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 180:sc= 0 USER MOD Single : A 594 HIS : no HD1:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 597 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 604 LYS NZ :NH3+ 148:sc= 1.3 (180deg=0.465) 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+ 161:sc= 0.0173 (180deg=0) USER MOD Single : A 622 LYS NZ :NH3+ -118:sc= 0.657 (180deg=-0.00623) 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 X(o=0,f=-0.071) USER MOD Single : A 629 THR OG1 : rot 87:sc= 1.26 USER MOD Single : A 631 SER OG : rot -65:sc= 1.04 USER MOD Single : A 644 GLN : amide:sc= -1.81 K(o=-1.8,f=-4!) USER MOD Single : A 654 HIS : no HD1:sc= -0.515 K(o=-0.51,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=-0.00116 X(o=-0.0012,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 321 N SER A 581 0.838 9.817 -2.116 1.00 71.22 N ATOM 322 CA SER A 581 -0.078 10.073 -3.221 1.00 21.23 C ATOM 323 C SER A 581 -0.468 8.772 -3.915 1.00 23.24 C ATOM 324 O SER A 581 -0.030 7.690 -3.525 1.00 61.24 O ATOM 325 CB SER A 581 0.560 11.031 -4.229 1.00 51.15 C ATOM 326 OG SER A 581 0.492 12.370 -3.772 1.00 51.25 O ATOM 0 HA SER A 581 -0.979 10.532 -2.815 1.00 21.23 H new ATOM 0 HB2 SER A 581 1.601 10.752 -4.393 1.00 51.15 H new ATOM 0 HB3 SER A 581 0.052 10.945 -5.189 1.00 51.15 H new ATOM 0 HG SER A 581 0.908 12.963 -4.433 1.00 51.25 H new ATOM 331 N VAL A 582 -1.296 8.885 -4.949 1.00 75.20 N ATOM 332 CA VAL A 582 -1.745 7.719 -5.701 1.00 10.02 C ATOM 333 C VAL A 582 -0.562 6.900 -6.205 1.00 74.13 C ATOM 334 O VAL A 582 -0.603 5.671 -6.216 1.00 11.43 O ATOM 335 CB VAL A 582 -2.620 8.127 -6.901 1.00 11.42 C ATOM 336 CG1 VAL A 582 -3.052 6.901 -7.689 1.00 34.42 C ATOM 337 CG2 VAL A 582 -3.829 8.922 -6.431 1.00 52.21 C ATOM 0 H VAL A 582 -1.670 9.773 -5.285 1.00 75.20 H new ATOM 0 HA VAL A 582 -2.339 7.112 -5.017 1.00 10.02 H new ATOM 0 HB VAL A 582 -2.029 8.762 -7.560 1.00 11.42 H new ATOM 0 HG11 VAL A 582 -3.669 7.210 -8.533 1.00 34.42 H new ATOM 0 HG12 VAL A 582 -2.171 6.376 -8.057 1.00 34.42 H new ATOM 0 HG13 VAL A 582 -3.626 6.237 -7.043 1.00 34.42 H new ATOM 0 HG21 VAL A 582 -4.437 9.203 -7.291 1.00 52.21 H new ATOM 0 HG22 VAL A 582 -4.423 8.312 -5.750 1.00 52.21 H new ATOM 0 HG23 VAL A 582 -3.494 9.822 -5.914 1.00 52.21 H new ATOM 347 N ALA A 583 0.495 7.592 -6.621 1.00 34.12 N ATOM 348 CA ALA A 583 1.692 6.929 -7.124 1.00 42.22 C ATOM 349 C ALA A 583 2.430 6.205 -6.004 1.00 52.44 C ATOM 350 O ALA A 583 2.813 5.045 -6.148 1.00 33.33 O ATOM 351 CB ALA A 583 2.609 7.938 -7.797 1.00 33.51 C ATOM 0 H ALA A 583 0.546 8.611 -6.619 1.00 34.12 H new ATOM 0 HA ALA A 583 1.385 6.186 -7.860 1.00 42.22 H new ATOM 0 HB1 ALA A 583 3.499 7.430 -8.168 1.00 33.51 H new ATOM 0 HB2 ALA A 583 2.085 8.407 -8.630 1.00 33.51 H new ATOM 0 HB3 ALA A 583 2.901 8.702 -7.076 1.00 33.51 H new ATOM 357 N GLU A 584 2.627 6.898 -4.885 1.00 34.04 N ATOM 358 CA GLU A 584 3.321 6.320 -3.741 1.00 31.22 C ATOM 359 C GLU A 584 2.548 5.130 -3.180 1.00 51.24 C ATOM 360 O GLU A 584 3.087 4.031 -3.050 1.00 23.10 O ATOM 361 CB GLU A 584 3.519 7.375 -2.650 1.00 2.13 C ATOM 362 CG GLU A 584 4.326 8.578 -3.106 1.00 72.22 C ATOM 363 CD GLU A 584 5.787 8.482 -2.712 1.00 54.14 C ATOM 364 OE1 GLU A 584 6.418 7.447 -3.013 1.00 12.20 O ATOM 365 OE2 GLU A 584 6.301 9.443 -2.102 1.00 54.23 O ATOM 0 H GLU A 584 2.316 7.860 -4.748 1.00 34.04 H new ATOM 0 HA GLU A 584 4.296 5.970 -4.079 1.00 31.22 H new ATOM 0 HB2 GLU A 584 2.543 7.714 -2.302 1.00 2.13 H new ATOM 0 HB3 GLU A 584 4.019 6.915 -1.798 1.00 2.13 H new ATOM 0 HG2 GLU A 584 4.251 8.672 -4.189 1.00 72.22 H new ATOM 0 HG3 GLU A 584 3.896 9.483 -2.677 1.00 72.22 H new ATOM 370 N VAL A 585 1.281 5.359 -2.849 1.00 31.41 N ATOM 371 CA VAL A 585 0.432 4.306 -2.301 1.00 35.45 C ATOM 372 C VAL A 585 0.350 3.117 -3.252 1.00 32.53 C ATOM 373 O VAL A 585 0.264 1.969 -2.819 1.00 75.00 O ATOM 374 CB VAL A 585 -0.990 4.823 -2.019 1.00 11.43 C ATOM 375 CG1 VAL A 585 -1.852 3.719 -1.426 1.00 42.04 C ATOM 376 CG2 VAL A 585 -0.945 6.030 -1.095 1.00 50.44 C ATOM 0 H VAL A 585 0.820 6.263 -2.950 1.00 31.41 H new ATOM 0 HA VAL A 585 0.887 3.987 -1.363 1.00 35.45 H new ATOM 0 HB VAL A 585 -1.438 5.134 -2.963 1.00 11.43 H new ATOM 0 HG11 VAL A 585 -2.854 4.103 -1.233 1.00 42.04 H new ATOM 0 HG12 VAL A 585 -1.911 2.887 -2.128 1.00 42.04 H new ATOM 0 HG13 VAL A 585 -1.410 3.374 -0.491 1.00 42.04 H new ATOM 0 HG21 VAL A 585 -1.959 6.382 -0.907 1.00 50.44 H new ATOM 0 HG22 VAL A 585 -0.477 5.749 -0.151 1.00 50.44 H new ATOM 0 HG23 VAL A 585 -0.366 6.826 -1.564 1.00 50.44 H new ATOM 386 N GLU A 586 0.377 3.401 -4.551 1.00 1.40 N ATOM 387 CA GLU A 586 0.304 2.354 -5.563 1.00 74.22 C ATOM 388 C GLU A 586 1.469 1.378 -5.421 1.00 50.21 C ATOM 389 O GLU A 586 1.292 0.165 -5.527 1.00 14.31 O ATOM 390 CB GLU A 586 0.307 2.968 -6.964 1.00 24.25 C ATOM 391 CG GLU A 586 -1.081 3.124 -7.563 1.00 34.12 C ATOM 392 CD GLU A 586 -1.067 3.876 -8.881 1.00 64.50 C ATOM 393 OE1 GLU A 586 -0.576 5.023 -8.903 1.00 40.51 O ATOM 394 OE2 GLU A 586 -1.546 3.316 -9.889 1.00 21.50 O ATOM 0 H GLU A 586 0.449 4.347 -4.926 1.00 1.40 H new ATOM 0 HA GLU A 586 -0.627 1.806 -5.416 1.00 74.22 H new ATOM 0 HB2 GLU A 586 0.787 3.945 -6.922 1.00 24.25 H new ATOM 0 HB3 GLU A 586 0.910 2.344 -7.624 1.00 24.25 H new ATOM 0 HG2 GLU A 586 -1.519 2.138 -7.716 1.00 34.12 H new ATOM 0 HG3 GLU A 586 -1.721 3.651 -6.855 1.00 34.12 H new ATOM 399 N ALA A 587 2.659 1.918 -5.180 1.00 12.33 N ATOM 400 CA ALA A 587 3.852 1.097 -5.021 1.00 22.53 C ATOM 401 C ALA A 587 3.796 0.289 -3.730 1.00 5.31 C ATOM 402 O ALA A 587 4.288 -0.839 -3.667 1.00 54.23 O ATOM 403 CB ALA A 587 5.100 1.968 -5.046 1.00 11.03 C ATOM 0 H ALA A 587 2.822 2.921 -5.091 1.00 12.33 H new ATOM 0 HA ALA A 587 3.893 0.397 -5.855 1.00 22.53 H new ATOM 0 HB1 ALA A 587 5.984 1.341 -4.926 1.00 11.03 H new ATOM 0 HB2 ALA A 587 5.156 2.496 -5.998 1.00 11.03 H new ATOM 0 HB3 ALA A 587 5.055 2.691 -4.232 1.00 11.03 H new ATOM 409 N LEU A 588 3.191 0.871 -2.700 1.00 45.21 N ATOM 410 CA LEU A 588 3.070 0.205 -1.408 1.00 43.24 C ATOM 411 C LEU A 588 2.124 -0.988 -1.496 1.00 33.45 C ATOM 412 O LEU A 588 2.491 -2.112 -1.152 1.00 25.14 O ATOM 413 CB LEU A 588 2.569 1.190 -0.349 1.00 22.44 C ATOM 414 CG LEU A 588 2.895 0.837 1.103 1.00 53.14 C ATOM 415 CD1 LEU A 588 2.208 -0.458 1.507 1.00 33.55 C ATOM 416 CD2 LEU A 588 4.401 0.729 1.300 1.00 12.20 C ATOM 0 H LEU A 588 2.777 1.802 -2.735 1.00 45.21 H new ATOM 0 HA LEU A 588 4.057 -0.158 -1.121 1.00 43.24 H new ATOM 0 HB2 LEU A 588 2.990 2.172 -0.567 1.00 22.44 H new ATOM 0 HB3 LEU A 588 1.487 1.278 -0.446 1.00 22.44 H new ATOM 0 HG LEU A 588 2.521 1.636 1.743 1.00 53.14 H new ATOM 0 HD11 LEU A 588 2.453 -0.692 2.543 1.00 33.55 H new ATOM 0 HD12 LEU A 588 1.129 -0.344 1.406 1.00 33.55 H new ATOM 0 HD13 LEU A 588 2.550 -1.268 0.862 1.00 33.55 H new ATOM 0 HD21 LEU A 588 4.615 0.477 2.339 1.00 12.20 H new ATOM 0 HD22 LEU A 588 4.798 -0.050 0.649 1.00 12.20 H new ATOM 0 HD23 LEU A 588 4.869 1.682 1.054 1.00 12.20 H new ATOM 427 N VAL A 589 0.905 -0.737 -1.963 1.00 20.42 N ATOM 428 CA VAL A 589 -0.093 -1.792 -2.101 1.00 15.31 C ATOM 429 C VAL A 589 0.366 -2.856 -3.090 1.00 2.13 C ATOM 430 O VAL A 589 0.288 -4.052 -2.810 1.00 75.11 O ATOM 431 CB VAL A 589 -1.448 -1.225 -2.566 1.00 53.24 C ATOM 432 CG1 VAL A 589 -1.277 -0.406 -3.836 1.00 31.44 C ATOM 433 CG2 VAL A 589 -2.452 -2.349 -2.775 1.00 55.03 C ATOM 0 H VAL A 589 0.585 0.187 -2.252 1.00 20.42 H new ATOM 