USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 448 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 581 SER OG : rot 23:sc= 0.196 USER MOD Single : A 594 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 597 THR OG1 : rot -74:sc= 0.849 USER MOD Single : A 604 LYS NZ :NH3+ -114:sc= -0.14 (180deg=-1.12) 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+ 159:sc= -0.116 (180deg=-0.697) USER MOD Single : A 622 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 624 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 625 THR OG1 : rot 180:sc= 0 USER MOD Single : A 628 HIS : no HD1:sc= -0.159 X(o=-0.16,f=-0.47) USER MOD Single : A 629 THR OG1 : rot 180:sc= 0 USER MOD Single : A 631 SER OG : rot -64:sc= 0.981 USER MOD Single : A 644 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 654 HIS : no HD1:sc= -4.22! C(o=-4.2!,f=-4.8!) USER MOD Single : A 656 TYR OH : rot 180:sc= 0 USER MOD Single : A 658 SER OG : rot 180:sc= 0 USER MOD Single : A 659 GLN : amide:sc=-0.00402 X(o=-0.004,f=0) USER MOD ----------------------------------------------------------------- ATOM 321 N SER A 581 1.591 9.755 -1.878 1.00 30.24 N ATOM 322 CA SER A 581 0.841 10.013 -3.103 1.00 64.14 C ATOM 323 C SER A 581 0.340 8.709 -3.717 1.00 35.44 C ATOM 324 O SER A 581 0.876 7.635 -3.446 1.00 73.24 O ATOM 325 CB SER A 581 1.714 10.762 -4.111 1.00 1.22 C ATOM 326 OG SER A 581 2.340 11.882 -3.510 1.00 70.12 O ATOM 0 HA SER A 581 -0.021 10.630 -2.850 1.00 64.14 H new ATOM 0 HB2 SER A 581 2.472 10.089 -4.511 1.00 1.22 H new ATOM 0 HB3 SER A 581 1.104 11.090 -4.952 1.00 1.22 H new ATOM 0 HG SER A 581 2.392 11.747 -2.541 1.00 70.12 H new ATOM 331 N VAL A 582 -0.693 8.813 -4.548 1.00 23.21 N ATOM 332 CA VAL A 582 -1.268 7.643 -5.203 1.00 54.45 C ATOM 333 C VAL A 582 -0.193 6.825 -5.908 1.00 72.02 C ATOM 334 O VAL A 582 -0.224 5.595 -5.894 1.00 30.24 O ATOM 335 CB VAL A 582 -2.345 8.047 -6.227 1.00 61.43 C ATOM 336 CG1 VAL A 582 -2.913 6.816 -6.918 1.00 40.24 C ATOM 337 CG2 VAL A 582 -3.449 8.845 -5.550 1.00 20.34 C ATOM 0 H VAL A 582 -1.149 9.695 -4.783 1.00 23.21 H new ATOM 0 HA VAL A 582 -1.728 7.037 -4.423 1.00 54.45 H new ATOM 0 HB VAL A 582 -1.883 8.679 -6.985 1.00 61.43 H new ATOM 0 HG11 VAL A 582 -3.672 7.121 -7.638 1.00 40.24 H new ATOM 0 HG12 VAL A 582 -2.113 6.288 -7.436 1.00 40.24 H new ATOM 0 HG13 VAL A 582 -3.361 6.156 -6.175 1.00 40.24 H new ATOM 0 HG21 VAL A 582 -4.202 9.123 -6.288 1.00 20.34 H new ATOM 0 HG22 VAL A 582 -3.911 8.239 -4.771 1.00 20.34 H new ATOM 0 HG23 VAL A 582 -3.027 9.746 -5.106 1.00 20.34 H new ATOM 347 N ALA A 583 0.761 7.517 -6.525 1.00 25.14 N ATOM 348 CA ALA A 583 1.848 6.854 -7.235 1.00 1.34 C ATOM 349 C ALA A 583 2.789 6.151 -6.263 1.00 52.20 C ATOM 350 O ALA A 583 3.331 5.089 -6.569 1.00 11.34 O ATOM 351 CB ALA A 583 2.614 7.859 -8.082 1.00 13.11 C ATOM 0 H ALA A 583 0.802 8.536 -6.547 1.00 25.14 H new ATOM 0 HA ALA A 583 1.415 6.099 -7.891 1.00 1.34 H new ATOM 0 HB1 ALA A 583 3.423 7.351 -8.607 1.00 13.11 H new ATOM 0 HB2 ALA A 583 1.939 8.313 -8.808 1.00 13.11 H new ATOM 0 HB3 ALA A 583 3.030 8.635 -7.439 1.00 13.11 H new ATOM 357 N GLU A 584 2.979 6.750 -5.092 1.00 52.10 N ATOM 358 CA GLU A 584 3.858 6.181 -4.077 1.00 3.04 C ATOM 359 C GLU A 584 3.194 4.991 -3.389 1.00 3.24 C ATOM 360 O GLU A 584 3.848 3.995 -3.080 1.00 65.21 O ATOM 361 CB GLU A 584 4.229 7.242 -3.039 1.00 20.04 C ATOM 362 CG GLU A 584 4.957 8.440 -3.626 1.00 23.04 C ATOM 363 CD GLU A 584 6.418 8.488 -3.226 1.00 32.41 C ATOM 364 OE1 GLU A 584 6.700 8.794 -2.049 1.00 54.12 O ATOM 365 OE2 GLU A 584 7.279 8.220 -4.090 1.00 13.02 O ATOM 0 H GLU A 584 2.536 7.629 -4.823 1.00 52.10 H new ATOM 0 HA GLU A 584 4.765 5.834 -4.571 1.00 3.04 H new ATOM 0 HB2 GLU A 584 3.321 7.586 -2.543 1.00 20.04 H new ATOM 0 HB3 GLU A 584 4.857 6.785 -2.274 1.00 20.04 H new ATOM 0 HG2 GLU A 584 4.883 8.409 -4.713 1.00 23.04 H new ATOM 0 HG3 GLU A 584 4.464 9.356 -3.299 1.00 23.04 H new ATOM 370 N VAL A 585 1.891 5.104 -3.152 1.00 64.42 N ATOM 371 CA VAL A 585 1.137 4.038 -2.501 1.00 73.42 C ATOM 372 C VAL A 585 0.953 2.846 -3.434 1.00 1.54 C ATOM 373 O VAL A 585 0.945 1.698 -2.995 1.00 63.52 O ATOM 374 CB VAL A 585 -0.245 4.532 -2.035 1.00 73.21 C ATOM 375 CG1 VAL A 585 -1.003 3.415 -1.334 1.00 72.53 C ATOM 376 CG2 VAL A 585 -0.100 5.742 -1.125 1.00 72.01 C ATOM 0 H VAL A 585 1.335 5.922 -3.401 1.00 64.42 H new ATOM 0 HA VAL A 585 1.715 3.727 -1.631 1.00 73.42 H new ATOM 0 HB VAL A 585 -0.818 4.833 -2.912 1.00 73.21 H new ATOM 0 HG11 VAL A 585 -1.977 3.783 -1.012 1.00 72.53 H new ATOM 0 HG12 VAL A 585 -1.140 2.581 -2.022 1.00 72.53 H new ATOM 0 HG13 VAL A 585 -0.436 3.080 -0.465 1.00 72.53 H new ATOM 0 HG21 VAL A 585 -1.087 6.077 -0.806 1.00 72.01 H new ATOM 0 HG22 VAL A 585 0.492 5.471 -0.251 1.00 72.01 H new ATOM 0 HG23 VAL A 585 0.399 6.546 -1.666 1.00 72.01 H new ATOM 386 N GLU A 586 0.803 3.131 -4.724 1.00 74.23 N ATOM 387 CA GLU A 586 0.618 2.082 -5.720 1.00 33.43 C ATOM 388 C GLU A 586 1.698 1.012 -5.591 1.00 63.44 C ATOM 389 O GLU A 586 1.465 -0.160 -5.885 1.00 24.42 O ATOM 390 CB GLU A 586 0.640 2.677 -7.130 1.00 63.40 C ATOM 391 CG GLU A 586 2.019 2.681 -7.767 1.00 52.32 C ATOM 392 CD GLU A 586 2.129 3.666 -8.915 1.00 23.11 C ATOM 393 OE1 GLU A 586 1.090 4.233 -9.311 1.00 3.35 O ATOM 394 OE2 GLU A 586 3.254 3.869 -9.417 1.00 24.55 O ATOM 0 H GLU A 586 0.806 4.078 -5.103 1.00 74.23 H new ATOM 0 HA GLU A 586 -0.352 1.617 -5.544 1.00 33.43 H new ATOM 0 HB2 GLU A 586 -0.042 2.112 -7.765 1.00 63.40 H new ATOM 0 HB3 GLU A 586 0.265 3.700 -7.090 1.00 63.40 H new ATOM 0 HG2 GLU A 586 2.764 2.926 -7.010 1.00 52.32 H new ATOM 0 HG3 GLU A 586 2.251 1.679 -8.129 1.00 52.32 H new ATOM 399 N ALA A 587 2.882 1.425 -5.150 1.00 22.30 N ATOM 400 CA ALA A 587 3.998 0.503 -4.980 1.00 62.43 C ATOM 401 C ALA A 587 3.824 -0.345 -3.724 1.00 32.51 C ATOM 402 O ALA A 587 4.196 -1.519 -3.698 1.00 33.13 O ATOM 403 CB ALA A 587 5.311 1.268 -4.924 1.00 52.23 C ATOM 0 H ALA A 587 3.093 2.392 -4.904 1.00 22.30 H new ATOM 0 HA ALA A 587 4.017 -0.167 -5.839 1.00 62.43 H new ATOM 0 HB1 ALA A 587 6.136 0.567 -4.797 1.00 52.23 H new ATOM 0 HB2 ALA A 587 5.448 1.824 -5.851 1.00 52.23 H new ATOM 0 HB3 ALA A 587 5.292 1.962 -4.084 1.00 52.23 H new ATOM 409 N LEU A 588 3.256 0.256 -2.685 1.00 41.44 N ATOM 410 CA LEU A 588 3.033 -0.444 -1.424 1.00 0.43 C ATOM 411 C LEU A 588 2.073 -1.615 -1.614 1.00 55.32 C ATOM 412 O LEU A 588 2.343 -2.730 -1.167 1.00 22.34 O ATOM 413 CB LEU A 588 2.478 0.520 -0.374 1.00 51.13 C ATOM 414 CG LEU A 588 2.800 0.184 1.082 1.00 70.11 C ATOM 415 CD1 LEU A 588 2.500 -1.279 1.372 1.00 54.30 C ATOM 416 CD2 LEU A 588 4.255 0.503 1.394 1.00 42.35 C ATOM 0 H LEU A 588 2.941 1.226 -2.690 1.00 41.44 H new ATOM 0 HA LEU A 588 3.990 -0.835 -1.079 1.00 0.43 H new ATOM 0 HB2 LEU A 588 2.860 1.518 -0.589 1.00 51.13 H new ATOM 0 HB3 LEU A 588 1.395 0.562 -0.485 1.00 51.13 H new ATOM 0 HG LEU A 588 2.168 0.798 1.724 1.00 70.11 H new ATOM 0 HD11 LEU A 588 2.736 -1.499 2.413 1.00 54.30 H new ATOM 0 HD12 LEU A 588 1.444 -1.477 1.189 1.00 54.30 H new ATOM 0 HD13 LEU A 588 3.105 -1.910 0.722 1.00 54.30 H new ATOM 0 HD21 LEU A 588 4.466 0.258 2.435 1.00 42.35 H new ATOM 0 HD22 LEU A 588 4.904 -0.084 0.744 1.00 42.35 H new ATOM 0 HD23 LEU A 588 4.439 1.564 1.227 1.00 42.35 H new ATOM 427 N VAL A 589 0.954 -1.353 -2.282 1.00 45.32 N ATOM 428 CA VAL A 589 -0.044 -2.385 -2.533 1.00 73.02 C ATOM 429 C VAL A 589 0.482 -3.433 -3.508 1.00 11.33 C ATOM 430 O VAL A 589 0.501 -4.624 -3.204 1.00 63.50 O ATOM 