USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 872 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 116 ASN : amide:sc= 1.86 K(o=2.6,f=1.5) USER MOD Set 1.2: A 117 GLN : amide:sc= 0.787 K(o=2.6,f=1.5) USER MOD Set 2.1: A 115 TYR OH : rot 64:sc= 2.12 USER MOD Set 2.2: A 145 ASN : amide:sc= 0.761 K(o=2.9,f=1) USER MOD Set 3.1: A 40 THR OG1 : rot -80:sc= 0.977 USER MOD Set 3.2: A 76 LYS NZ :NH3+ 149:sc= 1.04 (180deg=-0.868) USER MOD Single : A 39 HIS :FLIP no HD1:sc= -0.143 F(o=-1.1,f=-0.14) USER MOD Single : A 41 SER OG : rot -78:sc= 0.221 USER MOD Single : A 44 LYS NZ :NH3+ 163:sc= 3.35 (180deg=3.12) USER MOD Single : A 52 THR OG1 : rot 170:sc=-0.00765 USER MOD Single : A 53 TYR OH : rot 30:sc= -0.0325 USER MOD Single : A 56 THR OG1 : rot 41:sc= 0.706 USER MOD Single : A 60 SER OG : rot -30:sc= 0.108 USER MOD Single : A 66 LYS NZ :NH3+ 161:sc= 0.951 (180deg=0.419) USER MOD Single : A 68 THR OG1 : rot 51:sc= 0.474 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 18:sc= 1.02 USER MOD Single : A 77 GLN :FLIP amide:sc= -0.595 F(o=-2.1,f=-0.6) USER MOD Single : A 79 ASN : amide:sc= -1.76! K(o=-1.8!,f=-3.2) USER MOD Single : A 81 LYS NZ :NH3+ -154:sc= 0.216 (180deg=-2.12!) USER MOD Single : A 84 HIS : no HE2:sc= 0.43 K(o=0.43,f=-2.7!) USER MOD Single : A 86 LYS NZ :NH3+ -142:sc= 1.03 (180deg=-0.756) USER MOD Single : A 87 SER OG : rot 180:sc= -0.205 USER MOD Single : A 91 ASN : amide:sc= 2.04 K(o=2,f=-8.8!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 HIS : no HE2:sc= -0.713 K(o=-0.71,f=-2.7) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ 152:sc= 1.17 (180deg=0.774) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 TYR OH : rot 12:sc= 0.75 USER MOD Single : A 124 SER OG : rot 33:sc= 0.508 USER MOD Single : A 131 LYS NZ :NH3+ 149:sc= -0.159 (180deg=-3.34!) USER MOD Single : A 133 GLN : amide:sc= -0.0848 X(o=-0.085,f=-0.088) USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD Single : A 142 LYS NZ :NH3+ -172:sc= 1.22 (180deg=1.15) USER MOD Single : A 143 THR OG1 : rot 174:sc= 1.44 USER MOD Single : A 149 HIS : no HE2:sc= -0.717 K(o=-0.72,f=-5.5!) USER MOD Single : A 155 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 GLN : amide:sc= 1.38 K(o=1.4,f=-6.5!) USER MOD ----------------------------------------------------------------- ATOM 560 N GLY A 37 -7.673 -14.108 -4.621 1.00 2.46 N ATOM 561 CA GLY A 37 -8.289 -12.836 -4.261 1.00 1.93 C ATOM 562 C GLY A 37 -9.710 -12.752 -4.819 1.00 1.71 C ATOM 563 O GLY A 37 -10.000 -11.887 -5.647 1.00 2.13 O ATOM 0 HA2 GLY A 37 -8.311 -12.730 -3.176 1.00 1.93 H new ATOM 0 HA3 GLY A 37 -7.690 -12.012 -4.650 1.00 1.93 H new ATOM 567 N GLU A 38 -10.587 -13.660 -4.375 1.00 1.82 N ATOM 568 CA GLU A 38 -11.849 -13.960 -5.037 1.00 1.84 C ATOM 569 C GLU A 38 -12.635 -12.716 -5.436 1.00 1.49 C ATOM 570 O GLU A 38 -12.834 -12.477 -6.623 1.00 1.39 O ATOM 571 CB GLU A 38 -12.713 -14.899 -4.191 1.00 2.16 C ATOM 572 CG GLU A 38 -11.944 -16.166 -3.802 1.00 2.90 C ATOM 573 CD GLU A 38 -12.889 -17.303 -3.444 1.00 3.70 C ATOM 574 OE1 GLU A 38 -12.595 -18.444 -3.864 1.00 5.03 O ATOM 575 OE2 GLU A 38 -13.904 -17.008 -2.778 1.00 3.68 O ATOM 0 H GLU A 38 -10.431 -14.212 -3.532 1.00 1.82 H new ATOM 0 HA GLU A 38 -11.584 -14.468 -5.964 1.00 1.84 H new ATOM 0 HB2 GLU A 38 -13.043 -14.381 -3.291 1.00 2.16 H new ATOM 0 HB3 GLU A 38 -13.609 -15.172 -4.748 1.00 2.16 H new ATOM 0 HG2 GLU A 38 -11.302 -16.471 -4.628 1.00 2.90 H new ATOM 0 HG3 GLU A 38 -11.293 -15.952 -2.955 1.00 2.90 H new ATOM 582 N HIS A 39 -13.119 -11.931 -4.466 1.00 1.50 N ATOM 583 CA HIS A 39 -14.021 -10.843 -4.783 1.00 1.48 C ATOM 584 C HIS A 39 -13.291 -9.794 -5.621 1.00 1.20 C ATOM 585 O HIS A 39 -13.852 -9.279 -6.586 1.00 1.39 O ATOM 586 CB HIS A 39 -14.641 -10.284 -3.502 1.00 1.75 C ATOM 587 CG HIS A 39 -15.159 -11.367 -2.596 1.00 2.73 C ATOM 588 ND1 HIS A 39 -14.690 -11.626 -1.342 1.00 3.33 N flip ATOM 589 CD2 HIS A 39 -15.991 -12.408 -2.950 1.00 4.15 C flip ATOM 590 CE1 HIS A 39 -15.269 -12.816 -0.900 1.00 4.34 C flip ATOM 591 NE2 HIS A 39 -16.039 -13.257 -1.907 1.00 4.93 N flip ATOM 0 H HIS A 39 -12.900 -12.034 -3.475 1.00 1.50 H new ATOM 0 HA HIS A 39 -14.852 -11.203 -5.391 1.00 1.48 H new ATOM 0 HB2 HIS A 39 -13.896 -9.693 -2.969 1.00 1.75 H new ATOM 0 HB3 HIS A 39 -15.457 -9.609 -3.761 1.00 1.75 H new ATOM 0 HD2 HIS A 39 -16.509 -12.521 -3.891 1.00 4.15 H new ATOM 0 HE1 HIS A 39 -15.126 -13.288 0.061 1.00 4.34 H new ATOM 0 HE2 HIS A 39 -16.586 -14.118 -1.885 1.00 4.93 H new ATOM 599 N THR A 40 -12.033 -9.496 -5.280 1.00 1.02 N ATOM 600 CA THR A 40 -11.302 -8.437 -5.955 1.00 1.04 C ATOM 601 C THR A 40 -11.025 -8.755 -7.420 1.00 0.99 C ATOM 602 O THR A 40 -10.996 -7.821 -8.217 1.00 1.28 O ATOM 603 CB THR A 40 -10.045 -8.005 -5.191 1.00 1.40 C ATOM 604 OG1 THR A 40 -9.453 -6.886 -5.834 1.00 2.74 O ATOM 605 CG2 THR A 40 -9.002 -9.108 -5.036 1.00 1.94 C ATOM 0 H THR A 40 -11.510 -9.973 -4.546 1.00 1.02 H new ATOM 0 HA THR A 40 -11.962 -7.569 -5.958 1.00 1.04 H new ATOM 0 HB THR A 40 -10.377 -7.749 -4.185 1.00 1.40 H new ATOM 0 HG1 THR A 40 -8.928 -7.191 -6.603 1.00 2.74 H new ATOM 0 HG21 THR A 40 -8.144 -8.723 -4.485 1.00 1.94 H new ATOM 0 HG22 THR A 40 -9.437 -9.946 -4.491 1.00 1.94 H new ATOM 0 HG23 THR A 40 -8.679 -9.444 -6.021 1.00 1.94 H new ATOM 613 N SER A 41 -10.776 -10.017 -7.776 1.00 0.85 N ATOM 614 CA SER A 41 -10.714 -10.396 -9.186 1.00 0.84 C ATOM 615 C SER A 41 -12.131 -10.350 -9.769 1.00 0.90 C ATOM 616 O SER A 41 -12.426 -9.540 -10.652 1.00 1.08 O ATOM 617 CB SER A 41 -10.051 -11.767 -9.348 1.00 1.01 C ATOM 618 OG SER A 41 -10.697 -12.725 -8.536 1.00 2.17 O ATOM 0 H SER A 41 -10.617 -10.781 -7.119 1.00 0.85 H new ATOM 0 HA SER A 41 -10.094 -9.693 -9.742 1.00 0.84 H new ATOM 0 HB2 SER A 41 -10.094 -12.078 -10.392 1.00 1.01 H new ATOM 0 HB3 SER A 41 -8.997 -11.703 -9.077 1.00 1.01 H new ATOM 0 HG SER A 41 -10.407 -12.615 -7.606 1.00 2.17 H new ATOM 624 N PHE A 42 -13.005 -11.200 -9.213 1.00 1.11 N ATOM 625 CA PHE A 42 -14.424 -11.348 -9.545 1.00 1.43 C ATOM 626 C PHE A 42 -15.079 -10.027 -9.942 1.00 1.55 C ATOM 627 O PHE A 42 -15.830 -9.994 -10.915 1.00 1.74 O ATOM 628 CB PHE A 42 -15.167 -11.957 -8.346 1.00 1.78 C ATOM 629 CG PHE A 42 -16.664 -11.725 -8.302 1.00 2.00 C ATOM 630 CD1 PHE A 42 -17.165 -10.544 -7.720 1.00 2.80 C ATOM 631 CD2 PHE A 42 -17.540 -12.609 -8.955 1.00 2.73 C ATOM 632 CE1 PHE A 42 -18.507 -10.182 -7.911 1.00 2.95 C ATOM 633 CE2 PHE A 42 -18.907 -12.299 -9.044 1.00 2.87 C ATOM 634 CZ PHE A 42 -19.388 -11.073 -8.549 1.00 2.40 C ATOM 0 H PHE A 42 -12.720 -11.842 -8.473 1.00 1.11 H new ATOM 0 HA PHE A 42 -14.489 -12.008 -10.410 1.00 1.43 H new ATOM 0 HB2 PHE A 42 -14.986 -13.032 -8.340 1.00 1.78 H new ATOM 0 HB3 PHE A 42 -14.730 -11.555 -7.432 1.00 1.78 H new ATOM 0 HD1 PHE A 42 -16.516 -9.917 -7.127 1.00 2.80 H new ATOM 0 HD2 PHE A 42 -17.163 -13.524 -9.387 1.00 2.73 H new ATOM 0 HE1 PHE A 42 -18.862 -9.221 -7.569 1.00 2.95 H new ATOM 0 HE2 PHE A 42 -19.591 -13.004 -9.494 1.00 2.87 H new ATOM 0 HZ PHE A 42 -20.431 -10.817 -8.659 1.00 2.40 H new ATOM 644 N ASP A 43 -14.824 -8.966 -9.160 1.00 1.60 N ATOM 645 CA ASP A 43 -15.399 -7.640 -9.328 1.00 1.92 C ATOM 646 C ASP A 43 -15.548 -7.301 -10.804 1.00 2.05 C ATOM 647 O ASP A 43 -16.650 -6.925 -11.220 1.00 2.73 O ATOM 648 CB ASP A 43 -14.537 -6.586 -8.616 1.00 1.89 C ATOM 649 CG ASP A 43 -15.063 -5.173 -8.823 1.00 1.94 C ATOM 650 OD1 ASP A 43 -16.181 -4.907 -8.340 1.00 2.80 O ATOM 651 OD2 ASP A 43 -14.382 -4.360 -9.485 1.00 2.19 O ATOM 0 H ASP A 43 -14.186 -9.020 -8.366 1.00 1.60 H new ATOM 0 HA ASP A 43 -16.391 -7.637 -8.876 1.00 1.92 H new ATOM 0 HB2 ASP A 43 -14.505 -6.807 -7.549 1.00 1.89 H new ATOM 0 HB3 ASP A 43 -13.513 -6.648 -8.985 1.00 1.89 H new ATOM 656 N LYS A 44 -14.425 -7.420 -11.532 1.00 1.56 N ATOM 657 CA LYS A 44 -14.209 -7.179 -12.961 1.00 1.66 C ATOM 658 C LYS A 44 -12.732 -6.827 -13.204 1.00 1.65 C ATOM 659 O LYS A 44 -12.436 -5.876 -13.925 1.00 2.00 O ATOM 660 CB LYS A 44 -15.147 -6.092 -13.528 1.00 2.04 C ATOM 661 CG LYS A 44 -15.069 -4.791 -12.712 1.00 2.70 C ATOM 662 CD LYS A 44 -16.272 -3.878 -12.954 1.00 2.91 C ATOM 663 CE LYS A 44 -16.604 -3.045 -11.709 1.00 4.44 C ATOM 664 NZ LYS A 44 -15.406 -2.507 -11.041 1.00 5.16 N ATOM 0 H LYS A 44 -13.559 -7.719 -11.083 1.00 1.56 H new ATOM 0 HA LYS A 44 -14.454 -8.096 -13.498 1.00 1.66 H new ATOM 0 HB2 LYS A 44 -14.882 -5.887 -14.565 1.00 2.04 H new ATOM 0 HB3 LYS A 44 -16.173 -6.461 -13.528 1.00 2.04 H new ATOM 0 HG2 LYS A 44 -15.008 -5.034 -11.651 1.00 2.70 H new ATOM 0 HG3 LYS A 44 -14.154 -4.258 -12.970 1.00 2.70 H new ATOM 0 HD2 LYS A 44 -16.063 -3.214 -13.793 1.00 2.91 H new ATOM 0 HD3 LYS A 44 -17.137 -4.480 -13.232 1.00 2.91 H new ATOM 0 HE2 LYS A 44 -17.256 -2.219 -11.994 1.00 4.44 H new ATOM 0 HE3 LYS A 44 -17.161 -3.662 -11.004 1.00 4.44 H new ATOM 0 HZ1 LYS A 44 -15.683 -1.737 -10.400 1.00 5.16 H new ATOM 0 HZ2 LYS A 44 -14.944 -3.262 -10.496 1.00 5.16 H new ATOM 0 HZ3 LYS A 44 -14.745 -2.142 -11.756 1.00 5.16 H new ATOM 678 N LEU A 45 -11.799 -7.563 -12.589 1.00 1.45 N ATOM 679 CA LEU A 45 -10.367 -7.333 -12.696 1.00 1.54 C ATOM 680 C LEU A 45 -9.683 -8.676 -13.005 1.00 1.53 C ATOM 681 O LEU A 45 -10.222 -9.724 -12.650 1.00 2.16 O ATOM 682 CB LEU A 45 -9.842 -6.661 -11.415 1.00 1.67 C ATOM 683 CG LEU A 45 -10.357 -5.212 -11.263 1.00 1.67 C ATOM 684 CD1 LEU A 45 -11.569 -5.117 -10.338 1.00 2.33 C ATOM 685 CD2 LEU A 45 -9.276 -4.282 -10.712 1.00 2.14 C ATOM 0 H LEU A 45 -12.033 -8.354 -11.989 1.00 1.45 H new ATOM 0 HA LEU A 45 -10.137 -6.646 -13.511 1.00 1.54 H new ATOM 0 HB2 LEU A 45 -10.148 -7.246 -10.548 1.00 1.67 H new ATOM 0 HB3 LEU A 45 -8.752 -6.658 -11.429 1.00 1.67 H new ATOM 0 HG LEU A 45 -10.643 -4.902 -12.268 1.00 1.67 H new ATOM 0 HD11 LEU A 45 -11.891 -4.078 -10.266 1.00 2.33 H new ATOM 0 HD12 LEU A 45 -12.382 -5.722 -10.740 1.00 2.33 H new ATOM 0 HD13 LEU A 45 -11.300 -5.483 -9.347 1.00 2.33 H new ATOM 0 HD21 LEU A 45 -9.677 -3.273 -10.620 1.00 2.14 H new ATOM 0 HD22 LEU A 45 -8.956 -4.636 -9.732 1.00 2.14 H new ATOM 0 HD23 LEU A 45 -8.423 -4.273 -11.391 1.00 2.14 H new ATOM 697 N PRO A 46 -8.556 -8.662 -13.737 1.00 1.22 N ATOM 698 CA PRO A 46 -7.974 -9.847 -14.364 1.00 1.34 C ATOM 699 C PRO A 46 -7.203 -10.726 -13.371 1.00 1.44 C ATOM 700 O PRO A 46 -7.259 -10.507 -12.166 1.00 1.71 O ATOM 701 CB PRO A 46 -7.046 -9.278 -15.448 1.00 1.66 C ATOM 702 CG PRO A 46 -6.590 -7.948 -14.857 1.00 1.83 C ATOM 703 CD PRO A 46 -7.861 -7.461 -14.170 1.00 1.49 C ATOM 0 HA PRO A 46 -8.743 -10.507 -14.766 1.00 1.34 H new ATOM 0 HB2 PRO A 46 -6.203 -9.941 -15.645 1.00 1.66 H new ATOM 0 HB3 PRO A 46 -7.570 -9.139 -16.394 1.00 1.66 H new ATOM 0 HG2 PRO A 46 -5.767 -8.074 -14.153 1.00 1.83 H new ATOM 0 HG3 PRO A 46 -6.249 -7.254 -15.626 1.00 1.83 H new ATOM 0 HD2 PRO A 46 -7.626 -6.817 -13.323 1.00 1.49 H new ATOM 0 HD3 PRO A 46 -8.477 -6.877 -14.854 1.00 1.49 H new ATOM 711 N GLU A 47 -6.451 -11.697 -13.904 1.00 1.87 N ATOM 712 CA GLU A 47 -5.432 -12.477 -13.204 1.00 2.36 C ATOM 713 C GLU A 47 -4.086 -11.732 -13.147 1.00 2.00 C ATOM 714 O GLU A 47 -3.289 -11.946 -12.239 1.00 2.88 O ATOM 715 CB GLU A 47 -5.261 -13.823 -13.927 1.00 3.19 C ATOM 716 CG GLU A 47 -5.111 -13.692 -15.454 1.00 3.39 C ATOM 717 CD GLU A 47 -4.496 -14.949 -16.056 1.00 4.40 C ATOM 718 OE1 GLU A 47 -5.263 -15.735 -16.647 1.00 5.21 O ATOM 719 OE2 GLU A 47 -3.261 -15.086 -15.916 1.00 4.91 O ATOM 0 H GLU A 47 -6.544 -11.970 -14.882 1.00 1.87 H new ATOM 0 HA GLU A 47 -5.757 -12.637 -12.176 1.00 2.36 H new ATOM 0 HB2 GLU A 47 -4.383 -14.331 -13.527 1.00 3.19 H new ATOM 0 HB3 GLU A 47 -6.122 -14.455 -13.708 1.00 3.19 H new ATOM 0 HG2 GLU A 47 -6.087 -13.510 -15.904 1.00 3.39 H new ATOM 0 HG3 GLU A 47 -4.486 -12.830 -15.688 1.00 3.39 H new ATOM 726 N GLY A 48 -3.844 -10.866 -14.140 1.00 1.39 N ATOM 727 CA GLY A 48 -2.596 -10.191 -14.474 1.00 1.60 C ATOM 728 C GLY A 48 -1.614 -9.919 -13.330 1.00 1.01 C ATOM 729 O GLY A 48 -1.910 -9.176 -12.395 1.00 2.11 O ATOM 0 H GLY A 48 -4.588 -10.600 -14.785 1.00 1.39 H new ATOM 0 HA2 GLY A 48 -2.080 -10.789 -15.226 1.00 1.60 H new ATOM 0 HA3 GLY A 48 -2.843 -9.237 -14.940 1.00 1.60 H new ATOM 733 N GLY A 49 -0.380 -10.413 -13.460 1.00 1.08 N ATOM 734 CA GLY A 49 0.638 -10.269 -12.426 1.00 1.12 C ATOM 735 C GLY A 49 1.260 -8.866 -12.311 1.00 1.05 C ATOM 736 O GLY A 49 2.433 -8.753 -11.959 1.00 1.88 O ATOM 0 H GLY A 49 -0.063 -10.922 -14.285 1.00 1.08 H new ATOM 0 HA2 GLY A 49 0.197 -10.534 -11.465 1.00 1.12 H new ATOM 0 HA3 