USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 411 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Set 1.2: A 75 MET CE :methyl 166:sc= 0 (180deg=-0.176) USER MOD Set 2.1: A 73 GLN : amide:sc= 0.93 K(o=2.2,f=-4.9) USER MOD Set 2.2: A 76 LYS NZ :NH3+ 174:sc= 1.26 (180deg=0) USER MOD Set 3.1: A 63 TYR OH : rot 150:sc= 0.989 USER MOD Set 3.2: A 67 LYS NZ :NH3+ -173:sc= 2.55 (180deg=1.09) USER MOD Set 4.1: A 30 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -2.37! C(o=-2.4!,f=-6.8!) USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 42 GLN : amide:sc= -0.188 X(o=-0.19,f=-0.42) USER MOD Single : A 44 GLN : amide:sc= -0.0488 K(o=-0.049,f=-1) 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= -0.0904 USER MOD Single : A 50 GLN : amide:sc= 1.2 K(o=1.2,f=-0.17) USER MOD Single : A 51 GLN : amide:sc= -2.21 K(o=-2.2,f=-0.79) USER MOD Single : A 52 MET CE :methyl 160:sc= -0.27 (180deg=-1.19) USER MOD Single : A 53 GLN : amide:sc= -1.28! K(o=-1.3!,f=-0.0076) USER MOD Single : A 56 SER OG : rot 7:sc= 0.788 USER MOD Single : A 57 ASN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 60 ASN : amide:sc= -0.0326 X(o=-0.033,f=-0.24) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0244 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.117 K(o=-0.12,f=-0.72) USER MOD Single : A 68 THR OG1 : rot 81:sc= 1.21 USER MOD Single : A 71 GLN : amide:sc= -0.18 K(o=-0.18,f=-0.9) USER MOD ----------------------------------------------------------------- ATOM 478 N SER A 30 8.461 -0.276 3.516 1.00 0.00 N ATOM 479 CA SER A 30 8.797 0.387 4.759 1.00 0.00 C ATOM 480 C SER A 30 7.533 0.725 5.528 1.00 0.00 C ATOM 481 O SER A 30 6.460 0.893 4.938 1.00 0.00 O ATOM 482 CB SER A 30 9.613 1.653 4.479 1.00 0.00 C ATOM 483 OG SER A 30 9.943 2.339 5.675 1.00 0.00 O ATOM 0 HA SER A 30 9.402 -0.286 5.367 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.527 1.387 3.948 1.00 0.00 H new ATOM 0 HB3 SER A 30 9.045 2.315 3.825 1.00 0.00 H new ATOM 0 HG SER A 30 10.465 3.140 5.459 1.00 0.00 H new ATOM 489 N SER A 31 7.665 0.833 6.842 1.00 0.00 N ATOM 490 CA SER A 31 6.542 1.156 7.700 1.00 0.00 C ATOM 491 C SER A 31 6.012 2.551 7.385 1.00 0.00 C ATOM 492 O SER A 31 4.854 2.858 7.657 1.00 0.00 O ATOM 493 CB SER A 31 6.959 1.060 9.165 1.00 0.00 C ATOM 494 OG SER A 31 7.427 -0.244 9.479 1.00 0.00 O ATOM 0 H SER A 31 8.547 0.700 7.337 1.00 0.00 H new ATOM 0 HA SER A 31 5.743 0.438 7.516 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.741 1.790 9.372 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.112 1.310 9.804 1.00 0.00 H new ATOM 0 HG SER A 31 7.690 -0.279 10.423 1.00 0.00 H new ATOM 500 N THR A 32 6.863 3.384 6.793 1.00 0.00 N ATOM 501 CA THR A 32 6.459 4.712 6.373 1.00 0.00 C ATOM 502 C THR A 32 5.352 4.621 5.324 1.00 0.00 C ATOM 503 O THR A 32 4.293 5.229 5.477 1.00 0.00 O ATOM 504 CB THR A 32 7.656 5.496 5.800 1.00 0.00 C ATOM 505 OG1 THR A 32 8.748 5.466 6.732 1.00 0.00 O ATOM 506 CG2 THR A 32 7.275 6.939 5.509 1.00 0.00 C ATOM 0 H THR A 32 7.838 3.157 6.595 1.00 0.00 H new ATOM 0 HA THR A 32 6.083 5.243 7.248 1.00 0.00 H new ATOM 0 HB THR A 32 7.957 5.023 4.865 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.507 5.964 6.363 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.138 7.469 5.106 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.463 6.961 4.782 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.950 7.422 6.430 1.00 0.00 H new ATOM 514 N GLN A 33 5.589 3.837 4.276 1.00 0.00 N ATOM 515 CA GLN A 33 4.587 3.651 3.235 1.00 0.00 C ATOM 516 C GLN A 33 3.368 2.939 3.801 1.00 0.00 C ATOM 517 O GLN A 33 2.236 3.350 3.563 1.00 0.00 O ATOM 518 CB GLN A 33 5.144 2.855 2.048 1.00 0.00 C ATOM 519 CG GLN A 33 6.266 3.556 1.298 1.00 0.00 C ATOM 520 CD GLN A 33 7.638 3.242 1.857 1.00 0.00 C ATOM 521 OE1 GLN A 33 8.117 3.908 2.771 1.00 0.00 O ATOM 522 NE2 GLN A 33 8.281 2.224 1.301 1.00 0.00 N ATOM 0 H GLN A 33 6.459 3.325 4.127 1.00 0.00 H new ATOM 0 HA GLN A 33 4.300 4.639 2.875 1.00 0.00 H new ATOM 0 HB2 GLN A 33 5.509 1.894 2.409 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.332 2.646 1.352 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.232 3.264 0.248 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.103 4.633 1.335 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.845 1.698 0.544 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.211 1.967 1.631 1.00 0.00 H new ATOM 531 N LEU A 34 3.617 1.878 4.565 1.00 0.00 N ATOM 532 CA LEU A 34 2.542 1.089 5.164 1.00 0.00 C ATOM 533 C LEU A 34 1.603 1.961 5.997 1.00 0.00 C ATOM 534 O LEU A 34 0.382 1.811 5.926 1.00 0.00 O ATOM 535 CB LEU A 34 3.121 -0.032 6.034 1.00 0.00 C ATOM 536 CG LEU A 34 3.981 -1.056 5.290 1.00 0.00 C ATOM 537 CD1 LEU A 34 4.537 -2.089 6.260 1.00 0.00 C ATOM 538 CD2 LEU A 34 3.177 -1.730 4.185 1.00 0.00 C ATOM 0 H LEU A 34 4.555 1.544 4.785 1.00 0.00 H new ATOM 0 HA LEU A 34 1.965 0.650 4.350 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.722 0.417 6.825 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.297 -0.556 6.518 1.00 0.00 H new ATOM 0 HG LEU A 34 4.819 -0.533 4.829 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.146 -2.810 5.714 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.150 -1.590 7.011 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.713 -2.608 6.751 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.806 -2.455 3.668 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.318 -2.240 4.620 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.831 -0.978 3.476 1.00 0.00 H new ATOM 550 N CYS A 35 2.173 2.877 6.772 1.00 0.00 N ATOM 551 CA CYS A 35 1.377 3.759 7.616 1.00 0.00 C ATOM 552 C CYS A 35 0.509 4.686 6.771 1.00 0.00 C ATOM 553 O CYS A 35 -0.664 4.889 7.074 1.00 0.00 O ATOM 554 CB CYS A 35 2.278 4.583 8.543 1.00 0.00 C ATOM 555 SG CYS A 35 1.381 5.634 9.714 1.00 0.00 S ATOM 0 H CYS A 35 3.180 3.028 6.833 1.00 0.00 H new ATOM 0 HA CYS A 35 0.724 3.135 8.227 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.922 3.904 9.102 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.929 5.211 7.934 1.00 0.00 H new ATOM 0 HG CYS A 35 2.231 6.286 10.451 1.00 0.00 H new ATOM 561 N VAL A 36 1.087 5.233 5.705 1.00 0.00 N ATOM 562 CA VAL A 36 0.361 6.141 4.824 1.00 0.00 C ATOM 563 C VAL A 36 -0.759 