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 28:sc= 0.264 USER MOD Single : A 594 HIS : no HE2:sc= -0.224 K(o=-0.22,f=-2.1) USER MOD Single : A 597 THR OG1 : rot 180:sc= 0 USER MOD Single : A 604 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 605 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 616 TYR OH : rot 180:sc= 0 USER MOD Single : A 620 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 622 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.163) 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 HE2:sc= -0.529 K(o=-0.53,f=-3!) USER MOD Single : A 629 THR OG1 : rot 180:sc= 0 USER MOD Single : A 631 SER OG : rot -64:sc= 0.944 USER MOD Single : A 644 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 654 HIS : no HD1:sc= -0.656 K(o=-0.66,f=-1.4) 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= -0.0193 X(o=-0.019,f=-0.019) USER MOD ----------------------------------------------------------------- ATOM 321 N SER A 581 1.138 10.175 -3.197 1.00 14.33 N ATOM 322 CA SER A 581 -0.087 10.281 -3.980 1.00 54.11 C ATOM 323 C SER A 581 -0.558 8.905 -4.443 1.00 32.20 C ATOM 324 O SER A 581 0.052 7.886 -4.117 1.00 20.20 O ATOM 325 CB SER A 581 0.132 11.191 -5.190 1.00 34.04 C ATOM 326 OG SER A 581 0.796 12.386 -4.817 1.00 75.13 O ATOM 0 HA SER A 581 -0.858 10.715 -3.343 1.00 54.11 H new ATOM 0 HB2 SER A 581 0.719 10.665 -5.943 1.00 34.04 H new ATOM 0 HB3 SER A 581 -0.828 11.432 -5.646 1.00 34.04 H new ATOM 0 HG SER A 581 1.353 12.218 -4.029 1.00 75.13 H new ATOM 331 N VAL A 582 -1.647 8.884 -5.205 1.00 34.41 N ATOM 332 CA VAL A 582 -2.200 7.634 -5.714 1.00 72.51 C ATOM 333 C VAL A 582 -1.126 6.799 -6.404 1.00 72.15 C ATOM 334 O VAL A 582 -1.105 5.576 -6.282 1.00 22.41 O ATOM 335 CB VAL A 582 -3.350 7.893 -6.705 1.00 65.31 C ATOM 336 CG1 VAL A 582 -3.887 6.579 -7.253 1.00 75.23 C ATOM 337 CG2 VAL A 582 -4.457 8.694 -6.037 1.00 15.41 C ATOM 0 H VAL A 582 -2.164 9.718 -5.483 1.00 34.41 H new ATOM 0 HA VAL A 582 -2.587 7.085 -4.856 1.00 72.51 H new ATOM 0 HB VAL A 582 -2.964 8.477 -7.540 1.00 65.31 H new ATOM 0 HG11 VAL A 582 -4.699 6.781 -7.952 1.00 75.23 H new ATOM 0 HG12 VAL A 582 -3.088 6.046 -7.769 1.00 75.23 H new ATOM 0 HG13 VAL A 582 -4.259 5.967 -6.431 1.00 75.23 H new ATOM 0 HG21 VAL A 582 -5.262 8.868 -6.751 1.00 15.41 H new ATOM 0 HG22 VAL A 582 -4.844 8.138 -5.183 1.00 15.41 H new ATOM 0 HG23 VAL A 582 -4.060 9.651 -5.697 1.00 15.41 H new ATOM 347 N ALA A 583 -0.238 7.471 -7.128 1.00 33.31 N ATOM 348 CA ALA A 583 0.841 6.791 -7.836 1.00 51.53 C ATOM 349 C ALA A 583 1.864 6.221 -6.860 1.00 50.02 C ATOM 350 O ALA A 583 2.411 5.141 -7.082 1.00 63.12 O ATOM 351 CB ALA A 583 1.514 7.745 -8.813 1.00 64.33 C ATOM 0 H ALA A 583 -0.244 8.485 -7.240 1.00 33.31 H new ATOM 0 HA ALA A 583 0.410 5.961 -8.395 1.00 51.53 H new ATOM 0 HB1 ALA A 583 2.317 7.225 -9.335 1.00 64.33 H new ATOM 0 HB2 ALA A 583 0.781 8.100 -9.538 1.00 64.33 H new ATOM 0 HB3 ALA A 583 1.926 8.594 -8.267 1.00 64.33 H new ATOM 357 N GLU A 584 2.119 6.954 -5.780 1.00 4.43 N ATOM 358 CA GLU A 584 3.078 6.519 -4.772 1.00 12.01 C ATOM 359 C GLU A 584 2.529 5.343 -3.970 1.00 22.02 C ATOM 360 O GLU A 584 3.191 4.316 -3.820 1.00 11.32 O ATOM 361 CB GLU A 584 3.423 7.676 -3.832 1.00 51.34 C ATOM 362 CG GLU A 584 4.248 8.769 -4.489 1.00 32.42 C ATOM 363 CD GLU A 584 5.304 9.340 -3.561 1.00 52.23 C ATOM 364 OE1 GLU A 584 5.887 8.564 -2.777 1.00 44.13 O ATOM 365 OE2 GLU A 584 5.546 10.564 -3.621 1.00 40.35 O ATOM 0 H GLU A 584 1.675 7.851 -5.581 1.00 4.43 H new ATOM 0 HA GLU A 584 3.984 6.195 -5.285 1.00 12.01 H new ATOM 0 HB2 GLU A 584 2.499 8.110 -3.450 1.00 51.34 H new ATOM 0 HB3 GLU A 584 3.970 7.285 -2.974 1.00 51.34 H new ATOM 0 HG2 GLU A 584 4.731 8.369 -5.380 1.00 32.42 H new ATOM 0 HG3 GLU A 584 3.587 9.571 -4.818 1.00 32.42 H new ATOM 370 N VAL A 585 1.314 5.502 -3.454 1.00 71.41 N ATOM 371 CA VAL A 585 0.675 4.455 -2.666 1.00 4.34 C ATOM 372 C VAL A 585 0.643 3.135 -3.430 1.00 12.43 C ATOM 373 O VAL A 585 0.751 2.062 -2.839 1.00 21.21 O ATOM 374 CB VAL A 585 -0.763 4.844 -2.276 1.00 42.12 C ATOM 375 CG1 VAL A 585 -1.417 3.734 -1.467 1.00 32.34 C ATOM 376 CG2 VAL A 585 -0.767 6.153 -1.501 1.00 53.11 C ATOM 0 H VAL A 585 0.753 6.346 -3.568 1.00 71.41 H new ATOM 0 HA VAL A 585 1.269 4.334 -1.760 1.00 4.34 H new ATOM 0 HB VAL A 585 -1.343 4.985 -3.188 1.00 42.12 H new ATOM 0 HG11 VAL A 585 -2.432 4.028 -1.201 1.00 32.34 H new ATOM 0 HG12 VAL A 585 -1.447 2.820 -2.061 1.00 32.34 H new ATOM 0 HG13 VAL A 585 -0.841 3.558 -0.559 1.00 32.34 H new ATOM 0 HG21 VAL A 585 -1.791 6.414 -1.233 1.00 53.11 H new ATOM 0 HG22 VAL A 585 -0.172 6.041 -0.595 1.00 53.11 H new ATOM 0 HG23 VAL A 585 -0.341 6.943 -2.119 1.00 53.11 H new ATOM 386 N GLU A 586 0.492 3.224 -4.749 1.00 73.13 N ATOM 387 CA GLU A 586 0.445 2.037 -5.594 1.00 61.21 C ATOM 388 C GLU A 586 1.643 1.131 -5.325 1.00 12.30 C ATOM 389 O GLU A 586 1.522 -0.093 -5.329 1.00 1.55 O ATOM 390 CB GLU A 586 0.413 2.436 -7.071 1.00 73.30 C ATOM 391 CG GLU A 586 -0.964 2.852 -7.559 1.00 13.44 C ATOM 392 CD GLU A 586 -0.902 3.790 -8.749 1.00 2.33 C ATOM 393 OE1 GLU A 586 -0.007 3.611 -9.600 1.00 23.14 O ATOM 394 OE2 GLU A 586 -1.751 4.702 -8.830 1.00 42.03 O ATOM 0 H GLU A 586 0.400 4.105 -5.254 1.00 73.13 H new ATOM 0 HA GLU A 586 -0.465 1.487 -5.355 1.00 61.21 H new ATOM 0 HB2 GLU A 586 1.110 3.258 -7.232 1.00 73.30 H new ATOM 0 HB3 GLU A 586 0.765 1.598 -7.673 1.00 73.30 H new ATOM 0 HG2 GLU A 586 -1.533 1.963 -7.831 1.00 13.44 H new ATOM 0 HG3 GLU A 586 -1.502 3.338 -6.745 1.00 13.44 H new ATOM 399 N ALA A 587 2.800 1.742 -5.094 1.00 63.32 N ATOM 400 CA ALA A 587 4.019 0.992 -4.822 1.00 21.34 C ATOM 401 C ALA A 587 3.888 0.175 -3.542 1.00 63.24 C ATOM 402 O ALA A 587 4.464 -0.907 -3.421 1.00 11.21 O ATOM 403 CB ALA A 587 5.210 1.935 -4.730 1.00 72.41 C ATOM 0 H ALA A 587 2.918 2.755 -5.090 1.00 63.32 H new ATOM 0 HA ALA A 587 4.181 0.299 -5.648 1.00 21.34 H new ATOM 0 HB1 ALA A 587 6.114 1.361 -4.526 1.00 72.41 H new ATOM 0 HB2 ALA A 587 5.324 2.470 -5.673 1.00 72.41 H new ATOM 0 HB3 ALA A 587 5.046 2.651 -3.925 1.00 72.41 H new ATOM 409 N LEU A 588 3.129 0.699 -2.586 1.00 75.14 N ATOM 410 CA LEU A 588 2.923 0.019 -1.312 1.00 1.30 C ATOM 411 C LEU A 588 2.030 -1.205 -1.488 1.00 62.40 C ATOM 412 O LEU A 588 2.409 -2.319 -1.125 1.00 44.41 O ATOM 413 CB LEU A 588 2.300 0.977 -0.295 1.00 50.51 C ATOM 414 CG LEU A 588 2.465 0.593 1.176 1.00 73.40 C ATOM 415 CD1 LEU A 588 1.707 -0.688 1.482 1.00 62.21 C ATOM 416 CD2 LEU A 588 3.939 0.441 1.525 1.00 1.22 C ATOM 0 H LEU A 588 2.646 1.593 -2.669 1.00 75.14 H new ATOM 0 HA LEU A 588 3.894 -0.312 -0.943 1.00 1.30 H new ATOM 0 HB2 LEU A 588 2.735 1.965 -0.443 1.00 50.51 H new ATOM 0 HB3 LEU A 588 1.235 1.062 -0.511 1.00 50.51 H new ATOM 0 HG LEU A 588 2.048 1.392 1.789 1.00 73.40 H new ATOM 0 HD11 LEU A 588 1.836 -0.945 2.533 1.00 62.21 H new ATOM 0 HD12 LEU A 588 0.647 -0.543 1.272 1.00 62.21 H new ATOM 0 HD13 LEU A 588 2.093 -1.496 0.861 1.00 62.21 H new ATOM 0 HD21 LEU A 588 4.038 0.168 2.576 1.00 1.22 H new ATOM 0 HD22 LEU A 588 4.381 -0.338 0.904 1.00 1.22 H new ATOM 0 HD23 LEU A 588 4.455 1.384 1.346 1.00 1.22 H new ATOM 427 N VAL A 589 0.844 -0.992 -2.048 1.00 73.24 N ATOM 428 CA VAL A 589 -0.101 -2.079 -2.275 1.00 60.22 C ATOM 429 C VAL A 589 0.463 -3.102 -3.253 1.00 23.32 C ATOM 430 O VAL A 589 0.393 -4.308 -3.014 1.00 51.22 O ATOM 431 CB VAL A 589 -1.443 -1.551 -2.818 1.00 31.42 C ATOM 432 CG1 VAL A 589 -1.221 -0.714 -4.068 1.00 32.30 C ATOM 