USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=14 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= -0.0982 K(o=-0.16,f=-3.4) USER MOD Set 1.2: A 75 MET CE :methyl -137:sc= -0.059 (180deg=-0.0133) USER MOD Set 1.3: A 76 LYS NZ :NH3+ -168:sc=-0.00156 (180deg=0.0749) USER MOD Set 2.1: A 48 SER OG : rot 180:sc= 0.806 USER MOD Set 2.2: A 51 GLN : amide:sc= -4.03! K(o=-3.2!,f=1.5) USER MOD Single : A 30 SER OG : rot 37:sc= 0.19 USER MOD Single : A 31 SER OG : rot 180:sc= 0.0555 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.00689 USER MOD Single : A 33 GLN : amide:sc= -0.318 X(o=-0.32,f=0) USER MOD Single : A 35 CYS SG : rot 76:sc= 1.18 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 42 GLN : amide:sc= -0.0746 X(o=-0.075,f=-0.023) USER MOD Single : A 44 GLN : amide:sc= -0.183 X(o=-0.18,f=-0.013) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.987 K(o=-0.99,f=-2.4) USER MOD Single : A 52 MET CE :methyl 140:sc= -0.525 (180deg=-1.14) USER MOD Single : A 53 GLN : amide:sc= -0.463 X(o=-0.46,f=0) USER MOD Single : A 56 SER OG : rot 13:sc= 0.871 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 60 ASN : amide:sc= -1.73! K(o=-1.7!,f=-0.043) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0166 USER MOD Single : A 63 TYR OH : rot -48:sc= 0.0299 USER MOD Single : A 64 LYS NZ :NH3+ 161:sc= -0.0546 (180deg=-0.33) USER MOD Single : A 65 GLN : amide:sc= -0.0911 X(o=-0.091,f=-0.08) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 98:sc= 1.26 USER MOD Single : A 71 GLN : amide:sc= -0.207 X(o=-0.21,f=-0.048) USER MOD Single : A 73 GLN : amide:sc= -0.0798 K(o=-0.08,f=-0.69) USER MOD ----------------------------------------------------------------- ATOM 478 N SER A 30 8.301 -0.386 4.441 1.00 0.00 N ATOM 479 CA SER A 30 8.777 0.484 5.501 1.00 0.00 C ATOM 480 C SER A 30 7.613 0.893 6.398 1.00 0.00 C ATOM 481 O SER A 30 6.459 0.885 5.959 1.00 0.00 O ATOM 482 CB SER A 30 9.446 1.718 4.897 1.00 0.00 C ATOM 483 OG SER A 30 10.422 1.345 3.938 1.00 0.00 O ATOM 0 HA SER A 30 9.510 -0.051 6.104 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.693 2.352 4.428 1.00 0.00 H new ATOM 0 HB3 SER A 30 9.912 2.307 5.687 1.00 0.00 H new ATOM 0 HG SER A 30 10.109 0.561 3.440 1.00 0.00 H new ATOM 489 N SER A 31 7.920 1.247 7.643 1.00 0.00 N ATOM 490 CA SER A 31 6.904 1.669 8.601 1.00 0.00 C ATOM 491 C SER A 31 6.067 2.807 8.022 1.00 0.00 C ATOM 492 O SER A 31 4.842 2.820 8.143 1.00 0.00 O ATOM 493 CB SER A 31 7.583 2.127 9.890 1.00 0.00 C ATOM 494 OG SER A 31 8.713 1.314 10.181 1.00 0.00 O ATOM 0 H SER A 31 8.871 1.250 8.013 1.00 0.00 H new ATOM 0 HA SER A 31 6.244 0.828 8.815 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.893 3.168 9.793 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.874 2.081 10.716 1.00 0.00 H new ATOM 0 HG SER A 31 9.135 1.625 11.009 1.00 0.00 H new ATOM 500 N THR A 32 6.744 3.742 7.363 1.00 0.00 N ATOM 501 CA THR A 32 6.092 4.879 6.736 1.00 0.00 C ATOM 502 C THR A 32 5.131 4.423 5.643 1.00 0.00 C ATOM 503 O THR A 32 3.991 4.877 5.575 1.00 0.00 O ATOM 504 CB THR A 32 7.139 5.821 6.120 1.00 0.00 C ATOM 505 OG1 THR A 32 8.079 5.058 5.350 1.00 0.00 O ATOM 506 CG2 THR A 32 7.880 6.596 7.194 1.00 0.00 C ATOM 0 H THR A 32 7.758 3.730 7.251 1.00 0.00 H new ATOM 0 HA THR A 32 5.530 5.406 7.507 1.00 0.00 H new ATOM 0 HB THR A 32 6.620 6.533 5.478 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.745 5.660 4.957 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.614 7.254 6.728 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.170 7.193 7.767 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.389 5.899 7.860 1.00 0.00 H new ATOM 514 N GLN A 33 5.602 3.498 4.813 1.00 0.00 N ATOM 515 CA GLN A 33 4.846 3.025 3.662 1.00 0.00 C ATOM 516 C GLN A 33 3.567 2.314 4.103 1.00 0.00 C ATOM 517 O GLN A 33 2.501 2.531 3.529 1.00 0.00 O ATOM 518 CB GLN A 33 5.726 2.096 2.816 1.00 0.00 C ATOM 519 CG GLN A 33 5.090 1.641 1.513 1.00 0.00 C ATOM 520 CD GLN A 33 6.075 0.913 0.621 1.00 0.00 C ATOM 521 OE1 GLN A 33 6.236 -0.300 0.710 1.00 0.00 O ATOM 522 NE2 GLN A 33 6.743 1.656 -0.248 1.00 0.00 N ATOM 0 H GLN A 33 6.516 3.057 4.920 1.00 0.00 H new ATOM 0 HA GLN A 33 4.552 3.882 3.056 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.661 2.608 2.590 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.979 1.217 3.409 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.247 0.986 1.731 1.00 0.00 H new ATOM 0 HG3 GLN A 33 4.692 2.506 0.983 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.580 2.662 -0.290 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.421 1.222 -0.875 1.00 0.00 H new ATOM 531 N LEU A 34 3.674 1.486 5.136 1.00 0.00 N ATOM 532 CA LEU A 34 2.515 0.782 5.678 1.00 0.00 C ATOM 533 C LEU A 34 1.490 1.770 6.226 1.00 0.00 C ATOM 534 O LEU A 34 0.285 1.605 6.028 1.00 0.00 O ATOM 535 CB LEU A 34 2.946 -0.189 6.778 1.00 0.00 C ATOM 536 CG LEU A 34 3.780 -1.378 6.303 1.00 0.00 C ATOM 537 CD1 LEU A 34 4.261 -2.202 7.485 1.00 0.00 C ATOM 538 CD2 LEU A 34 2.973 -2.245 5.346 1.00 0.00 C ATOM 0 H LEU A 34 4.551 1.285 5.616 1.00 0.00 H new ATOM 0 HA LEU A 34 2.053 0.216 4.869 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.519 0.362 7.524 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.054 -0.567 7.277 1.00 0.00 H new ATOM 0 HG LEU A 34 4.652 -0.995 5.774 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.853 -3.044 7.125 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.874 -1.580 8.137 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.402 -2.575 8.042 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.582 -3.087 5.017 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.083 -2.617 5.854 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.676 -1.652 4.481 1.00 0.00 H new ATOM 550 N CYS A 35 1.980 2.801 6.904 1.00 0.00 N ATOM 551 CA CYS A 35 1.112 3.827 7.459 1.00 0.00 C ATOM 552 C CYS A 35 0.384 4.584 6.350 1.00 0.00 C ATOM 553 O CYS A 35 -0.796 4.882 6.479 1.00 0.00 O ATOM 554 CB CYS A 35 1.911 4.798 8.329 1.00 0.00 C ATOM 555 SG CYS A 35 2.681 4.033 9.775 1.00 0.00 S ATOM 0 H CYS A 35 2.974 2.947 7.082 1.00 0.00 H new ATOM 0 HA CYS A 35 0.367 3.334 8.084 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.687 5.260 7.719 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.250 5.598 8.663 1.00 0.00 