5.403 4.097 1.00 0.00 C ATOM 564 O VAL A 36 -1.872 5.914 3.969 1.00 0.00 O ATOM 565 CB VAL A 36 1.303 6.802 3.791 1.00 0.00 C ATOM 566 CG1 VAL A 36 0.528 7.706 2.842 1.00 0.00 C ATOM 567 CG2 VAL A 36 2.396 7.590 4.494 1.00 0.00 C ATOM 0 H VAL A 36 2.055 5.063 5.431 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.069 6.924 5.448 1.00 0.00 H new ATOM 0 HB VAL A 36 1.765 6.009 3.203 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.216 8.157 2.127 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.218 7.118 2.307 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.031 8.491 3.412 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.049 8.048 3.751 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.945 8.368 5.110 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.979 6.920 5.126 1.00 0.00 H new ATOM 577 N LEU A 37 -0.454 4.197 3.633 1.00 0.00 N ATOM 578 CA LEU A 37 -1.434 3.363 2.952 1.00 0.00 C ATOM 579 C LEU A 37 -2.611 3.056 3.870 1.00 0.00 C ATOM 580 O LEU A 37 -3.768 3.245 3.498 1.00 0.00 O ATOM 581 CB LEU A 37 -0.786 2.055 2.486 1.00 0.00 C ATOM 582 CG LEU A 37 0.348 2.214 1.472 1.00 0.00 C ATOM 583 CD1 LEU A 37 0.997 0.871 1.179 1.00 0.00 C ATOM 584 CD2 LEU A 37 -0.169 2.843 0.188 1.00 0.00 C ATOM 0 H LEU A 37 0.470 3.774 3.717 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.801 3.910 2.083 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.400 1.529 3.359 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.558 1.422 2.048 1.00 0.00 H new ATOM 0 HG LEU A 37 1.101 2.874 1.903 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.801 1.006 0.456 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.404 0.455 2.101 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.252 0.188 0.770 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.652 2.948 -0.522 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.942 2.207 -0.243 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.588 3.825 0.407 1.00 0.00 H new ATOM 596 N ASN A 38 -2.304 2.612 5.085 1.00 0.00 N ATOM 597 CA ASN A 38 -3.329 2.215 6.045 1.00 0.00 C ATOM 598 C ASN A 38 -4.147 3.421 6.482 1.00 0.00 C ATOM 599 O ASN A 38 -5.370 3.344 6.585 1.00 0.00 O ATOM 600 CB ASN A 38 -2.671 1.536 7.255 1.00 0.00 C ATOM 601 CG ASN A 38 -3.669 0.961 8.247 1.00 0.00 C ATOM 602 OD1 ASN A 38 -4.779 0.575 7.885 1.00 0.00 O ATOM 603 ND2 ASN A 38 -3.268 0.879 9.510 1.00 0.00 N ATOM 0 H ASN A 38 -1.349 2.518 5.429 1.00 0.00 H new ATOM 0 HA ASN A 38 -4.005 1.505 5.569 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -2.020 0.736 6.903 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -2.038 2.260 7.768 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -3.888 0.485 10.218 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -2.340 1.210 9.773 1.00 0.00 H new ATOM 610 N ASP A 39 -3.472 4.539 6.707 1.00 0.00 N ATOM 611 CA ASP A 39 -4.151 5.771 7.085 1.00 0.00 C ATOM 612 C ASP A 39 -5.126 6.204 5.998 1.00 0.00 C ATOM 613 O ASP A 39 -6.300 6.438 6.265 1.00 0.00 O ATOM 614 CB ASP A 39 -3.143 6.891 7.356 1.00 0.00 C ATOM 615 CG ASP A 39 -3.818 8.232 7.572 1.00 0.00 C ATOM 616 OD1 ASP A 39 -4.358 8.460 8.677 1.00 0.00 O ATOM 617 OD2 ASP A 39 -3.812 9.061 6.635 1.00 0.00 O ATOM 0 H ASP A 39 -2.458 4.619 6.635 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.708 5.575 8.001 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.551 6.639 8.236 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.452 6.966 6.517 1.00 0.00 H new ATOM 622 N ARG A 40 -4.638 6.264 4.767 1.00 0.00 N ATOM 623 CA ARG A 40 -5.443 6.725 3.641 1.00 0.00 C ATOM 624 C ARG A 40 -6.615 5.787 3.378 1.00 0.00 C ATOM 625 O ARG A 40 -7.699 6.231 3.011 1.00 0.00 O ATOM 626 CB ARG A 40 -4.581 6.865 2.386 1.00 0.00 C ATOM 627 CG ARG A 40 -4.118 8.290 2.107 1.00 0.00 C ATOM 628 CD ARG A 40 -3.404 8.918 3.298 1.00 0.00 C ATOM 629 NE ARG A 40 -2.928 10.270 2.987 1.00 0.00 N ATOM 630 CZ ARG A 40 -2.963 11.300 3.838 1.00 0.00 C ATOM 631 NH1 ARG A 40 -3.382 11.132 5.088 1.00 0.00 N ATOM 632 NH2 ARG A 40 -2.550 12.500 3.438 1.00 0.00 N ATOM 0 H ARG A 40 -3.685 5.998 4.520 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.847 7.704 3.899 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.706 6.223 2.485 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.146 6.503 1.527 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.449 8.289 1.246 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.979 8.902 1.840 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.082 8.957 4.151 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.561 8.292 3.589 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.544 10.436 2.057 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.681 10.210 5.406 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.405 11.925 5.729 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.209 12.631 2.486 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.575 13.289 4.084 1.00 0.00 H new ATOM 646 N PHE A 41 -6.401 4.496 3.585 1.00 0.00 N ATOM 647 CA PHE A 41 -7.468 3.519 3.424 1.00 0.00 C ATOM 648 C PHE A 41 -8.518 3.667 4.516 1.00 0.00 C ATOM 649 O PHE A 41 -9.671 3.285 4.330 1.00 0.00 O ATOM 650 CB PHE A 41 -6.914 2.098 3.431 1.00 0.00 C ATOM 651 CG PHE A 41 -6.341 1.691 2.107 1.00 0.00 C ATOM 652 CD1 PHE A 41 -6.977 2.067 0.938 1.00 0.00 C ATOM 653 CD2 PHE A 41 -5.183 0.935 2.024 1.00 0.00 C ATOM 654 CE1 PHE A 41 -6.474 1.701 -0.288 1.00 0.00 C ATOM 655 CE2 PHE A 41 -4.671 0.563 0.794 1.00 0.00 C ATOM 656 CZ PHE A 41 -5.319 0.948 -0.365 1.00 0.00 C ATOM 0 H PHE A 41 -5.502 4.102 3.864 1.00 0.00 H new ATOM 0 HA PHE A 41 -7.939 3.708 2.459 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -6.142 2.018 4.196 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -7.709 1.405 3.706 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -7.881 2.656 0.989 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.675 0.633 2.928 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -6.983 2.003 -1.192 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.768 -0.026 0.739 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.923 0.661 -1.328 1.00 0.00 H new ATOM 666 N GLN A 42 -8.110 4.193 5.664 1.00 0.00 N ATOM 667 CA GLN A 42 -9.045 4.419 6.765 1.00 0.00 C ATOM 668 C GLN A 42 -9.741 5.777 