0 HA VAL A 589 -0.215 -2.244 -1.116 1.00 15.31 H new ATOM 0 HB VAL A 589 -1.833 -0.566 -1.788 1.00 53.24 H new ATOM 0 HG11 VAL A 589 -2.245 -0.014 -4.149 1.00 31.44 H new ATOM 0 HG12 VAL A 589 -0.594 0.422 -3.646 1.00 31.44 H new ATOM 0 HG13 VAL A 589 -0.869 -1.038 -4.625 1.00 31.44 H new ATOM 0 HG21 VAL A 589 -3.403 -1.931 -3.103 1.00 55.03 H new ATOM 0 HG22 VAL A 589 -2.077 -3.036 -3.534 1.00 55.03 H new ATOM 0 HG23 VAL A 589 -2.596 -2.887 -1.838 1.00 55.03 H new ATOM 443 N GLU A 590 0.845 -2.413 -4.249 1.00 42.23 N ATOM 444 CA GLU A 590 1.316 -3.330 -5.281 1.00 62.00 C ATOM 445 C GLU A 590 2.454 -4.201 -4.755 1.00 32.03 C ATOM 446 O GLU A 590 2.640 -5.332 -5.203 1.00 34.40 O ATOM 447 CB GLU A 590 1.782 -2.551 -6.512 1.00 52.41 C ATOM 448 CG GLU A 590 0.642 -1.990 -7.345 1.00 2.42 C ATOM 449 CD GLU A 590 1.125 -1.096 -8.470 1.00 72.33 C ATOM 450 OE1 GLU A 590 2.347 -0.853 -8.552 1.00 20.12 O ATOM 451 OE2 GLU A 590 0.281 -0.640 -9.269 1.00 54.42 O ATOM 0 H GLU A 590 0.917 -1.426 -4.496 1.00 42.23 H new ATOM 0 HA GLU A 590 0.486 -3.978 -5.563 1.00 62.00 H new ATOM 0 HB2 GLU A 590 2.424 -1.731 -6.191 1.00 52.41 H new ATOM 0 HB3 GLU A 590 2.390 -3.205 -7.137 1.00 52.41 H new ATOM 0 HG2 GLU A 590 0.064 -2.814 -7.764 1.00 2.42 H new ATOM 0 HG3 GLU A 590 -0.030 -1.424 -6.700 1.00 2.42 H new ATOM 456 N ALA A 591 3.211 -3.665 -3.804 1.00 33.11 N ATOM 457 CA ALA A 591 4.330 -4.392 -3.218 1.00 51.02 C ATOM 458 C ALA A 591 3.839 -5.479 -2.268 1.00 62.20 C ATOM 459 O ALA A 591 4.343 -6.602 -2.281 1.00 63.24 O ATOM 460 CB ALA A 591 5.260 -3.433 -2.490 1.00 61.21 C ATOM 0 H ALA A 591 3.070 -2.730 -3.423 1.00 33.11 H new ATOM 0 HA ALA A 591 4.882 -4.873 -4.025 1.00 51.02 H new ATOM 0 HB1 ALA A 591 6.091 -3.990 -2.057 1.00 61.21 H new ATOM 0 HB2 ALA A 591 5.645 -2.695 -3.194 1.00 61.21 H new ATOM 0 HB3 ALA A 591 4.711 -2.926 -1.697 1.00 61.21 H new ATOM 466 N VAL A 592 2.853 -5.139 -1.444 1.00 54.12 N ATOM 467 CA VAL A 592 2.294 -6.086 -0.488 1.00 42.20 C ATOM 468 C VAL A 592 1.371 -7.084 -1.177 1.00 31.31 C ATOM 469 O VAL A 592 1.179 -8.201 -0.699 1.00 72.53 O ATOM 470 CB VAL A 592 1.512 -5.364 0.626 1.00 3.13 C ATOM 471 CG1 VAL A 592 0.400 -4.514 0.031 1.00 50.20 C ATOM 472 CG2 VAL A 592 0.951 -6.370 1.620 1.00 54.53 C ATOM 0 H VAL A 592 2.425 -4.214 -1.420 1.00 54.12 H new ATOM 0 HA VAL A 592 3.134 -6.620 -0.044 1.00 42.20 H new ATOM 0 HB VAL A 592 2.197 -4.704 1.159 1.00 3.13 H new ATOM 0 HG11 VAL A 592 -0.142 -4.011 0.832 1.00 50.20 H new ATOM 0 HG12 VAL A 592 0.830 -3.770 -0.639 1.00 50.20 H new ATOM 0 HG13 VAL A 592 -0.286 -5.151 -0.527 1.00 50.20 H new ATOM 0 HG21 VAL A 592 0.402 -5.843 2.400 1.00 54.53 H new ATOM 0 HG22 VAL A 592 0.280 -7.056 1.104 1.00 54.53 H new ATOM 0 HG23 VAL A 592 1.769 -6.933 2.069 1.00 54.53 H new ATOM 482 N GLU A 593 0.801 -6.672 -2.306 1.00 43.31 N ATOM 483 CA GLU A 593 -0.103 -7.531 -3.062 1.00 64.22 C ATOM 484 C GLU A 593 0.668 -8.640 -3.773 1.00 15.03 C ATOM 485 O GLU A 593 0.234 -9.791 -3.805 1.00 20.31 O ATOM 486 CB GLU A 593 -0.891 -6.707 -4.083 1.00 50.33 C ATOM 487 CG GLU A 593 -2.341 -6.477 -3.690 1.00 73.11 C ATOM 488 CD GLU A 593 -3.274 -7.522 -4.267 1.00 3.41 C ATOM 489 OE1 GLU A 593 -2.948 -8.725 -4.177 1.00 15.43 O ATOM 490 OE2 GLU A 593 -4.332 -7.138 -4.810 1.00 43.04 O ATOM 0 H GLU A 593 0.949 -5.750 -2.716 1.00 43.31 H new ATOM 0 HA GLU A 593 -0.800 -7.989 -2.360 1.00 64.22 H new ATOM 0 HB2 GLU A 593 -0.401 -5.742 -4.214 1.00 50.33 H new ATOM 0 HB3 GLU A 593 -0.861 -7.214 -5.048 1.00 50.33 H new ATOM 0 HG2 GLU A 593 -2.424 -6.482 -2.603 1.00 73.11 H new ATOM 0 HG3 GLU A 593 -2.653 -5.489 -4.029 1.00 73.11 H new ATOM 495 N HIS A 594 1.814 -8.283 -4.344 1.00 34.21 N ATOM 496 CA HIS A 594 2.647 -9.247 -5.056 1.00 0.43 C ATOM 497 C HIS A 594 3.555 -9.999 -4.089 1.00 4.42 C ATOM 498 O HIS A 594 3.662 -11.224 -4.148 1.00 60.40 O ATOM 499 CB HIS A 594 3.487 -8.539 -6.119 1.00 72.34 C ATOM 500 CG HIS A 594 3.831 -9.409 -7.289 1.00 5.01 C ATOM 501 ND1 HIS A 594 2.887 -9.886 -8.174 1.00 62.34 N ATOM 502 CD2 HIS A 594 5.023 -9.887 -7.717 1.00 2.10 C ATOM 503 CE1 HIS A 594 3.484 -10.620 -9.096 1.00 25.13 C ATOM 504 NE2 HIS A 594 4.780 -10.637 -8.841 1.00 3.35 N ATOM 0 H HIS A 594 2.187 -7.334 -4.328 1.00 34.21 H new ATOM 0 HA HIS A 594 1.991 -9.968 -5.544 1.00 0.43 H new ATOM 0 HB2 HIS A 594 2.944 -7.663 -6.475 1.00 72.34 H new ATOM 0 HB3 HIS A 594 4.408 -8.179 -5.661 1.00 72.34 H new ATOM 0 HD2 HIS A 594 5.985 -9.711 -7.260 1.00 2.10 H new ATOM 0 HE1 HIS A 594 2.995 -11.121 -9.919 1.00 25.13 H new ATOM 0 HE2 HIS A 594 5.486 -11.128 -9.390 1.00 3.35 H new ATOM 511 N LEU A 595 4.205 -9.258 -3.199 1.00 71.35 N ATOM 512 CA LEU A 595 5.106 -9.855 -2.219 1.00 44.30 C ATOM 513 C LEU A 595 4.323 -10.448 -1.051 1.00 70.31 C ATOM 514 O LEU A 595 4.844 -11.264 -0.292 1.00 3.11 O ATOM 515 CB LEU A 595 6.098 -8.810 -1.704 1.00 34.01 C ATOM 516 CG LEU A 595 6.827 -7.995 -2.773 1.00 61.44 C ATOM 517 CD1 LEU A 595 7.391 -6.715 -2.176 1.00 43.12 C ATOM 518 CD2 LEU A 595 7.936 -8.821 -3.409 1.00 61.11 C ATOM 0 H LEU A 595 4.125 -8.243 -3.135 1.00 71.35 H new ATOM 0 HA LEU A 595 5.656 -10.658 -2.710 1.00 44.30 H new ATOM 0 HB2 LEU A 595 5.563 -8.120 -1.051 1.00 34.01 H new ATOM 0 HB3 LEU A 595 6.843 -9.316 -1.090 1.00 34.01 H new ATOM 0 HG LEU A 595 6.110 -7.726 -3.549 1.00 61.44 H new ATOM 0 HD11 LEU A 595 7.906 -6.148 -2.951 1.00 43.12 H new ATOM 0 HD12 LEU A 595 6.578 -6.115 -1.767 1.00 43.12 H new ATOM 0 HD13 LEU A 595 8.094 -6.963 -1.381 1.00 43.12 H new ATOM 0 HD21 LEU A 595 8.444 -8.225 -4.167 1.00 61.11 H new ATOM 0 HD22 LEU A 595 8.652 -9.120 -2.643 1.00 61.11 H new ATOM 0 HD23 LEU A 595 7.508 -9.710 -3.873 1.00 61.11 H new ATOM 529 N GLY A 596 3.069 -10.032 -0.914 1.00 11.53 N ATOM 530 CA GLY A 596 2.233 -10.533 0.162 1.00 74.33 C ATOM 531 C GLY A 596 2.424 -9.761 1.452 1.00 60.24 C ATOM 532 O GLY A 596 3.397 -9.020 1.603 1.00 24.41 O ATOM 0 H GLY A 596 2.616 -9.356 -1.529 1.00 11.53 H new ATOM 0 HA2 GLY A 596 1.187 -10.478 -0.139 1.00 74.33 H new ATOM 0 HA3 GLY A 596 2.460 -11.585 0.335 1.00 74.33 H new ATOM 536 N THR A 597 1.494 -9.931 2.386 1.00 25.21 N ATOM 537 CA THR A 597 1.562 -9.243 3.669 1.00 34.22 C ATOM 538 C THR A 597 2.627 -9.860 4.567 1.00 62.30 C ATOM 539 O THR A 597 2.908 -9.353 5.652 1.00 21.21 O ATOM 540 CB THR A 597 0.207 -9.278 4.399 1.00 24.34 C ATOM 541 OG1 THR A 597 -0.521 -10.454 4.023 1.00 54.35 O ATOM 542 CG2 THR A 597 -0.616 -8.041 4.073 1.00 31.42 C ATOM 0 H THR A 597 0.683 -10.540 2.278 1.00 25.21 H new ATOM 0 HA THR A 597 1.824 -8.206 3.458 1.00 34.22 H new ATOM 0 HB THR A 597 0.398 -9.295 5.472 1.00 24.34 H new ATOM 0 HG1 THR A 597 -1.381 -10.470 4.492 1.00 54.35 H new ATOM 0 HG21 THR A 597 -1.569 -8.089 4.600 1.00 31.42 H new ATOM 0 HG22 THR A 597 -0.072 -7.149 4.386 1.00 31.42 H new ATOM 0 HG23 THR A 597 -0.797 -7.997 2.999 1.00 31.42 H new ATOM 550 N GLY A 598 3.219 -10.960 4.109 1.00 12.35 N ATOM 551 CA GLY A 598 4.247 -11.628 4.885 1.00 23.24 C ATOM 552 C GLY A 598 5.644 -11.314 4.388 1.00 71.21 C ATOM 553 O GLY A 598 6.590 -12.051 4.666 1.00 4.40 O ATOM 0 H GLY A 598 3.004 -11.400 3.214 1.00 12.35 H new ATOM 0 HA2 GLY A 598 4.161 -11.330 5.930 1.00 23.24 H new ATOM 0 HA3 GLY A 598 4.085 -12.705 4.847 1.00 23.24 H new ATOM 557 N ARG A 599 5.775 -10.217 3.648 1.00 25.34 N ATOM 558 CA ARG A 599 7.066 -9.809 3.109 1.00 23.13 C ATOM 559 C ARG A 599 7.242 -8.297 3.205 1.00 13.35 C ATOM 560 O ARG A 599 7.342 -7.608 2.190 1.00 54.12 O ATOM 561 CB ARG A 599 