USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 448 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 625 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 629 THR OG1 : rot 71:sc= 1.25 USER MOD Single : A 581 SER OG : rot 33:sc= 0.161 USER MOD Single : A 594 HIS : no HD1:sc= -0.023 X(o=-0.023,f=-0.34) USER MOD Single : A 597 THR OG1 : rot 180:sc= 0.0662 USER MOD Single : A 604 LYS NZ :NH3+ -161:sc= -0.235 (180deg=-0.728) USER MOD Single : A 605 MET CE :methyl -159:sc= -0.0507 (180deg=-0.376) USER MOD Single : A 616 TYR OH : rot 180:sc= 0 USER MOD Single : A 620 LYS NZ :NH3+ -154:sc= -0.143 (180deg=-0.636) USER MOD Single : A 622 LYS NZ :NH3+ 153:sc= -0.799 (180deg=-2.53!) USER MOD Single : A 624 LYS NZ :NH3+ 156:sc= -0.173 (180deg=-0.752) USER MOD Single : A 628 HIS : no HD1:sc= -0.504 X(o=-0.5,f=-0.024) USER MOD Single : A 631 SER OG : rot 72:sc= 1.16 USER MOD Single : A 644 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 654 HIS : +bothHN:sc= -4.49! C(o=-4.5!,f=-13!) USER MOD Single : A 656 TYR OH : rot 180:sc= 0 USER MOD Single : A 658 SER OG : rot 95:sc= 1.1 USER MOD Single : A 659 GLN : amide:sc= -0.0259 X(o=-0.026,f=-0.026) USER MOD ----------------------------------------------------------------- ATOM 321 N SER A 581 0.736 10.520 -3.121 1.00 2.22 N ATOM 322 CA SER A 581 -0.029 10.517 -4.361 1.00 14.43 C ATOM 323 C SER A 581 -0.438 9.098 -4.744 1.00 13.12 C ATOM 324 O SER A 581 0.163 8.123 -4.293 1.00 51.24 O ATOM 325 CB SER A 581 0.787 11.147 -5.491 1.00 52.23 C ATOM 326 OG SER A 581 1.273 12.424 -5.118 1.00 73.13 O ATOM 0 HA SER A 581 -0.932 11.107 -4.203 1.00 14.43 H new ATOM 0 HB2 SER A 581 1.623 10.496 -5.746 1.00 52.23 H new ATOM 0 HB3 SER A 581 0.169 11.236 -6.384 1.00 52.23 H new ATOM 0 HG SER A 581 1.465 12.433 -4.157 1.00 73.13 H new ATOM 331 N VAL A 582 -1.466 8.990 -5.581 1.00 22.22 N ATOM 332 CA VAL A 582 -1.956 7.691 -6.027 1.00 41.24 C ATOM 333 C VAL A 582 -0.833 6.860 -6.638 1.00 40.42 C ATOM 334 O VAL A 582 -0.784 5.643 -6.466 1.00 51.40 O ATOM 335 CB VAL A 582 -3.088 7.842 -7.060 1.00 11.31 C ATOM 336 CG1 VAL A 582 -3.541 6.479 -7.559 1.00 54.55 C ATOM 337 CG2 VAL A 582 -4.254 8.615 -6.462 1.00 15.21 C ATOM 0 H VAL A 582 -1.975 9.787 -5.964 1.00 22.22 H new ATOM 0 HA VAL A 582 -2.344 7.180 -5.146 1.00 41.24 H new ATOM 0 HB VAL A 582 -2.707 8.405 -7.912 1.00 11.31 H new ATOM 0 HG11 VAL A 582 -4.341 6.606 -8.288 1.00 54.55 H new ATOM 0 HG12 VAL A 582 -2.701 5.966 -8.028 1.00 54.55 H new ATOM 0 HG13 VAL A 582 -3.906 5.887 -6.720 1.00 54.55 H new ATOM 0 HG21 VAL A 582 -5.045 8.713 -7.205 1.00 15.21 H new ATOM 0 HG22 VAL A 582 -4.637 8.081 -5.592 1.00 15.21 H new ATOM 0 HG23 VAL A 582 -3.916 9.606 -6.159 1.00 15.21 H new ATOM 347 N ALA A 583 0.068 7.528 -7.351 1.00 4.33 N ATOM 348 CA ALA A 583 1.193 6.851 -7.986 1.00 52.42 C ATOM 349 C ALA A 583 2.178 6.329 -6.945 1.00 22.23 C ATOM 350 O ALA A 583 2.758 5.257 -7.110 1.00 15.40 O ATOM 351 CB ALA A 583 1.895 7.791 -8.956 1.00 52.52 C ATOM 0 H ALA A 583 0.041 8.536 -7.503 1.00 4.33 H new ATOM 0 HA ALA A 583 0.805 5.997 -8.541 1.00 52.42 H new ATOM 0 HB1 ALA A 583 2.733 7.273 -9.423 1.00 52.52 H new ATOM 0 HB2 ALA A 583 1.192 8.111 -9.725 1.00 52.52 H new ATOM 0 HB3 ALA A 583 2.263 8.663 -8.415 1.00 52.52 H new ATOM 357 N GLU A 584 2.363 7.095 -5.875 1.00 72.44 N ATOM 358 CA GLU A 584 3.279 6.710 -4.809 1.00 21.41 C ATOM 359 C GLU A 584 2.675 5.608 -3.944 1.00 72.05 C ATOM 360 O GLU A 584 3.362 4.665 -3.550 1.00 14.32 O ATOM 361 CB GLU A 584 3.627 7.922 -3.942 1.00 4.30 C ATOM 362 CG GLU A 584 4.244 9.071 -4.721 1.00 43.21 C ATOM 363 CD GLU A 584 5.685 9.334 -4.329 1.00 31.15 C ATOM 364 OE1 GLU A 584 6.471 8.365 -4.270 1.00 72.23 O ATOM 365 OE2 GLU A 584 6.028 10.510 -4.084 1.00 0.33 O ATOM 0 H GLU A 584 1.890 7.986 -5.724 1.00 72.44 H new ATOM 0 HA GLU A 584 4.191 6.328 -5.269 1.00 21.41 H new ATOM 0 HB2 GLU A 584 2.723 8.275 -3.446 1.00 4.30 H new ATOM 0 HB3 GLU A 584 4.319 7.611 -3.160 1.00 4.30 H new ATOM 0 HG2 GLU A 584 4.196 8.849 -5.787 1.00 43.21 H new ATOM 0 HG3 GLU A 584 3.656 9.974 -4.556 1.00 43.21 H new ATOM 370 N VAL A 585 1.384 5.736 -3.650 1.00 22.21 N ATOM 371 CA VAL A 585 0.686 4.751 -2.831 1.00 21.40 C ATOM 372 C VAL A 585 0.596 3.408 -3.545 1.00 13.34 C ATOM 373 O VAL A 585 0.700 2.353 -2.919 1.00 55.04 O ATOM 374 CB VAL A 585 -0.735 5.226 -2.472 1.00 21.41 C ATOM 375 CG1 VAL A 585 -1.472 4.157 -1.683 1.00 4.33 C ATOM 376 CG2 VAL A 585 -0.678 6.532 -1.694 1.00 71.14 C ATOM 0 H VAL A 585 0.801 6.511 -3.966 1.00 22.21 H new ATOM 0 HA VAL A 585 1.264 4.634 -1.915 1.00 21.40 H new ATOM 0 HB VAL A 585 -1.285 5.404 -3.396 1.00 21.41 H new ATOM 0 HG11 VAL A 585 -2.474 4.511 -1.439 1.00 4.33 H new ATOM 0 HG12 VAL A 585 -1.544 3.248 -2.281 1.00 4.33 H new ATOM 0 HG13 VAL A 585 -0.928 3.944 -0.763 1.00 4.33 H new ATOM 0 HG21 VAL A 585 -1.690 6.854 -1.448 1.00 71.14 H new ATOM 0 HG22 VAL A 585 -0.111 6.384 -0.775 1.00 71.14 H new ATOM 0 HG23 VAL A 585 -0.192 7.296 -2.301 1.00 71.14 H new ATOM 386 N GLU A 586 0.402 3.454 -4.860 1.00 23.23 N ATOM 387 CA GLU A 586 0.297 2.239 -5.659 1.00 63.41 C ATOM 388 C GLU A 586 1.475 1.306 -5.388 1.00 33.43 C ATOM 389 O GLU A 586 1.346 0.086 -5.475 1.00 44.22 O ATOM 390 CB GLU A 586 0.239 2.585 -7.149 1.00 61.14 C ATOM 391 CG GLU A 586 1.597 2.571 -7.830 1.00 55.23 C ATOM 392 CD GLU A 586 1.595 3.320 -9.149 1.00 62.34 C ATOM 393 OE1 GLU A 586 0.497 3.659 -9.637 1.00 54.21 O ATOM 394 OE2 GLU A 586 2.692 3.567 -9.692 1.00 74.13 O ATOM 0 H GLU A 586 0.315 4.319 -5.394 1.00 23.23 H new ATOM 0 HA GLU A 586 -0.623 1.727 -5.376 1.00 63.41 H new ATOM 0 HB2 GLU A 586 -0.418 1.876 -7.653 1.00 61.14 H new ATOM 0 HB3 GLU A 586 -0.207 3.572 -7.267 1.00 61.14 H new ATOM 0 HG2 GLU A 586 2.338 3.015 -7.165 1.00 55.23 H new ATOM 0 HG3 GLU A 586 1.902 1.539 -8.003 1.00 55.23 H new ATOM 399 N ALA A 587 2.622 1.891 -5.061 1.00 72.30 N ATOM 400 CA ALA A 587 3.823 1.115 -4.776 1.00 12.52 C ATOM 401 C ALA A 587 3.639 0.259 -3.527 1.00 12.34 C ATOM 402 O ALA A 587 3.978 -0.925 -3.519 1.00 4.23 O ATOM 403 CB ALA A 587 5.022 2.037 -4.615 1.00 42.30 C ATOM 0 H ALA A 587 2.745 2.901 -4.987 1.00 72.30 H new ATOM 0 HA ALA A 587 4.003 0.448 -5.619 1.00 12.52 H new ATOM 0 HB1 ALA A 587 5.911 1.444 -4.403 1.00 42.30 H new ATOM 0 HB2 ALA A 587 5.173 2.601 -5.535 1.00 42.30 H new ATOM 0 HB3 ALA A 587 4.842 2.728 -3.792 1.00 42.30 H new ATOM 409 N LEU A 588 3.101 0.865 -2.475 1.00 23.11 N ATOM 410 CA LEU A 588 2.872 0.158 -1.220 1.00 24.30 C ATOM 411 C LEU A 588 1.950 -1.039 -1.428 1.00 23.34 C ATOM 412 O LEU A 588 2.298 -2.170 -1.090 1.00 4.32 O ATOM 413 CB LEU A 588 2.270 1.105 -0.180 1.00 33.22 C ATOM 414 CG LEU A 588 2.597 0.794 1.280 1.00 45.15 C ATOM 415 CD1 LEU A 588 2.385 -0.684 1.572 1.00 73.52 C ATOM 416 CD2 LEU A 588 4.026 1.204 1.607 1.00 11.52 C ATOM 0 H LEU A 588 2.815 1.844 -2.466 1.00 23.11 H new ATOM 0 HA LEU A 588 3.833 -0.206 -0.858 1.00 24.30 H new ATOM 0 HB2 LEU A 588 2.610 2.117 -0.400 1.00 33.22 H new ATOM 0 HB3 LEU A 588 1.186 1.100 -0.298 1.00 33.22 H new ATOM 0 HG LEU A 588 1.921 1.369 1.913 1.00 45.15 H new ATOM 0 HD11 LEU A 588 2.623 -0.886 2.616 1.00 73.52 H new ATOM 0 HD12 LEU A 588 1.345 -0.947 1.379 1.00 73.52 H new ATOM 0 HD13 LEU A 588 3.035 -1.279 0.930 1.00 73.52 H new ATOM 0 HD21 LEU A 588 4.240 0.975 2.651 1.00 11.52 H new ATOM 0 HD22 LEU A 588 4.717 0.657 0.966 1.00 11.52 H new ATOM 0 HD23 LEU A 588 4.145 2.274 1.439 1.00 11.52 H new ATOM 427 N VAL A 589 0.774 -0.783 -1.990 1.00 73.24 N ATOM 428 CA VAL A 589 -0.198 -1.838 -2.248 1.00 42.40 C ATOM 429 C VAL A 589 0.376 -2.896 -3.184 1.00 63.23 C ATOM 430 O VAL A 589 0.317 -4.091 -2.895 1.00 31.24 O ATOM 431 CB VAL A 589 -1.492 -1.273 -2.862 1.00 13.24 C ATOM 432 CG1 VAL A 589 -1.176 -0.418 -4.080 1.00 53.14 C ATOM 433 CG2 VAL A 589 -2.446 -2.401 -3.225 1.00 55.10 C ATOM 0 H VAL A 589 0.471 0.148 -2.276 1.00 73.24 H new ATOM 0 HA VAL A 589 -0.432 -2.295 -1.286 1.00 42.40 H new ATOM 0 HB VAL A 589 -1.980 -0.640 -2.120 1.00 13.24 H new ATOM 0 HG11 VAL A 589 -2.103 -0.027 -4.501 1.00 53.14 H new ATOM 0 HG12 VAL A 589 -0.533 0.411 -3.785 1.00 53.14 H new ATOM 0 HG13 VAL A 589 -0.666 -1.025 -4.828 1.00 53.14 H new ATOM 0 HG21 VAL A 589 -3.355 -1.984 -3.658 1.00 55.10 H new ATOM 0 HG22 VAL A 589 -1.970 -3.062 -3.949 1.00 55.10 H new ATOM 0 HG23 VAL A 589 -2.698 -2.967 -2.328 1.00 55.10 H new ATOM 443 N GLU A 590 0.931 -2.448 -4.305 1.00 34.35 N ATOM 444 CA GLU A 590 1.516 -3.357 -5.284 1.00 3.03 C ATOM 445 C GLU A 590 2.652 -4.166 -4.665 1.00 42.15 C ATOM 446 O GLU A 590 2.914 -5.299 -5.068 1.00 74.11 O ATOM 447 CB GLU A 590 2.033 -2.576 -6.494 1.00 33.42 C ATOM 448 CG GLU A 590 0.930 -2.075 -7.412 1.00 41.54 C ATOM 449 CD GLU A 590 0.387 -3.162 -8.319 1.00 5.40 C ATOM 450 OE1 GLU A 590 1.064 -3.498 -9.313 1.00 62.52 O ATOM 451 OE2 GLU A 590 -0.714 -3.678 -8.035 1.00 41.03 O ATOM 0 H GLU A 590 0.988 -1.462 -4.558 1.00 34.35 H new ATOM 0 HA GLU A 590 0.738 -4.046 -5.611 1.00 3.03 H new ATOM 0 HB2 GLU A 590 2.617 -1.725 -6.144 1.00 33.42 H new ATOM 0 HB3 GLU A 590 2.708 -3.213 -7.065 1.00 33.42 H new ATOM 0 HG2 GLU A 590 0.117 -1.670 -6.809 1.00 41.54 H new ATOM 0 HG3 GLU A 590 1.313 -1.257 -8.021 1.00 41.54 H new ATOM 456 N ALA A 591 3.323 -3.576 -3.681 1.00 62.51 N ATOM 457 CA ALA A 591 4.430 -4.241 -3.005 1.00 3.22 C ATOM 458 C ALA A 591 3.922 -5.320 -2.053 1.00 63.42 C ATOM 459 O ALA A 591 4.465 -6.424 -2.004 1.00 64.35 O ATOM 460 CB ALA A 591 5.276 -3.225 -2.251 1.00 14.34 C ATOM 0 H ALA A 591 3.119 -2.639 -3.334 1.00 62.51 H new ATOM 0 HA ALA A 591 5.049 -4.722 -3.762 1.00 3.22 H new ATOM 0 HB1 ALA A 591 6.099 -3.736 -1.751 1.00 14.34 H new ATOM 0 HB2 ALA A 591 5.676 -2.493 -2.952 1.00 14.34 H new ATOM 0 HB3 ALA A 591 4.660 -2.718 -1.509 1.00 14.34 H new ATOM 466 N VAL A 592 2.879 -4.993 -1.298 1.00 53.32 N ATOM 467 CA VAL A 592 2.298 -5.934 -0.348 1.00 62.24 C ATOM 468 C VAL A 592 1.467 -6.994 -1.062 1.00 22.02 C ATOM 469 O VAL A 592 1.291 -8.102 -0.557 1.00 64.12 O ATOM 470 CB VAL A 592 1.411 -5.213 0.685 1.00 43.30 C ATOM 471 CG1 VAL A 592 0.198 -4.595 0.009 1.00 32.32 C ATOM 472 CG2 VAL A 592 0.986 -6.174 1.785 1.00 64.34 C ATOM 0 H VAL A 592 2.419 -4.083 -1.326 1.00 53.32 H new ATOM 0 HA VAL A 592 3.129 -6.415 0.169 1.00 62.24 H new ATOM 0 HB VAL A 592 1.992 -4.410 1.139 1.00 43.30 H new ATOM 0 HG11 VAL A 592 -0.416 -4.090 0.755 1.00 32.32 H new ATOM 0 HG12 VAL A 592 0.527 -3.874 -0.739 1.00 32.32 H new ATOM 0 HG13 VAL A 592 -0.387 -5.377 -0.474 1.00 32.32 H new ATOM 0 HG21 VAL A 592 0.360 -5.648 2.506 1.00 64.34 H new ATOM 0 HG22 VAL A 592 0.423 -6.999 1.350 1.00 64.34 H new ATOM 0 HG23 VAL A 592 1.870 -6.564 2.289 1.00 64.34 H new ATOM 482 N GLU A 593 0.959 -6.646 -2.240 1.00 21.51 N ATOM 483 CA GLU A 593 0.147 -7.568 -3.023 1.00 12.45 C ATOM 484 C GLU A 593 1.013 -8.655 -3.655 1.00 2.01 C ATOM 485 O GLU A 593 0.601 -9.811 -3.761 1.00 60.03 O ATOM 486 CB GLU A 593 -0.615 -6.813 -4.114 1.00 72.13 C ATOM 487 CG GLU A 593 -2.071 -6.547 -3.765 1.00 11.25 C ATOM 488 CD GLU A 593 -2.961 -6.483 -4.991 1.00 14.54 C ATOM 489 OE1 GLU A 593 -2.604 -5.764 -5.948 1.00 12.41 O ATOM 490 OE2 GLU A 593 -4.015 -7.152 -4.994 1.00 55.34 O ATOM 0 H GLU A 593 1.096 -5.732 -2.672 1.00 21.51 H new ATOM 0 HA GLU A 593 -0.568 -8.041 -2.350 1.00 12.45 H new ATOM 0 HB2 GLU A 593 -0.116 -5.863 -4.303 1.00 72.13 H new ATOM 0 HB3 GLU A 593 -0.571 -7.386 -5.040 1.00 72.13 H new ATOM 0 HG2 GLU A 593 -2.431 -7.332 -3.100 1.00 11.25 H new ATOM 0 HG3 GLU A 593 -2.144 -5.607 -3.218 1.00 11.25 H new ATOM 495 N HIS A 594 2.217 -8.276 -4.074 1.00 72.25 N ATOM 496 CA HIS A 594 3.142 -9.217 -4.694 1.00 61.24 C ATOM 497 C HIS A 594 3.930 -9.983 -3.636 1.00 71.24 C ATOM 498 O HIS A 594 4.052 -11.207 -3.702 1.00 21.13 O ATOM 499 CB HIS A 594 4.104 -8.480 -5.628 1.00 53.35 C ATOM 500 CG HIS A 594 3.473 -8.048 -6.916 1.00 24.05 C ATOM 501 ND1 HIS A 594 4.139 -7.303 -7.866 1.00 14.11 N ATOM 502 CD2 HIS A 594 2.232 -8.264 -7.411 1.00 63.44 C ATOM 503 CE1 HIS A 594 3.333 -7.076 -8.888 1.00 10.31 C ATOM 504 NE2 HIS A 594 2.170 -7.650 -8.637 1.00 1.21 N ATOM 0 H HIS A 594 2.574 -7.324 -3.995 1.00 72.25 H new ATOM 0 HA HIS A 594 2.558 -9.931 -5.275 1.00 61.24 H new ATOM 0 HB2 HIS A 594 4.497 -7.603 -5.113 1.00 53.35 H new ATOM 0 HB3 HIS A 594 4.952 -9.128 -5.848 1.00 53.35 H new ATOM 0 HD2 HIS A 594 1.438 -8.817 -6.931 1.00 63.44 H new ATOM 0 HE1 HIS A 594 3.583 -6.516 -9.777 1.00 10.31 H new ATOM 0 HE2 HIS A 594 1.358 -7.639 -9.254 1.00 1.21 H new ATOM 511 N LEU A 595 4.463 -9.255 -2.660 1.00 54.24 N ATOM 512 CA LEU A 595 5.239 -9.866 -1.586 1.00 32.33 C ATOM 513 C LEU A 595 4.323 -10.468 -0.526 1.00 24.40 C ATOM 514 O LEU A 595 4.718 -11.370 0.211 1.00 21.43 O ATOM 515 CB LEU A 595 6.166 -8.830 -0.948 1.00 73.32 C ATOM 516 CG LEU A 595 7.442 -8.502 -1.725 1.00 44.21 C ATOM 517 CD1 LEU A 595 8.253 -9.765 -1.975 1.00 61.31 C ATOM 518 CD2 LEU A 595 7.105 -7.812 -3.039 1.00 3.30 C ATOM 0 H LEU A 595 4.372 -8.241 -2.590 1.00 54.24 H new ATOM 0 HA LEU A 595 5.840 -10.667 -2.016 1.00 32.33 H new ATOM 0 HB2 LEU A 595 5.604 -7.907 -0.806 1.00 73.32 H new ATOM 0 HB3 LEU A 595 6.449 -9.186 0.042 1.00 73.32 H new ATOM 0 HG LEU A 595 8.045 -7.820 -1.125 1.00 44.21 H new ATOM 0 HD11 LEU A 595 9.157 -9.513 -2.529 1.00 61.31 H new ATOM 0 HD12 LEU A 595 8.526 -10.217 -1.021 1.00 61.31 H new ATOM 0 HD13 LEU A 595 7.658 -10.471 -2.554 1.00 61.31 H new ATOM 0 HD21 LEU A 595 8.025 -7.586 -3.578 1.00 3.30 H new ATOM 0 HD22 LEU A 595 6.481 -8.469 -3.645 1.00 3.30 H new ATOM 0 HD23 LEU A 595 6.567 -6.886 -2.836 1.00 3.30 H new ATOM 529 N GLY A 596 3.096 -9.962 -0.455 1.00 14.33 N ATOM 530 CA GLY A 596 2.142 -10.463 0.517 1.00 71.05 C ATOM 531 C GLY A 596 2.136 -9.649 1.796 1.00 42.00 C ATOM 532 O GLY A 596 2.945 -8.737 1.965 1.00 71.11 O ATOM 0 H GLY A 596 2.745 -9.214 -1.053 1.00 14.33 H new ATOM 0 HA2 GLY A 596 1.144 -10.454 0.080 1.00 71.05 H new ATOM 0 HA3 GLY A 596 2.378 -11.501 0.752 1.00 71.05 H new ATOM 536 N THR A 597 1.219 -9.978 2.701 1.00 2.20 N ATOM 537 CA THR A 597 1.109 -9.270 3.970 1.00 3.23 C ATOM 538 C THR A 597 2.000 -9.904 5.032 1.00 43.43 C ATOM 539 O THR A 597 1.823 -9.667 6.226 1.00 42.01 O ATOM 540 CB THR A 597 -0.344 -9.252 4.479 1.00 11.20 C ATOM 541 OG1 THR A 597 -1.072 -10.352 3.921 1.00 42.32 O ATOM 542 CG2 THR A 597 -1.029 -7.945 4.111 1.00 15.40 C ATOM 0 H THR A 597 0.542 -10.731 2.578 1.00 2.20 H new ATOM 0 HA THR A 597 1.435 -8.246 3.790 1.00 3.23 H new ATOM 0 HB THR A 597 -0.327 -9.342 5.565 1.00 11.20 H new ATOM 0 HG1 THR A 597 -1.995 -10.334 4.251 1.00 42.32 H new ATOM 0 HG21 THR A 597 -2.054 -7.955 4.481 1.00 15.40 H new ATOM 0 HG22 THR A 597 -0.489 -7.112 4.561 1.00 15.40 H new ATOM 0 HG23 THR A 597 -1.035 -7.830 3.027 1.00 15.40 H new ATOM 550 N GLY A 598 2.958 -10.712 4.590 1.00 4.41 N ATOM 551 CA GLY A 598 3.863 -11.368 5.516 1.00 23.10 C ATOM 552 C GLY A 598 5.319 -11.096 5.195 1.00 73.13 C ATOM 553 O GLY A 598 6.210 -11.784 5.693 1.00 2.04 O ATOM 0 H GLY A 598 3.124 -10.924 3.606 1.00 4.41 H new ATOM 0 HA2 GLY A 598 3.648 -11.030 6.530 1.00 23.10 H new