USER MOD reduce.3.24.130724 H: found=0, std=0, add=1130, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1130 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 669 LYS NZ :NH3+ -118:sc= 0.364 (180deg=-0.0279) USER MOD Set 1.2: A 720 THR OG1 : rot 101:sc= -0.535 USER MOD Set 2.1: A 622 HIS : no HD1:sc= -26.5! C(o=-54!,f=-54!) USER MOD Set 2.2: A 651 HIS : no HD1:sc= -25.8! C(o=-54!,f=-58!) USER MOD Set 2.3: A 655 ASN : amide:sc= 0.605 K(o=-54,f=-56!) USER MOD Set 2.4: A 657 SER OG : rot -117:sc= -1.89 USER MOD Set 3.1: A 619 SER OG : rot -110:sc= -0.83 USER MOD Set 3.2: A 654 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 579 THR OG1 : rot 119:sc= 0.461 USER MOD Set 4.2: A 697 ASN :FLIP amide:sc= -0.245 F(o=-0.87,f=0.22) USER MOD Single : A 581 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 586 SER OG : rot -169:sc= -3.75! USER MOD Single : A 589 GLN : amide:sc= -3.84! C(o=-3.8!,f=-5.6!) USER MOD Single : A 591 SER OG : rot 180:sc= -0.248 USER MOD Single : A 595 GLN :FLIP amide:sc= -2.08 F(o=-3.7!,f=-2.1) USER MOD Single : A 596 GLN : amide:sc= -0.0451 X(o=-0.045,f=-0.061) USER MOD Single : A 599 ASN :FLIP amide:sc= -3.39 F(o=-5.4!,f=-3.4) USER MOD Single : A 606 SER OG : rot -36:sc= 0.223 USER MOD Single : A 609 CYS SG : rot -82:sc= -1.63! USER MOD Single : A 610 ASN : amide:sc= -5.2! C(o=-5.2!,f=-4.8!) USER MOD Single : A 611 CYS SG : rot 130:sc= -6.66! USER MOD Single : A 612 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 616 ASN : amide:sc= -0.204 K(o=-0.2,f=-1.3!) USER MOD Single : A 623 CYS SG : rot 7:sc= -13.8! USER MOD Single : A 627 LYS NZ :NH3+ -136:sc= -0.257 (180deg=-2.19!) USER MOD Single : A 628 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 630 HIS : no HE2:sc= -3.63! C(o=-3.6!,f=-10!) USER MOD Single : A 649 TYR OH : rot -138:sc= -3.94! USER MOD Single : A 650 CYS SG : rot 74:sc= -4.02! USER MOD Single : A 652 THR OG1 : rot 70:sc= -2.64! USER MOD Single : A 658 TYR OH : rot -86:sc= -1.39! USER MOD Single : A 660 ASN : amide:sc= -0.249 X(o=-0.25,f=-0.7) USER MOD Single : A 661 ASN : amide:sc= -0.116 K(o=-0.12,f=-1.8!) USER MOD Single : A 662 ASN : amide:sc= -4.34! C(o=-4.3!,f=-6.1!) USER MOD Single : A 664 MET CE :methyl -121:sc= -9.6! (180deg=-17.4!) USER MOD Single : A 666 GLN :FLIP amide:sc= -1.24 F(o=-2.3!,f=-1.2) USER MOD Single : A 668 THR OG1 : rot -100:sc= -1.74! USER MOD Single : A 673 GLN : amide:sc= -0.0909 K(o=-0.091,f=-1.2!) USER MOD Single : A 679 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 684 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 685 ASN : amide:sc= -0.265 K(o=-0.26,f=-2.1!) USER MOD Single : A 686 ASN : amide:sc= -0.288 K(o=-0.29,f=-2.3!) USER MOD Single : A 687 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 693 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 699 THR OG1 : rot -61:sc= 1.08 USER MOD Single : A 700 THR OG1 : rot 180:sc= 0.164 USER MOD Single : A 704 ASN : amide:sc= -1.29 K(o=-1.3,f=-2.2!) USER MOD Single : A 713 GLN : amide:sc= -0.241 K(o=-0.24,f=-1.7!) USER MOD Single : A 718 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 719 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 724 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 728 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 729 LYS NZ :NH3+ -127:sc=-0.00323 (180deg=-0.216) USER MOD ----------------------------------------------------------------- ATOM 419 N GLY A 575 146.053 -2.442 13.053 1.00 0.82 N ATOM 420 CA GLY A 575 147.120 -2.937 12.147 1.00 0.71 C ATOM 421 C GLY A 575 146.887 -2.314 10.770 1.00 0.64 C ATOM 422 O GLY A 575 147.132 -2.924 9.758 1.00 0.93 O ATOM 0 HA2 GLY A 575 148.103 -2.663 12.529 1.00 0.71 H new ATOM 0 HA3 GLY A 575 147.094 -4.025 12.084 1.00 0.71 H new ATOM 426 N ARG A 576 146.394 -1.099 10.747 1.00 0.45 N ATOM 427 CA ARG A 576 146.111 -0.385 9.469 1.00 0.40 C ATOM 428 C ARG A 576 147.165 0.686 9.233 1.00 0.38 C ATOM 429 O ARG A 576 147.640 1.322 10.153 1.00 0.47 O ATOM 430 CB ARG A 576 144.731 0.245 9.673 1.00 0.48 C ATOM 431 CG ARG A 576 144.119 0.604 8.315 1.00 0.78 C ATOM 432 CD ARG A 576 143.601 2.045 8.350 1.00 1.13 C ATOM 433 NE ARG A 576 142.423 2.016 9.265 1.00 1.04 N ATOM 434 CZ ARG A 576 141.692 3.087 9.420 1.00 1.14 C ATOM 435 NH1 ARG A 576 142.126 4.076 10.154 1.00 1.55 N ATOM 436 NH2 ARG A 576 140.526 3.173 8.840 1.00 1.56 N ATOM 0 H ARG A 576 146.171 -0.562 11.585 1.00 0.45 H new ATOM 0 HA ARG A 576 146.131 -1.046 8.602 1.00 0.40 H new ATOM 0 HB2 ARG A 576 144.079 -0.449 10.204 1.00 0.48 H new ATOM 0 HB3 ARG A 576 144.817 1.139 10.291 1.00 0.48 H new ATOM 0 HG2 ARG A 576 144.865 0.494 7.528 1.00 0.78 H new ATOM 0 HG3 ARG A 576 143.304 -0.081 8.080 1.00 0.78 H new ATOM 0 HD2 ARG A 576 144.366 2.730 8.715 1.00 1.13 H new ATOM 0 HD3 ARG A 576 143.318 2.386 7.354 1.00 1.13 H new ATOM 0 HE ARG A 576 142.189 1.161 9.769 1.00 1.04 H new ATOM 0 HH11 ARG A 576 143.037 4.013 10.607 1.00 1.55 H new ATOM 0 HH12 ARG A 576 141.554 4.912 10.274 1.00 1.55 H new ATOM 0 HH21 ARG A 576 140.185 2.403 8.265 1.00 1.56 H new ATOM 0 HH22 ARG A 576 139.956 4.010 8.962 1.00 1.56 H new ATOM 450 N PHE A 577 147.543 0.877 8.008 1.00 0.32 N ATOM 451 CA PHE A 577 148.579 1.893 7.699 1.00 0.32 C ATOM 452 C PHE A 577 148.144 2.738 6.514 1.00 0.31 C ATOM 453 O PHE A 577 148.371 3.930 6.459 1.00 0.35 O ATOM 454 CB PHE A 577 149.813 1.058 7.344 1.00 0.31 C ATOM 455 CG PHE A 577 150.480 1.563 6.084 1.00 0.31 C ATOM 456 CD1 PHE A 577 151.157 2.787 6.093 1.00 0.42 C ATOM 457 CD2 PHE A 577 150.432 0.799 4.910 1.00 0.30 C ATOM 458 CE1 PHE A 577 151.782 3.248 4.931 1.00 0.48 C ATOM 459 CE2 PHE A 577 151.060 1.259 3.751 1.00 0.35 C ATOM 460 CZ PHE A 577 151.733 2.482 3.761 1.00 0.45 C ATOM 0 H PHE A 577 147.178 0.371 7.201 1.00 0.32 H new ATOM 0 HA PHE A 577 148.762 2.583 8.522 1.00 0.32 H new ATOM 0 HB2 PHE A 577 150.524 1.088 8.170 1.00 0.31 H new ATOM 0 HB3 PHE A 577 149.522 0.016 7.211 1.00 0.31 H new ATOM 0 HD1 PHE A 577 151.197 3.376 6.998 1.00 0.42 H new ATOM 0 HD2 PHE A 577 149.909 -0.146 4.902 1.00 0.30 H new ATOM 0 HE1 PHE A 577 152.302 4.194 4.936 1.00 0.48 H new ATOM 0 HE2 PHE A 577 151.025 0.669 2.847 1.00 0.35 H new ATOM 0 HZ PHE A 577 152.217 2.838 2.864 1.00 0.45 H new ATOM 470 N LEU A 578 147.552 2.107 5.553 1.00 0.28 N ATOM 471 CA LEU A 578 147.125 2.850 4.327 1.00 0.27 C ATOM 472 C LEU A 578 145.661 2.586 3.976 1.00 0.28 C ATOM 473 O LEU A 578 145.173 1.476 4.056 1.00 0.33 O ATOM 474 CB LEU A 578 148.036 2.317 3.223 1.00 0.26 C ATOM 475 CG LEU A 578 147.803 3.094 1.926 1.00 0.32 C ATOM 476 CD1 LEU A 578 149.035 2.956 1.030 1.00 0.29 C ATOM 477 CD2 LEU A 578 146.578 2.529 1.196 1.00 0.50 C ATOM 0 H LEU A 578 147.341 1.109 5.553 1.00 0.28 H new ATOM 0 HA LEU A 578 147.205 3.928 4.468 1.00 0.27 H new ATOM 0 HB2 LEU A 578 149.079 2.407 3.527 1.00 0.26 H new ATOM 0 HB3 LEU A 578 147.841 1.257 3.061 1.00 0.26 H new ATOM 0 HG LEU A 578 147.630 4.145 2.159 1.00 0.32 H new ATOM 0 HD11 LEU A 578 148.875 3.508 0.104 1.00 0.29 H new ATOM 0 HD12 LEU A 578 149.907 3.358 1.546 1.00 0.29 H new ATOM 0 HD13 LEU A 578 149.202 1.904 0.801 1.00 0.29 H new ATOM 0 HD21 LEU A 578 146.416 3.085 0.273 1.00 0.50 H new ATOM 0 HD22 LEU A 578 146.747 1.478 0.961 1.00 0.50 H new ATOM 0 HD23 LEU A 578 145.699 2.621 1.834 1.00 0.50 H new ATOM 489 N THR A 579 144.976 3.612 3.551 1.00 0.34 N ATOM 490 CA THR A 579 143.553 3.463 3.145 1.00 0.37 C ATOM 491 C THR A 579 143.442 3.775 1.650 1.00 0.36 C ATOM 492 O THR A 579 143.446 4.922 1.247 1.00 0.39 O ATOM 493 CB THR A 579 142.791 4.498 3.977 1.00 0.42 C ATOM 494 OG1 THR A 579 143.134 4.345 5.347 1.00 0.51 O ATOM 495 CG2 THR A 579 141.286 4.294 3.799 1.00 0.55 C ATOM 0 H THR A 579 145.348 4.558 3.467 1.00 0.34 H new ATOM 0 HA THR A 579 143.158 2.461 3.309 1.00 0.37 H new ATOM 0 HB THR A 579 143.059 5.501 3.644 1.00 0.42 H new ATOM 0 HG1 THR A 579 143.552 5.169 5.674 1.00 0.51 H new ATOM 0 HG21 THR A 579 140.746 5.032 4.392 1.00 0.55 H new ATOM 0 HG22 THR A 579 141.025 4.412 2.747 1.00 0.55 H new ATOM 0 HG23 THR A 579 141.013 3.292 4.130 1.00 0.55 H new ATOM 503 N LEU A 580 143.362 2.768 0.823 1.00 0.37 N ATOM 504 CA LEU A 580 143.275 3.020 -0.647 1.00 0.38 C ATOM 505 C LEU A 580 141.899 3.582 -0.997 1.00 0.41 C ATOM 506 O LEU A 580 140.911 2.879 -0.994 1.00 0.69 O ATOM 507 CB LEU A 580 143.502 1.659 -1.312 1.00 0.40 C ATOM 508 CG LEU A 580 144.867 1.647 -2.009 1.00 0.51 C ATOM 509 CD1 LEU A 580 145.095 0.281 -2.661 1.00 1.09 C ATOM 510 CD2 LEU A 580 144.912 2.738 -3.086 1.00 1.37 C ATOM 0 H LEU A 580 143.353 1.786 1.098 1.00 0.37 H new ATOM 0 HA LEU A 580 144.010 3.750 -0.986 1.00 0.38 H new ATOM 0 HB2 LEU A 580 143.457 0.866 -0.565 1.00 0.40 H new ATOM 0 HB3 LEU A 580 142.711 1.460 -2.036 1.00 0.40 H new ATOM 0 HG LEU A 580 145.647 1.837 -1.272 1.00 0.51 H new ATOM 0 HD11 LEU A 580 146.066 0.272 -3.157 1.00 1.09 H new ATOM 0 HD12 LEU A 580 145.071 -0.496 -1.897 1.00 1.09 H new ATOM 0 HD13 LEU A 580 144.311 0.093 -3.395 1.00 1.09 H new ATOM 0 HD21 LEU A 580 145.885 2.724 -3.578 1.00 1.37 H new ATOM 0 HD22 LEU A 580 144.130 2.554 -3.823 1.00 1.37 H new ATOM 0 HD23 LEU A 580 144.753 3.712 -2.624 1.00 1.37 H new ATOM 522 N LYS A 581 141.829 4.853 -1.275 1.00 0.32 N ATOM 523 CA LYS A 581 140.515 5.479 -1.594 1.00 0.32 C ATOM 524 C LYS A 581 140.312 5.629 -3.105 1.00 0.30 C ATOM 525 O LYS A 581 140.791 6.573 -3.701 1.00 0.34 O ATOM 526 CB LYS A 581 140.582 6.853 -0.937 1.00 0.39 C ATOM 527 CG LYS A 581 139.299 7.118 -0.148 1.00 0.79 C ATOM 528 CD LYS A 581 139.089 8.628 -0.021 1.00 1.21 C ATOM 529 CE LYS A 581 137.781 8.905 0.727 1.00 1.66 C ATOM 530 NZ LYS A 581 137.659 10.393 0.774 1.00 2.40 N ATOM 0 H LYS A 581 142.627 5.488 -1.295 1.00 0.32 H new ATOM 0 HA LYS A 581 139.683 4.872 -1.236 1.00 0.32 H new ATOM 0 HB2 LYS A 581 141.445 6.906 -0.273 1.00 0.39 H new ATOM 0 HB3 LYS A 581 140.717 7.623 -1.697 1.00 0.39 H new ATOM 0 HG2 LYS A 581 138.447 6.661 -0.652 1.00 0.79 H new ATOM 0 HG3 LYS A 581 139.365 6.664 0.841 1.00 0.79 H new ATOM 0 HD2 LYS A 581 139.927 9.078 0.512 1.00 1.21 H new ATOM 0 HD3 LYS A 581 139.058 9.085 -1.010 1.00 1.21 H new ATOM 0 HE2 LYS A 581 136.931 8.457 0.212 1.00 1.66 H new ATOM 0 HE3 LYS A 581 137.805 8.481 1.731 1.00 1.66 H new ATOM 0 HZ1 LYS A 581 136.785 10.654 1.273 1.00 2.40 H new ATOM 0 HZ2 LYS A 581 138.477 10.793 1.277 1.00 2.40 H new ATOM 0 HZ3 LYS A 581 137.630 10.770 -0.195 1.00 2.40 H new ATOM 544 N PRO A 582 139.577 4.709 -3.674 1.00 0.29 N ATOM 545 CA PRO A 582 139.275 4.770 -5.123 1.00 0.33 C ATOM 546 C PRO A 582 138.277 5.894 -5.327 1.00 0.32 C ATOM 547 O PRO A 582 137.378 6.072 -4.526 1.00 0.40 O ATOM 548 CB PRO A 582 138.602 3.439 -5.413 1.00 0.39 C ATOM 549 CG PRO A 582 138.003 3.064 -4.105 1.00 0.37 C ATOM 550 CD PRO A 582 138.959 3.542 -3.045 1.00 0.32 C ATOM 0 HA PRO A 582 140.145 4.941 -5.756 1.00 0.33 H new ATOM 0 HB2 PRO A 582 137.844 3.533 -6.190 1.00 0.39 H new ATOM 0 HB3 PRO A 582 139.319 2.693 -5.756 1.00 0.39 H new ATOM 0 HG2 PRO A 582 137.023 3.525 -3.980 1.00 0.37 H new ATOM 0 HG3 PRO A 582 137.858 1.986 -4.039 1.00 0.37 H new ATOM 0 HD2 PRO A 582 138.442 3.805 -2.122 1.00 0.32 H new ATOM 0 HD3 PRO A 582 139.696 2.780 -2.791 1.00 0.32 H new ATOM 558 N LEU A 583 138.409 6.663 -6.356 1.00 0.29 N ATOM 559 CA LEU A 583 137.437 7.768 -6.540 1.00 0.32 C ATOM 560 C LEU A 583 136.392 7.389 -7.594 1.00 0.28 C ATOM 561 O LEU A 583 136.397 6.285 -8.101 1.00 0.28 O ATOM 562 CB LEU A 583 138.261 8.997 -6.971 1.00 0.39 C ATOM 563 CG LEU A 583 139.706 8.899 -6.464 1.00 0.34 C ATOM 564 CD1 LEU A 583 140.600 8.361 -7.583 1.00 0.32 C ATOM 565 CD2 LEU A 583 140.193 10.290 -6.046 1.00 0.41 C ATOM 0 H LEU A 583 139.133 6.582 -7.070 1.00 0.29 H new ATOM 0 HA LEU A 583 136.886 7.980 -5.624 1.00 0.32 H new ATOM 0 HB2 LEU A 583 138.258 9.077 -8.058 1.00 0.39 H new ATOM 0 HB3 LEU A 583 137.797 9.904 -6.583 1.00 0.39 H new ATOM 0 HG LEU A 583 139.749 8.226 -5.608 1.00 0.34 H new ATOM 0 HD11 LEU A 583 141.627 8.290 -7.226 1.00 0.32 H new ATOM 0 HD12 LEU A 583 140.252 7.373 -7.884 1.00 0.32 H new ATOM 0 HD13 LEU A 583 140.559 9.036 -8.438 1.00 0.32 H new ATOM 0 HD21 LEU A 583 141.219 10.223 -5.685 1.00 0.41 H new ATOM 0 HD22 LEU A 583 140.153 10.962 -6.903 1.00 0.41 H new ATOM 0 HD23 LEU A 583 139.554 10.676 -5.252 1.00 0.41 H new ATOM 577 N PRO A 584 135.517 8.320 -7.876 1.00 0.29 N ATOM 578 CA PRO A 584 134.435 8.078 -8.861 1.00 0.32 C ATOM 579 C PRO A 584 135.008 7.951 -10.274 1.00 0.34 C ATOM 580 O PRO A 584 134.469 7.247 -11.106 1.00 0.46 O ATOM 581 CB PRO A 584 133.533 9.303 -8.716 1.00 0.36 C ATOM 582 CG PRO A 584 134.413 10.369 -8.150 1.00 0.35 C ATOM 583 CD PRO A 584 135.464 9.675 -7.321 1.00 0.32 C ATOM 0 HA PRO A 584 133.893 7.148 -8.688 1.00 0.32 H new ATOM 0 HB2 PRO A 584 133.119 9.604 -9.678 1.00 0.36 H new ATOM 0 HB3 PRO A 584 132.690 9.096 -8.057 1.00 0.36 H new ATOM 0 HG2 PRO A 584 134.873 10.953 -8.947 1.00 0.35 H new ATOM 0 HG3 PRO A 584 133.835 11.063 -7.539 1.00 0.35 H new ATOM 0 HD2 PRO A 584 136.429 10.176 -7.399 1.00 0.32 H new ATOM 0 HD3 PRO A 584 135.195 9.663 -6.265 1.00 0.32 H new ATOM 591 N ASP A 585 136.107 8.601 -10.546 1.00 0.36 N ATOM 592 CA ASP A 585 136.719 8.483 -11.902 1.00 0.42 C ATOM 593 C ASP A 585 137.246 7.056 -12.097 1.00 0.45 C ATOM 594 O ASP A 585 137.519 6.624 -13.200 1.00 0.56 O ATOM 595 CB ASP A 585 137.869 9.490 -11.914 1.00 0.46 C ATOM 596 CG ASP A 585 137.303 10.910 -11.840 1.00 0.86 C ATOM 597 OD1 ASP A 585 136.933 11.433 -12.878 1.00 1.62 O ATOM 598 OD2 ASP A 585 137.249 11.449 -10.747 1.00 1.39 O ATOM 0 H ASP A 585 136.606 9.205 -9.893 1.00 0.36 H new ATOM 0 HA ASP A 585 136.008 8.683 -12.704 1.00 0.42 H new ATOM 0 HB2 ASP A 585 138.535 9.308 -11.071 1.00 0.46 H new ATOM 0 HB3 ASP A 585 138.462 9.370 -12.820 1.00 0.46 H new ATOM 603 N SER A 586 137.383 6.324 -11.021 1.00 0.45 N ATOM 604 CA SER A 586 137.883 4.923 -11.105 1.00 0.50 C ATOM 605 C SER A 586 136.706 3.952 -11.111 1.00 0.44 C ATOM 606 O SER A 586 135.730 4.156 -10.417 1.00 0.43 O ATOM 607 CB SER A 586 138.705 4.741 -9.831 1.00 0.57 C ATOM 608 OG SER A 586 139.269 3.437 -9.813 1.00 0.86 O ATOM 0 H SER A 586 137.166 6.644 -10.077 1.00 0.45 H new ATOM 0 HA SER A 586 138.463 4.735 -12.009 1.00 0.50 H new ATOM 0 HB2 SER A 586 139.495 5.491 -9.785 1.00 0.57 H new ATOM 0 HB3 SER A 586 138.074 4.888 -8.954 1.00 0.57 H new ATOM 0 HG SER A 586 139.648 3.257 -8.927 1.00 0.86 H new ATOM 614 N ILE A 587 136.788 2.889 -11.871 1.00 0.49 N ATOM 615 CA ILE A 587 135.662 1.908 -11.885 1.00 0.47 C ATOM 616 C ILE A 587 135.345 1.503 -10.437 1.00 0.39 C ATOM 617 O ILE A 587 134.226 1.165 -10.103 1.00 0.42 O ATOM 618 CB ILE A 587 136.156 0.730 -12.742 1.00 0.56 C ATOM 619 CG1 ILE A 587 135.208 0.532 -13.933 1.00 1.26 C ATOM 620 CG2 ILE A 587 136.204 -0.560 -11.922 1.00 1.00 C ATOM 621 CD1 ILE A 587 135.934 0.888 -15.233 1.00 1.62 C ATOM 0 H ILE A 587 137.577 2.660 -12.476 1.00 0.49 H new ATOM 0 HA ILE A 587 134.738 2.304 -12.305 1.00 0.47 H new ATOM 0 HB ILE A 587 137.162 0.959 -13.094 1.00 0.56 H new ATOM 0 HG12 ILE A 587 134.864 -0.502 -13.968 1.00 1.26 H new ATOM 0 HG13 ILE A 587 134.324 1.159 -13.815 1.00 1.26 H new ATOM 0 HG21 ILE A 587 136.556 -1.378 -12.551 1.00 1.00 H new ATOM 0 HG22 ILE A 587 136.884 -0.431 -11.080 1.00 1.00 H new ATOM 0 HG23 ILE A 587 135.206 -0.792 -11.550 1.00 1.00 H new ATOM 0 HD11 ILE A 587 135.259 0.747 -16.077 1.00 1.62 H new ATOM 0 HD12 ILE A 587 136.256 1.929 -15.196 1.00 1.62 H new ATOM 0 HD13 ILE A 587 136.804 0.243 -15.352 1.00 1.62 H new ATOM 633 N ILE A 588 136.324 1.589 -9.569 1.00 0.36 N ATOM 634 CA ILE A 588 136.085 1.270 -8.131 1.00 0.36 C ATOM 635 C ILE A 588 135.606 2.548 -7.442 1.00 0.43 C ATOM 636 O ILE A 588 135.760 3.624 -7.980 1.00 0.85 O ATOM 637 CB ILE A 588 137.440 0.842 -7.573 1.00 0.40 C ATOM 638 CG1 ILE A 588 137.844 -0.499 -8.191 1.00 0.46 C ATOM 639 CG2 ILE A 588 137.351 0.700 -6.049 1.00 0.43 C ATOM 640 CD1 ILE A 588 136.769 -1.554 -7.912 1.00 0.83 C ATOM 0 H ILE A 588 137.279 1.867 -9.797 1.00 0.36 H new ATOM 0 HA ILE A 588 135.339 0.489 -7.981 1.00 0.36 H new ATOM 0 HB ILE A 588 138.187 1.596 -7.819 1.00 0.40 H new ATOM 0 HG12 ILE A 588 137.982 -0.385 -9.266 1.00 0.46 H new ATOM 0 HG13 ILE A 588 138.799 -0.825 -7.779 1.00 0.46 H new ATOM 0 HG21 ILE A 588 138.320 0.394 -5.655 1.00 0.43 H new ATOM 0 HG22 ILE A 588 137.066 1.656 -5.610 1.00 0.43 H new ATOM 0 HG23 ILE A 588 136.603 -0.052 -5.797 1.00 0.43 H new ATOM 0 HD11 ILE A 588 137.067 -2.504 -8.356 1.00 0.83 H new ATOM 0 HD12 ILE A 588 136.652 -1.678 -6.835 1.00 0.83 H new ATOM 0 HD13 ILE A 588 135.822 -1.232 -8.345 1.00 0.83 H new ATOM 652 N GLN A 589 135.051 2.458 -6.263 1.00 0.53 N ATOM 653 CA GLN A 589 134.595 3.702 -5.575 1.00 0.57 C ATOM 654 