H new ATOM 0 HG CYS A 35 3.723 3.351 9.402 1.00 0.00 H new ATOM 561 N VAL A 36 1.086 4.874 5.258 1.00 0.00 N ATOM 562 CA VAL A 36 0.484 5.579 4.126 1.00 0.00 C ATOM 563 C VAL A 36 -0.580 4.716 3.445 1.00 0.00 C ATOM 564 O VAL A 36 -1.626 5.214 3.026 1.00 0.00 O ATOM 565 CB VAL A 36 1.543 6.001 3.083 1.00 0.00 C ATOM 566 CG1 VAL A 36 0.891 6.703 1.903 1.00 0.00 C ATOM 567 CG2 VAL A 36 2.589 6.901 3.718 1.00 0.00 C ATOM 0 H VAL A 36 2.069 4.633 5.131 1.00 0.00 H new ATOM 0 HA VAL A 36 0.017 6.478 4.529 1.00 0.00 H new ATOM 0 HB VAL A 36 2.034 5.099 2.717 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.657 6.990 1.182 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.179 6.029 1.427 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.369 7.594 2.253 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.326 7.188 2.968 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.108 7.795 4.114 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.085 6.367 4.528 1.00 0.00 H new ATOM 577 N LEU A 37 -0.312 3.422 3.341 1.00 0.00 N ATOM 578 CA LEU A 37 -1.274 2.499 2.756 1.00 0.00 C ATOM 579 C LEU A 37 -2.539 2.440 3.610 1.00 0.00 C ATOM 580 O LEU A 37 -3.656 2.472 3.089 1.00 0.00 O ATOM 581 CB LEU A 37 -0.661 1.105 2.609 1.00 0.00 C ATOM 582 CG LEU A 37 0.536 1.023 1.656 1.00 0.00 C ATOM 583 CD1 LEU A 37 1.109 -0.385 1.624 1.00 0.00 C ATOM 584 CD2 LEU A 37 0.136 1.462 0.256 1.00 0.00 C ATOM 0 H LEU A 37 0.558 2.990 3.652 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.542 2.861 1.763 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.348 0.756 3.593 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.433 0.420 2.259 1.00 0.00 H new ATOM 0 HG LEU A 37 1.308 1.698 2.026 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.957 -0.417 0.940 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.438 -0.667 2.624 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.343 -1.082 1.284 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.999 1.397 -0.406 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.657 0.813 -0.116 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.222 2.491 0.286 1.00 0.00 H new ATOM 596 N ASN A 38 -2.355 2.376 4.924 1.00 0.00 N ATOM 597 CA ASN A 38 -3.480 2.394 5.855 1.00 0.00 C ATOM 598 C ASN A 38 -4.170 3.751 5.829 1.00 0.00 C ATOM 599 O ASN A 38 -5.389 3.836 5.919 1.00 0.00 O ATOM 600 CB ASN A 38 -3.009 2.089 7.276 1.00 0.00 C ATOM 601 CG ASN A 38 -4.161 1.952 8.256 1.00 0.00 C ATOM 602 OD1 ASN A 38 -4.619 2.933 8.845 1.00 0.00 O ATOM 603 ND2 ASN A 38 -4.618 0.726 8.456 1.00 0.00 N ATOM 0 H ASN A 38 -1.440 2.311 5.369 1.00 0.00 H new ATOM 0 HA ASN A 38 -4.187 1.626 5.543 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -2.428 1.167 7.272 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -2.343 2.884 7.613 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -5.377 0.566 9.118 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -4.211 -0.059 7.948 1.00 0.00 H new ATOM 610 N ASP A 39 -3.369 4.800 5.678 1.00 0.00 N ATOM 611 CA ASP A 39 -3.855 6.178 5.646 1.00 0.00 C ATOM 612 C ASP A 39 -4.952 6.336 4.601 1.00 0.00 C ATOM 613 O ASP A 39 -5.994 6.949 4.856 1.00 0.00 O ATOM 614 CB ASP A 39 -2.680 7.116 5.330 1.00 0.00 C ATOM 615 CG ASP A 39 -3.077 8.571 5.195 1.00 0.00 C ATOM 616 OD1 ASP A 39 -3.537 8.972 4.104 1.00 0.00 O ATOM 617 OD2 ASP A 39 -2.912 9.327 6.180 1.00 0.00 O ATOM 0 H ASP A 39 -2.358 4.719 5.574 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.277 6.433 6.618 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.933 7.025 6.118 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.207 6.791 4.403 1.00 0.00 H new ATOM 622 N ARG A 40 -4.719 5.749 3.438 1.00 0.00 N ATOM 623 CA ARG A 40 -5.673 5.813 2.343 1.00 0.00 C ATOM 624 C ARG A 40 -6.851 4.874 2.571 1.00 0.00 C ATOM 625 O ARG A 40 -7.996 5.297 2.527 1.00 0.00 O ATOM 626 CB ARG A 40 -4.990 5.477 1.018 1.00 0.00 C ATOM 627 CG ARG A 40 -4.666 6.698 0.169 1.00 0.00 C ATOM 628 CD ARG A 40 -3.782 7.693 0.900 1.00 0.00 C ATOM 629 NE ARG A 40 -3.465 8.840 0.056 1.00 0.00 N ATOM 630 CZ ARG A 40 -3.129 10.040 0.523 1.00 0.00 C ATOM 631 NH1 ARG A 40 -3.072 10.263 1.834 1.00 0.00 N ATOM 632 NH2 ARG A 40 -2.852 11.029 -0.324 1.00 0.00 N ATOM 0 H ARG A 40 -3.873 5.220 3.228 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.055 6.833 2.302 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.068 4.933 1.223 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.634 4.809 0.447 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.169 6.379 -0.747 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.594 7.189 -0.126 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.285 8.033 1.805 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.860 7.203 1.212 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.503 8.714 -0.955 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.287 9.511 2.489 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.814 11.186 2.184 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.897 10.867 -1.330 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.594 11.949 0.033 1.00 0.00 H new ATOM 646 N PHE A 41 -6.558 3.612 2.853 1.00 0.00 N ATOM 647 CA PHE A 41 -7.594 2.584 2.942 1.00 0.00 C ATOM 648 C PHE A 41 -8.490 2.761 4.166 1.00 0.00 C ATOM 649 O PHE A 41 -9.600 2.232 4.210 1.00 0.00 O ATOM 650 CB PHE A 41 -6.970 1.190 2.931 1.00 0.00 C ATOM 651 CG PHE A 41 -6.517 0.789 1.562 1.00 0.00 C ATOM 652 CD1 PHE A 41 -7.375 0.928 0.490 1.00 0.00 C ATOM 653 CD2 PHE A 41 -5.246 0.286 1.342 1.00 0.00 C ATOM 654 CE1 PHE A 41 -6.980 0.579 -0.777 1.00 0.00 C ATOM 655 CE2 PHE A 41 -4.841 -0.069 0.072 1.00 0.00 C ATOM 656 CZ PHE A 41 -5.712 0.076 -0.991 1.00 0.00 C ATOM 0 H PHE A 41 -5.612 3.272 3.025 1.00 0.00 H new ATOM 0 HA PHE A 41 -8.229 2.696 2.063 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -6.121 1.167 3.615 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -7.696 0.465 3.300 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -8.370 1.316 0.650 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.565 0.170 2.172 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -7.661 0.698 -1.607 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.847 -0.459 -0.091 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.402 -0.203 -1.987 1.00 0.00 H new ATOM 666 N GLN A 42 -8.009 3.482 5.167 1.00 0.00 N ATOM 667 CA GLN A 42 -8.795 3.697 6.373 1.00 0.00 C ATOM 668 C GLN A 42 -9.849 4.779 6.140 1.00 0.00 C ATOM 669 O GLN A 42 -10.999 4.634 6.558 1.00 0.00 O ATOM 670 CB GLN A 42 -7.875 4.076 7.545 1.00 0.00 C ATOM 671 CG GLN A 42 -8.495 3.901 8.927 1.00 0.00 C ATOM 672 CD GLN A 42 -9.190 5.147 9.448 1.00 0.00 C ATOM 673 OE1 GLN A 42 -8.567 5.993 10.087 1.00 0.00 O ATOM 674 NE2 GLN A 42 -10.482 5.264 9.187 1.00 0.00 N ATOM 0 H GLN A 42 -7.090 3.924 5.170 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.311 2.770 6.624 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.970 3.471 7.489 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.570 5.116 7.428 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -9.214 3.083 8.892 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.715 3.610 9.631 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -10.962 4.539 8.653 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -10.998 6.079 9.520 1.00 0.00 H new ATOM 683 N ARG A 43 -9.460 5.853 5.457 1.00 0.00 N ATOM 684 CA ARG A 43 -10.353 6.996 5.271 1.00 0.00 C ATOM 685 C ARG A 43 -10.990 6.990 3.884 1.00 0.00 C ATOM 686 O ARG A 43 -11.879 7.793 3.594 1.00 0.00 O ATOM 687 CB ARG A 43 -9.591 8.301 5.489 1.00 0.00 C ATOM 688 CG ARG A 43 -8.892 8.366 6.837 1.00 0.00 C ATOM 689 CD ARG A 43 -8.190 9.695 7.037 1.00 0.00 C ATOM 690 NE ARG A 43 -7.309 9.678 8.202 1.00 0.00 N ATOM 691 CZ ARG A 43 -5.980 9.652 8.121 1.00 0.00 C ATOM 692 NH1 ARG A 43 -5.393 9.610 6.932 1.00 0.00 N ATOM 693 NH2 ARG A 43 -5.247 9.662 9.226 1.00 0.00 N ATOM 0 H ARG A 43 -8.541 5.957 5.026 1.00 0.00 H new ATOM 0 HA ARG A 43 -11.152 6.916 6.008 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.851 8.419 4.697 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -10.284 9.138 5.405 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.621 8.215 7.633 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -8.167 7.556 6.911 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.609 9.936 6.147 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.933 10.483 7.156 1.00 0.00 H new ATOM 0 HE ARG A 43 -7.735 9.687 9.129 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -5.959 9.598 6.084 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -4.375 9.590 6.866 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -5.701 9.690 10.139 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -4.229 9.642 9.163 1.00 0.00 H new ATOM 707 N GLN A 44 -10.518 6.096 3.034 1.00 0.00 N ATOM 708 CA GLN A 44 -11.070 5.923 1.703 1.00 0.00 C ATOM 709 C GLN A 44 -11.243 4.432 1.449 1.00 0.00 C ATOM 710 O GLN A 44 -10.355 3.648 1.766 1.00 0.00 O ATOM 711 CB GLN A 44 -10.127 6.528 0.656 1.00 0.00 C ATOM 712 CG GLN A 44 -10.811 6.964 -0.629 1.00 0.00 C ATOM 713 CD GLN A 44 -11.573 8.263 -0.463 1.00 0.00 C ATOM 714 OE1 GLN A 44 -11.025 9.347 -0.665 1.00 0.00 O ATOM 715 NE2 GLN A 44 -12.842 8.167 -0.109 1.00 0.00 N ATOM 0 H GLN A 44 -9.742 5.470 3.247 1.00 0.00 H new ATOM 0 HA GLN A 44 -12.032 6.431 1.629 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -9.622 7.389 1.094 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -9.357 5.796 0.413 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -10.064 7.082 -1.414 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -11.497 6.182 -0.956 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -13.259 7.250 0.049 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -13.405 9.010 0.006 1.00 0.00 H new ATOM 724 N LYS A 45 -12.371 4.042 0.875 1.00 0.00 N ATOM 725 CA LYS A 45 -12.679 2.625 0.691 1.00 0.00 C ATOM 726 C LYS A 45 -11.686 1.963 -0.256 1.00 0.00 C ATOM 727 O LYS A 45 -11.274 0.826 -0.040 1.00 0.00 O ATOM 728 CB LYS A 45 -14.104 2.454 0.167 1.00 0.00 C ATOM 729 CG LYS A 45 -15.167 2.896 1.160 1.00 0.00 C ATOM 730 CD LYS A 45 -16.556 2.849 0.547 1.00 0.00 C ATOM 731 CE LYS A 45 -17.618 3.267 1.551 1.00 0.00 C ATOM 732 NZ LYS A 45 -18.961 3.371 0.927 1.00 0.00 N ATOM 0 H LYS A 45 -13.087 4.680 0.529 1.00 0.00 H new ATOM 0 HA LYS A 45 -12.598 2.136 1.662 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.216 3.027 -0.754 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.267 1.407 -0.087 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -15.134 2.253 2.040 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.952 3.910 1.498 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.595 3.507 -0.321 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -16.765 1.840 0.192 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -17.652 2.544 2.366 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -17.346 4.228 1.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -19.656 3.658 1.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -18.936 4.080 0.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -19.233 2.448 0.532 1.00 0.00 H new ATOM 746 N TYR A 46 -11.294 2.687 -1.298 1.00 0.00 N ATOM 747 CA TYR A 46 -10.352 2.173 -2.281 1.00 0.00 C ATOM 748 C TYR A 46 -9.554 3.310 -2.899 1.00 0.00 C ATOM 749 O TYR A 46 -9.915 4.480 -2.765 1.00 0.00 O ATOM 750 CB TYR A 46 -11.073 1.392 -3.388 1.00 0.00 C ATOM 751 CG TYR A 46 -11.600 0.046 -2.949 1.00 0.00 C ATOM 752 CD1 TYR A 46 -10.729 -0.972 -2.575 1.00 0.00 C ATOM 753 CD2 TYR A 46 -12.966 -0.209 -2.912 1.00 0.00 C ATOM 754 CE1 TYR A 46 -11.206 -2.206 -2.175 1.00 0.00 C ATOM 755 CE2 TYR A 46 -13.450 -1.439 -2.513 1.00 0.00 C ATOM 756 CZ TYR A 46 -12.566 -2.434 -2.148 1.00 0.00 C ATOM 757 OH TYR A 46 -13.047 -3.662 -1.755 1.00 0.00 O ATOM 0 H TYR A 46 -11.617 3.637 -1.483 1.00 0.00 H new ATOM 0 HA TYR A 46 -9.674 1.495 -1.763 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -11.904 1.992 -3.759 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -10.386 1.247 -4.222 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -9.664 -0.795 -2.598 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -13.660 0.567 -3.200 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -10.518 -2.987 -1.885 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -14.514 -1.621 -2.487 1.00 0.00 H new ATOM 0 HH TYR A 46 -14.026 -3.657 -1.791 1.00 0.00 H new ATOM 767 N LEU A 47 -8.468 2.959 -3.573 1.00 0.00 N ATOM 768 CA LEU A 47 -7.651 3.936 -4.269 1.00 0.00 C ATOM 769 C LEU A 47 -8.296 4.321 -5.588 1.00 0.00 C ATOM 770 O LEU A 47 -8.552 3.469 -6.440 1.00 0.00 O ATOM 771 CB LEU A 47 -6.250 3.382 -4.524 1.00 0.00 C ATOM 772 CG LEU A 47 -5.397 3.183 -3.274 1.00 0.00 C ATOM 773 CD1 LEU A 47 -4.107 2.451 -3.616 1.00 0.00 C ATOM 774 CD2 LEU A 47 -5.088 4.522 -2.624 1.00 0.00 C ATOM 0 H LEU A 47 -8.133 1.999 -3.651 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.571 4.822 -3.639 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.342 2.426 -5.039 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.726 4.058 -5.199 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.961 2.575 -2.567 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.513 2.319 -2.712 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.344 1.475 -4.040 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.539 3.034 -4.341 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.479 4.363 -1.734 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.544 5.151 -3.328 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.019 5.014 -2.343 1.00 0.00 H new ATOM 786 N SER A 48 -8.562 5.603 -5.745 1.00 0.00 N ATOM 787 CA SER A 48 -9.129 6.117 -6.966 1.00 0.00 C ATOM 788 C SER A 48 -8.054 6.182 -8.041 1.00 0.00 C ATOM 789 O SER A 48 -6.873 5.955 -7.767 1.00 0.00 O ATOM 790 CB SER A 48 -9.713 7.508 -6.711 1.00 0.00 C ATOM 791 OG SER A 48 -10.493 7.521 -5.528 1.00 0.00 O ATOM 0 H SER A 48 -8.390 6.311 -5.031 1.00 0.00 H new ATOM 0 HA SER A 48 -9.926 5.456 -7.307 1.00 0.00 H new ATOM 0 HB2 SER A 48 -8.906 8.236 -6.627 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.327 7.810 -7.559 1.00 0.00 H new ATOM 0 HG SER A 48 -10.855 8.420 -5.384 1.00 0.00 H new ATOM 797 N LEU A 49 -8.460 6.518 -9.247 1.00 0.00 N ATOM 798 CA LEU A 49 -7.552 6.612 -10.369 1.00 0.00 C ATOM 799 C LEU A 49 -6.572 7.757 -10.150 1.00 0.00 C ATOM 800 O LEU A 49 -5.384 7.644 -10.444 1.00 0.00 O ATOM 801 CB LEU A 49 -8.354 6.826 -11.649 1.00 0.00 C ATOM 802 CG LEU A 49 -9.293 5.677 -12.028 1.00 0.00 C ATOM 803 CD1 LEU A 49 -10.054 6.014 -13.300 1.00 0.00 C ATOM 804 CD2 LEU A 49 -8.513 4.385 -12.208 1.00 0.00 C ATOM 0 H LEU A 49 -9.430 6.734 -9.477 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.982 5.687 -10.459 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -8.944 7.736 -11.542 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.658 6.992 -12.472 1.00 0.00 H new ATOM 0 HG LEU A 49 -10.009 5.538 -11.218 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -10.717 5.188 -13.557 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -10.643 6.917 -13.143 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.348 6.179 -14.114 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -9.198 3.581 -12.477 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.775 4.513 -13.000 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.006 4.133 -11.277 1.00 0.00 H new ATOM 816 N GLN A 50 -7.088 8.847 -9.606 1.00 0.00 N ATOM 817 CA GLN A 50 -6.273 10.000 -9.262 1.00 0.00 C ATOM 818 C GLN A 50 -5.326 9.648 -8.113 1.00 0.00 C ATOM 819 O GLN A 50 -4.189 10.119 -8.056 1.00 0.00 O ATOM 820 CB GLN A 50 -7.193 11.176 -8.884 1.00 0.00 C ATOM 821 CG GLN A 50 -6.482 12.496 -8.597 1.00 0.00 C ATOM 822 CD GLN A 50 -5.826 12.543 -7.227 1.00 0.00 C ATOM 823 OE1 GLN A 50 -6.288 11.904 -6.279 1.00 0.00 O ATOM 824 NE2 GLN A 50 -4.753 13.304 -7.115 1.00 0.00 N ATOM 0 H GLN A 50 -8.079 8.957 -9.391 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.665 10.293 -10.118 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -7.904 11.334 -9.695 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -7.771 10.895 -8.004 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.723 12.665 -9.361 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -7.201 13.312 -8.676 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.404 13.816 -7.925 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -4.273 13.380 -6.218 1.00 0.00 H new ATOM 833 N GLN A 51 -5.796 8.799 -7.207 1.00 0.00 N ATOM 834 CA GLN A 51 -5.032 8.455 -6.021 1.00 0.00 C ATOM 835 C GLN A 51 -3.885 7.499 -6.335 1.00 0.00 C ATOM 836 O GLN A 51 -2.774 7.693 -5.859 1.00 0.00 O ATOM 837 CB GLN A 51 -5.942 7.854 -4.954 1.00 0.00 C ATOM 838 CG GLN A 51 -6.870 8.867 -4.304 1.00 0.00 C ATOM 839 CD GLN A 51 -7.586 8.303 -3.094 1.00 0.00 C ATOM 840 OE1 GLN A 51 -7.069 8.360 -1.980 1.00 0.00 O ATOM 841 NE2 GLN A 51 -8.784 7.781 -3.293 1.00 0.00 N ATOM 0 H GLN A 51 -6.703 8.338 -7.274 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.595 9.378 -5.640 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -6.541 7.062 -5.403 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.327 7.390 -4.183 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -6.295 9.744 -4.006 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -7.606 9.202 -5.035 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -9.178 7.753 -4.233 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -9.314 7.407 -2.506 1.00 0.00 H new ATOM 850 N MET A 52 -4.152 6.476 -7.138 1.00 0.00 N ATOM 851 CA MET A 52 -3.128 5.478 -7.459 1.00 0.00 C ATOM 852 C MET A 52 -1.930 6.109 -8.175 1.00 0.00 C ATOM 853 O MET A 52 -0.788 5.727 -7.924 1.00 0.00 O ATOM 854 CB MET A 52 -3.717 4.331 -8.290 1.00 0.00 C ATOM 855 CG MET A 52 -4.380 4.768 -9.583 1.00 0.00 C ATOM 856 SD MET A 52 -5.177 3.400 -10.448 1.00 0.00 S ATOM 857 CE MET A 52 -6.347 2.845 -9.207 1.00 0.00 C ATOM 0 H MET A 52 -5.058 6.313 -7.577 1.00 0.00 H new ATOM 0 HA MET A 52 -2.769 5.066 -6.516 1.00 0.00 H new ATOM 0 HB2 MET A 52 -2.922 3.624 -8.525 1.00 0.00 H new ATOM 0 HB3 MET A 52 -4.449 3.798 -7.683 1.00 0.00 H new ATOM 0 HG2 MET A 52 -5.121 5.537 -9.366 1.00 0.00 H new ATOM 0 HG3 MET A 52 -3.633 5.220 -10.236 1.00 0.00 H new ATOM 0 HE1 MET A 52 -7.291 2.588 -9.687 1.00 0.00 H new ATOM 0 HE2 MET A 52 -5.948 1.968 -8.697 1.00 0.00 H new ATOM 0 HE3 MET A 52 -6.513 3.642 -8.482 1.00 0.00 H new ATOM 867 N GLN A 53 -2.183 7.092 -9.037 1.00 0.00 N ATOM 868 CA GLN A 53 -1.092 7.777 -9.730 1.00 0.00 C ATOM 869 C GLN A 53 -0.365 8.716 -8.773 1.00 0.00 C ATOM 870 O GLN A 53 0.855 8.887 -8.848 1.00 0.00 O ATOM 871 CB GLN A 53 -1.595 8.546 -10.961 1.00 0.00 C ATOM 872 CG GLN A 53 -2.808 9.422 -10.696 1.00 0.00 C ATOM 873 CD GLN A 53 -3.101 10.400 -11.819 1.00 0.00 C ATOM 874 OE1 GLN A 53 -3.647 11.479 -11.586 1.00 0.00 O ATOM 875 NE2 GLN A 53 -2.743 10.036 -13.039 1.00 0.00 N ATOM 0 H GLN A 53 -3.117 7.428 -9.270 1.00 0.00 H new ATOM 0 HA GLN A 53 -0.393 7.018 -10.081 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.786 9.170 -11.341 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -1.842 7.831 -11.746 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.680 8.786 -10.541 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.651 9.978 -9.772 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -2.293 9.133 -13.190 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -2.917 10.658 -13.828 1.00 0.00 H new ATOM 884 N GLU A 54 -1.126 9.307 -7.866 1.00 0.00 N ATOM 885 CA GLU A 54 -0.574 10.182 -6.845 1.00 0.00 C ATOM 886 C GLU A 54 0.370 9.408 -5.934 1.00 0.00 C ATOM 887 O GLU A 54 1.516 9.806 -5.724 1.00 0.00 O ATOM 888 CB GLU A 54 -1.712 10.791 -6.028 1.00 0.00 C ATOM 889 CG GLU A 54 -1.260 11.652 -4.865 1.00 0.00 C ATOM 890 CD GLU A 54 -2.434 12.215 -4.101 1.00 0.00 C ATOM 891 OE1 GLU A 54 -2.954 13.279 -4.507 1.00 0.00 O ATOM 892 OE2 GLU A 54 -2.875 11.583 -3.110 1.00 0.00 O ATOM 0 H GLU A 54 -2.139 9.194 -7.817 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.008 10.979 -7.327 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.335 11.393 -6.689 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.339 9.986 -5.645 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.638 11.060 -4.193 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.641 12.469 -5.235 1.00 0.00 H new ATOM 899 N LEU A 55 -0.114 8.282 -5.424 1.00 0.00 N ATOM 900 CA LEU A 55 0.638 7.462 -4.500 1.00 0.00 C ATOM 901 C LEU A 55 1.955 7.000 -5.103 1.00 0.00 C ATOM 902 O LEU A 55 2.988 7.019 -4.435 1.00 0.00 O ATOM 903 CB LEU A 55 -0.210 6.263 -4.080 1.00 0.00 C ATOM 904 CG LEU A 55 -0.972 6.421 -2.758 1.00 0.00 C ATOM 905 CD1 LEU A 55 -0.005 6.649 -1.609 1.00 0.00 C ATOM 906 CD2 LEU A 55 -1.969 7.565 -2.840 1.00 0.00 C ATOM 0 H LEU A 55 -1.041 7.917 -5.644 1.00 0.00 H new ATOM 0 HA LEU A 55 0.879 8.063 -3.623 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.930 6.055 -4.871 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.439 5.391 -4.003 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.523 5.498 -2.574 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.564 6.759 -0.680 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.671 5.798 -1.528 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.573 7.554 -1.794 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.497 7.657 -1.891 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.440 8.494 -3.052 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.687 7.366 -3.636 1.00 0.00 H new ATOM 918 N SER A 56 1.921 6.602 -6.364 1.00 0.00 N ATOM 919 CA SER A 56 3.128 6.155 -7.042 1.00 0.00 C ATOM 920 C SER A 56 4.154 7.281 -7.138 1.00 0.00 C ATOM 921 O SER A 56 5.349 7.056 -6.953 1.00 0.00 O ATOM 922 CB SER A 56 2.801 5.602 -8.433 1.00 0.00 C ATOM 923 OG SER A 56 1.924 6.454 -9.147 1.00 0.00 O ATOM 0 H SER A 56 1.077 6.579 -6.936 1.00 0.00 H new ATOM 0 HA SER A 56 3.564 5.351 -6.449 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.724 5.474 -8.999 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.348 4.615 -8.334 1.00 0.00 H new ATOM 0 HG SER A 56 1.862 7.318 -8.689 1.00 0.00 H new ATOM 929 N ASN A 57 3.678 8.495 -7.388 1.00 0.00 N ATOM 930 CA ASN A 57 4.565 9.643 -7.539 1.00 0.00 C ATOM 931 C ASN A 57 5.243 9.982 -6.212 1.00 0.00 C ATOM 932 O ASN A 57 6.425 10.329 -6.174 1.00 0.00 O ATOM 933 CB ASN A 57 3.782 10.856 -8.055 1.00 0.00 C ATOM 934 CG ASN A 57 4.669 12.061 -8.315 1.00 0.00 C ATOM 935 OD1 ASN A 57 4.892 12.890 -7.431 1.00 0.00 O ATOM 936 ND2 ASN A 57 5.175 12.170 -9.535 1.00 0.00 N ATOM 0 H ASN A 57 2.686 8.710 -7.490 1.00 0.00 H new ATOM 0 HA ASN A 57 5.336 9.385 -8.265 1.00 0.00 H new ATOM 0 HB2 ASN A 57 3.266 10.585 -8.976 1.00 0.00 H new ATOM 0 HB3 ASN A 57 3.016 11.125 -7.328 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.773 12.962 -9.770 1.00 0.00 H new ATOM 0 HD22 ASN A 57 4.966 11.462 -10.239 1.00 0.00 H new ATOM 943 N ILE A 58 4.496 9.850 -5.122 1.00 0.00 N ATOM 944 CA ILE A 58 5.001 10.197 -3.800 1.00 0.00 C ATOM 945 C ILE A 58 5.968 9.138 -3.288 1.00 0.00 C ATOM 946 O ILE A 58 7.053 9.453 -2.800 1.00 0.00 O ATOM 947 CB ILE A 58 3.850 10.354 -2.786 1.00 0.00 C ATOM 948 CG1 ILE A 58 2.782 11.293 -3.351 1.00 0.00 C ATOM 949 CG2 ILE A 58 4.384 10.875 -1.458 1.00 0.00 C ATOM 950 CD1 ILE A 58 1.662 11.601 -2.384 1.00 0.00 C ATOM 0 H ILE A 58 3.536 9.504 -5.128 1.00 0.00 H new ATOM 0 HA ILE A 58 5.525 11.148 -3.899 1.00 0.00 H new ATOM 0 HB ILE A 58 3.395 9.380 -2.609 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.256 12.227 -3.652 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.359 10.846 -4.251 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.561 10.981 -0.751 1.00 0.00 H new ATOM 0 HG22 ILE A 58 5.116 10.173 -1.059 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.858 11.845 -1.612 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.946 12.272 -2.858 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.160 10.675 -2.102 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.071 12.078 -1.493 1.00 0.00 H new ATOM 962 N LEU A 59 5.582 7.877 -3.425 1.00 0.00 N ATOM 963 CA LEU A 59 6.379 6.772 -2.904 1.00 0.00 C ATOM 964 C LEU A 59 7.542 6.431 -3.827 1.00 0.00 C ATOM 965 O LEU A 59 8.254 5.455 -3.594 1.00 0.00 O ATOM 966 CB LEU A 59 5.506 5.530 -2.689 1.00 0.00 C ATOM 967 CG LEU A 59 4.743 5.467 -1.358 1.00 0.00 C ATOM 968 CD1 LEU A 59 5.710 5.480 -0.185 1.00 0.00 C ATOM 969 CD2 LEU A 59 3.749 6.611 -1.235 1.00 0.00 C ATOM 0 H LEU A 59 4.721 7.592 -3.893 1.00 0.00 H new ATOM 0 HA LEU A 59 6.789 7.094 -1.947 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.783 5.473 -3.503 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.140 4.647 -2.764 1.00 0.00 H new ATOM 0 HG LEU A 59 4.184 4.531 -1.341 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.150 5.435 0.749 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.374 4.619 -0.252 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.300 6.396 -0.210 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.226 6.537 -0.282 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.280 7.561 -1.285 