431 CB VAL A 589 -1.345 -1.783 -3.096 1.00 14.32 C ATOM 432 CG1 VAL A 589 -2.467 -2.808 -3.063 1.00 44.10 C ATOM 433 CG2 VAL A 589 -1.731 -0.532 -2.322 1.00 51.42 C ATOM 0 H VAL A 589 0.716 -0.435 -2.659 1.00 45.32 H new ATOM 0 HA VAL A 589 -0.257 -2.859 -1.575 1.00 73.02 H new ATOM 0 HB VAL A 589 -1.174 -1.502 -4.135 1.00 14.32 H new ATOM 0 HG11 VAL A 589 -3.378 -2.364 -3.465 1.00 44.10 H new ATOM 0 HG12 VAL A 589 -2.188 -3.672 -3.666 1.00 44.10 H new ATOM 0 HG13 VAL A 589 -2.641 -3.124 -2.034 1.00 44.10 H new ATOM 0 HG21 VAL A 589 -2.652 -0.120 -2.733 1.00 51.42 H new ATOM 0 HG22 VAL A 589 -1.883 -0.786 -1.273 1.00 51.42 H new ATOM 0 HG23 VAL A 589 -0.934 0.207 -2.404 1.00 51.42 H new ATOM 443 N GLU A 590 0.910 -2.977 -4.682 1.00 24.42 N ATOM 444 CA GLU A 590 1.436 -3.876 -5.703 1.00 30.20 C ATOM 445 C GLU A 590 2.512 -4.790 -5.122 1.00 43.33 C ATOM 446 O GLU A 590 2.537 -5.989 -5.395 1.00 24.11 O ATOM 447 CB GLU A 590 2.010 -3.075 -6.873 1.00 51.14 C ATOM 448 CG GLU A 590 0.949 -2.432 -7.750 1.00 51.51 C ATOM 449 CD GLU A 590 1.532 -1.447 -8.744 1.00 62.51 C ATOM 450 OE1 GLU A 590 2.370 -0.617 -8.335 1.00 72.34 O ATOM 451 OE2 GLU A 590 1.150 -1.506 -9.932 1.00 23.43 O ATOM 0 H GLU A 590 0.903 -1.993 -4.949 1.00 24.42 H new ATOM 0 HA GLU A 590 0.614 -4.494 -6.064 1.00 30.20 H new ATOM 0 HB2 GLU A 590 2.666 -2.297 -6.482 1.00 51.14 H new ATOM 0 HB3 GLU A 590 2.625 -3.734 -7.486 1.00 51.14 H new ATOM 0 HG2 GLU A 590 0.409 -3.210 -8.289 1.00 51.51 H new ATOM 0 HG3 GLU A 590 0.223 -1.919 -7.119 1.00 51.51 H new ATOM 456 N ALA A 591 3.399 -4.212 -4.318 1.00 4.31 N ATOM 457 CA ALA A 591 4.475 -4.973 -3.696 1.00 55.45 C ATOM 458 C ALA A 591 3.928 -5.971 -2.683 1.00 63.31 C ATOM 459 O ALA A 591 4.383 -7.113 -2.614 1.00 23.12 O ATOM 460 CB ALA A 591 5.470 -4.033 -3.030 1.00 5.23 C ATOM 0 H ALA A 591 3.393 -3.220 -4.083 1.00 4.31 H new ATOM 0 HA ALA A 591 4.988 -5.534 -4.477 1.00 55.45 H new ATOM 0 HB1 ALA A 591 6.268 -4.615 -2.569 1.00 5.23 H new ATOM 0 HB2 ALA A 591 5.894 -3.363 -3.778 1.00 5.23 H new ATOM 0 HB3 ALA A 591 4.961 -3.447 -2.265 1.00 5.23 H new ATOM 466 N VAL A 592 2.949 -5.535 -1.898 1.00 51.44 N ATOM 467 CA VAL A 592 2.339 -6.390 -0.887 1.00 71.33 C ATOM 468 C VAL A 592 1.517 -7.502 -1.532 1.00 50.02 C ATOM 469 O VAL A 592 1.312 -8.559 -0.938 1.00 75.44 O ATOM 470 CB VAL A 592 1.433 -5.582 0.061 1.00 60.23 C ATOM 471 CG1 VAL A 592 0.560 -6.513 0.888 1.00 71.54 C ATOM 472 CG2 VAL A 592 2.271 -4.686 0.960 1.00 2.30 C ATOM 0 H VAL A 592 2.561 -4.593 -1.943 1.00 51.44 H new ATOM 0 HA VAL A 592 3.154 -6.830 -0.311 1.00 71.33 H new ATOM 0 HB VAL A 592 0.780 -4.949 -0.539 1.00 60.23 H new ATOM 0 HG11 VAL A 592 -0.073 -5.924 1.552 1.00 71.54 H new ATOM 0 HG12 VAL A 592 -0.066 -7.110 0.225 1.00 71.54 H new ATOM 0 HG13 VAL A 592 1.192 -7.173 1.481 1.00 71.54 H new ATOM 0 HG21 VAL A 592 1.616 -4.122 1.624 1.00 2.30 H new ATOM 0 HG22 VAL A 592 2.949 -5.299 1.554 1.00 2.30 H new ATOM 0 HG23 VAL A 592 2.849 -3.995 0.347 1.00 2.30 H new ATOM 482 N GLU A 593 1.051 -7.253 -2.752 1.00 43.04 N ATOM 483 CA GLU A 593 0.251 -8.233 -3.478 1.00 64.13 C ATOM 484 C GLU A 593 1.121 -9.385 -3.973 1.00 35.35 C ATOM 485 O GLU A 593 0.704 -10.543 -3.960 1.00 20.41 O ATOM 486 CB GLU A 593 -0.460 -7.570 -4.659 1.00 74.32 C ATOM 487 CG GLU A 593 -1.949 -7.367 -4.437 1.00 73.35 C ATOM 488 CD GLU A 593 -2.776 -8.548 -4.906 1.00 73.31 C ATOM 489 OE1 GLU A 593 -2.297 -9.695 -4.778 1.00 2.13 O ATOM 490 OE2 GLU A 593 -3.900 -8.327 -5.402 1.00 50.44 O ATOM 0 H GLU A 593 1.213 -6.382 -3.258 1.00 43.04 H new ATOM 0 HA GLU A 593 -0.497 -8.634 -2.793 1.00 64.13 H new ATOM 0 HB2 GLU A 593 0.004 -6.604 -4.856 1.00 74.32 H new ATOM 0 HB3 GLU A 593 -0.314 -8.181 -5.550 1.00 74.32 H new ATOM 0 HG2 GLU A 593 -2.134 -7.197 -3.376 1.00 73.35 H new ATOM 0 HG3 GLU A 593 -2.272 -6.470 -4.965 1.00 73.35 H new ATOM 495 N HIS A 594 2.332 -9.058 -4.413 1.00 2.51 N ATOM 496 CA HIS A 594 3.262 -10.063 -4.913 1.00 25.44 C ATOM 497 C HIS A 594 4.076 -10.667 -3.773 1.00 64.14 C ATOM 498 O HIS A 594 4.211 -11.887 -3.669 1.00 31.12 O ATOM 499 CB HIS A 594 4.198 -9.450 -5.955 1.00 22.42 C ATOM 500 CG HIS A 594 3.478 -8.797 -7.096 1.00 72.14 C ATOM 501 ND1 HIS A 594 2.210 -9.161 -7.492 1.00 23.21 N ATOM 502 CD2 HIS A 594 3.858 -7.797 -7.924 1.00 72.10 C ATOM 503 CE1 HIS A 594 1.839 -8.414 -8.517 1.00 34.00 C ATOM 504 NE2 HIS A 594 2.822 -7.577 -8.799 1.00 61.34 N ATOM 0 H HIS A 594 2.692 -8.104 -4.433 1.00 2.51 H new ATOM 0 HA HIS A 594 2.681 -10.858 -5.381 1.00 25.44 H new ATOM 0 HB2 HIS A 594 4.836 -8.712 -5.469 1.00 22.42 H new ATOM 0 HB3 HIS A 594 4.852 -10.229 -6.347 1.00 22.42 H new ATOM 0 HD2 HIS A 594 4.800 -7.270 -7.901 1.00 72.10 H new ATOM 0 HE1 HIS A 594 0.894 -8.477 -9.036 1.00 34.00 H new ATOM 0 HE2 HIS A 594 2.813 -6.881 -9.545 1.00 61.34 H new ATOM 511 N LEU A 595 4.619 -9.805 -2.920 1.00 60.24 N ATOM 512 CA LEU A 595 5.422 -10.252 -1.786 1.00 33.34 C ATOM 513 C LEU A 595 4.532 -10.727 -0.643 1.00 24.14 C ATOM 514 O LEU A 595 4.951 -11.527 0.192 1.00 41.45 O ATOM 515 CB LEU A 595 6.333 -9.122 -1.304 1.00 32.31 C ATOM 516 CG LEU A 595 7.557 -8.830 -2.173 1.00 44.35 C ATOM 517 CD1 LEU A 595 8.349 -10.103 -2.424 1.00 71.05 C ATOM 518 CD2 LEU A 595 7.137 -8.192 -3.488 1.00 74.42 C ATOM 0 H LEU A 595 4.518 -8.793 -2.992 1.00 60.24 H new ATOM 0 HA LEU A 595 6.037 -11.090 -2.115 1.00 33.34 H new ATOM 0 HB2 LEU A 595 5.740 -8.211 -1.229 1.00 32.31 H new ATOM 0 HB3 LEU A 595 6.676 -9.363 -0.298 1.00 32.31 H new ATOM 0 HG LEU A 595 8.198 -8.127 -1.640 1.00 44.35 H new ATOM 0 HD11 LEU A 595 9.216 -9.876 -3.044 1.00 71.05 H new ATOM 0 HD12 LEU A 595 8.682 -10.518 -1.473 1.00 71.05 H new ATOM 0 HD13 LEU A 595 7.718 -10.829 -2.936 1.00 71.05 H new ATOM 0 HD21 LEU A 595 8.021 -7.991 -4.094 1.00 74.42 H new ATOM 0 HD22 LEU A 595 6.475 -8.870 -4.026 1.00 74.42 H new ATOM 0 HD23 LEU A 595 6.614 -7.257 -3.288 1.00 74.42 H new ATOM 529 N GLY A 596 3.299 -10.231 -0.614 1.00 1.44 N ATOM 530 CA GLY A 596 2.368 -10.617 0.431 1.00 20.25 C ATOM 531 C GLY A 596 2.481 -9.740 1.662 1.00 51.32 C ATOM 532 O GLY A 596 3.118 -8.687 1.628 1.00 55.23 O ATOM 0 H GLY A 596 2.928 -9.569 -1.295 1.00 1.44 H new ATOM 0 HA2 GLY A 596 1.350 -10.565 0.044 1.00 20.25 H new ATOM 0 HA3 GLY A 596 2.550 -11.655 0.710 1.00 20.25 H new ATOM 536 N THR A 597 1.860 -10.174 2.755 1.00 11.22 N ATOM 537 CA THR A 597 1.892 -9.419 4.002 1.00 32.52 C ATOM 538 C THR A 597 2.879 -10.031 4.989 1.00 73.44 C ATOM 539 O THR A 597 2.660 -10.004 6.198 1.00 63.03 O ATOM 540 CB THR A 597 0.499 -9.360 4.657 1.00 32.21 C ATOM 541 OG1 THR A 597 -0.147 -10.633 4.553 1.00 73.55 O ATOM 542 CG2 THR A 597 -0.363 -8.293 3.999 1.00 51.24 C ATOM 0 H THR A 597 1.329 -11.044 2.802 1.00 11.22 H new ATOM 0 HA THR A 597 2.212 -8.407 3.752 1.00 32.52 H new ATOM 0 HB THR A 597 0.627 -9.104 5.709 1.00 32.21 H new ATOM 0 HG1 THR A 597 -0.442 -10.776 3.629 1.00 73.55 H new ATOM 0 HG21 THR A 597 -1.342 -8.270 4.478 1.00 51.24 H new ATOM 0 HG22 THR A 597 0.117 -7.320 4.107 1.00 51.24 H new ATOM 0 HG23 THR A 597 -0.482 -8.524 2.940 1.00 51.24 H new ATOM 550 N GLY A 598 3.970 -10.581 4.464 1.00 73.43 N ATOM 551 CA GLY A 598 4.976 -11.191 5.314 1.00 33.11 C ATOM 552 C GLY A 598 6.384 -10.970 4.796 1.00 44.43 C ATOM 553 O GLY A 598 7.332 -11.595 5.272 1.00 14.00 O ATOM 0 H GLY A 598 4.175 -10.615 3.465 1.00 73.43 H new ATOM 0 HA2 GLY A 598 4.894 -10.781 6.321 1.00 33.11 H new ATOM 0 HA3 GLY A 598 4.784 -12.261 5.389 1.00 33.11 H new ATOM 557 N ARG A 599 6.520 -10.079 3.819 1.00 