USER MOD reduce.3.24.130724 H: found=0, std=0, add=766, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 766 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 Single : A 39 ASN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -1.23 K(o=-1.2,f=-6!) USER MOD Single : A 47 LYS NZ :NH3+ 164:sc= -0.0321 (180deg=-0.357) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -177:sc= -1.55! USER MOD Single : A 55 SER OG : rot 96:sc= 0.199 USER MOD Single : A 56 ASN : amide:sc= -2.19 K(o=-2.2,f=-3.4!) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN : amide:sc= -1.27 K(o=-1.3,f=-2!) USER MOD Single : A 61 HIS : no HD1:sc= -3.57 K(o=-3.6,f=-9.2!) USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.0735 USER MOD Single : A 69 ASN : amide:sc=-0.00591 K(o=-0.0059,f=-0.88) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 173:sc= 0 (180deg=-0.0855) USER MOD Single : A 76 LYS NZ :NH3+ -166:sc= -9.88! (180deg=-10.8!) USER MOD Single : A 77 SER OG : rot -100:sc= -0.117 USER MOD Single : A 80 CYS SG : rot -77:sc= -7.19! USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 98 ASN : amide:sc= -5.02! C(o=-5!,f=-7.9!) USER MOD Single : A 99 ASN :FLIP amide:sc= -0.0318 F(o=-1.3!,f=-0.032) USER MOD Single : A 102 LYS NZ :NH3+ 170:sc= -3.44! (180deg=-3.99!) USER MOD Single : A 105 GLN :FLIP amide:sc= -4 F(o=-6!,f=-4) USER MOD Single : A 107 LYS NZ :NH3+ -108:sc= -0.524 (180deg=-3.19!) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN :FLIP amide:sc= -1.07 F(o=-1.9,f=-1.1) USER MOD Single : A 114 ASN :FLIP amide:sc= -0.0455 F(o=-0.85,f=-0.045) USER MOD Single : A 115 HIS : no HD1:sc= -0.111 X(o=-0.11,f=-0.17) USER MOD Single : A 122 GLN :FLIP amide:sc= -0.0613 F(o=-1.5!,f=-0.061) USER MOD Single : A 126 THR OG1 : rot 170:sc= -0.113 USER MOD ----------------------------------------------------------------- ATOM 515 N PRO A 36 -6.039 1.542 2.875 1.00 0.33 N ATOM 516 CA PRO A 36 -6.505 1.902 1.544 1.00 0.40 C ATOM 517 C PRO A 36 -6.107 0.852 0.518 1.00 0.35 C ATOM 518 O PRO A 36 -6.581 0.859 -0.618 1.00 0.48 O ATOM 519 CB PRO A 36 -5.795 3.220 1.267 1.00 0.47 C ATOM 520 CG PRO A 36 -4.529 3.133 2.042 1.00 0.27 C ATOM 521 CD PRO A 36 -4.814 2.273 3.246 1.00 0.30 C ATOM 0 HA PRO A 36 -7.591 1.977 1.484 1.00 0.40 H new ATOM 0 HB2 PRO A 36 -5.600 3.349 0.202 1.00 0.47 H new ATOM 0 HB3 PRO A 36 -6.398 4.070 1.586 1.00 0.47 H new ATOM 0 HG2 PRO A 36 -3.734 2.699 1.436 1.00 0.27 H new ATOM 0 HG3 PRO A 36 -4.193 4.124 2.346 1.00 0.27 H new ATOM 0 HD2 PRO A 36 -3.989 1.591 3.455 1.00 0.30 H new ATOM 0 HD3 PRO A 36 -4.964 2.876 4.142 1.00 0.30 H new ATOM 529 N ALA A 37 -5.227 -0.049 0.940 1.00 0.27 N ATOM 530 CA ALA A 37 -4.747 -1.119 0.080 1.00 0.31 C ATOM 531 C ALA A 37 -5.709 -2.301 0.095 1.00 0.29 C ATOM 532 O ALA A 37 -5.765 -3.079 -0.855 1.00 0.35 O ATOM 533 CB ALA A 37 -3.362 -1.560 0.522 1.00 0.37 C ATOM 0 H ALA A 37 -4.830 -0.057 1.880 1.00 0.27 H new ATOM 0 HA ALA A 37 -4.690 -0.741 -0.941 1.00 0.31 H new ATOM 0 HB1 ALA A 37 -3.011 -2.362 -0.128 1.00 0.37 H new ATOM 0 HB2 ALA A 37 -2.675 -0.716 0.461 1.00 0.37 H new ATOM 0 HB3 ALA A 37 -3.405 -1.919 1.550 1.00 0.37 H new ATOM 539 N GLU A 38 -6.472 -2.428 1.179 1.00 0.28 N ATOM 540 CA GLU A 38 -7.427 -3.523 1.317 1.00 0.30 C ATOM 541 C GLU A 38 -8.342 -3.598 0.101 1.00 0.25 C ATOM 542 O GLU A 38 -8.800 -4.676 -0.271 1.00 0.25 O ATOM 543 CB GLU A 38 -8.254 -3.364 2.596 1.00 0.38 C ATOM 544 CG GLU A 38 -9.349 -2.315 2.495 1.00 0.39 C ATOM 545 CD GLU A 38 -10.103 -2.132 3.798 1.00 0.86 C ATOM 546 OE1 GLU A 38 -9.639 -1.340 4.646 1.00 1.46 O ATOM 547 OE2 GLU A 38 -11.155 -2.782 3.972 1.00 1.36 O ATOM 0 H GLU A 38 -6.447 -1.787 1.972 1.00 0.28 H new ATOM 0 HA GLU A 38 -6.864 -4.454 1.383 1.00 0.30 H new ATOM 0 HB2 GLU A 38 -8.706 -4.324 2.846 1.00 0.38 H new ATOM 0 HB3 GLU A 38 -7.588 -3.101 3.418 1.00 0.38 H new ATOM 0 HG2 GLU A 38 -8.909 -1.363 2.197 1.00 0.39 H new ATOM 0 HG3 GLU A 38 -10.050 -2.601 1.711 1.00 0.39 H new ATOM 554 N ASN A 39 -8.615 -2.445 -0.508 1.00 0.28 N ATOM 555 CA ASN A 39 -9.455 -2.403 -1.696 1.00 0.30 C ATOM 556 C ASN A 39 -8.798 -3.224 -2.795 1.00 0.24 C ATOM 557 O ASN A 39 -9.404 -4.145 -3.350 1.00 0.22 O ATOM 558 CB ASN A 39 -9.663 -0.960 -2.161 1.00 0.37 C ATOM 559 CG ASN A 39 -10.616 -0.863 -3.336 1.00 1.22 C ATOM 560 OD1 ASN A 39 -11.522 -1.684 -3.484 1.00 2.04 O ATOM 561 ND2 ASN A 39 -10.418 0.145 -4.178 1.00 2.00 N ATOM 0 H ASN A 39 -8.269 -1.537 -0.199 1.00 0.28 H new ATOM 0 HA ASN A 39 -10.433 -2.822 -1.460 1.00 0.30 H new ATOM 0 HB2 ASN A 39 -10.050 -0.367 -1.333 1.00 0.37 H new ATOM 0 HB3 ASN A 39 -8.702 -0.529 -2.440 1.00 0.37 H new ATOM 0 HD21 ASN A 39 -11.029 0.262 -4.986 1.00 2.00 H new ATOM 0 HD22 ASN A 39 -9.655 0.802 -4.017 1.00 2.00 H new ATOM 568 N PHE A 40 -7.546 -2.890 -3.096 1.00 0.23 N ATOM 569 CA PHE A 40 -6.794 -3.620 -4.100 1.00 0.21 C ATOM 570 C PHE A 40 -6.838 -5.103 -3.760 1.00 0.17 C ATOM 571 O PHE A 40 -7.008 -5.954 -4.633 1.00 0.19 O ATOM 572 CB PHE A 40 -5.341 -3.122 -4.154 1.00 0.23 C ATOM 573 CG PHE A 40 -4.320 -4.202 -3.926 1.00 0.95 C ATOM 574 CD1 PHE A 40 -3.909 -5.015 -4.968 1.00 1.59 C ATOM 575 CD2 PHE A 40 -3.756 -4.388 -2.675 1.00 1.48 C ATOM 576 CE1 PHE A 40 -2.955 -5.991 -4.766 1.00 2.32 C ATOM 577 CE2 PHE A 40 -2.807 -5.365 -2.468 1.00 2.20 C ATOM 578 CZ PHE A 40 -2.472 -6.225 -3.497 1.00 2.54 C ATOM 0 H PHE A 40 -7.037 -2.122 -2.659 1.00 0.23 H new ATOM 0 HA PHE A 40 -7.238 -3.456 -5.082 1.00 0.21 H new ATOM 0 HB2 PHE A 40 -5.160 -2.663 -5.126 1.00 0.23 H new ATOM 0 HB3 PHE A 40 -5.206 -2.343 -3.404 1.00 0.23 H new ATOM 0 HD1 PHE A 40 -4.340 -4.884 -5.950 1.00 1.59 H new ATOM 0 HD2 PHE A 40 -4.064 -3.760 -1.852 1.00 1.48 H new ATOM 0 HE1 PHE A 40 -2.588 -6.570 -5.600 1.00 2.32 H new ATOM 0 HE2 PHE A 40 -2.327 -5.459 -1.505 1.00 2.20 H new ATOM 0 HZ PHE A 40 -1.835 -7.076 -3.307 1.00 2.54 H new ATOM 588 N ARG A 41 -6.681 -5.395 -2.470 1.00 0.15 N ATOM 589 CA ARG A 41 -6.717 -6.764 -1.989 1.00 0.18 C ATOM 590 C ARG A 41 -8.061 -7.389 -2.311 1.00 0.21 C ATOM 591 O ARG A 41 -8.152 -8.573 -2.629 1.00 0.25 O ATOM 592 CB ARG A 41 -6.474 -6.813 -0.488 1.00 0.24 C ATOM 593 CG ARG A 41 -5.029 -6.579 -0.094 1.00 0.32 C ATOM 594 CD ARG A 41 -4.905 -6.370 1.401 1.00 0.33 C ATOM 595 NE ARG A 41 -3.535 -6.547 1.870 1.00 1.36 N ATOM 596 CZ ARG A 41 -3.198 -6.621 3.154 1.00 1.65 C ATOM 597 NH1 ARG A 41 -4.128 -6.527 4.094 1.00 1.07 N ATOM 598 NH2 ARG A 41 -1.928 -6.789 3.501 1.00 2.77 N ATOM 0 H ARG A 41 -6.528 -4.697 -1.743 1.00 0.15 H new ATOM 0 HA ARG A 41 -5.927 -7.326 -2.488 1.00 0.18 H new ATOM 0 HB2 ARG A 41 -7.099 -6.063 -0.004 1.00 0.24 H new ATOM 0 HB3 ARG A 41 -6.791 -7.785 -0.110 1.00 0.24 H new ATOM 0 HG2 ARG A 41 -4.422 -7.432 -0.398 1.00 0.32 H new ATOM 0 HG3 ARG A 41 -4.640 -5.707 -0.621 1.00 0.32 H new ATOM 0 HD2 ARG A 41 -5.248 -5.367 1.656 1.00 0.33 H new ATOM 0 HD3 ARG A 41 -5.558 -7.071 1.920 1.00 0.33 H new ATOM 0 HE ARG A 41 -2.793 -6.618 1.173 1.00 1.36 H new ATOM 0 HH11 ARG A 41 -5.106 -6.398 3.833 1.00 1.07 H new ATOM 0 HH12 ARG A 41 -3.866 -6.584 5.078 1.00 1.07 H new ATOM 0 HH21 ARG A 41 -1.208 -6.862 2.782 1.00 2.77 H new ATOM 0 HH22 ARG A 41 -1.672 -6.845 4.487 1.00 2.77 H new ATOM 612 N VAL A 42 -9.109 -6.581 -2.214 1.00 0.21 N ATOM 613 CA VAL A 42 -10.447 -7.049 -2.517 1.00 0.24 C ATOM 614 C VAL A 42 -10.508 -7.511 -3.962 1.00 0.20 C ATOM 615 O VAL A 42 -10.984 -8.600 -4.248 1.00 0.26 O ATOM 616 CB VAL A 42 -11.514 -5.961 -2.258 1.00 0.29 C ATOM 617 CG1 VAL A 42 -12.794 -6.253 -3.028 1.00 0.35 C ATOM 618 CG2 VAL A 42 -11.806 -5.852 -0.771 1.00 0.35 C ATOM 0 H VAL A 42 -9.055 -5.603 -1.929 1.00 0.21 H new ATOM 0 HA VAL A 42 -10.670 -7.884 -1.852 1.00 0.24 H new ATOM 0 HB VAL A 42 -11.118 -5.009 -2.611 1.00 0.29 H new ATOM 0 HG11 VAL A 42 -13.526 -5.471 -2.826 1.00 0.35 H new ATOM 0 HG12 VAL A 42 -12.578 -6.281 -4.096 1.00 0.35 H new ATOM 0 HG13 VAL A 42 -13.196 -7.216 -2.714 1.00 0.35 H new ATOM 0 HG21 VAL A 42 -12.559 -5.082 -0.604 1.00 0.35 H new ATOM 0 HG22 VAL A 42 -12.177 -6.808 -0.402 1.00 0.35 H new ATOM 0 HG23 VAL A 42 -10.892 -5.587 -0.239 1.00 0.35 H new ATOM 628 N LEU A 43 -9.996 -6.692 -4.872 1.00 0.15 N ATOM 629 CA LEU A 43 -10.013 -7.051 -6.284 1.00 0.15 C ATOM 630 C LEU A 43 -9.192 -8.309 -6.557 1.00 0.12 C ATOM 631 O LEU A 43 -9.634 -9.185 -7.298 1.00 0.14 O ATOM 632 CB LEU A 43 -9.516 -5.899 -7.148 1.00 0.16 C ATOM 633 CG LEU A 43 -10.371 -4.642 -7.071 1.00 0.19 C ATOM 634 CD1 LEU A 43 -9.709 -3.630 -6.163 1.00 0.20 C ATOM 635 CD2 LEU A 43 -10.605 -4.067 -8.461 1.00 0.24 C ATOM 0 H LEU A 43 -9.570 -5.789 -4.663 1.00 0.15 H new ATOM 0 HA LEU A 43 -11.049 -7.262 -6.548 1.00 0.15 H new ATOM 0 HB2 LEU A 43 -8.498 -5.650 -6.850 1.00 0.16 H new ATOM 0 HB3 LEU A 43 -9.472 -6.231 -8.185 1.00 0.16 H new ATOM 0 HG LEU A 43 -11.345 -4.897 -6.653 1.00 0.19 H new ATOM 0 HD11 LEU A 43 -10.324 -2.731 -6.110 1.00 0.20 H new ATOM 0 HD12 LEU A 43 -9.599 -4.054 -5.165 1.00 0.20 H new ATOM 0 HD13 LEU A 43 -8.726 -3.374 -6.559 1.00 0.20 H new ATOM 0 HD21 LEU A 43 -11.218 -3.169 -8.385 1.00 0.24 H new ATOM 0 HD22 LEU A 43 -9.647 -3.815 -8.916 1.00 0.24 H new ATOM 0 HD23 LEU A 43 -11.117 -4.805 -9.078 1.00 0.24 H new ATOM 647 N VAL A 44 -8.000 -8.408 -5.967 1.00 0.11 N ATOM 648 CA VAL A 44 -7.170 -9.587 -6.184 1.00 0.12 C ATOM 649 C VAL A 44 -7.850 -10.829 -5.614 1.00 0.15 C ATOM 650 O VAL A 44 -7.687 -11.931 -6.134 1.00 0.20 O ATOM 651 CB VAL A 44 -5.751 -9.461 -5.575 1.00 0.13 C ATOM 652 CG1 VAL A 44 -5.057 -8.191 -6.038 1.00 0.14 C ATOM 653 CG2 VAL A 44 -5.794 -9.521 -4.061 1.00 0.14 C ATOM 0 H VAL A 44 -7.597 -7.703 -5.350 1.00 0.11 H new ATOM 0 HA VAL A 44 -7.053 -9.677 -7.264 1.00 0.12 H new ATOM 0 HB VAL A 44 -5.171 -10.312 -5.933 1.00 0.13 H new ATOM 0 HG11 VAL A 44 -4.064 -8.135 -5.591 1.00 0.14 H new ATOM 0 HG12 VAL A 44 -4.966 -8.201 -7.124 1.00 0.14 H new ATOM 0 HG13 VAL A 44 -5.642 -7.324 -5.731 1.00 0.14 H new ATOM 0 HG21 VAL A 44 -4.783 -9.430 -3.664 1.00 0.14 H new ATOM 0 HG22 VAL A 44 -6.408 -8.704 -3.682 1.00 0.14 H new ATOM 0 HG23 VAL A 44 -6.223 -10.473 -3.747 1.00 0.14 H new ATOM 663 N LYS A 45 -8.628 -10.639 -4.547 1.00 0.19 N ATOM 664 CA LYS A 45 -9.328 -11.748 -3.906 1.00 0.26 C ATOM 665 C LYS A 45 -10.742 -11.908 -4.473 1.00 0.27 C ATOM 666 O LYS A 45 -11.420 -12.898 -4.197 1.00 0.32 O ATOM 667 CB LYS A 45 -9.380 -11.540 -2.387 1.00 0.32 C ATOM 668 CG LYS A 45 -10.417 -10.524 -1.937 1.00 0.34 C ATOM 669 CD LYS A 45 -10.469 -10.415 -0.422 1.00 0.42 C ATOM 670 CE LYS A 45 -9.171 -9.863 0.148 1.00 0.46 C ATOM 671 NZ LYS A 45 -9.230 -9.724 1.630 1.00 0.75 N ATOM 0 H LYS A 45 -8.787 -9.730 -4.112 1.00 0.19 H new ATOM 0 HA LYS A 45 -8.775 -12.664 -4.115 1.00 0.26 H new ATOM 0 HB2 LYS A 45 -9.590 -12.496 -1.907 1.00 0.32 H new ATOM 0 HB3 LYS A 45 -8.398 -11.219 -2.041 1.00 0.32 H new ATOM 0 HG2 LYS A 45 -10.183 -9.549 -2.365 1.00 0.34 H new ATOM 0 HG3 LYS A 45 -11.398 -10.811 -2.316 1.00 0.34 H new ATOM 