GLY A 49 1.434 -10.987 -12.620 1.00 1.12 H new ATOM 740 N ARG A 50 0.535 -7.806 -12.678 1.00 0.87 N ATOM 741 CA ARG A 50 0.888 -6.408 -12.468 1.00 0.92 C ATOM 742 C ARG A 50 -0.393 -5.588 -12.543 1.00 1.00 C ATOM 743 O ARG A 50 -1.353 -6.032 -13.173 1.00 1.83 O ATOM 744 CB ARG A 50 1.974 -5.941 -13.447 1.00 1.34 C ATOM 745 CG ARG A 50 1.658 -6.204 -14.929 1.00 3.12 C ATOM 746 CD ARG A 50 2.849 -6.846 -15.657 1.00 3.67 C ATOM 747 NE ARG A 50 2.981 -8.280 -15.332 1.00 4.19 N ATOM 748 CZ ARG A 50 3.868 -8.859 -14.500 1.00 4.33 C ATOM 749 NH1 ARG A 50 4.791 -8.130 -13.865 1.00 4.19 N ATOM 750 NH2 ARG A 50 3.822 -10.183 -14.306 1.00 5.21 N ATOM 0 H ARG A 50 -0.361 -7.910 -13.155 1.00 0.87 H new ATOM 0 HA ARG A 50 1.334 -6.270 -11.483 1.00 0.92 H new ATOM 0 HB2 ARG A 50 2.134 -4.872 -13.308 1.00 1.34 H new ATOM 0 HB3 ARG A 50 2.910 -6.439 -13.195 1.00 1.34 H new ATOM 0 HG2 ARG A 50 0.789 -6.857 -15.006 1.00 3.12 H new ATOM 0 HG3 ARG A 50 1.395 -5.266 -15.418 1.00 3.12 H new ATOM 0 HD2 ARG A 50 2.724 -6.727 -16.733 1.00 3.67 H new ATOM 0 HD3 ARG A 50 3.766 -6.325 -15.383 1.00 3.67 H new ATOM 0 HE ARG A 50 2.322 -8.907 -15.793 1.00 4.19 H new ATOM 0 HH11 ARG A 50 4.830 -7.121 -14.007 1.00 4.19 H new ATOM 0 HH12 ARG A 50 5.456 -8.583 -13.238 1.00 4.19 H new ATOM 0 HH21 ARG A 50 3.119 -10.745 -14.787 1.00 5.21 H new ATOM 0 HH22 ARG A 50 4.490 -10.630 -13.678 1.00 5.21 H new ATOM 764 N ALA A 51 -0.418 -4.408 -11.917 1.00 0.96 N ATOM 765 CA ALA A 51 -1.546 -3.505 -11.994 1.00 0.93 C ATOM 766 C ALA A 51 -1.058 -2.068 -11.876 1.00 0.63 C ATOM 767 O ALA A 51 0.021 -1.823 -11.340 1.00 0.97 O ATOM 768 CB ALA A 51 -2.510 -3.810 -10.858 1.00 1.41 C ATOM 0 H ALA A 51 0.351 -4.061 -11.344 1.00 0.96 H new ATOM 0 HA ALA A 51 -2.054 -3.635 -12.950 1.00 0.93 H new ATOM 0 HB1 ALA A 51 -3.362 -3.132 -10.912 1.00 1.41 H new ATOM 0 HB2 ALA A 51 -2.859 -4.839 -10.944 1.00 1.41 H new ATOM 0 HB3 ALA A 51 -2.001 -3.678 -9.903 1.00 1.41 H new ATOM 774 N THR A 52 -1.863 -1.123 -12.359 1.00 0.69 N ATOM 775 CA THR A 52 -1.540 0.293 -12.333 1.00 0.77 C ATOM 776 C THR A 52 -1.916 0.886 -10.967 1.00 1.00 C ATOM 777 O THR A 52 -3.085 1.124 -10.679 1.00 1.67 O ATOM 778 CB THR A 52 -2.204 0.985 -13.539 1.00 1.06 C ATOM 779 OG1 THR A 52 -1.959 2.372 -13.473 1.00 1.56 O ATOM 780 CG2 THR A 52 -3.706 0.680 -13.710 1.00 1.10 C ATOM 0 H THR A 52 -2.768 -1.327 -12.783 1.00 0.69 H new ATOM 0 HA THR A 52 -0.468 0.460 -12.439 1.00 0.77 H new ATOM 0 HB THR A 52 -1.744 0.566 -14.434 1.00 1.06 H new ATOM 0 HG1 THR A 52 -2.237 2.794 -14.313 1.00 1.56 H new ATOM 0 HG21 THR A 52 -4.088 1.209 -14.583 1.00 1.10 H new ATOM 0 HG22 THR A 52 -3.846 -0.392 -13.846 1.00 1.10 H new ATOM 0 HG23 THR A 52 -4.247 1.007 -12.822 1.00 1.10 H new ATOM 788 N TYR A 53 -0.918 1.044 -10.090 1.00 1.02 N ATOM 789 CA TYR A 53 -1.055 1.525 -8.717 1.00 1.49 C ATOM 790 C TYR A 53 -0.131 2.737 -8.557 1.00 1.40 C ATOM 791 O TYR A 53 0.856 2.687 -7.828 1.00 1.85 O ATOM 792 CB TYR A 53 -0.690 0.404 -7.718 1.00 1.90 C ATOM 793 CG TYR A 53 -1.773 -0.613 -7.405 1.00 1.73 C ATOM 794 CD1 TYR A 53 -2.520 -1.218 -8.432 1.00 2.66 C ATOM 795 CD2 TYR A 53 -2.024 -0.980 -6.070 1.00 2.36 C ATOM 796 CE1 TYR A 53 -3.667 -1.963 -8.124 1.00 3.03 C ATOM 797 CE2 TYR A 53 -3.145 -1.770 -5.762 1.00 2.57 C ATOM 798 CZ TYR A 53 -4.021 -2.169 -6.783 1.00 2.51 C ATOM 799 OH TYR A 53 -5.238 -2.684 -6.464 1.00 3.26 O ATOM 0 H TYR A 53 0.049 0.829 -10.332 1.00 1.02 H new ATOM 0 HA TYR A 53 -2.085 1.816 -8.509 1.00 1.49 H new ATOM 0 HB2 TYR A 53 0.176 -0.131 -8.109 1.00 1.90 H new ATOM 0 HB3 TYR A 53 -0.381 0.870 -6.782 1.00 1.90 H new ATOM 0 HD1 TYR A 53 -2.209 -1.108 -9.460 1.00 2.66 H new ATOM 0 HD2 TYR A 53 -1.357 -0.656 -5.285 1.00 2.36 H new ATOM 0 HE1 TYR A 53 -4.275 -2.376 -8.915 1.00 3.03 H new ATOM 0 HE2 TYR A 53 -3.332 -2.069 -4.741 1.00 2.57 H new ATOM 0 HH TYR A 53 -5.542 -3.275 -7.184 1.00 3.26 H new ATOM 809 N ARG A 54 -0.413 3.832 -9.262 1.00 1.09 N ATOM 810 CA ARG A 54 0.437 5.016 -9.267 1.00 0.96 C ATOM 811 C ARG A 54 0.163 5.828 -8.000 1.00 0.75 C ATOM 812 O ARG A 54 -0.421 6.908 -8.076 1.00 1.00 O ATOM 813 CB ARG A 54 0.131 5.838 -10.531 1.00 1.35 C ATOM 814 CG ARG A 54 0.417 5.080 -11.836 1.00 1.68 C ATOM 815 CD ARG A 54 1.920 4.947 -12.106 1.00 1.92 C ATOM 816 NE ARG A 54 2.163 4.305 -13.407 1.00 2.88 N ATOM 817 CZ ARG A 54 3.333 4.321 -14.069 1.00 3.76 C ATOM 818 NH1 ARG A 54 4.401 4.914 -13.522 1.00 3.92 N ATOM 819 NH2 ARG A 54 3.428 3.749 -15.274 1.00 4.99 N ATOM 0 H ARG A 54 -1.243 3.920 -9.848 1.00 1.09 H new ATOM 0 HA ARG A 54 1.491 4.739 -9.278 1.00 0.96 H new ATOM 0 HB2 ARG A 54 -0.917 6.137 -10.516 1.00 1.35 H new ATOM 0 HB3 ARG A 54 0.724 6.752 -10.513 1.00 1.35 H new ATOM 0 HG2 ARG A 54 -0.031 4.088 -11.784 1.00 1.68 H new ATOM 0 HG3 ARG A 54 -0.056 5.601 -12.669 1.00 1.68 H new ATOM 0 HD2 ARG A 54 2.385 5.932 -12.089 1.00 1.92 H new ATOM 0 HD3 ARG A 54 2.386 4.361 -11.314 1.00 1.92 H new ATOM 0 HE ARG A 54 1.384 3.810 -13.840 1.00 2.88 H new ATOM 0 HH11 ARG A 54 4.326 5.353 -12.604 1.00 3.92 H new ATOM 0 HH12 ARG A 54 5.289 4.927 -14.023 1.00 3.92 H new ATOM 0 HH21 ARG A 54 2.613 3.300 -15.691 1.00 4.99 H new ATOM 0 HH22 ARG A 54 4.316 3.761 -15.776 1.00 4.99 H new ATOM 833 N GLY A 55 0.532 5.284 -6.836 1.00 1.07 N ATOM 834 CA GLY A 55 0.100 5.821 -5.554 1.00 1.12 C ATOM 835 C GLY A 55 1.142 6.698 -4.866 1.00 0.84 C ATOM 836 O GLY A 55 2.347 6.510 -5.035 1.00 0.92 O ATOM 0 H GLY A 55 1.135 4.464 -6.762 1.00 1.07 H new ATOM 0 HA2 GLY A 55 -0.809 6.404 -5.703 1.00 1.12 H new ATOM 0 HA3 GLY A 55 -0.157 4.993 -4.893 1.00 1.12 H new ATOM 840 N THR A 56 0.668 7.651 -4.063 1.00 0.68 N ATOM 841 CA THR A 56 1.478 8.604 -3.316 1.00 0.78 C ATOM 842 C THR A 56 1.189 8.413 -1.827 1.00 0.65 C ATOM 843 O THR A 56 0.120 8.819 -1.371 1.00 0.89 O ATOM 844 CB THR A 56 1.099 10.022 -3.770 1.00 1.17 C ATOM 845 OG1 THR A 56 -0.304 10.185 -3.690 1.00 2.28 O ATOM 846 CG2 THR A 56 1.538 10.277 -5.214 1.00 2.26 C ATOM 0 H THR A 56 -0.332 7.782 -3.911 1.00 0.68 H new ATOM 0 HA THR A 56 2.542 8.450 -3.494 1.00 0.78 H new ATOM 0 HB THR A 56 1.606 10.731 -3.116 1.00 1.17 H new ATOM 0 HG1 THR A 56 -0.635 9.769 -2.867 1.00 2.28 H new ATOM 0 HG21 THR A 56 1.256 11.288 -5.507 1.00 2.26 H new ATOM 0 HG22 THR A 56 2.620 10.165 -5.291 1.00 2.26 H new ATOM 0 HG23 THR A 56 1.051 9.559 -5.874 1.00 2.26 H new ATOM 854 N ALA A 57 2.110 7.793 -1.083 1.00 0.77 N ATOM 855 CA ALA A 57 1.968 7.508 0.337 1.00 0.76 C ATOM 856 C ALA A 57 2.629 8.623 1.145 1.00 0.81 C ATOM 857 O ALA A 57 3.828 8.571 1.422 1.00 1.11 O ATOM 858 CB ALA A 57 2.553 6.123 0.635 1.00 0.84 C ATOM 0 H ALA A 57 2.997 7.469 -1.468 1.00 0.77 H new ATOM 0 HA ALA A 57 0.918 7.482 0.628 1.00 0.76 H new ATOM 0 HB1 ALA A 57 2.449 5.905 1.698 1.00 0.84 H new ATOM 0 HB2 ALA A 57 2.018 5.370 0.056 1.00 0.84 H new ATOM 0 HB3 ALA A 57 3.608 6.108 0.363 1.00 0.84 H new ATOM 864 N PHE A 58 1.847 9.648 1.492 1.00 0.65 N ATOM 865 CA PHE A 58 2.341 10.878 2.093 1.00 0.72 C ATOM 866 C PHE A 58 2.193 10.808 3.615 1.00 0.68 C ATOM 867 O PHE A 58 1.121 10.506 4.141 1.00 0.56 O ATOM 868 CB PHE A 58 1.703 12.091 1.408 1.00 0.84 C ATOM 869 CG PHE A 58 0.324 12.458 1.910 1.00 0.83 C ATOM 870 CD1 PHE A 58 0.202 13.368 2.976 1.00 2.20 C ATOM 871 CD2 PHE A 58 -0.821 11.818 1.398 1.00 1.86 C ATOM 872 CE1 PHE A 58 -1.051 13.598 3.565 1.00 2.51 C ATOM 873 CE2 PHE A 58 -2.080 12.068 1.972 1.00 1.74 C ATOM 874 CZ PHE A 58 -2.194 12.949 3.064 1.00 1.32 C ATOM 0 H PHE A 58 0.836 9.641 1.359 1.00 0.65 H new ATOM 0 HA PHE A 58 3.411 11.002 1.925 1.00 0.72 H new ATOM 0 HB2 PHE A 58 2.361 12.950 1.538 1.00 0.84 H new ATOM 0 HB3 PHE A 58 1.643 11.895 0.338 1.00 0.84 H new ATOM 0 HD1 PHE A 58 1.074 13.890 3.342 1.00 2.20 H new ATOM 0 HD2 PHE A 58 -0.732 11.136 0.565 1.00 1.86 H new ATOM 0 HE1 PHE A 58 -1.138 14.274 4.403 1.00 2.51 H new ATOM 0 HE2 PHE A 58 -2.960 11.584 1.575 1.00 1.74 H new ATOM 0 HZ PHE A 58 -3.158 13.126 3.517 1.00 1.32 H new ATOM 884 N GLY A 59 3.313 11.000 4.317 1.00 0.93 N ATOM 885 CA GLY A 59 3.390 10.921 5.764 1.00 1.00 C ATOM 886 C GLY A 59 2.881 12.206 6.403 1.00 1.16 C ATOM 887 O GLY A 59 2.824 13.241 5.747 1.00 1.33 O ATOM 0 H GLY A 59 4.207 11.219 3.878 1.00 0.93 H new ATOM 0 HA2 GLY A 59 2.801 10.075 6.118 1.00 1.00 H new ATOM 0 HA3 GLY A 59 4.421 10.742 6.069 1.00 1.00 H new ATOM 891 N SER A 60 2.600 12.175 7.707 1.00 1.28 N ATOM 892 CA SER A 60 2.258 13.384 8.452 1.00 1.52 C ATOM 893 C SER A 60 3.349 14.468 8.380 1.00 1.70 C ATOM 894 O SER A 60 3.043 15.632 8.623 1.00 1.95 O ATOM 895 CB SER A 60 1.953 13.031 9.911 1.00 1.58 C ATOM 896 OG SER A 60 1.368 14.138 10.568 1.00 1.92 O ATOM 0 H SER A 60 2.603 11.323 8.268 1.00 1.28 H new ATOM 0 HA SER A 60 1.371 13.806 7.980 1.00 1.52 H new ATOM 0 HB2 SER A 60 1.279 12.176 9.953 1.00 1.58 H new ATOM 0 HB3 SER A 60 2.870 12.739 10.422 1.00 1.58 H new ATOM 0 HG SER A 60 1.705 14.969 10.172 1.00 1.92 H new ATOM 902 N ASP A 61 4.605 14.089 8.104 1.00 1.69 N ATOM 903 CA ASP A 61 5.742 14.999 7.933 1.00 1.88 C ATOM 904 C ASP A 61 5.956 15.351 6.448 1.00 1.66 C ATOM 905 O ASP A 61 6.917 16.035 6.105 1.00 1.70 O ATOM 906 CB ASP A 61 6.990 14.305 8.520 1.00 2.15 C ATOM 907 CG ASP A 61 8.242 15.185 8.574 1.00 2.50 C ATOM 908 OD1 ASP A 61 9.320 14.701 8.142 1.00 3.57 O ATOM 909 OD2 ASP A 61 8.132 16.299 9.121 1.00 2.40 O ATOM 0 H ASP A 61 4.864 13.109 7.990 1.00 1.69 H new ATOM 0 HA ASP A 61 5.550 15.937 8.453 1.00 1.88 H new ATOM 0 HB2 ASP A 61 6.759 13.963 9.529 1.00 2.15 H new ATOM 0 HB3 ASP A 61 7.210 13.419 7.925 1.00 2.15 H new ATOM 914 N ASP A 62 5.147 14.774 5.543 1.00 1.51 N ATOM 915 CA ASP A 62 5.453 14.621 4.124 1.00 1.36 C ATOM 916 C ASP A 62 6.822 13.997 3.877 1.00 1.50 C ATOM 917 O ASP A 62 7.349 13.994 2.764 1.00 1.93 O ATOM 918 CB ASP A 62 5.168 15.896 3.314 1.00 1.55 C ATOM 919 CG ASP A 62 3.687 16.038 2.996 1.00 1.93 C ATOM 920 OD1 ASP A 62 3.167 15.111 2.338 1.00 2.34 O ATOM 921 OD2 ASP A 62 3.106 17.067 3.399 1.00 3.39 O ATOM 0 H ASP A 62 4.235 14.392 5.794 1.00 1.51 H new ATOM 0 HA ASP A 62 4.750 13.888 3.728 1.00 1.36 H new ATOM 0 HB2 ASP A 62 5.505 16.767 3.875 1.00 1.55 H new ATOM 0 HB3 ASP A 62 5.739 15.874 2.386 1.00 1.55 H new ATOM 926 N ALA A 63 7.318 13.280 4.884 1.00 1.34 N ATOM 927 CA ALA A 63 8.368 12.300 4.738 1.00 1.35 C ATOM 928 C ALA A 63 7.711 11.029 4.227 1.00 1.13 C ATOM 929 O ALA A 63 7.749 9.983 4.870 1.00 1.13 O ATOM 930 CB ALA A 63 8.960 12.079 6.115 1.00 1.49 C ATOM 0 H ALA A 63 6.986 13.374 5.844 1.00 1.34 H new ATOM 0 HA ALA A 63 9.154 12.610 4.049 1.00 1.35 H new ATOM 0 HB1 ALA A 63 9.761 11.342 6.053 1.00 1.49 H new ATOM 0 HB2 ALA A 63 9.360 13.019 6.494 1.00 1.49 H new ATOM 0 HB3 ALA A 63 8.185 11.716 6.790 1.00 1.49 H new ATOM 936 N GLY A 64 7.070 11.153 3.073 1.00 1.11 N ATOM 937 CA GLY A 64 6.301 10.096 2.470 1.00 1.05 C ATOM 938 C GLY A 64 7.081 9.500 1.305 1.00 1.06 C ATOM 939 O GLY A 64 8.169 9.963 0.964 1.00 1.43 O ATOM 0 H GLY A 64 7.076 12.014 2.525 1.00 1.11 H new ATOM 0 HA2 GLY A 64 6.083 9.324 3.208 1.00 1.05 H new ATOM 0 HA3 GLY A 64 5.344 10.482 2.121 1.00 1.05 H new ATOM 943 N GLY A 65 6.522 8.469 0.680 1.00 1.02 N ATOM 944 CA GLY A 65 7.116 7.824 -0.476 1.00 1.06 C ATOM 945 C GLY A 65 6.040 7.467 -1.487 1.00 0.95 C ATOM 946 O GLY A 65 4.852 7.685 -1.267 1.00 1.04 O ATOM 0 H GLY A 65 5.635 8.057 0.968 1.00 1.02 H new ATOM 0 HA2 GLY A 65 7.850 8.487 -0.934 1.00 1.06 H new ATOM 0 HA3 GLY A 65 7.648 6.924 -0.167 1.00 1.06 H new ATOM 950 N LYS A 66 6.470 6.944 -2.630 1.00 0.98 N ATOM 951 CA LYS A 66 5.570 6.599 -3.713 1.00 0.98 C ATOM 952 C LYS A 66 5.220 5.129 -3.553 1.00 0.93 C ATOM 953 O LYS A 66 6.131 4.300 -3.484 1.00 1.36 O ATOM 954 CB LYS A 66 6.237 6.856 -5.069 1.00 1.23 C ATOM 955 CG LYS A 66 6.928 8.225 -5.154 1.00 1.35 C ATOM 956 CD LYS A 66 8.397 8.103 -5.602 1.00 1.73 C ATOM 957 CE LYS A 66 9.351 7.447 -4.583 1.00 2.19 C ATOM 958 NZ LYS A 66 9.522 5.981 -4.719 1.00 3.71 N ATOM 0 H LYS A 66 7.452 6.749 -2.827 1.00 0.98 H new ATOM 0 HA LYS A 66 4.669 7.212 -3.678 1.00 0.98 H new ATOM 0 HB2 LYS A 66 6.971 6.073 -5.260 1.00 1.23 H new ATOM 0 HB3 LYS A 66 5.485 6.786 -5.855 1.00 1.23 H new ATOM 0 HG2 LYS A 66 6.387 8.861 -5.854 1.00 1.35 H new ATOM 0 HG3 LYS A 66 6.885 8.714 -4.181 1.00 1.35 H new ATOM 0 HD2 LYS A 66 8.430 7.527 -6.527 1.00 1.73 H new ATOM 0 HD3 LYS A 66 8.772 9.100 -5.834 1.00 1.73 H new ATOM 0 HE2 LYS A 66 10.330 7.919 -4.672 1.00 2.19 H new ATOM 0 HE3 LYS A 66 8.984 7.661 -3.579 1.00 2.19 H new ATOM 0 HZ1 LYS A 66 10.391 5.686 -4.230 1.00 