C GLN A 589 134.321 3.445 -4.100 1.00 0.60 C ATOM 655 O GLN A 589 133.349 2.811 -3.747 1.00 0.74 O ATOM 656 CB GLN A 589 133.291 4.106 -6.272 1.00 0.75 C ATOM 657 CG GLN A 589 133.573 5.026 -7.463 1.00 0.64 C ATOM 658 CD GLN A 589 133.207 4.311 -8.770 1.00 0.59 C ATOM 659 OE1 GLN A 589 132.771 3.176 -8.758 1.00 1.29 O ATOM 660 NE2 GLN A 589 133.364 4.931 -9.908 1.00 0.71 N ATOM 0 H GLN A 589 134.895 1.590 -5.751 1.00 0.53 H new ATOM 0 HA GLN A 589 135.358 4.479 -5.631 1.00 0.57 H new ATOM 0 HB2 GLN A 589 132.764 3.215 -6.612 1.00 0.75 H new ATOM 0 HB3 GLN A 589 132.636 4.612 -5.563 1.00 0.75 H new ATOM 0 HG2 GLN A 589 132.997 5.946 -7.368 1.00 0.64 H new ATOM 0 HG3 GLN A 589 134.626 5.309 -7.475 1.00 0.64 H new ATOM 0 HE21 GLN A 589 133.729 5.883 -9.924 1.00 0.71 H new ATOM 0 HE22 GLN A 589 133.121 4.463 -10.781 1.00 0.71 H new ATOM 669 N GLU A 590 135.174 3.951 -3.246 1.00 0.50 N ATOM 670 CA GLU A 590 135.009 3.772 -1.766 1.00 0.56 C ATOM 671 C GLU A 590 136.356 4.006 -1.078 1.00 0.65 C ATOM 672 O GLU A 590 136.958 5.055 -1.197 1.00 1.54 O ATOM 673 CB GLU A 590 134.509 2.324 -1.543 1.00 0.62 C ATOM 674 CG GLU A 590 135.391 1.322 -2.303 1.00 1.49 C ATOM 675 CD GLU A 590 134.815 -0.085 -2.138 1.00 2.23 C ATOM 676 OE1 GLU A 590 133.977 -0.459 -2.942 1.00 2.72 O ATOM 677 OE2 GLU A 590 135.219 -0.764 -1.209 1.00 2.87 O ATOM 0 H GLU A 590 135.996 4.492 -3.515 1.00 0.50 H new ATOM 0 HA GLU A 590 134.296 4.481 -1.346 1.00 0.56 H new ATOM 0 HB2 GLU A 590 134.519 2.090 -0.478 1.00 0.62 H new ATOM 0 HB3 GLU A 590 133.476 2.235 -1.879 1.00 0.62 H new ATOM 0 HG2 GLU A 590 135.436 1.588 -3.359 1.00 1.49 H new ATOM 0 HG3 GLU A 590 136.412 1.357 -1.922 1.00 1.49 H new ATOM 684 N SER A 591 136.822 3.031 -0.373 1.00 0.59 N ATOM 685 CA SER A 591 138.125 3.133 0.336 1.00 0.47 C ATOM 686 C SER A 591 138.547 1.761 0.855 1.00 0.44 C ATOM 687 O SER A 591 137.792 1.066 1.505 1.00 0.53 O ATOM 688 CB SER A 591 137.900 4.094 1.492 1.00 0.57 C ATOM 689 OG SER A 591 136.506 4.269 1.715 1.00 0.78 O ATOM 0 H SER A 591 136.345 2.138 -0.251 1.00 0.59 H new ATOM 0 HA SER A 591 138.917 3.488 -0.324 1.00 0.47 H new ATOM 0 HB2 SER A 591 138.375 3.708 2.394 1.00 0.57 H new ATOM 0 HB3 SER A 591 138.365 5.055 1.273 1.00 0.57 H new ATOM 0 HG SER A 591 136.369 4.888 2.462 1.00 0.78 H new ATOM 695 N LEU A 592 139.754 1.371 0.562 1.00 0.36 N ATOM 696 CA LEU A 592 140.252 0.043 1.023 1.00 0.36 C ATOM 697 C LEU A 592 141.152 0.253 2.243 1.00 0.34 C ATOM 698 O LEU A 592 141.346 1.371 2.682 1.00 0.36 O ATOM 699 CB LEU A 592 141.044 -0.530 -0.161 1.00 0.38 C ATOM 700 CG LEU A 592 140.129 -0.905 -1.359 1.00 0.64 C ATOM 701 CD1 LEU A 592 140.045 -2.425 -1.485 1.00 1.71 C ATOM 702 CD2 LEU A 592 138.704 -0.352 -1.206 1.00 1.07 C ATOM 0 H LEU A 592 140.423 1.917 0.019 1.00 0.36 H new ATOM 0 HA LEU A 592 139.452 -0.637 1.317 1.00 0.36 H new ATOM 0 HB2 LEU A 592 141.784 0.201 -0.487 1.00 0.38 H new ATOM 0 HB3 LEU A 592 141.591 -1.414 0.165 1.00 0.38 H new ATOM 0 HG LEU A 592 140.574 -0.460 -2.249 1.00 0.64 H new ATOM 0 HD11 LEU A 592 139.403 -2.685 -2.326 1.00 1.71 H new ATOM 0 HD12 LEU A 592 141.042 -2.832 -1.651 1.00 1.71 H new ATOM 0 HD13 LEU A 592 139.630 -2.844 -0.568 1.00 1.71 H new ATOM 0 HD21 LEU A 592 138.106 -0.643 -2.070 1.00 1.07 H new ATOM 0 HD22 LEU A 592 138.252 -0.756 -0.300 1.00 1.07 H new ATOM 0 HD23 LEU A 592 138.741 0.735 -1.140 1.00 1.07 H new ATOM 714 N GLU A 593 141.700 -0.794 2.806 1.00 0.35 N ATOM 715 CA GLU A 593 142.562 -0.600 4.009 1.00 0.36 C ATOM 716 C GLU A 593 143.719 -1.600 4.044 1.00 0.31 C ATOM 717 O GLU A 593 143.566 -2.724 4.481 1.00 0.40 O ATOM 718 CB GLU A 593 141.629 -0.840 5.198 1.00 0.43 C ATOM 719 CG GLU A 593 140.917 0.462 5.571 1.00 0.76 C ATOM 720 CD GLU A 593 139.728 0.150 6.482 1.00 1.19 C ATOM 721 OE1 GLU A 593 139.129 -0.898 6.304 1.00 1.88 O ATOM 722 OE2 GLU A 593 139.436 0.964 7.343 1.00 1.80 O ATOM 0 H GLU A 593 141.591 -1.758 2.491 1.00 0.35 H new ATOM 0 HA GLU A 593 143.016 0.391 4.015 1.00 0.36 H new ATOM 0 HB2 GLU A 593 140.896 -1.607 4.947 1.00 0.43 H new ATOM 0 HB3 GLU A 593 142.199 -1.210 6.050 1.00 0.43 H new ATOM 0 HG2 GLU A 593 141.609 1.136 6.076 1.00 0.76 H new ATOM 0 HG3 GLU A 593 140.575 0.973 4.671 1.00 0.76 H new ATOM 729 N ILE A 594 144.882 -1.190 3.619 1.00 0.28 N ATOM 730 CA ILE A 594 146.057 -2.105 3.664 1.00 0.25 C ATOM 731 C ILE A 594 146.593 -2.133 5.099 1.00 0.27 C ATOM 732 O ILE A 594 147.091 -1.148 5.609 1.00 0.30 O ATOM 733 CB ILE A 594 147.057 -1.505 2.672 1.00 0.22 C ATOM 734 CG1 ILE A 594 146.526 -1.749 1.257 1.00 0.23 C ATOM 735 CG2 ILE A 594 148.423 -2.179 2.830 1.00 0.25 C ATOM 736 CD1 ILE A 594 147.426 -1.074 0.220 1.00 0.23 C ATOM 0 H ILE A 594 145.070 -0.261 3.242 1.00 0.28 H new ATOM 0 HA ILE A 594 145.833 -3.137 3.394 1.00 0.25 H new ATOM 0 HB ILE A 594 147.173 -0.437 2.858 1.00 0.22 H new ATOM 0 HG12 ILE A 594 146.476 -2.820 1.061 1.00 0.23 H new ATOM 0 HG13 ILE A 594 145.511 -1.362 1.172 1.00 0.23 H new ATOM 0 HG21 ILE A 594 149.127 -1.745 2.120 1.00 0.25 H new ATOM 0 HG22 ILE A 594 148.790 -2.025 3.845 1.00 0.25 H new ATOM 0 HG23 ILE A 594 148.326 -3.248 2.638 1.00 0.25 H new ATOM 0 HD11 ILE A 594 147.032 -1.259 -0.779 1.00 0.23 H new ATOM 0 HD12 ILE A 594 147.454 -0.000 0.406 1.00 0.23 H new ATOM 0 HD13 ILE A 594 148.434 -1.481 0.293 1.00 0.23 H new ATOM 748 N GLN A 595 146.439 -3.244 5.769 1.00 0.30 N ATOM 749 CA GLN A 595 146.876 -3.340 7.194 1.00 0.33 C ATOM 750 C GLN A 595 148.384 -3.131 7.372 1.00 0.31 C ATOM 751 O GLN A 595 149.192 -3.856 6.827 1.00 0.34 O ATOM 752 CB GLN A 595 146.478 -4.745 7.641 1.00 0.38 C ATOM 753 CG GLN A 595 144.981 -4.775 7.942 1.00 0.91 C ATOM 754 CD GLN A 595 144.756 -4.483 9.420 1.00 1.23 C ATOM 755 OE1 GLN A 595 144.506 -3.263 9.794 1.00 1.90 O flip ATOM 756 NE2 GLN A 595 144.806 -5.374 10.244 1.00 1.55 N flip ATOM 0 H GLN A 595 146.026 -4.095 5.388 1.00 0.30 H new ATOM 0 HA GLN A 595 146.407 -2.556 7.788 1.00 0.33 H new ATOM 0 HB2 GLN A 595 146.718 -5.468 6.862 1.00 0.38 H new ATOM 0 HB3 GLN A 595 147.044 -5.031 8.527 1.00 0.38 H new ATOM 0 HG2 GLN A 595 144.461 -4.037 7.331 1.00 0.91 H new ATOM 0 HG3 GLN A 595 144.567 -5.750 7.685 1.00 0.91 H new ATOM 0 HE21 GLN A 595 145.002 -6.331 9.949 1.00 1.55 H new ATOM 0 HE22 GLN A 595 144.652 -5.166 11.230 1.00 1.55 H new ATOM 765 N GLN A 596 148.744 -2.153 8.178 1.00 0.32 N ATOM 766 CA GLN A 596 150.181 -1.847 8.483 1.00 0.32 C ATOM 767 C GLN A 596 151.125 -2.348 7.391 1.00 0.30 C ATOM 768 O GLN A 596 152.114 -2.999 7.668 1.00 0.36 O ATOM 769 CB GLN A 596 150.464 -2.568 9.798 1.00 0.39 C ATOM 770 CG GLN A 596 151.286 -1.649 10.705 1.00 0.44 C ATOM 771 CD GLN A 596 150.487 -1.322 11.968 1.00 0.50 C ATOM 772 OE1 GLN A 596 150.674 -1.940 12.997 1.00 0.65 O ATOM 773 NE2 GLN A 596 149.598 -0.367 11.932 1.00 0.58 N ATOM 0 H GLN A 596 148.080 -1.538 8.649 1.00 0.32 H new ATOM 0 HA GLN A 596 150.346 -0.771 8.543 1.00 0.32 H new ATOM 0 HB2 GLN A 596 149.528 -2.840 10.287 1.00 0.39 H new ATOM 0 HB3 GLN A 596 151.007 -3.494 9.610 1.00 0.39 H new ATOM 0 HG2 GLN A 596 152.226 -2.132 10.972 1.00 0.44 H new ATOM 0 HG3 GLN A 596 151.539 -0.731 10.175 1.00 0.44 H new ATOM 0 HE21 GLN A 596 149.441 0.152 11.068 1.00 0.58 H new ATOM 0 HE22 GLN A 596 149.060 -0.139 12.768 1.00 0.58 H new ATOM 782 N GLY A 597 150.823 -2.071 6.155 1.00 0.31 N ATOM 783 CA GLY A 597 151.702 -2.559 5.061 1.00 0.32 C ATOM 784 C GLY A 597 151.719 -4.081 5.122 1.00 0.38 C ATOM 785 O GLY A 597 152.719 -4.690 5.445 1.00 0.78 O ATOM 0 H GLY A 597 150.011 -1.531 5.857 1.00 0.31 H new ATOM 0 HA2 GLY A 597 151.332 -2.219 4.093 1.00 0.32 H new ATOM 0 HA3 GLY A 597 152.710 -2.161 5.174 1.00 0.32 H new ATOM 789 N VAL A 598 150.596 -4.688 4.839 1.00 0.30 N ATOM 790 CA VAL A 598 150.481 -6.181 4.891 1.00 0.29 C ATOM 791 C VAL A 598 151.775 -6.852 4.441 1.00 0.26 C ATOM 792 O VAL A 598 152.165 -7.876 4.967 1.00 0.29 O ATOM 793 CB VAL A 598 149.347 -6.519 3.929 1.00 0.35 C ATOM 794 CG1 VAL A 598 149.085 -8.026 3.951 1.00 0.95 C ATOM 795 CG2 VAL A 598 148.087 -5.775 4.362 1.00 0.95 C ATOM 0 H VAL A 598 149.738 -4.206 4.569 1.00 0.30 H new ATOM 0 HA VAL A 598 150.290 -6.534 5.904 1.00 0.29 H new ATOM 0 HB VAL A 598 149.623 -6.219 2.918 1.00 0.35 H new ATOM 0 HG11 VAL A 598 148.274 -8.264 3.263 1.00 0.95 H new ATOM 0 HG12 VAL A 598 149.987 -8.557 3.647 1.00 0.95 H new ATOM 0 HG13 VAL A 598 148.807 -8.332 4.959 1.00 0.95 H new ATOM 0 HG21 VAL A 598 147.272 -6.012 3.679 1.00 0.95 H new ATOM 0 HG22 VAL A 598 147.814 -6.080 5.372 1.00 0.95 H new ATOM 0 HG23 VAL A 598 148.274 -4.701 4.345 1.00 0.95 H new ATOM 805 N ASN A 599 152.452 -6.274 3.485 1.00 0.22 N ATOM 806 CA ASN A 599 153.732 -6.870 3.014 1.00 0.23 C ATOM 807 C ASN A 599 153.595 -8.386 2.790 1.00 0.26 C ATOM 808 O ASN A 599 153.868 -9.157 3.688 1.00 0.30 O ATOM 809 CB ASN A 599 154.713 -6.598 4.149 1.00 0.26 C ATOM 810 CG ASN A 599 156.026 -7.312 3.902 1.00 0.46 C ATOM 811 OD1 ASN A 599 156.405 -7.529 2.690 1.00 0.79 O flip ATOM 812 ND2 ASN A 599 156.718 -7.678 4.831 1.00 0.42 N flip ATOM 0 H ASN A 599 152.173 -5.415 3.011 1.00 0.22 H new ATOM 0 HA ASN A 599 154.050 -6.447 2.061 1.00 0.23 H new ATOM 0 HB2 ASN A 599 154.887 -5.526 4.237 1.00 0.26 H new ATOM 0 HB3 ASN A 599 154.285 -6.930 5.095 1.00 0.26 H new ATOM 0 HD21 ASN A 599 156.417 -7.506 5.790 1.00 0.42 H new ATOM 0 HD22 ASN A 599 157.600 -8.158 4.652 1.00 0.42 H new ATOM 819 N PRO A 600 153.209 -8.781 1.601 1.00 0.26 N ATOM 820 CA PRO A 600 152.873 -7.851 0.501 1.00 0.24 C ATOM 821 C PRO A 600 151.357 -7.669 0.397 1.00 0.22 C ATOM 822 O PRO A 600 150.590 -8.435 0.947 1.00 0.25 O ATOM 823 CB PRO A 600 153.365 -8.611 -0.722 1.00 0.27 C ATOM 824 CG PRO A 600 153.327 -10.065 -0.336 1.00 0.31 C ATOM 825 CD PRO A 600 153.075 -10.157 1.151 1.00 0.30 C ATOM 0 HA PRO A 600 153.306 -6.859 0.627 1.00 0.24 H new ATOM 0 HB2 PRO A 600 152.729 -8.418 -1.586 1.00 0.27 H new ATOM 0 HB3 PRO A 600 154.375 -8.304 -0.995 1.00 0.27 H new ATOM 0 HG2 PRO A 600 152.542 -10.583 -0.887 1.00 0.31 H new ATOM 0 HG3 PRO A 600 154.269 -10.550 -0.592 1.00 0.31 H new ATOM 0 HD2 PRO A 600 152.084 -10.556 1.367 1.00 0.30 H new ATOM 0 HD3 PRO A 600 153.795 -10.812 1.641 1.00 0.30 H new ATOM 833 N PHE A 601 150.924 -6.686 -0.338 1.00 0.19 N ATOM 834 CA PHE A 601 149.453 -6.477 -0.523 1.00 0.19 C ATOM 835 C PHE A 601 149.115 -6.518 -2.012 1.00 0.21 C ATOM 836 O PHE A 601 148.989 -5.494 -2.655 1.00 0.31 O ATOM 837 CB PHE A 601 149.137 -5.094 0.044 1.00 0.20 C ATOM 838 CG PHE A 601 147.635 -4.944 0.207 1.00 0.25 C ATOM 839 CD1 PHE A 601 147.007 -5.442 1.356 1.00 0.37 C ATOM 840 CD2 PHE A 601 146.869 -4.297 -0.778 1.00 0.37 C ATOM 841 CE1 PHE A 601 145.629 -5.297 1.524 1.00 0.52 C ATOM 842 CE2 PHE A 601 145.487 -4.149 -0.603 1.00 0.52 C ATOM 843 CZ PHE A 601 144.870 -4.649 0.550 1.00 0.59 C ATOM 0 H PHE A 601 151.521 -6.015 -0.821 1.00 0.19 H new ATOM 0 HA PHE A 601 148.873 -7.251 -0.020 1.00 0.19 H new ATOM 0 HB2 PHE A 601 149.633 -4.962 1.006 1.00 0.20 H new ATOM 0 HB3 PHE A 601 149.520 -4.320 -0.621 1.00 0.20 H new ATOM 0 HD1 PHE A 601 147.592 -5.940 2.115 1.00 0.37 H new ATOM 0 HD2 PHE A 601 147.345 -3.914 -1.669 1.00 0.37 H new ATOM 0 HE1 PHE A 601 145.150 -5.687 2.410 1.00 0.52 H new ATOM 0 HE2 PHE A 601 144.898 -3.649 -1.357 1.00 0.52 H new ATOM 0 HZ PHE A 601 143.805 -4.533 0.685 1.00 0.59 H new ATOM 853 N PHE A 602 148.964 -7.689 -2.569 1.00 0.22 N ATOM 854 CA PHE A 602 148.630 -7.770 -4.022 1.00 0.26 C ATOM 855 C PHE A 602 147.266 -7.138 -4.264 1.00 0.28 C ATOM 856 O PHE A 602 146.540 -6.822 -3.342 1.00 0.37 O ATOM 857 CB PHE A 602 148.537 -9.258 -4.391 1.00 0.32 C ATOM 858 CG PHE A 602 149.654 -10.082 -3.795 1.00 0.27 C ATOM 859 CD1 PHE A 602 149.500 -10.661 -2.528 1.00 0.64 C ATOM 860 CD2 PHE A 602 150.823 -10.305 -4.527 1.00 0.60 C ATOM 861 CE1 PHE A 602 150.517 -11.459 -1.995 1.00 0.68 C ATOM 862 CE2 PHE A 602 151.840 -11.100 -3.992 1.00 0.65 C ATOM 863 CZ PHE A 602 151.688 -11.679 -2.728 1.00 0.42 C ATOM 0 H PHE A 602 149.056 -8.584 -2.089 1.00 0.22 H new ATOM 0 HA PHE A 602 149.386 -7.255 -4.614 1.00 0.26 H new ATOM 0 HB2 PHE A 602 147.580 -9.653 -4.050 1.00 0.32 H new ATOM 0 HB3 PHE A 602 148.556 -9.360 -5.476 1.00 0.32 H new ATOM 0 HD1 PHE A 602 148.595 -10.491 -1.963 1.00 0.64 H new ATOM 0 HD2 PHE A 602 150.940 -9.863 -5.506 1.00 0.60 H new ATOM 0 HE1 PHE A 602 150.399 -11.905 -1.019 1.00 0.68 H new ATOM 0 HE2 PHE A 602 152.746 -11.268 -4.556 1.00 0.65 H new ATOM 0 HZ PHE A 602 152.474 -12.296 -2.318 1.00 0.42 H new ATOM 873 N ILE A 603 146.905 -6.977 -5.504 1.00 0.25 N ATOM 874 CA ILE A 603 145.580 -6.394 -5.840 1.00 0.28 C ATOM 875 C ILE A 603 145.327 -6.656 -7.319 1.00 0.32 C ATOM 876 O ILE A 603 146.177 -6.402 -8.146 1.00 0.44 O ATOM 877 CB ILE A 603 145.671 -4.869 -5.586 1.00 0.31 C ATOM 878 CG1 ILE A 603 147.102 -4.445 -5.218 1.00 0.64 C ATOM 879 CG2 ILE A 603 144.736 -4.474 -4.452 1.00 0.64 C ATOM 880 CD1 ILE A 603 147.210 -2.920 -5.261 1.00 0.79 C ATOM 0 H ILE A 603 147.479 -7.228 -6.309 1.00 0.25 H new ATOM 0 HA ILE A 603 144.776 -6.825 -5.244 1.00 0.28 H new ATOM 0 HB ILE A 603 145.381 -4.364 -6.508 1.00 0.31 H new ATOM 0 HG12 ILE A 603 147.356 -4.810 -4.223 1.00 0.64 H new ATOM 0 HG13 ILE A 603 147.814 -4.890 -5.912 1.00 0.64 H new ATOM 0 HG21 ILE A 603 144.806 -3.400 -4.280 1.00 0.64 H new ATOM 0 HG22 ILE A 603 143.711 -4.733 -4.719 1.00 0.64 H new ATOM 0 HG23 ILE A 603 145.020 -5.006 -3.544 1.00 0.64 H new ATOM 0 HD11 ILE A 603 148.225 -2.620 -5.000 1.00 0.79 H new ATOM 0 HD12 ILE A 603 146.974 -2.567 -6.265 1.00 0.79 H new ATOM 0 HD13 ILE A 603 146.508 -2.485 -4.549 1.00 0.79 H new ATOM 892 N GLY A 604 144.192 -7.173 -7.674 1.00 0.28 N ATOM 893 CA GLY A 604 143.961 -7.433 -9.119 1.00 0.33 C ATOM 894 C GLY A 604 142.601 -8.074 -9.353 1.00 0.35 C ATOM 895 O GLY A 604 141.664 -7.885 -8.602 1.00 0.44 O ATOM 0 H GLY A 604 143.428 -7.423 -7.046 1.00 0.28 H new ATOM 0 HA2 GLY A 604 144.025 -6.497 -9.674 1.00 0.33 H new ATOM 0 HA3 GLY A 604 144.745 -8.086 -9.503 1.00 0.33 H new ATOM 899 N ARG A 605 142.497 -8.824 -10.412 1.00 0.37 N ATOM 900 CA ARG A 605 141.199 -9.489 -10.743 1.00 0.45 C ATOM 901 C ARG A 605 141.075 -10.822 -9.999 1.00 0.52 C ATOM 902 O ARG A 605 140.029 -11.443 -10.004 1.00 0.62 O ATOM 903 CB ARG A 605 141.258 -9.730 -12.265 1.00 0.48 C ATOM 904 CG ARG A 605 140.016 -9.202 -13.036 1.00 0.79 C ATOM 905 CD ARG A 605 138.907 -8.666 -12.117 1.00 0.63 C ATOM 906 NE ARG A 605 138.325 -9.873 -11.470 1.00 1.10 N ATOM 907 CZ ARG A 605 137.484 -10.619 -12.131 1.00 1.54 C ATOM 908 NH1 ARG A 605 136.417 -10.087 -12.662 1.00 1.97 N ATOM 909 NH2 ARG A 605 137.713 -11.896 -12.268 1.00 2.05 N ATOM 0 H ARG A 605 143.256 -9.009 -11.068 1.00 0.37 H new ATOM 0 HA ARG A 605 140.341 -8.884 -10.452 1.00 0.45 H new ATOM 0 HB2 ARG A 605 142.152 -9.251 -12.664 1.00 0.48 H new ATOM 0 HB3 ARG A 605 141.360 -10.799 -12.450 1.00 0.48 H new ATOM 0 HG2 ARG A 605 140.330 -8.409 -13.715 1.00 0.79 H new ATOM 0 HG3 ARG A 605 139.611 -10.006 -13.651 1.00 0.79 H new ATOM 0 HD2 ARG A 605 139.309 -7.976 -11.375 1.00 0.63 H new ATOM 0 HD3 ARG A 605 138.153 -8.121 -12.685 1.00 0.63 H new ATOM 0 HE ARG A 605 138.583 -10.116 -10.513 1.00 1.10 H new ATOM 0 HH11 ARG A 605 136.241 -9.088 -12.560 1.00 1.97 H new ATOM 0 HH12 ARG A 605 135.759 -10.671 -13.179 1.00 1.97 H new ATOM 0 HH21 ARG A 605 138.550 -12.311 -11.858 1.00 2.05 H new ATOM 0 HH22 ARG A 605 137.055 -12.480 -12.785 1.00 2.05 H new ATOM 923 N SER A 606 142.122 -11.270 -9.356 1.00 0.54 N ATOM 924 CA SER A 606 142.033 -12.560 -8.617 1.00 0.68 C ATOM 925 C SER A 606 141.993 -12.298 -7.112 1.00 0.63 C ATOM 926 O SER A 606 142.911 -11.735 -6.551 1.00 0.97 O ATOM 927 CB SER A 606 143.297 -13.328 -9.008 1.00 0.74 C ATOM 928 OG SER A 606 144.292 -13.162 -8.004 1.00 1.13 O ATOM 0 H SER A 606 143.027 -10.801 -9.312 1.00 0.54 H new ATOM 0 HA SER A 606 141.131 -13.122 -8.861 1.00 0.68 H new ATOM 0 HB2 SER A 606 143.067 -14.386 -9.133 1.00 0.74 H new ATOM 0 HB3 SER A 606 143.671 -12.968 -9.966 1.00 0.74 H new ATOM 0 HG SER A 606 144.238 -12.255 -7.636 1.00 1.13 H new ATOM 934 N GLU A 607 140.943 -12.709 -6.449 1.00 0.57 N ATOM 935 CA GLU A 607 140.856 -12.485 -4.975 1.00 0.48 C ATOM 936 C GLU A 607 142.118 -13.019 -4.286 1.00 0.36 C ATOM 937 O GLU A 607 142.430 -12.639 -3.174 1.00 0.36 O ATOM 938 CB GLU A 607 139.612 -13.263 -4.529 1.00 0.64 C ATOM 939 CG GLU A 607 139.564 -13.352 -3.000 1.00 1.08 C ATOM 940 CD GLU A 607 138.348 -14.176 -2.572 1.00 1.76 C ATOM 941 OE1 GLU A 607 137.973 -15.071 -3.313 1.00 2.42 O ATOM 942 OE2 GLU A 607 137.812 -13.900 -1.512 1.00 2.29 O ATOM 0 H GLU A 607 140.144 -13.189 -6.863 1.00 0.57 H new ATOM 0 HA GLU A 607 140.783 -11.429 -4.716 1.00 0.48 H new ATOM 0 HB2 GLU A 607 138.713 -12.770 -4.900 