USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=9 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 624 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 628 HIS : no HD1:sc= -0.217 X(o=-0.22,f=-0.63) USER MOD Single : A 581 SER OG : rot 25:sc= 0.152 USER MOD Single : A 594 HIS : no HD1:sc= -0.076 X(o=-0.076,f=0) USER MOD Single : A 597 THR OG1 : rot 180:sc= 0 USER MOD Single : A 604 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ -168:sc= -0.0395 (180deg=-0.222) USER MOD Single : A 622 LYS NZ :NH3+ 180:sc= -0.33 (180deg=-0.33) USER MOD Single : A 625 THR OG1 : rot 180:sc= 0 USER MOD Single : A 629 THR OG1 : rot 79:sc= 0.562 USER MOD Single : A 631 SER OG : rot -60:sc= 0.925 USER MOD Single : A 644 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 654 HIS : no HD1:sc= -0.0818 X(o=-0.082,f=-0.28) 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 1.930 9.354 -0.883 1.00 41.14 N ATOM 322 CA SER A 581 1.242 9.895 -2.049 1.00 32.03 C ATOM 323 C SER A 581 0.702 8.773 -2.930 1.00 10.20 C ATOM 324 O SER A 581 1.015 7.600 -2.723 1.00 10.30 O ATOM 325 CB SER A 581 2.188 10.783 -2.858 1.00 32.51 C ATOM 326 OG SER A 581 2.784 11.775 -2.038 1.00 14.43 O ATOM 0 HA SER A 581 0.402 10.495 -1.699 1.00 32.03 H new ATOM 0 HB2 SER A 581 2.965 10.170 -3.315 1.00 32.51 H new ATOM 0 HB3 SER A 581 1.639 11.260 -3.670 1.00 32.51 H new ATOM 0 HG SER A 581 2.803 11.464 -1.109 1.00 14.43 H new ATOM 331 N VAL A 582 -0.112 9.141 -3.915 1.00 51.14 N ATOM 332 CA VAL A 582 -0.696 8.167 -4.829 1.00 61.34 C ATOM 333 C VAL A 582 0.377 7.264 -5.428 1.00 35.51 C ATOM 334 O VAL A 582 0.159 6.070 -5.624 1.00 54.20 O ATOM 335 CB VAL A 582 -1.466 8.860 -5.970 1.00 43.52 C ATOM 336 CG1 VAL A 582 -2.034 7.828 -6.932 1.00 14.12 C ATOM 337 CG2 VAL A 582 -2.570 9.742 -5.407 1.00 10.02 C ATOM 0 H VAL A 582 -0.382 10.107 -4.100 1.00 51.14 H new ATOM 0 HA VAL A 582 -1.391 7.562 -4.247 1.00 61.34 H new ATOM 0 HB VAL A 582 -0.773 9.494 -6.523 1.00 43.52 H new ATOM 0 HG11 VAL A 582 -2.575 8.335 -7.731 1.00 14.12 H new ATOM 0 HG12 VAL A 582 -1.220 7.242 -7.359 1.00 14.12 H new ATOM 0 HG13 VAL A 582 -2.715 7.167 -6.396 1.00 14.12 H new ATOM 0 HG21 VAL A 582 -3.104 10.224 -6.226 1.00 10.02 H new ATOM 0 HG22 VAL A 582 -3.265 9.132 -4.830 1.00 10.02 H new ATOM 0 HG23 VAL A 582 -2.133 10.503 -4.761 1.00 10.02 H new ATOM 347 N ALA A 583 1.536 7.845 -5.719 1.00 60.44 N ATOM 348 CA ALA A 583 2.645 7.094 -6.294 1.00 45.11 C ATOM 349 C ALA A 583 3.234 6.121 -5.278 1.00 43.51 C ATOM 350 O ALA A 583 3.444 4.946 -5.581 1.00 63.35 O ATOM 351 CB ALA A 583 3.719 8.044 -6.802 1.00 4.42 C ATOM 0 H ALA A 583 1.731 8.834 -5.566 1.00 60.44 H new ATOM 0 HA ALA A 583 2.262 6.514 -7.134 1.00 45.11 H new ATOM 0 HB1 ALA A 583 4.541 7.469 -7.229 1.00 4.42 H new ATOM 0 HB2 ALA A 583 3.296 8.695 -7.567 1.00 4.42 H new ATOM 0 HB3 ALA A 583 4.090 8.649 -5.975 1.00 4.42 H new ATOM 357 N GLU A 584 3.497 6.617 -4.073 1.00 31.15 N ATOM 358 CA GLU A 584 4.064 5.789 -3.014 1.00 74.22 C ATOM 359 C GLU A 584 3.103 4.669 -2.627 1.00 23.24 C ATOM 360 O GLU A 584 3.465 3.492 -2.646 1.00 3.34 O ATOM 361 CB GLU A 584 4.389 6.644 -1.788 1.00 54.12 C ATOM 362 CG GLU A 584 5.102 7.943 -2.123 1.00 52.24 C ATOM 363 CD GLU A 584 5.689 8.619 -0.898 1.00 42.42 C ATOM 364 OE1 GLU A 584 5.934 7.917 0.105 1.00 42.25 O ATOM 365 OE2 GLU A 584 5.904 9.848 -0.943 1.00 13.43 O ATOM 0 H GLU A 584 3.327 7.587 -3.806 1.00 31.15 H new ATOM 0 HA GLU A 584 4.984 5.341 -3.390 1.00 74.22 H new ATOM 0 HB2 GLU A 584 3.463 6.873 -1.260 1.00 54.12 H new ATOM 0 HB3 GLU A 584 5.010 6.064 -1.105 1.00 54.12 H new ATOM 0 HG2 GLU A 584 5.899 7.742 -2.839 1.00 52.24 H new ATOM 0 HG3 GLU A 584 4.402 8.623 -2.608 1.00 52.24 H new ATOM 370 N VAL A 585 1.877 5.043 -2.276 1.00 0.02 N ATOM 371 CA VAL A 585 0.864 4.070 -1.884 1.00 75.02 C ATOM 372 C VAL A 585 0.690 2.998 -2.954 1.00 11.30 C ATOM 373 O VAL A 585 0.416 1.838 -2.645 1.00 23.13 O ATOM 374 CB VAL A 585 -0.495 4.748 -1.627 1.00 40.13 C ATOM 375 CG1 VAL A 585 -1.530 3.722 -1.191 1.00 51.10 C ATOM 376 CG2 VAL A 585 -0.352 5.848 -0.585 1.00 0.12 C ATOM 0 H VAL A 585 1.561 6.013 -2.255 1.00 0.02 H new ATOM 0 HA VAL A 585 1.211 3.606 -0.961 1.00 75.02 H new ATOM 0 HB VAL A 585 -0.837 5.201 -2.557 1.00 40.13 H new ATOM 0 HG11 VAL A 585 -2.484 4.220 -1.014 1.00 51.10 H new ATOM 0 HG12 VAL A 585 -1.651 2.973 -1.973 1.00 51.10 H new ATOM 0 HG13 VAL A 585 -1.198 3.238 -0.273 1.00 51.10 H new ATOM 0 HG21 VAL A 585 -1.321 6.317 -0.415 1.00 0.12 H new ATOM 0 HG22 VAL A 585 0.012 5.420 0.349 1.00 0.12 H new ATOM 0 HG23 VAL A 585 0.356 6.597 -0.941 1.00 0.12 H new ATOM 386 N GLU A 586 0.849 3.394 -4.213 1.00 10.32 N ATOM 387 CA GLU A 586 0.709 2.465 -5.328 1.00 1.24 C ATOM 388 C GLU A 586 1.767 1.367 -5.259 1.00 12.32 C ATOM 389 O GLU A 586 1.449 0.180 -5.318 1.00 65.13 O ATOM 390 CB GLU A 586 0.819 3.212 -6.659 1.00 2.11 C ATOM 391 CG GLU A 586 -0.518 3.684 -7.205 1.00 70.33 C ATOM 392 CD GLU A 586 -0.367 4.647 -8.367 1.00 25.42 C ATOM 393 OE1 GLU A 586 0.593 5.445 -8.355 1.00 31.41 O ATOM 394 OE2 GLU A 586 -1.209 4.601 -9.287 1.00 30.45 O ATOM 0 H GLU A 586 1.075 4.351 -4.486 1.00 10.32 H new ATOM 0 HA GLU A 586 -0.275 2.001 -5.260 1.00 1.24 H new ATOM 0 HB2 GLU A 586 1.473 4.074 -6.529 1.00 2.11 H new ATOM 0 HB3 GLU A 586 1.292 2.560 -7.394 1.00 2.11 H new ATOM 0 HG2 GLU A 586 -1.100 2.820 -7.527 1.00 70.33 H new ATOM 0 HG3 GLU A 586 -1.081 4.168 -6.407 1.00 70.33 H new ATOM 399 N ALA A 587 3.026 1.774 -5.135 1.00 4.02 N ATOM 400 CA ALA A 587 4.131 0.827 -5.057 1.00 54.54 C ATOM 401 C ALA A 587 4.030 -0.032 -3.800 1.00 14.44 C ATOM 402 O ALA A 587 4.445 -1.191 -3.792 1.00 4.14 O ATOM 403 CB ALA A 587 5.461 1.564 -5.088 1.00 21.04 C ATOM 0 H ALA A 587 3.306 2.754 -5.086 1.00 4.02 H new ATOM 0 HA ALA A 587 4.073 0.167 -5.923 1.00 54.54 H new ATOM 0 HB1 ALA A 587 6.277 0.844 -5.029 1.00 21.04 H new ATOM 0 HB2 ALA A 587 5.542 2.129 -6.016 1.00 21.04 H new ATOM 0 HB3 ALA A 587 5.518 2.247 -4.241 1.00 21.04 H new ATOM 409 N LEU A 588 3.475 0.544 -2.739 1.00 64.32 N ATOM 410 CA LEU A 588 3.320 -0.168 -1.475 1.00 4.22 C ATOM 411 C LEU A 588 2.330 -1.321 -1.618 1.00 23.42 C ATOM 412 O LEU A 588 2.649 -2.468 -1.306 1.00 13.31 O ATOM 413 CB LEU A 588 2.849 0.790 -0.381 1.00 71.34 C ATOM 414 CG LEU A 588 3.002 0.295 1.058 1.00 11.02 C ATOM 415 CD1 LEU A 588 2.004 -0.815 1.348 1.00 61.11 C ATOM 416 CD2 LEU A 588 4.424 -0.185 1.307 1.00 61.34 C ATOM 0 H LEU A 588 3.125 1.502 -2.729 1.00 64.32 H new ATOM 0 HA LEU A 588 4.291 -0.578 -1.196 1.00 4.22 H new ATOM 0 HB2 LEU A 588 3.400 1.725 -0.483 1.00 71.34 H new ATOM 0 HB3 LEU A 588 1.798 1.019 -0.555 1.00 71.34 H new ATOM 0 HG LEU A 588 2.797 1.126 1.733 1.00 11.02 H new ATOM 0 HD11 LEU A 588 2.127 -1.155 2.376 1.00 61.11 H new ATOM 0 HD12 LEU A 588 0.991 -0.439 1.209 1.00 61.11 H new ATOM 0 HD13 LEU A 588 2.178 -1.648 0.667 1.00 61.11 H new ATOM 0 HD21 LEU A 588 4.515 -0.534 2.336 1.00 61.34 H new ATOM 0 HD22 LEU A 588 4.657 -1.002 0.625 1.00 61.34 H new ATOM 0 HD23 LEU A 588 5.120 0.637 1.139 1.00 61.34 H new ATOM 427 N VAL A 589 1.130 -1.007 -2.095 1.00 60.42 N ATOM 428 CA VAL A 589 0.094 -2.017 -2.282 1.00 31.53 C ATOM 429 C VAL A 589 0.543 -3.088 -3.269 1.00 25.43 C ATOM 430 O VAL A 589 0.523 -4.279 -2.959 1.00 33.54 O ATOM 431 CB VAL A 589 -1.218 -1.387 -2.786 1.00 3.01 C ATOM 432 CG1 VAL A 589 -2.305 -2.444 -2.906 1.00 32.21 C ATOM 433 CG2 VAL A 589 -1.658 -0.261 -1.863 1.00 24.42 C ATOM 0 H VAL A 589 0.851 -0.062 -2.359 