433 CG2 VAL A 589 -2.392 -2.705 -3.102 1.00 42.30 C ATOM 0 H VAL A 589 0.514 -0.076 -2.353 1.00 73.24 H new ATOM 0 HA VAL A 589 -0.270 -2.558 -1.311 1.00 60.22 H new ATOM 0 HB VAL A 589 -1.897 -0.914 -2.059 1.00 31.42 H new ATOM 0 HG11 VAL A 589 -2.180 -0.350 -4.437 1.00 32.30 H new ATOM 0 HG12 VAL A 589 -0.579 0.133 -3.829 1.00 32.30 H new ATOM 0 HG13 VAL A 589 -0.745 -1.325 -4.835 1.00 32.30 H new ATOM 0 HG21 VAL A 589 -3.335 -2.315 -3.485 1.00 42.30 H new ATOM 0 HG22 VAL A 589 -1.946 -3.369 -3.843 1.00 42.30 H new ATOM 0 HG23 VAL A 589 -2.576 -3.260 -2.182 1.00 42.30 H new ATOM 443 N GLU A 590 1.024 -2.614 -4.355 1.00 33.32 N ATOM 444 CA GLU A 590 1.601 -3.488 -5.370 1.00 60.05 C ATOM 445 C GLU A 590 2.598 -4.461 -4.747 1.00 40.25 C ATOM 446 O GLU A 590 2.554 -5.662 -5.008 1.00 25.51 O ATOM 447 CB GLU A 590 2.291 -2.660 -6.456 1.00 53.35 C ATOM 448 CG GLU A 590 1.327 -2.050 -7.461 1.00 64.51 C ATOM 449 CD GLU A 590 1.916 -0.854 -8.181 1.00 35.45 C ATOM 450 OE1 GLU A 590 3.009 -0.398 -7.781 1.00 44.05 O ATOM 451 OE2 GLU A 590 1.287 -0.372 -9.146 1.00 45.23 O ATOM 0 H GLU A 590 1.091 -1.619 -4.568 1.00 33.32 H new ATOM 0 HA GLU A 590 0.792 -4.062 -5.821 1.00 60.05 H new ATOM 0 HB2 GLU A 590 2.864 -1.862 -5.984 1.00 53.35 H new ATOM 0 HB3 GLU A 590 3.003 -3.293 -6.986 1.00 53.35 H new ATOM 0 HG2 GLU A 590 1.044 -2.807 -8.193 1.00 64.51 H new ATOM 0 HG3 GLU A 590 0.415 -1.747 -6.947 1.00 64.51 H new ATOM 456 N ALA A 591 3.497 -3.932 -3.923 1.00 41.02 N ATOM 457 CA ALA A 591 4.504 -4.753 -3.262 1.00 61.05 C ATOM 458 C ALA A 591 3.864 -5.694 -2.247 1.00 0.34 C ATOM 459 O ALA A 591 4.316 -6.824 -2.063 1.00 0.14 O ATOM 460 CB ALA A 591 5.541 -3.870 -2.585 1.00 22.44 C ATOM 0 H ALA A 591 3.548 -2.939 -3.697 1.00 41.02 H new ATOM 0 HA ALA A 591 4.998 -5.360 -4.020 1.00 61.05 H new ATOM 0 HB1 ALA A 591 6.287 -4.495 -2.095 1.00 22.44 H new ATOM 0 HB2 ALA A 591 6.027 -3.242 -3.332 1.00 22.44 H new ATOM 0 HB3 ALA A 591 5.053 -3.239 -1.843 1.00 22.44 H new ATOM 466 N VAL A 592 2.810 -5.221 -1.590 1.00 60.43 N ATOM 467 CA VAL A 592 2.108 -6.022 -0.593 1.00 11.43 C ATOM 468 C VAL A 592 1.339 -7.164 -1.248 1.00 51.44 C ATOM 469 O VAL A 592 1.111 -8.204 -0.632 1.00 51.42 O ATOM 470 CB VAL A 592 1.129 -5.162 0.228 1.00 24.00 C ATOM 471 CG1 VAL A 592 0.091 -6.040 0.911 1.00 1.55 C ATOM 472 CG2 VAL A 592 1.884 -4.324 1.249 1.00 73.14 C ATOM 0 H VAL A 592 2.423 -4.288 -1.730 1.00 60.43 H new ATOM 0 HA VAL A 592 2.865 -6.434 0.074 1.00 11.43 H new ATOM 0 HB VAL A 592 0.609 -4.486 -0.451 1.00 24.00 H new ATOM 0 HG11 VAL A 592 -0.592 -5.415 1.486 1.00 1.55 H new ATOM 0 HG12 VAL A 592 -0.470 -6.593 0.158 1.00 1.55 H new ATOM 0 HG13 VAL A 592 0.591 -6.742 1.579 1.00 1.55 H new ATOM 0 HG21 VAL A 592 1.177 -3.722 1.820 1.00 73.14 H new ATOM 0 HG22 VAL A 592 2.431 -4.981 1.925 1.00 73.14 H new ATOM 0 HG23 VAL A 592 2.585 -3.668 0.734 1.00 73.14 H new ATOM 482 N GLU A 593 0.943 -6.961 -2.501 1.00 11.13 N ATOM 483 CA GLU A 593 0.199 -7.975 -3.239 1.00 15.33 C ATOM 484 C GLU A 593 1.118 -9.110 -3.682 1.00 42.02 C ATOM 485 O GLU A 593 0.719 -10.274 -3.702 1.00 64.23 O ATOM 486 CB GLU A 593 -0.483 -7.351 -4.459 1.00 41.25 C ATOM 487 CG GLU A 593 -1.977 -7.136 -4.278 1.00 31.43 C ATOM 488 CD GLU A 593 -2.756 -7.344 -5.562 1.00 31.41 C ATOM 489 OE1 GLU A 593 -2.155 -7.208 -6.649 1.00 62.12 O ATOM 490 OE2 GLU A 593 -3.965 -7.643 -5.481 1.00 71.15 O ATOM 0 H GLU A 593 1.125 -6.105 -3.025 1.00 11.13 H new ATOM 0 HA GLU A 593 -0.562 -8.385 -2.575 1.00 15.33 H new ATOM 0 HB2 GLU A 593 -0.011 -6.393 -4.679 1.00 41.25 H new ATOM 0 HB3 GLU A 593 -0.319 -7.993 -5.324 1.00 41.25 H new ATOM 0 HG2 GLU A 593 -2.349 -7.821 -3.517 1.00 31.43 H new ATOM 0 HG3 GLU A 593 -2.153 -6.125 -3.910 1.00 31.43 H new ATOM 495 N HIS A 594 2.350 -8.762 -4.037 1.00 34.44 N ATOM 496 CA HIS A 594 3.327 -9.751 -4.479 1.00 53.23 C ATOM 497 C HIS A 594 4.060 -10.360 -3.289 1.00 63.54 C ATOM 498 O HIS A 594 4.184 -11.580 -3.181 1.00 21.13 O ATOM 499 CB HIS A 594 4.331 -9.112 -5.439 1.00 10.34 C ATOM 500 CG HIS A 594 5.064 -10.106 -6.287 1.00 33.03 C ATOM 501 ND1 HIS A 594 5.461 -11.342 -5.823 1.00 1.13 N ATOM 502 CD2 HIS A 594 5.470 -10.041 -7.577 1.00 43.41 C ATOM 503 CE1 HIS A 594 6.081 -11.994 -6.792 1.00 65.03 C ATOM 504 NE2 HIS A 594 6.100 -11.227 -7.866 1.00 53.04 N ATOM 0 H HIS A 594 2.696 -7.803 -4.027 1.00 34.44 H new ATOM 0 HA HIS A 594 2.793 -10.546 -4.999 1.00 53.23 H new ATOM 0 HB2 HIS A 594 3.806 -8.411 -6.087 1.00 10.34 H new ATOM 0 HB3 HIS A 594 5.054 -8.534 -4.864 1.00 10.34 H new ATOM 0 HD1 HIS A 594 5.302 -11.698 -4.880 1.00 1.13 H new ATOM 0 HD2 HIS A 594 5.325 -9.211 -8.253 1.00 43.41 H new ATOM 0 HE1 HIS A 594 6.501 -12.986 -6.717 1.00 65.03 H new ATOM 511 N LEU A 595 4.546 -9.503 -2.397 1.00 73.13 N ATOM 512 CA LEU A 595 5.268 -9.957 -1.215 1.00 65.54 C ATOM 513 C LEU A 595 4.301 -10.412 -0.126 1.00 40.32 C ATOM 514 O LEU A 595 4.651 -11.221 0.733 1.00 12.31 O ATOM 515 CB LEU A 595 6.165 -8.839 -0.679 1.00 75.34 C ATOM 516 CG LEU A 595 7.428 -8.545 -1.489 1.00 1.41 C ATOM 517 CD1 LEU A 595 8.194 -9.829 -1.767 1.00 22.24 C ATOM 518 CD2 LEU A 595 7.074 -7.841 -2.791 1.00 12.31 C ATOM 0 H LEU A 595 4.453 -8.490 -2.471 1.00 73.13 H new ATOM 0 HA LEU A 595 5.888 -10.806 -1.504 1.00 65.54 H new ATOM 0 HB2 LEU A 595 5.575 -7.924 -0.619 1.00 75.34 H new ATOM 0 HB3 LEU A 595 6.461 -9.095 0.338 1.00 75.34 H new ATOM 0 HG LEU A 595 8.067 -7.884 -0.903 1.00 1.41 H new ATOM 0 HD11 LEU A 595 9.090 -9.601 -2.344 1.00 22.24 H new ATOM 0 HD12 LEU A 595 8.479 -10.294 -0.823 1.00 22.24 H new ATOM 0 HD13 LEU A 595 7.563 -10.514 -2.333 1.00 22.24 H new ATOM 0 HD21 LEU A 595 7.985 -7.639 -3.355 1.00 12.31 H new ATOM 0 HD22 LEU A 595 6.415 -8.478 -3.381 1.00 12.31 H new ATOM 0 HD23 LEU A 595 6.568 -6.901 -2.570 1.00 12.31 H new ATOM 529 N GLY A 596 3.079 -9.888 -0.171 1.00 1.01 N ATOM 530 CA GLY A 596 2.079 -10.254 0.814 1.00 44.14 C ATOM 531 C GLY A 596 2.122 -9.365 2.042 1.00 23.12 C ATOM 532 O GLY A 596 2.692 -8.275 2.010 1.00 21.24 O ATOM 0 H GLY A 596 2.765 -9.217 -0.872 1.00 1.01 H new ATOM 0 HA2 GLY A 596 1.089 -10.196 0.361 1.00 44.14 H new ATOM 0 HA3 GLY A 596 2.231 -11.291 1.114 1.00 44.14 H new ATOM 536 N THR A 597 1.515 -9.831 3.130 1.00 24.10 N ATOM 537 CA THR A 597 1.484 -9.071 4.372 1.00 43.33 C ATOM 538 C THR A 597 2.409 -9.685 5.416 1.00 21.33 C ATOM 539 O THR A 597 2.193 -9.533 6.618 1.00 20.02 O ATOM 540 CB THR A 597 0.057 -8.995 4.949 1.00 32.51 C ATOM 541 OG1 THR A 597 -0.556 -10.288 4.909 1.00 3.52 O ATOM 542 CG2 THR A 597 -0.789 -8.001 4.169 1.00 2.11 C ATOM 0 H THR A 597 1.038 -10.732 3.175 1.00 24.10 H new ATOM 0 HA THR A 597 1.826 -8.064 4.134 1.00 43.33 H new ATOM 0 HB THR A 597 0.123 -8.657 5.983 1.00 32.51 H new ATOM 0 HG1 THR A 597 -1.462 -10.232 5.279 1.00 3.52 H new ATOM 0 HG21 THR A 597 -1.792 -7.964 4.594 1.00 2.11 H new ATOM 0 HG22 THR A 597 -0.334 -7.012 4.226 1.00 2.11 H new ATOM 0 HG23 THR A 597 -0.848 -8.313 3.126 1.00 2.11 H new ATOM 550 N GLY A 598 3.443 -10.378 4.950 1.00 32.05 N ATOM 551 CA GLY A 598 4.388 -11.004 5.856 1.00 41.12 C ATOM 552 C GLY A 598 5.828 -10.698 5.496 1.00 42.32 C ATOM 553 O GLY A 598 6.753 -11.158 6.166 1.00 20.14 O ATOM 0 H GLY A 598 3.643 -10.517 3.960 1.00 32.05 H new ATOM 0 HA2 GLY A 598 4.191 -10.664 6.873 1.00 41.12 H new ATOM 0 HA3 GLY A 598 4.236 -12.083 5.846 1.00 41.12 H new ATOM 557 N ARG A 599 6.018 -9.922 4.434 1.00 70.32 N ATOM 558 CA ARG A 599 7.357 -9.558 3.985 1.00 73.01 C ATOM 559 C ARG A 599 7.502 -8.043 