ATOM 0 HA3 GLY A 598 3.684 -12.443 5.494 1.00 23.10 H new ATOM 557 N ARG A 599 5.561 -10.091 4.361 1.00 22.33 N ATOM 558 CA ARG A 599 6.920 -9.731 3.972 1.00 13.21 C ATOM 559 C ARG A 599 7.080 -8.217 3.893 1.00 73.55 C ATOM 560 O ARG A 599 7.053 -7.635 2.808 1.00 64.40 O ATOM 561 CB ARG A 599 7.271 -10.362 2.623 1.00 11.34 C ATOM 562 CG ARG A 599 7.371 -11.879 2.667 1.00 71.54 C ATOM 563 CD ARG A 599 7.533 -12.467 1.275 1.00 73.32 C ATOM 564 NE ARG A 599 8.335 -13.688 1.286 1.00 71.35 N ATOM 565 CZ ARG A 599 7.874 -14.867 1.689 1.00 71.33 C ATOM 566 NH1 ARG A 599 6.622 -14.984 2.110 1.00 32.41 N ATOM 567 NH2 ARG A 599 8.665 -15.931 1.670 1.00 11.20 N ATOM 0 H ARG A 599 4.834 -9.511 3.941 1.00 22.33 H new ATOM 0 HA ARG A 599 7.601 -10.112 4.733 1.00 13.21 H new ATOM 0 HB2 ARG A 599 6.515 -10.077 1.891 1.00 11.34 H new ATOM 0 HB3 ARG A 599 8.220 -9.954 2.277 1.00 11.34 H new ATOM 0 HG2 ARG A 599 8.218 -12.171 3.287 1.00 71.54 H new ATOM 0 HG3 ARG A 599 6.477 -12.290 3.135 1.00 71.54 H new ATOM 0 HD2 ARG A 599 6.550 -12.683 0.856 1.00 73.32 H new ATOM 0 HD3 ARG A 599 8.003 -11.731 0.623 1.00 73.32 H new ATOM 0 HE ARG A 599 9.302 -13.632 0.967 1.00 71.35 H new ATOM 0 HH11 ARG A 599 6.011 -14.168 2.125 1.00 32.41 H new ATOM 0 HH12 ARG A 599 6.270 -15.890 2.419 1.00 32.41 H new ATOM 0 HH21 ARG A 599 9.628 -15.845 1.346 1.00 11.20 H new ATOM 0 HH22 ARG A 599 8.310 -16.836 1.980 1.00 11.20 H new ATOM 578 N TRP A 600 7.245 -7.583 5.049 1.00 50.21 N ATOM 579 CA TRP A 600 7.409 -6.136 5.111 1.00 74.43 C ATOM 580 C TRP A 600 8.751 -5.713 4.525 1.00 1.34 C ATOM 581 O TRP A 600 8.825 -4.772 3.735 1.00 24.24 O ATOM 582 CB TRP A 600 7.295 -5.650 6.558 1.00 3.44 C ATOM 583 CG TRP A 600 6.113 -6.217 7.284 1.00 31.14 C ATOM 584 CD1 TRP A 600 4.915 -6.580 6.739 1.00 14.51 C ATOM 585 CD2 TRP A 600 6.016 -6.483 8.687 1.00 61.11 C ATOM 586 NE1 TRP A 600 4.078 -7.056 7.720 1.00 12.34 N ATOM 587 CE2 TRP A 600 4.730 -7.008 8.923 1.00 11.11 C ATOM 588 CE3 TRP A 600 6.889 -6.331 9.766 1.00 63.41 C ATOM 589 CZ2 TRP A 600 4.300 -7.379 10.194 1.00 62.23 C ATOM 590 CZ3 TRP A 600 6.462 -6.699 11.027 1.00 53.41 C ATOM 591 CH2 TRP A 600 5.176 -7.219 11.233 1.00 22.52 C ATOM 0 H TRP A 600 7.269 -8.049 5.956 1.00 50.21 H new ATOM 0 HA TRP A 600 6.616 -5.681 4.518 1.00 74.43 H new ATOM 0 HB2 TRP A 600 8.205 -5.917 7.096 1.00 3.44 H new ATOM 0 HB3 TRP A 600 7.228 -4.562 6.564 1.00 3.44 H new ATOM 0 HD1 TRP A 600 4.662 -6.504 5.692 1.00 14.51 H new ATOM 0 HE1 TRP A 600 3.125 -7.391 7.575 1.00 12.34 H new ATOM 0 HE3 TRP A 600 7.882 -5.932 9.617 1.00 63.41 H new ATOM 0 HZ2 TRP A 600 3.310 -7.779 10.354 1.00 62.23 H new ATOM 0 HZ3 TRP A 600 7.130 -6.584 11.868 1.00 53.41 H new ATOM 0 HH2 TRP A 600 4.871 -7.499 12.231 1.00 22.52 H new ATOM 601 N ARG A 601 9.810 -6.416 4.915 1.00 31.32 N ATOM 602 CA ARG A 601 11.150 -6.113 4.427 1.00 61.32 C ATOM 603 C ARG A 601 11.178 -6.076 2.902 1.00 73.45 C ATOM 604 O ARG A 601 11.697 -5.132 2.304 1.00 23.03 O ATOM 605 CB ARG A 601 12.150 -7.150 4.942 1.00 14.34 C ATOM 606 CG ARG A 601 13.573 -6.914 4.464 1.00 23.23 C ATOM 607 CD ARG A 601 14.459 -8.120 4.734 1.00 24.40 C ATOM 608 NE ARG A 601 14.670 -8.335 6.164 1.00 11.11 N ATOM 609 CZ ARG A 601 15.434 -7.555 6.919 1.00 63.03 C ATOM 610 NH1 ARG A 601 16.058 -6.514 6.385 1.00 23.22 N ATOM 611 NH2 ARG A 601 15.577 -7.816 8.213 1.00 14.13 N ATOM 0 H ARG A 601 9.766 -7.199 5.567 1.00 31.32 H new ATOM 0 HA ARG A 601 11.432 -5.129 4.802 1.00 61.32 H new ATOM 0 HB2 ARG A 601 12.136 -7.145 6.032 1.00 14.34 H new ATOM 0 HB3 ARG A 601 11.829 -8.142 4.624 1.00 14.34 H new ATOM 0 HG2 ARG A 601 13.568 -6.697 3.396 1.00 23.23 H new ATOM 0 HG3 ARG A 601 13.986 -6.038 4.965 1.00 23.23 H new ATOM 0 HD2 ARG A 601 14.004 -9.009 4.297 1.00 24.40 H new ATOM 0 HD3 ARG A 601 15.422 -7.980 4.242 1.00 24.40 H new ATOM 0 HE ARG A 601 14.205 -9.128 6.606 1.00 11.11 H new ATOM 0 HH11 ARG A 601 15.952 -6.310 5.391 1.00 23.22 H new ATOM 0 HH12 ARG A 601 16.644 -5.917 6.968 1.00 23.22 H new ATOM 0 HH21 ARG A 601 15.100 -8.616 8.628 1.00 14.13 H new ATOM 0 HH22 ARG A 601 16.164 -7.216 8.792 1.00 14.13 H new ATOM 622 N ASP A 602 10.617 -7.106 2.280 1.00 30.13 N ATOM 623 CA ASP A 602 10.577 -7.191 0.825 1.00 1.14 C ATOM 624 C ASP A 602 9.730 -6.067 0.238 1.00 20.11 C ATOM 625 O ASP A 602 10.065 -5.502 -0.803 1.00 71.01 O ATOM 626 CB ASP A 602 10.022 -8.548 0.386 1.00 61.54 C ATOM 627 CG ASP A 602 10.662 -9.702 1.131 1.00 3.25 C ATOM 628 OD1 ASP A 602 11.776 -9.520 1.667 1.00 74.25 O ATOM 629 OD2 ASP A 602 10.051 -10.790 1.177 1.00 11.21 O ATOM 0 H ASP A 602 10.183 -7.894 2.761 1.00 30.13 H new ATOM 0 HA ASP A 602 11.596 -7.087 0.452 1.00 1.14 H new ATOM 0 HB2 ASP A 602 8.944 -8.567 0.549 1.00 61.54 H new ATOM 0 HB3 ASP A 602 10.185 -8.675 -0.684 1.00 61.54 H new ATOM 633 N VAL A 603 8.629 -5.748 0.913 1.00 33.45 N ATOM 634 CA VAL A 603 7.733 -4.691 0.458 1.00 11.14 C ATOM 635 C VAL A 603 8.472 -3.365 0.322 1.00 20.35 C ATOM 636 O VAL A 603 8.203 -2.583 -0.590 1.00 31.21 O ATOM 637 CB VAL A 603 6.547 -4.509 1.422 1.00 43.24 C ATOM 638 CG1 VAL A 603 5.849 -3.182 1.165 1.00 54.23 C ATOM 639 CG2 VAL A 603 5.571 -5.668 1.291 1.00 42.24 C ATOM 0 H VAL A 603 8.337 -6.206 1.776 1.00 33.45 H new ATOM 0 HA VAL A 603 7.355 -4.994 -0.518 1.00 11.14 H new ATOM 0 HB VAL A 603 6.929 -4.500 2.443 1.00 43.24 H new ATOM 0 HG11 VAL A 603 5.013 -3.071 1.856 1.00 54.23 H new ATOM 0 HG12 VAL A 603 6.555 -2.365 1.315 1.00 54.23 H new ATOM 0 HG13 VAL A 603 5.478 -3.158 0.140 1.00 54.23 H new ATOM 0 HG21 VAL A 603 4.739 -5.523 1.980 1.00 42.24 H new ATOM 0 HG22 VAL A 603 5.193 -5.712 0.270 1.00 42.24 H new ATOM 0 HG23 VAL A 603 6.081 -6.602 1.530 1.00 42.24 H new ATOM 649 N LYS A 604 9.407 -3.118 1.234 1.00 1.31 N ATOM 650 CA LYS A 604 10.187 -1.887 1.216 1.00 34.33 C ATOM 651 C LYS A 604 11.189 -1.895 0.066 1.00 61.30 C ATOM 652 O LYS A 604 11.410 -0.874 -0.585 1.00 1.41 O ATOM 653 CB LYS A 604 10.923 -1.706 2.545 1.00 62.24 C ATOM 654 CG LYS A 604 11.640 -0.373 2.667 1.00 64.00 C ATOM 655 CD LYS A 604 12.497 -0.312 3.920 1.00 44.42 C ATOM 656 CE LYS A 604 13.940 -0.693 3.628 1.00 63.42 C ATOM 657 NZ LYS A 604 14.087 -2.150 3.362 1.00 13.15 N ATOM 0 H LYS A 604 9.643 -3.755 1.995 1.00 1.31 H new ATOM 0 HA LYS A 604 9.500 -1.053 1.071 1.00 34.33 H new ATOM 0 HB2 LYS A 604 10.208 -1.800 3.362 1.00 62.24 H new ATOM 0 HB3 LYS A 604 11.648 -2.511 2.661 1.00 62.24 H new ATOM 0 HG2 LYS A 604 12.266 -0.214 1.789 1.00 64.00 H new ATOM 0 HG3 LYS A 604 10.908 0.434 2.687 1.00 64.00 H new ATOM 0 HD2 LYS A 604 12.463 0.695 4.337 1.00 44.42 H new ATOM 0 HD3 LYS A 604 12.088 -0.984 4.675 1.00 44.42 H new ATOM 0 HE2 LYS A 604 14.297 -0.129 2.766 1.00 63.42 H new ATOM 0 HE3 LYS A 604 14.568 -0.413 4.474 1.00 63.42 H new ATOM 0 HZ1 LYS A 604 15.082 -2.427 3.486 1.00 13.15 H new ATOM 0 HZ2 LYS A 604 13.493 -2.686 4.027 1.00 13.15 H new ATOM 0 HZ3 LYS A 604 13.789 -2.357 2.387 1.00 13.15 H new ATOM 667 N MET A 605 11.792 -3.054 -0.179 1.00 23.14 N ATOM 668 CA MET A 605 12.769 -3.194 -1.254 1.00 42.15 C ATOM 669 C MET A 605 12.094 -3.105 -2.618 1.00 61.14 C ATOM 670 O MET A 605 12.689 -2.633 -3.586 1.00 21.13 O ATOM 671 CB MET A 605 13.513 -4.526 -1.125 1.00 73.03 C ATOM 672 CG MET A 605 14.216 -4.702 0.210 1.00 50.54 C ATOM 673 SD MET A 605 15.872 -3.988 0.223 1.00 3.12 S ATOM 674 CE MET A 605 16.753 -5.159 -0.807 1.00 3.42 C ATOM 0 H MET A 605 11.622 -3.909 0.351 1.00 23.14 H new ATOM 0 HA MET A 605 13.485 -2.376 -1.170 1.00 42.15 H new ATOM 0 HB2 MET A 605 12.805 -5.343 -1.264 1.00 73.03 