USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 669 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 495 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 505 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 421 THR OG1 : rot 180:sc= 0 USER MOD Single : A 426 LYS NZ :NH3+ 159:sc= 1.22 (180deg=0.96) USER MOD Single : A 429 LYS NZ :NH3+ 141:sc= 1.09 (180deg=0.166) USER MOD Single : A 436 THR OG1 : rot 180:sc= -0.0763 USER MOD Single : A 440 GLN : amide:sc= -0.451 K(o=-0.45,f=-3.3!) USER MOD Single : A 443 THR OG1 : rot 180:sc= 0 USER MOD Single : A 445 LYS NZ :NH3+ -178:sc= 1.25 (180deg=1.16) USER MOD Single : A 454 THR OG1 : rot 28:sc= 0.766 USER MOD Single : A 455 THR OG1 : rot 130:sc= 0.024 USER MOD Single : A 456 TYR OH : rot 180:sc= 0 USER MOD Single : A 462 MET CE :methyl 152:sc= -5.96! (180deg=-6.72!) USER MOD Single : A 464 ASN : amide:sc= -1.15! C(o=-1.1!,f=-7.2!) USER MOD Single : A 466 SER OG : rot 180:sc= 0 USER MOD Single : A 471 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 476 SER OG : rot 180:sc= 0 USER MOD Single : A 477 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 482 THR OG1 : rot -90:sc= 0.956 USER MOD Single : A 485 HIS : no HD1:sc= -0.0373 X(o=-0.037,f=-0.039) USER MOD Single : A 489 GLN : amide:sc= -0.128 X(o=-0.13,f=0) USER MOD Single : A 501 LYS NZ :NH3+ -178:sc= 1.25 (180deg=1.17) USER MOD Single : A 502 LYS NZ :NH3+ -141:sc= 0.00311 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 470 N VAL A 419 -9.368 0.747 -0.731 1.00 0.00 N ATOM 471 CA VAL A 419 -8.284 -0.170 -1.004 1.00 0.00 C ATOM 472 C VAL A 419 -7.497 0.407 -2.149 1.00 0.00 C ATOM 473 O VAL A 419 -7.894 1.432 -2.699 1.00 0.00 O ATOM 474 CB VAL A 419 -8.758 -1.622 -1.381 1.00 0.00 C ATOM 475 CG1 VAL A 419 -9.460 -2.300 -0.220 1.00 0.00 C ATOM 476 CG2 VAL A 419 -9.640 -1.630 -2.629 1.00 0.00 C ATOM 0 HA VAL A 419 -7.693 -0.276 -0.095 1.00 0.00 H new ATOM 0 HB VAL A 419 -7.859 -2.195 -1.610 1.00 0.00 H new ATOM 0 HG11 VAL A 419 -9.773 -3.301 -0.518 1.00 0.00 H new ATOM 0 HG12 VAL A 419 -8.777 -2.371 0.627 1.00 0.00 H new ATOM 0 HG13 VAL A 419 -10.335 -1.717 0.067 1.00 0.00 H new ATOM 0 HG21 VAL A 419 -9.944 -2.652 -2.853 1.00 0.00 H new ATOM 0 HG22 VAL A 419 -10.525 -1.018 -2.453 1.00 0.00 H new ATOM 0 HG23 VAL A 419 -9.081 -1.225 -3.472 1.00 0.00 H new ATOM 486 N GLY A 420 -6.421 -0.210 -2.498 1.00 0.00 N ATOM 487 CA GLY A 420 -5.632 0.249 -3.606 1.00 0.00 C ATOM 488 C GLY A 420 -5.094 -0.910 -4.385 1.00 0.00 C ATOM 489 O GLY A 420 -5.346 -2.069 -4.017 1.00 0.00 O ATOM 0 H GLY A 420 -6.059 -1.042 -2.032 1.00 0.00 H new ATOM 0 HA2 GLY A 420 -6.239 0.880 -4.255 1.00 0.00 H new ATOM 0 HA3 GLY A 420 -4.808 0.864 -3.243 1.00 0.00 H new ATOM 493 N THR A 421 -4.328 -0.626 -5.405 1.00 0.00 N ATOM 494 CA THR A 421 -3.777 -1.651 -6.242 1.00 0.00 C ATOM 495 C THR A 421 -2.241 -1.507 -6.286 1.00 0.00 C ATOM 496 O THR A 421 -1.705 -0.381 -6.305 1.00 0.00 O ATOM 497 CB THR A 421 -4.361 -1.528 -7.663 1.00 0.00 C ATOM 498 OG1 THR A 421 -5.778 -1.256 -7.567 1.00 0.00 O ATOM 499 CG2 THR A 421 -4.175 -2.829 -8.429 1.00 0.00 C ATOM 0 H THR A 421 -4.070 0.323 -5.676 1.00 0.00 H new ATOM 0 HA THR A 421 -4.033 -2.630 -5.838 1.00 0.00 H new ATOM 0 HB THR A 421 -3.845 -0.723 -8.186 1.00 0.00 H new ATOM 0 HG1 THR A 421 -6.157 -1.175 -8.467 1.00 0.00 H new ATOM 0 HG21 THR A 421 -4.593 -2.725 -9.430 1.00 0.00 H new ATOM 0 HG22 THR A 421 -3.112 -3.060 -8.502 1.00 0.00 H new ATOM 0 HG23 THR A 421 -4.686 -3.636 -7.905 1.00 0.00 H new ATOM 507 N VAL A 422 -1.553 -2.620 -6.231 1.00 0.00 N ATOM 508 CA VAL A 422 -0.099 -2.643 -6.285 1.00 0.00 C ATOM 509 C VAL A 422 0.338 -2.420 -7.729 1.00 0.00 C ATOM 510 O VAL A 422 -0.272 -2.986 -8.653 1.00 0.00 O ATOM 511 CB VAL A 422 0.466 -4.014 -5.808 1.00 0.00 C ATOM 512 CG1 VAL A 422 1.986 -4.000 -5.745 1.00 0.00 C ATOM 513 CG2 VAL A 422 -0.114 -4.420 -4.467 1.00 0.00 C ATOM 0 H VAL A 422 -1.980 -3.543 -6.147 1.00 0.00 H new ATOM 0 HA VAL A 422 0.282 -1.861 -5.628 1.00 0.00 H new ATOM 0 HB VAL A 422 0.163 -4.756 -6.547 1.00 0.00 H new ATOM 0 HG11 VAL A 422 2.345 -4.973 -5.408 1.00 0.00 H new ATOM 0 HG12 VAL A 422 2.389 -3.787 -6.735 1.00 0.00 H new ATOM 0 HG13 VAL A 422 2.314 -3.230 -5.046 1.00 0.00 H new ATOM 0 HG21 VAL A 422 0.303 -5.381 -4.166 1.00 0.00 H new ATOM 0 HG22 VAL A 422 0.135 -3.667 -3.720 1.00 0.00 H new ATOM 0 HG23 VAL A 422 -1.198 -4.505 -4.550 1.00 0.00 H new ATOM 523 N ILE A 423 1.363 -1.616 -7.944 1.00 0.00 N ATOM 524 CA ILE A 423 1.820 -1.376 -9.289 1.00 0.00 C ATOM 525 C ILE A 423 2.863 -2.399 -9.701 1.00 0.00 C ATOM 526 O ILE A 423 2.784 -2.966 -10.792 1.00 0.00 O ATOM 527 CB ILE A 423 2.290 0.085 -9.549 1.00 0.00 C ATOM 528 CG1 ILE A 423 3.412 0.530 -8.600 1.00 0.00 C ATOM 529 CG2 ILE A 423 1.106 1.048 -9.484 1.00 0.00 C ATOM 530 CD1 ILE A 423 3.869 1.962 -8.830 1.00 0.00 C ATOM 0 H ILE A 423 1.883 -1.128 -7.215 1.00 0.00 H new ATOM 0 HA ILE A 423 0.949 -1.503 -9.931 1.00 0.00 H new ATOM 0 HB ILE A 423 2.711 0.107 -10.554 1.00 0.00 H new ATOM 0 HG12 ILE A 423 3.068 0.428 -7.571 1.00 0.00 H new ATOM 0 HG13 ILE A 423 4.265 -0.139 -8.719 1.00 0.00 H new ATOM 0 HG21 ILE A 423 1.453 2.065 -9.668 1.00 0.00 H new ATOM 0 HG22 ILE A 423 0.371 0.773 -10.241 1.00 0.00 H new ATOM 0 HG23 ILE A 423 0.647 0.995 -8.497 1.00 0.00 H new ATOM 0 HD11 ILE A 423 4.663 2.208 -8.125 1.00 0.00 H new ATOM 0 HD12 ILE A 423 4.243 2.065 -9.848 1.00 0.00 H new ATOM 0 HD13 ILE A 423 3.029 2.640 -8.682 1.00 0.00 H new ATOM 542 N GLU A 424 3.798 -2.674 -8.814 1.00 0.00 N ATOM 543 CA GLU A 424 4.791 -3.686 -9.049 1.00 0.00 C ATOM 544 C GLU A 424 5.317 -4.203 -7.728 1.00 0.00 C ATOM 545 O GLU A 424 5.217 -3.524 -6.703 1.00 0.00 O ATOM 546 CB GLU A 424 5.947 -3.193 -9.923 1.00 0.00 C ATOM 547 CG GLU A 424 6.784 -2.084 -9.324 1.00 0.00 C ATOM 548 CD GLU A 424 8.085 -1.908 -10.055 1.00 0.00 C ATOM 549 OE1 GLU A 424 9.084 -2.561 -9.683 1.00 0.00 O ATOM 550 OE2 GLU A 424 8.137 -1.131 -11.040 1.00 0.00 O ATOM 0 H GLU A 424 3.885 -2.200 -7.915 1.00 0.00 H new ATOM 0 HA GLU A 424 4.305 -4.493 -9.598 1.00 0.00 H new ATOM 0 HB2 GLU A 424 6.599 -4.038 -10.145 1.00 0.00 H new ATOM 0 HB3 GLU A 424 5.540 -2.846 -10.873 1.00 0.00 H new ATOM 0 HG2 GLU A 424 6.223 -1.150 -9.351 1.00 0.00 H new ATOM 0 HG3 GLU A 424 6.984 -2.305 -8.276 1.00 0.00 H new ATOM 557 N ALA A 425 5.855 -5.384 -7.735 1.00 0.00 N ATOM 558 CA ALA A 425 6.385 -5.979 -6.544 1.00 0.00 C ATOM 559 C ALA A 425 7.648 -6.717 -6.883 1.00 0.00 C ATOM 560 O ALA A 425 7.693 -7.408 -7.895 1.00 0.00 O ATOM 561 CB ALA A 425 5.372 -6.914 -5.942 1.00 0.00 C ATOM 0 H ALA A 425 5.940 -5.965 -8.569 1.00 0.00 H new ATOM 0 HA ALA A 425 6.610 -5.202 -5.813 1.00 0.00 H new ATOM 0 HB1 ALA A 425 5.783 -7.362 -5.037 1.00 0.00 H new ATOM 0 HB2 ALA A 425 4.467 -6.359 -5.694 1.00 0.00 H new ATOM 0 HB3 ALA A 425 5.131 -7.699 -6.658 1.00 0.00 H new ATOM 567 N LYS A 426 8.670 -6.585 -6.059 1.00 0.00 N ATOM 568 CA LYS A 426 9.954 -7.215 -6.337 1.00 0.00 C ATOM 569 C LYS A 426 10.825 -7.150 -5.114 1.00 0.00 C ATOM 570 O LYS A 426 10.424 -6.624 -4.084 1.00 0.00 O ATOM 571 CB LYS A 426 10.701 -6.595 -7.562 1.00 0.00 C ATOM 572 CG LYS A 426 11.429 -5.265 -7.327 1.00 0.00 C ATOM 573 CD LYS A 426 10.488 -4.153 -6.864 1.00 0.00 C ATOM 574 CE LYS A 426 11.127 -2.769 -6.940 1.00 0.00 C ATOM 575 NZ LYS A 426 11.380 -2.343 -8.341 1.00 0.00 N ATOM 0 H LYS A 426 8.640 -6.049 -5.192 1.00 0.00 H new ATOM 0 HA LYS A 426 9.745 -8.252 -6.600 1.00 0.00 H new ATOM 0 HB2 LYS A 426 11.430 -7.323 -7.920 1.00 0.00 H new ATOM 0 HB3 LYS A 426 9.977 -6.449 -8.363 1.00 0.00 H new ATOM 0 HG2 LYS A 426 12.210 -5.410 -6.580 1.00 0.00 H new ATOM 0 HG3 LYS A 426 11.923 -4.958 -8.249 1.00 0.00 H new ATOM 0 HD2 LYS A 426 9.587 -4.167 -7.477 1.00 0.00 H new ATOM 0 HD3 LYS A 426 10.178 -4.349 -5.838 1.00 0.00 H new ATOM 0 HE2 LYS A 426 10.476 -2.043 -6.453 1.00 0.00 H new ATOM 0 HE3 LYS A 426 12.067 -2.774 -6.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 426 11.470 -1.308 -8.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 426 12.260 -2.780 -8.