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= 0.444 K(o=1.9,f=-3) USER MOD Set 1.2: A 117 GLN : amide:sc= 1.48 K(o=1.9,f=-1.6) USER MOD Set 2.1: A 40 THR OG1 : rot 180:sc= -0.067 USER MOD Set 2.2: A 76 LYS NZ :NH3+ -150:sc= 1.97 (180deg=-0.888) USER MOD Set 2.3: A 106 HIS : no HE2:sc= -3.3 K(o=-1.4,f=-24!) USER MOD Single : A 39 HIS : no HD1:sc= -1.36! X(o=-1.4!,f=-1.5) USER MOD Single : A 41 SER OG : rot -73:sc= 0.818 USER MOD Single : A 44 LYS NZ :NH3+ 150:sc= -0.76 (180deg=-1.32!) USER MOD Single : A 52 THR OG1 : rot -58:sc= 0.791 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -38:sc= 0.66 USER MOD Single : A 60 SER OG : rot 180:sc= 0.101 USER MOD Single : A 66 LYS NZ :NH3+ -139:sc= 1.26 (180deg=0.961) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.238 USER MOD Single : A 77 GLN :FLIP amide:sc= -0.384 F(o=-3.9!,f=-0.38) USER MOD Single : A 79 ASN : amide:sc= -0.683 K(o=-0.68,f=-6.9!) USER MOD Single : A 81 LYS NZ :NH3+ -123:sc= 1.38 (180deg=-1.55!) USER MOD Single : A 84 HIS : no HE2:sc= -1.05 K(o=-1,f=-3.4) USER MOD Single : A 86 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00703) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.296 X(o=-0.3,f=-0.045) 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 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 115 TYR OH : rot 169:sc= -0.0258 USER MOD Single : A 120 LYS NZ :NH3+ 171:sc= 0.68 (180deg=0.454) USER MOD Single : A 122 SER OG : rot 39:sc= 0.0564 USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 131 LYS NZ :NH3+ -155:sc= -0.262 (180deg=-3.11!) USER MOD Single : A 133 GLN :FLIP amide:sc= 0 F(o=-0.64,f=0) USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD Single : A 142 LYS NZ :NH3+ 153:sc= 0.787 (180deg=-0.305) USER MOD Single : A 143 THR OG1 : rot 51:sc= 0.0317 USER MOD Single : A 145 ASN : amide:sc= -0.189 X(o=-0.19,f=-0.049) USER MOD Single : A 149 HIS : no HE2:sc= -0.13 K(o=-0.13,f=-6.4!) USER MOD Single : A 155 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 GLN : amide:sc= -2.99! C(o=-3!,f=-9.1!) USER MOD ----------------------------------------------------------------- ATOM 560 N GLY A 37 -10.557 -14.840 -5.514 1.00 2.80 N ATOM 561 CA GLY A 37 -10.341 -13.715 -6.403 1.00 2.69 C ATOM 562 C GLY A 37 -11.551 -12.792 -6.304 1.00 2.19 C ATOM 563 O GLY A 37 -11.400 -11.614 -5.976 1.00 2.13 O ATOM 0 HA2 GLY A 37 -9.432 -13.181 -6.127 1.00 2.69 H new ATOM 0 HA3 GLY A 37 -10.209 -14.060 -7.428 1.00 2.69 H new ATOM 567 N GLU A 38 -12.750 -13.359 -6.530 1.00 2.39 N ATOM 568 CA GLU A 38 -14.061 -12.694 -6.580 1.00 2.33 C ATOM 569 C GLU A 38 -14.138 -11.357 -5.848 1.00 1.63 C ATOM 570 O GLU A 38 -14.515 -10.352 -6.437 1.00 2.31 O ATOM 571 CB GLU A 38 -15.149 -13.629 -6.034 1.00 2.83 C ATOM 572 CG GLU A 38 -15.649 -14.569 -7.131 1.00 4.42 C ATOM 573 CD GLU A 38 -16.546 -13.864 -8.139 1.00 6.37 C ATOM 574 OE1 GLU A 38 -16.193 -13.920 -9.337 1.00 7.69 O ATOM 575 OE2 GLU A 38 -17.538 -13.254 -7.690 1.00 6.88 O ATOM 0 H GLU A 38 -12.832 -14.362 -6.693 1.00 2.39 H new ATOM 0 HA GLU A 38 -14.221 -12.469 -7.634 1.00 2.33 H new ATOM 0 HB2 GLU A 38 -14.752 -14.211 -5.202 1.00 2.83 H new ATOM 0 HB3 GLU A 38 -15.980 -13.041 -5.645 1.00 2.83 H new ATOM 0 HG2 GLU A 38 -14.795 -15.003 -7.651 1.00 4.42 H new ATOM 0 HG3 GLU A 38 -16.197 -15.394 -6.676 1.00 4.42 H new ATOM 582 N HIS A 39 -13.786 -11.362 -4.563 1.00 1.22 N ATOM 583 CA HIS A 39 -13.659 -10.217 -3.686 1.00 2.04 C ATOM 584 C HIS A 39 -13.257 -8.979 -4.497 1.00 1.74 C ATOM 585 O HIS A 39 -14.031 -8.030 -4.594 1.00 2.49 O ATOM 586 CB HIS A 39 -12.641 -10.572 -2.579 1.00 3.21 C ATOM 587 CG HIS A 39 -12.940 -11.886 -1.882 1.00 4.23 C ATOM 588 ND1 HIS A 39 -13.837 -12.081 -0.857 1.00 4.41 N ATOM 589 CD2 HIS A 39 -12.534 -13.127 -2.301 1.00 5.69 C ATOM 590 CE1 HIS A 39 -13.982 -13.406 -0.686 1.00 5.44 C ATOM 591 NE2 HIS A 39 -13.232 -14.095 -1.565 1.00 6.31 N ATOM 0 H HIS A 39 -13.568 -12.234 -4.080 1.00 1.22 H new ATOM 0 HA HIS A 39 -14.609 -9.974 -3.209 1.00 2.04 H new ATOM 0 HB2 HIS A 39 -11.643 -10.620 -3.015 1.00 3.21 H new ATOM 0 HB3 HIS A 39 -12.627 -9.772 -1.839 1.00 3.21 H new ATOM 0 HD2 HIS A 39 -11.800 -13.325 -3.068 1.00 5.69 H new ATOM 0 HE1 HIS A 39 -14.618 -13.859 0.060 1.00 5.44 H new ATOM 0 HE2 HIS A 39 -13.182 -15.108 -1.673 1.00 6.31 H new ATOM 599 N THR A 40 -12.057 -9.007 -5.081 1.00 1.09 N ATOM 600 CA THR A 40 -11.632 -8.106 -6.142 1.00 1.17 C ATOM 601 C THR A 40 -12.185 -8.493 -7.524 1.00 1.49 C ATOM 602 O THR A 40 -12.810 -7.690 -8.216 1.00 2.07 O ATOM 603 CB THR A 40 -10.109 -7.879 -6.057 1.00 1.59 C ATOM 604 OG1 THR A 40 -9.743 -6.719 -6.770 1.00 3.15 O ATOM 605 CG2 THR A 40 -9.227 -9.034 -6.536 1.00 2.43 C ATOM 0 H THR A 40 -11.337 -9.679 -4.817 1.00 1.09 H new ATOM 0 HA THR A 40 -12.086 -7.127 -5.987 1.00 1.17 H new ATOM 0 HB THR A 40 -9.923 -7.782 -4.987 1.00 1.59 H new ATOM 0 HG1 THR A 40 -8.774 -6.587 -6.705 1.00 3.15 H new ATOM 0 HG21 THR A 40 -8.178 -8.759 -6.429 1.00 2.43 H new ATOM 0 HG22 THR A 40 -9.433 -9.921 -5.937 1.00 2.43 H new ATOM 0 HG23 THR A 40 -9.442 -9.245 -7.584 1.00 2.43 H new ATOM 613 N SER A 41 -11.880 -9.720 -7.949 1.00 1.32 N ATOM 614 CA SER A 41 -11.881 -10.137 -9.348 1.00 1.40 C ATOM 615 C SER A 41 -13.258 -10.207 -10.005 1.00 1.46 C ATOM 616 O SER A 41 -13.335 -10.189 -11.230 1.00 1.64 O ATOM 617 CB SER A 41 -11.157 -11.478 -9.471 1.00 1.33 C ATOM 618 OG SER A 41 -9.918 -11.403 -8.796 1.00 1.89 O ATOM 0 H SER A 41 -11.618 -10.471 -7.310 1.00 1.32 H new ATOM 0 HA SER A 41 -11.357 -9.355 -9.897 1.00 1.40 H new ATOM 0 HB2 SER A 41 -11.768 -12.275 -9.046 1.00 1.33 H new ATOM 0 HB3 SER A 41 -10.998 -11.724 -10.521 1.00 1.33 H new ATOM 0 HG SER A 41 -9.297 -10.849 -9.313 1.00 1.89 H new ATOM 624 N PHE A 42 -14.323 -10.273 -9.201 1.00 1.61 N ATOM 625 CA PHE A 42 -15.718 -10.324 -9.621 1.00 1.78 C ATOM 626 C PHE A 42 -15.979 -9.386 -10.800 1.00 1.73 C ATOM 627 O PHE A 42 -16.546 -9.793 -11.813 1.00 1.89 O ATOM 628 CB PHE A 42 -16.601 -9.960 -8.416 1.00 2.24 C ATOM 629 CG PHE A 42 -17.993 -9.486 -8.765 1.00 2.36 C ATOM 630 CD1 PHE A 42 -18.243 -8.107 -8.883 1.00 3.50 C ATOM 631 CD2 PHE A 42 -18.974 -10.417 -9.142 1.00 2.33 C ATOM 632 CE1 PHE A 42 -19.446 -7.660 -9.455 1.00 3.64 C ATOM 633 CE2 PHE A 42 -20.199 -9.968 -9.667 1.00 2.51 C ATOM 634 CZ PHE A 42 -20.429 -8.591 -9.838 1.00 2.74 C ATOM 0 H PHE A 42 -14.225 -10.293 -8.186 1.00 1.61 H new ATOM 0 HA PHE A 42 -15.959 -11.331 -9.963 1.00 1.78 H new ATOM 0 HB2 PHE A 42 -16.682 -10.832 -7.767 1.00 2.24 H new ATOM 0 HB3 PHE A 42 -16.101 -9.181 -7.841 1.00 2.24 H new ATOM 0 HD1 PHE A 42 -17.512 -7.393 -8.535 1.00 3.50 H new ATOM 0 HD2 PHE A 42 -18.788 -11.475 -9.029 1.00 2.33 H new ATOM 0 HE1 PHE A 42 -19.616 -6.603 -9.600 1.00 3.64 H new ATOM 0 HE2 PHE A 42 -20.963 -10.681 -9.939 1.00 2.51 H new ATOM 0 HZ PHE A 42 -21.361 -8.248 -10.263 1.00 2.74 H new ATOM 644 N ASP A 43 -15.568 -8.124 -10.650 1.00 1.88 N ATOM 645 CA ASP A 43 -15.788 -7.108 -11.664 1.00 2.32 C ATOM 646 C ASP A 43 -14.982 -7.446 -12.922 1.00 2.17 C ATOM 647 O ASP A 43 -15.537 -7.623 -14.005 1.00 3.04 O ATOM 648 CB ASP A 43 -15.425 -5.731 -11.079 1.00 2.73 C ATOM 649 CG ASP A 43 -15.521 -4.623 -12.115 1.00 3.50 C ATOM 650 OD1 ASP A 43 -14.726 -3.663 -12.062 1.00 3.76 O ATOM 651 OD2 ASP A 43 -16.310 -4.727 -13.075 1.00 4.80 O ATOM 0 H ASP A 43 -15.076 -7.786 -9.823 1.00 1.88 H new ATOM 0 HA ASP A 43 -16.837 -7.078 -11.959 1.00 2.32 H new ATOM 0 HB2 ASP A 43 -16.090 -5.505 -10.246 1.00 2.73 H new ATOM 0 HB3 ASP A 43 -14.412 -5.764 -10.678 1.00 2.73 H new ATOM 656 N LYS A 44 -13.654 -7.508 -12.777 1.00 1.40 N ATOM 657 CA LYS A 44 -12.722 -7.785 -13.873 1.00 1.51 C ATOM 658 C LYS A 44 -11.407 -8.360 -13.340 1.00 1.98 C ATOM 659 O LYS A 44 -10.872 -9.321 -13.883 1.00 3.66 O ATOM 660 CB LYS A 44 -12.413 -6.523 -14.720 1.00 2.19 C ATOM 661 CG LYS A 44 -13.318 -5.309 -14.464 1.00 2.58 C ATOM 662 CD LYS A 44 -12.988 -4.132 -15.391 1.00 3.84 C ATOM 663 CE LYS A 44 -13.705 -2.845 -14.951 1.00 4.11 C ATOM 664 NZ LYS A 44 -15.158 -3.030 -14.742 1.00 3.64 N ATOM 0 H LYS A 44 -13.190 -7.365 -11.880 1.00 1.40 H new ATOM 0 HA LYS A 44 -13.214 -8.516 -14.514 1.00 1.51 H new ATOM 0 HB2 LYS A 44 -11.380 -6.228 -14.535 1.00 2.19 H new ATOM 0 HB3 LYS A 44 -12.484 -6.790 -15.774 1.00 2.19 H new ATOM 0 HG2 LYS A 44 -14.359 -5.599 -14.605 1.00 2.58 H new ATOM 0 HG3 LYS A 44 -13.213 -4.992 -13.426 1.00 2.58 H new ATOM 0 HD2 LYS A 44 -11.911 -3.965 -15.398 1.00 3.84 H new ATOM 0 HD3 LYS A 44 -13.279 -4.380 -16.412 1.00 3.84 H new ATOM 0 HE2 LYS A 44 -13.255 -2.484 -14.027 1.00 4.11 H new ATOM 0 HE3 LYS A 44 -13.548 -2.073 -15.705 1.00 4.11 H new ATOM 0 HZ1 LYS A 44 -15.490 -2.370 -14.011 1.00 3.64 H new ATOM 0 HZ2 LYS A 44 -15.663 -2.844 -15.632 1.00 3.64 H new ATOM 0 HZ3 LYS A 44 -15.343 -4.007 -14.436 1.00 3.64 H new ATOM 678 N LEU A 45 -10.859 -7.670 -12.333 1.00 1.27 N ATOM 679 CA LEU A 45 -9.481 -7.711 -11.855 1.00 1.62 C ATOM 680 C LEU A 45 -8.870 -9.134 -11.871 1.00 1.89 C ATOM 681 O LEU A 45 -9.096 -9.903 -10.938 1.00 2.68 O ATOM 682 CB LEU A 45 -9.445 -7.027 -10.478 1.00 1.81 C ATOM 683 CG LEU A 45 -9.405 -5.485 -10.590 1.00 1.47 C ATOM 684 CD1 LEU A 45 -10.586 -4.852 -11.338 1.00 2.29 C ATOM 685 CD2 LEU A 45 -9.375 -4.862 -9.193 1.00 2.80 C ATOM 0 H LEU A 45 -11.420 -7.015 -11.789 1.00 1.27 H new ATOM 0 HA LEU A 45 -8.834 -7.163 -12.540 1.00 1.62 H new ATOM 0 HB2 LEU A 45 -10.322 -7.325 -9.904 1.00 1.81 H new ATOM 0 HB3 LEU A 