H new ATOM 0 HB3 MET A 605 14.248 -4.601 -1.926 1.00 73.03 H new ATOM 0 HG2 MET A 605 13.618 -4.238 0.995 1.00 50.54 H new ATOM 0 HG3 MET A 605 14.281 -5.764 0.445 1.00 50.54 H new ATOM 0 HE1 MET A 605 17.822 -5.089 -0.605 1.00 3.42 H new ATOM 0 HE2 MET A 605 16.407 -6.169 -0.587 1.00 3.42 H new ATOM 0 HE3 MET A 605 16.567 -4.932 -1.857 1.00 3.42 H new ATOM 682 N ARG A 606 10.848 -3.562 -2.687 1.00 53.03 N ATOM 683 CA ARG A 606 10.092 -3.535 -3.933 1.00 33.34 C ATOM 684 C ARG A 606 9.427 -2.176 -4.137 1.00 53.44 C ATOM 685 O ARG A 606 9.396 -1.649 -5.249 1.00 62.33 O ATOM 686 CB ARG A 606 9.033 -4.638 -3.937 1.00 1.32 C ATOM 687 CG ARG A 606 8.004 -4.492 -5.046 1.00 60.35 C ATOM 688 CD ARG A 606 7.559 -5.846 -5.576 1.00 30.44 C ATOM 689 NE ARG A 606 7.441 -5.851 -7.032 1.00 0.41 N ATOM 690 CZ ARG A 606 8.484 -5.859 -7.855 1.00 60.11 C ATOM 691 NH1 ARG A 606 9.718 -5.863 -7.366 1.00 14.41 N ATOM 692 NH2 ARG A 606 8.295 -5.864 -9.168 1.00 64.04 N ATOM 0 H ARG A 606 10.341 -3.955 -1.894 1.00 53.03 H new ATOM 0 HA ARG A 606 10.788 -3.707 -4.754 1.00 33.34 H new ATOM 0 HB2 ARG A 606 9.528 -5.604 -4.037 1.00 1.32 H new ATOM 0 HB3 ARG A 606 8.520 -4.641 -2.975 1.00 1.32 H new ATOM 0 HG2 ARG A 606 7.139 -3.945 -4.671 1.00 60.35 H new ATOM 0 HG3 ARG A 606 8.426 -3.902 -5.860 1.00 60.35 H new ATOM 0 HD2 ARG A 606 8.274 -6.609 -5.267 1.00 30.44 H new ATOM 0 HD3 ARG A 606 6.599 -6.111 -5.133 1.00 30.44 H new ATOM 0 HE ARG A 606 6.506 -5.848 -7.439 1.00 0.41 H new ATOM 0 HH11 ARG A 606 9.867 -5.860 -6.357 1.00 14.41 H new ATOM 0 HH12 ARG A 606 10.518 -5.869 -7.999 1.00 14.41 H new ATOM 0 HH21 ARG A 606 7.348 -5.862 -9.547 1.00 64.04 H new ATOM 0 HH22 ARG A 606 9.097 -5.870 -9.799 1.00 64.04 H new ATOM 703 N ALA A 607 8.894 -1.616 -3.055 1.00 13.24 N ATOM 704 CA ALA A 607 8.231 -0.320 -3.115 1.00 75.15 C ATOM 705 C ALA A 607 9.246 0.818 -3.089 1.00 62.14 C ATOM 706 O ALA A 607 9.437 1.516 -4.086 1.00 64.11 O ATOM 707 CB ALA A 607 7.247 -0.178 -1.963 1.00 35.10 C ATOM 0 H ALA A 607 8.909 -2.040 -2.127 1.00 13.24 H new ATOM 0 HA ALA A 607 7.684 -0.262 -4.056 1.00 75.15 H new ATOM 0 HB1 ALA A 607 6.758 0.795 -2.020 1.00 35.10 H new ATOM 0 HB2 ALA A 607 6.496 -0.965 -2.027 1.00 35.10 H new ATOM 0 HB3 ALA A 607 7.781 -0.261 -1.016 1.00 35.10 H new ATOM 713 N PHE A 608 9.895 1.000 -1.943 1.00 55.23 N ATOM 714 CA PHE A 608 10.889 2.055 -1.788 1.00 21.41 C ATOM 715 C PHE A 608 12.161 1.721 -2.561 1.00 65.44 C ATOM 716 O PHE A 608 12.761 0.664 -2.363 1.00 33.33 O ATOM 717 CB PHE A 608 11.218 2.261 -0.308 1.00 54.45 C ATOM 718 CG PHE A 608 10.117 2.933 0.463 1.00 50.31 C ATOM 719 CD1 PHE A 608 8.922 2.275 0.705 1.00 44.44 C ATOM 720 CD2 PHE A 608 10.276 4.222 0.943 1.00 61.24 C ATOM 721 CE1 PHE A 608 7.907 2.889 1.414 1.00 71.12 C ATOM 722 CE2 PHE A 608 9.265 4.843 1.653 1.00 4.14 C ATOM 723 CZ PHE A 608 8.079 4.175 1.888 1.00 32.13 C ATOM 0 H PHE A 608 9.750 0.431 -1.109 1.00 55.23 H new ATOM 0 HA PHE A 608 10.470 2.977 -2.192 1.00 21.41 H new ATOM 0 HB2 PHE A 608 11.431 1.294 0.147 1.00 54.45 H new ATOM 0 HB3 PHE A 608 12.126 2.859 -0.226 1.00 54.45 H new ATOM 0 HD1 PHE A 608 8.782 1.270 0.335 1.00 44.44 H new ATOM 0 HD2 PHE A 608 11.201 4.749 0.761 1.00 61.24 H new ATOM 0 HE1 PHE A 608 6.981 2.364 1.597 1.00 71.12 H new ATOM 0 HE2 PHE A 608 9.402 5.848 2.023 1.00 4.14 H new ATOM 0 HZ PHE A 608 7.287 4.658 2.442 1.00 32.13 H new ATOM 828 N TYR A 616 11.120 -0.643 8.410 1.00 32.43 N ATOM 829 CA TYR A 616 9.863 -0.923 7.728 1.00 74.40 C ATOM 830 C TYR A 616 8.696 -0.241 8.436 1.00 42.31 C ATOM 831 O TYR A 616 7.535 -0.600 8.233 1.00 32.44 O ATOM 832 CB TYR A 616 9.621 -2.431 7.657 1.00 13.52 C ATOM 833 CG TYR A 616 9.730 -3.125 8.995 1.00 3.44 C ATOM 834 CD1 TYR A 616 8.633 -3.221 9.842 1.00 63.10 C ATOM 835 CD2 TYR A 616 10.930 -3.688 9.412 1.00 24.44 C ATOM 836 CE1 TYR A 616 8.730 -3.855 11.066 1.00 71.35 C ATOM 837 CE2 TYR A 616 11.036 -4.324 10.633 1.00 2.20 C ATOM 838 CZ TYR A 616 9.932 -4.404 11.457 1.00 3.23 C ATOM 839 OH TYR A 616 10.032 -5.037 12.676 1.00 14.03 O ATOM 0 HA TYR A 616 9.932 -0.526 6.715 1.00 74.40 H new ATOM 0 HB2 TYR A 616 8.629 -2.612 7.243 1.00 13.52 H new ATOM 0 HB3 TYR A 616 10.340 -2.874 6.968 1.00 13.52 H new ATOM 0 HD1 TYR A 616 7.689 -2.793 9.539 1.00 63.10 H new ATOM 0 HD2 TYR A 616 11.796 -3.627 8.769 1.00 24.44 H new ATOM 0 HE1 TYR A 616 7.868 -3.920 11.713 1.00 71.35 H new ATOM 0 HE2 TYR A 616 11.977 -4.756 10.941 1.00 2.20 H new ATOM 0 HH TYR A 616 10.946 -5.369 12.798 1.00 14.03 H new ATOM 848 N VAL A 617 9.012 0.744 9.271 1.00 13.31 N ATOM 849 CA VAL A 617 7.992 1.477 10.009 1.00 50.35 C ATOM 850 C VAL A 617 7.181 2.377 9.082 1.00 62.23 C ATOM 851 O VAL A 617 5.975 2.546 9.263 1.00 22.34 O ATOM 852 CB VAL A 617 8.615 2.337 11.125 1.00 52.03 C ATOM 853 CG1 VAL A 617 9.599 3.339 10.541 1.00 12.21 C ATOM 854 CG2 VAL A 617 7.529 3.046 11.921 1.00 32.11 C ATOM 0 H VAL A 617 9.967 1.052 9.453 1.00 13.31 H new ATOM 0 HA VAL A 617 7.332 0.734 10.458 1.00 50.35 H new ATOM 0 HB VAL A 617 9.161 1.681 11.803 1.00 52.03 H new ATOM 0 HG11 VAL A 617 10.029 3.937 11.344 1.00 12.21 H new ATOM 0 HG12 VAL A 617 10.394 2.806 10.020 1.00 12.21 H new ATOM 0 HG13 VAL A 617 9.080 3.992 9.840 1.00 12.21 H new ATOM 0 HG21 VAL A 617 7.987 3.649 12.705 1.00 32.11 H new ATOM 0 HG22 VAL A 617 6.954 3.691 11.257 1.00 32.11 H new ATOM 0 HG23 VAL A 617 6.867 2.307 12.372 1.00 32.11 H new ATOM 864 N ASP A 618 7.853 2.951 8.090 1.00 12.34 N ATOM 865 CA ASP A 618 7.195 3.833 7.132 1.00 42.25 C ATOM 866 C ASP A 618 6.082 3.098 6.393 1.00 40.41 C ATOM 867 O ASP A 618 4.949 3.578 6.318 1.00 22.13 O ATOM 868 CB ASP A 618 8.213 4.382 6.132 1.00 34.23 C ATOM 869 CG ASP A 618 8.457 5.868 6.311 1.00 72.10 C ATOM 870 OD1 ASP A 618 9.234 6.237 7.215 1.00 25.22 O ATOM 871 OD2 ASP A 618 7.871 6.662 5.546 1.00 54.13 O ATOM 0 H ASP A 618 8.852 2.822 7.928 1.00 12.34 H new ATOM 0 HA ASP A 618 6.753 4.664 7.682 1.00 42.25 H new ATOM 0 HB2 ASP A 618 9.155 3.846 6.246 1.00 34.23 H new ATOM 0 HB3 ASP A 618 7.860 4.194 5.118 1.00 34.23 H new ATOM 875 N LEU A 619 6.409 1.932 5.847 1.00 21.32 N ATOM 876 CA LEU A 619 5.438 1.131 5.111 1.00 54.25 C ATOM 877 C LEU A 619 4.437 0.482 6.061 1.00 41.24 C ATOM 878 O LEU A 619 3.348 0.078 5.654 1.00 34.32 O ATOM 879 CB LEU A 619 6.150 0.055 4.290 1.00 22.00 C ATOM 880 CG LEU A 619 6.552 -1.211 5.048 1.00 42.22 C ATOM 881 CD1 LEU A 619 5.622 -2.361 4.696 1.00 12.20 C ATOM 882 CD2 LEU A 619 7.997 -1.578 4.743 1.00 44.21 C ATOM 0 H LEU A 619 7.341 1.520 5.900 1.00 21.32 H new ATOM 0 HA LEU A 619 4.895 1.793 4.436 1.00 54.25 H new ATOM 0 HB2 LEU A 619 5.501 -0.232 3.463 1.00 22.00 H new ATOM 0 HB3 LEU A 619 7.047 0.494 3.854 1.00 22.00 H new ATOM 0 HG LEU A 619 6.466 -1.015 6.117 1.00 42.22 H new ATOM 0 HD11 LEU A 619 5.923 -3.253 5.245 1.00 12.20 H new ATOM 0 HD12 LEU A 619 4.599 -2.097 4.965 1.00 12.20 H new ATOM 0 HD13 LEU A 619 5.676 -2.558 3.625 1.00 12.20 H new ATOM 0 HD21 LEU A 619 8.266 -2.481 5.291 1.00 44.21 H new ATOM 0 HD22 LEU A 619 8.109 -1.755 3.673 1.00 44.21 H new ATOM 0 HD23 LEU A 619 8.652 -0.761 5.046 1.00 44.21 H new ATOM 893 N LYS A 620 4.812 0.386 7.333 1.00 34.13 N ATOM 894 CA LYS A 620 3.947 -0.211 8.344 1.00 22.20 C ATOM 895 C LYS A 620 2.722 0.662 8.595 1.00 33.33 C ATOM 896 O LYS A 620 1.590 0.178 8.578 1.00 1.21 O ATOM 897 CB LYS A 620 4.719 -0.412 9.650 1.00 5.22 C ATOM 898 CG LYS A 620 3.935 -1.168 10.709 1.00 71.32 C ATOM 899 CD LYS A 620 3.287 -0.220 11.705 1.00 23.31 C ATOM 900 CE LYS A 620 4.247 0.151 12.825 1.00 64.04 C ATOM 