3.71 H new ATOM 0 HZ2 LYS A 66 8.705 5.496 -4.296 1.00 3.71 H new ATOM 0 HZ3 LYS A 66 9.589 5.731 -5.726 1.00 3.71 H new ATOM 972 N LEU A 67 3.930 4.795 -3.566 1.00 0.78 N ATOM 973 CA LEU A 67 3.497 3.413 -3.535 1.00 0.81 C ATOM 974 C LEU A 67 3.766 2.911 -4.946 1.00 0.84 C ATOM 975 O LEU A 67 2.927 3.018 -5.835 1.00 1.32 O ATOM 976 CB LEU A 67 2.007 3.321 -3.183 1.00 0.85 C ATOM 977 CG LEU A 67 1.522 1.860 -3.168 1.00 0.89 C ATOM 978 CD1 LEU A 67 1.637 1.262 -1.766 1.00 0.97 C ATOM 979 CD2 LEU A 67 0.076 1.760 -3.642 1.00 1.01 C ATOM 0 H LEU A 67 3.168 5.473 -3.598 1.00 0.78 H new ATOM 0 HA LEU A 67 4.017 2.822 -2.781 1.00 0.81 H new ATOM 0 HB2 LEU A 67 1.834 3.773 -2.207 1.00 0.85 H new ATOM 0 HB3 LEU A 67 1.425 3.892 -3.907 1.00 0.85 H new ATOM 0 HG LEU A 67 2.160 1.297 -3.850 1.00 0.89 H new ATOM 0 HD11 LEU A 67 1.288 0.229 -1.781 1.00 0.97 H new ATOM 0 HD12 LEU A 67 2.678 1.289 -1.443 1.00 0.97 H new ATOM 0 HD13 LEU A 67 1.027 1.841 -1.072 1.00 0.97 H new ATOM 0 HD21 LEU A 67 -0.242 0.718 -3.622 1.00 1.01 H new ATOM 0 HD22 LEU A 67 -0.564 2.348 -2.984 1.00 1.01 H new ATOM 0 HD23 LEU A 67 -0.001 2.143 -4.660 1.00 1.01 H new ATOM 991 N THR A 68 4.991 2.441 -5.160 1.00 0.59 N ATOM 992 CA THR A 68 5.482 2.197 -6.498 1.00 0.72 C ATOM 993 C THR A 68 4.880 0.876 -6.977 1.00 1.00 C ATOM 994 O THR A 68 4.851 -0.097 -6.227 1.00 1.45 O ATOM 995 CB THR A 68 7.017 2.248 -6.481 1.00 1.10 C ATOM 996 OG1 THR A 68 7.460 3.431 -5.821 1.00 2.43 O ATOM 997 CG2 THR A 68 7.550 2.270 -7.916 1.00 1.48 C ATOM 0 H THR A 68 5.657 2.224 -4.419 1.00 0.59 H new ATOM 0 HA THR A 68 5.176 2.959 -7.215 1.00 0.72 H new ATOM 0 HB THR A 68 7.386 1.368 -5.954 1.00 1.10 H new ATOM 0 HG1 THR A 68 7.009 3.510 -4.954 1.00 2.43 H new ATOM 0 HG21 THR A 68 8.639 2.306 -7.899 1.00 1.48 H new ATOM 0 HG22 THR A 68 7.225 1.370 -8.439 1.00 1.48 H new ATOM 0 HG23 THR A 68 7.166 3.149 -8.433 1.00 1.48 H new ATOM 1005 N TYR A 69 4.325 0.858 -8.192 1.00 0.83 N ATOM 1006 CA TYR A 69 3.197 -0.018 -8.463 1.00 0.79 C ATOM 1007 C TYR A 69 3.640 -1.472 -8.593 1.00 0.72 C ATOM 1008 O TYR A 69 4.441 -1.815 -9.459 1.00 0.75 O ATOM 1009 CB TYR A 69 2.453 0.426 -9.733 1.00 0.73 C ATOM 1010 CG TYR A 69 3.215 0.363 -11.047 1.00 0.64 C ATOM 1011 CD1 TYR A 69 3.062 -0.754 -11.889 1.00 1.86 C ATOM 1012 CD2 TYR A 69 4.039 1.430 -11.452 1.00 1.78 C ATOM 1013 CE1 TYR A 69 3.725 -0.811 -13.125 1.00 2.05 C ATOM 1014 CE2 TYR A 69 4.739 1.355 -12.670 1.00 1.71 C ATOM 1015 CZ TYR A 69 4.586 0.231 -13.502 1.00 0.96 C ATOM 1016 OH TYR A 69 5.260 0.156 -14.684 1.00 1.27 O ATOM 0 H TYR A 69 4.633 1.426 -8.981 1.00 0.83 H new ATOM 0 HA TYR A 69 2.516 0.054 -7.615 1.00 0.79 H new ATOM 0 HB2 TYR A 69 1.559 -0.189 -9.832 1.00 0.73 H new ATOM 0 HB3 TYR A 69 2.119 1.453 -9.586 1.00 0.73 H new ATOM 0 HD1 TYR A 69 2.430 -1.574 -11.582 1.00 1.86 H new ATOM 0 HD2 TYR A 69 4.134 2.306 -10.828 1.00 1.78 H new ATOM 0 HE1 TYR A 69 3.573 -1.654 -13.783 1.00 2.05 H new ATOM 0 HE2 TYR A 69 5.394 2.161 -12.966 1.00 1.71 H new ATOM 0 HH TYR A 69 5.813 0.957 -14.797 1.00 1.27 H new ATOM 1026 N THR A 70 3.123 -2.330 -7.714 1.00 0.70 N ATOM 1027 CA THR A 70 3.304 -3.767 -7.780 1.00 0.67 C ATOM 1028 C THR A 70 2.151 -4.439 -7.032 1.00 0.65 C ATOM 1029 O THR A 70 1.996 -4.272 -5.822 1.00 0.78 O ATOM 1030 CB THR A 70 4.674 -4.145 -7.192 1.00 0.90 C ATOM 1031 OG1 THR A 70 5.711 -3.808 -8.093 1.00 1.30 O ATOM 1032 CG2 THR A 70 4.813 -5.647 -6.918 1.00 0.89 C ATOM 0 H THR A 70 2.555 -2.031 -6.921 1.00 0.70 H new ATOM 0 HA THR A 70 3.290 -4.112 -8.814 1.00 0.67 H new ATOM 0 HB THR A 70 4.749 -3.593 -6.255 1.00 0.90 H new ATOM 0 HG1 THR A 70 5.376 -3.163 -8.751 1.00 1.30 H new ATOM 0 HG21 THR A 70 5.800 -5.852 -6.504 1.00 0.89 H new ATOM 0 HG22 THR A 70 4.049 -5.959 -6.206 1.00 0.89 H new ATOM 0 HG23 THR A 70 4.688 -6.200 -7.849 1.00 0.89 H new ATOM 1040 N ILE A 71 1.351 -5.218 -7.759 1.00 0.71 N ATOM 1041 CA ILE A 71 0.485 -6.249 -7.213 1.00 0.81 C ATOM 1042 C ILE A 71 0.648 -7.425 -8.176 1.00 1.08 C ATOM 1043 O ILE A 71 1.133 -7.218 -9.287 1.00 1.74 O ATOM 1044 CB ILE A 71 -0.984 -5.765 -7.096 1.00 0.88 C ATOM 1045 CG1 ILE A 71 -1.855 -6.174 -8.294 1.00 1.29 C ATOM 1046 CG2 ILE A 71 -1.098 -4.240 -6.936 1.00 1.00 C ATOM 1047 CD1 ILE A 71 -3.283 -5.651 -8.164 1.00 1.18 C ATOM 0 H ILE A 71 1.290 -5.143 -8.774 1.00 0.71 H new ATOM 0 HA ILE A 71 0.753 -6.526 -6.193 1.00 0.81 H new ATOM 0 HB ILE A 71 -1.350 -6.260 -6.197 1.00 0.88 H new ATOM 0 HG12 ILE A 71 -1.411 -5.792 -9.213 1.00 1.29 H new ATOM 0 HG13 ILE A 71 -1.872 -7.261 -8.376 1.00 1.29 H new ATOM 0 HG21 ILE A 71 -2.149 -3.960 -6.859 1.00 1.00 H new ATOM 0 HG22 ILE A 71 -0.572 -3.929 -6.033 1.00 1.00 H new ATOM 0 HG23 ILE A 71 -0.654 -3.749 -7.802 1.00 1.00 H new ATOM 0 HD11 ILE A 71 -3.865 -5.962 -9.031 1.00 1.18 H new ATOM 0 HD12 ILE A 71 -3.737 -6.054 -7.259 1.00 1.18 H new ATOM 0 HD13 ILE A 71 -3.268 -4.562 -8.109 1.00 1.18 H new ATOM 1059 N ASP A 72 0.197 -8.619 -7.793 1.00 0.70 N ATOM 1060 CA ASP A 72 -0.178 -9.649 -8.751 1.00 0.68 C ATOM 1061 C ASP A 72 -1.675 -9.834 -8.578 1.00 0.68 C ATOM 1062 O ASP A 72 -2.089 -10.034 -7.440 1.00 0.90 O ATOM 1063 CB ASP A 72 0.577 -10.948 -8.460 1.00 0.79 C ATOM 1064 CG ASP A 72 0.096 -12.082 -9.358 1.00 2.34 C ATOM 1065 OD1 ASP A 72 -1.107 -12.412 -9.259 1.00 3.51 O ATOM 1066 OD2 ASP A 72 0.933 -12.570 -10.146 1.00 3.37 O ATOM 0 H ASP A 72 0.083 -8.895 -6.818 1.00 0.70 H new ATOM 0 HA ASP A 72 0.072 -9.369 -9.774 1.00 0.68 H new ATOM 0 HB2 ASP A 72 1.645 -10.791 -8.609 1.00 0.79 H new ATOM 0 HB3 ASP A 72 0.438 -11.225 -7.415 1.00 0.79 H new ATOM 1071 N PHE A 73 -2.494 -9.687 -9.624 1.00 0.73 N ATOM 1072 CA PHE A 73 -3.939 -9.674 -9.440 1.00 0.81 C ATOM 1073 C PHE A 73 -4.503 -10.969 -8.856 1.00 1.01 C ATOM 1074 O PHE A 73 -5.594 -10.921 -8.290 1.00 1.27 O ATOM 1075 CB PHE A 73 -4.687 -9.322 -10.729 1.00 0.83 C ATOM 1076 CG PHE A 73 -5.108 -7.877 -10.848 1.00 1.18 C ATOM 1077 CD1 PHE A 73 -6.072 -7.375 -9.958 1.00 2.96 C ATOM 1078 CD2 PHE A 73 -4.564 -7.044 -11.840 1.00 1.32 C ATOM 1079 CE1 PHE A 73 -6.377 -6.007 -9.959 1.00 3.61 C ATOM 1080 CE2 PHE A 73 -4.986 -5.708 -11.936 1.00 1.50 C ATOM 1081 CZ PHE A 73 -5.838 -5.170 -10.954 1.00 2.49 C ATOM 0 H PHE A 73 -2.183 -9.577 -10.589 1.00 0.73 H new ATOM 0 HA PHE A 73 -4.108 -8.888 -8.704 1.00 0.81 H new ATOM 0 HB2 PHE A 73 -4.052 -9.571 -11.579 1.00 0.83 H new ATOM 0 HB3 PHE A 73 -5.575 -9.950 -10.799 1.00 0.83 H new ATOM 0 HD1 PHE A 73 -6.577 -8.042 -9.275 1.00 2.96 H new ATOM 0 HD2 PHE A 73 -3.824 -7.430 -12.526 1.00 1.32 H new ATOM 0 HE1 PHE A 73 -7.024 -5.596 -9.198 1.00 3.61 H new ATOM 0 HE2 PHE A 73 -4.657 -5.095 -12.762 1.00 1.50 H new ATOM 0 HZ PHE A 73 -6.078 -4.117 -10.964 1.00 2.49 H new ATOM 1091 N ALA A 74 -3.821 -12.109 -8.997 1.00 1.06 N ATOM 1092 CA ALA A 74 -4.405 -13.395 -8.640 1.00 1.22 C ATOM 1093 C ALA A 74 -4.821 -13.414 -7.164 1.00 1.20 C ATOM 1094 O ALA A 74 -5.928 -13.834 -6.830 1.00 1.41 O ATOM 1095 CB ALA A 74 -3.418 -14.509 -8.987 1.00 1.34 C ATOM 0 H ALA A 74 -2.867 -12.163 -9.355 1.00 1.06 H new ATOM 0 HA ALA A 74 -5.316 -13.561 -9.216 1.00 1.22 H new ATOM 0 HB1 ALA A 74 -3.850 -15.474 -8.722 1.00 1.34 H new ATOM 0 HB2 ALA A 74 -3.207 -14.488 -10.056 1.00 1.34 H new ATOM 0 HB3 ALA A 74 -2.492 -14.361 -8.431 1.00 1.34 H new ATOM 1101 N ALA A 75 -3.939 -12.913 -6.292 1.00 1.12 N ATOM 1102 CA ALA A 75 -4.209 -12.718 -4.860 1.00 1.16 C ATOM 1103 C ALA A 75 -4.145 -11.245 -4.436 1.00 0.99 C ATOM 1104 O ALA A 75 -4.573 -10.896 -3.338 1.00 1.21 O ATOM 1105 CB ALA A 75 -3.293 -13.592 -4.005 1.00 1.32 C ATOM 0 H ALA A 75 -2.999 -12.626 -6.565 1.00 1.12 H new ATOM 0 HA ALA A 75 -5.237 -13.036 -4.688 1.00 1.16 H new ATOM 0 HB1 ALA A 75 -3.514 -13.428 -2.950 1.00 1.32 H new ATOM 0 HB2 ALA A 75 -3.457 -14.641 -4.251 1.00 1.32 H new ATOM 0 HB3 ALA A 75 -2.253 -13.331 -4.203 1.00 1.32 H new ATOM 1111 N LYS A 76 -3.660 -10.367 -5.321 1.00 0.76 N ATOM 1112 CA LYS A 76 -3.823 -8.929 -5.233 1.00 0.67 C ATOM 1113 C LYS A 76 -3.096 -8.380 -4.007 1.00 0.79 C ATOM 1114 O LYS A 76 -3.600 -7.585 -3.220 1.00 1.21 O ATOM 1115 CB LYS A 76 -5.318 -8.676 -5.337 1.00 0.83 C ATOM 1116 CG LYS A 76 -5.758 -7.312 -5.866 1.00 1.31 C ATOM 1117 CD LYS A 76 -5.522 -6.178 -4.859 1.00 2.23 C ATOM 1118 CE LYS A 76 -6.519 -5.024 -4.991 1.00 3.09 C ATOM 1119 NZ LYS A 76 -7.829 -5.355 -4.397 1.00 4.11 N ATOM 0 H LYS A 76 -3.127 -10.657 -6.141 1.00 0.76 H new ATOM 0 HA LYS A 76 -3.349 -8.371 -6.040 1.00 0.67 H new ATOM 0 HB2 LYS A 76 -5.747 -9.443 -5.982 1.00 0.83 H new ATOM 0 HB3 LYS A 76 -5.754 -8.811 -4.347 1.00 0.83 H new ATOM 0 HG2 LYS A 76 -5.217 -7.093 -6.786 1.00 1.31 H new ATOM 0 HG3 LYS A 76 -6.817 -7.351 -6.121 1.00 1.31 H new ATOM 0 HD2 LYS A 76 -5.579 -6.583 -3.849 1.00 2.23 H new ATOM 0 HD3 LYS A 76 -4.512 -5.791 -4.991 1.00 2.23 H new ATOM 0 HE2 LYS A 76 -6.114 -4.137 -4.504 1.00 3.09 H new ATOM 0 HE3 LYS A 76 -6.650 -4.777 -6.044 1.00 3.09 H new ATOM 0 HZ1 LYS A 76 -8.272 -4.489 -4.028 1.00 4.11 H new ATOM 0 HZ2 LYS A 76 -8.443 -5.775 -5.123 1.00 4.11 H new ATOM 0 HZ3 LYS A 76 -7.696 -6.034 -3.620 1.00 4.11 H new ATOM 1133 N GLN A 77 -1.836 -8.781 -3.895 1.00 0.69 N ATOM 1134 CA GLN A 77 -0.972 -8.512 -2.759 1.00 0.78 C ATOM 1135 C GLN A 77 -0.356 -7.115 -2.867 1.00 0.88 C ATOM 1136 O GLN A 77 0.861 -6.937 -2.800 1.00 1.65 O ATOM 1137 CB GLN A 77 0.060 -9.639 -2.595 1.00 1.13 C ATOM 1138 CG GLN A 77 0.660 -10.167 -3.912 1.00 1.04 C ATOM 1139 CD GLN A 77 -0.055 -11.442 -4.372 1.00 1.00 C ATOM 1140 OE1 GLN A 77 -0.955 -11.384 -5.356 1.00 1.64 O flip ATOM 1141 NE2 GLN A 77 0.187 -12.503 -3.813 1.00 1.01 N flip ATOM 0 H GLN A 77 -1.372 -9.324 -4.623 1.00 0.69 H new ATOM 0 HA GLN A 77 -1.561 -8.505 -1.842 1.00 0.78 H new ATOM 0 HB2 GLN A 77 0.871 -9.280 -1.962 1.00 1.13 H new ATOM 0 HB3 GLN A 77 -0.411 -10.469 -2.069 1.00 1.13 H new ATOM 0 HG2 GLN A 77 0.579 -9.402 -4.684 1.00 1.04 H new ATOM 0 HG3 GLN A 77 1.722 -10.371 -3.775 1.00 1.04 H new ATOM 0 HE21 GLN A 77 0.876 -12.538 -3.062 1.00 1.01 H new ATOM 0 HE22 GLN A 77 -0.301 -13.352 -4.098 1.00 1.01 H new ATOM 1150 N GLY A 78 -1.216 -6.120 -3.079 1.00 0.92 N ATOM 1151 CA GLY A 78 -0.821 -4.842 -3.641 1.00 1.20 C ATOM 1152 C GLY A 78 0.015 -4.019 -2.674 1.00 0.95 C ATOM 1153 O GLY A 78 -0.499 -3.562 -1.655 1.00 1.10 O ATOM 0 H GLY A 78 -2.211 -6.184 -2.862 1.00 0.92 H new ATOM 0 HA2 GLY A 78 -0.253 -5.010 -4.556 1.00 1.20 H new ATOM 0 HA3 GLY A 78 -1.712 -4.278 -3.918 1.00 1.20 H new ATOM 1157 N ASN A 79 1.302 -3.833 -2.982 1.00 0.79 N ATOM 1158 CA ASN A 79 2.255 -3.229 -2.062 1.00 0.76 C ATOM 1159 C ASN A 79 3.353 -2.549 -2.865 1.00 0.86 C ATOM 1160 O ASN A 79 3.756 -3.050 -3.911 1.00 1.36 O ATOM 1161 CB ASN A 79 2.825 -4.296 -1.120 1.00 0.85 C ATOM 1162 CG ASN A 79 1.821 -4.640 -0.025 1.00 1.27 C ATOM 1163 OD1 ASN A 79 1.714 -3.925 0.965 1.00 2.97 O ATOM 1164 ND2 ASN A 79 1.046 -5.704 -0.207 1.00 1.22 N ATOM 0 H ASN A 79 1.708 -4.099 -3.879 1.00 0.79 H new ATOM 0 HA ASN A 79 1.759 -2.479 -1.446 1.00 0.76 H new ATOM 0 HB2 ASN A 79 3.074 -5.193 -1.687 1.00 0.85 H new ATOM 0 HB3 ASN A 79 3.751 -3.935 -0.671 1.00 0.85 H new ATOM 0 HD21 ASN A 79 0.339 -5.944 0.487 1.00 1.22 H new ATOM 0 HD22 ASN A 79 1.158 -6.280 -1.041 1.00 1.22 H new ATOM 1171 N GLY A 80 3.807 -1.388 -2.394 1.00 0.72 N ATOM 1172 CA GLY A 80 4.720 -0.534 -3.132 1.00 0.74 C ATOM 1173 C GLY A 80 5.559 0.286 -2.168 1.00 0.79 C ATOM 1174 O GLY A 80 5.027 1.048 -1.370 1.00 1.17 O ATOM 0 H GLY A 80 3.546 -1.016 -1.481 1.00 0.72 H new ATOM 0 HA2 GLY A 80 5.368 -1.141 -3.765 1.00 0.74 H new ATOM 0 HA3 GLY A 80 4.159 0.128 -3.792 1.00 0.74 H new ATOM 1178 N LYS A 81 6.873 0.127 -2.230 1.00 0.72 N ATOM 1179 CA LYS A 81 7.729 0.505 -1.118 1.00 0.73 C ATOM 1180 C LYS A 81 7.935 2.018 -1.042 1.00 0.80 C ATOM 1181 O LYS A 81 8.124 2.694 -2.057 1.00 1.00 O ATOM 1182 CB LYS A 81 9.053 -0.254 -1.201 1.00 0.94 C ATOM 1183 CG LYS A 81 9.920 0.074 -2.420 1.00 1.45 C ATOM 1184 CD LYS A 81 11.255 -0.654 -2.236 1.00 2.21 C ATOM 1185 CE LYS A 81 12.256 -0.264 -3.328 1.00 3.07 C ATOM 1186 NZ LYS A 81 13.650 -0.505 -2.906 1.00 4.18 N ATOM 0 H LYS A 81 7.367 -0.259 -3.035 1.00 0.72 H new ATOM 0 HA LYS A 81 7.232 0.224 -0.189 1.00 0.73 H new ATOM 0 HB2 LYS A 81 9.629 -0.046 -0.299 1.00 0.94 H new ATOM 0 HB3 LYS A 81 8.840 -1.323 -1.204 1.00 0.94 H new ATOM 0 HG2 LYS A 81 9.430 -0.248 -3.339 1.00 1.45 H new ATOM 0 HG3 LYS A 81 10.077 1.150 -2.502 1.00 1.45 H new ATOM 0 HD2 LYS A 81 11.670 -0.415 -1.257 1.00 2.21 H new ATOM 0 HD3 LYS A 81 11.090 -1.731 -2.258 1.00 