1.00 0.64 H new ATOM 0 HB3 GLU A 607 139.627 -14.265 -4.959 1.00 0.64 H new ATOM 0 HG2 GLU A 607 140.478 -13.811 -2.623 1.00 1.08 H new ATOM 0 HG3 GLU A 607 139.509 -12.352 -2.569 1.00 1.08 H new ATOM 949 N ASP A 608 142.855 -13.882 -4.942 1.00 0.36 N ATOM 950 CA ASP A 608 144.104 -14.416 -4.325 1.00 0.31 C ATOM 951 C ASP A 608 144.975 -13.254 -3.844 1.00 0.26 C ATOM 952 O ASP A 608 145.796 -13.408 -2.961 1.00 0.27 O ATOM 953 CB ASP A 608 144.808 -15.189 -5.442 1.00 0.42 C ATOM 954 CG ASP A 608 143.935 -16.368 -5.882 1.00 1.28 C ATOM 955 OD1 ASP A 608 143.119 -16.807 -5.088 1.00 1.92 O ATOM 956 OD2 ASP A 608 144.100 -16.813 -7.006 1.00 2.10 O ATOM 0 H ASP A 608 142.645 -14.237 -5.875 1.00 0.36 H new ATOM 0 HA ASP A 608 143.904 -15.052 -3.463 1.00 0.31 H new ATOM 0 HB2 ASP A 608 145.000 -14.530 -6.289 1.00 0.42 H new ATOM 0 HB3 ASP A 608 145.776 -15.550 -5.094 1.00 0.42 H new ATOM 961 N CYS A 609 144.792 -12.084 -4.407 1.00 0.25 N ATOM 962 CA CYS A 609 145.597 -10.923 -3.964 1.00 0.22 C ATOM 963 C CYS A 609 145.146 -10.490 -2.573 1.00 0.20 C ATOM 964 O CYS A 609 144.074 -10.839 -2.119 1.00 0.21 O ATOM 965 CB CYS A 609 145.347 -9.826 -5.007 1.00 0.24 C ATOM 966 SG CYS A 609 143.591 -9.399 -5.067 1.00 1.38 S ATOM 0 H CYS A 609 144.121 -11.892 -5.151 1.00 0.25 H new ATOM 0 HA CYS A 609 146.661 -11.151 -3.893 1.00 0.22 H new ATOM 0 HB2 CYS A 609 145.934 -8.941 -4.761 1.00 0.24 H new ATOM 0 HB3 CYS A 609 145.678 -10.166 -5.988 1.00 0.24 H new ATOM 0 HG CYS A 609 142.960 -10.261 -5.808 1.00 1.38 H new ATOM 972 N ASN A 610 145.956 -9.730 -1.897 1.00 0.20 N ATOM 973 CA ASN A 610 145.581 -9.266 -0.531 1.00 0.21 C ATOM 974 C ASN A 610 144.316 -8.412 -0.589 1.00 0.22 C ATOM 975 O ASN A 610 143.757 -8.046 0.426 1.00 0.26 O ATOM 976 CB ASN A 610 146.760 -8.443 -0.049 1.00 0.24 C ATOM 977 CG ASN A 610 147.192 -8.944 1.315 1.00 0.31 C ATOM 978 OD1 ASN A 610 146.534 -8.696 2.305 1.00 1.26 O ATOM 979 ND2 ASN A 610 148.274 -9.641 1.412 1.00 0.95 N ATOM 0 H ASN A 610 146.865 -9.408 -2.230 1.00 0.20 H new ATOM 0 HA ASN A 610 145.369 -10.099 0.140 1.00 0.21 H new ATOM 0 HB2 ASN A 610 147.586 -8.520 -0.756 1.00 0.24 H new ATOM 0 HB3 ASN A 610 146.485 -7.390 0.007 1.00 0.24 H new ATOM 0 HD21 ASN A 610 148.579 -9.985 2.322 1.00 0.95 H new ATOM 0 HD22 ASN A 610 148.824 -9.847 0.578 1.00 0.95 H new ATOM 986 N CYS A 611 143.876 -8.069 -1.770 1.00 0.21 N ATOM 987 CA CYS A 611 142.663 -7.212 -1.887 1.00 0.27 C ATOM 988 C CYS A 611 141.777 -7.660 -3.053 1.00 0.25 C ATOM 989 O CYS A 611 141.572 -8.834 -3.282 1.00 0.36 O ATOM 990 CB CYS A 611 143.231 -5.822 -2.151 1.00 0.36 C ATOM 991 SG CYS A 611 142.264 -4.591 -1.249 1.00 0.62 S ATOM 0 H CYS A 611 144.303 -8.344 -2.655 1.00 0.21 H new ATOM 0 HA CYS A 611 142.032 -7.258 -0.999 1.00 0.27 H new ATOM 0 HB2 CYS A 611 144.275 -5.779 -1.839 1.00 0.36 H new ATOM 0 HB3 CYS A 611 143.208 -5.606 -3.219 1.00 0.36 H new ATOM 0 HG CYS A 611 143.065 -3.816 -0.579 1.00 0.62 H new ATOM 997 N LYS A 612 141.247 -6.716 -3.781 1.00 0.24 N ATOM 998 CA LYS A 612 140.369 -7.045 -4.945 1.00 0.30 C ATOM 999 C LYS A 612 139.953 -5.757 -5.665 1.00 0.30 C ATOM 1000 O LYS A 612 139.299 -4.903 -5.100 1.00 0.40 O ATOM 1001 CB LYS A 612 139.147 -7.757 -4.357 1.00 0.41 C ATOM 1002 CG LYS A 612 139.083 -9.182 -4.910 1.00 0.70 C ATOM 1003 CD LYS A 612 137.842 -9.895 -4.370 1.00 0.80 C ATOM 1004 CE LYS A 612 136.593 -9.340 -5.058 1.00 1.67 C ATOM 1005 NZ LYS A 612 135.491 -9.545 -4.077 1.00 2.33 N ATOM 0 H LYS A 612 141.385 -5.719 -3.619 1.00 0.24 H new ATOM 0 HA LYS A 612 140.877 -7.673 -5.676 1.00 0.30 H new ATOM 0 HB2 LYS A 612 139.212 -7.779 -3.269 1.00 0.41 H new ATOM 0 HB3 LYS A 612 138.237 -7.214 -4.611 1.00 0.41 H new ATOM 0 HG2 LYS A 612 139.054 -9.158 -5.999 1.00 0.70 H new ATOM 0 HG3 LYS A 612 139.981 -9.732 -4.627 1.00 0.70 H new ATOM 0 HD2 LYS A 612 137.921 -10.968 -4.546 1.00 0.80 H new ATOM 0 HD3 LYS A 612 137.769 -9.754 -3.292 1.00 0.80 H new ATOM 0 HE2 LYS A 612 136.713 -8.285 -5.302 1.00 1.67 H new ATOM 0 HE3 LYS A 612 136.392 -9.863 -5.993 1.00 1.67 H new ATOM 0 HZ1 LYS A 612 134.600 -9.189 -4.477 1.00 2.33 H new ATOM 0 HZ2 LYS A 612 135.396 -10.559 -3.869 1.00 2.33 H new ATOM 0 HZ3 LYS A 612 135.707 -9.030 -3.200 1.00 2.33 H new ATOM 1019 N ILE A 613 140.337 -5.611 -6.906 1.00 0.41 N ATOM 1020 CA ILE A 613 139.975 -4.375 -7.668 1.00 0.50 C ATOM 1021 C ILE A 613 138.997 -4.717 -8.789 1.00 0.50 C ATOM 1022 O ILE A 613 138.834 -3.980 -9.740 1.00 0.67 O ATOM 1023 CB ILE A 613 141.300 -3.845 -8.223 1.00 0.57 C ATOM 1024 CG1 ILE A 613 142.362 -3.836 -7.107 1.00 1.08 C ATOM 1025 CG2 ILE A 613 141.107 -2.431 -8.780 1.00 0.56 C ATOM 1026 CD1 ILE A 613 142.107 -2.695 -6.105 1.00 0.40 C ATOM 0 H ILE A 613 140.887 -6.294 -7.427 1.00 0.41 H new ATOM 0 HA ILE A 613 139.481 -3.629 -7.045 1.00 0.50 H new ATOM 0 HB ILE A 613 141.637 -4.495 -9.030 1.00 0.57 H new ATOM 0 HG12 ILE A 613 142.352 -4.792 -6.584 1.00 1.08 H new ATOM 0 HG13 ILE A 613 143.353 -3.723 -7.546 1.00 1.08 H new ATOM 0 HG21 ILE A 613 142.055 -2.062 -9.173 1.00 0.56 H new ATOM 0 HG22 ILE A 613 140.367 -2.453 -9.580 1.00 0.56 H new ATOM 0 HG23 ILE A 613 140.762 -1.771 -7.984 1.00 0.56 H new ATOM 0 HD11 ILE A 613 142.872 -2.714 -5.329 1.00 0.40 H new ATOM 0 HD12 ILE A 613 142.143 -1.738 -6.626 1.00 0.40 H new ATOM 0 HD13 ILE A 613 141.125 -2.824 -5.649 1.00 0.40 H new ATOM 1038 N GLU A 614 138.342 -5.835 -8.647 1.00 0.79 N ATOM 1039 CA GLU A 614 137.326 -6.313 -9.651 1.00 0.83 C ATOM 1040 C GLU A 614 137.334 -5.486 -10.947 1.00 0.63 C ATOM 1041 O GLU A 614 136.417 -4.740 -11.231 1.00 0.69 O ATOM 1042 CB GLU A 614 135.979 -6.173 -8.934 1.00 1.08 C ATOM 1043 CG GLU A 614 135.309 -7.545 -8.827 1.00 1.57 C ATOM 1044 CD GLU A 614 133.847 -7.367 -8.413 1.00 1.96 C ATOM 1045 OE1 GLU A 614 133.245 -6.396 -8.840 1.00 2.55 O ATOM 1046 OE2 GLU A 614 133.355 -8.206 -7.677 1.00 2.29 O ATOM 0 H GLU A 614 138.467 -6.463 -7.853 1.00 0.79 H new ATOM 0 HA GLU A 614 137.541 -7.334 -9.965 1.00 0.83 H new ATOM 0 HB2 GLU A 614 136.127 -5.751 -7.940 1.00 1.08 H new ATOM 0 HB3 GLU A 614 135.335 -5.484 -9.480 1.00 1.08 H new ATOM 0 HG2 GLU A 614 135.367 -8.065 -9.783 1.00 1.57 H new ATOM 0 HG3 GLU A 614 135.833 -8.161 -8.096 1.00 1.57 H new ATOM 1053 N ASP A 615 138.357 -5.635 -11.737 1.00 0.51 N ATOM 1054 CA ASP A 615 138.444 -4.895 -13.022 1.00 0.42 C ATOM 1055 C ASP A 615 138.959 -5.841 -14.113 1.00 0.48 C ATOM 1056 O ASP A 615 140.107 -6.229 -14.131 1.00 1.01 O ATOM 1057 CB ASP A 615 139.432 -3.758 -12.761 1.00 0.41 C ATOM 1058 CG ASP A 615 138.665 -2.453 -12.558 1.00 1.11 C ATOM 1059 OD1 ASP A 615 138.424 -1.770 -13.539 1.00 1.65 O ATOM 1060 OD2 ASP A 615 138.336 -2.157 -11.421 1.00 1.89 O ATOM 0 H ASP A 615 139.149 -6.248 -11.543 1.00 0.51 H new ATOM 0 HA ASP A 615 137.482 -4.508 -13.360 1.00 0.42 H new ATOM 0 HB2 ASP A 615 140.033 -3.980 -11.879 1.00 0.41 H new ATOM 0 HB3 ASP A 615 140.121 -3.661 -13.600 1.00 0.41 H new ATOM 1065 N ASN A 616 138.089 -6.230 -14.999 1.00 0.44 N ATOM 1066 CA ASN A 616 138.457 -7.179 -16.106 1.00 0.40 C ATOM 1067 C ASN A 616 139.867 -6.916 -16.661 1.00 0.39 C ATOM 1068 O ASN A 616 140.660 -7.827 -16.799 1.00 0.45 O ATOM 1069 CB ASN A 616 137.407 -6.935 -17.195 1.00 0.54 C ATOM 1070 CG ASN A 616 136.629 -8.227 -17.455 1.00 1.05 C ATOM 1071 OD1 ASN A 616 137.161 -9.310 -17.313 1.00 1.80 O ATOM 1072 ND2 ASN A 616 135.382 -8.157 -17.835 1.00 1.68 N ATOM 0 H ASN A 616 137.115 -5.928 -15.010 1.00 0.44 H new ATOM 0 HA ASN A 616 138.471 -8.208 -15.747 1.00 0.40 H new ATOM 0 HB2 ASN A 616 136.725 -6.143 -16.886 1.00 0.54 H new ATOM 0 HB3 ASN A 616 137.891 -6.599 -18.112 1.00 0.54 H new ATOM 0 HD21 ASN A 616 134.854 -9.012 -18.013 1.00 1.68 H new ATOM 0 HD22 ASN A 616 134.935 -7.248 -17.954 1.00 1.68 H new ATOM 1079 N ARG A 617 140.186 -5.687 -16.988 1.00 0.41 N ATOM 1080 CA ARG A 617 141.549 -5.387 -17.540 1.00 0.43 C ATOM 1081 C ARG A 617 142.638 -5.988 -16.645 1.00 0.39 C ATOM 1082 O ARG A 617 143.748 -6.226 -17.080 1.00 0.46 O ATOM 1083 CB ARG A 617 141.650 -3.860 -17.559 1.00 0.50 C ATOM 1084 CG ARG A 617 140.710 -3.293 -18.629 1.00 0.87 C ATOM 1085 CD ARG A 617 141.075 -3.874 -19.999 1.00 0.68 C ATOM 1086 NE ARG A 617 140.110 -4.989 -20.211 1.00 0.67 N ATOM 1087 CZ ARG A 617 139.524 -5.134 -21.368 1.00 0.89 C ATOM 1088 NH1 ARG A 617 138.630 -4.269 -21.760 1.00 1.05 N ATOM 1089 NH2 ARG A 617 139.832 -6.146 -22.132 1.00 1.29 N ATOM 0 H ARG A 617 139.567 -4.881 -16.898 1.00 0.41 H new ATOM 0 HA ARG A 617 141.688 -5.816 -18.533 1.00 0.43 H new ATOM 0 HB2 ARG A 617 141.389 -3.456 -16.581 1.00 0.50 H new ATOM 0 HB3 ARG A 617 142.676 -3.556 -17.765 1.00 0.50 H new ATOM 0 HG2 ARG A 617 139.676 -3.536 -18.384 1.00 0.87 H new ATOM 0 HG3 ARG A 617 140.785 -2.206 -18.653 1.00 0.87 H new ATOM 0 HD2 ARG A 617 140.988 -3.122 -20.783 1.00 0.68 H new ATOM 0 HD3 ARG A 617 142.104 -4.233 -20.014 1.00 0.68 H new ATOM 0 HE ARG A 617 139.907 -5.639 -19.452 1.00 0.67 H new ATOM 0 HH11 ARG A 617 138.389 -3.479 -21.162 1.00 1.05 H new ATOM 0 HH12 ARG A 617 138.172 -4.383 -22.664 1.00 1.05 H new ATOM 0 HH21 ARG A 617 140.530 -6.823 -21.825 1.00 1.29 H new ATOM 0 HH22 ARG A 617 139.374 -6.260 -23.036 1.00 1.29 H new ATOM 1103 N LEU A 618 142.327 -6.245 -15.404 1.00 0.38 N ATOM 1104 CA LEU A 618 143.340 -6.842 -14.490 1.00 0.35 C ATOM 1105 C LEU A 618 143.602 -8.294 -14.881 1.00 0.40 C ATOM 1106 O LEU A 618 142.688 -9.060 -15.117 1.00 0.52 O ATOM 1107 CB LEU A 618 142.721 -6.761 -13.088 1.00 0.38 C ATOM 1108 CG LEU A 618 142.325 -5.317 -12.748 1.00 0.52 C ATOM 1109 CD1 LEU A 618 141.852 -5.260 -11.297 1.00 1.36 C ATOM 1110 CD2 LEU A 618 143.521 -4.378 -12.909 1.00 1.19 C ATOM 0 H LEU A 618 141.415 -6.067 -14.984 1.00 0.38 H new ATOM 0 HA LEU A 618 144.296 -6.320 -14.536 1.00 0.35 H new ATOM 0 HB2 LEU A 618 141.843 -7.405 -13.036 1.00 0.38 H new ATOM 0 HB3 LEU A 618 143.433 -7.131 -12.350 1.00 0.38 H new ATOM 0 HG LEU A 618 141.531 -5.003 -13.426 1.00 0.52 H new ATOM 0 HD11 LEU A 618 141.569 -4.238 -11.047 1.00 1.36 H new ATOM 0 HD12 LEU A 618 140.992 -5.917 -11.169 1.00 1.36 H new ATOM 0 HD13 LEU A 618 142.658 -5.585 -10.639 1.00 1.36 H new ATOM 0 HD21 LEU A 618 143.220 -3.360 -12.663 1.00 1.19 H new ATOM 0 HD22 LEU A 618 144.322 -4.691 -12.239 1.00 1.19 H new ATOM 0 HD23 LEU A 618 143.875 -4.413 -13.939 1.00 1.19 H new ATOM 1122 N SER A 619 144.848 -8.674 -14.954 1.00 0.46 N ATOM 1123 CA SER A 619 145.181 -10.070 -15.332 1.00 0.51 C ATOM 1124 C SER A 619 145.328 -10.933 -14.083 1.00 0.57 C ATOM 1125 O SER A 619 146.194 -11.781 -14.009 1.00 0.81 O ATOM 1126 CB SER A 619 146.509 -9.974 -16.081 1.00 0.62 C ATOM 1127 OG SER A 619 146.268 -10.089 -17.477 1.00 1.28 O ATOM 0 H SER A 619 145.651 -8.073 -14.767 1.00 0.46 H new ATOM 0 HA SER A 619 144.404 -10.529 -15.943 1.00 0.51 H new ATOM 0 HB2 SER A 619 146.996 -9.024 -15.861 1.00 0.62 H new ATOM 0 HB3 SER A 619 147.185 -10.763 -15.750 1.00 0.62 H new ATOM 0 HG SER A 619 146.617 -10.946 -17.800 1.00 1.28 H new ATOM 1133 N ARG A 620 144.503 -10.704 -13.090 1.00 0.50 N ATOM 1134 CA ARG A 620 144.601 -11.495 -11.823 1.00 0.58 C ATOM 1135 C ARG A 620 145.914 -11.145 -11.150 1.00 0.74 C ATOM 1136 O ARG A 620 146.973 -11.329 -11.716 1.00 1.64 O ATOM 1137 CB ARG A 620 144.577 -12.977 -12.224 1.00 0.65 C ATOM 1138 CG ARG A 620 143.221 -13.325 -12.836 1.00 1.39 C ATOM 1139 CD ARG A 620 142.974 -14.830 -12.700 1.00 1.90 C ATOM 1140 NE ARG A 620 144.102 -15.475 -13.432 1.00 2.53 N ATOM 1141 CZ ARG A 620 144.138 -16.772 -13.565 1.00 3.20 C ATOM 1142 NH1 ARG A 620 143.473 -17.347 -14.530 1.00 3.67 N ATOM 1143 NH2 ARG A 620 144.839 -17.494 -12.733 1.00 3.78 N ATOM 0 H ARG A 620 143.764 -10.001 -13.103 1.00 0.50 H new ATOM 0 HA ARG A 620 143.785 -11.281 -11.133 1.00 0.58 H new ATOM 0 HB2 ARG A 620 145.373 -13.183 -12.940 1.00 0.65 H new ATOM 0 HB3 ARG A 620 144.764 -13.603 -11.351 1.00 0.65 H new ATOM 0 HG2 ARG A 620 142.429 -12.768 -12.334 1.00 1.39 H new ATOM 0 HG3 ARG A 620 143.198 -13.035 -13.886 1.00 1.39 H new ATOM 0 HD2 ARG A 620 142.958 -15.134 -11.653 1.00 1.90 H new ATOM 0 HD3 ARG A 620 142.013 -15.112 -13.129 1.00 1.90 H new ATOM 0 HE ARG A 620 144.846 -14.901 -13.829 1.00 2.53 H new ATOM 0 HH11 ARG A 620 142.926 -16.782 -15.179 1.00 3.67 H new ATOM 0 HH12 ARG A 620 143.501 -18.361 -14.635 1.00 3.67 H new ATOM 0 HH21 ARG A 620 145.358 -17.044 -11.979 1.00 3.78 H new ATOM 0 HH22 ARG A 620 144.867 -18.508 -12.837 1.00 3.78 H new ATOM 1157 N VAL A 621 145.864 -10.584 -9.973 1.00 0.45 N ATOM 1158 CA VAL A 621 147.131 -10.163 -9.309 1.00 0.38 C ATOM 1159 C VAL A 621 147.759 -9.114 -10.224 1.00 0.34 C ATOM 1160 O VAL A 621 148.962 -8.983 -10.341 1.00 0.39 O ATOM 1161 CB VAL A 621 148.012 -11.419 -9.208 1.00 0.45 C ATOM 1162 CG1 VAL A 621 149.142 -11.159 -8.218 1.00 1.34 C ATOM 1163 CG2 VAL A 621 147.186 -12.613 -8.713 1.00 1.36 C ATOM 0 H VAL A 621 145.010 -10.400 -9.446 1.00 0.45 H new ATOM 0 HA VAL A 621 146.994 -9.743 -8.312 1.00 0.38 H new ATOM 0 HB VAL A 621 148.415 -11.647 -10.195 1.00 0.45 H new ATOM 0 HG11 VAL A 621 149.770 -12.046 -8.142 1.00 1.34 H new ATOM 0 HG12 VAL A 621 149.742 -10.318 -8.564 1.00 1.34 H new ATOM 0 HG13 VAL A 621 148.722 -10.927 -7.239 1.00 1.34 H new ATOM 0 HG21 VAL A 621 147.824 -13.494 -8.647 1.00 1.36 H new ATOM 0 HG22 VAL A 621 146.775 -12.388 -7.729 1.00 1.36 H new ATOM 0 HG23 VAL A 621 146.371 -12.806 -9.411 1.00 1.36 H new ATOM 1173 N HIS A 622 146.900 -8.387 -10.892 1.00 0.32 N ATOM 1174 CA HIS A 622 147.310 -7.336 -11.850 1.00 0.29 C ATOM 1175 C HIS A 622 148.468 -6.515 -11.312 1.00 0.22 C ATOM 1176 O HIS A 622 149.562 -6.525 -11.837 1.00 0.22 O ATOM 1177 CB HIS A 622 146.072 -6.456 -11.945 1.00 0.33 C ATOM 1178 CG HIS A 622 146.204 -5.567 -13.126 1.00 0.30 C ATOM 1179 ND1 HIS A 622 146.142 -6.069 -14.415 1.00 0.30 N ATOM 1180 CD2 HIS A 622 146.398 -4.211 -13.250 1.00 0.42 C ATOM 1181 CE1 HIS A 622 146.289 -5.045 -15.256 1.00 0.30 C ATOM 1182 NE2 HIS A 622 146.449 -3.913 -14.591 1.00 0.40 N ATOM 0 H HIS A 622 145.889 -8.491 -10.802 1.00 0.32 H new ATOM 0 HA HIS A 622 147.642 -7.750 -12.802 1.00 0.29 H new ATOM 0 HB2 HIS A 622 145.177 -7.072 -12.035 1.00 0.33 H new ATOM 0 HB3 HIS A 622 145.960 -5.863 -11.037 1.00 0.33 H new ATOM 0 HD2 HIS A 622 146.493 -3.505 -12.438 1.00 0.42 H new ATOM 0 HE1 HIS A 622 146.279 -5.128 -16.333 1.00 0.30 H new ATOM 0 HE2 HIS A 622 146.585 -2.988 -14.999 1.00 0.40 H new ATOM 1190 N CYS A 623 148.225 -5.825 -10.245 1.00 0.22 N ATOM 1191 CA CYS A 623 149.312 -4.996 -9.632 1.00 0.19 C ATOM 1192 C CYS A 623 149.799 -5.715 -8.375 1.00 0.18 C ATOM 1193 O CYS A 623 149.116 -6.580 -7.861 1.00 0.19 O ATOM 1194 CB CYS A 623 148.698 -3.656 -9.243 1.00 0.23 C ATOM 1195 SG CYS A 623 147.156 -3.892 -8.332 1.00 0.44 S ATOM 0 H CYS A 623 147.327 -5.792 -9.763 1.00 0.22 H new ATOM 0 HA CYS A 623 150.144 -4.847 -10.320 1.00 0.19 H new ATOM 0 HB2 CYS A 623 149.403 -3.092 -8.632 1.00 0.23 H new ATOM 0 HB3 CYS A 623 148.509 -3.065 -10.139 1.00 0.23 H new ATOM 0 HG CYS A 623 146.986 -5.157 -8.088 1.00 0.44 H new ATOM 1201 N PHE A 624 150.935 -5.370 -7.847 1.00 0.17 N ATOM 1202 CA PHE A 624 151.383 -6.059 -6.594 1.00 0.16 C ATOM 1203 C PHE A 624 152.086 -5.064 -5.673 1.00 0.16 C ATOM 1204 O PHE A 624 153.218 -4.692 -5.893 1.00 0.20 O ATOM 1205 CB PHE A 624 152.317 -7.209 -7.042 1.00 0.17 C ATOM 1206 CG PHE A 624 153.499 -7.368 -6.095 1.00 0.17 C ATOM 1207 CD1 PHE A 624 153.302 -7.394 -4.704 1.00 0.19 C ATOM 1208 CD2 PHE A 624 154.799 -7.485 -6.612 1.00 0.18 C ATOM 1209 CE1 PHE A 624 154.396 -7.529 -3.843 1.00 0.22 C ATOM 1210 CE2 PHE A 624 155.890 -7.624 -5.747 1.00 0.22 C ATOM 1211 CZ PHE A 624 155.689 -7.644 -4.364 1.00 0.23 C ATOM 0 H PHE A 624 151.566 -4.657 -8.213 1.00 0.17 H new ATOM 0 HA PHE A 624 150.547 -6.462 -6.023 1.00 0.16 H new ATOM 0 HB2 PHE A 624 151.754 -8.141 -7.083 1.00 0.17 H new ATOM 0 HB3 PHE A 624 152.681 -7.012 -8.050 1.00 0.17 H new ATOM 0 HD1 PHE A 624 152.304 -7.310 -4.299 1.00 0.19 H new ATOM 0 HD2 PHE A 624 154.957 -7.468 -7.680 1.00 0.18 H new ATOM 0 HE1 PHE A 624 154.242 -7.544 -2.774 1.00 0.22 H new ATOM 0 HE2 PHE A 624 156.888 -7.716 -6.148 1.00 0.22 H new ATOM 0 HZ PHE A 624 156.532 -7.748 -3.697 1.00 0.23 H new ATOM 1221 N ILE A 625 151.425 -4.653 -4.625 1.00 0.15 N ATOM 1222 CA ILE A 625 152.065 -3.705 -3.677 1.00 0.16 C ATOM 1223 C ILE A 625 152.852 -4.508 -2.642 1.00 0.16 C ATOM 1224 O ILE A 625 152.505 -5.624 -2.309 1.00 0.25 O ATOM 1225 CB ILE A 625 150.913 -2.925 -3.029 1.00 0.22 C ATOM 1226 CG1 ILE A 625 150.428 -1.847 -4.005 1.00 0.26 C ATOM 1227 CG2 ILE A 625 151.398 -2.256 -1.736 1.00 0.40 C ATOM 1228 CD1 ILE A 625 149.235 -1.097 -3.404 1.00 0.34 C ATOM 0 H ILE A 625 150.473 -4.933 -4.387 1.00 0.15 H new ATOM 0 HA ILE A 625 152.762 -3.020 -4.159 