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 426 10.587 -2.643 -8.944 1.00 0.00 H new ATOM 589 N LEU A 427 11.974 -7.713 -5.212 1.00 0.00 N ATOM 590 CA LEU A 427 12.898 -7.704 -4.123 1.00 0.00 C ATOM 591 C LEU A 427 13.791 -6.487 -4.211 1.00 0.00 C ATOM 592 O LEU A 427 14.040 -5.945 -5.302 1.00 0.00 O ATOM 593 CB LEU A 427 13.777 -8.949 -4.161 1.00 0.00 C ATOM 594 CG LEU A 427 15.040 -8.921 -5.076 1.00 0.00 C ATOM 595 CD1 LEU A 427 15.915 -10.121 -4.793 1.00 0.00 C ATOM 596 CD2 LEU A 427 14.651 -8.913 -6.552 1.00 0.00 C ATOM 0 H LEU A 427 12.306 -8.195 -6.047 1.00 0.00 H new ATOM 0 HA LEU A 427 12.327 -7.684 -3.195 1.00 0.00 H new ATOM 0 HB2 LEU A 427 14.106 -9.158 -3.143 1.00 0.00 H new ATOM 0 HB3 LEU A 427 13.156 -9.788 -4.474 1.00 0.00 H new ATOM 0 HG LEU A 427 15.591 -8.006 -4.857 1.00 0.00 H new ATOM 0 HD11 LEU A 427 16.794 -10.091 -5.438 1.00 0.00 H new ATOM 0 HD12 LEU A 427 16.230 -10.104 -3.750 1.00 0.00 H new ATOM 0 HD13 LEU A 427 15.353 -11.035 -4.988 1.00 0.00 H new ATOM 0 HD21 LEU A 427 15.552 -8.893 -7.166 1.00 0.00 H new ATOM 0 HD22 LEU A 427 14.075 -9.810 -6.781 1.00 0.00 H new ATOM 0 HD23 LEU A 427 14.048 -8.030 -6.765 1.00 0.00 H new ATOM 608 N ASP A 428 14.252 -6.059 -3.105 1.00 0.00 N ATOM 609 CA ASP A 428 15.262 -5.062 -3.058 1.00 0.00 C ATOM 610 C ASP A 428 16.409 -5.638 -2.292 1.00 0.00 C ATOM 611 O ASP A 428 16.252 -5.991 -1.137 1.00 0.00 O ATOM 612 CB ASP A 428 14.798 -3.781 -2.397 1.00 0.00 C ATOM 613 CG ASP A 428 15.887 -2.745 -2.437 1.00 0.00 C ATOM 614 OD1 ASP A 428 16.743 -2.737 -1.537 1.00 0.00 O ATOM 615 OD2 ASP A 428 15.941 -1.956 -3.397 1.00 0.00 O ATOM 0 H ASP A 428 13.941 -6.389 -2.191 1.00 0.00 H new ATOM 0 HA ASP A 428 15.540 -4.793 -4.077 1.00 0.00 H new ATOM 0 HB2 ASP A 428 13.910 -3.404 -2.904 1.00 0.00 H new ATOM 0 HB3 ASP A 428 14.515 -3.980 -1.363 1.00 0.00 H new ATOM 620 N LYS A 429 17.544 -5.757 -2.936 1.00 0.00 N ATOM 621 CA LYS A 429 18.733 -6.356 -2.338 1.00 0.00 C ATOM 622 C LYS A 429 19.200 -5.693 -1.013 1.00 0.00 C ATOM 623 O LYS A 429 19.922 -6.318 -0.228 1.00 0.00 O ATOM 624 CB LYS A 429 19.904 -6.455 -3.353 1.00 0.00 C ATOM 625 CG LYS A 429 20.602 -5.145 -3.829 1.00 0.00 C ATOM 626 CD LYS A 429 19.770 -4.229 -4.757 1.00 0.00 C ATOM 627 CE LYS A 429 18.975 -3.168 -3.998 1.00 0.00 C ATOM 628 NZ LYS A 429 18.310 -2.190 -4.902 1.00 0.00 N ATOM 0 H LYS A 429 17.679 -5.442 -3.897 1.00 0.00 H new ATOM 0 HA LYS A 429 18.420 -7.364 -2.064 1.00 0.00 H new ATOM 0 HB2 LYS A 429 20.669 -7.094 -2.912 1.00 0.00 H new ATOM 0 HB3 LYS A 429 19.530 -6.969 -4.238 1.00 0.00 H new ATOM 0 HG2 LYS A 429 20.890 -4.571 -2.949 1.00 0.00 H new ATOM 0 HG3 LYS A 429 21.521 -5.415 -4.348 1.00 0.00 H new ATOM 0 HD2 LYS A 429 20.437 -3.737 -5.465 1.00 0.00 H new ATOM 0 HD3 LYS A 429 19.082 -4.841 -5.340 1.00 0.00 H new ATOM 0 HE2 LYS A 429 18.221 -3.657 -3.382 1.00 0.00 H new ATOM 0 HE3 LYS A 429 19.643 -2.635 -3.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 429 17.367 -1.958 -4.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 429 18.883 -1.324 -4.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 429 18.215 -2.604 -5.851 1.00 0.00 H new ATOM 642 N GLY A 430 18.774 -4.475 -0.754 1.00 0.00 N ATOM 643 CA GLY A 430 19.204 -3.797 0.443 1.00 0.00 C ATOM 644 C GLY A 430 18.115 -3.718 1.491 1.00 0.00 C ATOM 645 O GLY A 430 18.368 -3.917 2.678 1.00 0.00 O ATOM 0 H GLY A 430 18.139 -3.943 -1.349 1.00 0.00 H new ATOM 0 HA2 GLY A 430 20.067 -4.316 0.860 1.00 0.00 H new ATOM 0 HA3 GLY A 430 19.531 -2.789 0.188 1.00 0.00 H new ATOM 649 N ARG A 431 16.903 -3.441 1.056 1.00 0.00 N ATOM 650 CA ARG A 431 15.784 -3.267 1.976 1.00 0.00 C ATOM 651 C ARG A 431 15.150 -4.609 2.317 1.00 0.00 C ATOM 652 O ARG A 431 14.725 -4.838 3.453 1.00 0.00 O ATOM 653 CB ARG A 431 14.715 -2.377 1.354 1.00 0.00 C ATOM 654 CG ARG A 431 15.219 -1.071 0.770 1.00 0.00 C ATOM 655 CD ARG A 431 14.080 -0.323 0.122 1.00 0.00 C ATOM 656 NE ARG A 431 14.526 0.794 -0.702 1.00 0.00 N ATOM 657 CZ ARG A 431 13.910 1.194 -1.827 1.00 0.00 C ATOM 658 NH1 ARG A 431 12.799 0.579 -2.243 1.00 0.00 N ATOM 659 NH2 ARG A 431 14.397 2.202 -2.519 1.00 0.00 N ATOM 0 H ARG A 431 16.662 -3.330 0.071 1.00 0.00 H new ATOM 0 HA ARG A 431 16.174 -2.804 2.882 1.00 0.00 H new ATOM 0 HB2 ARG A 431 14.212 -2.938 0.567 1.00 0.00 H new ATOM 0 HB3 ARG A 431 13.966 -2.152 2.113 1.00 0.00 H new ATOM 0 HG2 ARG A 431 15.666 -0.461 1.555 1.00 0.00 H new ATOM 0 HG3 ARG A 431 16.000 -1.269 0.036 1.00 0.00 H new ATOM 0 HD2 ARG A 431 13.503 -1.013 -0.493 1.00 0.00 H new ATOM 0 HD3 ARG A 431 13.410 0.049 0.897 1.00 0.00 H new ATOM 0 HE ARG A 431 15.358 1.304 -0.406 1.00 0.00 H new ATOM 0 HH11 ARG A 431 12.415 -0.198 -1.706 1.00 0.00 H new ATOM 0 HH12 ARG A 431 12.335 0.887 -3.098 1.00 0.00 H new ATOM 0 HH21 ARG A 431 15.241 2.678 -2.201 1.00 0.00 H new ATOM 0 HH22 ARG A 431 13.930 2.507 -3.373 1.00 0.00 H new ATOM 673 N GLY A 432 15.089 -5.477 1.338 1.00 0.00 N ATOM 674 CA GLY A 432 14.441 -6.744 1.496 1.00 0.00 C ATOM 675 C GLY A 432 13.222 -6.819 0.598 1.00 0.00 C ATOM 676 O GLY A 432 13.242 -6.263 -0.509 1.00 0.00 O ATOM 0 H GLY A 432 15.488 -5.320 0.412 1.00 0.00 H new ATOM 0 HA2 GLY A 432 15.134 -7.549 1.251 1.00 0.00 H new ATOM 0 HA3 GLY A 432 14.146 -6.884 2.536 1.00 0.00 H new ATOM 680 N PRO A 433 12.152 -7.508 1.018 1.00 0.00 N ATOM 681 CA PRO A 433 10.905 -7.578 0.245 1.00 0.00 C ATOM 682 C PRO A 433 10.206 -6.214 0.189 1.00 0.00 C ATOM 683 O PRO A 433 9.793 -5.673 1.231 1.00 0.00 O ATOM 684 CB PRO A 433 10.042 -8.578 1.047 1.00 0.00 C ATOM 685 CG PRO A 433 11.010 -9.299 1.921 1.00 0.00 C ATOM 686 CD PRO A 433 12.071 -8.297 2.253 1.00 0.00 C ATOM 0 HA PRO A 433 11.075 -7.875 -0.790 1.00 0.00 H new ATOM 0 HB2 PRO A 433 9.284 -8.062 1.637 1.00 0.00 H new ATOM 0 HB3 PRO A 433 9.517 -9.267 0.385 1.00 0.00 H new ATOM 0 HG2 PRO A 433 10.524 -9.669 2.823 1.00 0.00 H new ATOM 0 HG3 PRO A 433 11.433 -10.163 1.409 1.00 0.00 H new ATOM 0 HD2 PRO A 433 11.797 -7.683 3.111 1.00 0.00 H new ATOM 0 HD3 PRO A 433 13.021 -8.775 2.494 1.00 0.00 H new ATOM 694 N VAL A 434 10.084 -5.663 -1.005 1.00 0.00 N ATOM 695 CA VAL A 434 9.452 -4.376 -1.189 1.00 0.00 C ATOM 696 C VAL A 434 8.244 -4.510 -2.099 1.00 0.00 C ATOM 697 O VAL A 434 8.123 -5.478 -2.862 1.00 0.00 O ATOM 698 CB VAL A 434 10.427 -3.289 -1.775 1.00 0.00 C ATOM 699 CG1 VAL A 434 11.628 -3.088 -0.889 1.00 0.00 C ATOM 700 CG2 VAL A 434 10.873 -3.617 -3.190 1.00 0.00 C ATOM 0 H VAL A 434 10.419 -6.094 -1.867 1.00 0.00 H new ATOM 0 HA VAL A 434 9.146 -4.039 -0.199 1.00 0.00 H new ATOM 0 HB VAL A 434 9.860 -2.359 -1.811 1.00 0.00 H new ATOM 0 HG11 VAL A 434 12.279 -2.330 -1.325 1.00 0.00 H new ATOM 0 HG12 VAL A 434 11.301 -2.761 0.098 1.00 0.00 H new ATOM 0 HG13 VAL A 434 12.174 -4.027 -0.798 1.00 0.00 H new ATOM 0 HG21 VAL A 434 11.544 -2.837 -3.550 1.00 0.00 H new ATOM 0 HG22 VAL A 434 11.394 -4.575 -3.195 1.00 0.00 H new ATOM 0 HG23 VAL A 434 10.001 -3.675 -3.842 1.00 0.00 H new ATOM 710 N ALA A 435 7.361 -3.572 -2.009 1.00 0.00 N ATOM 711 CA ALA A 435 6.188 -3.549 -2.848 1.00 0.00 C ATOM 712 C ALA A 435 5.886 -2.132 -3.230 1.00 0.00 C ATOM 713 O ALA A 435 5.706 -1.288 -2.356 1.00 0.00 O ATOM 714 CB ALA A 435 5.000 -4.164 -2.126 1.00 0.00 C ATOM 0 H ALA A 435 7.424 -2.793 -1.353 1.00 0.00 H new ATOM 0 HA ALA A 435 6.378 -4.137 -3.746 1.00 0.00 H new ATOM 0 HB1 ALA A 435 4.125 -4.137 -2.776 1.00 0.00 H new ATOM 0 HB2 ALA A 435 5.227 -5.198 -1.867 1.00 0.00 H new ATOM 0 HB3 ALA A 435 4.794 -3.599 -1.217 1.00 0.00 H new ATOM 720 N THR A 436 5.854 -1.857 -4.507 1.00 0.00 N ATOM 721 CA THR A 436 5.559 -0.542 -4.973 1.00 0.00 C ATOM 722 C THR A 436 4.065 -0.470 -5.218 1.00 0.00 C ATOM 723 O THR A 436 3.527 -1.203 -6.061 1.00 0.00 O ATOM 724 CB THR A 436 6.269 -0.256 -6.298 1.00 0.00 C ATOM 725 OG1 THR A 436 7.571 -0.896 -6.313 1.00 0.00 O ATOM 726 CG2 THR A 436 6.446 1.250 -6.465 1.00 0.00 C ATOM 0 H THR A 436 6.032 -2.539 -5.244 1.00 0.00 H new ATOM 0 HA THR A 436 5.892 0.185 -4.232 1.00 0.00 H new ATOM 0 HB THR A 436 5.666 -0.650 -7.116 1.00 0.00 H new ATOM 0 HG1 THR A 436 8.018 -0.709 -7.165 1.00 0.00 H new ATOM 0 HG21 THR A 436 6.952 1.454 -7.409 1.00 0.00 H new ATOM 0 HG22 THR A 436 5.469 1.733 -6.465 1.00 0.00 H new ATOM 0 HG23 THR A 436 7.044 1.640 -5.641 1.00 0.00 H new ATOM 734 N LEU A 437 3.392 0.367 -4.516 1.00 0.00 N ATOM 735 CA LEU A 437 1.982 0.447 -4.660 1.00 0.00 C ATOM 736 C LEU A 437 1.517 1.880 -4.770 1.00 0.00 C ATOM 737 O LEU A 437 2.299 2.816 -4.545 1.00 0.00 O ATOM 738 CB LEU A 437 1.224 -0.364 -3.544 1.00 0.00 C ATOM 739 CG LEU A 437 1.321 0.038 -2.025 1.00 0.00 C ATOM 740 CD1 LEU A 437 2.715 -0.027 -1.454 1.00 0.00 C ATOM 741 CD2 LEU A 437 0.699 1.381 -1.744 1.00 0.00 C ATOM 0 H LEU A 437 3.795 1.009 -3.833 1.00 0.00 H new ATOM 0 HA LEU A 437 1.722 -0.035 -5.602 1.00 0.00 H new ATOM 0 HB2 LEU A 437 0.166 -0.353 -3.808 1.00 0.00 H new ATOM 0 HB3 LEU A 437 1.561 -1.398 -3.620 1.00 0.00 H new ATOM 0 HG LEU A 437 0.740 -0.727 -1.509 1.00 0.00 H new ATOM 0 HD11 LEU A 437 2.692 0.265 -0.404 1.00 0.00 H new ATOM 0 HD12 LEU A 437 3.096 -1.045 -1.539 1.00 0.00 H new ATOM 0 HD13 LEU A 437 3.366 0.651 -2.005 1.00 0.00 H new ATOM 0 HD21 LEU A 437 0.793 1.610 -0.683 1.00 0.00 H new ATOM 0 HD22 LEU A 437 1.209 2.147 -2.327 1.00 0.00 H new ATOM 0 HD23 LEU A 437 -0.356 1.358 -2.018 1.00 0.00 H new ATOM 753 N LEU A 438 0.268 2.049 -5.131 1.00 0.00 N ATOM 754 CA LEU A 438 -0.340 3.345 -5.219 1.00 0.00 C ATOM 755 C LEU A 438 -1.429 3.366 -4.146 1.00 0.00 C ATOM 756 O LEU A 438 -2.457 2.690 -4.278 1.00 0.00 O ATOM 757 CB LEU A 438 -0.933 3.529 -6.642 1.00 0.00 C ATOM 758 CG LEU A 438 -1.321 4.955 -7.121 1.00 0.00 C ATOM 759 CD1 LEU A 438 -2.402 5.595 -6.269 1.00 0.00 C ATOM 760 CD2 LEU A 438 -0.098 5.856 -7.211 1.00 0.00 C ATOM 0 H LEU A 438 -0.357 1.280 -5.373 1.00 0.00 H new ATOM 0 HA LEU A 438 0.367 4.159 -5.057 1.00 0.00 H new ATOM 0 HB2 LEU A 438 -0.210 3.129 -7.353 1.00 0.00 H new ATOM 0 HB3 LEU A 438 -1.825 2.906 -6.709 1.00 0.00 H new ATOM 0 HG LEU A 438 -1.742 4.837 -8.120 1.00 0.00 H new ATOM 0 HD11 LEU A 438 -2.628 6.589 -6.655 1.00 0.00 H new ATOM 0 HD12 LEU A 438 -3.301 4.980 -6.300 1.00 0.00 H new ATOM 0 HD13 LEU A 438 -2.053 5.676 -5.239 1.00 0.00 H new ATOM 0 HD21 LEU A 438 -0.400 6.847 -7.549 1.00 0.00 H new ATOM 0 HD22 LEU A 438 0.369 5.934 -6.229 1.00 0.00 H new ATOM 0 HD23 LEU A 438 0.614 5.433 -7.919 1.00 0.00 H new ATOM 772 N VAL A 439 -1.182 4.084 -3.072 1.00 0.00 N ATOM 773 CA VAL A 439 -2.101 4.105 -1.947 1.00 0.00 C ATOM 774 C VAL A 439 -3.383 4.900 -2.249 1.00 