USER MOD reduce.3.24.130724 H: found=0, std=0, add=766, rem=0, adj=15 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= -0.483 K(o=-0.48,f=-3.5!) USER MOD Single : A 45 LYS NZ :NH3+ -111:sc= -0.0368 (180deg=-1.02) USER MOD Single : A 46 GLN : amide:sc= -0.425 K(o=-0.43,f=-3.6!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -170:sc= -1.68! USER MOD Single : A 55 SER OG : rot -104:sc= -0.153 USER MOD Single : A 56 ASN : amide:sc= -0.847 K(o=-0.85,f=0.42) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 60 ASN : amide:sc= -1.84 X(o=-1.8,f=-2!) USER MOD Single : A 61 HIS : no HD1:sc= -4.57! C(o=-4.6!,f=-10!) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.0514 USER MOD Single : A 69 ASN : amide:sc= -0.0188 K(o=-0.019,f=-1.1!) 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 -152:sc= -0.316 (180deg=-1.12) USER MOD Single : A 76 LYS NZ :NH3+ -170:sc= -10.3! (180deg=-10.9!) USER MOD Single : A 77 SER OG : rot -98:sc= 0.404 USER MOD Single : A 80 CYS SG : rot -59:sc= -5.44! 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 X(o=0,f=0) USER MOD Single : A 98 ASN : amide:sc= -2.31! C(o=-2.3!,f=-4.8!) USER MOD Single : A 99 ASN : amide:sc= -1.19! K(o=-1.2!,f=-0.066) USER MOD Single : A 102 LYS NZ :NH3+ -173:sc=-0.00148 (180deg=-0.0598) USER MOD Single : A 105 GLN : amide:sc= -1.78! K(o=-1.8!,f=-2.7) USER MOD Single : A 107 LYS NZ :NH3+ 178:sc= -4.11! (180deg=-4.39!) USER MOD Single : A 111 LYS NZ :NH3+ -166:sc=-0.00739 (180deg=-0.141) USER MOD Single : A 112 GLN : amide:sc= -1.24 K(o=-1.2,f=-0.18) USER MOD Single : A 114 ASN : amide:sc= -0.231 K(o=-0.23,f=-6.5!) USER MOD Single : A 115 HIS : no HD1:sc= -0.553 K(o=-0.55,f=-2.7!) USER MOD Single : A 122 GLN : amide:sc= -0.499 X(o=-0.5,f=0) USER MOD Single : A 126 THR OG1 : rot -124:sc= 0.995 USER MOD ----------------------------------------------------------------- ATOM 515 N PRO A 36 -6.316 1.776 2.726 1.00 0.33 N ATOM 516 CA PRO A 36 -6.637 2.111 1.344 1.00 0.40 C ATOM 517 C PRO A 36 -6.186 1.021 0.386 1.00 0.35 C ATOM 518 O PRO A 36 -6.550 1.012 -0.789 1.00 0.48 O ATOM 519 CB PRO A 36 -5.852 3.395 1.105 1.00 0.47 C ATOM 520 CG PRO A 36 -4.666 3.275 1.993 1.00 0.27 C ATOM 521 CD PRO A 36 -5.120 2.502 3.202 1.00 0.30 C ATOM 0 HA PRO A 36 -7.709 2.219 1.177 1.00 0.40 H new ATOM 0 HB2 PRO A 36 -5.558 3.492 0.060 1.00 0.47 H new ATOM 0 HB3 PRO A 36 -6.446 4.275 1.352 1.00 0.47 H new ATOM 0 HG2 PRO A 36 -3.851 2.759 1.485 1.00 0.27 H new ATOM 0 HG3 PRO A 36 -4.293 4.259 2.278 1.00 0.27 H new ATOM 0 HD2 PRO A 36 -4.348 1.816 3.552 1.00 0.30 H new ATOM 0 HD3 PRO A 36 -5.359 3.164 4.034 1.00 0.30 H new ATOM 529 N ALA A 37 -5.385 0.100 0.909 1.00 0.27 N ATOM 530 CA ALA A 37 -4.865 -1.007 0.125 1.00 0.31 C ATOM 531 C ALA A 37 -5.855 -2.164 0.081 1.00 0.29 C ATOM 532 O ALA A 37 -5.857 -2.960 -0.862 1.00 0.35 O ATOM 533 CB ALA A 37 -3.542 -1.474 0.708 1.00 0.37 C ATOM 0 H ALA A 37 -5.081 0.102 1.883 1.00 0.27 H new ATOM 0 HA ALA A 37 -4.709 -0.659 -0.896 1.00 0.31 H new ATOM 0 HB1 ALA A 37 -3.156 -2.304 0.116 1.00 0.37 H new ATOM 0 HB2 ALA A 37 -2.826 -0.652 0.690 1.00 0.37 H new ATOM 0 HB3 ALA A 37 -3.693 -1.801 1.737 1.00 0.37 H new ATOM 539 N GLU A 38 -6.705 -2.248 1.098 1.00 0.28 N ATOM 540 CA GLU A 38 -7.680 -3.321 1.166 1.00 0.30 C ATOM 541 C GLU A 38 -8.558 -3.341 -0.082 1.00 0.25 C ATOM 542 O GLU A 38 -9.171 -4.358 -0.402 1.00 0.25 O ATOM 543 CB GLU A 38 -8.523 -3.225 2.436 1.00 0.38 C ATOM 544 CG GLU A 38 -9.792 -2.397 2.284 1.00 0.39 C ATOM 545 CD GLU A 38 -10.609 -2.343 3.561 1.00 0.86 C ATOM 546 OE1 GLU A 38 -11.433 -3.256 3.776 1.00 1.36 O ATOM 547 OE2 GLU A 38 -10.424 -1.387 4.343 1.00 1.46 O ATOM 0 H GLU A 38 -6.736 -1.591 1.878 1.00 0.28 H new ATOM 0 HA GLU A 38 -7.135 -4.264 1.206 1.00 0.30 H new ATOM 0 HB2 GLU A 38 -8.796 -4.231 2.754 1.00 0.38 H new ATOM 0 HB3 GLU A 38 -7.914 -2.793 3.231 1.00 0.38 H new ATOM 0 HG2 GLU A 38 -9.526 -1.383 1.984 1.00 0.39 H new ATOM 0 HG3 GLU A 38 -10.402 -2.817 1.484 1.00 0.39 H new ATOM 554 N ASN A 39 -8.621 -2.210 -0.783 1.00 0.28 N ATOM 555 CA ASN A 39 -9.393 -2.128 -2.018 1.00 0.30 C ATOM 556 C ASN A 39 -8.727 -3.019 -3.057 1.00 0.24 C ATOM 557 O ASN A 39 -9.358 -3.914 -3.634 1.00 0.22 O ATOM 558 CB ASN A 39 -9.460 -0.682 -2.514 1.00 0.37 C ATOM 559 CG ASN A 39 -10.415 -0.507 -3.680 1.00 1.22 C ATOM 560 OD1 ASN A 39 -10.638 -1.431 -4.462 1.00 2.04 O ATOM 561 ND2 ASN A 39 -10.985 0.686 -3.800 1.00 2.00 N ATOM 0 H ASN A 39 -8.150 -1.345 -0.518 1.00 0.28 H new ATOM 0 HA ASN A 39 -10.415 -2.464 -1.841 1.00 0.30 H new ATOM 0 HB2 ASN A 39 -9.772 -0.035 -1.694 1.00 0.37 H new ATOM 0 HB3 ASN A 39 -8.463 -0.359 -2.814 1.00 0.37 H new ATOM 0 HD21 ASN A 39 -11.637 0.865 -4.564 1.00 2.00 H new ATOM 0 HD22 ASN A 39 -10.771 1.423 -3.128 1.00 2.00 H new ATOM 568 N PHE A 40 -7.438 -2.768 -3.285 1.00 0.23 N ATOM 569 CA PHE A 40 -6.666 -3.573 -4.213 1.00 0.21 C ATOM 570 C PHE A 40 -6.869 -5.032 -3.846 1.00 0.17 C ATOM 571 O PHE A 40 -7.062 -5.889 -4.707 1.00 0.19 O ATOM 572 CB PHE A 40 -5.176 -3.200 -4.141 1.00 0.23 C ATOM 573 CG PHE A 40 -4.266 -4.362 -3.831 1.00 0.95 C ATOM 574 CD1 PHE A 40 -3.795 -5.180 -4.843 1.00 1.59 C ATOM 575 CD2 PHE A 40 -3.895 -4.639 -2.526 1.00 1.48 C ATOM 576 CE1 PHE A 40 -2.973 -6.254 -4.558 1.00 2.32 C ATOM 577 CE2 PHE A 40 -3.072 -5.711 -2.236 1.00 2.20 C ATOM 578 CZ PHE A 40 -2.613 -6.519 -3.255 1.00 2.54 C ATOM 0 H PHE A 40 -6.914 -2.015 -2.839 1.00 0.23 H new ATOM 0 HA PHE A 40 -7.000 -3.393 -5.235 1.00 0.21 H new ATOM 0 HB2 PHE A 40 -4.876 -2.761 -5.092 1.00 0.23 H new ATOM 0 HB3 PHE A 40 -5.041 -2.433 -3.379 1.00 0.23 H new ATOM 0 HD1 PHE A 40 -4.073 -4.977 -5.867 1.00 1.59 H new ATOM 0 HD2 PHE A 40 -4.253 -4.010 -1.725 1.00 1.48 H new ATOM 0 HE1 PHE A 40 -2.613 -6.885 -5.357 1.00 2.32 H new ATOM 0 HE2 PHE A 40 -2.789 -5.915 -1.214 1.00 2.20 H new ATOM 0 HZ PHE A 40 -1.972 -7.359 -3.032 1.00 2.54 H new ATOM 588 N ARG A 41 -6.826 -5.293 -2.541 1.00 0.15 N ATOM 589 CA ARG A 41 -7.024 -6.635 -2.026 1.00 0.18 C ATOM 590 C ARG A 41 -8.377 -7.165 -2.456 1.00 0.21 C ATOM 591 O ARG A 41 -8.515 -8.330 -2.817 1.00 0.25 O ATOM 592 CB ARG A 41 -6.954 -6.637 -0.507 1.00 0.24 C ATOM 593 CG ARG A 41 -5.600 -6.297 0.051 1.00 0.32 C ATOM 594 CD ARG A 41 -5.671 -6.163 1.556 1.00 0.33 C ATOM 595 NE ARG A 41 -7.046 -6.184 2.057 1.00 1.36 N ATOM 596 CZ ARG A 41 -7.414 -6.802 3.174 1.00 1.65 C ATOM 597 NH1 ARG A 41 -6.517 -7.447 3.908 1.00 1.07 N ATOM 598 NH2 ARG A 41 -8.683 -6.777 3.560 1.00 2.77 N ATOM 0 H ARG A 41 -6.655 -4.588 -1.824 1.00 0.15 H new ATOM 0 HA ARG A 41 -6.235 -7.272 -2.426 1.00 0.18 H new ATOM 0 HB2 ARG A 41 -7.683 -5.924 -0.121 1.00 0.24 H new ATOM 0 HB3 ARG A 41 -7.247 -7.622 -0.143 1.00 0.24 H new ATOM 0 HG2 ARG A 41 -4.883 -7.072 -0.218 1.00 0.32 H new ATOM 0 HG3 ARG A 41 -5.242 -5.365 -0.387 1.00 0.32 H new ATOM 0 HD2 ARG A 41 -5.108 -6.975 2.017 1.00 0.33 H new ATOM 0 HD3 ARG A 41 -5.192 -5.231 1.857 1.00 0.33 H new ATOM 0 HE ARG A 41 -7.762 -5.697 1.518 1.00 1.36 H new ATOM 0 HH11 ARG A 41 -5.540 -7.470 3.616 1.00 1.07 H new ATOM 0 HH12 ARG A 41 -6.804 -7.920 4.765 1.00 1.07 H new ATOM 0 HH21 ARG A 41 -9.377 -6.283 2.999 1.00 2.77 H new ATOM 0 HH22 ARG A 41 -8.965 -7.252 4.418 1.00 2.77 H new ATOM 612 N VAL A 42 -9.380 -6.297 -2.398 1.00 0.21 N ATOM 613 CA VAL A 42 -10.722 -6.677 -2.785 1.00 0.24 C ATOM 614 C VAL A 42 -10.737 -7.187 -4.217 1.00 0.20 C ATOM 615 O VAL A 42 -11.337 -8.214 -4.503 1.00 0.26 O ATOM 616 CB VAL A 42 -11.722 -5.508 -2.626 1.00 0.29 C ATOM 617 CG1 VAL A 42 -12.974 -5.744 -3.460 1.00 0.35 C ATOM 618 CG2 VAL A 42 -12.090 -5.326 -1.164 1.00 0.35 C ATOM 0 H VAL A 42 -9.284 -5.330 -2.087 1.00 0.21 H new ATOM 0 HA VAL A 42 -11.039 -7.477 -2.115 1.00 0.24 H new ATOM 0 HB VAL A 42 -11.241 -4.598 -2.985 1.00 0.29 H new ATOM 0 HG11 VAL A 42 -13.661 -4.907 -3.330 1.00 0.35 H new ATOM 0 HG12 VAL A 42 -12.700 -5.829 -4.512 1.00 0.35 H new ATOM 0 HG13 VAL A 42 -13.459 -6.665 -3.136 1.00 0.35 H new ATOM 0 HG21 VAL A 42 -12.794 -4.500 -1.066 1.00 0.35 H new ATOM 0 HG22 VAL A 42 -12.549 -6.240 -0.788 1.00 0.35 H new ATOM 0 HG23 VAL A 42 -11.191 -5.107 -0.587 1.00 0.35 H new ATOM 628 N LEU A 43 -10.060 -6.486 -5.119 1.00 0.15 N ATOM 629 CA LEU A 43 -10.030 -6.921 -6.513 1.00 0.15 C ATOM 630 C LEU A 43 -9.235 -8.211 -6.686 1.00 0.12 C ATOM 631 O LEU A 43 -9.635 -9.088 -7.451 1.00 0.14 O ATOM 632 CB LEU A 43 -9.465 -5.837 -7.423 1.00 0.16 C ATOM 633 CG LEU A 43 -10.289 -4.559 -7.473 1.00 0.19 C ATOM 634 CD1 LEU A 43 -9.651 -3.517 -6.587 1.00 0.20 C ATOM 635 CD2 LEU A 43 -10.423 -4.055 -8.901 1.00 0.24 C ATOM 0 H LEU A 43 -9.536 -5.634 -4.919 1.00 0.15 H new ATOM 0 HA LEU A 43 -11.063 -7.115 -6.802 1.00 0.15 H new ATOM 0 HB2 LEU A 43 -8.457 -5.591 -7.090 1.00 0.16 H new ATOM 0 HB3 LEU A 43 -9.378 -6.238 -8.433 1.00 0.16 H new ATOM 0 HG LEU A 43 -11.294 -4.768 -7.107 1.00 0.19 H new ATOM 0 HD11 LEU A 43 -10.240 -2.600 -6.621 1.00 0.20 H new ATOM 0 HD12 LEU A 43 -9.612 -3.885 -5.562 1.00 0.20 H new ATOM 0 HD13 LEU A 43 -8.639 -3.312 -6.937 1.00 0.20 H new ATOM 0 HD21 LEU A 43 -11.016 -3.141 -8.910 1.00 0.24 H new ATOM 0 HD22 LEU A 43 -9.433 -3.849 -9.309 1.00 0.24 H new ATOM 0 HD23 LEU A 43 -10.916 -4.813 -9.510 1.00 0.24 H new ATOM 647 N VAL A 44 -8.115 -8.332 -5.979 1.00 0.11 N ATOM 648 CA VAL A 44 -7.295 -9.532 -6.088 1.00 0.12 C ATOM 649 C VAL A 44 -7.965 -10.717 -5.397 1.00 0.15 C ATOM 650 O VAL A 44 -7.678 -11.873 -5.711 1.00 0.20 O ATOM 651 CB VAL A 44 -5.882 -9.346 -5.487 1.00 0.13 C ATOM 652 CG1 VAL A 44 -5.225 -8.074 -5.999 1.00 0.14 C ATOM 653 CG2 VAL A 44 -5.936 -9.342 -3.970 1.00 0.14 C ATOM 0 H VAL A 44 -7.759 -7.626 -5.335 1.00 0.11 H new ATOM 0 HA VAL A 44 -7.193 -9.727 -7.155 1.00 0.12 H new ATOM 0 HB VAL A 44 -5.274 -10.191 -5.809 1.00 0.13 H new ATOM 0 HG11 VAL A 44 -4.234 -7.973 -5.557 1.00 0.14 H new ATOM 0 HG12 VAL A 44 -5.136 -8.122 -7.084 1.00 0.14 H new ATOM 0 HG13 VAL A 44 -5.834 -7.213 -5.723 1.00 0.14 H new ATOM 0 HG21 VAL A 44 -4.931 -9.210 -3.570 1.00 0.14 H new ATOM 0 HG22 VAL A 44 -6.572 -8.524 -3.631 1.00 0.14 H new ATOM 0 HG23 VAL A 44 -6.345 -10.289 -3.618 1.00 0.14 H new ATOM 663 N LYS A 45 -8.866 -10.424 -4.459 1.00 0.19 N ATOM 664 CA LYS A 45 -9.555 -11.469 -3.708 1.00 0.26 C ATOM 665 C LYS A 45 -10.951 -11.743 -4.276 1.00 0.27 C ATOM 666 O LYS A 45 -11.531 -12.799 -4.024 1.00 0.32 O ATOM 667 CB LYS A 45 -9.659 -11.076 -2.226 1.00 0.32 C ATOM 668 CG LYS A 45 -10.826 -10.149 -1.918 1.00 0.34 C ATOM 669 CD LYS A 45 -10.925 -9.849 -0.431 1.00 0.42 C ATOM 670 CE LYS A 45 -9.748 -9.019 0.057 1.00 0.46 C ATOM 671 NZ LYS A 45 -9.874 -8.672 1.499 1.00 0.75 N ATOM 0 H LYS A 45 -9.134 -9.474 -4.203 1.00 0.19 H new ATOM 0 HA LYS A 45 -8.970 -12.384 -3.799 1.00 0.26 H new ATOM 0 HB2 LYS A 45 -9.757 -11.980 -1.626 1.00 0.32 H new ATOM 0 HB3 LYS A 45 -8.731 -10.591 -1.922 1.00 0.32 H new ATOM 0 HG2 LYS A 45 -10.707 -9.217 -2.471 1.00 0.34 H new ATOM 0 HG3 LYS A 45 -11.755 -10.606 -2.260 1.00 0.34 H new ATOM 0 HD2 LYS A 45 -11.854 -9.316 -0.229 1.00 0.42 H new ATOM 0 HD3 LYS A 45 -10.966 -10.785 0.127 1.00 0.42 H new ATOM 0 HE2 LYS A 45 -8.822 -9.572 -0.104 1.00 0.46 H new ATOM 0 HE3 LYS A 45 -9.680 -8.104 -0.532 1.00 0.46 H new ATOM 0 HZ1 LYS A 45 -10.046 -7.651 1.597 1.00 0.75 H new ATOM 0 HZ2 LYS A 45 -10.669 -9.198 1.915 1.00 0.75 H new ATOM 0 HZ3 LYS A 45 -8.995 -8.924 1.995 1.00 0.75 H new ATOM 685 N GLN A 46 -11.484 -10.793 -5.041 1.00 0.26 N ATOM 686 CA GLN A 46 -12.814 -10.944 -5.628 1.00 0.31 C ATOM 687 C GLN A 46 -12.730 -11.230 -7.125 1.00 0.34 C ATOM 688 O GLN A 46 -11.655 -11.500 -7.661 1.00 0.38 O ATOM 689 CB GLN A 46 -13.657 -9.686 -5.396 1.00 0.30 C ATOM 690 CG GLN A 46 -13.868 -9.356 -3.930 1.00 0.30 C ATOM 691 CD GLN A 46 -14.597 -10.454 -3.182 1.00 0.37 C ATOM 692 OE1 GLN A 46 -13.978 -11.357 -2.620 1.00 1.06 O ATOM 693 NE2 GLN A 46 -15.924 -10.385 -3.172 1.00 1.27 N ATOM 0 H GLN A 46 -11.018 -9.914 -5.268 1.00 0.26 H new ATOM 0 HA GLN A 46 -13.291 -11.792 -5.136 1.00 0.31 H new ATOM 0 HB2 GLN A 46 -13.173 -8.840 -5.884 1.00 0.30 H new ATOM 0 HB3 GLN A 46 -14.628 -9.817 -5.873 1.00 0.30 H new ATOM 0 HG2 GLN A 46 -12.901 -9.181 -3.458 1.00 0.30 H new ATOM 0 HG3 GLN A 46 -14.435 -8.429 -3.849 1.00 0.30 H new ATOM 0 HE21 GLN A 46 -16.398 -9.619 -3.651 1.00 1.27 H new ATOM 0 HE22 GLN A 46 -16.468 -11.098 -2.686 1.00 1.27 H new ATOM 702 N LYS A 47 -13.880 -11.170 -7.788 1.00 0.40 N ATOM 703 CA LYS A 47 -13.965 -11.411 -9.225 1.00 0.46 C ATOM 704 C LYS A 47 -13.477 -10.193 -10.002 1.00 0.42 C ATOM 705 O LYS A 47 -13.403 -10.215 -11.233 1.00 0.47 O ATOM 706 CB LYS A 47 -15.411 -11.716 -9.612 1.00 0.52 C ATOM 707 CG LYS A 47 -16.371 -10.591 -9.261 1.00 0.53 C ATOM 708 CD LYS A 47 -17.811 -10.960 -9.581 1.00 0.85 C ATOM 709 CE LYS A 47 -18.777 -9.880 -9.122 1.00 1.64 C ATOM 710 NZ LYS A 47 -20.191 -10.230 -9.431 1.00 2.55 N ATOM 0 H LYS A 47 -14.775 -10.954 -7.348 1.00 0.40 H new ATOM 0 HA LYS A 47 -13.331 -12.263 -9.472 1.00 0.46 H new ATOM 0 HB2 LYS A 47 -15.461 -11.908 -10.684 1.00 0.52 H new ATOM 0 HB3 LYS A 47 -15.731 -12.629 -9.109 1.00 0.52 H new ATOM 0 HG2 LYS A 47 -16.283 -10.355 -8.201 1.00 0.53 H new ATOM 0 HG3 LYS A 47 -16.095 -9.692 -9.812 1.00 0.53 H new ATOM 0 HD2 LYS A 47 -17.919 -11.114 -10.655 1.00 0.85 H new ATOM 0 HD3 LYS A 47 -18.062 -11.904 -9.097 1.00 0.85 H new ATOM 0 HE2 LYS A 47 -18.667 -9.728 -8.048 1.00 1.64 H new ATOM 0 HE3 LYS A 47 -18.523 -8.937 -9.605 1.00 1.64 H new ATOM 0 HZ1 LYS A 47 -20.817 -9.468 -9.102 1.00 2.55 H new ATOM 0 HZ2 LYS A 47 -20.302 -10.350 -10.458 1.00 2.55 H new ATOM 0 HZ3 LYS A 47 -20.442 -11.117 -8.949 1.00 2.55 H new ATOM 724 N LYS A 48 -13.152 -9.135 -9.272 1.00 0.36 N ATOM 725 CA LYS A 48 -12.683 -7.891 -9.871 1.00 0.40 C ATOM 726 C LYS A 48 -11.357 -8.076 -10.612 1.00 0.53 C ATOM 727 O LYS A 48 -11.014 -9.175 -11.047 1.00 1.19 O ATOM 728 CB LYS A 48 -12.523 -6.824 -8.790 1.00 0.32 C ATOM 729 CG LYS A 48 -13.622 -5.776 -8.788 1.00 0.73 C ATOM 730 CD LYS A 48 -14.904 -6.319 -8.183 1.00 0.46 C ATOM 731 CE LYS A 48 -14.757 -6.532 -6.686 1.00 0.89 C ATOM 732 NZ LYS A 48 -16.011 -7.054 -6.073 1.00 1.46 N ATOM 0 H LYS A 48 -13.205 -9.113 -8.254 1.00 0.36 H new ATOM 0 HA LYS A 48 -13.429 -7.575 -10.600 1.00 0.40 H new ATOM 0 HB2 LYS A 48 -12.497 -7.310 -7.815 1.00 0.32 H new ATOM 0 HB3 LYS A 48 -11.562 -6.327 -8.924 1.00 0.32 H new ATOM 0 HG2 LYS A 48 -13.293 -4.903 -8.224 1.00 0.73 H new ATOM 0 HG3 LYS A 48 -13.812 -5.444 -9.809 1.00 0.73 H new ATOM 0 HD2 LYS A 48 -15.723 -5.626 -8.376 1.00 0.46 H new ATOM 0 HD3 LYS A 48 -15.165 -7.262 -8.663 1.00 0.46 H new ATOM 0 HE2 LYS A 48 -13.942 -7.231 -6.497 1.00 0.89 H new ATOM 0 HE3 LYS A 48 -14.485 -5.590 -6.210 1.00 0.89 H new ATOM 0 HZ1 LYS A 48 -15.869 -7.186 -5.051 1.00 1.46 H new ATOM 0 HZ2 LYS A 48 -16.783 -6.375 -6.231 1.00 1.46 H new ATOM 0 HZ3 LYS A 48 -16.257 -7.966 -6.509 1.00 1.46 H new ATOM 746 N ALA A 49 -10.628 -6.972 -10.754 1.00 0.26 N ATOM 747 CA ALA A 49 -9.335 -6.947 -11.433 1.00 0.22 C ATOM 748 C ALA A 49 -8.403 -8.060 -10.975 1.00 0.20 C ATOM 749 O ALA A 49 -8.666 -8.758 -9.995 1.00 0.24 O ATOM 750 CB ALA A 49 -8.657 -5.621 -11.177 1.00 0.21 C ATOM 0 H ALA A 49 -10.920 -6.062 -10.398 1.00 0.26 H new ATOM 0 HA ALA A 49 -9.534 -7.094 -12.495 1.00 0.22 H new ATOM 0 HB1 ALA A 49 -7.692 -5.602 -11.684 1.00 0.21 H new ATOM 0 HB2 ALA A 49 -9.282 -4.813 -11.557 1.00 0.21 H new ATOM 0 HB3 ALA A 49 -8.507 -5.490 -10.105 1.00 0.21 H new ATOM 756 N SER A 50 -7.297 -8.203 -11.698 1.00 0.21 N ATOM 757 CA SER A 50 -6.279 -9.188 -11.368 1.00 0.21 C ATOM 758 C SER A 50 -5.326 -8.592 -10.345 1.00 0.18 C ATOM 759 O SER A 50 -5.447 -7.418 -9.994 1.00 0.19 O ATOM 760 CB SER A 50 -5.514 -9.610 -12.624 1.00 0.25 C ATOM 761 OG SER A 50 -5.208 -8.490 -13.434 1.00 0.27 O ATOM 0 H SER A 50 -7.084 -7.643 -12.523 1.00 0.21 H new ATOM 0 HA SER A 50 -6.756 -10.074 -10.950 1.00 0.21 H new ATOM 0 HB2 SER A 50 -4.593 -10.119 -12.339 1.00 0.25 H new ATOM 0 HB3 SER A 50 -6.109 -10.323 -13.194 1.00 0.25 H new ATOM 0 HG SER A 50 -4.863 -8.796 -14.299 1.00 0.27 H new ATOM 767 N PHE A 51 -4.379 -9.386 -9.868 1.00 0.19 N ATOM 768 CA PHE A 51 -3.427 -8.895 -8.883 1.00 0.20 C ATOM 769 C PHE A 51 -2.609 -7.743 -9.456 1.00 0.23 C ATOM 770 O PHE A 51 -1.953 -7.008 -8.718 1.00 0.26 O ATOM 771 CB PHE A 51 -2.497 -10.017 -8.422 1.00 0.23 C ATOM 772 CG PHE A 51 -1.733 -9.670 -7.176 1.00 0.23 C ATOM 773 CD1 PHE A 51 -2.283 -9.890 -5.924 1.00 0.98 C ATOM 774 CD2 PHE A 51 -0.459 -9.138 -7.261 1.00 0.98 C ATOM 775 CE1 PHE A 51 -1.573 -9.584 -4.780 1.00 0.97 C ATOM 776 CE2 PHE A 51 0.256 -8.831 -6.123 1.00 1.05 C ATOM 777 CZ PHE A 51 -0.345 -9.004 -4.866 1.00 0.43 C ATOM 0 H PHE A 51 -4.250 -10.360 -10.142 1.00 0.19 H new ATOM 0 HA PHE A 51 -3.989 -8.533 -8.022 1.00 0.20 H new ATOM 0 HB2 PHE A 51 -3.084 -10.918 -8.243 1.00 0.23 H new ATOM 0 HB3 PHE A 51 -1.793 -10.249 -9.221 1.00 0.23 H new ATOM 0 HD1 PHE A 51 -3.277 -10.305 -5.842 1.00 0.98 H new ATOM 0 HD2 PHE A 51 -0.019 -8.961 -8.231 1.00 0.98 H new ATOM 0 HE1 PHE A 51 -1.995 -9.806 -3.811 1.00 0.97 H new ATOM 0 HE2 PHE A 51 1.268 -8.461 -6.198 1.00 1.05 H new ATOM 0 HZ PHE A 51 0.165 -8.678 -3.971 1.00 0.43 H new ATOM 787 N GLU A 52 -2.661 -7.586 -10.773 1.00 0.25 N ATOM 788 CA GLU A 52 -1.909 -6.535 -11.442 1.00 0.28 C ATOM 789 C GLU A 52 -2.661 -5.204 -11.471 1.00 0.25 C ATOM 790 O GLU A 52 -2.145 -4.197 -10.998 1.00 0.28 O ATOM 791 CB GLU A 52 -1.519 -6.997 -12.852 1.00 0.33 C ATOM 792 CG GLU A 52 -2.566 -6.733 -13.923 1.00 0.35 C ATOM 793 CD GLU A 52 -2.139 -7.230 -15.290 1.00 0.43 C ATOM 794 OE1 GLU A 52 -2.287 -8.442 -15.555 1.00 0.80 O ATOM 795 OE2 GLU A 52 -1.659 -6.407 -16.098 1.00 0.83 O ATOM 0 H GLU A 52 -3.215 -8.173 -11.397 1.00 0.25 H new ATOM 0 HA GLU A 52 -1.002 -6.351 -10.867 1.00 0.28 H new ATOM 0 HB2 GLU A 52 -0.593 -6.499 -13.139 1.00 0.33 H new ATOM 0 HB3 GLU A 52 -1.310 -8.066 -12.824 1.00 0.33 H new ATOM 0 HG2 GLU A 52 -3.500 -7.218 -13.640 1.00 0.35 H new ATOM 0 HG3 GLU A 52 -2.765 -5.663 -13.975 1.00 0.35 H new ATOM 802 N GLU A 53 -3.872 -5.193 -12.021 1.00 0.24 N ATOM 803 CA GLU A 53 -4.658 -3.961 -12.097 1.00 0.23 C ATOM 804 C GLU A 53 -4.973 -3.471 -10.702 1.00 0.19 C ATOM 805 O GLU A 53 -4.929 -2.277 -10.415 1.00 0.21 O ATOM 806 CB GLU A 53 -5.962 -4.182 -12.856 1.00 0.27 C ATOM 807 CG GLU A 53 -5.986 -5.492 -13.588 1.00 1.06 C ATOM 808 CD GLU A 53 -7.077 -5.566 -14.639 1.00 1.05 C ATOM 809 OE1 GLU A 53 -6.844 -5.093 -15.770 1.00 1.26 O ATOM 810 OE2 GLU A 53 -8.163 -6.096 -14.327 1.00 1.23 O ATOM 0 H GLU A 53 -4.329 -6.014 -12.418 1.00 0.24 H new ATOM 0 HA GLU A 53 -4.067 -3.217 -12.632 1.00 0.23 H new ATOM 0 HB2 GLU A 53 -6.797 -4.145 -12.156 1.00 0.27 H new ATOM 0 HB3 GLU A 53 -6.107 -3.369 -13.568 1.00 0.27 H new ATOM 0 HG2 GLU A 53 -5.019 -5.653 -14.065 1.00 1.06 H new ATOM 0 HG3 GLU A 53 -6.126 -6.300 -12.870 1.00 1.06 H new ATOM 817 N ALA A 54 -5.303 -4.424 -9.842 1.00 0.19 N ATOM 818 CA ALA A 54 -5.627 -4.135 -8.462 1.00 0.16 C ATOM 819 C ALA A 54 -4.452 -3.466 -7.768 1.00 0.18 C ATOM 820 O ALA A 54 -4.595 -2.392 -7.179 1.00 0.17 O ATOM 821 CB ALA A 54 -6.010 -5.418 -7.753 1.00 0.16 C ATOM 0 H ALA A 54 -5.352 -5.413 -10.085 1.00 0.19 H new ATOM 0 HA ALA A 54 -6.472 -3.447 -8.429 1.00 0.16 H new ATOM 0 HB1 ALA A 54 -6.254 -5.200 -6.713 1.00 0.16 H new ATOM 0 HB2 ALA A 54 -6.877 -5.860 -8.244 1.00 0.16 H new ATOM 0 HB3 ALA A 54 -5.175 -6.118 -7.791 1.00 0.16 H new ATOM 827 N SER A 55 -3.282 -4.096 -7.848 1.00 0.26 N ATOM 828 CA SER A 55 -2.095 -3.537 -7.228 1.00 0.31 C ATOM 829 C SER A 55 -1.761 -2.221 -7.897 1.00 0.33 C ATOM 830 O SER A 55 -1.325 -1.272 -7.251 1.00 0.39 O ATOM 831 CB SER A 55 -0.917 -4.496 -7.350 1.00 0.43 C ATOM 832 OG SER A 55 -0.521 -4.636 -8.704 1.00 1.20 O ATOM 0 H SER A 55 -3.136 -4.983 -8.331 1.00 0.26 H new ATOM 0 HA SER A 55 -2.291 -3.375 -6.168 1.00 0.31 H new ATOM 0 HB2 SER A 55 -0.079 -4.128 -6.758 1.00 0.43 H new ATOM 0 HB3 SER A 55 -1.191 -5.470 -6.944 1.00 0.43 H new ATOM 0 HG SER A 55 -0.839 -5.496 -9.050 1.00 1.20 H new ATOM 838 N ASN A 56 -1.982 -2.178 -9.204 1.00 0.32 N ATOM 839 CA ASN A 56 -1.734 -0.977 -9.979 1.00 0.35 C ATOM 840 C ASN A 56 -2.596 0.159 -9.460 1.00 0.30 C ATOM 841 O ASN A 56 -2.153 1.299 -9.394 1.00 0.34 O ATOM 842 CB ASN A 56 -2.008 -1.233 -11.466 1.00 0.40 C ATOM 843 CG ASN A 56 -0.767 -1.680 -12.214 1.00 0.49 C ATOM 844 OD1 ASN A 56 -0.493 -2.873 -12.339 1.00 1.19 O ATOM 845 ND2 ASN A 56 -0.004 -0.716 -12.718 1.00 1.19 N ATOM 0 H ASN A 56 -2.334 -2.966 -9.748 1.00 0.32 H new ATOM 0 HA ASN A 56 -0.686 -0.696 -9.872 1.00 0.35 H new ATOM 0 HB2 ASN A 56 -2.782 -1.994 -11.564 1.00 0.40 H new ATOM 0 HB3 ASN A 56 -2.396 -0.323 -11.923 1.00 0.40 H new ATOM 0 HD21 ASN A 56 0.845 -0.953 -13.231 1.00 1.19 H new ATOM 0 HD22 ASN A 56 -0.267 0.261 -12.592 1.00 1.19 H new ATOM 852 N GLN A 57 -3.826 -0.171 -9.076 1.00 0.25 N ATOM 853 CA GLN A 57 -4.744 0.821 -8.540 1.00 0.24 C ATOM 854 C GLN A 57 -4.297 1.225 -7.143 1.00 0.20 C ATOM 855 O GLN A 57 -4.487 2.366 -6.725 1.00 0.19 O ATOM 856 CB GLN A 57 -6.168 0.267 -8.494 1.00 0.27 C ATOM 857 CG GLN A 57 -7.226 1.334 -8.267 1.00 0.85 C ATOM 858 CD GLN A 57 -8.542 0.756 -7.780 1.00 1.10 C ATOM 859 OE1 GLN A 57 -8.889 -0.380 -8.100 1.00 1.66 O ATOM 860 NE2 GLN A 57 -9.281 1.539 -7.004 1.00 1.57 N ATOM 0 H GLN A 57 -4.206 -1.116 -9.127 1.00 0.25 H new ATOM 0 HA GLN A 57 -4.737 1.695 -9.191 1.00 0.24 H new ATOM 0 HB2 GLN A 57 -6.379 -0.249 -9.430 1.00 0.27 H new ATOM 0 HB3 GLN A 57 -6.235 -0.475 -7.699 1.00 0.27 H new ATOM 0 HG2 GLN A 57 -6.858 2.056 -7.538 1.00 0.85 H new ATOM 0 HG3 GLN A 57 -7.394 1.878 -9.197 1.00 0.85 H new ATOM 0 HE21 GLN A 57 -8.954 2.475 -6.764 1.00 1.57 H new ATOM 0 HE22 GLN A 57 -10.176 1.205 -6.648 1.00 1.57 H new ATOM 869 N LEU A 58 -3.709 0.270 -6.425 1.00 0.19 N ATOM 870 CA LEU A 58 -3.212 0.528 -5.080 1.00 0.17 C ATOM 871 C LEU A 58 -2.060 