USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 411 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 72 ASN : amide:sc= -0.511 K(o=-0.5,f=-2.6!) USER MOD Set 1.2: A 73 GLN : amide:sc= 0.0154 K(o=-0.5,f=-2.6) USER MOD Set 2.1: A 63 TYR OH : rot -50:sc= 0.599 USER MOD Set 2.2: A 67 LYS NZ :NH3+ 147:sc= 0.584 (180deg=-0.0179) USER MOD Set 3.1: A 44 GLN : amide:sc= 0.621 K(o=0.41,f=-2.7) USER MOD Set 3.2: A 48 SER OG : rot 180:sc= 0 USER MOD Set 3.3: A 51 GLN : amide:sc= -0.211 K(o=0.41,f=-1.9) USER MOD Set 4.1: A 30 SER OG : rot 35:sc= 0.209 USER MOD Set 4.2: A 33 GLN :FLIP amide:sc= 0 F(o=-0.42,f=0.21) USER MOD Single : A 31 SER OG : rot 180:sc= 0.00525 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.0367 K(o=-0.037,f=-1) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -168:sc= -0.109 (180deg=-0.5) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.172 K(o=-0.17,f=-4.3!) USER MOD Single : A 52 MET CE :methyl 163:sc= -0.241 (180deg=-0.783) USER MOD Single : A 53 GLN : amide:sc= -1.46! C(o=-1.5!,f=-2.4!) USER MOD Single : A 56 SER OG : rot -0:sc= 0.519 USER MOD Single : A 57 ASN : amide:sc= -0.489! X(o=-0.49!,f=-0.14) USER MOD Single : A 60 ASN : amide:sc= -0.322 K(o=-0.32,f=-1.2) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN :FLIP amide:sc= -0.917 F(o=-5.3!,f=-0.92) USER MOD Single : A 68 THR OG1 : rot 94:sc= 1.29 USER MOD Single : A 71 GLN :FLIP amide:sc= -0.221 F(o=-1.2,f=-0.22) USER MOD Single : A 75 MET CE :methyl -135:sc= -2.03 (180deg=-4.98!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 478 N SER A 30 8.215 0.182 3.709 1.00 0.00 N ATOM 479 CA SER A 30 8.747 0.953 4.818 1.00 0.00 C ATOM 480 C SER A 30 7.610 1.522 5.668 1.00 0.00 C ATOM 481 O SER A 30 6.461 1.575 5.219 1.00 0.00 O ATOM 482 CB SER A 30 9.628 2.073 4.279 1.00 0.00 C ATOM 483 OG SER A 30 10.595 1.561 3.379 1.00 0.00 O ATOM 0 HA SER A 30 9.348 0.302 5.453 1.00 0.00 H new ATOM 0 HB2 SER A 30 9.011 2.816 3.774 1.00 0.00 H new ATOM 0 HB3 SER A 30 10.126 2.580 5.105 1.00 0.00 H new ATOM 0 HG SER A 30 10.208 0.818 2.870 1.00 0.00 H new ATOM 489 N SER A 31 7.935 1.946 6.885 1.00 0.00 N ATOM 490 CA SER A 31 6.940 2.441 7.834 1.00 0.00 C ATOM 491 C SER A 31 6.065 3.540 7.225 1.00 0.00 C ATOM 492 O SER A 31 4.838 3.493 7.322 1.00 0.00 O ATOM 493 CB SER A 31 7.643 2.965 9.084 1.00 0.00 C ATOM 494 OG SER A 31 8.593 2.027 9.563 1.00 0.00 O ATOM 0 H SER A 31 8.891 1.957 7.241 1.00 0.00 H new ATOM 0 HA SER A 31 6.285 1.610 8.097 1.00 0.00 H new ATOM 0 HB2 SER A 31 8.140 3.908 8.858 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.906 3.171 9.861 1.00 0.00 H new ATOM 0 HG SER A 31 9.032 2.385 10.363 1.00 0.00 H new ATOM 500 N THR A 32 6.699 4.516 6.587 1.00 0.00 N ATOM 501 CA THR A 32 5.976 5.627 5.983 1.00 0.00 C ATOM 502 C THR A 32 5.096 5.139 4.836 1.00 0.00 C ATOM 503 O THR A 32 3.948 5.558 4.700 1.00 0.00 O ATOM 504 CB THR A 32 6.956 6.697 5.468 1.00 0.00 C ATOM 505 OG1 THR A 32 7.924 6.988 6.485 1.00 0.00 O ATOM 506 CG2 THR A 32 6.227 7.975 5.085 1.00 0.00 C ATOM 0 H THR A 32 7.712 4.560 6.475 1.00 0.00 H new ATOM 0 HA THR A 32 5.341 6.070 6.750 1.00 0.00 H new ATOM 0 HB THR A 32 7.451 6.306 4.579 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.549 7.668 6.157 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.947 8.711 4.725 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.504 7.760 4.298 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.707 8.372 5.957 1.00 0.00 H new ATOM 514 N GLN A 33 5.637 4.230 4.034 1.00 0.00 N ATOM 515 CA GLN A 33 4.916 3.678 2.896 1.00 0.00 C ATOM 516 C GLN A 33 3.667 2.933 3.353 1.00 0.00 C ATOM 517 O GLN A 33 2.579 3.144 2.819 1.00 0.00 O ATOM 518 CB GLN A 33 5.828 2.746 2.095 1.00 0.00 C ATOM 519 CG GLN A 33 6.971 3.470 1.400 1.00 0.00 C ATOM 520 CD GLN A 33 7.999 2.530 0.800 1.00 0.00 C ATOM 521 OE1 GLN A 33 7.571 1.339 0.415 1.00 0.00 O flip ATOM 522 NE2 GLN A 33 9.172 2.876 0.685 1.00 0.00 N flip ATOM 0 H GLN A 33 6.579 3.858 4.153 1.00 0.00 H new ATOM 0 HA GLN A 33 4.604 4.503 2.255 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.240 1.990 2.763 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.233 2.221 1.348 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.565 4.104 0.612 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.464 4.128 2.116 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.463 3.804 0.994 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.855 2.236 0.280 1.00 0.00 H new ATOM 531 N LEU A 34 3.829 2.072 4.353 1.00 0.00 N ATOM 532 CA LEU A 34 2.709 1.309 4.896 1.00 0.00 C ATOM 533 C LEU A 34 1.632 2.232 5.451 1.00 0.00 C ATOM 534 O LEU A 34 0.449 2.050 5.170 1.00 0.00 O ATOM 535 CB LEU A 34 3.184 0.359 5.996 1.00 0.00 C ATOM 536 CG LEU A 34 3.960 -0.865 5.511 1.00 0.00 C ATOM 537 CD1 LEU A 34 4.493 -1.657 6.692 1.00 0.00 C ATOM 538 CD2 LEU A 34 3.070 -1.745 4.642 1.00 0.00 C ATOM 0 H LEU A 34 4.725 1.885 4.804 1.00 0.00 H new ATOM 0 HA LEU A 34 2.283 0.727 4.079 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.814 0.917 6.688 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.315 0.018 6.559 1.00 0.00 H new ATOM 0 HG LEU A 34 4.805 -0.525 4.912 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.043 -2.525 6.329 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.158 -1.027 7.282 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.661 -1.988 7.313 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.636 -2.613 4.304 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.209 -2.077 5.222 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.728 -1.176 3.778 1.00 0.00 H new ATOM 550 N CYS A 35 2.056 3.229 6.219 1.00 0.00 N ATOM 551 CA CYS A 35 1.135 4.144 6.879 1.00 0.00 C ATOM 552 C CYS A 35 0.227 4.845 5.868 1.00 0.00 C ATOM 553 O CYS A 35 -0.991 4.852 6.018 1.00 0.00 O ATOM 554 CB CYS A 35 1.914 5.181 7.697 1.00 0.00 C ATOM 555 SG CYS A 35 0.875 6.230 8.739 1.00 0.00 S ATOM 0 H CYS A 35 3.041 3.424 6.400 1.00 0.00 H new ATOM 0 HA CYS A 35 0.504 3.560 7.549 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.636 4.663 8.328 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.482 5.814 7.015 1.00 0.00 H new ATOM 0 HG CYS A 35 1.623 7.070 9.391 1.00 0.00 H new ATOM 561 N VAL A 36 0.821 5.408 4.822 1.00 0.00 N ATOM 562 CA VAL A 36 0.052 6.153 