3.881 1.00 32.00 C ATOM 560 O ARG A 599 7.409 -7.473 2.794 1.00 51.54 O ATOM 561 CB ARG A 599 7.655 -10.203 2.630 1.00 20.34 C ATOM 562 CG ARG A 599 8.094 -11.655 2.731 1.00 34.23 C ATOM 563 CD ARG A 599 8.569 -12.187 1.388 1.00 24.35 C ATOM 564 NE ARG A 599 7.459 -12.646 0.557 1.00 43.44 N ATOM 565 CZ ARG A 599 6.753 -13.742 0.813 1.00 71.32 C ATOM 566 NH1 ARG A 599 7.040 -14.487 1.872 1.00 52.52 N ATOM 567 NH2 ARG A 599 5.757 -14.094 0.011 1.00 55.44 N ATOM 0 H ARG A 599 5.263 -9.534 3.869 1.00 70.32 H new ATOM 0 HA ARG A 599 8.073 -9.925 4.721 1.00 73.01 H new ATOM 0 HB2 ARG A 599 6.764 -10.144 2.005 1.00 20.34 H new ATOM 0 HB3 ARG A 599 8.435 -9.630 2.128 1.00 20.34 H new ATOM 0 HG2 ARG A 599 8.896 -11.744 3.463 1.00 34.23 H new ATOM 0 HG3 ARG A 599 7.264 -12.263 3.092 1.00 34.23 H new ATOM 0 HD2 ARG A 599 9.117 -11.405 0.862 1.00 24.35 H new ATOM 0 HD3 ARG A 599 9.265 -13.010 1.550 1.00 24.35 H new ATOM 0 HE ARG A 599 7.212 -12.095 -0.265 1.00 43.44 H new ATOM 0 HH11 ARG A 599 7.804 -14.219 2.492 1.00 52.52 H new ATOM 0 HH12 ARG A 599 6.496 -15.328 2.066 1.00 52.52 H new ATOM 0 HH21 ARG A 599 5.532 -13.523 -0.804 1.00 55.44 H new ATOM 0 HH22 ARG A 599 5.216 -14.936 0.209 1.00 55.44 H new ATOM 578 N TRP A 600 7.731 -7.397 5.020 1.00 13.43 N ATOM 579 CA TRP A 600 7.889 -5.948 5.056 1.00 51.44 C ATOM 580 C TRP A 600 9.174 -5.521 4.356 1.00 12.33 C ATOM 581 O TRP A 600 9.160 -4.639 3.497 1.00 71.31 O ATOM 582 CB TRP A 600 7.894 -5.452 6.503 1.00 61.23 C ATOM 583 CG TRP A 600 6.763 -5.996 7.322 1.00 1.31 C ATOM 584 CD1 TRP A 600 5.486 -6.237 6.899 1.00 34.43 C ATOM 585 CD2 TRP A 600 6.806 -6.366 8.705 1.00 0.33 C ATOM 586 NE1 TRP A 600 4.733 -6.734 7.935 1.00 20.31 N ATOM 587 CE2 TRP A 600 5.520 -6.824 9.054 1.00 33.34 C ATOM 588 CE3 TRP A 600 7.805 -6.357 9.681 1.00 25.43 C ATOM 589 CZ2 TRP A 600 5.210 -7.266 10.337 1.00 34.24 C ATOM 590 CZ3 TRP A 600 7.497 -6.796 10.954 1.00 23.40 C ATOM 591 CH2 TRP A 600 6.209 -7.247 11.273 1.00 74.12 C ATOM 0 H TRP A 600 7.811 -7.853 5.929 1.00 13.43 H new ATOM 0 HA TRP A 600 7.046 -5.503 4.528 1.00 51.44 H new ATOM 0 HB2 TRP A 600 8.838 -5.730 6.971 1.00 61.23 H new ATOM 0 HB3 TRP A 600 7.844 -4.363 6.506 1.00 61.23 H new ATOM 0 HD1 TRP A 600 5.122 -6.062 5.897 1.00 34.43 H new ATOM 0 HE1 TRP A 600 3.748 -6.994 7.881 1.00 20.31 H new ATOM 0 HE3 TRP A 600 8.801 -6.013 9.445 1.00 25.43 H new ATOM 0 HZ2 TRP A 600 4.217 -7.611 10.585 1.00 34.24 H new ATOM 0 HZ3 TRP A 600 8.262 -6.792 11.717 1.00 23.40 H new ATOM 0 HH2 TRP A 600 6.000 -7.586 12.277 1.00 74.12 H new ATOM 601 N ARG A 601 10.283 -6.154 4.726 1.00 73.11 N ATOM 602 CA ARG A 601 11.577 -5.839 4.133 1.00 51.31 C ATOM 603 C ARG A 601 11.510 -5.914 2.611 1.00 3.45 C ATOM 604 O ARG A 601 11.961 -5.006 1.913 1.00 75.52 O ATOM 605 CB ARG A 601 12.648 -6.797 4.655 1.00 70.14 C ATOM 606 CG ARG A 601 12.781 -6.795 6.169 1.00 32.43 C ATOM 607 CD ARG A 601 13.805 -5.772 6.637 1.00 24.13 C ATOM 608 NE ARG A 601 15.132 -6.033 6.084 1.00 53.23 N ATOM 609 CZ ARG A 601 15.913 -7.027 6.488 1.00 65.00 C ATOM 610 NH1 ARG A 601 15.504 -7.852 7.443 1.00 50.22 N ATOM 611 NH2 ARG A 601 17.108 -7.200 5.937 1.00 12.13 N ATOM 0 H ARG A 601 10.311 -6.888 5.434 1.00 73.11 H new ATOM 0 HA ARG A 601 11.841 -4.821 4.418 1.00 51.31 H new ATOM 0 HB2 ARG A 601 12.414 -7.808 4.321 1.00 70.14 H new ATOM 0 HB3 ARG A 601 13.608 -6.530 4.214 1.00 70.14 H new ATOM 0 HG2 ARG A 601 11.813 -6.575 6.620 1.00 32.43 H new ATOM 0 HG3 ARG A 601 13.074 -7.788 6.511 1.00 32.43 H new ATOM 0 HD2 ARG A 601 13.480 -4.774 6.344 1.00 24.13 H new ATOM 0 HD3 ARG A 601 13.857 -5.783 7.726 1.00 24.13 H new ATOM 0 HE ARG A 601 15.477 -5.418 5.347 1.00 53.23 H new ATOM 0 HH11 ARG A 601 14.586 -7.724 7.869 1.00 50.22 H new ATOM 0 HH12 ARG A 601 16.107 -8.615 7.751 1.00 50.22 H new ATOM 0 HH21 ARG A 601 17.427 -6.569 5.202 1.00 12.13 H new ATOM 0 HH22 ARG A 601 17.707 -7.964 6.248 1.00 12.13 H new ATOM 622 N ASP A 602 10.944 -7.004 2.102 1.00 72.42 N ATOM 623 CA ASP A 602 10.817 -7.198 0.663 1.00 11.21 C ATOM 624 C ASP A 602 9.957 -6.103 0.040 1.00 33.01 C ATOM 625 O ASP A 602 10.242 -5.625 -1.059 1.00 34.21 O ATOM 626 CB ASP A 602 10.212 -8.571 0.363 1.00 31.43 C ATOM 627 CG ASP A 602 10.892 -9.684 1.136 1.00 42.43 C ATOM 628 OD1 ASP A 602 10.725 -9.735 2.373 1.00 41.11 O ATOM 629 OD2 ASP A 602 11.589 -10.504 0.504 1.00 41.33 O ATOM 0 H ASP A 602 10.566 -7.766 2.665 1.00 72.42 H new ATOM 0 HA ASP A 602 11.814 -7.145 0.225 1.00 11.21 H new ATOM 0 HB2 ASP A 602 9.150 -8.558 0.608 1.00 31.43 H new ATOM 0 HB3 ASP A 602 10.290 -8.774 -0.705 1.00 31.43 H new ATOM 633 N VAL A 603 8.904 -5.710 0.748 1.00 51.42 N ATOM 634 CA VAL A 603 8.002 -4.671 0.265 1.00 41.04 C ATOM 635 C VAL A 603 8.705 -3.320 0.199 1.00 3.44 C ATOM 636 O VAL A 603 8.396 -2.488 -0.654 1.00 72.11 O ATOM 637 CB VAL A 603 6.757 -4.545 1.164 1.00 23.02 C ATOM 638 CG1 VAL A 603 5.983 -3.280 0.830 1.00 53.14 C ATOM 639 CG2 VAL A 603 5.872 -5.775 1.021 1.00 43.05 C ATOM 0 H VAL A 603 8.654 -6.095 1.659 1.00 51.42 H new ATOM 0 HA VAL A 603 7.690 -4.965 -0.737 1.00 41.04 H new ATOM 0 HB VAL A 603 7.084 -4.478 2.202 1.00 23.02 H new ATOM 0 HG11 VAL A 603 5.107 -3.208 1.475 1.00 53.14 H new ATOM 0 HG12 VAL A 603 6.622 -2.411 0.987 1.00 53.14 H new ATOM 0 HG13 VAL A 603 5.664 -3.313 -0.212 1.00 53.14 H new ATOM 0 HG21 VAL A 603 4.997 -5.670 1.662 1.00 43.05 H new ATOM 0 HG22 VAL A 603 5.552 -5.874 -0.016 1.00 43.05 H new ATOM 0 HG23 VAL A 603 6.433 -6.663 1.314 1.00 43.05 H new ATOM 649 N LYS A 604 9.655 -3.109 1.104 1.00 11.42 N ATOM 650 CA LYS A 604 10.405 -1.859 1.149 1.00 24.23 C ATOM 651 C LYS A 604 11.243 -1.683 -0.114 1.00 62.45 C ATOM 652 O LYS A 604 11.243 -0.615 -0.725 1.00 61.23 O ATOM 653 CB LYS A 604 11.310 -1.828 2.383 1.00 12.44 C ATOM 654 CG LYS A 604 11.724 -0.426 2.797 1.00 1.22 C ATOM 655 CD LYS A 604 10.597 0.300 3.512 1.00 10.44 C ATOM 656 CE LYS A 604 10.915 1.776 3.697 1.00 10.32 C ATOM 657 NZ LYS A 604 9.918 2.453 4.572 1.00 11.14 N ATOM 0 H LYS A 604 9.924 -3.788 1.816 1.00 11.42 H new ATOM 0 HA LYS A 604 9.692 -1.037 1.209 1.00 24.23 H new ATOM 0 HB2 LYS A 604 10.793 -2.306 3.215 1.00 12.44 H new ATOM 0 HB3 LYS A 604 12.204 -2.418 2.183 1.00 12.44 H new ATOM 0 HG2 LYS A 604 12.595 -0.481 3.450 1.00 1.22 H new ATOM 0 HG3 LYS A 604 12.022 0.142 1.915 1.00 1.22 H new ATOM 0 HD2 LYS A 604 9.674 0.194 2.941 1.00 10.44 H new ATOM 0 HD3 LYS A 604 10.425 -0.161 4.485 1.00 10.44 H new ATOM 0 HE2 LYS A 604 11.910 1.882 4.130 1.00 10.32 H new ATOM 0 HE3 LYS A 604 10.937 2.267 2.724 1.00 10.32 H new ATOM 0 HZ1 LYS A 604 10.170 3.457 4.673 1.00 11.14 H new ATOM 0 HZ2 LYS A 604 8.972 2.375 4.146 1.00 11.14 H new ATOM 0 HZ3 LYS A 604 9.914 2.001 5.509 1.00 11.14 H new ATOM 667 N MET A 605 11.954 -2.737 -0.499 1.00 62.33 N ATOM 668 CA MET A 605 12.794 -2.699 -1.690 1.00 33.12 C ATOM 669 C MET A 605 11.943 -2.718 -2.956 1.00 31.13 C ATOM 670 O MET A 605 12.321 -2.144 -3.977 1.00 11.43 O ATOM 671 CB MET A 605 13.764 -3.881 -1.695 1.00 70.51 C ATOM 672 CG MET A 605 13.072 -5.235 -1.685 1.00 74.43 C ATOM 673 SD MET A 605 14.224 -6.605 -1.899 1.00 14.55 S ATOM 674 CE MET A 605 13.971 -6.992 -3.629 1.00 3.54 C ATOM 0 H MET A 605 11.965 -3.628 -0.003 1.00 62.33 H new ATOM 0 HA MET A 605 13.365 -1.771 -1.671 1.00 33.12 H new ATOM 0 HB2 MET A 605 14.401 -3.814 -2.577 1.00 70.51 H new ATOM 0 HB3 MET A 605 14.416 -3.809 -0.825 1.00 70.51 H new ATOM 0 HG2 MET A 605 12.537 -5.359 -0.743 1.00 74.43 H new ATOM 0 HG3 MET A 605 12.327 -5.264 -2.480 