0 HD2 LYS A 45 -11.298 -9.769 -0.132 1.00 0.42 H new ATOM 0 HD3 LYS A 45 -10.666 -11.398 0.007 1.00 0.42 H new ATOM 0 HE2 LYS A 45 -8.346 -10.523 -0.122 1.00 0.46 H new ATOM 0 HE3 LYS A 45 -8.962 -8.891 -0.300 1.00 0.46 H new ATOM 0 HZ1 LYS A 45 -8.327 -9.345 1.979 1.00 0.75 H new ATOM 0 HZ2 LYS A 45 -10.001 -9.075 1.887 1.00 0.75 H new ATOM 0 HZ3 LYS A 45 -9.404 -10.655 2.059 1.00 0.75 H new ATOM 685 N GLN A 46 -11.180 -10.927 -5.264 1.00 0.26 N ATOM 686 CA GLN A 46 -12.510 -10.965 -5.873 1.00 0.31 C ATOM 687 C GLN A 46 -12.400 -11.034 -7.396 1.00 0.34 C ATOM 688 O GLN A 46 -11.299 -11.025 -7.948 1.00 0.38 O ATOM 689 CB GLN A 46 -13.337 -9.735 -5.464 1.00 0.30 C ATOM 690 CG GLN A 46 -13.590 -9.627 -3.965 1.00 0.30 C ATOM 691 CD GLN A 46 -14.514 -10.708 -3.435 1.00 0.37 C ATOM 692 OE1 GLN A 46 -14.559 -11.821 -3.958 1.00 1.06 O ATOM 693 NE2 GLN A 46 -15.260 -10.381 -2.386 1.00 1.27 N ATOM 0 H GLN A 46 -10.634 -10.098 -5.497 1.00 0.26 H new ATOM 0 HA GLN A 46 -13.018 -11.860 -5.513 1.00 0.31 H new ATOM 0 HB2 GLN A 46 -12.822 -8.835 -5.801 1.00 0.30 H new ATOM 0 HB3 GLN A 46 -14.295 -9.766 -5.982 1.00 0.30 H new ATOM 0 HG2 GLN A 46 -12.638 -9.681 -3.438 1.00 0.30 H new ATOM 0 HG3 GLN A 46 -14.021 -8.650 -3.745 1.00 0.30 H new ATOM 0 HE21 GLN A 46 -15.192 -9.447 -1.983 1.00 1.27 H new ATOM 0 HE22 GLN A 46 -15.901 -11.064 -1.983 1.00 1.27 H new ATOM 702 N LYS A 47 -13.544 -11.111 -8.070 1.00 0.40 N ATOM 703 CA LYS A 47 -13.573 -11.172 -9.529 1.00 0.46 C ATOM 704 C LYS A 47 -13.364 -9.786 -10.126 1.00 0.42 C ATOM 705 O LYS A 47 -13.259 -9.623 -11.341 1.00 0.47 O ATOM 706 CB LYS A 47 -14.910 -11.738 -10.015 1.00 0.52 C ATOM 707 CG LYS A 47 -16.069 -10.758 -9.885 1.00 0.53 C ATOM 708 CD LYS A 47 -16.592 -10.690 -8.459 1.00 0.85 C ATOM 709 CE LYS A 47 -17.806 -9.780 -8.355 1.00 1.64 C ATOM 710 NZ LYS A 47 -18.941 -10.275 -9.182 1.00 2.55 N ATOM 0 H LYS A 47 -14.464 -11.133 -7.629 1.00 0.40 H new ATOM 0 HA LYS A 47 -12.766 -11.828 -9.855 1.00 0.46 H new ATOM 0 HB2 LYS A 47 -14.811 -12.035 -11.059 1.00 0.52 H new ATOM 0 HB3 LYS A 47 -15.142 -12.639 -9.448 1.00 0.52 H new ATOM 0 HG2 LYS A 47 -15.744 -9.767 -10.201 1.00 0.53 H new ATOM 0 HG3 LYS A 47 -16.875 -11.058 -10.554 1.00 0.53 H new ATOM 0 HD2 LYS A 47 -16.856 -11.691 -8.119 1.00 0.85 H new ATOM 0 HD3 LYS A 47 -15.805 -10.326 -7.798 1.00 0.85 H new ATOM 0 HE2 LYS A 47 -18.119 -9.709 -7.313 1.00 1.64 H new ATOM 0 HE3 LYS A 47 -17.535 -8.774 -8.675 1.00 1.64 H new ATOM 0 HZ1 LYS A 47 -19.819 -9.802 -8.886 1.00 2.55 H new ATOM 0 HZ2 LYS A 47 -18.757 -10.067 -10.184 1.00 2.55 H new ATOM 0 HZ3 LYS A 47 -19.042 -11.302 -9.054 1.00 2.55 H new ATOM 724 N LYS A 48 -13.310 -8.796 -9.246 1.00 0.36 N ATOM 725 CA LYS A 48 -13.135 -7.401 -9.634 1.00 0.40 C ATOM 726 C LYS A 48 -12.013 -7.221 -10.656 1.00 0.53 C ATOM 727 O LYS A 48 -12.265 -7.102 -11.855 1.00 1.19 O ATOM 728 CB LYS A 48 -12.840 -6.570 -8.394 1.00 0.32 C ATOM 729 CG LYS A 48 -13.770 -6.879 -7.236 1.00 0.73 C ATOM 730 CD LYS A 48 -14.929 -5.906 -7.186 1.00 0.46 C ATOM 731 CE LYS A 48 -14.500 -4.594 -6.561 1.00 0.89 C ATOM 732 NZ LYS A 48 -15.663 -3.717 -6.251 1.00 1.46 N ATOM 0 H LYS A 48 -13.387 -8.937 -8.239 1.00 0.36 H new ATOM 0 HA LYS A 48 -14.059 -7.066 -10.105 1.00 0.40 H new ATOM 0 HB2 LYS A 48 -11.810 -6.746 -8.082 1.00 0.32 H new ATOM 0 HB3 LYS A 48 -12.921 -5.512 -8.645 1.00 0.32 H new ATOM 0 HG2 LYS A 48 -14.150 -7.896 -7.334 1.00 0.73 H new ATOM 0 HG3 LYS A 48 -13.215 -6.835 -6.299 1.00 0.73 H new ATOM 0 HD2 LYS A 48 -15.305 -5.729 -8.194 1.00 0.46 H new ATOM 0 HD3 LYS A 48 -15.748 -6.338 -6.611 1.00 0.46 H new ATOM 0 HE2 LYS A 48 -13.942 -4.794 -5.646 1.00 0.89 H new ATOM 0 HE3 LYS A 48 -13.824 -4.073 -7.239 1.00 0.89 H new ATOM 0 HZ1 LYS A 48 -15.325 -2.830 -5.825 1.00 1.46 H new ATOM 0 HZ2 LYS A 48 -16.181 -3.505 -7.127 1.00 1.46 H new ATOM 0 HZ3 LYS A 48 -16.296 -4.203 -5.584 1.00 1.46 H new ATOM 746 N ALA A 49 -10.775 -7.204 -10.170 1.00 0.26 N ATOM 747 CA ALA A 49 -9.612 -7.018 -11.032 1.00 0.22 C ATOM 748 C ALA A 49 -8.499 -8.000 -10.700 1.00 0.20 C ATOM 749 O ALA A 49 -8.510 -8.636 -9.646 1.00 0.24 O ATOM 750 CB ALA A 49 -9.091 -5.601 -10.891 1.00 0.21 C ATOM 0 H ALA A 49 -10.551 -7.317 -9.181 1.00 0.26 H new ATOM 0 HA ALA A 49 -9.929 -7.202 -12.059 1.00 0.22 H new ATOM 0 HB1 ALA A 49 -8.223 -5.467 -11.536 1.00 0.21 H new ATOM 0 HB2 ALA A 49 -9.871 -4.896 -11.180 1.00 0.21 H new ATOM 0 HB3 ALA A 49 -8.805 -5.420 -9.855 1.00 0.21 H new ATOM 756 N SER A 50 -7.539 -8.118 -11.609 1.00 0.21 N ATOM 757 CA SER A 50 -6.397 -8.996 -11.400 1.00 0.21 C ATOM 758 C SER A 50 -5.426 -8.337 -10.433 1.00 0.18 C ATOM 759 O SER A 50 -5.583 -7.165 -10.099 1.00 0.19 O ATOM 760 CB SER A 50 -5.700 -9.296 -12.730 1.00 0.25 C ATOM 761 OG SER A 50 -5.481 -8.109 -13.468 1.00 0.27 O ATOM 0 H SER A 50 -7.529 -7.617 -12.497 1.00 0.21 H new ATOM 0 HA SER A 50 -6.744 -9.939 -10.978 1.00 0.21 H new ATOM 0 HB2 SER A 50 -4.748 -9.792 -12.542 1.00 0.25 H new ATOM 0 HB3 SER A 50 -6.308 -9.985 -13.316 1.00 0.25 H new ATOM 0 HG SER A 50 -5.077 -8.331 -14.333 1.00 0.27 H new ATOM 767 N PHE A 51 -4.427 -9.082 -9.979 1.00 0.19 N ATOM 768 CA PHE A 51 -3.449 -8.535 -9.047 1.00 0.20 C ATOM 769 C PHE A 51 -2.708 -7.360 -9.675 1.00 0.23 C ATOM 770 O PHE A 51 -2.060 -6.582 -8.982 1.00 0.26 O ATOM 771 CB PHE A 51 -2.465 -9.622 -8.604 1.00 0.23 C ATOM 772 CG PHE A 51 -1.903 -9.404 -7.226 1.00 0.23 C ATOM 773 CD1 PHE A 51 -1.006 -8.380 -6.984 1.00 0.98 C ATOM 774 CD2 PHE A 51 -2.272 -10.221 -6.172 1.00 0.98 C ATOM 775 CE1 PHE A 51 -0.490 -8.176 -5.719 1.00 0.97 C ATOM 776 CE2 PHE A 51 -1.762 -10.022 -4.905 1.00 1.05 C ATOM 777 CZ PHE A 51 -0.864 -9.009 -4.679 1.00 0.43 C ATOM 0 H PHE A 51 -4.273 -10.057 -10.237 1.00 0.19 H new ATOM 0 HA PHE A 51 -3.978 -8.172 -8.166 1.00 0.20 H new ATOM 0 HB2 PHE A 51 -2.968 -10.589 -8.633 1.00 0.23 H new ATOM 0 HB3 PHE A 51 -1.643 -9.669 -9.319 1.00 0.23 H new ATOM 0 HD1 PHE A 51 -0.705 -7.732 -7.794 1.00 0.98 H new ATOM 0 HD2 PHE A 51 -2.970 -11.027 -6.343 1.00 0.98 H new ATOM 0 HE1 PHE A 51 0.204 -7.368 -5.542 1.00 0.97 H new ATOM 0 HE2 PHE A 51 -2.069 -10.663 -4.092 1.00 1.05 H new ATOM 0 HZ PHE A 51 -0.450 -8.862 -3.692 1.00 0.43 H new ATOM 787 N GLU A 52 -2.821 -7.224 -10.992 1.00 0.25 N ATOM 788 CA GLU A 52 -2.150 -6.141 -11.696 1.00 0.28 C ATOM 789 C GLU A 52 -2.982 -4.860 -11.688 1.00 0.25 C ATOM 790 O GLU A 52 -2.485 -3.803 -11.308 1.00 0.28 O ATOM 791 CB GLU A 52 -1.801 -6.574 -13.125 1.00 0.33 C ATOM 792 CG GLU A 52 -2.897 -6.322 -14.151 1.00 0.35 C ATOM 793 CD GLU A 52 -2.530 -6.826 -15.534 1.00 0.43 C ATOM 794 OE1 GLU A 52 -1.878 -6.072 -16.286 1.00 0.83 O ATOM 795 OE2 GLU A 52 -2.896 -7.974 -15.863 1.00 0.80 O ATOM 0 H GLU A 52 -3.367 -7.846 -11.588 1.00 0.25 H new ATOM 0 HA GLU A 52 -1.223 -5.917 -11.168 1.00 0.28 H new ATOM 0 HB2 GLU A 52 -0.900 -6.048 -13.440 1.00 0.33 H new ATOM 0 HB3 GLU A 52 -1.564 -7.638 -13.120 1.00 0.33 H new ATOM 0 HG2 GLU A 52 -3.815 -6.809 -13.823 1.00 0.35 H new ATOM 0 HG3 GLU A 52 -3.104 -5.253 -14.201 1.00 0.35 H new ATOM 802 N GLU A 53 -4.240 -4.950 -12.108 1.00 0.24 N ATOM 803 CA GLU A 53 -5.119 -3.787 -12.124 1.00 0.23 C ATOM 804 C GLU A 53 -5.419 -3.358 -10.702 1.00 0.19 C ATOM 805 O GLU A 53 -5.501 -2.167 -10.398 1.00 0.21 O ATOM 806 CB GLU A 53 -6.420 -4.106 -12.858 1.00 0.27 C ATOM 807 CG GLU A 53 -7.492 -3.046 -12.678 1.00 1.06 C ATOM 808 CD GLU A 53 -8.647 -3.210 -13.646 1.00 1.05 C ATOM 809 OE1 GLU A 53 -8.512 -2.781 -14.812 1.00 1.26 O ATOM 810 OE2 GLU A 53 -9.687 -3.770 -13.239 1.00 1.23 O ATOM 0 H GLU A 53 -4.672 -5.812 -12.440 1.00 0.24 H new ATOM 0 HA GLU A 53 -4.617 -2.975 -12.650 1.00 0.23 H new ATOM 0 HB2 GLU A 53 -6.209 -4.222 -13.921 1.00 0.27 H new ATOM 0 HB3 GLU A 53 -6.803 -5.063 -12.503 1.00 0.27 H new ATOM 0 HG2 GLU A 53 -7.871 -3.088 -11.657 1.00 1.06 H new ATOM 0 HG3 GLU A 53 -7.048 -2.060 -12.813 1.00 1.06 H new ATOM 817 N ALA A 54 -5.587 -4.346 -9.837 1.00 0.19 N ATOM 818 CA ALA A 54 -5.861 -4.091 -8.438 1.00 0.16 C ATOM 819 C ALA A 54 -4.690 -3.359 -7.807 1.00 0.18 C ATOM 820 O ALA A 54 -4.857 -2.281 -7.227 1.00 0.17 O ATOM 821 CB ALA A 54 -6.135 -5.398 -7.718 1.00 0.16 C ATOM 0 H ALA A 54 -5.537 -5.334 -10.084 1.00 0.19 H new ATOM 0 HA ALA A 54 -6.746 -3.461 -8.352 1.00 0.16 H new ATOM 0 HB1 ALA A 54 -6.340 -5.198 -6.666 1.00 0.16 H new ATOM 0 HB2 ALA A 54 -6.998 -5.888 -8.169 1.00 0.16 H new ATOM 0 HB3 ALA A 54 -5.264 -6.048 -7.800 1.00 0.16 H new ATOM 827 N SER A 55 -3.491 -3.932 -7.933 1.00 0.26 N ATOM 828 CA SER A 55 -2.315 -3.290 -7.381 1.00 0.31 C ATOM 829 C SER A 55 -2.190 -1.921 -8.009 1.00 0.33 C ATOM 830 O SER A 55 -1.951 -0.932 -7.325 1.00 0.39 O ATOM 831 CB SER A 55 -1.053 -4.110 -7.645 1.00 0.43 C ATOM 832 OG SER A 55 -1.075 -5.330 -6.928 1.00 1.20 O ATOM 0 H SER A 55 -3.318 -4.820 -8.403 1.00 0.26 H new ATOM 0 HA SER A 55 -2.423 -3.208 -6.300 1.00 0.31 H new ATOM 0 HB2 SER A 55 -0.966 -4.314 -8.712 1.00 0.43 H new ATOM 0 HB3 SER A 55 -0.174 -3.532 -7.358 1.00 0.43 H new ATOM 0 HG SER A 55 -1.416 -6.043 -7.507 1.00 1.20 H new ATOM 838 N ASN A 56 -2.396 -1.882 -9.321 1.00 0.32 N ATOM 839 CA ASN A 56 -2.329 -0.643 -10.077 1.00 0.35 C ATOM 840 C ASN A 56 -3.117 0.453 -9.386 1.00 0.30 C ATOM 841 O ASN A 56 -2.587 1.527 -9.130 1.00 0.34 O ATOM 842 CB ASN A 56 -2.853 -0.860 -11.505 1.00 0.40 C ATOM 843 CG ASN A 56 -1.754 -1.242 -12.477 1.00 0.49 C ATOM 844 OD1 ASN A 56 -0.629 -0.751 -12.382 1.00 1.19 O ATOM 845 ND2 ASN A 56 -2.075 -2.120 -13.421 1.00 1.19 N ATOM 0 H ASN A 56 -2.613 -2.704 -9.885 1.00 0.32 H new ATOM 0 HA ASN A 56 -1.286 -0.331 -10.131 1.00 0.35 H new ATOM 0 HB2 ASN A 56 -3.612 -1.642 -11.495 1.00 0.40 H new ATOM 0 HB3 ASN A 56 -3.339 0.052 -11.852 1.00 0.40 H new ATOM 0 HD21 ASN A 56 -1.376 -2.412 -14.104 1.00 1.19 H new ATOM 0 HD22 ASN A 56 -3.020 -2.502 -13.462 1.00 1.19 H new ATOM 852 N GLN A 57 -4.379 0.180 -9.074 1.00 0.25 N ATOM 853 CA GLN A 57 -5.209 1.166 -8.401 1.00 0.24 C ATOM 854 C GLN A 57 -4.657 1.463 -7.014 1.00 0.20 C ATOM 855 O GLN A 57 -4.827 2.565 -6.494 1.00 0.19 O ATOM 856 CB GLN A 57 -6.657 0.691 -8.313 1.00 0.27 C ATOM 857 CG GLN A 57 -7.440 0.931 -9.592 1.00 0.85 C ATOM 858 CD GLN A 57 -8.922 0.654 -9.431 1.00 1.10 C ATOM 859 OE1 GLN A 57 -9.382 -0.467 -9.645 1.00 1.66 O ATOM 860 NE2 GLN A 57 -9.678 1.679 -9.055 1.00 1.57 N ATOM 0 H GLN A 57 -4.843 -0.706 -9.274 1.00 0.25 H new ATOM 0 HA GLN A 57 -5.192 2.085 -8.987 1.00 0.24 H new ATOM 0 HB2 GLN A 57 -6.671 -0.374 -8.080 1.00 0.27 H new ATOM 0 HB3 GLN A 57 -7.152 1.204 -7.489 1.00 0.27 H new ATOM 0 HG2 GLN A 57 -7.300 1.964 -9.910 1.00 0.85 H new ATOM 0 HG3 GLN A 57 -7.040 0.297 -10.383 1.00 0.85 H new ATOM 0 HE21 GLN A 57 -9.254 2.592 -8.888 1.00 1.57 H new ATOM 0 HE22 GLN A 57 -10.683 1.554 -8.933 1.00 1.57 H new ATOM 869 N LEU A 58 -3.996 0.473 -6.416 1.00 0.19 N ATOM 870 CA LEU A 58 -3.400 0.656 -5.097 1.00 0.17 C ATOM 871 C LEU A 58 -2.250 1.658 -5.168 1.00 0.17 C