71.13 N ATOM 558 CA ARG A 599 7.822 -9.780 3.236 1.00 14.42 C ATOM 559 C ARG A 599 8.044 -8.272 3.147 1.00 43.01 C ATOM 560 O ARG A 599 7.920 -7.679 2.076 1.00 4.21 O ATOM 561 CB ARG A 599 7.937 -10.406 1.844 1.00 13.51 C ATOM 562 CG ARG A 599 8.436 -11.840 1.862 1.00 33.32 C ATOM 563 CD ARG A 599 8.739 -12.342 0.458 1.00 1.20 C ATOM 564 NE ARG A 599 9.340 -13.673 0.470 1.00 13.21 N ATOM 565 CZ ARG A 599 9.919 -14.227 -0.590 1.00 63.15 C ATOM 566 NH1 ARG A 599 9.977 -13.569 -1.739 1.00 4.53 N ATOM 567 NH2 ARG A 599 10.444 -15.442 -0.500 1.00 25.52 N ATOM 0 H ARG A 599 5.745 -9.552 3.415 1.00 71.13 H new ATOM 0 HA ARG A 599 8.589 -10.206 3.883 1.00 14.42 H new ATOM 0 HB2 ARG A 599 6.961 -10.376 1.359 1.00 13.51 H new ATOM 0 HB3 ARG A 599 8.613 -9.802 1.238 1.00 13.51 H new ATOM 0 HG2 ARG A 599 9.335 -11.906 2.475 1.00 33.32 H new ATOM 0 HG3 ARG A 599 7.686 -12.482 2.325 1.00 33.32 H new ATOM 0 HD2 ARG A 599 7.818 -12.365 -0.125 1.00 1.20 H new ATOM 0 HD3 ARG A 599 9.413 -11.644 -0.039 1.00 1.20 H new ATOM 0 HE ARG A 599 9.314 -14.206 1.339 1.00 13.21 H new ATOM 0 HH11 ARG A 599 9.576 -12.634 -1.812 1.00 4.53 H new ATOM 0 HH12 ARG A 599 10.422 -13.998 -2.550 1.00 4.53 H new ATOM 0 HH21 ARG A 599 10.403 -15.951 0.383 1.00 25.52 H new ATOM 0 HH22 ARG A 599 10.888 -15.867 -1.314 1.00 25.52 H new ATOM 578 N TRP A 600 8.372 -7.661 4.280 1.00 35.51 N ATOM 579 CA TRP A 600 8.611 -6.223 4.330 1.00 64.23 C ATOM 580 C TRP A 600 9.897 -5.859 3.596 1.00 1.51 C ATOM 581 O TRP A 600 9.909 -4.962 2.753 1.00 4.34 O ATOM 582 CB TRP A 600 8.687 -5.748 5.782 1.00 42.12 C ATOM 583 CG TRP A 600 7.546 -6.233 6.625 1.00 1.23 C ATOM 584 CD1 TRP A 600 6.255 -6.424 6.224 1.00 61.31 C ATOM 585 CD2 TRP A 600 7.594 -6.584 8.012 1.00 41.21 C ATOM 586 NE1 TRP A 600 5.497 -6.875 7.279 1.00 55.30 N ATOM 587 CE2 TRP A 600 6.295 -6.981 8.387 1.00 72.04 C ATOM 588 CE3 TRP A 600 8.608 -6.603 8.973 1.00 64.45 C ATOM 589 CZ2 TRP A 600 5.987 -7.392 9.681 1.00 12.11 C ATOM 590 CZ3 TRP A 600 8.300 -7.011 10.258 1.00 50.24 C ATOM 591 CH2 TRP A 600 7.000 -7.401 10.602 1.00 30.32 C ATOM 0 H TRP A 600 8.478 -8.138 5.175 1.00 35.51 H new ATOM 0 HA TRP A 600 7.778 -5.724 3.835 1.00 64.23 H new ATOM 0 HB2 TRP A 600 9.625 -6.090 6.220 1.00 42.12 H new ATOM 0 HB3 TRP A 600 8.706 -4.658 5.800 1.00 42.12 H new ATOM 0 HD1 TRP A 600 5.884 -6.247 5.225 1.00 61.31 H new ATOM 0 HE1 TRP A 600 4.502 -7.095 7.242 1.00 55.30 H new ATOM 0 HE3 TRP A 600 9.614 -6.305 8.717 1.00 64.45 H new ATOM 0 HZ2 TRP A 600 4.985 -7.693 9.949 1.00 12.11 H new ATOM 0 HZ3 TRP A 600 9.076 -7.029 11.009 1.00 50.24 H new ATOM 0 HH2 TRP A 600 6.792 -7.715 11.614 1.00 30.32 H new ATOM 601 N ARG A 601 10.978 -6.559 3.922 1.00 73.51 N ATOM 602 CA ARG A 601 12.270 -6.308 3.293 1.00 22.01 C ATOM 603 C ARG A 601 12.150 -6.343 1.772 1.00 63.52 C ATOM 604 O ARG A 601 12.809 -5.577 1.070 1.00 34.41 O ATOM 605 CB ARG A 601 13.297 -7.342 3.758 1.00 51.10 C ATOM 606 CG ARG A 601 12.784 -8.772 3.717 1.00 43.40 C ATOM 607 CD ARG A 601 13.708 -9.673 2.913 1.00 4.13 C ATOM 608 NE ARG A 601 15.029 -9.787 3.525 1.00 34.02 N ATOM 609 CZ ARG A 601 16.015 -10.515 3.013 1.00 74.04 C ATOM 610 NH1 ARG A 601 15.830 -11.191 1.887 1.00 12.45 N ATOM 611 NH2 ARG A 601 17.191 -10.569 3.628 1.00 25.25 N ATOM 0 H ARG A 601 10.986 -7.305 4.618 1.00 73.51 H new ATOM 0 HA ARG A 601 12.604 -5.314 3.591 1.00 22.01 H new ATOM 0 HB2 ARG A 601 14.186 -7.266 3.132 1.00 51.10 H new ATOM 0 HB3 ARG A 601 13.604 -7.104 4.777 1.00 51.10 H new ATOM 0 HG2 ARG A 601 12.693 -9.156 4.733 1.00 43.40 H new ATOM 0 HG3 ARG A 601 11.786 -8.789 3.279 1.00 43.40 H new ATOM 0 HD2 ARG A 601 13.262 -10.664 2.825 1.00 4.13 H new ATOM 0 HD3 ARG A 601 13.810 -9.279 1.902 1.00 4.13 H new ATOM 0 HE ARG A 601 15.204 -9.280 4.393 1.00 34.02 H new ATOM 0 HH11 ARG A 601 14.928 -11.153 1.411 1.00 12.45 H new ATOM 0 HH12 ARG A 601 16.589 -11.749 1.497 1.00 12.45 H new ATOM 0 HH21 ARG A 601 17.338 -10.051 4.494 1.00 25.25 H new ATOM 0 HH22 ARG A 601 17.947 -11.128 3.234 1.00 25.25 H new ATOM 622 N ASP A 602 11.305 -7.238 1.271 1.00 32.25 N ATOM 623 CA ASP A 602 11.098 -7.373 -0.166 1.00 61.21 C ATOM 624 C ASP A 602 10.209 -6.251 -0.696 1.00 65.04 C ATOM 625 O ASP A 602 10.533 -5.607 -1.693 1.00 2.30 O ATOM 626 CB ASP A 602 10.473 -8.731 -0.487 1.00 34.14 C ATOM 627 CG ASP A 602 11.160 -9.871 0.238 1.00 73.03 C ATOM 628 OD1 ASP A 602 10.924 -10.028 1.455 1.00 51.21 O ATOM 629 OD2 ASP A 602 11.933 -10.607 -0.410 1.00 42.32 O ATOM 0 H ASP A 602 10.753 -7.880 1.839 1.00 32.25 H new ATOM 0 HA ASP A 602 12.069 -7.304 -0.656 1.00 61.21 H new ATOM 0 HB2 ASP A 602 9.418 -8.715 -0.215 1.00 34.14 H new ATOM 0 HB3 ASP A 602 10.523 -8.906 -1.562 1.00 34.14 H new ATOM 633 N VAL A 603 9.086 -6.026 -0.020 1.00 33.34 N ATOM 634 CA VAL A 603 8.150 -4.982 -0.422 1.00 34.43 C ATOM 635 C VAL A 603 8.824 -3.615 -0.437 1.00 41.42 C ATOM 636 O VAL A 603 8.530 -2.774 -1.287 1.00 25.21 O ATOM 637 CB VAL A 603 6.930 -4.932 0.517 1.00 54.23 C ATOM 638 CG1 VAL A 603 6.087 -3.699 0.230 1.00 24.32 C ATOM 639 CG2 VAL A 603 6.100 -6.199 0.380 1.00 62.12 C ATOM 0 H VAL A 603 8.803 -6.552 0.807 1.00 33.34 H new ATOM 0 HA VAL A 603 7.814 -5.228 -1.429 1.00 34.43 H new ATOM 0 HB VAL A 603 7.286 -4.868 1.545 1.00 54.23 H new ATOM 0 HG11 VAL A 603 5.229 -3.680 0.903 1.00 24.32 H new ATOM 0 HG12 VAL A 603 6.689 -2.803 0.384 1.00 24.32 H new ATOM 0 HG13 VAL A 603 5.738 -3.729 -0.802 1.00 24.32 H new ATOM 0 HG21 VAL A 603 5.242 -6.146 1.051 1.00 62.12 H new ATOM 0 HG22 VAL A 603 5.751 -6.296 -0.648 1.00 62.12 H new ATOM 0 HG23 VAL A 603 6.711 -7.064 0.639 1.00 62.12 H new ATOM 649 N LYS A 604 9.730 -3.398 0.510 1.00 71.23 N ATOM 650 CA LYS A 604 10.449 -2.133 0.606 1.00 63.22 C ATOM 651 C LYS A 604 11.464 -1.997 -0.524 1.00 41.12 C ATOM 652 O LYS A 604 11.616 -0.924 -1.107 1.00 14.11 O ATOM 653 CB LYS A 604 11.159 -2.028 1.958 1.00 5.21 C ATOM 654 CG LYS A 604 11.321 -0.600 2.450 1.00 40.34 C ATOM 655 CD LYS A 604 11.847 -0.558 3.875 1.00 53.42 C ATOM 656 CE LYS A 604 13.234 -1.174 3.976 1.00 13.11 C ATOM 657 NZ LYS A 604 13.174 -2.628 4.291 1.00 11.13 N ATOM 0 H LYS A 604 9.984 -4.082 1.223 1.00 71.23 H new ATOM 0 HA LYS A 604 9.724 -1.324 0.519 1.00 63.22 H new ATOM 0 HB2 LYS A 604 10.598 -2.597 2.699 1.00 5.21 H new ATOM 0 HB3 LYS A 604 12.143 -2.490 1.879 1.00 5.21 H new ATOM 0 HG2 LYS A 604 12.005 -0.063 1.793 1.00 40.34 H new ATOM 0 HG3 LYS A 604 10.361 -0.086 2.400 1.00 40.34 H new ATOM 0 HD2 LYS A 604 11.881 0.475 4.221 1.00 53.42 H new ATOM 0 HD3 LYS A 604 11.162 -1.093 4.533 1.00 53.42 H new ATOM 0 HE2 LYS A 604 13.765 -1.028 3.036 1.00 13.11 H new ATOM 0 HE3 LYS A 604 13.805 -0.658 4.748 1.00 13.11 H new ATOM 0 HZ1 LYS A 604 13.578 -2.796 5.234 1.00 11.13 H new ATOM 0 HZ2 LYS A 604 12.184 -2.946 4.277 1.00 11.13 H new ATOM 0 HZ3 LYS A 604 13.718 -3.160 3.582 1.00 11.13 H new ATOM 667 N MET A 605 12.155 -3.091 -0.827 1.00 14.24 N ATOM 668 CA MET A 605 13.154 -3.092 -1.891 1.00 30.10 C ATOM 669 C MET A 605 12.489 -3.004 -3.261 1.00 71.25 C ATOM 670 O MET A 605 13.039 -2.413 -4.191 1.00 60.42 O ATOM 671 CB MET A 605 14.015 -4.353 -1.809 1.00 63.21 C ATOM 672 CG MET A 605 15.129 -4.263 -0.777 1.00 32.45 C ATOM 673 SD MET A 605 16.657 -5.041 -1.335 1.00 45.02 S ATOM 674 CE MET A 605 17.873 -3.886 -0.708 1.00 42.21 C ATOM 0 H MET A 605 12.042 -3.987 -0.352 1.00 14.24 H new ATOM 0 HA MET A 605 13.790 -2.217 -1.759 1.00 30.10 H new ATOM 0 HB2 MET A 605 13.377 -5.204 -1.570 1.00 63.21 H new ATOM 0 HB3 MET A 605 14.453 -4.548 -2.788 