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 67 LYS NZ :NH3+ -136:sc= 1.2 (180deg=0) USER MOD Set 1.2: A 71 GLN : amide:sc= 0.622 K(o=1.8,f=-8.8!) USER MOD Set 2.1: A 44 GLN : amide:sc= 1.65 K(o=1.8,f=-4.9) USER MOD Set 2.2: A 51 GLN : amide:sc= 0.14 K(o=1.8,f=-4.9!) USER MOD Set 3.1: A 38 ASN : amide:sc= -0.121 X(o=-0.32,f=0) USER MOD Set 3.2: A 42 GLN : amide:sc= -0.194 X(o=-0.32,f=0) USER MOD Set 4.1: A 30 SER OG : rot 92:sc= 0.448 USER MOD Set 4.2: A 33 GLN : amide:sc= -0.202 X(o=0.25,f=0.19) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0241 USER MOD Single : A 35 CYS SG : rot 74:sc= 0.294 USER MOD Single : A 45 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0172) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= -0.0405 USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 52 MET CE :methyl 160:sc= -0.268 (180deg=-0.99) USER MOD Single : A 53 GLN : amide:sc= -0.536 K(o=-0.54,f=0) USER MOD Single : A 56 SER OG : rot 16:sc= 0.916 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 60 ASN : amide:sc= -0.122 K(o=-0.12,f=-1.1!) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0628 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= 0.847 K(o=0.85,f=-5.9!) USER MOD Single : A 68 THR OG1 : rot 70:sc= 1.28 USER MOD Single : A 72 ASN : amide:sc=-0.00516 K(o=-0.0052,f=-1.4) USER MOD Single : A 73 GLN : amide:sc= -0.227 X(o=-0.23,f=-0.36) USER MOD Single : A 75 MET CE :methyl -177:sc= -0.671 (180deg=-0.814) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 478 N SER A 30 7.934 -0.176 2.895 1.00 0.00 N ATOM 479 CA SER A 30 8.389 0.175 4.234 1.00 0.00 C ATOM 480 C SER A 30 7.197 0.511 5.120 1.00 0.00 C ATOM 481 O SER A 30 6.156 0.931 4.616 1.00 0.00 O ATOM 482 CB SER A 30 9.342 1.369 4.153 1.00 0.00 C ATOM 483 OG SER A 30 10.335 1.154 3.165 1.00 0.00 O ATOM 0 HA SER A 30 8.916 -0.674 4.670 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.780 2.273 3.920 1.00 0.00 H new ATOM 0 HB3 SER A 30 9.815 1.529 5.122 1.00 0.00 H new ATOM 0 HG SER A 30 10.034 1.529 2.311 1.00 0.00 H new ATOM 489 N SER A 31 7.351 0.343 6.432 1.00 0.00 N ATOM 490 CA SER A 31 6.274 0.633 7.376 1.00 0.00 C ATOM 491 C SER A 31 5.805 2.078 7.236 1.00 0.00 C ATOM 492 O SER A 31 4.621 2.365 7.356 1.00 0.00 O ATOM 493 CB SER A 31 6.731 0.353 8.808 1.00 0.00 C ATOM 494 OG SER A 31 7.027 -1.024 8.981 1.00 0.00 O ATOM 0 H SER A 31 8.211 0.008 6.865 1.00 0.00 H new ATOM 0 HA SER A 31 5.432 -0.020 7.146 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.613 0.951 9.037 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.952 0.653 9.509 1.00 0.00 H new ATOM 0 HG SER A 31 7.319 -1.182 9.903 1.00 0.00 H new ATOM 500 N THR A 32 6.738 2.978 6.952 1.00 0.00 N ATOM 501 CA THR A 32 6.400 4.371 6.697 1.00 0.00 C ATOM 502 C THR A 32 5.374 4.471 5.568 1.00 0.00 C ATOM 503 O THR A 32 4.361 5.162 5.682 1.00 0.00 O ATOM 504 CB THR A 32 7.658 5.171 6.310 1.00 0.00 C ATOM 505 OG1 THR A 32 8.772 4.727 7.098 1.00 0.00 O ATOM 506 CG2 THR A 32 7.444 6.663 6.524 1.00 0.00 C ATOM 0 H THR A 32 7.734 2.767 6.893 1.00 0.00 H new ATOM 0 HA THR A 32 5.976 4.788 7.611 1.00 0.00 H new ATOM 0 HB THR A 32 7.861 5.001 5.253 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.572 5.236 6.849 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.348 7.204 6.243 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.611 7.003 5.909 1.00 0.00 H new ATOM 0 HG23 THR A 32 7.220 6.852 7.574 1.00 0.00 H new ATOM 514 N GLN A 33 5.634 3.732 4.496 1.00 0.00 N ATOM 515 CA GLN A 33 4.758 3.718 3.336 1.00 0.00 C ATOM 516 C GLN A 33 3.461 2.996 3.677 1.00 0.00 C ATOM 517 O GLN A 33 2.374 3.458 3.338 1.00 0.00 O ATOM 518 CB GLN A 33 5.454 3.018 2.164 1.00 0.00 C ATOM 519 CG GLN A 33 6.882 3.489 1.940 1.00 0.00 C ATOM 520 CD GLN A 33 7.615 2.670 0.893 1.00 0.00 C ATOM 521 OE1 GLN A 33 8.825 2.478 0.981 1.00 0.00 O ATOM 522 NE2 GLN A 33 6.890 2.181 -0.101 1.00 0.00 N ATOM 0 H GLN A 33 6.453 3.130 4.408 1.00 0.00 H new ATOM 0 HA GLN A 33 4.529 4.745 3.050 1.00 0.00 H new ATOM 0 HB2 GLN A 33 5.458 1.943 2.343 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.877 3.187 1.255 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.871 4.535 1.634 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.428 3.438 2.882 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.887 2.363 -0.138 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.334 1.622 -0.829 1.00 0.00 H new ATOM 531 N LEU A 34 3.596 1.860 4.353 1.00 0.00 N ATOM 532 CA LEU A 34 2.447 1.065 4.770 1.00 0.00 C ATOM 533 C LEU A 34 1.517 1.862 5.678 1.00 0.00 C ATOM 534 O LEU A 34 0.301 1.801 5.519 1.00 0.00 O ATOM 535 CB LEU A 34 2.910 -0.209 5.476 1.00 0.00 C ATOM 536 CG LEU A 34 3.653 -1.209 4.589 1.00 0.00 C ATOM 537 CD1 LEU A 34 4.120 -2.403 5.407 1.00 0.00 C ATOM 538 CD2 LEU A 34 2.766 -1.664 3.440 1.00 0.00 C ATOM 0 H LEU A 34 4.497 1.467 4.625 1.00 0.00 H new ATOM 0 HA LEU A 34 1.889 0.793 3.874 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.560 0.070 6.306 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.039 -0.705 5.905 1.00 0.00 H new ATOM 0 HG LEU A 34 4.530 -0.714 4.172 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.647 -3.104 4.759 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.791 -2.063 6.196 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.257 -2.898 5.853 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.311 -2.375 2.819 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.871 -2.142 3.838 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.480 -0.802 2.838 1.00 0.00 H new ATOM 550 N CYS A 35 2.087 2.607 6.621 1.00 0.00 N ATOM 551 CA CYS A 35 1.297 3.461 7.499 1.00 0.00 C ATOM 552 C CYS A 35 0.449 4.432 6.686 1.00 0.00 C ATOM 553 O CYS A 35 -0.736 4.604 6.959 1.00 0.00 O ATOM 554 CB CYS A 35 2.197 4.241 8.461 1.00 0.00 C ATOM 555 SG CYS A 35 2.937 3.247 9.779 1.00 0.00 S ATOM 0 H CYS A 35 3.092 2.636 6.796 1.00 0.00 H new ATOM 0 HA CYS A 35 0.638 2.817 8.082 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.996 4.712 7.888 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.613 5.043 8.913 1.00 0.00 H new ATOM 0 HG CYS A 35 3.894 2.517 9.287 1.00 0.00 H new ATOM 561 N VAL A 36 1.057 5.047 5.674 1.00 0.00 N ATOM 562 CA VAL A 36 0.353 5.998 4.816 1.00 0.00 C ATOM 563 C VAL A 36 -0.750 5.302 4.015 1.00 0.00 C ATOM 564 O VAL A 36 -1.873 5.800 3.922 1.00 0.00 O ATOM 565 CB VAL A 36 1.326 6.715 3.848 1.00 0.00 C ATOM 566 CG1 VAL A 36 0.582 7.668 2.924 1.00 0.00 C ATOM 567 CG2 VAL A 36 2.398 7.460 4.631 1.00 0.00 C ATOM 0 H VAL A 36 2.036 4.904 5.428 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.100 6.745 5.469 1.00 0.00 H new ATOM 0 HB VAL A 36 1.806 5.957 3.229 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.292 8.156 2.257 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.145 7.110 2.335 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.065 8.422 3.518 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.075 7.959 3.937 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.928 8.202 5.276 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.960 6.753 5.241 1.00 0.00 H new ATOM 577 N LEU A 37 -0.429 4.145 3.448 1.00 0.00 N ATOM 578 CA LEU A 37 -1.388 3.385 2.656 1.00 0.00 C ATOM 579 C LEU A 37 -2.555 2.911 3.521 1.00 0.00 C ATOM 580 O LEU A 37 -3.722 3.040 3.144 1.00 0.00 O ATOM 581 CB LEU A 37 -0.696 2.189 1.990 1.00 0.00 C ATOM 582 CG LEU A 37 0.447 2.549 1.036 1.00 0.00 C ATOM 583 CD1 LEU A 37 1.125 1.294 0.515 1.00 0.00 C ATOM 584 CD2 LEU A 37 -0.070 3.389 -0.121 1.00 0.00 C ATOM 0 H LEU A 37 0.491 3.712 3.523 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.785 4.039 1.879 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.306 1.535 2.769 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.443 1.618 1.438 1.00 0.00 H new ATOM 0 HG LEU A 37 1.182 3.134 1.589 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.934 1.571 -0.161 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.530 0.725 1.352 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.398 0.683 -0.021 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.755 3.636 -0.789 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.825 2.827 -0.670 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.511 4.308 0.265 1.00 0.00 H new ATOM 596 N ASN A 38 -2.233 2.384 4.696 1.00 0.00 N ATOM 597 CA ASN A 38 -3.242 1.891 5.627 1.00 0.00 C ATOM 598 C ASN A 38 -4.062 3.048 6.185 1.00 0.00 C ATOM 599 O ASN A 38 -5.253 2.906 6.458 1.00 0.00 O ATOM 600 CB ASN A 38 -2.568 1.085 6.749 1.00 0.00 C ATOM 601 CG ASN A 38 -3.538 0.594 7.808 1.00 0.00 C ATOM 602 OD1 ASN A 38 -4.203 -0.427 7.637 1.00 0.00 O ATOM 603 ND2 ASN A 38 -3.592 1.292 8.931 1.00 0.00 N ATOM 0 H ASN A 38 -1.274 2.286 5.029 1.00 0.00 H new ATOM 0 HA ASN A 38 -3.927 1.229 5.098 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -2.055 0.228 6.312 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -1.807 1.704 7.224 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -4.200 0.988 9.692 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -3.026 2.134 9.036 1.00 0.00 H new ATOM 610 N ASP A 39 -3.416 4.198 6.338 1.00 0.00 N ATOM 611 CA ASP A 39 -4.098 5.427 6.739 1.00 0.00 C ATOM 612 C ASP A 39 -5.206 5.765 5.745 1.00 0.00 C ATOM 613 O ASP A 39 -6.324 6.104 6.132 1.00 0.00 O ATOM 614 CB ASP A 39 -3.090 6.578 6.816 1.00 0.00 C ATOM 615 CG ASP A 39 -3.737 7.917 7.102 1.00 0.00 C ATOM 616 OD1 ASP A 39 -3.933 8.244 8.288 1.00 0.00 O ATOM 617 OD2 ASP A 39 -4.026 8.663 6.140 1.00 0.00 O ATOM 0 H ASP A 39 -2.413 4.307 6.189 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.546 5.279 7.722 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.359 6.361 7.595 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.544 6.639 5.874 1.00 0.00 H new ATOM 622 N ARG A 40 -4.890 5.630 4.463 1.00 0.00 N ATOM 623 CA ARG A 40 -5.846 5.910 3.401 1.00 0.00 C ATOM 624 C ARG A 40 -6.986 4.904 3.422 1.00 0.00 C ATOM 625 O ARG A 40 -8.149 5.286 3.376 1.00 0.00 O ATOM 626 CB ARG A 40 -5.157 5.904 2.030 1.00 0.00 C ATOM 627 CG ARG A 40 -4.622 7.263 1.595 1.00 0.00 C ATOM 628 CD ARG A 40 -3.708 7.879 2.645 1.00 0.00 C ATOM 629 NE ARG A 40 -3.020 9.065 2.139 1.00 0.00 N ATOM 630 CZ ARG A 40 -2.451 9.988 2.913 1.00 0.00 C ATOM 631 NH1 ARG A 40 -2.563 9.921 4.237 1.00 0.00 N ATOM 632 NH2 ARG A 40 -1.784 10.993 2.355 1.00 0.00 N ATOM 0 H ARG A 40 -3.974 5.327 4.133 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.258 6.904 3.575 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.332 5.192 2.053 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.865 5.548 1.281 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.076 7.155 0.658 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.457 7.936 1.401 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.294 8.146 3.525 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.972 7.141 2.964 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.972 9.194 1.128 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.088 9.159 4.667 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.124 10.632 4.823 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -1.710 11.054 1.340 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -1.346 11.703 2.942 1.00 0.00 H new ATOM 646 N PHE A 41 -6.648 3.621 3.520 1.00 0.00 N ATOM 647 CA PHE A 41 -7.658 2.563 3.548 1.00 0.00 C ATOM 648 C PHE A 41 -8.610 2.715 4.738 1.00 0.00 C ATOM 649 O PHE A 41 -9.730 2.203 4.717 1.00 0.00 O ATOM 650 CB PHE A 41 -6.999 1.184 3.571 1.00 0.00 C ATOM 651 CG PHE A 41 -6.496 0.775 2.226 1.00 0.00 C ATOM 652 CD1 PHE A 41 -7.333 0.841 1.127 1.00 0.00 C ATOM 653 CD2 PHE A 41 -5.197 0.336 2.052 1.00 0.00 C ATOM 654 CE1 PHE A 41 -6.885 0.485 -0.120 1.00 0.00 C ATOM 655 CE2 PHE A 41 -4.741 -0.028 0.801 1.00 0.00 C ATOM 656 CZ PHE A 41 -5.587 0.045 -0.288 1.00 0.00 C ATOM 0 H PHE A 41 -5.686 3.288 3.581 1.00 0.00 H new ATOM 0 HA PHE A 41 -8.248 2.657 2.636 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -6.171 1.191 4.280 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -7.718 0.446 3.928 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -8.352 1.177 1.252 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.533 0.277 2.902 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -7.548 0.549 -0.970 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.724 -0.369 0.674 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.235 -0.241 -1.268 1.00 0.00 H new ATOM 666 N GLN A 42 -8.159 3.409 5.779 1.00 0.00 N ATOM 667 CA GLN A 42 -9.003 3.660 6.945 1.00 0.00 C ATOM 668 C GLN A 42 -9.978 4.812 