0.00 C ATOM 775 O VAL A 439 -3.351 6.101 -2.539 1.00 0.00 O ATOM 776 CB VAL A 439 -1.413 4.552 -0.611 1.00 0.00 C ATOM 777 CG1 VAL A 439 -0.745 5.909 -0.729 1.00 0.00 C ATOM 778 CG2 VAL A 439 -2.397 4.527 0.557 1.00 0.00 C ATOM 0 H VAL A 439 -0.351 4.663 -2.951 1.00 0.00 H new ATOM 0 HA VAL A 439 -2.413 3.072 -1.792 1.00 0.00 H new ATOM 0 HB VAL A 439 -0.626 3.826 -0.409 1.00 0.00 H new ATOM 0 HG11 VAL A 439 -0.284 6.172 0.223 1.00 0.00 H new ATOM 0 HG12 VAL A 439 0.020 5.872 -1.505 1.00 0.00 H new ATOM 0 HG13 VAL A 439 -1.490 6.660 -0.990 1.00 0.00 H new ATOM 0 HG21 VAL A 439 -1.888 4.842 1.468 1.00 0.00 H new ATOM 0 HG22 VAL A 439 -3.225 5.206 0.350 1.00 0.00 H new ATOM 0 HG23 VAL A 439 -2.781 3.515 0.687 1.00 0.00 H new ATOM 788 N GLN A 440 -4.509 4.198 -2.223 1.00 0.00 N ATOM 789 CA GLN A 440 -5.805 4.798 -2.505 1.00 0.00 C ATOM 790 C GLN A 440 -6.711 4.682 -1.289 1.00 0.00 C ATOM 791 O GLN A 440 -7.707 5.389 -1.174 1.00 0.00 O ATOM 792 CB GLN A 440 -6.465 4.099 -3.698 1.00 0.00 C ATOM 793 CG GLN A 440 -5.686 4.182 -5.003 1.00 0.00 C ATOM 794 CD GLN A 440 -6.336 3.390 -6.126 1.00 0.00 C ATOM 795 OE1 GLN A 440 -6.995 2.373 -5.897 1.00 0.00 O ATOM 796 NE2 GLN A 440 -6.173 3.845 -7.331 1.00 0.00 N ATOM 0 H GLN A 440 -4.549 3.202 -2.007 1.00 0.00 H new ATOM 0 HA GLN A 440 -5.653 5.851 -2.744 1.00 0.00 H new ATOM 0 HB2 GLN A 440 -6.614 3.049 -3.448 1.00 0.00 H new ATOM 0 HB3 GLN A 440 -7.453 4.533 -3.854 1.00 0.00 H new ATOM 0 HG2 GLN A 440 -5.599 5.226 -5.304 1.00 0.00 H new ATOM 0 HG3 GLN A 440 -4.674 3.811 -4.841 1.00 0.00 H new ATOM 0 HE21 GLN A 440 -5.622 4.689 -7.487 1.00 0.00 H new ATOM 0 HE22 GLN A 440 -6.596 3.358 -8.121 1.00 0.00 H new ATOM 805 N ALA A 441 -6.328 3.809 -0.357 1.00 0.00 N ATOM 806 CA ALA A 441 -7.159 3.481 0.786 1.00 0.00 C ATOM 807 C ALA A 441 -7.144 4.585 1.830 1.00 0.00 C ATOM 808 O ALA A 441 -8.010 4.633 2.717 1.00 0.00 O ATOM 809 CB ALA A 441 -6.695 2.168 1.389 1.00 0.00 C ATOM 0 H ALA A 441 -5.436 3.315 -0.379 1.00 0.00 H new ATOM 0 HA ALA A 441 -8.188 3.380 0.442 1.00 0.00 H new ATOM 0 HB1 ALA A 441 -7.319 1.921 2.248 1.00 0.00 H new ATOM 0 HB2 ALA A 441 -6.775 1.377 0.643 1.00 0.00 H new ATOM 0 HB3 ALA A 441 -5.657 2.261 1.710 1.00 0.00 H new ATOM 815 N GLY A 442 -6.182 5.468 1.711 1.00 0.00 N ATOM 816 CA GLY A 442 -6.045 6.541 2.634 1.00 0.00 C ATOM 817 C GLY A 442 -4.635 7.038 2.675 1.00 0.00 C ATOM 818 O GLY A 442 -4.157 7.604 1.714 1.00 0.00 O ATOM 0 H GLY A 442 -5.480 5.453 0.971 1.00 0.00 H new ATOM 0 HA2 GLY A 442 -6.713 7.355 2.352 1.00 0.00 H new ATOM 0 HA3 GLY A 442 -6.347 6.211 3.628 1.00 0.00 H new ATOM 822 N THR A 443 -3.955 6.732 3.730 1.00 0.00 N ATOM 823 CA THR A 443 -2.615 7.225 3.966 1.00 0.00 C ATOM 824 C THR A 443 -1.743 6.067 4.440 1.00 0.00 C ATOM 825 O THR A 443 -2.164 5.286 5.292 1.00 0.00 O ATOM 826 CB THR A 443 -2.639 8.354 5.039 1.00 0.00 C ATOM 827 OG1 THR A 443 -3.485 9.448 4.592 1.00 0.00 O ATOM 828 CG2 THR A 443 -1.236 8.879 5.340 1.00 0.00 C ATOM 0 H THR A 443 -4.309 6.125 4.470 1.00 0.00 H new ATOM 0 HA THR A 443 -2.207 7.639 3.044 1.00 0.00 H new ATOM 0 HB THR A 443 -3.043 7.927 5.957 1.00 0.00 H new ATOM 0 HG1 THR A 443 -3.496 10.153 5.273 1.00 0.00 H new ATOM 0 HG21 THR A 443 -1.295 9.665 6.093 1.00 0.00 H new ATOM 0 HG22 THR A 443 -0.615 8.065 5.714 1.00 0.00 H new ATOM 0 HG23 THR A 443 -0.795 9.282 4.428 1.00 0.00 H new ATOM 836 N LEU A 444 -0.566 5.945 3.874 1.00 0.00 N ATOM 837 CA LEU A 444 0.338 4.868 4.214 1.00 0.00 C ATOM 838 C LEU A 444 1.396 5.431 5.143 1.00 0.00 C ATOM 839 O LEU A 444 2.022 6.431 4.813 1.00 0.00 O ATOM 840 CB LEU A 444 0.993 4.341 2.928 1.00 0.00 C ATOM 841 CG LEU A 444 1.063 2.814 2.734 1.00 0.00 C ATOM 842 CD1 LEU A 444 1.685 2.523 1.412 1.00 0.00 C ATOM 843 CD2 LEU A 444 1.852 2.118 3.834 1.00 0.00 C ATOM 0 H LEU A 444 -0.207 6.586 3.167 1.00 0.00 H new ATOM 0 HA LEU A 444 -0.191 4.049 4.701 1.00 0.00 H new ATOM 0 HB2 LEU A 444 0.454 4.762 2.080 1.00 0.00 H new ATOM 0 HB3 LEU A 444 2.010 4.732 2.885 1.00 0.00 H new ATOM 0 HG LEU A 444 0.045 2.427 2.778 1.00 0.00 H new ATOM 0 HD11 LEU A 444 1.739 1.444 1.265 1.00 0.00 H new ATOM 0 HD12 LEU A 444 1.082 2.967 0.620 1.00 0.00 H new ATOM 0 HD13 LEU A 444 2.690 2.944 1.382 1.00 0.00 H new ATOM 0 HD21 LEU A 444 1.869 1.044 3.646 1.00 0.00 H new ATOM 0 HD22 LEU A 444 2.873 2.500 3.847 1.00 0.00 H new ATOM 0 HD23 LEU A 444 1.380 2.311 4.798 1.00 0.00 H new ATOM 855 N LYS A 445 1.578 4.824 6.291 1.00 0.00 N ATOM 856 CA LYS A 445 2.548 5.288 7.263 1.00 0.00 C ATOM 857 C LYS A 445 3.258 4.092 7.903 1.00 0.00 C ATOM 858 O LYS A 445 2.663 3.029 8.083 1.00 0.00 O ATOM 859 CB LYS A 445 1.850 6.140 8.340 1.00 0.00 C ATOM 860 CG LYS A 445 2.754 6.595 9.482 1.00 0.00 C ATOM 861 CD LYS A 445 2.035 6.560 10.816 1.00 0.00 C ATOM 862 CE LYS A 445 1.653 5.129 11.181 1.00 0.00 C ATOM 863 NZ LYS A 445 1.100 5.025 12.534 1.00 0.00 N ATOM 0 H LYS A 445 1.060 3.995 6.581 1.00 0.00 H new ATOM 0 HA LYS A 445 3.291 5.906 6.759 1.00 0.00 H new ATOM 0 HB2 LYS A 445 1.419 7.021 7.864 1.00 0.00 H new ATOM 0 HB3 LYS A 445 1.022 5.566 8.757 1.00 0.00 H new ATOM 0 HG2 LYS A 445 3.634 5.954 9.526 1.00 0.00 H new ATOM 0 HG3 LYS A 445 3.107 7.607 9.285 1.00 0.00 H new ATOM 0 HD2 LYS A 445 2.675 6.981 11.592 1.00 0.00 H new ATOM 0 HD3 LYS A 445 1.140 7.181 10.770 1.00 0.00 H new ATOM 0 HE2 LYS A 445 0.922 4.757 10.463 1.00 0.00 H new ATOM 0 HE3 LYS A 445 2.532 4.490 11.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 445 0.888 4.029 12.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 445 1.793 5.386 13.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 445 0.226 5.586 12.596 1.00 0.00 H new ATOM 877 N VAL A 446 4.527 4.269 8.220 1.00 0.00 N ATOM 878 CA VAL A 446 5.339 3.235 8.833 1.00 0.00 C ATOM 879 C VAL A 446 4.852 2.863 10.225 1.00 0.00 C ATOM 880 O VAL A 446 4.332 3.698 10.967 1.00 0.00 O ATOM 881 CB VAL A 446 6.851 3.615 8.896 1.00 0.00 C ATOM 882 CG1 VAL A 446 7.426 3.800 7.509 1.00 0.00 C ATOM 883 CG2 VAL A 446 7.075 4.878 9.728 1.00 0.00 C ATOM 0 H VAL A 446 5.028 5.143 8.058 1.00 0.00 H new ATOM 0 HA VAL A 446 5.230 2.367 8.183 1.00 0.00 H new ATOM 0 HB VAL A 446 7.370 2.788 9.381 1.00 0.00 H new ATOM 0 HG11 VAL A 446 8.481 4.064 7.585 1.00 0.00 H new ATOM 0 HG12 VAL A 446 7.324 2.872 6.946 1.00 0.00 H new ATOM 0 HG13 VAL A 446 6.888 4.597 6.996 1.00 0.00 H new ATOM 0 HG21 VAL A 446 8.139 5.114 9.751 1.00 0.00 H new ATOM 0 HG22 VAL A 446 6.528 5.709 9.282 1.00 0.00 H new ATOM 0 HG23 VAL A 446 6.718 4.712 10.744 1.00 0.00 H new ATOM 893 N GLY A 447 4.991 1.609 10.559 1.00 0.00 N ATOM 894 CA GLY A 447 4.650 1.155 11.879 1.00 0.00 C ATOM 895 C GLY A 447 3.311 0.490 11.952 1.00 0.00 C ATOM 896 O GLY A 447 3.060 -0.301 12.861 1.00 0.00 O ATOM 0 H GLY A 447 5.339 0.882 9.934 1.00 0.00 H new ATOM 0 HA2 GLY A 447 5.413 0.457 12.223 1.00 0.00 H new ATOM 0 HA3 GLY A 447 4.663 2.004 12.562 1.00 0.00 H new ATOM 900 N ASP A 448 2.457 0.772 11.009 1.00 0.00 N ATOM 901 CA ASP A 448 1.128 0.201 11.033 1.00 0.00 C ATOM 902 C ASP A 448 1.014 -1.061 10.212 1.00 0.00 C ATOM 903 O ASP A 448 1.730 -1.224 9.203 1.00 0.00 O ATOM 904 CB ASP A 448 0.051 1.215 10.637 1.00 0.00 C ATOM 905 CG ASP A 448 -0.632 1.801 11.850 1.00 0.00 C ATOM 906 OD1 ASP A 448 -0.034 2.655 12.541 1.00 0.00 O ATOM 907 OD2 ASP A 448 -1.760 1.370 12.181 1.00 0.00 O ATOM 0 H ASP A 448 2.649 1.387 10.218 1.00 0.00 H new ATOM 0 HA ASP A 448 0.951 -0.079 12.071 1.00 0.00 H new ATOM 0 HB2 ASP A 448 0.502 2.015 10.050 1.00 0.00 H new ATOM 0 HB3 ASP A 448 -0.689 0.731 10.000 1.00 0.00 H new ATOM 912 N PRO A 449 0.197 -2.031 10.695 1.00 0.00 N ATOM 913 CA PRO A 449 -0.134 -3.232 9.944 1.00 0.00 C ATOM 914 C PRO A 449 -0.967 -2.903 8.710 1.00 0.00 C ATOM 915 O PRO A 449 -1.903 -2.086 8.765 1.00 0.00 O ATOM 916 CB PRO A 449 -0.962 -4.081 10.924 1.00 0.00 C ATOM 917 CG PRO A 449 -0.667 -3.515 12.263 1.00 0.00 C ATOM 918 CD PRO A 449 -0.415 -2.059 12.037 1.00 0.00 C ATOM 0 HA PRO A 449 0.760 -3.743 9.585 1.00 0.00 H new ATOM 0 HB2 PRO A 449 -2.026 -4.022 10.696 1.00 0.00 H new ATOM 0 HB3 PRO A 449 -0.682 -5.133 10.869 1.00 0.00 H new ATOM 0 HG2 PRO A 449 -1.503 -3.667 12.946 1.00 0.00 H new ATOM 0 HG3 PRO A 449 0.202 -3.998 12.710 1.00 0.00 H new ATOM 0 HD2 PRO A 449 -1.338 -1.480 12.072 1.00 0.00 H new ATOM 0 HD3 PRO A 449 0.251 -1.643 12.793 1.00 0.00 H new ATOM 926 N ILE A 450 -0.619 -3.530 7.628 1.00 0.00 N ATOM 927 CA ILE A 450 -1.263 -3.354 6.349 1.00 0.00 C ATOM 928 C ILE A 450 -1.579 -4.715 5.756 1.00 0.00 C ATOM 929 O ILE A 450 -1.003 -5.719 6.187 1.00 0.00 O ATOM 930 CB ILE A 450 -0.365 -2.508 5.376 1.00 0.00 C ATOM 931 CG1 ILE A 450 1.102 -3.022 5.331 1.00 0.00 C ATOM 932 CG2 ILE A 450 -0.407 -1.028 5.729 1.00 0.00 C ATOM 933 CD1 ILE A 450 1.346 -4.234 4.455 1.00 0.00 C ATOM 0 H ILE A 450 0.147 -4.203 7.604 1.00 0.00 H new ATOM 0 HA ILE A 450 -2.193 -2.803 6.491 1.00 0.00 H new ATOM 0 HB ILE A 450 -0.783 -2.634 4.377 1.00 0.00 H new ATOM 0 HG12 ILE A 450 1.742 -2.211 4.984 1.00 0.00 H new ATOM 0 HG13 ILE A 450 1.415 -3.262 6.347 1.00 0.00 H new ATOM 0 HG21 ILE A 450 0.225 -0.471 5.037 1.00 0.00 H new ATOM 0 HG22 ILE A 450 -1.432 -0.666 5.656 1.00 0.00 H new ATOM 0 HG23 ILE A 450 -0.043 -0.886 6.747 1.00 0.00 H new ATOM 0 HD11 ILE A 450 2.400 -4.507 4.497 1.00 0.00 H new ATOM 0 HD12 ILE A 450 0.741 -5.068 