45 -8.571 -7.372 -9.926 1.00 1.81 H new ATOM 0 HG LEU A 45 -8.504 -5.279 -11.168 1.00 1.47 H new ATOM 0 HD11 LEU A 45 -10.464 -3.769 -11.361 1.00 2.29 H new ATOM 0 HD12 LEU A 45 -10.618 -5.236 -12.358 1.00 2.29 H new ATOM 0 HD13 LEU A 45 -11.516 -5.101 -10.827 1.00 2.29 H new ATOM 0 HD21 LEU A 45 -9.347 -3.776 -9.280 1.00 2.80 H new ATOM 0 HD22 LEU A 45 -10.268 -5.159 -8.643 1.00 2.80 H new ATOM 0 HD23 LEU A 45 -8.489 -5.207 -8.660 1.00 2.80 H new ATOM 697 N PRO A 46 -8.113 -9.490 -12.927 1.00 1.54 N ATOM 698 CA PRO A 46 -7.839 -10.877 -13.307 1.00 1.83 C ATOM 699 C PRO A 46 -6.534 -11.401 -12.712 1.00 1.74 C ATOM 700 O PRO A 46 -5.995 -10.799 -11.796 1.00 1.80 O ATOM 701 CB PRO A 46 -7.716 -10.788 -14.827 1.00 2.01 C ATOM 702 CG PRO A 46 -7.023 -9.450 -15.052 1.00 1.78 C ATOM 703 CD PRO A 46 -7.705 -8.585 -13.999 1.00 1.45 C ATOM 0 HA PRO A 46 -8.610 -11.560 -12.951 1.00 1.83 H new ATOM 0 HB2 PRO A 46 -7.132 -11.615 -15.231 1.00 2.01 H new ATOM 0 HB3 PRO A 46 -8.692 -10.820 -15.311 1.00 2.01 H new ATOM 0 HG2 PRO A 46 -5.946 -9.513 -14.898 1.00 1.78 H new ATOM 0 HG3 PRO A 46 -7.179 -9.070 -16.062 1.00 1.78 H new ATOM 0 HD2 PRO A 46 -7.025 -7.820 -13.624 1.00 1.45 H new ATOM 0 HD3 PRO A 46 -8.567 -8.067 -14.420 1.00 1.45 H new ATOM 711 N GLU A 47 -5.941 -12.442 -13.309 1.00 2.18 N ATOM 712 CA GLU A 47 -4.549 -12.857 -13.119 1.00 2.48 C ATOM 713 C GLU A 47 -3.557 -11.836 -13.718 1.00 1.91 C ATOM 714 O GLU A 47 -2.664 -12.173 -14.493 1.00 2.73 O ATOM 715 CB GLU A 47 -4.368 -14.272 -13.700 1.00 3.37 C ATOM 716 CG GLU A 47 -4.874 -14.430 -15.148 1.00 3.57 C ATOM 717 CD GLU A 47 -4.433 -15.748 -15.774 1.00 4.63 C ATOM 718 OE1 GLU A 47 -4.407 -15.796 -17.022 1.00 5.31 O ATOM 719 OE2 GLU A 47 -4.149 -16.687 -14.999 1.00 5.30 O ATOM 0 H GLU A 47 -6.441 -13.042 -13.965 1.00 2.18 H new ATOM 0 HA GLU A 47 -4.322 -12.888 -12.053 1.00 2.48 H new ATOM 0 HB2 GLU A 47 -3.311 -14.534 -13.666 1.00 3.37 H new ATOM 0 HB3 GLU A 47 -4.894 -14.984 -13.064 1.00 3.37 H new ATOM 0 HG2 GLU A 47 -5.962 -14.371 -15.159 1.00 3.57 H new ATOM 0 HG3 GLU A 47 -4.504 -13.602 -15.752 1.00 3.57 H new ATOM 726 N GLY A 48 -3.735 -10.560 -13.378 1.00 1.53 N ATOM 727 CA GLY A 48 -3.081 -9.431 -14.022 1.00 2.01 C ATOM 728 C GLY A 48 -1.569 -9.326 -13.798 1.00 1.40 C ATOM 729 O GLY A 48 -0.912 -8.590 -14.535 1.00 2.75 O ATOM 0 H GLY A 48 -4.359 -10.279 -12.622 1.00 1.53 H new ATOM 0 HA2 GLY A 48 -3.268 -9.489 -15.094 1.00 2.01 H new ATOM 0 HA3 GLY A 48 -3.548 -8.512 -13.666 1.00 2.01 H new ATOM 733 N GLY A 49 -0.983 -9.983 -12.791 1.00 1.26 N ATOM 734 CA GLY A 49 0.468 -10.033 -12.652 1.00 0.99 C ATOM 735 C GLY A 49 1.044 -8.787 -11.976 1.00 1.00 C ATOM 736 O GLY A 49 1.838 -8.904 -11.044 1.00 1.62 O ATOM 0 H GLY A 49 -1.494 -10.485 -12.064 1.00 1.26 H new ATOM 0 HA2 GLY A 49 0.742 -10.914 -12.072 1.00 0.99 H new ATOM 0 HA3 GLY A 49 0.919 -10.147 -13.638 1.00 0.99 H new ATOM 740 N ARG A 50 0.679 -7.591 -12.450 1.00 0.73 N ATOM 741 CA ARG A 50 1.099 -6.325 -11.860 1.00 0.74 C ATOM 742 C ARG A 50 -0.063 -5.336 -11.775 1.00 0.91 C ATOM 743 O ARG A 50 -1.065 -5.465 -12.476 1.00 1.60 O ATOM 744 CB ARG A 50 2.264 -5.711 -12.649 1.00 0.81 C ATOM 745 CG ARG A 50 3.557 -6.521 -12.492 1.00 1.86 C ATOM 746 CD ARG A 50 4.761 -5.659 -12.890 1.00 2.03 C ATOM 747 NE ARG A 50 6.021 -6.403 -12.757 1.00 2.94 N ATOM 748 CZ ARG A 50 7.250 -5.869 -12.875 1.00 4.05 C ATOM 749 NH1 ARG A 50 7.403 -4.567 -13.144 1.00 4.70 N ATOM 750 NH2 ARG A 50 8.326 -6.649 -12.721 1.00 5.07 N ATOM 0 H ARG A 50 0.076 -7.479 -13.265 1.00 0.73 H new ATOM 0 HA ARG A 50 1.439 -6.535 -10.846 1.00 0.74 H new ATOM 0 HB2 ARG A 50 1.997 -5.656 -13.704 1.00 0.81 H new ATOM 0 HB3 ARG A 50 2.433 -4.689 -12.309 1.00 0.81 H new ATOM 0 HG2 ARG A 50 3.664 -6.857 -11.461 1.00 1.86 H new ATOM 0 HG3 ARG A 50 3.516 -7.414 -13.115 1.00 1.86 H new ATOM 0 HD2 ARG A 50 4.644 -5.321 -13.919 1.00 2.03 H new ATOM 0 HD3 ARG A 50 4.795 -4.768 -12.263 1.00 2.03 H new ATOM 0 HE ARG A 50 5.959 -7.402 -12.560 1.00 2.94 H new ATOM 0 HH11 ARG A 50 6.584 -3.971 -13.261 1.00 4.70 H new ATOM 0 HH12 ARG A 50 8.339 -4.171 -13.232 1.00 4.70 H new ATOM 0 HH21 ARG A 50 8.211 -7.641 -12.516 1.00 5.07 H new ATOM 0 HH22 ARG A 50 9.261 -6.251 -12.809 1.00 5.07 H new ATOM 764 N ALA A 51 0.128 -4.319 -10.929 1.00 1.12 N ATOM 765 CA ALA A 51 -0.697 -3.127 -10.835 1.00 1.34 C ATOM 766 C ALA A 51 -0.308 -2.193 -11.975 1.00 0.88 C ATOM 767 O ALA A 51 0.576 -2.517 -12.767 1.00 1.68 O ATOM 768 CB ALA A 51 -0.493 -2.441 -9.476 1.00 2.55 C ATOM 0 H ALA A 51 0.900 -4.311 -10.263 1.00 1.12 H new ATOM 0 HA ALA A 51 -1.752 -3.391 -10.915 1.00 1.34 H new ATOM 0 HB1 ALA A 51 -1.118 -1.550 -9.421 1.00 2.55 H new ATOM 0 HB2 ALA A 51 -0.770 -3.128 -8.676 1.00 2.55 H new ATOM 0 HB3 ALA A 51 0.554 -2.158 -9.365 1.00 2.55 H new ATOM 774 N THR A 52 -0.944 -1.024 -12.068 1.00 0.88 N ATOM 775 CA THR A 52 -0.413 0.014 -12.936 1.00 1.14 C ATOM 776 C THR A 52 -0.632 1.401 -12.323 1.00 1.62 C ATOM 777 O THR A 52 -1.160 2.292 -12.987 1.00 2.43 O ATOM 778 CB THR A 52 -1.093 -0.136 -14.317 1.00 1.48 C ATOM 779 OG1 THR A 52 -0.699 0.896 -15.196 1.00 2.13 O ATOM 780 CG2 THR A 52 -2.632 -0.167 -14.236 1.00 1.35 C ATOM 0 H THR A 52 -1.800 -0.782 -11.569 1.00 0.88 H new ATOM 0 HA THR A 52 0.665 -0.093 -13.055 1.00 1.14 H new ATOM 0 HB THR A 52 -0.759 -1.100 -14.702 1.00 1.48 H new ATOM 0 HG1 THR A 52 -0.919 1.765 -14.800 1.00 2.13 H new ATOM 0 HG21 THR A 52 -3.047 -0.274 -15.238 1.00 1.35 H new ATOM 0 HG22 THR A 52 -2.947 -1.010 -13.621 1.00 1.35 H new ATOM 0 HG23 THR A 52 -2.992 0.761 -13.791 1.00 1.35 H new ATOM 788 N TYR A 53 -0.163 1.610 -11.089 1.00 1.54 N ATOM 789 CA TYR A 53 -0.440 2.821 -10.329 1.00 2.04 C ATOM 790 C TYR A 53 0.795 3.645 -9.982 1.00 1.83 C ATOM 791 O TYR A 53 1.911 3.132 -9.900 1.00 2.23 O ATOM 792 CB TYR A 53 -1.281 2.476 -9.098 1.00 2.33 C ATOM 793 CG TYR A 53 -0.731 1.465 -8.120 1.00 2.24 C ATOM 794 CD1 TYR A 53 -1.452 0.280 -7.885 1.00 2.31 C ATOM 795 CD2 TYR A 53 0.305 1.833 -7.245 1.00 3.63 C ATOM 796 CE1 TYR A 53 -1.131 -0.541 -6.793 1.00 2.92 C ATOM 797 CE2 TYR A 53 0.631 1.000 -6.166 1.00 4.54 C ATOM 798 CZ TYR A 53 -0.084 -0.181 -5.931 1.00 3.98 C ATOM 799 OH TYR A 53 0.230 -0.956 -4.856 1.00 5.16 O ATOM 0 H TYR A 53 0.421 0.938 -10.592 1.00 1.54 H new ATOM 0 HA TYR A 53 -1.015 3.480 -10.980 1.00 2.04 H new ATOM 0 HB2 TYR A 53 -1.467 3.401 -8.552 1.00 2.33 H new ATOM 0 HB3 TYR A 53 -2.247 2.111 -9.446 1.00 2.33 H new ATOM 0 HD1 TYR A 53 -2.257 0.001 -8.549 1.00 2.31 H new ATOM 0 HD2 TYR A 53 0.848 2.753 -7.403 1.00 3.63 H new ATOM 0 HE1 TYR A 53 -1.689 -1.449 -6.616 1.00 2.92 H new ATOM 0 HE2 TYR A 53 1.443 1.272 -5.508 1.00 4.54 H new ATOM 0 HH TYR A 53 0.981 -0.554 -4.372 1.00 5.16 H new ATOM 809 N ARG A 54 0.564 4.944 -9.775 1.00 1.49 N ATOM 810 CA ARG A 54 1.560 5.924 -9.373 1.00 1.36 C ATOM 811 C ARG A 54 0.976 6.630 -8.157 1.00 1.19 C ATOM 812 O ARG A 54 0.060 7.435 -8.315 1.00 1.49 O ATOM 813 CB ARG A 54 1.797 6.920 -10.519 1.00 1.70 C ATOM 814 CG ARG A 54 2.260 6.218 -11.802 1.00 1.64 C ATOM 815 CD ARG A 54 2.574 7.259 -12.883 1.00 2.08 C ATOM 816 NE ARG A 54 2.798 6.636 -14.199 1.00 2.68 N ATOM 817 CZ ARG A 54 1.831 6.212 -15.031 1.00 3.30 C ATOM 818 NH1 ARG A 54 0.547 6.289 -14.659 1.00 4.13 N ATOM 819 NH2 ARG A 54 2.152 5.714 -16.231 1.00 4.43 N ATOM 0 H ARG A 54 -0.364 5.353 -9.889 1.00 1.49 H new ATOM 0 HA ARG A 54 2.520 5.464 -9.138 1.00 1.36 H new ATOM 0 HB2 ARG A 54 0.877 7.470 -10.718 1.00 1.70 H new ATOM 0 HB3 ARG A 54 2.546 7.651 -10.215 1.00 1.70 H new ATOM 0 HG2 ARG A 54 3.145 5.615 -11.598 1.00 1.64 H new ATOM 0 HG3 ARG A 54 1.485 5.538 -12.154 1.00 1.64 H new ATOM 0 HD2 ARG A 54 1.750 7.969 -12.953 1.00 2.08 H new ATOM 0 HD3 ARG A 54 3.459 7.826 -12.595 1.00 2.08 H new ATOM 0 HE ARG A 54 3.764 6.517 -14.503 1.00 2.68 H new ATOM 0 HH11 ARG A 54 0.303 6.669 -13.745 1.00 4.13 H new ATOM 0 HH12 ARG A 54 -0.187 5.967 -15.290 1.00 4.13 H new ATOM 0 HH21 ARG A 54 3.130 5.656 -16.514 1.00 4.43 H new ATOM 0 HH22 ARG A 54 1.418 5.392 -16.862 1.00 4.43 H new ATOM 833 N GLY A 55 1.429 6.276 -6.953 1.00 0.83 N ATOM 834 CA GLY A 55 0.758 6.672 -5.728 1.00 0.69 C ATOM 835 C GLY A 55 1.662 7.461 -4.796 1.00 0.57 C ATOM 836 O GLY A 55 2.878 7.538 -4.973 1.00 0.70 O ATOM 0 H GLY A 55 2.266 5.711 -6.807 1.00 0.83 H new ATOM 0 HA2 GLY A 55 -0.117 7.274 -5.975 1.00 0.69 H new ATOM 0 HA3 GLY A 55 0.397 5.782 -5.212 1.00 0.69 H new ATOM 840 N THR A 56 1.022 8.037 -3.785 1.00 0.51 N ATOM 841 CA THR A 56 1.602 8.868 -2.756 1.00 0.61 C ATOM 842 C THR A 56 1.179 8.276 -1.415 1.00 0.52 C ATOM 843 O THR A 56 0.025 7.881 -1.253 1.00 0.72 O ATOM 844 CB THR A 56 1.096 10.310 -2.927 1.00 0.93 C ATOM 845 OG1 THR A 56 -0.320 10.371 -2.944 1.00 2.25 O ATOM 846 CG2 THR A 56 1.623 10.925 -4.226 1.00 1.57 C ATOM 0 H THR A 56 0.016 7.923 -3.661 1.00 0.51 H new ATOM 0 HA THR A 56 2.690 8.896 -2.816 1.00 0.61 H new ATOM 0 HB THR A 56 1.468 10.873 -2.071 1.00 0.93 H new ATOM 0 HG1 THR A 56 -0.675 9.596 -3.428 1.00 2.25 H new ATOM 0 HG21 THR A 56 1.251 11.945 -4.323 1.00 1.57 H new ATOM 0 HG22 THR A 56 2.713 10.937 -4.207 1.00 1.57 H new ATOM 0 HG23 THR A 56 1.281 10.332 -5.074 1.00 1.57 H new ATOM 854 N ALA A 57 2.125 8.190 -0.482 1.00 0.62 N ATOM 855 CA ALA A 57 1.908 7.834 0.909 1.00 0.61 C ATOM 856 C ALA A 57 2.322 9.052 1.728 1.00 0.68 C ATOM 857 O ALA A 57 3.396 9.071 2.327 1.00 0.97 O ATOM 858 CB ALA A 57 2.745 6.598 1.241 1.00 0.67 C ATOM 0 H ALA A 57 3.106 