ATOM 872 O LEU A 58 -2.286 2.690 -4.497 1.00 0.18 O ATOM 873 CB LEU A 58 -2.896 -0.684 -4.530 1.00 0.19 C ATOM 874 CG LEU A 58 -2.861 -0.817 -2.993 1.00 0.20 C ATOM 875 CD1 LEU A 58 -1.703 -1.710 -2.567 1.00 0.24 C ATOM 876 CD2 LEU A 58 -2.747 0.541 -2.311 1.00 0.20 C ATOM 0 H LEU A 58 -3.861 -0.454 -6.820 1.00 0.19 H new ATOM 0 HA LEU A 58 -4.170 1.045 -4.430 1.00 0.17 H new ATOM 0 HB2 LEU A 58 -3.527 -1.480 -4.926 1.00 0.19 H new ATOM 0 HB3 LEU A 58 -1.889 -0.857 -4.909 1.00 0.19 H new ATOM 0 HG LEU A 58 -3.802 -1.270 -2.682 1.00 0.20 H new ATOM 0 HD11 LEU A 58 -1.690 -1.795 -1.480 1.00 0.24 H new ATOM 0 HD12 LEU A 58 -1.826 -2.700 -3.007 1.00 0.24 H new ATOM 0 HD13 LEU A 58 -0.764 -1.275 -2.908 1.00 0.24 H new ATOM 0 HD21 LEU A 58 -2.725 0.404 -1.230 1.00 0.20 H new ATOM 0 HD22 LEU A 58 -1.830 1.034 -2.633 1.00 0.20 H new ATOM 0 HD23 LEU A 58 -3.604 1.157 -2.582 1.00 0.20 H new ATOM 888 N ILE A 59 -1.236 1.376 -5.993 1.00 0.19 N ATOM 889 CA ILE A 59 -0.103 2.286 -6.098 1.00 0.20 C ATOM 890 C ILE A 59 -0.569 3.609 -6.695 1.00 0.18 C ATOM 891 O ILE A 59 -0.039 4.670 -6.375 1.00 0.16 O ATOM 892 CB ILE A 59 1.036 1.743 -6.979 1.00 0.25 C ATOM 893 CG1 ILE A 59 1.223 0.238 -6.777 1.00 0.27 C ATOM 894 CG2 ILE A 59 2.320 2.495 -6.682 1.00 0.32 C ATOM 895 CD1 ILE A 59 0.763 -0.570 -7.961 1.00 0.38 C ATOM 0 H ILE A 59 -1.180 0.545 -6.582 1.00 0.19 H new ATOM 0 HA ILE A 59 0.286 2.410 -5.087 1.00 0.20 H new ATOM 0 HB ILE A 59 0.771 1.900 -8.025 1.00 0.25 H new ATOM 0 HG12 ILE A 59 2.276 0.029 -6.587 1.00 0.27 H new ATOM 0 HG13 ILE A 59 0.671 -0.077 -5.891 1.00 0.27 H new ATOM 0 HG21 ILE A 59 3.123 2.106 -7.309 1.00 0.32 H new ATOM 0 HG22 ILE A 59 2.177 3.555 -6.891 1.00 0.32 H new ATOM 0 HG23 ILE A 59 2.584 2.365 -5.632 1.00 0.32 H new ATOM 0 HD11 ILE A 59 0.920 -1.630 -7.761 1.00 0.38 H new ATOM 0 HD12 ILE A 59 -0.297 -0.387 -8.137 1.00 0.38 H new ATOM 0 HD13 ILE A 59 1.333 -0.279 -8.844 1.00 0.38 H new ATOM 907 N ASN A 60 -1.562 3.522 -7.581 1.00 0.20 N ATOM 908 CA ASN A 60 -2.125 4.702 -8.228 1.00 0.20 C ATOM 909 C ASN A 60 -2.690 5.641 -7.179 1.00 0.17 C ATOM 910 O ASN A 60 -2.445 6.848 -7.207 1.00 0.18 O ATOM 911 CB ASN A 60 -3.217 4.303 -9.217 1.00 0.22 C ATOM 912 CG ASN A 60 -2.667 3.970 -10.591 1.00 0.27 C ATOM 913 OD1 ASN A 60 -1.651 4.519 -11.016 1.00 0.81 O ATOM 914 ND2 ASN A 60 -3.340 3.066 -11.292 1.00 1.05 N ATOM 0 H ASN A 60 -1.992 2.642 -7.866 1.00 0.20 H new ATOM 0 HA ASN A 60 -1.333 5.211 -8.777 1.00 0.20 H new ATOM 0 HB2 ASN A 60 -3.757 3.440 -8.827 1.00 0.22 H new ATOM 0 HB3 ASN A 60 -3.937 5.117 -9.305 1.00 0.22 H new ATOM 0 HD21 ASN A 60 -3.019 2.801 -12.223 1.00 1.05 H new ATOM 0 HD22 ASN A 60 -4.178 2.636 -10.899 1.00 1.05 H new ATOM 921 N HIS A 61 -3.463 5.079 -6.258 1.00 0.16 N ATOM 922 CA HIS A 61 -4.028 5.860 -5.177 1.00 0.16 C ATOM 923 C HIS A 61 -2.872 6.424 -4.359 1.00 0.13 C ATOM 924 O HIS A 61 -2.904 7.567 -3.882 1.00 0.12 O ATOM 925 CB HIS A 61 -4.957 4.972 -4.343 1.00 0.20 C ATOM 926 CG HIS A 61 -4.707 5.022 -2.877 1.00 0.22 C ATOM 927 ND1 HIS A 61 -3.608 4.447 -2.294 1.00 0.23 N ATOM 928 CD2 HIS A 61 -5.424 5.571 -1.871 1.00 0.26 C ATOM 929 CE1 HIS A 61 -3.654 4.635 -0.995 1.00 0.28 C ATOM 930 NE2 HIS A 61 -4.747 5.316 -0.707 1.00 0.30 N ATOM 0 H HIS A 61 -3.709 4.089 -6.242 1.00 0.16 H new ATOM 0 HA HIS A 61 -4.629 6.690 -5.548 1.00 0.16 H new ATOM 0 HB2 HIS A 61 -5.989 5.268 -4.533 1.00 0.20 H new ATOM 0 HB3 HIS A 61 -4.854 3.941 -4.681 1.00 0.20 H new ATOM 0 HD2 HIS A 61 -6.355 6.109 -1.967 1.00 0.26 H new ATOM 0 HE1 HIS A 61 -2.920 4.290 -0.282 1.00 0.28 H new ATOM 0 HE2 HIS A 61 -5.039 5.605 0.227 1.00 0.30 H new ATOM 939 N ILE A 62 -1.834 5.603 -4.239 1.00 0.14 N ATOM 940 CA ILE A 62 -0.626 5.988 -3.535 1.00 0.13 C ATOM 941 C ILE A 62 0.089 7.089 -4.305 1.00 0.11 C ATOM 942 O ILE A 62 0.847 7.868 -3.736 1.00 0.12 O ATOM 943 CB ILE A 62 0.314 4.786 -3.360 1.00 0.14 C ATOM 944 CG1 ILE A 62 -0.345 3.738 -2.464 1.00 0.18 C ATOM 945 CG2 ILE A 62 1.657 5.224 -2.796 1.00 0.14 C ATOM 946 CD1 ILE A 62 -0.427 4.134 -1.005 1.00 0.75 C ATOM 0 H ILE A 62 -1.810 4.659 -4.626 1.00 0.14 H new ATOM 0 HA ILE A 62 -0.906 6.354 -2.547 1.00 0.13 H new ATOM 0 HB ILE A 62 0.500 4.340 -4.337 1.00 0.14 H new ATOM 0 HG12 ILE A 62 -1.352 3.542 -2.833 1.00 0.18 H new ATOM 0 HG13 ILE A 62 0.212 2.805 -2.545 1.00 0.18 H new ATOM 0 HG21 ILE A 62 2.304 4.355 -2.681 1.00 0.14 H new ATOM 0 HG22 ILE A 62 2.123 5.936 -3.477 1.00 0.14 H new ATOM 0 HG23 ILE A 62 1.507 5.695 -1.825 1.00 0.14 H new ATOM 0 HD11 ILE A 62 -0.907 3.337 -0.438 1.00 0.75 H new ATOM 0 HD12 ILE A 62 0.578 4.301 -0.616 1.00 0.75 H new ATOM 0 HD13 ILE A 62 -1.010 5.050 -0.909 1.00 0.75 H new ATOM 958 N GLU A 63 -0.155 7.138 -5.615 1.00 0.12 N ATOM 959 CA GLU A 63 0.441 8.162 -6.459 1.00 0.13 C ATOM 960 C GLU A 63 -0.270 9.479 -6.210 1.00 0.12 C ATOM 961 O GLU A 63 0.360 10.536 -6.150 1.00 0.11 O ATOM 962 CB GLU A 63 0.363 7.773 -7.937 1.00 0.17 C ATOM 963 CG GLU A 63 1.388 6.725 -8.340 1.00 0.17 C ATOM 964 CD GLU A 63 1.212 6.254 -9.768 1.00 0.21 C ATOM 965 OE1 GLU A 63 1.565 7.015 -10.693 1.00 0.80 O ATOM 966 OE2 GLU A 63 0.718 5.123 -9.964 1.00 0.70 O ATOM 0 H GLU A 63 -0.759 6.481 -6.109 1.00 0.12 H new ATOM 0 HA GLU A 63 1.497 8.264 -6.207 1.00 0.13 H new ATOM 0 HB2 GLU A 63 -0.636 7.395 -8.153 1.00 0.17 H new ATOM 0 HB3 GLU A 63 0.506 8.664 -8.548 1.00 0.17 H new ATOM 0 HG2 GLU A 63 2.390 7.137 -8.219 1.00 0.17 H new ATOM 0 HG3 GLU A 63 1.311 5.870 -7.668 1.00 0.17 H new ATOM 973 N GLN A 64 -1.594 9.410 -6.068 1.00 0.14 N ATOM 974 CA GLN A 64 -2.380 10.595 -5.769 1.00 0.14 C ATOM 975 C GLN A 64 -1.839 11.199 -4.486 1.00 0.11 C ATOM 976 O GLN A 64 -1.588 12.407 -4.395 1.00 0.10 O ATOM 977 CB GLN A 64 -3.862 10.244 -5.617 1.00 0.18 C ATOM 978 CG GLN A 64 -4.496 9.727 -6.897 1.00 0.91 C ATOM 979 CD GLN A 64 -5.974 9.428 -6.739 1.00 1.57 C ATOM 980 OE1 GLN A 64 -6.434 9.059 -5.656 1.00 2.40 O ATOM 981 NE2 GLN A 64 -6.729 9.585 -7.819 1.00 2.11 N ATOM 0 H GLN A 64 -2.136 8.551 -6.155 1.00 0.14 H new ATOM 0 HA GLN A 64 -2.302 11.311 -6.587 1.00 0.14 H new ATOM 0 HB2 GLN A 64 -3.971 9.491 -4.837 1.00 0.18 H new ATOM 0 HB3 GLN A 64 -4.405 11.129 -5.284 1.00 0.18 H new ATOM 0 HG2 GLN A 64 -4.361 10.465 -7.688 1.00 0.91 H new ATOM 0 HG3 GLN A 64 -3.978 8.822 -7.214 1.00 0.91 H new ATOM 0 HE21 GLN A 64 -6.308 9.892 -8.696 1.00 2.11 H new ATOM 0 HE22 GLN A 64 -7.731 9.398 -7.772 1.00 2.11 H new ATOM 990 N PHE A 65 -1.651 10.345 -3.485 1.00 0.11 N ATOM 991 CA PHE A 65 -1.080 10.794 -2.233 1.00 0.11 C ATOM 992 C PHE A 65 0.324 11.335 -2.507 1.00 0.10 C ATOM 993 O PHE A 65 0.654 12.456 -2.134 1.00 0.12 O ATOM 994 CB PHE A 65 -1.015 9.655 -1.206 1.00 0.14 C ATOM 995 CG PHE A 65 0.344 9.508 -0.590 1.00 0.14 C ATOM 996 CD1 PHE A 65 0.862 10.515 0.198 1.00 0.16 C ATOM 997 CD2 PHE A 65 1.080 8.344 -0.763 1.00 0.14 C ATOM 998 CE1 PHE A 65 2.088 10.370 0.799 1.00 0.18 C ATOM 999 CE2 PHE A 65 2.304 8.192 -0.155 1.00 0.16 C ATOM 1000 CZ PHE A 65 2.888 9.268 0.464 1.00 0.16 C ATOM 0 H PHE A 65 -1.884 9.353 -3.520 1.00 0.11 H new ATOM 0 HA PHE A 65 -1.713 11.576 -1.813 1.00 0.11 H new ATOM 0 HB2 PHE A 65 -1.748 9.838 -0.420 1.00 0.14 H new ATOM 0 HB3 PHE A 65 -1.293 8.719 -1.690 1.00 0.14 H new ATOM 0 HD1 PHE A 65 0.299 11.425 0.343 1.00 0.16 H new ATOM 0 HD2 PHE A 65 0.688 7.550 -1.381 1.00 0.14 H new ATOM 0 HE1 PHE A 65 2.432 11.096 1.521 1.00 0.18 H new ATOM 0 HE2 PHE A 65 2.801 7.233 -0.165 1.00 0.16 H new ATOM 0 HZ PHE A 65 3.944 9.266 0.689 1.00 0.16 H new ATOM 1010 N LEU A 66 1.158 10.523 -3.154 1.00 0.09 N ATOM 1011 CA LEU A 66 2.520 10.933 -3.461 1.00 0.10 C ATOM 1012 C LEU A 66 2.503 12.239 -4.240 1.00 0.11 C ATOM 1013 O LEU A 66 3.518 12.924 -4.354 1.00 0.17 O ATOM 1014 CB LEU A 66 3.274 9.830 -4.213 1.00 0.11 C ATOM 1015 CG LEU A 66 3.828 8.707 -3.323 1.00 0.10 C ATOM 1016 CD1 LEU A 66 4.535 7.656 -4.165 1.00 0.12 C ATOM 1017 CD2 LEU A 66 4.777 9.264 -2.261 1.00 0.08 C ATOM 0 H LEU A 66 0.914 9.585 -3.472 1.00 0.09 H new ATOM 0 HA LEU A 66 3.057 11.101 -2.527 1.00 0.10 H new ATOM 0 HB2 LEU A 66 2.605 9.391 -4.953 1.00 0.11 H new ATOM 0 HB3 LEU A 66 4.101 10.283 -4.760 1.00 0.11 H new ATOM 0 HG LEU A 66 2.986 8.238 -2.814 1.00 0.10 H new ATOM 0 HD11 LEU A 66 4.920 6.869 -3.517 1.00 0.12 H new ATOM 0 HD12 LEU A 66 3.831 7.227 -4.878 1.00 0.12 H new ATOM 0 HD13 LEU A 66 5.361 8.118 -4.705 1.00 0.12 H new ATOM 0 HD21 LEU A 66 5.154 8.447 -1.646 1.00 0.08 H new ATOM 0 HD22 LEU A 66 5.613 9.767 -2.748 1.00 0.08 H new ATOM 0 HD23 LEU A 66 4.242 9.975 -1.632 1.00 0.08 H new ATOM 1029 N ASP A 67 1.343 12.576 -4.790 1.00 0.09 N ATOM 1030 CA ASP A 67 1.190 13.834 -5.495 1.00 0.10 C ATOM 1031 C ASP A 67 0.989 14.930 -4.454 1.00 0.11 C ATOM 1032 O ASP A 67 1.506 16.039 -4.593 1.00 0.13 O ATOM 1033 CB ASP A 67 0.012 13.787 -6.469 1.00 0.11 C ATOM 1034 CG ASP A 67 -0.098 15.047 -7.303 1.00 0.12 C ATOM 1035 OD1 ASP A 67 0.628 15.155 -8.315 1.00 0.18 O ATOM 1036 OD2 ASP A 67 -0.909 15.926 -6.946 1.00 0.17 O ATOM 0 H ASP A 67 0.503 11.998 -4.760 1.00 0.09 H new ATOM 0 HA ASP A 67 2.081 14.035 -6.090 1.00 0.10 H new ATOM 0 HB2 ASP A 67 0.124 12.926 -7.129 1.00 0.11 H new ATOM 0 HB3 ASP A 67 -0.913 13.643 -5.910 1.00 0.11 H new ATOM 1041 N THR A 68 0.225 14.602 -3.402 1.00 0.10 N ATOM 1042 CA THR A 68 -0.009 15.542 -2.306 1.00 0.12 C ATOM 1043 C THR A 68 1.290 15.795 -1.543 1.00 0.13 C ATOM 1044 O THR A 68 2.347 15.287 -1.916 1.00 0.13 O ATOM 1045 CB THR A 68 -1.096 15.051 -1.308 1.00 0.12 C ATOM 1046 OG1 THR A 68 -1.668 16.172 -0.626 1.00 0.14 O ATOM 1047 CG2 THR A 68 -0.542 14.073 -0.273 1.00 0.13 C ATOM 0 H THR A 68 -0.236 13.699 -3.291 1.00 0.10 H new ATOM 0 HA THR A 68 -0.371 16.464 -2.762 1.00 0.12 H new ATOM 0 HB THR A 68 -1.852 14.527 -1.893 1.00 0.12 H new ATOM 0 HG1 THR A 68 -2.353 15.859 0.000 1.00 0.14 H new ATOM 0 HG21 THR A 68 -1.342 13.762 0.398 1.00 0.13 H new ATOM 0 HG22 THR A 68 -0.134 13.199 -0.780 1.00 0.13 H new ATOM 0 HG23 THR A 68 0.246 14.560 0.302 1.00 0.13 H new ATOM 1055 N ASN A 69 1.202 16.580 -0.478 1.00 0.15 N ATOM 1056 CA ASN A 69 2.371 16.894 0.338 1.00 0.17 C ATOM 1057 C ASN A 69 2.242 16.298 1.739 1.00 0.18 C ATOM 1058 O ASN A 69 3.108 16.496 2.591 1.00 0.20 O ATOM 1059 CB ASN A 69 2.538 18.408 0.432 1.00 0.19 C ATOM 1060 CG ASN A 69 2.960 19.031 -0.885 1.00 0.21 C ATOM 1061 OD1 ASN A 69 3.658 18.407 -1.684 1.00 0.91 O ATOM 1062 ND2 ASN A 69 2.538 20.269 -1.116 1.00 1.16 N ATOM 0 H ASN A 69 0.335 17.012 -0.158 1.00 0.15 H new ATOM 0 HA ASN A 69 3.249 16.456 -0.137 1.00 0.17 H new ATOM 0 HB2 ASN A 69 1.598 18.854 0.756 1.00 0.19 H new ATOM 0 HB3 ASN A 69 3.281 18.641 1.195 1.00 0.19 H new ATOM 0 HD21 ASN A 69 2.791 20.740 -1.984 1.00 1.16 H new ATOM 0 HD22 ASN A 69 1.961 20.748 -0.425 1.00 1.16 H new ATOM 1069 N GLU A 70 1.155 15.571 1.966 1.00 0.17 N ATOM 1070 CA GLU A 70 0.894 14.950 3.262 1.00 0.19 C ATOM 1071 C GLU A 70 1.693 13.659 3.420 1.00 0.17 C ATOM 1072 O GLU A 70 