USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=15 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= 0.733 K(o=1.1,f=-7.3!) USER MOD Set 1.2: A 73 GLN : amide:sc= 0.275 K(o=1.1,f=-6.9!) USER MOD Set 1.3: A 76 LYS NZ :NH3+ -173:sc= 0.124! (180deg=-1.42!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.00215 USER MOD Single : A 33 GLN :FLIP amide:sc= 0 F(o=-0.85,f=0) USER MOD Single : A 35 CYS SG : rot -73:sc= -0.451 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 42 GLN : amide:sc= -0.108 X(o=-0.11,f=-0.25) USER MOD Single : A 44 GLN : amide:sc= -1.49! C(o=-1.5!,f=-4.9!) 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 48 SER OG : rot 180:sc= 0.114 USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 51 GLN : amide:sc= -1.43 K(o=-1.4,f=-5!) USER MOD Single : A 52 MET CE :methyl 141:sc= -0.46 (180deg=-1.36) USER MOD Single : A 53 GLN :FLIP amide:sc= 0 F(o=-0.6,f=0) USER MOD Single : A 56 SER OG : rot 6:sc= 0.218 USER MOD Single : A 57 ASN : amide:sc=-0.00567 X(o=-0.0057,f=0) USER MOD Single : A 60 ASN : amide:sc= -0.25 X(o=-0.25,f=-0.025) USER MOD Single : A 62 SER OG : rot 180:sc= -0.0111 USER MOD Single : A 63 TYR OH : rot 90:sc= -0.984 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.271 X(o=-0.27,f=-0.12) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 77:sc= 1.33 USER MOD Single : A 71 GLN : amide:sc= -0.255 X(o=-0.26,f=-0.012) USER MOD Single : A 75 MET CE :methyl 143:sc= -0.521 (180deg=-1.31) USER MOD ----------------------------------------------------------------- ATOM 478 N SER A 30 7.722 -1.454 3.824 1.00 0.00 N ATOM 479 CA SER A 30 8.092 -0.993 5.146 1.00 0.00 C ATOM 480 C SER A 30 6.849 -0.443 5.830 1.00 0.00 C ATOM 481 O SER A 30 5.911 -0.014 5.150 1.00 0.00 O ATOM 482 CB SER A 30 9.180 0.081 5.046 1.00 0.00 C ATOM 483 OG SER A 30 9.649 0.471 6.324 1.00 0.00 O ATOM 0 HA SER A 30 8.494 -1.819 5.733 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.012 -0.298 4.453 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.785 0.951 4.522 1.00 0.00 H new ATOM 0 HG SER A 30 10.343 1.156 6.223 1.00 0.00 H new ATOM 489 N SER A 31 6.841 -0.455 7.155 1.00 0.00 N ATOM 490 CA SER A 31 5.687 -0.001 7.922 1.00 0.00 C ATOM 491 C SER A 31 5.312 1.435 7.573 1.00 0.00 C ATOM 492 O SER A 31 4.142 1.793 7.595 1.00 0.00 O ATOM 493 CB SER A 31 5.958 -0.136 9.419 1.00 0.00 C ATOM 494 OG SER A 31 6.043 -1.500 9.791 1.00 0.00 O ATOM 0 H SER A 31 7.624 -0.776 7.725 1.00 0.00 H new ATOM 0 HA SER A 31 4.841 -0.636 7.658 1.00 0.00 H new ATOM 0 HB2 SER A 31 6.887 0.374 9.673 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.163 0.351 9.983 1.00 0.00 H new ATOM 0 HG SER A 31 6.219 -1.566 10.753 1.00 0.00 H new ATOM 500 N THR A 32 6.300 2.248 7.223 1.00 0.00 N ATOM 501 CA THR A 32 6.039 3.622 6.826 1.00 0.00 C ATOM 502 C THR A 32 5.122 3.665 5.603 1.00 0.00 C ATOM 503 O THR A 32 4.166 4.435 5.555 1.00 0.00 O ATOM 504 CB THR A 32 7.348 4.365 6.518 1.00 0.00 C ATOM 505 OG1 THR A 32 8.324 4.034 7.513 1.00 0.00 O ATOM 506 CG2 THR A 32 7.126 5.872 6.501 1.00 0.00 C ATOM 0 H THR A 32 7.284 1.980 7.206 1.00 0.00 H new ATOM 0 HA THR A 32 5.544 4.119 7.660 1.00 0.00 H new ATOM 0 HB THR A 32 7.701 4.059 5.533 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.161 4.505 7.319 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.067 6.376 6.281 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.392 6.123 5.735 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.760 6.197 7.475 1.00 0.00 H new ATOM 514 N GLN A 33 5.393 2.803 4.632 1.00 0.00 N ATOM 515 CA GLN A 33 4.583 2.745 3.429 1.00 0.00 C ATOM 516 C GLN A 33 3.246 2.092 3.742 1.00 0.00 C ATOM 517 O GLN A 33 2.202 2.534 3.268 1.00 0.00 O ATOM 518 CB GLN A 33 5.304 1.966 2.329 1.00 0.00 C ATOM 519 CG GLN A 33 6.616 2.598 1.895 1.00 0.00 C ATOM 520 CD GLN A 33 7.352 1.779 0.851 1.00 0.00 C ATOM 521 OE1 GLN A 33 6.608 1.087 0.002 1.00 0.00 O flip ATOM 522 NE2 GLN A 33 8.581 1.779 0.799 1.00 0.00 N flip ATOM 0 H GLN A 33 6.166 2.137 4.656 1.00 0.00 H new ATOM 0 HA GLN A 33 4.413 3.761 3.073 1.00 0.00 H new ATOM 0 HB2 GLN A 33 5.497 0.953 2.680 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.647 1.883 1.464 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.419 3.593 1.496 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.257 2.726 2.767 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.120 2.325 1.471 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.061 1.233 0.084 1.00 0.00 H new ATOM 531 N LEU A 34 3.293 1.047 4.558 1.00 0.00 N ATOM 532 CA LEU A 34 2.095 0.305 4.927 1.00 0.00 C ATOM 533 C LEU A 34 1.102 1.167 5.713 1.00 0.00 C ATOM 534 O LEU A 34 -0.092 1.166 5.408 1.00 0.00 O ATOM 535 CB LEU A 34 2.470 -0.935 5.738 1.00 0.00 C ATOM 536 CG LEU A 34 3.283 -1.986 4.974 1.00 0.00 C ATOM 537 CD1 LEU A 34 3.678 -3.134 5.891 1.00 0.00 C ATOM 538 CD2 LEU A 34 2.493 -2.510 3.782 1.00 0.00 C ATOM 0 H LEU A 34 4.152 0.693 4.979 1.00 0.00 H new ATOM 0 HA LEU A 34 1.604 0.000 4.003 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.041 -0.621 6.612 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.556 -1.401 6.105 1.00 0.00 H new ATOM 0 HG LEU A 34 4.193 -1.510 4.607 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.254 -3.868 5.328 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.283 -2.751 6.713 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.780 -3.606 6.290 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.086 -3.255 3.252 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.566 -2.965 4.131 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.260 -1.685 3.109 1.00 0.00 H new ATOM 550 N CYS A 35 1.584 1.907 6.710 1.00 0.00 N ATOM 551 CA CYS A 35 0.694 2.715 7.538 1.00 0.00 C ATOM 552 C CYS A 35 0.070 3.843 6.723 1.00 0.00 C ATOM 553 O CYS A 35 -1.117 4.128 6.871 1.00 0.00 O ATOM 554 CB CYS A 35 1.424 3.276 8.764 1.00 0.00 C ATOM 555 SG CYS A 35 2.860 4.302 8.382 1.00 0.00 S ATOM 0 H CYS A 35 2.571 1.963 6.961 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.104 2.064 7.894 1.00 0.00 H new ATOM 0 HB2 CYS A 35 0.720 3.865 9.352 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.745 2.444 9.391 1.00 0.00 H new ATOM 0 HG CYS A 35 3.832 3.549 7.959 1.00 0.00 H new ATOM 561 N VAL A 36 0.863 4.467 5.850 1.00 0.00 N ATOM 562 CA VAL