1.00 74.43 H new ATOM 0 HE1 MET A 605 14.616 -7.823 -3.914 1.00 3.54 H new ATOM 0 HE2 MET A 605 12.929 -7.269 -3.791 1.00 3.54 H new ATOM 0 HE3 MET A 605 14.213 -6.120 -4.236 1.00 3.54 H new ATOM 682 N ARG A 606 10.794 -3.381 -2.882 1.00 63.42 N ATOM 683 CA ARG A 606 9.891 -3.476 -4.022 1.00 23.13 C ATOM 684 C ARG A 606 9.173 -2.151 -4.259 1.00 20.22 C ATOM 685 O ARG A 606 9.000 -1.723 -5.399 1.00 23.42 O ATOM 686 CB ARG A 606 8.867 -4.590 -3.797 1.00 62.30 C ATOM 687 CG ARG A 606 7.723 -4.577 -4.798 1.00 64.31 C ATOM 688 CD ARG A 606 8.179 -5.047 -6.171 1.00 45.01 C ATOM 689 NE ARG A 606 8.978 -4.038 -6.859 1.00 53.24 N ATOM 690 CZ ARG A 606 9.777 -4.306 -7.884 1.00 63.42 C ATOM 691 NH1 ARG A 606 9.884 -5.547 -8.338 1.00 30.33 N ATOM 692 NH2 ARG A 606 10.473 -3.333 -8.458 1.00 54.54 N ATOM 0 H ARG A 606 10.466 -3.861 -2.044 1.00 63.42 H new ATOM 0 HA ARG A 606 10.485 -3.711 -4.905 1.00 23.13 H new ATOM 0 HB2 ARG A 606 9.374 -5.554 -3.850 1.00 62.30 H new ATOM 0 HB3 ARG A 606 8.459 -4.499 -2.790 1.00 62.30 H new ATOM 0 HG2 ARG A 606 6.918 -5.220 -4.441 1.00 64.31 H new ATOM 0 HG3 ARG A 606 7.316 -3.569 -4.874 1.00 64.31 H new ATOM 0 HD2 ARG A 606 8.763 -5.961 -6.065 1.00 45.01 H new ATOM 0 HD3 ARG A 606 7.307 -5.294 -6.777 1.00 45.01 H new ATOM 0 HE ARG A 606 8.919 -3.073 -6.534 1.00 53.24 H new ATOM 0 HH11 ARG A 606 9.351 -6.298 -7.899 1.00 30.33 H new ATOM 0 HH12 ARG A 606 10.499 -5.751 -9.126 1.00 30.33 H new ATOM 0 HH21 ARG A 606 10.394 -2.377 -8.111 1.00 54.54 H new ATOM 0 HH22 ARG A 606 11.087 -3.541 -9.246 1.00 54.54 H new ATOM 703 N ALA A 607 8.757 -1.508 -3.173 1.00 75.41 N ATOM 704 CA ALA A 607 8.060 -0.230 -3.263 1.00 44.44 C ATOM 705 C ALA A 607 9.041 0.936 -3.225 1.00 45.12 C ATOM 706 O ALA A 607 9.251 1.616 -4.229 1.00 54.30 O ATOM 707 CB ALA A 607 7.044 -0.104 -2.137 1.00 41.21 C ATOM 0 H ALA A 607 8.890 -1.850 -2.221 1.00 75.41 H new ATOM 0 HA ALA A 607 7.536 -0.197 -4.218 1.00 44.44 H new ATOM 0 HB1 ALA A 607 6.531 0.854 -2.216 1.00 41.21 H new ATOM 0 HB2 ALA A 607 6.317 -0.912 -2.211 1.00 41.21 H new ATOM 0 HB3 ALA A 607 7.556 -0.164 -1.177 1.00 41.21 H new ATOM 713 N PHE A 608 9.641 1.160 -2.060 1.00 55.33 N ATOM 714 CA PHE A 608 10.600 2.247 -1.891 1.00 2.34 C ATOM 715 C PHE A 608 11.902 1.940 -2.626 1.00 65.51 C ATOM 716 O PHE A 608 12.518 0.896 -2.410 1.00 62.41 O ATOM 717 CB PHE A 608 10.881 2.480 -0.407 1.00 63.23 C ATOM 718 CG PHE A 608 9.747 3.144 0.321 1.00 73.10 C ATOM 719 CD1 PHE A 608 8.602 2.433 0.644 1.00 61.31 C ATOM 720 CD2 PHE A 608 9.825 4.480 0.682 1.00 0.34 C ATOM 721 CE1 PHE A 608 7.557 3.041 1.314 1.00 63.30 C ATOM 722 CE2 PHE A 608 8.783 5.093 1.352 1.00 33.14 C ATOM 723 CZ PHE A 608 7.647 4.373 1.667 1.00 70.42 C ATOM 0 H PHE A 608 9.481 0.604 -1.220 1.00 55.33 H new ATOM 0 HA PHE A 608 10.167 3.152 -2.317 1.00 2.34 H new ATOM 0 HB2 PHE A 608 11.097 1.523 0.068 1.00 63.23 H new ATOM 0 HB3 PHE A 608 11.776 3.094 -0.307 1.00 63.23 H new ATOM 0 HD1 PHE A 608 8.525 1.391 0.369 1.00 61.31 H new ATOM 0 HD2 PHE A 608 10.710 5.048 0.437 1.00 0.34 H new ATOM 0 HE1 PHE A 608 6.671 2.475 1.561 1.00 63.30 H new ATOM 0 HE2 PHE A 608 8.857 6.134 1.629 1.00 33.14 H new ATOM 0 HZ PHE A 608 6.831 4.851 2.188 1.00 70.42 H new ATOM 828 N TYR A 616 11.177 -0.588 8.151 1.00 23.32 N ATOM 829 CA TYR A 616 10.125 -1.308 7.444 1.00 20.23 C ATOM 830 C TYR A 616 8.762 -1.039 8.075 1.00 10.21 C ATOM 831 O TYR A 616 7.733 -1.080 7.400 1.00 32.14 O ATOM 832 CB TYR A 616 10.414 -2.811 7.449 1.00 71.53 C ATOM 833 CG TYR A 616 10.761 -3.356 8.816 1.00 52.41 C ATOM 834 CD1 TYR A 616 9.769 -3.613 9.755 1.00 34.01 C ATOM 835 CD2 TYR A 616 12.079 -3.615 9.168 1.00 23.41 C ATOM 836 CE1 TYR A 616 10.081 -4.111 11.005 1.00 70.52 C ATOM 837 CE2 TYR A 616 12.401 -4.115 10.416 1.00 52.54 C ATOM 838 CZ TYR A 616 11.398 -4.359 11.331 1.00 23.04 C ATOM 839 OH TYR A 616 11.713 -4.857 12.576 1.00 15.42 O ATOM 0 HA TYR A 616 10.105 -0.952 6.414 1.00 20.23 H new ATOM 0 HB2 TYR A 616 9.542 -3.341 7.066 1.00 71.53 H new ATOM 0 HB3 TYR A 616 11.238 -3.016 6.765 1.00 71.53 H new ATOM 0 HD1 TYR A 616 8.737 -3.420 9.503 1.00 34.01 H new ATOM 0 HD2 TYR A 616 12.866 -3.422 8.454 1.00 23.41 H new ATOM 0 HE1 TYR A 616 9.298 -4.305 11.723 1.00 70.52 H new ATOM 0 HE2 TYR A 616 13.431 -4.313 10.673 1.00 52.54 H new ATOM 0 HH TYR A 616 12.683 -4.977 12.645 1.00 15.42 H new ATOM 848 N VAL A 617 8.764 -0.762 9.375 1.00 52.53 N ATOM 849 CA VAL A 617 7.529 -0.483 10.098 1.00 41.24 C ATOM 850 C VAL A 617 6.708 0.591 9.392 1.00 62.43 C ATOM 851 O VAL A 617 5.478 0.565 9.420 1.00 72.24 O ATOM 852 CB VAL A 617 7.815 -0.030 11.542 1.00 54.14 C ATOM 853 CG1 VAL A 617 8.632 1.254 11.547 1.00 14.51 C ATOM 854 CG2 VAL A 617 6.514 0.155 12.309 1.00 64.13 C ATOM 0 H VAL A 617 9.607 -0.725 9.949 1.00 52.53 H new ATOM 0 HA VAL A 617 6.960 -1.412 10.122 1.00 41.24 H new ATOM 0 HB VAL A 617 8.397 -0.806 12.039 1.00 54.14 H new ATOM 0 HG11 VAL A 617 8.824 1.559 12.576 1.00 14.51 H new ATOM 0 HG12 VAL A 617 9.580 1.084 11.036 1.00 14.51 H new ATOM 0 HG13 VAL A 617 8.078 2.040 11.033 1.00 14.51 H new ATOM 0 HG21 VAL A 617 6.734 0.475 13.327 1.00 64.13 H new ATOM 0 HG22 VAL A 617 5.905 0.912 11.815 1.00 64.13 H new ATOM 0 HG23 VAL A 617 5.970 -0.789 12.335 1.00 64.13 H new ATOM 864 N ASP A 618 7.398 1.533 8.759 1.00 72.35 N ATOM 865 CA ASP A 618 6.733 2.617 8.043 1.00 25.31 C ATOM 866 C ASP A 618 5.754 2.066 7.013 1.00 2.50 C ATOM 867 O ASP A 618 4.591 2.471 6.966 1.00 61.22 O ATOM 868 CB ASP A 618 7.766 3.512 7.357 1.00 3.24 C ATOM 869 CG ASP A 618 7.853 4.886 7.990 1.00 12.13 C ATOM 870 OD1 ASP A 618 8.590 5.034 8.987 1.00 20.53 O ATOM 871 OD2 ASP A 618 7.186 5.814 7.487 1.00 42.25 O ATOM 0 H ASP A 618 8.417 1.569 8.727 1.00 72.35 H new ATOM 0 HA ASP A 618 6.174 3.210 8.767 1.00 25.31 H new ATOM 0 HB2 ASP A 618 8.744 3.033 7.401 1.00 3.24 H new ATOM 0 HB3 ASP A 618 7.509 3.616 6.303 1.00 3.24 H new ATOM 875 N LEU A 619 6.230 1.141 6.187 1.00 4.34 N ATOM 876 CA LEU A 619 5.396 0.534 5.154 1.00 15.01 C ATOM 877 C LEU A 619 4.328 -0.362 5.773 1.00 72.34 C ATOM 878 O LEU A 619 3.269 -0.581 5.186 1.00 54.33 O ATOM 879 CB LEU A 619 6.258 -0.276 4.185 1.00 65.13 C ATOM 880 CG LEU A 619 6.550 -1.721 4.594 1.00 20.43 C ATOM 881 CD1 LEU A 619 5.559 -2.671 3.942 1.00 3.51 C ATOM 882 CD2 LEU A 619 7.977 -2.101 4.226 1.00 14.25 C ATOM 0 H LEU A 619 7.189 0.794 6.212 1.00 4.34 H new ATOM 0 HA LEU A 619 4.899 1.335 4.606 1.00 15.01 H new ATOM 0 HB2 LEU A 619 5.764 -0.287 3.213 1.00 65.13 H new ATOM 0 HB3 LEU A 619 7.208 0.243 4.054 1.00 65.13 H new ATOM 0 HG LEU A 619 6.441 -1.801 5.676 1.00 20.43 H new ATOM 0 HD11 LEU A 619 5.783 -3.694 4.245 1.00 3.51 H new ATOM 0 HD12 LEU A 619 4.547 -2.413 4.255 1.00 3.51 H new ATOM 0 HD13 LEU A 619 5.635 -2.589 2.858 1.00 3.51 H new ATOM 0 HD21 LEU A 619 8.167 -3.132 4.524 1.00 14.25 H new ATOM 0 HD22 LEU A 619 8.113 -2.004 3.149 1.00 14.25 H new ATOM 0 HD23 LEU A 619 8.674 -1.440 4.741 1.00 14.25 H new ATOM 893 N LYS A 620 4.613 -0.876 6.966 1.00 2.15 N ATOM 894 CA LYS A 620 3.677 -1.746 7.667 1.00 51.45 C ATOM 895 C LYS A 620 2.459 -0.960 8.145 1.00 4.52 C ATOM 896 O LYS A 620 1.323 -1.420 8.017 1.00 22.24 O ATOM 897 CB LYS A 620 4.365 -2.414 8.860 1.00 73.52 C ATOM 898 CG LYS A 620 3.820 -3.794 9.181 1.00 22.12 C ATOM 899 CD LYS A 620 2.667 -3.724 10.168 1.00 21.35 C ATOM 900 CE LYS A 620 3.163 -3.734 11.605 1.00 62.21 C ATOM 901 NZ LYS A 620 2.045 -3.898 12.576 1.00 62.53 N ATOM 0 H LYS A 620 5.485 -0.704 7.467 1.00 2.15 H new ATOM 