2.21 H new ATOM 0 HE2 LYS A 81 12.047 -0.834 -4.233 1.00 3.07 H new ATOM 0 HE3 LYS A 81 12.129 0.789 -3.578 1.00 3.07 H new ATOM 0 HZ1 LYS A 81 14.285 0.136 -3.423 1.00 4.18 H new ATOM 0 HZ2 LYS A 81 13.739 -0.330 -1.885 1.00 4.18 H new ATOM 0 HZ3 LYS A 81 13.910 -1.491 -3.112 1.00 4.18 H new ATOM 1200 N ILE A 82 7.921 2.554 0.178 1.00 0.83 N ATOM 1201 CA ILE A 82 7.940 3.979 0.460 1.00 0.95 C ATOM 1202 C ILE A 82 9.412 4.416 0.480 1.00 0.93 C ATOM 1203 O ILE A 82 9.921 4.940 1.467 1.00 1.44 O ATOM 1204 CB ILE A 82 7.200 4.210 1.798 1.00 1.05 C ATOM 1205 CG1 ILE A 82 5.814 3.530 1.794 1.00 1.52 C ATOM 1206 CG2 ILE A 82 7.025 5.690 2.160 1.00 1.58 C ATOM 1207 CD1 ILE A 82 4.979 3.862 3.037 1.00 1.92 C ATOM 0 H ILE A 82 7.895 1.983 1.023 1.00 0.83 H new ATOM 0 HA ILE A 82 7.427 4.580 -0.291 1.00 0.95 H new ATOM 0 HB ILE A 82 7.840 3.760 2.556 1.00 1.05 H new ATOM 0 HG12 ILE A 82 5.267 3.838 0.903 1.00 1.52 H new ATOM 0 HG13 ILE A 82 5.946 2.450 1.730 1.00 1.52 H new ATOM 0 HG21 ILE A 82 6.498 5.772 3.110 1.00 1.58 H new ATOM 0 HG22 ILE A 82 8.004 6.162 2.246 1.00 1.58 H new ATOM 0 HG23 ILE A 82 6.449 6.189 1.381 1.00 1.58 H new ATOM 0 HD11 ILE A 82 4.016 3.354 2.975 1.00 1.92 H new ATOM 0 HD12 ILE A 82 5.508 3.529 3.930 1.00 1.92 H new ATOM 0 HD13 ILE A 82 4.819 4.939 3.091 1.00 1.92 H new ATOM 1219 N GLU A 83 10.098 4.195 -0.646 1.00 0.80 N ATOM 1220 CA GLU A 83 11.511 4.488 -0.808 1.00 0.81 C ATOM 1221 C GLU A 83 11.640 5.829 -1.524 1.00 1.00 C ATOM 1222 O GLU A 83 11.298 5.934 -2.707 1.00 1.57 O ATOM 1223 CB GLU A 83 12.174 3.330 -1.560 1.00 1.02 C ATOM 1224 CG GLU A 83 13.702 3.443 -1.559 1.00 1.02 C ATOM 1225 CD GLU A 83 14.307 2.117 -1.979 1.00 1.55 C ATOM 1226 OE1 GLU A 83 14.542 1.912 -3.191 1.00 1.95 O ATOM 1227 OE2 GLU A 83 14.363 1.206 -1.126 1.00 2.59 O ATOM 0 H GLU A 83 9.670 3.799 -1.483 1.00 0.80 H new ATOM 0 HA GLU A 83 12.025 4.577 0.149 1.00 0.81 H new ATOM 0 HB2 GLU A 83 11.880 2.385 -1.102 1.00 1.02 H new ATOM 0 HB3 GLU A 83 11.813 3.312 -2.588 1.00 1.02 H new ATOM 0 HG2 GLU A 83 14.019 4.232 -2.241 1.00 1.02 H new ATOM 0 HG3 GLU A 83 14.056 3.718 -0.566 1.00 1.02 H new ATOM 1234 N HIS A 84 12.025 6.866 -0.773 1.00 0.82 N ATOM 1235 CA HIS A 84 12.170 8.237 -1.264 1.00 0.86 C ATOM 1236 C HIS A 84 13.107 9.126 -0.416 1.00 0.73 C ATOM 1237 O HIS A 84 13.347 10.272 -0.797 1.00 1.12 O ATOM 1238 CB HIS A 84 10.762 8.861 -1.353 1.00 1.75 C ATOM 1239 CG HIS A 84 10.600 10.000 -2.330 1.00 1.63 C ATOM 1240 ND1 HIS A 84 11.572 10.893 -2.720 1.00 2.50 N ATOM 1241 CD2 HIS A 84 9.443 10.354 -2.969 1.00 1.97 C ATOM 1242 CE1 HIS A 84 11.018 11.740 -3.603 1.00 3.35 C ATOM 1243 NE2 HIS A 84 9.723 11.441 -3.798 1.00 3.09 N ATOM 0 H HIS A 84 12.250 6.771 0.217 1.00 0.82 H new ATOM 0 HA HIS A 84 12.649 8.186 -2.242 1.00 0.86 H new ATOM 0 HB2 HIS A 84 10.055 8.076 -1.622 1.00 1.75 H new ATOM 0 HB3 HIS A 84 10.481 9.217 -0.362 1.00 1.75 H new ATOM 0 HD1 HIS A 84 12.539 10.909 -2.397 1.00 2.50 H new ATOM 0 HD2 HIS A 84 8.482 9.876 -2.852 1.00 1.97 H new ATOM 0 HE1 HIS A 84 11.542 12.550 -4.089 1.00 3.35 H new ATOM 1251 N LEU A 85 13.544 8.695 0.775 1.00 0.70 N ATOM 1252 CA LEU A 85 13.505 9.566 1.945 1.00 0.74 C ATOM 1253 C LEU A 85 14.853 9.961 2.515 1.00 0.98 C ATOM 1254 O LEU A 85 15.840 9.238 2.387 1.00 1.29 O ATOM 1255 CB LEU A 85 12.643 8.930 3.052 1.00 0.75 C ATOM 1256 CG LEU A 85 11.178 9.175 2.730 1.00 0.81 C ATOM 1257 CD1 LEU A 85 10.220 8.166 3.368 1.00 1.47 C ATOM 1258 CD2 LEU A 85 10.760 10.604 3.086 1.00 1.56 C ATOM 0 H LEU A 85 13.922 7.763 0.947 1.00 0.70 H new ATOM 0 HA LEU A 85 13.063 10.494 1.582 1.00 0.74 H new ATOM 0 HB2 LEU A 85 12.842 7.860 3.118 1.00 0.75 H new ATOM 0 HB3 LEU A 85 12.894 9.361 4.021 1.00 0.75 H new ATOM 0 HG LEU A 85 11.097 9.034 1.652 1.00 0.81 H new ATOM 0 HD11 LEU A 85 9.195 8.411 3.089 1.00 1.47 H new ATOM 0 HD12 LEU A 85 10.462 7.163 3.017 1.00 1.47 H new ATOM 0 HD13 LEU A 85 10.320 8.205 4.453 1.00 1.47 H new ATOM 0 HD21 LEU A 85 9.707 10.746 2.843 1.00 1.56 H new ATOM 0 HD22 LEU A 85 10.913 10.773 4.152 1.00 1.56 H new ATOM 0 HD23 LEU A 85 11.362 11.312 2.517 1.00 1.56 H new ATOM 1270 N LYS A 86 14.796 11.097 3.227 1.00 1.14 N ATOM 1271 CA LYS A 86 15.850 11.829 3.906 1.00 1.58 C ATOM 1272 C LYS A 86 16.792 10.941 4.717 1.00 1.40 C ATOM 1273 O LYS A 86 17.914 11.355 5.010 1.00 1.79 O ATOM 1274 CB LYS A 86 15.229 12.940 4.784 1.00 2.12 C ATOM 1275 CG LYS A 86 14.325 12.438 5.931 1.00 2.18 C ATOM 1276 CD LYS A 86 12.818 12.485 5.636 1.00 2.69 C ATOM 1277 CE LYS A 86 12.101 13.804 6.001 1.00 3.36 C ATOM 1278 NZ LYS A 86 11.645 13.874 7.413 1.00 3.96 N ATOM 0 H LYS A 86 13.901 11.571 3.348 1.00 1.14 H new ATOM 0 HA LYS A 86 16.475 12.278 3.134 1.00 1.58 H new ATOM 0 HB2 LYS A 86 16.035 13.537 5.211 1.00 2.12 H new ATOM 0 HB3 LYS A 86 14.645 13.603 4.145 1.00 2.12 H new ATOM 0 HG2 LYS A 86 14.602 11.411 6.169 1.00 2.18 H new ATOM 0 HG3 LYS A 86 14.525 13.036 6.820 1.00 2.18 H new ATOM 0 HD2 LYS A 86 12.669 12.295 4.573 1.00 2.69 H new ATOM 0 HD3 LYS A 86 12.336 11.670 6.176 1.00 2.69 H new ATOM 0 HE2 LYS A 86 12.775 14.638 5.806 1.00 3.36 H new ATOM 0 HE3 LYS A 86 11.240 13.931 5.345 1.00 3.36 H new ATOM 0 HZ1 LYS A 86 10.723 14.353 7.457 1.00 3.96 H new ATOM 0 HZ2 LYS A 86 11.554 12.912 7.797 1.00 3.96 H new ATOM 0 HZ3 LYS A 86 12.338 14.407 7.976 1.00 3.96 H new ATOM 1292 N SER A 87 16.340 9.758 5.144 1.00 0.99 N ATOM 1293 CA SER A 87 17.206 8.862 5.909 1.00 0.94 C ATOM 1294 C SER A 87 16.846 7.402 5.633 1.00 0.96 C ATOM 1295 O SER A 87 15.666 7.113 5.431 1.00 0.95 O ATOM 1296 CB SER A 87 17.114 9.211 7.401 1.00 1.22 C ATOM 1297 OG SER A 87 17.255 10.608 7.591 1.00 1.37 O ATOM 0 H SER A 87 15.398 9.405 4.976 1.00 0.99 H new ATOM 0 HA SER A 87 18.241 8.996 5.596 1.00 0.94 H new ATOM 0 HB2 SER A 87 16.156 8.878 7.800 1.00 1.22 H new ATOM 0 HB3 SER A 87 17.891 8.682 7.953 1.00 1.22 H new ATOM 0 HG SER A 87 17.193 10.816 8.547 1.00 1.37 H new ATOM 1303 N PRO A 88 17.820 6.473 5.618 1.00 1.12 N ATOM 1304 CA PRO A 88 17.589 5.076 5.276 1.00 1.24 C ATOM 1305 C PRO A 88 16.437 4.503 6.097 1.00 1.28 C ATOM 1306 O PRO A 88 15.474 4.005 5.526 1.00 1.52 O ATOM 1307 CB PRO A 88 18.918 4.346 5.506 1.00 1.57 C ATOM 1308 CG PRO A 88 19.727 5.297 6.388 1.00 1.60 C ATOM 1309 CD PRO A 88 19.215 6.676 5.979 1.00 1.32 C ATOM 0 HA PRO A 88 17.284 4.955 4.236 1.00 1.24 H new ATOM 0 HB2 PRO A 88 18.764 3.385 5.996 1.00 1.57 H new ATOM 0 HB3 PRO A 88 19.429 4.146 4.564 1.00 1.57 H new ATOM 0 HG2 PRO A 88 19.559 5.104 7.448 1.00 1.60 H new ATOM 0 HG3 PRO A 88 20.798 5.197 6.211 1.00 1.60 H new ATOM 0 HD2 PRO A 88 19.310 7.390 6.797 1.00 1.32 H new ATOM 0 HD3 PRO A 88 19.785 7.075 5.140 1.00 1.32 H new ATOM 1317 N GLU A 89 16.503 4.666 7.421 1.00 1.31 N ATOM 1318 CA GLU A 89 15.434 4.381 8.369 1.00 1.54 C ATOM 1319 C GLU A 89 14.032 4.702 7.830 1.00 1.35 C ATOM 1320 O GLU A 89 13.105 3.907 7.969 1.00 1.60 O ATOM 1321 CB GLU A 89 15.687 5.218 9.623 1.00 1.88 C ATOM 1322 CG GLU A 89 16.981 4.865 10.362 1.00 2.03 C ATOM 1323 CD GLU A 89 17.118 5.746 11.596 1.00 3.03 C ATOM 1324 OE1 GLU A 89 16.227 5.638 12.469 1.00 4.08 O ATOM 1325 OE2 GLU A 89 18.073 6.549 11.614 1.00 3.65 O ATOM 0 H GLU A 89 17.345 5.017 7.878 1.00 1.31 H new ATOM 0 HA GLU A 89 15.449 3.310 8.573 1.00 1.54 H new ATOM 0 HB2 GLU A 89 15.717 6.271 9.343 1.00 1.88 H new ATOM 0 HB3 GLU A 89 14.846 5.093 10.305 1.00 1.88 H new ATOM 0 HG2 GLU A 89 16.972 3.814 10.652 1.00 2.03 H new ATOM 0 HG3 GLU A 89 17.838 5.007 9.704 1.00 2.03 H new ATOM 1332 N LEU A 90 13.873 5.893 7.244 1.00 1.22 N ATOM 1333 CA LEU A 90 12.582 6.392 6.794 1.00 1.16 C ATOM 1334 C LEU A 90 12.127 5.702 5.507 1.00 1.01 C ATOM 1335 O LEU A 90 10.931 5.706 5.221 1.00 1.09 O ATOM 1336 CB LEU A 90 12.632 7.920 6.609 1.00 1.15 C ATOM 1337 CG LEU A 90 12.291 8.751 7.857 1.00 1.38 C ATOM 1338 CD1 LEU A 90 10.807 8.625 8.225 1.00 1.56 C ATOM 1339 CD2 LEU A 90 13.188 8.424 9.051 1.00 2.06 C ATOM 0 H LEU A 90 14.645 6.537 7.070 1.00 1.22 H new ATOM 0 HA LEU A 90 11.847 6.158 7.564 1.00 1.16 H new ATOM 0 HB2 LEU A 90 13.632 8.195 6.273 1.00 1.15 H new ATOM 0 HB3 LEU A 90 11.941 8.194 5.812 1.00 1.15 H new ATOM 0 HG LEU A 90 12.488 9.791 7.597 1.00 1.38 H new ATOM 0 HD11 LEU A 90 10.600 9.225 9.111 1.00 1.56 H new ATOM 0 HD12 LEU A 90 10.195 8.980 7.396 1.00 1.56 H new ATOM 0 HD13 LEU A 90 10.570 7.581 8.430 1.00 1.56 H new ATOM 0 HD21 LEU A 90 12.900 9.041 9.902 1.00 2.06 H new ATOM 0 HD22 LEU A 90 13.077 7.372 9.312 1.00 2.06 H new ATOM 0 HD23 LEU A 90 14.227 8.626 8.791 1.00 2.06 H new ATOM 1351 N ASN A 91 13.043 5.128 4.717 1.00 0.90 N ATOM 1352 CA ASN A 91 12.707 4.434 3.484 1.00 0.84 C ATOM 1353 C ASN A 91 12.019 3.112 3.813 1.00 0.79 C ATOM 1354 O ASN A 91 12.626 2.041 3.761 1.00 0.93 O ATOM 1355 CB ASN A 91 13.954 4.250 2.613 1.00 1.00 C ATOM 1356 CG ASN A 91 14.416 5.595 2.066 1.00 1.16 C ATOM 1357 OD1 ASN A 91 14.080 5.954 0.942 1.00 1.88 O ATOM 1358 ND2 ASN A 91 15.123 6.393 2.862 1.00 1.14 N ATOM 0 H ASN A 91 14.042 5.136 4.923 1.00 0.90 H new ATOM 0 HA ASN A 91 12.007 5.033 2.901 1.00 0.84 H new ATOM 0 HB2 ASN A 91 14.752 3.794 3.199 1.00 1.00 H new ATOM 0 HB3 ASN A 91 13.735 3.570 1.790 1.00 1.00 H new ATOM 0 HD21 ASN A 91 15.395 7.322 2.541 1.00 1.14 H new ATOM 0 HD22 ASN A 91 15.392 6.076 3.793 1.00 1.14 H new ATOM 1365 N VAL A 92 10.745 3.222 4.188 1.00 0.93 N ATOM 1366 CA VAL A 92 9.883 2.125 4.572 1.00 0.83 C ATOM 1367 C VAL A 92 9.661 1.179 3.397 1.00 0.80 C ATOM 1368 O VAL A 92 9.473 1.625 2.264 1.00 0.93 O ATOM 1369 CB VAL A 92 8.554 2.693 5.108 1.00 0.76 C ATOM 1370 CG1 VAL A 92 7.353 1.753 4.935 1.00 0.88 C ATOM 1371 CG2 VAL A 92 8.694 3.019 6.588 1.00 1.10 C ATOM 0 H VAL A 92 10.272 4.125 4.231 1.00 0.93 H new ATOM 0 HA VAL A 92 10.357 1.543 5.363 1.00 0.83 H new ATOM 0 HB VAL A 92 8.354 3.584 4.513 1.00 0.76 H new ATOM 0 HG11 VAL A 92 6.458 2.228 5.338 1.00 0.88 H new ATOM 0 HG12 VAL A 92 7.206 1.541 3.876 1.00 0.88 H new ATOM 0 HG13 VAL A 92 7.541 0.821 5.468 1.00 0.88 H new ATOM 0 HG21 VAL A 92 7.752 3.420 6.963 1.00 1.10 H new ATOM 0 HG22 VAL A 92 8.947 2.112 7.138 1.00 1.10 H new ATOM 0 HG23 VAL A 92 9.483 3.758 6.725 1.00 1.10 H new ATOM 1381 N ASP A 93 9.608 -0.120 3.696 1.00 0.82 N ATOM 1382 CA ASP A 93 9.170 -1.132 2.747 1.00 0.76 C ATOM 1383 C ASP A 93 7.935 -1.848 3.299 1.00 0.64 C ATOM 1384 O ASP A 93 7.650 -1.789 4.497 1.00 0.78 O ATOM 1385 CB ASP A 93 10.325 -2.078 2.381 1.00 0.83 C ATOM 1386 CG ASP A 93 10.195 -2.590 0.953 1.00 0.96 C ATOM 1387 OD1 ASP A 93 11.221 -2.581 0.238 1.00 1.71 O ATOM 1388 OD2 ASP A 93 9.053 -2.937 0.583 1.00 1.93 O ATOM 0 H ASP A 93 9.870 -0.496 4.607 1.00 0.82 H new ATOM 0 HA ASP A 93 8.873 -0.663 1.809 1.00 0.76 H new ATOM 0 HB2 ASP A 93 11.275 -1.556 2.497 1.00 0.83 H new ATOM 0 HB3 ASP A 93 10.339 -2.921 3.071 1.00 0.83 H new ATOM 1393 N LEU A 94 7.186 -2.466 2.391 1.00 0.63 N ATOM 1394 CA LEU A 94 5.874 -3.068 2.567 1.00 0.69 C ATOM 1395 C LEU A 94 5.921 -4.554 2.203 1.00 0.70 C ATOM 1396 O LEU A 94 6.528 -4.934 1.206 1.00 0.86 O ATOM 1397 CB LEU A 94 4.879 -2.325 1.662 1.00 1.05 C ATOM 1398 CG LEU A 94 4.280 -1.103 2.367 1.00 0.88 C ATOM 1399 CD1 LEU A 94 3.783 -0.064 1.366 1.00 1.25 C ATOM 1400 CD2 LEU A 94 3.095 -1.558 3.216 1.00 1.93 C ATOM 0 H LEU A 94 7.513 -2.565 1.430 1.00 0.63 H new ATOM 0 HA LEU A 94 5.561 -2.987 3.608 1.00 0.69 H new ATOM 0 HB2 LEU A 94 5.383 -2.008 0.749 1.00 1.05 H new ATOM 0 HB3 LEU A 94 4.079 -3.003 1.366 1.00 1.05 H new ATOM 0 HG LEU A 94 5.058 -0.649 2.980 1.00 0.88 H new ATOM 0 HD11 LEU A 94 3.365 0.788 1.903 1.00 1.25 H new ATOM 0 HD12 LEU A 94 4.615 0.271 0.746 1.00 1.25 H new ATOM 0 HD13 LEU A 94 3.014 -0.507 0.733 1.00 1.25 H new ATOM 0 HD21 LEU A 94 2.659 -0.697 3.724 1.00 1.93 H new ATOM 0 HD22 LEU A 94 2.344 -2.020 2.575 1.00 1.93 H new ATOM 0 HD23 LEU A 94 3.435 -2.282 3.956 1.00 1.93 H new ATOM 1412 N ALA A 95 5.262 -5.405 2.996 1.00 0.71 N ATOM 1413 CA ALA A 95 5.267 -6.843 2.767 1.00 0.79 C ATOM 1414 C ALA A 95 4.277 -7.178 1.655 1.00 0.87 C ATOM 1415 O ALA A 95 3.225 -6.553 1.565 1.00 0.93 O ATOM 1416 CB ALA A 95 4.888 -7.564 4.063 1.00 0.97 C ATOM 0 H ALA A 95 4.716 -5.114 3.807 1.00 0.71 H new ATOM 0 HA ALA A 95 6.261 -7.171 2.463 1.00 0.79 H new ATOM 0 HB1 ALA A 95 4.891 -8.641 3.894 1.00 0.97 H new ATOM 0 HB2 ALA A 95 5.610 -7.317 4.841 1.00 0.97 H new ATOM 0 HB3 ALA A 95 3.893 -7.249 4.377 1.00 0.97 H new ATOM 1422 N ALA A 96 4.576 -8.184 0.828 1.00 1.00 N ATOM 1423 CA ALA A 96 3.710 -8.565 -0.283 1.00 1.18 C ATOM 1424 C ALA A 96 2.529 -9.364 