1.518 -5.142 1.00 0.17 C ATOM 872 O LEU A 58 -2.108 2.576 -4.515 1.00 0.18 O ATOM 873 CB LEU A 58 -2.742 -0.778 -4.418 1.00 0.19 C ATOM 874 CG LEU A 58 -2.883 -0.860 -2.882 1.00 0.20 C ATOM 875 CD1 LEU A 58 -1.848 -1.812 -2.305 1.00 0.24 C ATOM 876 CD2 LEU A 58 -2.747 0.511 -2.239 1.00 0.20 C ATOM 0 H LEU A 58 -3.567 -0.685 -6.753 1.00 0.19 H new ATOM 0 HA LEU A 58 -4.021 0.948 -4.482 1.00 0.17 H new ATOM 0 HB2 LEU A 58 -3.302 -1.604 -4.857 1.00 0.19 H new ATOM 0 HB3 LEU A 58 -1.694 -0.932 -4.673 1.00 0.19 H new ATOM 0 HG LEU A 58 -3.880 -1.240 -2.660 1.00 0.20 H new ATOM 0 HD11 LEU A 58 -1.960 -1.859 -1.222 1.00 0.24 H new ATOM 0 HD12 LEU A 58 -1.992 -2.806 -2.728 1.00 0.24 H new ATOM 0 HD13 LEU A 58 -0.848 -1.455 -2.551 1.00 0.24 H new ATOM 0 HD21 LEU A 58 -2.851 0.418 -1.158 1.00 0.20 H new ATOM 0 HD22 LEU A 58 -1.768 0.928 -2.475 1.00 0.20 H new ATOM 0 HD23 LEU A 58 -3.524 1.172 -2.623 1.00 0.20 H new ATOM 888 N ILE A 59 -1.026 1.178 -5.912 1.00 0.19 N ATOM 889 CA ILE A 59 0.127 2.053 -6.043 1.00 0.20 C ATOM 890 C ILE A 59 -0.313 3.374 -6.667 1.00 0.18 C ATOM 891 O ILE A 59 0.214 4.437 -6.345 1.00 0.16 O ATOM 892 CB ILE A 59 1.235 1.436 -6.924 1.00 0.25 C ATOM 893 CG1 ILE A 59 1.372 -0.073 -6.665 1.00 0.27 C ATOM 894 CG2 ILE A 59 2.550 2.150 -6.673 1.00 0.32 C ATOM 895 CD1 ILE A 59 1.638 -0.876 -7.917 1.00 0.38 C ATOM 0 H ILE A 59 -0.968 0.312 -6.447 1.00 0.19 H new ATOM 0 HA ILE A 59 0.536 2.206 -5.044 1.00 0.20 H new ATOM 0 HB ILE A 59 0.959 1.565 -7.971 1.00 0.25 H new ATOM 0 HG12 ILE A 59 2.183 -0.240 -5.956 1.00 0.27 H new ATOM 0 HG13 ILE A 59 0.458 -0.438 -6.196 1.00 0.27 H new ATOM 0 HG21 ILE A 59 3.328 1.710 -7.297 1.00 0.32 H new ATOM 0 HG22 ILE A 59 2.443 3.207 -6.918 1.00 0.32 H new ATOM 0 HG23 ILE A 59 2.826 2.047 -5.623 1.00 0.32 H new ATOM 0 HD11 ILE A 59 1.723 -1.932 -7.661 1.00 0.38 H new ATOM 0 HD12 ILE A 59 0.816 -0.738 -8.619 1.00 0.38 H new ATOM 0 HD13 ILE A 59 2.567 -0.538 -8.376 1.00 0.38 H new ATOM 907 N ASN A 60 -1.285 3.286 -7.579 1.00 0.20 N ATOM 908 CA ASN A 60 -1.825 4.465 -8.250 1.00 0.20 C ATOM 909 C ASN A 60 -2.408 5.427 -7.229 1.00 0.17 C ATOM 910 O ASN A 60 -2.104 6.621 -7.231 1.00 0.18 O ATOM 911 CB ASN A 60 -2.903 4.057 -9.251 1.00 0.22 C ATOM 912 CG ASN A 60 -2.346 3.786 -10.636 1.00 0.27 C ATOM 913 OD1 ASN A 60 -1.331 4.357 -11.034 1.00 0.81 O ATOM 914 ND2 ASN A 60 -3.015 2.911 -11.379 1.00 1.05 N ATOM 0 H ASN A 60 -1.713 2.407 -7.868 1.00 0.20 H new ATOM 0 HA ASN A 60 -1.015 4.961 -8.785 1.00 0.20 H new ATOM 0 HB2 ASN A 60 -3.411 3.164 -8.887 1.00 0.22 H new ATOM 0 HB3 ASN A 60 -3.652 4.846 -9.314 1.00 0.22 H new ATOM 0 HD21 ASN A 60 -2.692 2.689 -12.321 1.00 1.05 H new ATOM 0 HD22 ASN A 60 -3.852 2.461 -11.008 1.00 1.05 H new ATOM 921 N HIS A 61 -3.263 4.900 -6.361 1.00 0.16 N ATOM 922 CA HIS A 61 -3.860 5.702 -5.312 1.00 0.16 C ATOM 923 C HIS A 61 -2.736 6.286 -4.469 1.00 0.13 C ATOM 924 O HIS A 61 -2.787 7.437 -4.014 1.00 0.12 O ATOM 925 CB HIS A 61 -4.806 4.830 -4.483 1.00 0.20 C ATOM 926 CG HIS A 61 -4.573 4.904 -3.016 1.00 0.22 C ATOM 927 ND1 HIS A 61 -3.501 4.298 -2.409 1.00 0.23 N ATOM 928 CD2 HIS A 61 -5.269 5.517 -2.035 1.00 0.26 C ATOM 929 CE1 HIS A 61 -3.542 4.534 -1.118 1.00 0.28 C ATOM 930 NE2 HIS A 61 -4.605 5.273 -0.861 1.00 0.30 N ATOM 0 H HIS A 61 -3.555 3.923 -6.366 1.00 0.16 H new ATOM 0 HA HIS A 61 -4.450 6.521 -5.724 1.00 0.16 H new ATOM 0 HB2 HIS A 61 -5.834 5.128 -4.692 1.00 0.20 H new ATOM 0 HB3 HIS A 61 -4.703 3.794 -4.804 1.00 0.20 H new ATOM 0 HD2 HIS A 61 -6.176 6.091 -2.153 1.00 0.26 H new ATOM 0 HE1 HIS A 61 -2.827 4.183 -0.389 1.00 0.28 H new ATOM 0 HE2 HIS A 61 -4.886 5.608 0.061 1.00 0.30 H new ATOM 939 N ILE A 62 -1.702 5.471 -4.290 1.00 0.14 N ATOM 940 CA ILE A 62 -0.529 5.877 -3.548 1.00 0.13 C ATOM 941 C ILE A 62 0.175 7.006 -4.283 1.00 0.11 C ATOM 942 O ILE A 62 0.834 7.840 -3.671 1.00 0.12 O ATOM 943 CB ILE A 62 0.440 4.699 -3.355 1.00 0.14 C ATOM 944 CG1 ILE A 62 -0.189 3.650 -2.441 1.00 0.18 C ATOM 945 CG2 ILE A 62 1.771 5.185 -2.801 1.00 0.14 C ATOM 946 CD1 ILE A 62 -0.322 4.082 -0.995 1.00 0.75 C ATOM 0 H ILE A 62 -1.659 4.519 -4.655 1.00 0.14 H new ATOM 0 HA ILE A 62 -0.848 6.221 -2.564 1.00 0.13 H new ATOM 0 HB ILE A 62 0.634 4.238 -4.323 1.00 0.14 H new ATOM 0 HG12 ILE A 62 -1.177 3.397 -2.825 1.00 0.18 H new ATOM 0 HG13 ILE A 62 0.412 2.741 -2.483 1.00 0.18 H new ATOM 0 HG21 ILE A 62 2.443 4.336 -2.672 1.00 0.14 H new ATOM 0 HG22 ILE A 62 2.216 5.897 -3.496 1.00 0.14 H new ATOM 0 HG23 ILE A 62 1.609 5.670 -1.838 1.00 0.14 H new ATOM 0 HD11 ILE A 62 -0.778 3.279 -0.416 1.00 0.75 H new ATOM 0 HD12 ILE A 62 0.665 4.307 -0.590 1.00 0.75 H new ATOM 0 HD13 ILE A 62 -0.949 4.972 -0.937 1.00 0.75 H new ATOM 958 N GLU A 63 0.037 7.016 -5.608 1.00 0.12 N ATOM 959 CA GLU A 63 0.633 8.065 -6.421 1.00 0.13 C ATOM 960 C GLU A 63 -0.124 9.360 -6.185 1.00 0.12 C ATOM 961 O GLU A 63 0.469 10.437 -6.132 1.00 0.11 O ATOM 962 CB GLU A 63 0.621 7.691 -7.904 1.00 0.17 C ATOM 963 CG GLU A 63 1.595 6.582 -8.252 1.00 0.17 C ATOM 964 CD GLU A 63 1.613 6.258 -9.732 1.00 0.21 C ATOM 965 OE1 GLU A 63 2.291 6.984 -10.489 1.00 0.80 O ATOM 966 OE2 GLU A 63 0.950 5.279 -10.134 1.00 0.70 O ATOM 0 H GLU A 63 -0.480 6.312 -6.135 1.00 0.12 H new ATOM 0 HA GLU A 63 1.676 8.193 -6.130 1.00 0.13 H new ATOM 0 HB2 GLU A 63 -0.386 7.382 -8.185 1.00 0.17 H new ATOM 0 HB3 GLU A 63 0.861 8.574 -8.496 1.00 0.17 H new ATOM 0 HG2 GLU A 63 2.597 6.873 -7.936 1.00 0.17 H new ATOM 0 HG3 GLU A 63 1.332 5.685 -7.692 1.00 0.17 H new ATOM 973 N GLN A 64 -1.445 9.244 -6.049 1.00 0.14 N ATOM 974 CA GLN A 64 -2.276 10.405 -5.764 1.00 0.14 C ATOM 975 C GLN A 64 -1.765 11.046 -4.483 1.00 0.11 C ATOM 976 O GLN A 64 -1.521 12.258 -4.415 1.00 0.10 O ATOM 977 CB GLN A 64 -3.743 9.995 -5.613 1.00 0.18 C ATOM 978 CG GLN A 64 -4.674 11.156 -5.305 1.00 0.91 C ATOM 979 CD GLN A 64 -6.129 10.736 -5.245 1.00 1.57 C ATOM 980 OE1 GLN A 64 -6.833 10.755 -6.255 1.00 2.40 O ATOM 981 NE2 GLN A 64 -6.588 10.351 -4.061 1.00 2.11 N ATOM 0 H GLN A 64 -1.955 8.365 -6.131 1.00 0.14 H new ATOM 0 HA GLN A 64 -2.219 11.117 -6.588 1.00 0.14 H new ATOM 0 HB2 GLN A 64 -4.072 9.511 -6.533 1.00 0.18 H new ATOM 0 HB3 GLN A 64 -3.824 9.255 -4.817 1.00 0.18 H new ATOM 0 HG2 GLN A 64 -4.389 11.603 -4.352 1.00 0.91 H new ATOM 0 HG3 GLN A 64 -4.553 11.926 -6.067 1.00 0.91 H new ATOM 0 HE21 GLN A 64 -5.970 10.351 -3.250 1.00 2.11 H new ATOM 0 HE22 GLN A 64 -7.559 10.055 -3.962 1.00 2.11 H new ATOM 990 N PHE A 65 -1.596 10.218 -3.457 1.00 0.11 N ATOM 991 CA PHE A 65 -1.056 10.708 -2.205 1.00 0.11 C ATOM 992 C PHE A 65 0.330 11.292 -2.475 1.00 0.10 C ATOM 993 O PHE A 65 0.614 12.431 -2.129 1.00 0.12 O ATOM 994 CB PHE A 65 -0.959 9.590 -1.157 1.00 0.14 C ATOM 995 CG PHE A 65 0.397 9.501 -0.524 1.00 0.14 C ATOM 996 CD1 PHE A 65 0.872 10.540 0.249 1.00 0.16 C ATOM 997 CD2 PHE A 65 1.175 8.359 -0.664 1.00 0.14 C ATOM 998 CE1 PHE A 65 2.096 10.451 0.865 1.00 0.18 C ATOM 999 CE2 PHE A 65 2.398 8.263 -0.042 1.00 0.16 C ATOM 1000 CZ PHE A 65 2.936 9.365 0.564 1.00 0.16 C ATOM 0 H PHE A 65 -1.822 9.223 -3.471 1.00 0.11 H new ATOM 0 HA PHE A 65 -1.723 11.472 -1.805 1.00 0.11 H new ATOM 0 HB2 PHE A 65 -1.706 9.760 -0.382 1.00 0.14 H new ATOM 0 HB3 PHE A 65 -1.198 8.636 -1.627 1.00 0.14 H new ATOM 0 HD1 PHE A 65 0.276 11.432 0.371 1.00 0.16 H new ATOM 0 HD2 PHE A 65 0.816 7.538 -1.267 1.00 0.14 H new ATOM 0 HE1 PHE A 65 2.409 11.206 1.571 1.00 0.18 H new ATOM 0 HE2 PHE A 65 2.930 7.323 -0.032 1.00 0.16 H new ATOM 0 HZ PHE A 65 3.988 9.400 0.807 1.00 0.16 H new ATOM 1010 N LEU A 66 1.195 10.491 -3.096 1.00 0.09 N ATOM 1011 CA LEU A 66 2.547 10.931 -3.398 1.00 0.10 C ATOM 1012 C LEU A 66 2.507 12.225 -4.198 1.00 0.11 C ATOM 1013 O LEU A 66 3.503 12.938 -4.302 1.00 0.17 O ATOM 1014 CB LEU A 66 3.330 9.835 -4.129 1.00 0.11 C ATOM 1015 CG LEU A 66 3.860 8.713 -3.223 1.00 0.10 C ATOM 1016 CD1 LEU A 66 4.543 7.634 -4.048 1.00 0.12 C ATOM 1017 CD2 LEU A 66 4.823 9.260 -2.172 1.00 0.08 C ATOM 0 H LEU A 66 0.981 9.540 -3.396 1.00 0.09 H new ATOM 0 HA LEU A 66 3.071 11.128 -2.463 1.00 0.10 H new ATOM 0 HB2 LEU A 66 2.687 9.395 -4.891 1.00 0.11 H new ATOM 0 HB3 LEU A 66 4.172 10.293 -4.648 1.00 0.11 H new ATOM 0 HG LEU A 66 3.006 8.273 -2.707 1.00 0.10 H new ATOM 0 HD11 LEU A 66 4.911 6.849 -3.387 1.00 0.12 H new ATOM 0 HD12 LEU A 66 3.829 7.209 -4.754 1.00 0.12 H new ATOM 0 HD13 LEU A 66 5.379 8.069 -4.595 1.00 0.12 H new ATOM 0 HD21 LEU A 66 5.181 8.443 -1.546 1.00 0.08 H new ATOM 0 HD22 LEU A 66 5.670 9.736 -2.667 1.00 0.08 H new ATOM 0 HD23 LEU A 66 4.307 9.993 -1.552 1.00 0.08 H new ATOM 1029 N ASP A 67 1.345 12.521 -4.776 1.00 0.09 N ATOM 1030 CA ASP A 67 1.173 13.764 -5.501 1.00 0.10 C ATOM 1031 C ASP A 67 0.994 14.873 -4.475 1.00 0.11 C ATOM 1032 O ASP A 67 1.540 15.967 -4.621 1.00 0.13 O ATOM 1033 CB ASP A 67 -0.027 13.701 -6.448 1.00 0.11 C ATOM 1034 CG ASP A 67 -0.130 14.931 -7.331 1.00 0.12 C ATOM 1035 OD1 ASP A 67 -0.760 15.920 -6.900 1.00 0.17 O ATOM 1036 OD2 ASP A 67 0.419 14.904 -8.453 1.00 0.18 O ATOM 0 H ASP A 67 0.521 11.921 -4.754 1.00 0.09 H new ATOM 0 HA ASP A 67 2.048 13.954 -6.122 1.00 0.10 H new ATOM 0 HB2 ASP A 67 0.054 12.813 -7.074 1.00 0.11 H new ATOM 0 HB3 ASP A 67 -0.942 13.598 -5.865 1.00 0.11 H new ATOM 1041 N THR A 68 0.217 14.575 -3.425 1.00 0.10 N ATOM 1042 CA THR A 68 0.006 15.535 -2.339 1.00 0.12 C ATOM 1043 C THR A 68 1.319 15.783 -1.597 1.00 0.13 C ATOM 1044 O THR A 68 2.362 15.243 -1.967 1.00 0.13 O ATOM 1045 CB THR A 68 -1.071 15.064 -1.325 1.00 0.12 C ATOM 1046 OG1 THR A 68 -1.651 16.200 -0.674 1.00 0.14 O ATOM 1047 CG2 THR A 68 -0.496 14.126 -0.267 1.00 0.13 C ATOM 0 H THR A 68 -0.270 13.687 -3.307 1.00 0.10 H new ATOM 0 HA THR A 68 -0.352 16.456 -2.798 1.00 0.12 H new ATOM 0 HB THR A 68 -1.827 14.516 -1.887 1.00 0.12 H new ATOM 0 HG1 THR A 68 -2.331 15.899 -0.036 1.00 0.14 H new ATOM 0 HG21 THR A 68 -1.287 13.823 0.419 1.00 0.13 H new ATOM 0 HG22 THR A 68 -0.079 13.243 -0.751 1.00 0.13 H new ATOM 0 HG23 THR A 68 0.289 14.641 0.288 1.00 0.13 H new ATOM 1055 N ASN A 69 1.265 16.599 -0.550 1.00 0.15 N ATOM 1056 CA ASN A 69 2.455 16.917 0.235 1.00 0.17 C ATOM 1057 C ASN A 69 2.354 16.363 1.656 1.00 0.18 C ATOM 1058 O ASN A 69 3.251 16.564 2.476 1.00 0.20 O ATOM 1059 CB ASN A 69 2.652 18.429 0.280 1.00 0.19 C ATOM 1060 CG ASN A 69 3.173 18.988 -1.030 1.00 0.21 C ATOM 1061 OD1 ASN A 69 3.887 18.309 -1.768 1.00 0.91 O ATOM 1062 ND2 ASN A 69 2.819 20.233 -1.324 1.00 1.16 N ATOM 0 H ASN A 69 0.411 17.053 -0.224 1.00 0.15 H new ATOM 0 HA ASN A 69 3.313 16.448 -0.246 1.00 0.17 H new ATOM 0 HB2 ASN A 69 1.704 18.908 0.524 1.00 0.19 H new ATOM 0 HB3 ASN A 69 3.350 18.677 1.080 1.00 0.19 H new ATOM 0 HD21 ASN A 69 3.140 20.663 -2.191 1.00 1.16 H new ATOM 0 HD22 ASN A 69 2.225 20.759 -0.683 1.00 1.16 H new ATOM 1069 N GLU A 70 1.260 15.667 1.936 1.00 0.17 N ATOM 1070 CA GLU A 70 1.027 15.088 3.259 1.00 0.19 C ATOM 1071 C GLU A 70 1.798 13.780 