0 HA LYS A 620 3.343 -2.515 6.971 1.00 51.45 H new ATOM 0 HB2 LYS A 620 5.433 -2.493 8.656 1.00 73.52 H new ATOM 0 HB3 LYS A 620 4.254 -1.776 9.737 1.00 73.52 H new ATOM 0 HG2 LYS A 620 3.485 -4.276 8.263 1.00 22.12 H new ATOM 0 HG3 LYS A 620 4.616 -4.413 9.594 1.00 22.12 H new ATOM 0 HD2 LYS A 620 2.087 -2.819 9.988 1.00 21.35 H new ATOM 0 HD3 LYS A 620 1.997 -4.569 10.007 1.00 21.35 H new ATOM 0 HE2 LYS A 620 3.880 -4.544 11.736 1.00 62.21 H new ATOM 0 HE3 LYS A 620 3.692 -2.804 11.813 1.00 62.21 H new ATOM 0 HZ1 LYS A 620 2.424 -3.900 13.545 1.00 62.53 H new ATOM 0 HZ2 LYS A 620 1.374 -3.111 12.468 1.00 62.53 H new ATOM 0 HZ3 LYS A 620 1.556 -4.798 12.394 1.00 62.53 H new ATOM 911 N ASP A 621 2.701 0.224 8.693 1.00 35.33 N ATOM 912 CA ASP A 621 1.624 1.074 9.186 1.00 71.50 C ATOM 913 C ASP A 621 0.826 1.666 8.030 1.00 53.52 C ATOM 914 O ASP A 621 -0.370 1.930 8.157 1.00 62.43 O ATOM 915 CB ASP A 621 2.190 2.196 10.059 1.00 34.02 C ATOM 916 CG ASP A 621 1.146 2.794 10.981 1.00 33.51 C ATOM 917 OD1 ASP A 621 -0.027 2.372 10.903 1.00 74.53 O ATOM 918 OD2 ASP A 621 1.502 3.685 11.781 1.00 44.13 O ATOM 0 H ASP A 621 3.635 0.618 8.808 1.00 35.33 H new ATOM 0 HA ASP A 621 0.955 0.458 9.787 1.00 71.50 H new ATOM 0 HB2 ASP A 621 3.017 1.808 10.654 1.00 34.02 H new ATOM 0 HB3 ASP A 621 2.598 2.979 9.420 1.00 34.02 H new ATOM 922 N LYS A 622 1.495 1.873 6.901 1.00 13.50 N ATOM 923 CA LYS A 622 0.849 2.434 5.719 1.00 5.31 C ATOM 924 C LYS A 622 -0.219 1.486 5.183 1.00 55.45 C ATOM 925 O LYS A 622 -1.328 1.909 4.853 1.00 40.25 O ATOM 926 CB LYS A 622 1.887 2.718 4.631 1.00 50.34 C ATOM 927 CG LYS A 622 1.291 3.298 3.359 1.00 63.41 C ATOM 928 CD LYS A 622 0.708 4.681 3.598 1.00 2.41 C ATOM 929 CE LYS A 622 -0.628 4.851 2.890 1.00 21.14 C ATOM 930 NZ LYS A 622 -1.607 5.600 3.725 1.00 72.34 N ATOM 0 H LYS A 622 2.485 1.661 6.779 1.00 13.50 H new ATOM 0 HA LYS A 622 0.369 3.369 6.007 1.00 5.31 H new ATOM 0 HB2 LYS A 622 2.631 3.411 5.023 1.00 50.34 H new ATOM 0 HB3 LYS A 622 2.410 1.793 4.389 1.00 50.34 H new ATOM 0 HG2 LYS A 622 2.060 3.354 2.588 1.00 63.41 H new ATOM 0 HG3 LYS A 622 0.512 2.633 2.985 1.00 63.41 H new ATOM 0 HD2 LYS A 622 0.577 4.842 4.668 1.00 2.41 H new ATOM 0 HD3 LYS A 622 1.408 5.438 3.244 1.00 2.41 H new ATOM 0 HE2 LYS A 622 -0.475 5.378 1.948 1.00 21.14 H new ATOM 0 HE3 LYS A 622 -1.036 3.871 2.644 1.00 21.14 H new ATOM 0 HZ1 LYS A 622 -2.572 5.398 3.394 1.00 72.34 H new ATOM 0 HZ2 LYS A 622 -1.513 5.306 4.718 1.00 72.34 H new ATOM 0 HZ3 LYS A 622 -1.421 6.620 3.647 1.00 72.34 H new ATOM 940 N TRP A 623 0.121 0.205 5.098 1.00 54.15 N ATOM 941 CA TRP A 623 -0.811 -0.801 4.602 1.00 24.04 C ATOM 942 C TRP A 623 -1.981 -0.982 5.564 1.00 33.42 C ATOM 943 O TRP A 623 -3.140 -1.008 5.150 1.00 32.45 O ATOM 944 CB TRP A 623 -0.091 -2.135 4.399 1.00 41.10 C ATOM 945 CG TRP A 623 -0.929 -3.323 4.764 1.00 24.23 C ATOM 946 CD1 TRP A 623 -2.095 -3.717 4.171 1.00 30.44 C ATOM 947 CD2 TRP A 623 -0.666 -4.271 5.804 1.00 22.21 C ATOM 948 NE1 TRP A 623 -2.572 -4.852 4.782 1.00 1.13 N ATOM 949 CE2 TRP A 623 -1.713 -5.213 5.785 1.00 72.43 C ATOM 950 CE3 TRP A 623 0.354 -4.417 6.749 1.00 61.11 C ATOM 951 CZ2 TRP A 623 -1.768 -6.281 6.676 1.00 3.30 C ATOM 952 CZ3 TRP A 623 0.297 -5.479 7.632 1.00 34.53 C ATOM 953 CH2 TRP A 623 -0.757 -6.400 7.591 1.00 13.55 C ATOM 0 H TRP A 623 1.034 -0.161 5.366 1.00 54.15 H new ATOM 0 HA TRP A 623 -1.203 -0.457 3.645 1.00 24.04 H new ATOM 0 HB2 TRP A 623 0.213 -2.221 3.356 1.00 41.10 H new ATOM 0 HB3 TRP A 623 0.819 -2.143 4.998 1.00 41.10 H new ATOM 0 HD1 TRP A 623 -2.572 -3.211 3.344 1.00 30.44 H new ATOM 0 HE1 TRP A 623 -3.428 -5.346 4.529 1.00 1.13 H new ATOM 0 HE3 TRP A 623 1.172 -3.713 6.788 1.00 61.11 H new ATOM 0 HZ2 TRP A 623 -2.581 -6.992 6.646 1.00 3.30 H new ATOM 0 HZ3 TRP A 623 1.079 -5.601 8.367 1.00 34.53 H new ATOM 0 HH2 TRP A 623 -0.772 -7.219 8.294 1.00 13.55 H new ATOM 963 N LYS A 624 -1.670 -1.106 6.850 1.00 73.22 N ATOM 964 CA LYS A 624 -2.695 -1.283 7.872 1.00 34.53 C ATOM 965 C LYS A 624 -3.783 -0.222 7.740 1.00 72.40 C ATOM 966 O LYS A 624 -4.973 -0.537 7.719 1.00 12.11 O ATOM 967 CB LYS A 624 -2.069 -1.216 9.267 1.00 4.40 C ATOM 968 CG LYS A 624 -2.898 -1.904 10.338 1.00 25.14 C ATOM 969 CD LYS A 624 -2.857 -1.140 11.651 1.00 23.23 C ATOM 970 CE LYS A 624 -3.768 -1.773 12.693 1.00 11.53 C ATOM 971 NZ LYS A 624 -3.895 -0.923 13.908 1.00 34.21 N ATOM 0 H LYS A 624 -0.716 -1.087 7.209 1.00 73.22 H new ATOM 0 HA LYS A 624 -3.149 -2.264 7.731 1.00 34.53 H new ATOM 0 HB2 LYS A 624 -1.080 -1.673 9.235 1.00 4.40 H new ATOM 0 HB3 LYS A 624 -1.928 -0.171 9.543 1.00 4.40 H new ATOM 0 HG2 LYS A 624 -3.930 -1.992 10.000 1.00 25.14 H new ATOM 0 HG3 LYS A 624 -2.526 -2.917 10.493 1.00 25.14 H new ATOM 0 HD2 LYS A 624 -1.834 -1.115 12.027 1.00 23.23 H new ATOM 0 HD3 LYS A 624 -3.159 -0.107 11.481 1.00 23.23 H new ATOM 0 HE2 LYS A 624 -4.755 -1.938 12.260 1.00 11.53 H new ATOM 0 HE3 LYS A 624 -3.375 -2.750 12.973 1.00 11.53 H new ATOM 0 HZ1 LYS A 624 -4.523 -1.389 14.593 1.00 34.21 H new ATOM 0 HZ2 LYS A 624 -2.957 -0.786 14.336 1.00 34.21 H new ATOM 0 HZ3 LYS A 624 -4.294 0.001 13.645 1.00 34.21 H new ATOM 981 N THR A 625 -3.367 1.038 7.650 1.00 40.33 N ATOM 982 CA THR A 625 -4.306 2.145 7.520 1.00 10.11 C ATOM 983 C THR A 625 -4.956 2.155 6.141 1.00 43.42 C ATOM 984 O THR A 625 -6.086 2.617 5.979 1.00 51.42 O ATOM 985 CB THR A 625 -3.614 3.500 7.758 1.00 44.34 C ATOM 986 OG1 THR A 625 -4.587 4.551 7.776 1.00 31.21 O ATOM 987 CG2 THR A 625 -2.581 3.777 6.677 1.00 61.42 C ATOM 0 H THR A 625 -2.386 1.317 7.665 1.00 40.33 H new ATOM 0 HA THR A 625 -5.074 1.999 8.280 1.00 10.11 H new ATOM 0 HB THR A 625 -3.106 3.459 8.722 1.00 44.34 H new ATOM 0 HG1 THR A 625 -4.139 5.409 7.929 1.00 31.21 H new ATOM 0 HG21 THR A 625 -2.105 4.739 6.866 1.00 61.42 H new ATOM 0 HG22 THR A 625 -1.826 2.991 6.686 1.00 61.42 H new ATOM 0 HG23 THR A 625 -3.070 3.799 5.703 1.00 61.42 H new ATOM 995 N LEU A 626 -4.236 1.643 5.148 1.00 71.44 N ATOM 996 CA LEU A 626 -4.743 1.592 3.782 1.00 51.40 C ATOM 997 C LEU A 626 -6.013 0.750 3.703 1.00 51.11 C ATOM 998 O LEU A 626 -7.053 1.219 3.242 1.00 11.32 O ATOM 999 CB LEU A 626 -3.680 1.020 2.843 1.00 40.04 C ATOM 1000 CG LEU A 626 -3.360 1.855 1.602 1.00 40.13 C ATOM 1001 CD1 LEU A 626 -2.386 1.116 0.699 1.00 75.22 C ATOM 1002 CD2 LEU A 626 -4.637 2.197 0.847 1.00 34.35 C ATOM 0 H LEU A 626 -3.299 1.257 5.264 1.00 71.44 H new ATOM 0 HA LEU A 626 -4.983 2.609 3.472 1.00 51.40 H new ATOM 0 HB2 LEU A 626 -2.760 0.882 3.410 1.00 40.04 H new ATOM 0 HB3 LEU A 626 -4.005 0.032 2.517 1.00 40.04 H new ATOM 0 HG LEU A 626 -2.891 2.785 1.923 1.00 40.13 H new ATOM 0 HD11 LEU A 626 -2.170 1.725 -0.179 1.00 75.22 H new ATOM 0 HD12 LEU A 626 -1.461 0.922 1.243 1.00 75.22 H new ATOM 0 HD13 LEU A 626 -2.827 0.170 0.385 1.00 75.22 H new ATOM 0 HD21 LEU A 626 -4.391 2.791 -0.033 1.00 34.35 H new ATOM 0 HD22 LEU A 626 -5.134 1.278 0.537 1.00 34.35 H new ATOM 0 HD23 LEU A 626 -5.302 2.767 1.496 1.00 34.35 H new ATOM 1013 N VAL A 627 -5.921 -0.495 4.160 1.00 12.22 N ATOM 1014 CA VAL A 627 -7.063 -1.401 4.143 1.00 61.14 C ATOM 1015 C VAL A 627 -8.204 -0.862 5.001 1.00 24.05 C ATOM 1016 O VAL A 627 -9.370 -0.929 4.612 1.00 50.02 O ATOM 1017 CB VAL A 627 -6.673 -2.804 4.649 1.00 54.13 C ATOM 1018 CG1 VAL A 627 -6.014 -2.714 6.016 1.00 63.14 C ATOM 1019 CG2 VAL A 627 -7.894 -3.710 4.693 1.00 63.13 C ATOM 0 H VAL A 627 -5.068 -0.899 4.546 1.00 12.22 H new ATOM 0 HA VAL A 627 -7.394 -1.475 3.107 1.00 