8.376 -0.690 1.00 0.62 H new ATOM 0 HA ALA A 57 0.870 7.582 1.127 1.00 0.61 H new ATOM 0 HB1 ALA A 57 2.589 6.322 2.284 1.00 0.67 H new ATOM 0 HB2 ALA A 57 2.444 5.771 0.598 1.00 0.67 H new ATOM 0 HB3 ALA A 57 3.800 6.818 1.078 1.00 0.67 H new ATOM 864 N PHE A 58 1.492 10.096 1.692 1.00 0.61 N ATOM 865 CA PHE A 58 1.832 11.396 2.257 1.00 0.72 C ATOM 866 C PHE A 58 1.607 11.367 3.766 1.00 0.70 C ATOM 867 O PHE A 58 0.579 10.885 4.231 1.00 0.69 O ATOM 868 CB PHE A 58 1.113 12.527 1.513 1.00 0.84 C ATOM 869 CG PHE A 58 -0.324 12.784 1.912 1.00 0.89 C ATOM 870 CD1 PHE A 58 -0.592 13.680 2.965 1.00 2.18 C ATOM 871 CD2 PHE A 58 -1.388 12.211 1.193 1.00 1.96 C ATOM 872 CE1 PHE A 58 -1.916 13.961 3.332 1.00 2.39 C ATOM 873 CE2 PHE A 58 -2.716 12.526 1.534 1.00 1.95 C ATOM 874 CZ PHE A 58 -2.981 13.387 2.615 1.00 1.32 C ATOM 0 H PHE A 58 0.565 10.060 1.269 1.00 0.61 H new ATOM 0 HA PHE A 58 2.891 11.612 2.113 1.00 0.72 H new ATOM 0 HB2 PHE A 58 1.679 13.447 1.660 1.00 0.84 H new ATOM 0 HB3 PHE A 58 1.137 12.305 0.446 1.00 0.84 H new ATOM 0 HD1 PHE A 58 0.224 14.152 3.491 1.00 2.18 H new ATOM 0 HD2 PHE A 58 -1.186 11.530 0.380 1.00 1.96 H new ATOM 0 HE1 PHE A 58 -2.118 14.618 4.165 1.00 2.39 H new ATOM 0 HE2 PHE A 58 -3.533 12.107 0.966 1.00 1.95 H new ATOM 0 HZ PHE A 58 -4.001 13.607 2.894 1.00 1.32 H new ATOM 884 N GLY A 59 2.595 11.822 4.537 1.00 0.75 N ATOM 885 CA GLY A 59 2.531 11.779 5.987 1.00 0.81 C ATOM 886 C GLY A 59 1.654 12.912 6.502 1.00 0.90 C ATOM 887 O GLY A 59 1.409 13.878 5.787 1.00 0.97 O ATOM 0 H GLY A 59 3.456 12.228 4.170 1.00 0.75 H new ATOM 0 HA2 GLY A 59 2.129 10.820 6.313 1.00 0.81 H new ATOM 0 HA3 GLY A 59 3.533 11.864 6.406 1.00 0.81 H new ATOM 891 N SER A 60 1.252 12.851 7.771 1.00 1.00 N ATOM 892 CA SER A 60 0.646 13.982 8.456 1.00 1.15 C ATOM 893 C SER A 60 1.541 15.222 8.346 1.00 1.16 C ATOM 894 O SER A 60 1.047 16.337 8.214 1.00 1.36 O ATOM 895 CB SER A 60 0.426 13.584 9.917 1.00 1.23 C ATOM 896 OG SER A 60 1.447 12.689 10.338 1.00 2.24 O ATOM 0 H SER A 60 1.339 12.015 8.349 1.00 1.00 H new ATOM 0 HA SER A 60 -0.309 14.237 7.997 1.00 1.15 H new ATOM 0 HB2 SER A 60 0.427 14.473 10.548 1.00 1.23 H new ATOM 0 HB3 SER A 60 -0.551 13.114 10.031 1.00 1.23 H new ATOM 0 HG SER A 60 1.299 12.441 11.275 1.00 2.24 H new ATOM 902 N ASP A 61 2.857 15.001 8.409 1.00 1.07 N ATOM 903 CA ASP A 61 3.883 16.029 8.284 1.00 1.17 C ATOM 904 C ASP A 61 4.289 16.273 6.817 1.00 1.10 C ATOM 905 O ASP A 61 5.189 17.060 6.546 1.00 1.22 O ATOM 906 CB ASP A 61 5.078 15.549 9.122 1.00 1.29 C ATOM 907 CG ASP A 61 6.174 16.596 9.273 1.00 1.55 C ATOM 908 OD1 ASP A 61 7.329 16.252 8.945 1.00 1.85 O ATOM 909 OD2 ASP A 61 5.848 17.691 9.780 1.00 2.58 O ATOM 0 H ASP A 61 3.246 14.069 8.553 1.00 1.07 H new ATOM 0 HA ASP A 61 3.507 16.988 8.641 1.00 1.17 H new ATOM 0 HB2 ASP A 61 4.725 15.259 10.112 1.00 1.29 H new ATOM 0 HB3 ASP A 61 5.500 14.656 8.660 1.00 1.29 H new ATOM 914 N ASP A 62 3.705 15.530 5.861 1.00 0.97 N ATOM 915 CA ASP A 62 4.150 15.440 4.472 1.00 1.15 C ATOM 916 C ASP A 62 5.589 14.967 4.296 1.00 1.12 C ATOM 917 O ASP A 62 6.113 14.903 3.185 1.00 1.41 O ATOM 918 CB ASP A 62 3.796 16.692 3.652 1.00 1.53 C ATOM 919 CG ASP A 62 2.362 16.652 3.147 1.00 2.86 C ATOM 920 OD1 ASP A 62 1.593 17.567 3.510 1.00 4.56 O ATOM 921 OD2 ASP A 62 2.068 15.707 2.383 1.00 2.92 O ATOM 0 H ASP A 62 2.881 14.958 6.048 1.00 0.97 H new ATOM 0 HA ASP A 62 3.564 14.629 4.039 1.00 1.15 H new ATOM 0 HB2 ASP A 62 3.940 17.581 4.266 1.00 1.53 H new ATOM 0 HB3 ASP A 62 4.477 16.776 2.805 1.00 1.53 H new ATOM 926 N ALA A 63 6.171 14.438 5.367 1.00 1.18 N ATOM 927 CA ALA A 63 7.381 13.649 5.321 1.00 1.18 C ATOM 928 C ALA A 63 7.004 12.235 4.882 1.00 1.04 C ATOM 929 O ALA A 63 7.247 11.262 5.590 1.00 1.11 O ATOM 930 CB ALA A 63 7.914 13.657 6.745 1.00 1.37 C ATOM 0 H ALA A 63 5.800 14.553 6.310 1.00 1.18 H new ATOM 0 HA ALA A 63 8.129 14.031 4.626 1.00 1.18 H new ATOM 0 HB1 ALA A 63 8.835 13.076 6.792 1.00 1.37 H new ATOM 0 HB2 ALA A 63 8.116 14.683 7.052 1.00 1.37 H new ATOM 0 HB3 ALA A 63 7.174 13.217 7.413 1.00 1.37 H new ATOM 936 N GLY A 64 6.373 12.130 3.715 1.00 0.97 N ATOM 937 CA GLY A 64 5.736 10.908 3.264 1.00 0.94 C ATOM 938 C GLY A 64 6.584 10.198 2.215 1.00 0.78 C ATOM 939 O GLY A 64 7.617 10.717 1.800 1.00 1.07 O ATOM 0 H GLY A 64 6.292 12.902 3.053 1.00 0.97 H new ATOM 0 HA2 GLY A 64 5.574 10.245 4.114 1.00 0.94 H new ATOM 0 HA3 GLY A 64 4.755 11.138 2.847 1.00 0.94 H new ATOM 943 N GLY A 65 6.136 9.016 1.788 1.00 0.81 N ATOM 944 CA GLY A 65 6.758 8.196 0.776 1.00 0.85 C ATOM 945 C GLY A 65 5.966 8.284 -0.528 1.00 0.73 C ATOM 946 O GLY A 65 4.848 8.798 -0.564 1.00 0.88 O ATOM 0 H GLY A 65 5.287 8.594 2.164 1.00 0.81 H new ATOM 0 HA2 GLY A 65 7.784 8.524 0.611 1.00 0.85 H new ATOM 0 HA3 GLY A 65 6.805 7.161 1.113 1.00 0.85 H new ATOM 950 N LYS A 66 6.531 7.727 -1.598 1.00 0.75 N ATOM 951 CA LYS A 66 5.804 7.421 -2.822 1.00 0.75 C ATOM 952 C LYS A 66 5.243 6.002 -2.714 1.00 0.76 C ATOM 953 O LYS A 66 5.610 5.272 -1.797 1.00 1.35 O ATOM 954 CB LYS A 66 6.781 7.513 -3.994 1.00 0.95 C ATOM 955 CG LYS A 66 7.230 8.961 -4.233 1.00 1.08 C ATOM 956 CD LYS A 66 8.386 8.973 -5.247 1.00 1.46 C ATOM 957 CE LYS A 66 9.702 8.629 -4.532 1.00 2.03 C ATOM 958 NZ LYS A 66 10.720 8.007 -5.403 1.00 3.52 N ATOM 0 H LYS A 66 7.518 7.474 -1.637 1.00 0.75 H new ATOM 0 HA LYS A 66 4.983 8.121 -2.976 1.00 0.75 H new ATOM 0 HB2 LYS A 66 7.652 6.888 -3.794 1.00 0.95 H new ATOM 0 HB3 LYS A 66 6.309 7.123 -4.896 1.00 0.95 H new ATOM 0 HG2 LYS A 66 6.396 9.555 -4.607 1.00 1.08 H new ATOM 0 HG3 LYS A 66 7.549 9.415 -3.295 1.00 1.08 H new ATOM 0 HD2 LYS A 66 8.193 8.253 -6.042 1.00 1.46 H new ATOM 0 HD3 LYS A 66 8.461 9.954 -5.717 1.00 1.46 H new ATOM 0 HE2 LYS A 66 10.117 9.540 -4.101 1.00 2.03 H new ATOM 0 HE3 LYS A 66 9.487 7.954 -3.704 1.00 2.03 H new ATOM 0 HZ1 LYS A 66 11.193 7.237 -4.889 1.00 3.52 H new ATOM 0 HZ2 LYS A 66 10.261 7.624 -6.254 1.00 3.52 H new ATOM 0 HZ3 LYS A 66 11.423 8.721 -5.680 1.00 3.52 H new ATOM 972 N LEU A 67 4.397 5.588 -3.659 1.00 0.65 N ATOM 973 CA LEU A 67 3.936 4.211 -3.774 1.00 0.66 C ATOM 974 C LEU A 67 3.966 3.817 -5.251 1.00 0.65 C ATOM 975 O LEU A 67 3.577 4.620 -6.103 1.00 1.07 O ATOM 976 CB LEU A 67 2.522 4.099 -3.197 1.00 0.73 C ATOM 977 CG LEU A 67 2.075 2.637 -3.056 1.00 0.81 C ATOM 978 CD1 LEU A 67 2.540 2.061 -1.720 1.00 0.96 C ATOM 979 CD2 LEU A 67 0.549 2.554 -3.185 1.00 0.87 C ATOM 0 H LEU A 67 4.011 6.208 -4.371 1.00 0.65 H new ATOM 0 HA LEU A 67 4.582 3.535 -3.213 1.00 0.66 H new ATOM 0 HB2 LEU A 67 2.488 4.584 -2.222 1.00 0.73 H new ATOM 0 HB3 LEU A 67 1.823 4.632 -3.842 1.00 0.73 H new ATOM 0 HG LEU A 67 2.529 2.045 -3.850 1.00 0.81 H new ATOM 0 HD11 LEU A 67 2.214 1.024 -1.638 1.00 0.96 H new ATOM 0 HD12 LEU A 67 3.628 2.105 -1.664 1.00 0.96 H new ATOM 0 HD13 LEU A 67 2.111 2.642 -0.904 1.00 0.96 H new ATOM 0 HD21 LEU A 67 0.231 1.516 -3.085 1.00 0.87 H new ATOM 0 HD22 LEU A 67 0.085 3.153 -2.402 1.00 0.87 H new ATOM 0 HD23 LEU A 67 0.245 2.934 -4.160 1.00 0.87 H new ATOM 991 N THR A 68 4.445 2.606 -5.556 1.00 0.66 N ATOM 992 CA THR A 68 4.648 2.132 -6.919 1.00 0.82 C ATOM 993 C THR A 68 3.881 0.836 -7.187 1.00 0.76 C ATOM 994 O THR A 68 3.471 0.125 -6.273 1.00 0.91 O ATOM 995 CB THR A 68 6.153 1.994 -7.201 1.00 1.15 C ATOM 996 OG1 THR A 68 6.376 1.906 -8.596 1.00 3.34 O ATOM 997 CG2 THR A 68 6.785 0.786 -6.499 1.00 1.79 C ATOM 0 H THR A 68 4.705 1.920 -4.847 1.00 0.66 H new ATOM 0 HA THR A 68 4.241 2.868 -7.613 1.00 0.82 H new ATOM 0 HB THR A 68 6.633 2.885 -6.797 1.00 1.15 H new ATOM 0 HG1 THR A 68 7.337 1.820 -8.769 1.00 3.34 H new ATOM 0 HG21 THR A 68 7.848 0.742 -6.736 1.00 1.79 H new ATOM 0 HG22 THR A 68 6.658 0.884 -5.421 1.00 1.79 H new ATOM 0 HG23 THR A 68 6.299 -0.128 -6.840 1.00 1.79 H new ATOM 1005 N TYR A 69 3.716 0.523 -8.468 1.00 0.73 N ATOM 1006 CA TYR A 69 2.811 -0.487 -8.975 1.00 0.85 C ATOM 1007 C TYR A 69 3.369 -1.888 -8.716 1.00 0.68 C ATOM 1008 O TYR A 69 4.233 -2.379 -9.439 1.00 0.77 O ATOM 1009 CB TYR A 69 2.573 -0.220 -10.476 1.00 1.10 C ATOM 1010 CG TYR A 69 3.723 -0.490 -11.437 1.00 1.25 C ATOM 1011 CD1 TYR A 69 3.700 -1.649 -12.236 1.00 2.51 C ATOM 1012 CD2 TYR A 69 4.842 0.364 -11.501 1.00 1.87 C ATOM 1013 CE1 TYR A 69 4.800 -1.985 -13.039 1.00 2.83 C ATOM 1014 CE2 TYR A 69 5.972 -0.006 -12.256 1.00 2.21 C ATOM 1015 CZ TYR A 69 5.958 -1.199 -13.000 1.00 2.20 C ATOM 1016 OH TYR A 69 7.082 -1.650 -13.626 1.00 2.94 O ATOM 0 H TYR A 69 4.236 0.991 -9.210 1.00 0.73 H new ATOM 0 HA TYR A 69 1.854 -0.435 -8.456 1.00 0.85 H new ATOM 0 HB2 TYR A 69 1.723 -0.824 -10.793 1.00 1.10 H new ATOM 0 HB3 TYR A 69 2.281 0.824 -10.588 1.00 1.10 H new ATOM 0 HD1 TYR A 69 2.827 -2.285 -12.231 1.00 2.51 H new ATOM 0 HD2 TYR A 69 4.833 1.304 -10.970 1.00 1.87 H new ATOM 0 HE1 TYR A 69 4.754 -2.848 -13.686 1.00 2.83 H new ATOM 0 HE2 TYR A 69 6.848 0.626 -12.263 1.00 2.21 H new ATOM 0 HH TYR A 69 7.804 -0.997 -13.514 1.00 2.94 H new ATOM 1026 N THR A 70 2.888 -2.557 -7.665 1.00 0.59 N ATOM 1027 CA THR A 70 3.328 -3.913 -7.366 1.00 0.64 C ATOM 1028 C THR A 70 2.234 -4.696 -6.632 1.00 0.70 C ATOM 1029 O THR A 70 2.257 -4.828 -5.407 1.00 0.79 O ATOM 1030 CB THR A 70 4.642 -3.867 -6.561 1.00 0.75 C ATOM 1031 OG1 THR A 70 5.609 -3.049 -7.192 1.00 0.98 O ATOM 1032 CG2 THR A 70 5.251 -5.262 -6.383 1.00 0.95 C ATOM 0 H THR A 70 2.199 -2.181 -7.014 1.00 0.59 H new ATOM 0 HA THR A 70 3.520 -4.441 -8.300 1.00 0.64 H new ATOM 