4.811 1.00 0.00 H new ATOM 0 HD13 ILE A 450 1.072 -4.000 3.426 1.00 0.00 H new ATOM 945 N VAL A 451 -2.476 -4.762 4.798 1.00 0.00 N ATOM 946 CA VAL A 451 -2.842 -6.016 4.163 1.00 0.00 C ATOM 947 C VAL A 451 -2.610 -5.898 2.667 1.00 0.00 C ATOM 948 O VAL A 451 -3.240 -5.081 2.020 1.00 0.00 O ATOM 949 CB VAL A 451 -4.338 -6.384 4.421 1.00 0.00 C ATOM 950 CG1 VAL A 451 -4.683 -7.738 3.806 1.00 0.00 C ATOM 951 CG2 VAL A 451 -4.660 -6.380 5.910 1.00 0.00 C ATOM 0 H VAL A 451 -2.970 -3.945 4.437 1.00 0.00 H new ATOM 0 HA VAL A 451 -2.224 -6.805 4.591 1.00 0.00 H new ATOM 0 HB VAL A 451 -4.950 -5.621 3.940 1.00 0.00 H new ATOM 0 HG11 VAL A 451 -5.730 -7.970 4.000 1.00 0.00 H new ATOM 0 HG12 VAL A 451 -4.513 -7.703 2.730 1.00 0.00 H new ATOM 0 HG13 VAL A 451 -4.053 -8.510 4.248 1.00 0.00 H new ATOM 0 HG21 VAL A 451 -5.708 -6.640 6.056 1.00 0.00 H new ATOM 0 HG22 VAL A 451 -4.031 -7.109 6.420 1.00 0.00 H new ATOM 0 HG23 VAL A 451 -4.471 -5.388 6.320 1.00 0.00 H new ATOM 961 N VAL A 452 -1.699 -6.690 2.143 1.00 0.00 N ATOM 962 CA VAL A 452 -1.356 -6.694 0.722 1.00 0.00 C ATOM 963 C VAL A 452 -1.427 -8.123 0.223 1.00 0.00 C ATOM 964 O VAL A 452 -0.765 -8.997 0.783 1.00 0.00 O ATOM 965 CB VAL A 452 0.089 -6.153 0.469 1.00 0.00 C ATOM 966 CG1 VAL A 452 0.442 -6.187 -1.017 1.00 0.00 C ATOM 967 CG2 VAL A 452 0.248 -4.745 1.004 1.00 0.00 C ATOM 0 H VAL A 452 -1.164 -7.362 2.693 1.00 0.00 H new ATOM 0 HA VAL A 452 -2.057 -6.045 0.197 1.00 0.00 H new ATOM 0 HB VAL A 452 0.776 -6.809 1.004 1.00 0.00 H new ATOM 0 HG11 VAL A 452 1.453 -5.805 -1.160 1.00 0.00 H new ATOM 0 HG12 VAL A 452 0.388 -7.213 -1.381 1.00 0.00 H new ATOM 0 HG13 VAL A 452 -0.262 -5.568 -1.572 1.00 0.00 H new ATOM 0 HG21 VAL A 452 1.263 -4.396 0.813 1.00 0.00 H new ATOM 0 HG22 VAL A 452 -0.462 -4.084 0.507 1.00 0.00 H new ATOM 0 HG23 VAL A 452 0.058 -4.740 2.077 1.00 0.00 H new ATOM 977 N GLY A 453 -2.250 -8.367 -0.793 1.00 0.00 N ATOM 978 CA GLY A 453 -2.383 -9.706 -1.351 1.00 0.00 C ATOM 979 C GLY A 453 -2.881 -10.693 -0.332 1.00 0.00 C ATOM 980 O GLY A 453 -2.454 -11.843 -0.306 1.00 0.00 O ATOM 0 H GLY A 453 -2.831 -7.659 -1.243 1.00 0.00 H new ATOM 0 HA2 GLY A 453 -3.070 -9.680 -2.197 1.00 0.00 H new ATOM 0 HA3 GLY A 453 -1.418 -10.037 -1.735 1.00 0.00 H new ATOM 984 N THR A 454 -3.780 -10.224 0.529 1.00 0.00 N ATOM 985 CA THR A 454 -4.337 -10.987 1.657 1.00 0.00 C ATOM 986 C THR A 454 -3.286 -11.450 2.701 1.00 0.00 C ATOM 987 O THR A 454 -3.589 -12.211 3.620 1.00 0.00 O ATOM 988 CB THR A 454 -5.346 -12.115 1.246 1.00 0.00 C ATOM 989 OG1 THR A 454 -4.877 -12.867 0.113 1.00 0.00 O ATOM 990 CG2 THR A 454 -6.711 -11.514 0.931 1.00 0.00 C ATOM 0 H THR A 454 -4.155 -9.278 0.465 1.00 0.00 H new ATOM 0 HA THR A 454 -4.945 -10.251 2.182 1.00 0.00 H new ATOM 0 HB THR A 454 -5.431 -12.797 2.092 1.00 0.00 H new ATOM 0 HG1 THR A 454 -3.897 -12.848 0.090 1.00 0.00 H new ATOM 0 HG21 THR A 454 -7.402 -12.308 0.647 1.00 0.00 H new ATOM 0 HG22 THR A 454 -7.093 -10.998 1.812 1.00 0.00 H new ATOM 0 HG23 THR A 454 -6.615 -10.805 0.108 1.00 0.00 H new ATOM 998 N THR A 455 -2.074 -10.965 2.564 1.00 0.00 N ATOM 999 CA THR A 455 -1.052 -11.172 3.545 1.00 0.00 C ATOM 1000 C THR A 455 -0.931 -9.877 4.334 1.00 0.00 C ATOM 1001 O THR A 455 -1.031 -8.794 3.759 1.00 0.00 O ATOM 1002 CB THR A 455 0.311 -11.532 2.880 1.00 0.00 C ATOM 1003 OG1 THR A 455 0.159 -12.726 2.087 1.00 0.00 O ATOM 1004 CG2 THR A 455 1.390 -11.759 3.941 1.00 0.00 C ATOM 0 H THR A 455 -1.774 -10.413 1.761 1.00 0.00 H new ATOM 0 HA THR A 455 -1.314 -12.008 4.193 1.00 0.00 H new ATOM 0 HB THR A 455 0.617 -10.701 2.245 1.00 0.00 H new ATOM 0 HG1 THR A 455 0.526 -12.573 1.191 1.00 0.00 H new ATOM 0 HG21 THR A 455 2.332 -12.009 3.454 1.00 0.00 H new ATOM 0 HG22 THR A 455 1.516 -10.852 4.532 1.00 0.00 H new ATOM 0 HG23 THR A 455 1.091 -12.578 4.595 1.00 0.00 H new ATOM 1012 N TYR A 456 -0.767 -9.962 5.621 1.00 0.00 N ATOM 1013 CA TYR A 456 -0.666 -8.766 6.393 1.00 0.00 C ATOM 1014 C TYR A 456 0.727 -8.634 6.931 1.00 0.00 C ATOM 1015 O TYR A 456 1.403 -9.636 7.208 1.00 0.00 O ATOM 1016 CB TYR A 456 -1.721 -8.685 7.520 1.00 0.00 C ATOM 1017 CG TYR A 456 -1.517 -9.634 8.687 1.00 0.00 C ATOM 1018 CD1 TYR A 456 -1.942 -10.953 8.630 1.00 0.00 C ATOM 1019 CD2 TYR A 456 -0.896 -9.194 9.852 1.00 0.00 C ATOM 1020 CE1 TYR A 456 -1.753 -11.805 9.701 1.00 0.00 C ATOM 1021 CE2 TYR A 456 -0.705 -10.036 10.920 1.00 0.00 C ATOM 1022 CZ TYR A 456 -1.132 -11.339 10.845 1.00 0.00 C ATOM 1023 OH TYR A 456 -0.940 -12.180 11.917 1.00 0.00 O ATOM 0 H TYR A 456 -0.702 -10.833 6.149 1.00 0.00 H new ATOM 0 HA TYR A 456 -0.878 -7.925 5.733 1.00 0.00 H new ATOM 0 HB2 TYR A 456 -1.737 -7.665 7.904 1.00 0.00 H new ATOM 0 HB3 TYR A 456 -2.703 -8.878 7.087 1.00 0.00 H new ATOM 0 HD1 TYR A 456 -2.427 -11.319 7.737 1.00 0.00 H new ATOM 0 HD2 TYR A 456 -0.558 -8.170 9.918 1.00 0.00 H new ATOM 0 HE1 TYR A 456 -2.089 -12.830 9.645 1.00 0.00 H new ATOM 0 HE2 TYR A 456 -0.221 -9.675 11.815 1.00 0.00 H new ATOM 0 HH TYR A 456 -0.489 -11.693 12.638 1.00 0.00 H new ATOM 1033 N GLY A 457 1.162 -7.435 7.041 1.00 0.00 N ATOM 1034 CA GLY A 457 2.460 -7.158 7.532 1.00 0.00 C ATOM 1035 C GLY A 457 2.474 -5.823 8.159 1.00 0.00 C ATOM 1036 O GLY A 457 1.420 -5.236 8.358 1.00 0.00 O ATOM 0 H GLY A 457 0.621 -6.608 6.790 1.00 0.00 H new ATOM 0 HA2 GLY A 457 2.755 -7.916 8.258 1.00 0.00 H new ATOM 0 HA3 GLY A 457 3.184 -7.197 6.718 1.00 0.00 H new ATOM 1040 N ARG A 458 3.620 -5.322 8.439 1.00 0.00 N ATOM 1041 CA ARG A 458 3.743 -4.048 9.079 1.00 0.00 C ATOM 1042 C ARG A 458 4.752 -3.254 8.309 1.00 0.00 C ATOM 1043 O ARG A 458 5.802 -3.791 7.946 1.00 0.00 O ATOM 1044 CB ARG A 458 4.200 -4.258 10.518 1.00 0.00 C ATOM 1045 CG ARG A 458 4.255 -3.010 11.375 1.00 0.00 C ATOM 1046 CD ARG A 458 4.844 -3.360 12.729 1.00 0.00 C ATOM 1047 NE ARG A 458 4.824 -2.251 13.683 1.00 0.00 N ATOM 1048 CZ ARG A 458 5.535 -2.228 14.822 1.00 0.00 C ATOM 1049 NH1 ARG A 458 6.481 -3.144 15.047 1.00 0.00 N ATOM 1050 NH2 ARG A 458 5.339 -1.264 15.705 1.00 0.00 N ATOM 0 H ARG A 458 4.508 -5.779 8.233 1.00 0.00 H new ATOM 0 HA ARG A 458 2.792 -3.515 9.098 1.00 0.00 H new ATOM 0 HB2 ARG A 458 3.529 -4.974 10.993 1.00 0.00 H new ATOM 0 HB3 ARG A 458 5.191 -4.711 10.503 1.00 0.00 H new ATOM 0 HG2 ARG A 458 4.861 -2.246 10.888 1.00 0.00 H new ATOM 0 HG3 ARG A 458 3.255 -2.594 11.497 1.00 0.00 H new ATOM 0 HD2 ARG A 458 4.291 -4.200 13.150 1.00 0.00 H new ATOM 0 HD3 ARG A 458 5.873 -3.692 12.593 1.00 0.00 H new ATOM 0 HE ARG A 458 4.234 -1.446 13.470 1.00 0.00 H new ATOM 0 HH11 ARG A 458 6.667 -3.867 14.352 1.00 0.00 H new ATOM 0 HH12 ARG A 458 7.017 -3.121 15.914 1.00 0.00 H new ATOM 0 HH21 ARG A 458 4.647 -0.537 15.521 1.00 0.00 H new ATOM 0 HH22 ARG A 458 5.879 -1.247 16.570 1.00 0.00 H new ATOM 1064 N VAL A 459 4.460 -2.007 8.061 1.00 0.00 N ATOM 1065 CA VAL A 459 5.330 -1.180 7.251 1.00 0.00 C ATOM 1066 C VAL A 459 6.575 -0.805 8.031 1.00 0.00 C ATOM 1067 O VAL A 459 6.489 -0.150 9.075 1.00 0.00 O ATOM 1068 CB VAL A 459 4.624 0.097 6.790 1.00 0.00 C ATOM 1069 CG1 VAL A 459 5.531 0.903 5.873 1.00 0.00 C ATOM 1070 CG2 VAL A 459 3.331 -0.238 6.091 1.00 0.00 C ATOM 0 H VAL A 459 3.625 -1.534 8.407 1.00 0.00 H new ATOM 0 HA VAL A 459 5.605 -1.762 6.371 1.00 0.00 H new ATOM 0 HB VAL A 459 4.395 0.701 7.668 1.00 0.00 H new ATOM 0 HG11 VAL A 459 5.014 1.808 5.554 1.00 0.00 H new ATOM 0 HG12 VAL A 459 6.441 1.174 6.408 1.00 0.00 H new ATOM 0 HG13 VAL A 459 5.789 0.305 4.999 1.00 0.00 H new ATOM 0 HG21 VAL A 459 2.842 0.682 5.770 1.00 0.00 H new ATOM 0 HG22 VAL A 459 3.538 -0.861 5.221 1.00 0.00 H new ATOM 0 HG23 VAL A 459 2.676 -0.777 6.776 1.00 0.00 H new ATOM 1080 N ARG A 460 7.713 -1.227 7.544 1.00 0.00 N ATOM 1081 CA ARG A 460 8.952 -0.953 8.225 1.00 0.00 C ATOM 1082 C ARG A 460 9.508 0.400 7.761 1.00 0.00 C ATOM 1083 O ARG A 460 9.740 1.298 8.575 1.00 0.00 O ATOM 1084 CB ARG A 460 9.960 -2.108 7.992 1.00 0.00 C ATOM 1085 CG ARG A 460 11.016 -2.274 9.099 1.00 0.00 C ATOM 1086 CD ARG A 460 11.965 -1.097 9.198 1.00 0.00 C ATOM 1087 NE ARG A 460 12.789 -1.150 10.409 1.00 0.00 N ATOM 1088 CZ ARG A 460 13.776 -0.302 10.697 1.00 0.00 C ATOM 1089 NH1 ARG A 460 14.210 0.545 9.788 1.00 0.00 N ATOM 1090 NH2 ARG A 460 14.359 -0.338 11.881 1.00 0.00 N ATOM 0 H ARG A 460 7.808 -1.761 6.680 1.00 0.00 H new ATOM 0 HA ARG A 460 8.776 -0.891 9.299 1.00 0.00 H new ATOM 0 HB2 ARG A 460 9.406 -3.041 7.895 1.00 0.00 H new ATOM 0 HB3 ARG A 460 10.471 -1.940 7.044 1.00 0.00 H new ATOM 0 HG2 ARG A 460 10.512 -2.408 10.056 1.00 0.00 H new ATOM 0 HG3 ARG A 460 11.590 -3.181 8.912 1.00 0.00 H new ATOM 0 HD2 ARG A 460 12.612 -1.079 8.321 1.00 0.00 H new ATOM 0 HD3 ARG A 460 11.393 -0.169 9.190 1.00 0.00 H new ATOM 0 HE ARG A 460 12.592 -1.891 11.082 1.00 0.00 H new ATOM 0 HH11 ARG A 460 13.791 0.554 8.858 1.00 0.00 H new ATOM 0 HH12 ARG A 460 14.966 1.192 10.013 1.00 0.00 H new ATOM 0 HH21 ARG A 460 14.054 -1.016 12.579 1.00 0.00 H new ATOM 0 HH22 ARG A 460 15.114 0.313 12.098 1.00 0.00 H new ATOM 1104 N ALA A 461 9.700 0.544 6.475 1.00 0.00 N ATOM 1105 CA ALA A 461 10.226 1.759 5.900 1.00 0.00 C ATOM 1106 C ALA A 461 9.359 2.186 4.758 1.00 0.00 C ATOM 1107 O ALA A 461 8.695 1.349 4.126 1.00 0.00 O ATOM 1108 CB ALA A 461 11.644 1.541 5.416 1.00 0.00 C ATOM 0 H ALA A 461 9.495 -0.184 5.790 1.00 0.00 H