7.199 -10.258 1.652 1.00 51.23 C ATOM 562 CG ARG A 599 7.452 -11.747 1.494 1.00 32.41 C ATOM 563 CD ARG A 599 7.678 -12.122 0.037 1.00 63.24 C ATOM 564 NE ARG A 599 9.027 -12.634 -0.193 1.00 15.23 N ATOM 565 CZ ARG A 599 9.479 -13.000 -1.388 1.00 5.10 C ATOM 566 NH1 ARG A 599 8.695 -12.914 -2.453 1.00 52.40 N ATOM 567 NH2 ARG A 599 10.718 -13.456 -1.517 1.00 73.45 N ATOM 0 H ARG A 599 5.002 -9.595 3.409 1.00 25.34 H new ATOM 0 HA ARG A 599 7.846 -10.286 3.702 1.00 23.13 H new ATOM 0 HB2 ARG A 599 6.288 -9.994 1.115 1.00 51.23 H new ATOM 0 HB3 ARG A 599 8.016 -9.708 1.184 1.00 51.23 H new ATOM 0 HG2 ARG A 599 8.322 -12.034 2.084 1.00 32.41 H new ATOM 0 HG3 ARG A 599 6.602 -12.305 1.887 1.00 32.41 H new ATOM 0 HD2 ARG A 599 6.949 -12.875 -0.261 1.00 63.24 H new ATOM 0 HD3 ARG A 599 7.509 -11.248 -0.593 1.00 63.24 H new ATOM 0 HE ARG A 599 9.655 -12.715 0.606 1.00 15.23 H new ATOM 0 HH11 ARG A 599 7.741 -12.566 -2.357 1.00 52.40 H new ATOM 0 HH12 ARG A 599 9.046 -13.196 -3.368 1.00 52.40 H new ATOM 0 HH21 ARG A 599 11.324 -13.526 -0.699 1.00 73.45 H new ATOM 0 HH22 ARG A 599 11.065 -13.737 -2.434 1.00 73.45 H new ATOM 578 N TRP A 600 7.279 -7.787 4.431 1.00 4.22 N ATOM 579 CA TRP A 600 7.441 -6.356 4.659 1.00 70.33 C ATOM 580 C TRP A 600 8.761 -5.859 4.078 1.00 0.32 C ATOM 581 O TRP A 600 8.793 -4.873 3.341 1.00 5.25 O ATOM 582 CB TRP A 600 7.381 -6.048 6.157 1.00 34.35 C ATOM 583 CG TRP A 600 6.194 -6.655 6.841 1.00 62.41 C ATOM 584 CD1 TRP A 600 4.972 -6.913 6.288 1.00 34.53 C ATOM 585 CD2 TRP A 600 6.116 -7.078 8.206 1.00 3.45 C ATOM 586 NE1 TRP A 600 4.140 -7.471 7.226 1.00 1.53 N ATOM 587 CE2 TRP A 600 4.816 -7.584 8.412 1.00 72.22 C ATOM 588 CE3 TRP A 600 7.016 -7.082 9.274 1.00 43.44 C ATOM 589 CZ2 TRP A 600 4.399 -8.085 9.642 1.00 53.41 C ATOM 590 CZ3 TRP A 600 6.600 -7.579 10.495 1.00 72.14 C ATOM 591 CH2 TRP A 600 5.302 -8.076 10.670 1.00 0.12 C ATOM 0 H TRP A 600 7.199 -8.343 5.282 1.00 4.22 H new ATOM 0 HA TRP A 600 6.625 -5.838 4.155 1.00 70.33 H new ATOM 0 HB2 TRP A 600 8.291 -6.413 6.632 1.00 34.35 H new ATOM 0 HB3 TRP A 600 7.359 -4.967 6.298 1.00 34.35 H new ATOM 0 HD1 TRP A 600 4.700 -6.708 5.263 1.00 34.53 H new ATOM 0 HE1 TRP A 600 3.174 -7.756 7.066 1.00 1.53 H new ATOM 0 HE3 TRP A 600 8.020 -6.703 9.148 1.00 43.44 H new ATOM 0 HZ2 TRP A 600 3.398 -8.467 9.780 1.00 53.41 H new ATOM 0 HZ3 TRP A 600 7.287 -7.584 11.328 1.00 72.14 H new ATOM 0 HH2 TRP A 600 5.008 -8.460 11.636 1.00 0.12 H new ATOM 601 N ARG A 601 9.847 -6.548 4.414 1.00 53.14 N ATOM 602 CA ARG A 601 11.168 -6.174 3.926 1.00 72.31 C ATOM 603 C ARG A 601 11.171 -6.051 2.405 1.00 72.13 C ATOM 604 O ARG A 601 11.741 -5.112 1.849 1.00 54.14 O ATOM 605 CB ARG A 601 12.209 -7.205 4.366 1.00 21.13 C ATOM 606 CG ARG A 601 12.307 -7.365 5.874 1.00 60.50 C ATOM 607 CD ARG A 601 13.068 -6.212 6.508 1.00 61.33 C ATOM 608 NE ARG A 601 14.510 -6.442 6.510 1.00 11.05 N ATOM 609 CZ ARG A 601 15.116 -7.308 7.314 1.00 32.44 C ATOM 610 NH1 ARG A 601 14.408 -8.023 8.178 1.00 55.41 N ATOM 611 NH2 ARG A 601 16.433 -7.462 7.255 1.00 0.53 N ATOM 0 H ARG A 601 9.838 -7.367 5.022 1.00 53.14 H new ATOM 0 HA ARG A 601 11.424 -5.204 4.353 1.00 72.31 H new ATOM 0 HB2 ARG A 601 11.963 -8.170 3.922 1.00 21.13 H new ATOM 0 HB3 ARG A 601 13.184 -6.914 3.976 1.00 21.13 H new ATOM 0 HG2 ARG A 601 11.306 -7.420 6.301 1.00 60.50 H new ATOM 0 HG3 ARG A 601 12.806 -8.305 6.110 1.00 60.50 H new ATOM 0 HD2 ARG A 601 12.849 -5.292 5.966 1.00 61.33 H new ATOM 0 HD3 ARG A 601 12.722 -6.069 7.532 1.00 61.33 H new ATOM 0 HE ARG A 601 15.084 -5.908 5.858 1.00 11.05 H new ATOM 0 HH11 ARG A 601 13.396 -7.908 8.226 1.00 55.41 H new ATOM 0 HH12 ARG A 601 14.876 -8.687 8.794 1.00 55.41 H new ATOM 0 HH21 ARG A 601 16.981 -6.915 6.591 1.00 0.53 H new ATOM 0 HH22 ARG A 601 16.897 -8.128 7.873 1.00 0.53 H new ATOM 622 N ASP A 602 10.531 -7.005 1.738 1.00 72.02 N ATOM 623 CA ASP A 602 10.459 -7.002 0.282 1.00 21.44 C ATOM 624 C ASP A 602 9.608 -5.841 -0.219 1.00 3.11 C ATOM 625 O ASP A 602 9.843 -5.306 -1.303 1.00 44.01 O ATOM 626 CB ASP A 602 9.885 -8.327 -0.224 1.00 73.21 C ATOM 627 CG ASP A 602 10.533 -9.529 0.437 1.00 3.32 C ATOM 628 OD1 ASP A 602 10.275 -9.756 1.637 1.00 43.12 O ATOM 629 OD2 ASP A 602 11.297 -10.241 -0.246 1.00 32.41 O ATOM 0 H ASP A 602 10.055 -7.790 2.182 1.00 72.02 H new ATOM 0 HA ASP A 602 11.470 -6.880 -0.106 1.00 21.44 H new ATOM 0 HB2 ASP A 602 8.811 -8.349 -0.038 1.00 73.21 H new ATOM 0 HB3 ASP A 602 10.023 -8.391 -1.303 1.00 73.21 H new ATOM 633 N VAL A 603 8.615 -5.455 0.577 1.00 60.14 N ATOM 634 CA VAL A 603 7.728 -4.356 0.215 1.00 64.11 C ATOM 635 C VAL A 603 8.479 -3.031 0.184 1.00 51.43 C ATOM 636 O VAL A 603 8.187 -2.157 -0.633 1.00 75.25 O ATOM 637 CB VAL A 603 6.547 -4.242 1.198 1.00 34.45 C ATOM 638 CG1 VAL A 603 5.726 -2.996 0.903 1.00 40.44 C ATOM 639 CG2 VAL A 603 5.678 -5.489 1.133 1.00 62.41 C ATOM 0 H VAL A 603 8.405 -5.887 1.477 1.00 60.14 H new ATOM 0 HA VAL A 603 7.343 -4.575 -0.781 1.00 64.11 H new ATOM 0 HB VAL A 603 6.945 -4.156 2.209 1.00 34.45 H new ATOM 0 HG11 VAL A 603 4.896 -2.932 1.607 1.00 40.44 H new ATOM 0 HG12 VAL A 603 6.356 -2.113 1.004 1.00 40.44 H new ATOM 0 HG13 VAL A 603 5.336 -3.049 -0.113 1.00 40.44 H new ATOM 0 HG21 VAL A 603 4.849 -5.391 1.834 1.00 62.41 H new ATOM 0 HG22 VAL A 603 5.287 -5.608 0.122 1.00 62.41 H new ATOM 0 HG23 VAL A 603 6.275 -6.362 1.396 1.00 62.41 H new ATOM 649 N LYS A 604 9.450 -2.886 1.081 1.00 12.54 N ATOM 650 CA LYS A 604 10.246 -1.666 1.157 1.00 30.40 C ATOM 651 C LYS A 604 11.202 -1.566 -0.028 1.00 61.42 C ATOM 652 O LYS A 604 11.336 -0.508 -0.641 1.00 35.11 O ATOM 653 CB LYS A 604 11.035 -1.629 2.467 1.00 71.45 C ATOM 654 CG LYS A 604 11.502 -0.237 2.856 1.00 44.33 C ATOM 655 CD LYS A 604 10.388 0.562 3.511 1.00 24.11 C ATOM 656 CE LYS A 604 10.921 1.821 4.176 1.00 54.50 C ATOM 657 NZ LYS A 604 11.189 2.900 3.185 1.00 53.45 N ATOM 0 H LYS A 604 9.704 -3.598 1.765 1.00 12.54 H new ATOM 0 HA LYS A 604 9.566 -0.815 1.125 1.00 30.40 H new ATOM 0 HB2 LYS A 604 10.414 -2.032 3.267 1.00 71.45 H new ATOM 0 HB3 LYS A 604 11.903 -2.283 2.377 1.00 71.45 H new ATOM 0 HG2 LYS A 604 12.347 -0.314 3.540 1.00 44.33 H new ATOM 0 HG3 LYS A 604 11.856 0.290 1.970 1.00 44.33 H new ATOM 0 HD2 LYS A 604 9.644 0.832 2.762 1.00 24.11 H new ATOM 0 HD3 LYS A 604 9.883 -0.057 4.253 1.00 24.11 H new ATOM 0 HE2 LYS A 604 10.200 2.175 4.913 1.00 54.50 H new ATOM 0 HE3 LYS A 604 11.839 1.586 4.715 1.00 54.50 H new ATOM 0 HZ1 LYS A 604 11.020 3.826 3.626 1.00 53.45 H new ATOM 0 HZ2 LYS A 604 12.178 2.843 2.868 1.00 53.45 H new ATOM 0 HZ3 LYS A 604 10.557 2.785 2.367 1.00 53.45 H new ATOM 667 N MET A 605 11.863 -2.676 -0.345 1.00 13.31 N ATOM 668 CA MET A 605 12.804 -2.713 -1.458 1.00 55.43 C ATOM 669 C MET A 605 12.067 -2.684 -2.793 1.00 22.32 C ATOM 670 O MET A 605 12.574 -2.152 -3.781 1.00 54.33 O ATOM 671 CB MET A 605 13.680 -3.963 -1.371 1.00 34.23 C ATOM 672 CG MET A 605 14.621 -3.964 -0.177 1.00 33.44 C ATOM 673 SD MET A 605 16.259 -3.327 -0.583 1.00 14.01 S ATOM 674 CE MET A 605 17.060 -4.812 -1.185 1.00 0.34 C ATOM 0 H MET A 605 11.764 -3.560 0.153 1.00 13.31 H new ATOM 0 HA MET A 605 13.439 -1.829 -1.395 1.00 55.43 H new ATOM 0 HB2 MET A 605 13.039 -4.843 -1.319 1.00 34.23 H new ATOM 0 HB3 MET A 605 14.267 -4.050 -2.286 1.00 34.23 H new ATOM 0 HG2 MET A 605 14.189 -3.361 0.622 1.00 33.44 H new ATOM 0 HG3 MET A 605 14.715 -4.980 0.206 1.00 33.44 H new ATOM 0 HE1 MET A 605 18.084 -4.580 -1.476 1.00 0.34 H