0 HB THR A 70 4.381 -3.453 -5.587 1.00 0.75 H new ATOM 0 HG1 THR A 70 6.429 -3.040 -6.656 1.00 0.98 H new ATOM 0 HG21 THR A 70 6.175 -5.185 -5.811 1.00 0.95 H new ATOM 0 HG22 THR A 70 4.547 -5.901 -5.851 1.00 0.95 H new ATOM 0 HG23 THR A 70 5.465 -5.693 -7.361 1.00 0.95 H new ATOM 1040 N ILE A 71 1.264 -5.217 -7.390 1.00 0.71 N ATOM 1041 CA ILE A 71 0.187 -6.066 -6.904 1.00 0.70 C ATOM 1042 C ILE A 71 -0.125 -7.051 -8.032 1.00 0.69 C ATOM 1043 O ILE A 71 -0.228 -6.605 -9.168 1.00 0.94 O ATOM 1044 CB ILE A 71 -1.042 -5.216 -6.496 1.00 0.83 C ATOM 1045 CG1 ILE A 71 -1.987 -4.795 -7.631 1.00 1.17 C ATOM 1046 CG2 ILE A 71 -0.643 -3.911 -5.798 1.00 1.18 C ATOM 1047 CD1 ILE A 71 -3.064 -5.822 -7.941 1.00 1.22 C ATOM 0 H ILE A 71 1.211 -5.049 -8.395 1.00 0.71 H new ATOM 0 HA ILE A 71 0.473 -6.610 -6.004 1.00 0.70 H new ATOM 0 HB ILE A 71 -1.568 -5.909 -5.839 1.00 0.83 H new ATOM 0 HG12 ILE A 71 -2.463 -3.851 -7.365 1.00 1.17 H new ATOM 0 HG13 ILE A 71 -1.401 -4.613 -8.532 1.00 1.17 H new ATOM 0 HG21 ILE A 71 -1.540 -3.352 -5.532 1.00 1.18 H new ATOM 0 HG22 ILE A 71 -0.077 -4.140 -4.895 1.00 1.18 H new ATOM 0 HG23 ILE A 71 -0.028 -3.312 -6.470 1.00 1.18 H new ATOM 0 HD11 ILE A 71 -3.693 -5.456 -8.752 1.00 1.22 H new ATOM 0 HD12 ILE A 71 -2.597 -6.761 -8.239 1.00 1.22 H new ATOM 0 HD13 ILE A 71 -3.676 -5.987 -7.054 1.00 1.22 H new ATOM 1059 N ASP A 72 -0.272 -8.352 -7.768 1.00 0.58 N ATOM 1060 CA ASP A 72 -0.821 -9.268 -8.766 1.00 0.69 C ATOM 1061 C ASP A 72 -2.311 -9.423 -8.504 1.00 0.80 C ATOM 1062 O ASP A 72 -2.689 -9.998 -7.482 1.00 0.90 O ATOM 1063 CB ASP A 72 -0.140 -10.638 -8.738 1.00 0.87 C ATOM 1064 CG ASP A 72 -0.732 -11.583 -9.787 1.00 2.67 C ATOM 1065 OD1 ASP A 72 -1.699 -11.182 -10.482 1.00 3.92 O ATOM 1066 OD2 ASP A 72 -0.201 -12.706 -9.882 1.00 3.61 O ATOM 0 H ASP A 72 -0.021 -8.789 -6.881 1.00 0.58 H new ATOM 0 HA ASP A 72 -0.641 -8.848 -9.756 1.00 0.69 H new ATOM 0 HB2 ASP A 72 0.928 -10.518 -8.917 1.00 0.87 H new ATOM 0 HB3 ASP A 72 -0.249 -11.079 -7.747 1.00 0.87 H new ATOM 1071 N PHE A 73 -3.136 -8.920 -9.427 1.00 1.01 N ATOM 1072 CA PHE A 73 -4.586 -9.029 -9.409 1.00 1.05 C ATOM 1073 C PHE A 73 -5.079 -10.461 -9.189 1.00 1.07 C ATOM 1074 O PHE A 73 -6.195 -10.612 -8.697 1.00 1.25 O ATOM 1075 CB PHE A 73 -5.186 -8.368 -10.651 1.00 1.27 C ATOM 1076 CG PHE A 73 -5.067 -6.859 -10.691 1.00 1.55 C ATOM 1077 CD1 PHE A 73 -4.138 -6.236 -11.544 1.00 2.03 C ATOM 1078 CD2 PHE A 73 -5.934 -6.072 -9.911 1.00 2.80 C ATOM 1079 CE1 PHE A 73 -4.127 -4.837 -11.669 1.00 2.37 C ATOM 1080 CE2 PHE A 73 -5.900 -4.671 -10.014 1.00 3.19 C ATOM 1081 CZ PHE A 73 -5.004 -4.053 -10.903 1.00 2.51 C ATOM 0 H PHE A 73 -2.791 -8.406 -10.238 1.00 1.01 H new ATOM 0 HA PHE A 73 -4.947 -8.481 -8.539 1.00 1.05 H new ATOM 0 HB2 PHE A 73 -4.699 -8.780 -11.535 1.00 1.27 H new ATOM 0 HB3 PHE A 73 -6.241 -8.636 -10.714 1.00 1.27 H new ATOM 0 HD1 PHE A 73 -3.433 -6.834 -12.103 1.00 2.03 H new ATOM 0 HD2 PHE A 73 -6.627 -6.546 -9.232 1.00 2.80 H new ATOM 0 HE1 PHE A 73 -3.442 -4.363 -12.356 1.00 2.37 H new ATOM 0 HE2 PHE A 73 -6.563 -4.069 -9.410 1.00 3.19 H new ATOM 0 HZ PHE A 73 -4.990 -2.977 -10.997 1.00 2.51 H new ATOM 1091 N ALA A 74 -4.259 -11.486 -9.475 1.00 1.06 N ATOM 1092 CA ALA A 74 -4.590 -12.876 -9.175 1.00 1.18 C ATOM 1093 C ALA A 74 -5.150 -13.017 -7.758 1.00 1.13 C ATOM 1094 O ALA A 74 -6.135 -13.716 -7.549 1.00 1.27 O ATOM 1095 CB ALA A 74 -3.351 -13.760 -9.344 1.00 1.30 C ATOM 0 H ALA A 74 -3.349 -11.367 -9.921 1.00 1.06 H new ATOM 0 HA ALA A 74 -5.359 -13.201 -9.876 1.00 1.18 H new ATOM 0 HB1 ALA A 74 -3.609 -14.795 -9.118 1.00 1.30 H new ATOM 0 HB2 ALA A 74 -2.992 -13.691 -10.371 1.00 1.30 H new ATOM 0 HB3 ALA A 74 -2.569 -13.424 -8.663 1.00 1.30 H new ATOM 1101 N ALA A 75 -4.522 -12.335 -6.793 1.00 1.00 N ATOM 1102 CA ALA A 75 -5.024 -12.274 -5.421 1.00 1.04 C ATOM 1103 C ALA A 75 -4.735 -10.929 -4.742 1.00 0.91 C ATOM 1104 O ALA A 75 -4.734 -10.845 -3.518 1.00 1.10 O ATOM 1105 CB ALA A 75 -4.431 -13.441 -4.633 1.00 1.15 C ATOM 0 H ALA A 75 -3.658 -11.814 -6.942 1.00 1.00 H new ATOM 0 HA ALA A 75 -6.110 -12.358 -5.445 1.00 1.04 H new ATOM 0 HB1 ALA A 75 -4.796 -13.410 -3.606 1.00 1.15 H new ATOM 0 HB2 ALA A 75 -4.730 -14.382 -5.096 1.00 1.15 H new ATOM 0 HB3 ALA A 75 -3.344 -13.365 -4.634 1.00 1.15 H new ATOM 1111 N LYS A 76 -4.440 -9.896 -5.533 1.00 0.98 N ATOM 1112 CA LYS A 76 -4.153 -8.531 -5.156 1.00 0.86 C ATOM 1113 C LYS A 76 -3.247 -8.373 -3.939 1.00 0.81 C ATOM 1114 O LYS A 76 -3.707 -8.097 -2.838 1.00 0.97 O ATOM 1115 CB LYS A 76 -5.465 -7.770 -5.044 1.00 1.05 C ATOM 1116 CG LYS A 76 -5.273 -6.293 -4.667 1.00 1.92 C ATOM 1117 CD LYS A 76 -5.883 -5.336 -5.693 1.00 2.46 C ATOM 1118 CE LYS A 76 -5.483 -3.873 -5.429 1.00 3.75 C ATOM 1119 NZ LYS A 76 -5.811 -3.428 -4.055 1.00 5.05 N ATOM 0 H LYS A 76 -4.395 -10.016 -6.545 1.00 0.98 H new ATOM 0 HA LYS A 76 -3.547 -8.089 -5.947 1.00 0.86 H new ATOM 0 HB2 LYS A 76 -5.996 -7.831 -5.994 1.00 1.05 H new ATOM 0 HB3 LYS A 76 -6.095 -8.251 -4.296 1.00 1.05 H new ATOM 0 HG2 LYS A 76 -5.725 -6.110 -3.692 1.00 1.92 H new ATOM 0 HG3 LYS A 76 -4.208 -6.083 -4.569 1.00 1.92 H new ATOM 0 HD2 LYS A 76 -5.561 -5.625 -6.694 1.00 2.46 H new ATOM 0 HD3 LYS A 76 -6.969 -5.424 -5.670 1.00 2.46 H new ATOM 0 HE2 LYS A 76 -4.412 -3.758 -5.598 1.00 3.75 H new ATOM 0 HE3 LYS A 76 -5.990 -3.227 -6.146 1.00 3.75 H new ATOM 0 HZ1 LYS A 76 -6.011 -2.407 -4.059 1.00 5.05 H new ATOM 0 HZ2 LYS A 76 -6.647 -3.943 -3.714 1.00 5.05 H new ATOM 0 HZ3 LYS A 76 -5.005 -3.620 -3.426 1.00 5.05 H new ATOM 1133 N GLN A 77 -1.936 -8.442 -4.167 1.00 0.81 N ATOM 1134 CA GLN A 77 -1.005 -8.492 -3.047 1.00 0.74 C ATOM 1135 C GLN A 77 -0.972 -7.145 -2.319 1.00 1.22 C ATOM 1136 O GLN A 77 -1.208 -7.070 -1.116 1.00 2.98 O ATOM 1137 CB GLN A 77 0.391 -8.974 -3.475 1.00 1.19 C ATOM 1138 CG GLN A 77 0.420 -10.258 -4.322 1.00 1.10 C ATOM 1139 CD GLN A 77 -0.644 -11.274 -3.924 1.00 1.09 C ATOM 1140 OE1 GLN A 77 -1.780 -11.260 -4.614 1.00 1.82 O flip ATOM 1141 NE2 GLN A 77 -0.451 -12.059 -3.007 1.00 1.10 N flip ATOM 0 H GLN A 77 -1.506 -8.464 -5.092 1.00 0.81 H new ATOM 0 HA GLN A 77 -1.366 -9.237 -2.338 1.00 0.74 H new ATOM 0 HB2 GLN A 77 0.874 -8.177 -4.040 1.00 1.19 H new ATOM 0 HB3 GLN A 77 0.990 -9.138 -2.579 1.00 1.19 H new ATOM 0 HG2 GLN A 77 0.285 -9.995 -5.371 1.00 1.10 H new ATOM 0 HG3 GLN A 77 1.403 -10.720 -4.233 1.00 1.10 H new ATOM 0 HE21 GLN A 77 0.433 -12.042 -2.499 1.00 1.10 H new ATOM 0 HE22 GLN A 77 -1.174 -12.731 -2.750 1.00 1.10 H new ATOM 1150 N GLY A 78 -0.740 -6.061 -3.071 1.00 1.01 N ATOM 1151 CA GLY A 78 -0.947 -4.707 -2.574 1.00 1.29 C ATOM 1152 C GLY A 78 0.299 -4.064 -1.983 1.00 1.02 C ATOM 1153 O GLY A 78 0.180 -3.284 -1.041 1.00 1.35 O ATOM 0 H GLY A 78 -0.406 -6.104 -4.034 1.00 1.01 H new ATOM 0 HA2 GLY A 78 -1.312 -4.084 -3.390 1.00 1.29 H new ATOM 0 HA3 GLY A 78 -1.728 -4.726 -1.814 1.00 1.29 H new ATOM 1157 N ASN A 79 1.488 -4.397 -2.491 1.00 0.89 N ATOM 1158 CA ASN A 79 2.709 -4.236 -1.709 1.00 1.15 C ATOM 1159 C ASN A 79 3.776 -3.540 -2.550 1.00 1.36 C ATOM 1160 O ASN A 79 4.709 -4.166 -3.044 1.00 2.24 O ATOM 1161 CB ASN A 79 3.136 -5.594 -1.131 1.00 1.25 C ATOM 1162 CG ASN A 79 1.968 -6.317 -0.451 1.00 1.62 C ATOM 1163 OD1 ASN A 79 1.629 -7.430 -0.837 1.00 2.99 O ATOM 1164 ND2 ASN A 79 1.299 -5.688 0.514 1.00 1.01 N ATOM 0 H ASN A 79 1.628 -4.775 -3.428 1.00 0.89 H new ATOM 0 HA ASN A 79 2.540 -3.586 -0.851 1.00 1.15 H new ATOM 0 HB2 ASN A 79 3.535 -6.219 -1.930 1.00 1.25 H new ATOM 0 HB3 ASN A 79 3.940 -5.445 -0.410 1.00 1.25 H new ATOM 0 HD21 ASN A 79 0.489 -6.132 0.946 1.00 1.01 H new ATOM 0 HD22 ASN A 79 1.597 -4.762 0.821 1.00 1.01 H new ATOM 1171 N GLY A 80 3.614 -2.224 -2.705 1.00 0.92 N ATOM 1172 CA GLY A 80 4.524 -1.341 -3.412 1.00 0.93 C ATOM 1173 C GLY A 80 5.379 -0.600 -2.395 1.00 0.79 C ATOM 1174 O GLY A 80 4.847 0.015 -1.478 1.00 0.92 O ATOM 0 H GLY A 80 2.808 -1.730 -2.322 1.00 0.92 H new ATOM 0 HA2 GLY A 80 5.156 -1.915 -4.090 1.00 0.93 H new ATOM 0 HA3 GLY A 80 3.964 -0.632 -4.022 1.00 0.93 H new ATOM 1178 N LYS A 81 6.700 -0.668 -2.541 1.00 0.78 N ATOM 1179 CA LYS A 81 7.626 -0.063 -1.593 1.00 0.65 C ATOM 1180 C LYS A 81 7.752 1.441 -1.819 1.00 0.77 C ATOM 1181 O LYS A 81 7.477 1.930 -2.917 1.00 1.00 O ATOM 1182 CB LYS A 81 8.978 -0.787 -1.627 1.00 0.77 C ATOM 1183 CG LYS A 81 9.700 -0.844 -2.981 1.00 1.15 C ATOM 1184 CD LYS A 81 10.723 0.290 -3.181 1.00 2.37 C ATOM 1185 CE LYS A 81 12.159 -0.256 -3.284 1.00 3.05 C ATOM 1186 NZ LYS A 81 12.785 -0.493 -1.966 1.00 3.93 N ATOM 0 H LYS A 81 7.156 -1.144 -3.319 1.00 0.78 H new ATOM 0 HA LYS A 81 7.224 -0.183 -0.587 1.00 0.65 H new ATOM 0 HB2 LYS A 81 9.640 -0.303 -0.909 1.00 0.77 H new ATOM 0 HB3 LYS A 81 8.825 -1.809 -1.281 1.00 0.77 H new ATOM 0 HG2 LYS A 81 10.210 -1.803 -3.071 1.00 1.15 H new ATOM 0 HG3 LYS A 81 8.960 -0.800 -3.780 1.00 1.15 H new ATOM 0 HD2 LYS A 81 10.479 0.846 -4.086 1.00 2.37 H new ATOM 0 HD3 LYS A 81 10.658 0.991 -2.349 1.00 2.37 H new ATOM 0 HE2 LYS A 81 12.147 -1.189 -3.847 1.00 3.05 H new ATOM 0 HE3 LYS A 81 12.770 0.449 -3.848 1.00 3.05 H new ATOM 0 HZ1 LYS A 81 13.669 0.051 -1.899 1.00 3.93 H new ATOM 0 HZ2 LYS A 81 12.134 -0.190 -1.213 1.00 3.93 H new ATOM 0 HZ3 LYS A 81 12.993 -1.506 -1.857 1.00 3.93 H new ATOM 1200 N ILE A 82 8.168 2.162 -0.774 1.00 0.84 N ATOM 1201 CA ILE A 82 8.400 3.599 -0.809 1.00 1.13 C ATOM 1202 C ILE A 82 9.906 3.808 -0.846 1.00 1.22 C ATOM 1203 O ILE A 82 10.652 3.063 -0.211 