new ATOM 0 HA ALA A 461 10.234 2.538 6.662 1.00 0.00 H new ATOM 0 HB1 ALA A 461 12.028 2.466 4.985 1.00 0.00 H new ATOM 0 HB2 ALA A 461 12.273 1.243 6.255 1.00 0.00 H new ATOM 0 HB3 ALA A 461 11.654 0.757 4.659 1.00 0.00 H new ATOM 1114 N MET A 462 9.361 3.462 4.489 1.00 0.00 N ATOM 1115 CA MET A 462 8.573 4.018 3.430 1.00 0.00 C ATOM 1116 C MET A 462 9.529 4.694 2.494 1.00 0.00 C ATOM 1117 O MET A 462 10.272 5.587 2.913 1.00 0.00 O ATOM 1118 CB MET A 462 7.623 5.069 3.989 1.00 0.00 C ATOM 1119 CG MET A 462 6.525 5.509 3.032 1.00 0.00 C ATOM 1120 SD MET A 462 5.252 4.268 2.848 1.00 0.00 S ATOM 1121 CE MET A 462 4.678 4.211 4.536 1.00 0.00 C ATOM 0 H MET A 462 9.914 4.148 5.003 1.00 0.00 H new ATOM 0 HA MET A 462 7.991 3.242 2.933 1.00 0.00 H new ATOM 0 HB2 MET A 462 7.161 4.676 4.894 1.00 0.00 H new ATOM 0 HB3 MET A 462 8.203 5.944 4.282 1.00 0.00 H new ATOM 0 HG2 MET A 462 6.078 6.434 3.395 1.00 0.00 H new ATOM 0 HG3 MET A 462 6.961 5.727 2.057 1.00 0.00 H new ATOM 0 HE1 MET A 462 3.630 3.912 4.554 1.00 0.00 H new ATOM 0 HE2 MET A 462 5.271 3.490 5.098 1.00 0.00 H new ATOM 0 HE3 MET A 462 4.781 5.197 4.989 1.00 0.00 H new ATOM 1131 N VAL A 463 9.564 4.275 1.279 1.00 0.00 N ATOM 1132 CA VAL A 463 10.452 4.858 0.314 1.00 0.00 C ATOM 1133 C VAL A 463 9.638 5.172 -0.920 1.00 0.00 C ATOM 1134 O VAL A 463 8.771 4.399 -1.289 1.00 0.00 O ATOM 1135 CB VAL A 463 11.625 3.891 -0.064 1.00 0.00 C ATOM 1136 CG1 VAL A 463 12.611 4.572 -0.992 1.00 0.00 C ATOM 1137 CG2 VAL A 463 12.352 3.372 1.177 1.00 0.00 C ATOM 0 H VAL A 463 8.982 3.519 0.917 1.00 0.00 H new ATOM 0 HA VAL A 463 10.902 5.756 0.738 1.00 0.00 H new ATOM 0 HB VAL A 463 11.183 3.039 -0.580 1.00 0.00 H new ATOM 0 HG11 VAL A 463 13.416 3.880 -1.239 1.00 0.00 H new ATOM 0 HG12 VAL A 463 12.100 4.876 -1.906 1.00 0.00 H new ATOM 0 HG13 VAL A 463 13.027 5.451 -0.499 1.00 0.00 H new ATOM 0 HG21 VAL A 463 13.159 2.705 0.874 1.00 0.00 H new ATOM 0 HG22 VAL A 463 12.766 4.212 1.734 1.00 0.00 H new ATOM 0 HG23 VAL A 463 11.650 2.829 1.809 1.00 0.00 H new ATOM 1147 N ASN A 464 9.870 6.299 -1.535 1.00 0.00 N ATOM 1148 CA ASN A 464 9.123 6.633 -2.725 1.00 0.00 C ATOM 1149 C ASN A 464 9.978 6.243 -3.911 1.00 0.00 C ATOM 1150 O ASN A 464 11.138 5.884 -3.712 1.00 0.00 O ATOM 1151 CB ASN A 464 8.757 8.123 -2.755 1.00 0.00 C ATOM 1152 CG ASN A 464 9.868 9.036 -3.250 1.00 0.00 C ATOM 1153 OD1 ASN A 464 9.982 9.292 -4.432 1.00 0.00 O ATOM 1154 ND2 ASN A 464 10.667 9.543 -2.369 1.00 0.00 N ATOM 0 H ASN A 464 10.557 6.994 -1.242 1.00 0.00 H new ATOM 0 HA ASN A 464 8.177 6.093 -2.748 1.00 0.00 H new ATOM 0 HB2 ASN A 464 7.883 8.257 -3.393 1.00 0.00 H new ATOM 0 HB3 ASN A 464 8.469 8.434 -1.751 1.00 0.00 H new ATOM 0 HD21 ASN A 464 11.414 10.174 -2.661 1.00 0.00 H new ATOM 0 HD22 ASN A 464 10.550 9.312 -1.382 1.00 0.00 H new ATOM 1161 N ASP A 465 9.457 6.353 -5.121 1.00 0.00 N ATOM 1162 CA ASP A 465 10.173 5.883 -6.336 1.00 0.00 C ATOM 1163 C ASP A 465 11.512 6.596 -6.578 1.00 0.00 C ATOM 1164 O ASP A 465 12.427 6.027 -7.167 1.00 0.00 O ATOM 1165 CB ASP A 465 9.273 5.971 -7.582 1.00 0.00 C ATOM 1166 CG ASP A 465 9.991 5.573 -8.868 1.00 0.00 C ATOM 1167 OD1 ASP A 465 10.137 4.360 -9.142 1.00 0.00 O ATOM 1168 OD2 ASP A 465 10.436 6.468 -9.616 1.00 0.00 O ATOM 0 H ASP A 465 8.541 6.761 -5.308 1.00 0.00 H new ATOM 0 HA ASP A 465 10.416 4.837 -6.149 1.00 0.00 H new ATOM 0 HB2 ASP A 465 8.406 5.326 -7.443 1.00 0.00 H new ATOM 0 HB3 ASP A 465 8.900 6.990 -7.682 1.00 0.00 H new ATOM 1173 N SER A 466 11.648 7.804 -6.087 1.00 0.00 N ATOM 1174 CA SER A 466 12.860 8.552 -6.312 1.00 0.00 C ATOM 1175 C SER A 466 13.992 8.082 -5.359 1.00 0.00 C ATOM 1176 O SER A 466 15.174 8.329 -5.602 1.00 0.00 O ATOM 1177 CB SER A 466 12.558 10.029 -6.234 1.00 0.00 C ATOM 1178 OG SER A 466 11.545 10.365 -7.194 1.00 0.00 O ATOM 0 H SER A 466 10.940 8.287 -5.533 1.00 0.00 H new ATOM 0 HA SER A 466 13.240 8.360 -7.315 1.00 0.00 H new ATOM 0 HB2 SER A 466 12.222 10.289 -5.230 1.00 0.00 H new ATOM 0 HB3 SER A 466 13.462 10.606 -6.427 1.00 0.00 H new ATOM 0 HG SER A 466 11.349 11.324 -7.141 1.00 0.00 H new ATOM 1184 N GLY A 467 13.605 7.421 -4.270 1.00 0.00 N ATOM 1185 CA GLY A 467 14.590 6.667 -3.474 1.00 0.00 C ATOM 1186 C GLY A 467 14.975 7.383 -2.237 1.00 0.00 C ATOM 1187 O GLY A 467 16.144 7.455 -1.850 1.00 0.00 O ATOM 0 H GLY A 467 12.647 7.387 -3.920 1.00 0.00 H new ATOM 0 HA2 GLY A 467 14.175 5.693 -3.214 1.00 0.00 H new ATOM 0 HA3 GLY A 467 15.479 6.484 -4.078 1.00 0.00 H new ATOM 1191 N ARG A 468 13.989 7.923 -1.649 1.00 0.00 N ATOM 1192 CA ARG A 468 14.079 8.679 -0.460 1.00 0.00 C ATOM 1193 C ARG A 468 13.239 8.040 0.622 1.00 0.00 C ATOM 1194 O ARG A 468 12.090 7.629 0.361 1.00 0.00 O ATOM 1195 CB ARG A 468 13.560 10.012 -0.808 1.00 0.00 C ATOM 1196 CG ARG A 468 13.143 10.892 0.309 1.00 0.00 C ATOM 1197 CD ARG A 468 12.523 12.087 -0.303 1.00 0.00 C ATOM 1198 NE ARG A 468 13.518 13.063 -0.762 1.00 0.00 N ATOM 1199 CZ ARG A 468 13.273 14.063 -1.609 1.00 0.00 C ATOM 1200 NH1 ARG A 468 12.073 14.185 -2.168 1.00 0.00 N ATOM 1201 NH2 ARG A 468 14.232 14.919 -1.915 1.00 0.00 N ATOM 0 H ARG A 468 13.035 7.848 -2.002 1.00 0.00 H new ATOM 0 HA ARG A 468 15.099 8.734 -0.079 1.00 0.00 H new ATOM 0 HB2 ARG A 468 14.327 10.534 -1.380 1.00 0.00 H new ATOM 0 HB3 ARG A 468 12.704 9.879 -1.470 1.00 0.00 H new ATOM 0 HG2 ARG A 468 12.436 10.380 0.962 1.00 0.00 H new ATOM 0 HG3 ARG A 468 13.999 11.171 0.923 1.00 0.00 H new ATOM 0 HD2 ARG A 468 11.904 11.780 -1.146 1.00 0.00 H new ATOM 0 HD3 ARG A 468 11.861 12.561 0.422 1.00 0.00 H new ATOM 0 HE ARG A 468 14.469 12.969 -0.406 1.00 0.00 H new ATOM 0 HH11 ARG A 468 11.338 13.513 -1.949 1.00 0.00 H new ATOM 0 HH12 ARG A 468 11.888 14.951 -2.816 1.00 0.00 H new ATOM 0 HH21 ARG A 468 15.159 14.815 -1.503 1.00 0.00 H new ATOM 0 HH22 ARG A 468 14.045 15.684 -2.563 1.00 0.00 H new ATOM 1215 N ARG A 469 13.787 7.975 1.797 1.00 0.00 N ATOM 1216 CA ARG A 469 13.110 7.453 2.951 1.00 0.00 C ATOM 1217 C ARG A 469 12.162 8.500 3.543 1.00 0.00 C ATOM 1218 O ARG A 469 12.532 9.669 3.735 1.00 0.00 O ATOM 1219 CB ARG A 469 14.140 7.009 4.003 1.00 0.00 C ATOM 1220 CG ARG A 469 13.552 6.678 5.364 1.00 0.00 C ATOM 1221 CD ARG A 469 12.618 5.490 5.327 1.00 0.00 C ATOM 1222 NE ARG A 469 11.890 5.387 6.587 1.00 0.00 N ATOM 1223 CZ ARG A 469 12.227 4.600 7.615 1.00 0.00 C ATOM 1224 NH1 ARG A 469 13.298 3.802 7.533 1.00 0.00 N ATOM 1225 NH2 ARG A 469 11.500 4.626 8.732 1.00 0.00 N ATOM 0 H ARG A 469 14.738 8.290 1.987 1.00 0.00 H new ATOM 0 HA ARG A 469 12.516 6.591 2.647 1.00 0.00 H new ATOM 0 HB2 ARG A 469 14.669 6.133 3.627 1.00 0.00 H new ATOM 0 HB3 ARG A 469 14.880 7.800 4.124 1.00 0.00 H new ATOM 0 HG2 ARG A 469 14.362 6.476 6.065 1.00 0.00 H new ATOM 0 HG3 ARG A 469 13.013 7.546 5.742 1.00 0.00 H new ATOM 0 HD2 ARG A 469 11.916 5.595 4.500 1.00 0.00 H new ATOM 0 HD3 ARG A 469 13.186 4.576 5.150 1.00 0.00 H new ATOM 0 HE ARG A 469 11.055 5.963 6.693 1.00 0.00 H new ATOM 0 HH11 ARG A 469 13.862 3.792 6.683 1.00 0.00 H new ATOM 0 HH12 ARG A 469 13.550 3.204 8.320 1.00 0.00 H new ATOM 0 HH21 ARG A 469 10.691 5.244 8.800 1.00 0.00 H new ATOM 0 HH22 ARG A 469 11.752 4.028 9.519 1.00 0.00 H new ATOM 1239 N VAL A 470 10.953 8.076 3.811 1.00 0.00 N ATOM 1240 CA VAL A 470 9.946 8.885 4.455 1.00 0.00 C ATOM 1241 C VAL A 470 9.249 8.043 5.523 1.00 0.00 C ATOM 1242 O VAL A 470 9.594 6.865 5.707 1.00 0.00 O ATOM 1243 CB VAL A 470 8.910 9.509 3.451 1.00 0.00 C ATOM 1244 CG1 VAL A 470 9.559 10.596 2.603 1.00 0.00 C ATOM 1245 CG2 VAL A 470 8.314 8.452 2.543 1.00 0.00 C ATOM 0 H VAL A 470 10.632 7.135 3.582 1.00 0.00 H new ATOM 0 HA VAL A 470 10.444 9.738 4.916 1.00 0.00 H new ATOM 0 HB VAL A 470 8.111 9.949 4.048 1.00 0.00 H new ATOM 0 HG11 VAL A 470 8.821 11.011 1.917 1.00 0.00 H new ATOM 0 HG12 VAL A 470 9.937 11.386 3.252 1.00 0.00 H new ATOM 0 HG13 VAL A 470 10.384 10.169 2.033 1.00 0.00 H new ATOM 0 HG21 VAL A 470 7.602 8.917 1.861 1.00 0.00 H new ATOM 0 HG22 VAL A 470 9.109 7.976 1.968 1.00 0.00 H new ATOM 0 HG23 VAL A 470 7.802 7.701 3.145 1.00 0.00 H new ATOM 1255 N LYS A 471 8.335 8.624 6.246 1.00 0.00 N ATOM 1256 CA LYS A 471 7.619 7.899 7.285 1.00 0.00 C ATOM 1257 C LYS A 471 6.211 7.581 6.828 1.00 0.00 C ATOM 1258 O LYS A 471 5.641 6.558 7.194 1.00 0.00 O ATOM 1259 CB LYS A 471 7.575 8.712 8.581 1.00 0.00 C ATOM 1260 CG LYS A 471 8.942 9.039 9.144 1.00 0.00 C ATOM 1261 CD LYS A 471 8.843 9.879 10.401 1.00 0.00 C ATOM 1262 CE LYS A 471 10.223 10.279 10.896 1.00 0.00 C ATOM 1263 NZ LYS A 471 10.156 11.174 12.073 1.00 0.00 N ATOM 0 H LYS A 471 8.059 9.601 6.143 1.00 0.00 H new ATOM 0 HA LYS A 471 8.150 6.967 7.477 1.00 0.00 H new ATOM 0 HB2 LYS A 471 7.036 9.642 8.398 1.00 0.00 H new ATOM 0 HB3 LYS A 471 7.008 8.157 9.328 1.00 0.00 H new ATOM 0 HG2 LYS A 471 9.475 8.114 9.365 1.00 0.00 H new ATOM 0 HG3 LYS A 471 9.526 9.573 8.394 1.00 0.00 H new ATOM 0 HD2 LYS A 471 8.251 10.772 10.201 1.00 0.00 H new ATOM 0 HD3 LYS A 471 8.322 9.319 11.177 1.00 0.00 H new ATOM 0 HE2 LYS A 471 10.788 9.384 11.154 1.00 0.00 H new ATOM 0 HE3 LYS A 471 10.765 10.778 10.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 11.120 11.421 12.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 9.639 12.041 11.