1.00 63.21 H new ATOM 0 HG2 MET A 605 15.322 -3.215 -0.547 1.00 32.45 H new ATOM 0 HG3 MET A 605 14.801 -4.737 0.148 1.00 32.45 H new ATOM 0 HE1 MET A 605 18.873 -4.230 -0.974 1.00 42.21 H new ATOM 0 HE2 MET A 605 17.700 -2.903 -1.145 1.00 42.21 H new ATOM 0 HE3 MET A 605 17.788 -3.821 0.377 1.00 42.21 H new ATOM 682 N ARG A 606 11.305 -3.595 -3.378 1.00 30.31 N ATOM 683 CA ARG A 606 10.567 -3.585 -4.636 1.00 23.11 C ATOM 684 C ARG A 606 9.822 -2.266 -4.818 1.00 33.20 C ATOM 685 O ARG A 606 9.775 -1.714 -5.917 1.00 74.31 O ATOM 686 CB ARG A 606 9.579 -4.752 -4.681 1.00 13.44 C ATOM 687 CG ARG A 606 8.637 -4.706 -5.874 1.00 13.34 C ATOM 688 CD ARG A 606 8.144 -6.095 -6.248 1.00 75.10 C ATOM 689 NE ARG A 606 9.245 -6.991 -6.593 1.00 20.30 N ATOM 690 CZ ARG A 606 9.956 -6.886 -7.710 1.00 70.32 C ATOM 691 NH1 ARG A 606 9.683 -5.928 -8.585 1.00 72.34 N ATOM 692 NH2 ARG A 606 10.942 -7.741 -7.953 1.00 5.40 N ATOM 0 H ARG A 606 10.836 -4.087 -2.617 1.00 30.31 H new ATOM 0 HA ARG A 606 11.284 -3.693 -5.450 1.00 23.11 H new ATOM 0 HB2 ARG A 606 10.136 -5.688 -4.705 1.00 13.44 H new ATOM 0 HB3 ARG A 606 8.990 -4.754 -3.764 1.00 13.44 H new ATOM 0 HG2 ARG A 606 7.785 -4.067 -5.642 1.00 13.34 H new ATOM 0 HG3 ARG A 606 9.149 -4.259 -6.726 1.00 13.34 H new ATOM 0 HD2 ARG A 606 7.581 -6.516 -5.415 1.00 75.10 H new ATOM 0 HD3 ARG A 606 7.458 -6.021 -7.092 1.00 75.10 H new ATOM 0 HE ARG A 606 9.481 -7.738 -5.940 1.00 20.30 H new ATOM 0 HH11 ARG A 606 8.926 -5.270 -8.401 1.00 72.34 H new ATOM 0 HH12 ARG A 606 10.230 -5.849 -9.442 1.00 72.34 H new ATOM 0 HH21 ARG A 606 11.154 -8.479 -7.282 1.00 5.40 H new ATOM 0 HH22 ARG A 606 11.488 -7.660 -8.811 1.00 5.40 H new ATOM 703 N ALA A 607 9.241 -1.766 -3.732 1.00 21.21 N ATOM 704 CA ALA A 607 8.499 -0.511 -3.772 1.00 41.14 C ATOM 705 C ALA A 607 9.435 0.684 -3.630 1.00 65.12 C ATOM 706 O ALA A 607 9.661 1.425 -4.586 1.00 14.43 O ATOM 707 CB ALA A 607 7.442 -0.489 -2.678 1.00 20.13 C ATOM 0 H ALA A 607 9.270 -2.210 -2.814 1.00 21.21 H new ATOM 0 HA ALA A 607 8.005 -0.439 -4.741 1.00 41.14 H new ATOM 0 HB1 ALA A 607 6.895 0.453 -2.719 1.00 20.13 H new ATOM 0 HB2 ALA A 607 6.749 -1.317 -2.825 1.00 20.13 H new ATOM 0 HB3 ALA A 607 7.923 -0.587 -1.705 1.00 20.13 H new ATOM 713 N PHE A 608 9.977 0.867 -2.431 1.00 64.33 N ATOM 714 CA PHE A 608 10.887 1.974 -2.163 1.00 74.33 C ATOM 715 C PHE A 608 12.229 1.754 -2.856 1.00 33.01 C ATOM 716 O PHE A 608 12.873 0.721 -2.672 1.00 65.32 O ATOM 717 CB PHE A 608 11.099 2.136 -0.656 1.00 63.50 C ATOM 718 CG PHE A 608 9.863 2.568 0.080 1.00 64.44 C ATOM 719 CD1 PHE A 608 8.863 1.655 0.374 1.00 5.23 C ATOM 720 CD2 PHE A 608 9.702 3.885 0.477 1.00 40.11 C ATOM 721 CE1 PHE A 608 7.724 2.049 1.052 1.00 20.11 C ATOM 722 CE2 PHE A 608 8.566 4.284 1.155 1.00 22.43 C ATOM 723 CZ PHE A 608 7.575 3.365 1.441 1.00 45.31 C ATOM 0 H PHE A 608 9.802 0.262 -1.629 1.00 64.33 H new ATOM 0 HA PHE A 608 10.438 2.885 -2.559 1.00 74.33 H new ATOM 0 HB2 PHE A 608 11.446 1.189 -0.242 1.00 63.50 H new ATOM 0 HB3 PHE A 608 11.889 2.868 -0.485 1.00 63.50 H new ATOM 0 HD1 PHE A 608 8.974 0.625 0.070 1.00 5.23 H new ATOM 0 HD2 PHE A 608 10.473 4.608 0.254 1.00 40.11 H new ATOM 0 HE1 PHE A 608 6.952 1.328 1.277 1.00 20.11 H new ATOM 0 HE2 PHE A 608 8.453 5.314 1.461 1.00 22.43 H new ATOM 0 HZ PHE A 608 6.685 3.676 1.968 1.00 45.31 H new ATOM 828 N TYR A 616 11.115 -1.346 8.205 1.00 22.41 N ATOM 829 CA TYR A 616 10.134 -2.268 7.645 1.00 22.12 C ATOM 830 C TYR A 616 8.724 -1.910 8.106 1.00 3.42 C ATOM 831 O TYR A 616 7.740 -2.234 7.442 1.00 11.33 O ATOM 832 CB TYR A 616 10.463 -3.706 8.050 1.00 62.35 C ATOM 833 CG TYR A 616 10.651 -3.887 9.539 1.00 65.54 C ATOM 834 CD1 TYR A 616 9.560 -3.900 10.401 1.00 33.34 C ATOM 835 CD2 TYR A 616 11.918 -4.046 10.086 1.00 51.34 C ATOM 836 CE1 TYR A 616 9.725 -4.065 11.762 1.00 73.42 C ATOM 837 CE2 TYR A 616 12.094 -4.213 11.447 1.00 21.23 C ATOM 838 CZ TYR A 616 10.995 -4.222 12.280 1.00 2.02 C ATOM 839 OH TYR A 616 11.165 -4.386 13.636 1.00 72.42 O ATOM 0 HA TYR A 616 10.175 -2.185 6.559 1.00 22.12 H new ATOM 0 HB2 TYR A 616 9.662 -4.363 7.711 1.00 62.35 H new ATOM 0 HB3 TYR A 616 11.372 -4.020 7.537 1.00 62.35 H new ATOM 0 HD1 TYR A 616 8.565 -3.779 9.999 1.00 33.34 H new ATOM 0 HD2 TYR A 616 12.781 -4.039 9.436 1.00 51.34 H new ATOM 0 HE1 TYR A 616 8.866 -4.071 12.417 1.00 73.42 H new ATOM 0 HE2 TYR A 616 13.086 -4.336 11.855 1.00 21.23 H new ATOM 0 HH TYR A 616 12.119 -4.484 13.837 1.00 72.42 H new ATOM 848 N VAL A 617 8.636 -1.236 9.249 1.00 0.23 N ATOM 849 CA VAL A 617 7.348 -0.830 9.799 1.00 61.04 C ATOM 850 C VAL A 617 6.657 0.182 8.893 1.00 32.53 C ATOM 851 O VAL A 617 5.429 0.214 8.802 1.00 73.24 O ATOM 852 CB VAL A 617 7.505 -0.221 11.205 1.00 52.12 C ATOM 853 CG1 VAL A 617 8.358 1.037 11.149 1.00 53.54 C ATOM 854 CG2 VAL A 617 6.142 0.076 11.813 1.00 15.11 C ATOM 0 H VAL A 617 9.441 -0.960 9.811 1.00 0.23 H new ATOM 0 HA VAL A 617 6.736 -1.729 9.867 1.00 61.04 H new ATOM 0 HB VAL A 617 8.011 -0.947 11.842 1.00 52.12 H new ATOM 0 HG11 VAL A 617 8.458 1.454 12.151 1.00 53.54 H new ATOM 0 HG12 VAL A 617 9.345 0.790 10.758 1.00 53.54 H new ATOM 0 HG13 VAL A 617 7.883 1.770 10.497 1.00 53.54 H new ATOM 0 HG21 VAL A 617 6.272 0.506 12.806 1.00 15.11 H new ATOM 0 HG22 VAL A 617 5.607 0.783 11.179 1.00 15.11 H new ATOM 0 HG23 VAL A 617 5.569 -0.848 11.890 1.00 15.11 H new ATOM 864 N ASP A 618 7.453 1.009 8.223 1.00 65.34 N ATOM 865 CA ASP A 618 6.919 2.022 7.321 1.00 43.43 C ATOM 866 C ASP A 618 5.941 1.404 6.327 1.00 44.14 C ATOM 867 O ASP A 618 5.006 2.062 5.869 1.00 60.41 O ATOM 868 CB ASP A 618 8.056 2.718 6.572 1.00 11.34 C ATOM 869 CG ASP A 618 8.562 3.947 7.300 1.00 42.51 C ATOM 870 OD1 ASP A 618 8.376 4.026 8.533 1.00 52.01 O ATOM 871 OD2 ASP A 618 9.146 4.830 6.637 1.00 4.11 O ATOM 0 H ASP A 618 8.471 0.997 8.288 1.00 65.34 H new ATOM 0 HA ASP A 618 6.383 2.759 7.919 1.00 43.43 H new ATOM 0 HB2 ASP A 618 8.879 2.017 6.434 1.00 11.34 H new ATOM 0 HB3 ASP A 618 7.711 3.004 5.578 1.00 11.34 H new ATOM 875 N LEU A 619 6.162 0.137 5.997 1.00 72.24 N ATOM 876 CA LEU A 619 5.301 -0.571 5.057 1.00 34.20 C ATOM 877 C LEU A 619 3.995 -0.991 5.723 1.00 10.02 C ATOM 878 O LEU A 619 2.908 -0.693 5.228 1.00 15.44 O ATOM 879 CB LEU A 619 6.021 -1.802 4.501 1.00 53.44 C ATOM 880 CG LEU A 619 7.535 -1.670 4.324 1.00 60.01 C ATOM 881 CD1 LEU A 619 8.140 -3.001 3.903 1.00 0.45 C ATOM 882 CD2 LEU A 619 7.860 -0.587 3.306 1.00 60.02 C ATOM 0 H LEU A 619 6.931 -0.422 6.367 1.00 72.24 H new ATOM 0 HA LEU A 619 5.067 0.108 4.237 1.00 34.20 H new ATOM 0 HB2 LEU A 619 5.825 -2.644 5.165 1.00 53.44 H new ATOM 0 HB3 LEU A 619 5.582 -2.049 3.534 1.00 53.44 H new ATOM 0 HG LEU A 619 7.971 -1.383 5.281 1.00 60.01 H new ATOM 0 HD11 LEU A 619 9.217 -2.889 3.782 1.00 0.45 H new ATOM 0 HD12 LEU A 619 7.937 -3.751 4.668 1.00 0.45 H new ATOM 0 HD13 LEU A 619 7.700 -3.318 2.958 1.00 0.45 H new ATOM 0 HD21 LEU A 619 8.941 -0.507 3.193 1.00 60.02 H new ATOM 0 HD22 LEU A 619 7.413 -0.844 2.346 1.00 60.02 H new ATOM 0 HD23 LEU A 619 7.459 0.367 3.649 1.00 60.02 H new ATOM 893 N LYS A 620 4.108 -1.682 6.852 1.00 32.30 N ATOM 894 CA LYS A 620 2.938 -2.140 7.590 1.00 4.14 C ATOM 895 C LYS A 620 2.089 -0.960 8.051 1.00 12.45 C ATOM 896 O LYS A 620 0.864 -1.055 8.125 1.00 43.31 O ATOM 897 CB LYS A 620 3.365 -2.976 8.798 1.00 63.41 C ATOM 898 CG LYS A 620 2.384 -4.081 9.152 1.00 43.51 C ATOM 899 CD LYS A 620 1.354 -3.608 10.165 1.00 72.44 C ATOM 900 CE LYS A 620 1.818 -3.866 11.592 1.00 12.45 C ATOM 901 NZ LYS A 620 2.677 -2.763 12.103 1.00 52.34 N ATOM 0 H LYS A 620 5.000 -1.937 7.276 1.00 32.30 H new ATOM 0 HA LYS A 620 2.338 -2.758 6.922 1.00 4.14 H new ATOM 0 HB2 LYS A 620 4.340 -3.419 8.596 1.00 63.41 H new ATOM 0 HB3 LYS A 620 3.485 -2.319 9.659 1.00 63.41 H new ATOM 0 HG2 LYS A 620 1.878 -4.423 8.249 1.00 43.51 H new ATOM 0 HG3 LYS A 620 2.927 -4.936 9.556 1.00 43.51 H new ATOM 0 HD2 LYS A 620 1.170 -2.542 10.028 1.00 72.44 H new ATOM 0 HD3 LYS A 620 0.408 -4.120 9.990 1.00 72.44 H new ATOM 0 HE2 LYS A 620 0.950 -3.981 12.241 1.00 12.45 H new ATOM 0 HE3 LYS A 620 2.371 -4.805 11.630 1.00 12.45 H new ATOM 0 HZ1 LYS A 620 2.681 -2.780 13.143 1.00 52.34 H new ATOM 0 HZ2 LYS A 620 3.648 -2.887 11.751 1.00 52.34 H new ATOM 0 HZ3 LYS A 620 2.303 -1.850 11.773 1.00 52.34 H new ATOM 911 N ASP A 621 2.748 0.153 8.357 1.00 1.25 N ATOM 912 CA ASP A 621 2.053 1.353 8.807 1.00 11.32 C ATOM 913 C ASP A 621 1.238 1.968 7.673 1.00 51.14 C ATOM 914 O ASP A 621 0.053 2.262 7.832 1.00 71.34 O ATOM 915 CB ASP A 621 3.054 2.377 9.345 1.00 21.10 C ATOM 916 CG ASP A 621 3.483 2.074 10.768 1.00 54.42 C ATOM 917 OD1 ASP A 621 3.375 0.902 11.183 1.00 64.21 O ATOM 918 OD2 ASP A 621 3.927 3.010 11.466 1.00 10.24 O ATOM 0 H ASP A 621 3.762 0.249 8.301 1.00 1.25 H new ATOM 0 HA ASP A 621 1.370 1.068 9.608 1.00 11.32 H new ATOM 0 HB2 ASP A 621 3.932 2.396 8.700 1.00 21.10 H new ATOM 0 HB3 ASP A 621 2.609 3.371 9.307 1.00 21.10 H new ATOM 922 N LYS A 622 1.882 2.163 6.527 1.00 60.44 N ATOM 923 CA LYS A 622 1.220 2.742 5.365 1.00 32.21 C ATOM 924 C LYS A 622 0.177 1.784 4.799 1.00 63.41 C ATOM 925 O LYS A 622 -0.861 2.210 4.291 1.00 74.51 O ATOM 926 CB LYS A 622 2.248 3.089 4.286 1.00 72.42 C ATOM 927 CG LYS A 622 1.637 3.703 3.038 1.00 32.11 C ATOM 928 CD LYS A 622 1.182 5.131 3.285 1.00 52.52 C ATOM 929 CE LYS A 622 -0.270 5.184 3.734 1.00 0.21 C ATOM 930 NZ LYS A 622 -0.959 6.410 3.240 1.00 72.52 N ATOM 0 H LYS A 622 2.863 1.928 6.379 1.00 60.44 H new ATOM 0 HA LYS A 622 0.715 3.654 5.683 1.00 32.21 H new ATOM 0 HB2 LYS A 622 2.978 3.783 4.702 1.00 72.42 H new ATOM 0 HB3 LYS A 622 2.790 2.185 4.008 1.00 72.42 H new ATOM 0 HG2 LYS A 622 2.367 3.688 2.229 1.00 32.11 H new ATOM 0 HG3 LYS A 622 0.789 3.101 2.713 1.00 32.11 H new ATOM 0 HD2 LYS A 622 1.816 5.590 4.044 1.00 52.52 H new ATOM 0 HD3 LYS A 622 1.303 5.715 2.373 1.00 52.52 H new ATOM 0 HE2 LYS A 622 -0.795 4.301 3.370 1.00 0.21 H new ATOM 0 HE3 LYS A 622 -0.315 5.156 4.823 1.00 0.21 H new ATOM 0 HZ1 LYS A 622 -1.946 6.409 3.567 1.00 72.52 H new ATOM 0 HZ2 LYS A 622 -0.473 7.253 3.607 1.00 72.52 H new ATOM 0 HZ3 LYS A 622 -0.939 6.424 2.200 1.00 72.52 H new ATOM 940 N TRP A 623 0.458 0.489 4.892 1.00 22.21 N ATOM 941 CA TRP A 623 -0.458 -0.530 4.390 1.00 13.12 C ATOM 942 C TRP A 623 -1.664 -0.679 5.311 1.00 52.40 C ATOM 943 O TRP A 623 -2.809 -0.566 4.873 1.00 23.43 O ATOM 944 CB TRP A 623 0.264 -1.871 4.254 1.00 33.20 C ATOM 945 CG TRP A 623 -0.669 -3.038 4.139 1.00 35.53 C ATOM 946 CD1 TRP A 623 -1.246 -3.730 5.164 1.00 22.45 C ATOM 947 CD2 TRP A 623 -1.128 -3.650 2.928 1.00 22.45 C ATOM 948 NE1 TRP A 623 -2.039 -4.737 4.665 1.00 14.14 N ATOM 949 CE2 TRP A 623 -1.984 -4.708 3.295 1.00 63.31 C ATOM 950 CE3 TRP A 623 -0.904 -3.408 1.570 1.00 41.42 C ATOM 951 CZ2 TRP A 623 -2.611 -5.519 2.354 1.00 30.40 C ATOM 952 CZ3 TRP A 623 -1.526 -4.214 0.637 1.00 1.35 C ATOM 953 CH2 TRP A 623 -2.373 -5.258 1.032 1.00 35.41 C ATOM 0 H TRP A 623 1.312 0.120 5.310 1.00 22.21 H new ATOM 0 HA TRP A 623 -0.811 -0.214 3.408 1.00 13.12 H new ATOM 0 HB2 TRP A 623 0.908 -1.842 3.375 1.00 33.20 H new ATOM 0 HB3 TRP A 623 0.912 -2.016 5.119 1.00 33.20 H new ATOM 0 HD1 TRP A 623 -1.101 -3.518 6.213 1.00 22.45 H new ATOM 0 HE1 TRP A 623 -2.580 -5.398 5.223 1.00 14.14 H new ATOM 0 HE3 TRP A 623 -0.255 -2.604 1.255 1.00 41.42 H new ATOM 0 HZ2 TRP A 623 -3.262 -6.326 2.656 1.00 30.40 H new ATOM 0 HZ3 TRP A 623 -1.357 -4.037 -0.415 1.00 1.35 H new ATOM 0 HH2 TRP A 623 -2.847 -5.869 0.278 1.00 35.41 H new ATOM 963 N LYS A 624 -1.400 -0.931 6.588 1.00 21.45 N ATOM 964 CA LYS A 624 -2.464 -1.094 7.572 1.00 71.22 C ATOM 965 C LYS A 624 -3.438 0.078 7.519 1.00 3.32 C ATOM 966 O LYS A 624 -4.655 -0.110 7.531 1.00 24.33 O ATOM 967 CB LYS A 624 -1.872 -1.216 8.978 1.00 4.13 C ATOM 968 CG LYS A 624 -2.896 -1.581 10.039 1.00 32.22 C ATOM 969 CD LYS A 624 -3.527 -0.343 10.654 1.00 52.45 C ATOM 970 CE LYS A 624 -3.940 -0.587 12.098 1.00 34.33 C ATOM 971 NZ LYS A 624 -3.899 0.663 12.906 1.00 73.20 N ATOM 0 H LYS A 624 -0.458 -1.027 6.967 1.00 21.45 H new ATOM 0 HA LYS A 624 -3.009 -2.007 7.333 1.00 71.22 H new ATOM 0 HB2 LYS A 624 -1.086 -1.971 8.968 1.00 4.13 H new ATOM 0 HB3 LYS A 624 -1.402 -0.271 9.249 1.00 4.13 H new ATOM 0 HG2 LYS A 624 -3.673 -2.205 9.597 1.00 32.22 H new ATOM 0 HG3 LYS A 624 -2.418 -2.173 10.819 1.00 32.22 H new ATOM 0 HD2 LYS A 624 -2.821 0.486 10.612 1.00 52.45 H new ATOM 0 HD3 LYS A 624 -4.399 -0.049 10.070 1.00 52.45 H new ATOM 0 HE2 LYS A 624 -4.948 -1.002 12.122 1.00 34.33 H new ATOM 0 HE3 LYS A 624 -3.279 -1.330 12.544 1.00 34.33 H new ATOM 0 HZ1 LYS A 624 -4.187 0.454 13.883 1.00 73.20 H new ATOM 0 HZ2 LYS A 624 -2.932 1.046 12.904 1.00 73.20 H new ATOM 0 HZ3 LYS A 624 -4.549 1.363 12.496 1.00 73.20 H new ATOM 981 N THR A 625 -2.896 1.291 7.459 1.00 61.44 N ATOM 982 CA THR A 625 -3.716 2.493 7.404 1.00 11.41 C ATOM 983 C THR A 625 -4.412 2.623 6.054 1.00 3.33 C ATOM 984 O THR A 625 -5.496 3.199 5.955 1.00 3.44 O ATOM 985 CB THR A 625 -2.876 3.760 7.659 1.00 63.12 C ATOM 986 OG1 THR A 625 -3.737 4.878 7.899 1.00 45.14 O ATOM 987 CG2 THR A 625 -1.970 4.055 6.473 1.00 2.21 C ATOM 0 H THR A 625 -1.891 1.466 7.447 1.00 61.44 H new ATOM 0 HA THR A 625 -4.466 2.399 8.189 1.00 11.41 H new ATOM 0 HB THR A 625 -2.254 3.587 8.537 1.00 63.12 H new ATOM 0 HG1 THR A 625 -3.196 5.679 8.062 1.00 45.14 H new ATOM 0 HG21 THR A 625 -1.387 4.953 6.675 1.00 2.21 H new ATOM 0 HG22 THR A 625 -1.296 3.214 6.312 1.00 2.21 H new ATOM 0 HG23 THR A 625 -2.577 4.210 5.581 1.00 2.21 H new ATOM 995 N LEU A 626 -3.784 2.083 5.015 1.00 62.04 N ATOM 996 CA LEU A 626 -4.344 2.138 3.669 1.00 62.55 C ATOM 997 C LEU A 626 -5.558 1.221 3.548 1.00 14.32 C ATOM 998 O LEU A 626 -6.642 1.659 3.160 1.00 10.30 O ATOM 999 CB LEU A 626 -3.285 1.740 2.639 1.00 71.10 C ATOM 1000 CG LEU A 626 -3.810 1.122 1.342 1.00 41.31 C ATOM 1001 CD1 LEU A 626 -4.683 2.117 0.593 1.00 50.24 C ATOM 1002 CD2 LEU A 626 -2.654 0.659 0.467 1.00 2.41 C ATOM 0 H LEU A 626 -2.887 1.602 5.079 1.00 62.04 H new ATOM 0 HA LEU A 626 -4.664 3.162 3.475 1.00 62.55 H new ATOM 0 HB2 LEU A 626 -2.702 2.625 2.386 1.00 71.10 H new ATOM 0 HB3 LEU A 626 -2.601 1.031 3.106 1.00 71.10 H new ATOM 0 HG LEU A 626 -4.419 0.254 1.595 1.00 41.31 H new ATOM 0 HD11 LEU A 626 -5.048 1.660 -0.327 1.00 50.24 H new ATOM 0 HD12 LEU A 626 -5.530 2.401 1.218 1.00 50.24 H new ATOM 0 HD13 LEU A 626 -4.098 3.004 0.351 1.00 50.24 H new ATOM 0 HD21 LEU A 626 -3.045 0.222 -0.452 1.00 2.41 H new ATOM 0 HD22 LEU A 626 -2.019 1.511 0.222 1.00 2.41 H new ATOM 0 HD23 LEU A 626 -2.068 -0.088 1.003 1.00 2.41 H new ATOM 1013 N VAL A 627 -5.369 -0.051 3.882 1.00 10.04 N ATOM 1014 CA VAL A 627 -6.450 -1.028 3.813 1.00 53.12 C ATOM 1015 C VAL A 627 -7.634 -0.598 4.671 1.00 60.13 C ATOM 1016 O VAL A 627 -8.787 -0.695 4.249 1.00 3.12 O ATOM 1017 CB VAL A 627 -5.977 -2.420 4.270 1.00 71.54 C ATOM 1018 CG1 VAL A 627 -5.374 -2.349 5.665 1.00 12.01 C ATOM 1019 CG2 VAL A 627 -7.128 -3.414 4.227 1.00 43.43 C ATOM 0 H VAL A 627 -4.478 -0.430 4.203 