6.648 1.00 0.00 C ATOM 669 O GLN A 42 -10.925 5.901 6.965 1.00 0.00 O ATOM 670 CB GLN A 42 -8.335 4.305 8.117 1.00 0.00 C ATOM 671 CG GLN A 42 -7.813 2.907 8.409 1.00 0.00 C ATOM 672 CD GLN A 42 -8.912 1.864 8.405 1.00 0.00 C ATOM 673 OE1 GLN A 42 -9.233 1.285 7.368 1.00 0.00 O ATOM 674 NE2 GLN A 42 -9.484 1.603 9.570 1.00 0.00 N ATOM 0 H GLN A 42 -7.148 4.470 5.859 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.809 3.644 6.702 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.503 5.008 8.142 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -9.025 4.600 8.907 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.061 2.641 7.666 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.317 2.903 9.380 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -9.189 2.106 10.407 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -10.220 0.899 9.631 1.00 0.00 H new ATOM 683 N ARG A 43 -9.009 6.794 6.199 1.00 0.00 N ATOM 684 CA ARG A 43 -9.578 8.133 6.052 1.00 0.00 C ATOM 685 C ARG A 43 -10.503 8.187 4.838 1.00 0.00 C ATOM 686 O ARG A 43 -11.618 8.706 4.910 1.00 0.00 O ATOM 687 CB ARG A 43 -8.477 9.194 5.903 1.00 0.00 C ATOM 688 CG ARG A 43 -7.376 9.114 6.953 1.00 0.00 C ATOM 689 CD ARG A 43 -7.901 9.278 8.372 1.00 0.00 C ATOM 690 NE ARG A 43 -6.839 9.060 9.357 1.00 0.00 N ATOM 691 CZ ARG A 43 -7.023 9.022 10.677 1.00 0.00 C ATOM 692 NH1 ARG A 43 -8.218 9.272 11.202 1.00 0.00 N ATOM 693 NH2 ARG A 43 -5.992 8.763 11.474 1.00 0.00 N ATOM 0 H ARG A 43 -8.027 6.719 5.932 1.00 0.00 H new ATOM 0 HA ARG A 43 -10.149 8.349 6.955 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.027 9.096 4.915 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.934 10.182 5.949 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -6.868 8.154 6.867 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -6.633 9.887 6.754 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -8.316 10.278 8.496 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.713 8.572 8.546 1.00 0.00 H new ATOM 0 HE ARG A 43 -5.890 8.928 9.008 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.006 9.496 10.594 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.348 9.240 12.213 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -5.068 8.595 11.075 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -6.124 8.732 12.485 1.00 0.00 H new ATOM 707 N GLN A 44 -10.031 7.644 3.727 1.00 0.00 N ATOM 708 CA GLN A 44 -10.797 7.620 2.489 1.00 0.00 C ATOM 709 C GLN A 44 -11.438 6.251 2.307 1.00 0.00 C ATOM 710 O GLN A 44 -11.296 5.381 3.167 1.00 0.00 O ATOM 711 CB GLN A 44 -9.885 7.941 1.303 1.00 0.00 C ATOM 712 CG GLN A 44 -9.294 9.341 1.350 1.00 0.00 C ATOM 713 CD GLN A 44 -8.238 9.570 0.286 1.00 0.00 C ATOM 714 OE1 GLN A 44 -7.047 9.361 0.517 1.00 0.00 O ATOM 715 NE2 GLN A 44 -8.666 9.988 -0.894 1.00 0.00 N ATOM 0 H GLN A 44 -9.111 7.209 3.657 1.00 0.00 H new ATOM 0 HA GLN A 44 -11.583 8.374 2.539 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -9.073 7.214 1.273 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -10.451 7.826 0.379 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -10.093 10.072 1.225 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -8.856 9.512 2.333 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -9.661 10.150 -1.047 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -8.001 10.148 -1.650 1.00 0.00 H new ATOM 724 N LYS A 45 -12.152 6.056 1.206 1.00 0.00 N ATOM 725 CA LYS A 45 -12.737 4.755 0.925 1.00 0.00 C ATOM 726 C LYS A 45 -11.667 3.792 0.427 1.00 0.00 C ATOM 727 O LYS A 45 -11.452 2.732 1.015 1.00 0.00 O ATOM 728 CB LYS A 45 -13.826 4.874 -0.140 1.00 0.00 C ATOM 729 CG LYS A 45 -15.029 5.706 0.269 1.00 0.00 C ATOM 730 CD LYS A 45 -16.028 5.791 -0.873 1.00 0.00 C ATOM 731 CE LYS A 45 -17.330 6.446 -0.447 1.00 0.00 C ATOM 732 NZ LYS A 45 -18.305 6.511 -1.570 1.00 0.00 N ATOM 0 H LYS A 45 -12.337 6.772 0.503 1.00 0.00 H new ATOM 0 HA LYS A 45 -13.173 4.376 1.849 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.389 5.310 -1.039 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.167 3.873 -0.404 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -15.505 5.263 1.144 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.707 6.708 0.554 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -15.590 6.357 -1.695 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -16.233 4.789 -1.250 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -17.765 5.887 0.381 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -17.129 7.453 -0.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -19.182 6.964 -1.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -17.899 7.066 -2.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -18.516 5.549 -1.903 1.00 0.00 H new ATOM 746 N TYR A 46 -10.971 4.207 -0.627 1.00 0.00 N ATOM 747 CA TYR A 46 -9.947 3.399 -1.286 1.00 0.00 C ATOM 748 C TYR A 46 -9.107 4.300 -2.180 1.00 0.00 C ATOM 749 O TYR A 46 -9.241 5.524 -2.133 1.00 0.00 O ATOM 750 CB TYR A 46 -10.569 2.282 -2.149 1.00 0.00 C ATOM 751 CG TYR A 46 -11.167 1.130 -1.368 1.00 0.00 C ATOM 752 CD1 TYR A 46 -10.351 0.235 -0.688 1.00 0.00 C ATOM 753 CD2 TYR A 46 -12.545 0.946 -1.302 1.00 0.00 C ATOM 754 CE1 TYR A 46 -10.888 -0.812 0.034 1.00 0.00 C ATOM 755 CE2 TYR A 46 -13.089 -0.098 -0.578 1.00 0.00 C ATOM 756 CZ TYR A 46 -12.256 -0.974 0.087 1.00 0.00 C ATOM 757 OH TYR A 46 -12.792 -2.012 0.816 1.00 0.00 O ATOM 0 H TYR A 46 -11.103 5.124 -1.053 1.00 0.00 H new ATOM 0 HA TYR A 46 -9.335 2.932 -0.514 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -11.346 2.718 -2.777 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -9.802 1.890 -2.817 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -9.279 0.360 -0.725 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -13.199 1.629 -1.824 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -10.239 -1.501 0.555 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -14.160 -0.227 -0.533 1.00 0.00 H new ATOM 0 HH TYR A 46 -13.770 -1.986 0.752 1.00 0.00 H new ATOM 767 N LEU A 47 -8.256 3.705 -3.003 1.00 0.00 N ATOM 768 CA LEU A 47 -7.497 4.469 -3.977 1.00 0.00 C ATOM 769 C LEU A 47 -8.230 4.492 -5.304 1.00 0.00 C ATOM 770 O LEU A 47 -8.522 3.447 -5.889 1.00 0.00 O ATOM 771 CB LEU A 47 -6.097 3.887 -4.168 1.00 0.00 C ATOM 