new ATOM 0 HE2 MET A 605 17.068 -5.566 -0.398 1.00 0.34 H new ATOM 0 HE3 MET A 605 16.515 -5.195 -2.048 1.00 0.34 H new ATOM 682 N ARG A 606 10.870 -3.261 -2.816 1.00 62.51 N ATOM 683 CA ARG A 606 10.066 -3.304 -4.032 1.00 40.22 C ATOM 684 C ARG A 606 9.393 -1.957 -4.286 1.00 75.34 C ATOM 685 O ARG A 606 9.324 -1.493 -5.423 1.00 55.10 O ATOM 686 CB ARG A 606 9.007 -4.402 -3.930 1.00 63.13 C ATOM 687 CG ARG A 606 7.985 -4.369 -5.053 1.00 4.23 C ATOM 688 CD ARG A 606 7.664 -5.769 -5.556 1.00 34.12 C ATOM 689 NE ARG A 606 8.851 -6.453 -6.061 1.00 23.43 N ATOM 690 CZ ARG A 606 9.401 -6.197 -7.242 1.00 73.04 C ATOM 691 NH1 ARG A 606 8.875 -5.274 -8.036 1.00 52.32 N ATOM 692 NH2 ARG A 606 10.481 -6.862 -7.631 1.00 4.04 N ATOM 0 H ARG A 606 10.436 -3.705 -2.007 1.00 62.51 H new ATOM 0 HA ARG A 606 10.729 -3.524 -4.868 1.00 40.22 H new ATOM 0 HB2 ARG A 606 9.502 -5.373 -3.929 1.00 63.13 H new ATOM 0 HB3 ARG A 606 8.489 -4.307 -2.976 1.00 63.13 H new ATOM 0 HG2 ARG A 606 7.072 -3.889 -4.701 1.00 4.23 H new ATOM 0 HG3 ARG A 606 8.366 -3.764 -5.876 1.00 4.23 H new ATOM 0 HD2 ARG A 606 7.225 -6.353 -4.747 1.00 34.12 H new ATOM 0 HD3 ARG A 606 6.917 -5.708 -6.347 1.00 34.12 H new ATOM 0 HE ARG A 606 9.282 -7.167 -5.474 1.00 23.43 H new ATOM 0 HH11 ARG A 606 8.046 -4.759 -7.740 1.00 52.32 H new ATOM 0 HH12 ARG A 606 9.300 -5.079 -8.943 1.00 52.32 H new ATOM 0 HH21 ARG A 606 10.890 -7.571 -7.023 1.00 4.04 H new ATOM 0 HH22 ARG A 606 10.902 -6.664 -8.539 1.00 4.04 H new ATOM 703 N ALA A 607 8.901 -1.336 -3.219 1.00 74.40 N ATOM 704 CA ALA A 607 8.237 -0.043 -3.326 1.00 73.42 C ATOM 705 C ALA A 607 9.245 1.099 -3.249 1.00 1.55 C ATOM 706 O ALA A 607 9.508 1.775 -4.244 1.00 73.20 O ATOM 707 CB ALA A 607 7.186 0.102 -2.236 1.00 50.42 C ATOM 0 H ALA A 607 8.950 -1.708 -2.270 1.00 74.40 H new ATOM 0 HA ALA A 607 7.745 0.007 -4.297 1.00 73.42 H new ATOM 0 HB1 ALA A 607 6.698 1.072 -2.328 1.00 50.42 H new ATOM 0 HB2 ALA A 607 6.443 -0.689 -2.339 1.00 50.42 H new ATOM 0 HB3 ALA A 607 7.663 0.027 -1.259 1.00 50.42 H new ATOM 713 N PHE A 608 9.803 1.310 -2.062 1.00 32.12 N ATOM 714 CA PHE A 608 10.780 2.373 -1.856 1.00 41.02 C ATOM 715 C PHE A 608 12.104 2.034 -2.535 1.00 13.23 C ATOM 716 O PHE A 608 12.667 0.961 -2.321 1.00 3.31 O ATOM 717 CB PHE A 608 11.005 2.603 -0.360 1.00 75.42 C ATOM 718 CG PHE A 608 9.810 3.177 0.346 1.00 20.14 C ATOM 719 CD1 PHE A 608 8.790 2.351 0.790 1.00 41.13 C ATOM 720 CD2 PHE A 608 9.705 4.541 0.563 1.00 33.43 C ATOM 721 CE1 PHE A 608 7.689 2.875 1.440 1.00 3.40 C ATOM 722 CE2 PHE A 608 8.607 5.071 1.212 1.00 4.41 C ATOM 723 CZ PHE A 608 7.597 4.237 1.650 1.00 2.41 C ATOM 0 H PHE A 608 9.596 0.760 -1.229 1.00 32.12 H new ATOM 0 HA PHE A 608 10.387 3.286 -2.303 1.00 41.02 H new ATOM 0 HB2 PHE A 608 11.273 1.656 0.108 1.00 75.42 H new ATOM 0 HB3 PHE A 608 11.853 3.275 -0.228 1.00 75.42 H new ATOM 0 HD1 PHE A 608 8.856 1.286 0.626 1.00 41.13 H new ATOM 0 HD2 PHE A 608 10.491 5.198 0.221 1.00 33.43 H new ATOM 0 HE1 PHE A 608 6.902 2.220 1.783 1.00 3.40 H new ATOM 0 HE2 PHE A 608 8.538 6.136 1.377 1.00 4.41 H new ATOM 0 HZ PHE A 608 6.737 4.649 2.156 1.00 2.41 H new ATOM 828 N TYR A 616 11.313 -0.873 8.474 1.00 2.11 N ATOM 829 CA TYR A 616 10.207 -1.473 7.737 1.00 33.10 C ATOM 830 C TYR A 616 8.866 -1.059 8.335 1.00 60.34 C ATOM 831 O TYR A 616 7.807 -1.469 7.858 1.00 54.02 O ATOM 832 CB TYR A 616 10.332 -2.998 7.741 1.00 44.34 C ATOM 833 CG TYR A 616 10.428 -3.594 9.127 1.00 42.24 C ATOM 834 CD1 TYR A 616 9.312 -3.666 9.952 1.00 43.15 C ATOM 835 CD2 TYR A 616 11.634 -4.083 9.613 1.00 43.13 C ATOM 836 CE1 TYR A 616 9.394 -4.209 11.220 1.00 51.21 C ATOM 837 CE2 TYR A 616 11.726 -4.629 10.878 1.00 5.31 C ATOM 838 CZ TYR A 616 10.603 -4.690 11.678 1.00 50.35 C ATOM 839 OH TYR A 616 10.691 -5.231 12.941 1.00 32.33 O ATOM 0 HA TYR A 616 10.251 -1.114 6.709 1.00 33.10 H new ATOM 0 HB2 TYR A 616 9.470 -3.426 7.229 1.00 44.34 H new ATOM 0 HB3 TYR A 616 11.216 -3.283 7.170 1.00 44.34 H new ATOM 0 HD1 TYR A 616 8.364 -3.291 9.596 1.00 43.15 H new ATOM 0 HD2 TYR A 616 12.515 -4.035 8.990 1.00 43.13 H new ATOM 0 HE1 TYR A 616 8.517 -4.257 11.849 1.00 51.21 H new ATOM 0 HE2 TYR A 616 12.671 -5.006 11.239 1.00 5.31 H new ATOM 0 HH TYR A 616 11.611 -5.524 13.108 1.00 32.33 H new ATOM 848 N VAL A 617 8.919 -0.243 9.383 1.00 21.22 N ATOM 849 CA VAL A 617 7.709 0.229 10.046 1.00 63.53 C ATOM 850 C VAL A 617 6.968 1.240 9.180 1.00 1.43 C ATOM 851 O VAL A 617 5.738 1.304 9.198 1.00 23.03 O ATOM 852 CB VAL A 617 8.031 0.873 11.408 1.00 13.20 C ATOM 853 CG1 VAL A 617 8.922 2.093 11.224 1.00 25.32 C ATOM 854 CG2 VAL A 617 6.749 1.244 12.137 1.00 51.31 C ATOM 0 H VAL A 617 9.787 0.105 9.791 1.00 21.22 H new ATOM 0 HA VAL A 617 7.074 -0.642 10.206 1.00 63.53 H new ATOM 0 HB VAL A 617 8.571 0.147 12.016 1.00 13.20 H new ATOM 0 HG11 VAL A 617 9.139 2.535 12.196 1.00 25.32 H new ATOM 0 HG12 VAL A 617 9.854 1.794 10.745 1.00 25.32 H new ATOM 0 HG13 VAL A 617 8.412 2.825 10.598 1.00 25.32 H new ATOM 0 HG21 VAL A 617 6.995 1.698 13.097 1.00 51.31 H new ATOM 0 HG22 VAL A 617 6.181 1.953 11.535 1.00 51.31 H new ATOM 0 HG23 VAL A 617 6.152 0.347 12.302 1.00 51.31 H new ATOM 864 N ASP A 618 7.721 2.029 8.423 1.00 60.04 N ATOM 865 CA ASP A 618 7.135 3.037 7.548 1.00 32.22 C ATOM 866 C ASP A 618 6.148 2.403 6.573 1.00 63.44 C ATOM 867 O ASP A 618 5.012 2.859 6.439 1.00 31.24 O ATOM 868 CB ASP A 618 8.231 3.773 6.776 1.00 73.03 C ATOM 869 CG ASP A 618 8.395 5.210 7.232 1.00 1.30 C ATOM 870 OD1 ASP A 618 7.367 5.867 7.501 1.00 50.30 O ATOM 871 OD2 ASP A 618 9.549 5.679 7.317 1.00 64.45 O ATOM 0 H ASP A 618 8.740 1.990 8.398 1.00 60.04 H new ATOM 0 HA ASP A 618 6.596 3.752 8.169 1.00 32.22 H new ATOM 0 HB2 ASP A 618 9.176 3.245 6.901 1.00 73.03 H new ATOM 0 HB3 ASP A 618 7.995 3.757 5.712 1.00 73.03 H new ATOM 875 N LEU A 619 6.590 1.350 5.893 1.00 45.51 N ATOM 876 CA LEU A 619 5.745 0.652 4.930 1.00 14.40 C ATOM 877 C LEU A 619 4.584 -0.047 5.628 1.00 61.02 C ATOM 878 O LEU A 619 3.518 -0.239 5.044 1.00 34.23 O ATOM 879 CB LEU A 619 6.570 -0.366 4.142 1.00 54.23 C ATOM 880 CG LEU A 619 6.753 -1.734 4.800 1.00 60.33 C ATOM 881 CD1 LEU A 619 5.665 -2.695 4.346 1.00 74.13 C ATOM 882 CD2 LEU A 619 8.132 -2.298 4.484 1.00 50.42 C ATOM 0 H LEU A 619 7.528 0.961 5.991 1.00 45.51 H new ATOM 0 HA LEU A 619 5.336 1.391 4.241 1.00 14.40 H new ATOM 0 HB2 LEU A 619 6.098 -0.512 3.170 1.00 54.23 H new ATOM 0 HB3 LEU A 619 7.556 0.061 3.956 1.00 54.23 H new ATOM 0 HG LEU A 619 6.672 -1.610 5.880 1.00 60.33 H new ATOM 0 HD11 LEU A 619 5.812 -3.663 4.825 1.00 74.13 H new ATOM 0 HD12 LEU A 619 4.689 -2.297 4.624 1.00 74.13 H new ATOM 0 HD13 LEU A 619 5.713 -2.814 3.264 1.00 74.13 H new ATOM 0 HD21 LEU A 619 8.245 -3.272 4.960 1.00 50.42 H new ATOM 0 HD22 LEU A 619 8.242 -2.407 3.405 1.00 50.42 H new ATOM 0 HD23 LEU A 619 8.898 -1.619 4.860 1.00 50.42 H new ATOM 893 N LYS A 620 4.798 -0.426 6.884 1.00 33.12 N ATOM 894 CA LYS A 620 3.769 -1.102 7.665 1.00 61.00 C ATOM 895 C LYS A 620 2.609 -0.159 7.970 1.00 34.12 C ATOM 896 O LYS A 620 1.451 -0.576 8.011 1.00 60.23 O ATOM 897 CB LYS A 620 4.361 -1.637 8.971 1.00 61.02 C ATOM 898 CG LYS A 620 5.015 -3.001 8.828 1.00 55.15 C ATOM 899 CD LYS A 620 5.657 -3.451 10.130 1.00 75.21 C ATOM 900 CE LYS A 620 4.653 -4.147 11.036 1.00 13.21 C ATOM 901 NZ LYS A 620 5.292 -4.671 12.273 1.00 71.44 N ATOM 0 H LYS A 620 5.675 -0.276 7.383 1.00 33.12 H new ATOM 0 HA LYS A 620 3.390 -1.937 7.075 1.00 61.00 H new ATOM 0 HB2 LYS