USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 448 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 581 SER OG : rot 35:sc= 0.0645 USER MOD Single : A 594 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 597 THR OG1 : rot 180:sc= 0 USER MOD Single : A 604 LYS NZ :NH3+ -153:sc= -0.154 (180deg=-0.697) USER MOD Single : A 605 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 616 TYR OH : rot 180:sc= 0 USER MOD Single : A 620 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 622 LYS NZ :NH3+ -133:sc= -0.431 (180deg=-1.66!) 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=-0.00678 X(o=-0.0068,f=-0.00067) USER MOD Single : A 629 THR OG1 : rot 72:sc= 1.23 USER MOD Single : A 631 SER OG : rot 56:sc= 1.18 USER MOD Single : A 644 GLN : amide:sc= -0.0599 K(o=-0.06,f=-0.62) USER MOD Single : A 654 HIS : no HE2:sc= -8.58! C(o=-8.6!,f=-11!) 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= -0.416 K(o=-0.42,f=-1) USER MOD ----------------------------------------------------------------- ATOM 321 N SER A 581 1.996 9.904 -2.161 1.00 53.44 N ATOM 322 CA SER A 581 0.936 10.195 -3.119 1.00 15.41 C ATOM 323 C SER A 581 0.304 8.907 -3.637 1.00 35.32 C ATOM 324 O SER A 581 0.686 7.808 -3.233 1.00 10.02 O ATOM 325 CB SER A 581 1.489 11.013 -4.288 1.00 25.43 C ATOM 326 OG SER A 581 2.060 12.228 -3.837 1.00 52.53 O ATOM 0 HA SER A 581 0.167 10.776 -2.610 1.00 15.41 H new ATOM 0 HB2 SER A 581 2.241 10.430 -4.820 1.00 25.43 H new ATOM 0 HB3 SER A 581 0.689 11.225 -4.998 1.00 25.43 H new ATOM 0 HG SER A 581 2.491 12.085 -2.968 1.00 52.53 H new ATOM 331 N VAL A 582 -0.665 9.051 -4.536 1.00 51.03 N ATOM 332 CA VAL A 582 -1.350 7.900 -5.113 1.00 53.21 C ATOM 333 C VAL A 582 -0.374 6.996 -5.858 1.00 45.43 C ATOM 334 O VAL A 582 -0.440 5.772 -5.748 1.00 32.33 O ATOM 335 CB VAL A 582 -2.467 8.338 -6.078 1.00 25.51 C ATOM 336 CG1 VAL A 582 -3.135 7.125 -6.707 1.00 70.22 C ATOM 337 CG2 VAL A 582 -3.488 9.203 -5.355 1.00 14.51 C ATOM 0 H VAL A 582 -0.993 9.953 -4.880 1.00 51.03 H new ATOM 0 HA VAL A 582 -1.792 7.347 -4.285 1.00 53.21 H new ATOM 0 HB VAL A 582 -2.021 8.932 -6.875 1.00 25.51 H new ATOM 0 HG11 VAL A 582 -3.922 7.454 -7.386 1.00 70.22 H new ATOM 0 HG12 VAL A 582 -2.395 6.549 -7.262 1.00 70.22 H new ATOM 0 HG13 VAL A 582 -3.568 6.502 -5.925 1.00 70.22 H new ATOM 0 HG21 VAL A 582 -4.270 9.503 -6.053 1.00 14.51 H new ATOM 0 HG22 VAL A 582 -3.931 8.636 -4.536 1.00 14.51 H new ATOM 0 HG23 VAL A 582 -2.996 10.091 -4.957 1.00 14.51 H new ATOM 347 N ALA A 583 0.531 7.608 -6.614 1.00 71.11 N ATOM 348 CA ALA A 583 1.522 6.858 -7.375 1.00 30.55 C ATOM 349 C ALA A 583 2.546 6.208 -6.453 1.00 52.24 C ATOM 350 O ALA A 583 3.075 5.137 -6.752 1.00 33.24 O ATOM 351 CB ALA A 583 2.215 7.768 -8.379 1.00 61.14 C ATOM 0 H ALA A 583 0.598 8.621 -6.716 1.00 71.11 H new ATOM 0 HA ALA A 583 1.005 6.065 -7.916 1.00 30.55 H new ATOM 0 HB1 ALA A 583 2.953 7.195 -8.941 1.00 61.14 H new ATOM 0 HB2 ALA A 583 1.476 8.181 -9.066 1.00 61.14 H new ATOM 0 HB3 ALA A 583 2.713 8.581 -7.850 1.00 61.14 H new ATOM 357 N GLU A 584 2.823 6.862 -5.328 1.00 73.42 N ATOM 358 CA GLU A 584 3.786 6.346 -4.363 1.00 72.11 C ATOM 359 C GLU A 584 3.194 5.185 -3.570 1.00 5.32 C ATOM 360 O GLU A 584 3.761 4.093 -3.528 1.00 35.34 O ATOM 361 CB GLU A 584 4.229 7.457 -3.408 1.00 15.22 C ATOM 362 CG GLU A 584 4.820 8.667 -4.114 1.00 65.24 C ATOM 363 CD GLU A 584 6.331 8.730 -3.998 1.00 22.43 C ATOM 364 OE1 GLU A 584 6.829 9.071 -2.906 1.00 2.34 O ATOM 365 OE2 GLU A 584 7.013 8.436 -5.001 1.00 31.30 O ATOM 0 H GLU A 584 2.394 7.749 -5.064 1.00 73.42 H new ATOM 0 HA GLU A 584 4.653 5.982 -4.913 1.00 72.11 H new ATOM 0 HB2 GLU A 584 3.373 7.776 -2.813 1.00 15.22 H new ATOM 0 HB3 GLU A 584 4.967 7.055 -2.714 1.00 15.22 H new ATOM 0 HG2 GLU A 584 4.541 8.640 -5.167 1.00 65.24 H new ATOM 0 HG3 GLU A 584 4.389 9.575 -3.693 1.00 65.24 H new ATOM 370 N VAL A 585 2.049 5.429 -2.941 1.00 13.44 N ATOM 371 CA VAL A 585 1.378 4.406 -2.149 1.00 72.43 C ATOM 372 C VAL A 585 1.133 3.146 -2.972 1.00 74.43 C ATOM 373 O VAL A 585 1.184 2.033 -2.451 1.00 64.23 O ATOM 374 CB VAL A 585 0.032 4.914 -1.598 1.00 13.23 C ATOM 375 CG1 VAL A 585 -0.668 3.821 -0.805 1.00 32.22 C ATOM 376 CG2 VAL A 585 0.242 6.153 -0.741 1.00 11.32 C ATOM 0 H VAL A 585 1.566 6.327 -2.965 1.00 13.44 H new ATOM 0 HA VAL A 585 2.038 4.170 -1.314 1.00 72.43 H new ATOM 0 HB VAL A 585 -0.606 5.184 -2.439 1.00 13.23 H new ATOM 0 HG11 VAL A 585 -1.617 4.199 -0.424 1.00 32.22 H new ATOM 0 HG12 VAL A 585 -0.852 2.963 -1.452 1.00 32.22 H new ATOM 0 HG13 VAL A 585 -0.037 3.516 0.030 1.00 32.22 H new ATOM 0 HG21 VAL A 585 -0.719 6.499 -0.360 1.00 11.32 H new ATOM 0 HG22 VAL A 585 0.898 5.910 0.095 1.00 11.32 H new ATOM 0 HG23 VAL A 585 0.698 6.939 -1.343 1.00 11.32 H new ATOM 386 N GLU A 586 0.870 3.331 -4.262 1.00 15.32 N ATOM 387 CA GLU A 586 0.618 2.209 -5.159 1.00 52.54 C ATOM 388 C GLU A 586 1.724 1.164 -5.046 1.00 41.44 C ATOM 389 O GLU A 586 1.485 -0.030 -5.227 1.00 73.40 O ATOM 390 CB GLU A 586 0.507 2.696 -6.604 1.00 33.22 C ATOM 391 CG GLU A 586 1.808 2.596 -7.382 1.00 73.35 C ATOM 392 CD GLU A 586 1.806 3.446 -8.637 1.00 2.12 C ATOM 393 OE1 GLU A 586 0.709 3.836 -9.088 1.00 23.41 O ATOM 394 OE2 GLU A 586 2.902 3.723 -9.168 1.00 72.30 O ATOM 0 H GLU A 586 0.826 4.247 -4.709 1.00 15.32 H new ATOM 0 HA GLU A 586 -0.325 1.748 -4.866 1.00 52.54 H new ATOM 0 HB2 GLU A 586 -0.259 2.114 -7.117 1.00 33.22 H new ATOM 0 HB3 GLU A 586 0.172 3.733 -6.604 1.00 33.22 H new ATOM 0 HG2 GLU A 586 2.634 2.904 -6.741 1.00 73.35 H new ATOM 0 HG3 GLU A 586 1.985 1.555 -7.653 1.00 73.35 H new ATOM 399 N ALA A 587 2.935 1.622 -4.746 1.00 41.51 N ATOM 400 CA ALA A 587 4.077 0.728 -4.608 1.00 41.44 C ATOM 401 C ALA A 587 3.955 -0.129 -3.352 1.00 70.24 C ATOM 402 O ALA A 587 4.325 -1.305 -3.351 1.00 34.43 O ATOM 403 CB ALA A 587 5.373 1.527 -4.579 1.00 23.52 C ATOM 0 H ALA A 587 3.150 2.607 -4.594 1.00 41.51 H new ATOM 0 HA ALA A 587 4.092 0.062 -5.471 1.00 41.44 H new ATOM 0 HB1 ALA A 587 6.218 0.846 -4.476 1.00 23.52 H new ATOM 0 HB2 ALA A 587 5.473 2.091 -5.506 1.00 23.52 H new ATOM 0 HB3 ALA A 587 5.357 2.216 -3.735 1.00 23.52 H new ATOM 409 N LEU A 588 3.435 0.465 -2.284 1.00 12.21 N ATOM 410 CA LEU A 588 3.264 -0.244 -1.020 1.00 75.23 C ATOM 411 C LEU A 588 2.330 -1.438 -1.188 1.00 11.34 C ATOM 412 O LEU A 588 2.684 -2.569 -0.857 1.00 71.12 O ATOM 413 CB LEU A 588 2.715 0.702 0.048 1.00 14.33 C ATOM 414 CG LEU A 588 3.053 0.347 1.497 1.00 14.21 C ATOM 415 CD1 LEU A 588 2.619 -1.075 1.813 1.00 12.20 C ATOM 416 CD2 LEU A 588 4.543 0.521 1.755 1.00 14.44 C ATOM 0 H LEU A 588 3.124 1.436 -2.268 1.00 12.21 H new ATOM 0 HA LEU A 588 4.240 -0.612 -0.703 1.00 75.23 H new ATOM 0 HB2 LEU A 588 3.090 1.705 -0.156 1.00 14.33 H new ATOM 0 HB3 LEU A 588 1.630 0.740 -0.052 1.00 14.33 H new ATOM 0 HG LEU A 588 2.509 1.026 2.154 1.00 14.21 H new ATOM 0 HD11 LEU A 588 2.868 -1.310 2.848 1.00 12.20 H new ATOM 0 HD12 LEU A 588 1.543 -1.168 1.668 1.00 12.20 H new ATOM 0 HD13 LEU A 588 3.135 -1.769 1.150 1.00 12.20 H new ATOM 0 HD21 LEU A 588 4.765 0.264 2.791 1.00 14.44 H new ATOM 0 HD22 LEU A 588 5.106 -0.133 1.090 1.00 14.44 H new ATOM 0 HD23 LEU A 588 4.826 1.557 1.569 1.00 14.44 H new ATOM 427 N VAL A 589 1.133 -1.177 -1.706 1.00 73.41 N ATOM 428 CA VAL A 589 0.149 -2.230 -1.922 1.00 22.23 C ATOM 429 C VAL A 589 0.616 -3.210 -2.992 1.00 60.34 C ATOM 430 O VAL A 589 0.487 -4.424 -2.835 1.00 40.52 O ATOM 431 CB VAL A 589 -1.216 -1.647 -2.337 1.00 53.33 C ATOM 