1.00 60.42 H new ATOM 0 HA VAL A 589 -0.082 -2.475 -1.309 1.00 31.53 H new ATOM 0 HB VAL A 589 -1.042 -0.966 -3.776 1.00 3.01 H new ATOM 0 HG11 VAL A 589 -3.225 -1.981 -3.263 1.00 32.21 H new ATOM 0 HG12 VAL A 589 -1.988 -3.213 -3.610 1.00 32.21 H new ATOM 0 HG13 VAL A 589 -2.482 -2.896 -1.930 1.00 32.21 H new ATOM 0 HG21 VAL A 589 -2.587 0.172 -2.235 1.00 24.42 H new ATOM 0 HG22 VAL A 589 -1.818 -0.655 -0.859 1.00 24.42 H new ATOM 0 HG23 VAL A 589 -0.886 0.507 -1.833 1.00 24.42 H new ATOM 443 N GLU A 590 0.950 -2.655 -4.459 1.00 12.53 N ATOM 444 CA GLU A 590 1.404 -3.578 -5.492 1.00 2.11 C ATOM 445 C GLU A 590 2.474 -4.522 -4.948 1.00 75.42 C ATOM 446 O GLU A 590 2.519 -5.698 -5.304 1.00 3.04 O ATOM 447 CB GLU A 590 1.954 -2.805 -6.693 1.00 60.12 C ATOM 448 CG GLU A 590 0.928 -1.905 -7.359 1.00 35.00 C ATOM 449 CD GLU A 590 1.565 -0.790 -8.164 1.00 14.31 C ATOM 450 OE1 GLU A 590 2.782 -0.869 -8.429 1.00 1.52 O ATOM 451 OE2 GLU A 590 0.845 0.163 -8.531 1.00 41.43 O ATOM 0 H GLU A 590 0.974 -1.672 -4.731 1.00 12.53 H new ATOM 0 HA GLU A 590 0.548 -4.172 -5.812 1.00 2.11 H new ATOM 0 HB2 GLU A 590 2.800 -2.199 -6.368 1.00 60.12 H new ATOM 0 HB3 GLU A 590 2.334 -3.515 -7.428 1.00 60.12 H new ATOM 0 HG2 GLU A 590 0.295 -2.504 -8.013 1.00 35.00 H new ATOM 0 HG3 GLU A 590 0.280 -1.473 -6.597 1.00 35.00 H new ATOM 456 N ALA A 591 3.333 -3.994 -4.081 1.00 33.35 N ATOM 457 CA ALA A 591 4.401 -4.787 -3.486 1.00 44.43 C ATOM 458 C ALA A 591 3.848 -5.767 -2.455 1.00 21.44 C ATOM 459 O ALA A 591 4.291 -6.913 -2.374 1.00 14.10 O ATOM 460 CB ALA A 591 5.441 -3.879 -2.848 1.00 32.24 C ATOM 0 H ALA A 591 3.309 -3.021 -3.776 1.00 33.35 H new ATOM 0 HA ALA A 591 4.876 -5.364 -4.279 1.00 44.43 H new ATOM 0 HB1 ALA A 591 6.232 -4.485 -2.408 1.00 32.24 H new ATOM 0 HB2 ALA A 591 5.866 -3.223 -3.608 1.00 32.24 H new ATOM 0 HB3 ALA A 591 4.970 -3.277 -2.071 1.00 32.24 H new ATOM 466 N VAL A 592 2.880 -5.307 -1.669 1.00 30.11 N ATOM 467 CA VAL A 592 2.267 -6.143 -0.644 1.00 73.52 C ATOM 468 C VAL A 592 1.338 -7.181 -1.263 1.00 24.12 C ATOM 469 O VAL A 592 1.107 -8.243 -0.687 1.00 64.44 O ATOM 470 CB VAL A 592 1.471 -5.296 0.368 1.00 12.23 C ATOM 471 CG1 VAL A 592 0.561 -6.182 1.205 1.00 75.14 C ATOM 472 CG2 VAL A 592 2.414 -4.498 1.254 1.00 22.44 C ATOM 0 H VAL A 592 2.504 -4.360 -1.722 1.00 30.11 H new ATOM 0 HA VAL A 592 3.078 -6.652 -0.123 1.00 73.52 H new ATOM 0 HB VAL A 592 0.847 -4.593 -0.184 1.00 12.23 H new ATOM 0 HG11 VAL A 592 0.007 -5.567 1.914 1.00 75.14 H new ATOM 0 HG12 VAL A 592 -0.139 -6.704 0.553 1.00 75.14 H new ATOM 0 HG13 VAL A 592 1.162 -6.910 1.749 1.00 75.14 H new ATOM 0 HG21 VAL A 592 1.834 -3.906 1.962 1.00 22.44 H new ATOM 0 HG22 VAL A 592 3.066 -5.181 1.800 1.00 22.44 H new ATOM 0 HG23 VAL A 592 3.019 -3.834 0.636 1.00 22.44 H new ATOM 482 N GLU A 593 0.811 -6.867 -2.442 1.00 73.31 N ATOM 483 CA GLU A 593 -0.093 -7.773 -3.140 1.00 43.21 C ATOM 484 C GLU A 593 0.672 -8.949 -3.739 1.00 2.34 C ATOM 485 O GLU A 593 0.202 -10.087 -3.718 1.00 55.53 O ATOM 486 CB GLU A 593 -0.849 -7.027 -4.241 1.00 32.13 C ATOM 487 CG GLU A 593 -2.307 -6.762 -3.907 1.00 51.45 C ATOM 488 CD GLU A 593 -3.216 -7.907 -4.310 1.00 54.02 C ATOM 489 OE1 GLU A 593 -2.770 -9.071 -4.244 1.00 51.20 O ATOM 490 OE2 GLU A 593 -4.374 -7.637 -4.691 1.00 11.23 O ATOM 0 H GLU A 593 0.994 -5.992 -2.934 1.00 73.31 H new ATOM 0 HA GLU A 593 -0.810 -8.160 -2.416 1.00 43.21 H new ATOM 0 HB2 GLU A 593 -0.351 -6.077 -4.432 1.00 32.13 H new ATOM 0 HB3 GLU A 593 -0.796 -7.606 -5.163 1.00 32.13 H new ATOM 0 HG2 GLU A 593 -2.404 -6.586 -2.836 1.00 51.45 H new ATOM 0 HG3 GLU A 593 -2.631 -5.851 -4.410 1.00 51.45 H new ATOM 495 N HIS A 594 1.855 -8.666 -4.276 1.00 61.21 N ATOM 496 CA HIS A 594 2.688 -9.700 -4.882 1.00 52.53 C ATOM 497 C HIS A 594 3.551 -10.389 -3.830 1.00 71.32 C ATOM 498 O HIS A 594 3.631 -11.617 -3.783 1.00 52.33 O ATOM 499 CB HIS A 594 3.574 -9.097 -5.971 1.00 13.53 C ATOM 500 CG HIS A 594 2.812 -8.636 -7.176 1.00 1.43 C ATOM 501 ND1 HIS A 594 3.422 -8.263 -8.355 1.00 32.12 N ATOM 502 CD2 HIS A 594 1.482 -8.491 -7.381 1.00 4.54 C ATOM 503 CE1 HIS A 594 2.501 -7.906 -9.231 1.00 14.03 C ATOM 504 NE2 HIS A 594 1.315 -8.036 -8.665 1.00 13.33 N ATOM 0 H HIS A 594 2.258 -7.730 -4.304 1.00 61.21 H new ATOM 0 HA HIS A 594 2.031 -10.445 -5.330 1.00 52.53 H new ATOM 0 HB2 HIS A 594 4.124 -8.253 -5.554 1.00 13.53 H new ATOM 0 HB3 HIS A 594 4.312 -9.838 -6.279 1.00 13.53 H new ATOM 0 HD2 HIS A 594 0.698 -8.695 -6.667 1.00 4.54 H new ATOM 0 HE1 HIS A 594 2.686 -7.566 -10.239 1.00 14.03 H new ATOM 0 HE2 HIS A 594 0.420 -7.831 -9.110 1.00 13.33 H new ATOM 511 N LEU A 595 4.197 -9.590 -2.987 1.00 70.51 N ATOM 512 CA LEU A 595 5.057 -10.122 -1.936 1.00 31.31 C ATOM 513 C LEU A 595 4.230 -10.600 -0.746 1.00 22.53 C ATOM 514 O LEU A 595 4.674 -11.444 0.031 1.00 54.23 O ATOM 515 CB LEU A 595 6.058 -9.059 -1.481 1.00 21.44 C ATOM 516 CG LEU A 595 6.949 -8.465 -2.573 1.00 32.11 C ATOM 517 CD1 LEU A 595 7.482 -7.106 -2.147 1.00 62.20 C ATOM 518 CD2 LEU A 595 8.095 -9.411 -2.899 1.00 22.30 C ATOM 0 H LEU A 595 4.141 -8.572 -3.011 1.00 70.51 H new ATOM 0 HA LEU A 595 5.601 -10.974 -2.343 1.00 31.31 H new ATOM 0 HB2 LEU A 595 5.505 -8.247 -1.009 1.00 21.44 H new ATOM 0 HB3 LEU A 595 6.699 -9.496 -0.715 1.00 21.44 H new ATOM 0 HG LEU A 595 6.348 -8.331 -3.472 1.00 32.11 H new ATOM 0 HD11 LEU A 595 8.114 -6.699 -2.937 1.00 62.20 H new ATOM 0 HD12 LEU A 595 6.648 -6.429 -1.965 1.00 62.20 H new ATOM 0 HD13 LEU A 595 8.067 -7.215 -1.234 1.00 62.20 H new ATOM 0 HD21 LEU A 595 8.719 -8.972 -3.678 1.00 22.30 H new ATOM 0 HD22 LEU A 595 8.695 -9.577 -2.004 1.00 22.30 H new ATOM 0 HD23 LEU A 595 7.693 -10.362 -3.249 1.00 22.30 H new ATOM 529 N GLY A 596 3.025 -10.055 -0.613 1.00 72.02 N ATOM 530 CA GLY A 596 2.154 -10.440 0.483 1.00 12.10 C ATOM 531 C GLY A 596 2.450 -9.671 1.755 1.00 72.11 C ATOM 532 O GLY A 596 3.278 -8.761 1.762 1.00 33.41 O ATOM 0 H GLY A 596 2.636 -9.354 -1.244 1.00 72.02 H new ATOM 0 HA2 GLY A 596 1.116 -10.273 0.194 1.00 12.10 H new ATOM 0 HA3 GLY A 596 2.264 -11.508 0.673 1.00 12.10 H new ATOM 536 N THR A 597 1.769 -10.037 2.837 1.00 60.32 N ATOM 537 CA THR A 597 1.961 -9.373 4.121 1.00 40.53 C ATOM 538 C THR A 597 2.971 -10.123 4.982 1.00 12.42 C ATOM 539 O THR A 597 2.911 -10.076 6.210 1.00 32.11 O ATOM 540 CB THR A 597 0.634 -9.252 4.894 1.00 11.04 C ATOM 541 OG1 THR A 597 0.003 -10.535 4.990 1.00 32.14 O ATOM 542 CG2 THR A 597 -0.304 -8.270 4.209 1.00 3.53 C ATOM 0 H THR A 597 1.080 -10.789 2.850 1.00 60.32 H new ATOM 0 HA THR A 597 2.341 -8.374 3.907 1.00 40.53 H new ATOM 0 HB THR A 597 0.855 -8.881 5.895 1.00 11.04 H new ATOM 0 HG1 THR A 597 -0.839 -10.449 5.484 1.00 32.14 H new ATOM 0 HG21 THR A 597 -1.234 -8.201 4.773 1.00 3.53 H new ATOM 0 HG22 THR A 597 0.167 -7.288 4.165 1.00 3.53 H new ATOM 0 HG23 THR A 597 -0.518 -8.616 3.198 1.00 3.53 H new ATOM 550 N GLY A 598 3.899 -10.816 4.329 1.00 31.33 N ATOM 551 CA GLY A 598 4.910 -11.565 5.051 1.00 44.20 C ATOM 552 C GLY A 598 6.319 -11.130 4.698 1.00 43.03 C ATOM 553 O GLY A 598 7.245 -11.302 5.490 1.00 22.12 O ATOM 0 H GLY A 598 3.968 -10.872 3.313 1.00 31.33 H new ATOM 0 HA2 GLY A 598 4.753 -11.441 6.122 1.00 44.20 H new ATOM 0 HA3 GLY A 598 4.796 -12.627 4.833 1.00 44.20 H new ATOM 557 N ARG A 599 6.480 -10.566 3.505 1.00 74.13 N ATOM 558 CA ARG A 599 7.786 -10.108 3.048 1.00 74.13 C ATOM 559 C ARG A 599 7.876 -8.585 3.097 1.00 20.10 C ATOM 560 O ARG A 599 7.875 -7.919 2.062 1.00 3.11 