0.270 1.00 1.25 C ATOM 1425 O ALA A 96 2.543 -10.591 0.283 1.00 1.97 O ATOM 1426 CB ALA A 96 4.505 -9.370 -1.311 1.00 1.42 C ATOM 0 H ALA A 96 5.420 -8.751 0.912 1.00 1.00 H new ATOM 0 HA ALA A 96 3.326 -7.679 -0.789 1.00 1.18 H new ATOM 0 HB1 ALA A 96 3.852 -9.651 -2.137 1.00 1.42 H new ATOM 0 HB2 ALA A 96 5.329 -8.765 -1.689 1.00 1.42 H new ATOM 0 HB3 ALA A 96 4.902 -10.270 -0.841 1.00 1.42 H new ATOM 1432 N ALA A 97 1.537 -8.626 0.764 1.00 0.96 N ATOM 1433 CA ALA A 97 0.449 -9.106 1.603 1.00 0.95 C ATOM 1434 C ALA A 97 -0.908 -8.947 0.924 1.00 1.00 C ATOM 1435 O ALA A 97 -1.173 -7.904 0.322 1.00 1.40 O ATOM 1436 CB ALA A 97 0.434 -8.266 2.869 1.00 1.24 C ATOM 0 H ALA A 97 1.470 -7.625 0.578 1.00 0.96 H new ATOM 0 HA ALA A 97 0.612 -10.165 1.805 1.00 0.95 H new ATOM 0 HB1 ALA A 97 -0.373 -8.603 3.520 1.00 1.24 H new ATOM 0 HB2 ALA A 97 1.387 -8.373 3.388 1.00 1.24 H new ATOM 0 HB3 ALA A 97 0.277 -7.219 2.609 1.00 1.24 H new ATOM 1442 N ASP A 98 -1.756 -9.966 1.065 1.00 0.95 N ATOM 1443 CA ASP A 98 -2.975 -10.196 0.306 1.00 1.06 C ATOM 1444 C ASP A 98 -4.155 -9.340 0.779 1.00 1.22 C ATOM 1445 O ASP A 98 -4.097 -8.634 1.791 1.00 1.59 O ATOM 1446 CB ASP A 98 -3.366 -11.684 0.422 1.00 1.21 C ATOM 1447 CG ASP A 98 -2.186 -12.641 0.309 1.00 2.31 C ATOM 1448 OD1 ASP A 98 -1.342 -12.578 1.233 1.00 3.26 O ATOM 1449 OD2 ASP A 98 -2.149 -13.404 -0.678 1.00 3.23 O ATOM 0 H ASP A 98 -1.595 -10.697 1.758 1.00 0.95 H new ATOM 0 HA ASP A 98 -2.764 -9.914 -0.726 1.00 1.06 H new ATOM 0 HB2 ASP A 98 -3.863 -11.846 1.379 1.00 1.21 H new ATOM 0 HB3 ASP A 98 -4.090 -11.921 -0.357 1.00 1.21 H new ATOM 1454 N ILE A 99 -5.253 -9.478 0.032 1.00 1.05 N ATOM 1455 CA ILE A 99 -6.621 -9.177 0.397 1.00 0.95 C ATOM 1456 C ILE A 99 -7.312 -10.536 0.469 1.00 1.14 C ATOM 1457 O ILE A 99 -7.187 -11.343 -0.450 1.00 1.78 O ATOM 1458 CB ILE A 99 -7.252 -8.249 -0.661 1.00 0.76 C ATOM 1459 CG1 ILE A 99 -8.777 -8.329 -0.694 1.00 0.86 C ATOM 1460 CG2 ILE A 99 -6.725 -8.508 -2.073 1.00 0.99 C ATOM 1461 CD1 ILE A 99 -9.409 -7.052 -1.240 1.00 1.12 C ATOM 0 H ILE A 99 -5.192 -9.834 -0.922 1.00 1.05 H new ATOM 0 HA ILE A 99 -6.710 -8.648 1.346 1.00 0.95 H new ATOM 0 HB ILE A 99 -6.955 -7.249 -0.346 1.00 0.76 H new ATOM 0 HG12 ILE A 99 -9.082 -9.175 -1.310 1.00 0.86 H new ATOM 0 HG13 ILE A 99 -9.151 -8.516 0.312 1.00 0.86 H new ATOM 0 HG21 ILE A 99 -7.206 -7.824 -2.772 1.00 0.99 H new ATOM 0 HG22 ILE A 99 -5.647 -8.349 -2.094 1.00 0.99 H new ATOM 0 HG23 ILE A 99 -6.946 -9.536 -2.361 1.00 0.99 H new ATOM 0 HD11 ILE A 99 -10.494 -7.156 -1.244 1.00 1.12 H new ATOM 0 HD12 ILE A 99 -9.128 -6.209 -0.609 1.00 1.12 H new ATOM 0 HD13 ILE A 99 -9.057 -6.878 -2.257 1.00 1.12 H new ATOM 1473 N LYS A 100 -7.995 -10.808 1.580 1.00 1.35 N ATOM 1474 CA LYS A 100 -8.731 -12.046 1.770 1.00 1.50 C ATOM 1475 C LYS A 100 -9.980 -12.047 0.882 1.00 1.38 C ATOM 1476 O LYS A 100 -10.283 -11.050 0.224 1.00 2.25 O ATOM 1477 CB LYS A 100 -9.103 -12.127 3.261 1.00 2.54 C ATOM 1478 CG LYS A 100 -7.847 -12.396 4.100 1.00 3.72 C ATOM 1479 CD LYS A 100 -8.153 -12.460 5.601 1.00 4.73 C ATOM 1480 CE LYS A 100 -8.966 -13.713 5.979 1.00 5.58 C ATOM 1481 NZ LYS A 100 -9.110 -13.858 7.443 1.00 7.00 N ATOM 0 H LYS A 100 -8.050 -10.170 2.374 1.00 1.35 H new ATOM 0 HA LYS A 100 -8.134 -12.913 1.489 1.00 1.50 H new ATOM 0 HB2 LYS A 100 -9.570 -11.195 3.579 1.00 2.54 H new ATOM 0 HB3 LYS A 100 -9.833 -12.920 3.420 1.00 2.54 H new ATOM 0 HG2 LYS A 100 -7.395 -13.336 3.783 1.00 3.72 H new ATOM 0 HG3 LYS A 100 -7.114 -11.611 3.914 1.00 3.72 H new ATOM 0 HD2 LYS A 100 -7.218 -12.454 6.161 1.00 4.73 H new ATOM 0 HD3 LYS A 100 -8.706 -11.568 5.895 1.00 4.73 H new ATOM 0 HE2 LYS A 100 -9.954 -13.656 5.521 1.00 5.58 H new ATOM 0 HE3 LYS A 100 -8.477 -14.599 5.573 1.00 5.58 H new ATOM 0 HZ1 LYS A 100 -9.663 -14.713 7.654 1.00 7.00 H new ATOM 0 HZ2 LYS A 100 -8.169 -13.938 7.878 1.00 7.00 H new ATOM 0 HZ3 LYS A 100 -9.600 -13.025 7.828 1.00 7.00 H new ATOM 1495 N PRO A 101 -10.775 -13.128 0.903 1.00 2.00 N ATOM 1496 CA PRO A 101 -12.193 -13.033 0.598 1.00 2.72 C ATOM 1497 C PRO A 101 -12.882 -12.108 1.623 1.00 2.08 C ATOM 1498 O PRO A 101 -13.604 -12.576 2.501 1.00 2.83 O ATOM 1499 CB PRO A 101 -12.709 -14.478 0.651 1.00 4.19 C ATOM 1500 CG PRO A 101 -11.756 -15.143 1.646 1.00 4.23 C ATOM 1501 CD PRO A 101 -10.424 -14.489 1.283 1.00 3.03 C ATOM 0 HA PRO A 101 -12.400 -12.595 -0.379 1.00 2.72 H new ATOM 0 HB2 PRO A 101 -13.744 -14.526 0.989 1.00 4.19 H new ATOM 0 HB3 PRO A 101 -12.671 -14.957 -0.327 1.00 4.19 H new ATOM 0 HG2 PRO A 101 -12.041 -14.946 2.680 1.00 4.23 H new ATOM 0 HG3 PRO A 101 -11.727 -16.226 1.524 1.00 4.23 H new ATOM 0 HD2 PRO A 101 -9.734 -14.500 2.127 1.00 3.03 H new ATOM 0 HD3 PRO A 101 -9.934 -15.015 0.464 1.00 3.03 H new ATOM 1509 N ASP A 102 -12.643 -10.793 1.525 1.00 1.64 N ATOM 1510 CA ASP A 102 -13.221 -9.769 2.391 1.00 1.66 C ATOM 1511 C ASP A 102 -14.742 -9.898 2.377 1.00 1.65 C ATOM 1512 O ASP A 102 -15.399 -10.006 3.411 1.00 2.64 O ATOM 1513 CB ASP A 102 -12.857 -8.362 1.875 1.00 2.15 C ATOM 1514 CG ASP A 102 -11.385 -7.982 1.940 1.00 3.71 C ATOM 1515 OD1 ASP A 102 -11.081 -6.936 1.321 1.00 4.62 O ATOM 1516 OD2 ASP A 102 -10.607 -8.714 2.589 1.00 4.83 O ATOM 0 H ASP A 102 -12.021 -10.405 0.816 1.00 1.64 H new ATOM 0 HA ASP A 102 -12.829 -9.905 3.399 1.00 1.66 H new ATOM 0 HB2 ASP A 102 -13.186 -8.281 0.839 1.00 2.15 H new ATOM 0 HB3 ASP A 102 -13.425 -7.629 2.448 1.00 2.15 H new ATOM 1521 N GLY A 103 -15.279 -9.834 1.159 1.00 1.86 N ATOM 1522 CA GLY A 103 -16.689 -9.826 0.833 1.00 2.35 C ATOM 1523 C GLY A 103 -17.006 -8.558 0.047 1.00 2.02 C ATOM 1524 O GLY A 103 -16.229 -7.606 0.045 1.00 2.97 O ATOM 0 H GLY A 103 -14.695 -9.783 0.325 1.00 1.86 H new ATOM 0 HA2 GLY A 103 -16.945 -10.708 0.246 1.00 2.35 H new ATOM 0 HA3 GLY A 103 -17.287 -9.865 1.744 1.00 2.35 H new ATOM 1528 N LYS A 104 -18.167 -8.548 -0.611 1.00 2.08 N ATOM 1529 CA LYS A 104 -18.816 -7.326 -1.082 1.00 2.04 C ATOM 1530 C LYS A 104 -17.953 -6.644 -2.147 1.00 1.93 C ATOM 1531 O LYS A 104 -17.569 -5.484 -2.012 1.00 2.46 O ATOM 1532 CB LYS A 104 -19.105 -6.409 0.123 1.00 2.24 C ATOM 1533 CG LYS A 104 -20.089 -5.272 -0.191 1.00 2.87 C ATOM 1534 CD LYS A 104 -20.015 -4.243 0.946 1.00 3.08 C ATOM 1535 CE LYS A 104 -20.964 -3.051 0.753 1.00 4.41 C ATOM 1536 NZ LYS A 104 -22.387 -3.432 0.871 1.00 5.79 N ATOM 0 H LYS A 104 -18.687 -9.397 -0.833 1.00 2.08 H new ATOM 0 HA LYS A 104 -19.768 -7.563 -1.556 1.00 2.04 H new ATOM 0 HB2 LYS A 104 -19.506 -7.011 0.939 1.00 2.24 H new ATOM 0 HB3 LYS A 104 -18.167 -5.980 0.475 1.00 2.24 H new ATOM 0 HG2 LYS A 104 -19.838 -4.805 -1.143 1.00 2.87 H new ATOM 0 HG3 LYS A 104 -21.103 -5.662 -0.285 1.00 2.87 H new ATOM 0 HD2 LYS A 104 -20.251 -4.737 1.889 1.00 3.08 H new ATOM 0 HD3 LYS A 104 -18.992 -3.874 1.026 1.00 3.08 H new ATOM 0 HE2 LYS A 104 -20.734 -2.285 1.494 1.00 4.41 H new ATOM 0 HE3 LYS A 104 -20.790 -2.608 -0.228 1.00 4.41 H new ATOM 0 HZ1 LYS A 104 -22.984 -2.592 0.733 1.00 5.79 H new ATOM 0 HZ2 LYS A 104 -22.617 -4.143 0.148 1.00 5.79 H new ATOM 0 HZ3 LYS A 104 -22.563 -3.830 1.816 1.00 5.79 H new ATOM 1550 N ARG A 105 -17.635 -7.384 -3.210 1.00 2.19 N ATOM 1551 CA ARG A 105 -16.717 -6.982 -4.269 1.00 2.21 C ATOM 1552 C ARG A 105 -15.265 -6.893 -3.790 1.00 2.12 C ATOM 1553 O ARG A 105 -14.407 -7.429 -4.482 1.00 3.12 O ATOM 1554 CB ARG A 105 -17.195 -5.756 -5.072 1.00 2.43 C ATOM 1555 CG ARG A 105 -18.426 -6.147 -5.907 1.00 3.28 C ATOM 1556 CD ARG A 105 -19.009 -4.983 -6.719 1.00 3.67 C ATOM 1557 NE ARG A 105 -19.947 -5.469 -7.752 1.00 4.92 N ATOM 1558 CZ ARG A 105 -19.606 -5.981 -8.951 1.00 6.06 C ATOM 1559 NH1 ARG A 105 -18.336 -5.977 -9.353 1.00 6.38 N ATOM 1560 NH2 ARG A 105 -20.542 -6.505 -9.749 1.00 7.33 N ATOM 0 H ARG A 105 -18.026 -8.314 -3.360 1.00 2.19 H new ATOM 0 HA ARG A 105 -16.729 -7.793 -4.997 1.00 2.21 H new ATOM 0 HB2 ARG A 105 -17.444 -4.938 -4.396 1.00 2.43 H new ATOM 0 HB3 ARG A 105 -16.397 -5.399 -5.723 1.00 2.43 H new ATOM 0 HG2 ARG A 105 -18.152 -6.953 -6.588 1.00 3.28 H new ATOM 0 HG3 ARG A 105 -19.197 -6.538 -5.243 1.00 3.28 H new ATOM 0 HD2 ARG A 105 -19.525 -4.293 -6.051 1.00 3.67 H new ATOM 0 HD3 ARG A 105 -18.201 -4.425 -7.192 1.00 3.67 H new ATOM 0 HE ARG A 105 -20.943 -5.412 -7.538 1.00 4.92 H new ATOM 0 HH11 ARG A 105 -17.612 -5.584 -8.752 1.00 6.38 H new ATOM 0 HH12 ARG A 105 -18.088 -6.367 -10.262 1.00 6.38 H new ATOM 0 HH21 ARG A 105 -21.517 -6.518 -9.451 1.00 7.33 H new ATOM 0 HH22 ARG A 105 -20.281 -6.892 -10.656 1.00 7.33 H new ATOM 1574 N HIS A 106 -14.974 -6.270 -2.642 1.00 1.70 N ATOM 1575 CA HIS A 106 -13.665 -6.239 -1.981 1.00 1.85 C ATOM 1576 C HIS A 106 -13.680 -5.158 -0.899 1.00 1.83 C ATOM 1577 O HIS A 106 -14.517 -4.258 -0.970 1.00 3.15 O ATOM 1578 CB HIS A 106 -12.526 -5.960 -2.979 1.00 2.17 C ATOM 1579 CG HIS A 106 -12.814 -4.848 -3.965 1.00 3.28 C ATOM 1580 ND1 HIS A 106 -13.267 -5.031 -5.252 1.00 4.77 N ATOM 1581 CD2 HIS A 106 -12.864 -3.504 -3.700 1.00 4.18 C ATOM 1582 CE1 HIS A 106 -13.568 -3.825 -5.757 1.00 6.07 C ATOM 1583 NE2 HIS A 106 -13.340 -2.863 -4.849 1.00 5.72 N ATOM 0 H HIS A 106 -15.680 -5.748 -2.124 1.00 1.70 H new ATOM 0 HA HIS A 106 -13.481 -7.218 -1.539 1.00 1.85 H new ATOM 0 HB2 HIS A 106 -11.624 -5.709 -2.421 1.00 2.17 H new ATOM 0 HB3 HIS A 106 -12.314 -6.874 -3.533 1.00 2.17 H new ATOM 0 HD1 HIS A 106 -13.358 -5.924 -5.736 1.00 4.77 H new ATOM 0 HD2 HIS A 106 -12.586 -3.026 -2.772 1.00 4.18 H new ATOM 0 HE1 HIS A 106 -13.942 -3.652 -6.755 1.00 6.07 H new ATOM 1591 N ALA A 107 -12.740 -5.198 0.055 1.00 1.23 N ATOM 1592 CA ALA A 107 -12.460 -4.072 0.935 1.00 1.51 C ATOM 1593 C ALA A 107 -10.993 -3.653 0.806 1.00 1.16 C ATOM 1594 O ALA A 107 -10.718 -2.599 0.233 1.00 1.32 O ATOM 1595 CB ALA A 107 -12.856 -4.399 2.378 1.00 2.56 C ATOM 0 H ALA A 107 -12.156 -6.015 0.233 1.00 1.23 H new ATOM 0 HA ALA A 107 -13.067 -3.219 0.632 1.00 1.51 H new ATOM 0 HB1 ALA A 107 -12.638 -3.544 3.018 1.00 2.56 H new ATOM 0 HB2 ALA A 107 -13.922 -4.622 2.421 1.00 2.56 H new ATOM 0 HB3 ALA A 107 -12.290 -5.264 2.723 1.00 2.56 H new ATOM 1601 N VAL A 108 -10.051 -4.440 1.340 1.00 0.96 N ATOM 1602 CA VAL A 108 -8.663 -4.009 1.500 1.00 0.86 C ATOM 1603 C VAL A 108 -7.667 -5.163 1.464 1.00 0.89 C ATOM 1604 O VAL A 108 -7.930 -6.253 1.963 1.00 0.97 O ATOM 1605 CB VAL A 108 -8.458 -3.215 2.805 1.00 0.99 C ATOM 1606 CG1 VAL A 108 -8.972 -1.782 2.683 1.00 1.15 C ATOM 1607 CG2 VAL A 108 -9.077 -3.898 4.032 1.00 1.15 C ATOM 0 H VAL A 108 -10.231 -5.388 1.671 1.00 0.96 H new ATOM 0 HA VAL A 108 -8.467 -3.365 0.643 1.00 0.86 H new ATOM 0 HB VAL A 108 -7.380 -3.188 2.962 1.00 0.99 H new ATOM 0 HG11 VAL A 108 -8.809 -1.256 3.624 1.00 1.15 H new ATOM 0 HG12 VAL A 108 -8.436 -1.270 1.883 1.00 1.15 H new ATOM 0 HG13 VAL A 108 -10.038 -1.796 2.455 1.00 1.15 H new ATOM 0 HG21 VAL A 108 -8.897 -3.288 4.917 1.00 1.15 H new ATOM 0 HG22 VAL A 108 -10.151 -4.012 3.882 1.00 1.15 H new ATOM 0 HG23 VAL A 108 -8.623 -4.880 4.170 1.00 1.15 H new ATOM 1617 N ILE A 109 -6.479 -4.879 0.926 1.00 1.10 N ATOM 1618 CA ILE A 109 -5.276 -5.628 1.180 1.00 1.21 C ATOM 1619 C ILE A 109 -4.741 -5.127 2.523 1.00 1.30 C ATOM 1620 O ILE A 109 -4.893 -3.940 2.830 1.00 1.51 O ATOM 1621 CB ILE A 109 -4.291 -5.500 -0.003 1.00 1.45 C ATOM 1622 CG1 ILE A 109 -3.319 -4.343 0.138 1.00 1.86 C ATOM 1623 CG2 ILE A 109 -4.957 -5.269 -1.359 1.00 2.98 C ATOM 1624 CD1 ILE A 109 -2.208 -4.642 1.127 1.00 2.58 C ATOM 0 H ILE A 109 -6.338 -4.098 0.286 1.00 1.10 H new ATOM 0 HA ILE A 109 -5.451 -6.701 1.254 1.00 1.21 H new ATOM 0 HB ILE A 109 -3.787 -6.466 0.030 1.00 1.45 H new ATOM 0 HG12 ILE A 109 -2.884 -4.116 -0.835 1.00 1.86 H new ATOM 0 HG13 ILE A 109 -3.860 -3.454 0.461 1.00 1.86 H new ATOM 0 HG21 ILE A 109 -4.192 -5.191 -2.132 1.00 2.98 H new ATOM 0 HG22 ILE A 109 -5.619 -6.105 -1.586 1.00 2.98 H new ATOM 0 HG23 ILE A 109 -5.536 -4.346 -1.327 1.00 2.98 H new ATOM 0 HD11 ILE A 109 -1.539 -3.784 1.193 1.00 2.58 H new ATOM 0 HD12 ILE A 109 -2.638 -4.842 2.108 1.00 2.58 H new ATOM 0 HD13 ILE A 109 -1.647 -5.515 0.792 1.00 2.58 H new ATOM 1636 N SER A 110 -4.140 -6.012 3.324 1.00 1.23 N ATOM 1637 CA SER A 110 -3.646 -5.672 4.656 1.00 1.19 C ATOM 1638 C SER A 110 -2.165 -6.039 4.765 1.00 1.15 C ATOM 1639 O SER A 110 -1.841 -7.205 4.975 1.00 1.42 O ATOM 1640 CB SER A 110 -4.501 -6.389 5.709 1.00 1.27 C ATOM 1641 OG SER A 110 -4.236 -5.884 7.004 1.00 1.65 O ATOM 0 H SER A 110 -3.983 -6.986 3.064 1.00 1.23 H new ATOM 0 HA SER A 110 -3.729 -4.600 4.832 1.00 1.19 H new