3.829 1.00 0.00 C ATOM 563 C VAL A 36 -0.885 5.222 3.060 1.00 0.00 C ATOM 564 O VAL A 36 -2.036 5.570 2.785 1.00 0.00 O ATOM 565 CB VAL A 36 0.968 6.899 2.835 1.00 0.00 C ATOM 566 CG1 VAL A 36 0.148 7.753 1.878 1.00 0.00 C ATOM 567 CG2 VAL A 36 1.976 7.761 3.576 1.00 0.00 C ATOM 0 H VAL A 36 1.824 5.364 4.639 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.537 6.892 4.372 1.00 0.00 H new ATOM 0 HB VAL A 36 1.510 6.153 2.253 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.815 8.269 1.188 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.534 7.116 1.315 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.425 8.487 2.445 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.611 8.278 2.857 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.449 8.494 4.187 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.592 7.131 4.217 1.00 0.00 H new ATOM 577 N LEU A 37 -0.389 4.034 2.725 1.00 0.00 N ATOM 578 CA LEU A 37 -1.187 3.042 2.008 1.00 0.00 C ATOM 579 C LEU A 37 -2.387 2.606 2.838 1.00 0.00 C ATOM 580 O LEU A 37 -3.521 2.583 2.349 1.00 0.00 O ATOM 581 CB LEU A 37 -0.334 1.820 1.647 1.00 0.00 C ATOM 582 CG LEU A 37 0.728 2.058 0.574 1.00 0.00 C ATOM 583 CD1 LEU A 37 1.616 0.833 0.426 1.00 0.00 C ATOM 584 CD2 LEU A 37 0.071 2.394 -0.756 1.00 0.00 C ATOM 0 H LEU A 37 0.562 3.734 2.938 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.548 3.506 1.090 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.160 1.463 2.551 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.996 1.023 1.309 1.00 0.00 H new ATOM 0 HG LEU A 37 1.346 2.902 0.881 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.367 1.019 -0.342 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.111 0.626 1.375 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.008 -0.025 0.139 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.840 2.561 -1.510 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.567 1.567 -1.066 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.531 3.296 -0.647 1.00 0.00 H new ATOM 596 N ASN A 38 -2.136 2.285 4.100 1.00 0.00 N ATOM 597 CA ASN A 38 -3.190 1.778 4.968 1.00 0.00 C ATOM 598 C ASN A 38 -4.170 2.887 5.311 1.00 0.00 C ATOM 599 O ASN A 38 -5.360 2.640 5.445 1.00 0.00 O ATOM 600 CB ASN A 38 -2.617 1.173 6.249 1.00 0.00 C ATOM 601 CG ASN A 38 -3.637 0.325 6.990 1.00 0.00 C ATOM 602 OD1 ASN A 38 -4.476 -0.341 6.380 1.00 0.00 O ATOM 603 ND2 ASN A 38 -3.589 0.355 8.309 1.00 0.00 N ATOM 0 H ASN A 38 -1.221 2.366 4.542 1.00 0.00 H new ATOM 0 HA ASN A 38 -3.714 0.990 4.427 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -1.749 0.562 6.003 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -2.269 1.973 6.902 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -4.260 -0.184 8.856 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -2.881 0.917 8.781 1.00 0.00 H new ATOM 610 N ASP A 39 -3.664 4.113 5.430 1.00 0.00 N ATOM 611 CA ASP A 39 -4.515 5.281 5.669 1.00 0.00 C ATOM 612 C ASP A 39 -5.606 5.373 4.613 1.00 0.00 C ATOM 613 O ASP A 39 -6.776 5.601 4.925 1.00 0.00 O ATOM 614 CB ASP A 39 -3.689 6.572 5.646 1.00 0.00 C ATOM 615 CG ASP A 39 -4.549 7.822 5.731 1.00 0.00 C ATOM 616 OD1 ASP A 39 -4.987 8.329 4.670 1.00 0.00 O ATOM 617 OD2 ASP A 39 -4.786 8.308 6.857 1.00 0.00 O ATOM 0 H ASP A 39 -2.668 4.325 5.365 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.969 5.162 6.653 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.986 6.563 6.479 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.099 6.604 4.730 1.00 0.00 H new ATOM 622 N ARG A 40 -5.216 5.176 3.361 1.00 0.00 N ATOM 623 CA ARG A 40 -6.153 5.273 2.254 1.00 0.00 C ATOM 624 C ARG A 40 -7.209 4.178 2.336 1.00 0.00 C ATOM 625 O ARG A 40 -8.388 4.435 2.124 1.00 0.00 O ATOM 626 CB ARG A 40 -5.423 5.195 0.912 1.00 0.00 C ATOM 627 CG ARG A 40 -4.281 6.193 0.767 1.00 0.00 C ATOM 628 CD ARG A 40 -4.682 7.586 1.234 1.00 0.00 C ATOM 629 NE ARG A 40 -5.884 8.070 0.564 1.00 0.00 N ATOM 630 CZ ARG A 40 -6.828 8.781 1.173 1.00 0.00 C ATOM 631 NH1 ARG A 40 -6.720 9.074 2.465 1.00 0.00 N ATOM 632 NH2 ARG A 40 -7.887 9.192 0.492 1.00 0.00 N ATOM 0 H ARG A 40 -4.260 4.949 3.089 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.649 6.241 2.326 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -5.029 4.187 0.783 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.141 5.362 0.109 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.423 5.849 1.345 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.967 6.236 -0.276 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.850 7.571 2.311 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.861 8.279 1.049 1.00 0.00 H new ATOM 0 HE ARG A 40 -6.007 7.851 -0.425 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.910 8.753 2.995 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.448 9.620 2.927 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.977 8.963 -0.498 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.612 9.738 0.957 1.00 0.00 H new ATOM 646 N PHE A 41 -6.778 2.964 2.661 1.00 0.00 N ATOM 647 CA PHE A 41 -7.694 1.828 2.787 1.00 0.00 C ATOM 648 C PHE A 41 -8.518 1.922 4.070 1.00 0.00 C ATOM 649 O PHE A 41 -9.582 1.312 4.198 1.00 0.00 O ATOM 650 CB PHE A 41 -6.913 0.514 2.755 1.00 0.00 C ATOM 651 CG PHE A 41 -6.351 0.228 1.402 1.00 0.00 C ATOM 652 CD1 PHE A 41 -7.134 0.422 0.283 1.00 0.00 C ATOM 653 CD2 PHE A 41 -5.051 -0.224 1.243 1.00 0.00 C ATOM 654 CE1 PHE A 41 -6.639 0.177 -0.974 1.00 0.00 C ATOM 655 CE2 PHE A 41 -4.547 -0.475 -0.018 1.00 0.00 C ATOM 656 CZ PHE A 41 -5.343 -0.274 -1.131 1.00 0.00 C ATOM 0 H PHE A 41 -5.800 2.738 2.843 1.00 0.00 H new ATOM 0 HA PHE A 41 -8.382 1.854 1.942 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -6.102 0.557 3.482 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -7.568 -0.304 3.055 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -8.150 0.771 0.397 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.428 -0.381 2.111 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -7.263 0.337 -1.841 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.533 -0.828 -0.135 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.953 -0.469 -2.119 1.00 0.00 H new ATOM 666 N GLN A 42 -8.003 2.681 5.021 1.00 0.00 N ATOM 667 CA GLN A 42 -8.656 2.882 6.301 1.00 0.00 