432 CG1 VAL A 589 -1.071 -0.784 -3.581 1.00 72.31 C ATOM 433 CG2 VAL A 589 -2.225 -2.762 -2.565 1.00 63.11 C ATOM 0 H VAL A 589 0.822 -0.246 -1.983 1.00 73.41 H new ATOM 0 HA VAL A 589 0.039 -2.757 -0.974 1.00 22.23 H new ATOM 0 HB VAL A 589 -1.584 -1.017 -1.528 1.00 53.33 H new ATOM 0 HG11 VAL A 589 -2.045 -0.381 -3.860 1.00 72.31 H new ATOM 0 HG12 VAL A 589 -0.383 0.037 -3.376 1.00 72.31 H new ATOM 0 HG13 VAL A 589 -0.681 -1.389 -4.400 1.00 72.31 H new ATOM 0 HG21 VAL A 589 -3.183 -2.332 -2.857 1.00 63.11 H new ATOM 0 HG22 VAL A 589 -1.867 -3.421 -3.356 1.00 63.11 H new ATOM 0 HG23 VAL A 589 -2.350 -3.334 -1.645 1.00 63.11 H new ATOM 443 N GLU A 590 1.159 -2.675 -4.080 1.00 60.11 N ATOM 444 CA GLU A 590 1.646 -3.503 -5.177 1.00 22.22 C ATOM 445 C GLU A 590 2.609 -4.571 -4.666 1.00 73.40 C ATOM 446 O GLU A 590 2.491 -5.746 -5.014 1.00 55.33 O ATOM 447 CB GLU A 590 2.339 -2.637 -6.231 1.00 70.21 C ATOM 448 CG GLU A 590 1.390 -2.072 -7.275 1.00 63.41 C ATOM 449 CD GLU A 590 2.078 -1.123 -8.236 1.00 31.43 C ATOM 450 OE1 GLU A 590 3.307 -0.935 -8.109 1.00 25.22 O ATOM 451 OE2 GLU A 590 1.388 -0.567 -9.116 1.00 21.23 O ATOM 0 H GLU A 590 1.273 -1.672 -4.226 1.00 60.11 H new ATOM 0 HA GLU A 590 0.789 -3.999 -5.632 1.00 22.22 H new ATOM 0 HB2 GLU A 590 2.850 -1.813 -5.733 1.00 70.21 H new ATOM 0 HB3 GLU A 590 3.104 -3.231 -6.731 1.00 70.21 H new ATOM 0 HG2 GLU A 590 0.944 -2.893 -7.837 1.00 63.41 H new ATOM 0 HG3 GLU A 590 0.575 -1.549 -6.775 1.00 63.41 H new ATOM 456 N ALA A 591 3.562 -4.153 -3.840 1.00 73.21 N ATOM 457 CA ALA A 591 4.545 -5.072 -3.280 1.00 21.41 C ATOM 458 C ALA A 591 3.889 -6.060 -2.321 1.00 71.52 C ATOM 459 O ALA A 591 4.296 -7.218 -2.234 1.00 61.40 O ATOM 460 CB ALA A 591 5.647 -4.298 -2.572 1.00 40.25 C ATOM 0 H ALA A 591 3.674 -3.183 -3.544 1.00 73.21 H new ATOM 0 HA ALA A 591 4.984 -5.640 -4.100 1.00 21.41 H new ATOM 0 HB1 ALA A 591 6.374 -4.997 -2.158 1.00 40.25 H new ATOM 0 HB2 ALA A 591 6.142 -3.637 -3.283 1.00 40.25 H new ATOM 0 HB3 ALA A 591 5.215 -3.705 -1.766 1.00 40.25 H new ATOM 466 N VAL A 592 2.872 -5.594 -1.603 1.00 65.54 N ATOM 467 CA VAL A 592 2.160 -6.438 -0.651 1.00 11.50 C ATOM 468 C VAL A 592 1.253 -7.432 -1.368 1.00 11.52 C ATOM 469 O VAL A 592 0.950 -8.501 -0.842 1.00 70.31 O ATOM 470 CB VAL A 592 1.312 -5.595 0.320 1.00 11.41 C ATOM 471 CG1 VAL A 592 0.282 -6.465 1.024 1.00 23.44 C ATOM 472 CG2 VAL A 592 2.205 -4.889 1.330 1.00 44.03 C ATOM 0 H VAL A 592 2.523 -4.637 -1.662 1.00 65.54 H new ATOM 0 HA VAL A 592 2.915 -6.983 -0.085 1.00 11.50 H new ATOM 0 HB VAL A 592 0.780 -4.837 -0.254 1.00 11.41 H new ATOM 0 HG11 VAL A 592 -0.307 -5.852 1.706 1.00 23.44 H new ATOM 0 HG12 VAL A 592 -0.376 -6.920 0.284 1.00 23.44 H new ATOM 0 HG13 VAL A 592 0.791 -7.247 1.587 1.00 23.44 H new ATOM 0 HG21 VAL A 592 1.590 -4.298 2.009 1.00 44.03 H new ATOM 0 HG22 VAL A 592 2.766 -5.630 1.900 1.00 44.03 H new ATOM 0 HG23 VAL A 592 2.900 -4.233 0.805 1.00 44.03 H new ATOM 482 N GLU A 593 0.823 -7.069 -2.573 1.00 4.31 N ATOM 483 CA GLU A 593 -0.050 -7.929 -3.362 1.00 24.41 C ATOM 484 C GLU A 593 0.723 -9.116 -3.930 1.00 32.33 C ATOM 485 O GLU A 593 0.225 -10.242 -3.956 1.00 13.25 O ATOM 486 CB GLU A 593 -0.694 -7.134 -4.500 1.00 64.10 C ATOM 487 CG GLU A 593 -2.205 -7.021 -4.384 1.00 10.04 C ATOM 488 CD GLU A 593 -2.930 -8.178 -5.044 1.00 74.05 C ATOM 489 OE1 GLU A 593 -2.394 -9.306 -5.019 1.00 73.25 O ATOM 490 OE2 GLU A 593 -4.033 -7.956 -5.585 1.00 72.41 O ATOM 0 H GLU A 593 1.065 -6.186 -3.023 1.00 4.31 H new ATOM 0 HA GLU A 593 -0.833 -8.308 -2.705 1.00 24.41 H new ATOM 0 HB2 GLU A 593 -0.264 -6.133 -4.521 1.00 64.10 H new ATOM 0 HB3 GLU A 593 -0.445 -7.608 -5.449 1.00 64.10 H new ATOM 0 HG2 GLU A 593 -2.482 -6.977 -3.331 1.00 10.04 H new ATOM 0 HG3 GLU A 593 -2.531 -6.086 -4.839 1.00 10.04 H new ATOM 495 N HIS A 594 1.945 -8.854 -4.385 1.00 42.31 N ATOM 496 CA HIS A 594 2.789 -9.900 -4.953 1.00 33.02 C ATOM 497 C HIS A 594 3.569 -10.623 -3.859 1.00 11.23 C ATOM 498 O HIS A 594 3.619 -11.853 -3.827 1.00 34.33 O ATOM 499 CB HIS A 594 3.755 -9.303 -5.977 1.00 61.24 C ATOM 500 CG HIS A 594 4.093 -10.238 -7.097 1.00 73.24 C ATOM 501 ND1 HIS A 594 3.338 -10.341 -8.246 1.00 0.44 N ATOM 502 CD2 HIS A 594 5.114 -11.116 -7.240 1.00 32.23 C ATOM 503 CE1 HIS A 594 3.877 -11.242 -9.046 1.00 74.54 C ATOM 504 NE2 HIS A 594 4.957 -11.727 -8.460 1.00 0.12 N ATOM 0 H HIS A 594 2.372 -7.928 -4.371 1.00 42.31 H new ATOM 0 HA HIS A 594 2.144 -10.624 -5.452 1.00 33.02 H new ATOM 0 HB2 HIS A 594 3.316 -8.395 -6.392 1.00 61.24 H new ATOM 0 HB3 HIS A 594 4.674 -9.010 -5.470 1.00 61.24 H new ATOM 0 HD2 HIS A 594 5.904 -11.301 -6.528 1.00 32.23 H new ATOM 0 HE1 HIS A 594 3.499 -11.533 -10.015 1.00 74.54 H new ATOM 0 HE2 HIS A 594 5.574 -12.439 -8.850 1.00 0.12 H new ATOM 511 N LEU A 595 4.177 -9.851 -2.965 1.00 33.12 N ATOM 512 CA LEU A 595 4.957 -10.418 -1.870 1.00 10.45 C ATOM 513 C LEU A 595 4.045 -10.900 -0.746 1.00 31.01 C ATOM 514 O LEU A 595 4.418 -11.770 0.039 1.00 62.42 O ATOM 515 CB LEU A 595 5.944 -9.381 -1.332 1.00 42.24 C ATOM 516 CG LEU A 595 6.808 -8.672 -2.375 1.00 15.50 C ATOM 517 CD1 LEU A 595 7.458 -7.434 -1.778 1.00 52.42 C ATOM 518 CD2 LEU A 595 7.866 -9.618 -2.924 1.00 32.31 C ATOM 0 H LEU A 595 4.145 -8.832 -2.977 1.00 33.12 H new ATOM 0 HA LEU A 595 5.512 -11.273 -2.255 1.00 10.45 H new ATOM 0 HB2 LEU A 595 5.383 -8.626 -0.781 1.00 42.24 H new ATOM 0 HB3 LEU A 595 6.603 -9.873 -0.617 1.00 42.24 H new ATOM 0 HG LEU A 595 6.165 -8.359 -3.198 1.00 15.50 H new ATOM 0 HD11 LEU A 595 8.069 -6.943 -2.535 1.00 52.42 H new ATOM 0 HD12 LEU A 595 6.685 -6.747 -1.434 1.00 52.42 H new ATOM 0 HD13 LEU A 595 8.087 -7.723 -0.936 1.00 52.42 H new ATOM 0 HD21 LEU A 595 8.471 -9.096 -3.665 1.00 32.31 H new ATOM 0 HD22 LEU A 595 8.505 -9.961 -2.110 1.00 32.31 H new ATOM 0 HD23 LEU A 595 7.381 -10.475 -3.391 1.00 32.31 H new ATOM 529 N GLY A 596 2.846 -10.328 -0.676 1.00 34.42 N ATOM 530 CA GLY A 596 1.899 -10.714 0.353 1.00 42.01 C ATOM 531 C GLY A 596 2.075 -9.917 1.630 1.00 4.33 C ATOM 532 O GLY A 596 2.515 -8.767 1.599 1.00 32.33 O ATOM 0 H GLY A 596 2.514 -9.604 -1.314 1.00 34.42 H new ATOM 0 HA2 GLY A 596 0.884 -10.576 -0.021 1.00 42.01 H new ATOM 0 HA3 GLY A 596 2.017 -11.775 0.571 1.00 42.01 H new ATOM 536 N THR A 597 1.727 -10.527 2.759 1.00 13.32 N ATOM 537 CA THR A 597 1.845 -9.865 4.053 1.00 34.33 C ATOM 538 C THR A 597 2.840 -10.590 4.952 1.00 53.22 C ATOM 539 O THR A 597 2.715 -10.568 6.176 1.00 11.33 O ATOM 540 CB THR A 597 0.483 -9.787 4.771 1.00 72.53 C ATOM 541 OG1 THR A 597 -0.215 -11.029 4.631 1.00 41.21 O ATOM 542 CG2 THR A 597 -0.363 -8.657 4.204 1.00 64.14 C ATOM 0 H THR A 597 1.361 -11.478 2.804 1.00 13.32 H new ATOM 0 HA THR A 597 2.204 -8.854 3.860 1.00 34.33 H new ATOM 0 HB THR A 597 0.664 -9.589 5.828 1.00 72.53 H new ATOM 0 HG1 THR A 597 -1.078 -10.973 5.091 1.00 41.21 H new ATOM 0 HG21 THR A 597 -1.319 -8.621 4.726 1.00 64.14 H new ATOM 0 HG22 THR A 597 0.159 -7.709 4.338 1.00 64.14 H new ATOM 0 HG23 THR A 597 -0.536 -8.830 3.142 1.00 64.14 H new ATOM 550 N GLY A 598 3.829 -11.230 4.336 1.00 44.43 N ATOM 551 CA GLY A 598 4.832 -11.952 5.097 1.00 44.34 C ATOM 552 C GLY A 598 6.245 -11.552 4.721 1.00 20.51 C ATOM 553 O GLY A 598 7.212 -12.019 5.324 1.00 24.25 O ATOM 0 H GLY A 598 3.954 -11.261 3.324 1.00 44.43 H new ATOM 0 HA2 GLY A 598 4.677 -11.770 6.160 1.00 44.34 H new ATOM 0 HA3 GLY A 598 4.706 -13.022 4.935 1.00 44.34 H new ATOM 557 N ARG A 599 6.365 -10.686 3.720 1.00 52.24 N ATOM 558 CA ARG