1.00 0.16 H new ATOM 0 HB ILE A 625 150.098 -3.610 -2.794 1.00 0.22 H new ATOM 0 HG12 ILE A 625 151.237 -1.149 -4.220 1.00 0.26 H new ATOM 0 HG13 ILE A 625 150.141 -2.304 -4.952 1.00 0.26 H new ATOM 0 HG21 ILE A 625 150.575 -1.704 -1.281 1.00 0.40 H new ATOM 0 HG22 ILE A 625 151.751 -3.019 -1.042 1.00 0.40 H new ATOM 0 HG23 ILE A 625 152.213 -1.569 -1.965 1.00 0.40 H new ATOM 0 HD11 ILE A 625 148.896 -0.333 -4.103 1.00 0.34 H new ATOM 0 HD12 ILE A 625 148.423 -1.799 -3.212 1.00 0.34 H new ATOM 0 HD13 ILE A 625 149.536 -0.625 -2.469 1.00 0.34 H new ATOM 1240 N PHE A 626 153.918 -3.953 -2.153 1.00 0.21 N ATOM 1241 CA PHE A 626 154.753 -4.676 -1.159 1.00 0.22 C ATOM 1242 C PHE A 626 155.112 -3.732 -0.018 1.00 0.22 C ATOM 1243 O PHE A 626 154.895 -2.539 -0.095 1.00 0.22 O ATOM 1244 CB PHE A 626 155.989 -5.086 -1.960 1.00 0.26 C ATOM 1245 CG PHE A 626 157.036 -5.703 -1.068 1.00 0.28 C ATOM 1246 CD1 PHE A 626 156.826 -6.971 -0.524 1.00 0.31 C ATOM 1247 CD2 PHE A 626 158.225 -5.015 -0.803 1.00 0.36 C ATOM 1248 CE1 PHE A 626 157.802 -7.554 0.287 1.00 0.38 C ATOM 1249 CE2 PHE A 626 159.200 -5.598 0.011 1.00 0.42 C ATOM 1250 CZ PHE A 626 158.988 -6.867 0.556 1.00 0.40 C ATOM 0 H PHE A 626 154.251 -3.021 -2.400 1.00 0.21 H new ATOM 0 HA PHE A 626 154.259 -5.535 -0.704 1.00 0.22 H new ATOM 0 HB2 PHE A 626 155.704 -5.797 -2.736 1.00 0.26 H new ATOM 0 HB3 PHE A 626 156.405 -4.214 -2.464 1.00 0.26 H new ATOM 0 HD1 PHE A 626 155.908 -7.502 -0.730 1.00 0.31 H new ATOM 0 HD2 PHE A 626 158.389 -4.035 -1.227 1.00 0.36 H new ATOM 0 HE1 PHE A 626 157.640 -8.536 0.706 1.00 0.38 H new ATOM 0 HE2 PHE A 626 160.118 -5.068 0.219 1.00 0.42 H new ATOM 0 HZ PHE A 626 159.741 -7.317 1.186 1.00 0.40 H new ATOM 1260 N LYS A 627 155.656 -4.253 1.037 1.00 0.27 N ATOM 1261 CA LYS A 627 156.029 -3.382 2.185 1.00 0.30 C ATOM 1262 C LYS A 627 157.287 -3.928 2.865 1.00 0.42 C ATOM 1263 O LYS A 627 157.411 -5.113 3.101 1.00 0.58 O ATOM 1264 CB LYS A 627 154.811 -3.394 3.110 1.00 0.38 C ATOM 1265 CG LYS A 627 155.227 -3.171 4.572 1.00 0.76 C ATOM 1266 CD LYS A 627 155.934 -1.822 4.712 1.00 0.59 C ATOM 1267 CE LYS A 627 154.897 -0.715 4.935 1.00 0.64 C ATOM 1268 NZ LYS A 627 154.733 -0.621 6.415 1.00 1.27 N ATOM 0 H LYS A 627 155.861 -5.245 1.158 1.00 0.27 H new ATOM 0 HA LYS A 627 156.271 -2.362 1.887 1.00 0.30 H new ATOM 0 HB2 LYS A 627 154.111 -2.616 2.805 1.00 0.38 H new ATOM 0 HB3 LYS A 627 154.289 -4.347 3.018 1.00 0.38 H new ATOM 0 HG2 LYS A 627 154.349 -3.200 5.217 1.00 0.76 H new ATOM 0 HG3 LYS A 627 155.889 -3.974 4.897 1.00 0.76 H new ATOM 0 HD2 LYS A 627 156.633 -1.852 5.548 1.00 0.59 H new ATOM 0 HD3 LYS A 627 156.517 -1.612 3.816 1.00 0.59 H new ATOM 0 HE2 LYS A 627 155.237 0.232 4.516 1.00 0.64 H new ATOM 0 HE3 LYS A 627 153.952 -0.958 4.449 1.00 0.64 H new ATOM 0 HZ1 LYS A 627 153.722 -0.546 6.648 1.00 1.27 H new ATOM 0 HZ2 LYS A 627 155.129 -1.472 6.863 1.00 1.27 H new ATOM 0 HZ3 LYS A 627 155.233 0.220 6.767 1.00 1.27 H new ATOM 1282 N LYS A 628 158.228 -3.072 3.162 1.00 0.40 N ATOM 1283 CA LYS A 628 159.490 -3.550 3.807 1.00 0.52 C ATOM 1284 C LYS A 628 160.194 -2.417 4.551 1.00 0.49 C ATOM 1285 O LYS A 628 159.806 -1.271 4.468 1.00 0.57 O ATOM 1286 CB LYS A 628 160.358 -4.023 2.651 1.00 0.60 C ATOM 1287 CG LYS A 628 160.902 -5.425 2.941 1.00 0.78 C ATOM 1288 CD LYS A 628 162.386 -5.333 3.307 1.00 1.19 C ATOM 1289 CE LYS A 628 162.761 -6.506 4.216 1.00 1.54 C ATOM 1290 NZ LYS A 628 164.244 -6.606 4.120 1.00 2.11 N ATOM 0 H LYS A 628 158.180 -2.068 2.988 1.00 0.40 H new ATOM 0 HA LYS A 628 159.294 -4.332 4.541 1.00 0.52 H new ATOM 0 HB2 LYS A 628 159.776 -4.034 1.730 1.00 0.60 H new ATOM 0 HB3 LYS A 628 161.184 -3.328 2.498 1.00 0.60 H new ATOM 0 HG2 LYS A 628 160.343 -5.881 3.758 1.00 0.78 H new ATOM 0 HG3 LYS A 628 160.771 -6.065 2.068 1.00 0.78 H new ATOM 0 HD2 LYS A 628 162.996 -5.349 2.404 1.00 1.19 H new ATOM 0 HD3 LYS A 628 162.589 -4.388 3.812 1.00 1.19 H new ATOM 0 HE2 LYS A 628 162.443 -6.327 5.243 1.00 1.54 H new ATOM 0 HE3 LYS A 628 162.281 -7.428 3.889 1.00 1.54 H new ATOM 0 HZ1 LYS A 628 164.578 -7.389 4.717 1.00 2.11 H new ATOM 0 HZ2 LYS A 628 164.517 -6.783 3.132 1.00 2.11 H new ATOM 0 HZ3 LYS A 628 164.674 -5.716 4.444 1.00 2.11 H new ATOM 1304 N ARG A 629 161.241 -2.736 5.265 1.00 0.47 N ATOM 1305 CA ARG A 629 161.992 -1.683 6.006 1.00 0.45 C ATOM 1306 C ARG A 629 162.550 -0.655 5.018 1.00 0.45 C ATOM 1307 O ARG A 629 163.015 -1.000 3.950 1.00 0.54 O ATOM 1308 CB ARG A 629 163.129 -2.424 6.710 1.00 0.50 C ATOM 1309 CG ARG A 629 163.541 -1.651 7.965 1.00 0.50 C ATOM 1310 CD ARG A 629 162.813 -2.226 9.184 1.00 0.66 C ATOM 1311 NE ARG A 629 163.894 -2.723 10.081 1.00 1.04 N ATOM 1312 CZ ARG A 629 163.822 -3.923 10.593 1.00 1.26 C ATOM 1313 NH1 ARG A 629 162.661 -4.437 10.895 1.00 1.49 N ATOM 1314 NH2 ARG A 629 164.913 -4.607 10.804 1.00 1.84 N ATOM 0 H ARG A 629 161.608 -3.682 5.367 1.00 0.47 H new ATOM 0 HA ARG A 629 161.364 -1.143 6.715 1.00 0.45 H new ATOM 0 HB2 ARG A 629 162.810 -3.431 6.978 1.00 0.50 H new ATOM 0 HB3 ARG A 629 163.981 -2.528 6.038 1.00 0.50 H new ATOM 0 HG2 ARG A 629 164.620 -1.718 8.108 1.00 0.50 H new ATOM 0 HG3 ARG A 629 163.300 -0.594 7.849 1.00 0.50 H new ATOM 0 HD2 ARG A 629 162.209 -1.465 9.678 1.00 0.66 H new ATOM 0 HD3 ARG A 629 162.138 -3.032 8.896 1.00 0.66 H new ATOM 0 HE ARG A 629 164.692 -2.125 10.296 1.00 1.04 H new ATOM 0 HH11 ARG A 629 161.808 -3.902 10.731 1.00 1.49 H new ATOM 0 HH12 ARG A 629 162.606 -5.374 11.295 1.00 1.49 H new ATOM 0 HH21 ARG A 629 165.821 -4.205 10.569 1.00 1.84 H new ATOM 0 HH22 ARG A 629 164.858 -5.544 11.204 1.00 1.84 H new ATOM 1328 N HIS A 630 162.502 0.604 5.365 1.00 0.45 N ATOM 1329 CA HIS A 630 163.025 1.663 4.448 1.00 0.50 C ATOM 1330 C HIS A 630 164.407 1.295 3.914 1.00 0.58 C ATOM 1331 O HIS A 630 164.701 1.465 2.748 1.00 0.77 O ATOM 1332 CB HIS A 630 163.123 2.911 5.307 1.00 0.54 C ATOM 1333 CG HIS A 630 163.965 3.944 4.606 1.00 0.62 C ATOM 1334 ND1 HIS A 630 163.426 4.868 3.725 1.00 0.82 N ATOM 1335 CD2 HIS A 630 165.315 4.193 4.631 1.00 0.82 C ATOM 1336 CE1 HIS A 630 164.439 5.623 3.261 1.00 0.83 C ATOM 1337 NE2 HIS A 630 165.612 5.254 3.782 1.00 0.84 N ATOM 0 H HIS A 630 162.122 0.947 6.247 1.00 0.45 H new ATOM 0 HA HIS A 630 162.377 1.796 3.582 1.00 0.50 H new ATOM 0 HB2 HIS A 630 162.127 3.310 5.501 1.00 0.54 H new ATOM 0 HB3 HIS A 630 163.562 2.665 6.274 1.00 0.54 H new ATOM 0 HD1 HIS A 630 162.442 4.959 3.474 1.00 0.82 H new ATOM 0 HD2 HIS A 630 166.037 3.648 5.221 1.00 0.82 H new ATOM 0 HE1 HIS A 630 164.318 6.430 2.553 1.00 0.83 H new ATOM 1516 N GLY A 643 164.803 0.315 11.482 1.00 1.09 N ATOM 1517 CA GLY A 643 163.375 0.142 11.850 1.00 0.99 C ATOM 1518 C GLY A 643 162.509 0.796 10.781 1.00 0.76 C ATOM 1519 O GLY A 643 162.844 0.800 9.612 1.00 0.69 O ATOM 0 HA2 GLY A 643 163.133 -0.917 11.935 1.00 0.99 H new ATOM 0 HA3 GLY A 643 163.179 0.593 12.823 1.00 0.99 H new ATOM 1523 N LEU A 644 161.398 1.350 11.171 1.00 0.74 N ATOM 1524 CA LEU A 644 160.497 2.011 10.178 1.00 0.60 C ATOM 1525 C LEU A 644 160.163 1.032 9.051 1.00 0.53 C ATOM 1526 O LEU A 644 160.525 -0.127 9.103 1.00 0.60 O ATOM 1527 CB LEU A 644 161.282 3.213 9.629 1.00 0.57 C ATOM 1528 CG LEU A 644 162.050 3.917 10.756 1.00 0.70 C ATOM 1529 CD1 LEU A 644 162.686 5.199 10.214 1.00 0.77 C ATOM 1530 CD2 LEU A 644 161.090 4.271 11.895 1.00 0.80 C ATOM 0 H LEU A 644 161.070 1.376 12.137 1.00 0.74 H new ATOM 0 HA LEU A 644 159.556 2.326 10.630 1.00 0.60 H new ATOM 0 HB2 LEU A 644 161.979 2.879 8.860 1.00 0.57 H new ATOM 0 HB3 LEU A 644 160.597 3.916 9.154 1.00 0.57 H new ATOM 0 HG LEU A 644 162.827 3.251 11.132 1.00 0.70 H new ATOM 0 HD11 LEU A 644 163.232 5.700 11.013 1.00 0.77 H new ATOM 0 HD12 LEU A 644 163.373 4.950 9.405 1.00 0.77 H new ATOM 0 HD13 LEU A 644 161.906 5.861 9.837 1.00 0.77 H new ATOM 0 HD21 LEU A 644 161.640 4.771 12.692 1.00 0.80 H new ATOM 0 HD22 LEU A 644 160.311 4.935 11.521 1.00 0.80 H new ATOM 0 HD23 LEU A 644 160.635 3.360 12.284 1.00 0.80 H new ATOM 1542 N ASP A 645 159.478 1.482 8.035 1.00 0.50 N ATOM 1543 CA ASP A 645 159.129 0.562 6.915 1.00 0.48 C ATOM 1544 C ASP A 645 158.583 1.342 5.717 1.00 0.44 C ATOM 1545 O ASP A 645 157.648 2.109 5.836 1.00 0.69 O ATOM 1546 CB ASP A 645 158.049 -0.360 7.487 1.00 0.62 C ATOM 1547 CG ASP A 645 158.671 -1.701 7.883 1.00 1.01 C ATOM 1548 OD1 ASP A 645 158.984 -2.473 6.992 1.00 1.48 O ATOM 1549 OD2 ASP A 645 158.823 -1.933 9.071 1.00 1.72 O ATOM 0 H ASP A 645 159.147 2.441 7.932 1.00 0.50 H new ATOM 0 HA ASP A 645 159.998 0.011 6.556 1.00 0.48 H new ATOM 0 HB2 ASP A 645 157.582 0.106 8.355 1.00 0.62 H new ATOM 0 HB3 ASP A 645 157.263 -0.517 6.748 1.00 0.62 H new ATOM 1554 N ASP A 646 159.149 1.134 4.559 1.00 0.31 N ATOM 1555 CA ASP A 646 158.652 1.843 3.347 1.00 0.28 C ATOM 1556 C ASP A 646 157.714 0.919 2.573 1.00 0.29 C ATOM 1557 O ASP A 646 157.679 -0.272 2.799 1.00 0.65 O ATOM 1558 CB ASP A 646 159.895 2.161 2.518 1.00 0.35 C ATOM 1559 CG ASP A 646 160.240 3.645 2.660 1.00 0.54 C ATOM 1560 OD1 ASP A 646 159.743 4.427 1.866 1.00 1.06 O ATOM 1561 OD2 ASP A 646 160.994 3.975 3.561 1.00 1.41 O ATOM 0 H ASP A 646 159.935 0.503 4.401 1.00 0.31 H new ATOM 0 HA ASP A 646 158.098 2.749 3.592 1.00 0.28 H new ATOM 0 HB2 ASP A 646 160.733 1.549 2.851 1.00 0.35 H new ATOM 0 HB3 ASP A 646 159.718 1.917 1.471 1.00 0.35 H new ATOM 1566 N ILE A 647 156.957 1.457 1.663 1.00 0.35 N ATOM 1567 CA ILE A 647 156.015 0.604 0.873 1.00 0.30 C ATOM 1568 C ILE A 647 156.546 0.418 -0.549 1.00 0.24 C ATOM 1569 O ILE A 647 157.384 1.171 -1.007 1.00 0.34 O ATOM 1570 CB ILE A 647 154.661 1.335 0.879 1.00 0.46 C ATOM 1571 CG1 ILE A 647 154.855 2.833 1.175 1.00 0.75 C ATOM 1572 CG2 ILE A 647 153.775 0.714 1.962 1.00 0.46 C ATOM 1573 CD1 ILE A 647 153.519 3.571 1.086 1.00 1.04 C ATOM 0 H ILE A 647 156.945 2.449 1.428 1.00 0.35 H new ATOM 0 HA ILE A 647 155.911 -0.392 1.302 1.00 0.30 H new ATOM 0 HB ILE A 647 154.194 1.234 -0.101 1.00 0.46 H new ATOM 0 HG12 ILE A 647 155.283 2.961 2.169 1.00 0.75 H new ATOM 0 HG13 ILE A 647 155.563 3.262 0.465 1.00 0.75 H new ATOM 0 HG21 ILE A 647 152.811 1.222 1.979 1.00 0.46 H new ATOM 0 HG22 ILE A 647 153.624 -0.344 1.746 1.00 0.46 H new ATOM 0 HG23 ILE A 647 154.258 0.821 2.933 1.00 0.46 H new ATOM 0 HD11 ILE A 647 153.673 4.629 1.298 1.00 1.04 H new ATOM 0 HD12 ILE A 647 153.107 3.458 0.083 1.00 1.04 H new ATOM 0 HD13 ILE A 647 152.823 3.153 1.813 1.00 1.04 H new ATOM 1585 N TRP A 648 156.093 -0.595 -1.244 1.00 0.21 N ATOM 1586 CA TRP A 648 156.616 -0.831 -2.620 1.00 0.24 C ATOM 1587 C TRP A 648 155.521 -1.247 -3.606 1.00 0.26 C ATOM 1588 O TRP A 648 155.180 -2.409 -3.707 1.00 0.49 O ATOM 1589 CB TRP A 648 157.608 -1.977 -2.449 1.00 0.27 C ATOM 1590 CG TRP A 648 158.852 -1.459 -1.821 1.00 0.28 C ATOM 1591 CD1 TRP A 648 159.289 -1.782 -0.584 1.00 0.30 C ATOM 1592 CD2 TRP A 648 159.822 -0.533 -2.377 1.00 0.29 C ATOM 1593 NE1 TRP A 648 160.465 -1.100 -0.338 1.00 0.32 N ATOM 1594 CE2 TRP A 648 160.838 -0.317 -1.419 1.00 0.32 C ATOM 1595 CE3 TRP A 648 159.914 0.137 -3.608 1.00 0.30 C ATOM 1596 CZ2 TRP A 648 161.912 0.539 -1.679 1.00 0.36 C ATOM 1597 CZ3 TRP A 648 160.991 0.996 -3.871 1.00 0.35 C ATOM 1598 CH2 TRP A 648 161.987 1.198 -2.908 1.00 0.38 C ATOM 0 H TRP A 648 155.391 -1.261 -0.921 1.00 0.21 H new ATOM 0 HA TRP A 648 157.053 0.079 -3.031 1.00 0.24 H new ATOM 0 HB2 TRP A 648 157.173 -2.761 -1.829 1.00 0.27 H new ATOM 0 HB3 TRP A 648 157.834 -2.425 -3.417 1.00 0.27 H new ATOM 0 HD1 TRP A 648 158.800 -2.461 0.099 1.00 0.30 H new ATOM 0 HE1 TRP A 648 160.994 -1.165 0.532 1.00 0.32 H new ATOM 0 HE3 TRP A 648 159.150 -0.010 -4.357 1.00 0.30 H new ATOM 0 HZ2 TRP A 648 162.679 0.690 -0.934 1.00 0.36 H new ATOM 0 HZ3 TRP A 648 161.052 1.505 -4.822 1.00 0.35 H new ATOM 0 HH2 TRP A 648 162.812 1.863 -3.115 1.00 0.38 H new ATOM 1609 N TYR A 649 155.011 -0.325 -4.378 1.00 0.22 N ATOM 1610 CA TYR A 649 153.991 -0.702 -5.397 1.00 0.20 C ATOM 1611 C TYR A 649 154.694 -1.485 -6.497 1.00 0.21 C ATOM 1612 O TYR A 649 155.639 -1.008 -7.083 1.00 0.40 O ATOM 1613 CB TYR A 649 153.462 0.608 -5.952 1.00 0.26 C ATOM 1614 CG TYR A 649 152.146 0.377 -6.661 1.00 0.35 C ATOM 1615 CD1 TYR A 649 152.016 -0.650 -7.609 1.00 0.48 C ATOM 1616 CD2 TYR A 649 151.055 1.199 -6.374 1.00 1.00 C ATOM 1617 CE1 TYR A 649 150.796 -0.851 -8.263 1.00 0.53 C ATOM 1618 CE2 TYR A 649 149.838 0.996 -7.028 1.00 1.29 C ATOM 1619 CZ TYR A 649 149.706 -0.027 -7.972 1.00 0.91 C ATOM 1620 OH TYR A 649 148.502 -0.222 -8.617 1.00 1.21 O ATOM 0 H TYR A 649 155.254 0.665 -4.348 1.00 0.22 H new ATOM 0 HA TYR A 649 153.184 -1.310 -4.988 1.00 0.20 H new ATOM 0 HB2 TYR A 649 153.327 1.327 -5.144 1.00 0.26 H new ATOM 0 HB3 TYR A 649 154.186 1.038 -6.644 1.00 0.26 H new ATOM 0 HD1 TYR A 649 152.859 -1.286 -7.834 1.00 0.48 H new ATOM 0 HD2 TYR A 649 151.152 1.991 -5.647 1.00 1.00 H new ATOM 0 HE1 TYR A 649 150.697 -1.642 -8.992 1.00 0.53 H new ATOM 0 HE2 TYR A 649 148.995 1.632 -6.804 1.00 1.29 H new ATOM 0 HH TYR A 649 148.119 0.646 -8.865 1.00 1.21 H new ATOM 1630 N CYS A 650 154.269 -2.682 -6.778 1.00 0.21 N ATOM 1631 CA CYS A 650 154.964 -3.468 -7.838 1.00 0.21 C ATOM 1632 C CYS A 650 153.963 -4.201 -8.730 1.00 0.21 C ATOM 1633 O CYS A 650 153.374 -5.174 -8.327 1.00 0.22 O ATOM 1634 CB CYS A 650 155.826 -4.488 -7.083 1.00 0.23 C ATOM 1635 SG CYS A 650 156.810 -3.672 -5.796 1.00 0.90 S ATOM 0 H CYS A 650 153.481 -3.148 -6.328 1.00 0.21 H new ATOM 0 HA CYS A 650 155.551 -2.819 -8.488 1.00 0.21 H new ATOM 0 HB2 CYS A 650 155.187 -5.248 -6.632 1.00 0.23 H new ATOM 0 HB3 CYS A 650 156.487 -5.001 -7.782 1.00 0.23 H new ATOM 0 HG CYS A 650 156.038 -3.344 -4.802 1.00 0.90 H new ATOM 1641 N HIS A 651 153.781 -3.759 -9.947 1.00 0.22 N ATOM 1642 CA HIS A 651 152.824 -4.472 -10.855 1.00 0.24 C ATOM 1643 C HIS A 651 153.384 -5.855 -11.213 1.00 0.29 C ATOM 1644 O HIS A 651 154.561 -6.002 -11.481 1.00 0.64 O ATOM 1645 CB HIS A 651 152.712 -3.616 -12.121 1.00 0.27 C ATOM 1646 CG HIS A 651 151.565 -4.132 -12.959 1.00 0.29 C ATOM 1647 ND1 HIS A 651 150.237 -4.061 -12.525 1.00 0.31 N ATOM 1648 CD2 HIS A 651 151.518 -4.759 -14.188 1.00 0.41 C ATOM 1649 CE1 HIS A 651 149.467 -4.634 -13.471 1.00 0.36 C ATOM 1650 NE2 HIS A 651 150.206 -5.064 -14.469 1.00 0.40 N ATOM 0 H HIS A 651 154.245 -2.946 -10.351 1.00 0.22 H new ATOM 0 HA HIS A 651 151.852 -4.611 -10.381 1.00 0.24 H new ATOM 0 HB2 HIS A 651 152.546 -2.572 -11.857 1.00 0.27 H new ATOM 0 HB3 HIS A 651 153.642 -3.658 -12.688 1.00 0.27 H new ATOM 0 HD2 HIS A 651 152.366 -4.974 -14.821 1.00 0.41 H new ATOM 0 HE1 HIS A 651 148.392 -4.727 -13.417 1.00 0.36 H new ATOM 0 HE2 HIS A 651 149.867 -5.540 -15.305 1.00 0.40 H new ATOM 1658 N THR A 652 152.557 -6.869 -11.225 1.00 0.32 N ATOM 1659 CA THR A 652 153.059 -8.237 -11.574 1.00 0.32 C ATOM 1660 C THR A 652 152.162 -8.901 -12.622 1.00 0.32 C ATOM 1661 O THR A 652 152.561 -9.839 -13.284 1.00 0.37 O ATOM 1662 CB THR A 652 153.017 -9.037 -10.272 1.00 0.40 C ATOM 1663 OG1 THR A 652 152.021 -8.504 -9.411 1.00 0.44 O ATOM 1664 CG2 THR A 652 154.385 -8.967 -9.595 1.00 0.45 C ATOM 0 H THR A 652 151.562 -6.812 -11.010 1.00 0.32 H new ATOM 0 HA THR A 652 154.062 -8.190 -11.997 1.00 0.32 H new ATOM 0 HB THR A 652 152.773 -10.077 -10.490 1.00 0.40 H new ATOM 0 HG1 THR A 652 151.133 -8.698 -9.778 1.00 0.44 H new ATOM 0 HG21 THR A 652 154.361 -9.536 -8.666 1.00 0.45 H new ATOM 0 HG22 THR A 652 155.141 -9.387 -10.258 1.00 0.45 H new ATOM 0 HG23 THR A 652 154.631 -7.928 -9.378 1.00 0.45 H new ATOM 1672 N GLY A 653 150.953 -8.434 -12.769 1.00 0.31 N ATOM 1673 CA GLY A 653 150.029 -9.048 -13.761 1.00 0.35 C ATOM 1674 C GLY A 653 150.638 -8.994 -15.162 1.00 0.39 C ATOM 1675 O GLY A 653 151.799 -8.690 -15.343 1.00 0.42 O ATOM 0 H GLY A 653 150.565 -7.651 -12.243 1.00 0.31 H new ATOM 0 HA2 GLY A 653 149.825 -10.083 -13.486 1.00 0.35 H new ATOM 0 HA3 GLY A 653 149.074 -8.522 -13.752 1.00 0.35 H new ATOM 1679 N THR A 654 149.844 -9.284 -16.149 1.00 0.42 N ATOM 1680 CA THR A 654 150.328 -9.257 -17.564 1.00 0.48 C ATOM 1681 C THR A 654 150.208 -7.846 -18.133 1.00 0.48 C ATOM 1682 O THR A 654 150.684 -7.545 -19.211 1.00 0.52 O ATOM 1683 CB THR A 654 149.367 -10.182 -18.298 1.00 0.56 C ATOM 1684 OG1 THR A 654 149.363 -11.457 -17.670 1.00 0.67 O ATOM 1685 CG2 THR A 654 149.795 -10.327 -19.760 1.00 0.52 C ATOM 0 H THR A 654 148.864 -9.543 -16.039 1.00 0.42 H new ATOM 0 HA THR A 654 151.371 -9.559 -17.656 1.00 0.48 H new ATOM 0 HB THR A 654 148.364 -9.757 -18.263 1.00 0.56 H new ATOM 0 HG1 THR A 654 148.743 -12.052 -18.141 1.00 0.67 H new ATOM 0 HG21 THR A 654 149.102 -10.990 -20.278 1.00 0.52 H new ATOM 0 HG22 THR A 654 149.788 -9.348 -20.240 1.00 0.52 H new ATOM 0 HG23 THR A 654 150.800 -10.746 -19.805 1.00 0.52 H