ATOM 0 HB2 SER A 110 -5.558 -6.261 5.474 1.00 1.27 H new ATOM 0 HB3 SER A 110 -4.296 -7.459 5.683 1.00 1.27 H new ATOM 0 HG SER A 110 -4.793 -6.354 7.659 1.00 1.65 H new ATOM 1647 N GLY A 111 -1.270 -5.058 4.599 1.00 0.95 N ATOM 1648 CA GLY A 111 0.170 -5.272 4.620 1.00 0.98 C ATOM 1649 C GLY A 111 0.832 -4.782 5.903 1.00 0.76 C ATOM 1650 O GLY A 111 0.529 -3.698 6.399 1.00 1.03 O ATOM 0 H GLY A 111 -1.535 -4.085 4.445 1.00 0.95 H new ATOM 0 HA2 GLY A 111 0.374 -6.336 4.497 1.00 0.98 H new ATOM 0 HA3 GLY A 111 0.619 -4.760 3.769 1.00 0.98 H new ATOM 1654 N SER A 112 1.784 -5.567 6.409 1.00 0.61 N ATOM 1655 CA SER A 112 2.747 -5.129 7.405 1.00 0.58 C ATOM 1656 C SER A 112 3.818 -4.320 6.675 1.00 0.45 C ATOM 1657 O SER A 112 4.116 -4.606 5.511 1.00 0.56 O ATOM 1658 CB SER A 112 3.363 -6.360 8.082 1.00 0.88 C ATOM 1659 OG SER A 112 2.340 -7.282 8.408 1.00 1.51 O ATOM 0 H SER A 112 1.905 -6.541 6.130 1.00 0.61 H new ATOM 0 HA SER A 112 2.278 -4.516 8.175 1.00 0.58 H new ATOM 0 HB2 SER A 112 4.090 -6.827 7.418 1.00 0.88 H new ATOM 0 HB3 SER A 112 3.899 -6.062 8.983 1.00 0.88 H new ATOM 0 HG SER A 112 2.734 -8.069 8.839 1.00 1.51 H new ATOM 1665 N VAL A 113 4.378 -3.307 7.335 1.00 0.44 N ATOM 1666 CA VAL A 113 5.426 -2.473 6.775 1.00 0.43 C ATOM 1667 C VAL A 113 6.560 -2.436 7.795 1.00 0.57 C ATOM 1668 O VAL A 113 6.304 -2.612 8.988 1.00 0.77 O ATOM 1669 CB VAL A 113 4.877 -1.071 6.409 1.00 0.52 C ATOM 1670 CG1 VAL A 113 3.344 -0.947 6.490 1.00 0.66 C ATOM 1671 CG2 VAL A 113 5.438 0.028 7.310 1.00 0.65 C ATOM 0 H VAL A 113 4.110 -3.044 8.283 1.00 0.44 H new ATOM 0 HA VAL A 113 5.807 -2.879 5.838 1.00 0.43 H new ATOM 0 HB VAL A 113 5.199 -0.947 5.375 1.00 0.52 H new ATOM 0 HG11 VAL A 113 3.046 0.066 6.218 1.00 0.66 H new ATOM 0 HG12 VAL A 113 2.885 -1.657 5.803 1.00 0.66 H new ATOM 0 HG13 VAL A 113 3.015 -1.161 7.507 1.00 0.66 H new ATOM 0 HG21 VAL A 113 5.022 0.990 7.012 1.00 0.65 H new ATOM 0 HG22 VAL A 113 5.169 -0.178 8.346 1.00 0.65 H new ATOM 0 HG23 VAL A 113 6.524 0.057 7.216 1.00 0.65 H new ATOM 1681 N LEU A 114 7.792 -2.174 7.348 1.00 0.73 N ATOM 1682 CA LEU A 114 8.909 -1.962 8.257 1.00 1.11 C ATOM 1683 C LEU A 114 9.589 -0.621 8.002 1.00 1.13 C ATOM 1684 O LEU A 114 9.701 -0.173 6.860 1.00 1.21 O ATOM 1685 CB LEU A 114 9.861 -3.172 8.270 1.00 1.47 C ATOM 1686 CG LEU A 114 11.001 -3.174 7.240 1.00 1.08 C ATOM 1687 CD1 LEU A 114 11.868 -4.417 7.463 1.00 1.34 C ATOM 1688 CD2 LEU A 114 10.516 -3.180 5.790 1.00 2.15 C ATOM 0 H LEU A 114 8.035 -2.105 6.360 1.00 0.73 H new ATOM 0 HA LEU A 114 8.523 -1.894 9.274 1.00 1.11 H new ATOM 0 HB2 LEU A 114 10.302 -3.245 9.264 1.00 1.47 H new ATOM 0 HB3 LEU A 114 9.266 -4.073 8.119 1.00 1.47 H new ATOM 0 HG LEU A 114 11.560 -2.251 7.390 1.00 1.08 H new ATOM 0 HD11 LEU A 114 12.681 -4.429 6.737 1.00 1.34 H new ATOM 0 HD12 LEU A 114 12.282 -4.396 8.471 1.00 1.34 H new ATOM 0 HD13 LEU A 114 11.259 -5.312 7.340 1.00 1.34 H new ATOM 0 HD21 LEU A 114 11.375 -3.181 5.119 1.00 2.15 H new ATOM 0 HD22 LEU A 114 9.915 -4.071 5.611 1.00 2.15 H new ATOM 0 HD23 LEU A 114 9.912 -2.292 5.605 1.00 2.15 H new ATOM 1700 N TYR A 115 10.075 -0.005 9.081 1.00 1.20 N ATOM 1701 CA TYR A 115 10.853 1.223 9.121 1.00 1.34 C ATOM 1702 C TYR A 115 12.268 0.842 8.701 1.00 1.25 C ATOM 1703 O TYR A 115 13.196 0.827 9.508 1.00 1.31 O ATOM 1704 CB TYR A 115 10.766 1.783 10.550 1.00 1.54 C ATOM 1705 CG TYR A 115 11.661 2.956 10.908 1.00 1.99 C ATOM 1706 CD1 TYR A 115 12.748 2.761 11.783 1.00 3.53 C ATOM 1707 CD2 TYR A 115 11.294 4.261 10.541 1.00 2.34 C ATOM 1708 CE1 TYR A 115 13.411 3.860 12.349 1.00 4.48 C ATOM 1709 CE2 TYR A 115 11.978 5.358 11.090 1.00 3.15 C ATOM 1710 CZ TYR A 115 12.999 5.162 12.033 1.00 4.00 C ATOM 1711 OH TYR A 115 13.686 6.232 12.527 1.00 5.07 O ATOM 0 H TYR A 115 9.921 -0.384 10.016 1.00 1.20 H new ATOM 0 HA TYR A 115 10.493 2.004 8.451 1.00 1.34 H new ATOM 0 HB2 TYR A 115 9.734 2.083 10.730 1.00 1.54 H new ATOM 0 HB3 TYR A 115 10.987 0.970 11.242 1.00 1.54 H new ATOM 0 HD1 TYR A 115 13.073 1.759 12.020 1.00 3.53 H new ATOM 0 HD2 TYR A 115 10.489 4.420 9.839 1.00 2.34 H new ATOM 0 HE1 TYR A 115 14.237 3.703 13.027 1.00 4.48 H new ATOM 0 HE2 TYR A 115 11.716 6.360 10.784 1.00 3.15 H new ATOM 0 HH TYR A 115 14.599 6.228 12.170 1.00 5.07 H new ATOM 1721 N ASN A 116 12.371 0.454 7.426 1.00 1.25 N ATOM 1722 CA ASN A 116 13.556 0.026 6.699 1.00 1.29 C ATOM 1723 C ASN A 116 14.219 -1.218 7.300 1.00 1.05 C ATOM 1724 O ASN A 116 14.299 -2.246 6.635 1.00 1.15 O ATOM 1725 CB ASN A 116 14.513 1.200 6.514 1.00 1.60 C ATOM 1726 CG ASN A 116 15.572 0.866 5.475 1.00 2.15 C ATOM 1727 OD1 ASN A 116 16.704 0.536 5.821 1.00 2.64 O ATOM 1728 ND2 ASN A 116 15.211 0.940 4.197 1.00 3.07 N ATOM 0 H ASN A 116 11.546 0.432 6.827 1.00 1.25 H new ATOM 0 HA ASN A 116 13.241 -0.298 5.707 1.00 1.29 H new ATOM 0 HB2 ASN A 116 13.957 2.085 6.204 1.00 1.60 H new ATOM 0 HB3 ASN A 116 14.990 1.441 7.464 1.00 1.60 H new ATOM 0 HD21 ASN A 116 15.884 0.719 3.463 1.00 3.07 H new ATOM 0 HD22 ASN A 116 14.261 1.218 3.951 1.00 3.07 H new ATOM 1735 N GLN A 117 14.662 -1.147 8.558 1.00 0.95 N ATOM 1736 CA GLN A 117 15.126 -2.287 9.334 1.00 0.89 C ATOM 1737 C GLN A 117 14.038 -2.813 10.282 1.00 0.92 C ATOM 1738 O GLN A 117 13.913 -4.024 10.453 1.00 1.30 O ATOM 1739 CB GLN A 117 16.382 -1.921 10.138 1.00 1.04 C ATOM 1740 CG GLN A 117 17.440 -1.156 9.324 1.00 1.33 C ATOM 1741 CD GLN A 117 17.353 0.358 9.521 1.00 1.56 C ATOM 1742 OE1 GLN A 117 17.276 0.836 10.648 1.00 2.53 O ATOM 1743 NE2 GLN A 117 17.380 1.139 8.447 1.00 1.80 N ATOM 0 H GLN A 117 14.707 -0.268 9.074 1.00 0.95 H new ATOM 0 HA GLN A 117 15.370 -3.079 8.626 1.00 0.89 H new ATOM 0 HB2 GLN A 117 16.089 -1.315 10.996 1.00 1.04 H new ATOM 0 HB3 GLN A 117 16.830 -2.834 10.531 1.00 1.04 H new ATOM 0 HG2 GLN A 117 18.433 -1.500 9.613 1.00 1.33 H new ATOM 0 HG3 GLN A 117 17.317 -1.389 8.266 1.00 1.33 H new ATOM 0 HE21 GLN A 117 17.444 0.725 7.517 1.00 1.80 H new ATOM 0 HE22 GLN A 117 17.336 2.153 8.552 1.00 1.80 H new ATOM 1752 N ALA A 118 13.299 -1.923 10.962 1.00 0.95 N ATOM 1753 CA ALA A 118 12.520 -2.292 12.148 1.00 1.03 C ATOM 1754 C ALA A 118 11.019 -2.365 11.863 1.00 0.93 C ATOM 1755 O ALA A 118 10.429 -1.380 11.434 1.00 1.23 O ATOM 1756 CB ALA A 118 12.770 -1.268 13.257 1.00 1.28 C ATOM 0 H ALA A 118 13.226 -0.938 10.707 1.00 0.95 H new ATOM 0 HA ALA A 118 12.846 -3.286 12.456 1.00 1.03 H new ATOM 0 HB1 ALA A 118 12.192 -1.540 14.140 1.00 1.28 H new ATOM 0 HB2 ALA A 118 13.831 -1.255 13.507 1.00 1.28 H new ATOM 0 HB3 ALA A 118 12.466 -0.279 12.914 1.00 1.28 H new ATOM 1762 N GLU A 119 10.361 -3.488 12.156 1.00 0.88 N ATOM 1763 CA GLU A 119 8.910 -3.542 12.052 1.00 1.04 C ATOM 1764 C GLU A 119 8.287 -2.876 13.283 1.00 1.17 C ATOM 1765 O GLU A 119 8.384 -3.430 14.372 1.00 1.90 O ATOM 1766 CB GLU A 119 8.415 -4.992 11.912 1.00 1.52 C ATOM 1767 CG GLU A 119 6.962 -5.014 11.405 1.00 1.78 C ATOM 1768 CD GLU A 119 6.248 -6.323 11.713 1.00 2.69 C ATOM 1769 OE1 GLU A 119 5.864 -6.486 12.895 1.00 3.91 O ATOM 1770 OE2 GLU A 119 6.066 -7.116 10.770 1.00 2.99 O ATOM 0 H GLU A 119 10.803 -4.355 12.461 1.00 0.88 H new ATOM 0 HA GLU A 119 8.603 -3.004 11.155 1.00 1.04 H new ATOM 0 HB2 GLU A 119 9.057 -5.537 11.220 1.00 1.52 H new ATOM 0 HB3 GLU A 119 8.479 -5.500 12.874 1.00 1.52 H new ATOM 0 HG2 GLU A 119 6.411 -4.190 11.859 1.00 1.78 H new ATOM 0 HG3 GLU A 119 6.956 -4.847 10.328 1.00 1.78 H new ATOM 1777 N LYS A 120 7.608 -1.737 13.096 1.00 0.70 N ATOM 1778 CA LYS A 120 6.297 -1.438 13.650 1.00 0.66 C ATOM 1779 C LYS A 120 5.545 -0.490 12.719 1.00 0.63 C ATOM 1780 O LYS A 120 5.457 0.717 12.945 1.00 0.93 O ATOM 1781 CB LYS A 120 6.332 -0.951 15.102 1.00 1.14 C ATOM 1782 CG LYS A 120 6.335 -2.090 16.133 1.00 1.67 C ATOM 1783 CD LYS A 120 5.285 -3.183 15.884 1.00 1.93 C ATOM 1784 CE LYS A 120 5.806 -4.451 15.177 1.00 2.71 C ATOM 1785 NZ LYS A 120 4.799 -5.518 15.034 1.00 3.44 N ATOM 0 H LYS A 120 7.979 -0.973 12.531 1.00 0.70 H new ATOM 0 HA LYS A 120 5.745 -2.376 13.705 1.00 0.66 H new ATOM 0 HB2 LYS A 120 7.220 -0.337 15.249 1.00 1.14 H new ATOM 0 HB3 LYS A 120 5.468 -0.311 15.283 1.00 1.14 H new ATOM 0 HG2 LYS A 120 7.323 -2.550 16.143 1.00 1.67 H new ATOM 0 HG3 LYS A 120 6.170 -1.666 17.124 1.00 1.67 H new ATOM 0 HD2 LYS A 120 4.853 -3.473 16.842 1.00 1.93 H new ATOM 0 HD3 LYS A 120 4.479 -2.759 15.286 1.00 1.93 H new ATOM 0 HE2 LYS A 120 6.173 -4.177 14.188 1.00 2.71 H new ATOM 0 HE3 LYS A 120 6.657 -4.842 15.735 1.00 2.71 H new ATOM 0 HZ1 LYS A 120 5.020 -6.094 14.197 1.00 3.44 H new ATOM 0 HZ2 LYS A 120 4.809 -6.121 15.881 1.00 3.44 H new ATOM 0 HZ3 LYS A 120 3.856 -5.093 14.923 1.00 3.44 H new ATOM 1799 N GLY A 121 4.943 -1.073 11.683 1.00 0.49 N ATOM 1800 CA GLY A 121 3.891 -0.407 10.953 1.00 0.51 C ATOM 1801 C GLY A 121 2.994 -1.413 10.246 1.00 0.42 C ATOM 1802 O GLY A 121 3.409 -2.531 9.936 1.00 0.52 O ATOM 0 H GLY A 121 5.173 -2.005 11.338 1.00 0.49 H new ATOM 0 HA2 GLY A 121 3.296 0.198 11.637 1.00 0.51 H new ATOM 0 HA3 GLY A 121 4.326 0.274 10.222 1.00 0.51 H new ATOM 1806 N SER A 122 1.758 -0.996 9.996 1.00 0.52 N ATOM 1807 CA SER A 122 0.733 -1.753 9.305 1.00 0.51 C ATOM 1808 C SER A 122 -0.051 -0.786 8.425 1.00 0.46 C ATOM 1809 O SER A 122 -0.275 0.353 8.844 1.00 0.73 O ATOM 1810 CB SER A 122 -0.182 -2.387 10.353 1.00 0.61 C ATOM 1811 OG SER A 122 -0.592 -1.412 11.298 1.00 0.73 O ATOM 0 H SER A 122 1.432 -0.074 10.286 1.00 0.52 H new ATOM 0 HA SER A 122 1.163 -2.540 8.685 1.00 0.51 H new ATOM 0 HB2 SER A 122 -1.055 -2.824 9.868 1.00 0.61 H new ATOM 0 HB3 SER A 122 0.340 -3.198 10.860 1.00 0.61 H new ATOM 0 HG SER A 122 -1.179 -1.828 11.964 1.00 0.73 H new ATOM 1817 N TYR A 123 -0.491 -1.227 7.243 1.00 0.53 N ATOM 1818 CA TYR A 123 -1.336 -0.421 6.382 1.00 0.56 C ATOM 1819 C TYR A 123 -2.489 -1.222 5.795 1.00 0.51 C ATOM 1820 O TYR A 123 -2.480 -2.455 5.799 1.00 0.57 O ATOM 1821 CB TYR A 123 -0.497 0.329 5.332 1.00 1.02 C ATOM 1822 CG TYR A 123 -0.445 -0.183 3.906 1.00 0.73 C ATOM 1823 CD1 TYR A 123 -0.338 -1.554 3.620 1.00 1.94 C ATOM 1824 CD2 TYR A 123 -0.404 0.750 2.854 1.00 2.20 C ATOM 1825 CE1 TYR A 123 -0.332 -1.992 2.286 1.00 2.40 C ATOM 1826 CE2 TYR A 123 -0.301 0.310 1.525 1.00 2.17 C ATOM 1827 CZ TYR A 123 -0.290 -1.060 1.236 1.00 1.54 C ATOM 1828 OH TYR A 123 -0.239 -1.443 -0.070 1.00 2.09 O ATOM 0 H TYR A 123 -0.269 -2.148 6.865 1.00 0.53 H new ATOM 0 HA TYR A 123 -1.813 0.345 6.993 1.00 0.56 H new ATOM 0 HB2 TYR A 123 -0.862 1.355 5.296 1.00 1.02 H new ATOM 0 HB3 TYR A 123 0.528 0.368 5.701 1.00 1.02 H new ATOM 0 HD1 TYR A 123 -0.260 -2.270 4.425 1.00 1.94 H new ATOM 0 HD2 TYR A 123 -0.452 1.807 3.069 1.00 2.20 H new ATOM 0 HE1 TYR A 123 -0.360 -3.049 2.067 1.00 2.40 H new ATOM 0 HE2 TYR A 123 -0.230 1.030 0.723 1.00 2.17 H new ATOM 0 HH TYR A 123 -0.428 -2.402 -0.137 1.00 2.09 H new ATOM 1838 N SER A 124 -3.481 -0.492 5.295 1.00 0.55 N ATOM 1839 CA SER A 124 -4.694 -1.020 4.716 1.00 0.64 C ATOM 1840 C SER A 124 -4.887 -0.235 3.431 1.00 0.60 C ATOM 1841 O SER A 124 -4.923 0.998 3.493 1.00 0.66 O ATOM 1842 CB SER A 124 -5.856 -0.783 5.687 1.00 0.80 C ATOM 1843 OG SER A 124 -5.867 0.569 6.115 1.00 1.82 O ATOM 0 H SER A 124 -3.452 0.528 5.286 1.00 0.55 H new ATOM 0 HA SER A 124 -4.647 -2.092 4.522 1.00 0.64 H new ATOM 0 HB2 SER A 124 -6.801 -1.026 5.201 1.00 0.80 H new ATOM 0 HB3 SER A 124 -5.761 -1.444 6.548 1.00 0.80 H new ATOM 0 HG SER A 124 -5.542 1.144 5.391 1.00 1.82 H new ATOM 1849 N LEU A 125 -4.966 -0.928 2.296 1.00 0.64 N ATOM 1850 CA LEU A 125 -5.042 -0.301 0.987 1.00 0.65 C ATOM 1851 C LEU A 125 -6.099 -1.036 0.181 1.00 0.70 C ATOM 1852 O LEU A 125 -6.140 -2.257 0.197 1.00 0.81 O ATOM 1853 CB LEU A 125 -3.646 -0.334 0.361 1.00 0.67 C ATOM 1854 CG LEU A 125 -3.529 0.060 -1.112 1.00 0.67 C ATOM 1855 CD1 LEU A 125 -3.867 -1.064 -2.090 1.00 0.73 C ATOM 1856 CD2 LEU A 125 -4.227 1.365 -1.477 1.00 0.75 C ATOM 0 H LEU A 125 -4.979 -1.947 2.264 1.00 0.64 H new ATOM 0 HA LEU A 125 -5.342 0.746 1.031 1.00 0.65 H new ATOM 0 HB2 LEU A 125 -3.001 0.328 0.939 1.00 0.67 H new ATOM 0 HB3 LEU A 125 -3.250 -1.343 0.473 1.00 0.67 H new ATOM 0 HG LEU A 125 -2.463 0.254 -1.230 1.00 0.67 H new ATOM 0 HD11 LEU A 125 -3.759 -0.702 -3.112 1.00 0.73 H new ATOM 0 HD12 LEU A 125 -3.189 -1.902 -1.929 1.00 0.73 H new ATOM 0 HD13 LEU A 125 -4.894 -1.391 -1.928 1.00 0.73 H new ATOM 0 HD21 LEU A 125 -4.092 1.565 -2.540 1.00 0.75 H new ATOM 0 HD22 LEU A 125 -5.291 1.283 -1.256 1.00 0.75 H new ATOM 0 HD23 LEU A 125 -3.798 2.182 -0.897 1.00 0.75 H new ATOM 1868 