A 36 0.349 5.521 4.982 1.00 0.00 C ATOM 563 C VAL A 36 -0.768 4.983 4.089 1.00 0.00 C ATOM 564 O VAL A 36 -1.846 5.573 4.010 1.00 0.00 O ATOM 565 CB VAL A 36 1.461 6.150 4.109 1.00 0.00 C ATOM 566 CG1 VAL A 36 0.873 7.093 3.068 1.00 0.00 C ATOM 567 CG2 VAL A 36 2.463 6.893 4.980 1.00 0.00 C ATOM 0 H VAL A 36 1.855 4.261 5.728 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.049 6.302 5.630 1.00 0.00 H new ATOM 0 HB VAL A 36 1.975 5.343 3.587 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.677 7.521 2.469 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.192 6.541 2.420 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.328 7.894 3.569 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.239 7.330 4.351 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.952 7.685 5.528 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.917 6.198 5.686 1.00 0.00 H new ATOM 577 N LEU A 37 -0.513 3.849 3.443 1.00 0.00 N ATOM 578 CA LEU A 37 -1.502 3.230 2.566 1.00 0.00 C ATOM 579 C LEU A 37 -2.757 2.856 3.345 1.00 0.00 C ATOM 580 O LEU A 37 -3.870 3.169 2.928 1.00 0.00 O ATOM 581 CB LEU A 37 -0.917 1.984 1.889 1.00 0.00 C ATOM 582 CG LEU A 37 0.228 2.249 0.910 1.00 0.00 C ATOM 583 CD1 LEU A 37 0.801 0.939 0.395 1.00 0.00 C ATOM 584 CD2 LEU A 37 -0.251 3.112 -0.246 1.00 0.00 C ATOM 0 H LEU A 37 0.369 3.341 3.510 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.771 3.955 1.798 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.561 1.303 2.663 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.717 1.471 1.356 1.00 0.00 H new ATOM 0 HG LEU A 37 1.016 2.786 1.437 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.615 1.146 -0.300 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.180 0.353 1.233 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.020 0.377 -0.117 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.576 3.291 -0.933 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.056 2.600 -0.773 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.616 4.064 0.138 1.00 0.00 H new ATOM 596 N ASN A 38 -2.563 2.219 4.493 1.00 0.00 N ATOM 597 CA ASN A 38 -3.674 1.735 5.308 1.00 0.00 C ATOM 598 C ASN A 38 -4.495 2.895 5.845 1.00 0.00 C ATOM 599 O ASN A 38 -5.719 2.819 5.898 1.00 0.00 O ATOM 600 CB ASN A 38 -3.146 0.885 6.467 1.00 0.00 C ATOM 601 CG ASN A 38 -4.247 0.290 7.326 1.00 0.00 C ATOM 602 OD1 ASN A 38 -5.332 -0.035 6.845 1.00 0.00 O ATOM 603 ND2 ASN A 38 -3.966 0.140 8.613 1.00 0.00 N ATOM 0 H ASN A 38 -1.641 2.024 4.884 1.00 0.00 H new ATOM 0 HA ASN A 38 -4.318 1.120 4.679 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -2.531 0.079 6.066 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -2.498 1.499 7.093 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -4.662 -0.258 9.244 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -3.054 0.422 8.972 1.00 0.00 H new ATOM 610 N ASP A 39 -3.823 3.970 6.234 1.00 0.00 N ATOM 611 CA ASP A 39 -4.524 5.149 6.716 1.00 0.00 C ATOM 612 C ASP A 39 -5.417 5.711 5.620 1.00 0.00 C ATOM 613 O ASP A 39 -6.580 6.024 5.856 1.00 0.00 O ATOM 614 CB ASP A 39 -3.547 6.227 7.191 1.00 0.00 C ATOM 615 CG ASP A 39 -4.266 7.453 7.725 1.00 0.00 C ATOM 616 OD1 ASP A 39 -4.731 8.280 6.912 1.00 0.00 O ATOM 617 OD2 ASP A 39 -4.376 7.593 8.961 1.00 0.00 O ATOM 0 H ASP A 39 -2.806 4.049 6.225 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.136 4.848 7.566 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.905 5.816 7.970 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.899 6.518 6.364 1.00 0.00 H new ATOM 622 N ARG A 40 -4.873 5.807 4.413 1.00 0.00 N ATOM 623 CA ARG A 40 -5.622 6.349 3.291 1.00 0.00 C ATOM 624 C ARG A 40 -6.772 5.417 2.903 1.00 0.00 C ATOM 625 O ARG A 40 -7.844 5.884 2.541 1.00 0.00 O ATOM 626 CB ARG A 40 -4.709 6.609 2.088 1.00 0.00 C ATOM 627 CG ARG A 40 -3.485 7.469 2.405 1.00 0.00 C ATOM 628 CD ARG A 40 -3.820 8.648 3.311 1.00 0.00 C ATOM 629 NE ARG A 40 -2.668 9.542 3.502 1.00 0.00 N ATOM 630 CZ ARG A 40 -2.393 10.187 4.643 1.00 0.00 C ATOM 631 NH1 ARG A 40 -3.138 9.997 5.725 1.00 0.00 N ATOM 632 NH2 ARG A 40 -1.350 11.004 4.715 1.00 0.00 N ATOM 0 H ARG A 40 -3.921 5.518 4.189 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.044 7.304 3.605 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.373 5.653 1.687 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.289 7.097 1.305 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.725 6.851 2.884 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.055 7.840 1.475 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.648 9.211 2.881 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -4.155 8.277 4.280 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.036 9.680 2.713 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.929 9.354 5.693 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.919 10.494 6.589 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.754 11.143 3.899 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -1.144 11.493 5.586 1.00 0.00 H new ATOM 646 N PHE A 41 -6.546 4.103 2.993 1.00 0.00 N ATOM 647 CA PHE A 41 -7.615 3.115 2.800 1.00 0.00 C ATOM 648 C PHE A 41 -8.744 3.309 3.815 1.00 0.00 C ATOM 649 O PHE A 41 -9.894 2.945 3.563 1.00 0.00 O ATOM 650 CB PHE A 41 -7.070 1.694 2.920 1.00 0.00 C ATOM 651 CG PHE A 41 -6.445 1.206 1.656 1.00 0.00 C ATOM 652 CD1 PHE A 41 -7.137 1.303 0.466 1.00 0.00 C ATOM 653 CD2 PHE A 41 -5.177 0.652 1.649 1.00 0.00 C ATOM 654 CE1 PHE A 41 -6.583 0.862 -0.707 1.00 0.00 C ATOM 655 CE2 PHE A 41 -4.612 0.203 0.471 1.00 0.00 C ATOM 656 CZ PHE A 41 -5.319 0.308 -0.711 1.00 0.00 C ATOM 0 H PHE A 41 -5.633 3.697 3.198 1.00 0.00 H new ATOM 0 HA PHE A 41 -8.014 3.266 1.797 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -6.332 1.659 3.722 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -7.880 1.022 3.203 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -8.128 1.732 0.459 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.624 0.570 2.573 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -7.137 0.948 -1.630 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.622 -0.228 0.474 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.884 -0.042 -1.635 1.00 0.00 H new ATOM 666 N GLN A 42 -8.399 3.854 4.970 1.00 0.00 N ATOM 667 CA GLN A 42 -9.385 