901 NZ LYS A 620 4.631 -1.034 13.642 1.00 61.01 N ATOM 0 H LYS A 620 5.710 0.714 7.688 1.00 34.13 H new ATOM 0 HA LYS A 620 3.612 -1.180 7.974 1.00 22.20 H new ATOM 0 HB2 LYS A 620 5.641 -0.952 9.438 1.00 5.22 H new ATOM 0 HB3 LYS A 620 5.005 0.562 10.047 1.00 5.22 H new ATOM 0 HG2 LYS A 620 3.167 -1.775 10.230 1.00 71.32 H new ATOM 0 HG3 LYS A 620 4.600 -1.852 11.236 1.00 71.32 H new ATOM 0 HD2 LYS A 620 2.960 0.683 11.190 1.00 23.31 H new ATOM 0 HD3 LYS A 620 2.397 -0.686 12.127 1.00 23.31 H new ATOM 0 HE2 LYS A 620 5.142 0.605 12.400 1.00 64.04 H new ATOM 0 HE3 LYS A 620 3.784 0.900 13.467 1.00 64.04 H new ATOM 0 HZ1 LYS A 620 4.895 -0.725 14.599 1.00 61.01 H new ATOM 0 HZ2 LYS A 620 3.827 -1.691 13.700 1.00 61.01 H new ATOM 0 HZ3 LYS A 620 5.439 -1.515 13.198 1.00 61.01 H new ATOM 911 N ASP A 621 2.955 1.949 8.826 1.00 72.34 N ATOM 912 CA ASP A 621 1.869 2.890 9.078 1.00 3.51 C ATOM 913 C ASP A 621 1.083 3.166 7.801 1.00 14.43 C ATOM 914 O ASP A 621 -0.126 3.396 7.840 1.00 54.11 O ATOM 915 CB ASP A 621 2.421 4.198 9.645 1.00 62.22 C ATOM 916 CG ASP A 621 3.139 4.000 10.965 1.00 0.04 C ATOM 917 OD1 ASP A 621 2.482 3.583 11.942 1.00 75.41 O ATOM 918 OD2 ASP A 621 4.359 4.261 11.022 1.00 21.23 O ATOM 0 H ASP A 621 3.886 2.365 8.844 1.00 72.34 H new ATOM 0 HA ASP A 621 1.195 2.443 9.808 1.00 3.51 H new ATOM 0 HB2 ASP A 621 3.108 4.642 8.924 1.00 62.22 H new ATOM 0 HB3 ASP A 621 1.603 4.905 9.782 1.00 62.22 H new ATOM 922 N LYS A 622 1.777 3.143 6.668 1.00 14.32 N ATOM 923 CA LYS A 622 1.144 3.390 5.377 1.00 13.22 C ATOM 924 C LYS A 622 0.148 2.286 5.038 1.00 23.13 C ATOM 925 O LYS A 622 -0.934 2.553 4.517 1.00 53.21 O ATOM 926 CB LYS A 622 2.204 3.491 4.277 1.00 43.33 C ATOM 927 CG LYS A 622 1.625 3.737 2.896 1.00 1.44 C ATOM 928 CD LYS A 622 0.889 5.064 2.827 1.00 1.31 C ATOM 929 CE LYS A 622 1.612 6.057 1.929 1.00 42.03 C ATOM 930 NZ LYS A 622 1.795 5.527 0.550 1.00 44.53 N ATOM 0 H LYS A 622 2.778 2.956 6.617 1.00 14.32 H new ATOM 0 HA LYS A 622 0.604 4.335 5.441 1.00 13.22 H new ATOM 0 HB2 LYS A 622 2.894 4.299 4.522 1.00 43.33 H new ATOM 0 HB3 LYS A 622 2.786 2.569 4.259 1.00 43.33 H new ATOM 0 HG2 LYS A 622 2.427 3.726 2.157 1.00 1.44 H new ATOM 0 HG3 LYS A 622 0.942 2.928 2.638 1.00 1.44 H new ATOM 0 HD2 LYS A 622 -0.122 4.902 2.452 1.00 1.31 H new ATOM 0 HD3 LYS A 622 0.794 5.481 3.830 1.00 1.31 H new ATOM 0 HE2 LYS A 622 1.047 6.988 1.888 1.00 42.03 H new ATOM 0 HE3 LYS A 622 2.585 6.294 2.359 1.00 42.03 H new ATOM 0 HZ1 LYS A 622 1.851 6.319 -0.122 1.00 44.53 H new ATOM 0 HZ2 LYS A 622 2.673 4.972 0.505 1.00 44.53 H new ATOM 0 HZ3 LYS A 622 0.988 4.919 0.302 1.00 44.53 H new ATOM 940 N TRP A 623 0.520 1.047 5.339 1.00 72.22 N ATOM 941 CA TRP A 623 -0.342 -0.097 5.068 1.00 13.14 C ATOM 942 C TRP A 623 -1.521 -0.131 6.032 1.00 51.35 C ATOM 943 O TRP A 623 -2.662 -0.361 5.628 1.00 4.40 O ATOM 944 CB TRP A 623 0.455 -1.399 5.171 1.00 54.24 C ATOM 945 CG TRP A 623 -0.269 -2.482 5.911 1.00 52.04 C ATOM 946 CD1 TRP A 623 -1.385 -3.152 5.498 1.00 72.10 C ATOM 947 CD2 TRP A 623 0.071 -3.018 7.195 1.00 50.04 C ATOM 948 NE1 TRP A 623 -1.759 -4.073 6.447 1.00 53.14 N ATOM 949 CE2 TRP A 623 -0.882 -4.010 7.497 1.00 21.11 C ATOM 950 CE3 TRP A 623 1.088 -2.758 8.117 1.00 73.41 C ATOM 951 CZ2 TRP A 623 -0.846 -4.740 8.683 1.00 22.55 C ATOM 952 CZ3 TRP A 623 1.122 -3.482 9.293 1.00 1.55 C ATOM 953 CH2 TRP A 623 0.162 -4.465 9.567 1.00 75.12 C ATOM 0 H TRP A 623 1.413 0.809 5.771 1.00 72.22 H new ATOM 0 HA TRP A 623 -0.729 0.004 4.054 1.00 13.14 H new ATOM 0 HB2 TRP A 623 0.693 -1.751 4.167 1.00 54.24 H new ATOM 0 HB3 TRP A 623 1.402 -1.198 5.671 1.00 54.24 H new ATOM 0 HD1 TRP A 623 -1.898 -2.983 4.563 1.00 72.10 H new ATOM 0 HE1 TRP A 623 -2.560 -4.701 6.380 1.00 53.14 H new ATOM 0 HE3 TRP A 623 1.834 -2.004 7.914 1.00 73.41 H new ATOM 0 HZ2 TRP A 623 -1.587 -5.496 8.897 1.00 22.55 H new ATOM 0 HZ3 TRP A 623 1.902 -3.287 10.014 1.00 1.55 H new ATOM 0 HH2 TRP A 623 0.219 -5.016 10.494 1.00 75.12 H new ATOM 963 N LYS A 624 -1.242 0.100 7.311 1.00 12.31 N ATOM 964 CA LYS A 624 -2.280 0.097 8.334 1.00 72.44 C ATOM 965 C LYS A 624 -3.444 0.996 7.931 1.00 72.14 C ATOM 966 O LYS A 624 -4.610 0.612 8.047 1.00 25.25 O ATOM 967 CB LYS A 624 -1.705 0.562 9.675 1.00 32.33 C ATOM 968 CG LYS A 624 -2.377 -0.074 10.879 1.00 53.51 C ATOM 969 CD LYS A 624 -3.524 0.781 11.393 1.00 65.32 C ATOM 970 CE LYS A 624 -3.927 0.382 12.805 1.00 4.24 C ATOM 971 NZ LYS A 624 -2.806 0.549 13.770 1.00 51.21 N ATOM 0 H LYS A 624 -0.304 0.292 7.663 1.00 12.31 H new ATOM 0 HA LYS A 624 -2.650 -0.923 8.437 1.00 72.44 H new ATOM 0 HB2 LYS A 624 -0.639 0.334 9.702 1.00 32.33 H new ATOM 0 HB3 LYS A 624 -1.802 1.645 9.746 1.00 32.33 H new ATOM 0 HG2 LYS A 624 -2.751 -1.062 10.609 1.00 53.51 H new ATOM 0 HG3 LYS A 624 -1.644 -0.217 11.673 1.00 53.51 H new ATOM 0 HD2 LYS A 624 -3.231 1.831 11.380 1.00 65.32 H new ATOM 0 HD3 LYS A 624 -4.381 0.681 10.727 1.00 65.32 H new ATOM 0 HE2 LYS A 624 -4.775 0.987 13.125 1.00 4.24 H new ATOM 0 HE3 LYS A 624 -4.257 -0.657 12.808 1.00 4.24 H new ATOM 0 HZ1 LYS A 624 -3.189 0.669 14.730 1.00 51.21 H new ATOM 0 HZ2 LYS A 624 -2.196 -0.293 13.743 1.00 51.21 H new ATOM 0 HZ3 LYS A 624 -2.249 1.388 13.513 1.00 51.21 H new ATOM 981 N THR A 625 -3.123 2.195 7.454 1.00 34.11 N ATOM 982 CA THR A 625 -4.143 3.148 7.032 1.00 23.23 C ATOM 983 C THR A 625 -4.752 2.745 5.694 1.00 42.11 C ATOM 984 O THR A 625 -5.953 2.908 5.474 1.00 15.22 O ATOM 985 CB THR A 625 -3.566 4.572 6.913 1.00 4.45 C ATOM 986 OG1 THR A 625 -4.590 5.482 6.495 1.00 4.22 O ATOM 987 CG2 THR A 625 -2.414 4.606 5.921 1.00 30.41 C ATOM 0 H THR A 625 -2.165 2.529 7.350 1.00 34.11 H new ATOM 0 HA THR A 625 -4.919 3.141 7.798 1.00 23.23 H new ATOM 0 HB THR A 625 -3.192 4.873 7.892 1.00 4.45 H new ATOM 0 HG1 THR A 625 -4.216 6.385 6.423 1.00 4.22 H new ATOM 0 HG21 THR A 625 -2.022 5.621 5.853 1.00 30.41 H new ATOM 0 HG22 THR A 625 -1.624 3.934 6.257 1.00 30.41 H new ATOM 0 HG23 THR A 625 -2.768 4.288 4.941 1.00 30.41 H new ATOM 995 N LEU A 626 -3.919 2.218 4.804 1.00 25.52 N ATOM 996 CA LEU A 626 -4.376 1.791 3.486 1.00 43.21 C ATOM 997 C LEU A 626 -5.530 0.801 3.606 1.00 72.20 C ATOM 998 O LEU A 626 -6.601 1.007 3.033 1.00 64.31 O ATOM 999 CB LEU A 626 -3.223 1.156 2.707 1.00 12.31 C ATOM 1000 CG LEU A 626 -2.942 1.747 1.324 1.00 73.43 C ATOM 1001 CD1 LEU A 626 -1.760 1.046 0.674 1.00 24.01 C ATOM 1002 CD2 LEU A 626 -4.177 1.646 0.440 1.00 61.01 C ATOM 0 H LEU A 626 -2.923 2.076 4.971 1.00 25.52 H new ATOM 0 HA LEU A 626 -4.730 2.670 2.947 1.00 43.21 H new ATOM 0 HB2 LEU A 626 -2.317 1.239 3.307 1.00 12.31 H new ATOM 0 HB3 LEU A 626 -3.432 0.093 2.590 1.00 12.31 H new ATOM 0 HG LEU A 626 -2.691 2.801 1.444 1.00 73.43 H new ATOM 0 HD11 LEU A 626 -1.575 1.480 -0.309 1.00 24.01 H new ATOM 0 HD12 LEU A 626 -0.875 1.171 1.298 1.00 24.01 H new ATOM 0 HD13 LEU A 626 -1.981 -0.016 0.566 1.00 24.01 H new ATOM 0 HD21 LEU A 626 -3.959 2.071 -0.540 1.00 61.01 H new ATOM 0 HD22 LEU A 626 -4.459 0.599 0.327 1.00 61.01 H new ATOM 0 HD23 LEU A 626 -4.999 2.195 0.899 1.00 61.01 H new ATOM 1013 N VAL A 627 -5.307 -0.274 4.355 1.00 22.21 N ATOM 1014 CA VAL A 627 -6.329 -1.295 4.552 1.00 72.04 C ATOM 1015 C VAL A 627 -7.556 -0.716 5.248 1.00 64.34 C ATOM 1016 O VAL A 627 -8.676 -0.830 4.751 1.00 51.31 O ATOM 1017 CB VAL A 627 -5.791 -2.476 5.381 1.00 23.31 C ATOM 1018 CG1 VAL A 627 -6.880 -3.514 5.600 1.00 42.33 C ATOM 1019 CG2 VAL A 627 -4.580 -3.096 4.701 1.00 32.13 C ATOM 0 H VAL A 627 -4.427 -0.460 4.836 1.00 22.21 H new ATOM 0 HA