6.703 1.00 0.00 C ATOM 669 O GLN A 42 -11.049 4.854 7.303 1.00 0.00 O ATOM 670 CB GLN A 42 -8.158 3.967 8.182 1.00 0.00 C ATOM 671 CG GLN A 42 -7.421 2.763 8.737 1.00 0.00 C ATOM 672 CD GLN A 42 -6.635 3.099 9.984 1.00 0.00 C ATOM 673 OE1 GLN A 42 -7.135 2.985 11.104 1.00 0.00 O ATOM 674 NE2 GLN A 42 -5.396 3.523 9.800 1.00 0.00 N ATOM 0 H GLN A 42 -7.221 3.805 5.840 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.576 2.749 7.117 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.433 4.741 7.931 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -8.804 4.375 8.959 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.137 1.973 8.963 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.744 2.372 7.977 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -5.019 3.603 8.855 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -4.817 3.770 10.603 1.00 0.00 H new ATOM 683 N ARG A 43 -9.615 5.742 5.828 1.00 0.00 N ATOM 684 CA ARG A 43 -10.459 6.910 5.581 1.00 0.00 C ATOM 685 C ARG A 43 -11.225 6.779 4.265 1.00 0.00 C ATOM 686 O ARG A 43 -12.197 7.499 4.029 1.00 0.00 O ATOM 687 CB ARG A 43 -9.632 8.204 5.610 1.00 0.00 C ATOM 688 CG ARG A 43 -8.402 8.183 4.716 1.00 0.00 C ATOM 689 CD ARG A 43 -7.584 9.454 4.870 1.00 0.00 C ATOM 690 NE ARG A 43 -8.329 10.633 4.437 1.00 0.00 N ATOM 691 CZ ARG A 43 -8.273 11.819 5.039 1.00 0.00 C ATOM 692 NH1 ARG A 43 -7.507 11.990 6.113 1.00 0.00 N ATOM 693 NH2 ARG A 43 -8.998 12.831 4.570 1.00 0.00 N ATOM 0 H ARG A 43 -8.754 5.714 5.283 1.00 0.00 H new ATOM 0 HA ARG A 43 -11.193 6.960 6.385 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -10.270 9.035 5.310 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -9.318 8.397 6.636 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -7.785 7.319 4.963 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -8.708 8.069 3.676 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.289 9.573 5.913 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -6.667 9.369 4.287 1.00 0.00 H new ATOM 0 HE ARG A 43 -8.932 10.542 3.619 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -6.960 11.211 6.478 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -7.467 12.900 6.571 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -9.593 12.696 3.753 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -8.959 13.742 5.028 1.00 0.00 H new ATOM 707 N GLN A 44 -10.785 5.864 3.415 1.00 0.00 N ATOM 708 CA GLN A 44 -11.474 5.578 2.166 1.00 0.00 C ATOM 709 C GLN A 44 -11.324 4.104 1.820 1.00 0.00 C ATOM 710 O GLN A 44 -10.287 3.504 2.083 1.00 0.00 O ATOM 711 CB GLN A 44 -10.933 6.452 1.030 1.00 0.00 C ATOM 712 CG GLN A 44 -9.435 6.323 0.816 1.00 0.00 C ATOM 713 CD GLN A 44 -8.933 7.186 -0.321 1.00 0.00 C ATOM 714 OE1 GLN A 44 -8.553 8.343 -0.125 1.00 0.00 O ATOM 715 NE2 GLN A 44 -8.941 6.635 -1.519 1.00 0.00 N ATOM 0 H GLN A 44 -9.947 5.303 3.569 1.00 0.00 H new ATOM 0 HA GLN A 44 -12.532 5.809 2.292 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -11.446 6.188 0.105 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -11.172 7.494 1.241 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -8.916 6.599 1.734 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -9.189 5.281 0.612 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -9.264 5.674 -1.636 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -8.625 7.169 -2.328 1.00 0.00 H new ATOM 724 N LYS A 45 -12.366 3.526 1.238 1.00 0.00 N ATOM 725 CA LYS A 45 -12.376 2.100 0.935 1.00 0.00 C ATOM 726 C LYS A 45 -11.322 1.727 -0.112 1.00 0.00 C ATOM 727 O LYS A 45 -10.575 0.769 0.081 1.00 0.00 O ATOM 728 CB LYS A 45 -13.777 1.659 0.488 1.00 0.00 C ATOM 729 CG LYS A 45 -14.387 2.517 -0.608 1.00 0.00 C ATOM 730 CD LYS A 45 -15.870 2.221 -0.767 1.00 0.00 C ATOM 731 CE LYS A 45 -16.521 3.108 -1.817 1.00 0.00 C ATOM 732 NZ LYS A 45 -16.044 2.792 -3.187 1.00 0.00 N ATOM 0 H LYS A 45 -13.215 4.022 0.966 1.00 0.00 H new ATOM 0 HA LYS A 45 -12.117 1.567 1.849 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.725 0.628 0.139 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.441 1.670 1.353 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.246 3.571 -0.371 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -13.872 2.331 -1.550 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.003 1.175 -1.044 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -16.372 2.364 0.190 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -17.603 2.987 -1.773 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.308 4.153 -1.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -16.562 3.372 -3.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -15.027 2.997 -3.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -16.209 1.785 -3.388 1.00 0.00 H new ATOM 746 N TYR A 46 -11.247 2.490 -1.200 1.00 0.00 N ATOM 747 CA TYR A 46 -10.304 2.200 -2.279 1.00 0.00 C ATOM 748 C TYR A 46 -9.782 3.490 -2.900 1.00 0.00 C ATOM 749 O TYR A 46 -10.306 4.569 -2.629 1.00 0.00 O ATOM 750 CB TYR A 46 -10.959 1.342 -3.368 1.00 0.00 C ATOM 751 CG TYR A 46 -11.336 -0.051 -2.918 1.00 0.00 C ATOM 752 CD1 TYR A 46 -10.383 -0.918 -2.397 1.00 0.00 C ATOM 753 CD2 TYR A 46 -12.649 -0.498 -3.011 1.00 0.00 C ATOM 754 CE1 TYR A 46 -10.726 -2.190 -1.987 1.00 0.00 C ATOM 755 CE2 TYR A 46 -12.998 -1.770 -2.604 1.00 0.00 C ATOM 756 CZ TYR A 46 -12.033 -2.610 -2.092 1.00 0.00 C ATOM 757 OH TYR A 46 -12.378 -3.877 -1.685 1.00 0.00 O ATOM 0 H TYR A 46 -11.827 3.314 -1.358 1.00 0.00 H new ATOM 0 HA TYR A 46 -9.471 1.646 -1.846 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -11.854 1.851 -3.726 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -10.276 1.266 -4.214 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -9.357 -0.591 -2.312 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -13.408 0.160 -3.408 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -9.973 -2.853 -1.586 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -14.021 -2.105 -2.686 1.00 0.00 H new ATOM 0 HH TYR A 46 -13.338 -4.015 -1.825 1.00 0.00 H new ATOM 767 N LEU A 47 -8.757 3.365 -3.736 1.00 0.00 N ATOM 768 CA LEU A 47 -8.164 4.514 -4.413 1.00 0.00 C ATOM 769 C LEU A 47 -8.761 4.679 -5.802 1.00 0.00 C ATOM 770 O LEU A 47 -9.172 3.701 -6.426 1.00 0.00 O ATOM 771 CB LEU A 47 -6.641 4.364 -4.528 1.00 