4.138 6.006 1.00 0.00 C ATOM 668 C GLN A 42 -10.096 5.466 5.743 1.00 0.00 C ATOM 669 O GLN A 42 -11.268 5.624 6.088 1.00 0.00 O ATOM 670 CB GLN A 42 -8.731 4.155 7.389 1.00 0.00 C ATOM 671 CG GLN A 42 -8.157 2.808 7.802 1.00 0.00 C ATOM 672 CD GLN A 42 -9.208 1.716 7.840 1.00 0.00 C ATOM 673 OE1 GLN A 42 -9.454 1.032 6.846 1.00 0.00 O ATOM 674 NE2 GLN A 42 -9.836 1.543 8.991 1.00 0.00 N ATOM 0 H GLN A 42 -7.443 4.110 5.216 1.00 0.00 H new ATOM 0 HA GLN A 42 -10.128 3.341 5.981 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.934 4.899 7.397 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -9.468 4.469 8.128 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.368 2.524 7.106 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.697 2.899 8.786 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -9.604 2.130 9.792 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -10.553 0.822 9.078 1.00 0.00 H new ATOM 683 N ARG A 43 -9.384 6.415 5.139 1.00 0.00 N ATOM 684 CA ARG A 43 -9.972 7.712 4.800 1.00 0.00 C ATOM 685 C ARG A 43 -10.887 7.555 3.595 1.00 0.00 C ATOM 686 O ARG A 43 -12.038 8.001 3.599 1.00 0.00 O ATOM 687 CB ARG A 43 -8.886 8.747 4.478 1.00 0.00 C ATOM 688 CG ARG A 43 -7.754 8.801 5.487 1.00 0.00 C ATOM 689 CD ARG A 43 -8.231 9.222 6.866 1.00 0.00 C ATOM 690 NE ARG A 43 -7.165 9.091 7.852 1.00 0.00 N ATOM 691 CZ ARG A 43 -7.264 9.464 9.123 1.00 0.00 C ATOM 692 NH1 ARG A 43 -8.363 10.071 9.562 1.00 0.00 N ATOM 693 NH2 ARG A 43 -6.259 9.232 9.956 1.00 0.00 N ATOM 0 H ARG A 43 -8.404 6.313 4.875 1.00 0.00 H new ATOM 0 HA ARG A 43 -10.540 8.064 5.661 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.470 8.526 3.495 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -9.347 9.732 4.415 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -7.281 7.821 5.552 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -6.993 9.500 5.139 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -8.577 10.255 6.835 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -9.082 8.609 7.163 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.282 8.685 7.544 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.136 10.252 8.922 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.433 10.355 10.539 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -5.415 8.769 9.620 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -6.330 9.517 10.933 1.00 0.00 H new ATOM 707 N GLN A 44 -10.357 6.919 2.563 1.00 0.00 N ATOM 708 CA GLN A 44 -11.125 6.597 1.377 1.00 0.00 C ATOM 709 C GLN A 44 -11.030 5.103 1.130 1.00 0.00 C ATOM 710 O GLN A 44 -9.946 4.531 1.185 1.00 0.00 O ATOM 711 CB GLN A 44 -10.615 7.364 0.150 1.00 0.00 C ATOM 712 CG GLN A 44 -10.702 8.879 0.282 1.00 0.00 C ATOM 713 CD GLN A 44 -9.388 9.525 0.696 1.00 0.00 C ATOM 714 OE1 GLN A 44 -8.563 8.920 1.378 1.00 0.00 O ATOM 715 NE2 GLN A 44 -9.191 10.769 0.290 1.00 0.00 N ATOM 0 H GLN A 44 -9.385 6.613 2.526 1.00 0.00 H new ATOM 0 HA GLN A 44 -12.162 6.891 1.539 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -9.577 7.085 -0.034 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -11.188 7.053 -0.723 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -11.022 9.302 -0.670 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -11.468 9.129 1.015 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -9.898 11.239 -0.275 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -8.332 11.258 0.542 1.00 0.00 H new ATOM 724 N LYS A 45 -12.157 4.479 0.835 1.00 0.00 N ATOM 725 CA LYS A 45 -12.210 3.030 0.718 1.00 0.00 C ATOM 726 C LYS A 45 -11.331 2.523 -0.418 1.00 0.00 C ATOM 727 O LYS A 45 -10.606 1.541 -0.251 1.00 0.00 O ATOM 728 CB LYS A 45 -13.659 2.568 0.553 1.00 0.00 C ATOM 729 CG LYS A 45 -14.505 2.877 1.776 1.00 0.00 C ATOM 730 CD LYS A 45 -15.942 2.421 1.611 1.00 0.00 C ATOM 731 CE LYS A 45 -16.737 2.701 2.875 1.00 0.00 C ATOM 732 NZ LYS A 45 -18.149 2.253 2.769 1.00 0.00 N ATOM 0 H LYS A 45 -13.047 4.951 0.672 1.00 0.00 H new ATOM 0 HA LYS A 45 -11.813 2.600 1.638 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.096 3.053 -0.320 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.677 1.495 0.363 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.070 2.390 2.649 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.486 3.950 1.967 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.398 2.936 0.766 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.968 1.355 1.387 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -16.262 2.199 3.718 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.713 3.770 3.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -18.648 2.466 3.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -18.613 2.750 1.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -18.176 1.228 2.594 1.00 0.00 H new ATOM 746 N TYR A 46 -11.372 3.201 -1.560 1.00 0.00 N ATOM 747 CA TYR A 46 -10.562 2.811 -2.707 1.00 0.00 C ATOM 748 C TYR A 46 -9.981 4.047 -3.384 1.00 0.00 C ATOM 749 O TYR A 46 -10.586 5.120 -3.347 1.00 0.00 O ATOM 750 CB TYR A 46 -11.393 2.002 -3.710 1.00 0.00 C ATOM 751 CG TYR A 46 -12.049 0.780 -3.104 1.00 0.00 C ATOM 752 CD1 TYR A 46 -11.284 -0.238 -2.546 1.00 0.00 C ATOM 753 CD2 TYR A 46 -13.430 0.658 -3.072 1.00 0.00 C ATOM 754 CE1 TYR A 46 -11.882 -1.346 -1.977 1.00 0.00 C ATOM 755 CE2 TYR A 46 -14.036 -0.446 -2.502 1.00 0.00 C ATOM 756 CZ TYR A 46 -13.256 -1.444 -1.957 1.00 0.00 C ATOM 757 OH TYR A 46 -13.854 -2.540 -1.381 1.00 0.00 O ATOM 0 H TYR A 46 -11.957 4.022 -1.715 1.00 0.00 H new ATOM 0 HA TYR A 46 -9.745 2.183 -2.352 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -12.164 2.646 -4.134 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -10.751 1.689 -4.533 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -10.207 -0.162 -2.557 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -14.042 1.438 -3.499 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -11.275 -2.131 -1.550 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -15.113 -0.526 -2.484 1.00 0.00 H new ATOM 0 HH TYR A 46 -14.828 -2.455 -1.449 1.00 0.00 H new ATOM 767 N LEU A 47 -8.810 3.897 -3.990 1.00 0.00 N ATOM 768 CA LEU A 47 -8.140 5.012 -4.656 1.00 0.00 C ATOM 769 C LEU A 47 -8.582 5.114 -6.114 1.00 0.00 C ATOM 770 O LEU A 47 -8.778 4.102 -6.784 1.00 0.00 O ATOM 771 CB