772 CG LEU A 47 -5.216 3.901 -2.919 1.00 0.00 C ATOM 773 CD1 LEU A 47 -3.926 3.133 -3.168 1.00 0.00 C ATOM 774 CD2 LEU A 47 -4.911 5.334 -2.497 1.00 0.00 C ATOM 0 H LEU A 47 -8.076 2.701 -3.015 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.394 5.487 -3.601 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.192 2.858 -4.516 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.592 4.445 -4.957 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.758 3.411 -2.110 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.311 3.153 -2.268 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.161 2.100 -3.423 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.381 3.595 -3.991 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.283 5.325 -1.606 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.389 5.848 -3.304 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.843 5.855 -2.278 1.00 0.00 H new ATOM 786 N SER A 48 -8.547 5.686 -5.761 1.00 0.00 N ATOM 787 CA SER A 48 -9.204 5.863 -7.035 1.00 0.00 C ATOM 788 C SER A 48 -8.188 5.737 -8.163 1.00 0.00 C ATOM 789 O SER A 48 -6.985 5.590 -7.925 1.00 0.00 O ATOM 790 CB SER A 48 -9.908 7.226 -7.090 1.00 0.00 C ATOM 791 OG SER A 48 -10.632 7.381 -8.301 1.00 0.00 O ATOM 0 H SER A 48 -8.357 6.555 -5.262 1.00 0.00 H new ATOM 0 HA SER A 48 -9.959 5.086 -7.155 1.00 0.00 H new ATOM 0 HB2 SER A 48 -10.587 7.322 -6.243 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.170 8.023 -7.000 1.00 0.00 H new ATOM 0 HG SER A 48 -11.072 8.257 -8.309 1.00 0.00 H new ATOM 797 N LEU A 49 -8.686 5.823 -9.382 1.00 0.00 N ATOM 798 CA LEU A 49 -7.867 5.664 -10.574 1.00 0.00 C ATOM 799 C LEU A 49 -6.780 6.729 -10.614 1.00 0.00 C ATOM 800 O LEU A 49 -5.646 6.463 -11.003 1.00 0.00 O ATOM 801 CB LEU A 49 -8.742 5.753 -11.828 1.00 0.00 C ATOM 802 CG LEU A 49 -8.020 5.508 -13.154 1.00 0.00 C ATOM 803 CD1 LEU A 49 -7.480 4.087 -13.214 1.00 0.00 C ATOM 804 CD2 LEU A 49 -8.958 5.775 -14.320 1.00 0.00 C ATOM 0 H LEU A 49 -9.671 6.005 -9.576 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.392 4.683 -10.545 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.552 5.030 -11.736 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.200 6.742 -11.861 1.00 0.00 H new ATOM 0 HG LEU A 49 -7.177 6.195 -13.223 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -6.970 3.932 -14.165 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.778 3.930 -12.395 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.305 3.380 -13.125 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -8.432 5.597 -15.258 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -9.819 5.109 -14.254 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -9.297 6.810 -14.285 1.00 0.00 H new ATOM 816 N GLN A 50 -7.137 7.938 -10.206 1.00 0.00 N ATOM 817 CA GLN A 50 -6.177 9.029 -10.169 1.00 0.00 C ATOM 818 C GLN A 50 -5.262 8.893 -8.950 1.00 0.00 C ATOM 819 O GLN A 50 -4.055 9.056 -9.046 1.00 0.00 O ATOM 820 CB GLN A 50 -6.888 10.384 -10.145 1.00 0.00 C ATOM 821 CG GLN A 50 -5.980 11.540 -10.539 1.00 0.00 C ATOM 822 CD GLN A 50 -6.563 12.893 -10.196 1.00 0.00 C ATOM 823 OE1 GLN A 50 -7.282 13.496 -10.991 1.00 0.00 O ATOM 824 NE2 GLN A 50 -6.245 13.385 -9.013 1.00 0.00 N ATOM 0 H GLN A 50 -8.077 8.186 -9.898 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.571 8.976 -11.074 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -7.741 10.352 -10.823 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -7.282 10.564 -9.145 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.019 11.427 -10.038 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.788 11.495 -11.611 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.645 12.852 -8.383 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.599 14.298 -8.729 1.00 0.00 H new ATOM 833 N GLN A 51 -5.843 8.549 -7.806 1.00 0.00 N ATOM 834 CA GLN A 51 -5.102 8.510 -6.550 1.00 0.00 C ATOM 835 C GLN A 51 -3.894 7.575 -6.621 1.00 0.00 C ATOM 836 O GLN A 51 -2.860 7.845 -6.009 1.00 0.00 O ATOM 837 CB GLN A 51 -6.025 8.089 -5.415 1.00 0.00 C ATOM 838 CG GLN A 51 -7.143 9.081 -5.143 1.00 0.00 C ATOM 839 CD GLN A 51 -8.074 8.619 -4.040 1.00 0.00 C ATOM 840 OE1 GLN A 51 -9.264 8.924 -4.054 1.00 0.00 O ATOM 841 NE2 GLN A 51 -7.540 7.892 -3.071 1.00 0.00 N ATOM 0 H GLN A 51 -6.827 8.293 -7.722 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.724 9.515 -6.361 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -6.461 7.119 -5.653 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.436 7.960 -4.507 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -6.711 10.044 -4.870 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -7.717 9.236 -6.057 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -6.547 7.660 -3.096 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -8.121 7.564 -2.300 1.00 0.00 H new ATOM 850 N MET A 52 -4.024 6.478 -7.362 1.00 0.00 N ATOM 851 CA MET A 52 -2.913 5.547 -7.524 1.00 0.00 C ATOM 852 C MET A 52 -1.739 6.205 -8.262 1.00 0.00 C ATOM 853 O MET A 52 -0.581 5.921 -7.957 1.00 0.00 O ATOM 854 CB MET A 52 -3.360 4.259 -8.231 1.00 0.00 C ATOM 855 CG MET A 52 -3.866 4.452 -9.651 1.00 0.00 C ATOM 856 SD MET A 52 -4.422 2.910 -10.410 1.00 0.00 S ATOM 857 CE MET A 52 -5.732 2.431 -9.282 1.00 0.00 C ATOM 0 H MET A 52 -4.877 6.214 -7.854 1.00 0.00 H new ATOM 0 HA MET A 52 -2.567 5.273 -6.527 1.00 0.00 H new ATOM 0 HB2 MET A 52 -2.522 3.563 -8.251 1.00 0.00 H new ATOM 0 HB3 MET A 52 -4.148 3.792 -7.640 1.00 0.00 H new ATOM 0 HG2 MET A 52 -4.689 5.166 -9.645 1.00 0.00 H new ATOM 0 HG3 MET A 52 -3.072 4.886 -10.259 1.00 0.00 H new ATOM 0 HE1 MET A 52 -6.397 1.723 -9.777 1.00 0.00 H new ATOM 0 HE2 MET A 52 -5.298 1.964 -8.398 1.00 0.00 H new ATOM 0 HE3 MET A 52 -6.298 3.314 -8.985 1.00 0.00 H new ATOM 867 N GLN A 53 -2.023 7.098 -9.216 1.00 0.00 N ATOM 868 CA GLN A 53 -0.945 7.777 -9.933 1.00 0.00 C ATOM 869 C GLN A 53 -0.318 8.861 -9.058 1.00 0.00 C ATOM 870 O GLN A 53 0.895 9.077 -9.113 1.00 0.00 O ATOM 871 CB GLN A 53 -1.393 8.336 -11.298 1.00 0.00 C ATOM 872 CG GLN A 53 -2.369 9.499 -11.247 1.00 0.00 C ATOM 873 CD GLN A 53 -2.774 9.978 -12.628 1.00 0.00 C ATOM 874 OE1 GLN A 53 -3.097 11.150 -12.828 1.00 0.00 O ATOM 875 NE2 GLN A 53 -2.759 9.072 -13.595 1.00 0.00 N ATOM 0 H GLN A 53 -2.966 7.361 -9.503 