1.821 12.885 2.472 1.00 0.22 O ATOM 1073 CB GLU A 70 -0.600 14.650 3.395 1.00 0.21 C ATOM 1074 CG GLU A 70 -1.492 15.716 2.775 1.00 0.22 C ATOM 1075 CD GLU A 70 -1.638 16.941 3.658 1.00 0.30 C ATOM 1076 OE1 GLU A 70 -2.521 16.935 4.540 1.00 0.73 O ATOM 1077 OE2 GLU A 70 -0.871 17.907 3.463 1.00 0.76 O ATOM 0 H GLU A 70 0.435 15.395 1.265 1.00 0.17 H new ATOM 0 HA GLU A 70 1.202 15.643 4.045 1.00 0.19 H new ATOM 0 HB2 GLU A 70 -0.813 13.691 2.924 1.00 0.21 H new ATOM 0 HB3 GLU A 70 -0.849 14.549 4.451 1.00 0.21 H new ATOM 0 HG2 GLU A 70 -1.079 16.014 1.811 1.00 0.22 H new ATOM 0 HG3 GLU A 70 -2.478 15.292 2.582 1.00 0.22 H new ATOM 1084 N THR A 71 2.232 13.427 4.619 1.00 0.12 N ATOM 1085 CA THR A 71 3.007 12.216 4.873 1.00 0.10 C ATOM 1086 C THR A 71 2.236 11.134 5.643 1.00 0.13 C ATOM 1087 O THR A 71 2.714 10.010 5.717 1.00 0.13 O ATOM 1088 CB THR A 71 4.322 12.493 5.611 1.00 0.09 C ATOM 1089 OG1 THR A 71 4.076 13.245 6.806 1.00 0.12 O ATOM 1090 CG2 THR A 71 5.290 13.242 4.713 1.00 0.11 C ATOM 0 H THR A 71 2.147 14.054 5.419 1.00 0.12 H new ATOM 0 HA THR A 71 3.223 11.839 3.874 1.00 0.10 H new ATOM 0 HB THR A 71 4.769 11.537 5.884 1.00 0.09 H new ATOM 0 HG1 THR A 71 4.924 13.413 7.267 1.00 0.12 H new ATOM 0 HG21 THR A 71 6.217 13.430 5.254 1.00 0.11 H new ATOM 0 HG22 THR A 71 5.502 12.644 3.827 1.00 0.11 H new ATOM 0 HG23 THR A 71 4.847 14.191 4.412 1.00 0.11 H new ATOM 1098 N PRO A 72 1.074 11.418 6.275 1.00 0.17 N ATOM 1099 CA PRO A 72 0.319 10.366 6.954 1.00 0.23 C ATOM 1100 C PRO A 72 0.253 9.135 6.086 1.00 0.17 C ATOM 1101 O PRO A 72 0.256 7.996 6.552 1.00 0.17 O ATOM 1102 CB PRO A 72 -1.075 10.968 7.043 1.00 0.37 C ATOM 1103 CG PRO A 72 -0.840 12.426 7.188 1.00 0.32 C ATOM 1104 CD PRO A 72 0.415 12.733 6.409 1.00 0.18 C ATOM 0 HA PRO A 72 0.752 10.075 7.911 1.00 0.23 H new ATOM 0 HB2 PRO A 72 -1.661 10.747 6.151 1.00 0.37 H new ATOM 0 HB3 PRO A 72 -1.627 10.568 7.894 1.00 0.37 H new ATOM 0 HG2 PRO A 72 -1.686 12.996 6.803 1.00 0.32 H new ATOM 0 HG3 PRO A 72 -0.723 12.698 8.237 1.00 0.32 H new ATOM 0 HD2 PRO A 72 0.186 13.167 5.436 1.00 0.18 H new ATOM 0 HD3 PRO A 72 1.049 13.447 6.935 1.00 0.18 H new ATOM 1112 N TYR A 73 0.196 9.418 4.802 1.00 0.16 N ATOM 1113 CA TYR A 73 0.090 8.420 3.773 1.00 0.16 C ATOM 1114 C TYR A 73 1.452 7.891 3.302 1.00 0.13 C ATOM 1115 O TYR A 73 1.497 6.872 2.634 1.00 0.16 O ATOM 1116 CB TYR A 73 -0.710 9.021 2.619 1.00 0.18 C ATOM 1117 CG TYR A 73 -2.028 9.610 3.074 1.00 0.25 C ATOM 1118 CD1 TYR A 73 -2.910 8.868 3.851 1.00 1.03 C ATOM 1119 CD2 TYR A 73 -2.388 10.907 2.729 1.00 0.96 C ATOM 1120 CE1 TYR A 73 -4.114 9.401 4.269 1.00 1.09 C ATOM 1121 CE2 TYR A 73 -3.592 11.446 3.145 1.00 0.96 C ATOM 1122 CZ TYR A 73 -4.451 10.689 3.912 1.00 0.41 C ATOM 1123 OH TYR A 73 -5.650 11.222 4.327 1.00 0.50 O ATOM 0 H TYR A 73 0.223 10.372 4.442 1.00 0.16 H new ATOM 0 HA TYR A 73 -0.423 7.548 4.179 1.00 0.16 H new ATOM 0 HB2 TYR A 73 -0.117 9.797 2.135 1.00 0.18 H new ATOM 0 HB3 TYR A 73 -0.899 8.250 1.871 1.00 0.18 H new ATOM 0 HD1 TYR A 73 -2.650 7.858 4.133 1.00 1.03 H new ATOM 0 HD2 TYR A 73 -1.718 11.503 2.127 1.00 0.96 H new ATOM 0 HE1 TYR A 73 -4.788 8.811 4.873 1.00 1.09 H new ATOM 0 HE2 TYR A 73 -3.858 12.456 2.870 1.00 0.96 H new ATOM 0 HH TYR A 73 -5.734 12.139 3.991 1.00 0.50 H new ATOM 1133 N PHE A 74 2.560 8.579 3.615 1.00 0.11 N ATOM 1134 CA PHE A 74 3.877 8.100 3.173 1.00 0.10 C ATOM 1135 C PHE A 74 4.288 6.825 3.915 1.00 0.09 C ATOM 1136 O PHE A 74 4.781 5.870 3.300 1.00 0.08 O ATOM 1137 CB PHE A 74 4.942 9.232 3.188 1.00 0.11 C ATOM 1138 CG PHE A 74 5.799 9.440 4.421 1.00 0.11 C ATOM 1139 CD1 PHE A 74 5.346 9.193 5.702 1.00 0.73 C ATOM 1140 CD2 PHE A 74 7.088 9.931 4.263 1.00 0.73 C ATOM 1141 CE1 PHE A 74 6.158 9.423 6.799 1.00 0.73 C ATOM 1142 CE2 PHE A 74 7.900 10.168 5.353 1.00 0.75 C ATOM 1143 CZ PHE A 74 7.435 9.912 6.624 1.00 0.17 C ATOM 0 H PHE A 74 2.573 9.443 4.156 1.00 0.11 H new ATOM 0 HA PHE A 74 3.801 7.808 2.126 1.00 0.10 H new ATOM 0 HB2 PHE A 74 5.615 9.057 2.349 1.00 0.11 H new ATOM 0 HB3 PHE A 74 4.423 10.170 2.990 1.00 0.11 H new ATOM 0 HD1 PHE A 74 4.345 8.815 5.850 1.00 0.73 H new ATOM 0 HD2 PHE A 74 7.462 10.131 3.270 1.00 0.73 H new ATOM 0 HE1 PHE A 74 5.791 9.219 7.794 1.00 0.73 H new ATOM 0 HE2 PHE A 74 8.899 10.554 5.210 1.00 0.75 H new ATOM 0 HZ PHE A 74 8.068 10.094 7.480 1.00 0.17 H new ATOM 1153 N MET A 75 4.044 6.773 5.217 1.00 0.09 N ATOM 1154 CA MET A 75 4.349 5.570 5.978 1.00 0.09 C ATOM 1155 C MET A 75 3.262 4.564 5.677 1.00 0.09 C ATOM 1156 O MET A 75 3.505 3.367 5.529 1.00 0.11 O ATOM 1157 CB MET A 75 4.415 5.851 7.483 1.00 0.14 C ATOM 1158 CG MET A 75 3.817 7.185 7.899 1.00 0.30 C ATOM 1159 SD MET A 75 3.224 7.185 9.602 1.00 0.52 S ATOM 1160 CE MET A 75 4.729 6.784 10.488 1.00 1.81 C ATOM 0 H MET A 75 3.642 7.536 5.761 1.00 0.09 H new ATOM 0 HA MET A 75 5.329 5.189 5.690 1.00 0.09 H new ATOM 0 HB2 MET A 75 3.895 5.053 8.013 1.00 0.14 H new ATOM 0 HB3 MET A 75 5.457 5.819 7.801 1.00 0.14 H new ATOM 0 HG2 MET A 75 4.567 7.967 7.780 1.00 0.30 H new ATOM 0 HG3 MET A 75 2.991 7.432 7.232 1.00 0.30 H new ATOM 0 HE1 MET A 75 4.553 6.869 11.560 1.00 1.81 H new ATOM 0 HE2 MET A 75 5.031 5.764 10.249 1.00 1.81 H new ATOM 0 HE3 MET A 75 5.519 7.475 10.194 1.00 1.81 H new ATOM 1170 N LYS A 76 2.049 5.082 5.577 1.00 0.09 N ATOM 1171 CA LYS A 76 0.905 4.273 5.244 1.00 0.10 C ATOM 1172 C LYS A 76 1.088 3.750 3.826 1.00 0.10 C ATOM 1173 O LYS A 76 0.523 2.722 3.449 1.00 0.11 O ATOM 1174 CB LYS A 76 -0.361 5.108 5.366 1.00 0.11 C ATOM 1175 CG LYS A 76 -1.642 4.332 5.175 1.00 0.18 C ATOM 1176 CD LYS A 76 -2.492 4.960 4.092 1.00 0.19 C ATOM 1177 CE LYS A 76 -1.823 4.851 2.741 1.00 0.33 C ATOM 1178 NZ LYS A 76 -0.847 5.938 2.502 1.00 0.96 N ATOM 0 H LYS A 76 1.838 6.069 5.725 1.00 0.09 H new ATOM 0 HA LYS A 76 0.814 3.428 5.927 1.00 0.10 H new ATOM 0 HB2 LYS A 76 -0.378 5.578 6.350 1.00 0.11 H new ATOM 0 HB3 LYS A 76 -0.324 5.911 4.630 1.00 0.11 H new ATOM 0 HG2 LYS A 76 -1.412 3.300 4.911 1.00 0.18 H new ATOM 0 HG3 LYS A 76 -2.199 4.304 6.111 1.00 0.18 H new ATOM 0 HD2 LYS A 76 -3.465 4.470 4.060 1.00 0.19 H new ATOM 0 HD3 LYS A 76 -2.671 6.009 4.329 1.00 0.19 H new ATOM 0 HE2 LYS A 76 -1.316 3.889 2.667 1.00 0.33 H new ATOM 0 HE3 LYS A 76 -2.583 4.872 1.960 1.00 0.33 H new ATOM 0 HZ1 LYS A 76 -0.594 5.962 1.494 1.00 0.96 H new ATOM 0 HZ2 LYS A 76 -1.268 6.849 2.775 1.00 0.96 H new ATOM 0 HZ3 LYS A 76 0.008 5.768 3.069 1.00 0.96 H new ATOM 1192 N SER A 77 1.890 4.478 3.038 1.00 0.09 N ATOM 1193 CA SER A 77 2.194 4.060 1.677 1.00 0.09 C ATOM 1194 C SER A 77 3.055 2.833 1.787 1.00 0.08 C ATOM 1195 O SER A 77 2.782 1.809 1.169 1.00 0.09 O ATOM 1196 CB SER A 77 2.946 5.135 0.884 1.00 0.10 C ATOM 1197 OG SER A 77 4.347 4.986 1.020 1.00 0.10 O ATOM 0 H SER A 77 2.333 5.351 3.323 1.00 0.09 H new ATOM 0 HA SER A 77 1.263 3.873 1.142 1.00 0.09 H new ATOM 0 HB2 SER A 77 2.672 5.072 -0.169 1.00 0.10 H new ATOM 0 HB3 SER A 77 2.647 6.124 1.233 1.00 0.10 H new ATOM 0 HG SER A 77 4.681 5.625 1.684 1.00 0.10 H new ATOM 1203 N ILE A 78 4.108 2.950 2.595 1.00 0.09 N ATOM 1204 CA ILE A 78 4.990 1.828 2.833 1.00 0.09 C ATOM 1205 C ILE A 78 4.136 0.618 3.175 1.00 0.11 C ATOM 1206 O ILE A 78 4.407 -0.499 2.742 1.00 0.12 O ATOM 1207 CB ILE A 78 5.990 2.122 3.983 1.00 0.08 C ATOM 1208 CG1 ILE A 78 7.406 1.763 3.556 1.00 0.11 C ATOM 1209 CG2 ILE A 78 5.619 1.367 5.249 1.00 0.09 C ATOM 1210 CD1 ILE A 78 7.903 2.617 2.421 1.00 0.13 C ATOM 0 H ILE A 78 4.363 3.806 3.088 1.00 0.09 H new ATOM 0 HA ILE A 78 5.580 1.639 1.936 1.00 0.09 H new ATOM 0 HB ILE A 78 5.941 3.189 4.201 1.00 0.08 H new ATOM 0 HG12 ILE A 78 8.077 1.872 4.408 1.00 0.11 H new ATOM 0 HG13 ILE A 78 7.437 0.715 3.258 1.00 0.11 H new ATOM 0 HG21 ILE A 78 6.340 1.596 6.034 1.00 0.09 H new ATOM 0 HG22 ILE A 78 4.623 1.667 5.573 1.00 0.09 H new ATOM 0 HG23 ILE A 78 5.628 0.295 5.049 1.00 0.09 H new ATOM 0 HD11 ILE A 78 8.917 2.318 2.158 1.00 0.13 H new ATOM 0 HD12 ILE A 78 7.251 2.489 1.557 1.00 0.13 H new ATOM 0 HD13 ILE A 78 7.901 3.664 2.725 1.00 0.13 H new ATOM 1222 N ASP A 79 3.081 0.875 3.946 1.00 0.11 N ATOM 1223 CA ASP A 79 2.152 -0.166 4.351 1.00 0.13 C ATOM 1224 C ASP A 79 1.402 -0.723 3.145 1.00 0.13 C ATOM 1225 O ASP A 79 1.194 -1.931 3.040 1.00 0.16 O ATOM 1226 CB ASP A 79 1.169 0.380 5.387 1.00 0.13 C ATOM 1227 CG ASP A 79 1.667 0.206 6.808 1.00 0.15 C ATOM 1228 OD1 ASP A 79 2.437 1.070 7.276 1.00 0.69 O ATOM 1229 OD2 ASP A 79 1.286 -0.794 7.452 1.00 0.68 O ATOM 0 H ASP A 79 2.852 1.803 4.302 1.00 0.11 H new ATOM 0 HA ASP A 79 2.721 -0.980 4.801 1.00 0.13 H new ATOM 0 HB2 ASP A 79 0.993 1.438 5.194 1.00 0.13 H new ATOM 0 HB3 ASP A 79 0.211 -0.127 5.277 1.00 0.13 H new ATOM 1234 N CYS A 80 0.975 0.159 2.240 1.00 0.14 N ATOM 1235 CA CYS A 80 0.279 -0.289 1.040 1.00 0.16 C ATOM 1236 C CYS A 80 1.194 -1.233 0.281 1.00 0.14 C ATOM 1237 O CYS A 80 0.769 -2.278 -0.218 1.00 0.13 O ATOM 1238 CB CYS A 80 -0.101 0.884 0.141 1.00 0.23 C ATOM 1239 SG CYS A 80 1.162 1.296 -1.084 1.00 0.65 S ATOM 0 H CYS A 80 1.097 1.169 2.315 1.00 0.14 H new ATOM 0 HA CYS A 80 -0.642 -0.792 1.335 1.00 0.16 H new ATOM 0 HB2 CYS A 80 -1.032 0.649 -0.375 1.00 0.23 H new ATOM 0 HB3 CYS A 80 -0.292 1.759 0.762 1.00 0.23 H new ATOM 0 HG CYS A 80 2.132 1.941 -0.507 1.00 0.65 H new ATOM 1245 N ILE A 81 2.464 -0.843 0.193 1.00 0.16 N ATOM 1246 CA ILE A 81 3.453 -1.667 -0.463 1.00 0.17 C ATOM 1247 C ILE A 81 3.463 -3.012 0.242 1.00 0.17 C ATOM 1248 O ILE A 81 3.523 -4.071 -0.381 1.00 0.19 O ATOM 1249 CB ILE A 81 4.867 -1.051 -0.386 1.00 0.18 C ATOM 1250 CG1 ILE A 81 5.058 0.029 -1.448 1.00 0.18 C ATOM 1251 CG2 ILE A 81 5.931 -2.127 -0.519 1.00 0.20 C ATOM 1252 CD1 ILE A 81 4.810 1.424 -0.927 1.00 0.32 C ATOM 0 H ILE A 81 2.822 0.035 0.568 1.00 0.16 H new ATOM 0 HA ILE A 81 3.194 -1.758 -1.518 1.00 0.17 H new ATOM 0 HB ILE A 81 4.973 -0.582 0.592 1.00 0.18 H new ATOM 0 HG12 ILE A 81 6.074 -0.031 -1.839 1.00 0.18 H new ATOM 0 HG13 ILE A 81 4.383 -0.166 -2.281 1.00 0.18 H new ATOM 0 HG21 ILE A 81 6.919 -1.671 -0.462 1.00 0.20 H new ATOM 0 HG22 ILE A 81 5.819 -2.851 0.288 1.00 0.20 H new ATOM 0 HG23 ILE A 81 5.820 -2.632 -1.478 1.00 0.20 H new ATOM 0 HD11 ILE A 81 4.962 2.145 -1.730 1.00 0.32 H new ATOM 0 HD12 ILE A 81 3.786 1.499 -0.561 1.00 0.32 H new ATOM 0 HD13 ILE A 81 5.503 1.637 -0.113 1.00 0.32 H new ATOM 1264 N ARG A 82 3.397 -2.930 1.570 1.00 0.18 N ATOM 1265 CA ARG A 82 3.373 -4.100 2.430 1.00 0.20 C ATOM 1266 C ARG A 82 2.129 -4.934 2.146 1.00 0.26 C ATOM 1267 O ARG A 82 2.118 -6.149 2.349 1.00 0.36 O ATOM 1268 CB ARG A 82 3.381 -3.663 3.899 1.00 0.18 C ATOM 1269 CG ARG A 82 4.736 -3.761 4.577 1.00 0.18 C ATOM 1270 CD ARG A 82 5.584 -2.516 4.358 1.00 0.16 C ATOM 1271 NE ARG A 82 6.827 -2.579 5.119 1.00 0.33 N ATOM 1272 CZ ARG A 82 7.014 -1.965 6.284 1.00 0.92 C ATOM 1273 NH1 ARG A 82 6.037 -1.249 6.825 1.00 2.05 N ATOM 1274 NH2 ARG A 82 8.177 -2.072 6.913 1.00 0.85 N