1.00 10.04 H new ATOM 0 HA VAL A 627 -6.762 -1.083 2.770 1.00 53.12 H new ATOM 0 HB VAL A 627 -5.203 -2.765 3.584 1.00 71.54 H new ATOM 0 HG11 VAL A 627 -5.046 -3.342 5.970 1.00 12.01 H new ATOM 0 HG12 VAL A 627 -4.521 -1.671 5.658 1.00 12.01 H new ATOM 0 HG13 VAL A 627 -6.123 -1.983 6.367 1.00 12.01 H new ATOM 0 HG21 VAL A 627 -6.776 -4.393 4.553 1.00 43.43 H new ATOM 0 HG22 VAL A 627 -7.925 -3.076 4.889 1.00 43.43 H new ATOM 0 HG23 VAL A 627 -7.508 -3.486 3.208 1.00 43.43 H new ATOM 1029 N HIS A 628 -7.343 -0.123 5.878 1.00 73.30 N ATOM 1030 CA HIS A 628 -8.383 0.323 6.796 1.00 24.14 C ATOM 1031 C HIS A 628 -9.225 1.429 6.167 1.00 23.10 C ATOM 1032 O HIS A 628 -10.445 1.470 6.338 1.00 12.11 O ATOM 1033 CB HIS A 628 -7.764 0.818 8.103 1.00 42.01 C ATOM 1034 CG HIS A 628 -7.641 -0.247 9.150 1.00 14.44 C ATOM 1035 ND1 HIS A 628 -7.540 -1.589 8.848 1.00 42.33 N ATOM 1036 CD2 HIS A 628 -7.603 -0.160 10.499 1.00 62.45 C ATOM 1037 CE1 HIS A 628 -7.445 -2.283 9.969 1.00 10.12 C ATOM 1038 NE2 HIS A 628 -7.481 -1.440 10.986 1.00 10.32 N ATOM 0 H HIS A 628 -6.394 -0.037 6.243 1.00 73.30 H new ATOM 0 HA HIS A 628 -9.031 -0.527 7.010 1.00 24.14 H new ATOM 0 HB2 HIS A 628 -6.775 1.227 7.895 1.00 42.01 H new ATOM 0 HB3 HIS A 628 -8.370 1.634 8.496 1.00 42.01 H new ATOM 0 HD2 HIS A 628 -7.658 0.746 11.085 1.00 62.45 H new ATOM 0 HE1 HIS A 628 -7.353 -3.357 10.041 1.00 10.12 H new ATOM 0 HE2 HIS A 628 -7.427 -1.697 11.972 1.00 10.32 H new ATOM 1045 N THR A 629 -8.567 2.326 5.440 1.00 1.51 N ATOM 1046 CA THR A 629 -9.253 3.435 4.787 1.00 65.52 C ATOM 1047 C THR A 629 -10.183 2.933 3.689 1.00 15.33 C ATOM 1048 O THR A 629 -11.204 3.556 3.394 1.00 51.54 O ATOM 1049 CB THR A 629 -8.253 4.436 4.182 1.00 54.11 C ATOM 1050 OG1 THR A 629 -8.624 5.774 4.535 1.00 32.34 O ATOM 1051 CG2 THR A 629 -8.202 4.301 2.667 1.00 43.22 C ATOM 0 H THR A 629 -7.559 2.307 5.288 1.00 1.51 H new ATOM 0 HA THR A 629 -9.840 3.941 5.554 1.00 65.52 H new ATOM 0 HB THR A 629 -7.264 4.216 4.584 1.00 54.11 H new ATOM 0 HG1 THR A 629 -7.982 6.405 4.148 1.00 32.34 H new ATOM 0 HG21 THR A 629 -7.489 5.018 2.262 1.00 43.22 H new ATOM 0 HG22 THR A 629 -7.891 3.291 2.402 1.00 43.22 H new ATOM 0 HG23 THR A 629 -9.190 4.497 2.251 1.00 43.22 H new ATOM 1059 N ALA A 630 -9.825 1.806 3.084 1.00 52.14 N ATOM 1060 CA ALA A 630 -10.629 1.221 2.019 1.00 61.30 C ATOM 1061 C ALA A 630 -12.071 1.015 2.470 1.00 20.52 C ATOM 1062 O ALA A 630 -13.010 1.399 1.772 1.00 44.25 O ATOM 1063 CB ALA A 630 -10.024 -0.099 1.564 1.00 54.21 C ATOM 0 H ALA A 630 -8.982 1.279 3.314 1.00 52.14 H new ATOM 0 HA ALA A 630 -10.633 1.915 1.179 1.00 61.30 H new ATOM 0 HB1 ALA A 630 -10.635 -0.524 0.768 1.00 54.21 H new ATOM 0 HB2 ALA A 630 -9.014 0.073 1.193 1.00 54.21 H new ATOM 0 HB3 ALA A 630 -9.989 -0.792 2.404 1.00 54.21 H new ATOM 1069 N SER A 631 -12.240 0.407 3.639 1.00 63.33 N ATOM 1070 CA SER A 631 -13.569 0.146 4.181 1.00 70.55 C ATOM 1071 C SER A 631 -13.482 -0.699 5.449 1.00 30.12 C ATOM 1072 O SER A 631 -13.880 -1.864 5.459 1.00 21.24 O ATOM 1073 CB SER A 631 -14.437 -0.564 3.140 1.00 73.05 C ATOM 1074 OG SER A 631 -15.595 -1.121 3.736 1.00 50.34 O ATOM 0 H SER A 631 -11.473 0.085 4.230 1.00 63.33 H new ATOM 0 HA SER A 631 -14.026 1.103 4.433 1.00 70.55 H new ATOM 0 HB2 SER A 631 -14.728 0.142 2.362 1.00 73.05 H new ATOM 0 HB3 SER A 631 -13.859 -1.351 2.656 1.00 73.05 H new ATOM 0 HG SER A 631 -15.332 -1.816 4.375 1.00 50.34 H new ATOM 1079 N ILE A 632 -12.960 -0.103 6.515 1.00 31.12 N ATOM 1080 CA ILE A 632 -12.821 -0.799 7.788 1.00 4.13 C ATOM 1081 C ILE A 632 -13.413 0.021 8.929 1.00 45.12 C ATOM 1082 O ILE A 632 -14.472 -0.310 9.461 1.00 61.23 O ATOM 1083 CB ILE A 632 -11.347 -1.109 8.104 1.00 13.13 C ATOM 1084 CG1 ILE A 632 -10.868 -2.310 7.285 1.00 24.44 C ATOM 1085 CG2 ILE A 632 -11.166 -1.370 9.591 1.00 10.23 C ATOM 1086 CD1 ILE A 632 -10.757 -2.025 5.803 1.00 22.33 C ATOM 0 H ILE A 632 -12.626 0.861 6.523 1.00 31.12 H new ATOM 0 HA ILE A 632 -13.368 -1.737 7.695 1.00 4.13 H new ATOM 0 HB ILE A 632 -10.744 -0.243 7.832 1.00 13.13 H new ATOM 0 HG12 ILE A 632 -9.896 -2.630 7.659 1.00 24.44 H new ATOM 0 HG13 ILE A 632 -11.557 -3.141 7.436 1.00 24.44 H new ATOM 0 HG21 ILE A 632 -10.118 -1.588 9.797 1.00 10.23 H new ATOM 0 HG22 ILE A 632 -11.471 -0.489 10.155 1.00 10.23 H new ATOM 0 HG23 ILE A 632 -11.779 -2.221 9.888 1.00 10.23 H new ATOM 0 HD11 ILE A 632 -10.412 -2.920 5.285 1.00 22.33 H new ATOM 0 HD12 ILE A 632 -11.733 -1.734 5.414 1.00 22.33 H new ATOM 0 HD13 ILE A 632 -10.046 -1.215 5.640 1.00 22.33 H new ATOM 1097 N ALA A 633 -12.722 1.094 9.300 1.00 73.32 N ATOM 1098 CA ALA A 633 -13.180 1.964 10.376 1.00 34.44 C ATOM 1099 C ALA A 633 -13.785 3.250 9.822 1.00 23.21 C ATOM 1100 O ALA A 633 -13.373 3.760 8.780 1.00 40.22 O ATOM 1101 CB ALA A 633 -12.031 2.284 11.321 1.00 23.41 C ATOM 0 H ALA A 633 -11.842 1.382 8.871 1.00 73.32 H new ATOM 0 HA ALA A 633 -13.956 1.437 10.931 1.00 34.44 H new ATOM 0 HB1 ALA A 633 -12.387 2.935 12.120 1.00 23.41 H new ATOM 0 HB2 ALA A 633 -11.645 1.360 11.751 1.00 23.41 H new ATOM 0 HB3 ALA A 633 -11.236 2.787 10.770 1.00 23.41 H new ATOM 1210 N PRO A 641 -9.509 12.432 -1.584 1.00 61.10 N ATOM 1211 CA PRO A 641 -9.452 11.628 -2.808 1.00 62.30 C ATOM 1212 C PRO A 641 -8.565 10.397 -2.651 1.00 73.21 C ATOM 1213 O PRO A 641 -7.377 10.510 -2.351 1.00 64.25 O ATOM 1214 CB PRO A 641 -8.854 12.589 -3.837 1.00 11.45 C ATOM 1215 CG PRO A 641 -8.071 13.568 -3.032 1.00 31.41 C ATOM 1216 CD PRO A 641 -8.810 13.720 -1.731 1.00 35.35 C ATOM 0 HA PRO A 641 -10.432 11.240 -3.087 1.00 62.30 H new ATOM 0 HB2 PRO A 641 -8.217 12.062 -4.548 1.00 11.45 H new ATOM 0 HB3 PRO A 641 -9.634 13.085 -4.415 1.00 11.45 H new ATOM 0 HG2 PRO A 641 -7.055 13.211 -2.864 1.00 31.41 H new ATOM 0 HG3 PRO A 641 -7.992 14.524 -3.550 1.00 31.41 H new ATOM 0 HD2 PRO A 641 -8.128 13.904 -0.901 1.00 35.35 H new ATOM 0 HD3 PRO A 641 -9.509 14.556 -1.761 1.00 35.35 H new ATOM 1221 N VAL A 642 -9.150 9.222 -2.858 1.00 60.34 N ATOM 1222 CA VAL A 642 -8.412 7.969 -2.741 1.00 50.31 C ATOM 1223 C VAL A 642 -8.695 7.053 -3.926 1.00 52.01 C ATOM 1224 O VAL A 642 -9.839 6.865 -4.339 1.00 21.04 O ATOM 1225 CB VAL A 642 -8.766 7.229 -1.438 1.00 71.41 C ATOM 1226 CG1 VAL A 642 -10.273 7.090 -1.294 1.00 0.14 C ATOM 1227 CG2 VAL A 642 -8.091 5.866 -1.401 1.00 45.05 C ATOM 0 H VAL A 642 -10.133 9.111 -3.108 1.00 60.34 H new ATOM 0 HA VAL A 642 -7.353 8.225 -2.728 1.00 50.31 H new ATOM 0 HB VAL A 642 -8.398 7.816 -0.596 1.00 71.41 H new ATOM 0 HG11 VAL A 642 -10.503 6.564 -0.367 1.00 0.14 H new ATOM 0 HG12 VAL A 642 -10.729 8.080 -1.273 1.00 0.14 H new ATOM 0 HG13 VAL A 642 -10.669 6.526 -2.139 1.00 0.14 H new ATOM 0 HG21 VAL A 642 -8.351 5.356 -0.474 1.00 45.05 H new ATOM 0 HG22 VAL A 642 -8.427 5.270 -2.250 1.00 45.05 H new ATOM 0 HG23 VAL A 642 -7.010 5.994 -1.453 1.00 45.05 H new ATOM 1237 N PRO A 643 -7.627 6.465 -4.488 1.00 11.40 N ATOM 1238 CA PRO A 643 -7.734 5.557 -5.633 1.00 14.13 C ATOM 1239 C PRO A 643 -8.391 4.232 -5.262 1.00 32.20 C ATOM 1240 O PRO A 643 -7.986 3.576 -4.303 1.00 63.54 O ATOM 1241 CB PRO A 643 -6.277 5.335 -6.047 1.00 31.41 C ATOM 1242 CG PRO A 643 -5.490 5.580 -4.807 1.00 70.41 C ATOM 1243 CD PRO A 643 -6.233 6.643 -4.047 1.00 2.42 C ATOM 0 HA PRO A 643 -8.358 5.971 -6.425 1.00 14.13 H new ATOM 0 HB2 PRO A 643 -6.121 4.323 -6.421 1.00 31.41 H new ATOM 0 HB3 PRO A 643 -5.983 6.018 -6.844 1.00 31.41 H new ATOM 0 HG2 PRO A 643 -5.400 4.669 -4.216 1.00 70.41 H new ATOM 0 HG3 PRO A 643 -4.478 5.907 -5.046 