C ATOM 668 C GLN A 42 -9.814 3.862 6.169 1.00 0.00 C ATOM 669 O GLN A 42 -10.931 3.586 6.610 1.00 0.00 O ATOM 670 CB GLN A 42 -7.640 3.419 7.310 1.00 0.00 C ATOM 671 CG GLN A 42 -8.189 3.614 8.710 1.00 0.00 C ATOM 672 CD GLN A 42 -7.233 4.392 9.590 1.00 0.00 C ATOM 673 OE1 GLN A 42 -7.312 5.616 9.676 1.00 0.00 O ATOM 674 NE2 GLN A 42 -6.316 3.692 10.234 1.00 0.00 N ATOM 0 H GLN A 42 -7.117 3.177 4.926 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.051 1.926 6.646 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.795 2.732 7.357 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.256 4.373 6.948 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -9.142 4.140 8.656 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -8.387 2.641 9.161 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.286 2.677 10.135 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -5.638 4.166 10.831 1.00 0.00 H new ATOM 683 N ARG A 43 -9.547 5.004 5.550 1.00 0.00 N ATOM 684 CA ARG A 43 -10.524 6.081 5.496 1.00 0.00 C ATOM 685 C ARG A 43 -11.351 6.024 4.212 1.00 0.00 C ATOM 686 O ARG A 43 -12.346 6.739 4.076 1.00 0.00 O ATOM 687 CB ARG A 43 -9.818 7.433 5.621 1.00 0.00 C ATOM 688 CG ARG A 43 -8.846 7.496 6.789 1.00 0.00 C ATOM 689 CD ARG A 43 -8.276 8.888 6.976 1.00 0.00 C ATOM 690 NE ARG A 43 -7.147 8.887 7.902 1.00 0.00 N ATOM 691 CZ ARG A 43 -7.200 9.335 9.154 1.00 0.00 C ATOM 692 NH1 ARG A 43 -8.318 9.874 9.628 1.00 0.00 N ATOM 693 NH2 ARG A 43 -6.122 9.263 9.920 1.00 0.00 N ATOM 0 H ARG A 43 -8.665 5.207 5.080 1.00 0.00 H new ATOM 0 HA ARG A 43 -11.211 5.958 6.333 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -9.279 7.641 4.697 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -10.566 8.217 5.737 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.355 7.187 7.702 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -8.032 6.790 6.623 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.956 9.283 6.012 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -9.054 9.553 7.351 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.257 8.518 7.566 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.142 9.946 9.031 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.352 10.215 10.589 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -5.259 8.866 9.549 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -6.155 9.604 10.881 1.00 0.00 H new ATOM 707 N GLN A 44 -10.935 5.182 3.276 1.00 0.00 N ATOM 708 CA GLN A 44 -11.667 4.986 2.031 1.00 0.00 C ATOM 709 C GLN A 44 -11.652 3.503 1.680 1.00 0.00 C ATOM 710 O GLN A 44 -10.778 2.773 2.132 1.00 0.00 O ATOM 711 CB GLN A 44 -11.045 5.823 0.905 1.00 0.00 C ATOM 712 CG GLN A 44 -11.910 5.924 -0.341 1.00 0.00 C ATOM 713 CD GLN A 44 -11.343 6.883 -1.374 1.00 0.00 C ATOM 714 OE1 GLN A 44 -11.634 8.081 -1.349 1.00 0.00 O ATOM 715 NE2 GLN A 44 -10.540 6.372 -2.291 1.00 0.00 N ATOM 0 H GLN A 44 -10.088 4.620 3.356 1.00 0.00 H new ATOM 0 HA GLN A 44 -12.699 5.316 2.154 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -10.847 6.827 1.280 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -10.083 5.389 0.633 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -12.013 4.935 -0.788 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -12.910 6.252 -0.058 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -10.322 5.376 -2.280 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -10.138 6.974 -3.010 1.00 0.00 H new ATOM 724 N LYS A 45 -12.620 3.054 0.893 1.00 0.00 N ATOM 725 CA LYS A 45 -12.725 1.640 0.553 1.00 0.00 C ATOM 726 C LYS A 45 -11.501 1.157 -0.219 1.00 0.00 C ATOM 727 O LYS A 45 -10.884 0.155 0.142 1.00 0.00 O ATOM 728 CB LYS A 45 -13.985 1.385 -0.274 1.00 0.00 C ATOM 729 CG LYS A 45 -15.260 1.784 0.438 1.00 0.00 C ATOM 730 CD LYS A 45 -16.492 1.359 -0.336 1.00 0.00 C ATOM 731 CE LYS A 45 -17.761 1.765 0.391 1.00 0.00 C ATOM 732 NZ LYS A 45 -17.726 1.369 1.825 1.00 0.00 N ATOM 0 H LYS A 45 -13.341 3.645 0.479 1.00 0.00 H new ATOM 0 HA LYS A 45 -12.782 1.082 1.487 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.913 1.936 -1.212 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.036 0.326 -0.529 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -15.280 1.332 1.430 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.274 2.865 0.580 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.477 1.812 -1.327 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -16.481 0.278 -0.479 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -17.894 2.844 0.315 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -18.621 1.303 -0.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -18.675 1.475 2.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -17.423 0.377 1.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -17.056 1.977 2.337 1.00 0.00 H new ATOM 746 N TYR A 46 -11.151 1.875 -1.276 1.00 0.00 N ATOM 747 CA TYR A 46 -10.062 1.466 -2.150 1.00 0.00 C ATOM 748 C TYR A 46 -9.383 2.686 -2.751 1.00 0.00 C ATOM 749 O TYR A 46 -9.852 3.811 -2.578 1.00 0.00 O ATOM 750 CB TYR A 46 -10.576 0.550 -3.270 1.00 0.00 C ATOM 751 CG TYR A 46 -11.004 -0.824 -2.797 1.00 0.00 C ATOM 752 CD1 TYR A 46 -10.060 -1.771 -2.414 1.00 0.00 C ATOM 753 CD2 TYR A 46 -12.348 -1.172 -2.726 1.00 0.00 C ATOM 754 CE1 TYR A 46 -10.445 -3.024 -1.976 1.00 0.00 C ATOM 755 CE2 TYR A 46 -12.739 -2.424 -2.289 1.00 0.00 C ATOM 756 CZ TYR A 46 -11.784 -3.346 -1.915 1.00 0.00 C ATOM 757 OH TYR A 46 -12.168 -4.596 -1.486 1.00 0.00 O ATOM 0 H TYR A 46 -11.607 2.746 -1.549 1.00 0.00 H new ATOM 0 HA TYR A 46 -9.338 0.912 -1.553 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -11.421 1.033 -3.761 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -9.793 0.437 -4.020 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -9.010 -1.523 -2.460 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -13.099 -0.453 -3.017 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -9.700 -3.748 -1.683 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -13.787 -2.679 -2.241 1.00 0.00 H new ATOM 0 HH TYR A 46 -13.146 -4.661 -1.501 1.00 0.00 H new ATOM 767 N LEU A 47 -8.282 2.458 -3.451 1.00 0.00 N ATOM 768 CA LEU A 47 -7.557 3.534 -4.112 1.00 0.00 C ATOM 769 C LEU A 47 -8.254 3.941 -5.401 1.00 0.00 C ATOM 770 O LEU A 47 -8.690 3.089 -6.177 1.00 0.00 