LEU A 47 -6.612 4.861 -4.601 1.00 0.00 C ATOM 772 CG LEU A 47 -5.952 5.042 -3.223 1.00 0.00 C ATOM 773 CD1 LEU A 47 -6.418 6.326 -2.558 1.00 0.00 C ATOM 774 CD2 LEU A 47 -6.220 3.847 -2.324 1.00 0.00 C ATOM 0 H LEU A 47 -8.302 3.014 -4.035 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.422 5.921 -4.126 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.354 3.870 -4.975 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -6.173 5.585 -5.287 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.876 5.112 -3.381 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.936 6.428 -1.586 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.154 7.177 -3.185 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -7.499 6.295 -2.425 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.741 4.004 -1.358 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -7.295 3.732 -2.182 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.817 2.946 -2.787 1.00 0.00 H new ATOM 786 N SER A 48 -8.732 6.340 -6.594 1.00 0.00 N ATOM 787 CA SER A 48 -9.101 6.586 -7.975 1.00 0.00 C ATOM 788 C SER A 48 -7.862 6.541 -8.861 1.00 0.00 C ATOM 789 O SER A 48 -6.742 6.354 -8.377 1.00 0.00 O ATOM 790 CB SER A 48 -9.808 7.942 -8.104 1.00 0.00 C ATOM 791 OG SER A 48 -10.297 8.151 -9.419 1.00 0.00 O ATOM 0 H SER A 48 -8.602 7.186 -6.039 1.00 0.00 H new ATOM 0 HA SER A 48 -9.791 5.808 -8.301 1.00 0.00 H new ATOM 0 HB2 SER A 48 -10.635 7.991 -7.395 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.115 8.741 -7.841 1.00 0.00 H new ATOM 0 HG SER A 48 -10.743 9.022 -9.467 1.00 0.00 H new ATOM 797 N LEU A 49 -8.072 6.743 -10.148 1.00 0.00 N ATOM 798 CA LEU A 49 -7.009 6.620 -11.136 1.00 0.00 C ATOM 799 C LEU A 49 -5.950 7.696 -10.923 1.00 0.00 C ATOM 800 O LEU A 49 -4.757 7.466 -11.124 1.00 0.00 O ATOM 801 CB LEU A 49 -7.585 6.723 -12.550 1.00 0.00 C ATOM 802 CG LEU A 49 -6.637 6.295 -13.669 1.00 0.00 C ATOM 803 CD1 LEU A 49 -6.391 4.798 -13.604 1.00 0.00 C ATOM 804 CD2 LEU A 49 -7.195 6.694 -15.026 1.00 0.00 C ATOM 0 H LEU A 49 -8.979 6.996 -10.540 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.540 5.643 -11.015 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -8.486 6.111 -12.604 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.889 7.755 -12.727 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.684 6.807 -13.534 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.714 4.505 -14.407 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.945 4.544 -12.642 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -7.337 4.269 -13.716 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.505 6.380 -15.810 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.161 6.212 -15.178 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.320 7.776 -15.064 1.00 0.00 H new ATOM 816 N GLN A 50 -6.390 8.870 -10.500 1.00 0.00 N ATOM 817 CA GLN A 50 -5.473 9.965 -10.227 1.00 0.00 C ATOM 818 C GLN A 50 -4.753 9.730 -8.902 1.00 0.00 C ATOM 819 O GLN A 50 -3.592 10.087 -8.739 1.00 0.00 O ATOM 820 CB GLN A 50 -6.222 11.302 -10.199 1.00 0.00 C ATOM 821 CG GLN A 50 -5.308 12.512 -10.059 1.00 0.00 C ATOM 822 CD GLN A 50 -6.066 13.824 -10.072 1.00 0.00 C ATOM 823 OE1 GLN A 50 -7.217 13.898 -9.637 1.00 0.00 O ATOM 824 NE2 GLN A 50 -5.429 14.866 -10.572 1.00 0.00 N ATOM 0 H GLN A 50 -7.373 9.089 -10.339 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.733 10.005 -11.026 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.804 11.402 -11.115 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -6.930 11.295 -9.370 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -4.746 12.431 -9.129 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.582 12.509 -10.872 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.476 14.762 -10.922 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.889 15.776 -10.609 1.00 0.00 H new ATOM 833 N GLN A 51 -5.442 9.086 -7.977 1.00 0.00 N ATOM 834 CA GLN A 51 -4.925 8.887 -6.632 1.00 0.00 C ATOM 835 C GLN A 51 -3.847 7.804 -6.591 1.00 0.00 C ATOM 836 O GLN A 51 -2.916 7.879 -5.793 1.00 0.00 O ATOM 837 CB GLN A 51 -6.080 8.539 -5.702 1.00 0.00 C ATOM 838 CG GLN A 51 -7.102 9.661 -5.581 1.00 0.00 C ATOM 839 CD GLN A 51 -8.401 9.218 -4.941 1.00 0.00 C ATOM 840 OE1 GLN A 51 -8.422 8.311 -4.114 1.00 0.00 O ATOM 841 NE2 GLN A 51 -9.500 9.836 -5.344 1.00 0.00 N ATOM 0 H GLN A 51 -6.368 8.689 -8.133 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.453 9.812 -6.300 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -6.576 7.640 -6.068 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.686 8.305 -4.713 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -6.673 10.473 -4.993 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -7.311 10.062 -6.573 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -9.440 10.585 -6.033 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -10.407 9.563 -4.965 1.00 0.00 H new ATOM 850 N MET A 52 -3.968 6.801 -7.450 1.00 0.00 N ATOM 851 CA MET A 52 -2.961 5.742 -7.517 1.00 0.00 C ATOM 852 C MET A 52 -1.632 6.283 -8.036 1.00 0.00 C ATOM 853 O MET A 52 -0.574 5.930 -7.521 1.00 0.00 O ATOM 854 CB MET A 52 -3.454 4.562 -8.362 1.00 0.00 C ATOM 855 CG MET A 52 -3.867 4.931 -9.772 1.00 0.00 C ATOM 856 SD MET A 52 -4.608 3.550 -10.660 1.00 0.00 S ATOM 857 CE MET A 52 -6.008 3.174 -9.608 1.00 0.00 C ATOM 0 H MET A 52 -4.743 6.695 -8.105 1.00 0.00 H new ATOM 0 HA MET A 52 -2.795 5.373 -6.505 1.00 0.00 H new ATOM 0 HB2 MET A 52 -2.665 3.812 -8.412 1.00 0.00 H new ATOM 0 HB3 MET A 52 -4.302 4.099 -7.858 1.00 0.00 H new ATOM 0 HG2 MET A 52 -4.577 5.757 -9.734 1.00 0.00 H new ATOM 0 HG3 MET A 52 -2.995 5.285 -10.321 1.00 0.00 H new ATOM 0 HE1 MET A 52 -6.869 2.920 -10.226 1.00 0.00 H new ATOM 0 HE2 MET A 52 -5.762 2.330 -8.963 1.00 0.00 H new ATOM 0 HE3 MET A 52 -6.246 4.043 -8.994 1.00 0.00 H new ATOM 867 N GLN A 53 -1.675 7.157 -9.035 1.00 0.00 N ATOM 868 CA GLN A 53 -0.454 7.797 -9.509 1.00 0.00 C ATOM 869 C GLN A 53 0.006 8.855 -8.507 1.00 0.00 C ATOM 870 O GLN A 53 1.202 9.098 -8.352 1.00 0.00 O ATOM 871 CB GLN A 53 -0.631 8.406 -10.903 1.00 0.00 C ATOM 872 CG GLN A 53 -1.719 9.461 -11.003 1.00 0.00 C ATOM 873 CD GLN A 53 -1.650 10.251 -12.295 1.00 0.00 C ATOM 874 OE1 GLN A 53 -1.163 9.626 -13.354 1.00 0.00 O flip ATOM 875 NE2 GLN A 