61.14 H new ATOM 0 HB VAL A 627 -5.953 -3.237 3.955 1.00 54.13 H new ATOM 0 HG11 VAL A 627 -5.746 -3.714 6.357 1.00 63.14 H new ATOM 0 HG12 VAL A 627 -5.116 -2.101 5.947 1.00 63.14 H new ATOM 0 HG13 VAL A 627 -6.708 -2.263 6.725 1.00 63.14 H new ATOM 0 HG21 VAL A 627 -7.602 -4.697 5.052 1.00 63.13 H new ATOM 0 HG22 VAL A 627 -8.639 -3.285 5.366 1.00 63.13 H new ATOM 0 HG23 VAL A 627 -8.317 -3.799 3.693 1.00 63.13 H new ATOM 1029 N HIS A 628 -7.858 -0.329 6.168 1.00 71.02 N ATOM 1030 CA HIS A 628 -8.854 0.223 7.080 1.00 63.53 C ATOM 1031 C HIS A 628 -9.587 1.397 6.439 1.00 3.34 C ATOM 1032 O HIS A 628 -10.734 1.688 6.781 1.00 10.23 O ATOM 1033 CB HIS A 628 -8.190 0.671 8.382 1.00 60.44 C ATOM 1034 CG HIS A 628 -7.706 -0.464 9.231 1.00 41.25 C ATOM 1035 ND1 HIS A 628 -8.142 -1.762 9.069 1.00 45.54 N ATOM 1036 CD2 HIS A 628 -6.819 -0.491 10.253 1.00 2.44 C ATOM 1037 CE1 HIS A 628 -7.545 -2.539 9.956 1.00 11.11 C ATOM 1038 NE2 HIS A 628 -6.736 -1.792 10.686 1.00 21.42 N ATOM 0 H HIS A 628 -6.897 -0.267 6.505 1.00 71.02 H new ATOM 0 HA HIS A 628 -9.581 -0.559 7.301 1.00 63.53 H new ATOM 0 HB2 HIS A 628 -7.348 1.321 8.145 1.00 60.44 H new ATOM 0 HB3 HIS A 628 -8.900 1.266 8.956 1.00 60.44 H new ATOM 0 HD1 HIS A 628 -8.820 -2.074 8.373 1.00 45.54 H new ATOM 0 HD2 HIS A 628 -6.277 0.353 10.653 1.00 2.44 H new ATOM 0 HE1 HIS A 628 -7.693 -3.603 10.065 1.00 11.11 H new ATOM 1045 N THR A 629 -8.919 2.068 5.507 1.00 2.20 N ATOM 1046 CA THR A 629 -9.506 3.211 4.819 1.00 14.41 C ATOM 1047 C THR A 629 -10.458 2.760 3.717 1.00 2.02 C ATOM 1048 O THR A 629 -11.415 3.459 3.387 1.00 13.42 O ATOM 1049 CB THR A 629 -8.421 4.115 4.205 1.00 35.32 C ATOM 1050 OG1 THR A 629 -8.676 5.484 4.541 1.00 22.22 O ATOM 1051 CG2 THR A 629 -8.378 3.959 2.692 1.00 34.21 C ATOM 0 H THR A 629 -7.970 1.840 5.211 1.00 2.20 H new ATOM 0 HA THR A 629 -10.061 3.778 5.566 1.00 14.41 H new ATOM 0 HB THR A 629 -7.456 3.814 4.613 1.00 35.32 H new ATOM 0 HG1 THR A 629 -7.981 6.052 4.148 1.00 22.22 H new ATOM 0 HG21 THR A 629 -7.604 4.607 2.281 1.00 34.21 H new ATOM 0 HG22 THR A 629 -8.155 2.922 2.439 1.00 34.21 H new ATOM 0 HG23 THR A 629 -9.344 4.235 2.270 1.00 34.21 H new ATOM 1059 N ALA A 630 -10.190 1.587 3.154 1.00 11.21 N ATOM 1060 CA ALA A 630 -11.026 1.041 2.091 1.00 51.00 C ATOM 1061 C ALA A 630 -12.493 1.013 2.505 1.00 73.11 C ATOM 1062 O ALA A 630 -13.366 1.458 1.761 1.00 14.43 O ATOM 1063 CB ALA A 630 -10.555 -0.356 1.715 1.00 11.01 C ATOM 0 H ALA A 630 -9.401 0.996 3.416 1.00 11.21 H new ATOM 0 HA ALA A 630 -10.934 1.691 1.221 1.00 51.00 H new ATOM 0 HB1 ALA A 630 -11.188 -0.752 0.921 1.00 11.01 H new ATOM 0 HB2 ALA A 630 -9.523 -0.311 1.368 1.00 11.01 H new ATOM 0 HB3 ALA A 630 -10.617 -1.008 2.587 1.00 11.01 H new ATOM 1069 N SER A 631 -12.757 0.489 3.698 1.00 21.32 N ATOM 1070 CA SER A 631 -14.119 0.400 4.209 1.00 12.42 C ATOM 1071 C SER A 631 -14.149 -0.322 5.554 1.00 13.34 C ATOM 1072 O SER A 631 -14.699 -1.417 5.669 1.00 45.14 O ATOM 1073 CB SER A 631 -15.016 -0.329 3.206 1.00 74.11 C ATOM 1074 OG SER A 631 -16.262 -0.669 3.790 1.00 32.22 O ATOM 0 H SER A 631 -12.045 0.120 4.328 1.00 21.32 H new ATOM 0 HA SER A 631 -14.494 1.413 4.352 1.00 12.42 H new ATOM 0 HB2 SER A 631 -15.180 0.303 2.333 1.00 74.11 H new ATOM 0 HB3 SER A 631 -14.516 -1.232 2.856 1.00 74.11 H new ATOM 0 HG SER A 631 -16.118 -1.304 4.522 1.00 32.22 H new ATOM 1079 N ILE A 632 -13.552 0.300 6.564 1.00 42.32 N ATOM 1080 CA ILE A 632 -13.512 -0.282 7.901 1.00 32.44 C ATOM 1081 C ILE A 632 -13.847 0.759 8.963 1.00 43.00 C ATOM 1082 O ILE A 632 -14.927 0.734 9.553 1.00 10.34 O ATOM 1083 CB ILE A 632 -12.129 -0.887 8.209 1.00 13.30 C ATOM 1084 CG1 ILE A 632 -11.936 -2.192 7.434 1.00 23.34 C ATOM 1085 CG2 ILE A 632 -11.976 -1.123 9.703 1.00 25.51 C ATOM 1086 CD1 ILE A 632 -11.631 -1.985 5.967 1.00 73.23 C ATOM 0 H ILE A 632 -13.090 1.206 6.483 1.00 42.32 H new ATOM 0 HA ILE A 632 -14.260 -1.074 7.924 1.00 32.44 H new ATOM 0 HB ILE A 632 -11.360 -0.182 7.892 1.00 13.30 H new ATOM 0 HG12 ILE A 632 -11.124 -2.758 7.889 1.00 23.34 H new ATOM 0 HG13 ILE A 632 -12.838 -2.797 7.527 1.00 23.34 H new ATOM 0 HG21 ILE A 632 -10.994 -1.551 9.905 1.00 25.51 H new ATOM 0 HG22 ILE A 632 -12.075 -0.176 10.233 1.00 25.51 H new ATOM 0 HG23 ILE A 632 -12.749 -1.812 10.044 1.00 25.51 H new ATOM 0 HD11 ILE A 632 -11.507 -2.953 5.481 1.00 73.23 H new ATOM 0 HD12 ILE A 632 -12.454 -1.446 5.497 1.00 73.23 H new ATOM 0 HD13 ILE A 632 -10.713 -1.407 5.864 1.00 73.23 H new ATOM 1097 N ALA A 633 -12.913 1.674 9.202 1.00 61.24 N ATOM 1098 CA ALA A 633 -13.111 2.726 10.192 1.00 71.24 C ATOM 1099 C ALA A 633 -13.444 4.055 9.522 1.00 10.45 C ATOM 1100 O ALA A 633 -12.869 4.421 8.496 1.00 52.34 O ATOM 1101 CB ALA A 633 -11.873 2.870 11.065 1.00 32.34 C ATOM 0 H ALA A 633 -12.013 1.708 8.724 1.00 61.24 H new ATOM 0 HA ALA A 633 -13.955 2.444 10.821 1.00 71.24 H new ATOM 0 HB1 ALA A 633 -12.035 3.659 11.799 1.00 32.34 H new ATOM 0 HB2 ALA A 633 -11.680 1.929 11.580 1.00 32.34 H new ATOM 0 HB3 ALA A 633 -11.016 3.125 10.442 1.00 32.34 H new ATOM 1210 N PRO A 641 -9.623 11.985 -2.219 1.00 3.33 N ATOM 1211 CA PRO A 641 -10.353 10.796 -2.668 1.00 41.31 C ATOM 1212 C PRO A 641 -9.443 9.584 -2.832 1.00 63.51 C ATOM 1213 O PRO A 641 -8.401 9.660 -3.484 1.00 41.13 O ATOM 1214 CB PRO A 641 -10.925 11.221 -4.023 1.00 52.12 C ATOM 1215 CG PRO A 641 -10.005 12.291 -4.503 1.00 44.44 C ATOM 1216 CD PRO A 641 -9.529 13.011 -3.272 1.00 42.40 C ATOM 0 HA PRO A 641 -11.110 10.488 -1.947 1.00 41.31 H new ATOM 0 HB2 PRO A 641 -10.956 10.384 -4.720 1.00 52.12 H new ATOM 0 HB3 PRO A 641 -11.945 11.591 -3.924 1.00 52.12 H new ATOM 0 HG2 PRO A 641 -9.167 11.866 -5.055 1.00 44.44 H new ATOM 0 HG3 PRO A 641 -10.519 12.973 -5.180 1.00 44.44 H new ATOM 0 HD2 PRO A 641 -8.508 13.375 -3.389 1.00 42.40 H new ATOM 0 HD3 PRO A 641 -10.152 13.877 -3.047 1.00 42.40 H new ATOM 1221 N VAL A 642 -9.841 8.465 -2.234 1.00 12.32 N ATOM 1222 CA VAL A 642 -9.062 7.236 -2.314 1.00 44.40 C ATOM 1223 C VAL A 642 -9.484 6.395 -3.514 1.00 51.31 C ATOM 1224 O VAL A 642 -10.670 6.167 -3.758 1.00 22.33 O ATOM 1225 CB VAL A 642 -9.209 6.393 -1.033 1.00 1.31 C ATOM 1226 CG1 VAL A 642 -8.087 5.371 -0.935 1.00 32.34 C ATOM 1227 CG2 VAL A 642 -9.233 7.291 0.194 1.00 11.00 C ATOM 0 H VAL A 642 -10.699 8.385 -1.689 1.00 12.32 H new ATOM 0 HA VAL A 642 -8.019 7.530 -2.428 1.00 44.40 H new ATOM 0 HB VAL A 642 -10.155 5.854 -1.079 1.00 1.31 H new ATOM 0 HG11 VAL A 642 -8.207 4.785 -0.024 1.00 32.34 H new ATOM 0 HG12 VAL A 642 -8.122 4.709 -1.800 1.00 32.34 H new ATOM 0 HG13 VAL A 642 -7.127 5.886 -0.911 1.00 32.34 H new ATOM 0 HG21 VAL A 642 -9.337 6.680 1.090 1.00 11.00 H new ATOM 0 HG22 VAL A 642 -8.304 7.858 0.248 1.00 11.00 H new ATOM 0 HG23 VAL A 642 -10.075 7.980 0.124 1.00 11.00 H new ATOM 1237 N PRO A 643 -8.492 5.920 -4.282 1.00 54.22 N ATOM 1238 CA PRO A 643 -8.736 5.096 -5.470 1.00 4.13 C ATOM 1239 C PRO A 643 -9.256 3.707 -5.114 1.00 52.41 C ATOM 1240 O PRO A 643 -8.671 3.009 -4.287 1.00 31.02 O ATOM 1241 CB PRO A 643 -7.356 4.998 -6.124 1.00 23.51 C ATOM 1242 CG PRO A 643 -6.392 5.198 -5.005 1.00 72.44 C ATOM 1243 CD PRO A 643 -7.056 6.152 -4.052 1.00 51.23 C ATOM 0 HA PRO A 643 -9.499 5.529 -6.117 1.00 4.13 H new ATOM 0 HB2 PRO A 643 -7.212 4.029 -6.602 1.00 23.51 H new ATOM 0 HB3 PRO A 643 -7.229 5.757 -6.896 1.00 23.51 H new ATOM 0 HG2 PRO A 643 -6.163 4.252 -4.514 1.00 72.44 H new ATOM 0 HG3 PRO A 643 -5.449 5.605 -5.370 1.00 72.44 H new ATOM 0 HD2 PRO A 643 -6.776 