10.849 1.931 1.00 3.32 C ATOM 0 H ALA A 655 -7.158 -9.746 1.460 1.00 73.11 H new ATOM 0 HA ALA A 655 -8.251 -11.086 3.758 1.00 63.41 H new ATOM 0 HB1 ALA A 655 -10.118 -11.555 2.208 1.00 3.32 H new ATOM 0 HB2 ALA A 655 -9.653 -9.837 2.182 1.00 3.32 H new ATOM 0 HB3 ALA A 655 -9.149 -10.916 0.859 1.00 3.32 H new ATOM 1422 N TYR A 656 -7.079 -12.854 1.230 1.00 54.44 N ATOM 1423 CA TYR A 656 -6.635 -14.188 0.842 1.00 51.42 C ATOM 1424 C TYR A 656 -5.493 -14.663 1.734 1.00 74.51 C ATOM 1425 O TYR A 656 -5.419 -15.838 2.093 1.00 31.33 O ATOM 1426 CB TYR A 656 -6.192 -14.193 -0.621 1.00 24.14 C ATOM 1427 CG TYR A 656 -5.665 -15.532 -1.089 1.00 71.53 C ATOM 1428 CD1 TYR A 656 -6.533 -16.567 -1.414 1.00 35.03 C ATOM 1429 CD2 TYR A 656 -4.300 -15.760 -1.205 1.00 30.14 C ATOM 1430 CE1 TYR A 656 -6.056 -17.792 -1.840 1.00 33.13 C ATOM 1431 CE2 TYR A 656 -3.814 -16.981 -1.633 1.00 21.50 C ATOM 1432 CZ TYR A 656 -4.695 -17.994 -1.949 1.00 42.25 C ATOM 1433 OH TYR A 656 -4.216 -19.212 -2.374 1.00 52.14 O ATOM 0 H TYR A 656 -6.922 -12.135 0.524 1.00 54.44 H new ATOM 0 HA TYR A 656 -7.474 -14.873 0.963 1.00 51.42 H new ATOM 0 HB2 TYR A 656 -7.035 -13.904 -1.248 1.00 24.14 H new ATOM 0 HB3 TYR A 656 -5.418 -13.438 -0.760 1.00 24.14 H new ATOM 0 HD1 TYR A 656 -7.599 -16.412 -1.332 1.00 35.03 H new ATOM 0 HD2 TYR A 656 -3.607 -14.970 -0.957 1.00 30.14 H new ATOM 0 HE1 TYR A 656 -6.744 -18.587 -2.086 1.00 33.13 H new ATOM 0 HE2 TYR A 656 -2.749 -17.141 -1.720 1.00 21.50 H new ATOM 0 HH TYR A 656 -3.237 -19.188 -2.397 1.00 52.14 H new ATOM 1442 N TRP A 657 -4.605 -13.741 2.088 1.00 40.01 N ATOM 1443 CA TRP A 657 -3.465 -14.065 2.939 1.00 32.34 C ATOM 1444 C TRP A 657 -3.916 -14.361 4.364 1.00 42.41 C ATOM 1445 O TRP A 657 -3.393 -15.265 5.016 1.00 50.41 O ATOM 1446 CB TRP A 657 -2.458 -12.914 2.937 1.00 3.33 C ATOM 1447 CG TRP A 657 -1.724 -12.768 1.638 1.00 71.34 C ATOM 1448 CD1 TRP A 657 -1.593 -11.632 0.894 1.00 13.31 C ATOM 1449 CD2 TRP A 657 -1.020 -13.796 0.932 1.00 50.30 C ATOM 1450 NE1 TRP A 657 -0.851 -11.890 -0.234 1.00 65.12 N ATOM 1451 CE2 TRP A 657 -0.487 -13.211 -0.233 1.00 3.31 C ATOM 1452 CE3 TRP A 657 -0.788 -15.153 1.171 1.00 24.42 C ATOM 1453 CZ2 TRP A 657 0.262 -13.937 -1.155 1.00 41.34 C ATOM 1454 CZ3 TRP A 657 -0.044 -15.873 0.255 