ATOM 0 H ARG A 82 3.359 -2.045 2.076 1.00 0.18 H new ATOM 0 HA ARG A 82 4.257 -4.705 2.230 1.00 0.20 H new ATOM 0 HB2 ARG A 82 3.032 -2.632 3.960 1.00 0.18 H new ATOM 0 HB3 ARG A 82 2.667 -4.275 4.451 1.00 0.18 H new ATOM 0 HG2 ARG A 82 4.594 -3.917 5.646 1.00 0.18 H new ATOM 0 HG3 ARG A 82 5.268 -4.632 4.195 1.00 0.18 H new ATOM 0 HD2 ARG A 82 5.810 -2.410 3.297 1.00 0.16 H new ATOM 0 HD3 ARG A 82 5.019 -1.632 4.654 1.00 0.16 H new ATOM 0 HE ARG A 82 7.598 -3.126 4.735 1.00 0.33 H new ATOM 0 HH11 ARG A 82 5.139 -1.168 6.347 1.00 2.05 H new ATOM 0 HH12 ARG A 82 6.183 -0.779 7.719 1.00 2.05 H new ATOM 0 HH21 ARG A 82 8.929 -2.626 6.503 1.00 0.85 H new ATOM 0 HH22 ARG A 82 8.319 -1.601 7.806 1.00 0.85 H new ATOM 1288 N ALA A 83 1.081 -4.264 1.673 1.00 0.22 N ATOM 1289 CA ALA A 83 -0.180 -4.923 1.358 1.00 0.27 C ATOM 1290 C ALA A 83 -0.078 -5.768 0.096 1.00 0.31 C ATOM 1291 O ALA A 83 -0.468 -6.936 0.089 1.00 0.40 O ATOM 1292 CB ALA A 83 -1.287 -3.896 1.198 1.00 0.25 C ATOM 0 H ALA A 83 1.083 -3.259 1.499 1.00 0.22 H new ATOM 0 HA ALA A 83 -0.415 -5.587 2.190 1.00 0.27 H new ATOM 0 HB1 ALA A 83 -2.223 -4.403 0.963 1.00 0.25 H new ATOM 0 HB2 ALA A 83 -1.401 -3.336 2.126 1.00 0.25 H new ATOM 0 HB3 ALA A 83 -1.033 -3.210 0.390 1.00 0.25 H new ATOM 1298 N PHE A 84 0.447 -5.179 -0.974 1.00 0.30 N ATOM 1299 CA PHE A 84 0.560 -5.887 -2.245 1.00 0.40 C ATOM 1300 C PHE A 84 1.813 -6.757 -2.323 1.00 0.36 C ATOM 1301 O PHE A 84 1.909 -7.627 -3.188 1.00 0.36 O ATOM 1302 CB PHE A 84 0.490 -4.905 -3.424 1.00 0.65 C ATOM 1303 CG PHE A 84 1.813 -4.393 -3.913 1.00 1.18 C ATOM 1304 CD1 PHE A 84 2.443 -3.342 -3.274 1.00 2.00 C ATOM 1305 CD2 PHE A 84 2.415 -4.954 -5.028 1.00 2.05 C ATOM 1306 CE1 PHE A 84 3.653 -2.859 -3.734 1.00 3.01 C ATOM 1307 CE2 PHE A 84 3.623 -4.475 -5.493 1.00 3.01 C ATOM 1308 CZ PHE A 84 4.244 -3.425 -4.845 1.00 3.37 C ATOM 0 H PHE A 84 0.798 -4.221 -0.987 1.00 0.30 H new ATOM 0 HA PHE A 84 -0.291 -6.565 -2.309 1.00 0.40 H new ATOM 0 HB2 PHE A 84 -0.020 -5.395 -4.253 1.00 0.65 H new ATOM 0 HB3 PHE A 84 -0.124 -4.054 -3.130 1.00 0.65 H new ATOM 0 HD1 PHE A 84 1.984 -2.893 -2.405 1.00 2.00 H new ATOM 0 HD2 PHE A 84 1.934 -5.775 -5.539 1.00 2.05 H new ATOM 0 HE1 PHE A 84 4.136 -2.039 -3.224 1.00 3.01 H new ATOM 0 HE2 PHE A 84 4.082 -4.921 -6.363 1.00 3.01 H new ATOM 0 HZ PHE A 84 5.189 -3.048 -5.207 1.00 3.37 H new ATOM 1318 N ARG A 85 2.768 -6.531 -1.429 1.00 0.39 N ATOM 1319 CA ARG A 85 3.995 -7.321 -1.438 1.00 0.43 C ATOM 1320 C ARG A 85 3.747 -8.725 -0.876 1.00 0.38 C ATOM 1321 O ARG A 85 4.180 -9.724 -1.455 1.00 0.37 O ATOM 1322 CB ARG A 85 5.104 -6.623 -0.645 1.00 0.56 C ATOM 1323 CG ARG A 85 4.981 -6.759 0.864 1.00 0.88 C ATOM 1324 CD ARG A 85 6.158 -6.114 1.575 1.00 0.72 C ATOM 1325 NE ARG A 85 7.435 -6.655 1.120 1.00 1.07 N ATOM 1326 CZ ARG A 85 8.455 -6.920 1.929 1.00 1.14 C ATOM 1327 NH1 ARG A 85 8.349 -6.696 3.233 1.00 1.31 N ATOM 1328 NH2 ARG A 85 9.583 -7.411 1.435 1.00 1.75 N ATOM 0 H ARG A 85 2.720 -5.820 -0.700 1.00 0.39 H new ATOM 0 HA ARG A 85 4.319 -7.415 -2.474 1.00 0.43 H new ATOM 0 HB2 ARG A 85 6.067 -7.029 -0.956 1.00 0.56 H new ATOM 0 HB3 ARG A 85 5.106 -5.564 -0.903 1.00 0.56 H new ATOM 0 HG2 ARG A 85 4.053 -6.295 1.198 1.00 0.88 H new ATOM 0 HG3 ARG A 85 4.925 -7.814 1.133 1.00 0.88 H new ATOM 0 HD2 ARG A 85 6.139 -5.038 1.404 1.00 0.72 H new ATOM 0 HD3 ARG A 85 6.061 -6.268 2.650 1.00 0.72 H new ATOM 0 HE ARG A 85 7.551 -6.840 0.124 1.00 1.07 H new ATOM 0 HH11 ARG A 85 7.482 -6.319 3.617 1.00 1.31 H new ATOM 0 HH12 ARG A 85 9.134 -6.901 3.851 1.00 1.31 H new ATOM 0 HH21 ARG A 85 9.668 -7.585 0.434 1.00 1.75 H new ATOM 0 HH22 ARG A 85 10.366 -7.614 2.056 1.00 1.75 H new ATOM 1342 N GLU A 86 3.037 -8.790 0.250 1.00 0.38 N ATOM 1343 CA GLU A 86 2.739 -10.063 0.900 1.00 0.36 C ATOM 1344 C GLU A 86 1.731 -10.875 0.096 1.00 0.31 C ATOM 1345 O GLU A 86 1.961 -12.047 -0.197 1.00 0.44 O ATOM 1346 CB GLU A 86 2.200 -9.823 2.312 1.00 0.41 C ATOM 1347 CG GLU A 86 3.169 -9.080 3.217 1.00 1.13 C ATOM 1348 CD GLU A 86 2.619 -8.876 4.614 1.00 1.53 C ATOM 1349 OE1 GLU A 86 1.891 -7.882 4.827 1.00 1.89 O ATOM 1350 OE2 GLU A 86 2.916 -9.707 5.498 1.00 1.91 O ATOM 0 H GLU A 86 2.658 -7.974 0.730 1.00 0.38 H new ATOM 0 HA GLU A 86 3.667 -10.631 0.957 1.00 0.36 H new ATOM 0 HB2 GLU A 86 1.271 -9.256 2.246 1.00 0.41 H new ATOM 0 HB3 GLU A 86 1.956 -10.783 2.766 1.00 0.41 H new ATOM 0 HG2 GLU A 86 4.105 -9.636 3.276 1.00 1.13 H new ATOM 0 HG3 GLU A 86 3.402 -8.110 2.777 1.00 1.13 H new ATOM 1357 N GLU A 87 0.613 -10.248 -0.255 1.00 0.18 N ATOM 1358 CA GLU A 87 -0.429 -10.921 -1.022 1.00 0.15 C ATOM 1359 C GLU A 87 0.144 -11.556 -2.283 1.00 0.14 C ATOM 1360 O GLU A 87 -0.224 -12.673 -2.644 1.00 0.14 O ATOM 1361 CB GLU A 87 -1.543 -9.940 -1.391 1.00 0.18 C ATOM 1362 CG GLU A 87 -2.321 -9.419 -0.194 1.00 0.24 C ATOM 1363 CD GLU A 87 -2.950 -10.532 0.622 1.00 0.86 C ATOM 1364 OE1 GLU A 87 -4.089 -10.932 0.302 1.00 1.83 O ATOM 1365 OE2 GLU A 87 -2.305 -11.001 1.583 1.00 1.06 O ATOM 0 H GLU A 87 0.406 -9.277 -0.021 1.00 0.18 H new ATOM 0 HA GLU A 87 -0.846 -11.711 -0.397 1.00 0.15 H new ATOM 0 HB2 GLU A 87 -1.109 -9.096 -1.926 1.00 0.18 H new ATOM 0 HB3 GLU A 87 -2.234 -10.430 -2.077 1.00 0.18 H new ATOM 0 HG2 GLU A 87 -1.654 -8.839 0.443 1.00 0.24 H new ATOM 0 HG3 GLU A 87 -3.102 -8.741 -0.540 1.00 0.24 H new ATOM 1372 N ALA A 88 1.049 -10.843 -2.949 1.00 0.18 N ATOM 1373 CA ALA A 88 1.666 -11.351 -4.166 1.00 0.17 C ATOM 1374 C ALA A 88 2.334 -12.695 -3.919 1.00 0.17 C ATOM 1375 O ALA A 88 2.237 -13.607 -4.740 1.00 0.18 O ATOM 1376 CB ALA A 88 2.673 -10.357 -4.716 1.00 0.19 C ATOM 0 H ALA A 88 1.369 -9.917 -2.666 1.00 0.18 H new ATOM 0 HA ALA A 88 0.877 -11.491 -4.905 1.00 0.17 H new ATOM 0 HB1 ALA A 88 3.121 -10.758 -5.625 1.00 0.19 H new ATOM 0 HB2 ALA A 88 2.170 -9.417 -4.944 1.00 0.19 H new ATOM 0 HB3 ALA A 88 3.452 -10.181 -3.975 1.00 0.19 H new ATOM 1382 N ILE A 89 3.016 -12.815 -2.781 1.00 0.20 N ATOM 1383 CA ILE A 89 3.689 -14.058 -2.432 1.00 0.23 C ATOM 1384 C ILE A 89 2.693 -15.216 -2.433 1.00 0.24 C ATOM 1385 O ILE A 89 3.025 -16.338 -2.821 1.00 0.31 O ATOM 1386 CB ILE A 89 4.393 -13.956 -1.052 1.00 0.28 C ATOM 1387 CG1 ILE A 89 5.790 -14.583 -1.115 1.00 0.74 C ATOM 1388 CG2 ILE A 89 3.564 -14.608 0.051 1.00 0.60 C ATOM 1389 CD1 ILE A 89 5.788 -16.061 -1.448 1.00 1.52 C ATOM 0 H ILE A 89 3.115 -12.070 -2.091 1.00 0.20 H new ATOM 0 HA ILE A 89 4.455 -14.245 -3.184 1.00 0.23 H new ATOM 0 HB ILE A 89 4.493 -12.898 -0.809 1.00 0.28 H new ATOM 0 HG12 ILE A 89 6.381 -14.054 -1.862 1.00 0.74 H new ATOM 0 HG13 ILE A 89 6.286 -14.438 -0.155 1.00 0.74 H new ATOM 0 HG21 ILE A 89 4.088 -14.517 1.002 1.00 0.60 H new ATOM 0 HG22 ILE A 89 2.596 -14.111 0.121 1.00 0.60 H new ATOM 0 HG23 ILE A 89 3.414 -15.662 -0.181 1.00 0.60 H new ATOM 0 HD11 ILE A 89 6.813 -16.430 -1.474 1.00 1.52 H new ATOM 0 HD12 ILE A 89 5.226 -16.604 -0.688 1.00 1.52 H new ATOM 0 HD13 ILE A 89 5.323 -16.214 -2.422 1.00 1.52 H new ATOM 1401 N LYS A 90 1.470 -14.931 -1.995 1.00 0.24 N ATOM 1402 CA LYS A 90 0.416 -15.936 -1.949 1.00 0.29 C ATOM 1403 C LYS A 90 -0.326 -16.004 -3.282 1.00 0.30 C ATOM 1404 O LYS A 90 -1.002 -16.988 -3.580 1.00 0.43 O ATOM 1405 CB LYS A 90 -0.567 -15.626 -0.818 1.00 0.35 C ATOM 1406 CG LYS A 90 0.069 -15.631 0.565 1.00 0.33 C ATOM 1407 CD LYS A 90 0.535 -17.024 0.966 1.00 0.66 C ATOM 1408 CE LYS A 90 -0.637 -17.970 1.172 1.00 1.74 C ATOM 1409 NZ LYS A 90 -0.185 -19.353 1.493 1.00 2.42 N ATOM 0 H LYS A 90 1.185 -14.008 -1.666 1.00 0.24 H new ATOM 0 HA LYS A 90 0.879 -16.905 -1.760 1.00 0.29 H new ATOM 0 HB2 LYS A 90 -1.017 -14.650 -0.997 1.00 0.35 H new ATOM 0 HB3 LYS A 90 -1.374 -16.358 -0.839 1.00 0.35 H new ATOM 0 HG2 LYS A 90 0.917 -14.946 0.578 1.00 0.33 H new ATOM 0 HG3 LYS A 90 -0.650 -15.263 1.297 1.00 0.33 H new ATOM 0 HD2 LYS A 90 1.194 -17.423 0.195 1.00 0.66 H new ATOM 0 HD3 LYS A 90 1.119 -16.962 1.884 1.00 0.66 H new ATOM 0 HE2 LYS A 90 -1.267 -17.597 1.980 1.00 1.74 H new ATOM 0 HE3 LYS A 90 -1.251 -17.989 0.272 1.00 1.74 H new ATOM 0 HZ1 LYS A 90 -1.014 -19.967 1.626 1.00 2.42 H new ATOM 0 HZ2 LYS A 90 0.395 -19.719 0.711 1.00 2.42 H new ATOM 0 HZ3 LYS A 90 0.380 -19.340 2.366 1.00 2.42 H new ATOM 1423 N PHE A 91 -0.191 -14.946 -4.078 1.00 0.18 N ATOM 1424 CA PHE A 91 -0.846 -14.867 -5.378 1.00 0.19 C ATOM 1425 C PHE A 91 0.089 -15.288 -6.510 1.00 0.20 C ATOM 1426 O PHE A 91 -0.231 -15.117 -7.688 1.00 0.26 O ATOM 1427 CB PHE A 91 -1.388 -13.461 -5.610 1.00 0.21 C ATOM 1428 CG PHE A 91 -2.811 -13.315 -5.150 1.00 0.26 C ATOM 1429 CD1 PHE A 91 -3.092 -12.962 -3.842 1.00 0.73 C ATOM 1430 CD2 PHE A 91 -3.866 -13.522 -6.025 1.00 0.83 C ATOM 1431 CE1 PHE A 91 -4.396 -12.817 -3.412 1.00 0.74 C ATOM 1432 CE2 PHE A 91 -5.172 -13.379 -5.602 1.00 0.90 C ATOM 1433 CZ PHE A 91 -5.447 -13.067 -4.307 1.00 0.43 C ATOM 0 H PHE A 91 0.370 -14.128 -3.842 1.00 0.18 H new ATOM 0 HA PHE A 91 -1.681 -15.568 -5.376 1.00 0.19 H new ATOM 0 HB2 PHE A 91 -0.762 -12.741 -5.082 1.00 0.21 H new ATOM 0 HB3 PHE A 91 -1.325 -13.220 -6.671 1.00 0.21 H new ATOM 0 HD1 PHE A 91 -2.281 -12.798 -3.148 1.00 0.73 H new ATOM 0 HD2 PHE A 91 -3.664 -13.798 -7.049 1.00 0.83 H new ATOM 0 HE1 PHE A 91 -4.605 -12.514 -2.397 1.00 0.74 H new ATOM 0 HE2 PHE A 91 -5.981 -13.516 -6.304 1.00 0.90 H new ATOM 0 HZ PHE A 91 -6.471 -13.012 -3.969 1.00 0.43 H new ATOM 1443 N SER A 92 1.243 -15.838 -6.142 1.00 0.20 N ATOM 1444 CA SER A 92 2.229 -16.310 -7.117 1.00 0.23 C ATOM 1445 C SER A 92 2.655 -15.209 -8.089 1.00 0.27 C ATOM 1446 O SER A 92 3.081 -15.496 -9.209 1.00 0.61 O ATOM 1447 CB SER A 92 1.671 -17.500 -7.897 1.00 0.24 C ATOM 1448 OG SER A 92 1.413 -18.597 -7.038 1.00 0.25 O ATOM 0 H SER A 92 1.522 -15.969 -5.170 1.00 0.20 H new ATOM 0 HA SER A 92 3.113 -16.617 -6.558 1.00 0.23 H new ATOM 0 HB2 SER A 92 0.752 -17.207 -8.404 1.00 0.24 H new ATOM 0 HB3 SER A 92 2.380 -17.798 -8.669 1.00 0.24 H new ATOM 0 HG SER A 92 1.055 -19.345 -7.561 1.00 0.25 H new ATOM 1454 N GLU A 93 2.552 -13.957 -7.661 1.00 0.20 N ATOM 1455 CA GLU A 93 2.946 -12.833 -8.507 1.00 0.18 C ATOM 1456 C GLU A 93 4.276 -12.248 -8.044 1.00 0.18 C ATOM 1457 O GLU A 93 4.319 -11.408 -7.145 1.00 0.19 O ATOM 1458 CB GLU A 93 1.862 -11.753 -8.502 1.00 0.19 C ATOM 1459 CG GLU A 93 0.626 -12.133 -9.304 1.00 0.27 C ATOM 1460 CD GLU A 93 0.932 -12.355 -10.774 1.00 0.74 C ATOM 1461 OE1 GLU A 93 0.958 -11.361 -11.531 1.00 1.46 O ATOM 1462 OE2 GLU A 93 1.144 -13.521 -11.166 1.00 0.96 O ATOM 0 H GLU A 93 2.202 -13.693 -6.740 1.00 0.20 H new ATOM 0 HA GLU A 93 3.068 -13.201 -9.526 1.00 0.18 H new ATOM 0 HB2 GLU A 93 1.569 -11.548 -7.472 1.00 0.19 H new ATOM 0 HB3 GLU A 93 2.278 -10.830 -8.905 1.00 0.19 H new ATOM 0 HG2 GLU A 93 0.190 -13.041 -8.886 1.00 0.27 H new ATOM 0 HG3 GLU A 93 -0.122 -11.346 -9.207 1.00 0.27 H new ATOM 1469 N GLU A 94 5.362 -12.702 -8.663 1.00 0.21 N ATOM 1470 CA GLU A 94 6.698 -12.234 -8.309 1.00 0.24 C ATOM 1471 C