O ATOM 561 CB ARG A 599 8.053 -10.598 1.624 1.00 53.11 C ATOM 562 CG ARG A 599 8.518 -12.044 1.554 1.00 50.24 C ATOM 563 CD ARG A 599 8.264 -12.646 0.182 1.00 51.23 C ATOM 564 NE ARG A 599 9.149 -13.774 -0.093 1.00 30.44 N ATOM 565 CZ ARG A 599 8.937 -15.004 0.362 1.00 14.14 C ATOM 566 NH1 ARG A 599 7.873 -15.262 1.109 1.00 43.13 N ATOM 567 NH2 ARG A 599 9.789 -15.978 0.068 1.00 52.21 N ATOM 0 H ARG A 599 5.723 -10.416 2.838 1.00 74.13 H new ATOM 0 HA ARG A 599 8.542 -10.522 3.716 1.00 74.13 H new ATOM 0 HB2 ARG A 599 7.142 -10.489 1.035 1.00 53.11 H new ATOM 0 HB3 ARG A 599 8.808 -9.960 1.165 1.00 53.11 H new ATOM 0 HG2 ARG A 599 9.582 -12.096 1.784 1.00 50.24 H new ATOM 0 HG3 ARG A 599 7.999 -12.631 2.312 1.00 50.24 H new ATOM 0 HD2 ARG A 599 7.227 -12.975 0.117 1.00 51.23 H new ATOM 0 HD3 ARG A 599 8.404 -11.881 -0.581 1.00 51.23 H new ATOM 0 HE ARG A 599 9.976 -13.609 -0.666 1.00 30.44 H new ATOM 0 HH11 ARG A 599 7.216 -14.516 1.335 1.00 43.13 H new ATOM 0 HH12 ARG A 599 7.712 -16.207 1.458 1.00 43.13 H new ATOM 0 HH21 ARG A 599 10.608 -15.783 -0.508 1.00 52.21 H new ATOM 0 HH22 ARG A 599 9.625 -16.922 0.418 1.00 52.21 H new ATOM 578 N TRP A 600 7.952 -8.042 4.306 1.00 73.32 N ATOM 579 CA TRP A 600 8.041 -6.597 4.491 1.00 3.32 C ATOM 580 C TRP A 600 9.281 -6.036 3.804 1.00 0.52 C ATOM 581 O TRP A 600 9.200 -5.064 3.053 1.00 0.25 O ATOM 582 CB TRP A 600 8.070 -6.254 5.982 1.00 34.34 C ATOM 583 CG TRP A 600 7.007 -6.954 6.772 1.00 65.31 C ATOM 584 CD1 TRP A 600 5.688 -7.081 6.442 1.00 75.43 C ATOM 585 CD2 TRP A 600 7.174 -7.623 8.027 1.00 21.32 C ATOM 586 NE1 TRP A 600 5.026 -7.787 7.416 1.00 52.52 N ATOM 587 CE2 TRP A 600 5.915 -8.133 8.399 1.00 22.20 C ATOM 588 CE3 TRP A 600 8.266 -7.843 8.872 1.00 4.22 C ATOM 589 CZ2 TRP A 600 5.719 -8.846 9.579 1.00 4.24 C ATOM 590 CZ3 TRP A 600 8.070 -8.552 10.041 1.00 43.15 C ATOM 591 CH2 TRP A 600 6.806 -9.047 10.387 1.00 1.53 C ATOM 0 H TRP A 600 7.954 -8.579 5.173 1.00 73.32 H new ATOM 0 HA TRP A 600 7.160 -6.143 4.038 1.00 3.32 H new ATOM 0 HB2 TRP A 600 9.047 -6.515 6.389 1.00 34.34 H new ATOM 0 HB3 TRP A 600 7.952 -5.177 6.102 1.00 34.34 H new ATOM 0 HD1 TRP A 600 5.233 -6.684 5.547 1.00 75.43 H new ATOM 0 HE1 TRP A 600 4.032 -8.017 7.409 1.00 52.52 H new ATOM 0 HE3 TRP A 600 9.245 -7.465 8.615 1.00 4.22 H new ATOM 0 HZ2 TRP A 600 4.745 -9.227 9.847 1.00 4.24 H new ATOM 0 HZ3 TRP A 600 8.907 -8.728 10.701 1.00 43.15 H new ATOM 0 HH2 TRP A 600 6.687 -9.598 11.308 1.00 1.53 H new ATOM 601 N ARG A 601 10.428 -6.655 4.065 1.00 71.23 N ATOM 602 CA ARG A 601 11.685 -6.215 3.471 1.00 45.41 C ATOM 603 C ARG A 601 11.561 -6.105 1.955 1.00 1.35 C ATOM 604 O ARG A 601 11.997 -5.122 1.356 1.00 53.31 O ATOM 605 CB ARG A 601 12.811 -7.187 3.832 1.00 71.13 C ATOM 606 CG ARG A 601 12.963 -7.415 5.328 1.00 0.42 C ATOM 607 CD ARG A 601 14.072 -8.410 5.629 1.00 62.04 C ATOM 608 NE ARG A 601 13.895 -9.664 4.901 1.00 64.51 N ATOM 609 CZ ARG A 601 14.824 -10.611 4.833 1.00 64.22 C ATOM 610 NH1 ARG A 601 15.989 -10.448 5.447 1.00 11.21 N ATOM 611 NH2 ARG A 601 14.590 -11.725 4.151 1.00 31.12 N ATOM 0 H ARG A 601 10.513 -7.462 4.683 1.00 71.23 H new ATOM 0 HA ARG A 601 11.922 -5.229 3.871 1.00 45.41 H new ATOM 0 HB2 ARG A 601 12.624 -8.144 3.344 1.00 71.13 H new ATOM 0 HB3 ARG A 601 13.751 -6.805 3.434 1.00 71.13 H new ATOM 0 HG2 ARG A 601 13.179 -6.467 5.822 1.00 0.42 H new ATOM 0 HG3 ARG A 601 12.022 -7.781 5.739 1.00 0.42 H new ATOM 0 HD2 ARG A 601 15.034 -7.971 5.366 1.00 62.04 H new ATOM 0 HD3 ARG A 601 14.096 -8.613 6.700 1.00 62.04 H new ATOM 0 HE ARG A 601 13.010 -9.821 4.419 1.00 64.51 H new ATOM 0 HH11 ARG A 601 16.173 -9.594 5.973 1.00 11.21 H new ATOM 0 HH12 ARG A 601 16.700 -11.177 5.393 1.00 11.21 H new ATOM 0 HH21 ARG A 601 13.696 -11.855 3.678 1.00 31.12 H new ATOM 0 HH22 ARG A 601 15.304 -12.451 4.100 1.00 31.12 H new ATOM 622 N ASP A 602 10.965 -7.121 1.340 1.00 21.42 N ATOM 623 CA ASP A 602 10.783 -7.139 -0.107 1.00 34.31 C ATOM 624 C ASP A 602 9.874 -5.997 -0.554 1.00 62.41 C ATOM 625 O ASP A 602 10.064 -5.422 -1.626 1.00 0.02 O ATOM 626 CB ASP A 602 10.196 -8.478 -0.553 1.00 25.30 C ATOM 627 CG ASP A 602 11.002 -9.659 -0.048 1.00 25.13 C ATOM 628 OD1 ASP A 602 12.128 -9.442 0.445 1.00 64.12 O ATOM 629 OD2 ASP A 602 10.506 -10.801 -0.146 1.00 51.51 O ATOM 0 H ASP A 602 10.600 -7.943 1.821 1.00 21.42 H new ATOM 0 HA ASP A 602 11.760 -7.007 -0.573 1.00 34.31 H new ATOM 0 HB2 ASP A 602 9.171 -8.560 -0.192 1.00 25.30 H new ATOM 0 HB3 ASP A 602 10.154 -8.509 -1.642 1.00 25.30 H new ATOM 633 N VAL A 603 8.886 -5.675 0.275 1.00 1.34 N ATOM 634 CA VAL A 603 7.948 -4.603 -0.035 1.00 22.34 C ATOM 635 C VAL A 603 8.654 -3.252 -0.086 1.00 52.55 C ATOM 636 O VAL A 603 8.264 -2.364 -0.844 1.00 43.23 O ATOM 637 CB VAL A 603 6.811 -4.536 1.001 1.00 51.23 C ATOM 638 CG1 VAL A 603 5.995 -3.266 0.818 1.00 12.10 C ATOM 639 CG2 VAL A 603 5.923 -5.768 0.898 1.00 25.43 C ATOM 0 H VAL A 603 8.715 -6.141 1.166 1.00 1.34 H new ATOM 0 HA VAL A 603 7.525 -4.826 -1.015 1.00 22.34 H new ATOM 0 HB VAL A 603 7.253 -4.516 1.997 1.00 51.23 H new ATOM 0 HG11 VAL A 603 5.196 -3.237 1.559 1.00 12.10 H new ATOM 0 HG12 VAL A 603 6.641 -2.397 0.946 1.00 12.10 H new ATOM 0 HG13 VAL A 603 5.562 -3.253 -0.182 1.00 12.10 H new ATOM 0 HG21 VAL A 603 5.125 -5.704 1.637 1.00 25.43 H new ATOM 0 HG22 VAL A 603 5.489 -5.821 -0.101 1.00 25.43 H new ATOM 0 HG23 VAL A 603 6.518 -6.662 1.083 1.00 25.43 H new ATOM 649 N LYS A 604 9.695 -3.105 0.726 1.00 70.31 N ATOM 650 CA LYS A 604 10.458 -1.863 0.774 1.00 74.40 C ATOM 651 C LYS A 604 11.254 -1.665 -0.511 1.00 33.55 C ATOM 652 O LYS A 604 11.213 -0.596 -1.120 1.00 35.31 O ATOM 653 CB LYS A 604 11.404 -1.868 1.977 1.00 23.42 C ATOM 654 CG LYS A 604 12.399 -0.720 1.973 1.00 75.44 C ATOM 655 CD LYS A 604 13.327 -0.782 3.174 1.00 20.13 C ATOM 656 CE LYS A 604 14.432 -1.808 2.972 1.00 63.03 C ATOM 657 NZ LYS A 604 15.073 -2.192 4.260 1.00 23.32 N ATOM 0 H LYS A 604 10.030 -3.830 1.360 1.00 70.31 H new ATOM 0 HA LYS A 604 9.755 -1.037 0.876 1.00 74.40 H new ATOM 0 HB2 LYS A 604 10.814 -1.823 2.893 1.00 23.42 H new ATOM 0 HB3 LYS A 604 11.950 -2.811 1.995 1.00 23.42 H new ATOM 0 HG2 LYS A 604 12.987 -0.750 1.056 1.00 75.44 H new ATOM 0 HG3 LYS A 604 11.862 0.228 1.976 1.00 75.44 H new ATOM 0 HD2 LYS A 604 13.768 0.200 3.346 1.00 20.13 H new ATOM 0 HD3 LYS A 604 12.753 -1.034 4.066 1.00 20.13 H new ATOM 0 HE2 LYS A 604 14.020 -2.696 2.492 1.00 63.03 H new ATOM 0 HE3 LYS A 604 15.186 -1.402 2.298 1.00 63.03 H new ATOM 0 HZ1 LYS A 604 15.820 -2.892 4.081 1.00 23.32 H new ATOM 0 HZ2 LYS A 604 15.488 -1.349 4.706 1.00 23.32 H new ATOM 0 HZ3 LYS A 604 14.359 -2.603 4.894 1.00 23.32 H new ATOM 667 N MET A 605 11.979 -2.701 -0.920 1.00 52.42 N ATOM 668 CA MET A 605 12.782 -2.641 -2.136 1.00 20.32 C ATOM 669 C MET A 605 11.896 -2.681 -3.376 1.00 13.51 C ATOM 670 O MET A 605 12.229 -2.099 -4.408 1.00 32.32 O ATOM 671 CB MET A 605 13.782 -3.799 -2.170 1.00 74.30 C ATOM 672 CG MET A 605 13.138 -5.149 -2.441 1.00 13.15 C ATOM 673 SD MET A 605 14.344 -6.486 -2.541 1.00 73.43 S ATOM 674 CE MET A 605 14.302 -6.850 -4.294 1.00 54.13 C ATOM 0 H MET A 605 12.027 -3.593 -0.427 1.00 52.42 H new ATOM 0 HA MET A 605 13.329 -1.698 -2.134 1.00 20.32 H new ATOM 0 HB2 MET A 605 14.529 -3.601 -2.939 1.00 74.30 H new ATOM 0 HB3 MET A 605 14.309 -3.842 -1.217 1.00 74.30 H new ATOM 0 HG2 MET A 605 12.421 -5.370 -1.651 1.00 13.15 H new ATOM 0 HG3 MET A 605 12.578 -5.099 -3.375 1.00 13.15 H new ATOM 0 