1.00 1.93 O ATOM 1204 CB ILE A 82 7.710 4.336 0.361 1.00 1.31 C ATOM 1205 CG1 ILE A 82 8.543 4.539 1.637 1.00 2.79 C ATOM 1206 CG2 ILE A 82 6.402 3.649 0.767 1.00 2.41 C ATOM 1207 CD1 ILE A 82 9.540 5.699 1.560 1.00 4.75 C ATOM 0 H ILE A 82 8.356 1.748 0.139 1.00 0.84 H new ATOM 0 HA ILE A 82 7.948 4.037 -1.699 1.00 1.13 H new ATOM 0 HB ILE A 82 7.542 5.327 -0.061 1.00 1.31 H new ATOM 0 HG12 ILE A 82 7.867 4.711 2.475 1.00 2.79 H new ATOM 0 HG13 ILE A 82 9.088 3.620 1.851 1.00 2.79 H new ATOM 0 HG21 ILE A 82 5.945 4.195 1.592 1.00 2.41 H new ATOM 0 HG22 ILE A 82 5.719 3.636 -0.082 1.00 2.41 H new ATOM 0 HG23 ILE A 82 6.610 2.626 1.080 1.00 2.41 H new ATOM 0 HD11 ILE A 82 10.086 5.773 2.501 1.00 4.75 H new ATOM 0 HD12 ILE A 82 10.242 5.522 0.746 1.00 4.75 H new ATOM 0 HD13 ILE A 82 9.002 6.630 1.379 1.00 4.75 H new ATOM 1219 N GLU A 83 10.363 4.793 -1.619 1.00 1.02 N ATOM 1220 CA GLU A 83 11.782 5.056 -1.763 1.00 1.04 C ATOM 1221 C GLU A 83 12.074 6.482 -2.224 1.00 1.24 C ATOM 1222 O GLU A 83 12.020 6.802 -3.415 1.00 1.88 O ATOM 1223 CB GLU A 83 12.431 3.991 -2.651 1.00 1.21 C ATOM 1224 CG GLU A 83 13.876 3.785 -2.205 1.00 1.03 C ATOM 1225 CD GLU A 83 14.381 2.439 -2.689 1.00 1.38 C ATOM 1226 OE1 GLU A 83 14.386 1.509 -1.853 1.00 2.33 O ATOM 1227 OE2 GLU A 83 14.639 2.324 -3.903 1.00 2.34 O ATOM 0 H GLU A 83 9.763 5.420 -2.154 1.00 1.02 H new ATOM 0 HA GLU A 83 12.240 4.984 -0.776 1.00 1.04 H new ATOM 0 HB2 GLU A 83 11.878 3.054 -2.581 1.00 1.21 H new ATOM 0 HB3 GLU A 83 12.400 4.302 -3.695 1.00 1.21 H new ATOM 0 HG2 GLU A 83 14.505 4.582 -2.601 1.00 1.03 H new ATOM 0 HG3 GLU A 83 13.941 3.838 -1.118 1.00 1.03 H new ATOM 1234 N HIS A 84 12.335 7.345 -1.246 1.00 0.90 N ATOM 1235 CA HIS A 84 13.092 8.587 -1.408 1.00 0.99 C ATOM 1236 C HIS A 84 13.655 9.153 -0.097 1.00 0.99 C ATOM 1237 O HIS A 84 14.458 10.081 -0.143 1.00 1.74 O ATOM 1238 CB HIS A 84 12.287 9.656 -2.157 1.00 1.53 C ATOM 1239 CG HIS A 84 10.971 10.077 -1.543 1.00 1.94 C ATOM 1240 ND1 HIS A 84 10.526 11.379 -1.465 1.00 3.35 N ATOM 1241 CD2 HIS A 84 9.912 9.267 -1.220 1.00 2.29 C ATOM 1242 CE1 HIS A 84 9.230 11.351 -1.111 1.00 4.24 C ATOM 1243 NE2 HIS A 84 8.808 10.085 -0.986 1.00 3.63 N ATOM 0 H HIS A 84 12.016 7.196 -0.288 1.00 0.90 H new ATOM 0 HA HIS A 84 13.953 8.310 -2.016 1.00 0.99 H new ATOM 0 HB2 HIS A 84 12.913 10.543 -2.259 1.00 1.53 H new ATOM 0 HB3 HIS A 84 12.089 9.288 -3.164 1.00 1.53 H new ATOM 0 HD1 HIS A 84 11.082 12.215 -1.644 1.00 3.35 H new ATOM 0 HD2 HIS A 84 9.930 8.189 -1.158 1.00 2.29 H new ATOM 0 HE1 HIS A 84 8.616 12.225 -0.950 1.00 4.24 H new ATOM 1251 N LEU A 85 13.219 8.661 1.068 1.00 0.81 N ATOM 1252 CA LEU A 85 13.520 9.312 2.322 1.00 0.92 C ATOM 1253 C LEU A 85 15.003 9.265 2.656 1.00 1.18 C ATOM 1254 O LEU A 85 15.732 8.355 2.263 1.00 1.45 O ATOM 1255 CB LEU A 85 12.696 8.684 3.441 1.00 0.92 C ATOM 1256 CG LEU A 85 11.239 9.155 3.455 1.00 1.08 C ATOM 1257 CD1 LEU A 85 11.095 10.560 4.041 1.00 3.23 C ATOM 1258 CD2 LEU A 85 10.508 9.078 2.114 1.00 1.95 C ATOM 0 H LEU A 85 12.658 7.814 1.156 1.00 0.81 H new ATOM 0 HA LEU A 85 13.253 10.364 2.221 1.00 0.92 H new ATOM 0 HB2 LEU A 85 12.719 7.599 3.336 1.00 0.92 H new ATOM 0 HB3 LEU A 85 13.157 8.921 4.400 1.00 0.92 H new ATOM 0 HG LEU A 85 10.749 8.430 4.105 1.00 1.08 H new ATOM 0 HD11 LEU A 85 10.045 10.853 4.031 1.00 3.23 H new ATOM 0 HD12 LEU A 85 11.464 10.566 5.067 1.00 3.23 H new ATOM 0 HD13 LEU A 85 11.674 11.264 3.444 1.00 3.23 H new ATOM 0 HD21 LEU A 85 9.485 9.435 2.236 1.00 1.95 H new ATOM 0 HD22 LEU A 85 11.024 9.699 1.382 1.00 1.95 H new ATOM 0 HD23 LEU A 85 10.493 8.045 1.767 1.00 1.95 H new ATOM 1270 N LYS A 86 15.413 10.280 3.416 1.00 1.36 N ATOM 1271 CA LYS A 86 16.818 10.602 3.623 1.00 1.62 C ATOM 1272 C LYS A 86 17.505 9.630 4.582 1.00 1.59 C ATOM 1273 O LYS A 86 18.718 9.452 4.516 1.00 1.92 O ATOM 1274 CB LYS A 86 17.005 12.077 4.020 1.00 1.88 C ATOM 1275 CG LYS A 86 15.998 12.683 5.012 1.00 1.68 C ATOM 1276 CD LYS A 86 15.868 11.894 6.323 1.00 2.46 C ATOM 1277 CE LYS A 86 15.242 12.707 7.465 1.00 2.89 C ATOM 1278 NZ LYS A 86 16.168 13.720 8.013 1.00 4.04 N ATOM 0 H LYS A 86 14.773 10.904 3.907 1.00 1.36 H new ATOM 0 HA LYS A 86 17.325 10.471 2.667 1.00 1.62 H new ATOM 0 HB2 LYS A 86 18.002 12.186 4.446 1.00 1.88 H new ATOM 0 HB3 LYS A 86 16.980 12.675 3.109 1.00 1.88 H new ATOM 0 HG2 LYS A 86 16.299 13.705 5.242 1.00 1.68 H new ATOM 0 HG3 LYS A 86 15.020 12.739 4.534 1.00 1.68 H new ATOM 0 HD2 LYS A 86 15.262 11.006 6.145 1.00 2.46 H new ATOM 0 HD3 LYS A 86 16.855 11.550 6.631 1.00 2.46 H new ATOM 0 HE2 LYS A 86 14.341 13.202 7.103 1.00 2.89 H new ATOM 0 HE3 LYS A 86 14.936 12.030 8.263 1.00 2.89 H new ATOM 0 HZ1 LYS A 86 15.710 14.218 8.803 1.00 4.04 H new ATOM 0 HZ2 LYS A 86 17.032 13.252 8.353 1.00 4.04 H new ATOM 0 HZ3 LYS A 86 16.414 14.404 7.269 1.00 4.04 H new ATOM 1292 N SER A 87 16.737 9.012 5.478 1.00 1.37 N ATOM 1293 CA SER A 87 17.235 8.001 6.388 1.00 1.48 C ATOM 1294 C SER A 87 16.977 6.651 5.721 1.00 1.27 C ATOM 1295 O SER A 87 15.841 6.417 5.300 1.00 1.11 O ATOM 1296 CB SER A 87 16.485 8.089 7.722 1.00 1.73 C ATOM 1297 OG SER A 87 16.459 9.422 8.207 1.00 1.79 O ATOM 0 H SER A 87 15.742 9.207 5.588 1.00 1.37 H new ATOM 0 HA SER A 87 18.297 8.137 6.594 1.00 1.48 H new ATOM 0 HB2 SER A 87 15.465 7.725 7.594 1.00 1.73 H new ATOM 0 HB3 SER A 87 16.965 7.441 8.456 1.00 1.73 H new ATOM 0 HG SER A 87 15.974 9.451 9.058 1.00 1.79 H new ATOM 1303 N PRO A 88 17.969 5.750 5.644 1.00 1.41 N ATOM 1304 CA PRO A 88 17.768 4.429 5.069 1.00 1.39 C ATOM 1305 C PRO A 88 16.602 3.743 5.779 1.00 1.37 C ATOM 1306 O PRO A 88 15.711 3.203 5.134 1.00 1.59 O ATOM 1307 CB PRO A 88 19.099 3.689 5.227 1.00 1.68 C ATOM 1308 CG PRO A 88 19.812 4.435 6.354 1.00 1.90 C ATOM 1309 CD PRO A 88 19.290 5.866 6.236 1.00 1.75 C ATOM 0 HA PRO A 88 17.500 4.456 4.013 1.00 1.39 H new ATOM 0 HB2 PRO A 88 18.944 2.640 5.480 1.00 1.68 H new ATOM 0 HB3 PRO A 88 19.679 3.712 4.305 1.00 1.68 H new ATOM 0 HG2 PRO A 88 19.580 4.004 7.328 1.00 1.90 H new ATOM 0 HG3 PRO A 88 20.895 4.394 6.238 1.00 1.90 H new ATOM 0 HD2 PRO A 88 19.241 6.348 7.213 1.00 1.75 H new ATOM 0 HD3 PRO A 88 19.947 6.473 5.613 1.00 1.75 H new ATOM 1317 N GLU A 89 16.543 3.873 7.108 1.00 1.33 N ATOM 1318 CA GLU A 89 15.483 3.312 7.932 1.00 1.41 C ATOM 1319 C GLU A 89 14.149 4.063 7.827 1.00 1.24 C ATOM 1320 O GLU A 89 13.289 3.891 8.686 1.00 1.86 O ATOM 1321 CB GLU A 89 15.970 3.188 9.381 1.00 1.77 C ATOM 1322 CG GLU A 89 17.416 2.673 9.432 1.00 2.78 C ATOM 1323 CD GLU A 89 17.686 1.879 10.699 1.00 4.57 C ATOM 1324 OE1 GLU A 89 17.420 2.435 11.785 1.00 4.95 O ATOM 1325 OE2 GLU A 89 18.138 0.724 10.540 1.00 6.13 O ATOM 0 H GLU A 89 17.246 4.381 7.645 1.00 1.33 H new ATOM 0 HA GLU A 89 15.262 2.318 7.544 1.00 1.41 H new ATOM 0 HB2 GLU A 89 15.908 4.158 9.874 1.00 1.77 H new ATOM 0 HB3 GLU A 89 15.318 2.509 9.931 1.00 1.77 H new ATOM 0 HG2 GLU A 89 17.610 2.046 8.562 1.00 2.78 H new ATOM 0 HG3 GLU A 89 18.105 3.516 9.377 1.00 2.78 H new ATOM 1332 N LEU A 90 13.953 4.876 6.783 1.00 1.05 N ATOM 1333 CA LEU A 90 12.640 5.346 6.357 1.00 1.00 C ATOM 1334 C LEU A 90 12.348 4.943 4.903 1.00 0.82 C ATOM 1335 O LEU A 90 11.272 5.243 4.393 1.00 1.07 O ATOM 1336 CB LEU A 90 12.532 6.863 6.558 1.00 1.05 C ATOM 1337 CG LEU A 90 12.627 7.305 8.028 1.00 1.39 C ATOM 1338 CD1 LEU A 90 12.680 8.837 8.083 1.00 1.95 C ATOM 1339 CD2 LEU A 90 11.441 6.819 8.869 1.00 2.44 C ATOM 0 H LEU A 90 14.716 5.228 6.205 1.00 1.05 H new ATOM 0 HA LEU A 90 11.882 4.867 6.977 1.00 1.00 H new ATOM 0 HB2 LEU A 90 13.323 7.352 5.990 1.00 1.05 H new ATOM 0 HB3 LEU A 90 11.584 7.208 6.146 1.00 1.05 H new ATOM 0 HG LEU A 90 13.530 6.860 8.447 1.00 1.39 H new ATOM 0 HD11 LEU A 90 12.747 9.162 9.121 1.00 1.95 H new ATOM 0 HD12 LEU A 90 13.553 9.191 7.535 1.00 1.95 H new ATOM 0 HD13 LEU A 90 11.777 9.249 7.632 1.00 1.95 H new ATOM 0 HD21 LEU A 90 11.560 7.160 9.897 1.00 2.44 H new ATOM 0 HD22 LEU A 90 10.515 7.221 8.459 1.00 2.44 H new ATOM 0 HD23 LEU A 90 11.403 5.730 8.850 1.00 2.44 H new ATOM 1351 N ASN A 91 13.260 4.248 4.214 1.00 0.73 N ATOM 1352 CA ASN A 91 12.971 3.618 2.931 1.00 0.74 C ATOM 1353 C ASN A 91 12.128 2.373 3.215 1.00 0.76 C ATOM 1354 O ASN A 91 12.650 1.265 3.307 1.00 1.09 O ATOM 1355 CB ASN A 91 14.279 3.287 2.187 1.00 0.88 C ATOM 1356 CG ASN A 91 15.203 4.489 1.969 1.00 1.16 C ATOM 1357 OD1 ASN A 91 16.349 4.329 1.564 1.00 2.49 O ATOM 1358 ND2 ASN A 91 14.739 5.704 2.257 1.00 0.85 N ATOM 0 H ASN A 91 14.218 4.109 4.535 1.00 0.73 H new ATOM 0 HA ASN A 91 12.414 4.288 2.277 1.00 0.74 H new ATOM 0 HB2 ASN A 91 14.820 2.525 2.749 1.00 0.88 H new ATOM 0 HB3 ASN A 91 14.032 2.853 1.218 1.00 0.88 H new ATOM 0 HD21 ASN A 91 15.340 6.520 2.142 1.00 0.85 H new ATOM 0 HD22 ASN A 91 13.783 5.818 2.593 1.00 0.85 H new ATOM 1365 N VAL A 92 10.829 2.580 3.447 1.00 0.61 N ATOM 1366 CA VAL A 92 9.921 1.513 3.838 1.00 0.63 C ATOM 1367 C VAL A 92 9.588 0.602 2.658 1.00 0.62 C ATOM 1368 O VAL A 92 9.004 1.063 1.677 1.00 0.70 O ATOM 1369 CB VAL A 92 8.637 2.072 4.479 1.00 0.65 C ATOM 1370 CG1 VAL A 92 7.728 0.936 4.965 1.00 1.09 C ATOM 1371 CG2 VAL A 92 8.976 2.964 5.673 1.00 1.03 C ATOM 0 H VAL A 92 10.383 3.494 3.367 1.00 0.61 H new ATOM 0 HA VAL A 92 10.434 0.912 4.589 1.00 0.63 H new ATOM 0 HB VAL A 92 8.119 2.654 3.716 1.00 0.65 H new ATOM 0 HG11 VAL A 92 6.828 1.357 5.414 1.00 1.09 H new ATOM 0 HG12 VAL A 92 7.451 0.305 4.121 1.00 1.09 H new ATOM 0 HG13 VAL