3.428 1.00 0.17 C ATOM 1072 O GLU A 70 1.910 12.997 2.487 1.00 0.22 O ATOM 1073 CB GLU A 70 -0.469 14.829 3.445 1.00 0.21 C ATOM 1074 CG GLU A 70 -1.356 15.908 2.838 1.00 0.22 C ATOM 1075 CD GLU A 70 -1.594 17.069 3.786 1.00 0.30 C ATOM 1076 OE1 GLU A 70 -2.516 16.971 4.623 1.00 0.73 O ATOM 1077 OE2 GLU A 70 -0.859 18.074 3.689 1.00 0.76 O ATOM 0 H GLU A 70 0.515 15.487 1.263 1.00 0.17 H new ATOM 0 HA GLU A 70 1.379 15.793 4.012 1.00 0.19 H new ATOM 0 HB2 GLU A 70 -0.721 13.868 2.996 1.00 0.21 H new ATOM 0 HB3 GLU A 70 -0.686 14.750 4.510 1.00 0.21 H new ATOM 0 HG2 GLU A 70 -0.895 16.280 1.923 1.00 0.22 H new ATOM 0 HG3 GLU A 70 -2.314 15.470 2.558 1.00 0.22 H new ATOM 1084 N THR A 71 2.329 13.543 4.630 1.00 0.12 N ATOM 1085 CA THR A 71 3.075 12.314 4.894 1.00 0.10 C ATOM 1086 C THR A 71 2.276 11.260 5.676 1.00 0.13 C ATOM 1087 O THR A 71 2.723 10.126 5.761 1.00 0.13 O ATOM 1088 CB THR A 71 4.398 12.565 5.632 1.00 0.09 C ATOM 1089 OG1 THR A 71 4.172 13.355 6.806 1.00 0.12 O ATOM 1090 CG2 THR A 71 5.398 13.257 4.721 1.00 0.11 C ATOM 0 H THR A 71 2.257 14.178 5.425 1.00 0.12 H new ATOM 0 HA THR A 71 3.283 11.922 3.898 1.00 0.10 H new ATOM 0 HB THR A 71 4.811 11.601 5.930 1.00 0.09 H new ATOM 0 HG1 THR A 71 5.023 13.506 7.268 1.00 0.12 H new ATOM 0 HG21 THR A 71 6.328 13.426 5.263 1.00 0.11 H new ATOM 0 HG22 THR A 71 5.593 12.629 3.852 1.00 0.11 H new ATOM 0 HG23 THR A 71 4.991 14.213 4.394 1.00 0.11 H new ATOM 1098 N PRO A 72 1.125 11.581 6.307 1.00 0.17 N ATOM 1099 CA PRO A 72 0.336 10.560 6.998 1.00 0.23 C ATOM 1100 C PRO A 72 0.247 9.309 6.160 1.00 0.17 C ATOM 1101 O PRO A 72 0.237 8.183 6.656 1.00 0.17 O ATOM 1102 CB PRO A 72 -1.042 11.198 7.056 1.00 0.37 C ATOM 1103 CG PRO A 72 -0.773 12.653 7.186 1.00 0.32 C ATOM 1104 CD PRO A 72 0.510 12.918 6.436 1.00 0.18 C ATOM 0 HA PRO A 72 0.753 10.279 7.965 1.00 0.23 H new ATOM 0 HB2 PRO A 72 -1.619 10.980 6.157 1.00 0.37 H new ATOM 0 HB3 PRO A 72 -1.617 10.824 7.903 1.00 0.37 H new ATOM 0 HG2 PRO A 72 -1.594 13.238 6.771 1.00 0.32 H new ATOM 0 HG3 PRO A 72 -0.676 12.938 8.234 1.00 0.32 H new ATOM 0 HD2 PRO A 72 0.318 13.366 5.461 1.00 0.18 H new ATOM 0 HD3 PRO A 72 1.157 13.605 6.981 1.00 0.18 H new ATOM 1112 N TYR A 73 0.183 9.559 4.870 1.00 0.16 N ATOM 1113 CA TYR A 73 0.055 8.535 3.869 1.00 0.16 C ATOM 1114 C TYR A 73 1.406 7.971 3.408 1.00 0.13 C ATOM 1115 O TYR A 73 1.430 6.941 2.759 1.00 0.16 O ATOM 1116 CB TYR A 73 -0.733 9.115 2.697 1.00 0.18 C ATOM 1117 CG TYR A 73 -2.036 9.751 3.131 1.00 0.25 C ATOM 1118 CD1 TYR A 73 -2.952 9.054 3.909 1.00 0.96 C ATOM 1119 CD2 TYR A 73 -2.348 11.054 2.758 1.00 1.03 C ATOM 1120 CE1 TYR A 73 -4.142 9.637 4.303 1.00 0.96 C ATOM 1121 CE2 TYR A 73 -3.535 11.643 3.152 1.00 1.09 C ATOM 1122 CZ TYR A 73 -4.434 10.912 3.931 1.00 0.41 C ATOM 1123 OH TYR A 73 -5.611 11.514 4.316 1.00 0.50 O ATOM 0 H TYR A 73 0.220 10.503 4.485 1.00 0.16 H new ATOM 0 HA TYR A 73 -0.475 7.687 4.304 1.00 0.16 H new ATOM 0 HB2 TYR A 73 -0.122 9.859 2.186 1.00 0.18 H new ATOM 0 HB3 TYR A 73 -0.941 8.324 1.977 1.00 0.18 H new ATOM 0 HD1 TYR A 73 -2.731 8.041 4.211 1.00 0.96 H new ATOM 0 HD2 TYR A 73 -1.652 11.614 2.151 1.00 1.03 H new ATOM 0 HE1 TYR A 73 -4.841 9.079 4.908 1.00 0.96 H new ATOM 0 HE2 TYR A 73 -3.764 12.657 2.860 1.00 1.09 H new ATOM 0 HH TYR A 73 -5.645 12.425 3.957 1.00 0.50 H new ATOM 1133 N PHE A 74 2.527 8.642 3.706 1.00 0.11 N ATOM 1134 CA PHE A 74 3.833 8.127 3.270 1.00 0.10 C ATOM 1135 C PHE A 74 4.211 6.853 4.033 1.00 0.09 C ATOM 1136 O PHE A 74 4.671 5.876 3.432 1.00 0.08 O ATOM 1137 CB PHE A 74 4.926 9.234 3.283 1.00 0.11 C ATOM 1138 CG PHE A 74 5.797 9.414 4.508 1.00 0.11 C ATOM 1139 CD1 PHE A 74 5.248 9.163 5.759 1.00 0.73 C ATOM 1140 CD2 PHE A 74 7.127 9.781 4.439 1.00 0.73 C ATOM 1141 CE1 PHE A 74 6.003 9.283 6.907 1.00 0.73 C ATOM 1142 CE2 PHE A 74 7.891 9.898 5.589 1.00 0.75 C ATOM 1143 CZ PHE A 74 7.465 9.835 6.697 1.00 0.17 C ATOM 0 H PHE A 74 2.559 9.516 4.231 1.00 0.11 H new ATOM 0 HA PHE A 74 3.754 7.827 2.225 1.00 0.10 H new ATOM 0 HB2 PHE A 74 5.588 9.048 2.437 1.00 0.11 H new ATOM 0 HB3 PHE A 74 4.428 10.185 3.095 1.00 0.11 H new ATOM 0 HD1 PHE A 74 4.212 8.869 5.834 1.00 0.73 H new ATOM 0 HD2 PHE A 74 7.577 9.979 3.477 1.00 0.73 H new ATOM 0 HE1 PHE A 74 5.620 9.018 7.881 1.00 0.73 H new ATOM 0 HE2 PHE A 74 8.952 10.058 5.470 1.00 0.75 H new ATOM 0 HZ PHE A 74 8.065 10.148 7.539 1.00 0.17 H new ATOM 1153 N MET A 75 3.974 6.835 5.336 1.00 0.09 N ATOM 1154 CA MET A 75 4.250 5.641 6.121 1.00 0.09 C ATOM 1155 C MET A 75 3.148 4.647 5.828 1.00 0.09 C ATOM 1156 O MET A 75 3.370 3.439 5.728 1.00 0.11 O ATOM 1157 CB MET A 75 4.308 5.946 7.621 1.00 0.14 C ATOM 1158 CG MET A 75 3.739 7.304 8.005 1.00 0.30 C ATOM 1159 SD MET A 75 3.134 7.351 9.704 1.00 0.52 S ATOM 1160 CE MET A 75 1.793 6.166 9.620 1.00 1.81 C ATOM 0 H MET A 75 3.597 7.621 5.866 1.00 0.09 H new ATOM 0 HA MET A 75 5.226 5.239 5.848 1.00 0.09 H new ATOM 0 HB2 MET A 75 3.762 5.171 8.159 1.00 0.14 H new ATOM 0 HB3 MET A 75 5.345 5.893 7.951 1.00 0.14 H new ATOM 0 HG2 MET A 75 4.509 8.065 7.877 1.00 0.30 H new ATOM 0 HG3 MET A 75 2.924 7.557 7.327 1.00 0.30 H new ATOM 0 HE1 MET A 75 1.036 6.419 10.363 1.00 1.81 H new ATOM 0 HE2 MET A 75 1.348 6.190 8.625 1.00 1.81 H new ATOM 0 HE3 MET A 75 2.178 5.166 9.821 1.00 1.81 H new ATOM 1170 N LYS A 76 1.950 5.186 5.682 1.00 0.09 N ATOM 1171 CA LYS A 76 0.793 4.390 5.349 1.00 0.10 C ATOM 1172 C LYS A 76 0.967 3.855 3.934 1.00 0.10 C ATOM 1173 O LYS A 76 0.387 2.835 3.563 1.00 0.11 O ATOM 1174 CB LYS A 76 -0.466 5.238 5.473 1.00 0.11 C ATOM 1175 CG LYS A 76 -1.753 4.471 5.286 1.00 0.18 C ATOM 1176 CD LYS A 76 -2.595 5.092 4.192 1.00 0.19 C ATOM 1177 CE LYS A 76 -1.919 4.973 2.847 1.00 0.33 C ATOM 1178 NZ LYS A 76 -0.917 6.040 2.619 1.00 0.96 N ATOM 0 H LYS A 76 1.758 6.182 5.791 1.00 0.09 H new ATOM 0 HA LYS A 76 0.694 3.549 6.035 1.00 0.10 H new ATOM 0 HB2 LYS A 76 -0.477 5.709 6.456 1.00 0.11 H new ATOM 0 HB3 LYS A 76 -0.424 6.040 4.736 1.00 0.11 H new ATOM 0 HG2 LYS A 76 -1.530 3.434 5.035 1.00 0.18 H new ATOM 0 HG3 LYS A 76 -2.314 4.460 6.221 1.00 0.18 H new ATOM 0 HD2 LYS A 76 -3.568 4.603 4.157 1.00 0.19 H new ATOM 0 HD3 LYS A 76 -2.774 6.143 4.420 1.00 0.19 H new ATOM 0 HE2 LYS A 76 -1.432 4.000 2.773 1.00 0.33 H new ATOM 0 HE3 LYS A 76 -2.673 5.013 2.060 1.00 0.33 H new ATOM 0 HZ1 LYS A 76 -0.606 6.018 1.627 1.00 0.96 H new ATOM 0 HZ2 LYS A 76 -1.342 6.966 2.828 1.00 0.96 H new ATOM 0 HZ3 LYS A 76 -0.099 5.887 3.242 1.00 0.96 H new ATOM 1192 N SER A 77 1.780 4.566 3.141 1.00 0.09 N ATOM 1193 CA SER A 77 2.076 4.137 1.783 1.00 0.09 C ATOM 1194 C SER A 77 2.920 2.899 1.896 1.00 0.08 C ATOM 1195 O SER A 77 2.695 1.904 1.212 1.00 0.09 O ATOM 1196 CB SER A 77 2.839 5.200 0.986 1.00 0.10 C ATOM 1197 OG SER A 77 4.238 5.046 1.135 1.00 0.10 O ATOM 0 H SER A 77 2.238 5.434 3.421 1.00 0.09 H new ATOM 0 HA SER A 77 1.142 3.957 1.250 1.00 0.09 H new ATOM 0 HB2 SER A 77 2.573 5.128 -0.069 1.00 0.10 H new ATOM 0 HB3 SER A 77 2.542 6.193 1.323 1.00 0.10 H new ATOM 0 HG SER A 77 4.565 5.670 1.816 1.00 0.10 H new ATOM 1203 N ILE A 78 3.914 2.979 2.776 1.00 0.09 N ATOM 1204 CA ILE A 78 4.766 1.841 3.031 1.00 0.09 C ATOM 1205 C ILE A 78 3.886 0.667 3.430 1.00 0.11 C ATOM 1206 O ILE A 78 4.129 -0.470 3.038 1.00 0.12 O ATOM 1207 CB ILE A 78 5.804 2.137 4.144 1.00 0.08 C ATOM 1208 CG1 ILE A 78 7.204 1.769 3.663 1.00 0.11 C ATOM 1209 CG2 ILE A 78 5.469 1.386 5.424 1.00 0.09 C ATOM 1210 CD1 ILE A 78 7.657 2.599 2.489 1.00 0.13 C ATOM 0 H ILE A 78 4.141 3.814 3.315 1.00 0.09 H new ATOM 0 HA ILE A 78 5.328 1.608 2.126 1.00 0.09 H new ATOM 0 HB ILE A 78 5.772 3.204 4.365 1.00 0.08 H new ATOM 0 HG12 ILE A 78 7.910 1.894 4.484 1.00 0.11 H new ATOM 0 HG13 ILE A 78 7.222 0.715 3.385 1.00 0.11 H new ATOM 0 HG21 ILE A 78 6.215 1.614 6.185 1.00 0.09 H new ATOM 0 HG22 ILE A 78 4.484 1.691 5.778 1.00 0.09 H new ATOM 0 HG23 ILE A 78 5.468 0.314 5.227 1.00 0.09 H new ATOM 0 HD11 ILE A 78 8.660 2.292 2.191 1.00 0.13 H new ATOM 0 HD12 ILE A 78 6.971 2.454 1.655 1.00 0.13 H new ATOM 0 HD13 ILE A 78 7.669 3.652 2.771 1.00 0.13 H new ATOM 1222 N ASP A 79 2.844 0.970 4.203 1.00 0.11 N ATOM 1223 CA ASP A 79 1.901 -0.044 4.647 1.00 0.13 C ATOM 1224 C ASP A 79 1.180 -0.660 3.452 1.00 0.13 C ATOM 1225 O ASP A 79 0.984 -1.875 3.400 1.00 0.16 O ATOM 1226 CB ASP A 79 0.898 0.555 5.631 1.00 0.13 C ATOM 1227 CG ASP A 79 1.365 0.457 7.070 1.00 0.15 C ATOM 1228 OD1 ASP A 79 1.072 -0.568 7.720 1.00 0.68 O ATOM 1229 OD2 ASP A 79 2.022 1.405 7.548 1.00 0.69 O ATOM 0 H ASP A 79 2.635 1.912 4.533 1.00 0.11 H new ATOM 0 HA ASP A 79 2.454 -0.832 5.158 1.00 0.13 H new ATOM 0 HB2 ASP A 79 0.727 1.602 5.379 1.00 0.13 H new ATOM 0 HB3 ASP A 79 -0.058 0.042 5.527 1.00 0.13 H new ATOM 1234 N CYS A 80 0.768 0.177 2.498 1.00 0.14 N ATOM 1235 CA CYS A 80 0.104 -0.326 1.300 1.00 0.16 C ATOM 1236 C CYS A 80 1.063 -1.263 0.591 1.00 0.14 C ATOM 1237 O CYS A 80 0.684 -2.327 0.081 1.00 0.13 O ATOM 1238 CB CYS A 80 -0.274 0.810 0.353 1.00 0.23 C ATOM 1239 SG CYS A 80 1.001 1.176 -0.875 1.00 0.65 S ATOM 0 H CYS A 80 0.881 1.190 2.532 1.00 0.14 H new ATOM 0 HA CYS A 80 -0.812 -0.840 1.591 1.00 0.16 H new ATOM 0 HB2 CYS A 80 -1.200 0.551 -0.161 1.00 0.23 H new ATOM 0 HB3 CYS A 80 -0.474 1.708 0.937 1.00 0.23 H new ATOM 0 HG CYS A 80 2.102 1.511 -0.271 1.00 0.65 H new ATOM 1245 N ILE A 81 2.324 -0.836 0.556 1.00 0.16 N ATOM 1246 CA ILE A 81 3.366 -1.627 -0.046 1.00 0.17 C ATOM 1247 C ILE A 81 3.393 -2.966 0.662 1.00 0.17 C ATOM 1248 O ILE A 81 3.522 -4.021 0.045 1.00 0.19 O ATOM 1249 CB ILE A 81 4.752 -0.950 0.076 1.00 0.18 C ATOM 1250 CG1 ILE A 81 4.953 0.096 -1.023 1.00 0.18 C ATOM 1251 CG2 ILE A 81 5.862 -1.988 0.029 1.00 0.20 C ATOM 1252 CD1 ILE A 81 5.453 1.426 -0.504 1.00 0.32 C ATOM 0 H ILE A 81 2.637 0.055 0.941 1.00 0.16 H new ATOM 0 HA ILE A 81 3.156 -1.741 -1.110 1.00 0.17 H new ATOM 0 HB ILE A 81 4.792 -0.442 1.039 1.00 0.18 H new ATOM 0 HG12 ILE A 81 5.662 -0.289 -1.755 1.00 0.18 H new ATOM 0 HG13 ILE A 81 4.008 0.250 -1.545 1.00 0.18 H new ATOM 0 HG21 ILE A 81 6.828 -1.491 0.116 1.00 0.20 H new ATOM 0 HG22 ILE A 81 5.739 -2.690 0.854 1.00 0.20 H new ATOM 0 HG23 ILE A 81 5.816 -2.528 -0.917 1.00 0.20 H new ATOM 0 HD11 ILE A 81 5.573 2.119 -1.336 1.00 0.32 H new ATOM 0 HD12 ILE A 81 4.734 1.833 0.207 1.00 0.32 H new ATOM 0 HD13 ILE A 81 6.413 1.285 -0.008 1.00 0.32 H new ATOM 1264 N ARG A 82 3.249 -2.889 1.981 1.00 0.18 N ATOM 1265 CA ARG A 82 3.217 -4.060 2.836 1.00 0.20 C ATOM 1266 C ARG A 82 1.963 -4.879 2.537 1.00 0.26 C ATOM 1267 O ARG A 82 1.931 -6.091 2.749 1.00 0.36 O ATOM 1268 CB ARG A 82 3.221 -3.623 4.308 1.00 0.18 C ATOM 1269 CG ARG A 82 4.588 -3.644 4.973 1.00 0.18 C ATOM 1270 CD ARG A 82 5.434 -2.440 4.584 1.00 0.16 C ATOM 1271 NE ARG A 82 6.736 -2.451 5.247 1.00 0.33 N ATOM 1272 CZ ARG A 82 7.690 -3.340 4.990 1.00 0.92 C ATOM 1273 NH1 ARG A 82 7.497 -4.283 4.076 1.00 2.05 N ATOM 1274 NH2 ARG A 82 8.843 -3.284 5.644 1.00 0.85 N ATOM 0 H ARG A 82 3.151 -2.007 2.484 1.00 0.18 H new ATOM 0 HA ARG A 82 4.097 -4.674 2.644 1.00 0.20 H new ATOM 0 HB2 ARG A 82 2.815 -2.614 4.374 1.00 0.18 H new ATOM 0 HB3 ARG A 82 2.550 -4.274 4.868 1.00 0.18 H new ATOM 0 HG2 ARG A 82 4.463 -3.664 6.056 1.00 0.18 H new ATOM 0 HG3 ARG A 82 5.111 -4.559 4.695 1.00 0.18 H new ATOM 0 HD2 ARG A 82 5.577 -2.431 3.503 1.00 0.16 H new ATOM 0 HD3 ARG A 82 4.903 -1.524 4.843 1.00 0.16 H new ATOM 0 HE ARG A 82 6.924 -1.734 5.948 1.00 0.33 H new ATOM 0 HH11 ARG A 82 6.614 -4.327 3.568 1.00 2.05 H new ATOM 0 HH12 ARG A 82 8.232 -4.963 3.882 1.00 2.05 H new ATOM 0 HH21 ARG A 82 8.997 -2.559 6.344 1.00 0.85 H new ATOM 0 HH22 ARG A 82 9.575 -3.966 5.447 1.00 0.85 H new ATOM 1288 N ALA A 83 0.929 -4.197 2.038 1.00 0.22 N ATOM 1289 CA ALA A 83 -0.334 -4.848 1.701 1.00 0.27 C ATOM 1290 C ALA A 83 -0.169 -5.808 0.539 1.00 0.31 C ATOM 1291 O ALA A 83 -0.408 -7.006 0.679 1.00 0.40 O ATOM 1292 CB ALA A 83 -1.395 -3.819 1.350 1.00 0.25 C ATOM 0 H ALA A 83 0.944 -3.193 1.859 1.00 0.22 H new ATOM 0 HA ALA A 83 -0.650 -5.410 2.580 1.00 0.27 H new ATOM 0 HB1 ALA A 83 -2.327 -4.327 1.103 1.00 0.25 H new ATOM 0 HB2 ALA A 83 -1.557 -3.158 2.202 1.00 0.25 H new ATOM 0 HB3 ALA A 83 -1.063 -3.232 0.494 1.00 0.25 H new ATOM 1298 N PHE A 84 0.251 -5.285 -0.608 1.00 0.30 N ATOM 1299 CA PHE A 84 0.421 -6.132 -1.783 1.00 0.40 C ATOM 1300 C PHE A 84 1.689 -6.972 -1.689 1.00 0.36 C ATOM 1301 O PHE A 84 1.861 -7.934 -2.437 1.00 0.36 O ATOM 1302 CB PHE A 84 0.380 -5.324 -3.090 1.00 0.65 C ATOM 1303 CG PHE A 84 1.320 -4.153 -3.177 1.00 1.18 C ATOM 1304 CD1 PHE A 84 2.655 -4.272 -2.841 1.00 2.05 C ATOM 1305 CD2 PHE A 84 0.857 -2.930 -3.631 1.00 2.00 C ATOM 1306 CE1 PHE A 84 3.507 -3.196 -2.954 1.00 3.01 C ATOM 1307 CE2 PHE A 84 1.704 -1.847 -3.743 1.00 3.01 C ATOM 1308 CZ PHE A 84 3.033 -1.980 -3.406 1.00 3.37 C ATOM 0 H PHE A 84 0.476 -4.300 -0.749 1.00 0.30 H new ATOM 0 HA PHE A 84 -0.427 -6.816 -1.804 1.00 0.40 H new ATOM 0 HB2 PHE A 84 0.597 -6.000 -3.917 1.00 0.65 H new ATOM 0 HB3 PHE A 84 -0.637 -4.959 -3.235 1.00 0.65 H new ATOM 0 HD1 PHE A 84 3.034 -5.219 -2.486 1.00 2.05 H new ATOM 0 HD2 PHE A 84 -0.183 -2.822 -3.902 1.00 2.00 H new ATOM 0 HE1 PHE A 84 4.548 -3.303 -2.689 1.00 3.01 H new ATOM 0 HE2 PHE A 84 1.326 -0.898 -4.094 1.00 3.01 H new ATOM 0 HZ PHE A 84 3.702 -1.137 -3.495 1.00 3.37 H new ATOM 1318 N ARG A 85 2.578 -6.600 -0.774 1.00 0.39 N ATOM 1319 CA ARG A 85 3.823 -7.332 -0.590 1.00 0.43 C ATOM 1320 C ARG A 85 3.553 -8.779 -0.187 1.00 0.38 C ATOM 1321 O ARG A 85 3.892 -9.715 -0.915 1.00 0.37 O ATOM 1322 CB ARG A 85 4.681 -6.661 0.482 1.00 0.56 C ATOM 1323 CG ARG A 85 5.867 -5.895 -0.075 1.00 0.88 C ATOM 1324 CD ARG A 85 6.658 -5.222 1.032 1.00 0.72 C ATOM 1325 NE ARG A 85 7.953 -4.744 0.560 1.00 1.07 N ATOM 1326 CZ ARG A 85 9.113 -5.091 1.111 1.00 1.14 C ATOM 1327 NH1 ARG A 85 9.139 -5.909 2.156 1.00 1.31 N ATOM 1328 NH2 ARG A 85 10.249 -4.624 0.616 1.00 1.75 N ATOM 0 H ARG A 85 2.460 -5.800 -0.152 1.00 0.39 H new ATOM 0 HA ARG A 85 4.356 -7.325 -1.541 1.00 0.43 H new ATOM 0 HB2 ARG A 85 4.057 -5.978 1.059 1.00 0.56 H new ATOM 0 HB3 ARG A 85 5.044 -7.422 1.173 1.00 0.56 H new ATOM 0 HG2 ARG A 85 6.516 -6.576 -0.626 1.00 0.88 H new ATOM 0 HG3 ARG A 85 5.517 -5.144 -0.783 1.00 0.88 H new ATOM 0 HD2 ARG A 85 6.085 -4.385 1.431 1.00 0.72 H new ATOM 0 HD3 ARG A 85 6.807 -5.925 1.851 1.00 0.72 H new ATOM 0 HE ARG A 85 7.970 -4.108 -0.237 1.00 1.07 H new ATOM 0 HH11 ARG A 85 8.267 -6.274 2.540 1.00 1.31 H new ATOM 0 HH12 ARG A 85 10.031 -6.172 2.575 1.00 1.31 H new ATOM 0 HH21 ARG A 85 10.235 -3.997 -0.189 1.00 1.75 H new ATOM 0 HH22 ARG A 85 11.138 -4.891 1.039 1.00 1.75 H new ATOM 1342 N GLU A 86 2.930 -8.952 0.976 1.00 0.38 N ATOM 1343 CA GLU A 86 2.616 -10.281 1.486 1.00 0.36 C ATOM 1344 C GLU A 86 1.588 -10.976 0.601 1.00 0.31 C ATOM 1345 O GLU A 86 1.661 -12.184 0.384 1.00 0.44 O ATOM 1346 CB GLU A 86 2.096 -10.188 2.921 1.00 0.41 C ATOM 1347 CG GLU A 86 3.100 -9.590 3.892 1.00 1.13 C ATOM 1348 CD GLU A 86 2.578 -9.541 5.314 1.00 1.53 C ATOM 1349 OE1 GLU A 86 1.954 -8.524 5.682 1.00 1.89 O ATOM 1350 OE2 GLU A 86 2.795 -10.520 6.061 1.00 1.91 O ATOM 0 H GLU A 86 2.633 -8.187 1.582 1.00 0.38 H new ATOM 0 HA GLU A 86 3.531 -10.873 1.477 1.00 0.36 H new ATOM 0 HB2 GLU A 86 1.188 -9.585 2.932 1.00 0.41 H new ATOM 0 HB3 GLU A 86 1.820 -11.185 3.264 1.00 0.41 H new ATOM 0 HG2 GLU A 86 4.018 -10.176 3.866 1.00 1.13 H new ATOM 0 HG3 GLU A 86 3.357 -8.581 3.568 1.00 1.13 H new ATOM 1357 N GLU A 87 0.631 -10.205 0.095 1.00 0.18 N ATOM 1358 CA GLU A 87 -0.405 -10.752 -0.771 1.00 0.15 C ATOM 1359 C GLU A 87 0.200 -11.373 -2.026 1.00 0.14 C ATOM 1360 O GLU A 87 -0.222 -12.444 -2.454 1.00 0.14 O ATOM 1361 CB GLU A 87 -1.418 -9.669 -1.148 1.00 0.18 C ATOM 1362 CG GLU A 87 -2.600 -9.573 -0.194 1.00 0.24 C ATOM 1363 CD GLU A 87 -2.189 -9.315 1.245 1.00 0.86 C ATOM 1364 OE1 GLU A 87 -1.631 -10.235 1.876 1.00 1.06 O ATOM 1365 OE2 GLU A 87 -2.416 -8.188 1.736 1.00 1.83 O ATOM 0 H GLU A 87 0.552 -9.203 0.269 1.00 0.18 H new ATOM 0 HA GLU A 87 -0.923 -11.537 -0.220 1.00 0.15 H new ATOM 0 HB2 GLU A 87 -0.910 -8.705 -1.180 1.00 0.18 H new ATOM 0 HB3 GLU A 87 -1.790 -9.867 -2.153 1.00 0.18 H new ATOM 0 HG2 GLU A 87 -3.262 -8.772 -0.525 1.00 0.24 H new ATOM 0 HG3 GLU A 87 -3.172 -10.499 -0.241 1.00 0.24 H new ATOM 1372 N ALA A 88 1.194 -10.706 -2.608 1.00 0.18 N ATOM 1373 CA ALA A 88 1.843 -11.209 -3.816 1.00 0.17 C ATOM 1374 C ALA A 88 2.407 -12.606 -3.599 1.00 0.17 C ATOM 1375 O ALA A 88 2.212 -13.495 -4.427 1.00 0.18 O ATOM 1376 CB ALA A 88 2.941 -10.263 -4.272 1.00 0.19 C ATOM 0 H ALA A 88 1.566 -9.820 -2.265 1.00 0.18 H new ATOM 0 HA ALA A 88 1.085 -11.266 -4.598 1.00 0.17 H new ATOM 0 HB1 ALA A 88 3.410 -10.658 -5.173 1.00 0.19 H new ATOM 0 HB2 ALA A 88 2.512 -9.284 -4.485 1.00 0.19 H new ATOM 0 HB3 ALA A 88 3.689 -10.168 -3.485 1.00 0.19 H new ATOM 1382 N ILE A 89 3.110 -12.793 -2.487 1.00 0.20 N ATOM 1383 CA ILE A 89 3.691 -14.091 -2.174 1.00 0.23 C ATOM 1384 C ILE A 89 2.607 -15.168 -2.169 1.00 0.24 C ATOM 1385 O ILE A 89 2.850 -16.313 -2.555 1.00 0.31 O ATOM 1386 CB ILE A 89 4.428 -14.066 -0.810 1.00 0.28 C ATOM 1387 CG1 ILE A 89 5.770 -14.800 -0.913 1.00 0.74 C ATOM 1388 CG2 ILE A 89 3.572 -14.673 0.299 1.00 0.60 C ATOM 1389 CD1 ILE A 89 5.649 -16.252 -1.326 1.00 1.52 C ATOM 0 H ILE A 89 3.290 -12.068 -1.793 1.00 0.20 H new ATOM 0 HA ILE A 89 4.423 -14.325 -2.947 1.00 0.23 H new ATOM 0 HB ILE A 89 4.616 -13.024 -0.552 1.00 0.28 H new ATOM 0 HG12 ILE A 89 6.402 -14.280 -1.633 1.00 0.74 H new ATOM 0 HG13 ILE A 89 6.275 -14.748 0.051 1.00 0.74 H new ATOM 0 HG21 ILE A 89 4.119 -14.639 1.241 1.00 0.60 H new ATOM 0 HG22 ILE A 89 2.647 -14.105 0.396 1.00 0.60 H new ATOM 0 HG23 ILE A 89 3.338 -15.709 0.052 1.00 0.60 H new ATOM 0 HD11 ILE A 89 6.641 -16.700 -1.376 1.00 1.52 H new ATOM 0 HD12 ILE A 89 5.045 -16.789 -0.595 1.00 1.52 H new ATOM 0 HD13 ILE A 89 5.174 -16.313 -2.305 1.00 1.52 H new ATOM 1401 N LYS A 90 1.410 -14.786 -1.731 1.00 0.24 N ATOM 1402 CA LYS A 90 0.279 -15.706 -1.674 1.00 0.29 C ATOM 1403 C LYS A 90 -0.476 -15.735 -3.001 1.00 0.30 C ATOM 1404 O LYS A 90 -1.186 -16.695 -3.301 1.00 0.43 O ATOM 1405 CB LYS A 90 -0.677 -15.301 -0.551 1.00 0.35 C ATOM 1406 CG LYS A 90 -0.056 -15.355 0.836 1.00 0.33 C ATOM 1407 CD LYS A 90 0.288 -16.780 1.250 1.00 0.66 C ATOM 1408 CE LYS A 90 -0.955 -17.651 1.356 1.00 1.74 C ATOM 1409 NZ LYS A 90 -0.624 -19.050 1.742 1.00 2.42 N ATOM 0 H LYS A 90 1.199 -13.841 -1.409 1.00 0.24 H new ATOM 0 HA LYS A 90 0.671 -16.704 -1.476 1.00 0.29 H new ATOM 0 HB2 LYS A 90 -1.035 -14.289 -0.739 1.00 0.35 H new ATOM 0 HB3 LYS A 90 -1.548 -15.956 -0.574 1.00 0.35 H new ATOM 0 HG2 LYS A 90 0.847 -14.744 0.854 1.00 0.33 H new ATOM 0 HG3 LYS A 90 -0.747 -14.924 1.560 1.00 0.33 H new ATOM 0 HD2 LYS A 90 0.976 -17.214 0.524 1.00 0.66 H new ATOM 0 HD3 LYS A 90 0.805 -16.765 2.209 1.00 0.66 H new ATOM 0 HE2 LYS A 90 -1.636 -17.223 2.092 1.00 1.74 H new ATOM 0 HE3 LYS A 90 -1.479 -17.653 0.400 1.00 1.74 H new ATOM 0 HZ1 LYS A 90 -1.499 -19.609 1.803 1.00 2.42 H new ATOM 0 HZ2 LYS A 90 0.005 -19.468 1.027 1.00 2.42 H new ATOM 0 HZ3 LYS A 90 -0.147 -19.052 2.666 1.00 2.42 H new ATOM 1423 N PHE A 91 -0.319 -14.676 -3.793 1.00 0.18 N ATOM 1424 CA PHE A 91 -0.999 -14.572 -5.078 1.00 0.19 C ATOM 1425 C PHE A 91 -0.061 -14.888 -6.237 1.00 0.20 C ATOM 1426 O PHE A 91 -0.374 -14.603 -7.392 1.00 0.26 O ATOM 1427 CB PHE A 91 -1.610 -13.178 -5.244 1.00 0.21 C ATOM 1428 CG PHE A 91 -2.963 -13.053 -4.601 1.00 0.26 C ATOM 1429 CD1 PHE A 91 -4.098 -13.528 -5.237 1.00 0.83 C ATOM 1430 CD2 PHE A 91 -3.098 -12.450 -3.361 1.00 0.73 C ATOM 1431 CE1 PHE A 91 -5.342 -13.405 -4.648 1.00 0.90 C ATOM 1432 CE2 PHE A 91 -4.338 -12.324 -2.767 1.00 0.74 C ATOM 1433 CZ PHE A 91 -5.469 -12.838 -3.418 1.00 0.43 C ATOM 0 H PHE A 91 0.274 -13.878 -3.565 1.00 0.18 H new ATOM 0 HA PHE A 91 -1.799 -15.312 -5.093 1.00 0.19 H new ATOM 0 HB2 PHE A 91 -0.937 -12.438 -4.811 1.00 0.21 H new ATOM 0 HB3 PHE A 91 -1.695 -12.948 -6.306 1.00 0.21 H new ATOM 0 HD1 PHE A 91 -4.010 -14.000 -6.204 1.00 0.83 H new ATOM 0 HD2 PHE A 91 -2.222 -12.074 -2.853 1.00 0.73 H new ATOM 0 HE1 PHE A 91 -6.219 -13.761 -5.168 1.00 0.90 H new ATOM 0 HE2 PHE A 91 -4.436 -11.834 -1.810 1.00 0.74 H new ATOM 0 HZ PHE A 91 -6.438 -12.784 -2.944 1.00 0.43 H new ATOM 1443 N SER A 92 1.080 -15.494 -5.914 1.00 0.20 N ATOM 1444 CA SER A 92 2.073 -15.864 -6.920 1.00 0.23 C ATOM 1445 C SER A 92 2.271 -14.749 -7.940 1.00 0.27 C ATOM 1446 O SER A 92 1.728 -14.800 -9.045 1.00 0.61 O ATOM 1447 CB SER A 92 1.657 -17.153 -7.629 1.00 0.24 C ATOM 1448 OG SER A 92 1.542 -18.226 -6.708 1.00 0.25 O ATOM 0 H SER A 92 1.340 -15.740 -4.959 1.00 0.20 H new ATOM 0 HA SER A 92 3.021 -16.027 -6.407 1.00 0.23 H new ATOM 0 HB2 SER A 92 0.705 -17.002 -8.137 1.00 0.24 H new ATOM 0 HB3 SER A 92 2.391 -17.404 -8.395 1.00 0.24 H new ATOM 0 HG SER A 92 1.273 -19.039 -7.185 1.00 0.25 H new ATOM 1454 N GLU A 93 3.046 -13.740 -7.560 1.00 0.20 N ATOM 1455 CA GLU A 93 3.311 -12.607 -8.437 1.00 0.18 C ATOM 1456 C GLU A 93 4.670 -11.984 -8.127 1.00 0.18 C ATOM 1457 O GLU A 93 4.774 -11.084 -7.294 1.00 0.19 O ATOM 1458 CB GLU A 93 2.203 -11.561 -8.294 1.00 0.19 C ATOM 1459 CG GLU A 93 1.017 -11.799 -9.216 1.00 0.27 C ATOM 1460 CD GLU A 93 1.384 -11.677 -10.683 1.00 0.74 C ATOM 1461 OE1 GLU A 93 1.841 -12.682 -11.266 1.00 0.96 O ATOM 1462 OE2 GLU A 93 1.217 -10.575 -11.246 1.00 1.46 O ATOM 0 H GLU A 93 3.502 -13.684 -6.649 1.00 0.20 H new ATOM 0 HA GLU A 93 3.329 -12.967 -9.466 1.00 0.18 H new ATOM 0 HB2 GLU A 93 1.854 -11.553 -7.262 1.00 0.19 H new ATOM 0 HB3 GLU A 93 2.618 -10.574 -8.498 1.00 0.19 H new ATOM 0 HG2 GLU A 93 0.610 -12.793 -9.029 1.00 0.27 H new ATOM 0 HG3 GLU A 93 0.230 -11.082 -8.982 1.00 0.27 H new ATOM 1469 N GLU A 94 5.707 -12.475 -8.799 1.00 0.21 N ATOM 1470 CA GLU A 94 7.058 -11.968 -8.592 1.00 0.24 C ATOM 1471 C GLU A 94 7.327 -10.739 -9.454 1.00 0.25 C ATOM 1472 O GLU A 94 7.827 -9.727 -8.961 1.00 0.31 O ATOM 1473 CB GLU A 94 8.093 -13.056 -8.894 1.00 0.28 C ATOM 1474 CG GLU A 94 7.947 -13.675 -10.274 1.00 0.33 C ATOM 1475 CD GLU A 94 9.045 -14.673 -10.584 1.00 0.92 C ATOM 1476 OE1 GLU A 94 10.135 -14.244 -11.015 1.00 1.53 O ATOM 1477 OE2 GLU A 94 8.814 -15.886 -10.397 1.00 1.46 O ATOM 0 H GLU A 94 5.637 -13.222 -9.490 1.00 0.21 H new ATOM 0 HA GLU A 94 7.144 -11.676 -7.545 1.00 0.24 H new ATOM 0 HB2 GLU A 94 9.092 -12.630 -8.801 1.00 0.28 H new ATOM 0 HB3 GLU A 94 8.010 -13.842 -8.143 1.00 0.28 H new ATOM 0 HG2 GLU A 94 6.979 -14.171 -10.345 1.00 0.33 H new ATOM 0 HG3 GLU A 94 7.956 -12.885 -11.025 1.00 0.33 H new ATOM 1484 N GLN A 95 7.002 -10.831 -10.741 1.00 0.25 N ATOM 1485 CA GLN A 95 7.209 -9.714 -11.659 1.00 0.28 C ATOM 1486 C GLN A 95 6.537 -8.462 -11.114 1.00 0.23 C ATOM 1487 O GLN A 95 7.133 -7.382 -11.088 1.00 0.20 O ATOM 1488 CB GLN A 95 6.668 -10.053 -13.051 1.00 0.33 C ATOM 1489 CG GLN A 95 5.227 -10.539 -13.046 1.00 0.73 C ATOM 1490 CD GLN A 95 4.738 -10.926 -14.428 1.00 0.78 C ATOM 1491 OE1 GLN A 95 4.863 -12.078 -14.843 1.00 1.54 O ATOM 1492 NE2 GLN A 95 4.180 -9.961 -15.150 1.00 1.03 N ATOM 0 H GLN A 95 6.596 -11.663 -11.170 1.00 0.25 H new ATOM 0 HA GLN A 95 8.279 -9.527 -11.748 1.00 0.28 H new ATOM 0 HB2 GLN A 95 6.742 -9.169 -13.685 1.00 0.33 H new ATOM 0 HB3 GLN A 95 7.299 -10.820 -13.499 1.00 0.33 H new ATOM 0 HG2 GLN A 95 5.139 -11.397 -12.380 1.00 0.73 H new ATOM 0 HG3 GLN A 95 4.585 -9.756 -12.643 1.00 0.73 H new ATOM 0 HE21 GLN A 95 4.097 -9.020 -14.766 1.00 1.03 H new ATOM 0 HE22 GLN A 95 3.834 -10.161 -16.089 1.00 1.03 H new ATOM 1501 N ARG A 96 5.294 -8.619 -10.679 1.00 0.25 N ATOM 1502 CA ARG A 96 4.540 -7.522 -10.100 1.00 0.22 C ATOM 1503 C ARG A 96 5.355 -6.828 -9.028 1.00 0.20 C ATOM 1504 O ARG A 96 5.345 -5.603 -8.918 1.00 0.26 O ATOM 1505 CB ARG A 96 3.237 -8.043 -9.505 1.00 0.25 C ATOM 1506 CG ARG A 96 2.879 -7.403 -8.189 1.00 0.95 C ATOM 1507 CD ARG A 96 1.728 -6.452 -8.339 1.00 0.63 C ATOM 1508 NE ARG A 96 2.020 -5.139 -7.789 1.00 1.42 N ATOM 1509 CZ ARG A 96 2.229 -4.914 -6.501 1.00 2.22 C ATOM 1510 NH1 ARG A 96 2.207 -5.919 -5.634 1.00 2.57 N ATOM 1511 NH2 ARG A 96 2.464 -3.686 -6.079 1.00 2.99 N ATOM 0 H ARG A 96 4.786 -9.503 -10.718 1.00 0.25 H new ATOM 0 HA ARG A 96 4.312 -6.803 -10.887 1.00 0.22 H new ATOM 0 HB2 ARG A 96 2.428 -7.871 -10.215 1.00 0.25 H new ATOM 0 HB3 ARG A 96 3.316 -9.121 -9.366 1.00 0.25 H new ATOM 0 HG2 ARG A 96 2.623 -8.176 -7.464 1.00 0.95 H new ATOM 0 HG3 ARG A 96 3.744 -6.870 -7.794 1.00 0.95 H new ATOM 0 HD2 ARG A 96 1.477 -6.353 -9.395 1.00 0.63 H new ATOM 0 HD3 ARG A 96 0.851 -6.865 -7.840 1.00 0.63 H new ATOM 0 HE ARG A 96 2.067 -4.347 -8.430 1.00 1.42 H new ATOM 0 HH11 ARG A 96 2.029 -6.869 -5.959 1.00 2.57 H new ATOM 0 HH12 ARG A 96 2.369 -5.741 -4.643 1.00 2.57 H new ATOM 0 HH21 ARG A 96 2.484 -2.913 -6.744 1.00 2.99 H new ATOM 0 HH22 ARG A 96 2.625 -3.510 -5.087 1.00 2.99 H new ATOM 1525 N PHE A 97 6.056 -7.621 -8.237 1.00 0.27 N ATOM 1526 CA PHE A 97 6.842 -7.086 -7.145 1.00 0.31 C ATOM 1527 C PHE A 97 7.920 -6.125 -7.641 1.00 0.25 C ATOM 1528 O PHE A 97 7.926 -4.947 -7.272 1.00 0.22 O ATOM 1529 CB PHE A 97 7.474 -8.221 -6.332 1.00 0.45 C ATOM 1530 CG PHE A 97 7.788 -7.854 -4.908 1.00 0.48 C ATOM 1531 CD1 PHE A 97 8.743 -6.890 -4.627 1.00 0.94 C ATOM 1532 CD2 PHE A 97 7.132 -8.470 -3.854 1.00 1.29 C ATOM 1533 CE1 PHE A 97 9.037 -6.546 -3.321 1.00 0.92 C ATOM 1534 CE2 PHE A 97 7.423 -8.130 -2.546 1.00 1.39 C ATOM 1535 CZ PHE A 97 8.366 -7.188 -2.272 1.00 0.67 C ATOM 0 H PHE A 97 6.096 -8.636 -8.332 1.00 0.27 H new ATOM 0 HA PHE A 97 6.167 -6.522 -6.501 1.00 0.31 H new ATOM 0 HB2 PHE A 97 6.798 -9.076 -6.335 1.00 0.45 H new ATOM 0 HB3 PHE A 97 8.393 -8.539 -6.825 1.00 0.45 H new ATOM 0 HD1 PHE A 97 9.264 -6.402 -5.438 1.00 0.94 H new ATOM 0 HD2 PHE A 97 6.385 -9.224 -4.057 1.00 1.29 H new ATOM 0 HE1 PHE A 97 9.778 -5.789 -3.111 1.00 0.92 H new ATOM 0 HE2 PHE A 97 6.898 -8.615 -1.736 1.00 1.39 H new ATOM 0 HZ PHE A 97 8.597 -6.936 -1.248 1.00 0.67 H new ATOM 1545 N ASN A 98 8.830 -6.617 -8.479 1.00 0.28 N ATOM 1546 CA ASN A 98 9.897 -5.772 -8.999 1.00 0.26 C ATOM 1547 C ASN A 98 9.316 -4.649 -9.838 1.00 0.21 C ATOM 1548 O ASN A 98 9.968 -3.633 -10.070 1.00 0.21 O ATOM 1549 CB ASN A 98 10.895 -6.587 -9.824 1.00 0.34 C ATOM 1550 CG ASN A 98 10.289 -7.136 -11.099 1.00 0.43 C ATOM 1551 OD1 ASN A 98 9.793 -8.259 -11.126 1.00 1.03 O ATOM 1552 ND2 ASN A 98 10.330 -6.342 -12.163 1.00 1.22 N ATOM 0 H ASN A 98 8.849 -7.582 -8.807 1.00 0.28 H new ATOM 0 HA ASN A 98 10.431 -5.342 -8.151 1.00 0.26 H new ATOM 0 HB2 ASN A 98 11.751 -5.960 -10.074 1.00 0.34 H new ATOM 0 HB3 ASN A 98 11.270 -7.413 -9.220 1.00 0.34 H new ATOM 0 HD21 ASN A 98 9.939 -6.658 -13.050 1.00 1.22 H new ATOM 0 HD22 ASN A 98 10.753 -5.416 -12.093 1.00 1.22 H new ATOM 1559 N ASN A 99 8.081 -4.829 -10.291 1.00 0.18 N ATOM 1560 CA ASN A 99 7.435 -3.814 -11.100 1.00 0.20 C ATOM 1561 C ASN A 99 6.981 -2.641 -10.241 1.00 0.19 C ATOM 1562 O ASN A 99 7.300 -1.498 -10.546 1.00 0.24 O ATOM 1563 CB ASN A 99 6.251 -4.410 -11.866 1.00 0.22 C ATOM 1564 CG ASN A 99 5.920 -3.636 -13.130 1.00 0.63 C ATOM 1565 OD1 ASN A 99 5.445 -4.208 -14.112 1.00 1.41 O ATOM 1566 ND2 ASN A 99 6.167 -2.331 -13.117 1.00 1.14 N ATOM 0 H ASN A 99 7.516 -5.659 -10.112 1.00 0.18 H new ATOM 0 HA ASN A 99 8.162 -3.443 -11.822 1.00 0.20 H new ATOM 0 HB2 ASN A 99 6.476 -5.444 -12.127 1.00 0.22 H new ATOM 0 HB3 ASN A 99 5.376 -4.428 -11.217 1.00 0.22 H new ATOM 0 HD21 ASN A 99 5.963 -1.765 -13.941 1.00 1.14 H new ATOM 0 HD22 ASN A 99 6.561 -1.895 -12.283 1.00 1.14 H new ATOM 1573 N PHE A 100 6.256 -2.916 -9.159 1.00 0.18 N ATOM 1574 CA PHE A 100 5.784 -1.838 -8.294 1.00 0.23 C ATOM 1575 C PHE A 100 6.953 -1.168 -7.607 1.00 0.18 C ATOM 1576 O PHE A 100 6.929 0.031 -7.349 1.00 0.21 O ATOM 1577 CB PHE A 100 4.791 -2.360 -7.240 1.00 0.38 C ATOM 1578 CG PHE A 100 5.433 -2.964 -6.009 1.00 1.36 C ATOM 1579 CD1 PHE A 100 6.032 -2.158 -5.059 1.00 1.99 C ATOM 1580 CD2 PHE A 100 5.433 -4.335 -5.805 1.00 2.09 C ATOM 1581 CE1 PHE A 100 6.616 -2.705 -3.931 1.00 2.95 C ATOM 1582 CE2 PHE A 100 6.010 -4.889 -4.679 1.00 3.08 C ATOM 1583 CZ PHE A 100 6.629 -4.073 -3.754 1.00 3.43 C ATOM 0 H PHE A 100 5.987 -3.855 -8.865 1.00 0.18 H new ATOM 0 HA PHE A 100 5.267 -1.111 -8.921 1.00 0.23 H new ATOM 0 HB2 PHE A 100 4.146 -1.538 -6.930 1.00 0.38 H new ATOM 0 HB3 PHE A 100 4.151 -3.110 -7.704 1.00 0.38 H new ATOM 0 HD1 PHE A 100 6.044 -1.087 -5.199 1.00 1.99 H new ATOM 0 HD2 PHE A 100 4.974 -4.981 -6.539 1.00 2.09 H new ATOM 0 HE1 PHE A 100 7.062 -2.061 -3.188 1.00 2.95 H new ATOM 0 HE2 PHE A 100 5.977 -5.957 -4.523 1.00 3.08 H new ATOM 0 HZ PHE A 100 7.122 -4.504 -2.895 1.00 3.43 H new ATOM 1593 N LEU A 101 7.971 -1.955 -7.308 1.00 0.18 N ATOM 1594 CA LEU A 101 9.144 -1.449 -6.621 1.00 0.21 C ATOM 1595 C LEU A 101 9.967 -0.551 -7.519 1.00 0.20 C ATOM 1596 O LEU A 101 10.285 0.583 -7.148 1.00 0.21 O ATOM 1597 CB LEU A 101 9.993 -2.624 -6.125 1.00 0.28 C ATOM 1598 CG LEU A 101 11.095 -2.307 -5.101 1.00 0.35 C ATOM 1599 CD1 LEU A 101 10.881 -0.957 -4.427 1.00 0.92 C ATOM 1600 CD2 LEU A 101 11.137 -3.415 -4.059 1.00 0.92 C ATOM 0 H LEU A 101 8.008 -2.950 -7.531 1.00 0.18 H new ATOM 0 HA LEU A 101 8.813 -0.852 -5.771 1.00 0.21 H new ATOM 0 HB2 LEU A 101 9.324 -3.363 -5.684 1.00 0.28 H new ATOM 0 HB3 LEU A 101 10.460 -3.093 -6.991 1.00 0.28 H new ATOM 0 HG LEU A 101 12.047 -2.251 -5.630 1.00 0.35 H new ATOM 0 HD11 LEU A 101 11.684 -0.776 -3.712 1.00 0.92 H new ATOM 0 HD12 LEU A 101 10.882 -0.170 -5.181 1.00 0.92 H new ATOM 0 HD13 LEU A 101 9.924 -0.958 -3.905 1.00 0.92 H new ATOM 0 HD21 LEU A 101 11.916 -3.198 -3.328 1.00 0.92 H new ATOM 0 HD22 LEU A 101 10.173 -3.476 -3.554 1.00 0.92 H new ATOM 0 HD23 LEU A 101 11.352 -4.366 -4.547 1.00 0.92 H new ATOM 1612 N LYS A 102 10.294 -1.033 -8.705 1.00 0.20 N ATOM 1613 CA LYS A 102 11.106 -0.243 -9.600 1.00 0.23 C ATOM 1614 C LYS A 102 10.287 0.880 -10.220 1.00 0.22 C ATOM 1615 O LYS A 102 10.839 1.889 -10.658 1.00 0.26 O ATOM 1616 CB LYS A 102 11.745 -1.125 -10.678 1.00 0.27 C ATOM 1617 CG LYS A 102 12.634 -2.239 -10.129 1.00 0.28 C ATOM 1618 CD LYS A 102 13.491 -1.783 -8.951 1.00 0.33 C ATOM 1619 CE LYS A 102 14.398 -0.619 -9.319 1.00 1.44 C ATOM 1620 NZ LYS A 102 15.380 -0.989 -10.376 1.00 2.40 N ATOM 0 H LYS A 102 10.015 -1.947 -9.061 1.00 0.20 H new ATOM 0 HA LYS A 102 11.911 0.210 -9.022 1.00 0.23 H new ATOM 0 HB2 LYS A 102 10.955 -1.570 -11.283 1.00 0.27 H new ATOM 0 HB3 LYS A 102 12.338 -0.496 -11.342 1.00 0.27 H new ATOM 0 HG2 LYS A 102 12.009 -3.076 -9.816 1.00 0.28 H new ATOM 0 HG3 LYS A 102 13.283 -2.606 -10.924 1.00 0.28 H new ATOM 0 HD2 LYS A 102 12.844 -1.490 -8.124 1.00 0.33 H new ATOM 0 HD3 LYS A 102 14.098 -2.618 -8.600 1.00 0.33 H new ATOM 0 HE2 LYS A 102 13.791 0.218 -9.665 1.00 1.44 H new ATOM 0 HE3 LYS A 102 14.932 -0.280 -8.431 1.00 1.44 H new ATOM 0 HZ1 LYS A 102 16.053 -0.208 -10.513 1.00 2.40 H new ATOM 0 HZ2 LYS A 102 15.896 -1.844 -10.086 1.00 2.40 H new ATOM 0 HZ3 LYS A 102 14.877 -1.173 -11.268 1.00 2.40 H new ATOM 1634 N ALA A 103 8.966 0.714 -10.238 1.00 0.19 N ATOM 1635 CA ALA A 103 8.092 1.734 -10.795 1.00 0.21 C ATOM 1636 C ALA A 103 7.812 2.819 -9.770 1.00 0.18 C ATOM 1637 O ALA A 103 7.835 4.009 -10.094 1.00 0.20 O ATOM 1638 CB ALA A 103 6.792 1.133 -11.303 1.00 0.24 C ATOM 0 H ALA A 103 8.485 -0.110 -9.876 1.00 0.19 H new ATOM 0 HA ALA A 103 8.607 2.183 -11.644 1.00 0.21 H new ATOM 0 HB1 ALA A 103 6.162 1.922 -11.713 1.00 0.24 H new ATOM 0 HB2 ALA A 103 7.009 0.401 -12.081 1.00 0.24 H new ATOM 0 HB3 ALA A 103 6.271 0.644 -10.480 1.00 0.24 H new ATOM 1644 N LEU A 104 7.562 2.420 -8.526 1.00 0.16 N ATOM 1645 CA LEU A 104 7.292 3.401 -7.497 1.00 0.16 C ATOM 1646 C LEU A 104 8.552 4.213 -7.251 1.00 0.16 C ATOM 1647 O LEU A 104 8.494 5.433 -7.107 1.00 0.16 O ATOM 1648 CB LEU A 104 6.785 2.742 -6.199 1.00 0.19 C ATOM 1649 CG LEU A 104 7.830 2.024 -5.334 1.00 0.19 C ATOM 1650 CD1 LEU A 104 8.633 3.016 -4.516 1.00 0.23 C ATOM 1651 CD2 LEU A 104 7.153 1.020 -4.417 1.00 0.24 C ATOM 0 H LEU A 104 7.542 1.448 -8.218 1.00 0.16 H new ATOM 0 HA LEU A 104 6.495 4.063 -7.837 1.00 0.16 H new ATOM 0 HB2 LEU A 104 6.311 3.512 -5.590 1.00 0.19 H new ATOM 0 HB3 LEU A 104 6.010 2.022 -6.463 1.00 0.19 H new ATOM 0 HG LEU A 104 8.514 1.496 -5.998 1.00 0.19 H new ATOM 0 HD11 LEU A 104 9.366 2.481 -3.912 1.00 0.23 H new ATOM 0 HD12 LEU A 104 9.148 3.706 -5.184 1.00 0.23 H new ATOM 0 HD13 LEU A 104 7.963 3.575 -3.862 1.00 0.23 H new ATOM 0 HD21 LEU A 104 7.905 0.518 -3.809 1.00 0.24 H new ATOM 0 HD22 LEU A 104 6.448 1.538 -3.767 1.00 0.24 H new ATOM 0 HD23 LEU A 104 6.619 0.282 -5.016 1.00 0.24 H new ATOM 1663 N GLN A 105 9.701 3.533 -7.244 1.00 0.18 N ATOM 1664 CA GLN A 105 10.968 4.204 -7.022 1.00 