A 620 5.099 -0.927 9.344 1.00 61.02 H new ATOM 0 HB3 LYS A 620 3.571 -1.699 9.720 1.00 61.02 H new ATOM 0 HG2 LYS A 620 4.269 -3.732 8.517 1.00 55.15 H new ATOM 0 HG3 LYS A 620 5.770 -2.963 8.043 1.00 55.15 H new ATOM 0 HD2 LYS A 620 6.484 -4.128 9.914 1.00 75.21 H new ATOM 0 HD3 LYS A 620 6.078 -2.588 10.647 1.00 75.21 H new ATOM 0 HE2 LYS A 620 3.861 -3.448 11.305 1.00 13.21 H new ATOM 0 HE3 LYS A 620 4.183 -4.968 10.494 1.00 13.21 H new ATOM 0 HZ1 LYS A 620 4.563 -4.842 12.995 1.00 71.44 H new ATOM 0 HZ2 LYS A 620 5.784 -5.562 12.059 1.00 71.44 H new ATOM 0 HZ3 LYS A 620 5.977 -3.975 12.631 1.00 71.44 H new ATOM 911 N ASP A 621 2.927 1.114 8.181 1.00 24.43 N ATOM 912 CA ASP A 621 1.912 2.117 8.479 1.00 1.25 C ATOM 913 C ASP A 621 1.076 2.429 7.241 1.00 40.13 C ATOM 914 O ASP A 621 -0.154 2.424 7.290 1.00 61.53 O ATOM 915 CB ASP A 621 2.565 3.396 9.004 1.00 31.22 C ATOM 916 CG ASP A 621 2.703 3.398 10.514 1.00 0.54 C ATOM 917 OD1 ASP A 621 1.825 2.820 11.190 1.00 12.13 O ATOM 918 OD2 ASP A 621 3.685 3.978 11.020 1.00 73.24 O ATOM 0 H ASP A 621 3.880 1.475 8.151 1.00 24.43 H new ATOM 0 HA ASP A 621 1.254 1.713 9.248 1.00 1.25 H new ATOM 0 HB2 ASP A 621 3.550 3.509 8.552 1.00 31.22 H new ATOM 0 HB3 ASP A 621 1.972 4.257 8.695 1.00 31.22 H new ATOM 922 N LYS A 622 1.753 2.702 6.130 1.00 70.14 N ATOM 923 CA LYS A 622 1.075 3.017 4.879 1.00 72.13 C ATOM 924 C LYS A 622 0.093 1.913 4.500 1.00 33.02 C ATOM 925 O LYS A 622 -1.020 2.189 4.052 1.00 25.42 O ATOM 926 CB LYS A 622 2.098 3.212 3.756 1.00 71.12 C ATOM 927 CG LYS A 622 2.919 4.482 3.897 1.00 32.15 C ATOM 928 CD LYS A 622 3.123 5.165 2.554 1.00 0.22 C ATOM 929 CE LYS A 622 4.022 4.344 1.642 1.00 13.43 C ATOM 930 NZ LYS A 622 4.648 5.181 0.581 1.00 53.22 N ATOM 0 H LYS A 622 2.771 2.711 6.071 1.00 70.14 H new ATOM 0 HA LYS A 622 0.517 3.943 5.020 1.00 72.13 H new ATOM 0 HB2 LYS A 622 2.771 2.355 3.735 1.00 71.12 H new ATOM 0 HB3 LYS A 622 1.576 3.231 2.799 1.00 71.12 H new ATOM 0 HG2 LYS A 622 2.418 5.166 4.582 1.00 32.15 H new ATOM 0 HG3 LYS A 622 3.888 4.244 4.336 1.00 32.15 H new ATOM 0 HD2 LYS A 622 2.157 5.319 2.072 1.00 0.22 H new ATOM 0 HD3 LYS A 622 3.562 6.150 2.709 1.00 0.22 H new ATOM 0 HE2 LYS A 622 4.802 3.866 2.235 1.00 13.43 H new ATOM 0 HE3 LYS A 622 3.440 3.547 1.180 1.00 13.43 H new ATOM 0 HZ1 LYS A 622 4.337 4.847 -0.353 1.00 53.22 H new ATOM 0 HZ2 LYS A 622 4.362 6.173 0.707 1.00 53.22 H new ATOM 0 HZ3 LYS A 622 5.683 5.108 0.647 1.00 53.22 H new ATOM 940 N TRP A 623 0.512 0.667 4.682 1.00 61.41 N ATOM 941 CA TRP A 623 -0.333 -0.478 4.360 1.00 73.32 C ATOM 942 C TRP A 623 -1.515 -0.569 5.318 1.00 53.32 C ATOM 943 O TRP A 623 -2.663 -0.703 4.893 1.00 64.50 O ATOM 944 CB TRP A 623 0.483 -1.771 4.414 1.00 61.30 C ATOM 945 CG TRP A 623 -0.309 -2.955 4.879 1.00 4.52 C ATOM 946 CD1 TRP A 623 -1.425 -3.477 4.289 1.00 11.52 C ATOM 947 CD2 TRP A 623 -0.048 -3.762 6.032 1.00 4.00 C ATOM 948 NE1 TRP A 623 -1.874 -4.561 5.006 1.00 55.42 N ATOM 949 CE2 TRP A 623 -1.045 -4.757 6.079 1.00 12.21 C ATOM 950 CE3 TRP A 623 0.932 -3.744 7.027 1.00 41.33 C ATOM 951 CZ2 TRP A 623 -1.089 -5.719 7.083 1.00 64.25 C ATOM 952 CZ3 TRP A 623 0.887 -4.701 8.024 1.00 51.13 C ATOM 953 CH2 TRP A 623 -0.117 -5.677 8.045 1.00 64.42 C ATOM 0 H TRP A 623 1.431 0.423 5.051 1.00 61.41 H new ATOM 0 HA TRP A 623 -0.718 -0.341 3.350 1.00 73.32 H new ATOM 0 HB2 TRP A 623 0.886 -1.979 3.423 1.00 61.30 H new ATOM 0 HB3 TRP A 623 1.334 -1.628 5.080 1.00 61.30 H new ATOM 0 HD1 TRP A 623 -1.887 -3.094 3.391 1.00 11.52 H new ATOM 0 HE1 TRP A 623 -2.691 -5.127 4.776 1.00 55.42 H new ATOM 0 HE3 TRP A 623 1.711 -2.996 7.018 1.00 41.33 H new ATOM 0 HZ2 TRP A 623 -1.863 -6.472 7.102 1.00 64.25 H new ATOM 0 HZ3 TRP A 623 1.639 -4.696 8.799 1.00 51.13 H new ATOM 0 HH2 TRP A 623 -0.124 -6.412 8.837 1.00 64.42 H new ATOM 963 N LYS A 624 -1.229 -0.493 6.614 1.00 13.02 N ATOM 964 CA LYS A 624 -2.269 -0.565 7.633 1.00 33.11 C ATOM 965 C LYS A 624 -3.378 0.443 7.350 1.00 42.34 C ATOM 966 O LYS A 624 -4.555 0.085 7.280 1.00 73.04 O ATOM 967 CB LYS A 624 -1.673 -0.308 9.019 1.00 22.33 C ATOM 968 CG LYS A 624 -2.434 -0.987 10.143 1.00 62.34 C ATOM 969 CD LYS A 624 -2.417 -0.152 11.413 1.00 35.41 C ATOM 970 CE LYS A 624 -1.295 -0.579 12.346 1.00 42.14 C ATOM 971 NZ LYS A 624 -1.677 -1.761 13.169 1.00 54.41 N ATOM 0 H LYS A 624 -0.285 -0.381 6.983 1.00 13.02 H new ATOM 0 HA LYS A 624 -2.698 -1.567 7.609 1.00 33.11 H new ATOM 0 HB2 LYS A 624 -0.639 -0.654 9.031 1.00 22.33 H new ATOM 0 HB3 LYS A 624 -1.652 0.766 9.203 1.00 22.33 H new ATOM 0 HG2 LYS A 624 -3.465 -1.159 9.833 1.00 62.34 H new ATOM 0 HG3 LYS A 624 -1.994 -1.964 10.343 1.00 62.34 H new ATOM 0 HD2 LYS A 624 -2.297 0.900 11.156 1.00 35.41 H new ATOM 0 HD3 LYS A 624 -3.374 -0.248 11.926 1.00 35.41 H new ATOM 0 HE2 LYS A 624 -0.406 -0.816 11.761 1.00 42.14 H new ATOM 0 HE3 LYS A 624 -1.033 0.251 13.002 1.00 42.14 H new ATOM 0 HZ1 LYS A 624 -0.886 -2.021 13.792 1.00 54.41 H new ATOM 0 HZ2 LYS A 624 -2.510 -1.527 13.747 1.00 54.41 H new ATOM 0 HZ3 LYS A 624 -1.903 -2.561 12.544 1.00 54.41 H new ATOM 981 N THR A 625 -2.996 1.706 7.187 1.00 55.31 N ATOM 982 CA THR A 625 -3.957 2.766 6.912 1.00 2.34 C ATOM 983 C THR A 625 -4.683 2.522 5.594 1.00 43.33 C ATOM 984 O THR A 625 -5.833 2.931 5.421 1.00 61.42 O ATOM 985 CB THR A 625 -3.274 4.146 6.860 1.00 4.20 C ATOM 986 OG1 THR A 625 -4.261 5.178 6.756 1.00 32.31 O ATOM 987 CG2 THR A 625 -2.317 4.231 5.682 1.00 14.00 C ATOM 0 H THR A 625 -2.027 2.019 7.241 1.00 55.31 H new ATOM 0 HA THR A 625 -4.678 2.757 7.729 1.00 2.34 H new ATOM 0 HB THR A 625 -2.705 4.281 7.780 1.00 4.20 H new ATOM 0 HG1 THR A 625 -3.819 6.052 6.725 1.00 32.31 H new ATOM 0 HG21 THR A 625 -1.847 5.214 5.666 1.00 14.00 H new ATOM 0 HG22 THR A 625 -1.550 3.463 5.780 1.00 14.00 H new ATOM 0 HG23 THR A 625 -2.868 4.077 4.754 1.00 14.00 H new ATOM 995 N LEU A 626 -4.007 1.852 4.667 1.00 62.21 N ATOM 996 CA LEU A 626 -4.588 1.551 3.363 1.00 52.43 C ATOM 997 C LEU A 626 -5.810 0.648 3.506 1.00 72.25 C ATOM 998 O LEU A 626 -6.892 0.968 3.015 1.00 3.01 O ATOM 999 CB LEU A 626 -3.549 0.884 2.461 1.00 22.01 C ATOM 1000 CG LEU A 626 -3.384 1.488 1.066 1.00 3.30 C ATOM 1001 CD1 LEU A 626 -2.205 0.853 0.345 1.00 12.30 C ATOM 1002 CD2 LEU A 626 -4.662 1.316 0.257 1.00 35.31 C ATOM 0 H LEU A 626 -3.056 1.507 4.794 1.00 62.21 H new ATOM 0 HA LEU A 626 -4.905 2.490 2.909 1.00 52.43 H new ATOM 0 HB2 LEU A 626 -2.584 0.918 2.966 1.00 22.01 H new ATOM 0 HB3 LEU A 626 -3.814 -0.167 2.351 1.00 22.01 H new ATOM 0 HG LEU A 626 -3.186 2.554 1.173 1.00 3.30 H new ATOM 0 HD11 LEU A 626 -2.103 1.295 -0.646 1.00 12.30 H new ATOM 0 HD12 LEU A 626 -1.293 1.027 0.916 1.00 12.30 H new ATOM 0 HD13 LEU A 626 -2.373 -0.220 0.248 1.00 12.30 H new ATOM 0 HD21 LEU A 626 -4.527 1.751 -0.733 1.00 35.31 H new ATOM 0 HD22 LEU A 626 -4.890 0.255 0.159 1.00 35.31 H new ATOM 0 HD23 LEU A 626 -5.485 1.819 0.765 1.00 35.31 H new ATOM 1013 N VAL A 627 -5.628 -0.480 4.185 1.00 13.14 N ATOM 1014 CA VAL A 627 -6.715 -1.428 4.397 1.00 33.14 C ATOM 1015 C VAL A 627 -7.877 -0.776 5.138 1.00 13.45 C ATOM 1016 O VAL A 627 -9.017 -0.800 4.671 1.00 71.22 O ATOM 1017 CB VAL A 627 -6.240 -2.659 5.190 1.00 64.41 C ATOM 1018 CG1 VAL A 627 -7.425 -3.521 5.599 1.00 60.32 C ATOM 1019 CG2 VAL A 627 -5.240 -3.465 4.376 1.00 22.04 C ATOM 0 H VAL A 627 -4.738 -0.760 4.598 1.00 13.14 H new ATOM 0 HA VAL A 627 -7.051 -1.749 3.411 1.00 33.14 H new ATOM 0 HB VAL A 627 -5.742 -2.315 6.096 1.00 64.41 H new