1.00 54.34 C ATOM 1455 CH2 TRP A 657 0.474 -15.263 -0.896 1.00 64.30 C ATOM 0 H TRP A 657 -4.652 -12.764 1.799 1.00 40.01 H new ATOM 0 HA TRP A 657 -2.986 -14.958 2.538 1.00 32.34 H new ATOM 0 HB2 TRP A 657 -2.981 -11.983 3.157 1.00 3.33 H new ATOM 0 HB3 TRP A 657 -1.736 -13.071 3.738 1.00 3.33 H new ATOM 0 HD1 TRP A 657 -2.011 -10.671 1.153 1.00 13.31 H new ATOM 0 HE1 TRP A 657 -0.611 -11.209 -0.954 1.00 65.12 H new ATOM 0 HE3 TRP A 657 -1.183 -15.631 2.055 1.00 24.42 H new ATOM 0 HZ2 TRP A 657 0.661 -13.470 -2.043 1.00 41.34 H new ATOM 0 HZ3 TRP A 657 0.141 -16.923 0.429 1.00 54.34 H new ATOM 0 HH2 TRP A 657 1.052 -15.852 -1.592 1.00 64.30 H new ATOM 1465 N SER A 658 -4.891 -13.593 4.843 1.00 73.20 N ATOM 1466 CA SER A 658 -5.410 -13.771 6.194 1.00 32.43 C ATOM 1467 C SER A 658 -5.918 -15.194 6.398 1.00 22.31 C ATOM 1468 O SER A 658 -5.557 -15.861 7.367 1.00 13.02 O ATOM 1469 CB SER A 658 -6.536 -12.771 6.466 1.00 34.40 C ATOM 1470 OG SER A 658 -7.419 -13.257 7.463 1.00 54.33 O ATOM 0 H SER A 658 -5.337 -12.842 4.315 1.00 73.20 H new ATOM 0 HA SER A 658 -4.596 -13.591 6.896 1.00 32.43 H new ATOM 0 HB2 SER A 658 -6.112 -11.819 6.784 1.00 34.40 H new ATOM 0 HB3 SER A 658 -7.089 -12.582 5.546 1.00 34.40 H new ATOM 0 HG SER A 658 -8.129 -12.600 7.620 1.00 54.33 H new ATOM 1475 N GLN A 659 -6.759 -15.654 5.476 1.00 51.41 N ATOM 1476 CA GLN A 659 -7.318 -16.998 5.554 1.00 61.22 C ATOM 1477 C GLN A 659 -6.224 -18.052 5.421 1.00 14.41 C ATOM 1478 O GLN A 659 -6.386 -19.188 5.864 1.00 73.44 O ATOM 1479 CB GLN A 659 -8.372 -17.199 4.464 1.00 64.35 C ATOM 1480 CG GLN A 659 -7.805 -17.162 3.055 1.00 14.12 C ATOM 1481 CD GLN A 659 -8.762 -17.727 2.025 1.00 41.21 C ATOM 1482 OE1 GLN A 659 -9.124 -17.052 1.060 1.00 42.43 O ATOM 1483 NE2 GLN A 659 -9.180 -18.971 2.224 1.00 31.22 N ATOM 0 H GLN A 659 -7.068 -15.115 4.667 1.00 51.41 H new ATOM 0 HA GLN A 659 -7.789 -17.112 6.530 1.00 61.22 H new ATOM 0 HB2 GLN A 659 -8.868 -18.157 4.622 1.00 64.35 H new ATOM 0 HB3 GLN A 659 -9.134 -16.426 4.560 1.00 64.35 H new ATOM 0 HG2 GLN A 659 -7.561 -16.132 2.793 1.00 14.12 H new ATOM 0 HG3 GLN A 659 -6.873 -17.727 3.028 1.00 14.12 H new ATOM 0 HE21 GLN A 659 -8.855 -19.494 3.037 1.00 31.22 H new ATOM 0 HE22 GLN A 659 -9.826 -19.404 1.564 1.00 31.22 H new