A 92 8.258 0.338 5.707 1.00 1.09 H new ATOM 0 HG21 VAL A 92 8.056 3.349 6.112 1.00 1.03 H new ATOM 0 HG22 VAL A 92 9.519 2.383 6.419 1.00 1.03 H new ATOM 0 HG23 VAL A 92 9.596 3.797 5.341 1.00 1.03 H new ATOM 1381 N ASP A 93 9.855 -0.698 2.799 1.00 0.66 N ATOM 1382 CA ASP A 93 9.350 -1.707 1.880 1.00 0.68 C ATOM 1383 C ASP A 93 8.240 -2.466 2.598 1.00 0.78 C ATOM 1384 O ASP A 93 8.347 -2.783 3.782 1.00 1.11 O ATOM 1385 CB ASP A 93 10.475 -2.647 1.413 1.00 0.83 C ATOM 1386 CG ASP A 93 11.317 -2.043 0.297 1.00 1.67 C ATOM 1387 OD1 ASP A 93 11.864 -0.935 0.463 1.00 2.97 O ATOM 1388 OD2 ASP A 93 11.399 -2.629 -0.802 1.00 2.37 O ATOM 0 H ASP A 93 10.427 -1.075 3.554 1.00 0.66 H new ATOM 0 HA ASP A 93 8.955 -1.238 0.979 1.00 0.68 H new ATOM 0 HB2 ASP A 93 11.118 -2.886 2.260 1.00 0.83 H new ATOM 0 HB3 ASP A 93 10.040 -3.585 1.068 1.00 0.83 H new ATOM 1393 N LEU A 94 7.141 -2.712 1.891 1.00 0.68 N ATOM 1394 CA LEU A 94 5.975 -3.387 2.439 1.00 0.79 C ATOM 1395 C LEU A 94 6.185 -4.899 2.347 1.00 0.88 C ATOM 1396 O LEU A 94 6.716 -5.377 1.346 1.00 1.06 O ATOM 1397 CB LEU A 94 4.709 -2.949 1.686 1.00 1.16 C ATOM 1398 CG LEU A 94 4.624 -1.432 1.434 1.00 1.07 C ATOM 1399 CD1 LEU A 94 3.258 -1.083 0.842 1.00 1.27 C ATOM 1400 CD2 LEU A 94 4.800 -0.585 2.691 1.00 1.69 C ATOM 0 H LEU A 94 7.037 -2.445 0.912 1.00 0.68 H new ATOM 0 HA LEU A 94 5.845 -3.116 3.487 1.00 0.79 H new ATOM 0 HB2 LEU A 94 4.670 -3.469 0.729 1.00 1.16 H new ATOM 0 HB3 LEU A 94 3.834 -3.262 2.255 1.00 1.16 H new ATOM 0 HG LEU A 94 5.444 -1.203 0.753 1.00 1.07 H new ATOM 0 HD11 LEU A 94 3.202 -0.009 0.665 1.00 1.27 H new ATOM 0 HD12 LEU A 94 3.124 -1.613 -0.101 1.00 1.27 H new ATOM 0 HD13 LEU A 94 2.473 -1.378 1.539 1.00 1.27 H new ATOM 0 HD21 LEU A 94 4.727 0.471 2.431 1.00 1.69 H new ATOM 0 HD22 LEU A 94 4.021 -0.836 3.411 1.00 1.69 H new ATOM 0 HD23 LEU A 94 5.778 -0.784 3.130 1.00 1.69 H new ATOM 1412 N ALA A 95 5.744 -5.660 3.352 1.00 0.92 N ATOM 1413 CA ALA A 95 5.782 -7.114 3.270 1.00 1.04 C ATOM 1414 C ALA A 95 4.622 -7.572 2.383 1.00 1.03 C ATOM 1415 O ALA A 95 3.684 -6.807 2.155 1.00 1.04 O ATOM 1416 CB ALA A 95 5.668 -7.715 4.674 1.00 1.16 C ATOM 0 H ALA A 95 5.360 -5.293 4.223 1.00 0.92 H new ATOM 0 HA ALA A 95 6.725 -7.450 2.838 1.00 1.04 H new ATOM 0 HB1 ALA A 95 5.697 -8.803 4.608 1.00 1.16 H new ATOM 0 HB2 ALA A 95 6.499 -7.367 5.287 1.00 1.16 H new ATOM 0 HB3 ALA A 95 4.727 -7.404 5.128 1.00 1.16 H new ATOM 1422 N ALA A 96 4.670 -8.805 1.869 1.00 1.13 N ATOM 1423 CA ALA A 96 3.627 -9.259 0.963 1.00 1.13 C ATOM 1424 C ALA A 96 2.378 -9.624 1.764 1.00 0.96 C ATOM 1425 O ALA A 96 2.488 -10.161 2.865 1.00 1.50 O ATOM 1426 CB ALA A 96 4.082 -10.430 0.091 1.00 1.35 C ATOM 0 H ALA A 96 5.403 -9.487 2.062 1.00 1.13 H new ATOM 0 HA ALA A 96 3.394 -8.441 0.281 1.00 1.13 H new ATOM 0 HB1 ALA A 96 3.267 -10.731 -0.567 1.00 1.35 H new ATOM 0 HB2 ALA A 96 4.940 -10.125 -0.509 1.00 1.35 H new ATOM 0 HB3 ALA A 96 4.364 -11.269 0.727 1.00 1.35 H new ATOM 1432 N ALA A 97 1.201 -9.312 1.219 1.00 0.71 N ATOM 1433 CA ALA A 97 -0.086 -9.583 1.839 1.00 0.55 C ATOM 1434 C ALA A 97 -1.016 -10.249 0.826 1.00 0.99 C ATOM 1435 O ALA A 97 -0.653 -10.407 -0.336 1.00 2.10 O ATOM 1436 CB ALA A 97 -0.664 -8.270 2.371 1.00 0.92 C ATOM 0 H ALA A 97 1.120 -8.853 0.312 1.00 0.71 H new ATOM 0 HA ALA A 97 0.028 -10.271 2.677 1.00 0.55 H new ATOM 0 HB1 ALA A 97 -1.630 -8.461 2.839 1.00 0.92 H new ATOM 0 HB2 ALA A 97 0.018 -7.844 3.107 1.00 0.92 H new ATOM 0 HB3 ALA A 97 -0.792 -7.568 1.547 1.00 0.92 H new ATOM 1442 N ASP A 98 -2.205 -10.640 1.292 1.00 0.61 N ATOM 1443 CA ASP A 98 -3.224 -11.374 0.557 1.00 0.90 C ATOM 1444 C ASP A 98 -4.569 -10.726 0.881 1.00 0.96 C ATOM 1445 O ASP A 98 -4.690 -10.064 1.915 1.00 1.14 O ATOM 1446 CB ASP A 98 -3.292 -12.840 1.032 1.00 1.32 C ATOM 1447 CG ASP A 98 -1.951 -13.513 1.279 1.00 2.59 C ATOM 1448 OD1 ASP A 98 -1.463 -13.376 2.426 1.00 3.50 O ATOM 1449 OD2 ASP A 98 -1.488 -14.257 0.396 1.00 3.54 O ATOM 0 H ASP A 98 -2.494 -10.438 2.249 1.00 0.61 H new ATOM 0 HA ASP A 98 -2.991 -11.351 -0.508 1.00 0.90 H new ATOM 0 HB2 ASP A 98 -3.873 -12.878 1.954 1.00 1.32 H new ATOM 0 HB3 ASP A 98 -3.838 -13.420 0.287 1.00 1.32 H new ATOM 1454 N ILE A 99 -5.592 -10.966 0.058 1.00 1.11 N ATOM 1455 CA ILE A 99 -6.964 -10.587 0.317 1.00 1.22 C ATOM 1456 C ILE A 99 -7.874 -11.763 -0.040 1.00 1.36 C ATOM 1457 O ILE A 99 -8.199 -11.995 -1.201 1.00 1.71 O ATOM 1458 CB ILE A 99 -7.294 -9.282 -0.414 1.00 1.11 C ATOM 1459 CG1 ILE A 99 -8.795 -9.127 -0.656 1.00 1.23 C ATOM 1460 CG2 ILE A 99 -6.579 -9.101 -1.755 1.00 1.15 C ATOM 1461 CD1 ILE A 99 -9.161 -7.683 -0.437 1.00 1.50 C ATOM 0 H ILE A 99 -5.474 -11.446 -0.834 1.00 1.11 H new ATOM 0 HA ILE A 99 -7.128 -10.374 1.373 1.00 1.22 H new ATOM 0 HB ILE A 99 -6.929 -8.512 0.265 1.00 1.11 H new ATOM 0 HG12 ILE A 99 -9.050 -9.434 -1.670 1.00 1.23 H new ATOM 0 HG13 ILE A 99 -9.358 -9.769 0.022 1.00 1.23 H new ATOM 0 HG21 ILE A 99 -6.874 -8.150 -2.199 1.00 1.15 H new ATOM 0 HG22 ILE A 99 -5.501 -9.109 -1.596 1.00 1.15 H new ATOM 0 HG23 ILE A 99 -6.853 -9.915 -2.426 1.00 1.15 H new ATOM 0 HD11 ILE A 99 -10.230 -7.549 -0.605 1.00 1.50 H new ATOM 0 HD12 ILE A 99 -8.915 -7.396 0.586 1.00 1.50 H new ATOM 0 HD13 ILE A 99 -8.603 -7.057 -1.133 1.00 1.50 H new ATOM 1473 N LYS A 100 -8.286 -12.489 1.000 1.00 1.59 N ATOM 1474 CA LYS A 100 -9.146 -13.660 0.940 1.00 1.88 C ATOM 1475 C LYS A 100 -10.566 -13.409 1.489 1.00 1.89 C ATOM 1476 O LYS A 100 -11.506 -13.959 0.919 1.00 3.09 O ATOM 1477 CB LYS A 100 -8.394 -14.824 1.607 1.00 2.72 C ATOM 1478 CG LYS A 100 -9.239 -16.071 1.905 1.00 4.16 C ATOM 1479 CD LYS A 100 -9.602 -16.107 3.397 1.00 4.72 C ATOM 1480 CE LYS A 100 -10.509 -17.296 3.731 1.00 6.07 C ATOM 1481 NZ LYS A 100 -10.735 -17.412 5.185 1.00 7.00 N ATOM 0 H LYS A 100 -8.011 -12.259 1.955 1.00 1.59 H new ATOM 0 HA LYS A 100 -9.346 -13.924 -0.098 1.00 1.88 H new ATOM 0 HB2 LYS A 100 -7.564 -15.114 0.963 1.00 2.72 H new ATOM 0 HB3 LYS A 100 -7.962 -14.467 2.542 1.00 2.72 H new ATOM 0 HG2 LYS A 100 -10.146 -16.060 1.301 1.00 4.16 H new ATOM 0 HG3 LYS A 100 -8.686 -16.970 1.634 1.00 4.16 H new ATOM 0 HD2 LYS A 100 -8.691 -16.166 3.992 1.00 4.72 H new ATOM 0 HD3 LYS A 100 -10.103 -15.179 3.672 1.00 4.72 H new ATOM 0 HE2 LYS A 100 -11.465 -17.180 3.221 1.00 6.07 H new ATOM 0 HE3 LYS A 100 -10.058 -18.215 3.357 1.00 6.07 H new ATOM 0 HZ1 LYS A 100 -11.353 -18.226 5.376 1.00 7.00 H new ATOM 0 HZ2 LYS A 100 -9.824 -17.547 5.668 1.00 7.00 H new ATOM 0 HZ3 LYS A 100 -11.188 -16.544 5.536 1.00 7.00 H new ATOM 1495 N PRO A 101 -10.786 -12.668 2.593 1.00 1.65 N ATOM 1496 CA PRO A 101 -12.111 -12.591 3.196 1.00 2.30 C ATOM 1497 C PRO A 101 -13.034 -11.569 2.513 1.00 1.61 C ATOM 1498 O PRO A 101 -14.145 -11.930 2.127 1.00 2.69 O ATOM 1499 CB PRO A 101 -11.884 -12.296 4.681 1.00 3.64 C ATOM 1500 CG PRO A 101 -10.504 -11.646 4.751 1.00 3.78 C ATOM 1501 CD PRO A 101 -9.788 -12.055 3.460 1.00 2.56 C ATOM 0 HA PRO A 101 -12.645 -13.532 3.065 1.00 2.30 H new ATOM 0 HB2 PRO A 101 -12.653 -11.631 5.073 1.00 3.64 H new ATOM 0 HB3 PRO A 101 -11.920 -13.210 5.274 1.00 3.64 H new ATOM 0 HG2 PRO A 101 -10.585 -10.562 4.827 1.00 3.78 H new ATOM 0 HG3 PRO A 101 -9.955 -11.987 5.628 1.00 3.78 H new ATOM 0 HD2 PRO A 101 -9.339 -11.187 2.977 1.00 2.56 H new ATOM 0 HD3 PRO A 101 -8.980 -12.755 3.673 1.00 2.56 H new ATOM 1509 N ASP A 102 -12.610 -10.304 2.411 1.00 1.37 N ATOM 1510 CA ASP A 102 -13.398 -9.113 2.082 1.00 1.55 C ATOM 1511 C ASP A 102 -14.353 -9.221 0.883 1.00 1.89 C ATOM 1512 O ASP A 102 -14.137 -8.611 -0.167 1.00 3.39 O ATOM 1513 CB ASP A 102 -12.438 -7.943 1.839 1.00 2.32 C ATOM 1514 CG ASP A 102 -11.608 -7.545 3.047 1.00 3.68 C ATOM 1515 OD1 ASP A 102 -11.055 -8.485 3.660 1.00 4.66 O ATOM 1516 OD2 ASP A 102 -11.561 -6.324 3.330 1.00 4.55 O ATOM 0 H ASP A 102 -11.630 -10.069 2.569 1.00 1.37 H new ATOM 0 HA ASP A 102 -14.051 -8.969 2.942 1.00 1.55 H new ATOM 0 HB2 ASP A 102 -11.765 -8.206 1.023 1.00 2.32 H new ATOM 0 HB3 ASP A 102 -13.015 -7.079 1.510 1.00 2.32 H new ATOM 1521 N GLY A 103 -15.475 -9.921 1.041 1.00 1.94 N ATOM 1522 CA GLY A 103 -16.557 -9.960 0.064 1.00 2.57 C ATOM 1523 C GLY A 103 -17.349 -8.650 0.053 1.00 2.07 C ATOM 1524 O GLY A 103 -18.547 -8.646 0.322 1.00 3.03 O ATOM 0 H GLY A 103 -15.659 -10.488 1.869 1.00 1.94 H new ATOM 0 HA2 GLY A 103 -16.146 -10.147 -0.928 1.00 2.57 H new ATOM 0 HA3 GLY A 103 -17.226 -10.789 0.293 1.00 2.57 H new ATOM 1528 N LYS A 104 -16.681 -7.535 -0.259 1.00 1.46 N ATOM 1529 CA LYS A 104 -17.274 -6.204 -0.314 1.00 1.67 C ATOM 1530 C LYS A 104 -16.519 -5.381 -1.360 1.00 1.88 C ATOM 1531 O LYS A 104 -15.843 -4.400 -1.052 1.00 2.97 O ATOM 1532 CB LYS A 104 -17.235 -5.573 1.083 1.00 2.10 C ATOM 1533 CG LYS A 104 -18.092 -4.300 1.157 1.00 2.63 C ATOM 1534 CD LYS A 104 -17.807 -3.592 2.483 1.00 3.29 C ATOM 1535 CE LYS A 104 -18.735 -2.385 2.682 1.00 3.99 C ATOM 1536 NZ LYS A 104 -18.472 -1.692 3.961 1.00 5.34 N ATOM 0 H LYS A 104 -15.686 -7.538 -0.486 1.00 1.46 H new ATOM 0 HA LYS A 104 -18.321 -6.245 -0.614 1.00 1.67 H new ATOM 0 HB2 LYS A 104 -17.591 -6.295 1.818 1.00 2.10 H new ATOM 0 HB3 LYS A 104 -16.204 -5.333 1.345 1.00 2.10 H new ATOM 0 HG2 LYS A 104 -17.862 -3.641 0.320 1.00 2.63 H new ATOM 0 HG3 LYS A 104 -19.150 -4.552 1.083 1.00 2.63 H new ATOM 0 HD2 LYS A 104 -17.937 -4.293 3.307 1.00 3.29 H new ATOM 0 HD3 LYS A 104 -16.768 -3.262 2.506 1.00 3.29 H new ATOM 0 HE2 LYS A 104 -18.603 -1.686 1.856 1.00 