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.028 6.555 -2.050 1.00 0.00 H new ATOM 981 N ASN A 60 7.727 7.241 -4.873 1.00 0.00 N ATOM 982 CA ASN A 60 8.802 7.040 -5.841 1.00 0.00 C ATOM 983 C ASN A 60 8.665 5.682 -6.516 1.00 0.00 C ATOM 984 O ASN A 60 9.658 5.042 -6.871 1.00 0.00 O ATOM 985 CB ASN A 60 10.182 7.168 -5.185 1.00 0.00 C ATOM 986 CG ASN A 60 10.559 8.596 -4.820 1.00 0.00 C ATOM 987 OD1 ASN A 60 11.724 8.983 -4.922 1.00 0.00 O ATOM 988 ND2 ASN A 60 9.596 9.379 -4.362 1.00 0.00 N ATOM 0 H ASN A 60 7.138 8.050 -5.070 1.00 0.00 H new ATOM 0 HA ASN A 60 8.716 7.822 -6.596 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.204 6.555 -4.284 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.935 6.765 -5.863 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.808 10.336 -4.080 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.642 9.026 -4.291 1.00 0.00 H new ATOM 995 N LEU A 61 7.426 5.261 -6.717 1.00 0.00 N ATOM 996 CA LEU A 61 7.141 3.980 -7.335 1.00 0.00 C ATOM 997 C LEU A 61 6.513 4.194 -8.701 1.00 0.00 C ATOM 998 O LEU A 61 6.267 5.330 -9.109 1.00 0.00 O ATOM 999 CB LEU A 61 6.202 3.154 -6.450 1.00 0.00 C ATOM 1000 CG LEU A 61 6.770 2.761 -5.084 1.00 0.00 C ATOM 1001 CD1 LEU A 61 5.740 1.972 -4.290 1.00 0.00 C ATOM 1002 CD2 LEU A 61 8.049 1.953 -5.247 1.00 0.00 C ATOM 0 H LEU A 61 6.596 5.795 -6.458 1.00 0.00 H new ATOM 0 HA LEU A 61 8.077 3.433 -7.452 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.284 3.721 -6.294 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.929 2.246 -6.987 1.00 0.00 H new ATOM 0 HG LEU A 61 7.009 3.672 -4.535 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.158 1.700 -3.321 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.849 2.582 -4.142 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.473 1.068 -4.837 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.437 1.684 -4.265 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.837 1.047 -5.815 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.791 2.549 -5.779 1.00 0.00 H new ATOM 1014 N SER A 62 6.259 3.106 -9.400 1.00 0.00 N ATOM 1015 CA SER A 62 5.637 3.175 -10.706 1.00 0.00 C ATOM 1016 C SER A 62 4.126 3.021 -10.586 1.00 0.00 C ATOM 1017 O SER A 62 3.630 2.294 -9.721 1.00 0.00 O ATOM 1018 CB SER A 62 6.220 2.093 -11.623 1.00 0.00 C ATOM 1019 OG SER A 62 5.488 1.987 -12.832 1.00 0.00 O ATOM 0 H SER A 62 6.475 2.161 -9.084 1.00 0.00 H new ATOM 0 HA SER A 62 5.845 4.152 -11.143 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.261 2.326 -11.846 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.212 1.133 -11.106 1.00 0.00 H new ATOM 0 HG SER A 62 5.886 1.290 -13.395 1.00 0.00 H new ATOM 1025 N TYR A 63 3.409 3.722 -11.453 1.00 0.00 N ATOM 1026 CA TYR A 63 1.959 3.638 -11.531 1.00 0.00 C ATOM 1027 C TYR A 63 1.531 2.198 -11.782 1.00 0.00 C ATOM 1028 O TYR A 63 0.530 1.735 -11.245 1.00 0.00 O ATOM 1029 CB TYR A 63 1.450 4.557 -12.652 1.00 0.00 C ATOM 1030 CG TYR A 63 -0.026 4.425 -12.966 1.00 0.00 C ATOM 1031 CD1 TYR A 63 -0.981 5.094 -12.214 1.00 0.00 C ATOM 1032 CD2 TYR A 63 -0.460 3.638 -14.026 1.00 0.00 C ATOM 1033 CE1 TYR A 63 -2.327 4.982 -12.509 1.00 0.00 C ATOM 1034 CE2 TYR A 63 -1.802 3.523 -14.328 1.00 0.00 C ATOM 1035 CZ TYR A 63 -2.733 4.196 -13.567 1.00 0.00 C ATOM 1036 OH TYR A 63 -4.072 4.082 -13.865 1.00 0.00 O ATOM 0 H TYR A 63 3.820 4.369 -12.126 1.00 0.00 H new ATOM 0 HA TYR A 63 1.526 3.964 -10.585 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.656 5.591 -12.376 1.00 0.00 H new ATOM 0 HB3 TYR A 63 2.019 4.349 -13.558 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -0.668 5.712 -11.385 1.00 0.00 H new ATOM 0 HD2 TYR A 63 0.266 3.107 -14.624 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -3.058 5.508 -11.913 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -2.121 2.908 -15.157 1.00 0.00 H new ATOM 0 HH TYR A 63 -4.574 3.889 -13.046 1.00 0.00 H new ATOM 1046 N LYS A 64 2.324 1.483 -12.577 1.00 0.00 N ATOM 1047 CA LYS A 64 2.040 0.097 -12.897 1.00 0.00 C ATOM 1048 C LYS A 64 2.137 -0.748 -11.640 1.00 0.00 C ATOM 1049 O LYS A 64 1.341 -1.659 -11.422 1.00 0.00 O ATOM 1050 CB LYS A 64 3.032 -0.431 -13.932 1.00 0.00 C ATOM 1051 CG LYS A 64 3.139 0.416 -15.188 1.00 0.00 C ATOM 1052 CD LYS A 64 4.026 -0.257 -16.222 1.00 0.00 C ATOM 1053 CE LYS A 64 4.344 0.671 -17.383 1.00 0.00 C ATOM 1054 NZ LYS A 64 5.151 1.841 -16.951 1.00 0.00 N ATOM 0 H LYS A 64 3.172 1.849 -13.011 1.00 0.00 H new ATOM 0 HA LYS A 64 1.032 0.038 -13.309 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.017 -0.501 -13.471 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.740 -1.442 -14.214 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.146 0.580 -15.606 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.545 1.396 -14.937 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.954 -0.580 -15.750 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.531 -1.153 -16.598 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.886 0.119 -18.151 1.00 0.00 H new ATOM 0 HE3 LYS A 64 3.415 1.018 -17.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 5.614 2.268 -17.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.530 2.544 -16.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 5.874 1.532 -16.270 1.00 0.00 H new ATOM 1068 N GLN A 65 3.120 -0.420 -10.811 1.00 0.00 N ATOM 1069 CA GLN A 65 3.351 -1.137 -9.567 1.00 0.00 C ATOM 1070 C GLN A 65 2.209 -0.878 -8.595 1.00 0.00 C ATOM 1071 O GLN A 65 1.683 -1.805 -7.983 1.00 0.00 O ATOM 1072 CB GLN A 65 4.684 -0.713 -8.938 1.00 0.00 C ATOM 1073 CG GLN A 65 5.898 -0.965 -9.821 1.00 0.00 C ATOM 1074 CD GLN A 65 6.077 -2.428 -10.185 1.00 0.00 C ATOM 1075 OE1 GLN A 65 6.725 -3.181 -9.465 1.00 0.00 O ATOM 1076 NE2 GLN A 65 5.513 -2.834 -11.313 1.00 0.00 N ATOM 0 H GLN A 65 3.774 0.344 -10.981 1.00 0.00 H new ATOM 0 HA GLN A 65 3.397 -2.204 -9.787 1.00 0.00 H new ATOM 0 HB2 GLN A 65 4.638 0.349 -8.697 1.00 0.00 H new ATOM 0 HB3 GLN A 65 4.816 -1.248 -7.997 1.00 0.00 H new ATOM 0 HG2 GLN A 65 5.803 -0.379 -10.735 1.00 0.00 H new ATOM 0 HG3 GLN A 65 6.793 -0.613 -9.308 1.00 0.00 H new ATOM 0 HE21 GLN A 65 4.982 -2.176 -11.883 1.00 0.00 H new ATOM 0 HE22 GLN A 65 5.610 -3.805 -11.611 1.00 0.00 H new ATOM 1085 N VAL A 66 1.806 0.384 -8.482 1.00 0.00 N ATOM 1086 CA VAL A 66 0.743 0.757 -7.551 1.00 0.00 C ATOM 1087 C VAL A 66 -0.606 0.214 -8.018 1.00 0.00 C ATOM 1088 O VAL A 66 -1.380 -0.323 -7.224 1.00 0.00 O ATOM 1089 CB VAL A 66 0.660 2.287 -7.360 1.00 0.00 C ATOM 1090 CG1 VAL A 66 -0.538 2.666 -6.497 1.00 0.00 C ATOM 1091 CG2 VAL A 66 1.947 2.796 -6.733 1.00 0.00 C ATOM 0 H VAL A 66 2.194 1.160 -9.018 1.00 0.00 H new ATOM 0 HA VAL A 66 0.989 0.310 -6.588 1.00 0.00 H new ATOM 0 HB VAL A 66 0.529 2.752 -8.337 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.573 3.749 -6.378 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.455 2.324 -6.977 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.444 2.197 -5.518 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.885 3.876 -6.600 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.093 2.319 -5.764 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.788 2.559 -7.385 1.00 0.00 H new ATOM 1101 N LYS A 67 -0.863 0.330 -9.313 1.00 0.00 N ATOM 1102 CA LYS A 67 -2.117 -0.134 -9.899 1.00 0.00 C ATOM 1103 C LYS A 67 -2.268 -1.641 -9.710 1.00 0.00 C ATOM 1104 O LYS A 67 -3.341 -2.134 -9.355 1.00 0.00 O ATOM 1105 CB LYS A 67 -2.142 0.225 -11.388 1.00 0.00 C ATOM 1106 CG LYS A 67 -3.504 0.643 -11.922 1.00 0.00 C ATOM 1107 CD LYS A 67 -4.419 -0.539 -12.194 1.00 0.00 C ATOM 1108 CE LYS A 67 -5.705 -0.083 -12.868 1.00 0.00 C ATOM 1109 NZ LYS A 67 -6.536 -1.227 -13.324 1.00 0.00 N ATOM 0 H LYS A 67 -0.216 0.744 -9.984 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.952 0.355 -9.397 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.434 1.035 -11.564 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.791 -0.634 -11.960 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.982 1.309 -11.203 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.369 1.211 -12.842 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.907 -1.262 -12.829 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.654 -1.046 -11.258 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.281 0.528 -12.173 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.461 0.550 -13.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.401 -0.869 -13.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.998 -1.796 -14.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.792 -1.818 -12.507 1.00 0.00 H new ATOM 1123 N THR A 68 -1.178 -2.363 -9.925 1.00 0.00 N ATOM 1124 CA THR A 68 -1.178 -3.811 -9.784 1.00 0.00 C ATOM 1125 C THR A 68 -1.275 -4.216 -8.314 1.00 0.00 C ATOM 1126 O THR A 68 -1.999 -5.150 -7.970 1.00 0.00 O ATOM 1127 CB THR A 68 0.086 -4.435 -10.415 1.00 0.00 C ATOM 1128 OG1 THR A 68 0.189 -4.030 -11.785 1.00 0.00 O ATOM 1129 CG2 THR A 68 0.055 -5.957 -10.338 1.00 0.00 C ATOM 0 H THR A 68 -0.279 -1.967 -10.199 1.00 0.00 H new ATOM 0 HA THR A 68 -2.053 -4.189 -10.313 1.00 0.00 H new ATOM 0 HB THR A 68 0.952 -4.083 -9.854 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.808 -3.273 -11.857 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.959 -6.363 -10.791 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.001 -6.267 -9.295 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.818 -6.331 -10.873 1.00 0.00 H new ATOM 1137 N TRP A 69 -0.559 -3.501 -7.446 1.00 0.00 N ATOM 1138 CA TRP A 69 -0.607 -3.779 -6.017 1.00 0.00 C ATOM 1139 C TRP A 69 -2.028 -3.602 -5.500 1.00 0.00 C ATOM 1140 O TRP A 69 -2.510 -4.407 -4.706 1.00 0.00 O ATOM 1141 CB TRP A 69 0.351 -2.862 -5.249 1.00 0.00 C ATOM 1142 CG TRP A 69 0.471 -3.217 -3.796 1.00 0.00 C ATOM 1143 CD1 TRP A 69 1.365 -4.085 -3.238 1.00 0.00 C ATOM 1144 CD2 TRP A 69 -0.330 -2.717 -2.717 1.00 0.00 C ATOM 1145 NE1 TRP A 69 1.166 -4.161 -1.882 1.00 0.00 N ATOM 1146 CE2 TRP A 69 0.134 -3.328 -1.536 1.00 0.00 C ATOM 1147 CE3 TRP A 69 -1.395 -1.812 -2.633 1.00 0.00 C ATOM 1148 CZ2 TRP A 69 -0.431 -3.064 -0.292 1.00 0.00 C ATOM 1149 CZ3 TRP A 69 -1.952 -1.550 -1.397 1.00 0.00 C ATOM 1150 CH2 TRP A 69 -1.470 -2.175 -0.240 1.00 0.00 C ATOM 0 H TRP A 69 0.056 -2.731 -7.708 1.00 0.00 H new ATOM 0 HA TRP A 69 -0.293 -4.811 -5.857 1.00 0.00 H new ATOM 0 HB2 TRP A 69 1.337 -2.909 -5.711 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.007 -1.832 -5.337 1.00 0.00 H new ATOM 0 HD1 TRP A 69 2.119 -4.632 -3.784 1.00 0.00 H new ATOM 0 HE1 TRP A 69 1.700 -4.743 -1.236 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -1.775 -1.327 -3.520 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 -0.062 -3.544 0.602 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -2.773 -0.852 -1.321 1.00 0.00 H new ATOM 0 HH2 TRP A 69 -1.927 -1.951 0.712 1.00 0.00 H new ATOM 1161 N PHE A 70 -2.689 -2.548 -5.966 1.00 0.00 N ATOM 1162 CA PHE A 70 -4.076 -2.288 -5.612 1.00 0.00 C ATOM 1163 C PHE A 70 -4.962 -3.462 -6.009 1.00 0.00 C ATOM 1164 O PHE A 70 -5.762 -3.943 -5.210 1.00 0.00 O ATOM 1165 CB PHE A 70 -4.563 -1.002 -6.289 1.00 0.00 C ATOM 1166 CG PHE A 70 -6.031 -0.737 -6.108 1.00 0.00 C ATOM 1167 CD1 PHE A 70 -6.541 -0.395 -4.868 1.00 0.00 C ATOM 1168 CD2 PHE A 70 -6.899 -0.840 -7.183 1.00 0.00 C ATOM 1169 CE1 PHE A 70 -7.891 -0.157 -4.703 1.00 0.00 C ATOM 1170 CE2 PHE A 70 -8.249 -0.602 -7.025 1.00 0.00 C ATOM 1171 CZ PHE A 70 -8.746 -0.262 -5.784 1.00 0.00 C ATOM 0 H PHE A 70 -2.281 -1.856 -6.595 1.00 0.00 H new ATOM 0 HA PHE A 70 -4.138 -2.162 -4.531 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -4.000 -0.158 -5.891 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -4.343 -1.058 -7.355 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.876 -0.313 -4.021 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.515 -1.110 -8.156 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -8.278 0.111 -3.731 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -8.915 -0.682 -7.871 1.00 0.00 H new ATOM 0 HZ PHE A 70 -9.803 -0.078 -5.657 1.00 0.00 H new ATOM 1181 N GLN A 71 -4.801 -3.929 -7.243 1.00 0.00 N ATOM 1182 CA GLN A 71 -5.561 -5.073 -7.741 1.00 0.00 C ATOM 1183 C GLN A 71 -5.269 -6.326 -6.922 1.00 0.00 C ATOM 1184 O GLN A 71 -6.165 -7.099 -6.604 1.00 0.00 O ATOM 1185 CB GLN A 71 -5.229 -5.326 -9.212 1.00 0.00 C ATOM 1186 CG GLN A 71 -5.753 -4.255 -10.150 1.00 0.00 C ATOM 1187 CD GLN A 71 -7.261 -4.287 -10.278 1.00 0.00 C ATOM 1188 OE1 GLN A 71 -7.804 -4.975 -11.142 1.00 0.00 O ATOM 1189 NE2 GLN A 71 -7.952 -3.543 -9.430 1.00 0.00 N ATOM 0 H GLN A 71 -4.149 -3.532 -7.920 