new ATOM 1693 N ASN A 655 149.535 -7.000 -17.421 1.00 0.45 N ATOM 1694 CA ASN A 655 149.308 -5.607 -17.891 1.00 0.46 C ATOM 1695 C ASN A 655 150.239 -4.629 -17.169 1.00 0.52 C ATOM 1696 O ASN A 655 151.393 -4.925 -16.925 1.00 1.00 O ATOM 1697 CB ASN A 655 147.853 -5.350 -17.548 1.00 0.54 C ATOM 1698 CG ASN A 655 147.033 -5.123 -18.823 1.00 0.66 C ATOM 1699 OD1 ASN A 655 147.565 -4.733 -19.843 1.00 1.10 O ATOM 1700 ND2 ASN A 655 145.745 -5.352 -18.801 1.00 0.56 N ATOM 0 H ASN A 655 149.122 -7.215 -16.513 1.00 0.45 H new ATOM 0 HA ASN A 655 149.516 -5.473 -18.953 1.00 0.46 H new ATOM 0 HB2 ASN A 655 147.449 -6.197 -16.994 1.00 0.54 H new ATOM 0 HB3 ASN A 655 147.775 -4.478 -16.898 1.00 0.54 H new ATOM 0 HD21 ASN A 655 145.186 -5.203 -19.641 1.00 0.56 H new ATOM 0 HD22 ASN A 655 145.300 -5.679 -17.944 1.00 0.56 H new ATOM 1707 N VAL A 656 149.752 -3.467 -16.833 1.00 0.43 N ATOM 1708 CA VAL A 656 150.605 -2.468 -16.138 1.00 0.48 C ATOM 1709 C VAL A 656 149.795 -1.649 -15.116 1.00 0.55 C ATOM 1710 O VAL A 656 148.750 -1.125 -15.427 1.00 1.35 O ATOM 1711 CB VAL A 656 151.096 -1.556 -17.266 1.00 0.61 C ATOM 1712 CG1 VAL A 656 152.102 -2.311 -18.128 1.00 0.95 C ATOM 1713 CG2 VAL A 656 149.917 -1.122 -18.145 1.00 1.71 C ATOM 0 H VAL A 656 148.794 -3.166 -17.012 1.00 0.43 H new ATOM 0 HA VAL A 656 151.412 -2.940 -15.578 1.00 0.48 H new ATOM 0 HB VAL A 656 151.565 -0.675 -16.828 1.00 0.61 H new ATOM 0 HG11 VAL A 656 152.452 -1.663 -18.931 1.00 0.95 H new ATOM 0 HG12 VAL A 656 152.949 -2.618 -17.514 1.00 0.95 H new ATOM 0 HG13 VAL A 656 151.625 -3.193 -18.556 1.00 0.95 H new ATOM 0 HG21 VAL A 656 150.278 -0.474 -18.944 1.00 1.71 H new ATOM 0 HG22 VAL A 656 149.443 -2.003 -18.579 1.00 1.71 H new ATOM 0 HG23 VAL A 656 149.191 -0.581 -17.539 1.00 1.71 H new ATOM 1723 N SER A 657 150.305 -1.485 -13.918 1.00 0.54 N ATOM 1724 CA SER A 657 149.606 -0.621 -12.912 1.00 0.38 C ATOM 1725 C SER A 657 150.557 0.530 -12.629 1.00 0.30 C ATOM 1726 O SER A 657 151.684 0.508 -13.084 1.00 0.34 O ATOM 1727 CB SER A 657 149.345 -1.445 -11.652 1.00 0.49 C ATOM 1728 OG SER A 657 150.562 -2.015 -11.193 1.00 0.45 O ATOM 0 H SER A 657 151.173 -1.911 -13.593 1.00 0.54 H new ATOM 0 HA SER A 657 148.645 -0.247 -13.266 1.00 0.38 H new ATOM 0 HB2 SER A 657 148.912 -0.814 -10.876 1.00 0.49 H new ATOM 0 HB3 SER A 657 148.621 -2.232 -11.864 1.00 0.49 H new ATOM 0 HG SER A 657 150.503 -2.992 -11.238 1.00 0.45 H new ATOM 1734 N TYR A 658 150.141 1.566 -11.964 1.00 0.27 N ATOM 1735 CA TYR A 658 151.096 2.702 -11.795 1.00 0.30 C ATOM 1736 C TYR A 658 150.860 3.484 -10.509 1.00 0.34 C ATOM 1737 O TYR A 658 150.029 3.140 -9.691 1.00 0.47 O ATOM 1738 CB TYR A 658 150.840 3.577 -13.027 1.00 0.36 C ATOM 1739 CG TYR A 658 150.031 2.787 -14.036 1.00 0.27 C ATOM 1740 CD1 TYR A 658 148.641 2.764 -13.935 1.00 0.29 C ATOM 1741 CD2 TYR A 658 150.666 2.063 -15.055 1.00 0.35 C ATOM 1742 CE1 TYR A 658 147.880 2.030 -14.844 1.00 0.29 C ATOM 1743 CE2 TYR A 658 149.903 1.332 -15.970 1.00 0.37 C ATOM 1744 CZ TYR A 658 148.507 1.318 -15.865 1.00 0.28 C ATOM 1745 OH TYR A 658 147.749 0.605 -16.771 1.00 0.38 O ATOM 0 H TYR A 658 149.219 1.681 -11.543 1.00 0.27 H new ATOM 0 HA TYR A 658 152.126 2.355 -11.717 1.00 0.30 H new ATOM 0 HB2 TYR A 658 150.304 4.482 -12.741 1.00 0.36 H new ATOM 0 HB3 TYR A 658 151.786 3.893 -13.467 1.00 0.36 H new ATOM 0 HD1 TYR A 658 148.151 3.318 -13.148 1.00 0.29 H new ATOM 0 HD2 TYR A 658 151.743 2.070 -15.133 1.00 0.35 H new ATOM 0 HE1 TYR A 658 146.804 2.013 -14.757 1.00 0.29 H new ATOM 0 HE2 TYR A 658 150.391 0.778 -16.758 1.00 0.37 H new ATOM 0 HH TYR A 658 147.557 -0.285 -16.408 1.00 0.38 H new ATOM 1755 N LEU A 659 151.618 4.531 -10.327 1.00 0.32 N ATOM 1756 CA LEU A 659 151.491 5.353 -9.097 1.00 0.40 C ATOM 1757 C LEU A 659 151.432 6.843 -9.446 1.00 0.50 C ATOM 1758 O LEU A 659 152.425 7.542 -9.387 1.00 1.00 O ATOM 1759 CB LEU A 659 152.762 5.044 -8.312 1.00 0.47 C ATOM 1760 CG LEU A 659 152.451 4.996 -6.819 1.00 0.67 C ATOM 1761 CD1 LEU A 659 153.690 4.517 -6.065 1.00 1.12 C ATOM 1762 CD2 LEU A 659 152.071 6.395 -6.332 1.00 1.17 C ATOM 0 H LEU A 659 152.326 4.853 -10.987 1.00 0.32 H new ATOM 0 HA LEU A 659 150.582 5.129 -8.538 1.00 0.40 H new ATOM 0 HB2 LEU A 659 153.178 4.090 -8.637 1.00 0.47 H new ATOM 0 HB3 LEU A 659 153.517 5.805 -8.511 1.00 0.47 H new ATOM 0 HG LEU A 659 151.622 4.312 -6.639 1.00 0.67 H new ATOM 0 HD11 LEU A 659 153.475 4.480 -4.997 1.00 1.12 H new ATOM 0 HD12 LEU A 659 153.966 3.522 -6.414 1.00 1.12 H new ATOM 0 HD13 LEU A 659 154.515 5.206 -6.245 1.00 1.12 H new ATOM 0 HD21 LEU A 659 151.849 6.361 -5.265 1.00 1.17 H new ATOM 0 HD22 LEU A 659 152.901 7.079 -6.508 1.00 1.17 H new ATOM 0 HD23 LEU A 659 151.192 6.743 -6.875 1.00 1.17 H new ATOM 1774 N ASN A 660 150.271 7.333 -9.788 1.00 0.67 N ATOM 1775 CA ASN A 660 150.116 8.784 -10.122 1.00 0.73 C ATOM 1776 C ASN A 660 150.861 9.162 -11.410 1.00 0.98 C ATOM 1777 O ASN A 660 150.256 9.607 -12.367 1.00 1.67 O ATOM 1778 CB ASN A 660 150.699 9.545 -8.926 1.00 1.00 C ATOM 1779 CG ASN A 660 149.787 10.720 -8.571 1.00 0.93 C ATOM 1780 OD1 ASN A 660 148.613 10.538 -8.317 1.00 1.61 O ATOM 1781 ND2 ASN A 660 150.282 11.927 -8.541 1.00 1.38 N ATOM 0 H ASN A 660 149.412 6.786 -9.852 1.00 0.67 H new ATOM 0 HA ASN A 660 149.069 9.029 -10.300 1.00 0.73 H new ATOM 0 HB2 ASN A 660 150.798 8.877 -8.070 1.00 1.00 H new ATOM 0 HB3 ASN A 660 151.699 9.907 -9.165 1.00 1.00 H new ATOM 0 HD21 ASN A 660 149.683 12.718 -8.304 1.00 1.38 H new ATOM 0 HD22 ASN A 660 151.268 12.079 -8.754 1.00 1.38 H new ATOM 1788 N ASN A 661 152.164 9.029 -11.443 1.00 0.72 N ATOM 1789 CA ASN A 661 152.909 9.431 -12.677 1.00 1.10 C ATOM 1790 C ASN A 661 153.939 8.378 -13.110 1.00 0.83 C ATOM 1791 O ASN A 661 154.600 8.542 -14.117 1.00 1.02 O ATOM 1792 CB ASN A 661 153.618 10.729 -12.287 1.00 1.57 C ATOM 1793 CG ASN A 661 153.585 11.709 -13.462 1.00 2.28 C ATOM 1794 OD1 ASN A 661 153.311 11.327 -14.582 1.00 2.89 O ATOM 1795 ND2 ASN A 661 153.856 12.968 -13.251 1.00 2.89 N ATOM 0 H ASN A 661 152.737 8.665 -10.682 1.00 0.72 H new ATOM 0 HA ASN A 661 152.233 9.543 -13.524 1.00 1.10 H new ATOM 0 HB2 ASN A 661 153.133 11.172 -11.418 1.00 1.57 H new ATOM 0 HB3 ASN A 661 154.650 10.520 -12.004 1.00 1.57 H new ATOM 0 HD21 ASN A 661 153.838 13.631 -14.026 1.00 2.89 H new ATOM 0 HD22 ASN A 661 154.086 13.290 -12.311 1.00 2.89 H new ATOM 1802 N ASN A 662 154.096 7.309 -12.376 1.00 0.49 N ATOM 1803 CA ASN A 662 155.102 6.283 -12.788 1.00 0.40 C ATOM 1804 C ASN A 662 154.405 5.057 -13.384 1.00 0.36 C ATOM 1805 O ASN A 662 153.731 4.318 -12.695 1.00 0.47 O ATOM 1806 CB ASN A 662 155.850 5.929 -11.506 1.00 0.64 C ATOM 1807 CG ASN A 662 156.703 7.127 -11.087 1.00 1.20 C ATOM 1808 OD1 ASN A 662 156.310 7.899 -10.235 1.00 2.11 O ATOM 1809 ND2 ASN A 662 157.862 7.317 -11.656 1.00 1.20 N ATOM 0 H ASN A 662 153.580 7.102 -11.521 1.00 0.49 H new ATOM 0 HA ASN A 662 155.779 6.651 -13.559 1.00 0.40 H new ATOM 0 HB2 ASN A 662 155.144 5.673 -10.716 1.00 0.64 H new ATOM 0 HB3 ASN A 662 156.480 5.054 -11.666 1.00 0.64 H new ATOM 0 HD21 ASN A 662 158.438 8.114 -11.386 1.00 1.20 H new ATOM 0 HD22 ASN A 662 158.191 6.669 -12.371 1.00 1.20 H new ATOM 1816 N ARG A 663 154.561 4.847 -14.667 1.00 0.33 N ATOM 1817 CA ARG A 663 153.904 3.681 -15.328 1.00 0.33 C ATOM 1818 C ARG A 663 154.756 2.416 -15.192 1.00 0.38 C ATOM 1819 O ARG A 663 155.870 2.349 -15.673 1.00 0.48 O ATOM 1820 CB ARG A 663 153.783 4.080 -16.800 1.00 0.43 C ATOM 1821 CG ARG A 663 152.925 3.051 -17.545 1.00 0.44 C ATOM 1822 CD ARG A 663 153.766 2.358 -18.620 1.00 0.93 C ATOM 1823 NE ARG A 663 153.491 3.116 -19.873 1.00 1.50 N ATOM 1824 CZ ARG A 663 154.189 2.873 -20.948 1.00 2.12 C ATOM 1825 NH1 ARG A 663 153.867 1.873 -21.723 1.00 2.64 N ATOM 1826 NH2 ARG A 663 155.210 3.629 -21.249 1.00 2.68 N ATOM 0 H ARG A 663 155.118 5.436 -15.286 1.00 0.33 H new ATOM 0 HA ARG A 663 152.939 3.454 -14.875 1.00 0.33 H new ATOM 0 HB2 ARG A 663 153.335 5.070 -16.883 1.00 0.43 H new ATOM 0 HB3 ARG A 663 154.772 4.139 -17.253 1.00 0.43 H new ATOM 0 HG2 ARG A 663 152.534 2.313 -16.844 1.00 0.44 H new ATOM 0 HG3 ARG A 663 152.066 3.542 -18.002 1.00 0.44 H new ATOM 0 HD2 ARG A 663 154.826 2.383 -18.368 1.00 0.93 H new ATOM 0 HD3 ARG A 663 153.487 1.309 -18.724 1.00 0.93 H new ATOM 0 HE ARG A 663 152.757 3.824 -19.890 1.00 1.50 H new ATOM 0 HH11 ARG A 663 153.070 1.282 -21.488 1.00 2.64 H new ATOM 0 HH12 ARG A 663 154.413 1.683 -22.564 1.00 2.64 H new ATOM 0 HH21 ARG A 663 155.462 4.410 -20.643 1.00 2.68 H new ATOM 0 HH22 ARG A 663 155.755 3.438 -22.090 1.00 2.68 H new ATOM 1840 N MET A 664 154.228 1.406 -14.552 1.00 0.40 N ATOM 1841 CA MET A 664 154.990 0.134 -14.395 1.00 0.54 C ATOM 1842 C MET A 664 154.700 -0.781 -15.589 1.00 0.65 C ATOM 1843 O MET A 664 153.688 -0.644 -16.247 1.00 1.27 O ATOM 1844 CB MET A 664 154.471 -0.488 -13.097 1.00 0.63 C ATOM 1845 CG MET A 664 154.638 0.507 -11.947 1.00 0.66 C ATOM 1846 SD MET A 664 153.365 0.205 -10.699 1.00 1.12 S ATOM 1847 CE MET A 664 154.477 -0.312 -9.370 1.00 0.66 C ATOM 0 H MET A 664 153.299 1.408 -14.130 1.00 0.40 H new ATOM 0 HA MET A 664 156.068 0.290 -14.357 1.00 0.54 H new ATOM 0 HB2 MET A 664 153.421 -0.759 -13.207 1.00 0.63 H new ATOM 0 HB3 MET A 664 155.016 -1.406 -12.879 1.00 0.63 H new ATOM 0 HG2 MET A 664 155.629 0.404 -11.504 1.00 0.66 H new ATOM 0 HG3 MET A 664 154.561 1.528 -12.321 1.00 0.66 H new ATOM 0 HE1 MET A 664 154.219 -1.322 -9.052 1.00 0.66 H new ATOM 0 HE2 MET A 664 155.506 -0.296 -9.730 1.00 0.66 H new ATOM 0 HE3 MET A 664 154.377 0.370 -8.526 1.00 0.66 H new ATOM 1857 N ILE A 665 155.575 -1.704 -15.880 1.00 0.39 N ATOM 1858 CA ILE A 665 155.333 -2.611 -17.043 1.00 0.46 C ATOM 1859 C ILE A 665 155.381 -4.079 -16.576 1.00 0.52 C ATOM 1860 O ILE A 665 156.247 -4.848 -16.931 1.00 1.18 O ATOM 1861 CB ILE A 665 156.414 -2.229 -18.094 1.00 0.53 C ATOM 1862 CG1 ILE A 665 157.368 -3.392 -18.404 1.00 1.47 C ATOM 1863 CG2 ILE A 665 157.231 -1.041 -17.582 1.00 1.46 C ATOM 1864 CD1 ILE A 665 158.335 -2.980 -19.517 1.00 1.62 C ATOM 0 H ILE A 665 156.442 -1.871 -15.369 1.00 0.39 H new ATOM 0 HA ILE A 665 154.347 -2.500 -17.493 1.00 0.46 H new ATOM 0 HB ILE A 665 155.890 -1.971 -19.014 1.00 0.53 H new ATOM 0 HG12 ILE A 665 157.925 -3.668 -17.508 1.00 1.47 H new ATOM 0 HG13 ILE A 665 156.800 -4.271 -18.709 1.00 1.47 H new ATOM 0 HG21 ILE A 665 157.988 -0.775 -18.320 1.00 1.46 H new ATOM 0 HG22 ILE A 665 156.571 -0.190 -17.416 1.00 1.46 H new ATOM 0 HG23 ILE A 665 157.717 -1.311 -16.645 1.00 1.46 H new ATOM 0 HD11 ILE A 665 159.011 -3.806 -19.736 1.00 1.62 H new ATOM 0 HD12 ILE A 665 157.770 -2.726 -20.414 1.00 1.62 H new ATOM 0 HD13 ILE A 665 158.913 -2.114 -19.195 1.00 1.62 H new ATOM 1876 N GLN A 666 154.426 -4.463 -15.769 1.00 0.63 N ATOM 1877 CA GLN A 666 154.373 -5.867 -15.257 1.00 0.61 C ATOM 1878 C GLN A 666 155.666 -6.245 -14.561 1.00 0.60 C ATOM 1879 O GLN A 666 156.724 -5.710 -14.824 1.00 1.01 O ATOM 1880 CB GLN A 666 154.120 -6.746 -16.482 1.00 0.61 C ATOM 1881 CG GLN A 666 154.529 -8.195 -16.179 1.00 0.62 C ATOM 1882 CD GLN A 666 154.275 -9.070 -17.406 1.00 0.68 C ATOM 1883 OE1 GLN A 666 153.467 -10.089 -17.307 1.00 0.83 O flip ATOM 1884 NE2 GLN A 666 154.818 -8.825 -18.465 1.00 0.87 N flip ATOM 0 H GLN A 666 153.673 -3.859 -15.439 1.00 0.63 H new ATOM 0 HA GLN A 666 153.587 -5.992 -14.512 1.00 0.61 H new ATOM 0 HB2 GLN A 666 153.066 -6.706 -16.757 1.00 0.61 H new ATOM 0 HB3 GLN A 666 154.686 -6.370 -17.334 1.00 0.61 H new ATOM 0 HG2 GLN A 666 155.583 -8.235 -15.904 1.00 0.62 H new ATOM 0 HG3 GLN A 666 153.962 -8.572 -15.328 1.00 0.62 H new ATOM 0 HE21 GLN A 666 155.450 -8.028 -18.542 1.00 0.87 H new ATOM 0 HE22 GLN A 666 154.642 -9.416 -19.277 1.00 0.87 H new ATOM 1893 N GLY A 667 155.560 -7.179 -13.667 1.00 0.38 N ATOM 1894 CA GLY A 667 156.759 -7.648 -12.903 1.00 0.43 C ATOM 1895 C GLY A 667 157.669 -6.461 -12.552 1.00 0.41 C ATOM 1896 O GLY A 667 158.877 -6.580 -12.538 1.00 0.57 O ATOM 0 H GLY A 667 154.687 -7.648 -13.424 1.00 0.38 H new ATOM 0 HA2 GLY A 667 156.442 -8.153 -11.991 1.00 0.43 H new ATOM 0 HA3 GLY A 667 157.313 -8.377 -13.495 1.00 0.43 H new ATOM 1900 N THR A 668 157.098 -5.318 -12.271 1.00 0.34 N ATOM 1901 CA THR A 668 157.936 -4.130 -11.920 1.00 0.30 C ATOM 1902 C THR A 668 157.634 -3.689 -10.488 1.00 0.26 C ATOM 1903 O THR A 668 156.594 -4.001 -9.940 1.00 0.32 O ATOM 1904 CB THR A 668 157.542 -3.036 -12.923 1.00 0.35 C ATOM 1905 OG1 THR A 668 156.162 -3.160 -13.241 1.00 0.46 O ATOM 1906 CG2 THR A 668 158.377 -3.185 -14.198 1.00 0.43 C ATOM 0 H THR A 668 156.091 -5.155 -12.269 1.00 0.34 H new ATOM 0 HA THR A 668 159.003 -4.347 -11.972 1.00 0.30 H new ATOM 0 HB THR A 668 157.727 -2.056 -12.483 1.00 0.35 H new ATOM 0 HG1 THR A 668 156.065 -3.617 -14.102 1.00 0.46 H new ATOM 0 HG21 THR A 668 158.097 -2.408 -14.909 1.00 0.43 H new ATOM 0 HG22 THR A 668 159.435 -3.089 -13.953 1.00 0.43 H new ATOM 0 HG23 THR A 668 158.195 -4.165 -14.640 1.00 0.43 H new ATOM 1914 N LYS A 669 158.540 -2.976 -9.876 1.00 0.22 N ATOM 1915 CA LYS A 669 158.323 -2.522 -8.472 1.00 0.21 C ATOM 1916 C LYS A 669 158.464 -1.001 -8.384 1.00 0.20 C ATOM 1917 O LYS A 669 159.038 -0.371 -9.247 1.00 0.24 O ATOM 1918 CB LYS A 669 159.418 -3.237 -7.664 1.00 0.24 C ATOM 1919 CG LYS A 669 159.735 -2.465 -6.376 1.00 0.29 C ATOM 1920 CD LYS A 669 160.319 -3.425 -5.337 1.00 0.53 C ATOM 1921 CE LYS A 669 161.314 -2.675 -4.445 1.00 0.54 C ATOM 1922 NZ LYS A 669 162.544 -3.517 -4.440 1.00 1.10 N ATOM 0 H LYS A 669 159.426 -2.687 -10.290 1.00 0.22 H new ATOM 0 HA LYS A 669 157.327 -2.757 -8.096 1.00 0.21 H new ATOM 0 HB2 LYS A 669 159.093 -4.248 -7.417 1.00 0.24 H new ATOM 0 HB3 LYS A 669 160.320 -3.331 -8.269 1.00 0.24 H new ATOM 0 HG2 LYS A 669 160.443 -1.663 -6.585 1.00 0.29 H new ATOM 0 HG3 LYS A 669 158.830 -1.998 -5.987 1.00 0.29 H new ATOM 0 HD2 LYS A 669 159.520 -3.850 -4.730 1.00 0.53 H new ATOM 0 HD3 LYS A 669 160.817 -4.257 -5.835 1.00 0.53 H new ATOM 0 HE2 LYS A 669 161.520 -1.679 -4.836 1.00 0.54 H new ATOM 0 HE3 LYS A 669 160.920 -2.547 -3.437 1.00 0.54 H new ATOM 0 HZ1 LYS A 669 162.741 -3.838 -3.471 1.00 1.10 H new ATOM 0 HZ2 LYS A 669 162.402 -4.343 -5.056 1.00 1.10 H new ATOM 0 HZ3 LYS A 669 163.349 -2.958 -4.790 1.00 1.10 H new ATOM 1936 N PHE A 670 157.929 -0.408 -7.351 1.00 0.20 N ATOM 1937 CA PHE A 670 158.019 1.070 -7.210 1.00 0.21 C ATOM 1938 C PHE A 670 157.758 1.491 -5.759 1.00 0.20 C ATOM 1939 O PHE A 670 157.180 0.756 -4.988 1.00 0.22 O ATOM 1940 CB PHE A 670 156.930 1.611 -8.137 1.00 0.23 C ATOM 1941 CG PHE A 670 157.102 3.099 -8.298 1.00 0.24 C ATOM 1942 CD1 PHE A 670 158.383 3.641 -8.435 1.00 0.65 C ATOM 1943 CD2 PHE A 670 155.983 3.936 -8.301 1.00 0.50 C ATOM 1944 CE1 PHE A 670 158.548 5.017 -8.576 1.00 0.71 C ATOM 1945 CE2 PHE A 670 156.151 5.318 -8.444 1.00 0.53 C ATOM 1946 CZ PHE A 670 157.435 5.855 -8.581 1.00 0.40 C ATOM 0 H PHE A 670 157.433 -0.886 -6.599 1.00 0.20 H new ATOM 0 HA PHE A 670 159.007 1.453 -7.467 1.00 0.21 H new ATOM 0 HB2 PHE A 670 156.987 1.120 -9.109 1.00 0.23 H new ATOM 0 HB3 PHE A 670 155.945 1.390 -7.726 1.00 0.23 H new ATOM 0 HD1 PHE A 670 159.246 2.992 -8.432 1.00 0.65 H new ATOM 0 HD2 PHE A 670 154.993 3.518 -8.193 1.00 0.50 H new ATOM 0 HE1 PHE A 670 159.539 5.434 -8.681 1.00 0.71 H new ATOM 0 HE2 PHE A 670 155.290 5.969 -8.449 1.00 0.53 H new ATOM 0 HZ PHE A 670 157.564 6.922 -8.691 1.00 0.40 H new ATOM 1956 N LEU A 671 158.185 2.670 -5.383 1.00 0.23 N ATOM 1957 CA LEU A 671 157.967 3.141 -3.980 1.00 0.23 C ATOM 1958 C LEU A 671 156.615 3.852 -3.844 1.00 0.23 C ATOM 1959 O LEU A 671 156.123 4.454 -4.778 1.00 0.27 O ATOM 1960 CB LEU A 671 159.111 4.123 -3.710 1.00 0.26 C ATOM 1961 CG LEU A 671 159.883 3.680 -2.467 1.00 0.56 C ATOM 1962 CD1 LEU A 671 161.178 4.483 -2.354 1.00 1.21 C ATOM 1963 CD2 LEU A 671 159.029 3.912 -1.223 1.00 1.18 C ATOM 0 H LEU A 671 158.676 3.328 -5.988 1.00 0.23 H new ATOM 0 HA LEU A 671 157.955 2.311 -3.273 1.00 0.23 H new ATOM 0 HB2 LEU A 671 159.779 4.164 -4.570 1.00 0.26 H new ATOM 0 HB3 LEU A 671 158.715 5.128 -3.566 1.00 0.26 H new ATOM 0 HG LEU A 671 160.121 2.619 -2.550 1.00 0.56 H new ATOM 0 HD11 LEU A 671 161.727 4.166 -1.467 1.00 1.21 H new ATOM 0 HD12 LEU A 671 161.790 4.313 -3.240 1.00 1.21 H new ATOM 0 HD13 LEU A 671 160.942 5.544 -2.274 1.00 1.21 H new ATOM 0 HD21 LEU A 671 159.581 3.595 -0.338 1.00 1.18 H new ATOM 0 HD22 LEU A 671 158.787 4.972 -1.140 1.00 1.18 H new ATOM 0 HD23 LEU A 671 158.108 3.335 -1.301 1.00 1.18 H new ATOM 1975 N LEU A 672 156.018 3.794 -2.681 1.00 0.22 N ATOM 1976 CA LEU A 672 154.703 4.475 -2.475 1.00 0.22 C ATOM 1977 C LEU A 672 154.832 5.566 -1.403 1.00 0.24 C ATOM 1978 O LEU A 672 155.763 5.575 -0.621 1.00 0.31 O ATOM 1979 CB LEU