VAL A 627 -6.612 -1.655 3.563 1.00 72.04 H new ATOM 0 HB VAL A 627 -5.479 -2.101 6.356 1.00 23.31 H new ATOM 0 HG11 VAL A 627 -6.481 -4.341 6.188 1.00 42.33 H new ATOM 0 HG12 VAL A 627 -7.714 -3.059 6.133 1.00 42.33 H new ATOM 0 HG13 VAL A 627 -7.226 -3.887 4.636 1.00 42.33 H new ATOM 0 HG21 VAL A 627 -4.213 -3.929 5.301 1.00 32.13 H new ATOM 0 HG22 VAL A 627 -4.863 -3.457 3.712 1.00 32.13 H new ATOM 0 HG23 VAL A 627 -3.795 -2.346 4.602 1.00 32.13 H new ATOM 1029 N HIS A 628 -7.336 -0.095 6.403 1.00 72.43 N ATOM 1030 CA HIS A 628 -8.424 0.503 7.168 1.00 73.45 C ATOM 1031 C HIS A 628 -9.230 1.468 6.304 1.00 15.21 C ATOM 1032 O HIS A 628 -10.415 1.699 6.551 1.00 22.41 O ATOM 1033 CB HIS A 628 -7.872 1.237 8.391 1.00 62.23 C ATOM 1034 CG HIS A 628 -7.400 0.320 9.477 1.00 72.24 C ATOM 1035 ND1 HIS A 628 -7.626 0.560 10.816 1.00 71.11 N ATOM 1036 CD2 HIS A 628 -6.712 -0.844 9.416 1.00 21.43 C ATOM 1037 CE1 HIS A 628 -7.095 -0.416 11.532 1.00 35.41 C ATOM 1038 NE2 HIS A 628 -6.535 -1.281 10.705 1.00 24.20 N ATOM 0 H HIS A 628 -6.415 0.007 6.829 1.00 72.43 H new ATOM 0 HA HIS A 628 -9.084 -0.298 7.500 1.00 73.45 H new ATOM 0 HB2 HIS A 628 -7.044 1.874 8.079 1.00 62.23 H new ATOM 0 HB3 HIS A 628 -8.646 1.893 8.791 1.00 62.23 H new ATOM 0 HD2 HIS A 628 -6.366 -1.337 8.520 1.00 21.43 H new ATOM 0 HE1 HIS A 628 -7.115 -0.493 12.609 1.00 35.41 H new ATOM 0 HE2 HIS A 628 -6.050 -2.135 10.980 1.00 24.20 H new ATOM 1045 N THR A 629 -8.582 2.028 5.287 1.00 11.42 N ATOM 1046 CA THR A 629 -9.238 2.968 4.386 1.00 41.42 C ATOM 1047 C THR A 629 -10.110 2.239 3.371 1.00 32.14 C ATOM 1048 O THR A 629 -11.122 2.769 2.913 1.00 21.11 O ATOM 1049 CB THR A 629 -8.211 3.836 3.635 1.00 60.12 C ATOM 1050 OG1 THR A 629 -7.542 4.707 4.554 1.00 30.44 O ATOM 1051 CG2 THR A 629 -8.889 4.658 2.551 1.00 35.44 C ATOM 0 H THR A 629 -7.603 1.847 5.067 1.00 11.42 H new ATOM 0 HA THR A 629 -9.865 3.612 5.003 1.00 41.42 H new ATOM 0 HB THR A 629 -7.482 3.175 3.165 1.00 60.12 H new ATOM 0 HG1 THR A 629 -6.937 4.183 5.119 1.00 30.44 H new ATOM 0 HG21 THR A 629 -8.144 5.263 2.034 1.00 35.44 H new ATOM 0 HG22 THR A 629 -9.373 3.991 1.838 1.00 35.44 H new ATOM 0 HG23 THR A 629 -9.636 5.310 3.003 1.00 35.44 H new ATOM 1059 N ALA A 630 -9.712 1.019 3.024 1.00 35.45 N ATOM 1060 CA ALA A 630 -10.459 0.216 2.063 1.00 70.14 C ATOM 1061 C ALA A 630 -11.927 0.109 2.462 1.00 44.34 C ATOM 1062 O ALA A 630 -12.820 0.342 1.649 1.00 54.42 O ATOM 1063 CB ALA A 630 -9.841 -1.168 1.938 1.00 73.31 C ATOM 0 H ALA A 630 -8.877 0.565 3.394 1.00 35.45 H new ATOM 0 HA ALA A 630 -10.408 0.712 1.094 1.00 70.14 H new ATOM 0 HB1 ALA A 630 -10.409 -1.756 1.217 1.00 73.31 H new ATOM 0 HB2 ALA A 630 -8.809 -1.076 1.599 1.00 73.31 H new ATOM 0 HB3 ALA A 630 -9.861 -1.665 2.908 1.00 73.31 H new ATOM 1069 N SER A 631 -12.169 -0.247 3.720 1.00 4.32 N ATOM 1070 CA SER A 631 -13.529 -0.390 4.226 1.00 5.32 C ATOM 1071 C SER A 631 -13.530 -1.052 5.602 1.00 32.41 C ATOM 1072 O SER A 631 -13.998 -2.179 5.760 1.00 61.00 O ATOM 1073 CB SER A 631 -14.374 -1.214 3.252 1.00 64.42 C ATOM 1074 OG SER A 631 -15.152 -0.374 2.417 1.00 41.22 O ATOM 0 H SER A 631 -11.441 -0.442 4.407 1.00 4.32 H new ATOM 0 HA SER A 631 -13.962 0.606 4.320 1.00 5.32 H new ATOM 0 HB2 SER A 631 -13.724 -1.839 2.640 1.00 64.42 H new ATOM 0 HB3 SER A 631 -15.028 -1.884 3.810 1.00 64.42 H new ATOM 0 HG SER A 631 -14.569 0.076 1.771 1.00 41.22 H new ATOM 1079 N ILE A 632 -13.002 -0.341 6.593 1.00 72.31 N ATOM 1080 CA ILE A 632 -12.943 -0.857 7.955 1.00 31.34 C ATOM 1081 C ILE A 632 -13.535 0.140 8.946 1.00 5.21 C ATOM 1082 O ILE A 632 -14.650 -0.042 9.433 1.00 72.04 O ATOM 1083 CB ILE A 632 -11.496 -1.181 8.371 1.00 72.12 C ATOM 1084 CG1 ILE A 632 -11.000 -2.431 7.642 1.00 35.32 C ATOM 1085 CG2 ILE A 632 -11.409 -1.371 9.878 1.00 63.35 C ATOM 1086 CD1 ILE A 632 -10.713 -2.199 6.174 1.00 62.10 C ATOM 0 H ILE A 632 -12.609 0.593 6.478 1.00 72.31 H new ATOM 0 HA ILE A 632 -13.531 -1.775 7.972 1.00 31.34 H new ATOM 0 HB ILE A 632 -10.857 -0.343 8.092 1.00 72.12 H new ATOM 0 HG12 ILE A 632 -10.094 -2.790 8.129 1.00 35.32 H new ATOM 0 HG13 ILE A 632 -11.747 -3.219 7.738 1.00 35.32 H new ATOM 0 HG21 ILE A 632 -10.380 -1.599 10.157 1.00 63.35 H new ATOM 0 HG22 ILE A 632 -11.726 -0.456 10.379 1.00 63.35 H new ATOM 0 HG23 ILE A 632 -12.058 -2.193 10.179 1.00 63.35 H new ATOM 0 HD11 ILE A 632 -10.365 -3.127 5.720 1.00 62.10 H new ATOM 0 HD12 ILE A 632 -11.623 -1.869 5.673 1.00 62.10 H new ATOM 0 HD13 ILE A 632 -9.944 -1.434 6.070 1.00 62.10 H new ATOM 1097 N ALA A 633 -12.780 1.194 9.239 1.00 22.03 N ATOM 1098 CA ALA A 633 -13.230 2.222 10.169 1.00 44.52 C ATOM 1099 C ALA A 633 -13.706 3.464 9.426 1.00 15.11 C ATOM 1100 O ALA A 633 -13.177 3.830 8.377 1.00 63.51 O ATOM 1101 CB ALA A 633 -12.115 2.580 11.140 1.00 62.33 C ATOM 0 H ALA A 633 -11.853 1.358 8.845 1.00 22.03 H new ATOM 0 HA ALA A 633 -14.073 1.823 10.733 1.00 44.52 H new ATOM 0 HB1 ALA A 633 -12.465 3.349 11.829 1.00 62.33 H new ATOM 0 HB2 ALA A 633 -11.825 1.693 11.703 1.00 62.33 H new ATOM 0 HB3 ALA A 633 -11.255 2.955 10.585 1.00 62.33 H new ATOM 1210 N PRO A 641 -9.463 11.976 -1.554 1.00 31.51 N ATOM 1211 CA PRO A 641 -10.070 10.942 -2.396 1.00 11.31 C ATOM 1212 C PRO A 641 -9.101 9.807 -2.710 1.00 31.45 C ATOM 1213 O PRO A 641 -8.029 10.030 -3.274 1.00 73.30 O ATOM 1214 CB PRO A 641 -10.442 11.698 -3.674 1.00 63.03 C ATOM 1215 CG PRO A 641 -9.500 12.851 -3.719 1.00 30.52 C ATOM 1216 CD PRO A 641 -9.246 13.234 -2.287 1.00 21.14 C ATOM 0 HA PRO A 641 -10.918 10.463 -1.906 1.00 11.31 H new ATOM 0 HB2 PRO A 641 -10.335 11.064 -4.554 1.00 63.03 H new ATOM 0 HB3 PRO A 641 -11.479 12.034 -3.648 1.00 63.03 H new ATOM 0 HG2 PRO A 641 -8.572 12.577 -4.220 1.00 30.52 H new ATOM 0 HG3 PRO A 641 -9.929 13.684 -4.276 1.00 30.52 H new ATOM 0 HD2 PRO A 641 -8.233 13.612 -2.146 1.00 21.14 H new ATOM 0 HD3 PRO A 641 -9.928 14.016 -1.953 1.00 21.14 H new ATOM 1221 N VAL A 642 -9.485 8.588 -2.345 1.00 73.34 N ATOM 1222 CA VAL A 642 -8.650 7.418 -2.589 1.00 21.13 C ATOM 1223 C VAL A 642 -9.215 6.568 -3.722 1.00 1.44 C ATOM 1224 O VAL A 642 -10.424 6.365 -3.837 1.00 32.43 O ATOM 1225 CB VAL A 642 -8.519 6.547 -1.325 1.00 55.10 C ATOM 1226 CG1 VAL A 642 -8.127 7.400 -0.128 1.00 72.33 C ATOM 1227 CG2 VAL A 642 -9.816 5.800 -1.057 1.00 43.21 C ATOM 0 H VAL A 642 -10.369 8.385 -1.879 1.00 73.34 H new ATOM 0 HA VAL A 642 -7.663 7.786 -2.870 1.00 21.13 H new ATOM 0 HB VAL A 642 -7.731 5.812 -1.490 1.00 55.10 H new ATOM 0 HG11 VAL A 642 -8.039 6.768 0.756 1.00 72.33 H new ATOM 0 HG12 VAL A 642 -7.171 7.885 -0.324 1.00 72.33 H new ATOM 0 HG13 VAL A 642 -8.890 8.159 0.043 1.00 72.33 H new ATOM 0 HG21 VAL A 642 -9.706 5.190 -0.161 1.00 43.21 H new ATOM 0 HG22 VAL A 642 -10.625 6.516 -0.911 1.00 43.21 H new ATOM 0 HG23 VAL A 642 -10.048 5.158 -1.907 1.00 43.21 H new ATOM 1237 N PRO A 643 -8.320 6.057 -4.581 1.00 41.20 N ATOM 1238 CA PRO A 643 -8.705 5.218 -5.720 1.00 52.11 C ATOM 1239 C PRO A 643 -9.217 3.850 -5.286 1.00 43.23 C ATOM 1240 O PRO A 643 -8.567 3.152 -4.508 1.00 45.13 O ATOM 1241 CB PRO A 643 -7.403 5.075 -6.512 1.00 70.53 C ATOM 1242 CG PRO A 643 -6.323 5.271 -5.504 1.00 2.41 C ATOM 1243 CD PRO A 643 -6.863 6.257 -4.504 1.00 21.05 C ATOM 0 HA PRO A 643 -9.522 5.658 -6.292 1.00 52.11 H new ATOM 0 HB2 PRO A 643 -7.332 4.095 -6.983 1.00 70.53 H new ATOM 0 HB3 PRO A 643 -7.341 5.817 -7.308 1.00 70.53 H new ATOM 0 HG2 PRO A 643 -6.064 4.329 -5.022 1.00 2.41 H new ATOM 0 HG3 PRO A 643 -5.415 5.649 -5.974 1.00 2.41 H new ATOM 0 HD2 PRO A 643 -6.483 