O ATOM 771 CB LEU A 47 -6.118 3.113 -4.423 1.00 0.00 C ATOM 772 CG LEU A 47 -5.211 2.928 -3.206 1.00 0.00 C ATOM 773 CD1 LEU A 47 -3.856 2.380 -3.630 1.00 0.00 C ATOM 774 CD2 LEU A 47 -5.043 4.246 -2.468 1.00 0.00 C ATOM 0 H LEU A 47 -7.869 1.534 -3.577 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.538 4.385 -3.431 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.144 2.177 -4.981 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.672 3.862 -5.077 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.677 2.209 -2.532 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.223 2.255 -2.751 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.991 1.416 -4.121 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.382 3.076 -4.322 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.395 4.099 -1.604 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.596 4.983 -3.136 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.017 4.603 -2.134 1.00 0.00 H new ATOM 786 N SER A 48 -8.360 5.242 -5.619 1.00 0.00 N ATOM 787 CA SER A 48 -8.940 5.765 -6.836 1.00 0.00 C ATOM 788 C SER A 48 -7.875 5.822 -7.923 1.00 0.00 C ATOM 789 O SER A 48 -6.696 5.571 -7.663 1.00 0.00 O ATOM 790 CB SER A 48 -9.518 7.159 -6.574 1.00 0.00 C ATOM 791 OG SER A 48 -10.320 7.159 -5.404 1.00 0.00 O ATOM 0 H SER A 48 -8.048 5.956 -4.961 1.00 0.00 H new ATOM 0 HA SER A 48 -9.746 5.112 -7.169 1.00 0.00 H new ATOM 0 HB2 SER A 48 -8.707 7.879 -6.465 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.114 7.477 -7.429 1.00 0.00 H new ATOM 0 HG SER A 48 -10.678 8.059 -5.253 1.00 0.00 H new ATOM 797 N LEU A 49 -8.292 6.174 -9.123 1.00 0.00 N ATOM 798 CA LEU A 49 -7.383 6.245 -10.261 1.00 0.00 C ATOM 799 C LEU A 49 -6.343 7.326 -9.993 1.00 0.00 C ATOM 800 O LEU A 49 -5.150 7.149 -10.234 1.00 0.00 O ATOM 801 CB LEU A 49 -8.177 6.542 -11.548 1.00 0.00 C ATOM 802 CG LEU A 49 -7.469 6.236 -12.881 1.00 0.00 C ATOM 803 CD1 LEU A 49 -6.369 7.244 -13.175 1.00 0.00 C ATOM 804 CD2 LEU A 49 -6.905 4.822 -12.871 1.00 0.00 C ATOM 0 H LEU A 49 -9.258 6.417 -9.341 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.873 5.291 -10.396 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.104 5.970 -11.516 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.452 7.597 -11.543 1.00 0.00 H new ATOM 0 HG LEU A 49 -8.211 6.315 -13.675 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.892 6.996 -14.123 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.799 8.244 -13.236 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.627 7.216 -12.377 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.408 4.622 -13.820 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.187 4.723 -12.057 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.716 4.108 -12.728 1.00 0.00 H new ATOM 816 N GLN A 50 -6.817 8.431 -9.448 1.00 0.00 N ATOM 817 CA GLN A 50 -5.972 9.551 -9.115 1.00 0.00 C ATOM 818 C GLN A 50 -5.109 9.234 -7.900 1.00 0.00 C ATOM 819 O GLN A 50 -3.957 9.645 -7.818 1.00 0.00 O ATOM 820 CB GLN A 50 -6.836 10.777 -8.827 1.00 0.00 C ATOM 821 CG GLN A 50 -7.601 11.327 -10.027 1.00 0.00 C ATOM 822 CD GLN A 50 -8.739 10.428 -10.474 1.00 0.00 C ATOM 823 OE1 GLN A 50 -9.312 9.682 -9.674 1.00 0.00 O ATOM 824 NE2 GLN A 50 -9.083 10.497 -11.749 1.00 0.00 N ATOM 0 H GLN A 50 -7.802 8.572 -9.225 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.316 9.755 -9.961 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -7.552 10.522 -8.045 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -6.198 11.566 -8.430 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -8.000 12.310 -9.776 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.909 11.467 -10.858 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.585 11.126 -12.378 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -9.847 9.921 -12.103 1.00 0.00 H new ATOM 833 N GLN A 51 -5.669 8.487 -6.962 1.00 0.00 N ATOM 834 CA GLN A 51 -4.989 8.210 -5.710 1.00 0.00 C ATOM 835 C GLN A 51 -3.878 7.173 -5.873 1.00 0.00 C ATOM 836 O GLN A 51 -2.885 7.221 -5.155 1.00 0.00 O ATOM 837 CB GLN A 51 -5.991 7.766 -4.647 1.00 0.00 C ATOM 838 CG GLN A 51 -6.982 8.857 -4.265 1.00 0.00 C ATOM 839 CD GLN A 51 -7.841 8.493 -3.069 1.00 0.00 C ATOM 840 OE1 GLN A 51 -7.415 7.761 -2.179 1.00 0.00 O ATOM 841 NE2 GLN A 51 -9.063 9.005 -3.041 1.00 0.00 N ATOM 0 H GLN A 51 -6.593 8.062 -7.045 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.515 9.136 -5.385 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -6.539 6.898 -5.013 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.449 7.448 -3.756 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -6.436 9.774 -4.046 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -7.628 9.067 -5.118 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -9.380 9.609 -3.799 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -9.686 8.795 -2.261 1.00 0.00 H new ATOM 850 N MET A 52 -4.039 6.235 -6.805 1.00 0.00 N ATOM 851 CA MET A 52 -2.997 5.235 -7.045 1.00 0.00 C ATOM 852 C MET A 52 -1.761 5.884 -7.669 1.00 0.00 C ATOM 853 O MET A 52 -0.633 5.559 -7.300 1.00 0.00 O ATOM 854 CB MET A 52 -3.510 4.075 -7.911 1.00 0.00 C ATOM 855 CG MET A 52 -3.983 4.476 -9.299 1.00 0.00 C ATOM 856 SD MET A 52 -4.603 3.078 -10.255 1.00 0.00 S ATOM 857 CE MET A 52 -5.960 2.524 -9.224 1.00 0.00 C ATOM 0 H MET A 52 -4.865 6.145 -7.397 1.00 0.00 H new ATOM 0 HA MET A 52 -2.713 4.814 -6.080 1.00 0.00 H new ATOM 0 HB2 MET A 52 -2.715 3.337 -8.013 1.00 0.00 H new ATOM 0 HB3 MET A 52 -4.333 3.587 -7.389 1.00 0.00 H new ATOM 0 HG2 MET A 52 -4.769 5.226 -9.208 1.00 0.00 H new ATOM 0 HG3 MET A 52 -3.159 4.943 -9.838 1.00 0.00 H new ATOM 0 HE1 MET A 52 -6.619 1.879 -9.805 1.00 0.00 H new ATOM 0 HE2 MET A 52 -5.567 1.968 -8.373 1.00 0.00 H new ATOM 0 HE3 MET A 52 -6.521 3.387 -8.866 1.00 0.00 H new ATOM 867 N GLN A 53 -1.966 6.818 -8.595 1.00 0.00 N ATOM 868 CA GLN A 53 -0.844 7.539 -9.190 1.00 0.00 C ATOM 869 C GLN A 53 -0.277 8.560 -8.201 1.00 0.00 C ATOM 870 O GLN A 53 0.930 8.803 -8.171 1.00 0.00 O ATOM 871 CB GLN A 53 -1.247 8.216 -10.507 1.00 0.00 C ATOM 872 CG GLN A 53 -2.397 9.201 -10.384 1.00 0.00 C ATOM 873 CD GLN A 53 -2.669 9.942 -11.674 1.00 0.00 C ATOM 874 OE1 GLN A 53 -3.806 10.311 -11.965 1.00 0.00 O ATOM 875 NE2 GLN A 53 -1.621 10.176 -12.448 1.00 