0.00 C ATOM 772 CG LEU A 47 -5.849 4.568 -3.231 1.00 0.00 C ATOM 773 CD1 LEU A 47 -6.050 3.407 -2.267 1.00 0.00 C ATOM 774 CD2 LEU A 47 -4.373 4.755 -3.538 1.00 0.00 C ATOM 0 H LEU A 47 -8.317 2.473 -3.962 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.384 5.399 -3.816 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.421 3.368 -4.912 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -6.280 5.078 -5.268 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.226 5.469 -2.747 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.474 3.585 -1.359 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.107 3.321 -2.016 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.712 2.482 -2.735 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.823 4.899 -2.608 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.993 3.871 -4.051 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.242 5.629 -4.176 1.00 0.00 H new ATOM 786 N SER A 48 -8.809 5.914 -6.279 1.00 0.00 N ATOM 787 CA SER A 48 -9.333 6.205 -7.596 1.00 0.00 C ATOM 788 C SER A 48 -8.216 6.192 -8.630 1.00 0.00 C ATOM 789 O SER A 48 -7.046 5.959 -8.303 1.00 0.00 O ATOM 790 CB SER A 48 -10.032 7.568 -7.588 1.00 0.00 C ATOM 791 OG SER A 48 -9.137 8.597 -7.191 1.00 0.00 O ATOM 0 H SER A 48 -8.487 6.734 -5.765 1.00 0.00 H new ATOM 0 HA SER A 48 -10.057 5.435 -7.863 1.00 0.00 H new ATOM 0 HB2 SER A 48 -10.424 7.785 -8.582 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.884 7.540 -6.908 1.00 0.00 H new ATOM 0 HG SER A 48 -9.606 9.458 -7.195 1.00 0.00 H new ATOM 797 N LEU A 49 -8.583 6.458 -9.872 1.00 0.00 N ATOM 798 CA LEU A 49 -7.629 6.493 -10.973 1.00 0.00 C ATOM 799 C LEU A 49 -6.630 7.625 -10.753 1.00 0.00 C ATOM 800 O LEU A 49 -5.431 7.470 -10.989 1.00 0.00 O ATOM 801 CB LEU A 49 -8.383 6.672 -12.305 1.00 0.00 C ATOM 802 CG LEU A 49 -7.605 6.332 -13.591 1.00 0.00 C ATOM 803 CD1 LEU A 49 -6.565 7.393 -13.926 1.00 0.00 C ATOM 804 CD2 LEU A 49 -6.943 4.966 -13.468 1.00 0.00 C ATOM 0 H LEU A 49 -9.545 6.655 -10.147 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.078 5.553 -11.013 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.279 6.052 -12.275 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.715 7.708 -12.372 1.00 0.00 H new ATOM 0 HG LEU A 49 -8.325 6.308 -14.409 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -6.041 7.113 -14.840 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.059 8.354 -14.071 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.850 7.473 -13.107 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.398 4.742 -14.385 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.250 4.972 -12.626 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.706 4.205 -13.305 1.00 0.00 H new ATOM 816 N GLN A 50 -7.121 8.751 -10.257 1.00 0.00 N ATOM 817 CA GLN A 50 -6.267 9.911 -10.041 1.00 0.00 C ATOM 818 C GLN A 50 -5.387 9.712 -8.806 1.00 0.00 C ATOM 819 O GLN A 50 -4.288 10.254 -8.717 1.00 0.00 O ATOM 820 CB GLN A 50 -7.109 11.180 -9.898 1.00 0.00 C ATOM 821 CG GLN A 50 -6.296 12.459 -10.032 1.00 0.00 C ATOM 822 CD GLN A 50 -7.131 13.714 -9.874 1.00 0.00 C ATOM 823 OE1 GLN A 50 -8.109 13.737 -9.128 1.00 0.00 O ATOM 824 NE2 GLN A 50 -6.756 14.765 -10.585 1.00 0.00 N ATOM 0 H GLN A 50 -8.098 8.887 -9.998 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.619 10.023 -10.910 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -7.893 11.175 -10.655 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -7.604 11.172 -8.927 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.505 12.460 -9.282 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.811 12.473 -11.008 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.939 14.705 -11.192 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.284 15.635 -10.526 1.00 0.00 H new ATOM 833 N GLN A 51 -5.872 8.926 -7.855 1.00 0.00 N ATOM 834 CA GLN A 51 -5.131 8.677 -6.629 1.00 0.00 C ATOM 835 C GLN A 51 -3.982 7.697 -6.846 1.00 0.00 C ATOM 836 O GLN A 51 -2.899 7.888 -6.306 1.00 0.00 O ATOM 837 CB GLN A 51 -6.062 8.170 -5.538 1.00 0.00 C ATOM 838 CG GLN A 51 -6.914 9.267 -4.923 1.00 0.00 C ATOM 839 CD GLN A 51 -7.854 8.741 -3.867 1.00 0.00 C ATOM 840 OE1 GLN A 51 -8.318 7.609 -3.949 1.00 0.00 O ATOM 841 NE2 GLN A 51 -8.139 9.557 -2.863 1.00 0.00 N ATOM 0 H GLN A 51 -6.773 8.451 -7.910 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.697 9.625 -6.313 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -6.714 7.402 -5.954 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.470 7.696 -4.755 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -6.265 10.024 -4.483 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -7.491 9.758 -5.707 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -7.731 10.491 -2.834 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -8.766 9.251 -2.119 1.00 0.00 H new ATOM 850 N MET A 52 -4.209 6.652 -7.634 1.00 0.00 N ATOM 851 CA MET A 52 -3.157 5.667 -7.891 1.00 0.00 C ATOM 852 C MET A 52 -1.964 6.298 -8.614 1.00 0.00 C ATOM 853 O MET A 52 -0.817 5.932 -8.357 1.00 0.00 O ATOM 854 CB MET A 52 -3.693 4.462 -8.670 1.00 0.00 C ATOM 855 CG MET A 52 -4.269 4.791 -10.034 1.00 0.00 C ATOM 856 SD MET A 52 -4.925 3.333 -10.868 1.00 0.00 S ATOM 857 CE MET A 52 -6.184 2.807 -9.705 1.00 0.00 C ATOM 0 H MET A 52 -5.096 6.464 -8.101 1.00 0.00 H new ATOM 0 HA MET A 52 -2.809 5.308 -6.922 1.00 0.00 H new ATOM 0 HB2 MET A 52 -2.886 3.741 -8.797 1.00 0.00 H new ATOM 0 HB3 MET A 52 -4.464 3.975 -8.073 1.00 0.00 H new ATOM 0 HG2 MET A 52 -5.062 5.531 -9.923 1.00 0.00 H new ATOM 0 HG3 MET A 52 -3.495 5.244 -10.653 1.00 0.00 H new ATOM 0 HE1 MET A 52 -6.901 2.161 -10.212 1.00 0.00 H new ATOM 0 HE2 MET A 52 -5.717 2.259 -8.887 1.00 0.00 H new ATOM 0 HE3 MET A 52 -6.701 3.681 -9.308 1.00 0.00 H new ATOM 867 N GLN A 53 -2.225 7.252 -9.508 1.00 0.00 N ATOM 868 CA GLN A 53 -1.138 7.968 -10.173 1.00 0.00 C ATOM 869 C GLN A 53 -0.489 8.958 -9.202 1.00 0.00 C ATOM 870 O GLN A 53 0.721 9.195 -9.252 1.00 0.00 O ATOM 871 CB GLN A 53 -1.626 8.701 -11.433 1.00 0.00 C ATOM 872 CG GLN A 53 -2.634 9.804 -11.158 1.00 0.00 C ATOM 873 CD GLN A 53 -2.932 10.658 -12.377 1.00 0.00 C ATOM 874 OE1 GLN A 53 -3.231 11.847 -12.256 1.00 0.00 O ATOM 875 NE2 GLN A 53 -2.858 10.062 -13.555 1.00 0.00 N ATOM 0 H GLN A 53 -3.163 