0.22 C ATOM 1665 C GLN A 105 11.322 5.100 -8.200 1.00 0.24 C ATOM 1666 O GLN A 105 11.617 6.284 -8.011 1.00 0.26 O ATOM 1667 CB GLN A 105 12.076 3.192 -6.742 1.00 0.27 C ATOM 1668 CG GLN A 105 13.456 3.619 -7.219 1.00 0.35 C ATOM 1669 CD GLN A 105 13.985 4.832 -6.478 1.00 1.13 C ATOM 1670 OE1 GLN A 105 13.607 5.092 -5.337 1.00 1.76 O ATOM 1671 NE2 GLN A 105 14.873 5.576 -7.125 1.00 1.92 N ATOM 0 H GLN A 105 9.772 2.526 -7.389 1.00 0.18 H new ATOM 0 HA GLN A 105 10.867 4.839 -6.142 1.00 0.22 H new ATOM 0 HB2 GLN A 105 12.118 3.006 -5.669 1.00 0.27 H new ATOM 0 HB3 GLN A 105 11.817 2.247 -7.219 1.00 0.27 H new ATOM 0 HG2 GLN A 105 14.152 2.790 -7.092 1.00 0.35 H new ATOM 0 HG3 GLN A 105 13.414 3.840 -8.286 1.00 0.35 H new ATOM 0 HE21 GLN A 105 15.158 5.323 -8.071 1.00 1.92 H new ATOM 0 HE22 GLN A 105 15.271 6.401 -6.676 1.00 1.92 H new ATOM 1680 N GLU A 106 11.298 4.553 -9.416 1.00 0.25 N ATOM 1681 CA GLU A 106 11.602 5.368 -10.581 1.00 0.29 C ATOM 1682 C GLU A 106 10.734 6.612 -10.534 1.00 0.29 C ATOM 1683 O GLU A 106 11.160 7.705 -10.909 1.00 0.35 O ATOM 1684 CB GLU A 106 11.369 4.601 -11.885 1.00 0.31 C ATOM 1685 CG GLU A 106 9.905 4.351 -12.185 1.00 0.29 C ATOM 1686 CD GLU A 106 9.686 3.705 -13.539 1.00 0.33 C ATOM 1687 OE1 GLU A 106 9.529 4.445 -14.533 1.00 0.41 O ATOM 1688 OE2 GLU A 106 9.672 2.458 -13.605 1.00 0.31 O ATOM 0 H GLU A 106 11.077 3.577 -9.613 1.00 0.25 H new ATOM 0 HA GLU A 106 12.657 5.641 -10.559 1.00 0.29 H new ATOM 0 HB2 GLU A 106 11.811 5.160 -12.710 1.00 0.31 H new ATOM 0 HB3 GLU A 106 11.890 3.645 -11.833 1.00 0.31 H new ATOM 0 HG2 GLU A 106 9.484 3.711 -11.410 1.00 0.29 H new ATOM 0 HG3 GLU A 106 9.364 5.297 -12.147 1.00 0.29 H new ATOM 1695 N LYS A 107 9.513 6.439 -10.035 1.00 0.23 N ATOM 1696 CA LYS A 107 8.584 7.543 -9.907 1.00 0.23 C ATOM 1697 C LYS A 107 9.099 8.561 -8.885 1.00 0.24 C ATOM 1698 O LYS A 107 9.016 9.767 -9.115 1.00 0.30 O ATOM 1699 CB LYS A 107 7.208 7.017 -9.498 1.00 0.22 C ATOM 1700 CG LYS A 107 6.247 8.092 -9.018 1.00 0.62 C ATOM 1701 CD LYS A 107 4.997 7.479 -8.406 1.00 1.05 C ATOM 1702 CE LYS A 107 5.326 6.668 -7.161 1.00 1.11 C ATOM 1703 NZ LYS A 107 4.142 5.926 -6.649 1.00 2.14 N ATOM 0 H LYS A 107 9.150 5.542 -9.714 1.00 0.23 H new ATOM 0 HA LYS A 107 8.496 8.046 -10.870 1.00 0.23 H new ATOM 0 HB2 LYS A 107 6.762 6.500 -10.348 1.00 0.22 H new ATOM 0 HB3 LYS A 107 7.334 6.279 -8.706 1.00 0.22 H new ATOM 0 HG2 LYS A 107 6.743 8.724 -8.282 1.00 0.62 H new ATOM 0 HG3 LYS A 107 5.969 8.734 -9.854 1.00 0.62 H new ATOM 0 HD2 LYS A 107 4.291 8.269 -8.151 1.00 1.05 H new ATOM 0 HD3 LYS A 107 4.508 6.839 -9.140 1.00 1.05 H new ATOM 0 HE2 LYS A 107 6.125 5.963 -7.389 1.00 1.11 H new ATOM 0 HE3 LYS A 107 5.701 7.334 -6.383 1.00 1.11 H new ATOM 0 HZ1 LYS A 107 4.418 5.361 -5.821 1.00 2.14 H new ATOM 0 HZ2 LYS A 107 3.401 6.602 -6.375 1.00 2.14 H new ATOM 0 HZ3 LYS A 107 3.779 5.296 -7.393 1.00 2.14 H new ATOM 1717 N VAL A 108 9.629 8.076 -7.756 1.00 0.22 N ATOM 1718 CA VAL A 108 10.153 8.979 -6.728 1.00 0.26 C ATOM 1719 C VAL A 108 11.315 9.810 -7.273 1.00 0.33 C ATOM 1720 O VAL A 108 11.507 10.953 -6.863 1.00 0.40 O ATOM 1721 CB VAL A 108 10.603 8.247 -5.434 1.00 0.26 C ATOM 1722 CG1 VAL A 108 9.734 7.038 -5.153 1.00 0.22 C ATOM 1723 CG2 VAL A 108 12.077 7.862 -5.484 1.00 0.28 C ATOM 0 H VAL A 108 9.705 7.083 -7.534 1.00 0.22 H new ATOM 0 HA VAL A 108 9.323 9.632 -6.458 1.00 0.26 H new ATOM 0 HB VAL A 108 10.477 8.949 -4.610 1.00 0.26 H new ATOM 0 HG11 VAL A 108 10.076 6.548 -4.241 1.00 0.22 H new ATOM 0 HG12 VAL A 108 8.699 7.355 -5.029 1.00 0.22 H new ATOM 0 HG13 VAL A 108 9.802 6.339 -5.987 1.00 0.22 H new ATOM 0 HG21 VAL A 108 12.351 7.352 -4.560 1.00 0.28 H new ATOM 0 HG22 VAL A 108 12.251 7.198 -6.330 1.00 0.28 H new ATOM 0 HG23 VAL A 108 12.684 8.760 -5.597 1.00 0.28 H new ATOM 1733 N GLU A 109 12.095 9.235 -8.193 1.00 0.38 N ATOM 1734 CA GLU A 109 13.220 9.967 -8.783 1.00 0.48 C ATOM 1735 C GLU A 109 12.708 11.044 -9.727 1.00 0.45 C ATOM 1736 O GLU A 109 13.094 12.210 -9.622 1.00 0.45 O ATOM 1737 CB GLU A 109 14.177 9.046 -9.547 1.00 0.62 C ATOM 1738 CG GLU A 109 13.901 7.568 -9.369 1.00 1.29 C ATOM 1739 CD GLU A 109 14.888 6.700 -10.128 1.00 1.62 C ATOM 1740 OE1 GLU A 109 14.616 6.381 -11.304 1.00 2.41 O ATOM 1741 OE2 GLU A 109 15.931 6.336 -9.543 1.00 1.75 O ATOM 0 H GLU A 109 11.973 8.284 -8.540 1.00 0.38 H new ATOM 0 HA GLU A 109 13.772 10.418 -7.958 1.00 0.48 H new ATOM 0 HB2 GLU A 109 14.124 9.288 -10.609 1.00 0.62 H new ATOM 0 HB3 GLU A 109 15.197 9.254 -9.224 1.00 0.62 H new ATOM 0 HG2 GLU A 109 13.942 7.319 -8.309 1.00 1.29 H new ATOM 0 HG3 GLU A 109 12.890 7.346 -9.709 1.00 1.29 H new ATOM 1748 N ILE A 110 11.841 10.644 -10.657 1.00 0.44 N ATOM 1749 CA ILE A 110 11.268 11.576 -11.620 1.00 0.42 C ATOM 1750 C ILE A 110 10.698 12.798 -10.904 1.00 0.39 C ATOM 1751 O ILE A 110 10.911 13.934 -11.323 1.00 0.45 O ATOM 1752 CB ILE A 110 10.168 10.892 -12.465 1.00 0.42 C ATOM 1753 CG1 ILE A 110 10.782 10.186 -13.678 1.00 0.51 C ATOM 1754 CG2 ILE A 110 9.116 11.898 -12.916 1.00 0.42 C ATOM 1755 CD1 ILE A 110 11.785 9.106 -13.330 1.00 0.55 C ATOM 0 H ILE A 110 11.522 9.681 -10.762 1.00 0.44 H new ATOM 0 HA ILE A 110 12.064 11.900 -12.291 1.00 0.42 H new ATOM 0 HB ILE A 110 9.679 10.148 -11.837 1.00 0.42 H new ATOM 0 HG12 ILE A 110 9.981 9.744 -14.270 1.00 0.51 H new ATOM 0 HG13 ILE A 110 11.271 10.930 -14.308 1.00 0.51 H new ATOM 0 HG21 ILE A 110 8.356 11.389 -13.508 1.00 0.42 H new ATOM 0 HG22 ILE A 110 8.650 12.354 -12.042 1.00 0.42 H new ATOM 0 HG23 ILE A 110 9.588 12.672 -13.521 1.00 0.42 H new ATOM 0 HD11 ILE A 110 12.170 8.658 -14.246 1.00 0.55 H new ATOM 0 HD12 ILE A 110 12.609 9.543 -12.765 1.00 0.55 H new ATOM 0 HD13 ILE A 110 11.299 8.339 -12.728 1.00 0.55 H new ATOM 1767 N LYS A 111 9.976 12.546 -9.819 1.00 0.36 N ATOM 1768 CA LYS A 111 9.390 13.613 -9.019 1.00 0.37 C ATOM 1769 C LYS A 111 10.135 13.745 -7.696 1.00 0.40 C ATOM 1770 O LYS A 111 11.306 13.380 -7.596 1.00 0.48 O ATOM 1771 CB LYS A 111 7.909 13.329 -8.751 1.00 0.39 C ATOM 1772 CG LYS A 111 6.975 13.900 -9.804 1.00 0.51 C ATOM 1773 CD LYS A 111 5.629 14.277 -9.201 1.00 0.65 C ATOM 1774 CE LYS A 111 4.859 13.052 -8.726 1.00 0.67 C ATOM 1775 NZ LYS A 111 3.460 13.391 -8.344 1.00 1.28 N ATOM 0 H LYS A 111 9.782 11.607 -9.472 1.00 0.36 H new ATOM 0 HA LYS A 111 9.475 14.547 -9.574 1.00 0.37 H new ATOM 0 HB2 LYS A 111 7.760 12.251 -8.693 1.00 0.39 H new ATOM 0 HB3 LYS A 111 7.640 13.741 -7.778 1.00 0.39 H new ATOM 0 HG2 LYS A 111 7.431 14.779 -10.260 1.00 0.51 H new ATOM 0 HG3 LYS A 111 6.828 13.168 -10.599 1.00 0.51 H new ATOM 0 HD2 LYS A 111 5.784 14.957 -8.363 1.00 0.65 H new ATOM 0 HD3 LYS A 111 5.037 14.814 -9.942 1.00 0.65 H new ATOM 0 HE2 LYS A 111 4.848 12.301 -9.516 1.00 0.67 H new ATOM 0 HE3 LYS A 111 5.372 12.609 -7.872 1.00 0.67 H new ATOM 0 HZ1 LYS A 111 3.045 12.601 -7.811 1.00 1.28 H new ATOM 0 HZ2 LYS A 111 3.459 14.246 -7.752 1.00 1.28 H new ATOM 0 HZ3 LYS A 111 2.898 13.563 -9.202 1.00 1.28 H new ATOM 1789 N GLN A 112 9.456 14.280 -6.691 1.00 0.43 N ATOM 1790 CA GLN A 112 10.045 14.437 -5.372 1.00 0.56 C ATOM 1791 C GLN A 112 9.734 13.212 -4.527 1.00 0.65 C ATOM 1792 O GLN A 112 10.026 12.088 -4.937 1.00 1.51 O ATOM 1793 CB GLN A 112 9.516 15.711 -4.707 1.00 0.66 C ATOM 1794 CG GLN A 112 9.999 16.991 -5.373 1.00 0.69 C ATOM 1795 CD GLN A 112 11.512 17.108 -5.398 1.00 1.29 C ATOM 1796 OE1 GLN A 112 12.084 17.700 -6.313 1.00 2.15 O ATOM 1797 NE2 GLN A 112 12.170 16.549 -4.388 1.00 2.03 N ATOM 0 H GLN A 112 8.495 14.613 -6.766 1.00 0.43 H new ATOM 0 HA GLN A 112 11.127 14.530 -5.465 1.00 0.56 H new ATOM 0 HB2 GLN A 112 8.426 15.693 -4.721 1.00 0.66 H new ATOM 0 HB3 GLN A 112 9.821 15.718 -3.661 1.00 0.66 H new ATOM 0 HG2 GLN A 112 9.620 17.029 -6.394 1.00 0.69 H new ATOM 0 HG3 GLN A 112 9.582 17.849 -4.846 1.00 0.69 H new ATOM 0 HE21 GLN A 112 11.657 16.067 -3.649 1.00 2.03 H new ATOM 0 HE22 GLN A 112 13.188 16.601 -4.351 1.00 2.03 H new ATOM 1806 N LEU A 113 9.164 13.427 -3.347 1.00 0.37 N ATOM 1807 CA LEU A 113 8.781 12.323 -2.482 1.00 0.29 C ATOM 1808 C LEU A 113 9.984 11.540 -1.984 1.00 0.30 C ATOM 1809 O LEU A 113 9.844 10.404 -1.533 1.00 0.44 O ATOM 1810 CB LEU A 113 7.843 11.388 -3.233 1.00 0.24 C ATOM 1811 CG LEU A 113 6.500 11.991 -3.626 1.00 0.21 C ATOM 1812 CD1 LEU A 113 5.728 12.420 -2.387 1.00 0.21 C ATOM 1813 CD2 LEU A 113 6.661 13.164 -4.585 1.00 0.36 C ATOM 0 H LEU A 113 8.958 14.352 -2.970 1.00 0.37 H new ATOM 0 HA LEU A 113 8.279 12.746 -1.612 1.00 0.29 H new ATOM 0 HB2 LEU A 113 8.346 11.044 -4.136 1.00 0.24 H new ATOM 0 HB3 LEU A 113 7.661 10.509 -2.615 1.00 0.24 H new ATOM 0 HG LEU A 113 5.935 11.218 -4.148 1.00 0.21 H new ATOM 0 HD11 LEU A 113 4.771 12.849 -2.685 1.00 0.21 H new ATOM 0 HD12 LEU A 113 5.555 11.554 -1.748 1.00 0.21 H new ATOM 0 HD13 LEU A 113 6.305 13.165 -1.839 1.00 0.21 H new ATOM 0 HD21 LEU A 113 5.679 13.564 -4.839 1.00 0.36 H new ATOM 0 HD22 LEU A 113 7.258 13.943 -4.110 1.00 0.36 H new ATOM 0 HD23 LEU A 113 7.161 12.826 -5.493 1.00 0.36 H new ATOM 1825 N ASN A 114 11.166 12.140 -2.066 1.00 0.19 N ATOM 1826 CA ASN A 114 12.371 11.468 -1.611 1.00 0.18 C ATOM 1827 C ASN A 114 12.195 10.996 -0.174 1.00 0.16 C ATOM 1828 O ASN A 114 12.729 9.959 0.213 1.00 0.18 O ATOM 1829 CB ASN A 114 13.586 12.390 -1.725 1.00 0.20 C ATOM 1830 CG ASN A 114 13.782 12.925 -3.132 1.00 0.27 C ATOM 1831 OD1 ASN A 114 12.823 13.118 -3.877 1.00 1.10 O ATOM 1832 ND2 ASN A 114 15.036 13.165 -3.502 1.00 1.22 N ATOM 0 H ASN A 114 11.312 13.078 -2.439 1.00 0.19 H new ATOM 0 HA ASN A 114 12.544 10.601 -2.249 1.00 0.18 H new ATOM 0 HB2 ASN A 114 13.469 13.226 -1.035 1.00 0.20 H new ATOM 0 HB3 ASN A 114 14.480 11.847 -1.419 1.00 0.20 H new ATOM 0 HD21 ASN A 114 15.232 13.524 -4.436 1.00 1.22 H new ATOM 0 HD22 ASN A 114 15.802 12.991 -2.851 1.00 1.22 H new ATOM 1839 N HIS A 115 11.434 11.760 0.612 1.00 0.16 N ATOM 1840 CA HIS A 115 11.166 11.404 2.004 1.00 0.14 C ATOM 1841 C HIS A 115 10.525 10.023 2.063 1.00 0.13 C ATOM 1842 O HIS A 115 10.904 9.175 2.880 1.00 0.12 O ATOM 1843 CB HIS A 115 10.248 12.438 2.654 1.00 0.15 C ATOM 1844 CG HIS A 115 10.816 13.823 2.667 1.00 0.28 C ATOM 1845 ND1 HIS A 115 11.726 14.275 1.732 1.00 1.33 N ATOM 1846 CD2 HIS A 115 10.601 14.861 3.509 1.00 0.92 C ATOM 1847 CE1 HIS A 115 12.047 15.527 2.000 1.00 1.14 C ATOM 1848 NE2 HIS A 115 11.377 15.907 3.073 1.00 0.51 N ATOM 0 H HIS A 115 10.993 12.628 0.307 1.00 0.16 H new ATOM 0 HA HIS A 115 12.108 11.388 2.553 1.00 0.14 H new ATOM 0 HB2 HIS A 115 9.296 12.450 2.123 1.00 0.15 H new ATOM 0 HB3 HIS A 115 10.038 12.131 3.679 1.00 0.15 H new ATOM 0 HD2 HIS A 115 9.942 14.866 4.365 1.00 0.92 H new ATOM 0 HE1 HIS A 115 12.739 16.136 1.438 1.00 1.14 H new ATOM 0 HE2 HIS A 115 11.428 16.828 3.508 1.00 0.51 H new ATOM 1857 N PHE A 116 9.540 9.806 1.199 1.00 0.13 N ATOM 1858 CA PHE A 116 8.885 8.513 1.126 1.00 0.13 C ATOM 1859 C PHE A 