0.00 N ATOM 0 H GLN A 53 -2.884 7.090 -8.945 1.00 0.00 H new ATOM 0 HA GLN A 53 -0.064 6.813 -9.421 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.380 8.738 -10.912 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -1.521 7.446 -11.228 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.297 8.667 -10.080 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.172 9.920 -9.597 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -0.696 9.851 -12.166 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -1.738 10.681 -13.326 1.00 0.00 H new ATOM 884 N GLU A 54 -1.153 9.143 -7.387 1.00 0.00 N ATOM 885 CA GLU A 54 -0.734 10.076 -6.347 1.00 0.00 C ATOM 886 C GLU A 54 0.137 9.360 -5.321 1.00 0.00 C ATOM 887 O GLU A 54 1.237 9.814 -5.008 1.00 0.00 O ATOM 888 CB GLU A 54 -1.958 10.718 -5.679 1.00 0.00 C ATOM 889 CG GLU A 54 -1.620 11.620 -4.504 1.00 0.00 C ATOM 890 CD GLU A 54 -2.759 12.552 -4.145 1.00 0.00 C ATOM 891 OE1 GLU A 54 -3.803 12.085 -3.645 1.00 0.00 O ATOM 892 OE2 GLU A 54 -2.624 13.768 -4.385 1.00 0.00 O ATOM 0 H GLU A 54 -2.160 8.985 -7.429 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.143 10.871 -6.802 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.503 11.298 -6.424 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.628 9.929 -5.337 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.370 11.006 -3.639 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.735 12.209 -4.744 1.00 0.00 H new ATOM 899 N LEU A 55 -0.345 8.221 -4.829 1.00 0.00 N ATOM 900 CA LEU A 55 0.393 7.421 -3.860 1.00 0.00 C ATOM 901 C LEU A 55 1.739 7.001 -4.430 1.00 0.00 C ATOM 902 O LEU A 55 2.750 6.989 -3.725 1.00 0.00 O ATOM 903 CB LEU A 55 -0.420 6.186 -3.466 1.00 0.00 C ATOM 904 CG LEU A 55 -0.726 6.053 -1.973 1.00 0.00 C ATOM 905 CD1 LEU A 55 0.560 5.987 -1.164 1.00 0.00 C ATOM 906 CD2 LEU A 55 -1.598 7.210 -1.507 1.00 0.00 C ATOM 0 H LEU A 55 -1.251 7.831 -5.089 1.00 0.00 H new ATOM 0 HA LEU A 55 0.566 8.028 -2.971 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.363 6.202 -4.013 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.121 5.297 -3.790 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.273 5.124 -1.814 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.319 5.893 -0.105 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.146 5.124 -1.481 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.138 6.897 -1.325 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.808 7.102 -0.443 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.077 8.151 -1.680 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.535 7.206 -2.064 1.00 0.00 H new ATOM 918 N SER A 56 1.733 6.659 -5.709 1.00 0.00 N ATOM 919 CA SER A 56 2.952 6.335 -6.435 1.00 0.00 C ATOM 920 C SER A 56 3.984 7.455 -6.314 1.00 0.00 C ATOM 921 O SER A 56 5.160 7.197 -6.056 1.00 0.00 O ATOM 922 CB SER A 56 2.611 6.073 -7.906 1.00 0.00 C ATOM 923 OG SER A 56 3.762 5.767 -8.672 1.00 0.00 O ATOM 0 H SER A 56 0.885 6.598 -6.272 1.00 0.00 H new ATOM 0 HA SER A 56 3.392 5.438 -5.999 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.902 5.248 -7.972 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.119 6.950 -8.326 1.00 0.00 H new ATOM 0 HG SER A 56 4.554 5.792 -8.096 1.00 0.00 H new ATOM 929 N ASN A 57 3.542 8.695 -6.485 1.00 0.00 N ATOM 930 CA ASN A 57 4.440 9.844 -6.405 1.00 0.00 C ATOM 931 C ASN A 57 4.952 10.006 -4.977 1.00 0.00 C ATOM 932 O ASN A 57 6.115 10.345 -4.760 1.00 0.00 O ATOM 933 CB ASN A 57 3.713 11.122 -6.847 1.00 0.00 C ATOM 934 CG ASN A 57 4.645 12.277 -7.211 1.00 0.00 C ATOM 935 OD1 ASN A 57 4.286 13.138 -8.016 1.00 0.00 O ATOM 936 ND2 ASN A 57 5.843 12.317 -6.641 1.00 0.00 N ATOM 0 H ASN A 57 2.569 8.932 -6.680 1.00 0.00 H new ATOM 0 HA ASN A 57 5.286 9.673 -7.071 1.00 0.00 H new ATOM 0 HB2 ASN A 57 3.086 10.891 -7.708 1.00 0.00 H new ATOM 0 HB3 ASN A 57 3.048 11.445 -6.046 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.490 13.073 -6.866 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.117 11.592 -5.978 1.00 0.00 H new ATOM 943 N ILE A 58 4.087 9.736 -4.007 1.00 0.00 N ATOM 944 CA ILE A 58 4.419 9.936 -2.604 1.00 0.00 C ATOM 945 C ILE A 58 5.532 8.992 -2.172 1.00 0.00 C ATOM 946 O ILE A 58 6.468 9.393 -1.482 1.00 0.00 O ATOM 947 CB ILE A 58 3.192 9.713 -1.692 1.00 0.00 C ATOM 948 CG1 ILE A 58 2.017 10.560 -2.178 1.00 0.00 C ATOM 949 CG2 ILE A 58 3.531 10.050 -0.244 1.00 0.00 C ATOM 950 CD1 ILE A 58 0.779 10.447 -1.314 1.00 0.00 C ATOM 0 H ILE A 58 3.146 9.376 -4.169 1.00 0.00 H new ATOM 0 HA ILE A 58 4.752 10.969 -2.501 1.00 0.00 H new ATOM 0 HB ILE A 58 2.909 8.661 -1.739 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.327 11.604 -2.217 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.765 10.264 -3.196 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.654 9.887 0.382 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.345 9.411 0.097 1.00 0.00 H new ATOM 0 HG23 ILE A 58 3.836 11.094 -0.175 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.010 11.077 -1.724 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.442 9.411 -1.295 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.012 10.772 -0.300 1.00 0.00 H new ATOM 962 N LEU A 59 5.443 7.744 -2.608 1.00 0.00 N ATOM 963 CA LEU A 59 6.383 6.733 -2.158 1.00 0.00 C ATOM 964 C LEU A 59 7.563 6.608 -3.116 1.00 0.00 C ATOM 965 O LEU A 59 8.460 5.789 -2.901 1.00 0.00 O ATOM 966 CB LEU A 59 5.680 5.381 -2.019 1.00 0.00 C ATOM 967 CG LEU A 59 4.367 5.403 -1.229 1.00 0.00 C ATOM 968 CD1 LEU A 59 3.801 3.998 -1.105 1.00 0.00 C ATOM 969 CD2 LEU A 59 4.568 6.023 0.148 1.00 0.00 C ATOM 0 H LEU A 59 4.737 7.411 -3.265 1.00 0.00 H new ATOM 0 HA LEU A 59 6.765 7.042 -1.185 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.478 4.991 -3.017 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.364 4.683 -1.536 1.00 0.00 H new ATOM 0 HG LEU A 59 3.652 6.020 -1.774 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.869 4.030 -0.541 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.611 3.593 -2.099 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.517 3.362 -0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.621 6.026 0.687 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.301 5.440 0.706 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.926 7.047 