A 599 7.671 -10.226 3.263 1.00 31.52 C ATOM 559 C ARG A 599 7.756 -8.703 3.304 1.00 35.34 C ATOM 560 O ARG A 599 7.606 -8.035 2.280 1.00 63.11 O ATOM 561 CB ARG A 599 7.941 -10.723 1.841 1.00 60.42 C ATOM 562 CG ARG A 599 8.401 -12.171 1.780 1.00 54.13 C ATOM 563 CD ARG A 599 9.148 -12.464 0.487 1.00 42.32 C ATOM 564 NE ARG A 599 9.032 -13.866 0.095 1.00 64.42 N ATOM 565 CZ ARG A 599 9.780 -14.430 -0.846 1.00 33.11 C ATOM 566 NH1 ARG A 599 10.694 -13.715 -1.488 1.00 2.13 N ATOM 567 NH2 ARG A 599 9.616 -15.712 -1.148 1.00 4.42 N ATOM 0 H ARG A 599 5.575 -10.289 3.211 1.00 52.24 H new ATOM 0 HA ARG A 599 8.427 -10.634 3.934 1.00 31.52 H new ATOM 0 HB2 ARG A 599 7.033 -10.614 1.248 1.00 60.42 H new ATOM 0 HB3 ARG A 599 8.700 -10.090 1.382 1.00 60.42 H new ATOM 0 HG2 ARG A 599 9.047 -12.385 2.631 1.00 54.13 H new ATOM 0 HG3 ARG A 599 7.538 -12.832 1.861 1.00 54.13 H new ATOM 0 HD2 ARG A 599 8.757 -11.831 -0.309 1.00 42.32 H new ATOM 0 HD3 ARG A 599 10.200 -12.208 0.610 1.00 42.32 H new ATOM 0 HE ARG A 599 8.338 -14.444 0.570 1.00 64.42 H new ATOM 0 HH11 ARG A 599 10.824 -12.729 -1.259 1.00 2.13 H new ATOM 0 HH12 ARG A 599 11.267 -14.151 -2.210 1.00 2.13 H new ATOM 0 HH21 ARG A 599 8.914 -16.266 -0.657 1.00 4.42 H new ATOM 0 HH22 ARG A 599 10.192 -16.143 -1.871 1.00 4.42 H new ATOM 578 N TRP A 600 7.995 -8.161 4.492 1.00 72.11 N ATOM 579 CA TRP A 600 8.099 -6.716 4.666 1.00 45.34 C ATOM 580 C TRP A 600 9.342 -6.172 3.971 1.00 43.54 C ATOM 581 O TRP A 600 9.271 -5.191 3.232 1.00 55.25 O ATOM 582 CB TRP A 600 8.135 -6.364 6.154 1.00 72.03 C ATOM 583 CG TRP A 600 7.033 -7.003 6.943 1.00 1.44 C ATOM 584 CD1 TRP A 600 5.781 -7.316 6.497 1.00 0.20 C ATOM 585 CD2 TRP A 600 7.084 -7.404 8.317 1.00 13.03 C ATOM 586 NE1 TRP A 600 5.050 -7.887 7.511 1.00 30.40 N ATOM 587 CE2 TRP A 600 5.827 -7.953 8.637 1.00 2.00 C ATOM 588 CE3 TRP A 600 8.068 -7.353 9.307 1.00 61.23 C ATOM 589 CZ2 TRP A 600 5.532 -8.447 9.905 1.00 23.22 C ATOM 590 CZ3 TRP A 600 7.774 -7.844 10.565 1.00 41.23 C ATOM 591 CH2 TRP A 600 6.515 -8.386 10.856 1.00 31.53 C ATOM 0 H TRP A 600 8.121 -8.699 5.349 1.00 72.11 H new ATOM 0 HA TRP A 600 7.222 -6.255 4.212 1.00 45.34 H new ATOM 0 HB2 TRP A 600 9.095 -6.671 6.569 1.00 72.03 H new ATOM 0 HB3 TRP A 600 8.071 -5.282 6.265 1.00 72.03 H new ATOM 0 HD1 TRP A 600 5.419 -7.141 5.495 1.00 0.20 H new ATOM 0 HE1 TRP A 600 4.085 -8.209 7.437 1.00 30.40 H new ATOM 0 HE3 TRP A 600 9.042 -6.937 9.093 1.00 61.23 H new ATOM 0 HZ2 TRP A 600 4.562 -8.864 10.130 1.00 23.22 H new ATOM 0 HZ3 TRP A 600 8.528 -7.809 11.337 1.00 41.23 H new ATOM 0 HH2 TRP A 600 6.316 -8.762 11.849 1.00 31.53 H new ATOM 601 N ARG A 601 10.480 -6.816 4.213 1.00 1.42 N ATOM 602 CA ARG A 601 11.739 -6.395 3.611 1.00 12.41 C ATOM 603 C ARG A 601 11.604 -6.276 2.096 1.00 1.35 C ATOM 604 O ARG A 601 12.013 -5.278 1.503 1.00 74.54 O ATOM 605 CB ARG A 601 12.852 -7.385 3.959 1.00 64.41 C ATOM 606 CG ARG A 601 13.087 -7.537 5.452 1.00 54.42 C ATOM 607 CD ARG A 601 13.611 -6.248 6.067 1.00 20.11 C ATOM 608 NE ARG A 601 14.195 -6.469 7.387 1.00 64.10 N ATOM 609 CZ ARG A 601 14.376 -5.504 8.282 1.00 40.11 C ATOM 610 NH1 ARG A 601 14.021 -4.259 7.999 1.00 13.44 N ATOM 611 NH2 ARG A 601 14.914 -5.784 9.462 1.00 64.23 N ATOM 0 H ARG A 601 10.555 -7.631 4.822 1.00 1.42 H new ATOM 0 HA ARG A 601 11.996 -5.415 4.014 1.00 12.41 H new ATOM 0 HB2 ARG A 601 12.605 -8.359 3.538 1.00 64.41 H new ATOM 0 HB3 ARG A 601 13.778 -7.059 3.485 1.00 64.41 H new ATOM 0 HG2 ARG A 601 12.156 -7.822 5.941 1.00 54.42 H new ATOM 0 HG3 ARG A 601 13.800 -8.342 5.629 1.00 54.42 H new ATOM 0 HD2 ARG A 601 14.361 -5.810 5.408 1.00 20.11 H new ATOM 0 HD3 ARG A 601 12.797 -5.527 6.147 1.00 20.11 H new ATOM 0 HE ARG A 601 14.480 -7.416 7.636 1.00 64.10 H new ATOM 0 HH11 ARG A 601 13.608 -4.040 7.092 1.00 13.44 H new ATOM 0 HH12 ARG A 601 14.161 -3.520 8.688 1.00 13.44 H new ATOM 0 HH21 ARG A 601 15.189 -6.741 9.683 1.00 64.23 H new ATOM 0 HH22 ARG A 601 15.052 -5.042 10.148 1.00 64.23 H new ATOM 622 N ASP A 602 11.028 -7.300 1.476 1.00 43.13 N ATOM 623 CA ASP A 602 10.838 -7.311 0.030 1.00 4.31 C ATOM 624 C ASP A 602 9.919 -6.174 -0.405 1.00 65.23 C ATOM 625 O ASP A 602 10.112 -5.578 -1.465 1.00 2.05 O ATOM 626 CB ASP A 602 10.258 -8.653 -0.419 1.00 62.02 C ATOM 627 CG ASP A 602 11.133 -9.825 -0.021 1.00 42.53 C ATOM 628 OD1 ASP A 602 11.216 -10.119 1.192 1.00 72.41 O ATOM 629 OD2 ASP A 602 11.735 -10.448 -0.919 1.00 65.50 O ATOM 0 H ASP A 602 10.684 -8.134 1.952 1.00 43.13 H new ATOM 0 HA ASP A 602 11.810 -7.169 -0.441 1.00 4.31 H new ATOM 0 HB2 ASP A 602 9.266 -8.780 0.015 1.00 62.02 H new ATOM 0 HB3 ASP A 602 10.134 -8.648 -1.502 1.00 62.02 H new ATOM 633 N VAL A 603 8.918 -5.879 0.419 1.00 65.44 N ATOM 634 CA VAL A 603 7.969 -4.816 0.118 1.00 14.53 C ATOM 635 C VAL A 603 8.666 -3.461 0.054 1.00 12.35 C ATOM 636 O VAL A 603 8.262 -2.578 -0.704 1.00 75.25 O ATOM 637 CB VAL A 603 6.845 -4.753 1.169 1.00 0.53 C ATOM 638 CG1 VAL A 603 6.018 -3.488 0.992 1.00 64.22 C ATOM 639 CG2 VAL A 603 5.965 -5.991 1.083 1.00 55.43 C ATOM 0 H VAL A 603 8.744 -6.362 1.300 1.00 65.44 H new ATOM 0 HA VAL A 603 7.534 -5.045 -0.855 1.00 14.53 H new ATOM 0 HB VAL A 603 7.299 -4.726 2.160 1.00 0.53 H new ATOM 0 HG11 VAL A 603 5.229 -3.461 1.743 1.00 64.22 H new ATOM 0 HG12 VAL A 603 6.660 -2.615 1.108 1.00 64.22 H new ATOM 0 HG13 VAL A 603 5.572 -3.481 -0.003 1.00 64.22 H new ATOM 0 HG21 VAL A 603 5.176 -5.930 1.833 1.00 55.43 H new ATOM 0 HG22 VAL A 603 5.518 -6.052 0.091 1.00 55.43 H new ATOM 0 HG23 VAL A 603 6.569 -6.880 1.264 1.00 55.43 H new ATOM 649 N LYS A 604 9.714 -3.302 0.854 1.00 32.01 N ATOM 650 CA LYS A 604 10.470 -2.055 0.888 1.00 30.10 C ATOM 651 C LYS A 604 11.265 -1.865 -0.401 1.00 24.34 C ATOM 652 O LYS A 604 11.220 -0.800 -1.016 1.00 64.53 O ATOM 653 CB LYS A 604 11.417 -2.042 2.089 1.00 43.41 C ATOM 654 CG LYS A 604 12.050 -0.686 2.350 1.00 40.13 C ATOM 655 CD LYS A 604 12.799 -0.664 3.672 1.00 54.10 C ATOM 656 CE LYS A 604 11.895 -0.234 4.817 1.00 53.22 C ATOM 657 NZ LYS A 604 11.404 1.160 4.642 1.00 12.21 N ATOM 0 H LYS A 604 10.060 -4.022 1.489 1.00 32.01 H new ATOM 0 HA LYS A 604 9.761 -1.232 0.982 1.00 30.10 H new ATOM 0 HB2 LYS A 604 10.868 -2.354 2.977 1.00 43.41 H new ATOM 0 HB3 LYS A 604 12.206 -2.777 1.927 1.00 43.41 H new ATOM 0 HG2 LYS A 604 12.735 -0.441 1.539 1.00 40.13 H new ATOM 0 HG3 LYS A 604 11.277 0.082 2.356 1.00 40.13 H new ATOM 0 HD2 LYS A 604 13.204 -1.655 3.879 1.00 54.10 H new ATOM 0 HD3 LYS A 604 13.646 0.018 3.600 1.00 54.10 H new ATOM 0 HE2 LYS A 604 11.045 -0.913 4.883 1.00 53.22 H new ATOM 0 HE3 LYS A 604 12.439 -0.312 5.758 1.00 53.22 H new ATOM 0 HZ1 LYS A 604 11.200 1.576 5.573 1.00 12.21 H new ATOM 0 HZ2 LYS A 604 12.132 1.727 4.162 1.00 12.21 H new ATOM 0 HZ3 LYS A 604 10.537 1.153 4.068 1.00 12.21 H new ATOM 667 N MET A 605 11.988 -2.905 -0.803 1.00 14.01 N ATOM 668 CA MET A 605 12.789 -2.852 -2.020 1.00 72.33 C ATOM 669 C MET A 605 11.900 -2.861 -3.258 1.00 25.03 C ATOM 670 O MET A 605 12.244 -2.279 -4.286 1.00 22.43 O ATOM 671 CB MET A 605 13.762 -4.033 -2.068 1.00 3.32 C ATOM 672 CG MET A 605 13.081 -5.370 -2.315 1.00 43.21 C ATOM 673 SD MET A 605 14.257 -6.724 -2.496 1.00 31.22 S ATOM 674 CE MET A 605 14.036 -7.137 -4.225 1.00 3.11 C ATOM 0 H MET A 605 12.036 -3.794 -0.304 1.00 14.01 H new ATOM 0 HA MET A 605 13.357 -1.922 -2.010 1.00 72.33 H new ATOM 0 HB2 MET A 605 14.496 -3.857 -2.855 1.00 3.32 H new ATOM 0 HB3 MET A 605 14.309 -4.081 -1.127 1.00 3.32 H new ATOM 0 HG2 MET