A 672 153.743 3.376 -2.011 1.00 0.21 C ATOM 1980 CG LEU A 672 152.887 2.905 -3.185 1.00 0.27 C ATOM 1981 CD1 LEU A 672 152.238 1.562 -2.836 1.00 0.40 C ATOM 1982 CD2 LEU A 672 151.793 3.939 -3.460 1.00 0.38 C ATOM 0 H LEU A 672 156.384 3.304 -1.864 1.00 0.22 H new ATOM 0 HA LEU A 672 154.349 4.962 -3.384 1.00 0.22 H new ATOM 0 HB2 LEU A 672 154.307 2.538 -1.601 1.00 0.21 H new ATOM 0 HB3 LEU A 672 153.104 3.752 -1.212 1.00 0.21 H new ATOM 0 HG LEU A 672 153.513 2.789 -4.070 1.00 0.27 H new ATOM 0 HD11 LEU A 672 151.627 1.225 -3.673 1.00 0.40 H new ATOM 0 HD12 LEU A 672 153.015 0.824 -2.633 1.00 0.40 H new ATOM 0 HD13 LEU A 672 151.610 1.680 -1.953 1.00 0.40 H new ATOM 0 HD21 LEU A 672 151.180 3.606 -4.298 1.00 0.38 H new ATOM 0 HD22 LEU A 672 151.167 4.051 -2.574 1.00 0.38 H new ATOM 0 HD23 LEU A 672 152.251 4.897 -3.704 1.00 0.38 H new ATOM 1994 N GLN A 673 153.904 6.486 -1.368 1.00 0.25 N ATOM 1995 CA GLN A 673 153.961 7.587 -0.355 1.00 0.27 C ATOM 1996 C GLN A 673 152.551 7.896 0.161 1.00 0.28 C ATOM 1997 O GLN A 673 151.595 7.230 -0.186 1.00 0.37 O ATOM 1998 CB GLN A 673 154.520 8.794 -1.112 1.00 0.30 C ATOM 1999 CG GLN A 673 155.774 8.384 -1.888 1.00 0.38 C ATOM 2000 CD GLN A 673 156.376 9.610 -2.574 1.00 0.77 C ATOM 2001 OE1 GLN A 673 155.743 10.643 -2.668 1.00 1.26 O ATOM 2002 NE2 GLN A 673 157.581 9.538 -3.066 1.00 0.88 N ATOM 0 H GLN A 673 153.104 6.524 -2.000 1.00 0.25 H new ATOM 0 HA GLN A 673 154.573 7.324 0.507 1.00 0.27 H new ATOM 0 HB2 GLN A 673 153.768 9.185 -1.798 1.00 0.30 H new ATOM 0 HB3 GLN A 673 154.760 9.595 -0.412 1.00 0.30 H new ATOM 0 HG2 GLN A 673 156.503 7.939 -1.211 1.00 0.38 H new ATOM 0 HG3 GLN A 673 155.523 7.626 -2.630 1.00 0.38 H new ATOM 0 HE21 GLN A 673 158.113 8.671 -2.987 1.00 0.88 H new ATOM 0 HE22 GLN A 673 157.992 10.348 -3.529 1.00 0.88 H new ATOM 2011 N ASP A 674 152.412 8.905 0.982 1.00 0.27 N ATOM 2012 CA ASP A 674 151.060 9.261 1.510 1.00 0.28 C ATOM 2013 C ASP A 674 150.275 10.039 0.447 1.00 0.27 C ATOM 2014 O ASP A 674 150.821 10.874 -0.247 1.00 0.28 O ATOM 2015 CB ASP A 674 151.329 10.135 2.743 1.00 0.33 C ATOM 2016 CG ASP A 674 151.626 11.576 2.315 1.00 0.56 C ATOM 2017 OD1 ASP A 674 152.382 11.750 1.374 1.00 1.37 O ATOM 2018 OD2 ASP A 674 151.084 12.479 2.931 1.00 1.17 O ATOM 0 H ASP A 674 153.175 9.497 1.310 1.00 0.27 H new ATOM 0 HA ASP A 674 150.466 8.384 1.765 1.00 0.28 H new ATOM 0 HB2 ASP A 674 150.465 10.116 3.407 1.00 0.33 H new ATOM 0 HB3 ASP A 674 152.172 9.734 3.305 1.00 0.33 H new ATOM 2023 N GLY A 675 149.005 9.773 0.304 1.00 0.29 N ATOM 2024 CA GLY A 675 148.211 10.507 -0.725 1.00 0.32 C ATOM 2025 C GLY A 675 148.805 10.207 -2.098 1.00 0.34 C ATOM 2026 O GLY A 675 148.946 11.077 -2.936 1.00 0.38 O ATOM 0 H GLY A 675 148.486 9.085 0.850 1.00 0.29 H new ATOM 0 HA2 GLY A 675 147.166 10.199 -0.689 1.00 0.32 H new ATOM 0 HA3 GLY A 675 148.234 11.579 -0.528 1.00 0.32 H new ATOM 2030 N ASP A 676 149.159 8.975 -2.322 1.00 0.34 N ATOM 2031 CA ASP A 676 149.755 8.581 -3.624 1.00 0.37 C ATOM 2032 C ASP A 676 148.680 7.974 -4.518 1.00 0.35 C ATOM 2033 O ASP A 676 148.559 6.770 -4.633 1.00 0.34 O ATOM 2034 CB ASP A 676 150.817 7.537 -3.269 1.00 0.44 C ATOM 2035 CG ASP A 676 152.209 8.063 -3.637 1.00 0.72 C ATOM 2036 OD1 ASP A 676 152.377 9.271 -3.671 1.00 1.31 O ATOM 2037 OD2 ASP A 676 153.084 7.246 -3.873 1.00 1.46 O ATOM 0 H ASP A 676 149.059 8.215 -1.649 1.00 0.34 H new ATOM 0 HA ASP A 676 150.183 9.425 -4.165 1.00 0.37 H new ATOM 0 HB2 ASP A 676 150.774 7.310 -2.204 1.00 0.44 H new ATOM 0 HB3 ASP A 676 150.618 6.607 -3.801 1.00 0.44 H new ATOM 2042 N GLU A 677 147.893 8.800 -5.149 1.00 0.36 N ATOM 2043 CA GLU A 677 146.820 8.269 -6.039 1.00 0.36 C ATOM 2044 C GLU A 677 147.430 7.302 -7.060 1.00 0.36 C ATOM 2045 O GLU A 677 148.238 7.682 -7.885 1.00 0.60 O ATOM 2046 CB GLU A 677 146.212 9.494 -6.738 1.00 0.40 C ATOM 2047 CG GLU A 677 144.858 9.835 -6.111 1.00 0.98 C ATOM 2048 CD GLU A 677 144.561 11.322 -6.313 1.00 1.56 C ATOM 2049 OE1 GLU A 677 145.503 12.097 -6.343 1.00 2.28 O ATOM 2050 OE2 GLU A 677 143.395 11.661 -6.436 1.00 1.99 O ATOM 0 H GLU A 677 147.945 9.817 -5.088 1.00 0.36 H new ATOM 0 HA GLU A 677 146.059 7.718 -5.486 1.00 0.36 H new ATOM 0 HB2 GLU A 677 146.887 10.345 -6.651 1.00 0.40 H new ATOM 0 HB3 GLU A 677 146.089 9.292 -7.802 1.00 0.40 H new ATOM 0 HG2 GLU A 677 144.073 9.232 -6.566 1.00 0.98 H new ATOM 0 HG3 GLU A 677 144.868 9.597 -5.047 1.00 0.98 H new ATOM 2057 N ILE A 678 147.057 6.052 -6.997 1.00 0.47 N ATOM 2058 CA ILE A 678 147.620 5.048 -7.948 1.00 0.47 C ATOM 2059 C ILE A 678 146.581 4.674 -9.003 1.00 0.45 C ATOM 2060 O ILE A 678 145.456 5.134 -8.969 1.00 0.57 O ATOM 2061 CB ILE A 678 147.970 3.830 -7.088 1.00 0.57 C ATOM 2062 CG1 ILE A 678 146.705 3.301 -6.401 1.00 0.76 C ATOM 2063 CG2 ILE A 678 149.002 4.226 -6.028 1.00 1.19 C ATOM 2064 CD1 ILE A 678 146.997 1.957 -5.731 1.00 0.77 C ATOM 0 H ILE A 678 146.384 5.681 -6.326 1.00 0.47 H new ATOM 0 HA ILE A 678 148.489 5.434 -8.480 1.00 0.47 H new ATOM 0 HB ILE A 678 148.388 3.050 -7.725 1.00 0.57 H new ATOM 0 HG12 ILE A 678 146.357 4.019 -5.658 1.00 0.76 H new ATOM 0 HG13 ILE A 678 145.905 3.186 -7.132 1.00 0.76 H new ATOM 0 HG21 ILE A 678 149.249 3.357 -5.418 1.00 1.19 H new ATOM 0 HG22 ILE A 678 149.904 4.593 -6.518 1.00 1.19 H new ATOM 0 HG23 ILE A 678 148.589 5.010 -5.393 1.00 1.19 H new ATOM 0 HD11 ILE A 678 146.093 1.589 -5.246 1.00 0.77 H new ATOM 0 HD12 ILE A 678 147.323 1.239 -6.483 1.00 0.77 H new ATOM 0 HD13 ILE A 678 147.783 2.085 -4.986 1.00 0.77 H new ATOM 2076 N LYS A 679 146.949 3.844 -9.943 1.00 0.39 N ATOM 2077 CA LYS A 679 145.980 3.447 -11.001 1.00 0.41 C ATOM 2078 C LYS A 679 146.197 1.990 -11.425 1.00 0.45 C ATOM 2079 O LYS A 679 146.790 1.715 -12.442 1.00 0.88 O ATOM 2080 CB LYS A 679 146.262 4.394 -12.167 1.00 0.42 C ATOM 2081 CG LYS A 679 145.355 5.620 -12.068 1.00 0.65 C ATOM 2082 CD LYS A 679 146.023 6.801 -12.775 1.00 1.03 C ATOM 2083 CE LYS A 679 144.958 7.816 -13.193 1.00 1.33 C ATOM 2084 NZ LYS A 679 145.706 9.082 -13.425 1.00 1.59 N ATOM 0 H LYS A 679 147.876 3.426 -10.022 1.00 0.39 H new ATOM 0 HA LYS A 679 144.949 3.515 -10.654 1.00 0.41 H new ATOM 0 HB2 LYS A 679 147.308 4.702 -12.153 1.00 0.42 H new ATOM 0 HB3 LYS A 679 146.093 3.881 -13.114 1.00 0.42 H new ATOM 0 HG2 LYS A 679 144.387 5.409 -12.523 1.00 0.65 H new ATOM 0 HG3 LYS A 679 145.169 5.865 -11.022 1.00 0.65 H new ATOM 0 HD2 LYS A 679 146.749 7.272 -12.112 1.00 1.03 H new ATOM 0 HD3 LYS A 679 146.571 6.452 -13.650 1.00 1.03 H new ATOM 0 HE2 LYS A 679 144.437 7.494 -14.095 1.00 1.33 H new ATOM 0 HE3 LYS A 679 144.203 7.940 -12.416 1.00 1.33 H new ATOM 0 HZ1 LYS A 679 145.043 9.829 -13.716 1.00 1.59 H new ATOM 0 HZ2 LYS A 679 146.186 9.367 -12.548 1.00 1.59 H new ATOM 0 HZ3 LYS A 679 146.412 8.936 -14.174 1.00 1.59 H new ATOM 2098 N ILE A 680 145.708 1.060 -10.647 1.00 0.36 N ATOM 2099 CA ILE A 680 145.850 -0.394 -10.979 1.00 0.36 C ATOM 2100 C ILE A 680 145.784 -0.608 -12.503 1.00 0.36 C ATOM 2101 O ILE A 680 146.521 -1.397 -13.062 1.00 0.41 O ATOM 2102 CB ILE A 680 144.643 -1.071 -10.305 1.00 0.42 C ATOM 2103 CG1 ILE A 680 144.540 -0.672 -8.820 1.00 0.84 C ATOM 2104 CG2 ILE A 680 144.778 -2.593 -10.410 1.00 0.62 C ATOM 2105 CD1 ILE A 680 145.779 -1.141 -8.056 1.00 0.56 C ATOM 0 H ILE A 680 145.207 1.248 -9.779 1.00 0.36 H new ATOM 0 HA ILE A 680 146.803 -0.799 -10.638 1.00 0.36 H new ATOM 0 HB ILE A 680 143.740 -0.740 -10.818 1.00 0.42 H new ATOM 0 HG12 ILE A 680 144.439 0.410 -8.733 1.00 0.84 H new ATOM 0 HG13 ILE A 680 143.645 -1.112 -8.380 1.00 0.84 H new ATOM 0 HG21 ILE A 680 143.922 -3.068 -9.932 1.00 0.62 H new ATOM 0 HG22 ILE A 680 144.814 -2.883 -11.460 1.00 0.62 H new ATOM 0 HG23 ILE A 680 145.694 -2.912 -9.913 1.00 0.62 H new ATOM 0 HD11 ILE A 680 145.692 -0.852 -7.009 1.00 0.56 H new ATOM 0 HD12 ILE A 680 145.862 -2.226 -8.127 1.00 0.56 H new ATOM 0 HD13 ILE A 680 146.668 -0.680 -8.487 1.00 0.56 H new ATOM 2117 N ILE A 681 144.909 0.101 -13.174 1.00 0.36 N ATOM 2118 CA ILE A 681 144.792 -0.045 -14.659 1.00 0.42 C ATOM 2119 C ILE A 681 144.541 1.327 -15.302 1.00 0.42 C ATOM 2120 O ILE A 681 144.144 2.267 -14.642 1.00 0.54 O ATOM 2121 CB ILE A 681 143.584 -0.983 -14.879 1.00 0.55 C ATOM 2122 CG1 ILE A 681 144.008 -2.193 -15.717 1.00 1.12 C ATOM 2123 CG2 ILE A 681 142.456 -0.249 -15.608 1.00 1.15 C ATOM 2124 CD1 ILE A 681 144.581 -1.728 -17.058 1.00 1.69 C ATOM 0 H ILE A 681 144.269 0.776 -12.756 1.00 0.36 H new ATOM 0 HA ILE A 681 145.699 -0.447 -15.110 1.00 0.42 H new ATOM 0 HB ILE A 681 143.228 -1.312 -13.903 1.00 0.55 H new ATOM 0 HG12 ILE A 681 144.753 -2.776 -15.177 1.00 1.12 H new ATOM 0 HG13 ILE A 681 143.152 -2.847 -15.885 1.00 1.12 H new ATOM 0 HG21 ILE A 681 141.615 -0.927 -15.753 1.00 1.15 H new ATOM 0 HG22 ILE A 681 142.134 0.606 -15.013 1.00 1.15 H new ATOM 0 HG23 ILE A 681 142.814 0.097 -16.577 1.00 1.15 H new ATOM 0 HD11 ILE A 681 144.880 -2.596 -17.647 1.00 1.69 H new ATOM 0 HD12 ILE A 681 143.823 -1.164 -17.602 1.00 1.69 H new ATOM 0 HD13 ILE A 681 145.449 -1.093 -16.882 1.00 1.69 H new ATOM 2136 N TRP A 682 144.745 1.439 -16.588 1.00 0.50 N ATOM 2137 CA TRP A 682 144.491 2.739 -17.276 1.00 0.55 C ATOM 2138 C TRP A 682 144.375 2.528 -18.788 1.00 0.62 C ATOM 2139 O TRP A 682 145.362 2.480 -19.497 1.00 1.36 O ATOM 2140 CB TRP A 682 145.691 3.634 -16.952 1.00 0.60 C ATOM 2141 CG TRP A 682 145.485 4.987 -17.573 1.00 0.67 C ATOM 2142 CD1 TRP A 682 144.319 5.432 -18.102 1.00 0.79 C ATOM 2143 CD2 TRP A 682 146.445 6.071 -17.740 1.00 0.83 C ATOM 2144 NE1 TRP A 682 144.503 6.714 -18.583 1.00 0.87 N ATOM 2145 CE2 TRP A 682 145.796 7.154 -18.381 1.00 0.94 C ATOM 2146 CE3 TRP A 682 147.802 6.220 -17.400 1.00 1.05 C ATOM 2147 CZ2 TRP A 682 146.469 8.340 -18.676 1.00 1.20 C ATOM 2148 CZ3 TRP A 682 148.482 7.413 -17.695 1.00 1.37 C ATOM 2149 CH2 TRP A 682 147.816 8.471 -18.330 1.00 1.43 C ATOM 0 H TRP A 682 145.076 0.687 -17.192 1.00 0.50 H new ATOM 0 HA TRP A 682 143.557 3.190 -16.941 1.00 0.55 H new ATOM 0 HB2 TRP A 682 145.806 3.731 -15.872 1.00 0.60 H new ATOM 0 HB3 TRP A 682 146.608 3.183 -17.331 1.00 0.60 H new ATOM 0 HD1 TRP A 682 143.395 4.874 -18.141 1.00 0.79 H new ATOM 0 HE1 TRP A 682 143.773 7.267 -19.032 1.00 0.87 H new ATOM 0 HE3 TRP A 682 148.324 5.412 -16.909 1.00 1.05 H new ATOM 0 HZ2 TRP A 682 145.952 9.151 -19.168 1.00 1.20 H new ATOM 0 HZ3 TRP A 682 149.524 7.516 -17.431 1.00 1.37 H new ATOM 0 HH2 TRP A 682 148.344 9.387 -18.551 1.00 1.43 H new ATOM 2160 N ASP A 683 143.173 2.414 -19.286 1.00 1.13 N ATOM 2161 CA ASP A 683 142.981 2.219 -20.752 1.00 1.19 C ATOM 2162 C ASP A 683 142.082 3.330 -21.303 1.00 1.12 C ATOM 2163 O ASP A 683 140.896 3.149 -21.495 1.00 1.27 O ATOM 2164 CB ASP A 683 142.306 0.851 -20.891 1.00 1.41 C ATOM 2165 CG ASP A 683 143.207 -0.087 -21.698 1.00 1.92 C ATOM 2166 OD1 ASP A 683 143.735 0.353 -22.706 1.00 2.30 O ATOM 2167 OD2 ASP A 683 143.354 -1.229 -21.294 1.00 2.53 O ATOM 0 H ASP A 683 142.313 2.448 -18.739 1.00 1.13 H new ATOM 0 HA ASP A 683 143.918 2.258 -21.307 1.00 1.19 H new ATOM 0 HB2 ASP A 683 142.113 0.428 -19.905 1.00 1.41 H new ATOM 0 HB3 ASP A 683 141.341 0.959 -21.386 1.00 1.41 H new ATOM 2172 N LYS A 684 142.644 4.484 -21.547 1.00 1.13 N ATOM 2173 CA LYS A 684 141.836 5.627 -22.074 1.00 1.24 C ATOM 2174 C LYS A 684 141.093 5.236 -23.358 1.00 1.32 C ATOM 2175 O LYS A 684 140.090 5.826 -23.709 1.00 1.82 O ATOM 2176 CB LYS A 684 142.854 6.721 -22.373 1.00 1.48 C ATOM 2177 CG LYS A 684 142.399 8.041 -21.746 1.00 1.77 C ATOM 2178 CD LYS A 684 142.787 9.201 -22.666 1.00 2.12 C ATOM 2179 CE LYS A 684 141.734 10.307 -22.567 1.00 2.85 C ATOM 2180 NZ LYS A 684 142.498 11.580 -22.697 1.00 3.48 N ATOM 0 H LYS A 684 143.633 4.687 -21.404 1.00 1.13 H new ATOM 0 HA LYS A 684 141.076 5.943 -21.359 1.00 1.24 H new ATOM 0 HB2 LYS A 684 143.830 6.439 -21.979 1.00 1.48 H new ATOM 0 HB3 LYS A 684 142.967 6.840 -23.451 1.00 1.48 H new ATOM 0 HG2 LYS A 684 141.320 8.030 -21.591 1.00 1.77 H new ATOM 0 HG3 LYS A 684 142.860 8.169 -20.767 1.00 1.77 H new ATOM 0 HD2 LYS A 684 143.766 9.590 -22.385 1.00 2.12 H new ATOM 0 HD3 LYS A 684 142.867 8.851 -23.695 1.00 2.12 H new ATOM 0 HE2 LYS A 684 140.987 10.213 -23.355 1.00 2.85 H new ATOM 0 HE3 LYS A 684 141.202 10.261 -21.617 1.00 2.85 H new ATOM 0 HZ1 LYS A 684 141.843 12.386 -22.639 1.00 3.48 H new ATOM 0 HZ2 LYS A 684 143.197 11.646 -21.929 1.00 3.48 H new ATOM 0 HZ3 LYS A 684 142.989 11.598 -23.614 1.00 3.48 H new ATOM 2194 N ASN A 685 141.592 4.262 -24.070 1.00 1.30 N ATOM 2195 CA ASN A 685 140.936 3.847 -25.348 1.00 1.50 C ATOM 2196 C ASN A 685 139.489 3.388 -25.121 1.00 1.43 C ATOM 2197 O ASN A 685 138.626 3.629 -25.943 1.00 1.93 O ATOM 2198 CB ASN A 685 141.786 2.686 -25.873 1.00 1.85 C ATOM 2199 CG ASN A 685 142.212 2.971 -27.316 1.00 2.49 C ATOM 2200 OD1 ASN A 685 141.619 3.794 -27.987 1.00 3.05 O ATOM 2201 ND2 ASN A 685 143.222 2.321 -27.826 1.00 3.02 N ATOM 0 H ASN A 685 142.428 3.733 -23.823 1.00 1.30 H new ATOM 0 HA ASN A 685 140.882 4.678 -26.051 1.00 1.50 H new ATOM 0 HB2 ASN A 685 142.666 2.553 -25.243 1.00 1.85 H new ATOM 0 HB3 ASN A 685 141.218 1.757 -25.828 1.00 1.85 H new ATOM 0 HD21 ASN A 685 143.513 2.503 -28.786 1.00 3.02 H new ATOM 0 HD22 ASN A 685 143.720 1.631 -27.264 1.00 3.02 H new ATOM 2208 N ASN A 686 139.212 2.715 -24.036 1.00 1.30 N ATOM 2209 CA ASN A 686 137.814 2.237 -23.803 1.00 1.36 C ATOM 2210 C ASN A 686 137.271 2.737 -22.460 1.00 1.18 C ATOM 2211 O ASN A 686 136.475 2.074 -21.824 1.00 1.25 O ATOM 2212 CB ASN A 686 137.917 0.710 -23.802 1.00 1.68 C ATOM 2213 CG ASN A 686 136.798 0.119 -24.664 1.00 1.95 C ATOM 2214 OD1 ASN A 686 136.287 0.773 -25.551 1.00 2.12 O ATOM 2215 ND2 ASN A 686 136.396 -1.102 -24.440 1.00 2.72 N ATOM 0 H ASN A 686 139.884 2.476 -23.307 1.00 1.30 H new ATOM 0 HA ASN A 686 137.129 2.609 -24.565 1.00 1.36 H new ATOM 0 HB2 ASN A 686 138.889 0.401 -24.187 1.00 1.68 H new ATOM 0 HB3 ASN A 686 137.843 0.331 -22.783 1.00 1.68 H new ATOM 0 HD21 ASN A 686 135.653 -1.507 -25.010 1.00 2.72 H new ATOM 0 HD22 ASN A 686 136.825 -1.652 -23.695 1.00 2.72 H new ATOM 2222 N LYS A 687 137.684 3.901 -22.027 1.00 1.07 N ATOM 2223 CA LYS A 687 137.180 4.445 -20.726 1.00 1.02 C ATOM 2224 C LYS A 687 137.264 3.378 -19.627 1.00 0.90 C ATOM 2225 O LYS A 687 136.272 2.795 -19.236 1.00 1.16 O ATOM 2226 CB LYS A 687 135.722 4.824 -20.995 1.00 1.25 C ATOM 2227 CG LYS A 687 135.395 6.141 -20.289 1.00 1.74 C ATOM 2228 CD LYS A 687 134.180 6.794 -20.957 1.00 1.98 C ATOM 2229 CE LYS A 687 134.615 8.072 -21.679 1.00 2.84 C ATOM 2230 NZ LYS A 687 133.518 8.365 -22.643 1.00 3.39 N ATOM 0 H LYS A 687 138.349 4.500 -22.517 1.00 1.07 H new ATOM 0 HA LYS A 687 137.769 5.295 -20.382 1.00 1.02 H new ATOM 0 HB2 LYS A 687 135.553 4.923 -22.067 1.00 1.25 H new ATOM 0 HB3 LYS A 687 135.059 4.035 -20.640 1.00 1.25 H new ATOM 0 HG2 LYS A 687 135.189 5.959 -19.234 1.00 1.74 H new ATOM 0 HG3 LYS A 687 136.252 6.812 -20.335 1.00 1.74 H new ATOM 0 HD2 LYS A 687 133.726 6.101 -21.665 1.00 1.98 H new ATOM 0 HD3 LYS A 687 133.423 7.027 -20.209 1.00 1.98 H new ATOM 0 HE2 LYS A 687 134.753 8.894 -20.977 1.00 2.84 H new ATOM 0 HE3 LYS A 687 135.565 7.930 -22.194 1.00 2.84 H new ATOM 0 HZ1 LYS A 687 133.745 9.229 -23.176 1.00 3.39 H new ATOM 0 HZ2 LYS A 687 133.414 7.568 -23.303 1.00 3.39 H new ATOM 0 HZ3 LYS A 687 132.627 8.503 -22.124 1.00 3.39 H new ATOM 2244 N PHE A 688 138.442 3.117 -19.134 1.00 0.67 N ATOM 2245 CA PHE A 688 138.598 2.085 -18.069 1.00 0.62 C ATOM 2246 C PHE A 688 139.833 2.397 -17.220 1.00 0.52 C ATOM 2247 O PHE A 688 140.921 1.927 -17.491 1.00 0.55 O ATOM 2248 CB PHE A 688 138.780 0.772 -18.831 1.00 0.71 C ATOM 2249 CG PHE A 688 138.576 -0.389 -17.892 1.00 0.67 C ATOM 2250 CD1 PHE A 688 139.622 -0.804 -17.066 1.00 1.03 C ATOM 2251 CD2 PHE A 688 137.345 -1.051 -17.848 1.00 0.93 C ATOM 2252 CE1 PHE A 688 139.442 -1.883 -16.192 1.00 1.21 C ATOM 2253 CE2 PHE A 688 137.163 -2.130 -16.974 1.00 1.08 C ATOM 2254 CZ PHE A 688 138.211 -2.545 -16.146 1.00 1.08 C ATOM 0 H PHE A 688 139.307 3.575 -19.423 1.00 0.67 H new ATOM 0 HA PHE A 688 137.748 2.047 -17.388 1.00 0.62 H new ATOM 0 HB2 PHE A 688 138.068 0.716 -19.655 1.00 0.71 H new ATOM 0 HB3 PHE A 688 139.778 0.729 -19.268 1.00 0.71 H new ATOM 0 HD1 PHE A 688 140.572 -0.292 -17.101 1.00 1.03 H new ATOM 0 HD2 PHE A 688 136.536 -0.731 -18.487 1.00 0.93 H new ATOM 0 HE1 PHE A 688 140.253 -2.204 -15.554 1.00 1.21 H new ATOM 0 HE2 PHE A 688 136.213 -2.642 -16.939 1.00 1.08 H new ATOM 0 HZ PHE A 688 138.070 -3.376 -15.471 1.00 1.08 H new ATOM 2264 N VAL A 689 139.668 3.190 -16.196 1.00 0.53 N ATOM 2265 CA VAL A 689 140.826 3.542 -15.326 1.00 0.51 C ATOM 2266 C VAL A 689 140.497 3.222 -13.865 1.00 0.49 C ATOM 2267 O VAL A 689 