N GLY A 126 -6.969 -0.300 -0.496 1.00 0.67 N ATOM 1869 CA GLY A 126 -8.114 -0.829 -1.230 1.00 0.65 C ATOM 1870 C GLY A 126 -8.050 -0.352 -2.675 1.00 0.73 C ATOM 1871 O GLY A 126 -7.141 0.380 -3.049 1.00 1.15 O ATOM 0 H GLY A 126 -6.896 0.716 -0.552 1.00 0.67 H new ATOM 0 HA2 GLY A 126 -8.112 -1.918 -1.194 1.00 0.65 H new ATOM 0 HA3 GLY A 126 -9.043 -0.497 -0.766 1.00 0.65 H new ATOM 1875 N ILE A 127 -8.989 -0.802 -3.508 1.00 0.75 N ATOM 1876 CA ILE A 127 -9.026 -0.492 -4.932 1.00 0.74 C ATOM 1877 C ILE A 127 -10.328 0.254 -5.220 1.00 0.81 C ATOM 1878 O ILE A 127 -11.391 -0.176 -4.779 1.00 1.01 O ATOM 1879 CB ILE A 127 -8.838 -1.800 -5.733 1.00 0.96 C ATOM 1880 CG1 ILE A 127 -8.710 -1.595 -7.254 1.00 1.25 C ATOM 1881 CG2 ILE A 127 -9.911 -2.845 -5.407 1.00 1.38 C ATOM 1882 CD1 ILE A 127 -10.032 -1.731 -8.019 1.00 2.57 C ATOM 0 H ILE A 127 -9.756 -1.402 -3.204 1.00 0.75 H new ATOM 0 HA ILE A 127 -8.214 0.165 -5.243 1.00 0.74 H new ATOM 0 HB ILE A 127 -7.876 -2.188 -5.399 1.00 0.96 H new ATOM 0 HG12 ILE A 127 -8.294 -0.605 -7.442 1.00 1.25 H new ATOM 0 HG13 ILE A 127 -7.998 -2.320 -7.649 1.00 1.25 H new ATOM 0 HG21 ILE A 127 -9.733 -3.745 -5.996 1.00 1.38 H new ATOM 0 HG22 ILE A 127 -9.868 -3.092 -4.346 1.00 1.38 H new ATOM 0 HG23 ILE A 127 -10.895 -2.443 -5.647 1.00 1.38 H new ATOM 0 HD11 ILE A 127 -9.855 -1.572 -9.083 1.00 2.57 H new ATOM 0 HD12 ILE A 127 -10.441 -2.729 -7.864 1.00 2.57 H new ATOM 0 HD13 ILE A 127 -10.741 -0.988 -7.655 1.00 2.57 H new ATOM 1894 N PHE A 128 -10.264 1.388 -5.926 1.00 0.84 N ATOM 1895 CA PHE A 128 -11.477 2.081 -6.331 1.00 1.04 C ATOM 1896 C PHE A 128 -12.151 1.254 -7.420 1.00 0.98 C ATOM 1897 O PHE A 128 -11.772 1.351 -8.594 1.00 1.47 O ATOM 1898 CB PHE A 128 -11.172 3.506 -6.799 1.00 2.11 C ATOM 1899 CG PHE A 128 -12.412 4.364 -6.961 1.00 2.97 C ATOM 1900 CD1 PHE A 128 -12.851 5.168 -5.893 1.00 3.60 C ATOM 1901 CD2 PHE A 128 -13.157 4.322 -8.155 1.00 4.14 C ATOM 1902 CE1 PHE A 128 -14.021 5.936 -6.023 1.00 4.64 C ATOM 1903 CE2 PHE A 128 -14.330 5.086 -8.281 1.00 5.14 C ATOM 1904 CZ PHE A 128 -14.761 5.895 -7.217 1.00 5.16 C ATOM 0 H PHE A 128 -9.396 1.835 -6.222 1.00 0.84 H new ATOM 0 HA PHE A 128 -12.153 2.182 -5.482 1.00 1.04 H new ATOM 0 HB2 PHE A 128 -10.502 3.980 -6.082 1.00 2.11 H new ATOM 0 HB3 PHE A 128 -10.642 3.463 -7.751 1.00 2.11 H new ATOM 0 HD1 PHE A 128 -12.288 5.195 -4.972 1.00 3.60 H new ATOM 0 HD2 PHE A 128 -12.827 3.702 -8.975 1.00 4.14 H new ATOM 0 HE1 PHE A 128 -14.352 6.558 -5.205 1.00 4.64 H new ATOM 0 HE2 PHE A 128 -14.901 5.051 -9.197 1.00 5.14 H new ATOM 0 HZ PHE A 128 -15.660 6.485 -7.316 1.00 5.16 H new ATOM 1914 N GLY A 129 -13.121 0.422 -7.023 1.00 1.72 N ATOM 1915 CA GLY A 129 -13.774 -0.576 -7.856 1.00 2.84 C ATOM 1916 C GLY A 129 -14.680 -0.016 -8.954 1.00 2.04 C ATOM 1917 O GLY A 129 -15.728 -0.595 -9.230 1.00 2.93 O ATOM 0 H GLY A 129 -13.483 0.432 -6.069 1.00 1.72 H new ATOM 0 HA2 GLY A 129 -13.007 -1.196 -8.321 1.00 2.84 H new ATOM 0 HA3 GLY A 129 -14.367 -1.229 -7.216 1.00 2.84 H new ATOM 1921 N GLY A 130 -14.247 1.029 -9.660 1.00 1.81 N ATOM 1922 CA GLY A 130 -14.692 1.324 -11.007 1.00 2.66 C ATOM 1923 C GLY A 130 -13.745 0.589 -11.953 1.00 2.42 C ATOM 1924 O GLY A 130 -14.007 -0.568 -12.286 1.00 2.70 O ATOM 0 H GLY A 130 -13.568 1.699 -9.300 1.00 1.81 H new ATOM 0 HA2 GLY A 130 -15.720 0.994 -11.156 1.00 2.66 H new ATOM 0 HA3 GLY A 130 -14.671 2.397 -11.195 1.00 2.66 H new ATOM 1928 N LYS A 131 -12.627 1.238 -12.319 1.00 2.29 N ATOM 1929 CA LYS A 131 -11.588 0.678 -13.189 1.00 2.15 C ATOM 1930 C LYS A 131 -10.247 0.493 -12.462 1.00 1.61 C ATOM 1931 O LYS A 131 -9.261 0.163 -13.113 1.00 1.49 O ATOM 1932 CB LYS A 131 -11.443 1.528 -14.475 1.00 2.49 C ATOM 1933 CG LYS A 131 -10.448 2.705 -14.402 1.00 2.56 C ATOM 1934 CD LYS A 131 -10.522 3.571 -15.672 1.00 3.07 C ATOM 1935 CE LYS A 131 -9.620 4.822 -15.646 1.00 3.84 C ATOM 1936 NZ LYS A 131 -8.204 4.523 -15.351 1.00 4.62 N ATOM 0 H LYS A 131 -12.419 2.187 -12.009 1.00 2.29 H new ATOM 0 HA LYS A 131 -11.906 -0.323 -13.480 1.00 2.15 H new ATOM 0 HB2 LYS A 131 -11.137 0.870 -15.288 1.00 2.49 H new ATOM 0 HB3 LYS A 131 -12.424 1.924 -14.737 1.00 2.49 H new ATOM 0 HG2 LYS A 131 -10.667 3.317 -13.527 1.00 2.56 H new ATOM 0 HG3 LYS A 131 -9.435 2.322 -14.277 1.00 2.56 H new ATOM 0 HD2 LYS A 131 -10.248 2.958 -16.531 1.00 3.07 H new ATOM 0 HD3 LYS A 131 -11.555 3.886 -15.822 1.00 3.07 H new ATOM 0 HE2 LYS A 131 -9.683 5.325 -16.611 1.00 3.84 H new ATOM 0 HE3 LYS A 131 -9.999 5.518 -14.898 1.00 3.84 H new ATOM 0 HZ1 LYS A 131 -7.595 5.215 -15.833 1.00 4.62 H new ATOM 0 HZ2 LYS A 131 -8.044 4.577 -14.325 1.00 4.62 H new ATOM 0 HZ3 LYS A 131 -7.974 3.566 -15.687 1.00 4.62 H new ATOM 1950 N ALA A 132 -10.201 0.747 -11.145 1.00 1.66 N ATOM 1951 CA ALA A 132 -8.990 0.843 -10.325 1.00 1.39 C ATOM 1952 C ALA A 132 -8.442 2.268 -10.408 1.00 1.43 C ATOM 1953 O ALA A 132 -7.246 2.484 -10.569 1.00 1.83 O ATOM 1954 CB ALA A 132 -7.921 -0.212 -10.666 1.00 1.44 C ATOM 0 H ALA A 132 -11.050 0.898 -10.600 1.00 1.66 H new ATOM 0 HA ALA A 132 -9.269 0.619 -9.295 1.00 1.39 H new ATOM 0 HB1 ALA A 132 -7.056 -0.076 -10.017 1.00 1.44 H new ATOM 0 HB2 ALA A 132 -8.334 -1.210 -10.516 1.00 1.44 H new ATOM 0 HB3 ALA A 132 -7.616 -0.098 -11.706 1.00 1.44 H new ATOM 1960 N GLN A 133 -9.350 3.243 -10.313 1.00 1.34 N ATOM 1961 CA GLN A 133 -9.086 4.646 -10.615 1.00 1.36 C ATOM 1962 C GLN A 133 -8.036 5.183 -9.658 1.00 1.06 C ATOM 1963 O GLN A 133 -7.069 5.820 -10.067 1.00 1.15 O ATOM 1964 CB GLN A 133 -10.383 5.459 -10.505 1.00 1.70 C ATOM 1965 CG GLN A 133 -11.350 5.019 -11.604 1.00 1.88 C ATOM 1966 CD GLN A 133 -12.763 5.557 -11.442 1.00 3.03 C ATOM 1967 OE1 GLN A 133 -12.987 6.652 -10.946 1.00 3.93 O ATOM 1968 NE2 GLN A 133 -13.736 4.757 -11.871 1.00 3.78 N ATOM 0 H GLN A 133 -10.311 3.071 -10.017 1.00 1.34 H new ATOM 0 HA GLN A 133 -8.711 4.734 -11.635 1.00 1.36 H new ATOM 0 HB2 GLN A 133 -10.837 5.311 -9.525 1.00 1.70 H new ATOM 0 HB3 GLN A 133 -10.168 6.523 -10.599 1.00 1.70 H new ATOM 0 HG2 GLN A 133 -10.958 5.343 -12.568 1.00 1.88 H new ATOM 0 HG3 GLN A 133 -11.388 3.930 -11.625 1.00 1.88 H new ATOM 0 HE21 GLN A 133 -13.508 3.850 -12.279 1.00 3.78 H new ATOM 0 HE22 GLN A 133 -14.710 5.050 -11.792 1.00 3.78 H new ATOM 1977 N GLU A 134 -8.246 4.870 -8.382 1.00 0.90 N ATOM 1978 CA GLU A 134 -7.358 5.176 -7.295 1.00 0.89 C ATOM 1979 C GLU A 134 -7.208 3.883 -6.510 1.00 0.80 C ATOM 1980 O GLU A 134 -8.039 2.978 -6.641 1.00 1.15 O ATOM 1981 CB GLU A 134 -7.953 6.285 -6.416 1.00 1.34 C ATOM 1982 CG GLU A 134 -8.429 7.507 -7.222 1.00 1.56 C ATOM 1983 CD GLU A 134 -8.431 8.782 -6.384 1.00 2.40 C ATOM 1984 OE1 GLU A 134 -8.482 8.654 -5.142 1.00 3.17 O ATOM 1985 OE2 GLU A 134 -8.373 9.871 -7.000 1.00 3.05 O ATOM 0 H GLU A 134 -9.083 4.373 -8.077 1.00 0.90 H new ATOM 0 HA GLU A 134 -6.393 5.539 -7.649 1.00 0.89 H new ATOM 0 HB2 GLU A 134 -8.793 5.881 -5.851 1.00 1.34 H new ATOM 0 HB3 GLU A 134 -7.205 6.605 -5.690 1.00 1.34 H new ATOM 0 HG2 GLU A 134 -7.782 7.644 -8.088 1.00 1.56 H new ATOM 0 HG3 GLU A 134 -9.434 7.321 -7.601 1.00 1.56 H new ATOM 1992 N VAL A 135 -6.169 3.814 -5.683 1.00 0.69 N ATOM 1993 CA VAL A 135 -6.042 2.799 -4.662 1.00 0.67 C ATOM 1994 C VAL A 135 -5.936 3.565 -3.345 1.00 0.84 C ATOM 1995 O VAL A 135 -4.886 4.103 -3.008 1.00 1.48 O ATOM 1996 CB VAL A 135 -4.905 1.803 -4.982 1.00 0.75 C ATOM 1997 CG1 VAL A 135 -5.243 1.031 -6.263 1.00 0.82 C ATOM 1998 CG2 VAL A 135 -3.501 2.387 -5.182 1.00 1.14 C ATOM 0 H VAL A 135 -5.389 4.470 -5.709 1.00 0.69 H new ATOM 0 HA VAL A 135 -6.900 2.130 -4.601 1.00 0.67 H new ATOM 0 HB VAL A 135 -4.857 1.186 -4.085 1.00 0.75 H new ATOM 0 HG11 VAL A 135 -4.440 0.329 -6.487 1.00 0.82 H new ATOM 0 HG12 VAL A 135 -6.175 0.484 -6.123 1.00 0.82 H new ATOM 0 HG13 VAL A 135 -5.355 1.731 -7.091 1.00 0.82 H new ATOM 0 HG21 VAL A 135 -2.800 1.582 -5.400 1.00 1.14 H new ATOM 0 HG22 VAL A 135 -3.515 3.091 -6.014 1.00 1.14 H new ATOM 0 HG23 VAL A 135 -3.189 2.904 -4.274 1.00 1.14 H new ATOM 2008 N ALA A 136 -7.065 3.724 -2.652 1.00 0.68 N ATOM 2009 CA ALA A 136 -7.133 4.529 -1.444 1.00 0.79 C ATOM 2010 C ALA A 136 -6.569 3.707 -0.290 1.00 0.81 C ATOM 2011 O ALA A 136 -6.888 2.521 -0.179 1.00 0.83 O ATOM 2012 CB ALA A 136 -8.585 4.931 -1.175 1.00 0.88 C ATOM 0 H ALA A 136 -7.953 3.297 -2.916 1.00 0.68 H new ATOM 0 HA ALA A 136 -6.548 5.442 -1.555 1.00 0.79 H new ATOM 0 HB1 ALA A 136 -8.633 5.535 -0.269 1.00 0.88 H new ATOM 0 HB2 ALA A 136 -8.964 5.510 -2.017 1.00 0.88 H new ATOM 0 HB3 ALA A 136 -9.193 4.035 -1.047 1.00 0.88 H new ATOM 2018 N GLY A 137 -5.722 4.307 0.548 1.00 0.84 N ATOM 2019 CA GLY A 137 -5.105 3.587 1.644 1.00 0.87 C ATOM 2020 C GLY A 137 -4.694 4.495 2.791 1.00 0.85 C ATOM 2021 O GLY A 137 -4.554 5.709 2.633 1.00 1.01 O ATOM 0 H GLY A 137 -5.453 5.289 0.482 1.00 0.84 H new ATOM 0 HA2 GLY A 137 -5.801 2.834 2.015 1.00 0.87 H new ATOM 0 HA3 GLY A 137 -4.227 3.056 1.275 1.00 0.87 H new ATOM 2025 N SER A 138 -4.455 3.854 3.932 1.00 0.71 N ATOM 2026 CA SER A 138 -3.965 4.481 5.142 1.00 0.64 C ATOM 2027 C SER A 138 -2.947 3.531 5.757 1.00 0.56 C ATOM 2028 O SER A 138 -3.213 2.328 5.822 1.00 0.64 O ATOM 2029 CB SER A 138 -5.128 4.711 6.112 1.00 0.84 C ATOM 2030 OG SER A 138 -6.120 5.518 5.507 1.00 1.75 O ATOM 0 H SER A 138 -4.604 2.850 4.036 1.00 0.71 H new ATOM 0 HA SER A 138 -3.508 5.447 4.927 1.00 0.64 H new ATOM 0 HB2 SER A 138 -5.558 3.754 6.408 1.00 0.84 H new ATOM 0 HB3 SER A 138 -4.763 5.191 7.020 1.00 0.84 H new ATOM 0 HG SER A 138 -6.858 5.656 6.137 1.00 1.75 H new ATOM 2036 N ALA A 139 -1.806 4.061 6.204 1.00 0.59 N ATOM 2037 CA ALA A 139 -0.867 3.340 7.055 1.00 0.61 C ATOM 2038 C ALA A 139 -0.735 4.003 8.417 1.00 0.62 C ATOM 2039 O ALA A 139 -0.760 5.233 8.519 1.00 0.67 O ATOM 2040 CB ALA A 139 0.509 3.208 6.398 1.00 0.70 C ATOM 0 H ALA A 139 -1.509 5.011 5.981 1.00 0.59 H new ATOM 0 HA ALA A 139 -1.273 2.338 7.194 1.00 0.61 H new ATOM 0 HB1 ALA A 139 1.180 2.665 7.064 1.00 0.70 H new ATOM 0 HB2 ALA A 139 0.413 2.665 5.458 1.00 0.70 H new ATOM 0 HB3 ALA A 139 0.916 4.200 6.204 1.00 0.70 H new ATOM 2046 N GLU A 140 -0.547 3.157 9.434 1.00 0.72 N ATOM 2047 CA GLU A 140 0.006 3.523 10.726 1.00 0.78 C ATOM 2048 C GLU A 140 1.414 2.932 10.761 1.00 0.76 C ATOM 2049 O GLU A 140 1.564 1.711 10.834 1.00 1.02 O ATOM 2050 CB GLU A 140 -0.878 3.025 11.884 1.00 0.93 C ATOM 2051 CG GLU A 140 -0.129 3.152 13.226 1.00 1.87 C ATOM 2052 CD GLU A 140 -1.005 3.473 14.428 1.00 2.16 C ATOM 2053 OE1 GLU A 140 -0.426 3.891 15.457 1.00 3.07 O ATOM 2054 OE2 GLU A 140 -2.248 3.421 14.338 1.00 2.66 O ATOM 0 H GLU A 140 -0.786 2.167 9.371 1.00 0.72 H new ATOM 0 HA GLU A 140 0.043 4.605 10.855 1.00 0.78 H new ATOM 0 HB2 GLU A 140 -1.801 3.603 11.920 1.00 0.93 H new ATOM 0 HB3 GLU A 140 -1.159 1.986 11.714 1.00 0.93 H new ATOM 0 HG2 GLU A 140 0.398 2.218 13.420 1.00 1.87 H new ATOM 0 HG3 GLU A 140 0.628 3.931 13.129 1.00 1.87 H new ATOM 2061 N VAL A 141 2.439 3.786 10.679 1.00 0.71 N ATOM 2062 CA VAL A 141 3.839 3.378 10.711 1.00 0.72 C ATOM 2063 C VAL A 141 4.537 4.186 11.793 1.00 0.70 C ATOM 2064 O VAL A 141 4.650 5.397 11.645 1.00 1.06 O ATOM 2065 CB VAL A 141 4.489 3.607 9.338 1.00 0.90 C ATOM 2066 CG1 VAL A 141 5.900 3.010 9.314 1.00 1.47 C ATOM 2067 CG2 VAL A 141 3.637 2.987 8.227 1.00 2.18 C ATOM 0 H VAL A 141 2.313 4.794 10.587 1.00 0.71 H new ATOM 0 HA VAL A 141 3.925 2.315 10.937 1.00 0.72 H new ATOM 0 HB VAL A 141 4.556 4.681 9.164 1.00 0.90 H new ATOM 0 HG11 VAL A 141 6.350 3.179 8.336 1.00 1.47 H new ATOM 0 HG12 VAL A 141 6.510 3.487 10.081 1.00 1.47 H new ATOM 0 HG13 VAL A 141 5.845 1.939 9.508 1.00 1.47 H new ATOM 0 HG21 VAL A 141 4.115 3.160 7.263 1.00 2.18 H new ATOM 0 HG22 VAL A 141 3.541 1.915 8.397 1.00 2.18 H new ATOM 0 HG23 VAL A 141 2.648 3.444 8.229 1.00 2.18 H new ATOM 2077 N LYS A 142 4.964 3.554 12.889 1.00 0.67 N ATOM 2078 CA LYS A 142 5.327 4.263 14.109 1.00 0.78 C ATOM 2079 C LYS A 142 6.667 3.765 14.647 1.00 0.99 C ATOM 2080 O LYS A 142 6.816 2.591 14.974 1.00 1.28 O ATOM 2081 CB LYS A 142 4.195 4.115 15.132 1.00 0.99 C ATOM 2082 CG LYS A 142 4.098 2.685 15.681 1.00 1.23 C ATOM 2083 CD LYS A 142 2.676 2.348 16.151 1.00 1.59 C ATOM 2084 CE LYS A 142 2.220 3.236 17.316 1.00 2.70 C ATOM 2085 NZ LYS A 142 0.793 3.023 17.628 1.00 3.24 N ATOM 0 H LYS A 142 5.066 2.541 12.951 1.00 0.67 H new ATOM 0 HA LYS A 142 5.456 5.324 13.896 1.00 0.78 H new ATOM 0 HB2 LYS A 142 4.358 4.809 15.956 1.00 0.99 H new ATOM 0 HB3 LYS A 142 3.248 4.390 14.667 1.00 0.99 H new ATOM 0 