3.99 H new ATOM 0 HE3 LYS A 104 -19.773 -2.717 2.656 1.00 3.99 H new ATOM 0 HZ1 LYS A 104 -19.119 -0.883 4.057 1.00 5.34 H new ATOM 0 HZ2 LYS A 104 -18.623 -2.352 4.751 1.00 5.34 H new ATOM 0 HZ3 LYS A 104 -17.489 -1.353 3.976 1.00 5.34 H new ATOM 1550 N ARG A 105 -16.598 -5.840 -2.610 1.00 1.49 N ATOM 1551 CA ARG A 105 -15.887 -5.295 -3.760 1.00 1.67 C ATOM 1552 C ARG A 105 -14.362 -5.329 -3.615 1.00 1.60 C ATOM 1553 O ARG A 105 -13.702 -4.737 -4.465 1.00 2.28 O ATOM 1554 CB ARG A 105 -16.312 -3.851 -4.098 1.00 2.01 C ATOM 1555 CG ARG A 105 -17.819 -3.568 -4.098 1.00 2.74 C ATOM 1556 CD ARG A 105 -18.008 -2.065 -4.349 1.00 3.51 C ATOM 1557 NE ARG A 105 -19.428 -1.693 -4.439 1.00 4.45 N ATOM 1558 CZ ARG A 105 -19.885 -0.428 -4.472 1.00 5.54 C ATOM 1559 NH1 ARG A 105 -19.030 0.599 -4.386 1.00 6.02 N ATOM 1560 NH2 ARG A 105 -21.198 -0.197 -4.591 1.00 6.58 N ATOM 0 H ARG A 105 -17.186 -6.637 -2.856 1.00 1.49 H new ATOM 0 HA ARG A 105 -16.172 -5.958 -4.576 1.00 1.67 H new ATOM 0 HB2 ARG A 105 -15.838 -3.179 -3.383 1.00 2.01 H new ATOM 0 HB3 ARG A 105 -15.917 -3.600 -5.082 1.00 2.01 H new ATOM 0 HG2 ARG A 105 -18.318 -4.151 -4.872 1.00 2.74 H new ATOM 0 HG3 ARG A 105 -18.263 -3.856 -3.145 1.00 2.74 H new ATOM 0 HD2 ARG A 105 -17.536 -1.501 -3.544 1.00 3.51 H new ATOM 0 HD3 ARG A 105 -17.501 -1.786 -5.273 1.00 3.51 H new ATOM 0 HE ARG A 105 -20.114 -2.447 -4.479 1.00 4.45 H new ATOM 0 HH11 ARG A 105 -18.029 0.423 -4.295 1.00 6.02 H new ATOM 0 HH12 ARG A 105 -19.379 1.557 -4.411 1.00 6.02 H new ATOM 0 HH21 ARG A 105 -21.850 -0.979 -4.656 1.00 6.58 H new ATOM 0 HH22 ARG A 105 -21.547 0.761 -4.616 1.00 6.58 H new ATOM 1574 N HIS A 106 -13.838 -5.968 -2.553 1.00 1.52 N ATOM 1575 CA HIS A 106 -12.448 -6.023 -2.104 1.00 1.68 C ATOM 1576 C HIS A 106 -12.307 -5.447 -0.697 1.00 1.72 C ATOM 1577 O HIS A 106 -11.430 -5.894 0.023 1.00 3.30 O ATOM 1578 CB HIS A 106 -11.475 -5.356 -3.091 1.00 2.10 C ATOM 1579 CG HIS A 106 -10.015 -5.256 -2.719 1.00 3.34 C ATOM 1580 ND1 HIS A 106 -9.499 -4.834 -1.515 1.00 4.37 N ATOM 1581 CD2 HIS A 106 -8.985 -5.243 -3.618 1.00 4.41 C ATOM 1582 CE1 HIS A 106 -8.187 -4.631 -1.681 1.00 5.48 C ATOM 1583 NE2 HIS A 106 -7.826 -4.838 -2.955 1.00 5.55 N ATOM 0 H HIS A 106 -14.441 -6.508 -1.933 1.00 1.52 H new ATOM 0 HA HIS A 106 -12.168 -7.076 -2.070 1.00 1.68 H new ATOM 0 HB2 HIS A 106 -11.539 -5.898 -4.034 1.00 2.10 H new ATOM 0 HB3 HIS A 106 -11.837 -4.345 -3.279 1.00 2.10 H new ATOM 0 HD1 HIS A 106 -10.023 -4.700 -0.650 1.00 4.37 H new ATOM 0 HD2 HIS A 106 -9.056 -5.502 -4.664 1.00 4.41 H new ATOM 0 HE1 HIS A 106 -7.509 -4.339 -0.893 1.00 5.48 H new ATOM 1591 N ALA A 107 -13.073 -4.424 -0.305 1.00 1.18 N ATOM 1592 CA ALA A 107 -12.738 -3.580 0.848 1.00 1.62 C ATOM 1593 C ALA A 107 -11.218 -3.394 1.042 1.00 1.24 C ATOM 1594 O ALA A 107 -10.665 -2.540 0.348 1.00 1.32 O ATOM 1595 CB ALA A 107 -13.493 -4.002 2.109 1.00 2.63 C ATOM 0 H ALA A 107 -13.938 -4.158 -0.775 1.00 1.18 H new ATOM 0 HA ALA A 107 -13.099 -2.577 0.622 1.00 1.62 H new ATOM 0 HB1 ALA A 107 -13.213 -3.349 2.936 1.00 2.63 H new ATOM 0 HB2 ALA A 107 -14.566 -3.926 1.933 1.00 2.63 H new ATOM 0 HB3 ALA A 107 -13.239 -5.032 2.358 1.00 2.63 H new ATOM 1601 N VAL A 108 -10.523 -4.159 1.906 1.00 1.16 N ATOM 1602 CA VAL A 108 -9.089 -3.954 2.139 1.00 0.90 C ATOM 1603 C VAL A 108 -8.239 -5.224 2.259 1.00 0.91 C ATOM 1604 O VAL A 108 -8.664 -6.270 2.731 1.00 1.14 O ATOM 1605 CB VAL A 108 -8.852 -3.083 3.378 1.00 0.90 C ATOM 1606 CG1 VAL A 108 -9.225 -1.628 3.112 1.00 1.07 C ATOM 1607 CG2 VAL A 108 -9.578 -3.633 4.610 1.00 1.13 C ATOM 0 H VAL A 108 -10.933 -4.919 2.449 1.00 1.16 H new ATOM 0 HA VAL A 108 -8.754 -3.454 1.230 1.00 0.90 H new ATOM 0 HB VAL A 108 -7.785 -3.116 3.596 1.00 0.90 H new ATOM 0 HG11 VAL A 108 -9.046 -1.036 4.010 1.00 1.07 H new ATOM 0 HG12 VAL A 108 -8.617 -1.240 2.294 1.00 1.07 H new ATOM 0 HG13 VAL A 108 -10.279 -1.566 2.842 1.00 1.07 H new ATOM 0 HG21 VAL A 108 -9.384 -2.986 5.466 1.00 1.13 H new ATOM 0 HG22 VAL A 108 -10.650 -3.666 4.416 1.00 1.13 H new ATOM 0 HG23 VAL A 108 -9.217 -4.639 4.826 1.00 1.13 H new ATOM 1617 N ILE A 109 -6.968 -5.064 1.888 1.00 0.85 N ATOM 1618 CA ILE A 109 -5.843 -5.892 2.277 1.00 0.83 C ATOM 1619 C ILE A 109 -5.293 -5.323 3.582 1.00 0.71 C ATOM 1620 O ILE A 109 -5.378 -4.112 3.784 1.00 0.87 O ATOM 1621 CB ILE A 109 -4.736 -5.755 1.219 1.00 0.97 C ATOM 1622 CG1 ILE A 109 -5.132 -6.186 -0.186 1.00 2.06 C ATOM 1623 CG2 ILE A 109 -3.428 -6.459 1.602 1.00 1.78 C ATOM 1624 CD1 ILE A 109 -4.477 -5.243 -1.197 1.00 2.48 C ATOM 0 H ILE A 109 -6.687 -4.303 1.269 1.00 0.85 H new ATOM 0 HA ILE A 109 -6.150 -6.933 2.379 1.00 0.83 H new ATOM 0 HB ILE A 109 -4.571 -4.678 1.200 1.00 0.97 H new ATOM 0 HG12 ILE A 109 -4.815 -7.213 -0.368 1.00 2.06 H new ATOM 0 HG13 ILE A 109 -6.216 -6.162 -0.296 1.00 2.06 H new ATOM 0 HG21 ILE A 109 -2.694 -6.319 0.808 1.00 1.78 H new ATOM 0 HG22 ILE A 109 -3.045 -6.035 2.530 1.00 1.78 H new ATOM 0 HG23 ILE A 109 -3.615 -7.524 1.740 1.00 1.78 H new ATOM 0 HD11 ILE A 109 -4.754 -5.543 -2.207 1.00 2.48 H new ATOM 0 HD12 ILE A 109 -4.816 -4.223 -1.016 1.00 2.48 H new ATOM 0 HD13 ILE A 109 -3.393 -5.290 -1.089 1.00 2.48 H new ATOM 1636 N SER A 110 -4.651 -6.173 4.390 1.00 0.68 N ATOM 1637 CA SER A 110 -3.944 -5.798 5.606 1.00 0.66 C ATOM 1638 C SER A 110 -2.492 -6.277 5.506 1.00 0.65 C ATOM 1639 O SER A 110 -2.235 -7.464 5.700 1.00 0.95 O ATOM 1640 CB SER A 110 -4.647 -6.434 6.809 1.00 0.82 C ATOM 1641 OG SER A 110 -6.004 -6.031 6.837 1.00 1.84 O ATOM 0 H SER A 110 -4.612 -7.175 4.203 1.00 0.68 H new ATOM 0 HA SER A 110 -3.947 -4.715 5.733 1.00 0.66 H new ATOM 0 HB2 SER A 110 -4.581 -7.520 6.748 1.00 0.82 H new ATOM 0 HB3 SER A 110 -4.150 -6.136 7.732 1.00 0.82 H new ATOM 0 HG SER A 110 -6.451 -6.441 7.607 1.00 1.84 H new ATOM 1647 N GLY A 111 -1.553 -5.379 5.189 1.00 0.52 N ATOM 1648 CA GLY A 111 -0.124 -5.660 5.162 1.00 0.53 C ATOM 1649 C GLY A 111 0.593 -5.103 6.395 1.00 0.47 C ATOM 1650 O GLY A 111 0.000 -4.409 7.224 1.00 0.74 O ATOM 0 H GLY A 111 -1.777 -4.416 4.939 1.00 0.52 H new ATOM 0 HA2 GLY A 111 0.033 -6.737 5.107 1.00 0.53 H new ATOM 0 HA3 GLY A 111 0.314 -5.228 4.262 1.00 0.53 H new ATOM 1654 N SER A 112 1.889 -5.400 6.503 1.00 0.58 N ATOM 1655 CA SER A 112 2.791 -4.899 7.532 1.00 0.50 C ATOM 1656 C SER A 112 4.063 -4.430 6.827 1.00 0.55 C ATOM 1657 O SER A 112 4.325 -4.878 5.707 1.00 0.76 O ATOM 1658 CB SER A 112 3.046 -5.988 8.576 1.00 0.68 C ATOM 1659 OG SER A 112 1.799 -6.484 9.037 1.00 1.45 O ATOM 0 H SER A 112 2.356 -6.024 5.845 1.00 0.58 H new ATOM 0 HA SER A 112 2.364 -4.057 8.077 1.00 0.50 H new ATOM 0 HB2 SER A 112 3.636 -6.796 8.142 1.00 0.68 H new ATOM 0 HB3 SER A 112 3.622 -5.584 9.409 1.00 0.68 H new ATOM 0 HG SER A 112 1.952 -7.184 9.706 1.00 1.45 H new ATOM 1665 N VAL A 113 4.753 -3.430 7.390 1.00 0.50 N ATOM 1666 CA VAL A 113 5.679 -2.616 6.613 1.00 0.47 C ATOM 1667 C VAL A 113 7.028 -2.442 7.314 1.00 0.59 C ATOM 1668 O VAL A 113 7.080 -2.094 8.493 1.00 0.89 O ATOM 1669 CB VAL A 113 5.011 -1.279 6.249 1.00 0.55 C ATOM 1670 CG1 VAL A 113 3.526 -1.443 5.883 1.00 0.84 C ATOM 1671 CG2 VAL A 113 5.118 -0.251 7.368 1.00 0.75 C ATOM 0 H VAL A 113 4.684 -3.171 8.374 1.00 0.50 H new ATOM 0 HA VAL A 113 5.910 -3.138 5.685 1.00 0.47 H new ATOM 0 HB VAL A 113 5.559 -0.921 5.377 1.00 0.55 H new ATOM 0 HG11 VAL A 113 3.103 -0.470 5.635 1.00 0.84 H new ATOM 0 HG12 VAL A 113 3.434 -2.108 5.025 1.00 0.84 H new ATOM 0 HG13 VAL A 113 2.987 -1.867 6.730 1.00 0.84 H new ATOM 0 HG21 VAL A 113 4.631 0.674 7.060 1.00 0.75 H new ATOM 0 HG22 VAL A 113 4.631 -0.636 8.264 1.00 0.75 H new ATOM 0 HG23 VAL A 113 6.169 -0.054 7.582 1.00 0.75 H new ATOM 1681 N LEU A 114 8.116 -2.659 6.571 1.00 0.69 N ATOM 1682 CA LEU A 114 9.475 -2.695 7.088 1.00 0.89 C ATOM 1683 C LEU A 114 10.226 -1.438 6.688 1.00 1.04 C ATOM 1684 O LEU A 114 10.563 -1.238 5.522 1.00 1.22 O ATOM 1685 CB LEU A 114 10.172 -3.948 6.559 1.00 1.11 C ATOM 1686 CG LEU A 114 11.695 -4.002 6.698 1.00 0.91 C ATOM 1687 CD1 LEU A 114 12.099 -3.809 8.153 1.00 1.84 C ATOM 1688 CD2 LEU A 114 12.193 -5.351 6.174 1.00 2.33 C ATOM 0 H LEU A 114 8.068 -2.818 5.565 1.00 0.69 H new ATOM 0 HA LEU A 114 9.456 -2.732 8.177 1.00 0.89 H new ATOM 0 HB2 LEU A 114 9.753 -4.813 7.074 1.00 1.11 H new ATOM 0 HB3 LEU A 114 9.923 -4.055 5.503 1.00 1.11 H new ATOM 0 HG LEU A 114 12.146 -3.199 6.115 1.00 0.91 H new ATOM 0 HD11 LEU A 114 13.185 -3.850 8.238 1.00 1.84 H new ATOM 0 HD12 LEU A 114 11.744 -2.840 8.504 1.00 1.84 H new ATOM 0 HD13 LEU A 114 11.658 -4.599 8.761 1.00 1.84 H new ATOM 0 HD21 LEU A 114 13.278 -5.400 6.268 1.00 2.33 H new ATOM 0 HD22 LEU A 114 11.741 -6.156 6.754 1.00 2.33 H new ATOM 0 HD23 LEU A 114 11.915 -5.459 5.126 1.00 2.33 H new ATOM 1700 N TYR A 115 10.570 -0.638 7.691 1.00 1.14 N ATOM 1701 CA TYR A 115 11.471 0.494 7.565 1.00 1.40 C ATOM 1702 C TYR A 115 12.893 -0.066 7.545 1.00 1.31 C ATOM 1703 O TYR A 115 13.647 0.057 8.509 1.00 1.36 O ATOM 1704 CB TYR A 115 11.239 1.569 8.654 1.00 1.72 C ATOM 1705 CG TYR A 115 9.971 1.490 9.487 1.00 2.19 C ATOM 1706 CD1 TYR A 115 8.712 1.374 8.871 1.00 3.84 C ATOM 1707 CD2 TYR A 115 10.052 1.583 10.891 1.00 2.78 C ATOM 1708 CE1 TYR A 115 7.547 1.386 9.647 1.00 5.35 C ATOM 1709 CE2 TYR A 115 8.883 1.551 11.666 1.00 4.47 C ATOM 1710 CZ TYR A 115 7.635 1.524 11.035 1.00 5.54 C ATOM 1711 OH TYR A 115 6.501 1.620 11.770 1.00 7.26 O ATOM 0 H TYR A 115 10.218 -0.766 8.640 1.00 1.14 H new ATOM 