139.363 3.327 -13.441 1.00 0.66 O ATOM 2268 CB VAL A 689 141.019 5.051 -15.515 1.00 0.63 C ATOM 2269 CG1 VAL A 689 141.249 5.362 -16.996 1.00 1.03 C ATOM 2270 CG2 VAL A 689 139.772 5.798 -15.030 1.00 0.86 C ATOM 0 H VAL A 689 138.779 3.610 -15.924 1.00 0.53 H new ATOM 0 HA VAL A 689 141.725 2.982 -15.583 1.00 0.51 H new ATOM 0 HB VAL A 689 141.885 5.373 -14.936 1.00 0.63 H new ATOM 0 HG11 VAL A 689 141.386 6.436 -17.125 1.00 1.03 H new ATOM 0 HG12 VAL A 689 142.140 4.838 -17.344 1.00 1.03 H new ATOM 0 HG13 VAL A 689 140.386 5.034 -17.575 1.00 1.03 H new ATOM 0 HG21 VAL A 689 139.914 6.870 -15.166 1.00 0.86 H new ATOM 0 HG22 VAL A 689 138.905 5.471 -15.605 1.00 0.86 H new ATOM 0 HG23 VAL A 689 139.608 5.585 -13.974 1.00 0.86 H new ATOM 2280 N ILE A 690 141.477 2.838 -13.092 1.00 0.38 N ATOM 2281 CA ILE A 690 141.205 2.520 -11.660 1.00 0.36 C ATOM 2282 C ILE A 690 141.821 3.593 -10.762 1.00 0.33 C ATOM 2283 O ILE A 690 142.701 3.323 -9.968 1.00 0.41 O ATOM 2284 CB ILE A 690 141.859 1.163 -11.398 1.00 0.41 C ATOM 2285 CG1 ILE A 690 141.383 0.158 -12.460 1.00 0.56 C ATOM 2286 CG2 ILE A 690 141.466 0.685 -9.996 1.00 0.45 C ATOM 2287 CD1 ILE A 690 141.257 -1.247 -11.863 1.00 1.39 C ATOM 0 H ILE A 690 142.448 2.731 -13.387 1.00 0.38 H new ATOM 0 HA ILE A 690 140.136 2.491 -11.448 1.00 0.36 H new ATOM 0 HB ILE A 690 142.944 1.248 -11.456 1.00 0.41 H new ATOM 0 HG12 ILE A 690 140.420 0.475 -12.861 1.00 0.56 H new ATOM 0 HG13 ILE A 690 142.086 0.142 -13.293 1.00 0.56 H new ATOM 0 HG21 ILE A 690 141.927 -0.283 -9.799 1.00 0.45 H new ATOM 0 HG22 ILE A 690 141.809 1.408 -9.256 1.00 0.45 H new ATOM 0 HG23 ILE A 690 140.382 0.589 -9.935 1.00 0.45 H new ATOM 0 HD11 ILE A 690 140.919 -1.941 -12.633 1.00 1.39 H new ATOM 0 HD12 ILE A 690 142.227 -1.570 -11.484 1.00 1.39 H new ATOM 0 HD13 ILE A 690 140.535 -1.232 -11.046 1.00 1.39 H new ATOM 2299 N GLY A 691 141.360 4.808 -10.880 1.00 0.29 N ATOM 2300 CA GLY A 691 141.909 5.904 -10.033 1.00 0.29 C ATOM 2301 C GLY A 691 141.834 5.499 -8.559 1.00 0.28 C ATOM 2302 O GLY A 691 140.805 5.073 -8.071 1.00 0.28 O ATOM 0 H GLY A 691 140.625 5.089 -11.528 1.00 0.29 H new ATOM 0 HA2 GLY A 691 142.942 6.110 -10.312 1.00 0.29 H new ATOM 0 HA3 GLY A 691 141.345 6.822 -10.198 1.00 0.29 H new ATOM 2306 N PHE A 692 142.918 5.631 -7.851 1.00 0.33 N ATOM 2307 CA PHE A 692 142.927 5.258 -6.408 1.00 0.34 C ATOM 2308 C PHE A 692 143.636 6.353 -5.616 1.00 0.37 C ATOM 2309 O PHE A 692 144.331 7.169 -6.180 1.00 0.54 O ATOM 2310 CB PHE A 692 143.721 3.953 -6.345 1.00 0.36 C ATOM 2311 CG PHE A 692 142.794 2.793 -6.071 1.00 0.36 C ATOM 2312 CD1 PHE A 692 142.194 2.655 -4.814 1.00 0.48 C ATOM 2313 CD2 PHE A 692 142.541 1.850 -7.074 1.00 0.44 C ATOM 2314 CE1 PHE A 692 141.340 1.575 -4.561 1.00 0.49 C ATOM 2315 CE2 PHE A 692 141.688 0.770 -6.821 1.00 0.47 C ATOM 2316 CZ PHE A 692 141.087 0.632 -5.565 1.00 0.40 C ATOM 0 H PHE A 692 143.805 5.983 -8.211 1.00 0.33 H new ATOM 0 HA PHE A 692 141.927 5.141 -5.991 1.00 0.34 H new ATOM 0 HB2 PHE A 692 144.248 3.793 -7.286 1.00 0.36 H new ATOM 0 HB3 PHE A 692 144.478 4.016 -5.563 1.00 0.36 H new ATOM 0 HD1 PHE A 692 142.390 3.382 -4.039 1.00 0.48 H new ATOM 0 HD2 PHE A 692 143.004 1.956 -8.044 1.00 0.44 H new ATOM 0 HE1 PHE A 692 140.876 1.469 -3.591 1.00 0.49 H new ATOM 0 HE2 PHE A 692 141.493 0.043 -7.595 1.00 0.47 H new ATOM 0 HZ PHE A 692 140.428 -0.201 -5.370 1.00 0.40 H new ATOM 2326 N LYS A 693 143.472 6.382 -4.321 1.00 0.29 N ATOM 2327 CA LYS A 693 144.151 7.438 -3.514 1.00 0.32 C ATOM 2328 C LYS A 693 144.754 6.839 -2.244 1.00 0.32 C ATOM 2329 O LYS A 693 144.069 6.622 -1.263 1.00 0.42 O ATOM 2330 CB LYS A 693 143.056 8.444 -3.162 1.00 0.33 C ATOM 2331 CG LYS A 693 143.682 9.646 -2.452 1.00 0.55 C ATOM 2332 CD LYS A 693 142.617 10.721 -2.224 1.00 0.93 C ATOM 2333 CE LYS A 693 143.265 11.952 -1.585 1.00 1.08 C ATOM 2334 NZ LYS A 693 142.517 13.114 -2.141 1.00 1.52 N ATOM 0 H LYS A 693 142.901 5.725 -3.789 1.00 0.29 H new ATOM 0 HA LYS A 693 144.970 7.903 -4.063 1.00 0.32 H new ATOM 0 HB2 LYS A 693 142.541 8.769 -4.066 1.00 0.33 H new ATOM 0 HB3 LYS A 693 142.309 7.976 -2.520 1.00 0.33 H new ATOM 0 HG2 LYS A 693 144.109 9.336 -1.499 1.00 0.55 H new ATOM 0 HG3 LYS A 693 144.498 10.050 -3.051 1.00 0.55 H new ATOM 0 HD2 LYS A 693 142.150 10.992 -3.171 1.00 0.93 H new ATOM 0 HD3 LYS A 693 141.828 10.335 -1.578 1.00 0.93 H new ATOM 0 HE2 LYS A 693 143.190 11.918 -0.498 1.00 1.08 H new ATOM 0 HE3 LYS A 693 144.325 12.012 -1.830 1.00 1.08 H new ATOM 0 HZ1 LYS A 693 142.904 13.996 -1.749 1.00 1.52 H new ATOM 0 HZ2 LYS A 693 142.612 13.125 -3.177 1.00 1.52 H new ATOM 0 HZ3 LYS A 693 141.512 13.034 -1.886 1.00 1.52 H new ATOM 2348 N VAL A 694 146.034 6.580 -2.251 1.00 0.28 N ATOM 2349 CA VAL A 694 146.683 6.007 -1.038 1.00 0.29 C ATOM 2350 C VAL A 694 146.596 7.012 0.111 1.00 0.30 C ATOM 2351 O VAL A 694 147.127 8.101 0.030 1.00 0.33 O ATOM 2352 CB VAL A 694 148.141 5.757 -1.451 1.00 0.32 C ATOM 2353 CG1 VAL A 694 149.086 6.011 -0.269 1.00 0.35 C ATOM 2354 CG2 VAL A 694 148.289 4.307 -1.906 1.00 0.35 C ATOM 0 H VAL A 694 146.657 6.740 -3.043 1.00 0.28 H new ATOM 0 HA VAL A 694 146.206 5.090 -0.692 1.00 0.29 H new ATOM 0 HB VAL A 694 148.400 6.437 -2.262 1.00 0.32 H new ATOM 0 HG11 VAL A 694 150.115 5.829 -0.580 1.00 0.35 H new ATOM 0 HG12 VAL A 694 148.985 7.044 0.062 1.00 0.35 H new ATOM 0 HG13 VAL A 694 148.831 5.340 0.551 1.00 0.35 H new ATOM 0 HG21 VAL A 694 149.322 4.122 -2.201 1.00 0.35 H new ATOM 0 HG22 VAL A 694 148.020 3.640 -1.087 1.00 0.35 H new ATOM 0 HG23 VAL A 694 147.631 4.123 -2.755 1.00 0.35 H new ATOM 2364 N GLU A 695 145.937 6.656 1.178 1.00 0.29 N ATOM 2365 CA GLU A 695 145.826 7.596 2.328 1.00 0.33 C ATOM 2366 C GLU A 695 146.420 6.960 3.586 1.00 0.32 C ATOM 2367 O GLU A 695 145.790 6.157 4.246 1.00 0.42 O ATOM 2368 CB GLU A 695 144.325 7.841 2.501 1.00 0.37 C ATOM 2369 CG GLU A 695 144.064 9.343 2.630 1.00 0.79 C ATOM 2370 CD GLU A 695 142.661 9.573 3.194 1.00 1.43 C ATOM 2371 OE1 GLU A 695 141.712 9.450 2.437 1.00 2.21 O ATOM 2372 OE2 GLU A 695 142.559 9.868 4.373 1.00 1.96 O ATOM 0 H GLU A 695 145.471 5.757 1.304 1.00 0.29 H new ATOM 0 HA GLU A 695 146.369 8.526 2.157 1.00 0.33 H new ATOM 0 HB2 GLU A 695 143.779 7.438 1.648 1.00 0.37 H new ATOM 0 HB3 GLU A 695 143.961 7.320 3.387 1.00 0.37 H new ATOM 0 HG2 GLU A 695 144.809 9.797 3.284 1.00 0.79 H new ATOM 0 HG3 GLU A 695 144.159 9.824 1.656 1.00 0.79 H new ATOM 2379 N ILE A 696 147.629 7.319 3.921 1.00 0.33 N ATOM 2380 CA ILE A 696 148.274 6.748 5.140 1.00 0.33 C ATOM 2381 C ILE A 696 147.681 7.415 6.386 1.00 0.41 C ATOM 2382 O ILE A 696 147.827 8.604 6.593 1.00 0.55 O ATOM 2383 CB ILE A 696 149.764 7.066 4.985 1.00 0.45 C ATOM 2384 CG1 ILE A 696 150.264 6.516 3.643 1.00 0.62 C ATOM 2385 CG2 ILE A 696 150.551 6.410 6.121 1.00 0.45 C ATOM 2386 CD1 ILE A 696 151.745 6.860 3.461 1.00 0.69 C ATOM 0 H ILE A 696 148.201 7.985 3.402 1.00 0.33 H new ATOM 0 HA ILE A 696 148.113 5.676 5.250 1.00 0.33 H new ATOM 0 HB ILE A 696 149.908 8.146 5.019 1.00 0.45 H new ATOM 0 HG12 ILE A 696 150.125 5.435 3.608 1.00 0.62 H new ATOM 0 HG13 ILE A 696 149.680 6.939 2.826 1.00 0.62 H new ATOM 0 HG21 ILE A 696 151.611 6.638 6.008 1.00 0.45 H new ATOM 0 HG22 ILE A 696 150.197 6.794 7.078 1.00 0.45 H new ATOM 0 HG23 ILE A 696 150.407 5.330 6.087 1.00 0.45 H new ATOM 0 HD11 ILE A 696 152.095 6.467 2.506 1.00 0.69 H new ATOM 0 HD12 ILE A 696 151.872 7.943 3.476 1.00 0.69 H new ATOM 0 HD13 ILE A 696 152.324 6.416 4.271 1.00 0.69 H new ATOM 2398 N ASN A 697 146.985 6.662 7.197 1.00 0.48 N ATOM 2399 CA ASN A 697 146.346 7.252 8.411 1.00 0.63 C ATOM 2400 C ASN A 697 147.179 6.990 9.670 1.00 0.58 C ATOM 2401 O ASN A 697 147.098 7.722 10.638 1.00 0.65 O ATOM 2402 CB ASN A 697 144.994 6.551 8.515 1.00 0.80 C ATOM 2403 CG ASN A 697 144.055 7.125 7.457 1.00 0.74 C ATOM 2404 OD1 ASN A 697 144.343 6.963 6.196 1.00 0.99 O flip ATOM 2405 ND2 ASN A 697 143.050 7.725 7.779 1.00 0.79 N flip ATOM 0 H ASN A 697 146.831 5.662 7.071 1.00 0.48 H new ATOM 0 HA ASN A 697 146.255 8.335 8.330 1.00 0.63 H new ATOM 0 HB2 ASN A 697 145.114 5.477 8.369 1.00 0.80 H new ATOM 0 HB3 ASN A 697 144.572 6.692 9.510 1.00 0.80 H new ATOM 0 HD21 ASN A 697 142.826 7.851 8.766 1.00 0.79 H new ATOM 0 HD22 ASN A 697 142.430 8.103 7.063 1.00 0.79 H new ATOM 2412 N ASP A 698 147.964 5.948 9.676 1.00 0.52 N ATOM 2413 CA ASP A 698 148.781 5.636 10.886 1.00 0.51 C ATOM 2414 C ASP A 698 150.115 6.380 10.851 1.00 0.47 C ATOM 2415 O ASP A 698 150.332 7.314 11.599 1.00 0.53 O ATOM 2416 CB ASP A 698 149.002 4.130 10.849 1.00 0.53 C ATOM 2417 CG ASP A 698 148.673 3.527 12.219 1.00 0.63 C ATOM 2418 OD1 ASP A 698 148.771 4.245 13.201 1.00 1.38 O ATOM 2419 OD2 ASP A 698 148.330 2.357 12.264 1.00 1.07 O ATOM 0 H ASP A 698 148.076 5.299 8.897 1.00 0.52 H new ATOM 0 HA ASP A 698 148.278 5.949 11.801 1.00 0.51 H new ATOM 0 HB2 ASP A 698 148.373 3.679 10.082 1.00 0.53 H new ATOM 0 HB3 ASP A 698 150.036 3.911 10.583 1.00 0.53 H new ATOM 2424 N THR A 699 151.015 5.975 9.995 1.00 0.44 N ATOM 2425 CA THR A 699 152.341 6.652 9.915 1.00 0.49 C ATOM 2426 C THR A 699 153.050 6.585 11.274 1.00 0.59 C ATOM 2427 O THR A 699 153.962 7.343 11.542 1.00 0.74 O ATOM 2428 CB THR A 699 152.066 8.114 9.518 1.00 0.58 C ATOM 2429 OG1 THR A 699 151.988 8.921 10.685 1.00 0.81 O ATOM 2430 CG2 THR A 699 150.756 8.242 8.728 1.00 0.49 C ATOM 0 H THR A 699 150.887 5.200 9.344 1.00 0.44 H new ATOM 0 HA THR A 699 152.990 6.168 9.185 1.00 0.49 H new ATOM 0 HB THR A 699 152.886 8.449 8.883 1.00 0.58 H new ATOM 0 HG1 THR A 699 151.252 8.607 11.251 1.00 0.81 H new ATOM 0 HG21 THR A 699 150.591 9.286 8.463 1.00 0.49 H new ATOM 0 HG22 THR A 699 150.819 7.643 7.820 1.00 0.49 H new ATOM 0 HG23 THR A 699 149.926 7.888 9.340 1.00 0.49 H new ATOM 2438 N THR A 700 152.636 5.686 12.135 1.00 0.59 N ATOM 2439 CA THR A 700 153.288 5.573 13.480 1.00 0.76 C ATOM 2440 C THR A 700 154.812 5.515 13.328 1.00 0.85 C ATOM 2441 O THR A 700 155.507 6.481 13.573 1.00 1.64 O ATOM 2442 CB THR A 700 152.761 4.261 14.082 1.00 0.78 C ATOM 2443 OG1 THR A 700 151.977 3.568 13.118 1.00 1.33 O ATOM 2444 CG2 THR A 700 151.905 4.567 15.312 1.00 1.68 C ATOM 0 H THR A 700 151.876 5.027 11.966 1.00 0.59 H new ATOM 0 HA THR A 700 153.061 6.430 14.115 1.00 0.76 H new ATOM 0 HB THR A 700 153.606 3.637 14.374 1.00 0.78 H new ATOM 0 HG1 THR A 700 151.645 2.732 13.506 1.00 1.33 H new ATOM 0 HG21 THR A 700 151.532 3.635 15.737 1.00 1.68 H new ATOM 0 HG22 THR A 700 152.509 5.089 16.055 1.00 1.68 H new ATOM 0 HG23 THR A 700 151.063 5.196 15.022 1.00 1.68 H new ATOM 2452 N GLY A 701 155.332 4.391 12.915 1.00 1.10 N ATOM 2453 CA GLY A 701 156.806 4.269 12.733 1.00 1.21 C ATOM 2454 C GLY A 701 157.142 4.321 11.240 1.00 1.05 C ATOM 2455 O GLY A 701 158.265 4.084 10.840 1.00 1.10 O ATOM 0 H GLY A 701 154.798 3.550 12.695 1.00 1.10 H new ATOM 0 HA2 GLY A 701 157.316 5.075 13.260 1.00 1.21 H new ATOM 0 HA3 GLY A 701 157.160 3.333 13.164 1.00 1.21 H new ATOM 2459 N LEU A 702 156.176 4.627 10.410 1.00 0.96 N ATOM 2460 CA LEU A 702 156.438 4.689 8.943 1.00 0.91 C ATOM 2461 C LEU A 702 157.539 5.709 8.645 1.00 0.90 C ATOM 2462 O LEU A 702 157.393 6.888 8.901 1.00 1.19 O ATOM 2463 CB LEU A 702 155.107 5.131 8.321 1.00 0.91 C ATOM 2464 CG LEU A 702 155.025 4.685 6.854 1.00 0.81 C ATOM 2465 CD1 LEU A 702 156.172 5.307 6.056 1.00 1.11 C ATOM 2466 CD2 LEU A 702 155.114 3.159 6.768 1.00 1.27 C ATOM 0 H LEU A 702 155.217 4.836 10.687 1.00 0.96 H new ATOM 0 HA LEU A 702 156.777 3.734 8.542 1.00 0.91 H new ATOM 0 HB2 LEU A 702 154.276 4.705 8.884 1.00 0.91 H new ATOM 0 HB3 LEU A 702 155.012 6.215 8.384 1.00 0.91 H new ATOM 0 HG LEU A 702 154.074 5.016 6.437 1.00 0.81 H new ATOM 0 HD11 LEU A 702 156.108 4.986 5.016 1.00 1.11 H new ATOM 0 HD12 LEU A 702 156.102 6.394 6.106 1.00 1.11 H new ATOM 0 HD13 LEU A 702 157.125 4.985 6.477 1.00 1.11 H new ATOM 0 HD21 LEU A 702 155.055 2.849 5.725 1.00 1.27 H new ATOM 0 HD22 LEU A 702 156.061 2.825 7.193 1.00 1.27 H new ATOM 0 HD23 LEU A 702 154.290 2.714 7.325 1.00 1.27 H new ATOM 2478 N PHE A 703 158.640 5.258 8.102 1.00 0.85 N ATOM 2479 CA PHE A 703 159.762 6.188 7.776 1.00 0.90 C ATOM 2480 C PHE A 703 159.230 7.406 7.008 1.00 0.93 C ATOM 2481 O PHE A 703 158.268 7.310 6.273 1.00 1.58 O ATOM 2482 CB PHE A 703 160.712 5.358 6.903 1.00 1.09 C ATOM 2483 CG PHE A 703 161.544 6.272 6.038 1.00 0.76 C ATOM 2484 CD1 PHE A 703 162.737 6.808 6.533 1.00 1.09 C ATOM 2485 CD2 PHE A 703 161.117 6.587 4.744 1.00 0.90 C ATOM 2486 CE1 PHE A 703 163.506 7.661 5.732 1.00 1.40 C ATOM 2487 CE2 PHE A 703 161.884 7.438 3.942 1.00 1.24 C ATOM 2488 CZ PHE A 703 163.079 7.976 4.436 1.00 1.44 C ATOM 0 H PHE A 703 158.811 4.280 7.869 1.00 0.85 H new ATOM 0 HA PHE A 703 160.262 6.575 8.664 1.00 0.90 H new ATOM 0 HB2 PHE A 703 161.361 4.749 7.533 1.00 1.09 H new ATOM 0 HB3 PHE A 703 160.140 4.672 6.278 1.00 1.09 H new ATOM 0 HD1 PHE A 703 163.065 6.564 7.533 1.00 1.09 H new ATOM 0 HD2 PHE A 703 160.195 6.173 4.364 1.00 0.90 H new ATOM 0 HE1 PHE A 703 164.428 8.076 6.113 1.00 1.40 H new ATOM 0 HE2 PHE A 703 161.555 7.680 2.942 1.00 1.24 H new ATOM 0 HZ PHE A 703 163.671 8.634 3.817 1.00 1.44 H new ATOM 2498 N ASN A 704 159.845 8.550 7.181 1.00 0.67 N ATOM 2499 CA ASN A 704 159.372 9.779 6.466 1.00 0.70 C ATOM 2500 C ASN A 704 157.903 10.068 6.814 1.00 0.61 C ATOM 2501 O ASN A 704 157.263 10.893 6.191 1.00 0.63 O ATOM 2502 CB ASN A 704 159.538 9.452 4.971 1.00 0.91 C ATOM 2503 CG ASN A 704 158.832 10.493 4.107 1.00 0.96 C ATOM 2504 OD1 ASN A 704 158.833 11.667 4.419 1.00 1.88 O ATOM 2505 ND2 ASN A 704 158.227 10.103 3.023 1.00 0.79 N ATOM 0 H ASN A 704 160.654 8.687 7.786 1.00 0.67 H new ATOM 0 HA ASN A 704 159.933 10.670 6.748 1.00 0.70 H new ATOM 0 HB2 ASN A 704 160.597 9.420 4.717 1.00 0.91 H new ATOM 0 HB3 ASN A 704 159.130 8.463 4.763 1.00 0.91 H new ATOM 0 HD21 ASN A 704 157.751 10.784 2.431 1.00 0.79 H new ATOM 0 HD22 ASN A 704 158.229 9.116 2.765 1.00 0.79 H new ATOM 2512 N GLU A 705 157.362 9.398 7.805 1.00 0.66 N ATOM 2513 CA GLU A 705 155.936 9.634 8.186 1.00 0.74 C ATOM 2514 C GLU A 705 155.043 9.638 6.939 1.00 0.73 C ATOM 2515 O GLU A 705 153.998 10.259 6.915 1.00 0.93 O ATOM 2516 CB GLU A 705 155.929 11.008 8.860 1.00 0.97 C ATOM 2517 CG GLU A 705 154.587 11.225 9.565 1.00 1.20 C ATOM 2518 CD GLU A 705 154.825 11.844 10.944 1.00 1.63 C ATOM 2519 OE1 GLU A 705 155.064 13.039 11.003 1.00 2.27 O ATOM 2520 OE2 GLU A 705 154.762 11.112 11.919 1.00 1.91 O ATOM 0 H GLU A 705 157.848 8.698 8.365 1.00 0.66 H new ATOM 0 HA GLU A 705 155.551 8.855 8.844 1.00 0.74 H new ATOM 0 HB2 GLU A 705 156.745 11.076 9.580 1.00 0.97 H new ATOM 0 HB3 GLU A 705 156.093 11.790 8.118 1.00 0.97 H new ATOM 0 HG2 GLU A 705 153.952 11.878 8.967 1.00 1.20 H new ATOM 0 HG3 GLU A 705 154.061 10.276 9.667 1.00 1.20 H new ATOM 2628 N GLN A 713 162.452 12.149 -7.508 1.00 1.06 N ATOM 2629 CA GLN A 713 163.586 11.190 -7.349 1.00 1.05 C ATOM 2630 C GLN A 713 163.076 9.775 -7.052 1.00 0.84 C ATOM 2631 O GLN A 713 163.645 9.063 -6.248 1.00 1.06 O ATOM 2632 CB GLN A 713 164.384 11.724 -6.154 1.00 1.33 C ATOM 2633 CG GLN A 713 165.763 12.206 -6.617 1.00 1.81 C ATOM 2634 CD GLN A 713 166.854 11.394 -5.915 1.00 2.28 C ATOM 2635 OE1 GLN A 713 166.654 10.901 -4.823 1.00 3.06 O ATOM 2636 NE2 GLN A 713 168.010 11.235 -6.500 1.00 2.44 N ATOM 0 HA GLN A 713 164.185 11.119 -8.257 1.00 1.05 H new ATOM 0 HB2 GLN A 713 163.843 12.544 -5.682 1.00 1.33 H new ATOM 0 HB3 GLN A 713 164.496 10.942 -5.403 1.00 1.33 H new ATOM 0 HG2 GLN A 713 165.853 12.097 -7.698 1.00 1.81 H new ATOM 0 HG3 GLN A 713 165.883 13.266 -6.392 1.00 1.81 H new ATOM 0 HE21 GLN A 713 168.179 11.649 -7.417 1.00 2.44 H new ATOM 0 HE22 GLN A 713 168.745 10.697 -6.040 1.00 2.44 H new ATOM 2645 N ARG A 714 162.020 9.355 -7.695 1.00 0.63 N ATOM 2646 CA ARG A 714 161.501 7.983 -7.442 1.00 0.76 C ATOM 2647 C ARG A 714 160.871 7.412 -8.716 1.00 0.56 C ATOM 2648 O ARG A 714 159.736 7.691 -9.047 1.00 0.69 O ATOM 2649 CB ARG A 714 160.470 8.136 -6.321 1.00 1.17 C ATOM 2650 CG ARG A 714 159.350 9.091 -6.747 1.00 0.64 C ATOM 2651 CD ARG A 714 158.003 8.412 -6.501 1.00 0.58 C ATOM 2652 NE ARG A 714 157.018 9.172 -7.319 1.00 0.81 N ATOM 2653 CZ ARG A 714 156.248 10.059 -6.749 1.00 1.29 C ATOM 2654 NH1 ARG A 714 155.434 9.697 -5.794 1.00 1.70 N ATOM 2655 NH2 ARG A 714 156.291 11.305 -7.132 1.00 1.72 N ATOM 0 H ARG A 714 161.498 9.900 -8.381 1.00 0.63 H new ATOM 0 HA ARG A 714 162.290 7.288 -7.153 1.00 0.76 H new ATOM 0 HB2 ARG A 714 160.050 7.162 -6.071 1.00 1.17 H new ATOM 0 HB3 ARG A 714 160.956 8.514 -5.422 1.00 1.17 H new ATOM 0 HG2 ARG A 714 159.412 10.021 -6.182 1.00 0.64 H new ATOM 0 HG3 ARG A 714 159.455 9.350 -7.801 1.00 0.64 H new ATOM 0 HD2 ARG A 