53 -2.032 11.420 -12.339 1.00 0.00 N flip ATOM 0 H GLN A 53 -2.525 7.435 -9.525 1.00 0.00 H new ATOM 0 HA GLN A 53 0.315 7.029 -9.592 1.00 0.00 H new ATOM 0 HB2 GLN A 53 0.315 8.849 -11.213 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -0.855 7.606 -11.608 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -2.694 8.980 -10.928 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -1.635 10.145 -10.159 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -2.402 11.868 -11.500 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -1.979 11.941 -13.214 1.00 0.00 H new ATOM 884 N GLU A 54 -0.958 9.478 -7.833 1.00 0.00 N ATOM 885 CA GLU A 54 -0.673 10.448 -6.782 1.00 0.00 C ATOM 886 C GLU A 54 0.155 9.794 -5.676 1.00 0.00 C ATOM 887 O GLU A 54 1.191 10.320 -5.270 1.00 0.00 O ATOM 888 CB GLU A 54 -1.996 11.002 -6.231 1.00 0.00 C ATOM 889 CG GLU A 54 -1.848 12.160 -5.257 1.00 0.00 C ATOM 890 CD GLU A 54 -3.179 12.829 -4.944 1.00 0.00 C ATOM 891 OE1 GLU A 54 -3.860 12.400 -3.992 1.00 0.00 O ATOM 892 OE2 GLU A 54 -3.544 13.792 -5.650 1.00 0.00 O ATOM 0 H GLU A 54 -1.953 9.325 -8.000 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.092 11.275 -7.190 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.614 11.327 -7.068 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.532 10.194 -5.734 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.400 11.798 -4.332 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.163 12.898 -5.675 1.00 0.00 H new ATOM 899 N LEU A 55 -0.290 8.625 -5.223 1.00 0.00 N ATOM 900 CA LEU A 55 0.433 7.863 -4.208 1.00 0.00 C ATOM 901 C LEU A 55 1.752 7.336 -4.769 1.00 0.00 C ATOM 902 O LEU A 55 2.766 7.290 -4.065 1.00 0.00 O ATOM 903 CB LEU A 55 -0.428 6.702 -3.700 1.00 0.00 C ATOM 904 CG LEU A 55 -0.656 6.667 -2.184 1.00 0.00 C ATOM 905 CD1 LEU A 55 0.670 6.600 -1.437 1.00 0.00 C ATOM 906 CD2 LEU A 55 -1.457 7.880 -1.733 1.00 0.00 C ATOM 0 H LEU A 55 -1.151 8.183 -5.544 1.00 0.00 H new ATOM 0 HA LEU A 55 0.654 8.527 -3.373 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.398 6.747 -4.195 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.041 5.765 -4.002 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.227 5.768 -1.950 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.482 6.576 -0.364 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.208 5.699 -1.731 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.270 7.477 -1.681 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.608 7.836 -0.654 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.913 8.790 -1.987 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.425 7.884 -2.235 1.00 0.00 H new ATOM 918 N SER A 56 1.724 6.941 -6.036 1.00 0.00 N ATOM 919 CA SER A 56 2.917 6.493 -6.744 1.00 0.00 C ATOM 920 C SER A 56 4.050 7.512 -6.625 1.00 0.00 C ATOM 921 O SER A 56 5.205 7.143 -6.403 1.00 0.00 O ATOM 922 CB SER A 56 2.567 6.257 -8.220 1.00 0.00 C ATOM 923 OG SER A 56 3.701 5.906 -8.993 1.00 0.00 O ATOM 0 H SER A 56 0.875 6.922 -6.601 1.00 0.00 H new ATOM 0 HA SER A 56 3.263 5.563 -6.293 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.822 5.465 -8.292 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.114 7.159 -8.632 1.00 0.00 H new ATOM 0 HG SER A 56 4.477 5.797 -8.405 1.00 0.00 H new ATOM 929 N ASN A 57 3.713 8.790 -6.749 1.00 0.00 N ATOM 930 CA ASN A 57 4.708 9.857 -6.667 1.00 0.00 C ATOM 931 C ASN A 57 5.259 9.989 -5.251 1.00 0.00 C ATOM 932 O ASN A 57 6.434 10.299 -5.059 1.00 0.00 O ATOM 933 CB ASN A 57 4.099 11.189 -7.124 1.00 0.00 C ATOM 934 CG ASN A 57 5.094 12.337 -7.067 1.00 0.00 C ATOM 935 OD1 ASN A 57 5.868 12.552 -8.002 1.00 0.00 O ATOM 936 ND2 ASN A 57 5.065 13.100 -5.984 1.00 0.00 N ATOM 0 H ASN A 57 2.759 9.115 -6.907 1.00 0.00 H new ATOM 0 HA ASN A 57 5.534 9.598 -7.329 1.00 0.00 H new ATOM 0 HB2 ASN A 57 3.729 11.084 -8.144 1.00 0.00 H new ATOM 0 HB3 ASN A 57 3.240 11.426 -6.496 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.697 13.896 -5.904 1.00 0.00 H new ATOM 0 HD22 ASN A 57 4.410 12.891 -5.230 1.00 0.00 H new ATOM 943 N ILE A 58 4.415 9.722 -4.261 1.00 0.00 N ATOM 944 CA ILE A 58 4.793 9.889 -2.863 1.00 0.00 C ATOM 945 C ILE A 58 5.827 8.852 -2.441 1.00 0.00 C ATOM 946 O ILE A 58 6.756 9.154 -1.686 1.00 0.00 O ATOM 947 CB ILE A 58 3.564 9.782 -1.937 1.00 0.00 C ATOM 948 CG1 ILE A 58 2.459 10.717 -2.431 1.00 0.00 C ATOM 949 CG2 ILE A 58 3.945 10.106 -0.497 1.00 0.00 C ATOM 950 CD1 ILE A 58 1.236 10.740 -1.541 1.00 0.00 C ATOM 0 H ILE A 58 3.462 9.388 -4.402 1.00 0.00 H new ATOM 0 HA ILE A 58 5.228 10.884 -2.769 1.00 0.00 H new ATOM 0 HB ILE A 58 3.192 8.758 -1.961 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.859 11.728 -2.509 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.161 10.414 -3.435 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.064 10.025 0.140 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.706 9.404 -0.155 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.338 11.121 -0.444 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.497 11.425 -1.956 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.810 9.738 -1.482 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.519 11.073 -0.542 1.00 0.00 H new ATOM 962 N LEU A 59 5.671 7.628 -2.926 1.00 0.00 N ATOM 963 CA LEU A 59 6.579 6.554 -2.547 1.00 0.00 C ATOM 964 C LEU A 59 7.667 6.357 -3.595 1.00 0.00 C ATOM 965 O LEU A 59 8.479 5.432 -3.492 1.00 0.00 O ATOM 966 CB LEU A 59 5.813 5.247 -2.328 1.00 0.00 C ATOM 967 CG LEU A 59 4.861 5.246 -1.129 1.00 0.00 C ATOM 968 CD1 LEU A 59 4.195 3.888 -0.976 1.00 0.00 C ATOM 969 CD2 LEU A 59 5.603 5.624 0.145 1.00 0.00 C ATOM 0 H LEU A 59 4.933 7.355 -3.575 1.00 0.00 H new ATOM 0 HA LEU A 59 7.056 6.840 -1.610 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.239 5.025 -3.228 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.533 4.439 -2.201 1.00 0.00 H new ATOM 0 HG LEU A 59 4.085 5.991 -1.308 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.522 3.907 -0.119 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.627 3.657 -1.878 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.957 3.124 -0.822 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.909 5.618 0.986 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.401 4.905 0.328 1.00 0.00 H new ATOM 0 HD23 LEU A 59 