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 23:sc= 0.0767 USER MOD Single : A 594 HIS : no HD1:sc= 0.00637 K(o=0.0064,f=-0.66) USER MOD Single : A 597 THR OG1 : rot 180:sc= 0 USER MOD Single : A 604 LYS NZ :NH3+ 152:sc= 0.0435 (180deg=0) USER MOD Single : A 605 MET CE :methyl -171:sc= 0 (180deg=-0.0999) 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 625 THR OG1 : rot 180:sc= 0 USER MOD Single : A 628 HIS : no HD1:sc= -0.35 X(o=-0.35,f=-0.019) USER MOD Single : A 629 THR OG1 : rot 180:sc= 0 USER MOD Single : A 631 SER OG : rot 65:sc= 1.24 USER MOD Single : A 644 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 654 HIS : no HE2:sc= -4.29! C(o=-4.3!,f=-4.8!) 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 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 321 N SER A 581 1.022 10.472 -2.228 1.00 13.31 N ATOM 322 CA SER A 581 0.394 10.569 -3.541 1.00 73.03 C ATOM 323 C SER A 581 0.074 9.183 -4.094 1.00 40.34 C ATOM 324 O SER A 581 0.662 8.185 -3.679 1.00 72.34 O ATOM 325 CB SER A 581 1.308 11.318 -4.512 1.00 12.22 C ATOM 326 OG SER A 581 1.615 12.614 -4.027 1.00 15.23 O ATOM 0 HA SER A 581 -0.539 11.122 -3.430 1.00 73.03 H new ATOM 0 HB2 SER A 581 2.229 10.753 -4.658 1.00 12.22 H new ATOM 0 HB3 SER A 581 0.824 11.396 -5.485 1.00 12.22 H new ATOM 0 HG SER A 581 1.503 12.634 -3.054 1.00 15.23 H new ATOM 331 N VAL A 582 -0.865 9.131 -5.034 1.00 64.23 N ATOM 332 CA VAL A 582 -1.265 7.869 -5.645 1.00 42.42 C ATOM 333 C VAL A 582 -0.061 7.130 -6.218 1.00 40.51 C ATOM 334 O VAL A 582 -0.025 5.900 -6.235 1.00 12.43 O ATOM 335 CB VAL A 582 -2.299 8.091 -6.764 1.00 3.35 C ATOM 336 CG1 VAL A 582 -3.589 8.662 -6.196 1.00 22.22 C ATOM 337 CG2 VAL A 582 -1.731 9.003 -7.841 1.00 35.42 C ATOM 0 H VAL A 582 -1.362 9.948 -5.389 1.00 64.23 H new ATOM 0 HA VAL A 582 -1.717 7.265 -4.858 1.00 42.42 H new ATOM 0 HB VAL A 582 -2.527 7.127 -7.219 1.00 3.35 H new ATOM 0 HG11 VAL A 582 -4.307 8.812 -7.003 1.00 22.22 H new ATOM 0 HG12 VAL A 582 -4.004 7.967 -5.465 1.00 22.22 H new ATOM 0 HG13 VAL A 582 -3.382 9.617 -5.712 1.00 22.22 H new ATOM 0 HG21 VAL A 582 -2.475 9.149 -8.624 1.00 35.42 H new ATOM 0 HG22 VAL A 582 -1.472 9.967 -7.402 1.00 35.42 H new ATOM 0 HG23 VAL A 582 -0.838 8.548 -8.270 1.00 35.42 H new ATOM 347 N ALA A 583 0.924 7.890 -6.687 1.00 4.13 N ATOM 348 CA ALA A 583 2.131 7.307 -7.259 1.00 51.32 C ATOM 349 C ALA A 583 2.919 6.534 -6.207 1.00 13.32 C ATOM 350 O ALA A 583 3.349 5.407 -6.447 1.00 23.22 O ATOM 351 CB ALA A 583 2.998 8.393 -7.880 1.00 73.32 C ATOM 0 H ALA A 583 0.909 8.910 -6.682 1.00 4.13 H new ATOM 0 HA ALA A 583 1.833 6.606 -8.038 1.00 51.32 H new ATOM 0 HB1 ALA A 583 3.896 7.944 -8.303 1.00 73.32 H new ATOM 0 HB2 ALA A 583 2.439 8.899 -8.668 1.00 73.32 H new ATOM 0 HB3 ALA A 583 3.280 9.116 -7.114 1.00 73.32 H new ATOM 357 N GLU A 584 3.105 7.149 -5.044 1.00 61.32 N ATOM 358 CA GLU A 584 3.844 6.518 -3.956 1.00 1.32 C ATOM 359 C GLU A 584 3.017 5.412 -3.306 1.00 13.12 C ATOM 360 O GLU A 584 3.521 4.324 -3.030 1.00 35.14 O ATOM 361 CB GLU A 584 4.238 7.558 -2.906 1.00 13.34 C ATOM 362 CG GLU A 584 5.025 8.728 -3.474 1.00 1.11 C ATOM 363 CD GLU A 584 6.508 8.636 -3.169 1.00 53.00 C ATOM 364 OE1 GLU A 584 7.114 7.591 -3.485 1.00 34.54 O ATOM 365 OE2 GLU A 584 7.061 9.608 -2.614 1.00 22.02 O ATOM 0 H GLU A 584 2.755 8.083 -4.830 1.00 61.32 H new ATOM 0 HA GLU A 584 4.748 6.075 -4.375 1.00 1.32 H new ATOM 0 HB2 GLU A 584 3.336 7.937 -2.426 1.00 13.34 H new ATOM 0 HB3 GLU A 584 4.832 7.073 -2.131 1.00 13.34 H new ATOM 0 HG2 GLU A 584 4.882 8.768 -4.554 1.00 1.11 H new ATOM 0 HG3 GLU A 584 4.631 9.659 -3.066 1.00 1.11 H new ATOM 370 N VAL A 585 1.741 5.699 -3.065 1.00 13.12 N ATOM 371 CA VAL A 585 0.843 4.730 -2.449 1.00 72.41 C ATOM 372 C VAL A 585 0.683 3.494 -3.326 1.00 73.32 C ATOM 373 O VAL A 585 0.559 2.378 -2.824 1.00 3.44 O ATOM 374 CB VAL A 585 -0.546 5.343 -2.183 1.00 24.15 C ATOM 375 CG1 VAL A 585 -1.481 4.304 -1.584 1.00 22.34 C ATOM 376 CG2 VAL A 585 -0.428 6.555 -1.272 1.00 12.21 C ATOM 0 H VAL A 585 1.307 6.595 -3.287 1.00 13.12 H new ATOM 0 HA VAL A 585 1.292 4.441 -1.499 1.00 72.41 H new ATOM 0 HB VAL A 585 -0.967 5.672 -3.133 1.00 24.15 H new ATOM 0 HG11 VAL A 585 -2.457 4.754 -1.403 1.00 22.34 H new ATOM 0 HG12 VAL A 585 -1.589 3.470 -2.277 1.00 22.34 H new ATOM 0 HG13 VAL A 585 -1.068 3.942 -0.642 1.00 22.34 H new ATOM 0 HG21 VAL A 585 -1.418 6.975 -1.095 1.00 12.21 H new ATOM 0 HG22 VAL A 585 0.014 6.254 -0.322 1.00 12.21 H new ATOM 0 HG23 VAL A 585 0.205 7.306 -1.745 1.00 12.21 H new ATOM 386 N GLU A 586 0.687 3.703 -4.639 1.00 42.30 N ATOM 387 CA GLU A 586 0.540 2.603 -5.586 1.00 33.52 C ATOM 388 C GLU A 586 1.638 1.562 -5.384 1.00 1.41 C ATOM 389 O GLU A 586 1.413 0.366 -5.564 1.00 64.33 O ATOM 390 CB GLU A 586 0.580 3.130 -7.022 1.00 0.05 C ATOM 391 CG GLU A 586 -0.792 3.441 -7.595 1.00 73.12 C ATOM 392 CD GLU A 586 -0.749 4.522 -8.658 1.00 41.11 C ATOM 393 OE1 GLU A 586 0.220 4.541 -9.445 1.00 2.12 O ATOM 394 OE2 GLU A 586 -1.685 5.347 -8.704 1.00 73.12 O ATOM 0 H GLU A 586 0.790 4.621 -5.071 1.00 42.30 H new ATOM 0 HA GLU A 586 -0.425 2.128 -5.407 1.00 33.52 H new ATOM 0 HB2 GLU A 586 1.190 4.033 -7.052 1.00 0.05 H new ATOM 0 HB3 GLU A 586 1.071 2.393 -7.657 1.00 0.05 H new ATOM 0 HG2 GLU A 586 -1.217 2.533 -8.022 1.00 73.12 H new ATOM 0 HG3 GLU A 586 -1.455 3.755 -6.789 1.00 73.12 H new ATOM 399 N ALA A 587 2.825 2.027 -5.010 1.00 12.25 N ATOM 400 CA ALA A 587 3.956 1.137 -4.783 1.00 33.51 C ATOM 401 C ALA A 587 3.756 0.306 -3.519 1.00 13.13 C ATOM 402 O ALA A 587 3.990 -0.903 -3.516 1.00 42.14 O ATOM 403 CB ALA A 587 5.248 1.938 -4.691 1.00 3.13 C ATOM 0 H ALA A 587 3.028 3.015 -4.858 1.00 12.25 H new ATOM 0 HA ALA A 587 4.024 0.453 -5.629 1.00 33.51 H new ATOM 0 HB1 ALA A 587 6.085 1.260 -4.521 1.00 3.13 H new ATOM 0 HB2 ALA A 587 5.405 2.483 -5.622 1.00 3.13 H new ATOM 0 HB3 ALA A 587 5.180 2.645 -3.864 1.00 3.13 H new ATOM 409 N LEU A 588 3.324 0.962 -2.448 1.00 11.23 N ATOM 410 CA LEU A 588 3.092 0.284 -1.178 1.00 71.21 C ATOM 411 C LEU A 588 2.118 -0.877 -1.349 1.00 55.01 C ATOM 412 O LEU A 588 2.424 -2.016 -0.997 1.00 32.02 O ATOM 413 CB LEU A 588 2.551 1.271 -0.142 1.00 22.21 C ATOM 414 CG LEU A 588 2.630 0.822 1.318 1.00 34.11 C ATOM 415 CD1 LEU A 588 1.639 -0.300 1.586 1.00 23.32 C ATOM 416 CD2 LEU A 588 4.044 0.382 1.665 1.00 31.32 C ATOM 0 H LEU A 588 3.127 1.963 -2.434 1.00 11.23 H new ATOM 0 HA LEU A 588 4.044 -0.115 -0.828 1.00 71.21 H new ATOM 0 HB2 LEU A 588 3.097 2.209 -0.243 1.00 22.21 H new ATOM 0 HB3 LEU A 588 1.509 1.482 -0.380 1.00 22.21 H new ATOM 0 HG LEU A 588 2.369 1.669 1.953 1.00 34.11 H new ATOM 0 HD11 LEU A 588 1.710 -0.606 2.630 1.00 23.32 H new ATOM 0 HD12 LEU A 588 0.628 0.050 1.378 1.00 23.32 H new ATOM 0 HD13 LEU A 588 1.868 -1.149 0.942 1.00 23.32 H new ATOM 0 HD21 LEU A 588 4.081 0.066 2.708 1.00 31.32 H new ATOM 0 HD22 LEU A 588 4.334 -0.450 1.023 1.00 31.32 H new ATOM 0 HD23 LEU A 588 4.732 1.214 1.513 1.00 31.32 H new ATOM 427 N VAL A 589 0.943 -0.581 -1.896 1.00 72.43 N ATOM 428 CA VAL A 589 -0.075 -1.599 -2.118 1.00 4.30 C ATOM 429 C VAL A 589 0.425 -2.678 -3.073 1.00 73.01 C ATOM 430 O VAL A 589 0.396 -3.865 -2.753 1.00 41.35 O ATOM 431 CB VAL A 589 -1.369 -0.986 -2.686 1.00 31.50 C ATOM 432 CG1 VAL A 589 -2.463 -2.039 -2.781 1.00 75.42 C ATOM 433 CG2 VAL A 589 -1.820 0.189 -1.831 1.00 40.22 C ATOM 0 H VAL A 589 0.673 0.357 -2.193 1.00 72.43 H new ATOM 0 HA VAL A 589 -0.290 -2.047 -1.148 1.00 4.30 H new