ATOM 0 HG11 VAL A 627 -7.070 -4.386 6.158 1.00 60.32 H new ATOM 0 HG12 VAL A 627 -8.101 -2.937 6.224 1.00 60.32 H new ATOM 0 HG13 VAL A 627 -7.955 -3.858 4.708 1.00 60.32 H new ATOM 0 HG21 VAL A 627 -4.915 -4.331 4.953 1.00 22.04 H new ATOM 0 HG22 VAL A 627 -5.710 -3.800 3.451 1.00 22.04 H new ATOM 0 HG23 VAL A 627 -4.377 -2.842 4.140 1.00 22.04 H new ATOM 1029 N HIS A 628 -7.581 -0.192 6.294 1.00 30.41 N ATOM 1030 CA HIS A 628 -8.601 0.468 7.100 1.00 50.21 C ATOM 1031 C HIS A 628 -9.372 1.490 6.271 1.00 12.03 C ATOM 1032 O HIS A 628 -10.544 1.763 6.534 1.00 73.34 O ATOM 1033 CB HIS A 628 -7.962 1.152 8.309 1.00 55.21 C ATOM 1034 CG HIS A 628 -7.725 0.229 9.465 1.00 15.13 C ATOM 1035 ND1 HIS A 628 -7.484 -1.120 9.313 1.00 75.34 N ATOM 1036 CD2 HIS A 628 -7.691 0.469 10.796 1.00 3.43 C ATOM 1037 CE1 HIS A 628 -7.313 -1.671 10.501 1.00 53.21 C ATOM 1038 NE2 HIS A 628 -7.434 -0.727 11.419 1.00 23.53 N ATOM 0 H HIS A 628 -6.643 -0.162 6.694 1.00 30.41 H new ATOM 0 HA HIS A 628 -9.300 -0.292 7.449 1.00 50.21 H new ATOM 0 HB2 HIS A 628 -7.012 1.593 8.006 1.00 55.21 H new ATOM 0 HB3 HIS A 628 -8.604 1.971 8.634 1.00 55.21 H new ATOM 0 HD2 HIS A 628 -7.839 1.424 11.279 1.00 3.43 H new ATOM 0 HE1 HIS A 628 -7.109 -2.715 10.690 1.00 53.21 H new ATOM 0 HE2 HIS A 628 -7.350 -0.865 12.426 1.00 23.53 H new ATOM 1045 N THR A 629 -8.706 2.053 5.267 1.00 51.54 N ATOM 1046 CA THR A 629 -9.328 3.046 4.400 1.00 55.25 C ATOM 1047 C THR A 629 -10.305 2.395 3.430 1.00 33.44 C ATOM 1048 O THR A 629 -11.291 3.007 3.022 1.00 50.22 O ATOM 1049 CB THR A 629 -8.272 3.832 3.599 1.00 30.34 C ATOM 1050 OG1 THR A 629 -7.511 4.668 4.478 1.00 14.12 O ATOM 1051 CG2 THR A 629 -8.932 4.683 2.524 1.00 73.41 C ATOM 0 H THR A 629 -7.736 1.838 5.035 1.00 51.54 H new ATOM 0 HA THR A 629 -9.870 3.736 5.047 1.00 55.25 H new ATOM 0 HB THR A 629 -7.607 3.116 3.116 1.00 30.34 H new ATOM 0 HG1 THR A 629 -6.760 4.157 4.847 1.00 14.12 H new ATOM 0 HG21 THR A 629 -8.167 5.229 1.971 1.00 73.41 H new ATOM 0 HG22 THR A 629 -9.485 4.040 1.839 1.00 73.41 H new ATOM 0 HG23 THR A 629 -9.617 5.391 2.990 1.00 73.41 H new ATOM 1059 N ALA A 630 -10.025 1.149 3.063 1.00 21.20 N ATOM 1060 CA ALA A 630 -10.881 0.412 2.141 1.00 50.13 C ATOM 1061 C ALA A 630 -12.326 0.396 2.630 1.00 23.42 C ATOM 1062 O ALA A 630 -13.250 0.706 1.877 1.00 72.34 O ATOM 1063 CB ALA A 630 -10.366 -1.008 1.962 1.00 53.24 C ATOM 0 H ALA A 630 -9.211 0.628 3.390 1.00 21.20 H new ATOM 0 HA ALA A 630 -10.856 0.919 1.176 1.00 50.13 H new ATOM 0 HB1 ALA A 630 -11.015 -1.546 1.271 1.00 53.24 H new ATOM 0 HB2 ALA A 630 -9.353 -0.980 1.561 1.00 53.24 H new ATOM 0 HB3 ALA A 630 -10.360 -1.517 2.926 1.00 53.24 H new ATOM 1069 N SER A 631 -12.514 0.029 3.893 1.00 62.00 N ATOM 1070 CA SER A 631 -13.846 -0.033 4.481 1.00 5.35 C ATOM 1071 C SER A 631 -13.796 -0.639 5.880 1.00 0.21 C ATOM 1072 O SER A 631 -14.279 -1.750 6.105 1.00 21.23 O ATOM 1073 CB SER A 631 -14.782 -0.854 3.591 1.00 71.23 C ATOM 1074 OG SER A 631 -15.965 -1.210 4.285 1.00 2.11 O ATOM 0 H SER A 631 -11.760 -0.230 4.529 1.00 62.00 H new ATOM 0 HA SER A 631 -14.229 0.985 4.559 1.00 5.35 H new ATOM 0 HB2 SER A 631 -15.038 -0.280 2.700 1.00 71.23 H new ATOM 0 HB3 SER A 631 -14.270 -1.755 3.253 1.00 71.23 H new ATOM 0 HG SER A 631 -15.741 -1.808 5.028 1.00 2.11 H new ATOM 1079 N ILE A 632 -13.210 0.098 6.817 1.00 74.41 N ATOM 1080 CA ILE A 632 -13.096 -0.366 8.194 1.00 43.40 C ATOM 1081 C ILE A 632 -13.588 0.695 9.173 1.00 51.21 C ATOM 1082 O ILE A 632 -14.684 0.588 9.721 1.00 1.52 O ATOM 1083 CB ILE A 632 -11.643 -0.738 8.545 1.00 23.12 C ATOM 1084 CG1 ILE A 632 -11.244 -2.038 7.843 1.00 40.22 C ATOM 1085 CG2 ILE A 632 -11.480 -0.871 10.052 1.00 33.11 C ATOM 1086 CD1 ILE A 632 -11.020 -1.878 6.356 1.00 42.30 C ATOM 0 H ILE A 632 -12.807 1.019 6.648 1.00 74.41 H new ATOM 0 HA ILE A 632 -13.720 -1.255 8.280 1.00 43.40 H new ATOM 0 HB ILE A 632 -10.984 0.058 8.197 1.00 23.12 H new ATOM 0 HG12 ILE A 632 -10.332 -2.423 8.300 1.00 40.22 H new ATOM 0 HG13 ILE A 632 -12.022 -2.783 8.007 1.00 40.22 H new ATOM 0 HG21 ILE A 632 -10.448 -1.134 10.285 1.00 33.11 H new ATOM 0 HG22 ILE A 632 -11.729 0.076 10.530 1.00 33.11 H new ATOM 0 HG23 ILE A 632 -12.146 -1.651 10.423 1.00 33.11 H new ATOM 0 HD11 ILE A 632 -10.740 -2.839 5.925 1.00 42.30 H new ATOM 0 HD12 ILE A 632 -11.937 -1.523 5.886 1.00 42.30 H new ATOM 0 HD13 ILE A 632 -10.221 -1.157 6.184 1.00 42.30 H new ATOM 1097 N ALA A 633 -12.769 1.720 9.388 1.00 32.25 N ATOM 1098 CA ALA A 633 -13.123 2.802 10.297 1.00 75.21 C ATOM 1099 C ALA A 633 -13.551 4.048 9.528 1.00 45.03 C ATOM 1100 O ALA A 633 -13.001 4.377 8.477 1.00 75.12 O ATOM 1101 CB ALA A 633 -11.952 3.123 11.216 1.00 34.34 C ATOM 0 H ALA A 633 -11.856 1.823 8.945 1.00 32.25 H new ATOM 0 HA ALA A 633 -13.967 2.473 10.903 1.00 75.21 H new ATOM 0 HB1 ALA A 633 -12.230 3.933 11.890 1.00 34.34 H new ATOM 0 HB2 ALA A 633 -11.694 2.239 11.799 1.00 34.34 H new ATOM 0 HB3 ALA A 633 -11.093 3.427 10.618 1.00 34.34 H new ATOM 1210 N PRO A 641 -9.487 11.826 -2.167 1.00 2.43 N ATOM 1211 CA PRO A 641 -10.181 10.705 -2.810 1.00 73.43 C ATOM 1212 C PRO A 641 -9.232 9.566 -3.165 1.00 23.21 C ATOM 1213 O PRO A 641 -8.265 9.756 -3.904 1.00 2.41 O ATOM 1214 CB PRO A 641 -10.765 11.330 -4.079 1.00 22.42 C ATOM 1215 CG PRO A 641 -9.880 12.492 -4.371 1.00 3.22 C ATOM 1216 CD PRO A 641 -9.427 13.014 -3.036 1.00 73.51 C ATOM 0 HA PRO A 641 -10.930 10.259 -2.156 1.00 73.43 H new ATOM 0 HB2 PRO A 641 -10.769 10.618 -4.905 1.00 22.42 H new ATOM 0 HB3 PRO A 641 -11.797 11.647 -3.926 1.00 22.42 H new ATOM 0 HG2 PRO A 641 -9.029 12.190 -4.981 1.00 3.22 H new ATOM 0 HG3 PRO A 641 -10.416 13.260 -4.929 1.00 3.22 H new ATOM 0 HD2 PRO A 641 -8.419 13.425 -3.086 1.00 73.51 H new ATOM 0 HD3 PRO A 641 -10.078 13.810 -2.674 1.00 73.51 H new ATOM 1221 N VAL A 642 -9.515 8.379 -2.635 1.00 55.10 N ATOM 1222 CA VAL A 642 -8.688 7.208 -2.899 1.00 63.03 C ATOM 1223 C VAL A 642 -9.320 6.317 -3.963 1.00 65.23 C ATOM 1224 O VAL A 642 -10.532 6.103 -3.989 1.00 42.45 O ATOM 1225 CB VAL A 642 -8.463 6.381 -1.619 1.00 34.30 C ATOM 1226 CG1 VAL A 642 -7.849 7.243 -0.526 1.00 34.04 C ATOM 1227 CG2 VAL A 642 -9.769 5.761 -1.149 1.00 2.44 C ATOM 0 H VAL A 642 -10.310 8.204 -2.021 1.00 55.10 H new ATOM 0 HA VAL A 642 -7.727 7.574 -3.260 1.00 63.03 H new ATOM 0 HB VAL A 642 -7.766 5.575 -1.847 1.00 34.30 H new ATOM 0 HG11 VAL A 642 -7.698 6.641 0.370 1.00 34.04 H new ATOM 0 HG12 VAL A 642 -6.890 7.634 -0.867 1.00 34.04 H new ATOM 0 HG13 VAL A 642 -8.519 8.072 -0.297 1.00 34.04 H new ATOM 0 HG21 VAL A 642 -9.591 5.180 -0.244 1.00 2.44 H new ATOM 0 HG22 VAL A 642 -10.491 6.550 -0.938 1.00 2.44 H new ATOM 0 HG23 VAL A 642 -10.163 5.108 -1.928 1.00 2.44 H new ATOM 1237 N PRO A 643 -8.480 5.782 -4.861 1.00 34.11 N ATOM 1238 CA PRO A 643 -8.935 4.904 -5.944 1.00 73.44 C ATOM 1239 C PRO A 643 -9.404 3.547 -5.431 1.00 33.01 C ATOM 1240 O PRO A 643 -8.699 2.884 -4.670 1.00 21.44 O ATOM 1241 CB PRO A 643 -7.686 4.744 -6.817 1.00 5.15 C ATOM 1242 CG PRO A 643 -6.543 4.979 -5.891 1.00 43.11 C ATOM 1243 CD PRO A 643 -7.024 5.994 -4.891 1.00 70.44 C ATOM 0 HA PRO A 643 -9.792 5.319 -6.474 1.00 73.44 H new ATOM 0 HB2 PRO A 643 -7.638 3.749 -7.261 1.00 5.15 H new ATOM 0 HB3 PRO A 643 -7.683 5.460 -7.639 1.00 5.15 H new ATOM 0 HG2 PRO A 643 -6.245 4.055 -5.396 1.00 43.11 H new ATOM 0 HG3 PRO A 643 -5.671 5.347 -6.432 1.00 43.11 H new ATOM 0 HD2 PRO A 643 -6.575 5.836 -3.911 1.00 70.44 H new ATOM 0 HD3 PRO A 643 -6.772 7.010 -5.197 1.00 70.44 H new ATOM 1248 N GLN A 644 -10.597 3.142 -5.852 1.00 25.45 N ATOM 1249 CA GLN A 644 -11.160 1.862 -5.435 1.00 50.43 C ATOM 1250 C GLN A 644 -10.278 0.705 -5.890 1.00 63.23 C ATOM 1251 O GLN A 644 -10.380 -0.407 -5.371 1.00 33.24 O ATOM 1252 CB GLN A 644 -12.573 1.695 -5.997 1.00 74.05 C ATOM 1253 CG GLN A 644 -13.290 0.458 -5.481 1.00 35.52 C ATOM 1254 CD GLN A 644 -13.053 -0.759 -6.353 1.00 60.55 C ATOM 1255 OE1 GLN A 644 -12.413 -0.671 -7.403 1.00 44.43 O ATOM 1256 NE2 GLN A 644 -13.566 -1.906 -5.922 1.00 11.54 N ATOM 0 H GLN A 644 -11.193 3.680 -6.481 1.00 25.45 H new ATOM 0 HA GLN A 644 -11.207 1.852 -4.346 1.00 50.43 H new ATOM 0 HB2 GLN A 644 -13.162 2.577 -5.746 1.00 74.05 H new ATOM 0 HB3 GLN A 644 -12.519 1.647 -7.085 1.00 74.05 H new ATOM 0 HG2 GLN A 644 -12.954 0.244 -4.466 1.00 35.52 H new ATOM 0 HG3 GLN A 644 -14.360 0.659 -5.427 1.00 35.52 H new ATOM 0 HE21 GLN A 644 -14.089 -1.934 -5.047 1.00 11.54 H new ATOM 0 HE22 GLN A 644 -13.437 -2.759 -6.466 1.00 11.54 H new ATOM 1263 N ASP A 645 -9.414 0.973 -6.862 1.00 74.22 N ATOM 1264 CA ASP A 645 -8.513 -0.046 -7.387 1.00 21.30 C ATOM 1265 C ASP A 645 -7.514 -0.490 -6.323 1.00 45.31 C ATOM 1266 O ASP A 645 -7.208 -1.677 -6.200 1.00 21.33 O ATOM 1267 CB ASP A 645 -7.767 0.483 -8.614 1.00 45.52 C ATOM 1268 CG ASP A 645 -7.247 -0.631 -9.500 1.00 11.14 C ATOM 1269 OD1 ASP A 645 -7.488 -1.812 -9.174 1.00 61.35 O ATOM 1270 OD2 ASP A 645 -6.601 -0.321 -10.523 1.00 72.10 O ATOM 0 H ASP A 645 -9.318 1.888 -7.303 1.00 74.22 H new ATOM 0 HA ASP A 645 -9.113 -0.908 -7.680 1.00 21.30 H new ATOM 0 HB2 ASP A 645 -8.433 1.123 -9.193 1.00 45.52 H new ATOM 0 HB3 ASP A 645 -6.932 1.104 -8.288 1.00 45.52 H new ATOM 1274 N LEU A 646 -7.010 0.469 -5.556 1.00 42.42 N ATOM 1275 CA LEU A 646 -6.044 0.178 -4.501 1.00 0.35 C ATOM 1276 C LEU A 646 -6.730 -0.455 -3.295 1.00 53.51 C ATOM 1277 O LEU A 646 -6.328 -1.520 -2.826 1.00 62.52 O ATOM 1278 CB LEU A 646 -5.320 1.457 -4.078 1.00 0.41 C ATOM 1279 CG LEU A 646 -4.482 2.142 -5.158 1.00 12.50 C ATOM 1280 CD1 LEU A 646 -3.716 3.319 -4.573 1.00 45.20 C ATOM 1281 CD2 LEU A 646 -3.527 1.149 -5.801 1.00 33.33 C ATOM 0 H LEU A 646 -7.254 1.456 -5.644 1.00 42.42 H new ATOM 0 HA LEU A 646 -5.315 -0.531 -4.895 1.00 0.35 H new ATOM 0 HB2 LEU A 646 -6.063 2.168 -3.717 1.00 0.41 H new ATOM 0 HB3 LEU A 646 -4.669 1.221 -3.236 1.00 0.41 H new ATOM 0 HG LEU A 646 -5.155 2.519 -5.928 1.00 12.50 H new ATOM 0 HD11 LEU A 646 -3.125 3.794 -5.356 1.00 45.20 H new ATOM 0 HD12 LEU A 646 -4.420 4.042 -4.160 1.00 45.20 H new ATOM 0 HD13 LEU A 646 -3.054 2.965 -3.783 1.00 45.20 H new ATOM 0 HD21 LEU A 646 -2.939 1.654 -6.567 1.00 33.33 H new ATOM 0 HD22 LEU A 646 -2.860 0.741 -5.041 1.00 33.33 H new ATOM 0 HD23 LEU A 646 -4.097 0.339 -6.256 1.00 33.33 H new ATOM 1292 N LEU A 647 -7.769 0.207 -2.798 1.00 53.43 N ATOM 1293 CA LEU A 647 -8.514 -0.291 -1.646 1.00 33.10 C ATOM 1294 C LEU A 647 -8.977 -1.726 -1.876 1.00 13.41 C ATOM 1295 O LEU A 647 -8.888 -2.568 -0.983 1.00 22.32 O ATOM 1296 CB LEU A 647 -9.720 0.607 -1.367 1.00 40.33 C ATOM 1297 CG LEU A 647 -9.405 2.053 -0.980 1.00 42.33 C ATOM 1298 CD1 LEU A 647 -10.675 2.786 -0.574 1.00 43.01 C ATOM 1299 CD2 LEU A 647 -8.381 2.094 0.145 1.00 63.50 C ATOM 0 H LEU A 647 -8.115 1.090 -3.174 1.00 53.43 H new ATOM 0 HA LEU A 647 -7.850 -0.277 -0.782 1.00 33.10 H new ATOM 0 HB2 LEU A 647 -10.352 0.619 -2.255 1.00 40.33 H new ATOM 0 HB3 LEU A 647 -10.305 0.157 -0.565 1.00 40.33 H new ATOM 0 HG LEU A 647 -8.981 2.557 -1.849 1.00 42.33 H new ATOM 0 HD11 LEU A 647 -10.431 3.813 -0.302 1.00 43.01 H new ATOM 0 HD12 LEU A 647 -11.376 2.788 -1.408 1.00 43.01 H new ATOM 0 HD13 LEU A 647 -11.129 2.283 0.280 1.00 43.01 H new ATOM 0 HD21 LEU A 647 -8.169 3.131 0.407 1.00 63.50 H new ATOM 0 HD22 LEU A 647 -8.777 1.573 1.017 1.00 63.50 H new ATOM 0 HD23 LEU A 647 -7.462 1.607 -0.182 1.00 63.50 H new ATOM 1310 N ASP A 648 -9.468 -1.997 -3.081 1.00 50.10 N ATOM 1311 CA ASP A 648 -9.942 -3.332 -3.430 1.00 73.35 C ATOM 1312 C ASP A 648 -8.772 -4.296 -3.602 1.00 53.31 C ATOM 1313 O ASP A 648 -8.901 -5.494 -3.353 1.00 63.14 O ATOM 1314 CB ASP A 648 -10.771 -3.281 -4.714 1.00 70.01 C ATOM 1315 CG ASP A 648 -11.381 -4.625 -5.063 1.00 44.32 C ATOM 1316 OD1 ASP A 648 -11.730 -5.378 -4.129 1.00 63.55 O ATOM 1317 OD2 ASP A 648 -11.512 -4.922 -6.268 1.00 71.31 O ATOM 0 H ASP A 648 -9.548 -1.311 -3.832 1.00 50.10 H new ATOM 0 HA ASP A 648 -10.570 -3.693 -2.616 1.00 73.35 H new ATOM 0 HB2 ASP A 648 -11.565 -2.543 -4.601 1.00 70.01 H new ATOM 0 HB3 ASP A 648 -10.140 -2.947 -5.538 1.00 70.01 H new ATOM 1321 N ARG A 649 -7.632 -3.764 -4.031 1.00 33.32 N ATOM 1322 CA ARG A 649 -6.441 -4.578 -4.240 1.00 61.43 C ATOM 1323 C ARG A 649 -5.850 -5.028 -2.907 1.00 40.22 C ATOM 1324 O ARG A 649 -5.550 -6.207 -2.715 1.00 11.03 O ATOM 1325 CB ARG A 649 -5.394 -3.794 -5.034 1.00 32.42 C ATOM 1326 CG ARG A 649 -5.473 -4.020 -6.535 1.00 1.15 C ATOM 1327 CD ARG A 649 -4.579 -5.169 -6.974 1.00 0.10 C ATOM 1328 NE ARG A 649 -4.232 -5.082 -8.390 1.00 61.24 N ATOM 1329 CZ ARG A 649 -5.091 -5.325 -9.374 1.00 63.02 C ATOM 1330 NH1 ARG A 649 -6.341 -5.668 -9.096 1.00 1.13 N ATOM 1331 NH2 ARG A 649 -4.699 -5.226 -10.637 1.00 14.42 N ATOM 0 H ARG A 649 -7.508 -2.773 -4.240 1.00 33.32 H new ATOM 0 HA ARG A 649 -6.731 -5.462 -4.808 1.00 61.43 H new ATOM 0 HB2 ARG A 649 -5.516 -2.731 -4.828 1.00 32.42 H new ATOM 0 HB3 ARG A 649 -4.400 -4.075 -4.685 1.00 32.42 H new ATOM 0 HG2 ARG A 649 -6.504 -4.231 -6.818 1.00 1.15 H new ATOM 0 HG3 ARG A 649 -5.179 -3.109 -7.057 1.00 1.15 H new ATOM 0 HD2 ARG A 649 -3.667 -5.168 -6.377 1.00 0.10 H new ATOM 0 HD3 ARG A 649 -5.084 -6.115 -6.782 1.00 0.10 H new ATOM 0 HE ARG A 649 -3.278 -4.820 -8.637 1.00 61.24 H new ATOM 0 HH11 ARG A 649 -6.645 -5.746 -8.125 1.00 1.13 H new ATOM 0 HH12 ARG A 649 -6.999 -5.854 -9.853 1.00 1.13 H new ATOM 0 HH21 ARG A 649 -3.738 -4.963 -10.853 1.00 14.42 H new ATOM 0 HH22 ARG A 649 -5.359 -5.413 -11.392 1.00 14.42 H new ATOM 1342 N VAL A 650 -5.685 -4.082 -1.988 1.00 10.21 N ATOM 1343 CA VAL A 650 -5.132 -4.381 -0.673 1.00 13.31 C ATOM 1344 C VAL A 650 -6.026 -5.350 0.092 1.00 62.53 C ATOM 1345 O VAL A 650 -5.543 -6.176 0.869 1.00 2.25 O ATOM 1346 CB VAL A 650 -4.949 -3.099 0.164 1.00 22.54 C ATOM 1347 CG1 VAL A 650 -6.212 -2.791 0.951 1.00 15.50 C ATOM 1348 CG2 VAL A 650 -3.752 -3.238 1.092 1.00 42.23 C ATOM 0 H VAL A 650 -5.927 -3.101 -2.130 1.00 10.21 H new ATOM 0 HA VAL A 650 -4.158 -4.842 -0.837 1.00 13.31 H new ATOM 0 HB VAL A 650 -4.761 -2.266 -0.513 1.00 22.54 H new ATOM 0 HG11 VAL A 650 -6.064 -1.883 1.536 1.00 15.50 H new ATOM 0 HG12 VAL A 650 -7.044 -2.647 0.262 1.00 15.50 H new ATOM 0 HG13 VAL A 650 -6.435 -3.621 1.621 1.00 15.50 H new ATOM 0 HG21 VAL A 650 -3.636 -2.325 1.676 1.00 42.23 H new ATOM 0 HG22 VAL A 650 -3.909 -4.081 1.765 1.00 42.23 H new ATOM 0 HG23 VAL A 650 -2.852 -3.408 0.502 1.00 42.23 H new ATOM 1358 N LEU A 651 -7.331 -5.245 -0.132 1.00 24.02 N ATOM 1359 CA LEU A 651 -8.294 -6.114 0.536 1.00 13.41 C ATOM 1360 C LEU A 651 -8.212 -7.536 -0.006 1.00 61.52 C ATOM 1361 O LEU A 651 -8.367 -8.505 0.738 1.00 3.22 O ATOM 1362 CB LEU A 651 -9.712 -5.569 0.356 1.00 3.50 C ATOM 1363 CG LEU A 651 -10.364 -4.967 1.603 1.00 20.31 C ATOM 1364 CD1 LEU A 651 -9.400 -4.024 2.305 1.00 63.11 C ATOM 1365 CD2 LEU A 651 -11.651 -4.243 1.235 1.00 60.04 C ATOM 0 H LEU A 651 -7.747 -4.567 -0.771 1.00 24.02 H new ATOM 0 HA LEU A 651 -8.051 -6.135 1.598 1.00 13.41 H