A 605 12.406 -5.588 -1.487 1.00 43.21 H new ATOM 0 HG3 MET A 605 12.470 -5.302 -3.215 1.00 43.21 H new ATOM 0 HE1 MET A 605 14.698 -7.961 -4.490 1.00 3.11 H new ATOM 0 HE2 MET A 605 13.001 -7.433 -4.399 1.00 3.11 H new ATOM 0 HE3 MET A 605 14.274 -6.269 -4.840 1.00 3.11 H new ATOM 682 N ARG A 606 10.753 -3.524 -3.152 1.00 24.21 N ATOM 683 CA ARG A 606 9.814 -3.610 -4.265 1.00 44.55 C ATOM 684 C ARG A 606 9.033 -2.307 -4.419 1.00 61.04 C ATOM 685 O ARG A 606 8.806 -1.838 -5.533 1.00 14.55 O ATOM 686 CB ARG A 606 8.845 -4.776 -4.053 1.00 14.24 C ATOM 687 CG ARG A 606 7.657 -4.759 -5.002 1.00 13.30 C ATOM 688 CD ARG A 606 8.065 -5.154 -6.412 1.00 65.34 C ATOM 689 NE ARG A 606 8.811 -4.094 -7.085 1.00 41.54 N ATOM 690 CZ ARG A 606 9.591 -4.299 -8.139 1.00 71.42 C ATOM 691 NH1 ARG A 606 9.727 -5.519 -8.641 1.00 24.32 N ATOM 692 NH2 ARG A 606 10.237 -3.283 -8.696 1.00 61.33 N ATOM 0 H ARG A 606 10.451 -4.009 -2.307 1.00 24.21 H new ATOM 0 HA ARG A 606 10.385 -3.782 -5.178 1.00 44.55 H new ATOM 0 HB2 ARG A 606 9.386 -5.714 -4.177 1.00 14.24 H new ATOM 0 HB3 ARG A 606 8.480 -4.752 -3.026 1.00 14.24 H new ATOM 0 HG2 ARG A 606 6.890 -5.443 -4.639 1.00 13.30 H new ATOM 0 HG3 ARG A 606 7.215 -3.763 -5.016 1.00 13.30 H new ATOM 0 HD2 ARG A 606 8.674 -6.057 -6.373 1.00 65.34 H new ATOM 0 HD3 ARG A 606 7.175 -5.395 -6.993 1.00 65.34 H new ATOM 0 HE ARG A 606 8.728 -3.143 -6.725 1.00 41.54 H new ATOM 0 HH11 ARG A 606 9.231 -6.303 -8.217 1.00 24.32 H new ATOM 0 HH12 ARG A 606 10.327 -5.673 -9.451 1.00 24.32 H new ATOM 0 HH21 ARG A 606 10.135 -2.343 -8.314 1.00 61.33 H new ATOM 0 HH22 ARG A 606 10.836 -3.442 -9.506 1.00 61.33 H new ATOM 703 N ALA A 607 8.626 -1.731 -3.293 1.00 53.31 N ATOM 704 CA ALA A 607 7.873 -0.483 -3.303 1.00 50.24 C ATOM 705 C ALA A 607 8.808 0.721 -3.361 1.00 1.33 C ATOM 706 O ALA A 607 8.868 1.424 -4.369 1.00 74.14 O ATOM 707 CB ALA A 607 6.976 -0.398 -2.078 1.00 44.32 C ATOM 0 H ALA A 607 8.805 -2.108 -2.362 1.00 53.31 H new ATOM 0 HA ALA A 607 7.250 -0.470 -4.197 1.00 50.24 H new ATOM 0 HB1 ALA A 607 6.420 0.539 -2.099 1.00 44.32 H new ATOM 0 HB2 ALA A 607 6.277 -1.235 -2.080 1.00 44.32 H new ATOM 0 HB3 ALA A 607 7.587 -0.437 -1.176 1.00 44.32 H new ATOM 713 N PHE A 608 9.534 0.953 -2.272 1.00 14.11 N ATOM 714 CA PHE A 608 10.465 2.074 -2.199 1.00 3.25 C ATOM 715 C PHE A 608 11.676 1.834 -3.092 1.00 73.55 C ATOM 716 O PHE A 608 12.359 0.816 -2.971 1.00 21.22 O ATOM 717 CB PHE A 608 10.917 2.295 -0.754 1.00 22.40 C ATOM 718 CG PHE A 608 9.790 2.626 0.183 1.00 72.32 C ATOM 719 CD1 PHE A 608 8.983 1.624 0.697 1.00 14.42 C ATOM 720 CD2 PHE A 608 9.540 3.938 0.550 1.00 3.12 C ATOM 721 CE1 PHE A 608 7.946 1.925 1.560 1.00 43.21 C ATOM 722 CE2 PHE A 608 8.505 4.245 1.413 1.00 20.11 C ATOM 723 CZ PHE A 608 7.706 3.237 1.917 1.00 12.13 C ATOM 0 H PHE A 608 9.496 0.380 -1.429 1.00 14.11 H new ATOM 0 HA PHE A 608 9.948 2.967 -2.551 1.00 3.25 H new ATOM 0 HB2 PHE A 608 11.423 1.397 -0.399 1.00 22.40 H new ATOM 0 HB3 PHE A 608 11.648 3.103 -0.730 1.00 22.40 H new ATOM 0 HD1 PHE A 608 9.166 0.596 0.420 1.00 14.42 H new ATOM 0 HD2 PHE A 608 10.161 4.730 0.157 1.00 3.12 H new ATOM 0 HE1 PHE A 608 7.324 1.135 1.955 1.00 43.21 H new ATOM 0 HE2 PHE A 608 8.321 5.272 1.693 1.00 20.11 H new ATOM 0 HZ PHE A 608 6.895 3.475 2.589 1.00 12.13 H new ATOM 828 N TYR A 616 11.623 -0.782 8.274 1.00 23.32 N ATOM 829 CA TYR A 616 10.380 -1.383 7.806 1.00 3.11 C ATOM 830 C TYR A 616 9.171 -0.686 8.425 1.00 73.30 C ATOM 831 O TYR A 616 8.064 -0.746 7.891 1.00 74.10 O ATOM 832 CB TYR A 616 10.351 -2.875 8.143 1.00 10.30 C ATOM 833 CG TYR A 616 10.184 -3.158 9.619 1.00 60.10 C ATOM 834 CD1 TYR A 616 11.258 -3.047 10.494 1.00 61.51 C ATOM 835 CD2 TYR A 616 8.953 -3.538 10.139 1.00 0.24 C ATOM 836 CE1 TYR A 616 11.111 -3.306 11.843 1.00 24.52 C ATOM 837 CE2 TYR A 616 8.795 -3.797 11.487 1.00 51.34 C ATOM 838 CZ TYR A 616 9.878 -3.680 12.334 1.00 45.41 C ATOM 839 OH TYR A 616 9.726 -3.939 13.678 1.00 72.51 O ATOM 0 HA TYR A 616 10.332 -1.261 6.724 1.00 3.11 H new ATOM 0 HB2 TYR A 616 9.535 -3.347 7.596 1.00 10.30 H new ATOM 0 HB3 TYR A 616 11.276 -3.336 7.795 1.00 10.30 H new ATOM 0 HD1 TYR A 616 12.225 -2.753 10.113 1.00 61.51 H new ATOM 0 HD2 TYR A 616 8.104 -3.633 9.478 1.00 0.24 H new ATOM 0 HE1 TYR A 616 11.957 -3.216 12.509 1.00 24.52 H new ATOM 0 HE2 TYR A 616 7.830 -4.089 11.875 1.00 51.34 H new ATOM 0 HH TYR A 616 8.796 -4.189 13.860 1.00 72.51 H new ATOM 848 N VAL A 617 9.394 -0.025 9.557 1.00 23.13 N ATOM 849 CA VAL A 617 8.325 0.685 10.250 1.00 32.42 C ATOM 850 C VAL A 617 7.580 1.617 9.301 1.00 21.34 C ATOM 851 O VAL A 617 6.375 1.830 9.442 1.00 40.30 O ATOM 852 CB VAL A 617 8.871 1.504 11.433 1.00 13.42 C ATOM 853 CG1 VAL A 617 9.807 2.597 10.940 1.00 75.12 C ATOM 854 CG2 VAL A 617 7.727 2.096 12.244 1.00 72.24 C ATOM 0 H VAL A 617 10.304 0.034 10.013 1.00 23.13 H new ATOM 0 HA VAL A 617 7.636 -0.070 10.628 1.00 32.42 H new ATOM 0 HB VAL A 617 9.440 0.838 12.082 1.00 13.42 H new ATOM 0 HG11 VAL A 617 10.183 3.165 11.791 1.00 75.12 H new ATOM 0 HG12 VAL A 617 10.644 2.146 10.407 1.00 75.12 H new ATOM 0 HG13 VAL A 617 9.266 3.264 10.269 1.00 75.12 H new ATOM 0 HG21 VAL A 617 8.131 2.672 13.077 1.00 72.24 H new ATOM 0 HG22 VAL A 617 7.129 2.749 11.608 1.00 72.24 H new ATOM 0 HG23 VAL A 617 7.100 1.292 12.630 1.00 72.24 H new ATOM 864 N ASP A 618 8.304 2.170 8.335 1.00 15.21 N ATOM 865 CA ASP A 618 7.711 3.081 7.361 1.00 72.42 C ATOM 866 C ASP A 618 6.657 2.365 6.521 1.00 1.13 C ATOM 867 O ASP A 618 5.529 2.842 6.384 1.00 63.10 O ATOM 868 CB ASP A 618 8.794 3.665 6.452 1.00 62.44 C ATOM 869 CG ASP A 618 8.979 5.155 6.657 1.00 54.01 C ATOM 870 OD1 ASP A 618 9.386 5.555 7.768 1.00 11.41 O ATOM 871 OD2 ASP A 618 8.717 5.923 5.708 1.00 20.32 O ATOM 0 H ASP A 618 9.302 2.004 8.205 1.00 15.21 H new ATOM 0 HA ASP A 618 7.228 3.892 7.905 1.00 72.42 H new ATOM 0 HB2 ASP A 618 9.738 3.155 6.642 1.00 62.44 H new ATOM 0 HB3 ASP A 618 8.533 3.474 5.411 1.00 62.44 H new ATOM 875 N LEU A 619 7.031 1.221 5.961 1.00 34.42 N ATOM 876 CA LEU A 619 6.118 0.440 5.133 1.00 22.04 C ATOM 877 C LEU A 619 5.036 -0.215 5.985 1.00 42.31 C ATOM 878 O LEU A 619 3.945 -0.516 5.500 1.00 13.23 O ATOM 879 CB LEU A 619 6.889 -0.628 4.357 1.00 62.42 C ATOM 880 CG LEU A 619 7.089 -1.965 5.072 1.00 25.03 C ATOM 881 CD1 LEU A 619 5.993 -2.947 4.684 1.00 40.22 C ATOM 882 CD2 LEU A 619 8.460 -2.541 4.755 1.00 21.21 C ATOM 0 H LEU A 619 7.960 0.813 6.065 1.00 34.42 H new ATOM 0 HA LEU A 619 5.638 1.117 4.427 1.00 22.04 H new ATOM 0 HB2 LEU A 619 6.366 -0.815 3.419 1.00 62.42 H new ATOM 0 HB3 LEU A 619 7.869 -0.226 4.101 1.00 62.42 H new ATOM 0 HG LEU A 619 7.030 -1.792 6.147 1.00 25.03 H new ATOM 0 HD11 LEU A 619 6.152 -3.893 5.202 1.00 40.22 H new ATOM 0 HD12 LEU A 619 5.022 -2.538 4.964 1.00 40.22 H new ATOM 0 HD13 LEU A 619 6.019 -3.115 3.607 1.00 40.22 H new ATOM 0 HD21 LEU A 619 8.584 -3.492 5.273 1.00 21.21 H new ATOM 0 HD22 LEU A 619 8.549 -2.699 3.680 1.00 21.21 H new ATOM 0 HD23 LEU A 619 9.232 -1.846 5.085 1.00 21.21 H new ATOM 893 N LYS A 620 5.344 -0.432 7.259 1.00 65.01 N ATOM 894 CA LYS A 620 4.398 -1.049 8.181 1.00 12.31 C ATOM 895 C LYS A 620 3.233 -0.109 8.475 1.00 53.33 C ATOM 896 O LYS A 620 2.086 -0.541 8.577 1.00 25.34 O ATOM 897 CB LYS A 620 5.101 -1.430 9.486 1.00 14.51 C ATOM 898 CG LYS A 620 4.495 -2.642 10.171 1.00 63.14 C ATOM 899 CD LYS A 620 4.950 -2.751 11.617 1.00 43.24 C ATOM 900 CE LYS A 620 3.991 -3.598 12.441 1.00 14.20 C ATOM 901 NZ LYS A 620 4.594 -4.015 13.737 1.00 72.14 N ATOM 0 H LYS A 620 6.242 -0.189 7.677 1.00 65.01 H new ATOM 0 HA LYS A 620 4.005 -1.950 7.710 1.00 12.31 H new ATOM 0 HB2 LYS A 620 6.152 -1.628 9.278 1.00 14.51 H new ATOM 0 HB3 LYS A 620 5.066 -0.581 10.169 1.00 14.51 H new ATOM 0 HG2 LYS A 620 3.408 -2.576 10.135 1.00 63.14 H new ATOM 0 HG3 LYS A 620 4.777 -3.546 9.631 1.00 63.14 H new ATOM 0 HD2 LYS A 620 5.947 -3.189 11.654 1.00 43.24 H new ATOM 0 HD3 LYS A 620 5.023 -1.755 12.053 1.00 43.24 H new ATOM 0 HE2 LYS A 620 3.078 -3.033 12.630 1.00 14.20 H new ATOM 0 HE3 LYS A 620 3.706 -4.483 11.871 1.00 14.20 H new ATOM 0 HZ1 LYS A 620 3.910 -4.590 14.269 1.00 72.14 H new ATOM 0 HZ2 LYS A 620 5.451 -4.575 13.557 1.00 72.14 H new ATOM 0 HZ3 LYS A 620 4.842 -3.171 14.292 1.00 72.14 H new ATOM 911 N ASP A 621 3.536 1.177 8.608 1.00 12.33 N ATOM 912 CA ASP A 621 2.514 2.179 8.887 1.00 12.43 C ATOM 913 C ASP A 621 1.632 2.412 7.664 1.00 73.45 C ATOM 914 O ASP A 621 0.408 2.486 7.772 1.00 15.20 O ATOM 915 CB ASP A 621 3.162 3.495 9.320 1.00 52.43 C ATOM 916 CG ASP A 621 2.215 4.375 10.110 1.00 35.04 C ATOM 917 OD1 ASP A 621 1.223 3.844 10.650 1.00 23.23 O ATOM 918 OD2 ASP A 621 2.464 5.597 10.187 1.00 43.14 O ATOM 0 H ASP A 621 4.482 1.551 8.527 1.00 12.33 H new ATOM 0 HA ASP A 621 1.889 1.806 9.699 1.00 12.43 H new ATOM 0 HB2 ASP A 621 4.043 3.281 9.924 1.00 52.43 H new ATOM 0 HB3 ASP A 621 3.504 4.035 8.438 1.00 52.43 H new ATOM 922 N LYS A 622 2.262 2.526 6.500 1.00 72.24 N ATOM 923 CA LYS A 622 1.537 2.749 5.254 1.00 51.32 C ATOM 924 C LYS A 622 0.601 1.582 4.953 1.00 52.13 C ATOM 925 O LYS A 622 -0.456 1.762 4.349 1.00 14.42 O ATOM 926 CB LYS A 622 2.517 2.942 4.096 1.00 74.24 C ATOM 927 CG LYS A 622 1.877 3.519 2.846 1.00 11.31 C ATOM 928 CD LYS A 622 2.209 4.992 2.678 1.00 10.20 C ATOM 929 CE LYS A 622 3.651 5.193 2.242 1.00 74.53 C ATOM 930 NZ LYS A 622 4.537 5.534 3.389 1.00 10.43 N ATOM 0 H LYS A 622 3.275 2.468 6.393 1.00 72.24 H new ATOM 0 HA LYS A 622 0.938 3.653 5.369 1.00 51.32 H new ATOM 0 HB2 LYS A 622 3.322 3.602 4.419 1.00 74.24 H new ATOM 0 HB3 LYS A 622 2.971 1.982 3.851 1.00 74.24 H new ATOM 0 HG2 LYS A 622 2.221 2.966 1.972 1.00 11.31 H new ATOM 0 HG3 LYS A 622 0.796 3.393 2.898 1.00 11.31 H new ATOM 0 HD2 LYS A 622 1.540 5.435 1.940 1.00 10.20 H new ATOM 0 HD3 LYS A 622 2.036 5.514 3.619 1.00 10.20 H new ATOM 0 HE2 LYS A 622 4.014 4.285 1.760 1.00 74.53 H new ATOM 0 HE3 LYS A 622 3.698 5.989 1.499 1.00 74.53 H new ATOM 0 HZ1 LYS A 622 5.138 6.344 3.135 1.00 10.43 H new ATOM 0 HZ2 LYS A 622 3.956 5.780 4.216 1.00 10.43 H new ATOM 0 HZ3 LYS A 622 5.138 4.717 3.619 1.00 10.43 H new ATOM 940 N TRP A 623 0.997 0.388 5.379 1.00 72.50 N ATOM 941 CA TRP A 623 0.193 -0.808 5.155 1.00 34.12 C ATOM 942 C TRP A 623 -1.053 -0.798 6.033 1.00 32.13 C ATOM 943 O TRP A 623 -2.173 -0.936 5.541 1.00 22.01 O ATOM 944 CB TRP A 623 1.020 -2.064 5.436 1.00 20.30 C ATOM 945 CG TRP A 623 0.215 -3.187 6.015 1.00 72.34 C ATOM 946 CD1 TRP A 623 -0.831 -3.837 5.423 1.00 40.15 C ATOM 947 CD2 TRP A 623 0.390 -3.792 7.301 1.00 20.34 C ATOM 948 NE1 TRP A 623 -1.317 -4.808 6.264 1.00 62.44 N ATOM 949 CE2 TRP A 623 -0.585 -4.803 7.421 1.00 52.51 C ATOM 950 CE3 TRP A 623 1.275 -3.580 8.360 1.00 43.44 C ATOM 951 CZ2 TRP A 623 -0.696 -5.596 8.560 1.00 3.52 C ATOM 952 CZ3 TRP A 623 1.163 -4.368 9.491 1.00 32.33 C ATOM 953 CH2 TRP A 623 0.183 -5.366 9.584 1.00 73.51 C ATOM 0 H TRP A 623 1.869 0.222 5.881 1.00 72.50 H new ATOM 0 HA TRP A 623 -0.121 -0.814 4.111 1.00 34.12 H new ATOM 0 HB2 TRP A 623 1.484 -2.400 4.509 1.00 20.30 H new ATOM 0 HB3 TRP A 623 1.827 -1.813 6.124 1.00 20.30 H new ATOM 0 HD1 TRP A 623 -1.219 -3.619 4.439 1.00 40.15 H new ATOM 0 HE1 TRP A 623 -2.097 -5.432 6.060 1.00 62.44 H new ATOM 0 HE3 TRP A 623 2.034 -2.814 8.297 1.00 43.44 H new ATOM 0 HZ2 TRP A 623 -1.450 -6.366 8.633 1.00 3.52 H new ATOM 0 HZ3 TRP A 623 1.842 -4.212 10.316 1.00 32.33 H new ATOM 0 HH2 TRP A 623 0.120 -5.965 10.481 1.00 73.51 H new ATOM 963 N LYS A 624 -0.851 -0.634 7.337 1.00 24.33 N ATOM 964 CA LYS A 624 -1.959 -0.604 8.285 1.00 23.41 C ATOM 965 C LYS A 624 -2.954 0.494 7.924 1.00 25.53 C ATOM 966 O LYS A 624 -4.162 0.257 7.865 1.00 31.30 O ATOM 967 CB LYS A 624 -1.435 -0.386 9.706 1.00 24.24 C ATOM 968 CG LYS A 624 -2.458 -0.697 10.785 1.00 51.41 C ATOM 969 CD LYS A 624 -3.224 0.548 11.202 1.00 62.51 C ATOM 970 CE LYS A 624 -3.677 0.464 12.652 1.00 75.15 C ATOM 971 NZ LYS A 624 -4.465 1.661 13.057 1.00 70.32 N ATOM 0 H LYS A 624 0.070 -0.520 7.761 1.00 24.33 H new ATOM 0 HA LYS A 624 -2.472 -1.564 8.237 1.00 23.41 H new ATOM 0 HB2 LYS A 624 -0.555 -1.011 9.860 1.00 24.24 H new ATOM 0 HB3 LYS A 624 -1.112 0.650 9.811 1.00 24.24 H new ATOM 0 HG2 LYS A 624 -3.156 -1.450 10.419 1.00 51.41 H new ATOM 0 HG3 LYS A 624 -1.955 -1.124 11.653 1.00 51.41 H new ATOM 0 HD2 LYS A 624 -2.593 1.427 11.067 1.00 62.51 H new ATOM 0 HD3 LYS A 624 -4.092 0.676 10.555 1.00 62.51 H new ATOM 0 HE2 LYS A 624 -4.281 -0.433 12.793 1.00 75.15 H new ATOM 0 HE3 LYS A 624 -2.806 0.367 13.300 1.00 75.15 H new ATOM 0 HZ1 LYS A 624 -4.755 1.566 14.051 1.00 70.32 H new ATOM 0 HZ2 LYS A 624 -3.881 2.515 12.947 1.00 70.32 H new ATOM 0 HZ3 LYS A 624 -5.310 1.740 12.456 1.00 70.32 H new ATOM 981 N THR A 625 -2.442 1.696 7.682 1.00 13.12 N ATOM 982 CA THR A 625 -3.285 2.830 7.326 1.00 5.50 C ATOM 983 C THR A 625 -4.026 2.576 6.018 1.00 51.34 C ATOM 984 O THR A 625 -5.137 3.066 5.817 1.00 32.20 O ATOM 985 CB THR A 625 -2.460 4.124 7.195 1.00 34.34 C ATOM 986 OG1 THR A 625 -3.335 5.255 7.107 1.00 75.55 O ATOM 987 CG2 THR A 625 -1.566 4.072 5.965 1.00 55.22 C ATOM 0 H THR A 625 -1.446 1.910 7.726 1.00 13.12 H new ATOM 0 HA THR A 625 -4.009 2.951 8.132 1.00 5.50 H new ATOM 0 HB THR A 625 -1.830 4.220 8.079 1.00 34.34 H new ATOM 0 HG1 THR A 625 -2.803 6.074 7.025 1.00 75.55 H new ATOM 0 HG21 THR A 625 -0.993 4.996 5.893 1.00 55.22 H new ATOM 0 HG22 THR A 625 -0.883 3.227 6.047 1.00 55.22 H new ATOM 0 HG23 THR A 625 -2.181 3.956 5.073 1.00 55.22 H new ATOM 995 N LEU A 626 -3.403 1.807 5.132 1.00 74.22 N ATOM 996 CA LEU A 626 -4.004 1.488 3.842 1.00 72.42 C ATOM 997 C LEU A 626 -5.270 0.656 4.022 1.00 34.12 C ATOM 998 O LEU A 626 -6.339 1.020 3.531 1.00 41.52 O ATOM 999 CB LEU A 626 -3.003 0.731 2.965 1.00 21.34 C ATOM 1000 CG LEU A 626 -2.473 1.488 1.747 1.00 74.24 C ATOM 1001 CD1 LEU A 626 -1.537 0.605 0.936 1.00 54.25 C ATOM 1002 CD2 LEU A 626 -3.624 1.983 0.882 1.00 50.15 C ATOM 0 H LEU A 626 -2.483 1.393 5.283 1.00 74.22 H new ATOM 0 HA LEU A 626 -4.273 2.424 3.352 1.00 72.42 H new ATOM 0 HB2 LEU A 626 -2.155 0.440 3.585 1.00 21.34 H new ATOM 0 HB3 LEU A 626 -3.476 -0.188 2.619 1.00 21.34 H new ATOM 0 HG LEU A 626 -1.911 2.353 2.098 1.00 74.24 H new ATOM 0 HD11 LEU A 626 -1.170 1.160 0.073 1.00 54.25 H new ATOM 0 HD12 LEU A 626 -0.695 0.301 1.557 1.00 54.25 H new ATOM 0 HD13 LEU A 626 -2.075 -0.280 0.596 1.00 54.25 H new ATOM 0 HD21 LEU A 626 -3.227 2.519 0.020 1.00 50.15 H new ATOM 0 HD22 LEU A 626 -4.214 1.133 0.540 1.00 50.15 H new ATOM 0 HD23 LEU A 626 -4.256 2.652 1.466 1.00 50.15 H new ATOM 1013 N VAL A 627 -5.142 -0.462 4.729 1.00 12.12 N ATOM 1014 CA VAL A 627 -6.276 -1.344 4.976 1.00 41.21 C ATOM 1015 C VAL A 627 -7.410 -0.598 5.673 1.00 72.20 C ATOM 1016 O VAL A 627 -8.541 -0.574 5.188 1.00 4.41 O ATOM 1017 CB VAL A 627 -5.869 -2.555 5.836 1.00 54.31 C ATOM 1018 CG1 VAL A 627 -6.927 -3.645 5.760 1.00 12.45 C ATOM 1019 CG2 VAL A 627 -4.512 -3.086 5.399 1.00 32.54 C ATOM 0 H VAL A 627 -4.264 -0.778 5.141 