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 9.662 10.690 12.850 1.00 0.00 H new ATOM 1277 N GLU A 472 5.662 8.450 6.027 1.00 0.00 N ATOM 1278 CA GLU A 472 4.325 8.295 5.530 1.00 0.00 C ATOM 1279 C GLU A 472 4.187 8.952 4.180 1.00 0.00 C ATOM 1280 O GLU A 472 5.050 9.737 3.776 1.00 0.00 O ATOM 1281 CB GLU A 472 3.316 8.866 6.530 1.00 0.00 C ATOM 1282 CG GLU A 472 3.629 10.269 6.962 1.00 0.00 C ATOM 1283 CD GLU A 472 2.686 10.803 7.990 1.00 0.00 C ATOM 1284 OE1 GLU A 472 2.951 10.658 9.192 1.00 0.00 O ATOM 1285 OE2 GLU A 472 1.680 11.435 7.624 1.00 0.00 O ATOM 0 H GLU A 472 6.134 9.292 5.698 1.00 0.00 H new ATOM 0 HA GLU A 472 4.115 7.232 5.409 1.00 0.00 H new ATOM 0 HB2 GLU A 472 2.322 8.845 6.083 1.00 0.00 H new ATOM 0 HB3 GLU A 472 3.284 8.222 7.409 1.00 0.00 H new ATOM 0 HG2 GLU A 472 4.643 10.300 7.361 1.00 0.00 H new ATOM 0 HG3 GLU A 472 3.610 10.922 6.089 1.00 0.00 H new ATOM 1292 N ALA A 473 3.141 8.610 3.488 1.00 0.00 N ATOM 1293 CA ALA A 473 2.847 9.151 2.192 1.00 0.00 C ATOM 1294 C ALA A 473 1.356 9.305 2.054 1.00 0.00 C ATOM 1295 O ALA A 473 0.587 8.535 2.663 1.00 0.00 O ATOM 1296 CB ALA A 473 3.381 8.241 1.109 1.00 0.00 C ATOM 0 H ALA A 473 2.453 7.932 3.815 1.00 0.00 H new ATOM 0 HA ALA A 473 3.327 10.124 2.086 1.00 0.00 H new ATOM 0 HB1 ALA A 473 3.150 8.664 0.131 1.00 0.00 H new ATOM 0 HB2 ALA A 473 4.461 8.143 1.216 1.00 0.00 H new ATOM 0 HB3 ALA A 473 2.917 7.259 1.198 1.00 0.00 H new ATOM 1302 N GLY A 474 0.943 10.270 1.270 1.00 0.00 N ATOM 1303 CA GLY A 474 -0.455 10.533 1.103 1.00 0.00 C ATOM 1304 C GLY A 474 -1.034 9.743 -0.042 1.00 0.00 C ATOM 1305 O GLY A 474 -0.291 9.106 -0.788 1.00 0.00 O ATOM 0 H GLY A 474 1.560 10.884 0.739 1.00 0.00 H new ATOM 0 HA2 GLY A 474 -0.985 10.284 2.022 1.00 0.00 H new ATOM 0 HA3 GLY A 474 -0.607 11.598 0.925 1.00 0.00 H new ATOM 1309 N PRO A 475 -2.357 9.766 -0.219 1.00 0.00 N ATOM 1310 CA PRO A 475 -3.025 9.024 -1.281 1.00 0.00 C ATOM 1311 C PRO A 475 -2.662 9.533 -2.660 1.00 0.00 C ATOM 1312 O PRO A 475 -2.196 10.683 -2.814 1.00 0.00 O ATOM 1313 CB PRO A 475 -4.511 9.234 -1.009 1.00 0.00 C ATOM 1314 CG PRO A 475 -4.575 10.478 -0.198 1.00 0.00 C ATOM 1315 CD PRO A 475 -3.312 10.520 0.607 1.00 0.00 C ATOM 0 HA PRO A 475 -2.730 7.975 -1.277 1.00 0.00 H new ATOM 0 HB2 PRO A 475 -5.073 9.337 -1.937 1.00 0.00 H new ATOM 0 HB3 PRO A 475 -4.938 8.388 -0.471 1.00 0.00 H new ATOM 0 HG2 PRO A 475 -4.657 11.356 -0.839 1.00 0.00 H new ATOM 0 HG3 PRO A 475 -5.450 10.474 0.452 1.00 0.00 H new ATOM 0 HD2 PRO A 475 -2.977 11.543 0.776 1.00 0.00 H new ATOM 0 HD3 PRO A 475 -3.445 10.062 1.587 1.00 0.00 H new ATOM 1323 N SER A 476 -2.857 8.666 -3.647 1.00 0.00 N ATOM 1324 CA SER A 476 -2.584 8.937 -5.052 1.00 0.00 C ATOM 1325 C SER A 476 -1.073 9.020 -5.323 1.00 0.00 C ATOM 1326 O SER A 476 -0.635 9.489 -6.382 1.00 0.00 O ATOM 1327 CB SER A 476 -3.320 10.204 -5.515 1.00 0.00 C ATOM 1328 OG SER A 476 -4.719 10.098 -5.243 1.00 0.00 O ATOM 0 H SER A 476 -3.221 7.727 -3.486 1.00 0.00 H new ATOM 0 HA SER A 476 -2.966 8.102 -5.639 1.00 0.00 H new ATOM 0 HB2 SER A 476 -2.910 11.076 -5.006 1.00 0.00 H new ATOM 0 HB3 SER A 476 -3.162 10.354 -6.583 1.00 0.00 H new ATOM 0 HG SER A 476 -5.173 10.913 -5.542 1.00 0.00 H new ATOM 1334 N MET A 477 -0.289 8.510 -4.389 1.00 0.00 N ATOM 1335 CA MET A 477 1.149 8.541 -4.497 1.00 0.00 C ATOM 1336 C MET A 477 1.742 7.130 -4.564 1.00 0.00 C ATOM 1337 O MET A 477 1.277 6.224 -3.859 1.00 0.00 O ATOM 1338 CB MET A 477 1.755 9.313 -3.320 1.00 0.00 C ATOM 1339 CG MET A 477 3.268 9.261 -3.282 1.00 0.00 C ATOM 1340 SD MET A 477 3.986 10.318 -2.013 1.00 0.00 S ATOM 1341 CE MET A 477 5.726 10.057 -2.315 1.00 0.00 C ATOM 0 H MET A 477 -0.635 8.065 -3.539 1.00 0.00 H new ATOM 0 HA MET A 477 1.399 9.052 -5.427 1.00 0.00 H new ATOM 0 HB2 MET A 477 1.436 10.354 -3.375 1.00 0.00 H new ATOM 0 HB3 MET A 477 1.361 8.908 -2.388 1.00 0.00 H new ATOM 0 HG2 MET A 477 3.585 8.232 -3.110 1.00 0.00 H new ATOM 0 HG3 MET A 477 3.659 9.557 -4.255 1.00 0.00 H new ATOM 0 HE1 MET A 477 6.310 10.645 -1.608 1.00 0.00 H new ATOM 0 HE2 MET A 477 5.962 9.000 -2.191 1.00 0.00 H new ATOM 0 HE3 MET A 477 5.969 10.366 -3.332 1.00 0.00 H new ATOM 1351 N PRO A 478 2.741 6.910 -5.459 1.00 0.00 N ATOM 1352 CA PRO A 478 3.456 5.642 -5.536 1.00 0.00 C ATOM 1353 C PRO A 478 4.560 5.563 -4.484 1.00 0.00 C ATOM 1354 O PRO A 478 5.439 6.444 -4.424 1.00 0.00 O ATOM 1355 CB PRO A 478 4.130 5.675 -6.911 1.00 0.00 C ATOM 1356 CG PRO A 478 3.798 6.992 -7.537 1.00 0.00 C ATOM 1357 CD PRO A 478 3.217 7.865 -6.474 1.00 0.00 C ATOM 0 HA PRO A 478 2.782 4.800 -5.380 1.00 0.00 H new ATOM 0 HB2 PRO A 478 5.209 5.557 -6.813 1.00 0.00 H new ATOM 0 HB3 PRO A 478 3.775 4.853 -7.533 1.00 0.00 H new ATOM 0 HG2 PRO A 478 4.691 7.450 -7.962 1.00 0.00 H new ATOM 0 HG3 PRO A 478 3.088 6.859 -8.354 1.00 0.00 H new ATOM 0 HD2 PRO A 478 3.962 8.547 -6.064 1.00 0.00 H new ATOM 0 HD3 PRO A 478 2.403 8.478 -6.860 1.00 0.00 H new ATOM 1365 N VAL A 479 4.540 4.520 -3.694 1.00 0.00 N ATOM 1366 CA VAL A 479 5.554 4.288 -2.675 1.00 0.00 C ATOM 1367 C VAL A 479 5.851 2.817 -2.558 1.00 0.00 C ATOM 1368 O VAL A 479 5.041 1.981 -2.974 1.00 0.00 O ATOM 1369 CB VAL A 479 5.161 4.832 -1.263 1.00 0.00 C ATOM 1370 CG1 VAL A 479 5.179 6.345 -1.229 1.00 0.00 C ATOM 1371 CG2 VAL A 479 3.792 4.316 -0.839 1.00 0.00 C ATOM 0 H VAL A 479 3.820 3.799 -3.733 1.00 0.00 H new ATOM 0 HA VAL A 479 6.434 4.839 -3.005 1.00 0.00 H new ATOM 0 HB VAL A 479 5.906 4.465 -0.557 1.00 0.00 H new ATOM 0 HG11 VAL A 479 4.901 6.690 -0.233 1.00 0.00 H new ATOM 0 HG12 VAL A 479 6.180 6.702 -1.471 1.00 0.00 H new ATOM 0 HG13 VAL A 479 4.469 6.734 -1.959 1.00 0.00 H new ATOM 0 HG21 VAL A 479 3.544 4.710 0.147 1.00 0.00 H new ATOM 0 HG22 VAL A 479 3.041 4.641 -1.559 1.00 0.00 H new ATOM 0 HG23 VAL A 479 3.810 3.227 -0.800 1.00 0.00 H new ATOM 1381 N GLU A 480 7.005 2.512 -2.038 1.00 0.00 N ATOM 1382 CA GLU A 480 7.407 1.162 -1.799 1.00 0.00 C ATOM 1383 C GLU A 480 7.471 0.927 -0.312 1.00 0.00 C ATOM 1384 O GLU A 480 8.192 1.635 0.411 1.00 0.00 O ATOM 1385 CB GLU A 480 8.769 0.864 -2.416 1.00 0.00 C ATOM 1386 CG GLU A 480 8.858 1.187 -3.880 1.00 0.00 C ATOM 1387 CD GLU A 480 10.148 0.751 -4.491 1.00 0.00 C ATOM 1388 OE1 GLU A 480 11.190 1.353 -4.200 1.00 0.00 O ATOM 1389 OE2 GLU A 480 10.140 -0.187 -5.282 1.00 0.00 O ATOM 0 H GLU A 480 7.701 3.206 -1.765 1.00 0.00 H new ATOM 0 HA GLU A 480 6.676 0.499 -2.262 1.00 0.00 H new ATOM 0 HB2 GLU A 480 9.531 1.432 -1.882 1.00 0.00 H new ATOM 0 HB3 GLU A 480 8.999 -0.192 -2.272 1.00 0.00 H new ATOM 0 HG2 GLU A 480 8.032 0.706 -4.404 1.00 0.00 H new ATOM 0 HG3 GLU A 480 8.741 2.262 -4.018 1.00 0.00 H new ATOM 1396 N ILE A 481 6.708 -0.021 0.143 1.00 0.00 N ATOM 1397 CA ILE A 481 6.707 -0.386 1.538 1.00 0.00 C ATOM 1398 C ILE A 481 7.576 -1.591 1.748 1.00 0.00 C ATOM 1399 O ILE A 481 8.039 -2.218 0.781 1.00 0.00 O ATOM 1400 CB ILE A 481 5.299 -0.700 2.067 1.00 0.00 C ATOM 1401 CG1 ILE A 481 4.651 -1.858 1.293 1.00 0.00 C ATOM 1402 CG2 ILE A 481 4.450 0.542 2.008 1.00 0.00 C ATOM 1403 CD1 ILE A 481 3.319 -2.294 1.857 1.00 0.00 C ATOM 0 H ILE A 481 6.068 -0.565 -0.436 1.00 0.00 H new ATOM 0 HA ILE A 481 7.090 0.473 2.088 1.00 0.00 H new ATOM 0 HB ILE A 481 5.380 -1.022 3.105 1.00 0.00 H new ATOM 0 HG12 ILE A 481 4.515 -1.558 0.254 1.00 0.00 H new ATOM 0 HG13 ILE A 481 5.332 -2.709 1.293 1.00 0.00 H new ATOM 0 HG21 ILE A 481 3.451 0.318 2.383 1.00 0.00 H new ATOM 0 HG22 ILE A 481 4.902 1.321 2.621 1.00 0.00 H new ATOM 0 HG23 ILE A 481 4.381 0.887 0.976 1.00 0.00 H new ATOM 0 HD11 ILE A 481 2.922 -3.115 1.260 1.00 0.00 H new ATOM 0 HD12 ILE A 481 3.451 -2.626 2.887 1.00 0.00 H new ATOM 0 HD13 ILE A 481 2.622 -1.457 1.832 1.00 0.00 H new ATOM 1415 N THR A 482 7.768 -1.929 2.984 1.00 0.00 N ATOM 1416 CA THR A 482 8.595 -3.026 3.390 1.00 0.00 C ATOM 1417 C THR A 482 8.015 -3.624 4.643 1.00 0.00 C ATOM 1418 O THR A 482 7.188 -2.979 5.307 1.00 0.00 O ATOM 1419 CB THR A 482 10.012 -2.526 3.698 1.00 0.00 C ATOM 1420 OG1 THR A 482 9.918 -1.269 4.384 1.00 0.00 O ATOM 1421 CG2 THR A 482 10.841 -2.378 2.438 1.00 0.00 C ATOM 0 H THR A 482 7.340 -1.433 3.766 1.00 0.00 H new ATOM 0 HA THR A 482 8.637 -3.766 2.591 1.00 0.00 H new ATOM 0 HB THR A 482 10.514 -3.261 4.327 1.00 0.00 H new ATOM 0 HG1 THR A 482 9.918 -0.539 3.730 1.00 0.00 H new ATOM 0 HG21 THR A 482 11.838 -2.022 2.698 1.00 0.00 H new ATOM 0 HG22 THR A 482 10.919 -3.344 1.939 1.00 0.00 H new ATOM 0 HG23 THR A 482 10.363 -1.662 1.770 1.00 0.00 H new ATOM 1429 N GLY A 483 8.423 -4.821 4.972 1.00 0.00 N ATOM 1430 CA GLY A 483 7.977 -5.433 6.189 1.00 0.00 C ATOM 1431 C GLY A 483 6.794 -6.352 6.020 1.00 0.00 C ATOM 1432 O GLY A 483 6.225 -6.808 7.010 1.00 0.00 O ATOM 0 H GLY A 483 9.062 -5.388 4.414 1.00 0.00 H new ATOM 0 HA2 GLY A 483 8.803 -5.997 6.623 1.00 0.00 H new ATOM 0 HA3 GLY A 483 7.716 -4.651 6.902 1.00 0.00 H new ATOM 1436 N LEU A 484 6.394 -6.624 4.784 1.00 0.00 N ATOM 1437 CA LEU A 484 5.326 -7.591 4.561 1.00 0.00 C ATOM 1438 C LEU A 484 5.895 -8.983 4.806 1.00 0.00 C ATOM 1439 O LEU A 484 5.244 -9.860 5.378 1.00 0.00 O ATOM 1440 CB LEU A 484 4.774 -7.489 3.134 1.00 0.00 C ATOM 1441 CG LEU A 484 3.571 -8.388 2.821 1.00 0.00 C ATOM 1442 CD1 LEU A 484 2.360 -7.982 3.641 1.00 0.00 C ATOM 1443 CD2 LEU A 484 3.247 -8.368 1.346 1.00 0.00 C ATOM 0 H LEU A 484 6.781 -6.201 3.940 1.00 0.00 H new ATOM 0 HA LEU A 484 4.501 -7.388 5.243 