HE1 MET A 605 14.998 -7.659 -4.514 1.00 54.13 H new ATOM 0 HE2 MET A 605 13.294 -7.151 -4.579 1.00 54.13 H new ATOM 0 HE3 MET A 605 14.589 -5.962 -4.857 1.00 54.13 H new ATOM 682 N ARG A 606 10.766 -3.373 -3.268 1.00 1.25 N ATOM 683 CA ARG A 606 9.833 -3.490 -4.382 1.00 3.14 C ATOM 684 C ARG A 606 9.052 -2.194 -4.578 1.00 65.25 C ATOM 685 O ARG A 606 8.822 -1.760 -5.706 1.00 41.41 O ATOM 686 CB ARG A 606 8.864 -4.650 -4.144 1.00 1.51 C ATOM 687 CG ARG A 606 7.651 -4.628 -5.060 1.00 63.23 C ATOM 688 CD ARG A 606 8.057 -4.661 -6.524 1.00 21.32 C ATOM 689 NE ARG A 606 8.757 -5.895 -6.871 1.00 61.42 N ATOM 690 CZ ARG A 606 9.306 -6.119 -8.060 1.00 42.03 C ATOM 691 NH1 ARG A 606 9.238 -5.197 -9.010 1.00 31.11 N ATOM 692 NH2 ARG A 606 9.927 -7.268 -8.299 1.00 72.23 N ATOM 0 H ARG A 606 10.475 -3.861 -2.421 1.00 1.25 H new ATOM 0 HA ARG A 606 10.410 -3.686 -5.286 1.00 3.14 H new ATOM 0 HB2 ARG A 606 9.396 -5.591 -4.282 1.00 1.51 H new ATOM 0 HB3 ARG A 606 8.527 -4.624 -3.108 1.00 1.51 H new ATOM 0 HG2 ARG A 606 7.012 -5.483 -4.839 1.00 63.23 H new ATOM 0 HG3 ARG A 606 7.063 -3.731 -4.865 1.00 63.23 H new ATOM 0 HD2 ARG A 606 7.169 -4.560 -7.149 1.00 21.32 H new ATOM 0 HD3 ARG A 606 8.699 -3.807 -6.741 1.00 21.32 H new ATOM 0 HE ARG A 606 8.828 -6.625 -6.162 1.00 61.42 H new ATOM 0 HH11 ARG A 606 8.763 -4.313 -8.829 1.00 31.11 H new ATOM 0 HH12 ARG A 606 9.661 -5.372 -9.922 1.00 31.11 H new ATOM 0 HH21 ARG A 606 9.983 -7.979 -7.570 1.00 72.23 H new ATOM 0 HH22 ARG A 606 10.348 -7.440 -9.212 1.00 72.23 H new ATOM 703 N ALA A 607 8.649 -1.580 -3.469 1.00 32.31 N ATOM 704 CA ALA A 607 7.897 -0.332 -3.518 1.00 12.31 C ATOM 705 C ALA A 607 8.830 0.868 -3.628 1.00 44.11 C ATOM 706 O ALA A 607 8.876 1.540 -4.658 1.00 3.13 O ATOM 707 CB ALA A 607 7.009 -0.203 -2.289 1.00 1.20 C ATOM 0 H ALA A 607 8.831 -1.927 -2.527 1.00 32.31 H new ATOM 0 HA ALA A 607 7.267 -0.351 -4.407 1.00 12.31 H new ATOM 0 HB1 ALA A 607 6.453 0.733 -2.338 1.00 1.20 H new ATOM 0 HB2 ALA A 607 6.310 -1.039 -2.256 1.00 1.20 H new ATOM 0 HB3 ALA A 607 7.627 -0.211 -1.391 1.00 1.20 H new ATOM 713 N PHE A 608 9.572 1.134 -2.557 1.00 4.43 N ATOM 714 CA PHE A 608 10.504 2.255 -2.533 1.00 61.44 C ATOM 715 C PHE A 608 11.711 1.979 -3.424 1.00 70.15 C ATOM 716 O PHE A 608 12.395 0.968 -3.265 1.00 12.22 O ATOM 717 CB PHE A 608 10.966 2.530 -1.100 1.00 73.01 C ATOM 718 CG PHE A 608 9.844 2.877 -0.164 1.00 54.21 C ATOM 719 CD1 PHE A 608 9.053 1.883 0.389 1.00 63.10 C ATOM 720 CD2 PHE A 608 9.578 4.198 0.161 1.00 25.03 C ATOM 721 CE1 PHE A 608 8.019 2.199 1.251 1.00 0.12 C ATOM 722 CE2 PHE A 608 8.547 4.519 1.023 1.00 14.51 C ATOM 723 CZ PHE A 608 7.766 3.519 1.567 1.00 53.50 C ATOM 0 H PHE A 608 9.546 0.589 -1.695 1.00 4.43 H new ATOM 0 HA PHE A 608 9.986 3.134 -2.916 1.00 61.44 H new ATOM 0 HB2 PHE A 608 11.487 1.651 -0.720 1.00 73.01 H new ATOM 0 HB3 PHE A 608 11.686 3.348 -1.110 1.00 73.01 H new ATOM 0 HD1 PHE A 608 9.246 0.849 0.144 1.00 63.10 H new ATOM 0 HD2 PHE A 608 10.183 4.985 -0.264 1.00 25.03 H new ATOM 0 HE1 PHE A 608 7.410 1.415 1.676 1.00 0.12 H new ATOM 0 HE2 PHE A 608 8.352 5.552 1.271 1.00 14.51 H new ATOM 0 HZ PHE A 608 6.958 3.769 2.239 1.00 53.50 H new ATOM 828 N TYR A 616 11.196 -1.422 7.978 1.00 73.24 N ATOM 829 CA TYR A 616 9.964 -1.988 7.441 1.00 24.14 C ATOM 830 C TYR A 616 8.749 -1.486 8.215 1.00 22.22 C ATOM 831 O TYR A 616 7.619 -1.896 7.954 1.00 12.15 O ATOM 832 CB TYR A 616 10.018 -3.516 7.490 1.00 2.12 C ATOM 833 CG TYR A 616 10.375 -4.067 8.852 1.00 34.24 C ATOM 834 CD1 TYR A 616 9.491 -3.961 9.919 1.00 20.25 C ATOM 835 CD2 TYR A 616 11.597 -4.690 9.071 1.00 64.15 C ATOM 836 CE1 TYR A 616 9.815 -4.462 11.166 1.00 11.44 C ATOM 837 CE2 TYR A 616 11.927 -5.195 10.314 1.00 65.13 C ATOM 838 CZ TYR A 616 11.034 -5.078 11.358 1.00 52.41 C ATOM 839 OH TYR A 616 11.359 -5.579 12.598 1.00 30.01 O ATOM 0 HA TYR A 616 9.868 -1.666 6.404 1.00 24.14 H new ATOM 0 HB2 TYR A 616 9.049 -3.915 7.189 1.00 2.12 H new ATOM 0 HB3 TYR A 616 10.749 -3.869 6.762 1.00 2.12 H new ATOM 0 HD1 TYR A 616 8.536 -3.480 9.772 1.00 20.25 H new ATOM 0 HD2 TYR A 616 12.300 -4.781 8.257 1.00 64.15 H new ATOM 0 HE1 TYR A 616 9.117 -4.372 11.985 1.00 11.44 H new ATOM 0 HE2 TYR A 616 12.880 -5.679 10.467 1.00 65.13 H new ATOM 0 HH TYR A 616 12.252 -5.982 12.564 1.00 30.01 H new ATOM 848 N VAL A 617 8.992 -0.593 9.169 1.00 62.11 N ATOM 849 CA VAL A 617 7.919 -0.032 9.981 1.00 65.42 C ATOM 850 C VAL A 617 7.072 0.945 9.173 1.00 64.34 C ATOM 851 O VAL A 617 5.868 1.069 9.395 1.00 1.32 O ATOM 852 CB VAL A 617 8.475 0.692 11.222 1.00 75.14 C ATOM 853 CG1 VAL A 617 9.351 1.865 10.809 1.00 44.15 C ATOM 854 CG2 VAL A 617 7.339 1.155 12.121 1.00 50.24 C ATOM 0 H VAL A 617 9.922 -0.243 9.398 1.00 62.11 H new ATOM 0 HA VAL A 617 7.297 -0.866 10.304 1.00 65.42 H new ATOM 0 HB VAL A 617 9.091 -0.009 11.785 1.00 75.14 H new ATOM 0 HG11 VAL A 617 9.734 2.364 11.699 1.00 44.15 H new ATOM 0 HG12 VAL A 617 10.185 1.502 10.208 1.00 44.15 H new ATOM 0 HG13 VAL A 617 8.762 2.570 10.223 1.00 44.15 H new ATOM 0 HG21 VAL A 617 7.749 1.664 12.993 1.00 50.24 H new ATOM 0 HG22 VAL A 617 6.695 1.840 11.570 1.00 50.24 H new ATOM 0 HG23 VAL A 617 6.757 0.292 12.445 1.00 50.24 H new ATOM 864 N ASP A 618 7.710 1.637 8.236 1.00 22.51 N ATOM 865 CA ASP A 618 7.015 2.603 7.393 1.00 0.02 C ATOM 866 C ASP A 618 6.127 1.895 6.375 1.00 33.41 C ATOM 867 O ASP A 618 4.945 2.214 6.238 1.00 42.41 O ATOM 868 CB ASP A 618 8.022 3.501 6.673 1.00 31.45 C ATOM 869 CG ASP A 618 7.823 4.969 6.997 1.00 35.22 C ATOM 870 OD1 ASP A 618 7.503 5.282 8.162 1.00 52.43 O ATOM 871 OD2 ASP A 618 7.990 5.805 6.084 1.00 44.11 O ATOM 0 H ASP A 618 8.707 1.547 8.041 1.00 22.51 H new ATOM 0 HA ASP A 618 6.384 3.219 8.033 1.00 0.02 H new ATOM 0 HB2 ASP A 618 9.033 3.204 6.951 1.00 31.45 H new ATOM 0 HB3 ASP A 618 7.931 3.354 5.597 1.00 31.45 H new ATOM 875 N LEU A 619 6.704 0.934 5.661 1.00 53.44 N ATOM 876 CA LEU A 619 5.964 0.182 4.653 1.00 44.24 C ATOM 877 C LEU A 619 4.827 -0.610 5.291 1.00 24.13 C ATOM 878 O LEU A 619 3.732 -0.702 4.736 1.00 20.52 O ATOM 879 CB LEU A 619 6.904 -0.766 3.906 1.00 2.31 C ATOM 880 CG LEU A 619 7.312 -2.036 4.653 1.00 73.35 C ATOM 881 CD1 LEU A 619 6.309 -3.151 4.399 1.00 33.12 C ATOM 882 CD2 LEU A 619 8.711 -2.471 4.243 1.00 32.03 C ATOM 0 H LEU A 619 7.681 0.657 5.761 1.00 53.44 H new ATOM 0 HA LEU A 619 5.535 0.892 3.946 1.00 44.24 H new ATOM 0 HB2 LEU A 619 6.426 -1.057 2.971 1.00 2.31 H new ATOM 0 HB3 LEU A 619 7.808 -0.217 3.644 1.00 2.31 H new ATOM 0 HG LEU A 619 7.320 -1.819 5.721 1.00 73.35 H new ATOM 0 HD11 LEU A 619 6.616 -4.047 4.939 1.00 33.12 H new ATOM 0 HD12 LEU A 619 5.323 -2.839 4.744 1.00 33.12 H new ATOM 0 HD13 LEU A 619 6.268 -3.367 3.331 1.00 33.12 H new ATOM 0 HD21 LEU A 619 8.984 -3.376 4.785 1.00 32.03 H new ATOM 0 HD22 LEU A 619 8.731 -2.670 3.171 1.00 32.03 H new ATOM 0 HD23 LEU A 619 9.422 -1.679 4.478 1.00 32.03 H new ATOM 893 N LYS A 620 5.094 -1.181 6.461 1.00 13.42 N ATOM 894 CA LYS A 620 4.093 -1.963 7.177 1.00 72.01 C ATOM 895 C LYS A 620 3.015 -1.058 7.766 1.00 13.22 C ATOM 896 O LYS A 620 1.851 -1.447 7.866 1.00 21.34 O ATOM 897 CB LYS A 620 4.754 -2.778 8.292 1.00 14.13 C ATOM 898 CG LYS A 620 4.992 -1.985 9.565 1.00 42.51 C ATOM 899 CD LYS A 620 5.670 -2.833 10.629 1.00 75.23 C ATOM 900 CE LYS A 620 4.822 -4.036 11.008 1.00 40.13 C ATOM 901 NZ LYS A 620 3.488 -3.631 11.533 1.00 13.34 N ATOM 0 H LYS A 620 5.996 -1.117 6.934 1.00 13.42 H new ATOM 0 HA LYS A 620 3.624 -2.644 6.467 1.00 72.01 H new ATOM 0 HB2 LYS A 620 4.127 -3.639 8.522 1.00 14.13 H new ATOM 0 HB3 LYS A 620 5.707 -3.165 7.932 1.00 14.13 H new ATOM 0 HG2 LYS A 620 5.610 -1.115 9.343 1.00 42.51 H new ATOM 0 HG3 LYS A 620 4.041 -1.612 9.946 1.00 42.51 H new ATOM 0 HD2 LYS A 620 6.639 -3.171 10.263 1.00 75.23 H new ATOM 0 HD3 LYS A 620 5.858 -2.226 11.514 1.00 75.23 H new ATOM 0 HE2 LYS A 620 4.690 -4.676 10.136 1.00 40.13 H new ATOM 0 HE3 LYS A 620 5.345 -4.626 11.761 1.00 40.13 H new ATOM 0 HZ1 LYS A 620 3.021 -4.453 11.966 1.00 13.34 H new ATOM 0 HZ2 LYS A 620 3.608 -2.885 12.247 1.00 13.34 H new ATOM 0 HZ3 LYS A 620 2.902 -3.272 10.752 1.00 13.34 H new ATOM 911 N ASP A 621 3.409 0.150 8.153 1.00 24.34 N ATOM 912 CA ASP A 621 2.476 1.111 8.730 1.00 24.11 C ATOM 913 C ASP A 621 1.529 1.654 7.665 1.00 51.44 C ATOM 914 O ASP A 621 0.358 1.918 7.938 1.00 13.41 O ATOM 915 CB ASP A 621 3.239 2.263 9.386 1.00 71.43 C ATOM 916 CG ASP A 621 3.631 1.956 10.818 1.00 74.15 C ATOM 917 OD1 ASP A 621 2.879 1.224 11.494 1.00 45.22 O ATOM 918 OD2 ASP A 621 4.688 2.449 11.264 1.00 32.32 O ATOM 0 H ASP A 621 4.369 0.487 8.078 1.00 24.34 H new ATOM 0 HA ASP A 621 1.886 0.597 9.489 1.00 24.11 H new ATOM 0 HB2 ASP A 621 4.136 2.479 8.805 1.00 71.43 H new ATOM 0 HB3 ASP A 621 2.622 3.162 9.366 1.00 71.43 H new ATOM 922 N LYS A 622 2.042 1.819 6.451 1.00 21.00 N ATOM 923 CA LYS A 622 1.243 2.329 5.344 1.00 40.13 C ATOM 924 C LYS A 622 0.197 1.306 4.911 1.00 14.15 C ATOM 925 O LYS A 622 -0.933 1.663 4.580 1.00 12.30 O ATOM 926 CB LYS A 622 2.143 2.687 4.159 1.00 63.12 C ATOM 927 CG LYS A 622 1.626 3.852 3.332 1.00 43.11 C ATOM 928 CD LYS A 622 2.417 4.015 2.045 1.00 60.03 C ATOM 929 CE LYS A 622 3.866 4.382 2.325 1.00 5.14 C ATOM 930 NZ LYS A 622 4.486 5.107 1.180 1.00 51.13 N ATOM 0 H LYS A 622 3.010 1.606 6.209 1.00 21.00 H new ATOM 0 HA LYS A 622 0.728 3.227 5.685 1.00 40.13 H new ATOM 0 HB2 LYS A 622 3.139 2.930 4.530 1.00 63.12 H new ATOM 0 HB3 LYS A 622 2.247 1.813 3.515 1.00 63.12 H new ATOM 0 HG2 LYS A 622 0.574 3.694 3.096 1.00 43.11 H new ATOM 0 HG3 LYS A 622 1.687 4.770 3.917 1.00 43.11 H new ATOM 0 HD2 LYS A 622 2.379 3.088 1.473 1.00 60.03 H new ATOM 0 HD3 LYS A 622 1.957 4.788 1.429 1.00 60.03 H new ATOM 0 HE2 LYS A 622 3.917 5.004 3.219 1.00 5.14 H new ATOM 0 HE3 LYS A 622 4.436 3.477 2.533 1.00 5.14 H new ATOM 0 HZ1 LYS A 622 5.473 5.339 1.410 1.00 51.13 H new ATOM 0 HZ2 LYS A 622 4.460 4.504 0.333 1.00 51.13 H new ATOM 0 HZ3 LYS A 622 3.957 5.984 0.997 1.00 51.13 H new ATOM 940 N TRP A 623 0.582 0.036 4.916 1.00 1.31 N ATOM 941 CA TRP A 623 -0.323 -1.039 4.524 1.00 60.32 C ATOM 942 C TRP A 623 -1.503 -1.134 5.486 1.00 1.14 C ATOM 943 O TRP A 623 -2.660 -1.144 5.065 1.00 62.34 O ATOM 944 CB TRP A 623 0.424 -2.373 4.481 1.00 75.52 C ATOM 945 CG TRP A 623 -0.434 -3.546 4.845 1.00 14.45 C ATOM 946 CD1 TRP A 623 -1.586 -3.942 4.226 1.00 4.14 C ATOM 947 CD2 TRP A 623 -0.210 -4.475 5.911 1.00 35.02 C ATOM 948 NE1 TRP A 623 -2.090 -5.061 4.843 1.00 53.04 N ATOM 949 CE2 TRP A 623 -1.265 -5.408 5.880 1.00 31.21 C ATOM 950 CE3 TRP A 623 0.780 -4.609 6.888 1.00 2.01 C ATOM 951 CZ2 TRP A 623 -1.356 -6.458 6.789 1.00 24.42 C ATOM 952 CZ3 TRP A 623 0.688 -5.652 7.789 1.00 45.21 C ATOM 953 CH2 TRP A 623 -0.373 -6.566 7.735 1.00 61.32 C ATOM 0 H TRP A 623 1.515 -0.276 5.187 1.00 1.31 H new ATOM 0 HA TRP A 623 -0.706 -0.813 3.529 1.00 60.32 H new ATOM 0 HB2 TRP A 623 0.827 -2.524 3.479 1.00 75.52 H new ATOM 0 HB3 TRP A 623 1.273 -2.328 5.163 1.00 75.52 H new ATOM 0 HD1 TRP A 623 -2.034 -3.448 3.377 1.00 4.14 H new ATOM 0 HE1 TRP A 623 -2.941 -5.554 4.573 1.00 53.04 H new ATOM 0 HE3 TRP A 623 1.602 -3.910 6.938 1.00 2.01 H new ATOM 0 HZ2 TRP A 623 -2.173 -7.163 6.749 1.00 24.42 H new ATOM 0 HZ3 TRP A 623 1.447 -5.765 8.549 1.00 45.21 H new ATOM 0 HH2 TRP A 623 -0.416 -7.371 8.454 1.00 61.32 H new ATOM 963 N LYS A 624 -1.203 -1.204 6.778 1.00 45.44 N ATOM 964 CA LYS A 624 -2.239 -1.297 7.801 1.00 23.31 C ATOM 965 C LYS A 624 -3.273 -0.190 7.629 1.00 2.32 C ATOM 966 O LYS A 624 -4.470 -0.456 7.511 1.00 45.25 O ATOM 967 CB LYS A 624 -1.616 -1.216 9.196 1.00 22.40 C ATOM 968 CG LYS A 624 -2.307 -2.094 10.223 1.00 41.34 C ATOM 969 CD LYS A 624 -3.636 -1.501 10.660 1.00 22.21 C ATOM 970 CE LYS A 624 -3.437 -0.298 11.569 1.00 34.20 C ATOM 971 NZ LYS A 624 -4.389 0.803 11.248 1.00 3.54 N ATOM 0 H LYS A 624 -0.250 -1.198 7.142 1.00 45.44 H new ATOM 0 HA LYS A 624 -2.740 -2.259 7.689 1.00 23.31 H new ATOM 0 HB2 LYS A 624 -0.566 -1.503 9.133 1.00 22.40 H new ATOM 0 HB3 LYS A 624 -1.644 -0.181 9.538 1.00 22.40 H new ATOM 0 HG2 LYS A 624 -2.471 -3.086 9.803 1.00 41.34 H new ATOM 0 HG3 LYS A 624 -1.660 -2.218 11.091 1.00 41.34 H new ATOM 0 HD2 LYS A 624 -4.210 -1.204 9.782 1.00 22.21 H new ATOM 0 HD3 LYS A 624 -4.220 -2.259 11.181 1.00 22.21 H new ATOM 0 HE2 LYS A 624 -3.569 -0.602 12.607 1.00 34.20 H new ATOM 0 HE3 LYS A 624 -2.414 0.066 11.471 1.00 34.20 H new ATOM 0 HZ1 LYS A 624 -4.222 1.605 11.889 1.00 3.54 H new ATOM 0 HZ2 LYS A 624 -4.246 1.110 10.265 1.00 3.54 H new ATOM 0 HZ3 LYS A 624 -5.365 0.463 11.366 1.00 3.54 H new ATOM 981 N THR A 625 -2.805 1.054 7.613 1.00 11.01 N ATOM 982 CA THR A 625 -3.691 2.202 7.456 1.00 24.55 C ATOM 983 C THR A 625 -4.421 2.152 6.118 1.00 72.34 C ATOM 984 O THR A 625 -5.546 2.640 5.996 1.00 4.21 O ATOM 985 CB THR A 625 -2.912 3.528 7.555 1.00 15.23 C ATOM 986 OG1 THR A 625 -3.822 4.634 7.512 1.00 43.33 O ATOM 987 CG2 THR A 625 -1.904 3.650 6.422 1.00 13.12 C ATOM 0 H THR A 625 -1.818 1.293 7.707 1.00 11.01 H new ATOM 0 HA THR A 625 -4.419 2.155 8.266 1.00 24.55 H new ATOM 0 HB THR A 625 -2.372 3.537 8.502 1.00 15.23 H new ATOM 0 HG1 THR A 625 -3.320 5.473 7.577 1.00 43.33 H new ATOM 0 HG21 THR A 625 -1.367 4.594 6.513 1.00 13.12 H new ATOM 0 HG22 THR A 625 -1.196 2.823 6.474 1.00 13.12 H new ATOM 0 HG23 THR A 625 -2.426 3.621 5.466 1.00 13.12 H new ATOM 995 N LEU A 626 -3.776 1.562 5.119 1.00 4.33 N ATOM 996 CA LEU A 626 -4.366 1.448 3.790 1.00 33.02 C ATOM 997 C LEU A 626 -5.669 0.658 3.838 1.00 3.55 C ATOM 998 O LEU A 626 -6.709 1.126 3.374 1.00 10.15 O ATOM 999 CB LEU A 626 -3.383 0.775 2.830 1.00 74.30 C ATOM 1000 CG LEU A 626 -2.946 1.608 1.624 1.00 30.52 C ATOM 1001 CD1 LEU A 626 -1.604 1.122 1.098 1.00 42.21 C ATOM 1002 CD2 LEU A 626 -4.001 1.555 0.529 1.00 75.51 C ATOM 0 H LEU A 626 -2.845 1.155 5.203 1.00 4.33 H new ATOM 0 HA LEU A 626 -4.586 2.453 3.430 1.00 33.02 H new ATOM 0 HB2 LEU A 626 -2.493 0.492 3.392 1.00 74.30 H new ATOM 0 HB3 LEU A 626 -3.836 -0.147 2.465 1.00 74.30 H new ATOM 0 HG LEU A 626 -2.834 2.644 1.943 1.00 30.52 H new ATOM 0 HD11 LEU A 626 -1.309 1.726 0.240 1.00 42.21 H new ATOM 0 HD12 LEU A 626 -0.852 1.213 1.882 1.00 42.21 H new ATOM 0 HD13 LEU A 626 -1.688 0.078 0.795 1.00 42.21 H new ATOM 0 HD21 LEU A 626 -3.673 2.153 -0.321 1.00 75.51 H new ATOM 0 HD22 LEU A 626 -4.145 0.522 0.212 1.00 75.51 H new ATOM 0 HD23 LEU A 626 -4.942 1.952 0.911 1.00 75.51 H new ATOM 1013 N VAL A 627 -5.607 -0.543 4.404 1.00 24.20 N ATOM 1014 CA VAL A 627 -6.782 -1.399 4.516 1.00 72.13 C ATOM 1015 C VAL A 627 -7.907 -0.691 5.263 1.00 35.43 C ATOM 1016 O VAL A 627 -9.038 -0.622 4.782 1.00 55.51 O ATOM 1017 CB VAL A 627 -6.451 -2.717 5.241 1.00 70.51 C ATOM 1018 CG1 VAL A 627 -7.714 -3.533 5.468 1.00 24.05 C ATOM 1019 CG2 VAL A 627 -5.424 -3.515 4.452 1.00 33.54 C ATOM 0 H VAL A 627 -4.754 -0.946 4.793 1.00 24.20 H new ATOM 0 HA VAL A 627 -7.107 -1.624 3.500 1.00 72.13 H new ATOM 0 HB VAL