ATOM 0 HB VAL A 589 -1.166 -0.618 -3.692 1.00 31.50 H new ATOM 0 HG11 VAL A 589 -3.369 -1.587 -3.184 1.00 75.42 H new ATOM 0 HG12 VAL A 589 -2.136 -2.845 -3.438 1.00 75.42 H new ATOM 0 HG13 VAL A 589 -2.669 -2.441 -1.789 1.00 75.42 H new ATOM 0 HG21 VAL A 589 -2.735 0.611 -2.246 1.00 40.22 H new ATOM 0 HG22 VAL A 589 -2.007 -0.152 -0.813 1.00 40.22 H new ATOM 0 HG23 VAL A 589 -1.041 0.952 -1.821 1.00 40.22 H new ATOM 443 N GLU A 590 0.884 -2.254 -4.246 1.00 15.40 N ATOM 444 CA GLU A 590 1.390 -3.184 -5.248 1.00 13.31 C ATOM 445 C GLU A 590 2.422 -4.130 -4.640 1.00 10.33 C ATOM 446 O GLU A 590 2.398 -5.336 -4.891 1.00 74.45 O ATOM 447 CB GLU A 590 2.011 -2.419 -6.419 1.00 25.43 C ATOM 448 CG GLU A 590 0.992 -1.912 -7.424 1.00 55.12 C ATOM 449 CD GLU A 590 0.749 -2.893 -8.555 1.00 63.44 C ATOM 450 OE1 GLU A 590 0.227 -3.995 -8.280 1.00 13.02 O ATOM 451 OE2 GLU A 590 1.080 -2.561 -9.712 1.00 22.00 O ATOM 0 H GLU A 590 0.916 -1.274 -4.525 1.00 15.40 H new ATOM 0 HA GLU A 590 0.551 -3.776 -5.614 1.00 13.31 H new ATOM 0 HB2 GLU A 590 2.577 -1.573 -6.030 1.00 25.43 H new ATOM 0 HB3 GLU A 590 2.721 -3.069 -6.931 1.00 25.43 H new ATOM 0 HG2 GLU A 590 0.050 -1.713 -6.912 1.00 55.12 H new ATOM 0 HG3 GLU A 590 1.336 -0.964 -7.838 1.00 55.12 H new ATOM 456 N ALA A 591 3.326 -3.575 -3.841 1.00 3.21 N ATOM 457 CA ALA A 591 4.365 -4.369 -3.195 1.00 12.44 C ATOM 458 C ALA A 591 3.766 -5.333 -2.177 1.00 0.00 C ATOM 459 O ALA A 591 4.200 -6.480 -2.062 1.00 15.54 O ATOM 460 CB ALA A 591 5.386 -3.459 -2.528 1.00 61.24 C ATOM 0 H ALA A 591 3.361 -2.579 -3.625 1.00 3.21 H new ATOM 0 HA ALA A 591 4.867 -4.959 -3.962 1.00 12.44 H new ATOM 0 HB1 ALA A 591 6.156 -4.065 -2.050 1.00 61.24 H new ATOM 0 HB2 ALA A 591 5.845 -2.815 -3.279 1.00 61.24 H new ATOM 0 HB3 ALA A 591 4.890 -2.844 -1.777 1.00 61.24 H new ATOM 466 N VAL A 592 2.767 -4.861 -1.438 1.00 63.11 N ATOM 467 CA VAL A 592 2.109 -5.682 -0.429 1.00 55.10 C ATOM 468 C VAL A 592 1.288 -6.792 -1.075 1.00 64.33 C ATOM 469 O VAL A 592 1.063 -7.841 -0.471 1.00 23.44 O ATOM 470 CB VAL A 592 1.188 -4.834 0.470 1.00 64.32 C ATOM 471 CG1 VAL A 592 0.198 -5.723 1.208 1.00 33.43 C ATOM 472 CG2 VAL A 592 2.012 -4.011 1.449 1.00 1.40 C ATOM 0 H VAL A 592 2.396 -3.914 -1.519 1.00 63.11 H new ATOM 0 HA VAL A 592 2.895 -6.124 0.183 1.00 55.10 H new ATOM 0 HB VAL A 592 0.623 -4.148 -0.161 1.00 64.32 H new ATOM 0 HG11 VAL A 592 -0.444 -5.108 1.838 1.00 33.43 H new ATOM 0 HG12 VAL A 592 -0.413 -6.264 0.486 1.00 33.43 H new ATOM 0 HG13 VAL A 592 0.741 -6.435 1.830 1.00 33.43 H new ATOM 0 HG21 VAL A 592 1.346 -3.418 2.076 1.00 1.40 H new ATOM 0 HG22 VAL A 592 2.604 -4.677 2.076 1.00 1.40 H new ATOM 0 HG23 VAL A 592 2.677 -3.347 0.897 1.00 1.40 H new ATOM 482 N GLU A 593 0.843 -6.555 -2.304 1.00 34.54 N ATOM 483 CA GLU A 593 0.047 -7.536 -3.031 1.00 10.42 C ATOM 484 C GLU A 593 0.920 -8.687 -3.525 1.00 73.01 C ATOM 485 O GLU A 593 0.495 -9.843 -3.537 1.00 54.43 O ATOM 486 CB GLU A 593 -0.662 -6.874 -4.215 1.00 5.33 C ATOM 487 CG GLU A 593 -2.143 -6.635 -3.980 1.00 71.13 C ATOM 488 CD GLU A 593 -2.978 -6.879 -5.222 1.00 0.41 C ATOM 489 OE1 GLU A 593 -2.414 -6.827 -6.335 1.00 13.15 O ATOM 490 OE2 GLU A 593 -4.195 -7.122 -5.082 1.00 4.10 O ATOM 0 H GLU A 593 1.020 -5.692 -2.818 1.00 34.54 H new ATOM 0 HA GLU A 593 -0.701 -7.938 -2.347 1.00 10.42 H new ATOM 0 HB2 GLU A 593 -0.178 -5.921 -4.431 1.00 5.33 H new ATOM 0 HB3 GLU A 593 -0.539 -7.501 -5.098 1.00 5.33 H new ATOM 0 HG2 GLU A 593 -2.490 -7.288 -3.179 1.00 71.13 H new ATOM 0 HG3 GLU A 593 -2.293 -5.610 -3.642 1.00 71.13 H new ATOM 495 N HIS A 594 2.143 -8.362 -3.932 1.00 53.42 N ATOM 496 CA HIS A 594 3.076 -9.367 -4.427 1.00 20.13 C ATOM 497 C HIS A 594 3.844 -10.009 -3.275 1.00 11.34 C ATOM 498 O HIS A 594 3.945 -11.234 -3.188 1.00 51.21 O ATOM 499 CB HIS A 594 4.053 -8.740 -5.421 1.00 24.44 C ATOM 500 CG HIS A 594 4.681 -9.733 -6.351 1.00 53.41 C ATOM 501 ND1 HIS A 594 6.035 -9.772 -6.609 1.00 53.15 N ATOM 502 CD2 HIS A 594 4.131 -10.729 -7.085 1.00 41.13 C ATOM 503 CE1 HIS A 594 6.290 -10.747 -7.463 1.00 60.42 C ATOM 504 NE2 HIS A 594 5.152 -11.344 -7.766 1.00 11.33 N ATOM 0 H HIS A 594 2.511 -7.411 -3.929 1.00 53.42 H new ATOM 0 HA HIS A 594 2.502 -10.143 -4.934 1.00 20.13 H new ATOM 0 HB2 HIS A 594 3.528 -7.986 -6.008 1.00 24.44 H new ATOM 0 HB3 HIS A 594 4.839 -8.224 -4.869 1.00 24.44 H new ATOM 0 HD2 HIS A 594 3.084 -10.991 -7.127 1.00 41.13 H new ATOM 0 HE1 HIS A 594 7.264 -11.011 -7.848 1.00 60.42 H new ATOM 0 HE2 HIS A 594 5.048 -12.134 -8.403 1.00 11.33 H new ATOM 511 N LEU A 595 4.385 -9.175 -2.394 1.00 22.34 N ATOM 512 CA LEU A 595 5.146 -9.661 -1.248 1.00 62.14 C ATOM 513 C LEU A 595 4.213 -10.120 -0.131 1.00 23.34 C ATOM 514 O LEU A 595 4.588 -10.940 0.706 1.00 2.33 O ATOM 515 CB LEU A 595 6.080 -8.566 -0.729 1.00 1.45 C ATOM 516 CG LEU A 595 7.335 -8.304 -1.564 1.00 22.04 C ATOM 517 CD1 LEU A 595 8.089 -9.601 -1.815 1.00 12.22 C ATOM 518 CD2 LEU A 595 6.971 -7.634 -2.881 1.00 44.24 C ATOM 0 H LEU A 595 4.311 -8.159 -2.451 1.00 22.34 H new ATOM 0 HA LEU A 595 5.742 -10.514 -1.574 1.00 62.14 H new ATOM 0 HB2 LEU A 595 5.514 -7.637 -0.658 1.00 1.45 H new ATOM 0 HB3 LEU A 595 6.389 -8.829 0.283 1.00 1.45 H new ATOM 0 HG LEU A 595 7.985 -7.631 -1.005 1.00 22.04 H new ATOM 0 HD11 LEU A 595 8.979 -9.395 -2.410 1.00 12.22 H new ATOM 0 HD12 LEU A 595 8.384 -10.041 -0.862 1.00 12.22 H new ATOM 0 HD13 LEU A 595 7.446 -10.298 -2.353 1.00 12.22 H new ATOM 0 HD21 LEU A 595 7.876 -7.456 -3.461 1.00 44.24 H new ATOM 0 HD22 LEU A 595 6.300 -8.282 -3.445 1.00 44.24 H new ATOM 0 HD23 LEU A 595 6.475 -6.684 -2.681 1.00 44.24 H new ATOM 529 N GLY A 596 2.997 -9.586 -0.126 1.00 52.43 N ATOM 530 CA GLY A 596 2.029 -9.955 0.890 1.00 75.14 C ATOM 531 C GLY A 596 2.132 -9.089 2.131 1.00 32.02 C ATOM 532 O GLY A 596 2.784 -8.044 2.115 1.00 53.11 O ATOM 0 H GLY A 596 2.664 -8.904 -0.807 1.00 52.43 H new ATOM 0 HA2 GLY A 596 1.024 -9.874 0.476 1.00 75.14 H new ATOM 0 HA3 GLY A 596 2.177 -10.999 1.166 1.00 75.14 H new ATOM 536 N THR A 597 1.487 -9.523 3.209 1.00 72.23 N ATOM 537 CA THR A 597 1.507 -8.779 4.462 1.00 21.34 C ATOM 538 C THR A 597 2.477 -9.406 5.457 1.00 73.43 C ATOM 539 O THR A 597 2.363 -9.198 6.664 1.00 75.53 O ATOM 540 CB THR A 597 0.107 -8.713 5.099 1.00 60.12 C ATOM 541 OG1 THR A 597 -0.330 -10.029 5.460 1.00 73.31 O ATOM 542 CG2 THR A 597 -0.895 -8.087 4.140 1.00 22.52 C ATOM 0 H THR A 597 0.944 -10.386 3.239 1.00 72.23 H new ATOM 0 HA THR A 597 1.837 -7.768 4.224 1.00 21.34 H new ATOM 0 HB THR A 597 0.168 -8.092 5.993 1.00 60.12 H new ATOM 0 HG1 THR A 597 -1.220 -9.978 5.866 1.00 73.31 H new ATOM 0 HG21 THR A 597 -1.877 -8.051 4.612 1.00 22.52 H new ATOM 0 HG22 THR A 597 -0.576 -7.075 3.889 1.00 22.52 H new ATOM 0 HG23 THR A 597 -0.951 -8.686 3.231 1.00 22.52 H new ATOM 550 N GLY A 598 3.433 -10.173 4.943 1.00 1.04 N ATOM 551 CA GLY A 598 4.409 -10.817 5.801 1.00 24.04 C ATOM 552 C GLY A 598 5.835 -10.504 5.395 1.00 34.14 C ATOM 553 O GLY A 598 6.779 -10.834 6.113 1.00 22.24 O ATOM 0 H GLY A 598 3.549 -10.360 3.947 1.00 1.04 H new ATOM 0 HA2 GLY A 598 4.249 -10.498 6.831 1.00 24.04 H new ATOM 0 HA3 GLY A 598 4.256 -11.896 5.774 1.00 24.04 H new ATOM 557 N ARG A 599 5.993 -9.864 4.240 1.00 43.11 N ATOM 558 CA ARG A 599 7.315 -9.509 3.739 1.00 15.13 C ATOM 559 C ARG A 599 7.472 -7.993 3.649 1.00 21.43 C ATOM 560 O ARG A 599 7.401 -7.415 2.565 1.00 32.53 O ATOM 561 CB ARG A 599 7.548 -10.138 2.364 1.00 2.35 C ATOM 562 CG ARG A 599 