1.00 70.41 H new ATOM 0 HD2 PRO A 643 -6.132 6.512 -2.970 1.00 2.42 H new ATOM 0 HD3 PRO A 643 -5.861 7.640 -4.283 1.00 2.42 H new ATOM 1248 N GLN A 644 -9.406 3.844 -6.029 1.00 52.44 N ATOM 1249 CA GLN A 644 -10.117 2.596 -5.779 1.00 64.02 C ATOM 1250 C GLN A 644 -9.241 1.393 -6.113 1.00 31.44 C ATOM 1251 O GLN A 644 -9.430 0.305 -5.570 1.00 51.34 O ATOM 1252 CB GLN A 644 -11.406 2.547 -6.600 1.00 20.25 C ATOM 1253 CG GLN A 644 -12.278 1.340 -6.294 1.00 41.11 C ATOM 1254 CD GLN A 644 -13.669 1.459 -6.884 1.00 31.22 C ATOM 1255 OE1 GLN A 644 -13.829 1.681 -8.085 1.00 62.34 O ATOM 1256 NE2 GLN A 644 -14.684 1.311 -6.042 1.00 3.31 N ATOM 0 H GLN A 644 -9.753 4.375 -6.827 1.00 52.44 H new ATOM 0 HA GLN A 644 -10.367 2.556 -4.719 1.00 64.02 H new ATOM 0 HB2 GLN A 644 -11.979 3.455 -6.415 1.00 20.25 H new ATOM 0 HB3 GLN A 644 -11.152 2.541 -7.660 1.00 20.25 H new ATOM 0 HG2 GLN A 644 -11.798 0.442 -6.683 1.00 41.11 H new ATOM 0 HG3 GLN A 644 -12.355 1.217 -5.214 1.00 41.11 H new ATOM 0 HE21 GLN A 644 -14.505 1.128 -5.055 1.00 3.31 H new ATOM 0 HE22 GLN A 644 -15.643 1.380 -6.382 1.00 3.31 H new ATOM 1263 N ASP A 645 -8.285 1.596 -7.012 1.00 53.53 N ATOM 1264 CA ASP A 645 -7.378 0.528 -7.419 1.00 11.55 C ATOM 1265 C ASP A 645 -6.510 0.077 -6.249 1.00 2.03 C ATOM 1266 O ASP A 645 -6.243 -1.115 -6.084 1.00 5.21 O ATOM 1267 CB ASP A 645 -6.494 0.995 -8.576 1.00 53.04 C ATOM 1268 CG ASP A 645 -5.742 -0.150 -9.228 1.00 54.33 C ATOM 1269 OD1 ASP A 645 -6.295 -0.769 -10.161 1.00 42.32 O ATOM 1270 OD2 ASP A 645 -4.600 -0.426 -8.805 1.00 51.52 O ATOM 0 H ASP A 645 -8.117 2.490 -7.473 1.00 53.53 H new ATOM 0 HA ASP A 645 -7.979 -0.319 -7.750 1.00 11.55 H new ATOM 0 HB2 ASP A 645 -7.112 1.493 -9.324 1.00 53.04 H new ATOM 0 HB3 ASP A 645 -5.780 1.733 -8.209 1.00 53.04 H new ATOM 1274 N LEU A 646 -6.072 1.035 -5.440 1.00 32.31 N ATOM 1275 CA LEU A 646 -5.233 0.736 -4.285 1.00 74.34 C ATOM 1276 C LEU A 646 -6.058 0.130 -3.154 1.00 41.12 C ATOM 1277 O LEU A 646 -5.635 -0.830 -2.508 1.00 73.11 O ATOM 1278 CB LEU A 646 -4.532 2.005 -3.797 1.00 53.23 C ATOM 1279 CG LEU A 646 -3.753 2.790 -4.853 1.00 54.15 C ATOM 1280 CD1 LEU A 646 -2.869 3.839 -4.195 1.00 64.01 C ATOM 1281 CD2 LEU A 646 -2.918 1.848 -5.709 1.00 11.44 C ATOM 0 H LEU A 646 -6.284 2.025 -5.562 1.00 32.31 H new ATOM 0 HA LEU A 646 -4.482 0.008 -4.592 1.00 74.34 H new ATOM 0 HB2 LEU A 646 -5.282 2.666 -3.362 1.00 53.23 H new ATOM 0 HB3 LEU A 646 -3.845 1.731 -2.996 1.00 53.23 H new ATOM 0 HG LEU A 646 -4.467 3.300 -5.499 1.00 54.15 H new ATOM 0 HD11 LEU A 646 -2.322 4.387 -4.962 1.00 64.01 H new ATOM 0 HD12 LEU A 646 -3.489 4.532 -3.626 1.00 64.01 H new ATOM 0 HD13 LEU A 646 -2.162 3.350 -3.525 1.00 64.01 H new ATOM 0 HD21 LEU A 646 -2.370 2.424 -6.455 1.00 11.44 H new ATOM 0 HD22 LEU A 646 -2.212 1.310 -5.076 1.00 11.44 H new ATOM 0 HD23 LEU A 646 -3.573 1.135 -6.210 1.00 11.44 H new ATOM 1292 N LEU A 647 -7.236 0.695 -2.921 1.00 23.15 N ATOM 1293 CA LEU A 647 -8.124 0.210 -1.869 1.00 33.11 C ATOM 1294 C LEU A 647 -8.658 -1.179 -2.206 1.00 2.43 C ATOM 1295 O LEU A 647 -8.844 -2.014 -1.321 1.00 73.41 O ATOM 1296 CB LEU A 647 -9.288 1.182 -1.668 1.00 41.14 C ATOM 1297 CG LEU A 647 -8.915 2.585 -1.188 1.00 60.30 C ATOM 1298 CD1 LEU A 647 -10.164 3.382 -0.845 1.00 30.41 C ATOM 1299 CD2 LEU A 647 -7.983 2.508 0.012 1.00 12.14 C ATOM 0 H LEU A 647 -7.600 1.490 -3.446 1.00 23.15 H new ATOM 0 HA LEU A 647 -7.551 0.145 -0.944 1.00 33.11 H new ATOM 0 HB2 LEU A 647 -9.826 1.274 -2.612 1.00 41.14 H new ATOM 0 HB3 LEU A 647 -9.980 0.745 -0.948 1.00 41.14 H new ATOM 0 HG LEU A 647 -8.393 3.097 -1.996 1.00 60.30 H new ATOM 0 HD11 LEU A 647 -9.878 4.378 -0.505 1.00 30.41 H new ATOM 0 HD12 LEU A 647 -10.795 3.467 -1.729 1.00 30.41 H new ATOM 0 HD13 LEU A 647 -10.715 2.873 -0.054 1.00 30.41 H new ATOM 0 HD21 LEU A 647 -7.728 3.516 0.340 1.00 12.14 H new ATOM 0 HD22 LEU A 647 -8.479 1.977 0.824 1.00 12.14 H new ATOM 0 HD23 LEU A 647 -7.073 1.976 -0.267 1.00 12.14 H new ATOM 1310 N ASP A 648 -8.901 -1.418 -3.490 1.00 71.01 N ATOM 1311 CA ASP A 648 -9.410 -2.707 -3.944 1.00 23.30 C ATOM 1312 C ASP A 648 -8.325 -3.776 -3.872 1.00 24.32 C ATOM 1313 O ASP A 648 -8.589 -4.918 -3.494 1.00 4.12 O ATOM 1314 CB ASP A 648 -9.938 -2.594 -5.376 1.00 65.22 C ATOM 1315 CG ASP A 648 -10.107 -3.948 -6.038 1.00 55.33 C ATOM 1316 OD1 ASP A 648 -11.172 -4.573 -5.851 1.00 40.45 O ATOM 1317 OD2 ASP A 648 -9.173 -4.382 -6.745 1.00 72.12 O ATOM 0 H ASP A 648 -8.754 -0.736 -4.234 1.00 71.01 H new ATOM 0 HA ASP A 648 -10.227 -3.000 -3.285 1.00 23.30 H new ATOM 0 HB2 ASP A 648 -10.896 -2.075 -5.367 1.00 65.22 H new ATOM 0 HB3 ASP A 648 -9.252 -1.987 -5.967 1.00 65.22 H new ATOM 1321 N ARG A 649 -7.104 -3.399 -4.236 1.00 73.41 N ATOM 1322 CA ARG A 649 -5.980 -4.327 -4.215 1.00 44.31 C ATOM 1323 C ARG A 649 -5.514 -4.583 -2.785 1.00 22.20 C ATOM 1324 O ARG A 649 -5.328 -5.730 -2.377 1.00 71.11 O ATOM 1325 CB ARG A 649 -4.822 -3.777 -5.049 1.00 54.32 C ATOM 1326 CG ARG A 649 -4.961 -4.048 -6.538 1.00 61.22 C ATOM 1327 CD ARG A 649 -4.285 -5.352 -6.933 1.00 1.15 C ATOM 1328 NE ARG A 649 -4.250 -5.534 -8.381 1.00 11.04 N ATOM 1329 CZ ARG A 649 -3.457 -6.406 -8.994 1.00 30.04 C ATOM 1330 NH1 ARG A 649 -2.639 -7.173 -8.287 1.00 13.14 N ATOM 1331 NH2 ARG A 649 -3.483 -6.514 -10.316 1.00 2.44 N ATOM 0 H ARG A 649 -6.868 -2.457 -4.549 1.00 73.41 H new ATOM 0 HA ARG A 649 -6.312 -5.272 -4.646 1.00 44.31 H new ATOM 0 HB2 ARG A 649 -4.749 -2.701 -4.889 1.00 54.32 H new ATOM 0 HB3 ARG A 649 -3.889 -4.216 -4.694 1.00 54.32 H new ATOM 0 HG2 ARG A 649 -6.017 -4.089 -6.804 1.00 61.22 H new ATOM 0 HG3 ARG A 649 -4.522 -3.224 -7.101 1.00 61.22 H new ATOM 0 HD2 ARG A 649 -3.268 -5.366 -6.541 1.00 1.15 H new ATOM 0 HD3 ARG A 649 -4.814 -6.188 -6.475 1.00 1.15 H new ATOM 0 HE ARG A 649 -4.869 -4.960 -8.954 1.00 11.04 H new ATOM 0 HH11 ARG A 649 -2.618 -7.094 -7.270 1.00 13.14 H new ATOM 0 HH12 ARG A 649 -2.031 -7.842 -8.760 1.00 13.14 H new ATOM 0 HH21 ARG A 649 -4.112 -5.927 -10.863 1.00 2.44 H new ATOM 0 HH22 ARG A 649 -2.873 -7.184 -10.785 1.00 2.44 H new ATOM 1342 N VAL A 650 -5.327 -3.507 -2.026 1.00 21.42 N ATOM 1343 CA VAL A 650 -4.883 -3.616 -0.642 1.00 41.31 C ATOM 1344 C VAL A 650 -5.819 -4.507 0.167 1.00 71.32 C ATOM 1345 O VAL A 650 -5.380 -5.244 1.052 1.00 3.32 O ATOM 1346 CB VAL A 650 -4.802 -2.232 0.031 1.00 13.01 C ATOM 1347 CG1 VAL A 650 -6.196 -1.685 0.297 1.00 62.31 C ATOM 1348 CG2 VAL A 650 -3.997 -2.313 1.319 1.00 50.03 C ATOM 0 H VAL A 650 -5.476 -2.550 -2.347 1.00 21.42 H new ATOM 0 HA VAL A 650 -3.889 -4.062 -0.662 1.00 41.31 H new ATOM 0 HB VAL A 650 -4.293 -1.547 -0.647 1.00 13.01 H new ATOM 0 HG11 VAL A 650 -6.119 -0.707 0.772 1.00 62.31 H new ATOM 0 HG12 VAL A 650 -6.735 -1.589 -0.646 1.00 62.31 H new ATOM 0 HG13 VAL A 650 -6.735 -2.367 0.955 1.00 62.31 H new ATOM 0 HG21 VAL A 650 -3.950 -1.327 1.781 1.00 50.03 H new ATOM 0 HG22 VAL A 650 -4.476 -3.012 2.004 1.00 50.03 H new ATOM 0 HG23 VAL A 650 -2.987 -2.658 1.096 1.00 50.03 H new ATOM 1358 N LEU A 651 -7.109 -4.437 -0.143 1.00 74.23 N ATOM 1359 CA LEU A 651 -8.108 -5.240 0.555 1.00 15.20 C ATOM 1360 C LEU A 651 -8.015 -6.704 0.141 1.00 23.45 C ATOM 1361 O LEU A 651 -8.188 -7.604 0.963 1.00 33.24 O ATOM 1362 CB LEU A 651 -9.512 -4.704 0.268 1.00 55.43 C ATOM 1363 CG LEU A 651 -9.924 -3.453 1.044 1.00 63.24 C ATOM 1364 CD1 LEU A 651 -11.223 -2.887 0.494 1.00 20.33 C ATOM 1365 CD2 LEU A 651 -10.065 -3.768 2.527 1.00 54.24 C ATOM 0 H LEU A 651 -7.488 -3.833 -0.872 1.00 74.23 H new ATOM 0 HA