116 9.961 7.458 0.941 1.00 0.12 C ATOM 1860 O PHE A 116 10.055 6.505 1.714 1.00 0.16 O ATOM 1861 CB PHE A 116 7.877 8.485 -0.028 1.00 0.15 C ATOM 1862 CG PHE A 116 7.618 7.113 -0.586 1.00 0.11 C ATOM 1863 CD1 PHE A 116 7.074 6.114 0.205 1.00 0.73 C ATOM 1864 CD2 PHE A 116 7.918 6.828 -1.908 1.00 0.73 C ATOM 1865 CE1 PHE A 116 6.838 4.854 -0.314 1.00 0.72 C ATOM 1866 CE2 PHE A 116 7.683 5.574 -2.430 1.00 0.77 C ATOM 1867 CZ PHE A 116 7.143 4.583 -1.632 1.00 0.21 C ATOM 0 H PHE A 116 9.183 10.504 0.546 1.00 0.13 H new ATOM 0 HA PHE A 116 8.327 8.316 2.041 1.00 0.13 H new ATOM 0 HB2 PHE A 116 6.934 8.909 0.318 1.00 0.15 H new ATOM 0 HB3 PHE A 116 8.241 9.128 -0.829 1.00 0.15 H new ATOM 0 HD1 PHE A 116 6.832 6.321 1.237 1.00 0.73 H new ATOM 0 HD2 PHE A 116 8.341 7.597 -2.537 1.00 0.73 H new ATOM 0 HE1 PHE A 116 6.415 4.082 0.312 1.00 0.72 H new ATOM 0 HE2 PHE A 116 7.921 5.366 -3.463 1.00 0.77 H new ATOM 0 HZ PHE A 116 6.960 3.599 -2.039 1.00 0.21 H new ATOM 1877 N TRP A 117 10.798 7.663 -0.071 1.00 0.14 N ATOM 1878 CA TRP A 117 11.894 6.752 -0.340 1.00 0.15 C ATOM 1879 C TRP A 117 12.690 6.521 0.939 1.00 0.15 C ATOM 1880 O TRP A 117 13.050 5.389 1.256 1.00 0.19 O ATOM 1881 CB TRP A 117 12.800 7.316 -1.440 1.00 0.19 C ATOM 1882 CG TRP A 117 14.117 6.607 -1.558 1.00 0.33 C ATOM 1883 CD1 TRP A 117 15.346 7.110 -1.243 1.00 0.47 C ATOM 1884 CD2 TRP A 117 14.336 5.270 -2.021 1.00 0.50 C ATOM 1885 NE1 TRP A 117 16.318 6.169 -1.486 1.00 0.60 N ATOM 1886 CE2 TRP A 117 15.722 5.031 -1.964 1.00 0.61 C ATOM 1887 CE3 TRP A 117 13.496 4.251 -2.480 1.00 0.67 C ATOM 1888 CZ2 TRP A 117 16.285 3.817 -2.347 1.00 0.80 C ATOM 1889 CZ3 TRP A 117 14.055 3.047 -2.860 1.00 0.88 C ATOM 1890 CH2 TRP A 117 15.439 2.838 -2.792 1.00 0.92 C ATOM 0 H TRP A 117 10.735 8.452 -0.715 1.00 0.14 H new ATOM 0 HA TRP A 117 11.491 5.800 -0.686 1.00 0.15 H new ATOM 0 HB2 TRP A 117 12.278 7.256 -2.395 1.00 0.19 H new ATOM 0 HB3 TRP A 117 12.982 8.372 -1.242 1.00 0.19 H new ATOM 0 HD1 TRP A 117 15.528 8.103 -0.859 1.00 0.47 H new ATOM 0 HE1 TRP A 117 17.319 6.297 -1.335 1.00 0.60 H new ATOM 0 HE3 TRP A 117 12.428 4.403 -2.536 1.00 0.67 H new ATOM 0 HZ2 TRP A 117 17.351 3.654 -2.295 1.00 0.80 H new ATOM 0 HZ3 TRP A 117 13.415 2.253 -3.216 1.00 0.88 H new ATOM 0 HH2 TRP A 117 15.846 1.885 -3.097 1.00 0.92 H new ATOM 1901 N GLU A 118 12.923 7.603 1.688 1.00 0.14 N ATOM 1902 CA GLU A 118 13.678 7.533 2.935 1.00 0.15 C ATOM 1903 C GLU A 118 13.107 6.478 3.872 1.00 0.14 C ATOM 1904 O GLU A 118 13.820 5.562 4.287 1.00 0.17 O ATOM 1905 CB GLU A 118 13.702 8.890 3.647 1.00 0.17 C ATOM 1906 CG GLU A 118 14.322 10.011 2.830 1.00 0.20 C ATOM 1907 CD GLU A 118 15.710 9.667 2.326 1.00 0.27 C ATOM 1908 OE1 GLU A 118 16.684 9.872 3.080 1.00 0.86 O ATOM 1909 OE2 GLU A 118 15.823 9.192 1.176 1.00 0.64 O ATOM 0 H GLU A 118 12.597 8.539 1.448 1.00 0.14 H new ATOM 0 HA GLU A 118 14.698 7.253 2.672 1.00 0.15 H new ATOM 0 HB2 GLU A 118 12.681 9.168 3.909 1.00 0.17 H new ATOM 0 HB3 GLU A 118 14.254 8.788 4.581 1.00 0.17 H new ATOM 0 HG2 GLU A 118 13.677 10.236 1.981 1.00 0.20 H new ATOM 0 HG3 GLU A 118 14.374 10.913 3.439 1.00 0.20 H new ATOM 1916 N ILE A 119 11.822 6.593 4.214 1.00 0.11 N ATOM 1917 CA ILE A 119 11.222 5.615 5.119 1.00 0.13 C ATOM 1918 C ILE A 119 11.305 4.212 4.532 1.00 0.14 C ATOM 1919 O ILE A 119 11.489 3.243 5.271 1.00 0.19 O ATOM 1920 CB ILE A 119 9.761 5.942 5.492 1.00 0.15 C ATOM 1921 CG1 ILE A 119 8.856 5.886 4.263 1.00 0.10 C ATOM 1922 CG2 ILE A 119 9.685 7.304 6.166 1.00 0.22 C ATOM 1923 CD1 ILE A 119 7.430 6.296 4.543 1.00 0.14 C ATOM 0 H ILE A 119 11.195 7.329 3.890 1.00 0.11 H new ATOM 0 HA ILE A 119 11.803 5.663 6.040 1.00 0.13 H new ATOM 0 HB ILE A 119 9.406 5.189 6.195 1.00 0.15 H new ATOM 0 HG12 ILE A 119 9.267 6.535 3.490 1.00 0.10 H new ATOM 0 HG13 ILE A 119 8.862 4.872 3.864 1.00 0.10 H new ATOM 0 HG21 ILE A 119 8.649 7.525 6.425 1.00 0.22 H new ATOM 0 HG22 ILE A 119 10.292 7.296 7.072 1.00 0.22 H new ATOM 0 HG23 ILE A 119 10.059 8.068 5.485 1.00 0.22 H new ATOM 0 HD11 ILE A 119 6.846 6.232 3.625 1.00 0.14 H new ATOM 0 HD12 ILE A 119 7.001 5.632 5.293 1.00 0.14 H new ATOM 0 HD13 ILE A 119 7.412 7.321 4.913 1.00 0.14 H new ATOM 1935 N VAL A 120 11.180 4.086 3.208 1.00 0.13 N ATOM 1936 CA VAL A 120 11.282 2.763 2.597 1.00 0.20 C ATOM 1937 C VAL A 120 12.687 2.198 2.823 1.00 0.21 C ATOM 1938 O VAL A 120 12.855 0.988 2.963 1.00 0.25 O ATOM 1939 CB VAL A 120 10.908 2.731 1.090 1.00 0.29 C ATOM 1940 CG1 VAL A 120 10.204 4.002 0.663 1.00 0.82 C ATOM 1941 CG2 VAL A 120 12.118 2.470 0.215 1.00 0.76 C ATOM 0 H VAL A 120 11.014 4.856 2.560 1.00 0.13 H new ATOM 0 HA VAL A 120 10.542 2.133 3.090 1.00 0.20 H new ATOM 0 HB VAL A 120 10.215 1.901 0.956 1.00 0.29 H new ATOM 0 HG11 VAL A 120 9.958 3.943 -0.397 1.00 0.82 H new ATOM 0 HG12 VAL A 120 9.288 4.123 1.242 1.00 0.82 H new ATOM 0 HG13 VAL A 120 10.858 4.856 0.837 1.00 0.82 H new ATOM 0 HG21 VAL A 120 11.814 2.455 -0.832 1.00 0.76 H new ATOM 0 HG22 VAL A 120 12.854 3.259 0.368 1.00 0.76 H new ATOM 0 HG23 VAL A 120 12.557 1.508 0.479 1.00 0.76 H new ATOM 1951 N VAL A 121 13.701 3.074 2.862 1.00 0.20 N ATOM 1952 CA VAL A 121 15.067 2.618 3.122 1.00 0.24 C ATOM 1953 C VAL A 121 15.159 2.176 4.573 1.00 0.26 C ATOM 1954 O VAL A 121 15.844 1.208 4.909 1.00 0.31 O ATOM 1955 CB VAL A 121 16.150 3.695 2.840 1.00 0.25 C ATOM 1956 CG1 VAL A 121 15.667 4.711 1.828 1.00 0.24 C ATOM 1957 CG2 VAL A 121 16.605 4.384 4.117 1.00 0.26 C ATOM 0 H VAL A 121 13.603 4.079 2.720 1.00 0.20 H new ATOM 0 HA VAL A 121 15.269 1.795 2.436 1.00 0.24 H new ATOM 0 HB VAL A 121 17.011 3.178 2.417 1.00 0.25 H new ATOM 0 HG11 VAL A 121 16.449 5.450 1.653 1.00 0.24 H new ATOM 0 HG12 VAL A 121 15.429 4.207 0.892 1.00 0.24 H new ATOM 0 HG13 VAL A 121 14.775 5.209 2.209 1.00 0.24 H new ATOM 0 HG21 VAL A 121 17.363 5.130 3.878 1.00 0.26 H new ATOM 0 HG22 VAL A 121 15.753 4.871 4.591 1.00 0.26 H new ATOM 0 HG23 VAL A 121 17.026 3.645 4.799 1.00 0.26 H new ATOM 1967 N GLN A 122 14.451 2.908 5.425 1.00 0.25 N ATOM 1968 CA GLN A 122 14.405 2.616 6.846 1.00 0.30 C ATOM 1969 C GLN A 122 13.577 1.358 7.086 1.00 0.35 C ATOM 1970 O GLN A 122 13.696 0.703 8.122 1.00 0.44 O ATOM 1971 CB GLN A 122 13.811 3.814 7.594 1.00 0.29 C ATOM 1972 CG GLN A 122 13.420 3.512 9.026 1.00 0.44 C ATOM 1973 CD GLN A 122 13.229 4.763 9.862 1.00 1.27 C ATOM 1974 OE1 GLN A 122 13.477 4.761 11.066 1.00 1.92 O ATOM 1975 NE2 GLN A 122 12.782 5.840 9.224 1.00 2.12 N ATOM 0 H GLN A 122 13.896 3.717 5.148 1.00 0.25 H new ATOM 0 HA GLN A 122 15.413 2.439 7.220 1.00 0.30 H new ATOM 0 HB2 GLN A 122 14.536 4.628 7.590 1.00 0.29 H new ATOM 0 HB3 GLN A 122 12.932 4.167 7.055 1.00 0.29 H new ATOM 0 HG2 GLN A 122 12.496 2.933 9.031 1.00 0.44 H new ATOM 0 HG3 GLN A 122 14.189 2.889 9.484 1.00 0.44 H new ATOM 0 HE21 GLN A 122 12.589 5.797 8.223 1.00 2.12 H new ATOM 0 HE22 GLN A 122 12.632 6.710 9.735 1.00 2.12 H new ATOM 1984 N ASP A 123 12.743 1.028 6.105 1.00 0.31 N ATOM 1985 CA ASP A 123 11.887 -0.149 6.179 1.00 0.37 C ATOM 1986 C ASP A 123 12.386 -1.251 5.246 1.00 0.40 C ATOM 1987 O ASP A 123 11.854 -2.362 5.246 1.00 0.45 O ATOM 1988 CB ASP A 123 10.451 0.226 5.810 1.00 0.35 C ATOM 1989 CG ASP A 123 9.732 0.945 6.935 1.00 0.39 C ATOM 1990 OD1 ASP A 123 9.219 0.260 7.846 1.00 0.86 O ATOM 1991 OD2 ASP A 123 9.682 2.193 6.907 1.00 0.71 O ATOM 0 H ASP A 123 12.642 1.564 5.243 1.00 0.31 H new ATOM 0 HA ASP A 123 11.915 -0.525 7.202 1.00 0.37 H new ATOM 0 HB2 ASP A 123 10.461 0.862 4.925 1.00 0.35 H new ATOM 0 HB3 ASP A 123 9.899 -0.677 5.548 1.00 0.35 H new ATOM 1996 N GLY A 124 13.408 -0.940 4.451 1.00 0.38 N ATOM 1997 CA GLY A 124 13.941 -1.918 3.518 1.00 0.43 C ATOM 1998 C GLY A 124 12.901 -2.318 2.496 1.00 0.44 C ATOM 1999 O GLY A 124 12.366 -3.427 2.542 1.00 0.55 O ATOM 0 H GLY A 124 13.874 -0.033 4.436 1.00 0.38 H new ATOM 0 HA2 GLY A 124 14.813 -1.504 3.011 1.00 0.43 H new ATOM 0 HA3 GLY A 124 14.278 -2.800 4.063 1.00 0.43 H new ATOM 2003 N ILE A 125 12.616 -1.410 1.568 1.00 0.40 N ATOM 2004 CA ILE A 125 11.603 -1.652 0.550 1.00 0.44 C ATOM 2005 C ILE A 125 12.159 -1.512 -0.869 1.00 0.45 C ATOM 2006 O ILE A 125 11.660 -0.712 -1.657 1.00 0.48 O ATOM 2007 CB ILE A 125 10.427 -0.666 0.729 1.00 0.47 C ATOM 2008 CG1 ILE A 125 10.012 -0.582 2.203 1.00 0.58 C ATOM 2009 CG2 ILE A 125 9.238 -1.063 -0.133 1.00 0.68 C ATOM 2010 CD1 ILE A 125 9.510 -1.891 2.773 1.00 0.49 C ATOM 0 H ILE A 125 13.073 -0.500 1.501 1.00 0.40 H new ATOM 0 HA ILE A 125 11.262 -2.679 0.679 1.00 0.44 H new ATOM 0 HB ILE A 125 10.766 0.318 0.404 1.00 0.47 H new ATOM 0 HG12 ILE A 125 10.865 -0.244 2.792 1.00 0.58 H new ATOM 0 HG13 ILE A 125 9.232 0.172 2.309 1.00 0.58 H new ATOM 0 HG21 ILE A 125 8.427 -0.350 0.015 1.00 0.68 H new ATOM 0 HG22 ILE A 125 9.533 -1.064 -1.182 1.00 0.68 H new ATOM 0 HG23 ILE A 125 8.901 -2.060 0.150 1.00 0.68 H new ATOM 0 HD11 ILE A 125 9.236 -1.751 3.819 1.00 0.49 H new ATOM 0 HD12 ILE A 125 8.637 -2.222 2.210 1.00 0.49 H new ATOM 0 HD13 ILE A 125 10.295 -2.644 2.701 1.00 0.49 H new ATOM 2022 N THR A 126 13.209 -2.270 -1.190 1.00 0.45 N ATOM 2023 CA THR A 126 13.785 -2.226 -2.535 1.00 0.47 C ATOM 2024 C THR A 126 14.282 -3.601 -2.979 1.00 0.48 C ATOM 2025 O THR A 126 14.722 -4.403 -2.158 1.00 0.57 O ATOM 2026 CB THR A 126 14.931 -1.213 -2.651 1.00 0.49 C ATOM 2027 OG1 THR A 126 14.589 0.001 -1.973 1.00 0.55 O ATOM 2028 CG2 THR A 126 15.221 -0.913 -4.111 1.00 0.53 C ATOM 0 H THR A 126 13.672 -2.913 -0.548 1.00 0.45 H new ATOM 0 HA THR A 126 12.977 -1.905 -3.193 1.00 0.47 H new ATOM 0 HB THR A 126 15.820 -1.643 -2.190 1.00 0.49 H new ATOM 0 HG1 THR A 126 14.657 0.754 -2.596 1.00 0.55 H new ATOM 0 HG21 THR A 126 16.036 -0.193 -4.179 1.00 0.53 H new ATOM 0 HG22 THR A 126 15.506 -1.833 -4.622 1.00 0.53 H new ATOM 0 HG23 THR A 126 14.330 -0.498 -4.581 1.00 0.53 H new ATOM 2036 N LEU A 127 14.204 -3.848 -4.291 1.00 0.47 N ATOM 2037 CA LEU A 127 14.625 -5.118 -4.897 1.00 0.48 C ATOM 2038 C LEU A 127 13.924 -6.308 -4.238 1.00 0.46 C ATOM 2039 O LEU A 127 13.370 -6.193 -3.145 1.00 0.52 O ATOM 2040 CB LEU A 127 16.161 -5.285 -4.852 1.00 0.52 C ATOM 2041 CG LEU A 127 16.740 -6.004 -3.624 1.00 0.66 C ATOM 2042 CD1 LEU A 127 16.676 -7.510 -3.791 1.00 1.29 C ATOM 2043 CD2 LEU A 127 18.178 -5.596 -3.382 1.00 1.19 C ATOM 0 H LEU A 127 13.846 -3.171 -4.965 1.00 0.47 H new ATOM 0 HA LEU A 127 14.326 -5.093 -5.945 1.00 0.48 H new ATOM 0 HB2 LEU A 127 16.470 -5.831 -5.743 1.00 0.52 H new ATOM 0 HB3 LEU A 127 16.613 -4.295 -4.911 1.00 0.52 H new ATOM 0 HG LEU A 127 16.133 -5.712 -2.767 1.00 0.66 H new ATOM 0 HD11 LEU A 127 17.093 -7.992 -2.907 1.00 1.29 H new ATOM 0 HD12 LEU A 127 15.638 -7.818 -3.917 1.00 1.29 H new ATOM 0 HD13 LEU A 127 17.251 -7.803 -4.669 1.00 1.29 H new ATOM 0 HD21 LEU A 127 18.563 -6.120 -2.507 1.00 1.19 H new ATOM 0 HD22 LEU A 127 18.781 -5.853 -4.253 1.00 1.19 H new ATOM 0 HD23 LEU A 127 18.227 -4.521 -3.212 1.00 1.19 H new