8.005 -11.586 2.426 1.00 62.44 C ATOM 563 CD ARG A 599 8.051 -12.217 1.044 1.00 54.43 C ATOM 564 NE ARG A 599 8.384 -13.637 1.100 1.00 60.23 N ATOM 565 CZ ARG A 599 7.564 -14.566 1.580 1.00 53.12 C ATOM 566 NH1 ARG A 599 6.369 -14.225 2.042 1.00 61.22 N ATOM 567 NH2 ARG A 599 7.939 -15.838 1.598 1.00 40.41 N ATOM 0 H ARG A 599 5.222 -9.581 3.635 1.00 43.11 H new ATOM 0 HA ARG A 599 8.057 -9.894 4.438 1.00 15.13 H new ATOM 0 HB2 ARG A 599 6.625 -10.082 1.787 1.00 2.35 H new ATOM 0 HB3 ARG A 599 8.295 -9.553 1.828 1.00 2.35 H new ATOM 0 HG2 ARG A 599 8.993 -11.637 2.883 1.00 62.44 H new ATOM 0 HG3 ARG A 599 7.329 -12.155 3.064 1.00 62.44 H new ATOM 0 HD2 ARG A 599 7.085 -12.091 0.556 1.00 54.43 H new ATOM 0 HD3 ARG A 599 8.788 -11.696 0.432 1.00 54.43 H new ATOM 0 HE ARG A 599 9.296 -13.932 0.752 1.00 60.23 H new ATOM 0 HH11 ARG A 599 6.077 -13.248 2.029 1.00 61.22 H new ATOM 0 HH12 ARG A 599 5.741 -14.940 2.410 1.00 61.22 H new ATOM 0 HH21 ARG A 599 8.858 -16.104 1.243 1.00 40.41 H new ATOM 0 HH22 ARG A 599 7.309 -16.550 1.967 1.00 40.41 H new ATOM 578 N TRP A 600 7.686 -7.357 4.796 1.00 5.03 N ATOM 579 CA TRP A 600 7.853 -5.910 4.847 1.00 70.03 C ATOM 580 C TRP A 600 9.163 -5.490 4.190 1.00 74.04 C ATOM 581 O TRP A 600 9.184 -4.595 3.344 1.00 63.54 O ATOM 582 CB TRP A 600 7.816 -5.423 6.297 1.00 62.01 C ATOM 583 CG TRP A 600 6.639 -5.939 7.067 1.00 43.24 C ATOM 584 CD1 TRP A 600 5.350 -6.039 6.625 1.00 14.05 C ATOM 585 CD2 TRP A 600 6.641 -6.422 8.414 1.00 4.31 C ATOM 586 NE1 TRP A 600 4.552 -6.556 7.617 1.00 74.10 N ATOM 587 CE2 TRP A 600 5.320 -6.801 8.724 1.00 0.45 C ATOM 588 CE3 TRP A 600 7.631 -6.575 9.389 1.00 44.20 C ATOM 589 CZ2 TRP A 600 4.967 -7.320 9.966 1.00 45.53 C ATOM 590 CZ3 TRP A 600 7.278 -7.091 10.621 1.00 23.12 C ATOM 591 CH2 TRP A 600 5.956 -7.459 10.901 1.00 42.23 C ATOM 0 H TRP A 600 7.748 -7.821 5.702 1.00 5.03 H new ATOM 0 HA TRP A 600 7.030 -5.454 4.297 1.00 70.03 H new ATOM 0 HB2 TRP A 600 8.733 -5.731 6.800 1.00 62.01 H new ATOM 0 HB3 TRP A 600 7.798 -4.333 6.306 1.00 62.01 H new ATOM 0 HD1 TRP A 600 5.009 -5.754 5.641 1.00 14.05 H new ATOM 0 HE1 TRP A 600 3.550 -6.729 7.541 1.00 74.10 H new ATOM 0 HE3 TRP A 600 8.653 -6.295 9.183 1.00 44.20 H new ATOM 0 HZ2 TRP A 600 3.948 -7.603 10.184 1.00 45.53 H new ATOM 0 HZ3 TRP A 600 8.035 -7.213 11.382 1.00 23.12 H new ATOM 0 HH2 TRP A 600 5.713 -7.860 11.874 1.00 42.23 H new ATOM 601 N ARG A 601 10.253 -6.140 4.583 1.00 62.02 N ATOM 602 CA ARG A 601 11.567 -5.832 4.032 1.00 60.41 C ATOM 603 C ARG A 601 11.552 -5.919 2.508 1.00 43.23 C ATOM 604 O ARG A 601 12.060 -5.033 1.822 1.00 31.05 O ATOM 605 CB ARG A 601 12.618 -6.789 4.598 1.00 31.03 C ATOM 606 CG ARG A 601 12.593 -6.894 6.114 1.00 32.33 C ATOM 607 CD ARG A 601 13.847 -7.571 6.645 1.00 41.23 C ATOM 608 NE ARG A 601 13.878 -8.995 6.322 1.00 24.14 N ATOM 609 CZ ARG A 601 13.204 -9.918 7.000 1.00 62.20 C ATOM 610 NH1 ARG A 601 12.450 -9.568 8.032 1.00 43.23 N ATOM 611 NH2 ARG A 601 13.284 -11.194 6.645 1.00 51.52 N ATOM 0 H ARG A 601 10.252 -6.884 5.281 1.00 62.02 H new ATOM 0 HA ARG A 601 11.823 -4.812 4.318 1.00 60.41 H new ATOM 0 HB2 ARG A 601 12.462 -7.780 4.171 1.00 31.03 H new ATOM 0 HB3 ARG A 601 13.607 -6.457 4.282 1.00 31.03 H new ATOM 0 HG2 ARG A 601 12.504 -5.898 6.548 1.00 32.33 H new ATOM 0 HG3 ARG A 601 11.714 -7.457 6.427 1.00 32.33 H new ATOM 0 HD2 ARG A 601 14.727 -7.085 6.225 1.00 41.23 H new ATOM 0 HD3 ARG A 601 13.898 -7.443 7.726 1.00 41.23 H new ATOM 0 HE ARG A 601 14.448 -9.298 5.532 1.00 24.14 H new ATOM 0 HH11 ARG A 601 12.386 -8.588 8.308 1.00 43.23 H new ATOM 0 HH12 ARG A 601 11.934 -10.279 8.551 1.00 43.23 H new ATOM 0 HH21 ARG A 601 13.863 -11.467 5.851 1.00 51.52 H new ATOM 0 HH22 ARG A 601 12.766 -11.902 7.166 1.00 51.52 H new ATOM 622 N ASP A 602 10.965 -6.992 1.989 1.00 14.21 N ATOM 623 CA ASP A 602 10.883 -7.194 0.546 1.00 63.01 C ATOM 624 C ASP A 602 10.050 -6.098 -0.110 1.00 31.21 C ATOM 625 O ASP A 602 10.283 -5.733 -1.262 1.00 51.15 O ATOM 626 CB ASP A 602 10.279 -8.565 0.236 1.00 73.50 C ATOM 627 CG ASP A 602 10.865 -9.664 1.102 1.00 1.31 C ATOM 628 OD1 ASP A 602 10.551 -9.697 2.310 1.00 23.51 O ATOM 629 OD2 ASP A 602 11.636 -10.490 0.571 1.00 23.14 O ATOM 0 H ASP A 602 10.540 -7.734 2.544 1.00 14.21 H new ATOM 0 HA ASP A 602 11.893 -7.149 0.140 1.00 63.01 H new ATOM 0 HB2 ASP A 602 9.200 -8.526 0.384 1.00 73.50 H new ATOM 0 HB3 ASP A 602 10.448 -8.804 -0.814 1.00 73.50 H new ATOM 633 N VAL A 603 9.077 -5.578 0.632 1.00 53.05 N ATOM 634 CA VAL A 603 8.208 -4.522 0.122 1.00 3.12 C ATOM 635 C VAL A 603 8.960 -3.202 0.003 1.00 55.03 C ATOM 636 O VAL A 603 8.711 -2.412 -0.909 1.00 2.54 O ATOM 637 CB VAL A 603 6.979 -4.321 1.029 1.00 35.12 C ATOM 638 CG1 VAL A 603 6.275 -3.016 0.690 1.00 71.21 C ATOM 639 CG2 VAL A 603 6.026 -5.500 0.902 1.00 73.32 C ATOM 0 H VAL A 603 8.870 -5.870 1.587 1.00 53.05 H new ATOM 0 HA VAL A 603 7.873 -4.836 -0.867 1.00 3.12 H new ATOM 0 HB VAL A 603 7.316 -4.266 2.064 1.00 35.12 H new ATOM 0 HG11 VAL A 603 5.409 -2.890 1.340 1.00 71.21 H new ATOM 0 HG12 VAL A 603 6.963 -2.183 0.836 1.00 71.21 H new ATOM 0 HG13 VAL A 603 5.948 -3.038 -0.350 1.00 71.21 H new ATOM 0 HG21 VAL A 603 5.163 -5.342 1.549 1.00 73.32 H new ATOM 0 HG22 VAL A 603 5.693 -5.589 -0.132 1.00 73.32 H new ATOM 0 HG23 VAL A 603 6.538 -6.416 1.198 1.00 73.32 H new ATOM 649 N LYS A 604 9.883 -2.966 0.929 1.00 71.31 N ATOM 650 CA LYS A 604 10.674 -1.742 0.928 1.00 33.42 C ATOM 651 C LYS A 604 11.675 -1.741 -0.222 1.00 2.15 C ATOM 652 O LYS A 604 11.838 -0.738 -0.915 1.00 34.30 O ATOM 653 CB LYS A 604 11.412 -1.586 2.260 1.00 54.34 C ATOM 654 CG LYS A 604 11.976 -0.193 2.483 1.00 52.13 C ATOM 655 CD LYS A 604 10.914 0.761 3.004 1.00 73.20 C ATOM 656 CE LYS A 604 11.435 2.189 3.075 1.00 22.20 C ATOM 657 NZ LYS A 604 10.555 3.059 3.904 1.00 15.31 N ATOM 0 H LYS A 604 10.102 -3.608 1.691 1.00 71.31 H new ATOM 0 HA LYS A 604 9.994 -0.901 0.795 1.00 33.42 H new ATOM 0 HB2 LYS A 604 10.729 -1.827 3.075 1.00 54.34 H new ATOM 0 HB3 LYS A 604 12.226 -2.310 2.302 1.00 54.34 H new ATOM 0 HG2 LYS A 604 12.802 -0.243 3.193 1.00 52.13 H new ATOM 0 HG3 LYS A 604 12.383 0.190 1.547 1.00 52.13 H new ATOM 0 HD2 LYS A 604 10.039 0.723 2.355 1.00 73.20 H new ATOM 0 HD3 LYS A 604 10.590 0.441 3.994 1.00 73.20 H new ATOM 0 HE2 LYS A 604 12.442 2.188 3.492 1.00 22.20 H new ATOM 0 HE3 LYS A 604 11.508 2.600 2.068 1.00 22.20 H new ATOM 0 HZ1 LYS A 604 11.119 3.826 4.322 1.00 15.31 H new ATOM 0 HZ2 LYS A 604 9.807 3.465 3.307 1.00 15.31 H new ATOM 0 HZ3 LYS A 604 10.124 2.494 4.663 1.00 15.31 H new ATOM 667 N MET A 605 12.341 -2.874 -0.421 1.00 22.43 N ATOM 668 CA MET A 605 13.324 -3.005 -1.491 1.00 74.40 C ATOM 669 C MET A 605 12.640 -3.083 -2.851 1.00 4.14 C ATOM 670 O MET A 605 13.186 -2.633 -3.859 1.00 24.31 O ATOM 671 CB MET A 605 14.190 -4.246 -1.269 1.00 64.42 C ATOM 672 CG MET A 605 13.431 -5.553 -1.434 1.00 35.52 C ATOM 673 SD MET A 605 14.427 -6.994 -1.007 1.00 33.34 S ATOM 674 CE MET A 605 15.570 -7.036 -2.386 1.00 32.31 C ATOM 0 H MET A 605 12.218 -3.714 0.144 1.00 22.43 H new ATOM 0 HA MET A 605 13.961 -2.120 -1.475 1.00 74.40 H new ATOM 0 HB2 MET A 605 15.023 -4.228 -1.971 1.00 64.42 H new ATOM 0 HB3 MET A 605 14.617 -4.207 -0.267 1.00 64.42 H new ATOM 0 HG2 MET A 605 12.540 -5.533 -0.806 1.00 35.52 H new ATOM 0 HG3 MET A 605 13.092 -5.644 -2.466 1.00 35.52 H new ATOM 0 HE1 MET A 605 16.147 -7.960 -2.352 1.00 32.31 H new ATOM 0 HE2 MET A 605 15.013 -6.990 -3.322 1.00 