0.037 1.00 0.00 H new ATOM 981 N ASN A 60 7.556 7.438 -4.158 1.00 0.00 N ATOM 982 CA ASN A 60 8.570 7.393 -5.216 1.00 0.00 C ATOM 983 C ASN A 60 8.582 6.013 -5.873 1.00 0.00 C ATOM 984 O ASN A 60 9.628 5.473 -6.236 1.00 0.00 O ATOM 985 CB ASN A 60 9.962 7.756 -4.674 1.00 0.00 C ATOM 986 CG ASN A 60 10.986 7.974 -5.781 1.00 0.00 C ATOM 987 OD1 ASN A 60 10.641 8.383 -6.895 1.00 0.00 O ATOM 988 ND2 ASN A 60 12.248 7.700 -5.489 1.00 0.00 N ATOM 0 H ASN A 60 6.849 8.161 -4.295 1.00 0.00 H new ATOM 0 HA ASN A 60 8.311 8.137 -5.969 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.888 8.660 -4.070 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.309 6.960 -4.015 1.00 0.00 H new ATOM 0 HD21 ASN A 60 12.974 7.825 -6.195 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.495 7.364 -4.558 1.00 0.00 H new ATOM 995 N LEU A 61 7.393 5.456 -6.043 1.00 0.00 N ATOM 996 CA LEU A 61 7.235 4.162 -6.679 1.00 0.00 C ATOM 997 C LEU A 61 6.630 4.347 -8.056 1.00 0.00 C ATOM 998 O LEU A 61 6.414 5.473 -8.501 1.00 0.00 O ATOM 999 CB LEU A 61 6.343 3.247 -5.829 1.00 0.00 C ATOM 1000 CG LEU A 61 6.897 2.886 -4.446 1.00 0.00 C ATOM 1001 CD1 LEU A 61 5.917 1.993 -3.698 1.00 0.00 C ATOM 1002 CD2 LEU A 61 8.255 2.205 -4.578 1.00 0.00 C ATOM 0 H LEU A 61 6.517 5.886 -5.746 1.00 0.00 H new ATOM 0 HA LEU A 61 8.214 3.692 -6.773 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.375 3.731 -5.699 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.166 2.325 -6.382 1.00 0.00 H new ATOM 0 HG LEU A 61 7.029 3.804 -3.874 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.325 1.746 -2.718 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.969 2.517 -3.575 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.754 1.076 -4.265 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.635 1.955 -3.587 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.149 1.294 -5.167 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.953 2.879 -5.075 1.00 0.00 H new ATOM 1014 N SER A 62 6.365 3.246 -8.728 1.00 0.00 N ATOM 1015 CA SER A 62 5.811 3.294 -10.061 1.00 0.00 C ATOM 1016 C SER A 62 4.305 3.078 -10.030 1.00 0.00 C ATOM 1017 O SER A 62 3.799 2.277 -9.239 1.00 0.00 O ATOM 1018 CB SER A 62 6.482 2.241 -10.937 1.00 0.00 C ATOM 1019 OG SER A 62 5.881 2.168 -12.217 1.00 0.00 O ATOM 0 H SER A 62 6.526 2.305 -8.370 1.00 0.00 H new ATOM 0 HA SER A 62 6.001 4.281 -10.482 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.541 2.477 -11.044 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.420 1.268 -10.449 1.00 0.00 H new ATOM 0 HG SER A 62 6.336 1.485 -12.753 1.00 0.00 H new ATOM 1025 N TYR A 63 3.602 3.806 -10.891 1.00 0.00 N ATOM 1026 CA TYR A 63 2.159 3.681 -11.035 1.00 0.00 C ATOM 1027 C TYR A 63 1.770 2.235 -11.302 1.00 0.00 C ATOM 1028 O TYR A 63 0.769 1.748 -10.787 1.00 0.00 O ATOM 1029 CB TYR A 63 1.671 4.582 -12.178 1.00 0.00 C ATOM 1030 CG TYR A 63 0.227 4.355 -12.573 1.00 0.00 C ATOM 1031 CD1 TYR A 63 -0.806 4.986 -11.898 1.00 0.00 C ATOM 1032 CD2 TYR A 63 -0.097 3.504 -13.622 1.00 0.00 C ATOM 1033 CE1 TYR A 63 -2.124 4.777 -12.259 1.00 0.00 C ATOM 1034 CE2 TYR A 63 -1.411 3.289 -13.986 1.00 0.00 C ATOM 1035 CZ TYR A 63 -2.420 3.926 -13.300 1.00 0.00 C ATOM 1036 OH TYR A 63 -3.731 3.708 -13.659 1.00 0.00 O ATOM 0 H TYR A 63 4.020 4.501 -11.510 1.00 0.00 H new ATOM 0 HA TYR A 63 1.686 3.996 -10.105 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.796 5.624 -11.883 1.00 0.00 H new ATOM 0 HB3 TYR A 63 2.305 4.419 -13.050 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -0.578 5.651 -11.078 1.00 0.00 H new ATOM 0 HD2 TYR A 63 0.692 3.002 -14.162 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -2.918 5.279 -11.727 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -1.646 2.625 -14.804 1.00 0.00 H new ATOM 0 HH TYR A 63 -4.254 3.479 -12.863 1.00 0.00 H new ATOM 1046 N LYS A 64 2.588 1.545 -12.082 1.00 0.00 N ATOM 1047 CA LYS A 64 2.326 0.165 -12.430 1.00 0.00 C ATOM 1048 C LYS A 64 2.470 -0.721 -11.205 1.00 0.00 C ATOM 1049 O LYS A 64 1.701 -1.659 -11.010 1.00 0.00 O ATOM 1050 CB LYS A 64 3.287 -0.280 -13.528 1.00 0.00 C ATOM 1051 CG LYS A 64 3.055 0.425 -14.852 1.00 0.00 C ATOM 1052 CD LYS A 64 4.097 0.037 -15.887 1.00 0.00 C ATOM 1053 CE LYS A 64 3.812 0.694 -17.228 1.00 0.00 C ATOM 1054 NZ LYS A 64 4.857 0.375 -18.233 1.00 0.00 N ATOM 0 H LYS A 64 3.444 1.925 -12.486 1.00 0.00 H new ATOM 0 HA LYS A 64 1.304 0.076 -12.799 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.311 -0.097 -13.201 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.187 -1.355 -13.675 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.061 0.178 -15.226 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.079 1.504 -14.699 1.00 0.00 H new ATOM 0 HD2 LYS A 64 5.087 0.331 -15.538 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.110 -1.046 -16.005 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.841 0.362 -17.596 1.00 0.00 H new ATOM 0 HE3 LYS A 64 3.751 1.774 -17.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.626 0.841 -19.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.780 0.714 -17.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.898 -0.654 -18.377 1.00 0.00 H new ATOM 1068 N GLN A 65 3.441 -0.396 -10.369 1.00 0.00 N ATOM 1069 CA GLN A 65 3.667 -1.140 -9.141 1.00 0.00 C ATOM 1070 C GLN A 65 2.529 -0.900 -8.156 1.00 0.00 C ATOM 1071 O GLN A 65 2.033 -1.840 -7.534 1.00 0.00 O ATOM 1072 CB GLN A 65 5.005 -0.746 -8.514 1.00 0.00 C ATOM 1073 CG GLN A 65 6.206 -1.019 -9.410 1.00 0.00 C ATOM 1074 CD GLN A 65 6.583 -2.494 -9.508 1.00 0.00 C ATOM 1075 OE1 GLN A 65 5.611 -3.390 -9.372 1.00 0.00 O flip ATOM 1076 NE2 GLN A 65 7.751 -2.822 -9.708 1.00 0.00 N flip ATOM 0 H GLN A 65 4.087 0.379 -10.518 1.00 0.00 H new ATOM 0 HA GLN A 65 3.698 -2.202 -9.383 1.00 0.00 H new ATOM 0 HB2 GLN A 65 4.982 0.315 -8.267 1.00 0.00 H new ATOM 0 HB3 GLN A 65 5.131 -1.289 -7.577 1.00 0.00 H new ATOM 0 HG2 GLN A 65 5.994 -0.641 -10.410 1.00 0.00 H new ATOM 0 HG3 GLN A 65 7.062 -0.460 -9.033 1.00 0.00 H new ATOM 0 HE21 GLN A 65 8.472 -2.107 -9.808 1.00 0.00 H new ATOM 0 HE22 GLN A 65 7.999 -3.809 -9.774 1.00 0.00 H new ATOM 1085 N VAL A 66 2.102 0.356 -8.035 1.00 0.00 N ATOM 1086 CA VAL A 66 1.018 0.699 -7.117 1.00 0.00 C ATOM 1087 C VAL A 66 -0.306 0.128 -7.623 1.00 0.00 