GLU A 94 7.066 -10.946 -9.042 1.00 0.25 C ATOM 1472 O GLU A 94 7.437 -9.952 -8.415 1.00 0.31 O ATOM 1473 CB GLU A 94 7.729 -13.324 -8.613 1.00 0.28 C ATOM 1474 CG GLU A 94 7.610 -13.906 -10.013 1.00 0.33 C ATOM 1475 CD GLU A 94 8.586 -15.038 -10.261 1.00 0.92 C ATOM 1476 OE1 GLU A 94 8.293 -16.177 -9.840 1.00 1.46 O ATOM 1477 OE2 GLU A 94 9.645 -14.787 -10.874 1.00 1.53 O ATOM 0 H GLU A 94 5.343 -13.394 -9.412 1.00 0.21 H new ATOM 0 HA GLU A 94 6.699 -12.015 -7.241 1.00 0.24 H new ATOM 0 HB2 GLU A 94 8.730 -12.911 -8.485 1.00 0.28 H new ATOM 0 HB3 GLU A 94 7.620 -14.128 -7.885 1.00 0.28 H new ATOM 0 HG2 GLU A 94 6.593 -14.268 -10.166 1.00 0.33 H new ATOM 0 HG3 GLU A 94 7.781 -13.117 -10.746 1.00 0.33 H new ATOM 1484 N GLN A 95 6.954 -10.964 -10.368 1.00 0.25 N ATOM 1485 CA GLN A 95 7.290 -9.799 -11.183 1.00 0.28 C ATOM 1486 C GLN A 95 6.482 -8.580 -10.762 1.00 0.23 C ATOM 1487 O GLN A 95 6.921 -7.445 -10.934 1.00 0.20 O ATOM 1488 CB GLN A 95 7.052 -10.096 -12.665 1.00 0.33 C ATOM 1489 CG GLN A 95 5.615 -10.467 -12.989 1.00 0.73 C ATOM 1490 CD GLN A 95 5.391 -10.695 -14.473 1.00 0.78 C ATOM 1491 OE1 GLN A 95 6.297 -11.120 -15.190 1.00 1.54 O ATOM 1492 NE2 GLN A 95 4.180 -10.415 -14.939 1.00 1.03 N ATOM 0 H GLN A 95 6.633 -11.772 -10.901 1.00 0.25 H new ATOM 0 HA GLN A 95 8.346 -9.579 -11.028 1.00 0.28 H new ATOM 0 HB2 GLN A 95 7.334 -9.222 -13.252 1.00 0.33 H new ATOM 0 HB3 GLN A 95 7.707 -10.911 -12.973 1.00 0.33 H new ATOM 0 HG2 GLN A 95 5.345 -11.370 -12.442 1.00 0.73 H new ATOM 0 HG3 GLN A 95 4.952 -9.674 -12.643 1.00 0.73 H new ATOM 0 HE21 GLN A 95 3.459 -10.065 -14.308 1.00 1.03 H new ATOM 0 HE22 GLN A 95 3.970 -10.550 -15.928 1.00 1.03 H new ATOM 1501 N ARG A 96 5.304 -8.825 -10.211 1.00 0.25 N ATOM 1502 CA ARG A 96 4.429 -7.755 -9.757 1.00 0.22 C ATOM 1503 C ARG A 96 5.120 -6.860 -8.742 1.00 0.20 C ATOM 1504 O ARG A 96 5.190 -5.646 -8.921 1.00 0.26 O ATOM 1505 CB ARG A 96 3.164 -8.347 -9.144 1.00 0.25 C ATOM 1506 CG ARG A 96 2.423 -7.399 -8.223 1.00 0.95 C ATOM 1507 CD ARG A 96 1.210 -6.793 -8.894 1.00 0.63 C ATOM 1508 NE ARG A 96 0.464 -7.778 -9.673 1.00 1.42 N ATOM 1509 CZ ARG A 96 0.485 -7.839 -11.003 1.00 2.22 C ATOM 1510 NH1 ARG A 96 1.204 -6.970 -11.699 1.00 2.57 N ATOM 1511 NH2 ARG A 96 -0.216 -8.771 -11.634 1.00 2.99 N ATOM 0 H ARG A 96 4.929 -9.763 -10.066 1.00 0.25 H new ATOM 0 HA ARG A 96 4.170 -7.145 -10.622 1.00 0.22 H new ATOM 0 HB2 ARG A 96 2.494 -8.655 -9.946 1.00 0.25 H new ATOM 0 HB3 ARG A 96 3.429 -9.246 -8.587 1.00 0.25 H new ATOM 0 HG2 ARG A 96 2.112 -7.934 -7.326 1.00 0.95 H new ATOM 0 HG3 ARG A 96 3.096 -6.604 -7.903 1.00 0.95 H new ATOM 0 HD2 ARG A 96 0.556 -6.359 -8.137 1.00 0.63 H new ATOM 0 HD3 ARG A 96 1.526 -5.979 -9.547 1.00 0.63 H new ATOM 0 HE ARG A 96 -0.106 -8.458 -9.169 1.00 1.42 H new ATOM 0 HH11 ARG A 96 1.744 -6.252 -11.216 1.00 2.57 H new ATOM 0 HH12 ARG A 96 1.218 -7.020 -12.718 1.00 2.57 H new ATOM 0 HH21 ARG A 96 -0.771 -9.440 -11.101 1.00 2.99 H new ATOM 0 HH22 ARG A 96 -0.201 -8.818 -12.653 1.00 2.99 H new ATOM 1525 N PHE A 97 5.624 -7.461 -7.676 1.00 0.27 N ATOM 1526 CA PHE A 97 6.274 -6.698 -6.627 1.00 0.31 C ATOM 1527 C PHE A 97 7.480 -5.923 -7.152 1.00 0.25 C ATOM 1528 O PHE A 97 7.598 -4.727 -6.900 1.00 0.22 O ATOM 1529 CB PHE A 97 6.680 -7.613 -5.463 1.00 0.45 C ATOM 1530 CG PHE A 97 7.140 -6.882 -4.223 1.00 0.48 C ATOM 1531 CD1 PHE A 97 6.755 -5.570 -4.002 1.00 1.29 C ATOM 1532 CD2 PHE A 97 7.955 -7.500 -3.286 1.00 0.94 C ATOM 1533 CE1 PHE A 97 7.170 -4.890 -2.871 1.00 1.39 C ATOM 1534 CE2 PHE A 97 8.374 -6.825 -2.155 1.00 0.92 C ATOM 1535 CZ PHE A 97 7.994 -5.550 -1.934 1.00 0.67 C ATOM 0 H PHE A 97 5.595 -8.468 -7.516 1.00 0.27 H new ATOM 0 HA PHE A 97 5.553 -5.968 -6.260 1.00 0.31 H new ATOM 0 HB2 PHE A 97 5.832 -8.247 -5.203 1.00 0.45 H new ATOM 0 HB3 PHE A 97 7.480 -8.273 -5.798 1.00 0.45 H new ATOM 0 HD1 PHE A 97 6.123 -5.071 -4.722 1.00 1.29 H new ATOM 0 HD2 PHE A 97 8.266 -8.522 -3.442 1.00 0.94 H new ATOM 0 HE1 PHE A 97 6.867 -3.866 -2.707 1.00 1.39 H new ATOM 0 HE2 PHE A 97 9.012 -7.324 -1.441 1.00 0.92 H new ATOM 0 HZ PHE A 97 8.319 -5.035 -1.042 1.00 0.67 H new ATOM 1545 N ASN A 98 8.372 -6.589 -7.888 1.00 0.28 N ATOM 1546 CA ASN A 98 9.552 -5.906 -8.417 1.00 0.26 C ATOM 1547 C ASN A 98 9.161 -4.863 -9.449 1.00 0.21 C ATOM 1548 O ASN A 98 9.873 -3.881 -9.645 1.00 0.21 O ATOM 1549 CB ASN A 98 10.548 -6.892 -9.029 1.00 0.34 C ATOM 1550 CG ASN A 98 9.884 -7.949 -9.885 1.00 0.43 C ATOM 1551 OD1 ASN A 98 9.599 -9.049 -9.415 1.00 1.03 O ATOM 1552 ND2 ASN A 98 9.639 -7.621 -11.148 1.00 1.22 N ATOM 0 H ASN A 98 8.303 -7.578 -8.127 1.00 0.28 H new ATOM 0 HA ASN A 98 10.036 -5.409 -7.576 1.00 0.26 H new ATOM 0 HB2 ASN A 98 11.269 -6.343 -9.634 1.00 0.34 H new ATOM 0 HB3 ASN A 98 11.107 -7.378 -8.230 1.00 0.34 H new ATOM 0 HD21 ASN A 98 9.196 -8.294 -11.773 1.00 1.22 H new ATOM 0 HD22 ASN A 98 9.894 -6.696 -11.493 1.00 1.22 H new ATOM 1559 N ASN A 99 8.023 -5.061 -10.101 1.00 0.18 N ATOM 1560 CA ASN A 99 7.579 -4.115 -11.109 1.00 0.20 C ATOM 1561 C ASN A 99 7.073 -2.839 -10.462 1.00 0.19 C ATOM 1562 O ASN A 99 7.484 -1.740 -10.832 1.00 0.24 O ATOM 1563 CB ASN A 99 6.481 -4.729 -11.980 1.00 0.22 C ATOM 1564 CG ASN A 99 6.159 -3.882 -13.199 1.00 0.63 C ATOM 1565 OD1 ASN A 99 7.165 -3.191 -13.723 1.00 1.41 O flip ATOM 1566 ND2 ASN A 99 5.020 -3.855 -13.664 1.00 1.14 N flip ATOM 0 H ASN A 99 7.401 -5.856 -9.952 1.00 0.18 H new ATOM 0 HA ASN A 99 8.433 -3.872 -11.741 1.00 0.20 H new ATOM 0 HB2 ASN A 99 6.793 -5.722 -12.304 1.00 0.22 H new ATOM 0 HB3 ASN A 99 5.578 -4.857 -11.383 1.00 0.22 H new ATOM 0 HD21 ASN A 99 4.278 -4.403 -13.228 1.00 1.14 H new ATOM 0 HD22 ASN A 99 4.818 -3.285 -14.485 1.00 1.14 H new ATOM 1573 N PHE A 100 6.200 -2.989 -9.478 1.00 0.18 N ATOM 1574 CA PHE A 100 5.631 -1.841 -8.802 1.00 0.23 C ATOM 1575 C PHE A 100 6.591 -1.250 -7.818 1.00 0.18 C ATOM 1576 O PHE A 100 6.437 -0.103 -7.406 1.00 0.21 O ATOM 1577 CB PHE A 100 4.322 -2.223 -8.132 1.00 0.38 C ATOM 1578 CG PHE A 100 3.227 -2.371 -9.131 1.00 1.36 C ATOM 1579 CD1 PHE A 100 3.073 -1.477 -10.173 1.00 1.99 C ATOM 1580 CD2 PHE A 100 2.335 -3.415 -9.008 1.00 2.09 C ATOM 1581 CE1 PHE A 100 2.044 -1.633 -11.077 1.00 2.95 C ATOM 1582 CE2 PHE A 100 1.312 -3.576 -9.894 1.00 3.08 C ATOM 1583 CZ PHE A 100 1.231 -2.608 -11.032 1.00 3.43 C ATOM 0 H PHE A 100 5.873 -3.892 -9.133 1.00 0.18 H new ATOM 0 HA PHE A 100 5.427 -1.074 -9.549 1.00 0.23 H new ATOM 0 HB2 PHE A 100 4.449 -3.158 -7.587 1.00 0.38 H new ATOM 0 HB3 PHE A 100 4.050 -1.462 -7.400 1.00 0.38 H new ATOM 0 HD1 PHE A 100 3.762 -0.652 -10.280 1.00 1.99 H new ATOM 0 HD2 PHE A 100 2.449 -4.117 -8.196 1.00 2.09 H new ATOM 0 HE1 PHE A 100 1.924 -0.895 -11.856 1.00 2.95 H new ATOM 0 HE2 PHE A 100 0.589 -4.370 -9.779 1.00 3.08 H new ATOM 0 HZ PHE A 100 0.490 -2.737 -11.807 1.00 3.43 H new ATOM 1593 N LEU A 101 7.590 -2.017 -7.446 1.00 0.18 N ATOM 1594 CA LEU A 101 8.572 -1.520 -6.524 1.00 0.21 C ATOM 1595 C LEU A 101 9.595 -0.699 -7.288 1.00 0.20 C ATOM 1596 O LEU A 101 9.975 0.395 -6.863 1.00 0.21 O ATOM 1597 CB LEU A 101 9.237 -2.676 -5.765 1.00 0.28 C ATOM 1598 CG LEU A 101 10.268 -2.307 -4.684 1.00 0.35 C ATOM 1599 CD1 LEU A 101 9.954 -0.965 -4.033 1.00 0.92 C ATOM 1600 CD2 LEU A 101 10.306 -3.405 -3.635 1.00 0.92 C ATOM 0 H LEU A 101 7.739 -2.974 -7.765 1.00 0.18 H new ATOM 0 HA LEU A 101 8.090 -0.883 -5.782 1.00 0.21 H new ATOM 0 HB2 LEU A 101 8.451 -3.267 -5.295 1.00 0.28 H new ATOM 0 HB3 LEU A 101 9.728 -3.321 -6.494 1.00 0.28 H new ATOM 0 HG LEU A 101 11.244 -2.213 -5.160 1.00 0.35 H new ATOM 0 HD11 LEU A 101 10.706 -0.743 -3.276 1.00 0.92 H new ATOM 0 HD12 LEU A 101 9.960 -0.182 -4.792 1.00 0.92 H new ATOM 0 HD13 LEU A 101 8.970 -1.009 -3.565 1.00 0.92 H new ATOM 0 HD21 LEU A 101 11.035 -3.149 -2.866 1.00 0.92 H new ATOM 0 HD22 LEU A 101 9.321 -3.508 -3.181 1.00 0.92 H new ATOM 0 HD23 LEU A 101 10.590 -4.347 -4.104 1.00 0.92 H new ATOM 1612 N LYS A 102 10.016 -1.214 -8.444 1.00 0.20 N ATOM 1613 CA LYS A 102 10.983 -0.503 -9.255 1.00 0.23 C ATOM 1614 C LYS A 102 10.295 0.645 -9.952 1.00 0.22 C ATOM 1615 O LYS A 102 10.932 1.622 -10.341 1.00 0.26 O ATOM 1616 CB LYS A 102 11.647 -1.431 -10.287 1.00 0.27 C ATOM 1617 CG LYS A 102 12.516 -2.545 -9.703 1.00 0.28 C ATOM 1618 CD LYS A 102 13.243 -2.124 -8.436 1.00 0.33 C ATOM 1619 CE LYS A 102 12.447 -2.499 -7.211 1.00 1.44 C ATOM 1620 NZ LYS A 102 12.227 -3.968 -7.113 1.00 2.40 N ATOM 0 H LYS A 102 9.704 -2.106 -8.828 1.00 0.20 H new ATOM 0 HA LYS A 102 11.770 -0.124 -8.603 1.00 0.23 H new ATOM 0 HB2 LYS A 102 10.867 -1.885 -10.898 1.00 0.27 H new ATOM 0 HB3 LYS A 102 12.261 -0.825 -10.953 1.00 0.27 H new ATOM 0 HG2 LYS A 102 11.891 -3.411 -9.487 1.00 0.28 H new ATOM 0 HG3 LYS A 102 13.247 -2.858 -10.449 1.00 0.28 H new ATOM 0 HD2 LYS A 102 14.223 -2.600 -8.398 1.00 0.33 H new ATOM 0 HD3 LYS A 102 13.412 -1.047 -8.449 1.00 0.33 H new ATOM 0 HE2 LYS A 102 12.969 -2.151 -6.320 1.00 1.44 H new ATOM 0 HE3 LYS A 102 11.484 -1.990 -7.235 1.00 1.44 H new ATOM 0 HZ1 LYS A 102 11.828 -4.198 -6.181 1.00 2.40 H new ATOM 0 HZ2 LYS A 102 11.566 -4.270 -7.857 1.00 2.40 H new ATOM 0 HZ3 LYS A 102 13.133 -4.464 -7.233 1.00 2.40 H new ATOM 1634 N ALA A 103 8.981 0.524 -10.103 1.00 0.19 N ATOM 1635 CA ALA A 103 8.217 1.568 -10.745 1.00 0.21 C ATOM 1636 C ALA A 103 7.906 2.695 -9.771 1.00 0.18 C ATOM 1637 O ALA A 103 8.077 3.870 -10.094 1.00 0.20 O ATOM 1638 CB ALA A 103 6.941 1.019 -11.361 1.00 0.24 C ATOM 0 H ALA A 103 8.435 -0.279 -9.791 1.00 0.19 H new ATOM 0 HA ALA A 103 8.828 1.975 -11.551 1.00 0.21 H new ATOM 0 HB1 ALA A 103 6.388 1.829 -11.836 1.00 0.24 H new ATOM 0 HB2 ALA A 103 7.192 0.265 -12.107 1.00 0.24 H new ATOM 0 HB3 ALA A 103 6.326 0.568 -10.582 1.00 0.24 H new ATOM 1644 N LEU A 104 7.440 2.341 -8.577 1.00 0.16 N ATOM 1645 CA LEU A 104 7.134 3.350 -7.578 1.00 0.16 C ATOM 1646 C LEU A 104 8.409 4.094 -7.209 1.00 0.16 C ATOM 1647 O LEU A 104 8.398 5.314 -7.035 1.00 0.16 O ATOM 1648 CB LEU A 104 6.464 2.727 -6.338 1.00 0.19 C ATOM 1649 CG LEU A 104 7.353 1.862 -5.431 1.00 0.19 C ATOM 1650 CD1 LEU A 104 8.164 2.723 -4.485 1.00 0.23 C ATOM 1651 CD2 LEU A 104 6.502 0.875 -4.644 1.00 0.24 C ATOM 0 H LEU A 104 7.269 1.379 -8.284 1.00 0.16 H new ATOM 0 HA LEU A 104 6.420 4.060 -7.996 1.00 0.16 H new ATOM 0 HB2 LEU A 104 6.047 3.534 -5.735 1.00 0.19 H new ATOM 0 HB3 LEU A 104 5.627 2.116 -6.675 1.00 0.19 H new ATOM 0 HG LEU A 104 8.045 1.307 -6.064 1.00 0.19 H new ATOM 0 HD11 LEU A 104 8.784 2.086 -3.854 1.00 0.23 H new ATOM 0 HD12 LEU A 104 8.801 3.395 -5.060 1.00 0.23 H new ATOM 0 HD13 LEU A 104 7.491 3.309 -3.859 1.00 0.23 H new ATOM 0 HD21 LEU A 104 7.145 0.269 -4.006 1.00 0.24 H new ATOM 0 HD22 LEU A 104 5.789 1.421 -4.027 1.00 0.24 H new ATOM 0 HD23 LEU A 104 5.963 0.228 -5.335 1.00 0.24 H new ATOM 1663 N GLN A 105 9.520 3.361 -7.117 1.00 0.18 N ATOM 1664 CA GLN A 105 10.797 3.972 -6.787 1.00 0.22 C ATOM 1665 C GLN A 105 11.294 