32.31 H new ATOM 0 HE3 MET A 605 16.247 -6.184 -2.324 1.00 32.31 H new ATOM 682 N ARG A 606 11.442 -3.660 -2.874 1.00 71.13 N ATOM 683 CA ARG A 606 10.685 -3.800 -4.111 1.00 55.22 C ATOM 684 C ARG A 606 10.001 -2.486 -4.482 1.00 40.01 C ATOM 685 O ARG A 606 9.996 -2.085 -5.645 1.00 53.04 O ATOM 686 CB ARG A 606 9.640 -4.909 -3.972 1.00 34.14 C ATOM 687 CG ARG A 606 8.710 -5.023 -5.169 1.00 54.30 C ATOM 688 CD ARG A 606 7.287 -4.625 -4.809 1.00 33.33 C ATOM 689 NE ARG A 606 6.462 -4.410 -5.994 1.00 10.21 N ATOM 690 CZ ARG A 606 6.051 -5.389 -6.791 1.00 3.13 C ATOM 691 NH1 ARG A 606 6.386 -6.646 -6.531 1.00 74.42 N ATOM 692 NH2 ARG A 606 5.302 -5.113 -7.851 1.00 24.13 N ATOM 0 H ARG A 606 10.976 -4.038 -2.049 1.00 71.13 H new ATOM 0 HA ARG A 606 11.382 -4.064 -4.906 1.00 55.22 H new ATOM 0 HB2 ARG A 606 10.150 -5.861 -3.827 1.00 34.14 H new ATOM 0 HB3 ARG A 606 9.046 -4.726 -3.077 1.00 34.14 H new ATOM 0 HG2 ARG A 606 9.074 -4.387 -5.976 1.00 54.30 H new ATOM 0 HG3 ARG A 606 8.719 -6.047 -5.542 1.00 54.30 H new ATOM 0 HD2 ARG A 606 6.838 -5.403 -4.191 1.00 33.33 H new ATOM 0 HD3 ARG A 606 7.306 -3.714 -4.210 1.00 33.33 H new ATOM 0 HE ARG A 606 6.186 -3.455 -6.222 1.00 10.21 H new ATOM 0 HH11 ARG A 606 6.961 -6.863 -5.717 1.00 74.42 H new ATOM 0 HH12 ARG A 606 6.069 -7.396 -7.145 1.00 74.42 H new ATOM 0 HH21 ARG A 606 5.042 -4.148 -8.054 1.00 24.13 H new ATOM 0 HH22 ARG A 606 4.987 -5.866 -8.463 1.00 24.13 H new ATOM 703 N ALA A 607 9.425 -1.823 -3.484 1.00 31.44 N ATOM 704 CA ALA A 607 8.741 -0.556 -3.704 1.00 75.41 C ATOM 705 C ALA A 607 9.739 0.587 -3.864 1.00 40.11 C ATOM 706 O ALA A 607 9.880 1.155 -4.947 1.00 4.13 O ATOM 707 CB ALA A 607 7.784 -0.266 -2.558 1.00 42.32 C ATOM 0 H ALA A 607 9.419 -2.143 -2.516 1.00 31.44 H new ATOM 0 HA ALA A 607 8.169 -0.637 -4.629 1.00 75.41 H new ATOM 0 HB1 ALA A 607 7.280 0.684 -2.736 1.00 42.32 H new ATOM 0 HB2 ALA A 607 7.043 -1.063 -2.492 1.00 42.32 H new ATOM 0 HB3 ALA A 607 8.342 -0.211 -1.623 1.00 42.32 H new ATOM 713 N PHE A 608 10.428 0.920 -2.778 1.00 53.34 N ATOM 714 CA PHE A 608 11.411 1.997 -2.797 1.00 31.01 C ATOM 715 C PHE A 608 12.648 1.590 -3.593 1.00 71.33 C ATOM 716 O PHE A 608 13.278 0.572 -3.303 1.00 70.24 O ATOM 717 CB PHE A 608 11.811 2.376 -1.370 1.00 53.04 C ATOM 718 CG PHE A 608 10.662 2.862 -0.533 1.00 40.41 C ATOM 719 CD1 PHE A 608 9.788 1.963 0.056 1.00 4.34 C ATOM 720 CD2 PHE A 608 10.454 4.218 -0.338 1.00 44.51 C ATOM 721 CE1 PHE A 608 8.729 2.406 0.826 1.00 5.13 C ATOM 722 CE2 PHE A 608 9.396 4.666 0.431 1.00 35.43 C ATOM 723 CZ PHE A 608 8.533 3.759 1.013 1.00 53.00 C ATOM 0 H PHE A 608 10.324 0.460 -1.874 1.00 53.34 H new ATOM 0 HA PHE A 608 10.957 2.861 -3.281 1.00 31.01 H new ATOM 0 HB2 PHE A 608 12.262 1.510 -0.886 1.00 53.04 H new ATOM 0 HB3 PHE A 608 12.575 3.153 -1.410 1.00 53.04 H new ATOM 0 HD1 PHE A 608 9.936 0.903 -0.088 1.00 4.34 H new ATOM 0 HD2 PHE A 608 11.125 4.932 -0.791 1.00 44.51 H new ATOM 0 HE1 PHE A 608 8.056 1.694 1.281 1.00 5.13 H new ATOM 0 HE2 PHE A 608 9.245 5.725 0.576 1.00 35.43 H new ATOM 0 HZ PHE A 608 7.706 4.108 1.614 1.00 53.00 H new ATOM 828 N TYR A 616 10.174 -1.466 7.674 1.00 14.45 N ATOM 829 CA TYR A 616 9.085 -2.435 7.709 1.00 4.44 C ATOM 830 C TYR A 616 7.875 -1.869 8.443 1.00 54.25 C ATOM 831 O TYR A 616 6.732 -2.075 8.033 1.00 24.12 O ATOM 832 CB TYR A 616 9.547 -3.727 8.385 1.00 10.22 C ATOM 833 CG TYR A 616 10.192 -3.508 9.734 1.00 61.10 C ATOM 834 CD1 TYR A 616 11.535 -3.162 9.836 1.00 41.45 C ATOM 835 CD2 TYR A 616 9.461 -3.648 10.907 1.00 35.22 C ATOM 836 CE1 TYR A 616 12.129 -2.960 11.067 1.00 12.34 C ATOM 837 CE2 TYR A 616 10.047 -3.447 12.142 1.00 40.31 C ATOM 838 CZ TYR A 616 11.381 -3.104 12.216 1.00 74.55 C ATOM 839 OH TYR A 616 11.969 -2.904 13.445 1.00 5.41 O ATOM 0 HA TYR A 616 8.794 -2.653 6.682 1.00 4.44 H new ATOM 0 HB2 TYR A 616 8.691 -4.391 8.505 1.00 10.22 H new ATOM 0 HB3 TYR A 616 10.256 -4.236 7.731 1.00 10.22 H new ATOM 0 HD1 TYR A 616 12.124 -3.049 8.938 1.00 41.45 H new ATOM 0 HD2 TYR A 616 8.417 -3.919 10.853 1.00 35.22 H new ATOM 0 HE1 TYR A 616 13.173 -2.691 11.129 1.00 12.34 H new ATOM 0 HE2 TYR A 616 9.464 -3.558 13.044 1.00 40.31 H new ATOM 0 HH TYR A 616 11.305 -3.043 14.152 1.00 5.41 H new ATOM 848 N VAL A 617 8.133 -1.152 9.532 1.00 44.04 N ATOM 849 CA VAL A 617 7.066 -0.553 10.325 1.00 12.11 C ATOM 850 C VAL A 617 6.434 0.627 9.594 1.00 42.03 C ATOM 851 O VAL A 617 5.241 0.891 9.736 1.00 41.22 O ATOM 852 CB VAL A 617 7.584 -0.076 11.694 1.00 73.21 C ATOM 853 CG1 VAL A 617 8.668 0.976 11.519 1.00 53.31 C ATOM 854 CG2 VAL A 617 6.439 0.463 12.539 1.00 52.22 C ATOM 0 H VAL A 617 9.073 -0.972 9.886 1.00 44.04 H new ATOM 0 HA VAL A 617 6.314 -1.327 10.479 1.00 12.11 H new ATOM 0 HB VAL A 617 8.020 -0.929 12.214 1.00 73.21 H new ATOM 0 HG11 VAL A 617 9.021 1.301 12.498 1.00 53.31 H new ATOM 0 HG12 VAL A 617 9.499 0.552 10.955 1.00 53.31 H new ATOM 0 HG13 VAL A 617 8.262 1.831 10.978 1.00 53.31 H new ATOM 0 HG21 VAL A 617 6.824 0.796 13.503 1.00 52.22 H new ATOM 0 HG22 VAL A 617 5.972 1.303 12.025 1.00 52.22 H new ATOM 0 HG23 VAL A 617 5.700 -0.323 12.695 1.00 52.22 H new ATOM 864 N ASP A 618 7.243 1.332 8.810 1.00 42.02 N ATOM 865 CA ASP A 618 6.763 2.483 8.054 1.00 71.22 C ATOM 866 C ASP A 618 5.828 2.045 6.932 1.00 3.21 C ATOM 867 O ASP A 618 4.717 2.559 6.799 1.00 3.42 O ATOM 868 CB ASP A 618 7.942 3.267 7.477 1.00 11.11 C ATOM 869 CG ASP A 618 8.009 4.686 8.007 1.00 22.45 C ATOM 870 OD1 ASP A 618 7.672 4.893 9.192 1.00 13.42 O ATOM 871 OD2 ASP A 618 8.399 5.589 7.237 1.00 24.43 O ATOM 0 H ASP A 618 8.234 1.126 8.682 1.00 42.02 H new ATOM 0 HA ASP A 618 6.206 3.128 8.734 1.00 71.22 H new ATOM 0 HB2 ASP A 618 8.871 2.749 7.716 1.00 11.11 H new ATOM 0 HB3 ASP A 618 7.861 3.292 6.390 1.00 11.11 H new ATOM 875 N LEU A 619 6.286 1.093 6.126 1.00 51.40 N ATOM 876 CA LEU A 619 5.490 0.585 5.013 1.00 0.14 C ATOM 877 C LEU A 619 4.243 -0.132 5.518 1.00 42.34 C ATOM 878 O LEU A 619 3.126 0.168 5.094 1.00 43.03 O ATOM 879 CB LEU A 619 6.326 -0.366 4.154 1.00 74.40 C ATOM 880 CG LEU A 619 7.086 -1.458 4.908 1.00 72.12 C ATOM 881 CD1 LEU A 619 6.355 -2.787 4.800 1.00 73.24 C ATOM 882 CD2 LEU A 619 8.507 -1.583 4.376 1.00 45.25 C ATOM 0 H LEU A 619 7.203 0.658 6.222 1.00 51.40 H new ATOM 0 HA LEU A 619 5.177 1.434 4.405 1.00 0.14 H new ATOM 0 HB2 LEU A 619 5.667 -0.844 3.430 1.00 74.40 H new ATOM 0 HB3 LEU A 619 7.046 0.225 3.588 1.00 74.40 H new ATOM 0 HG LEU A 619 7.137 -1.179 5.960 1.00 72.12 H new ATOM 0 HD11 LEU A 619 6.910 -3.553 5.342 1.00 73.24 H new ATOM 0 HD12 LEU A 619 5.358 -2.690 5.229 1.00 73.24 H new ATOM 0 HD13 LEU A 619 6.273 -3.073 3.751 1.00 73.24 H new ATOM 0 HD21 LEU A 619 9.033 -2.365 4.924 1.00 45.25 H new ATOM 0 HD22 LEU A 619 8.478 -1.839 3.317 1.00 45.25 H new ATOM 0 HD23 LEU A 619 9.029 -0.635 4.506 1.00 45.25 H new ATOM 893 N LYS A 620 4.439 -1.081 6.428 1.00 1.13 N ATOM 894 CA LYS A 620 3.331 -1.840 6.994 1.00 14.51 C ATOM 895 C LYS A 620 2.297 -0.909 7.619 1.00 73.11 C ATOM 896 O LYS A 620 1.100 -1.194 7.601 1.00 44.41 O ATOM 897 CB LYS A 620 3.846 -2.827 8.044 1.00 51.14 C ATOM 898 CG LYS A 620 4.042 -2.207 9.417 1.00 41.34 C ATOM 899 CD LYS A 620 4.595 -3.215 10.410 1.00 61.21 C ATOM 900 CE LYS A 620 4.264 -2.825 11.842 1.00 61.21 C ATOM 901 NZ LYS A 620 4.216 -4.010 12.743 1.00 51.20 N ATOM 0 H LYS A 620 5.356 -1.342 6.789 1.00 1.13 H new ATOM 0 HA LYS A 620 2.853 -2.395 6.187 1.00 14.51 H new ATOM 0 HB2 LYS A 620 3.144 -3.657 8.126 1.00 