1.00 0.00 H new ATOM 0 HA GLN A 53 -0.184 7.028 -10.152 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.507 8.653 -11.848 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -1.850 7.527 -11.869 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.259 9.198 -10.695 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -1.917 10.325 -10.698 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -2.485 8.111 -13.389 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -3.021 9.336 -14.545 1.00 0.00 H new ATOM 884 N GLU A 54 -1.139 9.532 -8.242 1.00 0.00 N ATOM 885 CA GLU A 54 -0.616 10.475 -7.252 1.00 0.00 C ATOM 886 C GLU A 54 0.339 9.763 -6.312 1.00 0.00 C ATOM 887 O GLU A 54 1.487 10.172 -6.148 1.00 0.00 O ATOM 888 CB GLU A 54 -1.731 11.115 -6.414 1.00 0.00 C ATOM 889 CG GLU A 54 -2.324 12.380 -7.006 1.00 0.00 C ATOM 890 CD GLU A 54 -3.280 12.110 -8.140 1.00 0.00 C ATOM 891 OE1 GLU A 54 -4.449 11.781 -7.855 1.00 0.00 O ATOM 892 OE2 GLU A 54 -2.869 12.241 -9.311 1.00 0.00 O ATOM 0 H GLU A 54 -2.155 9.440 -8.248 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.103 11.262 -7.805 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.529 10.385 -6.278 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.337 11.344 -5.424 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.845 12.931 -6.223 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.517 13.020 -7.363 1.00 0.00 H new ATOM 899 N LEU A 55 -0.148 8.679 -5.721 1.00 0.00 N ATOM 900 CA LEU A 55 0.618 7.908 -4.755 1.00 0.00 C ATOM 901 C LEU A 55 1.926 7.433 -5.370 1.00 0.00 C ATOM 902 O LEU A 55 2.986 7.507 -4.747 1.00 0.00 O ATOM 903 CB LEU A 55 -0.210 6.714 -4.277 1.00 0.00 C ATOM 904 CG LEU A 55 0.306 6.021 -3.019 1.00 0.00 C ATOM 905 CD1 LEU A 55 0.207 6.954 -1.821 1.00 0.00 C ATOM 906 CD2 LEU A 55 -0.475 4.745 -2.762 1.00 0.00 C ATOM 0 H LEU A 55 -1.083 8.312 -5.899 1.00 0.00 H new ATOM 0 HA LEU A 55 0.853 8.543 -3.901 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.230 7.051 -4.093 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.257 5.981 -5.082 1.00 0.00 H new ATOM 0 HG LEU A 55 1.354 5.762 -3.170 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.579 6.445 -0.932 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.805 7.847 -2.005 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.834 7.239 -1.667 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.096 4.261 -1.862 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.530 4.985 -2.628 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.361 4.071 -3.611 1.00 0.00 H new ATOM 918 N SER A 56 1.837 6.955 -6.600 1.00 0.00 N ATOM 919 CA SER A 56 3.004 6.537 -7.360 1.00 0.00 C ATOM 920 C SER A 56 4.061 7.634 -7.421 1.00 0.00 C ATOM 921 O SER A 56 5.243 7.374 -7.192 1.00 0.00 O ATOM 922 CB SER A 56 2.565 6.137 -8.771 1.00 0.00 C ATOM 923 OG SER A 56 3.665 5.845 -9.611 1.00 0.00 O ATOM 0 H SER A 56 0.955 6.846 -7.100 1.00 0.00 H new ATOM 0 HA SER A 56 3.458 5.683 -6.857 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.913 5.265 -8.713 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.979 6.945 -9.210 1.00 0.00 H new ATOM 0 HG SER A 56 4.491 5.853 -9.083 1.00 0.00 H new ATOM 929 N ASN A 57 3.637 8.852 -7.715 1.00 0.00 N ATOM 930 CA ASN A 57 4.565 9.971 -7.832 1.00 0.00 C ATOM 931 C ASN A 57 5.200 10.293 -6.481 1.00 0.00 C ATOM 932 O ASN A 57 6.382 10.629 -6.402 1.00 0.00 O ATOM 933 CB ASN A 57 3.841 11.205 -8.375 1.00 0.00 C ATOM 934 CG ASN A 57 4.779 12.373 -8.607 1.00 0.00 C ATOM 935 OD1 ASN A 57 5.943 12.195 -8.969 1.00 0.00 O ATOM 936 ND2 ASN A 57 4.278 13.582 -8.406 1.00 0.00 N ATOM 0 H ASN A 57 2.659 9.094 -7.877 1.00 0.00 H new ATOM 0 HA ASN A 57 5.355 9.686 -8.527 1.00 0.00 H new ATOM 0 HB2 ASN A 57 3.346 10.949 -9.312 1.00 0.00 H new ATOM 0 HB3 ASN A 57 3.062 11.503 -7.674 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.861 14.406 -8.551 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.309 13.689 -8.106 1.00 0.00 H new ATOM 943 N ILE A 58 4.416 10.158 -5.420 1.00 0.00 N ATOM 944 CA ILE A 58 4.865 10.518 -4.082 1.00 0.00 C ATOM 945 C ILE A 58 5.921 9.544 -3.578 1.00 0.00 C ATOM 946 O ILE A 58 6.949 9.954 -3.038 1.00 0.00 O ATOM 947 CB ILE A 58 3.691 10.541 -3.082 1.00 0.00 C ATOM 948 CG1 ILE A 58 2.546 11.390 -3.637 1.00 0.00 C ATOM 949 CG2 ILE A 58 4.152 11.077 -1.733 1.00 0.00 C ATOM 950 CD1 ILE A 58 1.356 11.510 -2.706 1.00 0.00 C ATOM 0 H ILE A 58 3.462 9.800 -5.461 1.00 0.00 H new ATOM 0 HA ILE A 58 5.296 11.517 -4.152 1.00 0.00 H new ATOM 0 HB ILE A 58 3.331 9.522 -2.939 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.923 12.389 -3.858 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.213 10.959 -4.581 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.312 11.087 -1.039 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.942 10.438 -1.338 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.533 12.091 -1.855 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.589 12.127 -3.174 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.951 10.519 -2.504 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.671 11.971 -1.770 1.00 0.00 H new ATOM 962 N LEU A 59 5.678 8.254 -3.771 1.00 0.00 N ATOM 963 CA LEU A 59 6.577 7.237 -3.246 1.00 0.00 C ATOM 964 C LEU A 59 7.669 6.886 -4.248 1.00 0.00 C ATOM 965 O LEU A 59 8.443 5.954 -4.027 1.00 0.00 O ATOM 966 CB LEU A 59 5.806 5.977 -2.836 1.00 0.00 C ATOM 967 CG LEU A 59 5.023 6.077 -1.520 1.00 0.00 C ATOM 968 CD1 LEU A 59 5.908 6.619 -0.411 1.00 0.00 C ATOM 969 CD2 LEU A 59 3.781 6.938 -1.680 1.00 0.00 C ATOM 0 H LEU A 59 4.874 7.890 -4.282 1.00 0.00 H new ATOM 0 HA LEU A 59 7.054 7.654 -2.359 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.109 5.724 -3.634 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.512 5.151 -2.756 1.00 0.00 H new ATOM 0 HG LEU A 59 4.700 5.072 -1.248 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.335 6.682 0.514 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.758 5.953 -0.266 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.267 7.611 -0.684 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.249 6.989 -0.730 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.072 7.943 -1.987 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.130 6.501 -2.438 1.00 0.00 H new