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.621 -4.840 -7.645 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -4.147 -5.396 -9.324 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -5.643 -6.290 -9.508 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -5.443 -3.275 -9.788 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -5.305 -4.387 -11.135 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.466 -2.986 -8.727 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -8.971 -3.527 -9.479 1.00 0.00 H new ATOM 1198 N ASN A 72 -4.008 -6.501 -6.577 1.00 0.00 N ATOM 1199 CA ASN A 72 -3.552 -7.654 -5.811 1.00 0.00 C ATOM 1200 C ASN A 72 -4.111 -7.617 -4.388 1.00 0.00 C ATOM 1201 O ASN A 72 -4.595 -8.624 -3.866 1.00 0.00 O ATOM 1202 CB ASN A 72 -2.017 -7.675 -5.791 1.00 0.00 C ATOM 1203 CG ASN A 72 -1.440 -8.792 -4.944 1.00 0.00 C ATOM 1204 OD1 ASN A 72 -2.043 -9.851 -4.791 1.00 0.00 O ATOM 1205 ND2 ASN A 72 -0.260 -8.562 -4.389 1.00 0.00 N ATOM 0 H ASN A 72 -3.264 -5.846 -6.819 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.917 -8.565 -6.286 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.649 -7.777 -6.812 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.653 -6.719 -5.415 1.00 0.00 H new ATOM 0 HD21 ASN A 72 0.180 -9.278 -3.810 1.00 0.00 H new ATOM 0 HD22 ASN A 72 0.209 -7.669 -4.540 1.00 0.00 H new ATOM 1212 N GLN A 73 -4.047 -6.449 -3.768 1.00 0.00 N ATOM 1213 CA GLN A 73 -4.589 -6.258 -2.430 1.00 0.00 C ATOM 1214 C GLN A 73 -6.098 -6.447 -2.453 1.00 0.00 C ATOM 1215 O GLN A 73 -6.686 -7.014 -1.532 1.00 0.00 O ATOM 1216 CB GLN A 73 -4.242 -4.856 -1.916 1.00 0.00 C ATOM 1217 CG GLN A 73 -4.692 -4.591 -0.488 1.00 0.00 C ATOM 1218 CD GLN A 73 -4.042 -5.522 0.518 1.00 0.00 C ATOM 1219 OE1 GLN A 73 -2.921 -5.989 0.319 1.00 0.00 O ATOM 1220 NE2 GLN A 73 -4.746 -5.806 1.602 1.00 0.00 N ATOM 0 H GLN A 73 -3.623 -5.614 -4.172 1.00 0.00 H new ATOM 0 HA GLN A 73 -4.148 -6.996 -1.760 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.163 -4.714 -1.978 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -4.699 -4.116 -2.573 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -4.459 -3.559 -0.224 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -5.775 -4.698 -0.428 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -5.672 -5.398 1.730 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -4.362 -6.433 2.310 1.00 0.00 H new ATOM 1229 N ARG A 74 -6.709 -5.982 -3.530 1.00 0.00 N ATOM 1230 CA ARG A 74 -8.149 -6.056 -3.691 1.00 0.00 C ATOM 1231 C ARG A 74 -8.586 -7.498 -3.927 1.00 0.00 C ATOM 1232 O ARG A 74 -9.508 -7.984 -3.273 1.00 0.00 O ATOM 1233 CB ARG A 74 -8.592 -5.159 -4.857 1.00 0.00 C ATOM 1234 CG ARG A 74 -10.049 -4.720 -4.802 1.00 0.00 C ATOM 1235 CD ARG A 74 -11.006 -5.851 -5.136 1.00 0.00 C ATOM 1236 NE ARG A 74 -12.394 -5.462 -4.920 1.00 0.00 N ATOM 1237 CZ ARG A 74 -13.423 -6.301 -4.988 1.00 0.00 C ATOM 1238 NH1 ARG A 74 -13.243 -7.554 -5.386 1.00 0.00 N ATOM 1239 NH2 ARG A 74 -14.643 -5.875 -4.693 1.00 0.00 N ATOM 0 H ARG A 74 -6.223 -5.545 -4.313 1.00 0.00 H new ATOM 0 HA ARG A 74 -8.625 -5.702 -2.776 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -7.959 -4.272 -4.876 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.422 -5.692 -5.793 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.274 -4.339 -3.806 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -10.205 -3.897 -5.500 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -10.869 -6.149 -6.175 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -10.771 -6.720 -4.521 1.00 0.00 H new ATOM 0 HE ARG A 74 -12.588 -4.484 -4.703 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -12.311 -7.879 -5.642 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -14.037 -8.192 -5.436 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -14.791 -4.905 -4.414 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -15.434 -6.517 -4.745 1.00 0.00 H new ATOM 1253 N MET A 75 -7.908 -8.187 -4.842 1.00 0.00 N ATOM 1254 CA MET A 75 -8.336 -9.524 -5.251 1.00 0.00 C ATOM 1255 C MET A 75 -8.201 -10.531 -4.112 1.00 0.00 C ATOM 1256 O MET A 75 -8.947 -11.511 -4.057 1.00 0.00 O ATOM 1257 CB MET A 75 -7.565 -9.998 -6.497 1.00 0.00 C ATOM 1258 CG MET A 75 -6.099 -10.347 -6.267 1.00 0.00 C ATOM 1259 SD MET A 75 -5.862 -12.022 -5.634 1.00 0.00 S ATOM 1260 CE MET A 75 -4.077 -12.100 -5.547 1.00 0.00 C ATOM 0 H MET A 75 -7.068 -7.847 -5.311 1.00 0.00 H new ATOM 0 HA MET A 75 -9.393 -9.460 -5.511 1.00 0.00 H new ATOM 0 HB2 MET A 75 -8.070 -10.874 -6.904 1.00 0.00 H new ATOM 0 HB3 MET A 75 -7.620 -9.217 -7.256 1.00 0.00 H new ATOM 0 HG2 MET A 75 -5.554 -10.239 -7.205 1.00 0.00 H new ATOM 0 HG3 MET A 75 -5.668 -9.635 -5.564 1.00 0.00 H new ATOM 0 HE1 MET A 75 -3.736 -13.064 -5.924 1.00 0.00 H new ATOM 0 HE2 MET A 75 -3.648 -11.301 -6.152 1.00 0.00 H new ATOM 0 HE3 MET A 75 -3.758 -11.982 -4.511 1.00 0.00 H new ATOM 1270 N LYS A 76 -7.274 -10.276 -3.189 1.00 0.00 N ATOM 1271 CA LYS A 76 -7.051 -11.184 -2.066 1.00 0.00 C ATOM 1272 C LYS A 76 -8.279 -11.292 -1.161 1.00 0.00 C ATOM 1273 O LYS A 76 -8.427 -12.273 -0.441 1.00 0.00 O ATOM 1274 CB LYS A 76 -5.833 -10.758 -1.243 1.00 0.00 C ATOM 1275 CG LYS A 76 -4.512 -11.236 -1.826 1.00 0.00 C ATOM 1276 CD LYS A 76 -3.365 -11.049 -0.844 1.00 0.00 C ATOM 1277 CE LYS A 76 -2.980 -9.589 -0.691 1.00 0.00 C ATOM 1278 NZ LYS A 76 -2.413 -9.038 -1.946 1.00 0.00 N ATOM 0 H LYS A 76 -6.670 -9.454 -3.197 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.861 -12.168 -2.495 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.816 -9.671 -1.169 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.935 -11.145 -0.229 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -4.593 -12.289 -2.096 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -4.299 -10.687 -2.744 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.650 -11.452 0.128 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.500 -11.618 -1.184 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -3.857 -9.009 -0.402 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.252 -9.487 0.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.977 -8.113 -1.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.692 -9.690 -2.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -3.171 -8.924 -2.649 1.00 0.00 H new