51.14 H new ATOM 0 HB3 LYS A 620 4.794 -3.244 7.704 1.00 51.14 H new ATOM 0 HG2 LYS A 620 4.723 -1.359 9.341 1.00 41.34 H new ATOM 0 HG3 LYS A 620 3.091 -1.820 9.782 1.00 41.34 H new ATOM 0 HD2 LYS A 620 4.184 -4.201 10.196 1.00 61.21 H new ATOM 0 HD3 LYS A 620 5.676 -3.288 10.292 1.00 61.21 H new ATOM 0 HE2 LYS A 620 5.011 -2.120 12.208 1.00 61.21 H new ATOM 0 HE3 LYS A 620 3.303 -2.312 11.866 1.00 61.21 H new ATOM 0 HZ1 LYS A 620 3.988 -3.702 13.710 1.00 51.20 H new ATOM 0 HZ2 LYS A 620 3.486 -4.671 12.409 1.00 51.20 H new ATOM 0 HZ3 LYS A 620 5.141 -4.486 12.741 1.00 51.20 H new ATOM 911 N ASP A 621 2.768 0.205 8.170 1.00 41.43 N ATOM 912 CA ASP A 621 1.883 1.179 8.799 1.00 1.12 C ATOM 913 C ASP A 621 0.949 1.809 7.770 1.00 32.33 C ATOM 914 O ASP A 621 -0.249 1.953 8.009 1.00 50.01 O ATOM 915 CB ASP A 621 2.702 2.266 9.497 1.00 11.41 C ATOM 916 CG ASP A 621 1.843 3.423 9.970 1.00 32.10 C ATOM 917 OD1 ASP A 621 0.644 3.201 10.239 1.00 11.02 O ATOM 918 OD2 ASP A 621 2.372 4.550 10.072 1.00 44.13 O ATOM 0 H ASP A 621 3.756 0.456 8.194 1.00 41.43 H new ATOM 0 HA ASP A 621 1.277 0.658 9.541 1.00 1.12 H new ATOM 0 HB2 ASP A 621 3.224 1.832 10.350 1.00 11.41 H new ATOM 0 HB3 ASP A 621 3.464 2.639 8.813 1.00 11.41 H new ATOM 922 N LYS A 622 1.508 2.185 6.625 1.00 11.15 N ATOM 923 CA LYS A 622 0.727 2.800 5.557 1.00 24.41 C ATOM 924 C LYS A 622 -0.251 1.798 4.953 1.00 74.03 C ATOM 925 O LYS A 622 -1.309 2.177 4.448 1.00 11.02 O ATOM 926 CB LYS A 622 1.654 3.345 4.468 1.00 40.34 C ATOM 927 CG LYS A 622 2.110 4.773 4.716 1.00 62.24 C ATOM 928 CD LYS A 622 3.262 4.825 5.705 1.00 75.15 C ATOM 929 CE LYS A 622 3.533 6.249 6.170 1.00 64.11 C ATOM 930 NZ LYS A 622 4.058 6.288 7.563 1.00 22.32 N ATOM 0 H LYS A 622 2.499 2.075 6.412 1.00 11.15 H new ATOM 0 HA LYS A 622 0.157 3.624 5.986 1.00 24.41 H new ATOM 0 HB2 LYS A 622 2.530 2.701 4.392 1.00 40.34 H new ATOM 0 HB3 LYS A 622 1.140 3.298 3.508 1.00 40.34 H new ATOM 0 HG2 LYS A 622 2.417 5.227 3.774 1.00 62.24 H new ATOM 0 HG3 LYS A 622 1.275 5.362 5.096 1.00 62.24 H new ATOM 0 HD2 LYS A 622 3.033 4.197 6.566 1.00 75.15 H new ATOM 0 HD3 LYS A 622 4.160 4.415 5.242 1.00 75.15 H new ATOM 0 HE2 LYS A 622 4.251 6.720 5.498 1.00 64.11 H new ATOM 0 HE3 LYS A 622 2.613 6.831 6.112 1.00 64.11 H new ATOM 0 HZ1 LYS A 622 4.230 7.275 7.842 1.00 22.32 H new ATOM 0 HZ2 LYS A 622 3.362 5.862 8.208 1.00 22.32 H new ATOM 0 HZ3 LYS A 622 4.949 5.754 7.613 1.00 22.32 H new ATOM 940 N TRP A 623 0.107 0.520 5.008 1.00 73.43 N ATOM 941 CA TRP A 623 -0.740 -0.535 4.466 1.00 64.25 C ATOM 942 C TRP A 623 -1.954 -0.771 5.360 1.00 13.33 C ATOM 943 O TRP A 623 -3.095 -0.737 4.897 1.00 13.25 O ATOM 944 CB TRP A 623 0.057 -1.831 4.316 1.00 62.33 C ATOM 945 CG TRP A 623 -0.743 -3.061 4.625 1.00 61.44 C ATOM 946 CD1 TRP A 623 -1.839 -3.517 3.949 1.00 52.00 C ATOM 947 CD2 TRP A 623 -0.512 -3.988 5.691 1.00 1.00 C ATOM 948 NE1 TRP A 623 -2.302 -4.672 4.530 1.00 25.12 N ATOM 949 CE2 TRP A 623 -1.505 -4.984 5.600 1.00 62.35 C ATOM 950 CE3 TRP A 623 0.439 -4.077 6.712 1.00 53.54 C ATOM 951 CZ2 TRP A 623 -1.573 -6.050 6.492 1.00 45.34 C ATOM 952 CZ3 TRP A 623 0.369 -5.136 7.597 1.00 33.14 C ATOM 953 CH2 TRP A 623 -0.630 -6.112 7.482 1.00 52.24 C ATOM 0 H TRP A 623 0.978 0.190 5.423 1.00 73.43 H new ATOM 0 HA TRP A 623 -1.091 -0.217 3.484 1.00 64.25 H new ATOM 0 HB2 TRP A 623 0.436 -1.900 3.296 1.00 62.33 H new ATOM 0 HB3 TRP A 623 0.923 -1.795 4.976 1.00 62.33 H new ATOM 0 HD1 TRP A 623 -2.277 -3.040 3.085 1.00 52.00 H new ATOM 0 HE1 TRP A 623 -3.109 -5.211 4.216 1.00 25.12 H new ATOM 0 HE3 TRP A 623 1.214 -3.331 6.807 1.00 53.54 H new ATOM 0 HZ2 TRP A 623 -2.343 -6.802 6.406 1.00 45.34 H new ATOM 0 HZ3 TRP A 623 1.097 -5.213 8.391 1.00 33.14 H new ATOM 0 HH2 TRP A 623 -0.656 -6.929 8.188 1.00 52.24 H new ATOM 963 N LYS A 624 -1.702 -1.009 6.642 1.00 32.03 N ATOM 964 CA LYS A 624 -2.774 -1.248 7.601 1.00 61.31 C ATOM 965 C LYS A 624 -3.825 -0.145 7.529 1.00 33.33 C ATOM 966 O LYS A 624 -5.027 -0.414 7.564 1.00 73.52 O ATOM 967 CB LYS A 624 -2.207 -1.335 9.021 1.00 15.54 C ATOM 968 CG LYS A 624 -3.021 -2.220 9.948 1.00 73.02 C ATOM 969 CD LYS A 624 -4.110 -1.432 10.656 1.00 54.52 C ATOM 970 CE LYS A 624 -3.585 -0.766 11.919 1.00 51.44 C ATOM 971 NZ LYS A 624 -3.494 -1.725 13.054 1.00 23.33 N ATOM 0 H LYS A 624 -0.764 -1.042 7.042 1.00 32.03 H new ATOM 0 HA LYS A 624 -3.249 -2.196 7.347 1.00 61.31 H new ATOM 0 HB2 LYS A 624 -1.187 -1.715 8.973 1.00 15.54 H new ATOM 0 HB3 LYS A 624 -2.154 -0.332 9.444 1.00 15.54 H new ATOM 0 HG2 LYS A 624 -3.471 -3.031 9.376 1.00 73.02 H new ATOM 0 HG3 LYS A 624 -2.363 -2.678 10.687 1.00 73.02 H new ATOM 0 HD2 LYS A 624 -4.508 -0.673 9.982 1.00 54.52 H new ATOM 0 HD3 LYS A 624 -4.935 -2.097 10.910 1.00 54.52 H new ATOM 0 HE2 LYS A 624 -2.601 -0.341 11.723 1.00 51.44 H new ATOM 0 HE3 LYS A 624 -4.241 0.060 12.193 1.00 51.44 H new ATOM 0 HZ1 LYS A 624 -3.132 -1.233 13.896 1.00 23.33 H new ATOM 0 HZ2 LYS A 624 -4.437 -2.112 13.258 1.00 23.33 H new ATOM 0 HZ3 LYS A 624 -2.849 -2.501 12.802 1.00 23.33 H new ATOM 981 N THR A 625 -3.366 1.099 7.427 1.00 65.40 N ATOM 982 CA THR A 625 -4.265 2.242 7.350 1.00 41.34 C ATOM 983 C THR A 625 -4.959 2.305 5.993 1.00 64.13 C ATOM 984 O THR A 625 -6.081 2.801 5.880 1.00 73.43 O ATOM 985 CB THR A 625 -3.516 3.565 7.592 1.00 72.43 C ATOM 986 OG1 THR A 625 -4.444 4.653 7.642 1.00 51.32 O ATOM 987 CG2 THR A 625 -2.492 3.815 6.495 1.00 35.41 C ATOM 0 H THR A 625 -2.375 1.340 7.396 1.00 65.40 H new ATOM 0 HA THR A 625 -5.012 2.109 8.132 1.00 41.34 H new ATOM 0 HB THR A 625 -2.994 3.491 8.546 1.00 72.43 H new ATOM 0 HG1 THR A 625 -3.959 5.490 7.798 1.00 51.32 H new ATOM 0 HG21 THR A 625 -1.975 4.755 6.687 1.00 35.41 H new ATOM 0 HG22 THR A 625 -1.769 3.000 6.480 1.00 35.41 H new ATOM 0 HG23 THR A 625 -2.998 3.869 5.531 1.00 35.41 H new ATOM 995 N LEU A 626 -4.286 1.800 4.966 1.00 72.31 N ATOM 996 CA LEU A 626 -4.837 1.798 3.615 1.00 65.04 C ATOM 997 C LEU A 626 -6.024 0.844 3.513 1.00 75.44 C ATOM 998 O LEU A 626 -7.120 1.241 3.115 1.00 30.43 O ATOM 999 CB LEU A 626 -3.761 1.401 2.604 1.00 11.20 C ATOM 1000 CG LEU A 626 -3.460 2.424 1.508 1.00 51.03 C ATOM 1001 CD1 LEU A 626 -2.201 2.037 0.747 1.00 42.14 C ATOM 1002 CD2 LEU A 626 -4.642 2.551 0.558 1.00 55.35 C ATOM 0 H LEU A 626 -3.357 1.386 5.043 1.00 72.31 H new ATOM 0 HA LEU A 626 -5.184 2.806 3.389 1.00 65.04 H new ATOM 0 HB2 LEU A 626 -2.838 1.198 3.147 1.00 11.20 H new ATOM 0 HB3 LEU A 626 -4.064 0.468 2.129 1.00 11.20 H new ATOM 0 HG LEU A 626 -3.292 3.393 1.978 1.00 51.03 H new ATOM 0 HD11 LEU A 626 -2.003 2.777 -0.029 1.00 42.14 H new ATOM 0 HD12 LEU A 626 -1.357 1.998 1.436 1.00 42.14 H new ATOM 0 HD13 LEU A 626 -2.340 1.058 0.288 1.00 42.14 H new ATOM 0 HD21 LEU A 626 -4.410 3.283 -0.215 1.00 55.35 H new ATOM 0 HD22 LEU A 626 -4.842 1.585 0.095 1.00 55.35 H new ATOM 0 HD23 LEU A 626 -5.522 2.876 1.113 1.00 55.35 H new ATOM 1013 N VAL A 627 -5.799 -0.413 3.878 1.00 24.22 N ATOM 1014 CA VAL A 627 -6.850 -1.423 3.831 1.00 75.42 C ATOM 1015 C VAL A 627 -8.057 -0.998 4.660 1.00 42.20 C ATOM 1016 O VAL A 627 -9.200 -1.124 4.220 1.00 55.15 O ATOM 1017 CB VAL A 627 -6.343 -2.785 4.343 1.00 73.10 C ATOM 1018 CG1 VAL A 627 -5.716 -2.638 5.721 1.00 14.52 C ATOM 1019 CG2 VAL A 627 -7.477 -3.799 4.368 1.00 20.51 C ATOM 0 H VAL A 627 -4.898 -0.757 4.210 1.00 24.22 H new ATOM 0 HA VAL A 627 -7.147 -1.523 2.787 1.00 75.42 H new ATOM 0 HB VAL A 627 -5.576 -3.149 3.659 1.00 73.10 H new ATOM 0 