ATOM 981 N ASN A 60 7.723 7.644 -5.342 1.00 0.00 N ATOM 982 CA ASN A 60 8.750 7.469 -6.372 1.00 0.00 C ATOM 983 C ASN A 60 8.656 6.069 -6.985 1.00 0.00 C ATOM 984 O ASN A 60 9.646 5.494 -7.441 1.00 0.00 O ATOM 985 CB ASN A 60 10.146 7.721 -5.775 1.00 0.00 C ATOM 986 CG ASN A 60 11.201 8.031 -6.826 1.00 0.00 C ATOM 987 OD1 ASN A 60 11.891 7.138 -7.323 1.00 0.00 O ATOM 988 ND2 ASN A 60 11.331 9.303 -7.175 1.00 0.00 N ATOM 0 H ASN A 60 7.060 8.394 -5.540 1.00 0.00 H new ATOM 0 HA ASN A 60 8.583 8.196 -7.167 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.088 8.552 -5.071 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.455 6.843 -5.207 1.00 0.00 H new ATOM 0 HD21 ASN A 60 12.020 9.571 -7.877 1.00 0.00 H new ATOM 0 HD22 ASN A 60 10.742 10.014 -6.741 1.00 0.00 H new ATOM 995 N LEU A 61 7.440 5.544 -7.030 1.00 0.00 N ATOM 996 CA LEU A 61 7.196 4.215 -7.566 1.00 0.00 C ATOM 997 C LEU A 61 6.496 4.326 -8.907 1.00 0.00 C ATOM 998 O LEU A 61 6.256 5.429 -9.394 1.00 0.00 O ATOM 999 CB LEU A 61 6.348 3.389 -6.595 1.00 0.00 C ATOM 1000 CG LEU A 61 6.993 3.115 -5.233 1.00 0.00 C ATOM 1001 CD1 LEU A 61 6.051 2.319 -4.349 1.00 0.00 C ATOM 1002 CD2 LEU A 61 8.310 2.371 -5.396 1.00 0.00 C ATOM 0 H LEU A 61 6.602 6.023 -6.699 1.00 0.00 H new ATOM 0 HA LEU A 61 8.152 3.710 -7.700 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.403 3.907 -6.433 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.112 2.434 -7.066 1.00 0.00 H new ATOM 0 HG LEU A 61 7.196 4.075 -4.757 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.526 2.134 -3.386 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.131 2.883 -4.197 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.819 1.368 -4.828 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.748 2.188 -4.415 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.131 1.419 -5.896 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.996 2.972 -5.994 1.00 0.00 H new ATOM 1014 N SER A 62 6.173 3.191 -9.496 1.00 0.00 N ATOM 1015 CA SER A 62 5.554 3.167 -10.804 1.00 0.00 C ATOM 1016 C SER A 62 4.049 2.965 -10.688 1.00 0.00 C ATOM 1017 O SER A 62 3.569 2.239 -9.816 1.00 0.00 O ATOM 1018 CB SER A 62 6.185 2.060 -11.652 1.00 0.00 C ATOM 1019 OG SER A 62 5.508 1.886 -12.886 1.00 0.00 O ATOM 0 H SER A 62 6.330 2.270 -9.086 1.00 0.00 H new ATOM 0 HA SER A 62 5.724 4.127 -11.291 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.231 2.301 -11.843 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.170 1.123 -11.095 1.00 0.00 H new ATOM 0 HG SER A 62 5.941 1.172 -13.399 1.00 0.00 H new ATOM 1025 N TYR A 63 3.320 3.624 -11.578 1.00 0.00 N ATOM 1026 CA TYR A 63 1.869 3.510 -11.665 1.00 0.00 C ATOM 1027 C TYR A 63 1.458 2.057 -11.889 1.00 0.00 C ATOM 1028 O TYR A 63 0.401 1.615 -11.437 1.00 0.00 O ATOM 1029 CB TYR A 63 1.377 4.400 -12.813 1.00 0.00 C ATOM 1030 CG TYR A 63 -0.101 4.301 -13.129 1.00 0.00 C ATOM 1031 CD1 TYR A 63 -1.041 5.032 -12.413 1.00 0.00 C ATOM 1032 CD2 TYR A 63 -0.551 3.489 -14.161 1.00 0.00 C ATOM 1033 CE1 TYR A 63 -2.388 4.953 -12.716 1.00 0.00 C ATOM 1034 CE2 TYR A 63 -1.892 3.406 -14.470 1.00 0.00 C ATOM 1035 CZ TYR A 63 -2.807 4.138 -13.745 1.00 0.00 C ATOM 1036 OH TYR A 63 -4.145 4.049 -14.052 1.00 0.00 O ATOM 0 H TYR A 63 3.722 4.259 -12.267 1.00 0.00 H new ATOM 0 HA TYR A 63 1.416 3.838 -10.730 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.610 5.437 -12.571 1.00 0.00 H new ATOM 0 HB3 TYR A 63 1.940 4.148 -13.712 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -0.714 5.672 -11.607 1.00 0.00 H new ATOM 0 HD2 TYR A 63 0.162 2.912 -14.732 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -3.107 5.526 -12.150 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -2.224 2.770 -15.277 1.00 0.00 H new ATOM 0 HH TYR A 63 -4.249 3.861 -15.008 1.00 0.00 H new ATOM 1046 N LYS A 64 2.322 1.321 -12.573 1.00 0.00 N ATOM 1047 CA LYS A 64 2.100 -0.088 -12.852 1.00 0.00 C ATOM 1048 C LYS A 64 2.222 -0.879 -11.556 1.00 0.00 C ATOM 1049 O LYS A 64 1.471 -1.822 -11.312 1.00 0.00 O ATOM 1050 CB LYS A 64 3.134 -0.557 -13.888 1.00 0.00 C ATOM 1051 CG LYS A 64 2.763 -1.810 -14.672 1.00 0.00 C ATOM 1052 CD LYS A 64 2.939 -3.082 -13.860 1.00 0.00 C ATOM 1053 CE LYS A 64 2.888 -4.313 -14.753 1.00 0.00 C ATOM 1054 NZ LYS A 64 2.963 -5.577 -13.975 1.00 0.00 N ATOM 0 H LYS A 64 3.197 1.685 -12.950 1.00 0.00 H new ATOM 0 HA LYS A 64 1.101 -0.248 -13.259 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.306 0.254 -14.595 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.079 -0.738 -13.375 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.727 -1.734 -15.001 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.379 -1.868 -15.569 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.892 -3.051 -13.332 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.157 -3.145 -13.103 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.965 -4.300 -15.333 1.00 0.00 H new ATOM 0 HE3 LYS A 64 3.713 -4.277 -15.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.925 -6.388 -14.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.855 -5.603 -13.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.162 -5.626 -13.314 1.00 0.00 H new ATOM 1068 N GLN A 65 3.150 -0.453 -10.710 1.00 0.00 N ATOM 1069 CA GLN A 65 3.398 -1.120 -9.441 1.00 0.00 C ATOM 1070 C GLN A 65 2.297 -0.792 -8.439 1.00 0.00 C ATOM 1071 O GLN A 65 1.779 -1.683 -7.763 1.00 0.00 O ATOM 1072 CB GLN A 65 4.760 -0.706 -8.876 1.00 0.00 C ATOM 1073 CG GLN A 65 5.916 -0.925 -9.841 1.00 0.00 C ATOM 1074 CD GLN A 65 5.995 -2.346 -10.364 1.00 0.00 C ATOM 1075 OE1 GLN A 65 5.414 -2.674 -11.399 1.00 0.00 O ATOM 1076 NE2 GLN A 65 6.716 -3.196 -9.653 1.00 0.00 N ATOM 0 H GLN A 65 3.746 0.356 -10.882 1.00 0.00 H new ATOM 0 HA GLN A 65 3.402 -2.196 -9.617 1.00 0.00 H new ATOM 0 HB2 GLN A 65 4.724 0.348 -8.600 1.00 0.00 H new ATOM 0 HB3 GLN A 65 4.950 -1.268 -7.962 1.00 0.00 H new ATOM 0 HG2 GLN A 65 5.813 -0.240 -10.683 1.00 0.00 H new ATOM 0 HG3 GLN A 65 6.852 -0.676 -9.340 1.00 0.00 H new ATOM 0 HE21 GLN A 65 7.181 -2.882 -8.801 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.807 -4.166 -9.956 1.00 0.00 H new ATOM 1085 N VAL A 66 1.928 0.486 -8.366 1.00 0.00 N ATOM 1086 CA VAL A 66 0.926 0.936 -7.399 1.00 0.00 C ATOM 1087 C VAL A 66 -0.441 0.326 -7.707 