A 627 -6.022 -2.479 6.214 1.00 70.51 H new ATOM 0 HG11 VAL A 627 -7.461 -4.461 5.981 1.00 24.05 H new ATOM 0 HG12 VAL A 627 -8.413 -2.960 6.078 1.00 24.05 H new ATOM 0 HG13 VAL A 627 -8.175 -3.764 4.508 1.00 24.05 H new ATOM 0 HG21 VAL A 627 -5.202 -4.443 4.979 1.00 33.54 H new ATOM 0 HG22 VAL A 627 -5.823 -3.745 3.464 1.00 33.54 H new ATOM 0 HG23 VAL A 627 -4.511 -2.930 4.347 1.00 33.54 H new ATOM 1029 N HIS A 628 -7.589 -0.163 6.440 1.00 22.41 N ATOM 1030 CA HIS A 628 -8.573 0.542 7.254 1.00 54.11 C ATOM 1031 C HIS A 628 -9.248 1.650 6.451 1.00 35.30 C ATOM 1032 O HIS A 628 -10.395 2.014 6.714 1.00 65.34 O ATOM 1033 CB HIS A 628 -7.910 1.130 8.500 1.00 32.45 C ATOM 1034 CG HIS A 628 -7.702 0.131 9.596 1.00 1.40 C ATOM 1035 ND1 HIS A 628 -8.295 0.241 10.836 1.00 3.12 N ATOM 1036 CD2 HIS A 628 -6.964 -1.003 9.632 1.00 71.44 C ATOM 1037 CE1 HIS A 628 -7.929 -0.782 11.588 1.00 60.52 C ATOM 1038 NE2 HIS A 628 -7.121 -1.551 10.881 1.00 22.22 N ATOM 0 H HIS A 628 -6.657 -0.210 6.852 1.00 22.41 H new ATOM 0 HA HIS A 628 -9.334 -0.175 7.562 1.00 54.11 H new ATOM 0 HB2 HIS A 628 -6.947 1.557 8.221 1.00 32.45 H new ATOM 0 HB3 HIS A 628 -8.524 1.948 8.877 1.00 32.45 H new ATOM 0 HD2 HIS A 628 -6.364 -1.402 8.828 1.00 71.44 H new ATOM 0 HE1 HIS A 628 -8.238 -0.959 12.608 1.00 60.52 H new ATOM 0 HE2 HIS A 628 -6.684 -2.412 11.210 1.00 22.22 H new ATOM 1045 N THR A 629 -8.528 2.186 5.470 1.00 1.03 N ATOM 1046 CA THR A 629 -9.055 3.254 4.630 1.00 32.31 C ATOM 1047 C THR A 629 -9.987 2.701 3.558 1.00 53.04 C ATOM 1048 O THR A 629 -10.918 3.379 3.123 1.00 5.50 O ATOM 1049 CB THR A 629 -7.922 4.045 3.950 1.00 31.21 C ATOM 1050 OG1 THR A 629 -7.207 4.814 4.924 1.00 2.35 O ATOM 1051 CG2 THR A 629 -8.476 4.969 2.875 1.00 70.32 C ATOM 0 H THR A 629 -7.578 1.897 5.238 1.00 1.03 H new ATOM 0 HA THR A 629 -9.614 3.923 5.284 1.00 32.31 H new ATOM 0 HB THR A 629 -7.243 3.333 3.481 1.00 31.21 H new ATOM 0 HG1 THR A 629 -6.580 4.233 5.403 1.00 2.35 H new ATOM 0 HG21 THR A 629 -7.657 5.517 2.409 1.00 70.32 H new ATOM 0 HG22 THR A 629 -8.994 4.379 2.119 1.00 70.32 H new ATOM 0 HG23 THR A 629 -9.174 5.674 3.326 1.00 70.32 H new ATOM 1059 N ALA A 630 -9.732 1.466 3.138 1.00 53.23 N ATOM 1060 CA ALA A 630 -10.552 0.822 2.118 1.00 61.14 C ATOM 1061 C ALA A 630 -12.023 0.817 2.520 1.00 21.01 C ATOM 1062 O ALA A 630 -12.891 1.197 1.734 1.00 52.10 O ATOM 1063 CB ALA A 630 -10.065 -0.599 1.871 1.00 71.43 C ATOM 0 H ALA A 630 -8.965 0.892 3.488 1.00 53.23 H new ATOM 0 HA ALA A 630 -10.457 1.393 1.195 1.00 61.14 H new ATOM 0 HB1 ALA A 630 -10.685 -1.069 1.108 1.00 71.43 H new ATOM 0 HB2 ALA A 630 -9.029 -0.575 1.533 1.00 71.43 H new ATOM 0 HB3 ALA A 630 -10.131 -1.172 2.796 1.00 71.43 H new ATOM 1069 N SER A 631 -12.295 0.383 3.746 1.00 15.41 N ATOM 1070 CA SER A 631 -13.663 0.324 4.250 1.00 13.45 C ATOM 1071 C SER A 631 -13.712 -0.360 5.612 1.00 23.11 C ATOM 1072 O SER A 631 -14.206 -1.481 5.739 1.00 2.04 O ATOM 1073 CB SER A 631 -14.562 -0.421 3.260 1.00 61.31 C ATOM 1074 OG SER A 631 -15.787 -0.796 3.866 1.00 21.10 O ATOM 0 H SER A 631 -11.587 0.067 4.409 1.00 15.41 H new ATOM 0 HA SER A 631 -14.026 1.345 4.363 1.00 13.45 H new ATOM 0 HB2 SER A 631 -14.759 0.213 2.395 1.00 61.31 H new ATOM 0 HB3 SER A 631 -14.047 -1.309 2.894 1.00 61.31 H new ATOM 0 HG SER A 631 -15.608 -1.381 4.632 1.00 21.10 H new ATOM 1079 N ILE A 632 -13.196 0.322 6.628 1.00 33.10 N ATOM 1080 CA ILE A 632 -13.181 -0.218 7.982 1.00 3.03 C ATOM 1081 C ILE A 632 -13.849 0.738 8.963 1.00 55.22 C ATOM 1082 O ILE A 632 -14.895 0.427 9.535 1.00 21.25 O ATOM 1083 CB ILE A 632 -11.745 -0.503 8.459 1.00 23.43 C ATOM 1084 CG1 ILE A 632 -11.246 -1.830 7.882 1.00 22.50 C ATOM 1085 CG2 ILE A 632 -11.685 -0.523 9.978 1.00 62.41 C ATOM 1086 CD1 ILE A 632 -11.097 -1.817 6.377 1.00 51.02 C ATOM 0 H ILE A 632 -12.782 1.250 6.540 1.00 33.10 H new ATOM 0 HA ILE A 632 -13.739 -1.154 7.954 1.00 3.03 H new ATOM 0 HB ILE A 632 -11.094 0.295 8.101 1.00 23.43 H new ATOM 0 HG12 ILE A 632 -10.284 -2.073 8.332 1.00 22.50 H new ATOM 0 HG13 ILE A 632 -11.939 -2.623 8.163 1.00 22.50 H new ATOM 0 HG21 ILE A 632 -10.663 -0.726 10.299 1.00 62.41 H new ATOM 0 HG22 ILE A 632 -12.003 0.444 10.367 1.00 62.41 H new ATOM 0 HG23 ILE A 632 -12.346 -1.302 10.358 1.00 62.41 H new ATOM 0 HD11 ILE A 632 -10.740 -2.790 6.038 1.00 51.02 H new ATOM 0 HD12 ILE A 632 -12.062 -1.605 5.918 1.00 51.02 H new ATOM 0 HD13 ILE A 632 -10.381 -1.047 6.089 1.00 51.02 H new ATOM 1097 N ALA A 633 -13.242 1.904 9.153 1.00 22.43 N ATOM 1098 CA ALA A 633 -13.779 2.908 10.062 1.00 74.01 C ATOM 1099 C ALA A 633 -14.490 4.018 9.296 1.00 33.02 C ATOM 1100 O ALA A 633 -14.209 4.275 8.124 1.00 52.13 O ATOM 1101 CB ALA A 633 -12.670 3.488 10.926 1.00 70.33 C ATOM 0 H ALA A 633 -12.376 2.177 8.688 1.00 22.43 H new ATOM 0 HA ALA A 633 -14.510 2.422 10.708 1.00 74.01 H new ATOM 0 HB1 ALA A 633 -13.087 4.236 11.600 1.00 70.33 H new ATOM 0 HB2 ALA A 633 -12.209 2.691 11.510 1.00 70.33 H new ATOM 0 HB3 ALA A 633 -11.918 3.953 10.289 1.00 70.33 H new ATOM 1210 N PRO A 641 -7.943 12.435 -1.087 1.00 30.25 N ATOM 1211 CA PRO A 641 -8.041 11.651 -2.322 1.00 73.12 C ATOM 1212 C PRO A 641 -7.339 10.303 -2.210 1.00 11.11 C ATOM 1213 O PRO A 641 -6.135 10.237 -1.963 1.00 71.14 O ATOM 1214 CB PRO A 641 -7.343 12.535 -3.360 1.00 44.44 C ATOM 1215 CG PRO A 641 -6.400 13.374 -2.569 1.00 64.04 C ATOM 1216 CD PRO A 641 -7.069 13.610 -1.243 1.00 61.44 C ATOM 0 HA PRO A 641 -9.075 11.412 -2.572 1.00 73.12 H new ATOM 0 HB2 PRO A 641 -6.814 11.935 -4.100 1.00 44.44 H new ATOM 0 HB3 PRO A 641 -8.061 13.150 -3.903 1.00 44.44 H new ATOM 0 HG2 PRO A 641 -5.443 12.869 -2.439 1.00 64.04 H new ATOM 0 HG3 PRO A 641 -6.196 14.317 -3.077 1.00 64.04 H new ATOM 0 HD2 PRO A 641 -6.343 13.681 -0.433 1.00 61.44 H new ATOM 0 HD3 PRO A 641 -7.640 14.538 -1.241 1.00 61.44 H new ATOM 1221 N VAL A 642 -8.099 9.228 -2.396 1.00 61.04 N ATOM 1222 CA VAL A 642 -7.549 7.881 -2.317 1.00 4.53 C ATOM 1223 C VAL A 642 -8.033 7.021 -3.479 1.00 2.23 C ATOM 1224 O VAL A 642 -9.224 6.957 -3.783 1.00 42.11 O ATOM 1225 CB VAL A 642 -7.930 7.194 -0.992 1.00 15.30 C ATOM 1226 CG1 VAL A 642 -9.401 7.422 -0.677 1.00 62.12 C ATOM 1227 CG2 VAL A 642 -7.613 5.708 -1.051 1.00 42.41 C ATOM 0 H VAL A 642 -9.097 9.265 -2.602 1.00 61.04 H new ATOM 0 HA VAL A 642 -6.465 7.980 -2.367 1.00 4.53 H new ATOM 0 HB VAL A 642 -7.338 7.636 -0.190 1.00 15.30 H new ATOM 0 HG11 VAL A 642 -9.652 6.930 0.262 1.00 62.12 H new ATOM 0 HG12 VAL A 642 -9.593 8.491 -0.589 1.00 62.12 H new ATOM 0 HG13 VAL A 642 -10.013 7.009 -1.479 1.00 62.12 H new ATOM 0 HG21 VAL A 642 -7.889 5.239 -0.106 1.00 42.41 H new ATOM 0 HG22 VAL A 642 -8.177 5.248 -1.863 1.00 42.41 H new ATOM 0 HG23 VAL A 642 -6.546 5.570 -1.226 1.00 42.41 H new ATOM 1237 N PRO A 643 -7.088 6.341 -4.146 1.00 1.41 N ATOM 1238 CA PRO A 643 -7.394 5.471 -5.285 1.00 34.43 C ATOM 1239 C PRO A 643 -8.144 4.210 -4.867 1.00 32.14 C ATOM 1240 O PRO A 643 -7.717 3.496 -3.961 1.00 35.10 O ATOM 1241 CB PRO A 643 -6.013 5.113 -5.840 1.00 13.10 C ATOM 1242 CG PRO A 643 -5.091 5.252 -4.679 1.00 73.42 C ATOM 1243 CD PRO A 643 -5.648 6.369 -3.839 1.00 34.24 C ATOM 0 HA PRO A 643 -8.045 5.962 -6.009 1.00 34.43 H new ATOM 0 HB2 PRO A 643 -5.997 4.099 -6.239 1.00 13.10 H new ATOM 0 HB3 PRO A 643 -5.728 5.780 -6.654 1.00 13.10 H new ATOM 0 HG2 PRO A 643 -5.038 4.324 -4.109 1.00 73.42 H new ATOM 0 HG3 PRO A 643 -4.078 5.481 -5.010 1.00 73.42 H new ATOM 0 HD2 PRO A 643 -5.460 6.206 -2.778 1.00 