HG11 VAL A 627 -5.364 -3.610 6.066 1.00 14.52 H new ATOM 0 HG12 VAL A 627 -4.876 -1.946 5.666 1.00 14.52 H new ATOM 0 HG13 VAL A 627 -6.459 -2.252 6.419 1.00 14.52 H new ATOM 0 HG21 VAL A 627 -7.102 -4.755 4.732 1.00 20.51 H new ATOM 0 HG22 VAL A 627 -8.268 -3.444 5.029 1.00 20.51 H new ATOM 0 HG23 VAL A 627 -7.875 -3.925 3.361 1.00 20.51 H new ATOM 1029 N HIS A 628 -7.795 -0.495 5.862 1.00 4.31 N ATOM 1030 CA HIS A 628 -8.861 -0.051 6.754 1.00 34.13 C ATOM 1031 C HIS A 628 -9.710 1.030 6.089 1.00 32.33 C ATOM 1032 O HIS A 628 -10.929 1.066 6.254 1.00 32.41 O ATOM 1033 CB HIS A 628 -8.273 0.479 8.061 1.00 64.32 C ATOM 1034 CG HIS A 628 -7.998 -0.593 9.071 1.00 53.05 C ATOM 1035 ND1 HIS A 628 -7.754 -0.327 10.402 1.00 23.32 N ATOM 1036 CD2 HIS A 628 -7.932 -1.938 8.940 1.00 11.43 C ATOM 1037 CE1 HIS A 628 -7.548 -1.463 11.044 1.00 22.54 C ATOM 1038 NE2 HIS A 628 -7.650 -2.456 10.179 1.00 22.02 N ATOM 0 H HIS A 628 -6.854 -0.385 6.241 1.00 4.31 H new ATOM 0 HA HIS A 628 -9.499 -0.907 6.972 1.00 34.13 H new ATOM 0 HB2 HIS A 628 -7.346 1.009 7.844 1.00 64.32 H new ATOM 0 HB3 HIS A 628 -8.962 1.205 8.492 1.00 64.32 H new ATOM 0 HD2 HIS A 628 -8.075 -2.500 8.029 1.00 11.43 H new ATOM 0 HE1 HIS A 628 -7.333 -1.563 12.098 1.00 22.54 H new ATOM 0 HE2 HIS A 628 -7.538 -3.446 10.396 1.00 22.02 H new ATOM 1045 N THR A 629 -9.055 1.910 5.337 1.00 70.24 N ATOM 1046 CA THR A 629 -9.748 2.993 4.649 1.00 65.23 C ATOM 1047 C THR A 629 -10.616 2.458 3.516 1.00 64.24 C ATOM 1048 O THR A 629 -11.633 3.054 3.166 1.00 40.14 O ATOM 1049 CB THR A 629 -8.755 4.022 4.079 1.00 51.24 C ATOM 1050 OG1 THR A 629 -9.173 5.348 4.423 1.00 32.20 O ATOM 1051 CG2 THR A 629 -8.652 3.894 2.567 1.00 4.33 C ATOM 0 H THR A 629 -8.046 1.894 5.189 1.00 70.24 H new ATOM 0 HA THR A 629 -10.382 3.483 5.388 1.00 65.23 H new ATOM 0 HB THR A 629 -7.774 3.826 4.512 1.00 51.24 H new ATOM 0 HG1 THR A 629 -8.535 5.997 4.058 1.00 32.20 H new ATOM 0 HG21 THR A 629 -7.945 4.631 2.187 1.00 4.33 H new ATOM 0 HG22 THR A 629 -8.306 2.893 2.309 1.00 4.33 H new ATOM 0 HG23 THR A 629 -9.631 4.066 2.120 1.00 4.33 H new ATOM 1059 N ALA A 630 -10.206 1.329 2.947 1.00 42.52 N ATOM 1060 CA ALA A 630 -10.949 0.712 1.854 1.00 1.30 C ATOM 1061 C ALA A 630 -12.409 0.496 2.235 1.00 50.23 C ATOM 1062 O ALA A 630 -13.316 0.835 1.475 1.00 75.22 O ATOM 1063 CB ALA A 630 -10.304 -0.608 1.458 1.00 44.31 C ATOM 0 H ALA A 630 -9.365 0.823 3.224 1.00 42.52 H new ATOM 0 HA ALA A 630 -10.921 1.389 1.000 1.00 1.30 H new ATOM 0 HB1 ALA A 630 -10.868 -1.058 0.641 1.00 44.31 H new ATOM 0 HB2 ALA A 630 -9.278 -0.429 1.135 1.00 44.31 H new ATOM 0 HB3 ALA A 630 -10.303 -1.283 2.314 1.00 44.31 H new ATOM 1069 N SER A 631 -12.631 -0.070 3.417 1.00 21.14 N ATOM 1070 CA SER A 631 -13.982 -0.336 3.897 1.00 31.13 C ATOM 1071 C SER A 631 -13.949 -1.122 5.204 1.00 72.21 C ATOM 1072 O SER A 631 -14.346 -2.286 5.252 1.00 12.53 O ATOM 1073 CB SER A 631 -14.777 -1.109 2.844 1.00 61.04 C ATOM 1074 OG SER A 631 -15.581 -0.236 2.069 1.00 35.52 O ATOM 0 H SER A 631 -11.892 -0.353 4.060 1.00 21.14 H new ATOM 0 HA SER A 631 -14.471 0.621 4.081 1.00 31.13 H new ATOM 0 HB2 SER A 631 -14.092 -1.652 2.193 1.00 61.04 H new ATOM 0 HB3 SER A 631 -15.408 -1.852 3.333 1.00 61.04 H new ATOM 0 HG SER A 631 -15.006 0.369 1.556 1.00 35.52 H new ATOM 1079 N ILE A 632 -13.474 -0.476 6.264 1.00 12.14 N ATOM 1080 CA ILE A 632 -13.390 -1.113 7.572 1.00 31.14 C ATOM 1081 C ILE A 632 -13.919 -0.193 8.667 1.00 74.31 C ATOM 1082 O ILE A 632 -15.004 -0.410 9.205 1.00 43.32 O ATOM 1083 CB ILE A 632 -11.943 -1.515 7.910 1.00 65.34 C ATOM 1084 CG1 ILE A 632 -11.531 -2.747 7.102 1.00 63.41 C ATOM 1085 CG2 ILE A 632 -11.802 -1.783 9.402 1.00 51.01 C ATOM 1086 CD1 ILE A 632 -11.244 -2.448 5.647 1.00 73.41 C ATOM 0 H ILE A 632 -13.142 0.488 6.242 1.00 12.14 H new ATOM 0 HA ILE A 632 -14.007 -2.011 7.526 1.00 31.14 H new ATOM 0 HB ILE A 632 -11.281 -0.691 7.644 1.00 65.34 H new ATOM 0 HG12 ILE A 632 -10.644 -3.189 7.556 1.00 63.41 H new ATOM 0 HG13 ILE A 632 -12.324 -3.492 7.162 1.00 63.41 H new ATOM 0 HG21 ILE A 632 -10.773 -2.066 9.625 1.00 51.01 H new ATOM 0 HG22 ILE A 632 -12.060 -0.882 9.959 1.00 51.01 H new ATOM 0 HG23 ILE A 632 -12.472 -2.593 9.691 1.00 51.01 H new ATOM 0 HD11 ILE A 632 -10.958 -3.367 5.136 1.00 73.41 H new ATOM 0 HD12 ILE A 632 -12.137 -2.035 5.178 1.00 73.41 H new ATOM 0 HD13 ILE A 632 -10.430 -1.726 5.578 1.00 73.41 H new ATOM 1097 N ALA A 633 -13.145 0.839 8.990 1.00 40.33 N ATOM 1098 CA ALA A 633 -13.538 1.796 10.018 1.00 32.35 C ATOM 1099 C ALA A 633 -14.045 3.091 9.396 1.00 74.21 C ATOM 1100 O ALA A 633 -13.561 3.543 8.357 1.00 4.44 O ATOM 1101 CB ALA A 633 -12.368 2.077 10.950 1.00 53.31 C ATOM 0 H ALA A 633 -12.243 1.033 8.555 1.00 40.33 H new ATOM 0 HA ALA A 633 -14.352 1.359 10.596 1.00 32.35 H new ATOM 0 HB1 ALA A 633 -12.674 2.793 11.713 1.00 53.31 H new ATOM 0 HB2 ALA A 633 -12.053 1.150 11.428 1.00 53.31 H new ATOM 0 HB3 ALA A 633 -11.538 2.490 10.377 1.00 53.31 H new ATOM 1210 N PRO A 641 -8.788 11.981 -1.772 1.00 73.01 N ATOM 1211 CA PRO A 641 -9.496 10.915 -2.487 1.00 52.33 C ATOM 1212 C PRO A 641 -8.569 9.773 -2.890 1.00 11.11 C ATOM 1213 O PRO A 641 -7.580 9.982 -3.591 1.00 23.34 O ATOM 1214 CB PRO A 641 -10.044 11.623 -3.729 1.00 74.40 C ATOM 1215 CG PRO A 641 -9.126 12.777 -3.942 1.00 54.23 C ATOM 1216 CD PRO A 641 -8.683 13.213 -2.572 1.00 21.11 C ATOM 0 HA PRO A 641 -10.266 10.452 -1.870 1.00 52.33 H new ATOM 0 HB2 PRO A 641 -10.052 10.958 -4.593 1.00 74.40 H new ATOM 0 HB3 PRO A 641 -11.070 11.956 -3.574 1.00 74.40 H new ATOM 0 HG2 PRO A 641 -8.272 12.488 -4.555 1.00 54.23 H new ATOM 0 HG3 PRO A 641 -9.633 13.588 -4.464 1.00 54.23 H new ATOM 0 HD2 PRO A 641 -7.664 13.599 -2.583 1.00 21.11 H new ATOM 0 HD3 PRO A 641 -9.320 14.004 -2.177 1.00 21.11 H new ATOM 1221 N VAL A 642 -8.897 8.565 -2.443 1.00 34.01 N ATOM 1222 CA VAL A 642 -8.095 7.389 -2.759 1.00 74.12 C ATOM 1223 C VAL A 642 -8.730 6.575 -3.880 1.00 55.14 C ATOM 1224 O VAL A 642 -9.948 6.405 -3.943 1.00 11.33 O ATOM 1225 CB VAL A 642 -7.912 6.487 -1.524 1.00 25.31 C ATOM 1226 CG1 VAL A 642 -7.326 7.278 -0.365 1.00 72.22 C ATOM 1227 CG2 VAL A 642 -9.236 5.850 -1.129 1.00 11.32 C ATOM 0 H VAL A 642 -9.713 8.375 -1.861 1.00 34.01 H new ATOM 0 HA VAL A 642 -7.119 7.749 -3.085 1.00 74.12 H new ATOM 0 HB VAL A 642 -7.213 5.691 -1.779 1.00 25.31 H new ATOM 0 HG11 VAL A 642 -7.204 6.623 0.498 1.00 72.22 H new ATOM 0 HG12 VAL A 642 -6.356 7.682 -0.654 1.00 72.22 H new ATOM 0 HG13 VAL A 642 -7.997 8.097 -0.107 1.00 72.22 H new ATOM 0 HG21 VAL A 642 -9.088 5.216 -0.255 1.00 11.32 H new ATOM 0 HG22 VAL A 642 -9.959 6.631 -0.893 1.00 11.32 H new ATOM 0 HG23 VAL A 642 -9.610 5.246 -1.956 1.00 11.32 H new ATOM 1237 N PRO A 643 -7.888 6.060 -4.788 1.00 43.22 N ATOM 1238 CA PRO A 643 -8.344 5.254 -5.924 1.00 62.25 C ATOM 1239 C PRO A 643 -8.870 3.889 -5.492 1.00 41.32 C ATOM 1240 O PRO A 643 -8.244 3.200 -4.689 1.00 24.23 O ATOM 1241 CB PRO A 643 -7.083 5.097 -6.776 1.00 24.02 C ATOM 1242 CG PRO A 643 -5.955 5.245 -5.815 1.00 61.44 C ATOM 1243 CD PRO A 643 -6.424 6.224 -4.774 1.00 51.33 C ATOM 0 HA PRO A 643 -9.174 5.724 -6.451 1.00 62.25 H new ATOM 0 HB2 PRO A 643 -7.057 4.126 -7.270 1.00 24.02 H new ATOM 0 HB3 PRO A 643 -7.038 5.854 -7.559 1.00 24.02 H new ATOM 0 HG2 PRO A 643 -5.699 4.287 -5.363 1.00 61.44 H new ATOM 0 HG3 PRO A 643 -5.059 5.609 -6.318 1.00 61.44 H new ATOM 0 HD2 PRO A 643 -6.004 6.000 -3.793 1.00 51.33 H new ATOM 0 HD3 PRO A 643 -6.131 7.245 -5.021 1.00 51.33 H new ATOM 1248 N GLN A 644 -10.024 3.507 -6.031 1.00 73.10 N ATOM 1249 CA GLN A 644 -10.632 2.224 -5.700 1.00 1.52 C ATOM 1250 C GLN A 644 -9.728 1.069 -6.117 1.00 42.44 C ATOM 1251 O GLN A 644 -9.859 -0.047 -5.615 1.00 43.35 O ATOM 1252 CB GLN A 644 -11.996 2.092 -6.382 1.00 10.15 C ATOM 1253 CG GLN A 644 -12.771 0.856 -5.957 1.00 45.31 C ATOM 1254 CD GLN A 644 -14.267 1.012 -6.146 1.00 52.24 C ATOM 1255 OE1 GLN A 644 -14.871 1.967 -5.656 1.00 22.52 O ATOM 1256 NE2 GLN A 644 -14.875 0.073 -6.860 1.00 5.44 N ATOM 0 H GLN A 644 -10.555 4.067 -6.698 1.00 73.10 H new ATOM 0 HA GLN A 644 -10.768 2.182 -4.619 1.00 1.52 H new ATOM 0 HB2 GLN A 644 -12.591 2.978 -6.160 1.00 10.15 H new ATOM 0 HB3 GLN A 644 -11.852 2.067 -7.462 1.00 10.15 H new ATOM 0 HG2 GLN A 644 -12.423 -0.002 -6.533 1.00 45.31 H new ATOM 0 HG3 GLN A 644 -12.561 0.643 -4.909 1.00 45.31 H new ATOM 0 HE21 GLN A 644 -14.336 -0.701 -7.248 1.00 5.44 H new ATOM 0 HE22 GLN A 644 -15.881 0.126 -7.021 1.00 5.44 H new ATOM 1263 N ASP A 645 -8.811 1.345 -7.037 1.00 63.10 N ATOM 1264 CA ASP A 645 -7.883 0.328 -7.520 1.00 50.04 C ATOM 1265 C ASP A 645 -6.980 -0.164 -6.394 1.00 70.52 C ATOM 1266 O ASP A 645 -6.712 -1.360 -6.275 1.00 11.21 O ATOM 1267 CB ASP A 645 -7.035 0.884 -8.665 1.00 70.03 C ATOM 1268 CG ASP A 645 -6.311 -0.205 -9.431 1.00 10.52 C ATOM 1269 OD1 ASP A 645 -6.967 -1.199 -9.811 1.00 72.43 O ATOM 1270 OD2 ASP A 645 -5.090 -0.065 -9.651 1.00 1.44 O ATOM 0 H ASP A 645 -8.690 2.264 -7.463 1.00 63.10 H new ATOM 0 HA ASP A 645 -8.467 -0.516 -7.887 1.00 50.04 H new ATOM 0 HB2 ASP A 645 -7.675 1.442 -9.349 1.00 70.03 H new ATOM 0 HB3 ASP A 645 -6.306 1.588 -8.264 1.00 70.03 H new ATOM 1274 N LEU A 646 -6.513 0.767 -5.569 1.00 64.32 N ATOM 1275 CA LEU A 646 -5.638 0.429 -4.451 1.00 74.00 C ATOM 1276 C LEU A 646 -6.430 -0.207 -3.313 1.00 61.21 C ATOM 1277 O LEU A 646 -5.986 -1.181 -2.701 1.00 14.43 O ATOM 1278 CB LEU A 646 -4.914 1.679 -3.948 1.00 61.03 C ATOM 1279 CG LEU A 646 -3.983 2.364 -4.948 1.00 33.30 C ATOM 1280 CD1 LEU A 646 -3.296 3.559 -4.306 1.00 73.20 C ATOM 1281 CD2 LEU A 646 -2.954 1.378 -5.480 1.00 23.30 C ATOM 0 H LEU A 646 -6.725 1.761 -5.653 1.00 64.32 H new ATOM 0 HA LEU A 646 -4.901 -0.293 -4.804 1.00 74.00 H new ATOM 0 HB2 LEU A 646 -5.662 2.402 -3.625 1.00 61.03 H new ATOM 0 HB3 LEU A 646 -4.332 1.407 -3.067 1.00 61.03 H new ATOM 0 HG LEU A 646 -4.581 2.722 -5.786 1.00 33.30 H new ATOM 0 HD11 LEU A 646 -2.637 4.034 -5.033 1.00 73.20 H new ATOM 0 HD12 LEU A 646 -4.047 4.276 -3.974 1.00 73.20 H new ATOM 0 HD13 LEU A 646 -2.710 3.225 -3.450 1.00 73.20 H new ATOM 0 HD21 LEU A 646 -2.300 1.883 -6.191 1.00 23.30 H new ATOM 0 HD22 LEU A 646 -2.360 0.990 -4.652 1.00 23.30 H new ATOM 0 HD23 LEU A 646 -3.464 0.554 -5.979 1.00 23.30 H new ATOM 1292 N LEU A 647 -7.605 0.347 -3.035 1.00 24.42 N ATOM 1293 CA LEU A 647 -8.460 -0.167 -1.971 1.00 42.14 C ATOM 1294 C LEU A 647 -8.980 -1.559 -2.316 1.00 45.41 C ATOM 1295 O LEU A 647 -9.170 -2.398 -1.435 1.00 60.21 O ATOM 1296 CB LEU A 647 -9.633 0.783 -1.729 1.00 40.45 C ATOM 1297 CG LEU A 647 -9.270 2.194 -1.268 1.00 54.22 C ATOM 1298 CD1 LEU A 647 -10.524 2.980 -0.914 1.00 61.35 C ATOM 1299 CD2 LEU A 647 -8.320 2.140 -0.081 1.00 33.51 C ATOM 0 H LEU A 647 -7.987 1.152 -3.531 1.00 24.42 H new ATOM 0 HA LEU A 647 -7.864 -0.237 -1.061 1.00 42.14 H new ATOM 0 HB2 LEU A 647 -10.208 0.861 -2.652 1.00 40.45 H new ATOM 0 HB3 LEU A 647 -10.288 0.336 -0.982 1.00 40.45 H new ATOM 0 HG LEU A 647 -8.766 2.704 -2.089 1.00 54.22 H new ATOM 0 HD11 LEU A 647 -10.245 3.982 -0.588 1.00 61.35 H new ATOM 0 HD12 LEU A 647 -11.169 3.050 -1.790 1.00 61.35 H new ATOM 0 HD13 LEU A 647 -11.057 2.472 -0.110 1.00 61.35 H new ATOM 0 HD21 LEU A 647 -8.073 3.154 0.233 1.00 33.51 H new ATOM 0 HD22 LEU A 647 -8.798 1.611 0.744 1.00 33.51 H new ATOM 0 HD23 LEU A 647 -7.408 1.617 -0.368 1.00 33.51 H new ATOM 1310 N ASP A 648 -9.208 -1.798 -3.602 1.00 54.21 N ATOM 1311 CA ASP A 648 -9.704 -3.089 -4.065 1.00 21.33 C ATOM 1312 C ASP A 648 -8.612 -4.152 -3.979 1.00 15.10 C ATOM 1313 O ASP A 648 -8.866 -5.285 -3.571 1.00 43.43 O ATOM 1314 CB ASP A 648 -10.213 -2.979 -5.503 1.00 40.24 C ATOM 1315 CG ASP A 648 -10.707 -4.305 -6.045 1.00 0.45 C ATOM 1316 OD1 ASP A 648 -11.903 -4.612 -5.863 1.00 5.03 O ATOM 1317 OD2 ASP A 648 -9.896 -5.037 -6.652 1.00 31.04 O ATOM 0 H ASP A 648 -9.057 -1.114 -4.344 1.00 54.21 H new ATOM 0 HA ASP A 648 -10.529 -3.387 -3.418 1.00 21.33 H new ATOM 0 HB2 ASP A 648 -11.021 -2.249 -5.544 1.00 40.24 H new ATOM 0 HB3 ASP A 648 -9.413 -2.605 -6.141 1.00 40.24 H new ATOM 1321 N ARG A 649 -7.398 -3.778 -4.369 1.00 62.32 N ATOM 1322 CA ARG A 649 -6.269 -4.700 -4.338 1.00 34.43 C ATOM 1323 C ARG A 649 -5.793 -4.931 -2.906 1.00 42.45 C ATOM 1324 O ARG A 649 -5.595 -6.070 -2.483 1.00 52.42 O ATOM 1325 CB ARG A 649 -5.117 -4.157 -5.186 1.00 1.24 C ATOM 1326 CG ARG A 649 -5.293 -4.397 -6.677 1.00 45.21 C ATOM 1327 CD ARG A 649 -4.005 -4.133 -7.441 1.00 61.32 C ATOM 1328 NE ARG A 649 -3.984 -4.815 -8.731 1.00 2.34 N ATOM 1329 CZ ARG A 649 -3.182 -4.470 -9.733 1.00 70.21 C ATOM 1330 NH1 ARG A 649 -2.338 -3.456 -9.591 1.00 4.33 N ATOM 1331 NH2 ARG A 649 -3.221 -5.139 -10.877 1.00 42.10 N ATOM 0 H ARG A 649 -7.171 -2.844 -4.710 1.00 62.32 H new ATOM 0 HA ARG A 649 -6.600 -5.653 -4.751 1.00 34.43 H new ATOM 0 HB2 ARG A 649 -5.019 -3.086 -5.008 1.00 1.24 H new ATOM 0 HB3 ARG A 649 -4.186 -4.621 -4.859 1.00 1.24 H new ATOM 0 HG2 ARG A 649 -5.613 -5.425 -6.846 1.00 45.21 H new ATOM 0 HG3 ARG A 649 -6.083 -3.751 -7.060 1.00 45.21 H new ATOM 0 HD2 ARG A 649 -3.889 -3.060 -7.596 1.00 61.32 H new ATOM 0 HD3 ARG A 649 -3.155 -4.462 -6.843 1.00 61.32 H new ATOM 0 HE ARG A 649 -4.620 -5.600 -8.871 1.00 2.34 H new ATOM 0 HH11 ARG A 649 -2.304 -2.940 -8.712 1.00 4.33 H new ATOM 0 HH12 ARG A 649 -1.723 -3.193 -10.361 1.00 4.33 H new ATOM 0 HH21 ARG A 649 -3.867 -5.920 -10.989 1.00 42.10 H new ATOM 0 HH22 ARG A 649 -2.605 -4.873 -11.645 1.00 42.10 H new ATOM 1342 N VAL A 650 -5.614 -3.843 -2.165 1.00 71.21 N ATOM 1343 CA VAL A 650 -5.163 -3.927 -0.781 1.00 71.14 C ATOM 1344 C VAL A 650 -6.098 -4.799 0.050 1.00 54.14 C ATOM 1345 O VAL A 650 -5.661 -5.509 0.957 1.00 21.04 O ATOM 1346 CB VAL A 650 -5.072 -2.531 -0.134 1.00 3.52 C ATOM 1347 CG1 VAL A 650 -6.460 -2.009 0.207 1.00 32.22 C ATOM 1348 CG2 VAL A 650 -4.191 -2.575 1.104 1.00 75.41 C ATOM 0 H VAL A 650 -5.774 -2.893 -2.500 1.00 71.21 H new ATOM 0 HA VAL A 650 -4.170 -4.377 -0.799 1.00 71.14 H new ATOM 0 HB VAL A 650 -4.619 -1.846 -0.850 1.00 3.52 H new ATOM 0 HG11 VAL A 650 -6.376 -1.022 0.663 1.00 32.22 H new ATOM 0 HG12 VAL A 650 -7.056 -1.939 -0.703 1.00 32.22 H new ATOM 0 HG13 VAL A 650 -6.944 -2.691 0.906 1.00 32.22 H new ATOM 0 HG21 VAL A 650 -4.138 -1.581 1.548 1.00 75.41 H new ATOM 0 HG22 VAL A 650 -4.613 -3.273 1.827 1.00 75.41 H new ATOM 0 HG23 VAL A 650 -3.189 -2.902 0.826 1.00 75.41 H new ATOM 1358 N LEU A 651 -7.387 -4.743 -0.266 1.00 54.24 N ATOM 1359 CA LEU A 651 -8.386 -5.529 0.450 1.00 74.45 C ATOM 1360 C LEU A 651 -8.265 -7.008 0.105 1.00 1.53 C ATOM 1361 O LEU A 651 -8.351 -7.870 0.978 1.00 62.35 O ATOM 1362 CB LEU A 651 -9.793 -5.027 0.117 1.00 4.05 C ATOM 1363 CG LEU A 651 -10.285 -3.824 0.922 1.00 2.23 C ATOM 1364 CD1 LEU A 651 -11.618 -3.331 0.382 1.00 51.32 C ATOM 1365 CD2 LEU A 651 -10.405 -4.181 2.396 1.00 63.40 C ATOM 0 H LEU A 651 -7.765 -4.161 -1.014 1.00 54.24 H new ATOM 0 HA LEU A 651 -8.209 -5.410 1.519 1.00 74.45 H