1.00 0.00 C ATOM 1088 O VAL A 66 -1.166 -0.091 -6.801 1.00 0.00 O ATOM 1089 CB VAL A 66 0.820 2.481 -7.345 1.00 0.00 C ATOM 1090 CG1 VAL A 66 -0.239 2.915 -6.340 1.00 0.00 C ATOM 1091 CG2 VAL A 66 2.170 3.091 -6.988 1.00 0.00 C ATOM 0 H VAL A 66 2.305 1.224 -8.960 1.00 0.00 H new ATOM 0 HA VAL A 66 1.256 0.592 -6.419 1.00 0.00 H new ATOM 0 HB VAL A 66 0.523 2.839 -8.331 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.296 4.003 -6.319 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.207 2.506 -6.632 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.027 2.546 -5.349 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.081 4.177 -6.954 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.490 2.722 -6.013 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.906 2.811 -7.741 1.00 0.00 H new ATOM 1101 N LYS A 67 -0.779 0.247 -8.990 1.00 0.00 N ATOM 1102 CA LYS A 67 -2.043 -0.342 -9.404 1.00 0.00 C ATOM 1103 C LYS A 67 -2.083 -1.830 -9.066 1.00 0.00 C ATOM 1104 O LYS A 67 -3.066 -2.329 -8.519 1.00 0.00 O ATOM 1105 CB LYS A 67 -2.264 -0.156 -10.909 1.00 0.00 C ATOM 1106 CG LYS A 67 -3.592 -0.717 -11.398 1.00 0.00 C ATOM 1107 CD LYS A 67 -3.642 -0.812 -12.917 1.00 0.00 C ATOM 1108 CE LYS A 67 -3.512 0.549 -13.582 1.00 0.00 C ATOM 1109 NZ LYS A 67 -4.644 1.455 -13.246 1.00 0.00 N ATOM 0 H LYS A 67 -0.196 0.583 -9.757 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.839 0.169 -8.862 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.217 0.907 -11.147 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.452 -0.640 -11.451 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.750 -1.706 -10.967 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.406 -0.083 -11.047 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.840 -1.463 -13.265 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.582 -1.274 -13.220 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.575 1.013 -13.274 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.463 0.419 -14.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.574 2.324 -13.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.544 0.978 -13.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.606 1.698 -12.235 1.00 0.00 H new ATOM 1123 N THR A 68 -1.001 -2.523 -9.388 1.00 0.00 N ATOM 1124 CA THR A 68 -0.926 -3.966 -9.211 1.00 0.00 C ATOM 1125 C THR A 68 -1.001 -4.353 -7.734 1.00 0.00 C ATOM 1126 O THR A 68 -1.674 -5.321 -7.374 1.00 0.00 O ATOM 1127 CB THR A 68 0.363 -4.525 -9.845 1.00 0.00 C ATOM 1128 OG1 THR A 68 0.379 -4.215 -11.244 1.00 0.00 O ATOM 1129 CG2 THR A 68 0.471 -6.031 -9.660 1.00 0.00 C ATOM 0 H THR A 68 -0.156 -2.105 -9.777 1.00 0.00 H new ATOM 0 HA THR A 68 -1.786 -4.405 -9.717 1.00 0.00 H new ATOM 0 HB THR A 68 1.213 -4.061 -9.345 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.683 -3.292 -11.371 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.392 -6.389 -10.120 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.481 -6.267 -8.596 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.383 -6.518 -10.131 1.00 0.00 H new ATOM 1137 N TRP A 69 -0.327 -3.588 -6.880 1.00 0.00 N ATOM 1138 CA TRP A 69 -0.363 -3.839 -5.444 1.00 0.00 C ATOM 1139 C TRP A 69 -1.796 -3.740 -4.932 1.00 0.00 C ATOM 1140 O TRP A 69 -2.275 -4.617 -4.206 1.00 0.00 O ATOM 1141 CB TRP A 69 0.534 -2.838 -4.704 1.00 0.00 C ATOM 1142 CG TRP A 69 0.608 -3.070 -3.223 1.00 0.00 C ATOM 1143 CD1 TRP A 69 1.465 -3.907 -2.572 1.00 0.00 C ATOM 1144 CD2 TRP A 69 -0.204 -2.459 -2.211 1.00 0.00 C ATOM 1145 NE1 TRP A 69 1.239 -3.854 -1.218 1.00 0.00 N ATOM 1146 CE2 TRP A 69 0.214 -2.978 -0.972 1.00 0.00 C ATOM 1147 CE3 TRP A 69 -1.248 -1.529 -2.233 1.00 0.00 C ATOM 1148 CZ2 TRP A 69 -0.371 -2.594 0.232 1.00 0.00 C ATOM 1149 CZ3 TRP A 69 -1.829 -1.149 -1.038 1.00 0.00 C ATOM 1150 CH2 TRP A 69 -1.392 -1.685 0.180 1.00 0.00 C ATOM 0 H TRP A 69 0.248 -2.792 -7.157 1.00 0.00 H new ATOM 0 HA TRP A 69 0.011 -4.845 -5.255 1.00 0.00 H new ATOM 0 HB2 TRP A 69 1.540 -2.889 -5.121 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.164 -1.829 -4.886 1.00 0.00 H new ATOM 0 HD1 TRP A 69 2.213 -4.522 -3.051 1.00 0.00 H new ATOM 0 HE1 TRP A 69 1.751 -4.381 -0.511 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -1.595 -1.115 -3.168 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 -0.031 -2.999 1.173 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -2.633 -0.427 -1.043 1.00 0.00 H new ATOM 0 HH2 TRP A 69 -1.871 -1.374 1.097 1.00 0.00 H new ATOM 1161 N PHE A 70 -2.476 -2.675 -5.341 1.00 0.00 N ATOM 1162 CA PHE A 70 -3.851 -2.428 -4.929 1.00 0.00 C ATOM 1163 C PHE A 70 -4.779 -3.543 -5.401 1.00 0.00 C ATOM 1164 O PHE A 70 -5.572 -4.065 -4.620 1.00 0.00 O ATOM 1165 CB PHE A 70 -4.327 -1.074 -5.470 1.00 0.00 C ATOM 1166 CG PHE A 70 -5.759 -0.751 -5.145 1.00 0.00 C ATOM 1167 CD1 PHE A 70 -6.119 -0.314 -3.880 1.00 0.00 C ATOM 1168 CD2 PHE A 70 -6.745 -0.877 -6.110 1.00 0.00 C ATOM 1169 CE1 PHE A 70 -7.436 -0.011 -3.586 1.00 0.00 C ATOM 1170 CE2 PHE A 70 -8.061 -0.576 -5.822 1.00 0.00 C ATOM 1171 CZ PHE A 70 -8.408 -0.141 -4.558 1.00 0.00 C ATOM 0 H PHE A 70 -2.092 -1.964 -5.963 1.00 0.00 H new ATOM 0 HA PHE A 70 -3.880 -2.408 -3.840 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -3.688 -0.289 -5.066 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -4.200 -1.063 -6.553 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.363 -0.209 -3.116 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.480 -1.215 -7.101 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -7.704 0.327 -2.596 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -8.819 -0.681 -6.585 1.00 0.00 H new ATOM 0 HZ PHE A 70 -9.437 0.097 -4.330 1.00 0.00 H new ATOM 1181 N GLN A 71 -4.668 -3.915 -6.673 1.00 0.00 N ATOM 1182 CA GLN A 71 -5.556 -4.923 -7.253 1.00 0.00 C ATOM 1183 C GLN A 71 -5.310 -6.304 -6.650 1.00 0.00 C ATOM 1184 O GLN A 71 -6.226 -7.115 -6.549 1.00 0.00 O ATOM 1185 CB GLN A 71 -5.397 -4.982 -8.773 1.00 0.00 C ATOM 1186 CG GLN A 71 -5.793 -3.694 -9.476 1.00 0.00 C ATOM 1187 CD GLN A 71 -7.232 -3.294 -9.205 1.00 0.00 C ATOM 1188 OE1 GLN A 71 -8.097 -4.139 -8.976 1.00 0.00 O ATOM 1189 NE2 GLN A 71 -7.494 -1.998 -9.234 1.00 0.00 N ATOM 0 H GLN A 71 -3.976 -3.537 -7.321 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.577 -4.625 -7.016 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -4.359 -5.213 -9.013 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -6.003 -5.800 -9.162 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -5.131 -2.891 -9.153 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -5.650 -3.813 -10.550 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -6.747 -1.331 -9.428 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -8.443 -1.666 -9.063 1.00 0.00 H new ATOM 1198 N ASN A 72 -4.074 -6.561 -6.247 1.00 0.00 N ATOM 1199 CA ASN A 72 -3.713 -7.838 -5.637 1.00 0.00 C ATOM 1200 C ASN A 72 -4.342 -7.948 -4.253 1.00 0.00 C ATOM 1201 O ASN A 72 -4.971 -8.954 -3.918 1.00 0.00 O ATOM 1202 CB ASN A 72 -2.186 -7.972 -5.545 1.00 0.00 C ATOM 1203 CG ASN A 72 -1.735 -9.325 -5.017 1.00 0.00 C ATOM 1204 OD1 ASN A 72 -2.418 -10.336 -5.177 1.00 0.00 O ATOM 1205 ND2 ASN A 72 -0.564 -9.355 -4.400 1.00 0.00 N ATOM 0 H ASN A 72 -3.300 -5.902 -6.331 1.00 0.00 H new ATOM 0 HA ASN A 72 -4.092 -8.648 -6.260 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.753 -7.812 -6.533 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.797 -7.188 -4.896 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -0.200 -10.237 -4.039 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -0.026 -8.496 -4.286 1.00 0.00 H new ATOM 1212 N GLN A 73 -4.197 -6.889 -3.464 1.00 0.00 N ATOM 1213 CA GLN A 73 -4.820 -6.821 -2.148 1.00 0.00 C ATOM 1214 C GLN A 73 -6.339 -6.805 -2.286 1.00 0.00 C ATOM 1215 O GLN A 73 -7.063 -7.261 -1.404 1.00 0.00 O ATOM 1216 CB GLN A 73 -4.339 -5.583 -1.387 1.00 0.00 C ATOM 1217 CG GLN A 73 -2.851 -5.601 -1.066 1.00 0.00 C ATOM 1218 CD GLN A 73 -2.460 -6.754 -0.159 1.00 0.00 C ATOM 1219 OE1 GLN A 73 -3.244 -7.202 0.679 1.00 0.00 O ATOM 1220 NE2 GLN A 73 -1.241 -7.241 -0.317 1.00 0.00 N ATOM 0 H GLN A 73 -3.652 -6.064 -3.714 1.00 0.00 H new ATOM 0 HA GLN A 73 -4.529 -7.705 -1.580 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -4.563 -4.695 -1.977 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -4.901 -5.498 -0.457 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -2.284 -5.667 -1.995 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -2.575 -4.660 -0.590 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -0.620 -6.843 -1.022 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -0.921 -8.014 0.266 1.00 0.00 H new ATOM 1229 N ARG A 74 -6.810 -6.262 -3.395 1.00 0.00 N ATOM 1230 CA ARG A 74 -8.231 -6.215 -3.687 1.00 0.00 C ATOM 1231 C ARG A 74 -8.756 -7.614 -4.020 1.00 0.00 C ATOM 1232 O ARG A 74 -9.741 -8.069 -3.434 1.00 0.00 O ATOM 1233 CB ARG A 74 -8.473 -5.249 -4.855 1.00 0.00 C ATOM 1234 CG ARG A 74 -9.891 -4.699 -4.967 1.00 0.00 C ATOM 1235 CD ARG A 74 -10.815 -5.611 -5.761 1.00 0.00 C ATOM 1236 NE ARG A 74 -11.481 -6.607 -4.924 1.00 0.00 N ATOM 1237 CZ ARG A 74 -12.686 -7.110 -5.191 1.00 0.00 C ATOM 1238 NH1 ARG A 74 -13.319 -6.775 -6.309 1.00 0.00 N ATOM 1239 NH2 ARG A 74 -13.246 -7.973 -4.356 1.00 0.00 N ATOM 0 H ARG A 74 -6.221 -5.843 -4.115 1.00 0.00 H new ATOM 0 HA ARG A 74 -8.771 -5.858 -2.810 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -7.783 -4.411 -4.760 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.226 -5.761 -5.785 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.300 -4.556 -3.967 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -9.859 -3.718 -5.442 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -11.567 -5.007 -6.268 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -10.240 -6.119 -6.535 1.00 0.00 H new ATOM 0 HE ARG A 74 -10.996 -6.936 -4.089 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -12.883 -6.130 -6.968 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -14.241 -7.163 -6.509 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -12.755 -8.253 -3.507 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -14.168 -8.357 -4.562 1.00 0.00 H new ATOM 1253 N MET A 75 -8.089 -8.301 -4.945 1.00 0.00 N ATOM 1254 CA MET A 75 -8.607 -9.569 -5.467 1.00 0.00 C ATOM 1255 C MET A 75 -8.390 -10.736 -4.498 1.00 0.00 C ATOM 1256 O MET A 75 -9.002 -11.796 -4.658 1.00 0.00 O ATOM 1257 CB MET A 75 -7.977 -9.906 -6.825 1.00 0.00 C ATOM 1258 CG MET A 75 -6.513 -10.317 -6.752 1.00 0.00 C ATOM 1259 SD MET A 75 -5.879 -10.907 -8.335 1.00 0.00 S ATOM 1260 CE MET A 75 -4.185 -11.286 -7.896 1.00 0.00 C ATOM 0 H MET A 75 -7.198 -8.008 -5.346 1.00 0.00 H new ATOM 0 HA MET A 75 -9.681 -9.431 -5.590 1.00 0.00 H new ATOM 0 HB2 MET A 75 -8.546 -10.713 -7.286 1.00 0.00 H new ATOM 0 HB3 MET A 75 -8.067 -9.039 -7.479 1.00 0.00 H new ATOM 0 HG2 MET A 75 -5.917 -9.467 -6.420 1.00 0.00 H new ATOM 0 HG3 MET A 75 -6.396 -11.100 -6.003 1.00 0.00 H new ATOM 0 HE1 MET A 75 -3.731 -11.887 -8.684 1.00 0.00 H new ATOM 0 HE2 MET A 75 -3.624 -10.359 -7.777 1.00 0.00 H new ATOM 0 HE3 MET A 75 -4.168 -11.843 -6.959 1.00 0.00 H new ATOM 1270 N LYS A 76 -7.535 -10.545 -3.497 1.00 0.00 N ATOM 1271 CA LYS A 76 -7.213 -11.618 -2.552 1.00 0.00 C ATOM 1272 C LYS A 76 -8.456 -12.082 -1.794 1.00 0.00 C ATOM 1273 O LYS A 76 -8.542 -13.237 -1.380 1.00 0.00 O ATOM 1274 CB LYS A 76 -6.142 -11.168 -1.552 1.00 0.00 C ATOM 1275 CG LYS A 76 -6.627 -10.120 -0.564 1.00 0.00 C ATOM 1276 CD LYS A 76 -5.555 -9.753 0.446 1.00 0.00 C ATOM 1277 CE LYS A 76 -6.071 -8.732 1.445 1.00 0.00 C ATOM 1278 NZ LYS A 76 -5.028 -8.336 2.423 1.00 0.00 N ATOM 0 H LYS A 76 -7.054 -9.664 -3.317 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.826 -12.454 -3.135 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.786 -12.037 -0.999 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.290 -10.769 -2.102 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -6.936 -9.226 -1.106 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.506 -10.495 -0.040 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -5.226 -10.648 0.974 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -4.685 -9.351 -0.073 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -6.422 -7.849 0.912 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -6.928 -9.146 1.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -5.388 -7.566 3.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -4.783 -9.152 3.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -4.181 -8.012 1.915 1.00 0.00 H new