new ATOM 0 HB2 LEU A 651 -9.690 -4.806 -0.422 1.00 3.50 H new ATOM 0 HB3 LEU A 651 -10.347 -6.377 -0.007 1.00 3.50 H new ATOM 0 HG LEU A 651 -10.611 -5.777 2.289 1.00 20.31 H new ATOM 0 HD11 LEU A 651 -9.880 -3.605 3.189 1.00 63.11 H new ATOM 0 HD12 LEU A 651 -8.506 -4.573 2.603 1.00 63.11 H new ATOM 0 HD13 LEU A 651 -9.121 -3.217 1.627 1.00 63.11 H new ATOM 0 HD21 LEU A 651 -12.101 -3.821 2.134 1.00 60.04 H new ATOM 0 HD22 LEU A 651 -11.429 -3.442 0.530 1.00 60.04 H new ATOM 0 HD23 LEU A 651 -12.346 -4.947 0.777 1.00 60.04 H new ATOM 1376 N ALA A 652 -7.964 -7.655 -1.307 1.00 64.24 N ATOM 1377 CA ALA A 652 -7.856 -8.960 -1.947 1.00 61.30 C ATOM 1378 C ALA A 652 -6.692 -9.760 -1.373 1.00 65.24 C ATOM 1379 O ALA A 652 -6.833 -10.942 -1.060 1.00 71.41 O ATOM 1380 CB ALA A 652 -7.696 -8.798 -3.451 1.00 22.50 C ATOM 0 H ALA A 652 -7.834 -6.864 -1.937 1.00 64.24 H new ATOM 0 HA ALA A 652 -8.775 -9.512 -1.747 1.00 61.30 H new ATOM 0 HB1 ALA A 652 -7.616 -9.780 -3.916 1.00 22.50 H new ATOM 0 HB2 ALA A 652 -8.562 -8.274 -3.855 1.00 22.50 H new ATOM 0 HB3 ALA A 652 -6.794 -8.223 -3.661 1.00 22.50 H new ATOM 1386 N ALA A 653 -5.542 -9.108 -1.236 1.00 51.33 N ATOM 1387 CA ALA A 653 -4.354 -9.757 -0.698 1.00 65.41 C ATOM 1388 C ALA A 653 -4.456 -9.921 0.815 1.00 60.32 C ATOM 1389 O ALA A 653 -4.216 -11.004 1.351 1.00 14.14 O ATOM 1390 CB ALA A 653 -3.108 -8.966 -1.062 1.00 73.22 C ATOM 0 H ALA A 653 -5.409 -8.129 -1.491 1.00 51.33 H new ATOM 0 HA ALA A 653 -4.281 -10.750 -1.141 1.00 65.41 H new ATOM 0 HB1 ALA A 653 -2.229 -9.464 -0.653 1.00 73.22 H new ATOM 0 HB2 ALA A 653 -3.019 -8.906 -2.147 1.00 73.22 H new ATOM 0 HB3 ALA A 653 -3.181 -7.960 -0.648 1.00 73.22 H new ATOM 1396 N HIS A 654 -4.812 -8.838 1.500 1.00 73.23 N ATOM 1397 CA HIS A 654 -4.945 -8.862 2.952 1.00 72.35 C ATOM 1398 C HIS A 654 -5.874 -9.988 3.395 1.00 55.53 C ATOM 1399 O HIS A 654 -5.609 -10.673 4.381 1.00 70.45 O ATOM 1400 CB HIS A 654 -5.472 -7.520 3.459 1.00 52.00 C ATOM 1401 CG HIS A 654 -5.690 -7.482 4.941 1.00 71.30 C ATOM 1402 ND1 HIS A 654 -6.768 -8.081 5.558 1.00 30.40 N ATOM 1403 CD2 HIS A 654 -4.960 -6.915 5.928 1.00 52.34 C ATOM 1404 CE1 HIS A 654 -6.693 -7.881 6.862 1.00 33.43 C ATOM 1405 NE2 HIS A 654 -5.604 -7.176 7.113 1.00 35.34 N ATOM 0 H HIS A 654 -5.013 -7.934 1.073 1.00 73.23 H new ATOM 0 HA HIS A 654 -3.958 -9.041 3.379 1.00 72.35 H new ATOM 0 HB2 HIS A 654 -4.768 -6.735 3.184 1.00 52.00 H new ATOM 0 HB3 HIS A 654 -6.412 -7.295 2.956 1.00 52.00 H new ATOM 0 HD2 HIS A 654 -4.041 -6.360 5.807 1.00 52.34 H new ATOM 0 HE1 HIS A 654 -7.401 -8.234 7.597 1.00 33.43 H new ATOM 0 HE2 HIS A 654 -5.292 -6.875 8.036 1.00 35.34 H new ATOM 1412 N ALA A 655 -6.965 -10.171 2.658 1.00 13.42 N ATOM 1413 CA ALA A 655 -7.934 -11.214 2.974 1.00 72.13 C ATOM 1414 C ALA A 655 -7.429 -12.583 2.533 1.00 70.34 C ATOM 1415 O ALA A 655 -7.496 -13.553 3.289 1.00 11.21 O ATOM 1416 CB ALA A 655 -9.272 -10.906 2.320 1.00 34.24 C ATOM 0 H ALA A 655 -7.200 -9.611 1.839 1.00 13.42 H new ATOM 0 HA ALA A 655 -8.068 -11.237 4.055 1.00 72.13 H new ATOM 0 HB1 ALA A 655 -9.986 -11.693 2.564 1.00 34.24 H new ATOM 0 HB2 ALA A 655 -9.645 -9.950 2.688 1.00 34.24 H new ATOM 0 HB3 ALA A 655 -9.145 -10.854 1.239 1.00 34.24 H new ATOM 1422 N TYR A 656 -6.924 -12.656 1.306 1.00 42.22 N ATOM 1423 CA TYR A 656 -6.411 -13.908 0.765 1.00 31.25 C ATOM 1424 C TYR A 656 -5.343 -14.501 1.679 1.00 12.22 C ATOM 1425 O TYR A 656 -5.394 -15.680 2.028 1.00 0.31 O ATOM 1426 CB TYR A 656 -5.833 -13.683 -0.634 1.00 30.32 C ATOM 1427 CG TYR A 656 -5.115 -14.891 -1.194 1.00 10.24 C ATOM 1428 CD1 TYR A 656 -5.818 -15.914 -1.817 1.00 64.43 C ATOM 1429 CD2 TYR A 656 -3.734 -15.008 -1.100 1.00 34.10 C ATOM 1430 CE1 TYR A 656 -5.166 -17.020 -2.329 1.00 43.42 C ATOM 1431 CE2 TYR A 656 -3.074 -16.109 -1.610 1.00 74.20 C ATOM 1432 CZ TYR A 656 -3.795 -17.112 -2.223 1.00 35.22 C ATOM 1433 OH TYR A 656 -3.141 -18.211 -2.734 1.00 50.44 O ATOM 0 H TYR A 656 -6.859 -11.863 0.668 1.00 42.22 H new ATOM 0 HA TYR A 656 -7.240 -14.613 0.701 1.00 31.25 H new ATOM 0 HB2 TYR A 656 -6.640 -13.404 -1.311 1.00 30.32 H new ATOM 0 HB3 TYR A 656 -5.140 -12.842 -0.601 1.00 30.32 H new ATOM 0 HD1 TYR A 656 -6.892 -15.844 -1.903 1.00 64.43 H new ATOM 0 HD2 TYR A 656 -3.167 -14.225 -0.620 1.00 34.10 H new ATOM 0 HE1 TYR A 656 -5.728 -17.808 -2.809 1.00 43.42 H new ATOM 0 HE2 TYR A 656 -2.000 -16.184 -1.529 1.00 74.20 H new ATOM 0 HH TYR A 656 -2.178 -18.120 -2.578 1.00 50.44 H new ATOM 1442 N TRP A 657 -4.377 -13.674 2.063 1.00 1.32 N ATOM 1443 CA TRP A 657 -3.297 -14.115 2.938 1.00 21.01 C ATOM 1444 C TRP A 657 -3.809 -14.367 4.352 1.00 11.45 C ATOM 1445 O TRP A 657 -3.357 -15.289 5.030 1.00 2.33 O ATOM 1446 CB TRP A 657 -2.179 -13.073 2.965 1.00 72.24 C ATOM 1447 CG TRP A 657 -1.518 -12.874 1.634 1.00 71.15 C ATOM 1448 CD1 TRP A 657 -1.441 -11.711 0.924 1.00 72.22 C ATOM 1449 CD2 TRP A 657 -0.845 -13.869 0.855 1.00 75.13 C ATOM 1450 NE1 TRP A 657 -0.760 -11.922 -0.251 1.00 34.13 N ATOM 1451 CE2 TRP A 657 -0.383 -13.237 -0.317 1.00 62.04 C ATOM 1452 CE3 TRP A 657 -0.584 -15.229 1.034 1.00 3.12 C ATOM 1453 CZ2 TRP A 657 0.323 -13.922 -1.303 1.00 4.42 C ATOM 1454 CZ3 TRP A 657 0.114 -15.908 0.054 1.00 61.43 C ATOM 1455 CH2 TRP A 657 0.562 -15.255 -1.101 1.00 12.32 C ATOM 0 H TRP A 657 -4.320 -12.695 1.782 1.00 1.32 H new ATOM 0 HA TRP A 657 -2.903 -15.051 2.544 1.00 21.01 H new ATOM 0 HB2 TRP A 657 -2.587 -12.121 3.305 1.00 72.24 H new ATOM 0 HB3 TRP A 657 -1.427 -13.376 3.694 1.00 72.24 H new ATOM 0 HD1 TRP A 657 -1.854 -10.764 1.239 1.00 72.22 H new ATOM 0 HE1 TRP A 657 -0.567 -11.214 -0.959 1.00 34.13 H new ATOM 0 HE3 TRP A 657 -0.922 -15.741 1.923 1.00 3.12 H new ATOM 0 HZ2 TRP A 657 0.669 -13.420 -2.194 1.00 4.42 H new ATOM 0 HZ3 TRP A 657 0.318 -16.961 0.181 1.00 61.43 H new ATOM 0 HH2 TRP A 657 1.107 -15.814 -1.847 1.00 12.32 H new ATOM 1465 N SER A 658 -4.754 -13.541 4.789 1.00 2.42 N ATOM 1466 CA SER A 658 -5.326 -13.673 6.125 1.00 71.40 C ATOM 1467 C SER A 658 -5.849 -15.088 6.355 1.00 53.12 C ATOM 1468 O SER A 658 -5.775 -15.615 7.464 1.00 14.41 O ATOM 1469 CB SER A 658 -6.456 -12.661 6.321 1.00 43.41 C ATOM 1470 OG SER A 658 -7.394 -13.123 7.277 1.00 3.41 O ATOM 0 H SER A 658 -5.140 -12.774 4.239 1.00 2.42 H new ATOM 0 HA SER A 658 -4.539 -13.473 6.852 1.00 71.40 H new ATOM 0 HB2 SER A 658 -6.041 -11.707 6.645 1.00 43.41 H new ATOM 0 HB3 SER A 658 -6.958 -12.484 5.370 1.00 43.41 H new ATOM 0 HG SER A 658 -8.105 -12.458 7.385 1.00 3.41 H new ATOM 1475 N GLN A 659 -6.378 -15.695 5.297 1.00 41.40 N ATOM 1476 CA GLN A 659 -6.914 -17.048 5.383 1.00 64.02 C ATOM 1477 C GLN A 659 -5.854 -18.024 5.885 1.00 55.30 C ATOM 1478 O GLN A 659 -6.178 -19.075 6.437 1.00 74.42 O ATOM 1479 CB GLN A 659 -7.436 -17.501 4.019 1.00 62.21 C ATOM 1480 CG GLN A 659 -8.884 -17.118 3.763 1.00 40.15 C ATOM 1481 CD GLN A 659 -9.864 -18.025 4.481 1.00 23.40 C ATOM 1482 OE1 GLN A 659 -9.760 -19.250 4.409 1.00 35.05 O ATOM 1483 NE2 GLN A 659 -10.822 -17.428 5.179 1.00 52.23 N ATOM 0 H GLN A 659 -6.447 -15.272 4.372 1.00 41.40 H new ATOM 0 HA GLN A 659 -7.739 -17.039 6.095 1.00 64.02 H new ATOM 0 HB2 GLN A 659 -6.811 -17.068 3.238 1.00 62.21 H new ATOM 0 HB3 GLN A 659 -7.337 -18.584 3.943 1.00 62.21 H new ATOM 0 HG2 GLN A 659 -9.046 -16.089 4.084 1.00 40.15 H new ATOM 0 HG3 GLN A 659 -9.081 -17.153 2.691 1.00 40.15 H new ATOM 0 HE21 GLN A 659 -10.870 -16.410 5.211 1.00 52.23 H new ATOM 0 HE22 GLN A 659 -11.510 -17.988 5.683 1.00 52.23 H new