1.00 12.12 H new ATOM 0 HA VAL A 627 -6.620 -1.698 4.004 1.00 41.21 H new ATOM 0 HB VAL A 627 -5.790 -2.231 6.874 1.00 54.31 H new ATOM 0 HG11 VAL A 627 -6.621 -4.492 6.374 1.00 12.45 H new ATOM 0 HG12 VAL A 627 -7.877 -3.256 6.126 1.00 12.45 H new ATOM 0 HG13 VAL A 627 -7.042 -3.969 4.726 1.00 12.45 H new ATOM 0 HG21 VAL A 627 -4.240 -3.942 6.017 1.00 32.54 H new ATOM 0 HG22 VAL A 627 -4.561 -3.394 4.355 1.00 32.54 H new ATOM 0 HG23 VAL A 627 -3.762 -2.304 5.512 1.00 32.54 H new ATOM 1029 N HIS A 628 -7.098 0.010 6.813 1.00 2.43 N ATOM 1030 CA HIS A 628 -8.091 0.758 7.577 1.00 74.33 C ATOM 1031 C HIS A 628 -8.789 1.789 6.696 1.00 14.51 C ATOM 1032 O HIS A 628 -9.955 2.123 6.916 1.00 74.42 O ATOM 1033 CB HIS A 628 -7.431 1.451 8.769 1.00 1.15 C ATOM 1034 CG HIS A 628 -7.285 0.568 9.970 1.00 20.44 C ATOM 1035 ND1 HIS A 628 -6.600 -0.629 9.946 1.00 33.04 N ATOM 1036 CD2 HIS A 628 -7.740 0.713 11.237 1.00 33.13 C ATOM 1037 CE1 HIS A 628 -6.641 -1.182 11.145 1.00 33.21 C ATOM 1038 NE2 HIS A 628 -7.326 -0.387 11.946 1.00 42.30 N ATOM 0 H HIS A 628 -6.166 -0.000 7.228 1.00 2.43 H new ATOM 0 HA HIS A 628 -8.838 0.054 7.944 1.00 74.33 H new ATOM 0 HB2 HIS A 628 -6.446 1.810 8.470 1.00 1.15 H new ATOM 0 HB3 HIS A 628 -8.020 2.327 9.042 1.00 1.15 H new ATOM 0 HD2 HIS A 628 -8.320 1.540 11.619 1.00 33.13 H new ATOM 0 HE1 HIS A 628 -6.191 -2.124 11.423 1.00 33.21 H new ATOM 0 HE2 HIS A 628 -7.517 -0.562 12.933 1.00 42.30 H new ATOM 1045 N THR A 629 -8.069 2.294 5.698 1.00 40.02 N ATOM 1046 CA THR A 629 -8.619 3.289 4.786 1.00 73.33 C ATOM 1047 C THR A 629 -9.503 2.637 3.730 1.00 4.11 C ATOM 1048 O THR A 629 -10.452 3.247 3.238 1.00 52.42 O ATOM 1049 CB THR A 629 -7.502 4.085 4.084 1.00 64.04 C ATOM 1050 OG1 THR A 629 -6.800 4.889 5.038 1.00 74.43 O ATOM 1051 CG2 THR A 629 -8.076 4.972 2.990 1.00 1.04 C ATOM 0 H THR A 629 -7.104 2.030 5.501 1.00 40.02 H new ATOM 0 HA THR A 629 -9.219 3.972 5.387 1.00 73.33 H new ATOM 0 HB THR A 629 -6.811 3.375 3.629 1.00 64.04 H new ATOM 0 HG1 THR A 629 -6.245 4.314 5.605 1.00 74.43 H new ATOM 0 HG21 THR A 629 -7.269 5.524 2.509 1.00 1.04 H new ATOM 0 HG22 THR A 629 -8.585 4.354 2.250 1.00 1.04 H new ATOM 0 HG23 THR A 629 -8.786 5.674 3.426 1.00 1.04 H new ATOM 1059 N ALA A 630 -9.188 1.393 3.386 1.00 64.12 N ATOM 1060 CA ALA A 630 -9.956 0.657 2.390 1.00 30.13 C ATOM 1061 C ALA A 630 -11.439 0.633 2.748 1.00 64.45 C ATOM 1062 O ALA A 630 -12.293 0.939 1.917 1.00 71.31 O ATOM 1063 CB ALA A 630 -9.421 -0.761 2.251 1.00 0.34 C ATOM 0 H ALA A 630 -8.405 0.873 3.783 1.00 64.12 H new ATOM 0 HA ALA A 630 -9.848 1.169 1.434 1.00 30.13 H new ATOM 0 HB1 ALA A 630 -10.005 -1.298 1.504 1.00 0.34 H new ATOM 0 HB2 ALA A 630 -8.377 -0.727 1.940 1.00 0.34 H new ATOM 0 HB3 ALA A 630 -9.498 -1.274 3.209 1.00 0.34 H new ATOM 1069 N SER A 631 -11.736 0.265 3.990 1.00 44.11 N ATOM 1070 CA SER A 631 -13.116 0.196 4.457 1.00 50.11 C ATOM 1071 C SER A 631 -13.191 -0.459 5.833 1.00 1.00 C ATOM 1072 O SER A 631 -13.723 -1.560 5.980 1.00 54.03 O ATOM 1073 CB SER A 631 -13.976 -0.583 3.461 1.00 71.24 C ATOM 1074 OG SER A 631 -14.657 0.293 2.580 1.00 74.44 O ATOM 0 H SER A 631 -11.040 0.010 4.691 1.00 44.11 H new ATOM 0 HA SER A 631 -13.498 1.214 4.537 1.00 50.11 H new ATOM 0 HB2 SER A 631 -13.347 -1.264 2.887 1.00 71.24 H new ATOM 0 HB3 SER A 631 -14.699 -1.195 4.001 1.00 71.24 H new ATOM 0 HG SER A 631 -14.008 0.874 2.130 1.00 74.44 H new ATOM 1079 N ILE A 632 -12.656 0.226 6.838 1.00 0.33 N ATOM 1080 CA ILE A 632 -12.664 -0.288 8.202 1.00 40.01 C ATOM 1081 C ILE A 632 -13.449 0.632 9.132 1.00 24.52 C ATOM 1082 O ILE A 632 -14.498 0.256 9.652 1.00 21.05 O ATOM 1083 CB ILE A 632 -11.234 -0.453 8.749 1.00 22.10 C ATOM 1084 CG1 ILE A 632 -10.617 -1.758 8.241 1.00 25.33 C ATOM 1085 CG2 ILE A 632 -11.243 -0.422 10.271 1.00 75.54 C ATOM 1086 CD1 ILE A 632 -10.564 -1.853 6.732 1.00 63.40 C ATOM 0 H ILE A 632 -12.212 1.138 6.733 1.00 0.33 H new ATOM 0 HA ILE A 632 -13.147 -1.265 8.169 1.00 40.01 H new ATOM 0 HB ILE A 632 -10.626 0.378 8.391 1.00 22.10 H new ATOM 0 HG12 ILE A 632 -9.607 -1.852 8.639 1.00 25.33 H new ATOM 0 HG13 ILE A 632 -11.192 -2.598 8.630 1.00 25.33 H new ATOM 0 HG21 ILE A 632 -10.225 -0.540 10.643 1.00 75.54 H new ATOM 0 HG22 ILE A 632 -11.647 0.531 10.613 1.00 75.54 H new ATOM 0 HG23 ILE A 632 -11.864 -1.235 10.648 1.00 75.54 H new ATOM 0 HD11 ILE A 632 -10.115 -2.803 6.443 1.00 63.40 H new ATOM 0 HD12 ILE A 632 -11.574 -1.791 6.328 1.00 63.40 H new ATOM 0 HD13 ILE A 632 -9.964 -1.033 6.337 1.00 63.40 H new ATOM 1097 N ALA A 633 -12.933 1.839 9.335 1.00 32.34 N ATOM 1098 CA ALA A 633 -13.587 2.814 10.198 1.00 11.33 C ATOM 1099 C ALA A 633 -14.333 3.862 9.377 1.00 43.05 C ATOM 1100 O ALA A 633 -14.015 4.116 8.216 1.00 34.23 O ATOM 1101 CB ALA A 633 -12.567 3.483 11.108 1.00 22.21 C ATOM 0 H ALA A 633 -12.063 2.165 8.913 1.00 32.34 H new ATOM 0 HA ALA A 633 -14.315 2.286 10.813 1.00 11.33 H new ATOM 0 HB1 ALA A 633 -13.070 4.209 11.747 1.00 22.21 H new ATOM 0 HB2 ALA A 633 -12.082 2.729 11.728 1.00 22.21 H new ATOM 0 HB3 ALA A 633 -11.817 3.991 10.502 1.00 22.21 H new ATOM 1210 N PRO A 641 -8.188 12.457 -0.800 1.00 12.11 N ATOM 1211 CA PRO A 641 -8.190 11.675 -2.040 1.00 72.24 C ATOM 1212 C PRO A 641 -7.458 10.345 -1.886 1.00 32.34 C ATOM 1213 O PRO A 641 -6.270 10.312 -1.567 1.00 42.43 O ATOM 1214 CB PRO A 641 -7.453 12.580 -3.031 1.00 24.42 C ATOM 1215 CG PRO A 641 -6.584 13.442 -2.183 1.00 41.21 C ATOM 1216 CD PRO A 641 -7.338 13.655 -0.899 1.00 13.34 C ATOM 0 HA PRO A 641 -9.199 11.410 -2.354 1.00 72.24 H new ATOM 0 HB2 PRO A 641 -6.863 11.996 -3.737 1.00 24.42 H new ATOM 0 HB3 PRO A 641 -8.152 13.177 -3.617 1.00 24.42 H new ATOM 0 HG2 PRO A 641 -5.623 12.963 -1.996 1.00 41.21 H new ATOM 0 HG3 PRO A 641 -6.377 14.392 -2.676 1.00 41.21 H new ATOM 0 HD2 PRO A 641 -6.664 13.741 -0.047 1.00 13.34 H new ATOM 0 HD3 PRO A 641 -7.932 14.568 -0.929 1.00 13.34 H new ATOM 1221 N VAL A 642 -8.176 9.251 -2.118 1.00 71.12 N ATOM 1222 CA VAL A 642 -7.595 7.918 -2.007 1.00 12.21 C ATOM 1223 C VAL A 642 -7.983 7.049 -3.198 1.00 21.12 C ATOM 1224 O VAL A 642 -9.151 6.962 -3.580 1.00 75.44 O ATOM 1225 CB VAL A 642 -8.037 7.219 -0.708 1.00 24.20 C ATOM 1226 CG1 VAL A 642 -9.536 7.374 -0.503 1.00 23.12 C ATOM 1227 CG2 VAL A 642 -7.644 5.749 -0.734 1.00 35.13 C ATOM 0 H VAL A 642 -9.161 9.261 -2.384 1.00 71.12 H new ATOM 0 HA VAL A 642 -6.512 8.045 -1.991 1.00 12.21 H new ATOM 0 HB VAL A 642 -7.528 7.693 0.131 1.00 24.20 H new ATOM 0 HG11 VAL A 642 -9.831 6.874 0.420 1.00 23.12 H new ATOM 0 HG12 VAL A 642 -9.787 8.433 -0.438 1.00 23.12 H new ATOM 0 HG13 VAL A 642 -10.066 6.927 -1.344 1.00 23.12 H new ATOM 0 HG21 VAL A 642 -7.964 5.270 0.192 1.00 35.13 H new ATOM 0 HG22 VAL A 642 -8.124 5.259 -1.581 1.00 35.13 H new ATOM 0 HG23 VAL A 642 -6.562 5.663 -0.831 1.00 35.13 H new ATOM 1237 N PRO A 643 -6.982 6.388 -3.800 1.00 3.43 N ATOM 1238 CA PRO A 643 -7.195 5.512 -4.955 1.00 22.31 C ATOM 1239 C PRO A 643 -7.946 4.238 -4.586 1.00 62.21 C ATOM 1240 O PRO A 643 -7.567 3.532 -3.652 1.00 54.03 O ATOM 1241 CB PRO A 643 -5.773 5.182 -5.416 1.00 4.30 C ATOM 1242 CG PRO A 643 -4.933 5.341 -4.195 1.00 63.42 C ATOM 1243 CD PRO A 643 -5.568 6.446 -3.398 1.00 51.24 C ATOM 0 HA PRO A 643 -7.806 5.989 -5.721 1.00 22.31 H new ATOM 0 HB2 PRO A 643 -5.710 4.168 -5.811 1.00 4.30 H new ATOM 0 HB3 PRO A 643 -5.448 5.854 -6.210 1.00 4.30 H new ATOM 0 HG2 PRO A 643 -4.899 4.415 -3.621 1.00 63.42 H new ATOM 0 HG3 PRO A 643 -3.905 5.590 -4.458 1.00 63.42 H new