C ATOM 1088 O VAL A 66 -1.112 -0.386 -6.847 1.00 0.00 O ATOM 1089 CB VAL A 66 0.898 2.231 -6.909 1.00 0.00 C ATOM 1090 CG1 VAL A 66 -0.235 2.554 -5.948 1.00 0.00 C ATOM 1091 CG2 VAL A 66 2.215 2.794 -6.389 1.00 0.00 C ATOM 0 H VAL A 66 2.485 1.145 -8.555 1.00 0.00 H new ATOM 0 HA VAL A 66 1.255 0.254 -6.150 1.00 0.00 H new ATOM 0 HB VAL A 66 0.673 2.696 -7.869 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.303 3.634 -5.815 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.174 2.179 -6.354 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.041 2.082 -4.985 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.120 3.870 -6.247 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.462 2.323 -5.438 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.007 2.592 -7.110 1.00 0.00 H new ATOM 1101 N LYS A 67 -0.498 0.187 -8.935 1.00 0.00 N ATOM 1102 CA LYS A 67 -1.706 -0.331 -9.571 1.00 0.00 C ATOM 1103 C LYS A 67 -1.816 -1.841 -9.384 1.00 0.00 C ATOM 1104 O LYS A 67 -2.857 -2.355 -8.974 1.00 0.00 O ATOM 1105 CB LYS A 67 -1.696 0.000 -11.065 1.00 0.00 C ATOM 1106 CG LYS A 67 -3.010 -0.271 -11.777 1.00 0.00 C ATOM 1107 CD LYS A 67 -2.831 -0.236 -13.285 1.00 0.00 C ATOM 1108 CE LYS A 67 -4.164 -0.286 -14.011 1.00 0.00 C ATOM 1109 NZ LYS A 67 -4.882 1.015 -13.944 1.00 0.00 N ATOM 0 H LYS A 67 0.174 0.593 -9.586 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.567 0.142 -9.098 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.439 1.052 -11.190 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.909 -0.579 -11.548 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.396 -1.245 -11.476 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.749 0.472 -11.478 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.297 0.671 -13.567 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -2.215 -1.079 -13.598 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.999 -0.556 -15.054 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.786 -1.067 -13.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.428 1.156 -14.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.528 1.014 -13.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.193 1.787 -13.838 1.00 0.00 H new ATOM 1123 N THR A 68 -0.733 -2.541 -9.684 1.00 0.00 N ATOM 1124 CA THR A 68 -0.709 -3.998 -9.610 1.00 0.00 C ATOM 1125 C THR A 68 -0.903 -4.483 -8.175 1.00 0.00 C ATOM 1126 O THR A 68 -1.714 -5.377 -7.921 1.00 0.00 O ATOM 1127 CB THR A 68 0.609 -4.564 -10.175 1.00 0.00 C ATOM 1128 OG1 THR A 68 0.806 -4.088 -11.510 1.00 0.00 O ATOM 1129 CG2 THR A 68 0.597 -6.089 -10.176 1.00 0.00 C ATOM 0 H THR A 68 0.148 -2.122 -9.983 1.00 0.00 H new ATOM 0 HA THR A 68 -1.537 -4.363 -10.218 1.00 0.00 H new ATOM 0 HB THR A 68 1.425 -4.226 -9.537 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.359 -3.279 -11.491 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.539 -6.460 -10.580 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.471 -6.453 -9.156 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.228 -6.446 -10.793 1.00 0.00 H new ATOM 1137 N TRP A 69 -0.173 -3.881 -7.240 1.00 0.00 N ATOM 1138 CA TRP A 69 -0.284 -4.247 -5.833 1.00 0.00 C ATOM 1139 C TRP A 69 -1.714 -4.040 -5.349 1.00 0.00 C ATOM 1140 O TRP A 69 -2.309 -4.927 -4.732 1.00 0.00 O ATOM 1141 CB TRP A 69 0.690 -3.418 -4.985 1.00 0.00 C ATOM 1142 CG TRP A 69 0.670 -3.770 -3.528 1.00 0.00 C ATOM 1143 CD1 TRP A 69 1.268 -4.847 -2.940 1.00 0.00 C ATOM 1144 CD2 TRP A 69 0.030 -3.041 -2.474 1.00 0.00 C ATOM 1145 NE1 TRP A 69 1.034 -4.836 -1.587 1.00 0.00 N ATOM 1146 CE2 TRP A 69 0.276 -3.737 -1.277 1.00 0.00 C ATOM 1147 CE3 TRP A 69 -0.728 -1.868 -2.430 1.00 0.00 C ATOM 1148 CZ2 TRP A 69 -0.209 -3.298 -0.046 1.00 0.00 C ATOM 1149 CZ3 TRP A 69 -1.208 -1.434 -1.210 1.00 0.00 C ATOM 1150 CH2 TRP A 69 -0.949 -2.148 -0.035 1.00 0.00 C ATOM 0 H TRP A 69 0.500 -3.139 -7.432 1.00 0.00 H new ATOM 0 HA TRP A 69 -0.025 -5.300 -5.725 1.00 0.00 H new ATOM 0 HB2 TRP A 69 1.701 -3.556 -5.369 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.448 -2.361 -5.098 1.00 0.00 H new ATOM 0 HD1 TRP A 69 1.842 -5.598 -3.463 1.00 0.00 H new ATOM 0 HE1 TRP A 69 1.370 -5.532 -0.921 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -0.934 -1.312 -3.332 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 -0.008 -3.845 0.863 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -1.793 -0.528 -1.162 1.00 0.00 H new ATOM 0 HH2 TRP A 69 -1.342 -1.783 0.902 1.00 0.00 H new ATOM 1161 N PHE A 70 -2.261 -2.870 -5.658 1.00 0.00 N ATOM 1162 CA PHE A 70 -3.631 -2.538 -5.296 1.00 0.00 C ATOM 1163 C PHE A 70 -4.616 -3.563 -5.852 1.00 0.00 C ATOM 1164 O PHE A 70 -5.429 -4.110 -5.111 1.00 0.00 O ATOM 1165 CB PHE A 70 -3.980 -1.136 -5.809 1.00 0.00 C ATOM 1166 CG PHE A 70 -5.453 -0.837 -5.814 1.00 0.00 C ATOM 1167 CD1 PHE A 70 -6.159 -0.737 -4.629 1.00 0.00 C ATOM 1168 CD2 PHE A 70 -6.130 -0.670 -7.012 1.00 0.00 C ATOM 1169 CE1 PHE A 70 -7.512 -0.471 -4.638 1.00 0.00 C ATOM 1170 CE2 PHE A 70 -7.486 -0.404 -7.025 1.00 0.00 C ATOM 1171 CZ PHE A 70 -8.178 -0.306 -5.836 1.00 0.00 C ATOM 0 H PHE A 70 -1.771 -2.131 -6.162 1.00 0.00 H new ATOM 0 HA PHE A 70 -3.709 -2.555 -4.209 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -3.472 -0.397 -5.190 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -3.593 -1.024 -6.822 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.646 -0.868 -3.688 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.592 -0.749 -7.945 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -8.052 -0.392 -3.706 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -8.003 -0.273 -7.964 1.00 0.00 H new ATOM 0 HZ PHE A 70 -9.238 -0.101 -5.842 1.00 0.00 H new ATOM 1181 N GLN A 71 -4.524 -3.832 -7.150 1.00 0.00 N ATOM 1182 CA GLN A 71 -5.459 -4.733 -7.818 1.00 0.00 C ATOM 1183 C GLN A 71 -5.363 -6.149 -7.246 1.00 0.00 C ATOM 1184 O GLN A 71 -6.372 -6.841 -7.100 1.00 0.00 O ATOM 1185 CB GLN A 71 -5.192 -4.749 -9.327 1.00 0.00 C ATOM 1186 CG GLN A 71 -6.238 -5.509 -10.127 1.00 0.00 C ATOM 1187 CD GLN A 71 -7.636 -4.958 -9.925 1.00 0.00 C ATOM 1188 OE1 GLN A 71 -8.343 -5.483 -8.935 1.00 0.00 O flip ATOM 1189 NE2 GLN A 71 -8.075 -4.069 -10.647 1.00 0.00 N flip ATOM 0 H GLN A 71 -3.810 -3.438 -7.763 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.470 -4.366 -7.641 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -5.146 -3.722 -9.689 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -4.214 -5.195 -9.509 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -5.983 -5.466 -11.186 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.220 -6.560 -9.838 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.498 -3.691 -11.399 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -9.017 -3.707 -10.496 1.00 0.00 H new ATOM 1198 N ASN A 72 -4.149 -6.559 -6.907 1.00 0.00 N ATOM 1199 CA ASN A 72 -3.900 -7.885 -6.352 1.00 0.00 C ATOM 1200 C ASN A 72 -4.516 -8.003 -4.966 1.00 0.00 C ATOM 1201 O ASN A 72 -5.261 -8.942 -4.688 1.00 0.00 O ATOM 1202 CB ASN A 72 -2.394 -8.167 -6.285 1.00 0.00 C ATOM 1203 CG ASN A 72 -2.068 -9.491 -5.610 1.00 0.00 C ATOM 1204 OD1 ASN A 72 -2.034 -10.539 -6.253 1.00 0.00 O ATOM 1205 ND2 ASN A 72 -1.812 -9.453 -4.308 1.00 0.00 N ATOM 0 H ASN A 72 -3.311 -5.986 -7.008 1.00 0.00 H new ATOM 0 HA ASN A 72 -4.363 -8.623 -7.007 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.985 -8.170 -7.295 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.902 -7.359 -5.744 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -1.578 -10.311 -3.809 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -1.849 -8.566 -3.807 1.00 0.00 H new ATOM 1212 N GLN A 73 -4.213 -7.037 -4.105 1.00 0.00 N ATOM 1213 CA GLN A 73 -4.766 -7.013 -2.756 1.00 0.00 C ATOM 1214 C GLN A 73 -6.281 -6.875 -2.815 1.00 0.00 C ATOM 1215 O GLN A 73 -7.002 -7.465 -2.016 1.00 0.00 O ATOM 1216 CB GLN A 73 -4.167 -5.859 -1.951 1.00 0.00 C ATOM 1217 CG GLN A 73 -2.659 -5.960 -1.767 1.00 0.00 C ATOM 1218 CD GLN A 73 -2.237 -7.225 -1.043 1.00 0.00 C ATOM 1219 OE1 GLN A 73 -1.984 -8.260 -1.663 1.00 0.00 O ATOM 1220 NE2 GLN A 73 -2.150 -7.152 0.276 1.00 0.00 N ATOM 0 H GLN A 73 -3.587 -6.260 -4.318 1.00 0.00 H new ATOM 0 HA GLN A 73 -4.512 -7.951 -2.261 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -4.401 -4.919 -2.451 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -4.642 -5.826 -0.971 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -2.176 -5.928 -2.743 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -2.307 -5.093 -1.208 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -2.368 -6.277 0.754 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -1.865 -7.970 0.814 1.00 0.00 H new ATOM 1229 N ARG A 74 -6.751 -6.100 -3.783 1.00 0.00 N ATOM 1230 CA ARG A 74 -8.177 -5.901 -3.998 1.00 0.00 C ATOM 1231 C ARG A 74 -8.847 -7.226 -4.361 1.00 0.00 C ATOM 1232 O ARG A 74 -9.959 -7.506 -3.924 1.00 0.00 O ATOM 1233 CB ARG A 74 -8.381 -4.857 -5.108 1.00 0.00 C ATOM 1234 CG ARG A 74 -9.800 -4.323 -5.265 1.00 0.00 C ATOM 1235 CD ARG A 74 -10.670 -5.233 -6.116 1.00 0.00 C ATOM 1236 NE ARG A 74 -11.854 -4.535 -6.613 1.00 0.00 N ATOM 1237 CZ ARG A 74 -12.700 -5.036 -7.508 1.00 0.00 C ATOM 1238 NH1 ARG A 74 -12.540 -6.271 -7.971 1.00 0.00 N ATOM 1239 NH2 ARG A 74 -13.719 -4.306 -7.938 1.00 0.00 N ATOM 0 H ARG A 74 -6.157 -5.593 -4.439 1.00 0.00 H new ATOM 0 HA ARG A 74 -8.638 -5.534 -3.081 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -7.716 -4.015 -4.916 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.072 -5.297 -6.056 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.253 -4.208 -4.280 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -9.764 -3.332 -5.717 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -10.089 -5.610 -6.958 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -10.977 -6.098 -5.528 1.00 0.00 H new ATOM 0 HE ARG A 74 -12.044 -3.601 -6.249 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -11.763 -6.843 -7.640 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -13.194 -6.647 -8.657 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -13.854 -3.360 -7.582 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -14.368 -4.690 -8.625 1.00 0.00 H new ATOM 1253 N MET A 75 -8.172 -8.035 -5.170 1.00 0.00 N ATOM 1254 CA MET A 75 -8.728 -9.325 -5.571 1.00 0.00 C ATOM 1255 C MET A 75 -8.580 -10.386 -4.476 1.00 0.00 C ATOM 1256 O MET A 75 -9.513 -11.153 -4.222 1.00 0.00 O ATOM 1257 CB MET A 75 -8.105 -9.802 -6.884 1.00 0.00 C ATOM 1258 CG MET A 75 -8.620 -9.040 -8.097 1.00 0.00 C ATOM 1259 SD MET A 75 -7.945 -9.636 -9.661 1.00 0.00 S ATOM 1260 CE MET A 75 -6.243 -9.094 -9.539 1.00 0.00 C ATOM 0 H MET A 75 -7.252 -7.826 -5.557 1.00 0.00 H new ATOM 0 HA MET A 75 -9.796 -9.178 -5.729 1.00 0.00 H new ATOM 0 HB2 MET A 75 -7.022 -9.694 -6.827 1.00 0.00 H new ATOM 0 HB3 MET A 75 -8.313 -10.864 -7.014 1.00 0.00 H new ATOM 0 HG2 MET A 75 -9.707 -9.114 -8.128 1.00 0.00 H new ATOM 0 HG3 MET A 75 -8.375 -7.984 -7.984 1.00 0.00 H new ATOM 0 HE1 MET A 75 -5.936 -8.643 -10.483 1.00 0.00 H new ATOM 0 HE2 MET A 75 -6.152 -8.359 -8.739 1.00 0.00 H new ATOM 0 HE3 MET A 75 -5.604 -9.949 -9.321 1.00 0.00 H new ATOM 1270 N LYS A 76 -7.428 -10.417 -3.809 1.00 0.00 N ATOM 1271 CA LYS A 76 -7.155 -11.450 -2.806 1.00 0.00 C ATOM 1272 C LYS A 76 -7.933 -11.230 -1.511 1.00 0.00 C ATOM 1273 O LYS A 76 -8.146 -12.172 -0.748 1.00 0.00 O ATOM 1274 CB LYS A 76 -5.656 -11.544 -2.496 1.00 0.00 C ATOM 1275 CG LYS A 76 -4.837 -12.153 -3.622 1.00 0.00 C ATOM 1276 CD LYS A 76 -3.420 -12.486 -3.174 1.00 0.00 C ATOM 1277 CE LYS A 76 -2.641 -13.180 -4.283 1.00 0.00 C ATOM 1278 NZ LYS A 76 -1.279 -13.592 -3.853 1.00 0.00 N ATOM 0 H LYS A 76 -6.672 -9.745 -3.942 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.491 -12.390 -3.243 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.275 -10.546 -2.280 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.517 -12.140 -1.594 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -5.327 -13.058 -3.980 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -4.799 -11.458 -4.461 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.904 -11.572 -2.881 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.455 -13.128 -2.294 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -3.194 -14.058 -4.616 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.561 -12.511 -5.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.792 -14.059 -4.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.739 -12.753 -3.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.352 -14.253 -3.053 1.00 0.00 H new