714 158.033 7.363 -6.797 1.00 0.58 H new ATOM 0 HD3 ARG A 714 157.738 8.438 -5.444 1.00 0.58 H new ATOM 0 HE ARG A 714 156.945 9.000 -8.322 1.00 0.81 H new ATOM 0 HH11 ARG A 714 155.401 8.723 -5.494 1.00 1.70 H new ATOM 0 HH12 ARG A 714 154.832 10.389 -5.348 1.00 1.70 H new ATOM 0 HH21 ARG A 714 156.927 11.588 -7.878 1.00 1.72 H new ATOM 0 HH22 ARG A 714 155.689 11.997 -6.686 1.00 1.72 H new ATOM 2669 N VAL A 715 161.611 6.609 -9.433 1.00 0.54 N ATOM 2670 CA VAL A 715 161.071 6.011 -10.691 1.00 0.60 C ATOM 2671 C VAL A 715 160.785 4.521 -10.485 1.00 0.49 C ATOM 2672 O VAL A 715 161.248 3.917 -9.537 1.00 0.48 O ATOM 2673 CB VAL A 715 162.173 6.212 -11.735 1.00 0.95 C ATOM 2674 CG1 VAL A 715 162.418 7.709 -11.934 1.00 1.08 C ATOM 2675 CG2 VAL A 715 163.468 5.545 -11.258 1.00 1.13 C ATOM 0 H VAL A 715 162.568 6.340 -9.202 1.00 0.54 H new ATOM 0 HA VAL A 715 160.134 6.474 -11.000 1.00 0.60 H new ATOM 0 HB VAL A 715 161.861 5.762 -12.678 1.00 0.95 H new ATOM 0 HG11 VAL A 715 163.202 7.854 -12.677 1.00 1.08 H new ATOM 0 HG12 VAL A 715 161.500 8.185 -12.278 1.00 1.08 H new ATOM 0 HG13 VAL A 715 162.727 8.156 -10.989 1.00 1.08 H new ATOM 0 HG21 VAL A 715 164.249 5.691 -12.004 1.00 1.13 H new ATOM 0 HG22 VAL A 715 163.781 5.991 -10.314 1.00 1.13 H new ATOM 0 HG23 VAL A 715 163.297 4.478 -11.116 1.00 1.13 H new ATOM 2685 N VAL A 716 160.012 3.930 -11.356 1.00 0.61 N ATOM 2686 CA VAL A 716 159.679 2.483 -11.199 1.00 0.51 C ATOM 2687 C VAL A 716 160.954 1.628 -11.148 1.00 0.47 C ATOM 2688 O VAL A 716 161.842 1.763 -11.967 1.00 0.69 O ATOM 2689 CB VAL A 716 158.822 2.129 -12.428 1.00 0.68 C ATOM 2690 CG1 VAL A 716 159.164 0.726 -12.943 1.00 1.28 C ATOM 2691 CG2 VAL A 716 157.342 2.169 -12.042 1.00 1.16 C ATOM 0 H VAL A 716 159.597 4.385 -12.169 1.00 0.61 H new ATOM 0 HA VAL A 716 159.148 2.288 -10.268 1.00 0.51 H new ATOM 0 HB VAL A 716 159.029 2.855 -13.215 1.00 0.68 H new ATOM 0 HG11 VAL A 716 158.547 0.497 -13.812 1.00 1.28 H new ATOM 0 HG12 VAL A 716 160.216 0.689 -13.226 1.00 1.28 H new ATOM 0 HG13 VAL A 716 158.973 -0.006 -12.159 1.00 1.28 H new ATOM 0 HG21 VAL A 716 156.733 1.919 -12.910 1.00 1.16 H new ATOM 0 HG22 VAL A 716 157.154 1.448 -11.247 1.00 1.16 H new ATOM 0 HG23 VAL A 716 157.084 3.169 -11.694 1.00 1.16 H new ATOM 2701 N LEU A 717 161.023 0.727 -10.205 1.00 0.36 N ATOM 2702 CA LEU A 717 162.205 -0.176 -10.102 1.00 0.44 C ATOM 2703 C LEU A 717 161.777 -1.569 -10.567 1.00 0.40 C ATOM 2704 O LEU A 717 160.816 -2.115 -10.068 1.00 0.75 O ATOM 2705 CB LEU A 717 162.577 -0.215 -8.612 1.00 0.63 C ATOM 2706 CG LEU A 717 162.758 1.205 -8.063 1.00 0.63 C ATOM 2707 CD1 LEU A 717 161.522 1.605 -7.255 1.00 1.18 C ATOM 2708 CD2 LEU A 717 163.985 1.246 -7.147 1.00 1.21 C ATOM 0 H LEU A 717 160.305 0.577 -9.496 1.00 0.36 H new ATOM 0 HA LEU A 717 163.047 0.159 -10.707 1.00 0.44 H new ATOM 0 HB2 LEU A 717 161.798 -0.731 -8.051 1.00 0.63 H new ATOM 0 HB3 LEU A 717 163.497 -0.783 -8.476 1.00 0.63 H new ATOM 0 HG LEU A 717 162.893 1.896 -8.895 1.00 0.63 H new ATOM 0 HD11 LEU A 717 161.653 2.615 -6.866 1.00 1.18 H new ATOM 0 HD12 LEU A 717 160.642 1.575 -7.897 1.00 1.18 H new ATOM 0 HD13 LEU A 717 161.389 0.911 -6.425 1.00 1.18 H new ATOM 0 HD21 LEU A 717 164.114 2.255 -6.757 1.00 1.21 H new ATOM 0 HD22 LEU A 717 163.844 0.552 -6.319 1.00 1.21 H new ATOM 0 HD23 LEU A 717 164.871 0.960 -7.713 1.00 1.21 H new ATOM 2720 N LYS A 718 162.460 -2.146 -11.522 1.00 0.49 N ATOM 2721 CA LYS A 718 162.057 -3.503 -12.012 1.00 0.54 C ATOM 2722 C LYS A 718 161.857 -4.467 -10.837 1.00 0.80 C ATOM 2723 O LYS A 718 162.133 -4.137 -9.700 1.00 1.18 O ATOM 2724 CB LYS A 718 163.209 -3.971 -12.900 1.00 0.94 C ATOM 2725 CG LYS A 718 162.677 -4.966 -13.934 1.00 1.19 C ATOM 2726 CD LYS A 718 163.448 -4.807 -15.246 1.00 1.78 C ATOM 2727 CE LYS A 718 164.617 -5.794 -15.273 1.00 2.41 C ATOM 2728 NZ LYS A 718 164.881 -6.046 -16.719 1.00 2.82 N ATOM 0 H LYS A 718 163.275 -1.741 -11.983 1.00 0.49 H new ATOM 0 HA LYS A 718 161.112 -3.472 -12.555 1.00 0.54 H new ATOM 0 HB2 LYS A 718 163.667 -3.118 -13.401 1.00 0.94 H new ATOM 0 HB3 LYS A 718 163.984 -4.439 -12.293 1.00 0.94 H new ATOM 0 HG2 LYS A 718 162.782 -5.985 -13.560 1.00 1.19 H new ATOM 0 HG3 LYS A 718 161.614 -4.796 -14.103 1.00 1.19 H new ATOM 0 HD2 LYS A 718 162.786 -4.987 -16.093 1.00 1.78 H new ATOM 0 HD3 LYS A 718 163.818 -3.786 -15.342 1.00 1.78 H new ATOM 0 HE2 LYS A 718 165.495 -5.378 -14.779 1.00 2.41 H new ATOM 0 HE3 LYS A 718 164.365 -6.718 -14.752 1.00 2.41 H new ATOM 0 HZ1 LYS A 718 165.671 -6.715 -16.816 1.00 2.82 H new ATOM 0 HZ2 LYS A 718 164.030 -6.448 -17.162 1.00 2.82 H new ATOM 0 HZ3 LYS A 718 165.125 -5.151 -17.188 1.00 2.82 H new ATOM 2742 N GLN A 719 161.371 -5.653 -11.104 1.00 0.88 N ATOM 2743 CA GLN A 719 161.143 -6.640 -10.002 1.00 1.29 C ATOM 2744 C GLN A 719 162.394 -6.775 -9.133 1.00 0.76 C ATOM 2745 O GLN A 719 163.421 -6.184 -9.405 1.00 0.85 O ATOM 2746 CB GLN A 719 160.842 -7.970 -10.699 1.00 2.02 C ATOM 2747 CG GLN A 719 161.977 -8.315 -11.669 1.00 2.26 C ATOM 2748 CD GLN A 719 162.352 -9.790 -11.516 1.00 3.02 C ATOM 2749 OE1 GLN A 719 163.492 -10.114 -11.251 1.00 3.35 O ATOM 2750 NE2 GLN A 719 161.434 -10.704 -11.673 1.00 3.80 N ATOM 0 H GLN A 719 161.122 -5.981 -12.037 1.00 0.88 H new ATOM 0 HA GLN A 719 160.330 -6.327 -9.347 1.00 1.29 H new ATOM 0 HB2 GLN A 719 160.730 -8.762 -9.959 1.00 2.02 H new ATOM 0 HB3 GLN A 719 159.897 -7.903 -11.239 1.00 2.02 H new ATOM 0 HG2 GLN A 719 161.667 -8.113 -12.694 1.00 2.26 H new ATOM 0 HG3 GLN A 719 162.844 -7.686 -11.468 1.00 2.26 H new ATOM 0 HE21 GLN A 719 160.476 -10.432 -11.896 1.00 3.80 H new ATOM 0 HE22 GLN A 719 161.674 -11.690 -11.573 1.00 3.80 H new ATOM 2759 N THR A 720 162.313 -7.553 -8.090 1.00 0.76 N ATOM 2760 CA THR A 720 163.493 -7.731 -7.199 1.00 0.79 C ATOM 2761 C THR A 720 163.315 -8.960 -6.325 1.00 0.71 C ATOM 2762 O THR A 720 162.209 -9.347 -6.002 1.00 1.17 O ATOM 2763 CB THR A 720 163.544 -6.482 -6.325 1.00 1.40 C ATOM 2764 OG1 THR A 720 162.249 -5.900 -6.242 1.00 1.65 O ATOM 2765 CG2 THR A 720 164.525 -5.471 -6.920 1.00 2.19 C ATOM 0 H THR A 720 161.480 -8.074 -7.816 1.00 0.76 H new ATOM 0 HA THR A 720 164.409 -7.866 -7.774 1.00 0.79 H new ATOM 0 HB THR A 720 163.879 -6.760 -5.326 1.00 1.40 H new ATOM 0 HG1 THR A 720 161.835 -6.145 -5.388 1.00 1.65 H new ATOM 0 HG21 THR A 720 164.557 -4.581 -6.291 1.00 2.19 H new ATOM 0 HG22 THR A 720 165.519 -5.915 -6.971 1.00 2.19 H new ATOM 0 HG23 THR A 720 164.199 -5.195 -7.923 1.00 2.19 H new ATOM 2773 N ALA A 721 164.401 -9.576 -5.935 1.00 0.91 N ATOM 2774 CA ALA A 721 164.298 -10.788 -5.075 1.00 0.78 C ATOM 2775 C ALA A 721 163.251 -11.741 -5.647 1.00 0.64 C ATOM 2776 O ALA A 721 162.634 -12.489 -4.926 1.00 0.66 O ATOM 2777 CB ALA A 721 163.861 -10.249 -3.716 1.00 0.69 C ATOM 0 H ALA A 721 165.351 -9.292 -6.175 1.00 0.91 H new ATOM 0 HA ALA A 721 165.231 -11.349 -5.012 1.00 0.78 H new ATOM 0 HB1 ALA A 721 163.758 -11.075 -3.013 1.00 0.69 H new ATOM 0 HB2 ALA A 721 164.609 -9.548 -3.345 1.00 0.69 H new ATOM 0 HB3 ALA A 721 162.903 -9.738 -3.818 1.00 0.69 H new ATOM 2783 N GLU A 722 163.018 -11.698 -6.942 1.00 0.55 N ATOM 2784 CA GLU A 722 161.969 -12.581 -7.538 1.00 0.49 C ATOM 2785 C GLU A 722 160.660 -12.282 -6.816 1.00 0.44 C ATOM 2786 O GLU A 722 160.069 -13.145 -6.167 1.00 0.44 O ATOM 2787 CB GLU A 722 162.435 -14.019 -7.273 1.00 0.61 C ATOM 2788 CG GLU A 722 162.765 -14.707 -8.601 1.00 1.02 C ATOM 2789 CD GLU A 722 163.878 -13.937 -9.318 1.00 0.98 C ATOM 2790 OE1 GLU A 722 164.800 -13.505 -8.646 1.00 1.48 O ATOM 2791 OE2 GLU A 722 163.788 -13.792 -10.526 1.00 1.71 O ATOM 0 H GLU A 722 163.506 -11.094 -7.603 1.00 0.55 H new ATOM 0 HA GLU A 722 161.819 -12.427 -8.607 1.00 0.49 H new ATOM 0 HB2 GLU A 722 163.313 -14.014 -6.627 1.00 0.61 H new ATOM 0 HB3 GLU A 722 161.656 -14.573 -6.749 1.00 0.61 H new ATOM 0 HG2 GLU A 722 163.079 -15.735 -8.421 1.00 1.02 H new ATOM 0 HG3 GLU A 722 161.876 -14.750 -9.230 1.00 1.02 H new ATOM 2798 N GLU A 723 160.233 -11.034 -6.830 1.00 0.50 N ATOM 2799 CA GLU A 723 159.016 -10.697 -6.047 1.00 0.56 C ATOM 2800 C GLU A 723 159.311 -11.186 -4.648 1.00 0.61 C ATOM 2801 O GLU A 723 158.470 -11.707 -3.950 1.00 0.64 O ATOM 2802 CB GLU A 723 157.878 -11.482 -6.696 1.00 0.51 C ATOM 2803 CG GLU A 723 157.112 -10.567 -7.650 1.00 0.81 C ATOM 2804 CD GLU A 723 157.952 -10.315 -8.903 1.00 0.79 C ATOM 2805 OE1 GLU A 723 157.891 -11.131 -9.807 1.00 1.39 O ATOM 2806 OE2 GLU A 723 158.643 -9.309 -8.936 1.00 1.53 O ATOM 0 H GLU A 723 160.667 -10.262 -7.337 1.00 0.50 H new ATOM 0 HA GLU A 723 158.749 -9.641 -6.021 1.00 0.56 H new ATOM 0 HB2 GLU A 723 158.276 -12.340 -7.238 1.00 0.51 H new ATOM 0 HB3 GLU A 723 157.207 -11.872 -5.930 1.00 0.51 H new ATOM 0 HG2 GLU A 723 156.161 -11.024 -7.923 1.00 0.81 H new ATOM 0 HG3 GLU A 723 156.882 -9.622 -7.158 1.00 0.81 H new ATOM 2813 N LYS A 724 160.565 -11.064 -4.283 1.00 0.67 N ATOM 2814 CA LYS A 724 161.033 -11.562 -2.976 1.00 0.83 C ATOM 2815 C LYS A 724 160.731 -13.053 -2.886 1.00 0.79 C ATOM 2816 O LYS A 724 160.426 -13.592 -1.842 1.00 0.91 O ATOM 2817 CB LYS A 724 160.316 -10.732 -1.929 1.00 0.98 C ATOM 2818 CG LYS A 724 160.605 -9.250 -2.181 1.00 1.77 C ATOM 2819 CD LYS A 724 160.964 -8.558 -0.866 1.00 1.70 C ATOM 2820 CE LYS A 724 162.460 -8.724 -0.585 1.00 1.55 C ATOM 2821 NZ LYS A 724 162.768 -7.716 0.471 1.00 2.25 N ATOM 0 H LYS A 724 161.289 -10.630 -4.856 1.00 0.67 H new ATOM 0 HA LYS A 724 162.108 -11.460 -2.827 1.00 0.83 H new ATOM 0 HB2 LYS A 724 159.243 -10.918 -1.971 1.00 0.98 H new ATOM 0 HB3 LYS A 724 160.650 -11.016 -0.931 1.00 0.98 H new ATOM 0 HG2 LYS A 724 161.425 -9.146 -2.892 1.00 1.77 H new ATOM 0 HG3 LYS A 724 159.733 -8.772 -2.627 1.00 1.77 H new ATOM 0 HD2 LYS A 724 160.710 -7.499 -0.920 1.00 1.70 H new ATOM 0 HD3 LYS A 724 160.382 -8.984 -0.049 1.00 1.70 H new ATOM 0 HE2 LYS A 724 162.688 -9.734 -0.245 1.00 1.55 H new ATOM 0 HE3 LYS A 724 163.052 -8.549 -1.483 1.00 1.55 H new ATOM 0 HZ1 LYS A 724 163.777 -7.769 0.717 1.00 2.25 H new ATOM 0 HZ2 LYS A 724 162.547 -6.763 0.117 1.00 2.25 H new ATOM 0 HZ3 LYS A 724 162.195 -7.912 1.316 1.00 2.25 H new ATOM 2835 N ASP A 725 160.825 -13.712 -4.015 1.00 0.68 N ATOM 2836 CA ASP A 725 160.555 -15.171 -4.096 1.00 0.74 C ATOM 2837 C ASP A 725 159.297 -15.481 -3.305 1.00 0.74 C ATOM 2838 O ASP A 725 159.147 -16.529 -2.707 1.00 0.88 O ATOM 2839 CB ASP A 725 161.791 -15.824 -3.497 1.00 0.94 C ATOM 2840 CG ASP A 725 161.600 -17.341 -3.420 1.00 1.34 C ATOM 2841 OD1 ASP A 725 160.983 -17.887 -4.320 1.00 2.01 O ATOM 2842 OD2 ASP A 725 162.075 -17.931 -2.463 1.00 1.97 O ATOM 0 H ASP A 725 161.085 -13.283 -4.903 1.00 0.68 H new ATOM 0 HA ASP A 725 160.382 -15.535 -5.109 1.00 0.74 H new ATOM 0 HB2 ASP A 725 162.666 -15.590 -4.104 1.00 0.94 H new ATOM 0 HB3 ASP A 725 161.978 -15.422 -2.501 1.00 0.94 H new ATOM 2847 N LEU A 726 158.385 -14.557 -3.319 1.00 0.63 N ATOM 2848 CA LEU A 726 157.106 -14.760 -2.587 1.00 0.67 C ATOM 2849 C LEU A 726 155.961 -14.201 -3.413 1.00 0.52 C ATOM 2850 O LEU A 726 154.931 -14.829 -3.560 1.00 0.48 O ATOM 2851 CB LEU A 726 157.228 -14.031 -1.241 1.00 0.86 C ATOM 2852 CG LEU A 726 157.824 -12.636 -1.392 1.00 0.86 C ATOM 2853 CD1 LEU A 726 156.706 -11.622 -1.636 1.00 0.85 C ATOM 2854 CD2 LEU A 726 158.560 -12.266 -0.101 1.00 1.04 C ATOM 0 H LEU A 726 158.468 -13.665 -3.807 1.00 0.63 H new ATOM 0 HA LEU A 726 156.906 -15.818 -2.415 1.00 0.67 H new ATOM 0 HB2 LEU A 726 156.243 -13.955 -0.781 1.00 0.86 H new ATOM 0 HB3 LEU A 726 157.851 -14.619 -0.567 1.00 0.86 H new ATOM 0 HG LEU A 726 158.515 -12.625 -2.235 1.00 0.86 H new ATOM 0 HD11 LEU A 726 157.135 -10.626 -1.743 1.00 0.85 H new ATOM 0 HD12 LEU A 726 156.168 -11.886 -2.547 1.00 0.85 H new ATOM 0 HD13 LEU A 726 156.016 -11.631 -0.792 1.00 0.85 H new ATOM 0 HD21 LEU A 726 158.990 -11.269 -0.200 1.00 1.04 H new ATOM 0 HD22 LEU A 726 157.859 -12.278 0.734 1.00 1.04 H new ATOM 0 HD23 LEU A 726 159.356 -12.987 0.084 1.00 1.04 H new ATOM 2866 N VAL A 727 156.139 -13.046 -3.990 1.00 0.50 N ATOM 2867 CA VAL A 727 155.049 -12.501 -4.843 1.00 0.50 C ATOM 2868 C VAL A 727 155.193 -13.086 -6.249 1.00 0.43 C ATOM 2869 O VAL A 727 154.359 -12.922 -7.117 1.00 0.55 O ATOM 2870 CB VAL A 727 155.223 -10.989 -4.812 1.00 0.67 C ATOM 2871 CG1 VAL A 727 154.410 -10.341 -5.941 1.00 0.78 C ATOM 2872 CG2 VAL A 727 154.732 -10.450 -3.463 1.00 0.89 C ATOM 0 H VAL A 727 156.974 -12.466 -3.911 1.00 0.50 H new ATOM 0 HA VAL A 727 154.049 -12.761 -4.497 1.00 0.50 H new ATOM 0 HB VAL A 727 156.278 -10.749 -4.947 1.00 0.67 H new ATOM 0 HG11 VAL A 727 154.542 -9.259 -5.910 1.00 0.78 H new ATOM 0 HG12 VAL A 727 154.756 -10.721 -6.902 1.00 0.78 H new ATOM 0 HG13 VAL A 727 153.355 -10.582 -5.814 1.00 0.78 H new ATOM 0 HG21 VAL A 727 154.855 -9.367 -3.437 1.00 0.89 H new ATOM 0 HG22 VAL A 727 153.679 -10.699 -3.333 1.00 0.89 H new ATOM 0 HG23 VAL A 727 155.313 -10.900 -2.658 1.00 0.89 H new ATOM 2882 N LYS A 728 156.261 -13.783 -6.443 1.00 0.39 N ATOM 2883 CA LYS A 728 156.546 -14.432 -7.756 1.00 0.51 C ATOM 2884 C LYS A 728 155.627 -15.641 -7.974 1.00 0.61 C ATOM 2885 O LYS A 728 155.571 -16.197 -9.054 1.00 0.79 O ATOM 2886 CB LYS A 728 157.997 -14.902 -7.634 1.00 0.55 C ATOM 2887 CG LYS A 728 158.703 -14.778 -8.982 1.00 0.92 C ATOM 2888 CD LYS A 728 158.393 -16.011 -9.833 1.00 1.72 C ATOM 2889 CE LYS A 728 159.527 -16.240 -10.834 1.00 2.31 C ATOM 2890 NZ LYS A 728 159.020 -15.688 -12.121 1.00 3.02 N ATOM 0 H LYS A 728 156.975 -13.940 -5.732 1.00 0.39 H new ATOM 0 HA LYS A 728 156.384 -13.755 -8.595 1.00 0.51 H new ATOM 0 HB2 LYS A 728 158.519 -14.306 -6.885 1.00 0.55 H new ATOM 0 HB3 LYS A 728 158.025 -15.937 -7.294 1.00 0.55 H new ATOM 0 HG2 LYS A 728 158.373 -13.875 -9.496 1.00 0.92 H new ATOM 0 HG3 LYS A 728 159.779 -14.685 -8.834 1.00 0.92 H new ATOM 0 HD2 LYS A 728 158.276 -16.886 -9.194 1.00 1.72 H new ATOM 0 HD3 LYS A 728 157.450 -15.873 -10.362 1.00 1.72 H new ATOM 0 HE2 LYS A 728 160.440 -15.734 -10.519 1.00 2.31 H new ATOM 0 HE3 LYS A 728 159.765 -17.300 -10.925 1.00 2.31 H new ATOM 0 HZ1 LYS A 728 159.743 -15.808 -12.859 1.00 3.02 H new ATOM 0 HZ2 LYS A 728 158.155 -16.193 -12.399 1.00 3.02 H new ATOM 0 HZ3 LYS A 728 158.808 -14.676 -12.005 1.00 3.02 H new ATOM 2904 N LYS A 729 154.919 -16.061 -6.958 1.00 0.58 N ATOM 2905 CA LYS A 729 154.021 -17.244 -7.111 1.00 0.73 C ATOM 2906 C LYS A 729 152.631 -16.825 -7.576 1.00 0.76 C ATOM 2907 O LYS A 729 151.719 -17.624 -7.663 1.00 0.88 O ATOM 2908 CB LYS A 729 153.952 -17.862 -5.721 1.00 0.84 C ATOM 2909 CG LYS A 729 154.644 -19.228 -5.727 1.00 1.09 C ATOM 2910 CD LYS A 729 153.725 -20.271 -6.371 1.00 1.76 C ATOM 2911 CE LYS A 729 153.228 -21.247 -5.300 1.00 2.22 C ATOM 2912 NZ LYS A 729 154.401 -22.114 -4.983 1.00 2.87 N ATOM 0 H LYS A 729 154.924 -15.637 -6.030 1.00 0.58 H new ATOM 0 HA LYS A 729 154.396 -17.941 -7.860 1.00 0.73 H new ATOM 0 HB2 LYS A 729 154.431 -17.204 -4.996 1.00 0.84 H new ATOM 0 HB3 LYS A 729 152.912 -17.972 -5.413 1.00 0.84 H new ATOM 0 HG2 LYS A 729 155.583 -19.168 -6.277 1.00 1.09 H new ATOM 0 HG3 LYS A 729 154.890 -19.526 -4.708 1.00 1.09 H new ATOM 0 HD2 LYS A 729 152.879 -19.779 -6.850 1.00 1.76 H new ATOM 0 HD3 LYS A 729 154.262 -20.812 -7.150 1.00 1.76 H new ATOM 0 HE2 LYS A 729 152.881 -20.715 -4.414 1.00 2.22 H new ATOM 0 HE3 LYS A 729 152.389 -21.839 -5.666 1.00 2.22 H new ATOM 0 HZ1 LYS A 729 154.129 -23.114 -5.075 1.00 2.87 H new ATOM 0 HZ2 LYS A 729 155.177 -21.904 -5.643 1.00 2.87 H new ATOM 0 HZ3 LYS A 729 154.716 -21.930 -4.009 1.00 2.87 H new ATOM 2926 N LEU A 730 152.476 -15.582 -7.875 1.00 0.75 N ATOM 2927 CA LEU A 730 151.157 -15.075 -8.344 1.00 0.94 C ATOM 2928 C LEU A 730 151.275 -14.533 -9.771 1.00 1.23 C ATOM 2929 O LEU A 730 150.387 -14.805 -10.562 1.00 1.82 O ATOM 2930 CB LEU A 730 150.784 -13.953 -7.372 1.00 0.76 C ATOM 2931 CG LEU A 730 150.679 -14.504 -5.945 1.00 0.78 C ATOM 2932 CD1 LEU A 730 150.115 -13.420 -5.023 1.00 0.84 C ATOM 2933 CD2 LEU A 730 149.745 -15.718 -5.922 1.00 1.15 C ATOM 2934 OXT LEU A 730 152.252 -13.857 -10.048 1.00 1.57 O ATOM 0 H LEU A 730 153.211 -14.878 -7.817 1.00 0.75 H new ATOM 0 HA LEU A 730 150.401 -15.860 -8.363 1.00 0.94 H new ATOM 0 HB2 LEU A 730 151.535 -13.163 -7.411 1.00 0.76 H new ATOM 0 HB3 LEU A 730 149.835 -13.506 -7.668 1.00 0.76 H new ATOM 0 HG LEU A 730 151.670 -14.804 -5.604 1.00 0.78 H new ATOM 0 HD11 LEU A 730 150.039 -13.809 -4.008 1.00 0.84 H new ATOM 0 HD12 LEU A 730 150.777 -12.554 -5.031 1.00 0.84 H new ATOM 0 HD13 LEU A 730 149.126 -13.123 -5.373 1.00 0.84 H new ATOM 0 HD21 LEU A 730 149.675 -16.104 -4.905 1.00 1.15 H new ATOM 0 HD22 LEU A 730 148.754 -15.421 -6.266 1.00 1.15 H new ATOM 0 HD23 LEU A 730 150.140 -16.493 -6.578 1.00 1.15 H new