ATOM 0 HD2 PRO A 643 -5.448 6.288 -2.326 1.00 51.24 H new ATOM 0 HD3 PRO A 643 -5.124 7.414 -3.629 1.00 51.24 H new ATOM 1248 N GLN A 644 -9.010 3.948 -5.326 1.00 23.25 N ATOM 1249 CA GLN A 644 -9.814 2.757 -5.076 1.00 22.21 C ATOM 1250 C GLN A 644 -9.103 1.505 -5.580 1.00 65.30 C ATOM 1251 O GLN A 644 -9.424 0.389 -5.170 1.00 51.42 O ATOM 1252 CB GLN A 644 -11.182 2.887 -5.749 1.00 2.20 C ATOM 1253 CG GLN A 644 -12.220 1.917 -5.209 1.00 73.32 C ATOM 1254 CD GLN A 644 -13.261 1.541 -6.245 1.00 1.21 C ATOM 1255 OE1 GLN A 644 -12.933 1.260 -7.399 1.00 2.55 O ATOM 1256 NE2 GLN A 644 -14.525 1.533 -5.838 1.00 71.22 N ATOM 0 H GLN A 644 -9.336 4.521 -6.104 1.00 23.25 H new ATOM 0 HA GLN A 644 -9.955 2.665 -3.999 1.00 22.21 H new ATOM 0 HB2 GLN A 644 -11.546 3.906 -5.619 1.00 2.20 H new ATOM 0 HB3 GLN A 644 -11.067 2.724 -6.821 1.00 2.20 H new ATOM 0 HG2 GLN A 644 -11.720 1.014 -4.857 1.00 73.32 H new ATOM 0 HG3 GLN A 644 -12.715 2.364 -4.347 1.00 73.32 H new ATOM 0 HE21 GLN A 644 -14.751 1.772 -4.873 1.00 71.22 H new ATOM 0 HE22 GLN A 644 -15.269 1.287 -6.491 1.00 71.22 H new ATOM 1263 N ASP A 645 -8.138 1.697 -6.473 1.00 5.50 N ATOM 1264 CA ASP A 645 -7.381 0.584 -7.033 1.00 5.41 C ATOM 1265 C ASP A 645 -6.451 -0.022 -5.986 1.00 25.42 C ATOM 1266 O ASP A 645 -6.280 -1.240 -5.923 1.00 22.34 O ATOM 1267 CB ASP A 645 -6.573 1.047 -8.245 1.00 54.21 C ATOM 1268 CG ASP A 645 -6.275 -0.084 -9.209 1.00 25.14 C ATOM 1269 OD1 ASP A 645 -7.118 -0.348 -10.091 1.00 4.21 O ATOM 1270 OD2 ASP A 645 -5.199 -0.705 -9.082 1.00 31.23 O ATOM 0 H ASP A 645 -7.862 2.614 -6.825 1.00 5.50 H new ATOM 0 HA ASP A 645 -8.089 -0.182 -7.350 1.00 5.41 H new ATOM 0 HB2 ASP A 645 -7.123 1.830 -8.767 1.00 54.21 H new ATOM 0 HB3 ASP A 645 -5.636 1.488 -7.906 1.00 54.21 H new ATOM 1274 N LEU A 646 -5.853 0.835 -5.167 1.00 61.21 N ATOM 1275 CA LEU A 646 -4.939 0.385 -4.123 1.00 45.11 C ATOM 1276 C LEU A 646 -5.706 -0.225 -2.954 1.00 41.00 C ATOM 1277 O LEU A 646 -5.350 -1.293 -2.453 1.00 72.53 O ATOM 1278 CB LEU A 646 -4.080 1.552 -3.632 1.00 64.23 C ATOM 1279 CG LEU A 646 -3.453 2.427 -4.717 1.00 23.51 C ATOM 1280 CD1 LEU A 646 -2.424 3.370 -4.114 1.00 4.43 C ATOM 1281 CD2 LEU A 646 -2.819 1.564 -5.799 1.00 53.33 C ATOM 0 H LEU A 646 -5.984 1.846 -5.205 1.00 61.21 H new ATOM 0 HA LEU A 646 -4.291 -0.382 -4.547 1.00 45.11 H new ATOM 0 HB2 LEU A 646 -4.695 2.186 -2.993 1.00 64.23 H new ATOM 0 HB3 LEU A 646 -3.280 1.151 -3.009 1.00 64.23 H new ATOM 0 HG LEU A 646 -4.241 3.026 -5.174 1.00 23.51 H new ATOM 0 HD11 LEU A 646 -1.988 3.985 -4.902 1.00 4.43 H new ATOM 0 HD12 LEU A 646 -2.907 4.012 -3.377 1.00 4.43 H new ATOM 0 HD13 LEU A 646 -1.638 2.790 -3.630 1.00 4.43 H new ATOM 0 HD21 LEU A 646 -2.378 2.204 -6.563 1.00 53.33 H new ATOM 0 HD22 LEU A 646 -2.043 0.938 -5.357 1.00 53.33 H new ATOM 0 HD23 LEU A 646 -3.581 0.931 -6.253 1.00 53.33 H new ATOM 1292 N LEU A 647 -6.761 0.459 -2.523 1.00 74.55 N ATOM 1293 CA LEU A 647 -7.579 -0.016 -1.414 1.00 64.22 C ATOM 1294 C LEU A 647 -8.190 -1.378 -1.732 1.00 63.22 C ATOM 1295 O LEU A 647 -8.063 -2.323 -0.953 1.00 4.24 O ATOM 1296 CB LEU A 647 -8.687 0.991 -1.104 1.00 3.43 C ATOM 1297 CG LEU A 647 -8.230 2.343 -0.556 1.00 13.52 C ATOM 1298 CD1 LEU A 647 -9.427 3.177 -0.124 1.00 73.23 C ATOM 1299 CD2 LEU A 647 -7.266 2.149 0.605 1.00 4.41 C ATOM 0 H LEU A 647 -7.069 1.344 -2.925 1.00 74.55 H new ATOM 0 HA LEU A 647 -6.936 -0.121 -0.540 1.00 64.22 H new ATOM 0 HB2 LEU A 647 -9.258 1.165 -2.016 1.00 3.43 H new ATOM 0 HB3 LEU A 647 -9.369 0.541 -0.382 1.00 3.43 H new ATOM 0 HG LEU A 647 -7.709 2.878 -1.350 1.00 13.52 H new ATOM 0 HD11 LEU A 647 -9.082 4.136 0.263 1.00 73.23 H new ATOM 0 HD12 LEU A 647 -10.081 3.345 -0.980 1.00 73.23 H new ATOM 0 HD13 LEU A 647 -9.977 2.648 0.654 1.00 73.23 H new ATOM 0 HD21 LEU A 647 -6.951 3.122 0.983 1.00 4.41 H new ATOM 0 HD22 LEU A 647 -7.762 1.594 1.401 1.00 4.41 H new ATOM 0 HD23 LEU A 647 -6.393 1.592 0.264 1.00 4.41 H new ATOM 1310 N ASP A 648 -8.849 -1.471 -2.882 1.00 50.53 N ATOM 1311 CA ASP A 648 -9.476 -2.718 -3.305 1.00 44.32 C ATOM 1312 C ASP A 648 -8.456 -3.851 -3.351 1.00 11.12 C ATOM 1313 O ASP A 648 -8.694 -4.937 -2.821 1.00 11.03 O ATOM 1314 CB ASP A 648 -10.128 -2.546 -4.678 1.00 44.54 C ATOM 1315 CG ASP A 648 -11.070 -3.683 -5.018 1.00 45.21 C ATOM 1316 OD1 ASP A 648 -12.253 -3.610 -4.625 1.00 4.20 O ATOM 1317 OD2 ASP A 648 -10.625 -4.647 -5.676 1.00 4.44 O ATOM 0 H ASP A 648 -8.963 -0.698 -3.538 1.00 50.53 H new ATOM 0 HA ASP A 648 -10.245 -2.975 -2.576 1.00 44.32 H new ATOM 0 HB2 ASP A 648 -10.677 -1.604 -4.701 1.00 44.54 H new ATOM 0 HB3 ASP A 648 -9.351 -2.481 -5.440 1.00 44.54 H new ATOM 1321 N ARG A 649 -7.319 -3.591 -3.988 1.00 72.31 N ATOM 1322 CA ARG A 649 -6.263 -4.591 -4.105 1.00 13.35 C ATOM 1323 C ARG A 649 -5.681 -4.929 -2.737 1.00 54.44 C ATOM 1324 O ARG A 649 -5.195 -6.038 -2.514 1.00 41.15 O ATOM 1325 CB ARG A 649 -5.155 -4.086 -5.033 1.00 42.32 C ATOM 1326 CG ARG A 649 -5.544 -4.085 -6.502 1.00 13.00 C ATOM 1327 CD ARG A 649 -5.457 -5.479 -7.102 1.00 0.44 C ATOM 1328 NE ARG A 649 -4.078 -5.871 -7.378 1.00 51.33 N ATOM 1329 CZ ARG A 649 -3.384 -5.434 -8.424 1.00 51.51 C ATOM 1330 NH1 ARG A 649 -3.940 -4.594 -9.287 1.00 53.04 N ATOM 1331 NH2 ARG A 649 -2.133 -5.836 -8.607 1.00 45.14 N ATOM 0 H ARG A 649 -7.105 -2.697 -4.431 1.00 72.31 H new ATOM 0 HA ARG A 649 -6.698 -5.496 -4.529 1.00 13.35 H new ATOM 0 HB2 ARG A 649 -4.879 -3.073 -4.738 1.00 42.32 H new ATOM 0 HB3 ARG A 649 -4.270 -4.709 -4.901 1.00 42.32 H new ATOM 0 HG2 ARG A 649 -6.559 -3.704 -6.610 1.00 13.00 H new ATOM 0 HG3 ARG A 649 -4.889 -3.409 -7.052 1.00 13.00 H new ATOM 0 HD2 ARG A 649 -5.908 -6.197 -6.417 1.00 0.44 H new ATOM 0 HD3 ARG A 649 -6.035 -5.513 -8.025 1.00 0.44 H new ATOM 0 HE ARG A 649 -3.622 -6.516 -6.733 1.00 51.33 H new ATOM 0 HH11 ARG A 649 -4.901 -4.283 -9.148 1.00 53.04 H new ATOM 0 HH12 ARG A 649 -3.406 -4.259 -10.089 1.00 53.04 H new ATOM 0 HH21 ARG A 649 -1.703 -6.481 -7.945 1.00 45.14 H new ATOM 0 HH22 ARG A 649 -1.602 -5.500 -9.410 1.00 45.14 H new ATOM 1342 N VAL A 650 -5.732 -3.966 -1.822 1.00 30.35 N ATOM 1343 CA VAL A 650 -5.211 -4.161 -0.475 1.00 22.04 C ATOM 1344 C VAL A 650 -6.081 -5.133 0.315 1.00 73.12 C ATOM 1345 O VAL A 650 -5.575 -6.053 0.960 1.00 20.32 O ATOM 1346 CB VAL A 650 -5.123 -2.828 0.292 1.00 41.14 C ATOM 1347 CG1 VAL A 650 -5.562 -3.014 1.737 1.00 14.23 C ATOM 1348 CG2 VAL A 650 -3.711 -2.267 0.224 1.00 74.10 C ATOM 0 H VAL A 650 -6.130 -3.042 -1.990 1.00 30.35 H new ATOM 0 HA VAL A 650 -4.209 -4.577 -0.580 1.00 22.04 H new ATOM 0 HB VAL A 650 -5.797 -2.112 -0.179 1.00 41.14 H new ATOM 0 HG11 VAL A 650 -5.493 -2.062 2.264 1.00 14.23 H new ATOM 0 HG12 VAL A 650 -6.592 -3.369 1.761 1.00 14.23 H new ATOM 0 HG13 VAL A 650 -4.915 -3.745 2.223 1.00 14.23 H new ATOM 0 HG21 VAL A 650 -3.667 -1.325 0.771 1.00 74.10 H new ATOM 0 HG22 VAL A 650 -3.015 -2.978 0.669 1.00 74.10 H new ATOM 0 HG23 VAL A 650 -3.438 -2.095 -0.817 1.00 74.10 H new ATOM 1358 N LEU A 651 -7.391 -4.924 0.260 1.00 44.44 N ATOM 1359 CA LEU A 651 -8.333 -5.783 0.971 1.00 52.33 C ATOM 1360 C LEU A 651 -8.447 -7.144 0.292 1.00 2.14 C ATOM 1361 O LEU A 651 -8.782 -8.141 0.932 1.00 13.52 O ATOM 1362 CB LEU A 651 -9.708 -5.117 1.039 1.00 21.21 C ATOM 1363 CG LEU A 651 -9.891 -4.064 2.133 1.00 31.33 C ATOM 1364 CD1 LEU A 651 -11.227 -3.354 1.972 1.00 43.01 C ATOM 1365 CD2 LEU A 651 -9.786 -4.701 3.511 1.00 31.32 C ATOM 0 H LEU A 651 -7.826 -4.168 -0.269 1.00 44.44 H new ATOM 0 HA LEU A 651 -7.958 -5.933 