4.836 -7.937 1.00 0.24 C ATOM 1666 O GLN A 105 11.584 6.022 -7.745 1.00 0.26 O ATOM 1667 CB GLN A 105 11.812 2.899 -6.395 1.00 0.27 C ATOM 1668 CG GLN A 105 13.255 3.203 -6.773 1.00 0.35 C ATOM 1669 CD GLN A 105 13.894 4.251 -5.885 1.00 1.13 C ATOM 1670 OE1 GLN A 105 13.831 5.506 -6.307 1.00 1.76 O flip ATOM 1671 NE2 GLN A 105 14.451 3.934 -4.837 1.00 1.92 N flip ATOM 0 H GLN A 105 9.556 2.353 -7.266 1.00 0.18 H new ATOM 0 HA GLN A 105 10.664 4.629 -5.927 1.00 0.22 H new ATOM 0 HB2 GLN A 105 11.760 2.749 -5.317 1.00 0.27 H new ATOM 0 HB3 GLN A 105 11.521 1.958 -6.863 1.00 0.27 H new ATOM 0 HG2 GLN A 105 13.840 2.285 -6.719 1.00 0.35 H new ATOM 0 HG3 GLN A 105 13.289 3.543 -7.808 1.00 0.35 H new ATOM 0 HE21 GLN A 105 14.477 2.956 -4.549 1.00 1.92 H new ATOM 0 HE22 GLN A 105 14.888 4.649 -4.255 1.00 1.92 H new ATOM 1680 N GLU A 106 11.388 4.257 -9.134 1.00 0.25 N ATOM 1681 CA GLU A 106 11.825 5.033 -10.283 1.00 0.29 C ATOM 1682 C GLU A 106 10.990 6.301 -10.343 1.00 0.29 C ATOM 1683 O GLU A 106 11.463 7.360 -10.747 1.00 0.35 O ATOM 1684 CB GLU A 106 11.696 4.241 -11.588 1.00 0.31 C ATOM 1685 CG GLU A 106 10.269 4.096 -12.077 1.00 0.29 C ATOM 1686 CD GLU A 106 10.180 3.435 -13.438 1.00 0.33 C ATOM 1687 OE1 GLU A 106 10.333 4.144 -14.454 1.00 0.41 O ATOM 1688 OE2 GLU A 106 9.959 2.207 -13.489 1.00 0.31 O ATOM 0 H GLU A 106 11.173 3.279 -9.327 1.00 0.25 H new ATOM 0 HA GLU A 106 12.881 5.277 -10.169 1.00 0.29 H new ATOM 0 HB2 GLU A 106 12.287 4.733 -12.361 1.00 0.31 H new ATOM 0 HB3 GLU A 106 12.123 3.249 -11.444 1.00 0.31 H new ATOM 0 HG2 GLU A 106 9.700 3.510 -11.355 1.00 0.29 H new ATOM 0 HG3 GLU A 106 9.804 5.081 -12.125 1.00 0.29 H new ATOM 1695 N LYS A 107 9.741 6.181 -9.897 1.00 0.23 N ATOM 1696 CA LYS A 107 8.831 7.308 -9.874 1.00 0.23 C ATOM 1697 C LYS A 107 9.304 8.351 -8.863 1.00 0.24 C ATOM 1698 O LYS A 107 9.302 9.547 -9.154 1.00 0.30 O ATOM 1699 CB LYS A 107 7.416 6.839 -9.525 1.00 0.22 C ATOM 1700 CG LYS A 107 6.345 7.887 -9.768 1.00 0.62 C ATOM 1701 CD LYS A 107 5.002 7.456 -9.196 1.00 1.05 C ATOM 1702 CE LYS A 107 5.008 7.490 -7.677 1.00 1.11 C ATOM 1703 NZ LYS A 107 5.357 8.841 -7.154 1.00 2.14 N ATOM 0 H LYS A 107 9.342 5.310 -9.547 1.00 0.23 H new ATOM 0 HA LYS A 107 8.816 7.763 -10.864 1.00 0.23 H new ATOM 0 HB2 LYS A 107 7.182 5.951 -10.113 1.00 0.22 H new ATOM 0 HB3 LYS A 107 7.390 6.543 -8.476 1.00 0.22 H new ATOM 0 HG2 LYS A 107 6.649 8.831 -9.315 1.00 0.62 H new ATOM 0 HG3 LYS A 107 6.245 8.065 -10.839 1.00 0.62 H new ATOM 0 HD2 LYS A 107 4.217 8.112 -9.573 1.00 1.05 H new ATOM 0 HD3 LYS A 107 4.766 6.448 -9.538 1.00 1.05 H new ATOM 0 HE2 LYS A 107 4.027 7.198 -7.303 1.00 1.11 H new ATOM 0 HE3 LYS A 107 5.723 6.759 -7.300 1.00 1.11 H new ATOM 0 HZ1 LYS A 107 6.314 8.819 -6.747 1.00 2.14 H new ATOM 0 HZ2 LYS A 107 5.327 9.532 -7.930 1.00 2.14 H new ATOM 0 HZ3 LYS A 107 4.674 9.116 -6.419 1.00 2.14 H new ATOM 1717 N VAL A 108 9.707 7.897 -7.668 1.00 0.22 N ATOM 1718 CA VAL A 108 10.189 8.820 -6.641 1.00 0.26 C ATOM 1719 C VAL A 108 11.394 9.609 -7.150 1.00 0.33 C ATOM 1720 O VAL A 108 11.588 10.762 -6.773 1.00 0.40 O ATOM 1721 CB VAL A 108 10.564 8.112 -5.309 1.00 0.26 C ATOM 1722 CG1 VAL A 108 9.648 6.943 -5.027 1.00 0.22 C ATOM 1723 CG2 VAL A 108 12.024 7.678 -5.292 1.00 0.28 C ATOM 0 H VAL A 108 9.708 6.914 -7.395 1.00 0.22 H new ATOM 0 HA VAL A 108 9.360 9.495 -6.430 1.00 0.26 H new ATOM 0 HB VAL A 108 10.429 8.842 -4.511 1.00 0.26 H new ATOM 0 HG11 VAL A 108 9.939 6.471 -4.088 1.00 0.22 H new ATOM 0 HG12 VAL A 108 8.620 7.296 -4.952 1.00 0.22 H new ATOM 0 HG13 VAL A 108 9.724 6.217 -5.837 1.00 0.22 H new ATOM 0 HG21 VAL A 108 12.247 7.187 -4.345 1.00 0.28 H new ATOM 0 HG22 VAL A 108 12.207 6.984 -6.112 1.00 0.28 H new ATOM 0 HG23 VAL A 108 12.665 8.552 -5.407 1.00 0.28 H new ATOM 1733 N GLU A 109 12.208 8.983 -8.004 1.00 0.38 N ATOM 1734 CA GLU A 109 13.381 9.666 -8.560 1.00 0.48 C ATOM 1735 C GLU A 109 12.948 10.715 -9.578 1.00 0.45 C ATOM 1736 O GLU A 109 13.327 11.882 -9.479 1.00 0.45 O ATOM 1737 CB GLU A 109 14.356 8.686 -9.220 1.00 0.62 C ATOM 1738 CG GLU A 109 14.064 7.230 -8.926 1.00 1.29 C ATOM 1739 CD GLU A 109 15.183 6.309 -9.371 1.00 1.62 C ATOM 1740 OE1 GLU A 109 16.113 6.075 -8.569 1.00 1.75 O ATOM 1741 OE2 GLU A 109 15.130 5.820 -10.519 1.00 2.41 O ATOM 0 H GLU A 109 12.081 8.022 -8.322 1.00 0.38 H new ATOM 0 HA GLU A 109 13.897 10.148 -7.730 1.00 0.48 H new ATOM 0 HB2 GLU A 109 14.333 8.839 -10.299 1.00 0.62 H new ATOM 0 HB3 GLU A 109 15.368 8.917 -8.886 1.00 0.62 H new ATOM 0 HG2 GLU A 109 13.900 7.105 -7.856 1.00 1.29 H new ATOM 0 HG3 GLU A 109 13.140 6.941 -9.426 1.00 1.29 H new ATOM 1748 N ILE A 110 12.159 10.285 -10.562 1.00 0.44 N ATOM 1749 CA ILE A 110 11.663 11.185 -11.599 1.00 0.42 C ATOM 1750 C ILE A 110 11.031 12.425 -10.972 1.00 0.39 C ATOM 1751 O ILE A 110 11.269 13.550 -11.412 1.00 0.45 O ATOM 1752 CB ILE A 110 10.638 10.471 -12.509 1.00 0.42 C ATOM 1753 CG1 ILE A 110 11.350 9.697 -13.624 1.00 0.51 C ATOM 1754 CG2 ILE A 110 9.648 11.463 -13.106 1.00 0.42 C ATOM 1755 CD1 ILE A 110 12.322 8.646 -13.133 1.00 0.55 C ATOM 0 H ILE A 110 11.850 9.318 -10.662 1.00 0.44 H new ATOM 0 HA ILE A 110 12.511 11.491 -12.211 1.00 0.42 H new ATOM 0 HB ILE A 110 10.083 9.764 -11.892 1.00 0.42 H new ATOM 0 HG12 ILE A 110 10.600 9.216 -14.252 1.00 0.51 H new ATOM 0 HG13 ILE A 110 11.887 10.405 -14.255 1.00 0.51 H new ATOM 0 HG21 ILE A 110 8.939 10.932 -13.741 1.00 0.42 H new ATOM 0 HG22 ILE A 110 9.109 11.967 -12.304 1.00 0.42 H new ATOM 0 HG23 ILE A 110 10.186 12.201 -13.701 1.00 0.42 H new ATOM 0 HD11 ILE A 110 12.780 8.147 -13.987 1.00 0.55 H new ATOM 0 HD12 ILE A 110 13.097 9.120 -12.531 1.00 0.55 H new ATOM 0 HD13 ILE A 110 11.790 7.913 -12.527 1.00 0.55 H new ATOM 1767 N LYS A 111 10.222 12.203 -9.944 1.00 0.36 N ATOM 1768 CA LYS A 111 9.559 13.288 -9.234 1.00 0.37 C ATOM 1769 C LYS A 111 10.225 13.512 -7.882 1.00 0.40 C ATOM 1770 O LYS A 111 11.379 13.140 -7.676 1.00 0.48 O ATOM 1771 CB LYS A 111 8.077 12.963 -9.022 1.00 0.39 C ATOM 1772 CG LYS A 111 7.175 13.416 -10.155 1.00 0.51 C ATOM 1773 CD LYS A 111 5.796 13.796 -9.637 1.00 0.65 C ATOM 1774 CE LYS A 111 5.087 12.610 -8.997 1.00 0.67 C ATOM 1775 NZ LYS A 111 3.703 12.956 -8.567 1.00 1.28 N ATOM 0 H LYS A 111 10.008 11.274 -9.582 1.00 0.36 H new ATOM 0 HA LYS A 111 9.643 14.193 -9.835 1.00 0.37 H new ATOM 0 HB2 LYS A 111 7.967 11.886 -8.893 1.00 0.39 H new ATOM 0 HB3 LYS A 111 7.742 13.431 -8.096 1.00 0.39 H new ATOM 0 HG2 LYS A 111 7.624 14.269 -10.663 1.00 0.51 H new ATOM 0 HG3 LYS A 111 7.083 12.618 -10.892 1.00 0.51 H new ATOM 0 HD2 LYS A 111 5.890 14.600 -8.907 1.00 0.65 H new ATOM 0 HD3 LYS A 111 5.192 14.181 -10.459 1.00 0.65 H new ATOM 0 HE2 LYS A 111 5.051 11.783 -9.706 1.00 0.67 H new ATOM 0 HE3 LYS A 111 5.660 12.266 -8.136 1.00 0.67 H new ATOM 0 HZ1 LYS A 111 3.255 12.122 -8.136 1.00 1.28 H new ATOM 0 HZ2 LYS A 111 3.738 13.728 -7.871 1.00 1.28 H new ATOM 0 HZ3 LYS A 111 3.149 13.260 -9.393 1.00 1.28 H new ATOM 1789 N GLN A 112 9.491 14.135 -6.969 1.00 0.43 N ATOM 1790 CA GLN A 112 9.993 14.386 -5.629 1.00 0.56 C ATOM 1791 C GLN A 112 9.691 13.184 -4.747 1.00 0.65 C ATOM 1792 O GLN A 112 9.957 12.048 -5.139 1.00 1.51 O ATOM 1793 CB GLN A 112 9.357 15.655 -5.056 1.00 0.66 C ATOM 1794 CG GLN A 112 9.825 16.937 -5.730 1.00 0.69 C ATOM 1795 CD GLN A 112 9.358 17.050 -7.169 1.00 1.29 C ATOM 1796 OE1 GLN A 112 10.178 16.572 -8.097 1.00 2.15 O flip ATOM 1797 NE2 GLN A 112 8.273 17.565 -7.442 1.00 2.03 N flip ATOM 0 H GLN A 112 8.544 14.476 -7.135 1.00 0.43 H new ATOM 0 HA GLN A 112 11.072 14.537 -5.665 1.00 0.56 H new ATOM 0 HB2 GLN A 112 8.274 15.581 -5.150 1.00 0.66 H new ATOM 0 HB3 GLN A 112 9.581 15.713 -3.991 1.00 0.66 H new ATOM 0 HG2 GLN A 112 9.457 17.794 -5.165 1.00 0.69 H new ATOM 0 HG3 GLN A 112 10.914 16.980 -5.702 1.00 0.69 H new ATOM 0 HE21 GLN A 112 7.674 17.919 -6.696 1.00 2.03 H new ATOM 0 HE22 GLN A 112 7.973 17.637 -8.414 1.00 2.03 H new ATOM 1806 N LEU A 113 9.158 13.433 -3.556 1.00 0.37 N ATOM 1807 CA LEU A 113 8.782 12.353 -2.655 1.00 0.29 C ATOM 1808 C LEU A 113 9.987 11.585 -2.140 1.00 0.30 C ATOM 1809 O LEU A 113 9.849 10.453 -1.676 1.00 0.44 O ATOM 1810 CB LEU A 113 7.838 11.396 -3.372 1.00 0.24 C ATOM 1811 CG LEU A 113 6.482 11.982 -3.748 1.00 0.21 C ATOM 1812 CD1 LEU A 113 5.720 12.394 -2.495 1.00 0.21 C ATOM 1813 CD2 LEU A 113 6.617 13.164 -4.700 1.00 0.36 C ATOM 0 H LEU A 113 8.978 14.369 -3.194 1.00 0.37 H new ATOM 0 HA LEU A 113 8.287 12.803 -1.794 1.00 0.29 H new ATOM 0 HB2 LEU A 113 8.327 11.041 -4.279 1.00 0.24 H new ATOM 0 HB3 LEU A 113 7.676 10.526 -2.736 1.00 0.24 H new ATOM 0 HG LEU A 113 5.921 11.206 -4.269 1.00 0.21 H new ATOM 0 HD11 LEU A 113 4.753 12.811 -2.778 1.00 0.21 H new ATOM 0 HD12 LEU A 113 5.567 11.522 -1.859 1.00 0.21 H new ATOM 0 HD13 LEU A 113 6.294 13.144 -1.951 1.00 0.21 H new ATOM 0 HD21 LEU A 113 5.627 13.551 -4.942 1.00 0.36 H new ATOM 0 HD22 LEU A 113 7.207 13.948 -4.225 1.00 0.36 H new ATOM 0 HD23 LEU A 113 7.113 12.840 -5.615 1.00 0.36 H new ATOM 1825 N ASN A 114 11.164 12.189 -2.221 1.00 0.19 N ATOM 1826 CA ASN A 114 12.370 11.530 -1.746 1.00 0.18 C ATOM 1827 C ASN A 114 12.187 11.085 -0.300 1.00 0.16 C ATOM 1828 O ASN A 114 12.764 10.087 0.124 1.00 0.18 O ATOM 1829 CB ASN A 114 13.579 12.457 -1.867 1.00 0.20 C ATOM 1830 CG ASN A 114 13.803 12.943 -3.287 1.00 0.27 C ATOM 1831 OD1 ASN A 114 13.480 12.101 -4.263 1.00 1.10 O flip ATOM 1832 ND2 ASN A 114 14.267 14.063 -3.506 1.00 1.22 N flip ATOM 0 H ASN A 114 11.308 13.122 -2.606 1.00 0.19 H new ATOM 0 HA ASN A 114 12.551 10.652 -2.367 1.00 0.18 H new ATOM 0 HB2 ASN A 114 13.440 13.316 -1.211 1.00 0.20 H new ATOM 0 HB3 ASN A 114 14.470 11.933 -1.522 1.00 0.20 H new ATOM 0 HD21 ASN A 114 14.502 14.679 -2.728 1.00 1.22 H new ATOM 0 HD22 ASN A 114 14.416 14.374 -4.466 1.00 1.22 H new ATOM 1839 N HIS A 115 11.377 11.835 0.451 1.00 0.16 N ATOM 1840 CA HIS A 115 11.100 11.500 1.844 1.00 0.14 C ATOM 1841 C HIS A 115 10.527 10.092 1.927 1.00 0.13 C ATOM 1842 O HIS A 115 10.934 9.286 2.767 1.00 0.12 O ATOM 1843 CB HIS A 115 10.118 12.504 2.449 1.00 0.15 C ATOM 1844 CG HIS A 115 10.521 13.933 2.255 1.00 0.28 C ATOM 1845 ND1 HIS A 115 9.917 14.764 1.335 1.00 1.33 N ATOM 1846 CD2 HIS A 115 11.468 14.681 2.870 1.00 0.92 C ATOM 1847 CE1 HIS A 115 10.476 15.960 1.391 1.00 1.14 C ATOM 1848 NE2 HIS A 115 11.418 15.936 2.315 1.00 0.51 N ATOM 0 H HIS A 115 10.904 12.675 0.117 1.00 0.16 H new ATOM 0 HA HIS A 115 12.030 11.543 2.410 1.00 0.14 H new ATOM 0 HB2 HIS A 115 9.135 12.350 2.005 1.00 0.15 H new ATOM 0 HB3 HIS A 115 10.020 12.305 3.516 1.00 0.15 H new ATOM 0 HD2 HIS A 115 12.137 14.352 3.651 1.00 0.92 H new ATOM 0 HE1 HIS A 115 10.208 16.812 0.784 1.00 1.14 H new ATOM 0 HE2 HIS A 115 12.013 16.723 2.575 1.00 0.51 H new ATOM 1857 N PHE A 116 9.563 9.806 1.056 1.00 0.13 N ATOM 1858 CA PHE A 116 8.968 8.482 1.003 1.00 0.13 C ATOM 1859 C PHE A 116 10.093 