5.947 -3.019 1.00 51.23 H new ATOM 0 HD3 PRO A 643 -6.778 7.185 -4.259 1.00 51.23 H new ATOM 1248 N GLN A 644 -10.358 3.314 -5.744 1.00 50.34 N ATOM 1249 CA GLN A 644 -10.957 2.008 -5.493 1.00 42.03 C ATOM 1250 C GLN A 644 -10.068 0.890 -6.027 1.00 33.21 C ATOM 1251 O GLN A 644 -10.131 -0.246 -5.556 1.00 11.31 O ATOM 1252 CB GLN A 644 -12.342 1.926 -6.137 1.00 11.33 C ATOM 1253 CG GLN A 644 -13.172 0.751 -5.646 1.00 1.55 C ATOM 1254 CD GLN A 644 -14.502 0.635 -6.365 1.00 20.32 C ATOM 1255 OE1 GLN A 644 -14.698 -0.254 -7.194 1.00 21.43 O ATOM 1256 NE2 GLN A 644 -15.425 1.536 -6.051 1.00 43.41 N ATOM 0 H GLN A 644 -10.854 3.881 -6.432 1.00 50.34 H new ATOM 0 HA GLN A 644 -11.058 1.884 -4.415 1.00 42.03 H new ATOM 0 HB2 GLN A 644 -12.882 2.851 -5.936 1.00 11.33 H new ATOM 0 HB3 GLN A 644 -12.227 1.852 -7.218 1.00 11.33 H new ATOM 0 HG2 GLN A 644 -12.607 -0.171 -5.784 1.00 1.55 H new ATOM 0 HG3 GLN A 644 -13.350 0.859 -4.576 1.00 1.55 H new ATOM 0 HE21 GLN A 644 -15.220 2.256 -5.358 1.00 43.41 H new ATOM 0 HE22 GLN A 644 -16.339 1.508 -6.503 1.00 43.41 H new ATOM 1263 N ASP A 645 -9.240 1.219 -7.012 1.00 2.13 N ATOM 1264 CA ASP A 645 -8.337 0.242 -7.610 1.00 2.00 C ATOM 1265 C ASP A 645 -7.341 -0.280 -6.579 1.00 15.24 C ATOM 1266 O ASP A 645 -7.130 -1.488 -6.460 1.00 75.51 O ATOM 1267 CB ASP A 645 -7.588 0.864 -8.791 1.00 42.41 C ATOM 1268 CG ASP A 645 -6.986 -0.181 -9.709 1.00 24.02 C ATOM 1269 OD1 ASP A 645 -7.582 -1.271 -9.839 1.00 1.03 O ATOM 1270 OD2 ASP A 645 -5.917 0.090 -10.296 1.00 64.23 O ATOM 0 H ASP A 645 -9.175 2.154 -7.413 1.00 2.13 H new ATOM 0 HA ASP A 645 -8.934 -0.596 -7.969 1.00 2.00 H new ATOM 0 HB2 ASP A 645 -8.272 1.493 -9.361 1.00 42.41 H new ATOM 0 HB3 ASP A 645 -6.797 1.512 -8.415 1.00 42.41 H new ATOM 1274 N LEU A 646 -6.730 0.638 -5.836 1.00 42.50 N ATOM 1275 CA LEU A 646 -5.756 0.270 -4.815 1.00 14.31 C ATOM 1276 C LEU A 646 -6.438 -0.397 -3.625 1.00 33.21 C ATOM 1277 O LEU A 646 -6.042 -1.482 -3.197 1.00 54.54 O ATOM 1278 CB LEU A 646 -4.986 1.507 -4.350 1.00 61.13 C ATOM 1279 CG LEU A 646 -4.501 2.451 -5.450 1.00 15.51 C ATOM 1280 CD1 LEU A 646 -3.552 3.493 -4.881 1.00 23.25 C ATOM 1281 CD2 LEU A 646 -3.828 1.666 -6.567 1.00 71.51 C ATOM 0 H LEU A 646 -6.892 1.641 -5.922 1.00 42.50 H new ATOM 0 HA LEU A 646 -5.057 -0.442 -5.254 1.00 14.31 H new ATOM 0 HB2 LEU A 646 -5.623 2.072 -3.670 1.00 61.13 H new ATOM 0 HB3 LEU A 646 -4.121 1.176 -3.776 1.00 61.13 H new ATOM 0 HG LEU A 646 -5.366 2.968 -5.866 1.00 15.51 H new ATOM 0 HD11 LEU A 646 -3.218 4.155 -5.680 1.00 23.25 H new ATOM 0 HD12 LEU A 646 -4.067 4.076 -4.118 1.00 23.25 H new ATOM 0 HD13 LEU A 646 -2.689 2.996 -4.437 1.00 23.25 H new ATOM 0 HD21 LEU A 646 -3.489 2.354 -7.342 1.00 71.51 H new ATOM 0 HD22 LEU A 646 -2.973 1.122 -6.165 1.00 71.51 H new ATOM 0 HD23 LEU A 646 -4.539 0.960 -6.995 1.00 71.51 H new ATOM 1292 N LEU A 647 -7.466 0.258 -3.097 1.00 62.04 N ATOM 1293 CA LEU A 647 -8.207 -0.273 -1.957 1.00 75.43 C ATOM 1294 C LEU A 647 -8.730 -1.675 -2.252 1.00 14.45 C ATOM 1295 O LEU A 647 -8.754 -2.537 -1.374 1.00 34.24 O ATOM 1296 CB LEU A 647 -9.371 0.654 -1.604 1.00 71.44 C ATOM 1297 CG LEU A 647 -8.991 2.057 -1.128 1.00 72.23 C ATOM 1298 CD1 LEU A 647 -10.236 2.901 -0.902 1.00 4.13 C ATOM 1299 CD2 LEU A 647 -8.159 1.982 0.145 1.00 40.20 C ATOM 0 H LEU A 647 -7.806 1.157 -3.439 1.00 62.04 H new ATOM 0 HA LEU A 647 -7.526 -0.331 -1.108 1.00 75.43 H new ATOM 0 HB2 LEU A 647 -10.011 0.751 -2.481 1.00 71.44 H new ATOM 0 HB3 LEU A 647 -9.966 0.177 -0.826 1.00 71.44 H new ATOM 0 HG LEU A 647 -8.391 2.532 -1.904 1.00 72.23 H new ATOM 0 HD11 LEU A 647 -9.945 3.895 -0.564 1.00 4.13 H new ATOM 0 HD12 LEU A 647 -10.794 2.984 -1.835 1.00 4.13 H new ATOM 0 HD13 LEU A 647 -10.863 2.429 -0.145 1.00 4.13 H new ATOM 0 HD21 LEU A 647 -7.898 2.989 0.469 1.00 40.20 H new ATOM 0 HD22 LEU A 647 -8.735 1.487 0.927 1.00 40.20 H new ATOM 0 HD23 LEU A 647 -7.248 1.416 -0.049 1.00 40.20 H new ATOM 1310 N ASP A 648 -9.146 -1.896 -3.495 1.00 72.53 N ATOM 1311 CA ASP A 648 -9.666 -3.194 -3.908 1.00 62.42 C ATOM 1312 C ASP A 648 -8.600 -4.276 -3.766 1.00 22.02 C ATOM 1313 O ASP A 648 -8.848 -5.335 -3.190 1.00 10.30 O ATOM 1314 CB ASP A 648 -10.160 -3.133 -5.353 1.00 51.45 C ATOM 1315 CG ASP A 648 -10.656 -4.476 -5.852 1.00 52.44 C ATOM 1316 OD1 ASP A 648 -9.814 -5.356 -6.124 1.00 41.42 O ATOM 1317 OD2 ASP A 648 -11.888 -4.646 -5.972 1.00 1.51 O ATOM 0 H ASP A 648 -9.133 -1.193 -4.234 1.00 72.53 H new ATOM 0 HA ASP A 648 -10.503 -3.447 -3.257 1.00 62.42 H new ATOM 0 HB2 ASP A 648 -10.964 -2.401 -5.428 1.00 51.45 H new ATOM 0 HB3 ASP A 648 -9.351 -2.786 -5.996 1.00 51.45 H new ATOM 1321 N ARG A 649 -7.413 -4.002 -4.298 1.00 25.43 N ATOM 1322 CA ARG A 649 -6.309 -4.953 -4.233 1.00 24.00 C ATOM 1323 C ARG A 649 -5.808 -5.107 -2.800 1.00 23.22 C ATOM 1324 O ARG A 649 -5.346 -6.178 -2.405 1.00 42.02 O ATOM 1325 CB ARG A 649 -5.163 -4.500 -5.139 1.00 2.32 C ATOM 1326 CG ARG A 649 -5.570 -4.325 -6.594 1.00 60.44 C ATOM 1327 CD ARG A 649 -5.315 -5.589 -7.399 1.00 14.34 C ATOM 1328 NE ARG A 649 -6.362 -6.588 -7.196 1.00 15.14 N ATOM 1329 CZ ARG A 649 -7.539 -6.553 -7.810 1.00 4.15 C ATOM 1330 NH1 ARG A 649 -7.819 -5.575 -8.662 1.00 24.20 N ATOM 1331 NH2 ARG A 649 -8.439 -7.499 -7.574 1.00 51.25 N ATOM 0 H ARG A 649 -7.191 -3.130 -4.778 1.00 25.43 H new ATOM 0 HA ARG A 649 -6.675 -5.920 -4.578 1.00 24.00 H new ATOM 0 HB2 ARG A 649 -4.767 -3.556 -4.765 1.00 2.32 H new ATOM 0 HB3 ARG A 649 -4.355 -5.230 -5.082 1.00 2.32 H new ATOM 0 HG2 ARG A 649 -6.627 -4.065 -6.649 1.00 60.44 H new ATOM 0 HG3 ARG A 649 -5.014 -3.495 -7.031 1.00 60.44 H new ATOM 0 HD2 ARG A 649 -5.254 -5.338 -8.458 1.00 14.34 H new ATOM 0 HD3 ARG A 649 -4.351 -6.011 -7.115 1.00 14.34 H new ATOM 0 HE ARG A 649 -6.179 -7.354 -6.548 1.00 15.14 H new ATOM 0 HH11 ARG A 649 -7.129 -4.847 -8.847 1.00 24.20 H new ATOM 0 HH12 ARG A 649 -8.724 -5.551 -9.132 1.00 24.20 H new ATOM 0 HH21 ARG A 649 -8.227 -8.253 -6.921 1.00 51.25 H new ATOM 0 HH22 ARG A 649 -9.343 -7.472 -8.046 1.00 51.25 H new ATOM 1342 N VAL A 650 -5.901 -4.031 -2.026 1.00 12.14 N ATOM 1343 CA VAL A 650 -5.458 -4.046 -0.638 1.00 64.31 C ATOM 1344 C VAL A 650 -6.249 -5.060 0.181 1.00 74.14 C ATOM 1345 O VAL A 650 -5.675 -5.871 0.909 1.00 14.11 O ATOM 1346 CB VAL A 650 -5.597 -2.656 0.011 1.00 62.14 C ATOM 1347 CG1 VAL A 650 -5.311 -2.732 1.503 1.00 24.30 C ATOM 1348 CG2 VAL A 650 -4.674 -1.656 -0.667 1.00 60.24 C ATOM 0 H VAL A 650 -6.280 -3.137 -2.338 1.00 12.14 H new ATOM 0 HA VAL A 650 -4.406 -4.331 -0.645 1.00 64.31 H new ATOM 0 HB VAL A 650 -6.624 -2.314 -0.121 1.00 62.14 H new ATOM 0 HG11 VAL A 650 -5.414 -1.741 1.944 1.00 24.30 H new ATOM 0 HG12 VAL A 650 -6.018 -3.414 1.975 1.00 24.30 H new ATOM 0 HG13 VAL A 650 -4.296 -3.096 1.661 1.00 24.30 H new ATOM 0 HG21 VAL A 650 -4.786 -0.680 -0.195 1.00 60.24 H new ATOM 0 HG22 VAL A 650 -3.641 -1.990 -0.569 1.00 60.24 H new ATOM 0 HG23 VAL A 650 -4.932 -1.580 -1.723 1.00 60.24 H new ATOM 1358 N LEU A 651 -7.570 -5.009 0.056 1.00 42.53 N ATOM 1359 CA LEU A 651 -8.443 -5.923 0.785 1.00 4.43 C ATOM 1360 C LEU A 651 -8.334 -7.339 0.227 1.00 45.52 C ATOM 1361 O LEU A 651 -8.569 -8.316 0.938 1.00 11.15 O ATOM 1362 CB LEU A 651 -9.894 -5.443 0.710 1.00 43.41 C ATOM 1363 CG LEU A 651 -10.321 -4.429 1.772 1.00 22.15 C ATOM 1364 CD1 LEU A 651 -9.328 -3.279 1.842 1.00 20.24 C ATOM 1365 CD2 LEU A 651 -11.721 -3.911 1.482 1.00 41.12 C ATOM 0 H LEU A 651 -8.061 -4.345 -0.543 1.00 42.53 H new ATOM 0 HA LEU A 651 -8.125 -5.937 1.828 1.00 4.43 H new ATOM 0 HB2 LEU A 651 -10.059 -5.001 -0.273 1.00 43.41 H new ATOM 0 HB3 LEU A 651 -10.548 -6.312 0.783 1.00 43.41 H new ATOM 0 HG LEU A 651 -10.334 -4.929 2.740 1.00 22.15 H new ATOM 0 HD11 LEU A 651 -9.648 -2.567 2.603 1.00 20.24 H new ATOM 0 HD12 LEU A 651 -8.342 -3.665 2.099 1.00 20.24 H new ATOM 0 HD13 LEU A 651 -9.282 -2.779 0.875 1.00 20.24 H new ATOM 0 HD21 LEU A 651 -12.008 -3.191 2.248 1.00 41.12 H new ATOM 0 HD22 LEU A 651 -11.735 -3.427 0.505 1.00 41.12 H new ATOM 0 HD23 LEU A 651 -12.425 -4.743 1.485 1.00 41.12 H new ATOM 1376 N ALA A 652 -7.976 -7.441 -1.048 1.00 4.41 N ATOM 1377 CA ALA A 652 -7.833 -8.737 -1.700 1.00 23.42 C ATOM 1378 C ALA A 652 -6.636 -9.502 -1.144 1.00 74.10 C ATOM 1379 O ALA A 652 -6.733 -10.691 -0.843 1.00 14.11 O ATOM 1380 CB ALA A 652 -7.695 -8.559 -3.205 1.00 65.10 C ATOM 0 H ALA A 652 -7.780 -6.642 -1.650 1.00 4.41 H new ATOM 0 HA ALA A 652 -8.731 -9.320 -1.495 1.00 23.42 H new ATOM 0 HB1 ALA A 652 -7.589 -9.535 -3.679 1.00 65.10 H new ATOM 0 HB2 ALA A 652 -8.582 -8.061 -3.595 1.00 65.10 H new ATOM 0 HB3 ALA A 652 -6.815 -7.954 -3.421 1.00 65.10 H new ATOM 1386 N ALA A 653 -5.509 -8.811 -1.011 1.00 63.40 N ATOM 1387 CA ALA A 653 -4.293 -9.425 -0.489 1.00 50.41 C ATOM 1388 C ALA A 653 -4.374 -9.602 1.023 1.00 31.21 C ATOM 1389 O ALA A 653 -4.041 -10.663 1.553 1.00 11.31 O ATOM 1390 CB ALA A 653 -3.078 -8.588 -0.861 1.00 1.40 C ATOM 0 H ALA A 653 -5.412 -7.826 -1.257 1.00 63.40 H new ATOM 0 HA ALA A 653 -4.191 -10.413 -0.939 1.00 50.41 H new ATOM 0 HB1 ALA A 653 -2.178 -9.058 -0.465 1.00 1.40 H new ATOM 0 HB2 ALA A 653 -3.003 -8.517 -1.946 1.00 1.40 H new ATOM 0 HB3 ALA A 653 -3.182 -7.589 -0.439 1.00 1.40 H new ATOM 1396 N HIS A 654 -4.817 -8.556 1.714 1.00 20.43 N ATOM 1397 CA HIS A 654 -4.939 -8.597 3.167 1.00 42.33 C ATOM 1398 C HIS A 654 -5.777 -9.794 3.608 1.00 12.21 C ATOM 1399 O HIS A 654 -5.429 -10.490 4.561 1.00 23.14 O ATOM 1400 CB HIS A 654 -5.569 -7.302 3.683 1.00 21.42 C ATOM 1401 CG HIS A 654 -5.862 -7.323 5.152 1.00 23.33 C ATOM 1402 ND1 HIS A 654 -6.942 -7.986 5.694 1.00 53.33 N ATOM 1403 CD2 HIS A 654 -5.207 -6.758 6.194 1.00 41.32 C ATOM 1404 CE1 HIS A 654 -6.942 -7.827 7.006 1.00 33.23 C ATOM 1405 NE2 HIS A 654 -5.898 -7.086 7.334 1.00 52.12 N ATOM 0 H HIS A 654 -5.097 -7.671 1.292 1.00 20.43 H new ATOM 0 HA HIS A 654 -3.939 -8.700 3.589 1.00 42.33 H new ATOM 0 HB2 HIS A 654 -4.899 -6.470 3.466 1.00 21.42 H new ATOM 0 HB3 HIS A 654 -6.495 -7.116 3.139 1.00 21.42 H new ATOM 0 HD2 HIS A 654 -4.309 -6.161 6.139 1.00 41.32 H new ATOM 0 HE1 HIS A 654 -7.670 -8.233 7.692 1.00 33.23 H new ATOM 0 HE2 HIS A 654 -5.646 -6.803 8.281 1.00 52.12 H new ATOM 1412 N ALA A 655 -6.883 -10.027 2.909 1.00 55.02 N ATOM 1413 CA ALA A 655 -7.769 -11.138 3.227 1.00 4.03 C ATOM 1414 C ALA A 655 -7.198 -12.459 2.717 1.00 74.25 C ATOM 1415 O ALA A 655 -7.171 -13.454 3.440 1.00 3.31 O ATOM 1416 CB ALA A 655 -9.151 -10.898 2.640 1.00 12.41 C ATOM 0 H ALA A 655 -7.186 -9.460 2.118 1.00 55.02 H new ATOM 0 HA ALA A 655 -7.854 -11.202 4.312 1.00 4.03 H new ATOM 0 HB1 ALA A 655 -9.802 -11.737 2.886 1.00 12.41 H new ATOM 0 HB2 ALA A 655 -9.569 -9.981 3.056 1.00 12.41 H new ATOM 0 HB3 ALA A 655 -9.075 -10.804 1.557 1.00 12.41 H new ATOM 1422 N TYR A 656 -6.745 -12.458 1.468 1.00 72.55 N ATOM 1423 CA TYR A 656 -6.178 -13.656 0.862 1.00 15.04 C ATOM 1424 C TYR A 656 -5.052 -14.222 1.721 1.00 51.21 C ATOM 1425 O TYR A 656 -5.028 -15.415 2.026 1.00 53.21 O ATOM 1426 CB TYR A 656 -5.655 -13.343 -0.541 1.00 10.15 C ATOM 1427 CG TYR A 656 -4.891 -14.486 -1.171 1.00 34.12 C ATOM 1428 CD1 TYR A 656 -5.557 -15.558 -1.750 1.00 65.34 C ATOM 1429 CD2 TYR A 656 -3.501 -14.490 -1.190 1.00 64.14 C ATOM 1430 CE1 TYR A 656 -4.863 -16.604 -2.325 1.00 20.32 C ATOM 1431 CE2 TYR A 656 -2.798 -15.532 -1.765 1.00 72.54 C ATOM 1432 CZ TYR A 656 -3.483 -16.586 -2.330 1.00 11.23 C ATOM 1433 OH TYR A 656 -2.788 -17.626 -2.905 1.00 63.13 O ATOM 0 H TYR A 656 -6.760 -11.642 0.857 1.00 72.55 H new ATOM 0 HA TYR A 656 -6.967 -14.405 0.791 1.00 15.04 H new ATOM 0 HB2 TYR A 656 -6.496 -13.081 -1.183 1.00 10.15 H new ATOM 0 HB3 TYR A 656 -5.007 -12.468 -0.491 1.00 10.15 H new ATOM 0 HD1 TYR A 656 -6.637 -15.574 -1.751 1.00 65.34 H new ATOM 0 HD2 TYR A 656 -2.961 -13.665 -0.748 1.00 64.14 H new ATOM 0 HE1 TYR A 656 -5.397 -17.432 -2.768 1.00 20.32 H new ATOM 0 HE2 TYR A 656 -1.718 -15.520 -1.771 1.00 72.54 H new ATOM 0 HH TYR A 656 -1.825 -17.460 -2.826 1.00 63.13 H new ATOM 1442 N TRP A 657 -4.121 -13.358 2.110 1.00 73.13 N ATOM 1443 CA TRP A 657 -2.993 -13.770 2.935 1.00 20.41 C ATOM 1444 C TRP A 657 -3.447 -14.108 4.351 1.00 53.14 C ATOM 1445 O TRP A 657 -2.876 -14.979 5.005 1.00 41.01 O ATOM 1446 CB TRP A 657 -1.934 -12.666 2.976 1.00 51.30 C ATOM 1447 CG TRP A 657 -1.073 -12.623 1.749 1.00 71.22 C ATOM 1448 CD1 TRP A 657 -1.245 -11.823 0.656 1.00 10.22 C ATOM 1449 CD2 TRP A 657 0.091 -13.414 1.491 1.00 24.55 C ATOM 1450 NE1 TRP A 657 -0.257 -12.070 -0.266 1.00 31.33 N ATOM 1451 CE2 TRP A 657 0.576 -13.041 0.222 1.00 42.33 C ATOM 1452 CE3 TRP A 657 0.773 -14.401 2.209 1.00 63.10 C ATOM 1453 CZ2 TRP A 657 1.709 -13.622 -0.341 1.00 70.12 C ATOM 1454 CZ3 TRP A 657 1.897 -14.976 1.649 1.00 14.23 C ATOM 1455 CH2 TRP A 657 2.357 -14.585 0.384 1.00 51.21 C ATOM 0 H TRP A 657 -4.126 -12.367 1.867 1.00 73.13 H new ATOM 0 HA TRP A 657 -2.558 -14.665 2.490 1.00 20.41 H new ATOM 0 HB2 TRP A 657 -2.429 -11.702 3.098 1.00 51.30 H new ATOM 0 HB3 TRP A 657 -1.300 -12.812 3.851 1.00 51.30 H new ATOM 0 HD1 TRP A 657 -2.040 -11.102 0.534 1.00 10.22 H new ATOM 0 HE1 TRP A 657 -0.160 -11.605 -1.169 1.00 31.33 H new ATOM 0 HE3 TRP A 657 0.427 -14.708 3.185 1.00 63.10 H new ATOM 0 HZ2 TRP A 657 2.064 -13.323 -1.316 1.00 70.12 H new ATOM 0 HZ3 TRP A 657 2.431 -15.740 2.195 1.00 14.23 H new ATOM 0 HH2 TRP A 657 3.240 -15.053 -0.026 1.00 51.21 H new ATOM 1465 N SER A 658 -4.479 -13.411 4.818 1.00 51.41 N ATOM 1466 CA SER A 658 -5.008 -13.636 6.158 1.00 73.02 C ATOM 1467 C SER A 658 -5.698 -14.993 6.250 1.00 22.54 C ATOM 1468 O SER A 658 -5.642 -15.661 7.282 1.00 33.32 O ATOM 1469 CB SER A 658 -5.992 -12.525 6.534 1.00 22.15 C ATOM 1470 OG SER A 658 -6.606 -12.788 7.783 1.00 12.05 O ATOM 0 H SER A 658 -4.964 -12.687 4.289 1.00 51.41 H new ATOM 0 HA SER A 658 -4.172 -13.625 6.858 1.00 73.02 H new ATOM 0 HB2 SER A 658 -5.468 -11.570 6.577 1.00 22.15 H new ATOM 0 HB3 SER A 658 -6.756 -12.435 5.762 1.00 22.15 H new ATOM 0 HG SER A 658 -7.228 -12.063 8.001 1.00 12.05 H new ATOM 1475 N GLN A 659 -6.348 -15.394 5.162 1.00 64.44 N ATOM 1476 CA GLN A 659 -7.049 -16.671 5.120 1.00 5.15 C ATOM 1477 C GLN A 659 -6.098 -17.803 4.745 1.00 13.43 C ATOM 1478 O GLN A 659 -6.093 -18.858 5.378 1.00 41.41 O ATOM 1479 CB GLN A 659 -8.206 -16.610 4.121 1.00 60.51 C ATOM 1480 CG GLN A 659 -9.127 -17.818 4.180 1.00 22.33 C ATOM 1481 CD GLN A 659 -9.958 -17.857 5.446 1.00 44.51 C ATOM 1482 OE1 GLN A 659 -9.622 -18.555 6.403 1.00 72.34 O ATOM 1483 NE2 GLN A 659 -11.053 -17.106 5.458 1.00 51.32 N ATOM 0 H GLN A 659 -6.403 -14.853 4.299 1.00 64.44 H new ATOM 0 HA GLN A 659 -7.447 -16.870 6.115 1.00 5.15 H new ATOM 0 HB2 GLN A 659 -8.790 -15.709 4.309 1.00 60.51 H new ATOM 0 HB3 GLN A 659 -7.800 -16.522 3.113 1.00 60.51 H new ATOM 0 HG2 GLN A 659 -9.790 -17.807 3.315 1.00 22.33 H new ATOM 0 HG3 GLN A 659 -8.531 -18.728 4.113 1.00 22.33 H new ATOM 0 HE21 GLN A 659 -11.294 -16.543 4.643 1.00 51.32 H new ATOM 0 HE22 GLN A 659 -11.653 -17.093 6.283 1.00 51.32 H new