1.984 1.00 52.33 H new ATOM 0 HB2 LEU A 651 -9.911 -4.650 0.075 1.00 21.21 H new ATOM 0 HB3 LEU A 651 -10.459 -5.894 1.181 1.00 21.21 H new ATOM 0 HG LEU A 651 -9.096 -3.325 2.036 1.00 31.33 H new ATOM 0 HD11 LEU A 651 -11.340 -2.608 2.759 1.00 43.01 H new ATOM 0 HD12 LEU A 651 -11.263 -2.863 0.999 1.00 43.01 H new ATOM 0 HD13 LEU A 651 -12.036 -4.081 2.042 1.00 43.01 H new ATOM 0 HD21 LEU A 651 -9.919 -3.936 4.276 1.00 31.32 H new ATOM 0 HD22 LEU A 651 -10.559 -5.462 3.620 1.00 31.32 H new ATOM 0 HD23 LEU A 651 -8.805 -5.162 3.625 1.00 31.32 H new ATOM 1376 N ALA A 652 -8.166 -7.177 -1.006 1.00 60.44 N ATOM 1377 CA ALA A 652 -8.233 -8.417 -1.770 1.00 73.32 C ATOM 1378 C ALA A 652 -7.153 -9.396 -1.323 1.00 62.42 C ATOM 1379 O ALA A 652 -7.441 -10.550 -1.004 1.00 35.23 O ATOM 1380 CB ALA A 652 -8.103 -8.127 -3.258 1.00 71.40 C ATOM 0 H ALA A 652 -7.890 -6.360 -1.551 1.00 60.44 H new ATOM 0 HA ALA A 652 -9.203 -8.878 -1.584 1.00 73.32 H new ATOM 0 HB1 ALA A 652 -8.155 -9.062 -3.817 1.00 71.40 H new ATOM 0 HB2 ALA A 652 -8.914 -7.471 -3.573 1.00 71.40 H new ATOM 0 HB3 ALA A 652 -7.147 -7.641 -3.452 1.00 71.40 H new ATOM 1386 N ALA A 653 -5.909 -8.929 -1.303 1.00 63.52 N ATOM 1387 CA ALA A 653 -4.786 -9.764 -0.894 1.00 64.50 C ATOM 1388 C ALA A 653 -4.855 -10.086 0.595 1.00 41.42 C ATOM 1389 O ALA A 653 -4.799 -11.251 0.992 1.00 3.53 O ATOM 1390 CB ALA A 653 -3.469 -9.079 -1.227 1.00 2.33 C ATOM 0 H ALA A 653 -5.653 -7.977 -1.565 1.00 63.52 H new ATOM 0 HA ALA A 653 -4.844 -10.702 -1.445 1.00 64.50 H new ATOM 0 HB1 ALA A 653 -2.640 -9.714 -0.916 1.00 2.33 H new ATOM 0 HB2 ALA A 653 -3.410 -8.906 -2.302 1.00 2.33 H new ATOM 0 HB3 ALA A 653 -3.412 -8.125 -0.702 1.00 2.33 H new ATOM 1396 N HIS A 654 -4.975 -9.047 1.416 1.00 30.13 N ATOM 1397 CA HIS A 654 -5.051 -9.220 2.862 1.00 53.22 C ATOM 1398 C HIS A 654 -6.174 -10.182 3.235 1.00 4.41 C ATOM 1399 O HIS A 654 -6.090 -10.888 4.240 1.00 62.43 O ATOM 1400 CB HIS A 654 -5.270 -7.870 3.547 1.00 45.01 C ATOM 1401 CG HIS A 654 -4.134 -6.912 3.362 1.00 30.03 C ATOM 1402 ND1 HIS A 654 -4.241 -5.561 3.614 1.00 41.23 N ATOM 1403 CD2 HIS A 654 -2.863 -7.117 2.948 1.00 75.54 C ATOM 1404 CE1 HIS A 654 -3.083 -4.976 3.361 1.00 43.41 C ATOM 1405 NE2 HIS A 654 -2.229 -5.898 2.957 1.00 24.22 N ATOM 0 H HIS A 654 -5.022 -8.077 1.104 1.00 30.13 H new ATOM 0 HA HIS A 654 -4.106 -9.643 3.204 1.00 53.22 H new ATOM 0 HB2 HIS A 654 -6.182 -7.418 3.157 1.00 45.01 H new ATOM 0 HB3 HIS A 654 -5.426 -8.034 4.613 1.00 45.01 H new ATOM 0 HD1 HIS A 654 -5.082 -5.087 3.944 1.00 41.23 H new ATOM 0 HD2 HIS A 654 -2.427 -8.063 2.663 1.00 75.54 H new ATOM 0 HE1 HIS A 654 -2.871 -3.922 3.467 1.00 43.41 H new ATOM 1412 N ALA A 655 -7.224 -10.203 2.422 1.00 25.33 N ATOM 1413 CA ALA A 655 -8.362 -11.080 2.666 1.00 5.23 C ATOM 1414 C ALA A 655 -7.991 -12.540 2.436 1.00 64.13 C ATOM 1415 O ALA A 655 -8.302 -13.407 3.254 1.00 34.45 O ATOM 1416 CB ALA A 655 -9.534 -10.684 1.779 1.00 74.11 C ATOM 0 H ALA A 655 -7.310 -9.622 1.588 1.00 25.33 H new ATOM 0 HA ALA A 655 -8.657 -10.969 3.709 1.00 5.23 H new ATOM 0 HB1 ALA A 655 -10.377 -11.348 1.972 1.00 74.11 H new ATOM 0 HB2 ALA A 655 -9.824 -9.656 1.997 1.00 74.11 H new ATOM 0 HB3 ALA A 655 -9.241 -10.764 0.732 1.00 74.11 H new ATOM 1422 N TYR A 656 -7.325 -12.807 1.317 1.00 44.51 N ATOM 1423 CA TYR A 656 -6.914 -14.164 0.979 1.00 32.52 C ATOM 1424 C TYR A 656 -5.819 -14.653 1.921 1.00 70.02 C ATOM 1425 O TYR A 656 -5.902 -15.753 2.469 1.00 12.44 O ATOM 1426 CB TYR A 656 -6.420 -14.222 -0.468 1.00 21.23 C ATOM 1427 CG TYR A 656 -5.886 -15.578 -0.871 1.00 72.05 C ATOM 1428 CD1 TYR A 656 -6.729 -16.679 -0.967 1.00 55.42 C ATOM 1429 CD2 TYR A 656 -4.538 -15.758 -1.157 1.00 65.31 C ATOM 1430 CE1 TYR A 656 -6.244 -17.919 -1.333 1.00 20.43 C ATOM 1431 CE2 TYR A 656 -4.046 -16.995 -1.526 1.00 73.33 C ATOM 1432 CZ TYR A 656 -4.902 -18.072 -1.613 1.00 51.15 C ATOM 1433 OH TYR A 656 -4.416 -19.307 -1.981 1.00 50.51 O ATOM 0 H TYR A 656 -7.059 -12.102 0.630 1.00 44.51 H new ATOM 0 HA TYR A 656 -7.780 -14.817 1.089 1.00 32.52 H new ATOM 0 HB2 TYR A 656 -7.239 -13.951 -1.134 1.00 21.23 H new ATOM 0 HB3 TYR A 656 -5.637 -13.477 -0.606 1.00 21.23 H new ATOM 0 HD1 TYR A 656 -7.781 -16.563 -0.752 1.00 55.42 H new ATOM 0 HD2 TYR A 656 -3.864 -14.917 -1.090 1.00 65.31 H new ATOM 0 HE1 TYR A 656 -6.912 -18.765 -1.400 1.00 20.43 H new ATOM 0 HE2 TYR A 656 -2.996 -17.118 -1.745 1.00 73.33 H new ATOM 0 HH TYR A 656 -3.452 -19.244 -2.144 1.00 50.51 H new ATOM 1442 N TRP A 657 -4.794 -13.828 2.105 1.00 63.54 N ATOM 1443 CA TRP A 657 -3.681 -14.176 2.982 1.00 0.11 C ATOM 1444 C TRP A 657 -4.170 -14.444 4.401 1.00 41.21 C ATOM 1445 O TRP A 657 -3.712 -15.377 5.060 1.00 74.24 O ATOM 1446 CB TRP A 657 -2.642 -13.054 2.990 1.00 40.01 C ATOM 1447 CG TRP A 657 -1.915 -12.908 1.688 1.00 13.34 C ATOM 1448 CD1 TRP A 657 -1.761 -11.763 0.959 1.00 40.21 C ATOM 1449 CD2 TRP A 657 -1.245 -13.942 0.960 1.00 42.13 C ATOM 1450 NE1 TRP A 657 -1.036 -12.023 -0.178 1.00 24.31 N ATOM 1451 CE2 TRP A 657 -0.707 -13.353 -0.201 1.00 51.15 C ATOM 1452 CE3 TRP A 657 -1.046 -15.308 1.176 1.00 62.34 C ATOM 1453 CZ2 TRP A 657 0.016 -14.084 -1.140 1.00 20.45 C ATOM 1454 CZ3 TRP A 657 -0.329 -16.033 0.243 1.00 43.11 C ATOM 1455 CH2 TRP A 657 0.196 -15.420 -0.903 1.00 20.12 C ATOM 0 H TRP A 657 -4.710 -12.914 1.659 1.00 63.54 H new ATOM 0 HA TRP A 657 -3.219 -15.086 2.599 1.00 0.11 H new ATOM 0 HB2 TRP A 657 -3.136 -12.113 3.229 1.00 40.01 H new ATOM 0 HB3 TRP A 657 -1.918 -13.244 3.783 1.00 40.01 H new ATOM 0 HD1 TRP A 657 -2.152 -10.795 1.236 1.00 40.21 H new ATOM 0 HE1 TRP A 657 -0.783 -11.337 -0.890 1.00 24.31 H new ATOM 0 HE3 TRP A 657 -1.445 -15.789 2.057 1.00 62.34 H new ATOM 0 HZ2 TRP A 657 0.420 -13.613 -2.024 1.00 20.45 H new ATOM 0 HZ3 TRP A 657 -0.171 -17.090 0.400 1.00 43.11 H new ATOM 0 HH2 TRP A 657 0.753 -16.013 -1.613 1.00 20.12 H new ATOM 1465 N SER A 658 -5.103 -13.619 4.867 1.00 62.44 N ATOM 1466 CA SER A 658 -5.651 -13.766 6.211 1.00 35.51 C ATOM 1467 C SER A 658 -6.545 -14.999 6.300 1.00 12.12 C ATOM 1468 O SER A 658 -6.651 -15.624 7.355 1.00 62.31 O ATOM 1469 CB SER A 658 -6.445 -12.516 6.598 1.00 64.14 C ATOM 1470 OG SER A 658 -7.177 -12.729 7.793 1.00 4.30 O ATOM 0 H SER A 658 -5.495 -12.843 4.334 1.00 62.44 H new ATOM 0 HA SER A 658 -4.821 -13.890 6.906 1.00 35.51 H new ATOM 0 HB2 SER A 658 -5.764 -11.675 6.729 1.00 64.14 H new ATOM 0 HB3 SER A 658 -7.128 -12.251 5.791 1.00 64.14 H new ATOM 0 HG SER A 658 -7.675 -11.916 8.021 1.00 4.30 H new ATOM 1475 N GLN A 659 -7.185 -15.340 5.187 1.00 2.21 N ATOM 1476 CA GLN A 659 -8.071 -16.497 5.141 1.00 24.52 C ATOM 1477 C GLN A 659 -7.331 -17.766 5.553 1.00 23.32 C ATOM 1478 O GLN A 659 -7.939 -18.718 6.040 1.00 44.31 O ATOM 1479 CB GLN A 659 -8.652 -16.666 3.736 1.00 32.35 C ATOM 1480 CG GLN A 659 -9.926 -17.495 3.698 1.00 51.35 C ATOM 1481 CD GLN A 659 -9.650 -18.982 3.582 1.00 20.31 C ATOM 1482 OE1 GLN A 659 -9.883 -19.743 4.522 1.00 53.32 O ATOM 1483 NE2 GLN A 659 -9.152 -19.403 2.426 1.00 23.15 N ATOM 0 H GLN A 659 -7.107 -14.832 4.306 1.00 2.21 H new ATOM 0 HA GLN A 659 -8.885 -16.327 5.846 1.00 24.52 H new ATOM 0 HB2 GLN A 659 -8.857 -15.681 3.316 1.00 32.35 H new ATOM 0 HB3 GLN A 659 -7.904 -17.136 3.097 1.00 32.35 H new ATOM 0 HG2 GLN A 659 -10.505 -17.306 4.602 1.00 51.35 H new ATOM 0 HG3 GLN A 659 -10.538 -17.176 2.854 1.00 51.35 H new ATOM 0 HE21 GLN A 659 -8.975 -18.737 1.674 1.00 23.15 H new ATOM 0 HE22 GLN A 659 -8.947 -20.393 2.289 1.00 23.15 H new