6.031 6.621 0.035 1.00 0.00 H new ATOM 981 N ASN A 60 7.680 7.246 -4.589 1.00 0.00 N ATOM 982 CA ASN A 60 8.636 7.185 -5.697 1.00 0.00 C ATOM 983 C ASN A 60 8.581 5.809 -6.365 1.00 0.00 C ATOM 984 O ASN A 60 9.603 5.176 -6.639 1.00 0.00 O ATOM 985 CB ASN A 60 10.056 7.517 -5.207 1.00 0.00 C ATOM 986 CG ASN A 60 11.012 7.841 -6.344 1.00 0.00 C ATOM 987 OD1 ASN A 60 11.046 8.967 -6.842 1.00 0.00 O ATOM 988 ND2 ASN A 60 11.822 6.874 -6.739 1.00 0.00 N ATOM 0 H ASN A 60 7.029 8.029 -4.649 1.00 0.00 H new ATOM 0 HA ASN A 60 8.363 7.933 -6.441 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.010 8.365 -4.524 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.446 6.672 -4.640 1.00 0.00 H new ATOM 0 HD21 ASN A 60 12.503 7.049 -7.478 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.766 5.953 -6.304 1.00 0.00 H new ATOM 995 N LEU A 61 7.365 5.350 -6.611 1.00 0.00 N ATOM 996 CA LEU A 61 7.139 4.073 -7.267 1.00 0.00 C ATOM 997 C LEU A 61 6.529 4.301 -8.637 1.00 0.00 C ATOM 998 O LEU A 61 6.355 5.442 -9.064 1.00 0.00 O ATOM 999 CB LEU A 61 6.221 3.184 -6.418 1.00 0.00 C ATOM 1000 CG LEU A 61 6.800 2.746 -5.069 1.00 0.00 C ATOM 1001 CD1 LEU A 61 5.789 1.913 -4.300 1.00 0.00 C ATOM 1002 CD2 LEU A 61 8.088 1.966 -5.268 1.00 0.00 C ATOM 0 H LEU A 61 6.511 5.849 -6.363 1.00 0.00 H new ATOM 0 HA LEU A 61 8.096 3.564 -7.382 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.289 3.719 -6.238 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.971 2.293 -6.994 1.00 0.00 H new ATOM 0 HG LEU A 61 7.025 3.640 -4.487 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.218 1.611 -3.345 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.890 2.503 -4.124 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.533 1.026 -4.879 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.484 1.664 -4.298 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.887 1.080 -5.870 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.818 2.594 -5.778 1.00 0.00 H new ATOM 1014 N SER A 62 6.212 3.219 -9.319 1.00 0.00 N ATOM 1015 CA SER A 62 5.630 3.302 -10.640 1.00 0.00 C ATOM 1016 C SER A 62 4.111 3.233 -10.560 1.00 0.00 C ATOM 1017 O SER A 62 3.552 2.479 -9.759 1.00 0.00 O ATOM 1018 CB SER A 62 6.176 2.168 -11.511 1.00 0.00 C ATOM 1019 OG SER A 62 5.479 2.066 -12.742 1.00 0.00 O ATOM 0 H SER A 62 6.349 2.268 -8.977 1.00 0.00 H new ATOM 0 HA SER A 62 5.900 4.257 -11.090 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.235 2.337 -11.706 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.098 1.225 -10.970 1.00 0.00 H new ATOM 0 HG SER A 62 5.856 1.333 -13.272 1.00 0.00 H new ATOM 1025 N TYR A 63 3.452 4.032 -11.388 1.00 0.00 N ATOM 1026 CA TYR A 63 2.001 4.010 -11.499 1.00 0.00 C ATOM 1027 C TYR A 63 1.527 2.615 -11.893 1.00 0.00 C ATOM 1028 O TYR A 63 0.492 2.141 -11.426 1.00 0.00 O ATOM 1029 CB TYR A 63 1.547 5.052 -12.531 1.00 0.00 C ATOM 1030 CG TYR A 63 0.174 4.794 -13.122 1.00 0.00 C ATOM 1031 CD1 TYR A 63 -0.987 5.127 -12.433 1.00 0.00 C ATOM 1032 CD2 TYR A 63 0.048 4.209 -14.374 1.00 0.00 C ATOM 1033 CE1 TYR A 63 -2.233 4.882 -12.980 1.00 0.00 C ATOM 1034 CE2 TYR A 63 -1.191 3.961 -14.923 1.00 0.00 C ATOM 1035 CZ TYR A 63 -2.327 4.298 -14.226 1.00 0.00 C ATOM 1036 OH TYR A 63 -3.560 4.050 -14.779 1.00 0.00 O ATOM 0 H TYR A 63 3.906 4.711 -11.999 1.00 0.00 H new ATOM 0 HA TYR A 63 1.560 4.259 -10.534 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.547 6.035 -12.060 1.00 0.00 H new ATOM 0 HB3 TYR A 63 2.277 5.086 -13.340 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -0.914 5.583 -11.457 1.00 0.00 H new ATOM 0 HD2 TYR A 63 0.937 3.944 -14.928 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -3.127 5.146 -12.435 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -1.270 3.503 -15.898 1.00 0.00 H new ATOM 0 HH TYR A 63 -3.846 4.828 -15.302 1.00 0.00 H new ATOM 1046 N LYS A 64 2.311 1.949 -12.728 1.00 0.00 N ATOM 1047 CA LYS A 64 1.994 0.596 -13.158 1.00 0.00 C ATOM 1048 C LYS A 64 2.042 -0.348 -11.969 1.00 0.00 C ATOM 1049 O LYS A 64 1.242 -1.278 -11.865 1.00 0.00 O ATOM 1050 CB LYS A 64 2.977 0.122 -14.229 1.00 0.00 C ATOM 1051 CG LYS A 64 2.436 0.186 -15.648 1.00 0.00 C ATOM 1052 CD LYS A 64 2.132 1.609 -16.083 1.00 0.00 C ATOM 1053 CE LYS A 64 1.755 1.658 -17.554 1.00 0.00 C ATOM 1054 NZ LYS A 64 1.490 3.041 -18.022 1.00 0.00 N ATOM 0 H LYS A 64 3.173 2.325 -13.122 1.00 0.00 H new ATOM 0 HA LYS A 64 0.990 0.598 -13.583 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.881 0.728 -14.170 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.268 -0.905 -14.010 1.00 0.00 H new ATOM 0 HG2 LYS A 64 3.162 -0.254 -16.332 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.529 -0.415 -15.717 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.317 2.011 -15.481 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.002 2.241 -15.905 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.560 1.224 -18.148 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.869 1.045 -17.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.237 3.024 -19.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 0.705 3.448 -17.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.342 3.622 -17.889 1.00 0.00 H new ATOM 1068 N GLN A 65 2.981 -0.090 -11.066 1.00 0.00 N ATOM 1069 CA GLN A 65 3.120 -0.886 -9.860 1.00 0.00 C ATOM 1070 C GLN A 65 1.967 -0.615 -8.908 1.00 0.00 C ATOM 1071 O GLN A 65 1.353 -1.549 -8.404 1.00 0.00 O ATOM 1072 CB GLN A 65 4.458 -0.599 -9.168 1.00 0.00 C ATOM 1073 CG GLN A 65 5.668 -1.041 -9.975 1.00 0.00 C ATOM 1074 CD GLN A 65 5.684 -2.532 -10.249 1.00 0.00 C ATOM 1075 OE1 GLN A 65 6.207 -3.314 -9.459 1.00 0.00 O ATOM 1076 NE2 GLN A 65 5.130 -2.935 -11.381 1.00 0.00 N ATOM 0 H GLN A 65 3.658 0.668 -11.150 1.00 0.00 H new ATOM 0 HA GLN A 65 3.099 -1.938 -10.144 1.00 0.00 H new ATOM 0 HB2 GLN A 65 4.534 0.470 -8.972 1.00 0.00 H new ATOM 0 HB3 GLN A 65 4.473 -1.102 -8.201 1.00 0.00 H new ATOM 0 HG2 GLN A 65 5.682 -0.503 -10.923 1.00 0.00 H new ATOM 0 HG3 GLN A 65 6.576 -0.766 -9.438 1.00 0.00 H new ATOM 0 HE21 GLN A 65 4.705 -2.255 -12.011 1.00 0.00 H new ATOM 0 HE22 GLN A 65 5.127 -3.926 -11.623 1.00 0.00 H new ATOM 1085 N VAL A 66 1.646 0.661 -8.701 1.00 0.00 N ATOM 1086 CA VAL A 66 0.609 1.033 -7.735 1.00 0.00 C ATOM 1087 C VAL A 66 -0.774 