new ATOM 0 HB2 LEU A 651 -9.823 -4.767 -0.941 1.00 4.05 H new ATOM 0 HB3 LEU A 651 -10.494 -5.848 0.264 1.00 4.05 H new ATOM 0 HG LEU A 651 -9.555 -3.021 0.822 1.00 2.23 H new ATOM 0 HD11 LEU A 651 -11.953 -2.474 0.967 1.00 51.32 H new ATOM 0 HD12 LEU A 651 -11.501 -3.035 -0.661 1.00 51.32 H new ATOM 0 HD13 LEU A 651 -12.357 -4.129 0.452 1.00 51.32 H new ATOM 0 HD21 LEU A 651 -10.756 -3.313 2.953 1.00 63.40 H new ATOM 0 HD22 LEU A 651 -11.114 -5.000 2.515 1.00 63.40 H new ATOM 0 HD23 LEU A 651 -9.430 -4.486 2.777 1.00 63.40 H new ATOM 1376 N ALA A 652 -8.063 -7.296 -1.177 1.00 0.25 N ATOM 1377 CA ALA A 652 -7.925 -8.672 -1.638 1.00 14.43 C ATOM 1378 C ALA A 652 -6.741 -9.360 -0.969 1.00 21.13 C ATOM 1379 O ALA A 652 -6.868 -10.467 -0.447 1.00 43.11 O ATOM 1380 CB ALA A 652 -7.772 -8.709 -3.152 1.00 14.12 C ATOM 0 H ALA A 652 -7.991 -6.595 -1.914 1.00 0.25 H new ATOM 0 HA ALA A 652 -8.830 -9.213 -1.361 1.00 14.43 H new ATOM 0 HB1 ALA A 652 -7.670 -9.743 -3.482 1.00 14.12 H new ATOM 0 HB2 ALA A 652 -8.652 -8.265 -3.618 1.00 14.12 H new ATOM 0 HB3 ALA A 652 -6.885 -8.146 -3.442 1.00 14.12 H new ATOM 1386 N ALA A 653 -5.589 -8.697 -0.988 1.00 24.40 N ATOM 1387 CA ALA A 653 -4.383 -9.245 -0.381 1.00 71.43 C ATOM 1388 C ALA A 653 -4.510 -9.304 1.138 1.00 23.32 C ATOM 1389 O ALA A 653 -4.219 -10.329 1.756 1.00 74.32 O ATOM 1390 CB ALA A 653 -3.170 -8.418 -0.778 1.00 30.51 C ATOM 0 H ALA A 653 -5.466 -7.780 -1.417 1.00 24.40 H new ATOM 0 HA ALA A 653 -4.252 -10.263 -0.748 1.00 71.43 H new ATOM 0 HB1 ALA A 653 -2.276 -8.839 -0.317 1.00 30.51 H new ATOM 0 HB2 ALA A 653 -3.060 -8.431 -1.862 1.00 30.51 H new ATOM 0 HB3 ALA A 653 -3.303 -7.391 -0.439 1.00 30.51 H new ATOM 1396 N HIS A 654 -4.947 -8.199 1.735 1.00 13.45 N ATOM 1397 CA HIS A 654 -5.113 -8.125 3.181 1.00 63.00 C ATOM 1398 C HIS A 654 -6.048 -9.225 3.677 1.00 32.20 C ATOM 1399 O HIS A 654 -5.779 -9.871 4.689 1.00 73.32 O ATOM 1400 CB HIS A 654 -5.659 -6.755 3.584 1.00 21.13 C ATOM 1401 CG HIS A 654 -5.988 -6.647 5.041 1.00 30.30 C ATOM 1402 ND1 HIS A 654 -5.092 -6.188 5.983 1.00 21.20 N ATOM 1403 CD2 HIS A 654 -7.124 -6.940 5.716 1.00 60.23 C ATOM 1404 CE1 HIS A 654 -5.663 -6.205 7.175 1.00 72.42 C ATOM 1405 NE2 HIS A 654 -6.896 -6.656 7.040 1.00 22.11 N ATOM 0 H HIS A 654 -5.192 -7.343 1.238 1.00 13.45 H new ATOM 0 HA HIS A 654 -4.136 -8.267 3.642 1.00 63.00 H new ATOM 0 HB2 HIS A 654 -4.925 -5.991 3.328 1.00 21.13 H new ATOM 0 HB3 HIS A 654 -6.555 -6.544 3.001 1.00 21.13 H new ATOM 0 HD1 HIS A 654 -4.138 -5.883 5.790 1.00 21.20 H new ATOM 0 HD2 HIS A 654 -8.039 -7.325 5.292 1.00 60.23 H new ATOM 0 HE1 HIS A 654 -5.199 -5.901 8.102 1.00 72.42 H new ATOM 1412 N ALA A 655 -7.146 -9.431 2.958 1.00 55.03 N ATOM 1413 CA ALA A 655 -8.119 -10.451 3.324 1.00 73.12 C ATOM 1414 C ALA A 655 -7.597 -11.847 3.004 1.00 4.23 C ATOM 1415 O ALA A 655 -7.684 -12.758 3.828 1.00 44.45 O ATOM 1416 CB ALA A 655 -9.439 -10.202 2.610 1.00 43.45 C ATOM 0 H ALA A 655 -7.384 -8.904 2.118 1.00 55.03 H new ATOM 0 HA ALA A 655 -8.284 -10.391 4.400 1.00 73.12 H new ATOM 0 HB1 ALA A 655 -10.157 -10.972 2.893 1.00 43.45 H new ATOM 0 HB2 ALA A 655 -9.827 -9.223 2.893 1.00 43.45 H new ATOM 0 HB3 ALA A 655 -9.281 -10.232 1.532 1.00 43.45 H new ATOM 1422 N TYR A 656 -7.055 -12.009 1.801 1.00 65.13 N ATOM 1423 CA TYR A 656 -6.522 -13.297 1.371 1.00 40.33 C ATOM 1424 C TYR A 656 -5.452 -13.794 2.339 1.00 43.21 C ATOM 1425 O TYR A 656 -5.490 -14.941 2.786 1.00 75.11 O ATOM 1426 CB TYR A 656 -5.939 -13.185 -0.038 1.00 22.33 C ATOM 1427 CG TYR A 656 -5.183 -14.418 -0.480 1.00 53.31 C ATOM 1428 CD1 TYR A 656 -5.849 -15.503 -1.036 1.00 14.14 C ATOM 1429 CD2 TYR A 656 -3.803 -14.497 -0.342 1.00 30.24 C ATOM 1430 CE1 TYR A 656 -5.163 -16.631 -1.441 1.00 31.02 C ATOM 1431 CE2 TYR A 656 -3.108 -15.621 -0.745 1.00 11.21 C ATOM 1432 CZ TYR A 656 -3.792 -16.685 -1.294 1.00 45.42 C ATOM 1433 OH TYR A 656 -3.105 -17.808 -1.697 1.00 61.22 O ATOM 0 H TYR A 656 -6.973 -11.266 1.107 1.00 65.13 H new ATOM 0 HA TYR A 656 -7.341 -14.017 1.362 1.00 40.33 H new ATOM 0 HB2 TYR A 656 -6.748 -12.993 -0.743 1.00 22.33 H new ATOM 0 HB3 TYR A 656 -5.270 -12.325 -0.078 1.00 22.33 H new ATOM 0 HD1 TYR A 656 -6.922 -15.464 -1.154 1.00 14.14 H new ATOM 0 HD2 TYR A 656 -3.264 -13.666 0.088 1.00 30.24 H new ATOM 0 HE1 TYR A 656 -5.696 -17.466 -1.870 1.00 31.02 H new ATOM 0 HE2 TYR A 656 -2.035 -15.666 -0.631 1.00 11.21 H new ATOM 0 HH TYR A 656 -2.148 -17.685 -1.526 1.00 61.22 H new ATOM 1442 N TRP A 657 -4.501 -12.924 2.657 1.00 64.20 N ATOM 1443 CA TRP A 657 -3.420 -13.274 3.572 1.00 42.15 C ATOM 1444 C TRP A 657 -3.940 -13.412 4.999 1.00 32.21 C ATOM 1445 O TRP A 657 -3.416 -14.201 5.786 1.00 71.31 O ATOM 1446 CB TRP A 657 -2.317 -12.216 3.518 1.00 13.33 C ATOM 1447 CG TRP A 657 -1.565 -12.209 2.221 1.00 74.23 C ATOM 1448 CD1 TRP A 657 -1.473 -11.175 1.334 1.00 74.21 C ATOM 1449 CD2 TRP A 657 -0.802 -13.286 1.667 1.00 72.33 C ATOM 1450 NE1 TRP A 657 -0.698 -11.545 0.261 1.00 54.01 N ATOM 1451 CE2 TRP A 657 -0.274 -12.834 0.441 1.00 3.12 C ATOM 1452 CE3 TRP A 657 -0.511 -14.587 2.087 1.00 54.04 C ATOM 1453 CZ2 TRP A 657 0.526 -13.639 -0.366 1.00 72.43 C ATOM 1454 CZ3 TRP A 657 0.282 -15.384 1.285 1.00 33.11 C ATOM 1455 CH2 TRP A 657 0.794 -14.908 0.070 1.00 73.31 C ATOM 0 H TRP A 657 -4.456 -11.971 2.295 1.00 64.20 H new ATOM 0 HA TRP A 657 -3.008 -14.234 3.260 1.00 42.15 H new ATOM 0 HB2 TRP A 657 -2.758 -11.232 3.679 1.00 13.33 H new ATOM 0 HB3 TRP A 657 -1.617 -12.389 4.335 1.00 13.33 H new ATOM 0 HD1 TRP A 657 -1.940 -10.209 1.457 1.00 74.21 H new ATOM 0 HE1 TRP A 657 -0.475 -10.954 -0.540 1.00 54.01 H new ATOM 0 HE3 TRP A 657 -0.899 -14.962 3.022 1.00 54.04 H new ATOM 0 HZ2 TRP A 657 0.921 -13.275 -1.303 1.00 72.43 H new ATOM 0 HZ3 TRP A 657 0.512 -16.391 1.599 1.00 33.11 H new ATOM 0 HH2 TRP A 657 1.412 -15.556 -0.534 1.00 73.31 H new ATOM 1465 N SER A 658 -4.971 -12.641 5.327 1.00 41.23 N ATOM 1466 CA SER A 658 -5.558 -12.676 6.661 1.00 63.01 C ATOM 1467 C SER A 658 -6.068 -14.076 6.994 1.00 52.11 C ATOM 1468 O SER A 658 -5.988 -14.520 8.139 1.00 13.15 O ATOM 1469 CB SER A 658 -6.703 -11.667 6.764 1.00 73.42 C ATOM 1470 OG SER A 658 -7.626 -12.044 7.771 1.00 53.01 O ATOM 0 H SER A 658 -5.417 -11.984 4.687 1.00 41.23 H new ATOM 0 HA SER A 658 -4.782 -12.410 7.379 1.00 63.01 H new ATOM 0 HB2 SER A 658 -6.302 -10.678 6.986 1.00 73.42 H new ATOM 0 HB3 SER A 658 -7.216 -11.595 5.805 1.00 73.42 H new ATOM 0 HG SER A 658 -8.347 -11.382 7.818 1.00 53.01 H new ATOM 1475 N GLN A 659 -6.592 -14.763 5.985 1.00 31.23 N ATOM 1476 CA GLN A 659 -7.115 -16.112 6.170 1.00 34.42 C ATOM 1477 C GLN A 659 -6.046 -17.036 6.743 1.00 3.21 C ATOM 1478 O GLN A 659 -6.359 -18.040 7.383 1.00 51.34 O ATOM 1479 CB GLN A 659 -7.629 -16.670 4.841 1.00 74.24 C ATOM 1480 CG GLN A 659 -8.577 -17.846 5.002 1.00 42.42 C ATOM 1481 CD GLN A 659 -9.237 -18.246 3.696 1.00 64.51 C ATOM 1482 OE1 GLN A 659 -10.231 -17.649 3.282 1.00 2.23 O ATOM 1483 NE2 GLN A 659 -8.686 -19.261 3.041 1.00 41.33 N ATOM 0 H GLN A 659 -6.666 -14.409 5.031 1.00 31.23 H new ATOM 0 HA GLN A 659 -7.942 -16.060 6.878 1.00 34.42 H new ATOM 0 HB2 GLN A 659 -8.138 -15.876 4.295 1.00 74.24 H new ATOM 0 HB3 GLN A 659 -6.779 -16.980 4.233 1.00 74.24 H new ATOM 0 HG2 GLN A 659 -8.028 -18.698 5.403 1.00 42.42 H new ATOM 0 HG3 GLN A 659 -9.347 -17.591 5.730 1.00 42.42 H new ATOM 0 HE21 GLN A 659 -7.862 -19.727 3.422 1.00 41.33 H new ATOM 0 HE22 GLN A 659 -9.086 -19.575 2.157 1.00 41.33 H new