1.00 0.00 H new ATOM 0 HB2 LEU A 484 4.489 -6.454 2.947 1.00 0.00 H new ATOM 0 HB3 LEU A 484 5.576 -7.730 2.436 1.00 0.00 H new ATOM 0 HG LEU A 484 3.840 -9.408 3.095 1.00 0.00 H new ATOM 0 HD11 LEU A 484 1.522 -8.635 3.400 1.00 0.00 H new ATOM 0 HD12 LEU A 484 2.594 -8.068 4.702 1.00 0.00 H new ATOM 0 HD13 LEU A 484 2.094 -6.950 3.411 1.00 0.00 H new ATOM 0 HD21 LEU A 484 2.390 -9.014 1.153 1.00 0.00 H new ATOM 0 HD22 LEU A 484 3.010 -7.349 1.039 1.00 0.00 H new ATOM 0 HD23 LEU A 484 4.107 -8.727 0.780 1.00 0.00 H new ATOM 1455 N HIS A 485 7.139 -9.136 4.351 1.00 0.00 N ATOM 1456 CA HIS A 485 7.967 -10.332 4.508 1.00 0.00 C ATOM 1457 C HIS A 485 7.300 -11.557 3.848 1.00 0.00 C ATOM 1458 O HIS A 485 7.505 -12.713 4.235 1.00 0.00 O ATOM 1459 CB HIS A 485 8.297 -10.550 5.992 1.00 0.00 C ATOM 1460 CG HIS A 485 9.434 -11.501 6.239 1.00 0.00 C ATOM 1461 ND1 HIS A 485 9.308 -12.718 6.863 1.00 0.00 N ATOM 1462 CD2 HIS A 485 10.750 -11.372 5.940 1.00 0.00 C ATOM 1463 CE1 HIS A 485 10.511 -13.279 6.922 1.00 0.00 C ATOM 1464 NE2 HIS A 485 11.428 -12.500 6.373 1.00 0.00 N ATOM 0 H HIS A 485 7.619 -8.395 3.839 1.00 0.00 H new ATOM 0 HA HIS A 485 8.914 -10.189 3.987 1.00 0.00 H new ATOM 0 HB2 HIS A 485 8.539 -9.588 6.444 1.00 0.00 H new ATOM 0 HB3 HIS A 485 7.408 -10.926 6.499 1.00 0.00 H new ATOM 0 HD2 HIS A 485 11.199 -10.524 5.443 1.00 0.00 H new ATOM 0 HE1 HIS A 485 10.714 -14.245 7.361 1.00 0.00 H new ATOM 0 HE2 HIS A 485 12.426 -12.690 6.286 1.00 0.00 H new ATOM 1472 N ASP A 486 6.560 -11.276 2.820 1.00 0.00 N ATOM 1473 CA ASP A 486 5.898 -12.265 2.013 1.00 0.00 C ATOM 1474 C ASP A 486 6.029 -11.773 0.602 1.00 0.00 C ATOM 1475 O ASP A 486 6.616 -10.701 0.397 1.00 0.00 O ATOM 1476 CB ASP A 486 4.426 -12.419 2.419 1.00 0.00 C ATOM 1477 CG ASP A 486 3.719 -13.594 1.753 1.00 0.00 C ATOM 1478 OD1 ASP A 486 4.218 -14.734 1.849 1.00 0.00 O ATOM 1479 OD2 ASP A 486 2.648 -13.408 1.142 1.00 0.00 O ATOM 0 H ASP A 486 6.392 -10.320 2.506 1.00 0.00 H new ATOM 0 HA ASP A 486 6.342 -13.253 2.137 1.00 0.00 H new ATOM 0 HB2 ASP A 486 4.369 -12.540 3.501 1.00 0.00 H new ATOM 0 HB3 ASP A 486 3.894 -11.500 2.172 1.00 0.00 H new ATOM 1484 N VAL A 487 5.518 -12.488 -0.347 1.00 0.00 N ATOM 1485 CA VAL A 487 5.690 -12.132 -1.726 1.00 0.00 C ATOM 1486 C VAL A 487 4.480 -11.329 -2.213 1.00 0.00 C ATOM 1487 O VAL A 487 3.375 -11.862 -2.317 1.00 0.00 O ATOM 1488 CB VAL A 487 5.869 -13.401 -2.601 1.00 0.00 C ATOM 1489 CG1 VAL A 487 6.221 -13.040 -4.040 1.00 0.00 C ATOM 1490 CG2 VAL A 487 6.919 -14.323 -1.994 1.00 0.00 C ATOM 0 H VAL A 487 4.970 -13.334 -0.193 1.00 0.00 H new ATOM 0 HA VAL A 487 6.588 -11.520 -1.816 1.00 0.00 H new ATOM 0 HB VAL A 487 4.918 -13.932 -2.623 1.00 0.00 H new ATOM 0 HG11 VAL A 487 6.339 -13.952 -4.625 1.00 0.00 H new ATOM 0 HG12 VAL A 487 5.423 -12.434 -4.469 1.00 0.00 H new ATOM 0 HG13 VAL A 487 7.153 -12.475 -4.056 1.00 0.00 H new ATOM 0 HG21 VAL A 487 7.032 -15.208 -2.620 1.00 0.00 H new ATOM 0 HG22 VAL A 487 7.872 -13.798 -1.932 1.00 0.00 H new ATOM 0 HG23 VAL A 487 6.605 -14.624 -0.994 1.00 0.00 H new ATOM 1500 N PRO A 488 4.646 -10.030 -2.469 1.00 0.00 N ATOM 1501 CA PRO A 488 3.578 -9.223 -2.997 1.00 0.00 C ATOM 1502 C PRO A 488 3.469 -9.435 -4.507 1.00 0.00 C ATOM 1503 O PRO A 488 4.401 -9.968 -5.141 1.00 0.00 O ATOM 1504 CB PRO A 488 4.001 -7.776 -2.673 1.00 0.00 C ATOM 1505 CG PRO A 488 5.360 -7.867 -2.030 1.00 0.00 C ATOM 1506 CD PRO A 488 5.874 -9.252 -2.284 1.00 0.00 C ATOM 0 HA PRO A 488 2.604 -9.469 -2.574 1.00 0.00 H new ATOM 0 HB2 PRO A 488 4.039 -7.170 -3.578 1.00 0.00 H new ATOM 0 HB3 PRO A 488 3.284 -7.302 -2.002 1.00 0.00 H new ATOM 0 HG2 PRO A 488 6.036 -7.122 -2.450 1.00 0.00 H new ATOM 0 HG3 PRO A 488 5.294 -7.670 -0.960 1.00 0.00 H new ATOM 0 HD2 PRO A 488 6.513 -9.290 -3.166 1.00 0.00 H new ATOM 0 HD3 PRO A 488 6.465 -9.623 -1.447 1.00 0.00 H new ATOM 1514 N GLN A 489 2.372 -9.035 -5.090 1.00 0.00 N ATOM 1515 CA GLN A 489 2.173 -9.223 -6.471 1.00 0.00 C ATOM 1516 C GLN A 489 1.708 -7.945 -7.114 1.00 0.00 C ATOM 1517 O GLN A 489 0.925 -7.184 -6.537 1.00 0.00 O ATOM 1518 CB GLN A 489 1.167 -10.326 -6.683 1.00 0.00 C ATOM 1519 CG GLN A 489 0.794 -10.561 -8.112 1.00 0.00 C ATOM 1520 CD GLN A 489 -0.216 -11.680 -8.312 1.00 0.00 C ATOM 1521 OE1 GLN A 489 -0.189 -12.369 -9.321 1.00 0.00 O ATOM 1522 NE2 GLN A 489 -1.135 -11.841 -7.396 1.00 0.00 N ATOM 0 H GLN A 489 1.602 -8.572 -4.608 1.00 0.00 H new ATOM 0 HA GLN A 489 3.116 -9.507 -6.937 1.00 0.00 H new ATOM 0 HB2 GLN A 489 1.569 -11.251 -6.269 1.00 0.00 H new ATOM 0 HB3 GLN A 489 0.264 -10.090 -6.119 1.00 0.00 H new ATOM 0 HG2 GLN A 489 0.386 -9.639 -8.527 1.00 0.00 H new ATOM 0 HG3 GLN A 489 1.696 -10.794 -8.679 1.00 0.00 H new ATOM 0 HE21 GLN A 489 -1.134 -11.252 -6.563 1.00 0.00 H new ATOM 0 HE22 GLN A 489 -1.853 -12.556 -7.514 1.00 0.00 H new ATOM 1531 N ALA A 490 2.222 -7.706 -8.266 1.00 0.00 N ATOM 1532 CA ALA A 490 1.830 -6.575 -9.080 1.00 0.00 C ATOM 1533 C ALA A 490 0.427 -6.808 -9.622 1.00 0.00 C ATOM 1534 O ALA A 490 0.122 -7.903 -10.123 1.00 0.00 O ATOM 1535 CB ALA A 490 2.803 -6.388 -10.231 1.00 0.00 C ATOM 0 H ALA A 490 2.941 -8.291 -8.692 1.00 0.00 H new ATOM 0 HA ALA A 490 1.841 -5.674 -8.467 1.00 0.00 H new ATOM 0 HB1 ALA A 490 2.494 -5.534 -10.833 1.00 0.00 H new ATOM 0 HB2 ALA A 490 3.804 -6.211 -9.836 1.00 0.00 H new ATOM 0 HB3 ALA A 490 2.811 -7.285 -10.850 1.00 0.00 H new ATOM 1541 N GLY A 491 -0.429 -5.818 -9.502 1.00 0.00 N ATOM 1542 CA GLY A 491 -1.778 -5.971 -9.983 1.00 0.00 C ATOM 1543 C GLY A 491 -2.685 -6.559 -8.935 1.00 0.00 C ATOM 1544 O GLY A 491 -3.863 -6.806 -9.186 1.00 0.00 O ATOM 0 H GLY A 491 -0.217 -4.913 -9.082 1.00 0.00 H new ATOM 0 HA2 GLY A 491 -2.165 -5.001 -10.294 1.00 0.00 H new ATOM 0 HA3 GLY A 491 -1.778 -6.612 -10.865 1.00 0.00 H new ATOM 1548 N ASP A 492 -2.129 -6.825 -7.768 1.00 0.00 N ATOM 1549 CA ASP A 492 -2.883 -7.370 -6.681 1.00 0.00 C ATOM 1550 C ASP A 492 -3.466 -6.204 -5.908 1.00 0.00 C ATOM 1551 O ASP A 492 -3.264 -5.036 -6.278 1.00 0.00 O ATOM 1552 CB ASP A 492 -1.981 -8.168 -5.762 1.00 0.00 C ATOM 1553 CG ASP A 492 -2.700 -9.269 -5.032 1.00 0.00 C ATOM 1554 OD1 ASP A 492 -3.427 -8.976 -4.096 1.00 0.00 O ATOM 1555 OD2 ASP A 492 -2.538 -10.447 -5.390 1.00 0.00 O ATOM 0 H ASP A 492 -1.144 -6.666 -7.558 1.00 0.00 H new ATOM 0 HA ASP A 492 -3.664 -8.030 -7.059 1.00 0.00 H new ATOM 0 HB2 ASP A 492 -1.168 -8.599 -6.347 1.00 0.00 H new ATOM 0 HB3 ASP A 492 -1.528 -7.495 -5.034 1.00 0.00 H new ATOM 1560 N ARG A 493 -4.067 -6.480 -4.817 1.00 0.00 N ATOM 1561 CA ARG A 493 -4.795 -5.495 -4.113 1.00 0.00 C ATOM 1562 C ARG A 493 -4.374 -5.443 -2.666 1.00 0.00 C ATOM 1563 O ARG A 493 -3.876 -6.436 -2.104 1.00 0.00 O ATOM 1564 CB ARG A 493 -6.298 -5.753 -4.260 1.00 0.00 C ATOM 1565 CG ARG A 493 -6.882 -6.973 -3.506 1.00 0.00 C ATOM 1566 CD ARG A 493 -6.374 -8.317 -4.028 1.00 0.00 C ATOM 1567 NE ARG A 493 -6.990 -9.454 -3.313 1.00 0.00 N ATOM 1568 CZ ARG A 493 -6.404 -10.646 -3.090 1.00 0.00 C ATOM 1569 NH1 ARG A 493 -5.125 -10.835 -3.377 1.00 0.00 N ATOM 1570 NH2 ARG A 493 -7.097 -11.630 -2.530 1.00 0.00 N ATOM 0 H ARG A 493 -4.069 -7.402 -4.382 1.00 0.00 H new ATOM 0 HA ARG A 493 -4.576 -4.518 -4.543 1.00 0.00 H new ATOM 0 HB2 ARG A 493 -6.828 -4.862 -3.924 1.00 0.00 H new ATOM 0 HB3 ARG A 493 -6.518 -5.874 -5.321 1.00 0.00 H new ATOM 0 HG2 ARG A 493 -6.635 -6.887 -2.448 1.00 0.00 H new ATOM 0 HG3 ARG A 493 -7.969 -6.950 -3.583 1.00 0.00 H new ATOM 0 HD2 ARG A 493 -6.590 -8.398 -5.093 1.00 0.00 H new ATOM 0 HD3 ARG A 493 -5.291 -8.363 -3.918 1.00 0.00 H new ATOM 0 HE ARG A 493 -7.938 -9.325 -2.959 1.00 0.00 H new ATOM 0 HH11 ARG A 493 -4.573 -10.073 -3.771 1.00 0.00 H new ATOM 0 HH12 ARG A 493 -4.692 -11.742 -3.204 1.00 0.00 H new ATOM 0 HH21 ARG A 493 -8.072 -11.483 -2.269 1.00 0.00 H new ATOM 0 HH22 ARG A 493 -6.654 -12.533 -2.361 1.00 0.00 H new ATOM 1584 N PHE A 494 -4.544 -4.301 -2.073 1.00 0.00 N ATOM 1585 CA PHE A 494 -4.167 -4.111 -0.701 1.00 0.00 C ATOM 1586 C PHE A 494 -5.128 -3.160 -0.025 1.00 0.00 C ATOM 1587 O PHE A 494 -5.873 -2.430 -0.693 1.00 0.00 O ATOM 1588 CB PHE A 494 -2.729 -3.541 -0.609 1.00 0.00 C ATOM 1589 CG PHE A 494 -2.587 -2.174 -1.208 1.00 0.00 C ATOM 1590 CD1 PHE A 494 -2.895 -1.048 -0.471 1.00 0.00 C ATOM 1591 CD2 PHE A 494 -2.182 -2.018 -2.504 1.00 0.00 C ATOM 1592 CE1 PHE A 494 -2.800 0.200 -1.017 1.00 0.00 C ATOM 1593 CE2 PHE A 494 -2.088 -0.772 -3.053 1.00 0.00 C ATOM 1594 CZ PHE A 494 -2.398 0.335 -2.311 1.00 0.00 C ATOM 0 H PHE A 494 -4.945 -3.477 -2.521 1.00 0.00 H new ATOM 0 HA PHE A 494 -4.200 -5.078 -0.199 1.00 0.00 H new ATOM 0 HB2 PHE A 494 -2.428 -3.503 0.438 1.00 0.00 H new ATOM 0 HB3 PHE A 494 -2.044 -4.223 -1.113 1.00 0.00 H new ATOM 0 HD1 PHE A 494 -3.216 -1.156 0.554 1.00 0.00 H new ATOM 0 HD2 PHE A 494 -1.935 -2.886 -3.097 1.00 0.00 H new ATOM 0 HE1 PHE A 494 -3.042 1.072 -0.428 1.00 0.00 H new ATOM 0 HE2 PHE A 494 -1.767 -0.659 -4.078 1.00 0.00 H new ATOM 0 HZ PHE A 494 -2.324 1.318 -2.753 1.00 0.00 H new ATOM 1604 N MET A 495 -5.069 -3.133 1.272 1.00 0.00 N ATOM 1605 CA MET A 495 -5.835 -2.221 2.069 1.00 0.00 C ATOM 1606 C MET A 495 -4.914 -1.597 3.104 1.00 0.00 C ATOM 1607 O MET A 495 -4.236 -2.310 3.861 1.00 0.00 O ATOM 1608 CB MET A 495 -7.005 -2.922 2.771 1.00 0.00 C ATOM 1609 CG MET A 495 -7.883 -1.972 3.586 