0.593 -8.216 1.00 0.00 C ATOM 1088 O VAL A 66 -1.582 0.091 -7.434 1.00 0.00 O ATOM 1089 CB VAL A 66 0.618 2.552 -7.426 1.00 0.00 C ATOM 1090 CG1 VAL A 66 -0.451 2.894 -6.394 1.00 0.00 C ATOM 1091 CG2 VAL A 66 1.990 2.976 -6.927 1.00 0.00 C ATOM 0 H VAL A 66 2.082 1.448 -9.182 1.00 0.00 H new ATOM 0 HA VAL A 66 0.838 0.508 -6.807 1.00 0.00 H new ATOM 0 HB VAL A 66 0.395 3.095 -8.344 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.430 3.964 -6.189 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.432 2.618 -6.781 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.256 2.345 -5.473 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.985 4.045 -6.713 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.233 2.425 -6.018 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.737 2.763 -7.691 1.00 0.00 H new ATOM 1101 N LYS A 67 -1.028 0.749 -9.509 1.00 0.00 N ATOM 1102 CA LYS A 67 -2.310 0.368 -10.092 1.00 0.00 C ATOM 1103 C LYS A 67 -2.528 -1.142 -9.987 1.00 0.00 C ATOM 1104 O LYS A 67 -3.601 -1.606 -9.595 1.00 0.00 O ATOM 1105 CB LYS A 67 -2.371 0.827 -11.556 1.00 0.00 C ATOM 1106 CG LYS A 67 -3.746 0.710 -12.198 1.00 0.00 C ATOM 1107 CD LYS A 67 -3.900 -0.566 -13.011 1.00 0.00 C ATOM 1108 CE LYS A 67 -5.284 -0.653 -13.634 1.00 0.00 C ATOM 1109 NZ LYS A 67 -5.409 -1.803 -14.566 1.00 0.00 N ATOM 0 H LYS A 67 -0.362 1.138 -10.176 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.109 0.858 -9.535 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.045 1.866 -11.612 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.661 0.239 -12.138 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.510 0.737 -11.421 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.917 1.572 -12.843 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.143 -0.596 -13.794 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.731 -1.432 -12.371 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.031 -0.744 -12.845 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.498 0.272 -14.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.369 -1.822 -14.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -4.715 -1.704 -15.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.231 -2.689 -14.051 1.00 0.00 H new ATOM 1123 N THR A 68 -1.491 -1.897 -10.307 1.00 0.00 N ATOM 1124 CA THR A 68 -1.566 -3.350 -10.295 1.00 0.00 C ATOM 1125 C THR A 68 -1.550 -3.890 -8.865 1.00 0.00 C ATOM 1126 O THR A 68 -2.259 -4.847 -8.550 1.00 0.00 O ATOM 1127 CB THR A 68 -0.411 -3.967 -11.109 1.00 0.00 C ATOM 1128 OG1 THR A 68 -0.354 -3.351 -12.404 1.00 0.00 O ATOM 1129 CG2 THR A 68 -0.597 -5.468 -11.275 1.00 0.00 C ATOM 0 H THR A 68 -0.581 -1.526 -10.580 1.00 0.00 H new ATOM 0 HA THR A 68 -2.510 -3.635 -10.760 1.00 0.00 H new ATOM 0 HB THR A 68 0.519 -3.791 -10.568 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.060 -2.466 -12.327 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.232 -5.876 -11.853 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.623 -5.942 -10.294 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.534 -5.663 -11.797 1.00 0.00 H new ATOM 1137 N TRP A 69 -0.759 -3.264 -7.997 1.00 0.00 N ATOM 1138 CA TRP A 69 -0.703 -3.658 -6.597 1.00 0.00 C ATOM 1139 C TRP A 69 -2.071 -3.482 -5.960 1.00 0.00 C ATOM 1140 O TRP A 69 -2.540 -4.351 -5.233 1.00 0.00 O ATOM 1141 CB TRP A 69 0.339 -2.831 -5.839 1.00 0.00 C ATOM 1142 CG TRP A 69 0.508 -3.242 -4.405 1.00 0.00 C ATOM 1143 CD1 TRP A 69 1.324 -4.225 -3.932 1.00 0.00 C ATOM 1144 CD2 TRP A 69 -0.151 -2.680 -3.261 1.00 0.00 C ATOM 1145 NE1 TRP A 69 1.211 -4.313 -2.566 1.00 0.00 N ATOM 1146 CE2 TRP A 69 0.312 -3.375 -2.131 1.00 0.00 C ATOM 1147 CE3 TRP A 69 -1.087 -1.657 -3.085 1.00 0.00 C ATOM 1148 CZ2 TRP A 69 -0.129 -3.083 -0.841 1.00 0.00 C ATOM 1149 CZ3 TRP A 69 -1.525 -1.367 -1.806 1.00 0.00 C ATOM 1150 CH2 TRP A 69 -1.045 -2.078 -0.698 1.00 0.00 C ATOM 0 H TRP A 69 -0.150 -2.483 -8.241 1.00 0.00 H new ATOM 0 HA TRP A 69 -0.411 -4.707 -6.543 1.00 0.00 H new ATOM 0 HB2 TRP A 69 1.299 -2.917 -6.348 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.052 -1.780 -5.875 1.00 0.00 H new ATOM 0 HD1 TRP A 69 1.965 -4.844 -4.542 1.00 0.00 H new ATOM 0 HE1 TRP A 69 1.715 -4.971 -1.971 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -1.461 -1.103 -3.933 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 0.239 -3.631 0.014 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -2.249 -0.579 -1.658 1.00 0.00 H new ATOM 0 HH2 TRP A 69 -1.406 -1.827 0.289 1.00 0.00 H new ATOM 1161 N PHE A 70 -2.711 -2.358 -6.257 1.00 0.00 N ATOM 1162 CA PHE A 70 -4.042 -2.070 -5.744 1.00 0.00 C ATOM 1163 C PHE A 70 -5.019 -3.178 -6.136 1.00 0.00 C ATOM 1164 O PHE A 70 -5.788 -3.663 -5.304 1.00 0.00 O ATOM 1165 CB PHE A 70 -4.528 -0.714 -6.268 1.00 0.00 C ATOM 1166 CG PHE A 70 -5.953 -0.395 -5.905 1.00 0.00 C ATOM 1167 CD1 PHE A 70 -6.306 -0.111 -4.596 1.00 0.00 C ATOM 1168 CD2 PHE A 70 -6.938 -0.385 -6.878 1.00 0.00 C ATOM 1169 CE1 PHE A 70 -7.618 0.175 -4.265 1.00 0.00 C ATOM 1170 CE2 PHE A 70 -8.249 -0.102 -6.554 1.00 0.00 C ATOM 1171 CZ PHE A 70 -8.590 0.179 -5.246 1.00 0.00 C ATOM 0 H PHE A 70 -2.325 -1.627 -6.855 1.00 0.00 H new ATOM 0 HA PHE A 70 -3.994 -2.026 -4.656 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -3.879 0.070 -5.876 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -4.428 -0.698 -7.353 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.549 -0.113 -3.826 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.677 -0.601 -7.903 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -7.882 0.395 -3.241 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -9.008 -0.100 -7.323 1.00 0.00 H new ATOM 0 HZ PHE A 70 -9.615 0.402 -4.990 1.00 0.00 H new ATOM 1181 N GLN A 71 -4.968 -3.593 -7.398 1.00 0.00 N ATOM 1182 CA GLN A 71 -5.843 -4.656 -7.886 1.00 0.00 C ATOM 1183 C GLN A 71 -5.550 -5.977 -7.168 1.00 0.00 C ATOM 1184 O GLN A 71 -6.459 -6.665 -6.706 1.00 0.00 O ATOM 1185 CB GLN A 71 -5.667 -4.847 -9.394 1.00 0.00 C ATOM 1186 CG GLN A 71 -5.976 -3.611 -10.224 1.00 0.00 C ATOM 1187 CD GLN A 71 -7.439 -3.217 -10.183 1.00 0.00 C ATOM 1188 OE1 GLN A 71 -8.238 -3.673 -11.003 1.00 0.00 O ATOM 1189 NE2 GLN A 71 -7.798 -2.364 -9.239 1.00 0.00 N ATOM 0 H GLN A 71 -4.333 -3.212 -8.100 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.872 -4.361 -7.678 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -4.640 -5.155 -9.592 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -6.313 -5.661 -9.723 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -5.372 -2.779 -9.864 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -5.684 -3.793 -11.258 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.104 -2.011 -8.580 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -8.769 -2.059 -9.170 1.00 0.00 H new ATOM 1198 N ASN A 72 -4.271 -6.306 -7.062 1.00 0.00 N ATOM 1199 CA ASN A 72 -3.837 -7.576 -6.490 1.00 0.00 C ATOM 1200 C ASN A 72 -4.049 -7.603 -4.981 1.00 0.00 C ATOM 1201 O ASN A 72 -4.291 -8.658 -4.390 1.00 0.00 O ATOM 1202 CB ASN A 72 -2.363 -7.832 -6.821 1.00 0.00 C ATOM 1203 CG ASN A 72 -1.838 -9.123 -6.214 1.00 0.00 C ATOM 1204 OD1 ASN A 72 -1.301 -9.129 -5.107 1.00 0.00 O ATOM 1205 ND2 ASN A 72 -1.998 -10.225 -6.930 1.00 0.00 N ATOM 0 H ASN A 72 -3.506 -5.704 -7.368 1.00 0.00 H new ATOM 0 HA ASN A 72 -4.443 -8.367 -6.931 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.240 -7.868 -7.903 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.764 -6.996 -6.460 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -1.671 -11.121 -6.568 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -2.448 -10.178 -7.844 1.00 0.00 H new ATOM 1212 N GLN A 73 -3.957 -6.446 -4.353 1.00 0.00 N ATOM 1213 CA GLN A 73 -4.189 -6.344 -2.926 1.00 0.00 C ATOM 1214 C GLN A 73 -5.661 -6.591 -2.629 1.00 0.00 C ATOM 1215 O GLN A 73 -6.007 -7.246 -1.648 1.00 0.00 O ATOM 1216 CB GLN A 73 -3.748 -4.976 -2.396 1.00 0.00 C ATOM 1217 CG GLN A 73 -3.762 -4.880 -0.878 1.00 0.00 C ATOM 1218 CD GLN A 73 -2.999 -6.010 -0.211 1.00 0.00 C ATOM 1219 OE1 GLN A 73 -2.053 -6.566 -0.776 1.00 0.00 O ATOM 1220 NE2 GLN A 73 -3.408 -6.360 0.997 1.00 0.00 N ATOM 0 H GLN A 73 -3.723 -5.564 -4.809 1.00 0.00 H new ATOM 0 HA GLN A 73 -3.593 -7.102 -2.417 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -2.742 -4.763 -2.756 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -4.403 -4.208 -2.807 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -3.329 -3.927 -0.575 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -4.794 -4.888 -0.527 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -4.194 -5.875 1.430 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -2.937 -7.115 1.496 1.00 0.00 H new ATOM 1229 N ARG A 74 -6.523 -6.076 -3.493 1.00 0.00 N ATOM 1230 CA ARG A 74 -7.950 -6.291 -3.349 1.00 0.00 C ATOM 1231 C ARG A 74 -8.333 -7.727 -3.713 1.00 0.00 C ATOM 1232 O ARG A 74 -9.172 -8.333 -3.050 1.00 0.00 O ATOM 1233 CB ARG A 74 -8.742 -5.294 -4.198 1.00 0.00 C ATOM 1234 CG ARG A 74 -10.230 -5.305 -3.891 1.00 0.00 C ATOM 1235 CD ARG A 74 -10.485 -5.065 -2.410 1.00 0.00 C ATOM 1236 NE ARG A 74 -11.906 -5.124 -2.078 1.00 0.00 N ATOM 1237 CZ ARG A 74 -12.385 -5.471 -0.883 1.00 0.00 C ATOM 1238 NH1 ARG A 74 -11.557 -5.814 0.100 1.00 0.00 N ATOM 1239 NH2 ARG A 74 -13.698 -5.472 -0.673 1.00 0.00 N ATOM 0 H ARG A 74 -6.258 -5.508 -4.298 1.00 0.00 H new ATOM 0 HA ARG A 74 -8.204 -6.128 -2.302 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.349 -4.291 -4.032 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.592 -5.524 -5.253 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.732 -4.536 -4.479 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -10.659 -6.263 -4.187 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -9.946 -5.810 -1.825 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -10.088 -4.090 -2.128 1.00 0.00 H new ATOM 0 HE ARG A 74 -12.576 -4.884 -2.808 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -10.549 -5.813 -0.058 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -11.930 -6.078 1.012 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -14.335 -5.208 -1.425 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -14.068 -5.737 0.240 1.00 0.00 H new ATOM 1253 N MET A 75 -7.710 -8.282 -4.754 1.00 0.00 N ATOM 1254 CA MET A 75 -8.091 -9.618 -5.223 1.00 0.00 C ATOM 1255 C MET A 75 -7.720 -10.701 -4.208 1.00 0.00 C ATOM 1256 O MET A 75 -8.379 -11.735 -4.134 1.00 0.00 O ATOM 1257 CB MET A 75 -7.474 -9.938 -6.594 1.00 0.00 C ATOM 1258 CG MET A 75 -5.969 -10.141 -6.575 1.00 0.00 C ATOM 1259 SD MET A 75 -5.296 -10.562 -8.196 1.00 0.00 S ATOM 1260 CE MET A 75 -5.885 -9.187 -9.183 1.00 0.00 C ATOM 0 H MET A 75 -6.956 -7.840 -5.279 1.00 0.00 H new ATOM 0 HA MET A 75 -9.175 -9.612 -5.333 1.00 0.00 H new ATOM 0 HB2 MET A 75 -7.944 -10.838 -6.989 1.00 0.00 H new ATOM 0 HB3 MET A 75 -7.710 -9.127 -7.283 1.00 0.00 H new ATOM 0 HG2 MET A 75 -5.489 -9.231 -6.213 1.00 0.00 H new ATOM 0 HG3 MET A 75 -5.723 -10.934 -5.868 1.00 0.00 H new ATOM 0 HE1 MET A 75 -5.124 -8.911 -9.914 1.00 0.00 H new ATOM 0 HE2 MET A 75 -6.799 -9.477 -9.702 1.00 0.00 H new ATOM 0 HE3 MET A 75 -6.091 -8.335 -8.535 1.00 0.00 H new ATOM 1270 N LYS A 76 -6.680 -10.461 -3.413 1.00 0.00 N ATOM 1271 CA LYS A 76 -6.269 -11.432 -2.400 1.00 0.00 C ATOM 1272 C LYS A 76 -7.194 -11.369 -1.185 1.00 0.00 C ATOM 1273 O LYS A 76 -7.260 -12.304 -0.395 1.00 0.00 O ATOM 1274 CB LYS A 76 -4.814 -11.220 -1.967 1.00 0.00 C ATOM 1275 CG LYS A 76 -4.556 -9.889 -1.279 1.00 0.00 C ATOM 1276 CD LYS A 76 -3.183 -9.851 -0.623 1.00 0.00 C ATOM 1277 CE LYS A 76 -2.061 -9.958 -1.643 1.00 0.00 C ATOM 1278 NZ LYS A 76 -2.018 -8.775 -2.542 1.00 0.00 N ATOM 0 H LYS A 76 -6.112 -9.614 -3.448 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.343 -12.421 -2.851 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.526 -12.027 -1.293 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -4.171 -11.293 -2.844 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -4.634 -9.082 -2.007 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -5.324 -9.714 -0.526 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.075 -8.923 -0.062 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.101 -10.668 0.093 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.107 -10.056 -1.125 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.195 -10.862 -2.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.320 -8.937 -3.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.956 -8.626 -2.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.748 -7.933 -1.995 1.00 0.00 H new