6.062 -3.501 1.00 21.05 H new ATOM 0 HD3 PRO A 643 -6.584 7.280 -4.757 1.00 21.05 H new ATOM 1248 N GLN A 644 -10.386 3.472 -5.793 1.00 53.33 N ATOM 1249 CA GLN A 644 -10.984 2.185 -5.457 1.00 74.42 C ATOM 1250 C GLN A 644 -10.137 1.035 -5.989 1.00 65.01 C ATOM 1251 O GLN A 644 -10.277 -0.107 -5.549 1.00 2.11 O ATOM 1252 CB GLN A 644 -12.402 2.094 -6.024 1.00 61.35 C ATOM 1253 CG GLN A 644 -13.180 0.886 -5.528 1.00 61.42 C ATOM 1254 CD GLN A 644 -14.609 0.865 -6.033 1.00 3.21 C ATOM 1255 OE1 GLN A 644 -15.224 1.912 -6.237 1.00 2.04 O ATOM 1256 NE2 GLN A 644 -15.147 -0.333 -6.236 1.00 34.45 N ATOM 0 H GLN A 644 -10.938 4.038 -6.438 1.00 53.33 H new ATOM 0 HA GLN A 644 -11.028 2.107 -4.371 1.00 74.42 H new ATOM 0 HB2 GLN A 644 -12.948 3.000 -5.761 1.00 61.35 H new ATOM 0 HB3 GLN A 644 -12.348 2.059 -7.112 1.00 61.35 H new ATOM 0 HG2 GLN A 644 -12.672 -0.024 -5.847 1.00 61.42 H new ATOM 0 HG3 GLN A 644 -13.184 0.883 -4.438 1.00 61.42 H new ATOM 0 HE21 GLN A 644 -14.601 -1.175 -6.054 1.00 34.45 H new ATOM 0 HE22 GLN A 644 -16.106 -0.411 -6.574 1.00 34.45 H new ATOM 1263 N ASP A 645 -9.259 1.342 -6.937 1.00 52.32 N ATOM 1264 CA ASP A 645 -8.389 0.334 -7.530 1.00 4.21 C ATOM 1265 C ASP A 645 -7.377 -0.179 -6.508 1.00 52.24 C ATOM 1266 O ASP A 645 -7.123 -1.381 -6.421 1.00 22.30 O ATOM 1267 CB ASP A 645 -7.658 0.909 -8.744 1.00 44.13 C ATOM 1268 CG ASP A 645 -7.266 -0.161 -9.744 1.00 71.41 C ATOM 1269 OD1 ASP A 645 -7.979 -1.182 -9.830 1.00 60.42 O ATOM 1270 OD2 ASP A 645 -6.245 0.024 -10.440 1.00 1.13 O ATOM 0 H ASP A 645 -9.131 2.282 -7.312 1.00 52.32 H new ATOM 0 HA ASP A 645 -9.010 -0.502 -7.852 1.00 4.21 H new ATOM 0 HB2 ASP A 645 -8.296 1.644 -9.234 1.00 44.13 H new ATOM 0 HB3 ASP A 645 -6.764 1.435 -8.410 1.00 44.13 H new ATOM 1274 N LEU A 646 -6.805 0.740 -5.739 1.00 65.14 N ATOM 1275 CA LEU A 646 -5.820 0.380 -4.723 1.00 73.45 C ATOM 1276 C LEU A 646 -6.485 -0.323 -3.545 1.00 54.44 C ATOM 1277 O LEU A 646 -6.083 -1.420 -3.156 1.00 52.34 O ATOM 1278 CB LEU A 646 -5.083 1.629 -4.236 1.00 64.41 C ATOM 1279 CG LEU A 646 -4.368 2.450 -5.312 1.00 45.35 C ATOM 1280 CD1 LEU A 646 -3.598 3.600 -4.681 1.00 0.51 C ATOM 1281 CD2 LEU A 646 -3.437 1.563 -6.126 1.00 71.23 C ATOM 0 H LEU A 646 -7.005 1.738 -5.798 1.00 65.14 H new ATOM 0 HA LEU A 646 -5.103 -0.306 -5.174 1.00 73.45 H new ATOM 0 HB2 LEU A 646 -5.800 2.276 -3.731 1.00 64.41 H new ATOM 0 HB3 LEU A 646 -4.348 1.325 -3.491 1.00 64.41 H new ATOM 0 HG LEU A 646 -5.118 2.868 -5.984 1.00 45.35 H new ATOM 0 HD11 LEU A 646 -3.096 4.173 -5.461 1.00 0.51 H new ATOM 0 HD12 LEU A 646 -4.289 4.248 -4.142 1.00 0.51 H new ATOM 0 HD13 LEU A 646 -2.856 3.204 -3.987 1.00 0.51 H new ATOM 0 HD21 LEU A 646 -2.936 2.162 -6.887 1.00 71.23 H new ATOM 0 HD22 LEU A 646 -2.692 1.116 -5.468 1.00 71.23 H new ATOM 0 HD23 LEU A 646 -4.015 0.774 -6.608 1.00 71.23 H new ATOM 1292 N LEU A 647 -7.506 0.314 -2.981 1.00 11.34 N ATOM 1293 CA LEU A 647 -8.229 -0.252 -1.848 1.00 74.11 C ATOM 1294 C LEU A 647 -8.678 -1.679 -2.146 1.00 14.31 C ATOM 1295 O LEU A 647 -8.423 -2.597 -1.367 1.00 24.43 O ATOM 1296 CB LEU A 647 -9.442 0.615 -1.507 1.00 70.44 C ATOM 1297 CG LEU A 647 -9.138 2.035 -1.026 1.00 24.34 C ATOM 1298 CD1 LEU A 647 -10.410 2.723 -0.556 1.00 60.53 C ATOM 1299 CD2 LEU A 647 -8.099 2.011 0.086 1.00 13.41 C ATOM 0 H LEU A 647 -7.851 1.223 -3.290 1.00 11.34 H new ATOM 0 HA LEU A 647 -7.554 -0.274 -0.993 1.00 74.11 H new ATOM 0 HB2 LEU A 647 -10.077 0.680 -2.391 1.00 70.44 H new ATOM 0 HB3 LEU A 647 -10.021 0.108 -0.735 1.00 70.44 H new ATOM 0 HG LEU A 647 -8.731 2.602 -1.863 1.00 24.34 H new ATOM 0 HD11 LEU A 647 -10.174 3.732 -0.218 1.00 60.53 H new ATOM 0 HD12 LEU A 647 -11.122 2.774 -1.380 1.00 60.53 H new ATOM 0 HD13 LEU A 647 -10.847 2.157 0.267 1.00 60.53 H new ATOM 0 HD21 LEU A 647 -7.895 3.030 0.416 1.00 13.41 H new ATOM 0 HD22 LEU A 647 -8.477 1.427 0.925 1.00 13.41 H new ATOM 0 HD23 LEU A 647 -7.179 1.559 -0.285 1.00 13.41 H new ATOM 1310 N ASP A 648 -9.347 -1.858 -3.280 1.00 55.44 N ATOM 1311 CA ASP A 648 -9.830 -3.174 -3.684 1.00 23.50 C ATOM 1312 C ASP A 648 -8.680 -4.173 -3.761 1.00 4.24 C ATOM 1313 O ASP A 648 -8.816 -5.324 -3.347 1.00 2.42 O ATOM 1314 CB ASP A 648 -10.539 -3.088 -5.035 1.00 33.25 C ATOM 1315 CG ASP A 648 -11.240 -4.380 -5.405 1.00 43.31 C ATOM 1316 OD1 ASP A 648 -11.851 -5.001 -4.510 1.00 73.43 O ATOM 1317 OD2 ASP A 648 -11.176 -4.773 -6.589 1.00 24.13 O ATOM 0 H ASP A 648 -9.567 -1.108 -3.936 1.00 55.44 H new ATOM 0 HA ASP A 648 -10.540 -3.521 -2.933 1.00 23.50 H new ATOM 0 HB2 ASP A 648 -11.268 -2.278 -5.009 1.00 33.25 H new ATOM 0 HB3 ASP A 648 -9.812 -2.838 -5.808 1.00 33.25 H new ATOM 1321 N ARG A 649 -7.548 -3.726 -4.295 1.00 31.02 N ATOM 1322 CA ARG A 649 -6.376 -4.581 -4.430 1.00 4.12 C ATOM 1323 C ARG A 649 -5.827 -4.971 -3.060 1.00 34.22 C ATOM 1324 O ARG A 649 -5.421 -6.112 -2.844 1.00 41.40 O ATOM 1325 CB ARG A 649 -5.291 -3.873 -5.242 1.00 30.14 C ATOM 1326 CG ARG A 649 -5.547 -3.884 -6.741 1.00 51.42 C ATOM 1327 CD ARG A 649 -5.373 -5.277 -7.325 1.00 2.34 C ATOM 1328 NE ARG A 649 -4.184 -5.374 -8.167 1.00 61.54 N ATOM 1329 CZ ARG A 649 -3.848 -6.467 -8.843 1.00 44.25 C ATOM 1330 NH1 ARG A 649 -4.609 -7.551 -8.776 1.00 22.23 N ATOM 1331 NH2 ARG A 649 -2.750 -6.477 -9.587 1.00 64.01 N ATOM 0 H ARG A 649 -7.418 -2.775 -4.641 1.00 31.02 H new ATOM 0 HA ARG A 649 -6.678 -5.488 -4.954 1.00 4.12 H new ATOM 0 HB2 ARG A 649 -5.211 -2.840 -4.903 1.00 30.14 H new ATOM 0 HB3 ARG A 649 -4.331 -4.349 -5.042 1.00 30.14 H new ATOM 0 HG2 ARG A 649 -6.557 -3.528 -6.941 1.00 51.42 H new ATOM 0 HG3 ARG A 649 -4.862 -3.194 -7.233 1.00 51.42 H new ATOM 0 HD2 ARG A 649 -5.304 -6.003 -6.515 1.00 2.34 H new ATOM 0 HD3 ARG A 649 -6.254 -5.537 -7.911 1.00 2.34 H new ATOM 0 HE ARG A 649 -3.578 -4.557 -8.240 1.00 61.54 H new ATOM 0 HH11 ARG A 649 -5.454 -7.546 -8.205 1.00 22.23 H new ATOM 0 HH12 ARG A 649 -4.349 -8.389 -9.296 1.00 22.23 H new ATOM 0 HH21 ARG A 649 -2.163 -5.645 -9.640 1.00 64.01 H new ATOM 0 HH22 ARG A 649 -2.493 -7.317 -10.106 1.00 64.01 H new ATOM 1342 N VAL A 650 -5.817 -4.013 -2.138 1.00 54.03 N ATOM 1343 CA VAL A 650 -5.319 -4.255 -0.789 1.00 2.20 C ATOM 1344 C VAL A 650 -6.143 -5.327 -0.084 1.00 62.31 C ATOM 1345 O VAL A 650 -5.604 -6.326 0.395 1.00 11.12 O ATOM 1346 CB VAL A 650 -5.339 -2.968 0.056 1.00 32.01 C ATOM 1347 CG1 VAL A 650 -4.846 -3.248 1.467 1.00 41.55 C ATOM 1348 CG2 VAL A 650 -4.501 -1.884 -0.605 1.00 23.12 C ATOM 0 H VAL A 650 -6.148 -3.062 -2.301 1.00 54.03 H new ATOM 0 HA VAL A 650 -4.289 -4.599 -0.888 1.00 2.20 H new ATOM 0 HB VAL A 650 -6.367 -2.612 0.120 1.00 32.01 H new ATOM 0 HG11 VAL A 650 -4.867 -2.327 2.049 1.00 41.55 H new ATOM 0 HG12 VAL A 650 -5.492 -3.990 1.937 1.00 41.55 H new ATOM 0 HG13 VAL A 650 -3.825 -3.629 1.427 1.00 41.55 H new ATOM 0 HG21 VAL A 650 -4.526 -0.981 0.006 1.00 23.12 H new ATOM 0 HG22 VAL A 650 -3.471 -2.228 -0.701 1.00 23.12 H new ATOM 0 HG23 VAL A 650 -4.904 -1.665 -1.594 1.00 23.12 H new ATOM 1358 N LEU A 651 -7.453 -5.113 -0.022 1.00 63.33 N ATOM 1359 CA LEU A 651 -8.353 -6.061 0.625 1.00 61.41 C ATOM 1360 C LEU A 651 -8.342 -7.404 -0.098 1.00 43.00 C ATOM 1361 O LEU A 651 -8.626 -8.443 0.497 1.00 52.44 O ATOM 1362 CB LEU A 651 -9.775 -5.501 0.661 1.00 54.25 C ATOM 1363 CG LEU A 651 -10.081 -4.514 1.789 1.00 41.34 C ATOM 1364 CD1 LEU A 651 -11.459 -3.900 1.603 1.00 14.11 C ATOM 1365 CD2 LEU A 651 -9.981 -5.205 3.142 1.00 34.10 C ATOM 0 H LEU A 651 -7.915 -4.292 -0.412 1.00 63.33 H new ATOM 0 HA LEU A 651 -8.004 -6.216 1.646 1.00 61.41 H new