34.24 H new ATOM 0 HD3 PRO A 643 -5.200 7.328 -4.098 1.00 34.24 H new ATOM 1248 N GLN A 644 -9.262 3.944 -5.535 1.00 50.11 N ATOM 1249 CA GLN A 644 -10.071 2.769 -5.231 1.00 21.34 C ATOM 1250 C GLN A 644 -9.361 1.492 -5.670 1.00 13.32 C ATOM 1251 O GLN A 644 -9.657 0.404 -5.176 1.00 62.43 O ATOM 1252 CB GLN A 644 -11.434 2.870 -5.916 1.00 32.04 C ATOM 1253 CG GLN A 644 -12.523 2.065 -5.228 1.00 62.02 C ATOM 1254 CD GLN A 644 -13.675 1.728 -6.154 1.00 74.20 C ATOM 1255 OE1 GLN A 644 -13.674 0.687 -6.812 1.00 54.32 O ATOM 1256 NE2 GLN A 644 -14.666 2.610 -6.211 1.00 64.32 N ATOM 0 H GLN A 644 -9.628 4.525 -6.289 1.00 50.11 H new ATOM 0 HA GLN A 644 -10.218 2.729 -4.152 1.00 21.34 H new ATOM 0 HB2 GLN A 644 -11.736 3.917 -5.952 1.00 32.04 H new ATOM 0 HB3 GLN A 644 -11.339 2.530 -6.947 1.00 32.04 H new ATOM 0 HG2 GLN A 644 -12.095 1.142 -4.837 1.00 62.02 H new ATOM 0 HG3 GLN A 644 -12.901 2.628 -4.375 1.00 62.02 H new ATOM 0 HE21 GLN A 644 -14.625 3.460 -5.648 1.00 64.32 H new ATOM 0 HE22 GLN A 644 -15.468 2.438 -6.818 1.00 64.32 H new ATOM 1263 N ASP A 645 -8.425 1.632 -6.604 1.00 45.32 N ATOM 1264 CA ASP A 645 -7.673 0.489 -7.110 1.00 43.24 C ATOM 1265 C ASP A 645 -6.751 -0.074 -6.033 1.00 31.12 C ATOM 1266 O ASP A 645 -6.575 -1.288 -5.923 1.00 31.25 O ATOM 1267 CB ASP A 645 -6.857 0.893 -8.339 1.00 41.22 C ATOM 1268 CG ASP A 645 -6.384 -0.305 -9.138 1.00 64.11 C ATOM 1269 OD1 ASP A 645 -7.116 -1.316 -9.181 1.00 70.20 O ATOM 1270 OD2 ASP A 645 -5.281 -0.233 -9.720 1.00 60.54 O ATOM 0 H ASP A 645 -8.169 2.525 -7.025 1.00 45.32 H new ATOM 0 HA ASP A 645 -8.384 -0.286 -7.395 1.00 43.24 H new ATOM 0 HB2 ASP A 645 -7.462 1.536 -8.978 1.00 41.22 H new ATOM 0 HB3 ASP A 645 -5.994 1.479 -8.022 1.00 41.22 H new ATOM 1274 N LEU A 646 -6.162 0.816 -5.242 1.00 44.23 N ATOM 1275 CA LEU A 646 -5.256 0.408 -4.173 1.00 22.40 C ATOM 1276 C LEU A 646 -6.030 -0.161 -2.989 1.00 73.22 C ATOM 1277 O LEU A 646 -5.634 -1.169 -2.401 1.00 14.10 O ATOM 1278 CB LEU A 646 -4.406 1.597 -3.718 1.00 5.12 C ATOM 1279 CG LEU A 646 -3.530 2.246 -4.790 1.00 13.23 C ATOM 1280 CD1 LEU A 646 -2.619 3.295 -4.172 1.00 31.12 C ATOM 1281 CD2 LEU A 646 -2.713 1.191 -5.522 1.00 2.22 C ATOM 0 H LEU A 646 -6.295 1.824 -5.320 1.00 44.23 H new ATOM 0 HA LEU A 646 -4.602 -0.372 -4.563 1.00 22.40 H new ATOM 0 HB2 LEU A 646 -5.071 2.359 -3.311 1.00 5.12 H new ATOM 0 HB3 LEU A 646 -3.763 1.267 -2.903 1.00 5.12 H new ATOM 0 HG LEU A 646 -4.180 2.740 -5.513 1.00 13.23 H new ATOM 0 HD11 LEU A 646 -2.003 3.746 -4.950 1.00 31.12 H new ATOM 0 HD12 LEU A 646 -3.224 4.066 -3.695 1.00 31.12 H new ATOM 0 HD13 LEU A 646 -1.976 2.826 -3.427 1.00 31.12 H new ATOM 0 HD21 LEU A 646 -2.096 1.671 -6.281 1.00 2.22 H new ATOM 0 HD22 LEU A 646 -2.073 0.668 -4.811 1.00 2.22 H new ATOM 0 HD23 LEU A 646 -3.384 0.477 -5.999 1.00 2.22 H new ATOM 1292 N LEU A 647 -7.137 0.489 -2.645 1.00 62.30 N ATOM 1293 CA LEU A 647 -7.969 0.046 -1.532 1.00 73.15 C ATOM 1294 C LEU A 647 -8.593 -1.314 -1.826 1.00 32.31 C ATOM 1295 O LEU A 647 -8.664 -2.177 -0.951 1.00 53.32 O ATOM 1296 CB LEU A 647 -9.067 1.074 -1.251 1.00 72.53 C ATOM 1297 CG LEU A 647 -8.596 2.436 -0.739 1.00 63.15 C ATOM 1298 CD1 LEU A 647 -9.787 3.312 -0.380 1.00 4.00 C ATOM 1299 CD2 LEU A 647 -7.676 2.266 0.462 1.00 12.20 C ATOM 0 H LEU A 647 -7.479 1.324 -3.121 1.00 62.30 H new ATOM 0 HA LEU A 647 -7.334 -0.050 -0.651 1.00 73.15 H new ATOM 0 HB2 LEU A 647 -9.635 1.230 -2.168 1.00 72.53 H new ATOM 0 HB3 LEU A 647 -9.754 0.651 -0.519 1.00 72.53 H new ATOM 0 HG LEU A 647 -8.035 2.927 -1.534 1.00 63.15 H new ATOM 0 HD11 LEU A 647 -9.433 4.277 -0.018 1.00 4.00 H new ATOM 0 HD12 LEU A 647 -10.408 3.462 -1.263 1.00 4.00 H new ATOM 0 HD13 LEU A 647 -10.375 2.826 0.398 1.00 4.00 H new ATOM 0 HD21 LEU A 647 -7.351 3.245 0.813 1.00 12.20 H new ATOM 0 HD22 LEU A 647 -8.212 1.754 1.261 1.00 12.20 H new ATOM 0 HD23 LEU A 647 -6.806 1.677 0.173 1.00 12.20 H new ATOM 1310 N ASP A 648 -9.041 -1.498 -3.063 1.00 50.44 N ATOM 1311 CA ASP A 648 -9.656 -2.755 -3.474 1.00 32.20 C ATOM 1312 C ASP A 648 -8.609 -3.856 -3.602 1.00 71.11 C ATOM 1313 O ASP A 648 -8.889 -5.027 -3.342 1.00 73.41 O ATOM 1314 CB ASP A 648 -10.392 -2.577 -4.802 1.00 33.14 C ATOM 1315 CG ASP A 648 -11.434 -3.652 -5.036 1.00 12.42 C ATOM 1316 OD1 ASP A 648 -11.420 -4.661 -4.301 1.00 53.33 O ATOM 1317 OD2 ASP A 648 -12.265 -3.486 -5.954 1.00 34.52 O ATOM 0 H ASP A 648 -8.990 -0.793 -3.798 1.00 50.44 H new ATOM 0 HA ASP A 648 -10.373 -3.048 -2.707 1.00 32.20 H new ATOM 0 HB2 ASP A 648 -10.873 -1.599 -4.819 1.00 33.14 H new ATOM 0 HB3 ASP A 648 -9.670 -2.591 -5.619 1.00 33.14 H new ATOM 1321 N ARG A 649 -7.402 -3.474 -4.005 1.00 21.44 N ATOM 1322 CA ARG A 649 -6.313 -4.429 -4.171 1.00 64.52 C ATOM 1323 C ARG A 649 -5.765 -4.868 -2.815 1.00 2.43 C ATOM 1324 O ARG A 649 -5.600 -6.061 -2.559 1.00 64.23 O ATOM 1325 CB ARG A 649 -5.191 -3.816 -5.012 1.00 42.45 C ATOM 1326 CG ARG A 649 -5.351 -4.052 -6.504 1.00 72.10 C ATOM 1327 CD ARG A 649 -4.003 -4.151 -7.200 1.00 32.32 C ATOM 1328 NE ARG A 649 -3.436 -5.493 -7.106 1.00 20.43 N ATOM 1329 CZ ARG A 649 -3.934 -6.547 -7.742 1.00 13.40 C ATOM 1330 NH1 ARG A 649 -5.005 -6.415 -8.513 1.00 34.34 N ATOM 1331 NH2 ARG A 649 -3.363 -7.737 -7.607 1.00 33.21 N ATOM 0 H ARG A 649 -7.153 -2.509 -4.223 1.00 21.44 H new ATOM 0 HA ARG A 649 -6.707 -5.305 -4.687 1.00 64.52 H new ATOM 0 HB2 ARG A 649 -5.152 -2.743 -4.824 1.00 42.45 H new ATOM 0 HB3 ARG A 649 -4.237 -4.231 -4.687 1.00 42.45 H new ATOM 0 HG2 ARG A 649 -5.916 -4.970 -6.670 1.00 72.10 H new ATOM 0 HG3 ARG A 649 -5.929 -3.238 -6.942 1.00 72.10 H new ATOM 0 HD2 ARG A 649 -4.116 -3.878 -8.249 1.00 32.32 H new ATOM 0 HD3 ARG A 649 -3.312 -3.434 -6.756 1.00 32.32 H new ATOM 0 HE ARG A 649 -2.612 -5.628 -6.520 1.00 20.43 H new ATOM 0 HH11 ARG A 649 -5.448 -5.502 -8.619 1.00 34.34 H new ATOM 0 HH12 ARG A 649 -5.386 -7.226 -9.000 1.00 34.34 H new ATOM 0 HH21 ARG A 649 -2.540 -7.843 -7.014 1.00 33.21 H new ATOM 0 HH22 ARG A 649 -3.747 -8.545 -8.096 1.00 33.21 H new ATOM 1342 N VAL A 650 -5.485 -3.897 -1.953 1.00 65.44 N ATOM 1343 CA VAL A 650 -4.957 -4.183 -0.624 1.00 4.43 C ATOM 1344 C VAL A 650 -5.901 -5.088 0.160 1.00 12.13 C ATOM 1345 O VAL A 650 -5.464 -5.918 0.958 1.00 23.52 O ATOM 1346 CB VAL A 650 -4.721 -2.889 0.177 1.00 32.23 C ATOM 1347 CG1 VAL A 650 -5.976 -2.498 0.942 1.00 74.30 C ATOM 1348 CG2 VAL A 650 -3.540 -3.056 1.122 1.00 54.32 C ATOM 0 H VAL A 650 -5.615 -2.905 -2.151 1.00 65.44 H new ATOM 0 HA VAL A 650 -4.004 -4.693 -0.766 1.00 4.43 H new ATOM 0 HB VAL A 650 -4.487 -2.086 -0.522 1.00 32.23 H new ATOM 0 HG11 VAL A 650 -5.790 -1.581 1.502 1.00 74.30 H new ATOM 0 HG12 VAL A 650 -6.794 -2.335 0.240 1.00 74.30 H new ATOM 0 HG13 VAL A 650 -6.245 -3.297 1.633 1.00 74.30 H new ATOM 0 HG21 VAL A 650 -3.387 -2.132 1.680 1.00 54.32 H new ATOM 0 HG22 VAL A 650 -3.743 -3.871 1.817 1.00 54.32 H new ATOM 0 HG23 VAL A 650 -2.643 -3.285 0.546 1.00 54.32 H new ATOM 1358 N LEU A 651 -7.198 -4.923 -0.073 1.00 60.14 N ATOM 1359 CA LEU A 651 -8.207 -5.726 0.611 1.00 73.20 C ATOM 1360 C LEU A 651 -8.196 -7.162 0.101 1.00 44.12 C ATOM 1361 O LEU A 651 -8.286 -8.109 0.882 1.00 4.01 O ATOM 1362 CB LEU A 651 -9.594 -5.113 0.414 1.00 62.32 C ATOM 1363 CG LEU A 651 -10.259 -4.540 1.666 1.00 73.05 C ATOM 1364 CD1 LEU A 651 -9.292 -3.641 2.420 1.00 74.23 C ATOM 1365 CD2 LEU A 651 -11.523 -3.776 1.298 1.00 2.41 C ATOM 0 H LEU A 651 -7.576 -4.241 -0.730 1.00 60.14 H new ATOM 0 HA LEU A 651 -7.969 -5.736 1.675 