1.00 0.00 C ATOM 1610 SD MET A 495 -9.219 -2.814 4.461 1.00 0.00 S ATOM 1611 CE MET A 495 -10.016 -1.417 5.260 1.00 0.00 C ATOM 0 H MET A 495 -4.475 -3.757 1.818 1.00 0.00 H new ATOM 0 HA MET A 495 -6.258 -1.457 1.417 1.00 0.00 H new ATOM 0 HB2 MET A 495 -7.621 -3.422 2.023 1.00 0.00 H new ATOM 0 HB3 MET A 495 -6.612 -3.696 3.430 1.00 0.00 H new ATOM 0 HG2 MET A 495 -7.261 -1.442 4.308 1.00 0.00 H new ATOM 0 HG3 MET A 495 -8.309 -1.221 2.921 1.00 0.00 H new ATOM 0 HE1 MET A 495 -10.867 -1.769 5.844 1.00 0.00 H new ATOM 0 HE2 MET A 495 -9.304 -0.920 5.919 1.00 0.00 H new ATOM 0 HE3 MET A 495 -10.362 -0.713 4.503 1.00 0.00 H new ATOM 1621 N VAL A 496 -4.855 -0.293 3.096 1.00 0.00 N ATOM 1622 CA VAL A 496 -4.078 0.460 4.046 1.00 0.00 C ATOM 1623 C VAL A 496 -5.056 1.150 4.978 1.00 0.00 C ATOM 1624 O VAL A 496 -6.080 1.675 4.523 1.00 0.00 O ATOM 1625 CB VAL A 496 -3.170 1.513 3.339 1.00 0.00 C ATOM 1626 CG1 VAL A 496 -2.409 2.334 4.350 1.00 0.00 C ATOM 1627 CG2 VAL A 496 -2.185 0.827 2.419 1.00 0.00 C ATOM 0 H VAL A 496 -5.352 0.286 2.420 1.00 0.00 H new ATOM 0 HA VAL A 496 -3.415 -0.208 4.595 1.00 0.00 H new ATOM 0 HB VAL A 496 -3.816 2.171 2.759 1.00 0.00 H new ATOM 0 HG11 VAL A 496 -1.783 3.061 3.832 1.00 0.00 H new ATOM 0 HG12 VAL A 496 -3.113 2.857 4.998 1.00 0.00 H new ATOM 0 HG13 VAL A 496 -1.780 1.678 4.952 1.00 0.00 H new ATOM 0 HG21 VAL A 496 -1.559 1.575 1.933 1.00 0.00 H new ATOM 0 HG22 VAL A 496 -1.558 0.149 2.998 1.00 0.00 H new ATOM 0 HG23 VAL A 496 -2.728 0.261 1.662 1.00 0.00 H new ATOM 1684 N GLU A 500 -9.253 7.749 10.661 1.00 0.00 N ATOM 1685 CA GLU A 500 -10.682 7.687 11.021 1.00 0.00 C ATOM 1686 C GLU A 500 -11.297 6.365 10.585 1.00 0.00 C ATOM 1687 O GLU A 500 -12.125 5.791 11.271 1.00 0.00 O ATOM 1688 CB GLU A 500 -11.485 8.819 10.373 1.00 0.00 C ATOM 1689 CG GLU A 500 -11.431 8.804 8.847 1.00 0.00 C ATOM 1690 CD GLU A 500 -12.472 9.651 8.185 1.00 0.00 C ATOM 1691 OE1 GLU A 500 -12.211 10.829 7.926 1.00 0.00 O ATOM 1692 OE2 GLU A 500 -13.566 9.127 7.848 1.00 0.00 O ATOM 0 HA GLU A 500 -10.728 7.787 12.105 1.00 0.00 H new ATOM 0 HB2 GLU A 500 -12.524 8.747 10.693 1.00 0.00 H new ATOM 0 HB3 GLU A 500 -11.106 9.776 10.733 1.00 0.00 H new ATOM 0 HG2 GLU A 500 -10.446 9.143 8.527 1.00 0.00 H new ATOM 0 HG3 GLU A 500 -11.542 7.776 8.501 1.00 0.00 H new ATOM 1699 N LYS A 501 -10.842 5.888 9.451 1.00 0.00 N ATOM 1700 CA LYS A 501 -11.382 4.721 8.810 1.00 0.00 C ATOM 1701 C LYS A 501 -11.129 3.473 9.624 1.00 0.00 C ATOM 1702 O LYS A 501 -11.973 2.585 9.704 1.00 0.00 O ATOM 1703 CB LYS A 501 -10.815 4.631 7.400 1.00 0.00 C ATOM 1704 CG LYS A 501 -11.319 5.780 6.505 1.00 0.00 C ATOM 1705 CD LYS A 501 -10.770 5.770 5.077 1.00 0.00 C ATOM 1706 CE LYS A 501 -11.253 4.588 4.267 1.00 0.00 C ATOM 1707 NZ LYS A 501 -10.780 4.669 2.873 1.00 0.00 N ATOM 0 H LYS A 501 -10.068 6.313 8.940 1.00 0.00 H new ATOM 0 HA LYS A 501 -12.466 4.807 8.741 1.00 0.00 H new ATOM 0 HB2 LYS A 501 -9.726 4.656 7.444 1.00 0.00 H new ATOM 0 HB3 LYS A 501 -11.095 3.675 6.956 1.00 0.00 H new ATOM 0 HG2 LYS A 501 -12.407 5.737 6.461 1.00 0.00 H new ATOM 0 HG3 LYS A 501 -11.056 6.729 6.973 1.00 0.00 H new ATOM 0 HD2 LYS A 501 -11.063 6.692 4.575 1.00 0.00 H new ATOM 0 HD3 LYS A 501 -9.681 5.758 5.112 1.00 0.00 H new ATOM 0 HE2 LYS A 501 -10.898 3.663 4.721 1.00 0.00 H new ATOM 0 HE3 LYS A 501 -12.342 4.553 4.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 501 -11.154 3.863 2.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 501 -11.111 5.557 2.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 501 -9.740 4.644 2.857 1.00 0.00 H new ATOM 1721 N LYS A 502 -9.981 3.422 10.221 1.00 0.00 N ATOM 1722 CA LYS A 502 -9.635 2.347 11.119 1.00 0.00 C ATOM 1723 C LYS A 502 -10.310 2.560 12.477 1.00 0.00 C ATOM 1724 O LYS A 502 -10.830 1.616 13.063 1.00 0.00 O ATOM 1725 CB LYS A 502 -8.119 2.255 11.306 1.00 0.00 C ATOM 1726 CG LYS A 502 -7.681 1.067 12.145 1.00 0.00 C ATOM 1727 CD LYS A 502 -6.187 1.058 12.385 1.00 0.00 C ATOM 1728 CE LYS A 502 -5.785 -0.136 13.236 1.00 0.00 C ATOM 1729 NZ LYS A 502 -4.346 -0.138 13.555 1.00 0.00 N ATOM 0 H LYS A 502 -9.249 4.123 10.104 1.00 0.00 H new ATOM 0 HA LYS A 502 -9.987 1.413 10.681 1.00 0.00 H new ATOM 0 HB2 LYS A 502 -7.644 2.193 10.327 1.00 0.00 H new ATOM 0 HB3 LYS A 502 -7.763 3.172 11.776 1.00 0.00 H new ATOM 0 HG2 LYS A 502 -8.201 1.089 13.103 1.00 0.00 H new ATOM 0 HG3 LYS A 502 -7.973 0.144 11.645 1.00 0.00 H new ATOM 0 HD2 LYS A 502 -5.661 1.024 11.431 1.00 0.00 H new ATOM 0 HD3 LYS A 502 -5.888 1.981 12.881 1.00 0.00 H new ATOM 0 HE2 LYS A 502 -6.360 -0.129 14.162 1.00 0.00 H new ATOM 0 HE3 LYS A 502 -6.039 -1.056 12.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 502 -3.982 -1.111 13.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 502 -3.837 0.452 12.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 502 -4.202 0.243 14.512 1.00 0.00 H new ATOM 1743 N ALA A 503 -10.346 3.817 12.944 1.00 0.00 N ATOM 1744 CA ALA A 503 -10.901 4.140 14.267 1.00 0.00 C ATOM 1745 C ALA A 503 -12.377 3.802 14.332 1.00 0.00 C ATOM 1746 O ALA A 503 -12.884 3.313 15.350 1.00 0.00 O ATOM 1747 CB ALA A 503 -10.691 5.605 14.585 1.00 0.00 C ATOM 0 H ALA A 503 -9.998 4.624 12.427 1.00 0.00 H new ATOM 0 HA ALA A 503 -10.376 3.538 15.009 1.00 0.00 H new ATOM 0 HB1 ALA A 503 -11.107 5.827 15.567 1.00 0.00 H new ATOM 0 HB2 ALA A 503 -9.624 5.828 14.584 1.00 0.00 H new ATOM 0 HB3 ALA A 503 -11.190 6.216 13.833 1.00 0.00 H new ATOM 1753 N ARG A 504 -13.038 4.040 13.228 1.00 0.00 N ATOM 1754 CA ARG A 504 -14.449 3.768 13.041 1.00 0.00 C ATOM 1755 C ARG A 504 -14.727 2.277 13.273 1.00 0.00 C ATOM 1756 O ARG A 504 -15.714 1.910 13.896 1.00 0.00 O ATOM 1757 CB ARG A 504 -14.842 4.162 11.616 1.00 0.00 C ATOM 1758 CG ARG A 504 -16.330 4.294 11.379 1.00 0.00 C ATOM 1759 CD ARG A 504 -16.641 4.527 9.904 1.00 0.00 C ATOM 1760 NE ARG A 504 -15.952 5.708 9.314 1.00 0.00 N ATOM 1761 CZ ARG A 504 -16.055 6.050 8.010 1.00 0.00 C ATOM 1762 NH1 ARG A 504 -16.873 5.358 7.213 1.00 0.00 N ATOM 1763 NH2 ARG A 504 -15.360 7.084 7.504 1.00 0.00 N ATOM 0 H ARG A 504 -12.596 4.443 12.402 1.00 0.00 H new ATOM 0 HA ARG A 504 -15.036 4.345 13.755 1.00 0.00 H new ATOM 0 HB2 ARG A 504 -14.364 5.111 11.372 1.00 0.00 H new ATOM 0 HB3 ARG A 504 -14.444 3.418 10.926 1.00 0.00 H new ATOM 0 HG2 ARG A 504 -16.836 3.391 11.721 1.00 0.00 H new ATOM 0 HG3 ARG A 504 -16.722 5.122 11.970 1.00 0.00 H new ATOM 0 HD2 ARG A 504 -16.360 3.637 9.340 1.00 0.00 H new ATOM 0 HD3 ARG A 504 -17.717 4.652 9.787 1.00 0.00 H new ATOM 0 HE ARG A 504 -15.374 6.287 9.923 1.00 0.00 H new ATOM 0 HH11 ARG A 504 -17.413 4.579 7.589 1.00 0.00 H new ATOM 0 HH12 ARG A 504 -16.958 5.608 6.228 1.00 0.00 H new ATOM 0 HH21 ARG A 504 -14.741 7.626 8.107 1.00 0.00 H new ATOM 0 HH22 ARG A 504 -15.452 7.326 6.517 1.00 0.00 H new ATOM 1777 N GLN A 505 -13.802 1.436 12.810 1.00 0.00 N ATOM 1778 CA GLN A 505 -13.920 -0.018 12.959 1.00 0.00 C ATOM 1779 C GLN A 505 -13.632 -0.406 14.399 1.00 0.00 C ATOM 1780 O GLN A 505 -14.243 -1.331 14.946 1.00 0.00 O ATOM 1781 CB GLN A 505 -12.912 -0.739 12.066 1.00 0.00 C ATOM 1782 CG GLN A 505 -12.987 -0.388 10.597 1.00 0.00 C ATOM 1783 CD GLN A 505 -11.943 -1.121 9.761 1.00 0.00 C ATOM 1784 OE1 GLN A 505 -10.817 -1.452 10.352 1.00 0.00 O flip ATOM 1785 NE2 GLN A 505 -12.159 -1.389 8.579 1.00 0.00 N flip ATOM 0 H GLN A 505 -12.957 1.738 12.325 1.00 0.00 H new ATOM 0 HA GLN A 505 -14.932 -0.305 12.674 1.00 0.00 H new ATOM 0 HB2 GLN A 505 -11.907 -0.516 12.426 1.00 0.00 H new ATOM 0 HB3 GLN A 505 -13.058 -1.814 12.174 1.00 0.00 H new ATOM 0 HG2 GLN A 505 -13.981 -0.628 10.221 1.00 0.00 H new ATOM 0 HG3 GLN A 505 -12.852 0.687 10.477 1.00 0.00 H new ATOM 0 HE21 GLN A 505 -13.043 -1.119 8.148 1.00 0.00 H new ATOM 0 HE22 GLN A 505 -11.454 -1.881 8.031 1.00 0.00 H new ATOM 1794 N ILE A 506 -12.699 0.320 15.007 1.00 0.00 N ATOM 1795 CA ILE A 506 -12.267 0.068 16.371 1.00 0.00 C ATOM 1796 C ILE A 506 -13.408 0.312 17.352 1.00 0.00 C ATOM 1797 O ILE A 506 -13.599 -0.458 18.310 1.00 0.00 O ATOM 1798 CB ILE A 506 -11.018 0.937 16.746 1.00 0.00 C ATOM 1799 CG1 ILE A 506 -9.817 0.555 15.861 1.00 0.00 C ATOM 1800 CG2 ILE A 506 -10.661 0.797 18.229 1.00 0.00 C ATOM 1801 CD1 ILE A 506 -8.566 1.381 16.110 1.00 0.00 C ATOM 0 H ILE A 506 -12.221 1.103 14.562 1.00 0.00 H new ATOM 0 HA ILE A 506 -11.973 -0.980 16.437 1.00 0.00 H new ATOM 0 HB ILE A 506 -11.270 1.982 16.566 1.00 0.00 H new ATOM 0 HG12 ILE A 506 -9.581 -0.497 16.023 1.00 0.00 H new ATOM 0 HG13 ILE A 506 -10.104 0.659 14.815 1.00 0.00 H new ATOM 0 HG21 ILE A 506 -9.790 1.413 18.453 1.00 0.00 H new ATOM 0 HG22 ILE A 506 -11.504 1.124 18.838 1.00 0.00 H new ATOM 0 HG23 ILE A 506 -10.435 -0.246 18.452 1.00 0.00 H new ATOM 0 HD11 ILE A 506 -7.770 1.046 15.445 1.00 0.00 H new ATOM 0 HD12 ILE A 506 -8.780 2.432 15.918 1.00 0.00 H new ATOM 0 HD13 ILE A 506 -8.249 1.258 17.146 1.00 0.00 H new ATOM 1813 N GLY A 507 -14.194 1.329 17.093 1.00 0.00 N ATOM 1814 CA GLY A 507 -15.275 1.634 17.964 1.00 0.00 C ATOM 1815 C GLY A 507 -15.706 3.052 17.846 1.00 0.00 C ATOM 1816 O GLY A 507 -16.776 3.413 18.331 1.00 0.00 O ATOM 0 H GLY A 507 -14.097 1.949 16.289 1.00 0.00 H new ATOM 0 HA2 GLY A 507 -16.117 0.980 17.739 1.00 0.00 H new ATOM 0 HA3 GLY A 507 -14.979 1.430 18.993 1.00 0.00 H new