ATOM 0 HB2 LEU A 651 -9.973 -5.007 -0.290 1.00 54.25 H new ATOM 0 HB3 LEU A 651 -10.471 -6.336 0.738 1.00 54.25 H new ATOM 0 HG LEU A 651 -9.343 -3.713 1.756 1.00 41.34 H new ATOM 0 HD11 LEU A 651 -11.658 -3.201 2.415 1.00 14.11 H new ATOM 0 HD12 LEU A 651 -11.496 -3.370 0.651 1.00 14.11 H new ATOM 0 HD13 LEU A 651 -12.212 -4.688 1.609 1.00 14.11 H new ATOM 0 HD21 LEU A 651 -10.202 -4.489 3.934 1.00 34.10 H new ATOM 0 HD22 LEU A 651 -10.697 -6.026 3.185 1.00 34.10 H new ATOM 0 HD23 LEU A 651 -8.973 -5.596 3.277 1.00 34.10 H new ATOM 1376 N ALA A 652 -8.008 -7.374 -1.384 1.00 1.40 N ATOM 1377 CA ALA A 652 -7.954 -8.590 -2.187 1.00 53.41 C ATOM 1378 C ALA A 652 -6.866 -9.533 -1.685 1.00 34.42 C ATOM 1379 O ALA A 652 -7.116 -10.713 -1.446 1.00 40.54 O ATOM 1380 CB ALA A 652 -7.723 -8.245 -3.651 1.00 50.10 C ATOM 0 H ALA A 652 -7.771 -6.522 -1.892 1.00 1.40 H new ATOM 0 HA ALA A 652 -8.912 -9.101 -2.092 1.00 53.41 H new ATOM 0 HB1 ALA A 652 -7.685 -9.162 -4.239 1.00 50.10 H new ATOM 0 HB2 ALA A 652 -8.539 -7.617 -4.010 1.00 50.10 H new ATOM 0 HB3 ALA A 652 -6.780 -7.708 -3.754 1.00 50.10 H new ATOM 1386 N ALA A 653 -5.657 -9.003 -1.529 1.00 42.30 N ATOM 1387 CA ALA A 653 -4.531 -9.797 -1.053 1.00 11.14 C ATOM 1388 C ALA A 653 -4.627 -10.042 0.448 1.00 11.40 C ATOM 1389 O ALA A 653 -4.497 -11.176 0.911 1.00 63.12 O ATOM 1390 CB ALA A 653 -3.218 -9.108 -1.396 1.00 63.01 C ATOM 0 H ALA A 653 -5.433 -8.028 -1.725 1.00 42.30 H new ATOM 0 HA ALA A 653 -4.563 -10.765 -1.554 1.00 11.14 H new ATOM 0 HB1 ALA A 653 -2.385 -9.711 -1.035 1.00 63.01 H new ATOM 0 HB2 ALA A 653 -3.140 -8.991 -2.477 1.00 63.01 H new ATOM 0 HB3 ALA A 653 -3.187 -8.127 -0.922 1.00 63.01 H new ATOM 1396 N HIS A 654 -4.854 -8.974 1.205 1.00 74.33 N ATOM 1397 CA HIS A 654 -4.967 -9.073 2.655 1.00 2.40 C ATOM 1398 C HIS A 654 -6.004 -10.120 3.049 1.00 52.42 C ATOM 1399 O HIS A 654 -5.886 -10.766 4.089 1.00 64.43 O ATOM 1400 CB HIS A 654 -5.341 -7.717 3.253 1.00 75.14 C ATOM 1401 CG HIS A 654 -4.199 -6.751 3.311 1.00 35.10 C ATOM 1402 ND1 HIS A 654 -3.495 -6.352 2.194 1.00 20.24 N ATOM 1403 CD2 HIS A 654 -3.640 -6.102 4.358 1.00 61.22 C ATOM 1404 CE1 HIS A 654 -2.551 -5.501 2.553 1.00 25.10 C ATOM 1405 NE2 HIS A 654 -2.617 -5.331 3.861 1.00 71.03 N ATOM 0 H HIS A 654 -4.963 -8.029 0.838 1.00 74.33 H new ATOM 0 HA HIS A 654 -3.999 -9.380 3.050 1.00 2.40 H new ATOM 0 HB2 HIS A 654 -6.146 -7.279 2.663 1.00 75.14 H new ATOM 0 HB3 HIS A 654 -5.729 -7.868 4.260 1.00 75.14 H new ATOM 0 HD1 HIS A 654 -3.675 -6.665 1.240 1.00 20.24 H new ATOM 0 HD2 HIS A 654 -3.942 -6.176 5.392 1.00 61.22 H new ATOM 0 HE1 HIS A 654 -1.845 -5.025 1.889 1.00 25.10 H new ATOM 0 HE2 HIS A 654 -2.008 -4.726 4.412 1.00 71.03 H new ATOM 1412 N ALA A 655 -7.022 -10.282 2.209 1.00 2.40 N ATOM 1413 CA ALA A 655 -8.080 -11.252 2.469 1.00 20.31 C ATOM 1414 C ALA A 655 -7.615 -12.669 2.151 1.00 11.15 C ATOM 1415 O ALA A 655 -7.819 -13.592 2.941 1.00 32.11 O ATOM 1416 CB ALA A 655 -9.321 -10.907 1.660 1.00 32.33 C ATOM 0 H ALA A 655 -7.136 -9.755 1.343 1.00 2.40 H new ATOM 0 HA ALA A 655 -8.327 -11.209 3.530 1.00 20.31 H new ATOM 0 HB1 ALA A 655 -10.103 -11.639 1.863 1.00 32.33 H new ATOM 0 HB2 ALA A 655 -9.672 -9.914 1.939 1.00 32.33 H new ATOM 0 HB3 ALA A 655 -9.078 -10.921 0.597 1.00 32.33 H new ATOM 1422 N TYR A 656 -6.991 -12.836 0.990 1.00 54.12 N ATOM 1423 CA TYR A 656 -6.501 -14.142 0.566 1.00 52.01 C ATOM 1424 C TYR A 656 -5.423 -14.654 1.517 1.00 14.32 C ATOM 1425 O TYR A 656 -5.457 -15.807 1.947 1.00 41.30 O ATOM 1426 CB TYR A 656 -5.946 -14.064 -0.858 1.00 42.44 C ATOM 1427 CG TYR A 656 -5.277 -15.341 -1.317 1.00 75.43 C ATOM 1428 CD1 TYR A 656 -6.027 -16.468 -1.627 1.00 51.32 C ATOM 1429 CD2 TYR A 656 -3.895 -15.417 -1.442 1.00 40.54 C ATOM 1430 CE1 TYR A 656 -5.420 -17.636 -2.046 1.00 0.25 C ATOM 1431 CE2 TYR A 656 -3.280 -16.581 -1.862 1.00 63.14 C ATOM 1432 CZ TYR A 656 -4.046 -17.687 -2.162 1.00 14.43 C ATOM 1433 OH TYR A 656 -3.438 -18.849 -2.581 1.00 33.11 O ATOM 0 H TYR A 656 -6.813 -12.083 0.326 1.00 54.12 H new ATOM 0 HA TYR A 656 -7.338 -14.840 0.585 1.00 52.01 H new ATOM 0 HB2 TYR A 656 -6.759 -13.823 -1.543 1.00 42.44 H new ATOM 0 HB3 TYR A 656 -5.228 -13.246 -0.915 1.00 42.44 H new ATOM 0 HD1 TYR A 656 -7.103 -16.431 -1.539 1.00 51.32 H new ATOM 0 HD2 TYR A 656 -3.292 -14.552 -1.207 1.00 40.54 H new ATOM 0 HE1 TYR A 656 -6.017 -18.504 -2.281 1.00 0.25 H new ATOM 0 HE2 TYR A 656 -2.205 -16.624 -1.955 1.00 63.14 H new ATOM 0 HH TYR A 656 -2.467 -18.718 -2.610 1.00 33.11 H new ATOM 1442 N TRP A 657 -4.470 -13.789 1.841 1.00 32.11 N ATOM 1443 CA TRP A 657 -3.381 -14.152 2.741 1.00 51.25 C ATOM 1444 C TRP A 657 -3.908 -14.435 4.144 1.00 0.13 C ATOM 1445 O TRP A 657 -3.443 -15.355 4.817 1.00 23.21 O ATOM 1446 CB TRP A 657 -2.338 -13.035 2.791 1.00 74.43 C ATOM 1447 CG TRP A 657 -1.574 -12.879 1.511 1.00 65.31 C ATOM 1448 CD1 TRP A 657 -1.431 -11.738 0.775 1.00 10.15 C ATOM 1449 CD2 TRP A 657 -0.847 -13.900 0.819 1.00 11.04 C ATOM 1450 NE1 TRP A 657 -0.660 -11.988 -0.336 1.00 42.51 N ATOM 1451 CE2 TRP A 657 -0.289 -13.306 -0.331 1.00 5.22 C ATOM 1452 CE3 TRP A 657 -0.612 -15.257 1.057 1.00 64.14 C ATOM 1453 CZ2 TRP A 657 0.487 -14.025 -1.238 1.00 61.44 C ATOM 1454 CZ3 TRP A 657 0.158 -15.968 0.157 1.00 20.15 C ATOM 1455 CH2 TRP A 657 0.701 -15.351 -0.978 1.00 2.32 C ATOM 0 H TRP A 657 -4.429 -12.831 1.494 1.00 32.11 H new ATOM 0 HA TRP A 657 -2.913 -15.059 2.358 1.00 51.25 H new ATOM 0 HB2 TRP A 657 -2.835 -12.094 3.026 1.00 74.43 H new ATOM 0 HB3 TRP A 657 -1.638 -13.237 3.602 1.00 74.43 H new ATOM 0 HD1 TRP A 657 -1.860 -10.780 1.028 1.00 10.15 H new ATOM 0 HE1 TRP A 657 -0.406 -11.303 -1.048 1.00 42.51 H new ATOM 0 HE3 TRP A 657 -1.025 -15.741 1.929 1.00 64.14 H new ATOM 0 HZ2 TRP A 657 0.905 -13.552 -2.115 1.00 61.44 H new ATOM 0 HZ3 TRP A 657 0.345 -17.017 0.331 1.00 20.15 H new ATOM 0 HH2 TRP A 657 1.301 -15.934 -1.661 1.00 2.32 H new ATOM 1465 N SER A 658 -4.880 -13.640 4.579 1.00 21.10 N ATOM 1466 CA SER A 658 -5.467 -13.805 5.903 1.00 72.22 C ATOM 1467 C SER A 658 -6.116 -15.177 6.044 1.00 11.44 C ATOM 1468 O SER A 658 -6.123 -15.764 7.126 1.00 14.42 O ATOM 1469 CB SER A 658 -6.503 -12.709 6.165 1.00 42.21 C ATOM 1470 OG SER A 658 -5.884 -11.525 6.639 1.00 42.42 O ATOM 0 H SER A 658 -5.278 -12.875 4.034 1.00 21.10 H new ATOM 0 HA SER A 658 -4.667 -13.724 6.639 1.00 72.22 H new ATOM 0 HB2 SER A 658 -7.050 -12.495 5.247 1.00 42.21 H new ATOM 0 HB3 SER A 658 -7.231 -13.060 6.896 1.00 42.21 H new ATOM 0 HG SER A 658 -5.721 -10.917 5.887 1.00 42.42 H new ATOM 1475 N GLN A 659 -6.660 -15.684 4.942 1.00 75.54 N ATOM 1476 CA GLN A 659 -7.313 -16.987 4.942 1.00 1.24 C ATOM 1477 C GLN A 659 -6.357 -18.075 5.420 1.00 71.14 C ATOM 1478 O GLN A 659 -6.785 -19.118 5.911 1.00 14.53 O ATOM 1479 CB GLN A 659 -7.827 -17.324 3.541 1.00 14.20 C ATOM 1480 CG GLN A 659 -8.660 -18.594 3.487 1.00 70.13 C ATOM 1481 CD GLN A 659 -10.001 -18.442 4.180 1.00 3.31 C ATOM 1482 OE1 GLN A 659 -10.234 -19.026 5.239 1.00 1.32 O ATOM 1483 NE2 GLN A 659 -10.889 -17.656 3.585 1.00 53.11 N ATOM 0 H GLN A 659 -6.661 -15.212 4.038 1.00 75.54 H new ATOM 0 HA GLN A 659 -8.157 -16.942 5.630 1.00 1.24 H new ATOM 0 HB2 GLN A 659 -8.426 -16.491 3.173 1.00 14.20 H new ATOM 0 HB3 GLN A 659 -6.977 -17.428 2.867 1.00 14.20 H new ATOM 0 HG2 GLN A 659 -8.823 -18.873 2.446 1.00 70.13 H new ATOM 0 HG3 GLN A 659 -8.105 -19.408 3.953 1.00 70.13 H new ATOM 0 HE21 GLN A 659 -10.653 -17.192 2.708 1.00 53.11 H new ATOM 0 HE22 GLN A 659 -11.808 -17.516 4.005 1.00 53.11 H new