7.543 -9.785 1.00 0.00 H new ATOM 0 HA GLN A 53 -0.398 7.232 -10.486 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.766 9.130 -11.947 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -2.074 7.975 -12.112 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.562 9.358 -10.799 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.256 10.442 -10.359 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -2.607 9.075 -13.612 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -3.052 10.589 -14.406 1.00 0.00 H new ATOM 884 N GLU A 54 -1.304 9.516 -8.309 1.00 0.00 N ATOM 885 CA GLU A 54 -0.827 10.465 -7.310 1.00 0.00 C ATOM 886 C GLU A 54 0.123 9.779 -6.338 1.00 0.00 C ATOM 887 O GLU A 54 1.257 10.210 -6.161 1.00 0.00 O ATOM 888 CB GLU A 54 -2.014 11.074 -6.551 1.00 0.00 C ATOM 889 CG GLU A 54 -1.617 12.007 -5.416 1.00 0.00 C ATOM 890 CD GLU A 54 -2.820 12.581 -4.695 1.00 0.00 C ATOM 891 OE1 GLU A 54 -3.509 11.831 -3.973 1.00 0.00 O ATOM 892 OE2 GLU A 54 -3.093 13.791 -4.846 1.00 0.00 O ATOM 0 H GLU A 54 -2.305 9.324 -8.259 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.287 11.264 -7.818 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.638 11.623 -7.256 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.624 10.267 -6.146 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.994 11.465 -4.704 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.012 12.822 -5.813 1.00 0.00 H new ATOM 899 N LEU A 55 -0.338 8.681 -5.743 1.00 0.00 N ATOM 900 CA LEU A 55 0.445 7.933 -4.781 1.00 0.00 C ATOM 901 C LEU A 55 1.740 7.428 -5.402 1.00 0.00 C ATOM 902 O LEU A 55 2.779 7.369 -4.741 1.00 0.00 O ATOM 903 CB LEU A 55 -0.388 6.767 -4.245 1.00 0.00 C ATOM 904 CG LEU A 55 -1.147 7.034 -2.938 1.00 0.00 C ATOM 905 CD1 LEU A 55 -0.183 7.396 -1.821 1.00 0.00 C ATOM 906 CD2 LEU A 55 -2.181 8.133 -3.128 1.00 0.00 C ATOM 0 H LEU A 55 -1.264 8.291 -5.918 1.00 0.00 H new ATOM 0 HA LEU A 55 0.713 8.593 -3.956 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.109 6.479 -5.010 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.272 5.913 -4.092 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.669 6.119 -2.658 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.742 7.581 -0.904 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.514 6.573 -1.661 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.371 8.293 -2.095 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.706 8.305 -2.188 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.683 9.052 -3.438 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.896 7.832 -3.894 1.00 0.00 H new ATOM 918 N SER A 56 1.670 7.070 -6.676 1.00 0.00 N ATOM 919 CA SER A 56 2.846 6.673 -7.432 1.00 0.00 C ATOM 920 C SER A 56 3.904 7.769 -7.409 1.00 0.00 C ATOM 921 O SER A 56 5.089 7.489 -7.218 1.00 0.00 O ATOM 922 CB SER A 56 2.443 6.337 -8.873 1.00 0.00 C ATOM 923 OG SER A 56 3.565 5.997 -9.664 1.00 0.00 O ATOM 0 H SER A 56 0.802 7.047 -7.211 1.00 0.00 H new ATOM 0 HA SER A 56 3.279 5.786 -6.969 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.736 5.508 -8.869 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.931 7.191 -9.316 1.00 0.00 H new ATOM 0 HG SER A 56 4.328 5.800 -9.082 1.00 0.00 H new ATOM 929 N ASN A 57 3.476 9.012 -7.580 1.00 0.00 N ATOM 930 CA ASN A 57 4.399 10.143 -7.550 1.00 0.00 C ATOM 931 C ASN A 57 4.924 10.381 -6.137 1.00 0.00 C ATOM 932 O ASN A 57 6.096 10.703 -5.949 1.00 0.00 O ATOM 933 CB ASN A 57 3.721 11.413 -8.081 1.00 0.00 C ATOM 934 CG ASN A 57 4.570 12.661 -7.886 1.00 0.00 C ATOM 935 OD1 ASN A 57 4.441 13.366 -6.885 1.00 0.00 O ATOM 936 ND2 ASN A 57 5.445 12.938 -8.840 1.00 0.00 N ATOM 0 H ASN A 57 2.501 9.264 -7.740 1.00 0.00 H new ATOM 0 HA ASN A 57 5.243 9.901 -8.196 1.00 0.00 H new ATOM 0 HB2 ASN A 57 3.506 11.288 -9.142 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.765 11.547 -7.576 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.043 13.761 -8.761 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.522 12.329 -9.654 1.00 0.00 H new ATOM 943 N ILE A 58 4.058 10.191 -5.146 1.00 0.00 N ATOM 944 CA ILE A 58 4.398 10.481 -3.762 1.00 0.00 C ATOM 945 C ILE A 58 5.478 9.542 -3.246 1.00 0.00 C ATOM 946 O ILE A 58 6.393 9.964 -2.540 1.00 0.00 O ATOM 947 CB ILE A 58 3.149 10.364 -2.876 1.00 0.00 C ATOM 948 CG1 ILE A 58 2.036 11.226 -3.469 1.00 0.00 C ATOM 949 CG2 ILE A 58 3.456 10.777 -1.441 1.00 0.00 C ATOM 950 CD1 ILE A 58 2.238 12.717 -3.290 1.00 0.00 C ATOM 0 H ILE A 58 3.111 9.835 -5.280 1.00 0.00 H new ATOM 0 HA ILE A 58 4.783 11.500 -3.721 1.00 0.00 H new ATOM 0 HB ILE A 58 2.823 9.324 -2.849 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.952 11.008 -4.534 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.089 10.942 -3.010 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.555 10.685 -0.835 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.234 10.131 -1.035 1.00 0.00 H new ATOM 0 HG23 ILE A 58 3.799 11.811 -1.426 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.403 13.254 -3.740 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.290 12.952 -2.227 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.167 13.019 -3.774 1.00 0.00 H new ATOM 962 N LEU A 59 5.379 8.271 -3.610 1.00 0.00 N ATOM 963 CA LEU A 59 6.350 7.290 -3.151 1.00 0.00 C ATOM 964 C LEU A 59 7.478 7.138 -4.160 1.00 0.00 C ATOM 965 O LEU A 59 8.393 6.333 -3.967 1.00 0.00 O ATOM 966 CB LEU A 59 5.688 5.929 -2.893 1.00 0.00 C ATOM 967 CG LEU A 59 4.874 5.811 -1.595 1.00 0.00 C ATOM 968 CD1 LEU A 59 5.701 6.254 -0.401 1.00 0.00 C ATOM 969 CD2 LEU A 59 3.584 6.613 -1.675 1.00 0.00 C ATOM 0 H LEU A 59 4.646 7.899 -4.214 1.00 0.00 H new ATOM 0 HA LEU A 59 6.764 7.652 -2.210 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.031 5.702 -3.732 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.466 5.165 -2.881 1.00 0.00 H new ATOM 0 HG LEU A 59 4.609 4.762 -1.465 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.106 6.163 0.508 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.588 5.625 -0.319 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.004 7.293 -0.533 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.032 6.508 -0.741 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.819 7.664 -1.842 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.976 6.242 -2.500 1.00 0.00 H new ATOM 981 N ASN A 60 7.404 7.927 -5.232 1.00 0.00 N ATOM 982 CA ASN A 60 8.373 7.867 -6.327 1.00 0.00 C ATOM 983 C ASN A 60 8.478 6.431 -6.849 1.00 0.00 C ATOM 984 O ASN A 60 9.557 5.931 -7.177 1.00 0.00 O ATOM 985 CB ASN A 60 9.741 8.392 -5.866 1.00 0.00 C ATOM 986 CG ASN A 60 10.647 8.794 -7.021 1.00 0.00 C ATOM 987 OD1 ASN A 60 10.563 8.253 -8.125 1.00 0.00 O ATOM 988 ND2 ASN A 60 11.519 9.756 -6.781 1.00 0.00 N ATOM 0 H ASN A 60 6.672 8.625 -5.366 1.00 0.00 H new ATOM 0 HA ASN A 60 8.031 8.506 -7.141 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.592 9.252 -5.213 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.237 7.624 -5.273 1.00 0.00 H new ATOM 0 HD21 ASN A 60 12.147 10.071 -7.520 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.564 10.184 -5.856 1.00 0.00 H new ATOM 995 N LEU A 61 7.334 5.776 -6.923 1.00 0.00 N ATOM 996 CA LEU A 61 7.249 4.421 -7.435 1.00 0.00 C ATOM 997 C LEU A 61 6.578 4.448 -8.789 1.00 0.00 C ATOM 998 O LEU A 61 6.165 5.505 -9.262 1.00 0.00 O ATOM 999 CB LEU A 61 6.456 3.526 -6.477 1.00 0.00 C ATOM 1000 CG LEU A 61 7.071 3.340 -5.088 1.00 0.00 C ATOM 1001 CD1 LEU A 61 6.170 2.475 -4.222 1.00 0.00 C ATOM 1002 CD2 LEU A 61 8.455 2.722 -5.189 1.00 0.00 C ATOM 0 H LEU A 61 6.439 6.168 -6.630 1.00 0.00 H new ATOM 0 HA LEU A 61 8.255 4.011 -7.527 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.457 3.945 -6.360 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.338 2.545 -6.937 1.00 0.00 H new ATOM 0 HG LEU A 61 7.167 4.321 -4.624 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.621 2.352 -3.237 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.196 2.954 -4.118 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.046 1.498 -4.689 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.872 2.599 -4.190 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.384 1.749 -5.675 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.103 3.374 -5.775 1.00 0.00 H new ATOM 1014 N SER A 62 6.474 3.297 -9.412 1.00 0.00 N ATOM 1015 CA SER A 62 5.846 3.201 -10.710 1.00 0.00 C ATOM 1016 C SER A 62 4.342 3.005 -10.557 1.00 0.00 C ATOM 1017 O SER A 62 3.879 2.398 -9.588 1.00 0.00 O ATOM 1018 CB SER A 62 6.468 2.046 -11.498 1.00 0.00 C ATOM 1019 OG SER A 62 5.785 1.815 -12.722 1.00 0.00 O ATOM 0 H SER A 62 6.817 2.411 -9.040 1.00 0.00 H new ATOM 0 HA SER A 62 6.011 4.128 -11.259 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.515 2.268 -11.702 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.446 1.140 -10.893 1.00 0.00 H new ATOM 0 HG SER A 62 6.211 1.072 -13.199 1.00 0.00 H new ATOM 1025 N TYR A 63 3.587 3.532 -11.512 1.00 0.00 N ATOM 1026 CA TYR A 63 2.146 3.337 -11.567 1.00 0.00 C ATOM 1027 C TYR A 63 1.835 1.851 -11.660 1.00 0.00 C ATOM 1028 O TYR A 63 0.842 1.378 -11.118 1.00 0.00 O ATOM 1029 CB TYR A 63 1.560 4.091 -12.772 1.00 0.00 C ATOM 1030 CG TYR A 63 0.165 3.650 -13.162 1.00 0.00 C ATOM 1031 CD1 TYR A 63 -0.951 4.076 -12.453 1.00 0.00 C ATOM 1032 CD2 TYR A 63 -0.030 2.792 -14.239 1.00 0.00 C ATOM 1033 CE1 TYR A 63 -2.220 3.659 -12.807 1.00 0.00 C ATOM 1034 CE2 TYR A 63 -1.295 2.370 -14.595 1.00 0.00 C ATOM 1035 CZ TYR A 63 -2.385 2.807 -13.877 1.00 0.00 C ATOM 1036 OH TYR A 63 -3.646 2.381 -14.225 1.00 0.00 O ATOM 0 H TYR A 63 3.957 4.106 -12.269 1.00 0.00 H new ATOM 0 HA TYR A 63 1.691 3.733 -10.659 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.542 5.157 -12.545 1.00 0.00 H new ATOM 0 HB3 TYR A 63 2.223 3.958 -13.627 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -0.825 4.743 -11.613 1.00 0.00 H new ATOM 0 HD2 TYR A 63 0.823 2.450 -14.806 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -3.079 3.999 -12.247 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -1.429 1.701 -15.432 1.00 0.00 H new ATOM 0 HH TYR A 63 -3.588 1.786 -15.001 1.00 0.00 H new ATOM 1046 N LYS A 64 2.719 1.118 -12.326 1.00 0.00 N ATOM 1047 CA LYS A 64 2.573 -0.318 -12.460 1.00 0.00 C ATOM 1048 C LYS A 64 2.656 -0.967 -11.090 1.00 0.00 C ATOM 1049 O LYS A 64 1.960 -1.935 -10.803 1.00 0.00 O ATOM 1050 CB LYS A 64 3.655 -0.896 -13.378 1.00 0.00 C ATOM 1051 CG LYS A 64 3.394 -0.711 -14.869 1.00 0.00 C ATOM 1052 CD LYS A 64 3.657 0.711 -15.325 1.00 0.00 C ATOM 1053 CE LYS A 64 3.428 0.857 -16.823 1.00 0.00 C ATOM 1054 NZ LYS A 64 3.817 2.201 -17.318 1.00 0.00 N ATOM 0 H LYS A 64 3.547 1.501 -12.782 1.00 0.00 H new ATOM 0 HA LYS A 64 1.601 -0.528 -12.906 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.609 -0.431 -13.130 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.757 -1.961 -13.171 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.027 -1.395 -15.434 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.360 -0.976 -15.091 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.003 1.396 -14.785 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.682 0.991 -15.082 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.001 0.096 -17.353 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.376 0.679 -17.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.645 2.257 -18.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.253 2.927 -16.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.827 2.362 -17.127 1.00 0.00 H new ATOM 1068 N GLN A 65 3.498 -0.406 -10.239 1.00 0.00 N ATOM 1069 CA GLN A 65 3.668 -0.913 -8.890 1.00 0.00 C ATOM 1070 C GLN A 65 2.450 -0.587 -8.038 1.00 0.00 C ATOM 1071 O GLN A 65 1.947 -1.441 -7.309 1.00 0.00 O ATOM 1072 CB GLN A 65 4.927 -0.321 -8.255 1.00 0.00 C ATOM 1073 CG GLN A 65 6.216 -0.731 -8.952 1.00 0.00 C ATOM 1074 CD GLN A 65 7.448 -0.142 -8.294 1.00 0.00 C ATOM 1075 OE1 GLN A 65 7.890 0.951 -8.646 1.00 0.00 O ATOM 1076 NE2 GLN A 65 8.004 -0.860 -7.332 1.00 0.00 N ATOM 0 H GLN A 65 4.076 0.404 -10.461 1.00 0.00 H new ATOM 0 HA GLN A 65 3.775 -1.996 -8.942 1.00 0.00 H new ATOM 0 HB2 GLN A 65 4.850 0.766 -8.263 1.00 0.00 H new ATOM 0 HB3 GLN A 65 4.975 -0.629 -7.211 1.00 0.00 H new ATOM 0 HG2 GLN A 65 6.294 -1.818 -8.953 1.00 0.00 H new ATOM 0 HG3 GLN A 65 6.178 -0.413 -9.994 1.00 0.00 H new ATOM 0 HE21 GLN A 65 7.604 -1.762 -7.072 1.00 0.00 H new ATOM 0 HE22 GLN A 65 8.833 -0.512 -6.850 1.00 0.00 H new ATOM 1085 N VAL A 66 1.956 0.641 -8.154 1.00 0.00 N ATOM 1086 CA VAL A 66 0.844 1.082 -7.316 1.00 0.00 C ATOM 1087 C VAL A 66 -0.472 