7.464 0.857 1.00 0.12 C ATOM 1860 O PHE A 116 10.176 6.484 1.599 1.00 0.16 O ATOM 1861 CB PHE A 116 7.989 8.385 -0.170 1.00 0.15 C ATOM 1862 CG PHE A 116 7.752 6.981 -0.649 1.00 0.11 C ATOM 1863 CD1 PHE A 116 7.208 6.038 0.203 1.00 0.73 C ATOM 1864 CD2 PHE A 116 8.067 6.610 -1.946 1.00 0.73 C ATOM 1865 CE1 PHE A 116 6.981 4.748 -0.227 1.00 0.72 C ATOM 1866 CE2 PHE A 116 7.843 5.319 -2.382 1.00 0.77 C ATOM 1867 CZ PHE A 116 7.334 4.388 -1.546 1.00 0.21 C ATOM 0 H PHE A 116 9.182 10.471 0.383 1.00 0.13 H new ATOM 0 HA PHE A 116 8.406 8.283 1.916 1.00 0.13 H new ATOM 0 HB2 PHE A 116 7.036 8.823 0.127 1.00 0.15 H new ATOM 0 HB3 PHE A 116 8.370 8.982 -0.999 1.00 0.15 H new ATOM 0 HD1 PHE A 116 6.958 6.315 1.217 1.00 0.73 H new ATOM 0 HD2 PHE A 116 8.492 7.337 -2.622 1.00 0.73 H new ATOM 0 HE1 PHE A 116 6.538 4.021 0.438 1.00 0.72 H new ATOM 0 HE2 PHE A 116 8.077 5.051 -3.402 1.00 0.77 H new ATOM 0 HZ PHE A 116 7.198 3.372 -1.885 1.00 0.21 H new ATOM 1877 N TRP A 117 10.975 7.730 -0.099 1.00 0.14 N ATOM 1878 CA TRP A 117 12.119 6.873 -0.336 1.00 0.15 C ATOM 1879 C TRP A 117 12.915 6.719 0.956 1.00 0.15 C ATOM 1880 O TRP A 117 13.365 5.624 1.292 1.00 0.19 O ATOM 1881 CB TRP A 117 12.990 7.458 -1.453 1.00 0.19 C ATOM 1882 CG TRP A 117 14.402 6.953 -1.457 1.00 0.33 C ATOM 1883 CD1 TRP A 117 15.536 7.693 -1.283 1.00 0.47 C ATOM 1884 CD2 TRP A 117 14.831 5.600 -1.647 1.00 0.50 C ATOM 1885 NE1 TRP A 117 16.645 6.885 -1.356 1.00 0.60 N ATOM 1886 CE2 TRP A 117 16.237 5.595 -1.578 1.00 0.61 C ATOM 1887 CE3 TRP A 117 14.163 4.393 -1.868 1.00 0.67 C ATOM 1888 CZ2 TRP A 117 16.985 4.431 -1.724 1.00 0.80 C ATOM 1889 CZ3 TRP A 117 14.907 3.239 -2.013 1.00 0.88 C ATOM 1890 CH2 TRP A 117 16.304 3.264 -1.939 1.00 0.92 C ATOM 0 H TRP A 117 10.915 8.536 -0.722 1.00 0.14 H new ATOM 0 HA TRP A 117 11.779 5.887 -0.654 1.00 0.15 H new ATOM 0 HB2 TRP A 117 12.531 7.229 -2.415 1.00 0.19 H new ATOM 0 HB3 TRP A 117 13.004 8.544 -1.357 1.00 0.19 H new ATOM 0 HD1 TRP A 117 15.558 8.759 -1.113 1.00 0.47 H new ATOM 0 HE1 TRP A 117 17.612 7.194 -1.261 1.00 0.60 H new ATOM 0 HE3 TRP A 117 13.085 4.363 -1.924 1.00 0.67 H new ATOM 0 HZ2 TRP A 117 18.063 4.448 -1.670 1.00 0.80 H new ATOM 0 HZ3 TRP A 117 14.402 2.300 -2.187 1.00 0.88 H new ATOM 0 HH2 TRP A 117 16.856 2.343 -2.054 1.00 0.92 H new ATOM 1901 N GLU A 118 13.049 7.823 1.693 1.00 0.14 N ATOM 1902 CA GLU A 118 13.787 7.823 2.951 1.00 0.15 C ATOM 1903 C GLU A 118 13.237 6.774 3.908 1.00 0.14 C ATOM 1904 O GLU A 118 13.988 5.942 4.418 1.00 0.17 O ATOM 1905 CB GLU A 118 13.739 9.203 3.620 1.00 0.17 C ATOM 1906 CG GLU A 118 14.337 10.320 2.779 1.00 0.20 C ATOM 1907 CD GLU A 118 15.755 10.021 2.333 1.00 0.27 C ATOM 1908 OE1 GLU A 118 15.922 9.425 1.249 1.00 0.64 O ATOM 1909 OE2 GLU A 118 16.696 10.383 3.068 1.00 0.86 O ATOM 0 H GLU A 118 12.654 8.728 1.437 1.00 0.14 H new ATOM 0 HA GLU A 118 14.824 7.580 2.718 1.00 0.15 H new ATOM 0 HB2 GLU A 118 12.702 9.449 3.848 1.00 0.17 H new ATOM 0 HB3 GLU A 118 14.271 9.153 4.570 1.00 0.17 H new ATOM 0 HG2 GLU A 118 13.711 10.484 1.902 1.00 0.20 H new ATOM 0 HG3 GLU A 118 14.329 11.246 3.354 1.00 0.20 H new ATOM 1916 N ILE A 119 11.927 6.800 4.158 1.00 0.11 N ATOM 1917 CA ILE A 119 11.343 5.827 5.074 1.00 0.13 C ATOM 1918 C ILE A 119 11.511 4.408 4.550 1.00 0.14 C ATOM 1919 O ILE A 119 11.702 3.489 5.340 1.00 0.19 O ATOM 1920 CB ILE A 119 9.860 6.102 5.401 1.00 0.15 C ATOM 1921 CG1 ILE A 119 8.977 5.945 4.164 1.00 0.10 C ATOM 1922 CG2 ILE A 119 9.712 7.489 6.002 1.00 0.22 C ATOM 1923 CD1 ILE A 119 7.530 6.316 4.400 1.00 0.14 C ATOM 0 H ILE A 119 11.269 7.465 3.751 1.00 0.11 H new ATOM 0 HA ILE A 119 11.895 5.934 6.008 1.00 0.13 H new ATOM 0 HB ILE A 119 9.527 5.364 6.131 1.00 0.15 H new ATOM 0 HG12 ILE A 119 9.376 6.566 3.362 1.00 0.10 H new ATOM 0 HG13 ILE A 119 9.027 4.911 3.821 1.00 0.10 H new ATOM 0 HG21 ILE A 119 8.663 7.677 6.230 1.00 0.22 H new ATOM 0 HG22 ILE A 119 10.300 7.553 6.918 1.00 0.22 H new ATOM 0 HG23 ILE A 119 10.067 8.234 5.290 1.00 0.22 H new ATOM 0 HD11 ILE A 119 6.964 6.180 3.478 1.00 0.14 H new ATOM 0 HD12 ILE A 119 7.113 5.678 5.179 1.00 0.14 H new ATOM 0 HD13 ILE A 119 7.468 7.358 4.713 1.00 0.14 H new ATOM 1935 N VAL A 120 11.446 4.208 3.228 1.00 0.13 N ATOM 1936 CA VAL A 120 11.642 2.855 2.707 1.00 0.20 C ATOM 1937 C VAL A 120 13.077 2.387 3.009 1.00 0.21 C ATOM 1938 O VAL A 120 13.305 1.198 3.217 1.00 0.25 O ATOM 1939 CB VAL A 120 11.310 2.696 1.196 1.00 0.29 C ATOM 1940 CG1 VAL A 120 10.665 3.940 0.617 1.00 0.82 C ATOM 1941 CG2 VAL A 120 12.535 2.303 0.397 1.00 0.76 C ATOM 0 H VAL A 120 11.268 4.930 2.530 1.00 0.13 H new ATOM 0 HA VAL A 120 10.923 2.218 3.222 1.00 0.20 H new ATOM 0 HB VAL A 120 10.583 1.888 1.120 1.00 0.29 H new ATOM 0 HG11 VAL A 120 10.452 3.781 -0.440 1.00 0.82 H new ATOM 0 HG12 VAL A 120 9.736 4.148 1.147 1.00 0.82 H new ATOM 0 HG13 VAL A 120 11.343 4.786 0.727 1.00 0.82 H new ATOM 0 HG21 VAL A 120 12.266 2.201 -0.654 1.00 0.76 H new ATOM 0 HG22 VAL A 120 13.300 3.072 0.503 1.00 0.76 H new ATOM 0 HG23 VAL A 120 12.921 1.353 0.767 1.00 0.76 H new ATOM 1951 N VAL A 121 14.050 3.320 3.025 1.00 0.20 N ATOM 1952 CA VAL A 121 15.438 2.956 3.367 1.00 0.24 C ATOM 1953 C VAL A 121 15.512 2.644 4.855 1.00 0.26 C ATOM 1954 O VAL A 121 16.267 1.776 5.293 1.00 0.31 O ATOM 1955 CB VAL A 121 16.480 4.053 3.032 1.00 0.25 C ATOM 1956 CG1 VAL A 121 16.015 4.926 1.891 1.00 0.24 C ATOM 1957 CG2 VAL A 121 16.820 4.897 4.251 1.00 0.26 C ATOM 0 H VAL A 121 13.906 4.307 2.811 1.00 0.20 H new ATOM 0 HA VAL A 121 15.692 2.090 2.755 1.00 0.24 H new ATOM 0 HB VAL A 121 17.390 3.542 2.717 1.00 0.25 H new ATOM 0 HG11 VAL A 121 16.769 5.685 1.682 1.00 0.24 H new ATOM 0 HG12 VAL A 121 15.862 4.313 1.003 1.00 0.24 H new ATOM 0 HG13 VAL A 121 15.078 5.412 2.163 1.00 0.24 H new ATOM 0 HG21 VAL A 121 17.554 5.655 3.976 1.00 0.26 H new ATOM 0 HG22 VAL A 121 15.917 5.383 4.620 1.00 0.26 H new ATOM 0 HG23 VAL A 121 17.233 4.259 5.032 1.00 0.26 H new ATOM 1967 N GLN A 122 14.710 3.379 5.618 1.00 0.25 N ATOM 1968 CA GLN A 122 14.642 3.222 7.061 1.00 0.30 C ATOM 1969 C GLN A 122 13.756 2.035 7.429 1.00 0.35 C ATOM 1970 O GLN A 122 13.792 1.538 8.555 1.00 0.44 O ATOM 1971 CB GLN A 122 14.098 4.512 7.680 1.00 0.29 C ATOM 1972 CG GLN A 122 13.769 4.396 9.153 1.00 0.44 C ATOM 1973 CD GLN A 122 13.427 5.729 9.791 1.00 1.27 C ATOM 1974 OE1 GLN A 122 14.008 6.806 9.270 1.00 1.92 O flip ATOM 1975 NE2 GLN A 122 12.648 5.792 10.742 1.00 2.12 N flip ATOM 0 H GLN A 122 14.089 4.100 5.250 1.00 0.25 H new ATOM 0 HA GLN A 122 15.641 3.028 7.451 1.00 0.30 H new ATOM 0 HB2 GLN A 122 14.832 5.306 7.543 1.00 0.29 H new ATOM 0 HB3 GLN A 122 13.200 4.812 7.140 1.00 0.29 H new ATOM 0 HG2 GLN A 122 12.929 3.713 9.279 1.00 0.44 H new ATOM 0 HG3 GLN A 122 14.619 3.957 9.676 1.00 0.44 H new ATOM 0 HE21 GLN A 122 12.224 4.941 11.111 1.00 2.12 H new ATOM 0 HE22 GLN A 122 12.426 6.695 11.161 1.00 2.12 H new ATOM 1984 N ASP A 123 12.972 1.580 6.459 1.00 0.31 N ATOM 1985 CA ASP A 123 12.065 0.458 6.656 1.00 0.37 C ATOM 1986 C ASP A 123 12.510 -0.751 5.846 1.00 0.40 C ATOM 1987 O ASP A 123 11.956 -1.842 5.991 1.00 0.45 O ATOM 1988 CB ASP A 123 10.645 0.856 6.241 1.00 0.35 C ATOM 1989 CG ASP A 123 9.987 1.790 7.238 1.00 0.39 C ATOM 1990 OD1 ASP A 123 9.741 1.357 8.383 1.00 0.86 O ATOM 1991 OD2 ASP A 123 9.717 2.955 6.875 1.00 0.71 O ATOM 0 H ASP A 123 12.947 1.976 5.519 1.00 0.31 H new ATOM 0 HA ASP A 123 12.078 0.192 7.713 1.00 0.37 H new ATOM 0 HB2 ASP A 123 10.678 1.338 5.264 1.00 0.35 H new ATOM 0 HB3 ASP A 123 10.037 -0.042 6.133 1.00 0.35 H new ATOM 1996 N GLY A 124 13.518 -0.556 5.000 1.00 0.38 N ATOM 1997 CA GLY A 124 14.001 -1.641 4.167 1.00 0.43 C ATOM 1998 C GLY A 124 12.880 -2.238 3.343 1.00 0.44 C ATOM 1999 O GLY A 124 12.428 -3.350 3.613 1.00 0.55 O ATOM 0 H GLY A 124 14.007 0.331 4.877 1.00 0.38 H new ATOM 0 HA2 GLY A 124 14.786 -1.274 3.506 1.00 0.43 H new ATOM 0 HA3 GLY A 124 14.447 -2.414 4.794 1.00 0.43 H new ATOM 2003 N ILE A 125 12.448 -1.500 2.323 1.00 0.40 N ATOM 2004 CA ILE A 125 11.335 -1.928 1.482 1.00 0.44 C ATOM 2005 C ILE A 125 11.657 -1.831 -0.014 1.00 0.45 C ATOM 2006 O ILE A 125 11.034 -1.048 -0.735 1.00 0.48 O ATOM 2007 CB ILE A 125 10.104 -1.048 1.791 1.00 0.47 C ATOM 2008 CG1 ILE A 125 9.875 -0.963 3.302 1.00 0.58 C ATOM 2009 CG2 ILE A 125 8.859 -1.568 1.095 1.00 0.68 C ATOM 2010 CD1 ILE A 125 9.584 -2.298 3.952 1.00 0.49 C ATOM 0 H ILE A 125 12.853 -0.602 2.059 1.00 0.40 H new ATOM 0 HA ILE A 125 11.136 -2.976 1.707 1.00 0.44 H new ATOM 0 HB ILE A 125 10.306 -0.048 1.407 1.00 0.47 H new ATOM 0 HG12 ILE A 125 10.757 -0.526 3.770 1.00 0.58 H new ATOM 0 HG13 ILE A 125 9.043 -0.286 3.496 1.00 0.58 H new ATOM 0 HG21 ILE A 125 8.012 -0.925 1.335 1.00 0.68 H new ATOM 0 HG22 ILE A 125 9.019 -1.570 0.017 1.00 0.68 H new ATOM 0 HG23 ILE A 125 8.650 -2.583 1.433 1.00 0.68 H new ATOM 0 HD11 ILE A 125 9.433 -2.156 5.022 1.00 0.49 H new ATOM 0 HD12 ILE A 125 8.684 -2.728 3.513 1.00 0.49 H new ATOM 0 HD13 ILE A 125 10.425 -2.972 3.790 1.00 0.49 H new ATOM 2022 N THR A 126 12.636 -2.603 -0.487 1.00 0.45 N ATOM 2023 CA THR A 126 12.986 -2.563 -1.905 1.00 0.47 C ATOM 2024 C THR A 126 13.431 -3.921 -2.466 1.00 0.48 C ATOM 2025 O THR A 126 13.761 -4.842 -1.723 1.00 0.57 O ATOM 2026 CB THR A 126 14.061 -1.494 -2.185 1.00 0.49 C ATOM 2027 OG1 THR A 126 13.700 -0.273 -1.529 1.00 0.55 O ATOM 2028 CG2 THR A 126 14.208 -1.231 -3.675 1.00 0.53 C ATOM 0 H THR A 126 13.189 -3.249 0.076 1.00 0.45 H new ATOM 0 HA THR A 126 12.067 -2.294 -2.426 1.00 0.47 H new ATOM 0 HB THR A 126 15.013 -1.865 -1.805 1.00 0.49 H new ATOM 0 HG1 THR A 126 14.452 0.355 -1.569 1.00 0.55 H new ATOM 0 HG21 THR A 126 14.974 -0.472 -3.837 1.00 0.53 H new ATOM 0 HG22 THR A 126 14.497 -2.152 -4.180 1.00 0.53 H new ATOM 0 HG23 THR A 126 13.258 -0.879 -4.078 1.00 0.53 H new ATOM 2036 N LEU A 127 13.397 -4.012 -3.798 1.00 0.47 N ATOM 2037 CA LEU A 127 13.795 -5.202 -4.561 1.00 0.48 C ATOM 2038 C LEU A 127 13.242 -6.513 -3.998 1.00 0.46 C ATOM 2039 O LEU A 127 12.685 -6.566 -2.904 1.00 0.52 O ATOM 2040 CB LEU A 127 15.325 -5.271 -4.711 1.00 0.52 C ATOM 2041 CG LEU A 127 16.107 -5.954 -3.582 1.00 0.66 C ATOM 2042 CD1 LEU A 127 16.150 -7.456 -3.783 1.00 1.29 C ATOM 2043 CD2 LEU A 127 17.523 -5.416 -3.536 1.00 1.19 C ATOM 0 H LEU A 127 13.085 -3.243 -4.391 1.00 0.47 H new ATOM 0 HA LEU A 127 13.344 -5.088 -5.547 1.00 0.48 H new ATOM 0 HB2 LEU A 127 15.551 -5.791 -5.642 1.00 0.52 H new ATOM 0 HB3 LEU A 127 15.701 -4.253 -4.816 1.00 0.52 H new ATOM 0 HG LEU A 127 15.599 -5.740 -2.642 1.00 0.66 H new ATOM 0 HD11 LEU A 127 16.710 -7.916 -2.969 1.00 1.29 H new ATOM 0 HD12 LEU A 127 15.134 -7.851 -3.793 1.00 1.29 H new ATOM 0 HD13 LEU A 127 16.637 -7.682 -4.732 1.00 1.29 H new ATOM 0 HD21 LEU A 127 18.072 -5.906 -2.732 1.00 1.19 H new ATOM 0 HD22 LEU A 127 18.018 -5.614 -4.487 1.00 1.19 H new ATOM 0 HD23 LEU A 127 17.498 -4.341 -3.356 1.00 1.19 H new