LEU A 651 -7.912 -5.172 1.625 1.00 15.20 H new ATOM 0 HB2 LEU A 651 -9.586 -4.487 -0.798 1.00 55.43 H new ATOM 0 HB3 LEU A 651 -10.232 -5.494 0.483 1.00 55.43 H new ATOM 0 HG LEU A 651 -9.144 -2.701 0.924 1.00 63.24 H new ATOM 0 HD11 LEU A 651 -11.500 -1.997 1.059 1.00 20.33 H new ATOM 0 HD12 LEU A 651 -11.090 -2.624 -0.555 1.00 20.33 H new ATOM 0 HD13 LEU A 651 -12.012 -3.634 0.583 1.00 20.33 H new ATOM 0 HD21 LEU A 651 -10.359 -2.866 3.064 1.00 54.24 H new ATOM 0 HD22 LEU A 651 -10.826 -4.537 2.665 1.00 54.24 H new ATOM 0 HD23 LEU A 651 -9.112 -4.127 2.915 1.00 54.24 H new ATOM 1376 N ALA A 652 -7.740 -6.936 -1.139 1.00 60.25 N ATOM 1377 CA ALA A 652 -7.620 -8.292 -1.661 1.00 0.11 C ATOM 1378 C ALA A 652 -6.553 -9.078 -0.907 1.00 61.53 C ATOM 1379 O ALA A 652 -6.809 -10.179 -0.419 1.00 12.11 O ATOM 1380 CB ALA A 652 -7.301 -8.258 -3.148 1.00 21.41 C ATOM 0 H ALA A 652 -7.596 -6.203 -1.833 1.00 60.25 H new ATOM 0 HA ALA A 652 -8.575 -8.797 -1.517 1.00 0.11 H new ATOM 0 HB1 ALA A 652 -7.214 -9.277 -3.525 1.00 21.41 H new ATOM 0 HB2 ALA A 652 -8.100 -7.741 -3.680 1.00 21.41 H new ATOM 0 HB3 ALA A 652 -6.360 -7.731 -3.306 1.00 21.41 H new ATOM 1386 N ALA A 653 -5.357 -8.507 -0.816 1.00 54.25 N ATOM 1387 CA ALA A 653 -4.251 -9.155 -0.120 1.00 23.21 C ATOM 1388 C ALA A 653 -4.485 -9.171 1.386 1.00 23.23 C ATOM 1389 O ALA A 653 -4.263 -10.185 2.048 1.00 65.22 O ATOM 1390 CB ALA A 653 -2.940 -8.454 -0.445 1.00 65.22 C ATOM 0 H ALA A 653 -5.128 -7.597 -1.215 1.00 54.25 H new ATOM 0 HA ALA A 653 -4.193 -10.188 -0.463 1.00 23.21 H new ATOM 0 HB1 ALA A 653 -2.123 -8.948 0.081 1.00 65.22 H new ATOM 0 HB2 ALA A 653 -2.760 -8.499 -1.519 1.00 65.22 H new ATOM 0 HB3 ALA A 653 -2.997 -7.412 -0.130 1.00 65.22 H new ATOM 1396 N HIS A 654 -4.936 -8.042 1.923 1.00 2.12 N ATOM 1397 CA HIS A 654 -5.201 -7.927 3.353 1.00 71.44 C ATOM 1398 C HIS A 654 -6.184 -8.999 3.812 1.00 31.15 C ATOM 1399 O HIS A 654 -5.992 -9.628 4.851 1.00 41.32 O ATOM 1400 CB HIS A 654 -5.751 -6.539 3.682 1.00 72.12 C ATOM 1401 CG HIS A 654 -6.232 -6.404 5.093 1.00 5.41 C ATOM 1402 ND1 HIS A 654 -7.568 -6.397 5.436 1.00 32.12 N ATOM 1403 CD2 HIS A 654 -5.547 -6.272 6.254 1.00 54.20 C ATOM 1404 CE1 HIS A 654 -7.683 -6.264 6.745 1.00 65.52 C ATOM 1405 NE2 HIS A 654 -6.471 -6.188 7.265 1.00 44.32 N ATOM 0 H HIS A 654 -5.126 -7.194 1.390 1.00 2.12 H new ATOM 0 HA HIS A 654 -4.260 -8.071 3.884 1.00 71.44 H new ATOM 0 HB2 HIS A 654 -4.974 -5.797 3.499 1.00 72.12 H new ATOM 0 HB3 HIS A 654 -6.574 -6.313 3.003 1.00 72.12 H new ATOM 0 HD2 HIS A 654 -4.473 -6.239 6.364 1.00 54.20 H new ATOM 0 HE1 HIS A 654 -8.611 -6.224 7.297 1.00 65.52 H new ATOM 0 HE2 HIS A 654 -6.257 -6.084 8.257 1.00 44.32 H new ATOM 1412 N ALA A 655 -7.240 -9.201 3.028 1.00 54.34 N ATOM 1413 CA ALA A 655 -8.252 -10.197 3.353 1.00 61.44 C ATOM 1414 C ALA A 655 -7.766 -11.604 3.020 1.00 53.31 C ATOM 1415 O ALA A 655 -7.900 -12.524 3.826 1.00 64.43 O ATOM 1416 CB ALA A 655 -9.547 -9.895 2.612 1.00 54.14 C ATOM 0 H ALA A 655 -7.415 -8.688 2.164 1.00 54.34 H new ATOM 0 HA ALA A 655 -8.440 -10.150 4.426 1.00 61.44 H new ATOM 0 HB1 ALA A 655 -10.294 -10.647 2.864 1.00 54.14 H new ATOM 0 HB2 ALA A 655 -9.911 -8.910 2.903 1.00 54.14 H new ATOM 0 HB3 ALA A 655 -9.364 -9.912 1.538 1.00 54.14 H new ATOM 1422 N TYR A 656 -7.201 -11.762 1.828 1.00 64.13 N ATOM 1423 CA TYR A 656 -6.697 -13.058 1.388 1.00 60.21 C ATOM 1424 C TYR A 656 -5.690 -13.619 2.387 1.00 71.24 C ATOM 1425 O TYR A 656 -5.794 -14.770 2.809 1.00 74.45 O ATOM 1426 CB TYR A 656 -6.049 -12.934 0.008 1.00 52.34 C ATOM 1427 CG TYR A 656 -5.343 -14.192 -0.445 1.00 43.15 C ATOM 1428 CD1 TYR A 656 -6.062 -15.288 -0.905 1.00 70.03 C ATOM 1429 CD2 TYR A 656 -3.957 -14.285 -0.412 1.00 54.12 C ATOM 1430 CE1 TYR A 656 -5.421 -16.440 -1.319 1.00 62.23 C ATOM 1431 CE2 TYR A 656 -3.308 -15.432 -0.826 1.00 54.24 C ATOM 1432 CZ TYR A 656 -4.044 -16.507 -1.277 1.00 23.52 C ATOM 1433 OH TYR A 656 -3.402 -17.652 -1.690 1.00 41.13 O ATOM 0 H TYR A 656 -7.081 -11.010 1.150 1.00 64.13 H new ATOM 0 HA TYR A 656 -7.540 -13.746 1.326 1.00 60.21 H new ATOM 0 HB2 TYR A 656 -6.816 -12.675 -0.722 1.00 52.34 H new ATOM 0 HB3 TYR A 656 -5.334 -12.112 0.024 1.00 52.34 H new ATOM 0 HD1 TYR A 656 -7.140 -15.239 -0.940 1.00 70.03 H new ATOM 0 HD2 TYR A 656 -3.377 -13.446 -0.057 1.00 54.12 H new ATOM 0 HE1 TYR A 656 -5.995 -17.283 -1.674 1.00 62.23 H new ATOM 0 HE2 TYR A 656 -2.230 -15.486 -0.797 1.00 54.24 H new ATOM 0 HH TYR A 656 -2.433 -17.535 -1.598 1.00 41.13 H new ATOM 1442 N TRP A 657 -4.716 -12.797 2.760 1.00 24.00 N ATOM 1443 CA TRP A 657 -3.689 -13.209 3.710 1.00 24.12 C ATOM 1444 C TRP A 657 -4.268 -13.342 5.114 1.00 25.42 C ATOM 1445 O TRP A 657 -3.811 -14.164 5.910 1.00 14.52 O ATOM 1446 CB TRP A 657 -2.535 -12.205 3.714 1.00 25.23 C ATOM 1447 CG TRP A 657 -1.731 -12.220 2.450 1.00 32.51 C ATOM 1448 CD1 TRP A 657 -1.562 -11.186 1.573 1.00 71.31 C ATOM 1449 CD2 TRP A 657 -0.989 -13.324 1.919 1.00 54.21 C ATOM 1450 NE1 TRP A 657 -0.759 -11.580 0.530 1.00 71.10 N ATOM 1451 CE2 TRP A 657 -0.393 -12.886 0.719 1.00 62.31 C ATOM 1452 CE3 TRP A 657 -0.767 -14.637 2.341 1.00 71.13 C ATOM 1453 CZ2 TRP A 657 0.406 -13.718 -0.061 1.00 11.10 C ATOM 1454 CZ3 TRP A 657 0.027 -15.461 1.566 1.00 45.10 C ATOM 1455 CH2 TRP A 657 0.607 -14.999 0.377 1.00 21.43 C ATOM 0 H TRP A 657 -4.616 -11.841 2.419 1.00 24.00 H new ATOM 0 HA TRP A 657 -3.312 -14.183 3.399 1.00 24.12 H new ATOM 0 HB2 TRP A 657 -2.935 -11.203 3.870 1.00 25.23 H new ATOM 0 HB3 TRP A 657 -1.878 -12.421 4.557 1.00 25.23 H new ATOM 0 HD1 TRP A 657 -1.996 -10.203 1.683 1.00 71.31 H new ATOM 0 HE1 TRP A 657 -0.481 -10.995 -0.257 1.00 71.10 H new ATOM 0 HE3 TRP A 657 -1.208 -15.002 3.257 1.00 71.13 H new ATOM 0 HZ2 TRP A 657 0.851 -13.365 -0.979 1.00 11.10 H new ATOM 0 HZ3 TRP A 657 0.203 -16.478 1.882 1.00 45.10 H new ATOM 0 HH2 TRP A 657 1.225 -15.667 -0.205 1.00 21.43 H new ATOM 1465 N SER A 658 -5.278 -12.530 5.413 1.00 74.12 N ATOM 1466 CA SER A 658 -5.916 -12.555 6.723 1.00 64.22 C ATOM 1467 C SER A 658 -6.490 -13.937 7.022 1.00 40.22 C ATOM 1468 O SER A 658 -6.489 -14.386 8.167 1.00 64.02 O ATOM 1469 CB SER A 658 -7.026 -11.504 6.794 1.00 75.31 C ATOM 1470 OG SER A 658 -7.896 -11.752 7.884 1.00 54.44 O ATOM 0 H SER A 658 -5.671 -11.847 4.765 1.00 74.12 H new ATOM 0 HA SER A 658 -5.159 -12.325 7.472 1.00 64.22 H new ATOM 0 HB2 SER A 658 -6.586 -10.512 6.895 1.00 75.31 H new ATOM 0 HB3 SER A 658 -7.594 -11.507 5.864 1.00 75.31 H new ATOM 0 HG SER A 658 -8.595 -11.065 7.907 1.00 54.44 H new ATOM 1475 N GLN A 659 -6.979 -14.605 5.982 1.00 61.02 N ATOM 1476 CA GLN A 659 -7.557 -15.935 6.133 1.00 31.34 C ATOM 1477 C GLN A 659 -6.553 -16.896 6.760 1.00 61.11 C ATOM 1478 O GLN A 659 -6.934 -17.893 7.373 1.00 25.22 O ATOM 1479 CB GLN A 659 -8.015 -16.472 4.775 1.00 4.42 C ATOM 1480 CG GLN A 659 -8.904 -17.701 4.876 1.00 54.12 C ATOM 1481 CD GLN A 659 -9.048 -18.426 3.553 1.00 22.04 C ATOM 1482 OE1 GLN A 659 -10.126 -18.446 2.956 1.00 72.22 O ATOM 1483 NE2 GLN A 659 -7.960 -19.028 3.085 1.00 11.55 N ATOM 0 H GLN A 659 -6.986 -14.247 5.027 1.00 61.02 H new ATOM 0 HA GLN A 659 -8.420 -15.856 6.795 1.00 31.34 H new ATOM 0 HB2 GLN A 659 -8.554 -15.686 4.246 1.00 4.42 H new ATOM 0 HB3 GLN A 659 -7.138 -16.716 4.176 1.00 4.42 H new ATOM 0 HG2 GLN A 659 -8.490 -18.384 5.617 1.00 54.12 H new ATOM 0 HG3 GLN A 659 -9.890 -17.403 5.232 1.00 54.12 H new ATOM 0 HE21 GLN A 659 -7.088 -18.986 3.612 1.00 11.55 H new ATOM 0 HE22 GLN A 659 -7.997 -19.532 2.199 1.00 11.55 H new