0.439 -7.758 1.00 0.00 C ATOM 1088 O VAL A 66 -1.297 0.055 -6.926 1.00 0.00 O ATOM 1089 CB VAL A 66 0.712 2.627 -7.298 1.00 0.00 C ATOM 1090 CG1 VAL A 66 -0.451 3.066 -6.419 1.00 0.00 C ATOM 1091 CG2 VAL A 66 2.006 3.263 -6.815 1.00 0.00 C ATOM 0 H VAL A 66 2.301 1.341 -8.810 1.00 0.00 H new ATOM 0 HA VAL A 66 1.064 0.755 -6.300 1.00 0.00 H new ATOM 0 HB VAL A 66 0.513 2.961 -8.316 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.521 4.154 -6.424 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.378 2.641 -6.803 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.288 2.718 -5.399 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.898 4.348 -6.808 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.229 2.914 -5.807 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.820 2.984 -7.484 1.00 0.00 H new ATOM 1101 N LYS A 67 -0.652 0.291 -9.066 1.00 0.00 N ATOM 1102 CA LYS A 67 -1.872 -0.297 -9.605 1.00 0.00 C ATOM 1103 C LYS A 67 -1.929 -1.791 -9.295 1.00 0.00 C ATOM 1104 O LYS A 67 -2.959 -2.302 -8.856 1.00 0.00 O ATOM 1105 CB LYS A 67 -1.952 -0.046 -11.120 1.00 0.00 C ATOM 1106 CG LYS A 67 -3.314 -0.341 -11.749 1.00 0.00 C ATOM 1107 CD LYS A 67 -3.537 -1.829 -11.988 1.00 0.00 C ATOM 1108 CE LYS A 67 -4.831 -2.083 -12.744 1.00 0.00 C ATOM 1109 NZ LYS A 67 -5.034 -3.528 -13.027 1.00 0.00 N ATOM 0 H LYS A 67 0.030 0.570 -9.771 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.732 0.177 -9.131 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.695 0.995 -11.315 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.199 -0.658 -11.616 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.101 0.041 -11.099 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.396 0.192 -12.696 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.699 -2.238 -12.552 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.564 -2.352 -11.032 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.672 -1.706 -12.162 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.818 -1.528 -13.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.358 -3.647 -14.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -4.137 -4.037 -12.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.749 -3.912 -12.377 1.00 0.00 H new ATOM 1123 N THR A 68 -0.817 -2.479 -9.512 1.00 0.00 N ATOM 1124 CA THR A 68 -0.760 -3.924 -9.316 1.00 0.00 C ATOM 1125 C THR A 68 -0.922 -4.289 -7.841 1.00 0.00 C ATOM 1126 O THR A 68 -1.560 -5.289 -7.512 1.00 0.00 O ATOM 1127 CB THR A 68 0.556 -4.515 -9.859 1.00 0.00 C ATOM 1128 OG1 THR A 68 0.714 -4.157 -11.237 1.00 0.00 O ATOM 1129 CG2 THR A 68 0.577 -6.030 -9.724 1.00 0.00 C ATOM 0 H THR A 68 0.060 -2.061 -9.824 1.00 0.00 H new ATOM 0 HA THR A 68 -1.590 -4.355 -9.876 1.00 0.00 H new ATOM 0 HB THR A 68 1.378 -4.106 -9.272 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.899 -3.197 -11.306 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.518 -6.417 -10.116 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.482 -6.303 -8.673 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.253 -6.457 -10.287 1.00 0.00 H new ATOM 1137 N TRP A 69 -0.364 -3.471 -6.955 1.00 0.00 N ATOM 1138 CA TRP A 69 -0.510 -3.703 -5.523 1.00 0.00 C ATOM 1139 C TRP A 69 -1.986 -3.667 -5.145 1.00 0.00 C ATOM 1140 O TRP A 69 -2.503 -4.598 -4.530 1.00 0.00 O ATOM 1141 CB TRP A 69 0.272 -2.664 -4.718 1.00 0.00 C ATOM 1142 CG TRP A 69 0.268 -2.937 -3.243 1.00 0.00 C ATOM 1143 CD1 TRP A 69 0.927 -3.943 -2.599 1.00 0.00 C ATOM 1144 CD2 TRP A 69 -0.422 -2.196 -2.231 1.00 0.00 C ATOM 1145 NE1 TRP A 69 0.686 -3.876 -1.248 1.00 0.00 N ATOM 1146 CE2 TRP A 69 -0.138 -2.810 -0.996 1.00 0.00 C ATOM 1147 CE3 TRP A 69 -1.253 -1.071 -2.248 1.00 0.00 C ATOM 1148 CZ2 TRP A 69 -0.657 -2.342 0.208 1.00 0.00 C ATOM 1149 CZ3 TRP A 69 -1.766 -0.607 -1.052 1.00 0.00 C ATOM 1150 CH2 TRP A 69 -1.465 -1.241 0.162 1.00 0.00 C ATOM 0 H TRP A 69 0.188 -2.649 -7.200 1.00 0.00 H new ATOM 0 HA TRP A 69 -0.103 -4.686 -5.286 1.00 0.00 H new ATOM 0 HB2 TRP A 69 1.302 -2.638 -5.074 1.00 0.00 H new ATOM 0 HB3 TRP A 69 -0.153 -1.677 -4.900 1.00 0.00 H new ATOM 0 HD1 TRP A 69 1.548 -4.684 -3.081 1.00 0.00 H new ATOM 0 HE1 TRP A 69 1.060 -4.516 -0.547 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -1.489 -0.575 -3.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 -0.429 -2.831 1.144 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -2.410 0.260 -1.052 1.00 0.00 H new ATOM 0 HH2 TRP A 69 -1.880 -0.851 1.080 1.00 0.00 H new ATOM 1161 N PHE A 70 -2.658 -2.593 -5.547 1.00 0.00 N ATOM 1162 CA PHE A 70 -4.093 -2.452 -5.334 1.00 0.00 C ATOM 1163 C PHE A 70 -4.854 -3.633 -5.941 1.00 0.00 C ATOM 1164 O PHE A 70 -5.764 -4.189 -5.321 1.00 0.00 O ATOM 1165 CB PHE A 70 -4.578 -1.135 -5.954 1.00 0.00 C ATOM 1166 CG PHE A 70 -6.071 -1.038 -6.104 1.00 0.00 C ATOM 1167 CD1 PHE A 70 -6.877 -0.725 -5.020 1.00 0.00 C ATOM 1168 CD2 PHE A 70 -6.667 -1.258 -7.337 1.00 0.00 C ATOM 1169 CE1 PHE A 70 -8.249 -0.636 -5.164 1.00 0.00 C ATOM 1170 CE2 PHE A 70 -8.037 -1.173 -7.486 1.00 0.00 C ATOM 1171 CZ PHE A 70 -8.829 -0.859 -6.399 1.00 0.00 C ATOM 0 H PHE A 70 -2.227 -1.802 -6.026 1.00 0.00 H new ATOM 0 HA PHE A 70 -4.287 -2.441 -4.261 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -4.231 -0.306 -5.337 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -4.117 -1.016 -6.935 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -6.428 -0.549 -4.053 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.052 -1.499 -8.191 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -8.867 -0.393 -4.313 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -8.488 -1.352 -8.451 1.00 0.00 H new ATOM 0 HZ PHE A 70 -9.901 -0.788 -6.514 1.00 0.00 H new ATOM 1181 N GLN A 71 -4.465 -4.004 -7.156 1.00 0.00 N ATOM 1182 CA GLN A 71 -5.110 -5.085 -7.888 1.00 0.00 C ATOM 1183 C GLN A 71 -5.059 -6.399 -7.106 1.00 0.00 C ATOM 1184 O GLN A 71 -6.071 -7.088 -6.954 1.00 0.00 O ATOM 1185 CB GLN A 71 -4.429 -5.268 -9.248 1.00 0.00 C ATOM 1186 CG GLN A 71 -5.133 -6.258 -10.153 1.00 0.00 C ATOM 1187 CD GLN A 71 -6.533 -5.803 -10.503 1.00 0.00 C ATOM 1188 OE1 GLN A 71 -6.741 -5.118 -11.502 1.00 0.00 O ATOM 1189 NE2 GLN A 71 -7.496 -6.164 -9.673 1.00 0.00 N ATOM 0 H GLN A 71 -3.695 -3.564 -7.659 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.157 -4.817 -8.031 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -4.377 -4.303 -9.751 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -3.403 -5.600 -9.089 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -4.554 -6.390 -11.067 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -5.179 -7.230 -9.662 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.278 -6.733 -8.855 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -8.458 -5.873 -9.850 1.00 0.00 H new ATOM 1198 N ASN A 72 -3.878 -6.728 -6.611 1.00 0.00 N ATOM 1199 CA ASN A 72 -3.644 -7.988 -5.925 1.00 0.00 C ATOM 1200 C ASN A 72 -4.258 -7.976 -4.538 1.00 0.00 C ATOM 1201 O ASN A 72 -4.777 -8.993 -4.080 1.00 0.00 O ATOM 1202 CB ASN A 72 -2.145 -8.294 -5.832 1.00 0.00 C ATOM 1203 CG ASN A 72 -1.547 -8.706 -7.166 1.00 0.00 C ATOM 1204 OD1 ASN A 72 -1.991 -8.271 -8.228 1.00 0.00 O ATOM 1205 ND2 ASN A 72 -0.533 -9.555 -7.125 1.00 0.00 N ATOM 0 H ASN A 72 -3.054 -6.130 -6.673 1.00 0.00 H new ATOM 0 HA ASN A 72 -4.123 -8.773 -6.510 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.621 -7.414 -5.460 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.985 -9.091 -5.105 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -0.095 -9.868 -7.991 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -0.189 -9.896 -6.227 1.00 0.00 H new ATOM 1212 N GLN A 73 -4.211 -6.828 -3.872 1.00 0.00 N ATOM 1213 CA GLN A 73 -4.809 -6.698 -2.551 1.00 0.00 C ATOM 1214 C GLN A 73 -6.309 -6.963 -2.620 1.00 0.00 C ATOM 1215 O GLN A 73 -6.865 -7.640 -1.754 1.00 0.00 O ATOM 1216 CB GLN A 73 -4.536 -5.316 -1.952 1.00 0.00 C ATOM 1217 CG GLN A 73 -3.077 -5.088 -1.585 1.00 0.00 C ATOM 1218 CD GLN A 73 -2.561 -6.083 -0.563 1.00 0.00 C ATOM 1219 OE1 GLN A 73 -2.054 -7.150 -0.912 1.00 0.00 O ATOM 1220 NE2 GLN A 73 -2.684 -5.743 0.710 1.00 0.00 N ATOM 0 H GLN A 73 -3.768 -5.979 -4.223 1.00 0.00 H new ATOM 0 HA GLN A 73 -4.350 -7.441 -1.899 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -4.846 -4.552 -2.665 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -5.150 -5.188 -1.061 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -2.467 -5.152 -2.486 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -2.960 -4.078 -1.192 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -3.109 -4.850 0.961 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -2.353 -6.373 1.440 1.00 0.00 H new ATOM 1229 N ARG A 74 -6.959 -6.455 -3.664 1.00 0.00 N ATOM 1230 CA ARG A 74 -8.377 -6.720 -3.856 1.00 0.00 C ATOM 1231 C ARG A 74 -8.599 -8.191 -4.186 1.00 0.00 C ATOM 1232 O ARG A 74 -9.553 -8.804 -3.703 1.00 0.00 O ATOM 1233 CB ARG A 74 -8.980 -5.855 -4.968 1.00 0.00 C ATOM 1234 CG ARG A 74 -10.489 -6.026 -5.074 1.00 0.00 C ATOM 1235 CD ARG A 74 -11.076 -5.339 -6.295 1.00 0.00 C ATOM 1236 NE ARG A 74 -12.538 -5.445 -6.312 1.00 0.00 N ATOM 1237 CZ ARG A 74 -13.267 -5.700 -7.402 1.00 0.00 C ATOM 1238 NH1 ARG A 74 -12.680 -5.891 -8.575 1.00 0.00 N ATOM 1239 NH2 ARG A 74 -14.588 -5.776 -7.312 1.00 0.00 N ATOM 0 H ARG A 74 -6.532 -5.866 -4.379 1.00 0.00 H new ATOM 0 HA ARG A 74 -8.879 -6.468 -2.922 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.747 -4.807 -4.778 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.518 -6.116 -5.920 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.728 -7.089 -5.111 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -10.959 -5.625 -4.176 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -10.785 -4.289 -6.299 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -10.666 -5.787 -7.200 1.00 0.00 H new ATOM 0 HE ARG A 74 -13.033 -5.315 -5.430 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -11.664 -5.844 -8.650 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -13.244 -6.085 -9.402 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -15.046 -5.640 -6.411 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -15.145 -5.971 -8.144 1.00 0.00 H new ATOM 1253 N MET A 75 -7.712 -8.768 -4.998 1.00 0.00 N ATOM 1254 CA MET A 75 -7.864 -10.168 -5.389 1.00 0.00 C ATOM 1255 C MET A 75 -7.674 -11.094 -4.190 1.00 0.00 C ATOM 1256 O MET A 75 -8.342 -12.120 -4.077 1.00 0.00 O ATOM 1257 CB MET A 75 -6.901 -10.541 -6.521 1.00 0.00 C ATOM 1258 CG MET A 75 -7.265 -9.901 -7.851 1.00 0.00 C ATOM 1259 SD MET A 75 -6.329 -10.569 -9.243 1.00 0.00 S ATOM 1260 CE MET A 75 -4.655 -10.151 -8.768 1.00 0.00 C ATOM 0 H MET A 75 -6.896 -8.298 -5.391 1.00 0.00 H new ATOM 0 HA MET A 75 -8.880 -10.296 -5.761 1.00 0.00 H new ATOM 0 HB2 MET A 75 -5.891 -10.239 -6.244 1.00 0.00 H new ATOM 0 HB3 MET A 75 -6.890 -11.625 -6.637 1.00 0.00 H new ATOM 0 HG2 MET A 75 -8.330 -10.044 -8.036 1.00 0.00 H new ATOM 0 HG3 MET A 75 -7.093 -8.826 -7.789 1.00 0.00 H new ATOM 0 HE1 MET A 75 -3.967 -10.453 -9.557 1.00 0.00 H new ATOM 0 HE2 MET A 75 -4.579 -9.075 -8.612 1.00 0.00 H new ATOM 0 HE3 MET A 75 -4.398 -10.670 -7.844 1.00 0.00 H new ATOM 1270 N LYS A 76 -6.780 -10.717 -3.285 1.00 0.00 N ATOM 1271 CA LYS A 76 -6.584 -11.461 -2.045 1.00 0.00 C ATOM 1272 C LYS A 76 -7.818 -11.356 -1.153 1.00 0.00 C ATOM 1273 O LYS A 76 -8.177 -12.305 -0.459 1.00 0.00 O ATOM 1274 CB LYS A 76 -5.362 -10.934 -1.287 1.00 0.00 C ATOM 1275 CG LYS A 76 -4.026 -11.325 -1.901 1.00 0.00 C ATOM 1276 CD LYS A 76 -3.713 -12.799 -1.681 1.00 0.00 C ATOM 1277 CE LYS A 76 -2.311 -13.144 -2.161 1.00 0.00 C ATOM 1278 NZ LYS A 76 -1.932 -14.544 -1.831 1.00 0.00 N ATOM 0 H LYS A 76 -6.178 -9.900 -3.385 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.420 -12.507 -2.305 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.421 -9.847 -1.238 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.399 -11.302 -0.262 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -4.041 -11.112 -2.970 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.234 -10.716 -1.466 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.806 -13.039 -0.622 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -4.442 -13.411 -2.212 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.252 -12.998 -3.240 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.595 -12.459 -1.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.970 -14.734 -2.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.962 -14.678 -0.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.599 -15.200 -2.285 1.00 0.00 H new