HG2 LYS A 142 4.402 1.978 14.909 1.00 1.23 H new ATOM 0 HG3 LYS A 142 4.793 2.567 16.513 1.00 1.23 H new ATOM 0 HD2 LYS A 142 1.984 2.463 15.317 1.00 1.59 H new ATOM 0 HD3 LYS A 142 2.635 1.303 16.457 1.00 1.59 H new ATOM 0 HE2 LYS A 142 2.823 3.020 18.198 1.00 2.70 H new ATOM 0 HE3 LYS A 142 2.387 4.283 17.064 1.00 2.70 H new ATOM 0 HZ1 LYS A 142 0.481 3.729 18.324 1.00 3.24 H new ATOM 0 HZ2 LYS A 142 0.229 3.120 16.759 1.00 3.24 H new ATOM 0 HZ3 LYS A 142 0.662 2.069 18.020 1.00 3.24 H new ATOM 2099 N THR A 143 7.637 4.666 14.769 1.00 1.12 N ATOM 2100 CA THR A 143 8.882 4.396 15.474 1.00 1.47 C ATOM 2101 C THR A 143 9.355 5.731 16.037 1.00 1.38 C ATOM 2102 O THR A 143 8.647 6.731 15.889 1.00 1.21 O ATOM 2103 CB THR A 143 9.955 3.797 14.544 1.00 1.72 C ATOM 2104 OG1 THR A 143 10.392 4.776 13.626 1.00 1.99 O ATOM 2105 CG2 THR A 143 9.524 2.530 13.802 1.00 2.33 C ATOM 0 H THR A 143 7.580 5.607 14.380 1.00 1.12 H new ATOM 0 HA THR A 143 8.716 3.660 16.260 1.00 1.47 H new ATOM 0 HB THR A 143 10.772 3.486 15.195 1.00 1.72 H new ATOM 0 HG1 THR A 143 11.137 4.420 13.098 1.00 1.99 H new ATOM 0 HG21 THR A 143 10.342 2.181 13.172 1.00 2.33 H new ATOM 0 HG22 THR A 143 9.266 1.755 14.524 1.00 2.33 H new ATOM 0 HG23 THR A 143 8.656 2.750 13.180 1.00 2.33 H new ATOM 2113 N VAL A 144 10.585 5.763 16.561 1.00 1.51 N ATOM 2114 CA VAL A 144 11.326 6.982 16.857 1.00 1.42 C ATOM 2115 C VAL A 144 11.145 8.021 15.744 1.00 1.29 C ATOM 2116 O VAL A 144 11.037 9.208 16.046 1.00 1.30 O ATOM 2117 CB VAL A 144 12.814 6.655 17.094 1.00 1.54 C ATOM 2118 CG1 VAL A 144 13.599 7.911 17.500 1.00 1.93 C ATOM 2119 CG2 VAL A 144 12.992 5.609 18.206 1.00 2.08 C ATOM 0 H VAL A 144 11.102 4.915 16.795 1.00 1.51 H new ATOM 0 HA VAL A 144 10.927 7.420 17.772 1.00 1.42 H new ATOM 0 HB VAL A 144 13.196 6.261 16.152 1.00 1.54 H new ATOM 0 HG11 VAL A 144 14.645 7.650 17.661 1.00 1.93 H new ATOM 0 HG12 VAL A 144 13.528 8.656 16.708 1.00 1.93 H new ATOM 0 HG13 VAL A 144 13.182 8.319 18.420 1.00 1.93 H new ATOM 0 HG21 VAL A 144 14.053 5.403 18.345 1.00 2.08 H new ATOM 0 HG22 VAL A 144 12.571 5.991 19.136 1.00 2.08 H new ATOM 0 HG23 VAL A 144 12.478 4.689 17.926 1.00 2.08 H new ATOM 2129 N ASN A 145 11.062 7.596 14.472 1.00 1.27 N ATOM 2130 CA ASN A 145 10.619 8.508 13.418 1.00 1.25 C ATOM 2131 C ASN A 145 9.763 7.732 12.426 1.00 1.21 C ATOM 2132 O ASN A 145 9.935 7.844 11.217 1.00 1.29 O ATOM 2133 CB ASN A 145 11.821 9.129 12.679 1.00 1.45 C ATOM 2134 CG ASN A 145 12.944 9.602 13.592 1.00 1.96 C ATOM 2135 OD1 ASN A 145 13.015 10.768 13.963 1.00 3.01 O ATOM 2136 ND2 ASN A 145 13.844 8.687 13.937 1.00 1.98 N ATOM 0 H ASN A 145 11.290 6.652 14.159 1.00 1.27 H new ATOM 0 HA ASN A 145 10.044 9.315 13.871 1.00 1.25 H new ATOM 0 HB2 ASN A 145 12.222 8.394 11.981 1.00 1.45 H new ATOM 0 HB3 ASN A 145 11.471 9.974 12.086 1.00 1.45 H new ATOM 0 HD21 ASN A 145 14.631 8.945 14.532 1.00 1.98 H new ATOM 0 HD22 ASN A 145 13.748 7.727 13.606 1.00 1.98 H new ATOM 2143 N GLY A 146 8.748 7.032 12.930 1.00 1.21 N ATOM 2144 CA GLY A 146 7.766 6.389 12.075 1.00 1.21 C ATOM 2145 C GLY A 146 6.623 7.371 11.987 1.00 0.79 C ATOM 2146 O GLY A 146 6.088 7.790 13.015 1.00 0.73 O ATOM 0 H GLY A 146 8.589 6.899 13.929 1.00 1.21 H new ATOM 0 HA2 GLY A 146 8.180 6.176 11.089 1.00 1.21 H new ATOM 0 HA3 GLY A 146 7.438 5.438 12.496 1.00 1.21 H new ATOM 2150 N ILE A 147 6.309 7.796 10.769 1.00 0.78 N ATOM 2151 CA ILE A 147 5.534 8.992 10.536 1.00 0.92 C ATOM 2152 C ILE A 147 4.033 8.710 10.656 1.00 0.93 C ATOM 2153 O ILE A 147 3.298 8.943 9.701 1.00 1.67 O ATOM 2154 CB ILE A 147 5.958 9.577 9.166 1.00 1.40 C ATOM 2155 CG1 ILE A 147 5.894 8.539 8.018 1.00 1.69 C ATOM 2156 CG2 ILE A 147 7.345 10.204 9.357 1.00 2.61 C ATOM 2157 CD1 ILE A 147 7.232 7.986 7.515 1.00 1.99 C ATOM 0 H ILE A 147 6.590 7.313 9.916 1.00 0.78 H new ATOM 0 HA ILE A 147 5.735 9.743 11.300 1.00 0.92 H new ATOM 0 HB ILE A 147 5.252 10.343 8.845 1.00 1.40 H new ATOM 0 HG12 ILE A 147 5.283 7.700 8.351 1.00 1.69 H new ATOM 0 HG13 ILE A 147 5.376 8.996 7.175 1.00 1.69 H new ATOM 0 HG21 ILE A 147 7.685 10.630 8.413 1.00 2.61 H new ATOM 0 HG22 ILE A 147 7.289 10.990 10.111 1.00 2.61 H new ATOM 0 HG23 ILE A 147 8.049 9.438 9.683 1.00 2.61 H new ATOM 0 HD11 ILE A 147 7.051 7.270 6.713 1.00 1.99 H new ATOM 0 HD12 ILE A 147 7.846 8.805 7.140 1.00 1.99 H new ATOM 0 HD13 ILE A 147 7.751 7.489 8.334 1.00 1.99 H new ATOM 2169 N ARG A 148 3.611 8.234 11.841 1.00 0.88 N ATOM 2170 CA ARG A 148 2.366 7.526 12.127 1.00 0.89 C ATOM 2171 C ARG A 148 1.415 7.468 10.937 1.00 0.93 C ATOM 2172 O ARG A 148 1.407 6.477 10.210 1.00 1.46 O ATOM 2173 CB ARG A 148 1.695 8.041 13.413 1.00 1.10 C ATOM 2174 CG ARG A 148 0.519 7.116 13.765 1.00 1.52 C ATOM 2175 CD ARG A 148 -0.234 7.514 15.034 1.00 1.81 C ATOM 2176 NE ARG A 148 -1.232 6.473 15.341 1.00 1.67 N ATOM 2177 CZ ARG A 148 -2.566 6.581 15.459 1.00 1.83 C ATOM 2178 NH1 ARG A 148 -3.180 7.767 15.402 1.00 2.30 N ATOM 2179 NH2 ARG A 148 -3.299 5.476 15.625 1.00 2.37 N ATOM 0 H ARG A 148 4.179 8.346 12.681 1.00 0.88 H new ATOM 0 HA ARG A 148 2.641 6.488 12.314 1.00 0.89 H new ATOM 0 HB2 ARG A 148 2.415 8.063 14.231 1.00 1.10 H new ATOM 0 HB3 ARG A 148 1.342 9.062 13.271 1.00 1.10 H new ATOM 0 HG2 ARG A 148 -0.181 7.103 12.930 1.00 1.52 H new ATOM 0 HG3 ARG A 148 0.894 6.099 13.882 1.00 1.52 H new ATOM 0 HD2 ARG A 148 0.461 7.627 15.866 1.00 1.81 H new ATOM 0 HD3 ARG A 148 -0.724 8.478 14.895 1.00 1.81 H new ATOM 0 HE ARG A 148 -0.855 5.536 15.484 1.00 1.67 H new ATOM 0 HH11 ARG A 148 -2.634 8.618 15.266 1.00 2.30 H new ATOM 0 HH12 ARG A 148 -4.194 7.821 15.494 1.00 2.30 H new ATOM 0 HH21 ARG A 148 -2.845 4.563 15.661 1.00 2.37 H new ATOM 0 HH22 ARG A 148 -4.313 5.545 15.716 1.00 2.37 H new ATOM 2193 N HIS A 149 0.616 8.524 10.779 1.00 0.69 N ATOM 2194 CA HIS A 149 -0.371 8.647 9.730 1.00 0.88 C ATOM 2195 C HIS A 149 0.339 8.829 8.394 1.00 0.98 C ATOM 2196 O HIS A 149 0.842 9.918 8.110 1.00 1.25 O ATOM 2197 CB HIS A 149 -1.286 9.844 10.024 1.00 1.01 C ATOM 2198 CG HIS A 149 -2.111 9.671 11.273 1.00 1.04 C ATOM 2199 ND1 HIS A 149 -3.408 9.217 11.323 1.00 2.19 N ATOM 2200 CD2 HIS A 149 -1.703 9.906 12.559 1.00 1.33 C ATOM 2201 CE1 HIS A 149 -3.770 9.180 12.615 1.00 1.95 C ATOM 2202 NE2 HIS A 149 -2.759 9.570 13.413 1.00 1.11 N ATOM 0 H HIS A 149 0.646 9.334 11.399 1.00 0.69 H new ATOM 0 HA HIS A 149 -0.983 7.746 9.685 1.00 0.88 H new ATOM 0 HB2 HIS A 149 -0.677 10.743 10.121 1.00 1.01 H new ATOM 0 HB3 HIS A 149 -1.952 10.000 9.176 1.00 1.01 H new ATOM 0 HD1 HIS A 149 -3.988 8.956 10.525 1.00 2.19 H new ATOM 0 HD2 HIS A 149 -0.737 10.284 12.860 1.00 1.33 H new ATOM 0 HE1 HIS A 149 -4.745 8.877 12.968 1.00 1.95 H new ATOM 2210 N ILE A 150 0.331 7.782 7.569 1.00 0.85 N ATOM 2211 CA ILE A 150 0.628 7.905 6.153 1.00 0.79 C ATOM 2212 C ILE A 150 -0.702 7.790 5.417 1.00 0.75 C ATOM 2213 O ILE A 150 -1.335 6.736 5.461 1.00 0.91 O ATOM 2214 CB ILE A 150 1.641 6.845 5.699 1.00 0.86 C ATOM 2215 CG1 ILE A 150 2.847 6.777 6.653 1.00 1.16 C ATOM 2216 CG2 ILE A 150 2.085 7.121 4.261 1.00 1.23 C ATOM 2217 CD1 ILE A 150 3.976 5.881 6.135 1.00 1.35 C ATOM 0 H ILE A 150 0.118 6.830 7.868 1.00 0.85 H new ATOM 0 HA ILE A 150 1.098 8.863 5.932 1.00 0.79 H new ATOM 0 HB ILE A 150 1.153 5.871 5.728 1.00 0.86 H new ATOM 0 HG12 ILE A 150 3.234 7.784 6.811 1.00 1.16 H new ATOM 0 HG13 ILE A 150 2.514 6.407 7.623 1.00 1.16 H new ATOM 0 HG21 ILE A 150 2.803 6.363 3.950 1.00 1.23 H new ATOM 0 HG22 ILE A 150 1.218 7.092 3.601 1.00 1.23 H new ATOM 0 HG23 ILE A 150 2.550 8.105 4.206 1.00 1.23 H new ATOM 0 HD11 ILE A 150 4.796 5.876 6.854 1.00 1.35 H new ATOM 0 HD12 ILE A 150 3.603 4.865 6.003 1.00 1.35 H new ATOM 0 HD13 ILE A 150 4.334 6.263 5.179 1.00 1.35 H new ATOM 2229 N GLY A 151 -1.141 8.868 4.767 1.00 0.65 N ATOM 2230 CA GLY A 151 -2.323 8.831 3.922 1.00 0.72 C ATOM 2231 C GLY A 151 -1.876 8.447 2.519 1.00 0.55 C ATOM 2232 O GLY A 151 -0.776 8.826 2.112 1.00 0.75 O ATOM 0 H GLY A 151 -0.689 9.781 4.814 1.00 0.65 H new ATOM 0 HA2 GLY A 151 -3.044 8.109 4.305 1.00 0.72 H new ATOM 0 HA3 GLY A 151 -2.818 9.802 3.914 1.00 0.72 H new ATOM 2236 N LEU A 152 -2.688 7.696 1.766 1.00 0.71 N ATOM 2237 CA LEU A 152 -2.336 7.416 0.386 1.00 1.10 C ATOM 2238 C LEU A 152 -3.556 7.302 -0.521 1.00 0.78 C ATOM 2239 O LEU A 152 -4.622 6.844 -0.114 1.00 0.64 O ATOM 2240 CB LEU A 152 -1.369 6.224 0.306 1.00 1.82 C ATOM 2241 CG LEU A 152 -2.013 4.845 0.223 1.00 0.97 C ATOM 2242 CD1 LEU A 152 -2.157 4.419 -1.247 1.00 0.77 C ATOM 2243 CD2 LEU A 152 -1.146 3.820 0.957 1.00 1.21 C ATOM 0 H LEU A 152 -3.566 7.286 2.084 1.00 0.71 H new ATOM 0 HA LEU A 152 -1.795 8.275 -0.011 1.00 1.10 H new ATOM 0 HB2 LEU A 152 -0.730 6.358 -0.567 1.00 1.82 H new ATOM 0 HB3 LEU A 152 -0.721 6.248 1.182 1.00 1.82 H new ATOM 0 HG LEU A 152 -2.998 4.892 0.687 1.00 0.97 H new ATOM 0 HD11 LEU A 152 -2.618 3.433 -1.296 1.00 0.77 H new ATOM 0 HD12 LEU A 152 -2.783 5.139 -1.775 1.00 0.77 H new ATOM 0 HD13 LEU A 152 -1.173 4.383 -1.714 1.00 0.77 H new ATOM 0 HD21 LEU A 152 -1.612 2.837 0.894 1.00 1.21 H new ATOM 0 HD22 LEU A 152 -0.158 3.783 0.498 1.00 1.21 H new ATOM 0 HD23 LEU A 152 -1.049 4.109 2.004 1.00 1.21 H new ATOM 2255 N ALA A 153 -3.363 7.727 -1.767 1.00 0.98 N ATOM 2256 CA ALA A 153 -4.278 7.555 -2.878 1.00 1.12 C ATOM 2257 C ALA A 153 -3.403 7.274 -4.096 1.00 0.92 C ATOM 2258 O ALA A 153 -2.175 7.341 -3.991 1.00 0.89 O ATOM 2259 CB ALA A 153 -5.125 8.819 -3.060 1.00 1.68 C ATOM 0 H ALA A 153 -2.516 8.227 -2.037 1.00 0.98 H new ATOM 0 HA ALA A 153 -4.980 6.737 -2.716 1.00 1.12 H new ATOM 0 HB1 ALA A 153 -5.810 8.681 -3.897 1.00 1.68 H new ATOM 0 HB2 ALA A 153 -5.696 9.008 -2.151 1.00 1.68 H new ATOM 0 HB3 ALA A 153 -4.472 9.668 -3.262 1.00 1.68 H new ATOM 2265 N ALA A 154 -4.027 6.982 -5.237 1.00 1.00 N ATOM 2266 CA ALA A 154 -3.364 6.820 -6.520 1.00 0.92 C ATOM 2267 C ALA A 154 -4.271 7.395 -7.580 1.00 0.96 C ATOM 2268 O ALA A 154 -5.405 7.735 -7.263 1.00 1.10 O ATOM 2269 CB ALA A 154 -3.124 5.342 -6.816 1.00 1.19 C ATOM 0 H ALA A 154 -5.037 6.849 -5.290 1.00 1.00 H new ATOM 0 HA ALA A 154 -2.400 7.329 -6.505 1.00 0.92 H new ATOM 0 HB1 ALA A 154 -2.627 5.240 -7.781 1.00 1.19 H new ATOM 0 HB2 ALA A 154 -2.495 4.912 -6.036 1.00 1.19 H new ATOM 0 HB3 ALA A 154 -4.079 4.817 -6.843 1.00 1.19 H new ATOM 2275 N LYS A 155 -3.774 7.498 -8.811 1.00 1.00 N ATOM 2276 CA LYS A 155 -4.549 7.997 -9.941 1.00 1.12 C ATOM 2277 C LYS A 155 -4.092 7.350 -11.239 1.00 1.31 C ATOM 2278 O LYS A 155 -2.988 7.636 -11.701 1.00 1.75 O ATOM 2279 CB LYS A 155 -4.453 9.529 -10.035 1.00 1.45 C ATOM 2280 CG LYS A 155 -5.253 10.149 -8.889 1.00 1.65 C ATOM 2281 CD LYS A 155 -5.434 11.662 -8.992 1.00 2.05 C ATOM 2282 CE LYS A 155 -6.605 12.028 -8.066 1.00 3.20 C ATOM 2283 NZ LYS A 155 -6.803 13.480 -7.918 1.00 4.32 N ATOM 0 H LYS A 155 -2.818 7.236 -9.052 1.00 1.00 H new ATOM 0 HA LYS A 155 -5.593 7.730 -9.778 1.00 1.12 H new ATOM 0 HB2 LYS A 155 -3.411 9.845 -9.981 1.00 1.45 H new ATOM 0 HB3 LYS A 155 -4.841 9.872 -10.994 1.00 1.45 H new ATOM 0 HG2 LYS A 155 -6.236 9.679 -8.853 1.00 1.65 H new ATOM 0 HG3 LYS A 155 -4.754 9.918 -7.948 1.00 1.65 H new ATOM 0 HD2 LYS A 155 -4.525 12.182 -8.691 1.00 2.05 H new ATOM 0 HD3 LYS A 155 -5.645 11.958 -10.020 1.00 2.05 H new ATOM 0 HE2 LYS A 155 -7.520 11.582 -8.456 1.00 3.20 H new ATOM 0 HE3 LYS A 155 -6.431 11.591 -7.083 1.00 3.20 H new ATOM 0 HZ1 LYS A 155 -7.607 13.658 -7.282 1.00 4.32 H new ATOM 0 HZ2 LYS A 155 -5.944 13.909 -7.518 1.00 4.32 H new ATOM 0 HZ3 LYS A 155 -6.999 13.900 -8.849 1.00 4.32 H new ATOM 2297 N GLN A 156 -4.938 6.505 -11.839 1.00 1.31 N ATOM 2298 CA GLN A 156 -4.707 5.946 -13.148 1.00 1.74 C ATOM 2299 C GLN A 156 -6.031 5.797 -13.908 1.00 2.85 C ATOM 2300 O GLN A 156 -7.060 5.472 -13.275 1.00 4.17 O ATOM 2301 CB GLN A 156 -4.027 4.593 -12.976 1.00 1.54 C ATOM 2302 CG GLN A 156 -4.730 3.812 -11.858 1.00 1.78 C ATOM 2303 CD GLN A 156 -4.119 3.953 -10.469 1.00 2.72 C ATOM 2304 OE1 GLN A 156 -2.972 4.355 -10.286 1.00 4.13 O ATOM 2305 NE2 GLN A 156 -4.902 3.595 -9.464 1.00 2.79 N ATOM 0 H GLN A 156 -5.810 6.195 -11.411 1.00 1.31 H new ATOM 0 HA GLN A 156 -4.067 6.609 -13.731 1.00 1.74 H new ATOM 0 HB2 GLN A 156 -4.068 4.031 -13.909 1.00 1.54 H new ATOM 0 HB3 GLN A 156 -2.973 4.731 -12.733 1.00 1.54 H new ATOM 0 HG2 GLN A 156 -5.770 4.136 -11.812 1.00 1.78 H new ATOM 0 HG3 GLN A 156 -4.737 2.756 -12.127 1.00 1.78 H new ATOM 0 HE21 GLN A 156 -5.850 3.265 -9.648 1.00 2.79 H new ATOM 0 HE22 GLN A 156 -4.558 3.649 -8.505 1.00 2.79 H new