1.00 73.20 H new ATOM 0 HB2 LEU A 651 -9.516 -4.318 -0.328 1.00 62.32 H new ATOM 0 HB3 LEU A 651 -10.250 -5.876 -0.005 1.00 62.32 H new ATOM 0 HG LEU A 651 -10.536 -5.369 2.317 1.00 73.05 H new ATOM 0 HD11 LEU A 651 -9.783 -3.242 3.308 1.00 74.23 H new ATOM 0 HD12 LEU A 651 -8.416 -4.217 2.718 1.00 74.23 H new ATOM 0 HD13 LEU A 651 -8.983 -2.818 1.776 1.00 74.23 H new ATOM 0 HD21 LEU A 651 -11.982 -3.376 2.202 1.00 2.41 H new ATOM 0 HD22 LEU A 651 -11.270 -2.956 0.626 1.00 2.41 H new ATOM 0 HD23 LEU A 651 -12.223 -4.448 0.802 1.00 2.41 H new ATOM 1376 N ALA A 652 -8.084 -7.318 -1.214 1.00 4.11 N ATOM 1377 CA ALA A 652 -8.056 -8.640 -1.827 1.00 54.42 C ATOM 1378 C ALA A 652 -6.963 -9.508 -1.214 1.00 33.31 C ATOM 1379 O ALA A 652 -7.215 -10.637 -0.796 1.00 2.31 O ATOM 1380 CB ALA A 652 -7.856 -8.520 -3.331 1.00 11.03 C ATOM 0 H ALA A 652 -8.011 -6.545 -1.875 1.00 4.11 H new ATOM 0 HA ALA A 652 -9.015 -9.122 -1.636 1.00 54.42 H new ATOM 0 HB1 ALA A 652 -7.837 -9.515 -3.776 1.00 11.03 H new ATOM 0 HB2 ALA A 652 -8.675 -7.945 -3.762 1.00 11.03 H new ATOM 0 HB3 ALA A 652 -6.912 -8.014 -3.533 1.00 11.03 H new ATOM 1386 N ALA A 653 -5.748 -8.972 -1.163 1.00 32.04 N ATOM 1387 CA ALA A 653 -4.616 -9.698 -0.599 1.00 72.23 C ATOM 1388 C ALA A 653 -4.732 -9.803 0.918 1.00 73.02 C ATOM 1389 O ALA A 653 -4.445 -10.848 1.501 1.00 61.24 O ATOM 1390 CB ALA A 653 -3.310 -9.021 -0.985 1.00 65.43 C ATOM 0 H ALA A 653 -5.522 -8.038 -1.505 1.00 32.04 H new ATOM 0 HA ALA A 653 -4.623 -10.708 -1.008 1.00 72.23 H new ATOM 0 HB1 ALA A 653 -2.473 -9.574 -0.557 1.00 65.43 H new ATOM 0 HB2 ALA A 653 -3.216 -9.004 -2.071 1.00 65.43 H new ATOM 0 HB3 ALA A 653 -3.303 -8.000 -0.604 1.00 65.43 H new ATOM 1396 N HIS A 654 -5.154 -8.712 1.551 1.00 4.32 N ATOM 1397 CA HIS A 654 -5.308 -8.683 3.002 1.00 33.12 C ATOM 1398 C HIS A 654 -6.183 -9.838 3.479 1.00 70.44 C ATOM 1399 O HIS A 654 -5.858 -10.512 4.456 1.00 51.12 O ATOM 1400 CB HIS A 654 -5.915 -7.351 3.443 1.00 44.14 C ATOM 1401 CG HIS A 654 -6.306 -7.322 4.889 1.00 75.31 C ATOM 1402 ND1 HIS A 654 -7.571 -7.646 5.333 1.00 23.22 N ATOM 1403 CD2 HIS A 654 -5.591 -7.006 5.993 1.00 52.22 C ATOM 1404 CE1 HIS A 654 -7.617 -7.529 6.647 1.00 75.54 C ATOM 1405 NE2 HIS A 654 -6.428 -7.142 7.074 1.00 31.42 N ATOM 0 H HIS A 654 -5.395 -7.838 1.083 1.00 4.32 H new ATOM 0 HA HIS A 654 -4.320 -8.791 3.451 1.00 33.12 H new ATOM 0 HB2 HIS A 654 -5.197 -6.553 3.253 1.00 44.14 H new ATOM 0 HB3 HIS A 654 -6.794 -7.141 2.833 1.00 44.14 H new ATOM 0 HD2 HIS A 654 -4.555 -6.703 6.020 1.00 52.22 H new ATOM 0 HE1 HIS A 654 -8.480 -7.718 7.268 1.00 75.54 H new ATOM 0 HE2 HIS A 654 -6.173 -6.972 8.047 1.00 31.42 H new ATOM 1412 N ALA A 655 -7.293 -10.059 2.784 1.00 51.41 N ATOM 1413 CA ALA A 655 -8.214 -11.133 3.136 1.00 62.20 C ATOM 1414 C ALA A 655 -7.579 -12.500 2.901 1.00 63.35 C ATOM 1415 O ALA A 655 -7.643 -13.380 3.759 1.00 41.21 O ATOM 1416 CB ALA A 655 -9.504 -11.005 2.340 1.00 73.44 C ATOM 0 H ALA A 655 -7.577 -9.509 1.973 1.00 51.41 H new ATOM 0 HA ALA A 655 -8.445 -11.046 4.198 1.00 62.20 H new ATOM 0 HB1 ALA A 655 -10.182 -11.814 2.613 1.00 73.44 H new ATOM 0 HB2 ALA A 655 -9.974 -10.047 2.561 1.00 73.44 H new ATOM 0 HB3 ALA A 655 -9.281 -11.063 1.275 1.00 73.44 H new ATOM 1422 N TYR A 656 -6.968 -12.670 1.734 1.00 73.20 N ATOM 1423 CA TYR A 656 -6.325 -13.931 1.385 1.00 24.23 C ATOM 1424 C TYR A 656 -5.302 -14.332 2.444 1.00 72.21 C ATOM 1425 O TYR A 656 -5.306 -15.463 2.930 1.00 32.55 O ATOM 1426 CB TYR A 656 -5.645 -13.820 0.020 1.00 23.14 C ATOM 1427 CG TYR A 656 -4.820 -15.033 -0.347 1.00 12.03 C ATOM 1428 CD1 TYR A 656 -5.430 -16.236 -0.683 1.00 3.12 C ATOM 1429 CD2 TYR A 656 -3.432 -14.977 -0.358 1.00 52.22 C ATOM 1430 CE1 TYR A 656 -4.680 -17.347 -1.018 1.00 25.10 C ATOM 1431 CE2 TYR A 656 -2.675 -16.082 -0.693 1.00 20.33 C ATOM 1432 CZ TYR A 656 -3.303 -17.265 -1.021 1.00 4.22 C ATOM 1433 OH TYR A 656 -2.553 -18.369 -1.355 1.00 10.32 O ATOM 0 H TYR A 656 -6.904 -11.951 1.014 1.00 73.20 H new ATOM 0 HA TYR A 656 -7.095 -14.701 1.339 1.00 24.23 H new ATOM 0 HB2 TYR A 656 -6.407 -13.664 -0.744 1.00 23.14 H new ATOM 0 HB3 TYR A 656 -5.003 -12.939 0.014 1.00 23.14 H new ATOM 0 HD1 TYR A 656 -6.508 -16.303 -0.682 1.00 3.12 H new ATOM 0 HD2 TYR A 656 -2.936 -14.053 -0.100 1.00 52.22 H new ATOM 0 HE1 TYR A 656 -5.169 -18.275 -1.276 1.00 25.10 H new ATOM 0 HE2 TYR A 656 -1.597 -16.020 -0.698 1.00 20.33 H new ATOM 0 HH TYR A 656 -1.600 -18.143 -1.309 1.00 10.32 H new ATOM 1442 N TRP A 657 -4.427 -13.396 2.796 1.00 72.02 N ATOM 1443 CA TRP A 657 -3.398 -13.650 3.797 1.00 4.20 C ATOM 1444 C TRP A 657 -4.008 -13.756 5.191 1.00 50.12 C ATOM 1445 O TRP A 657 -3.565 -14.557 6.013 1.00 53.04 O ATOM 1446 CB TRP A 657 -2.346 -12.540 3.770 1.00 71.24 C ATOM 1447 CG TRP A 657 -1.643 -12.420 2.453 1.00 33.33 C ATOM 1448 CD1 TRP A 657 -1.591 -11.317 1.649 1.00 72.32 C ATOM 1449 CD2 TRP A 657 -0.893 -13.440 1.785 1.00 44.44 C ATOM 1450 NE1 TRP A 657 -0.855 -11.591 0.521 1.00 63.42 N ATOM 1451 CE2 TRP A 657 -0.414 -12.886 0.582 1.00 14.44 C ATOM 1452 CE3 TRP A 657 -0.578 -14.768 2.087 1.00 42.35 C ATOM 1453 CZ2 TRP A 657 0.361 -13.615 -0.317 1.00 44.30 C ATOM 1454 CZ3 TRP A 657 0.191 -15.490 1.195 1.00 22.35 C ATOM 1455 CH2 TRP A 657 0.654 -14.913 0.005 1.00 31.22 C ATOM 0 H TRP A 657 -4.410 -12.455 2.403 1.00 72.02 H new ATOM 0 HA TRP A 657 -2.920 -14.600 3.557 1.00 4.20 H new ATOM 0 HB2 TRP A 657 -2.825 -11.590 4.006 1.00 71.24 H new ATOM 0 HB3 TRP A 657 -1.609 -12.728 4.551 1.00 71.24 H new ATOM 0 HD1 TRP A 657 -2.059 -10.369 1.868 1.00 72.32 H new ATOM 0 HE1 TRP A 657 -0.668 -10.936 -0.238 1.00 63.42 H new ATOM 0 HE3 TRP A 657 -0.930 -15.222 3.002 1.00 42.35 H new ATOM 0 HZ2 TRP A 657 0.718 -13.172 -1.235 1.00 44.30 H new ATOM 0 HZ3 TRP A 657 0.440 -16.517 1.419 1.00 22.35 H new ATOM 0 HH2 TRP A 657 1.254 -15.504 -0.671 1.00 31.22 H new ATOM 1465 N SER A 658 -5.027 -12.942 5.449 1.00 40.10 N ATOM 1466 CA SER A 658 -5.696 -12.942 6.745 1.00 33.11 C ATOM 1467 C SER A 658 -6.157 -14.347 7.118 1.00 60.24 C ATOM 1468 O SER A 658 -6.193 -14.707 8.294 1.00 50.03 O ATOM 1469 CB SER A 658 -6.892 -11.988 6.725 1.00 1.33 C ATOM 1470 OG SER A 658 -7.775 -12.255 7.801 1.00 10.01 O ATOM 0 H SER A 658 -5.407 -12.274 4.778 1.00 40.10 H new ATOM 0 HA SER A 658 -4.982 -12.602 7.495 1.00 33.11 H new ATOM 0 HB2 SER A 658 -6.541 -10.958 6.786 1.00 1.33 H new ATOM 0 HB3 SER A 658 -7.425 -12.088 5.780 1.00 1.33 H new ATOM 0 HG SER A 658 -8.530 -11.631 7.767 1.00 10.01 H new ATOM 1475 N GLN A 659 -6.510 -15.135 6.108 1.00 25.51 N ATOM 1476 CA GLN A 659 -6.969 -16.501 6.330 1.00 2.41 C ATOM 1477 C GLN A 659 -5.926 -17.310 7.095 1.00 75.34 C ATOM 1478 O GLN A 659 -6.250 -18.315 7.727 1.00 22.31 O ATOM 1479 CB GLN A 659 -7.278 -17.181 4.995 1.00 73.20 C ATOM 1480 CG GLN A 659 -7.632 -18.653 5.129 1.00 61.21 C ATOM 1481 CD GLN A 659 -8.297 -19.210 3.885 1.00 22.32 C ATOM 1482 OE1 GLN A 659 -9.479 -19.554 3.902 1.00 12.54 O ATOM 1483 NE2 GLN A 659 -7.540 -19.300 2.798 1.00 5.12 N ATOM 0 H GLN A 659 -6.487 -14.851 5.129 1.00 25.51 H new ATOM 0 HA GLN A 659 -7.879 -16.458 6.928 1.00 2.41 H new ATOM 0 HB2 GLN A 659 -8.105 -16.659 4.514 1.00 73.20 H new ATOM 0 HB3 GLN A 659 -6.414 -17.082 4.338 1.00 73.20 H new ATOM 0 HG2 GLN A 659 -6.727 -19.223 5.338 1.00 61.21 H new ATOM 0 HG3 GLN A 659 -8.297 -18.786 5.982 1.00 61.21 H new ATOM 0 HE21 GLN A 659 -6.565 -19.003 2.830 1.00 5.12 H new ATOM 0 HE22 GLN A 659 -7.934 -19.666 1.931 1.00 5.12 H new