0 HA TYR A 115 11.280 1.033 6.637 1.00 1.40 H new ATOM 0 HB2 TYR A 115 12.088 1.538 9.337 1.00 1.72 H new ATOM 0 HB3 TYR A 115 11.257 2.544 8.167 1.00 1.72 H new ATOM 0 HD1 TYR A 115 8.644 1.276 7.798 1.00 3.84 H new ATOM 0 HD2 TYR A 115 11.015 1.679 11.371 1.00 2.78 H new ATOM 0 HE1 TYR A 115 6.581 1.289 9.174 1.00 5.35 H new ATOM 0 HE2 TYR A 115 8.946 1.547 12.744 1.00 4.47 H new ATOM 0 HH TYR A 115 6.719 1.533 12.721 1.00 7.26 H new ATOM 1721 N ASN A 116 13.230 -0.727 6.434 1.00 1.32 N ATOM 1722 CA ASN A 116 14.563 -1.207 6.084 1.00 1.36 C ATOM 1723 C ASN A 116 15.060 -2.320 7.022 1.00 1.04 C ATOM 1724 O ASN A 116 15.198 -3.459 6.587 1.00 1.08 O ATOM 1725 CB ASN A 116 15.513 -0.004 5.969 1.00 1.65 C ATOM 1726 CG ASN A 116 16.756 -0.224 5.113 1.00 2.36 C ATOM 1727 OD1 ASN A 116 17.849 0.184 5.496 1.00 2.97 O ATOM 1728 ND2 ASN A 116 16.612 -0.806 3.925 1.00 3.29 N ATOM 0 H ASN A 116 12.540 -0.952 5.718 1.00 1.32 H new ATOM 0 HA ASN A 116 14.528 -1.695 5.110 1.00 1.36 H new ATOM 0 HB2 ASN A 116 14.956 0.838 5.558 1.00 1.65 H new ATOM 0 HB3 ASN A 116 15.830 0.282 6.972 1.00 1.65 H new ATOM 0 HD21 ASN A 116 17.419 -0.921 3.312 1.00 3.29 H new ATOM 0 HD22 ASN A 116 15.694 -1.137 3.627 1.00 3.29 H new ATOM 1735 N GLN A 117 15.279 -2.011 8.305 1.00 0.95 N ATOM 1736 CA GLN A 117 15.635 -2.955 9.364 1.00 0.84 C ATOM 1737 C GLN A 117 14.508 -3.126 10.395 1.00 0.90 C ATOM 1738 O GLN A 117 14.575 -4.051 11.202 1.00 1.24 O ATOM 1739 CB GLN A 117 16.891 -2.467 10.105 1.00 0.98 C ATOM 1740 CG GLN A 117 18.200 -2.659 9.329 1.00 1.64 C ATOM 1741 CD GLN A 117 18.256 -1.852 8.042 1.00 2.44 C ATOM 1742 OE1 GLN A 117 18.309 -2.419 6.955 1.00 4.04 O ATOM 1743 NE2 GLN A 117 18.242 -0.530 8.144 1.00 2.20 N ATOM 0 H GLN A 117 15.209 -1.052 8.646 1.00 0.95 H new ATOM 0 HA GLN A 117 15.815 -3.915 8.881 1.00 0.84 H new ATOM 0 HB2 GLN A 117 16.773 -1.409 10.337 1.00 0.98 H new ATOM 0 HB3 GLN A 117 16.966 -2.996 11.055 1.00 0.98 H new ATOM 0 HG2 GLN A 117 19.038 -2.374 9.966 1.00 1.64 H new ATOM 0 HG3 GLN A 117 18.324 -3.716 9.093 1.00 1.64 H new ATOM 0 HE21 GLN A 117 18.197 -0.090 9.063 1.00 2.20 H new ATOM 0 HE22 GLN A 117 18.276 0.047 7.303 1.00 2.20 H new ATOM 1752 N ALA A 118 13.505 -2.239 10.422 1.00 0.95 N ATOM 1753 CA ALA A 118 12.574 -2.133 11.542 1.00 1.13 C ATOM 1754 C ALA A 118 11.131 -2.176 11.052 1.00 1.03 C ATOM 1755 O ALA A 118 10.700 -1.265 10.357 1.00 1.27 O ATOM 1756 CB ALA A 118 12.843 -0.822 12.286 1.00 1.54 C ATOM 0 H ALA A 118 13.320 -1.578 9.667 1.00 0.95 H new ATOM 0 HA ALA A 118 12.723 -2.977 12.215 1.00 1.13 H new ATOM 0 HB1 ALA A 118 12.153 -0.732 13.125 1.00 1.54 H new ATOM 0 HB2 ALA A 118 13.868 -0.818 12.657 1.00 1.54 H new ATOM 0 HB3 ALA A 118 12.700 0.018 11.606 1.00 1.54 H new ATOM 1762 N GLU A 119 10.367 -3.208 11.421 1.00 0.96 N ATOM 1763 CA GLU A 119 8.938 -3.273 11.148 1.00 1.00 C ATOM 1764 C GLU A 119 8.170 -2.936 12.421 1.00 0.94 C ATOM 1765 O GLU A 119 8.126 -3.748 13.350 1.00 1.44 O ATOM 1766 CB GLU A 119 8.573 -4.670 10.623 1.00 1.40 C ATOM 1767 CG GLU A 119 7.055 -4.858 10.463 1.00 1.59 C ATOM 1768 CD GLU A 119 6.729 -6.113 9.666 1.00 2.38 C ATOM 1769 OE1 GLU A 119 7.214 -7.183 10.085 1.00 2.74 O ATOM 1770 OE2 GLU A 119 5.992 -5.973 8.667 1.00 3.45 O ATOM 0 H GLU A 119 10.728 -4.022 11.919 1.00 0.96 H new ATOM 0 HA GLU A 119 8.668 -2.548 10.381 1.00 1.00 H new ATOM 0 HB2 GLU A 119 9.060 -4.832 9.661 1.00 1.40 H new ATOM 0 HB3 GLU A 119 8.960 -5.425 11.308 1.00 1.40 H new ATOM 0 HG2 GLU A 119 6.589 -4.919 11.447 1.00 1.59 H new ATOM 0 HG3 GLU A 119 6.630 -3.988 9.963 1.00 1.59 H new ATOM 1777 N LYS A 120 7.531 -1.762 12.502 1.00 0.65 N ATOM 1778 CA LYS A 120 6.495 -1.539 13.478 1.00 0.60 C ATOM 1779 C LYS A 120 5.350 -0.705 12.903 1.00 0.69 C ATOM 1780 O LYS A 120 4.857 0.218 13.546 1.00 1.22 O ATOM 1781 CB LYS A 120 7.153 -0.924 14.713 1.00 0.90 C ATOM 1782 CG LYS A 120 6.260 -0.974 15.954 1.00 1.92 C ATOM 1783 CD LYS A 120 5.207 -2.081 15.934 1.00 2.10 C ATOM 1784 CE LYS A 120 5.667 -3.546 16.067 1.00 2.26 C ATOM 1785 NZ LYS A 120 7.107 -3.783 15.822 1.00 3.56 N ATOM 0 H LYS A 120 7.724 -0.963 11.898 1.00 0.65 H new ATOM 0 HA LYS A 120 6.021 -2.477 13.768 1.00 0.60 H new ATOM 0 HB2 LYS A 120 8.085 -1.450 14.921 1.00 0.90 H new ATOM 0 HB3 LYS A 120 7.413 0.113 14.501 1.00 0.90 H new ATOM 0 HG2 LYS A 120 6.890 -1.105 16.834 1.00 1.92 H new ATOM 0 HG3 LYS A 120 5.757 -0.013 16.063 1.00 1.92 H new ATOM 0 HD2 LYS A 120 4.503 -1.882 16.742 1.00 2.10 H new ATOM 0 HD3 LYS A 120 4.653 -1.993 14.999 1.00 2.10 H new ATOM 0 HE2 LYS A 120 5.424 -3.896 17.070 1.00 2.26 H new ATOM 0 HE3 LYS A 120 5.092 -4.155 15.369 1.00 2.26 H new ATOM 0 HZ1 LYS A 120 7.347 -4.761 16.082 1.00 3.56 H new ATOM 0 HZ2 LYS A 120 7.317 -3.631 14.815 1.00 3.56 H new ATOM 0 HZ3 LYS A 120 7.670 -3.124 16.397 1.00 3.56 H new ATOM 1799 N GLY A 121 4.919 -1.054 11.692 1.00 0.50 N ATOM 1800 CA GLY A 121 3.839 -0.374 10.999 1.00 0.50 C ATOM 1801 C GLY A 121 2.943 -1.376 10.287 1.00 0.42 C ATOM 1802 O GLY A 121 3.403 -2.435 9.853 1.00 0.55 O ATOM 0 H GLY A 121 5.319 -1.828 11.162 1.00 0.50 H new ATOM 0 HA2 GLY A 121 3.251 0.206 11.711 1.00 0.50 H new ATOM 0 HA3 GLY A 121 4.251 0.331 10.277 1.00 0.50 H new ATOM 1806 N SER A 122 1.664 -1.018 10.188 1.00 0.49 N ATOM 1807 CA SER A 122 0.584 -1.824 9.645 1.00 0.52 C ATOM 1808 C SER A 122 -0.121 -0.986 8.591 1.00 0.50 C ATOM 1809 O SER A 122 -0.319 0.210 8.813 1.00 0.76 O ATOM 1810 CB SER A 122 -0.384 -2.179 10.773 1.00 0.66 C ATOM 1811 OG SER A 122 -0.683 -1.022 11.536 1.00 0.79 O ATOM 0 H SER A 122 1.340 -0.104 10.504 1.00 0.49 H new ATOM 0 HA SER A 122 0.958 -2.747 9.203 1.00 0.52 H new ATOM 0 HB2 SER A 122 -1.301 -2.598 10.358 1.00 0.66 H new ATOM 0 HB3 SER A 122 0.055 -2.944 11.413 1.00 0.66 H new ATOM 0 HG SER A 122 -0.767 -0.249 10.939 1.00 0.79 H new ATOM 1817 N TYR A 123 -0.495 -1.593 7.465 1.00 0.47 N ATOM 1818 CA TYR A 123 -1.014 -0.863 6.323 1.00 0.53 C ATOM 1819 C TYR A 123 -2.259 -1.540 5.773 1.00 0.52 C ATOM 1820 O TYR A 123 -2.321 -2.765 5.706 1.00 0.64 O ATOM 1821 CB TYR A 123 0.104 -0.731 5.289 1.00 0.82 C ATOM 1822 CG TYR A 123 -0.318 -0.388 3.879 1.00 0.63 C ATOM 1823 CD1 TYR A 123 -0.708 0.924 3.582 1.00 2.05 C ATOM 1824 CD2 TYR A 123 -0.102 -1.303 2.832 1.00 1.50 C ATOM 1825 CE1 TYR A 123 -0.651 1.387 2.263 1.00 2.74 C ATOM 1826 CE2 TYR A 123 -0.143 -0.860 1.500 1.00 1.69 C ATOM 1827 CZ TYR A 123 -0.347 0.500 1.218 1.00 2.08 C ATOM 1828 OH TYR A 123 -0.249 0.958 -0.061 1.00 2.87 O ATOM 0 H TYR A 123 -0.445 -2.602 7.325 1.00 0.47 H new ATOM 0 HA TYR A 123 -1.328 0.139 6.615 1.00 0.53 H new ATOM 0 HB2 TYR A 123 0.798 0.036 5.633 1.00 0.82 H new ATOM 0 HB3 TYR A 123 0.655 -1.671 5.261 1.00 0.82 H new ATOM 0 HD1 TYR A 123 -1.052 1.577 4.370 1.00 2.05 H new ATOM 0 HD2 TYR A 123 0.095 -2.342 3.052 1.00 1.50 H new ATOM 0 HE1 TYR A 123 -0.841 2.428 2.048 1.00 2.74 H new ATOM 0 HE2 TYR A 123 -0.018 -1.566 0.692 1.00 1.69 H new ATOM 0 HH TYR A 123 -0.032 0.213 -0.659 1.00 2.87 H new ATOM 1838 N SER A 124 -3.249 -0.725 5.402 1.00 0.50 N ATOM 1839 CA SER A 124 -4.560 -1.151 4.959 1.00 0.56 C ATOM 1840 C SER A 124 -4.728 -0.569 3.565 1.00 0.60 C ATOM 1841 O SER A 124 -4.557 0.640 3.414 1.00 0.77 O ATOM 1842 CB SER A 124 -5.624 -0.602 5.914 1.00 0.74 C ATOM 1843 OG SER A 124 -5.323 -0.980 7.242 1.00 1.88 O ATOM 0 H SER A 124 -3.145 0.290 5.406 1.00 0.50 H new ATOM 0 HA SER A 124 -4.665 -2.236 4.946 1.00 0.56 H new ATOM 0 HB2 SER A 124 -5.667 0.484 5.837 1.00 0.74 H new ATOM 0 HB3 SER A 124 -6.607 -0.981 5.633 1.00 0.74 H new ATOM 0 HG SER A 124 -6.007 -0.624 7.847 1.00 1.88 H new ATOM 1849 N LEU A 125 -4.993 -1.397 2.553 1.00 0.65 N ATOM 1850 CA LEU A 125 -4.974 -0.937 1.167 1.00 0.74 C ATOM 1851 C LEU A 125 -6.055 -1.639 0.364 1.00 0.78 C ATOM 1852 O LEU A 125 -6.223 -2.843 0.472 1.00 0.85 O ATOM 1853 CB LEU A 125 -3.570 -1.150 0.596 1.00 0.84 C ATOM 1854 CG LEU A 125 -3.314 -0.583 -0.805 1.00 0.82 C ATOM 1855 CD1 LEU A 125 -3.706 -1.538 -1.930 1.00 0.86 C ATOM 1856 CD2 LEU A 125 -3.825 0.843 -1.011 1.00 0.86 C ATOM 0 H LEU A 125 -5.222 -2.384 2.668 1.00 0.65 H new ATOM 0 HA LEU A 125 -5.198 0.128 1.112 1.00 0.74 H new ATOM 0 HB2 LEU A 125 -2.850 -0.704 1.282 1.00 0.84 H new ATOM 0 HB3 LEU A 125 -3.368 -2.221 0.574 1.00 0.84 H new ATOM 0 HG LEU A 125 -2.229 -0.493 -0.866 1.00 0.82 H new ATOM 0 HD11 LEU A 125 -3.497 -1.071 -2.893 1.00 0.86 H new ATOM 0 HD12 LEU A 125 -3.131 -2.460 -1.842 1.00 0.86 H new ATOM 0 HD13 LEU A 125 -4.770 -1.766 -1.860 1.00 0.86 H new ATOM 0 HD21 LEU A 125 -3.603 1.166 -2.028 1.00 0.86 H new ATOM 0 HD22 LEU A 125 -4.903 0.870 -0.849 1.00 0.86 H new ATOM 0 HD23 LEU A 125 -3.335 1.511 -0.303 1.00 0.86 H new ATOM 1868 N GLY A 126 -6.793 -0.872 -0.427 1.00 0.80 N ATOM 1869 CA GLY A 126 -8.055 -1.228 -1.060 1.00 0.69 C ATOM 1870 C GLY A 126 -7.934 -1.226 -2.581 1.00 1.07 C ATOM 1871 O GLY A 126 -6.841 -1.083 -3.141 1.00 2.01 O ATOM 0 H GLY A 126 -6.506 0.079 -0.659 1.00 0.80 H new ATOM 0 HA2 GLY A 126 -8.369 -2.215 -0.720 1.00 0.69 H new ATOM 0 HA3 GLY A 126 -8.829 -0.524 -0.754 1.00 0.69 H new ATOM 1875 N ILE A 127 -9.043 -1.486 -3.272 1.00 0.82 N ATOM 1876 CA ILE A 127 -9.179 -1.050 -4.654 1.00 0.82 C ATOM 1877 C ILE A 127 -10.573 -0.488 -4.874 1.00 0.84 C ATOM 1878 O ILE A 127 -11.527 -1.009 -4.298 1.00 0.97 O ATOM 1879 CB ILE A 127 -8.856 -2.202 -5.625 1.00 1.00 C ATOM 1880 CG1 ILE A 127 -8.279 -1.687 -6.948 1.00 1.06 C ATOM 1881 CG2 ILE A 127 -10.067 -3.088 -5.943 1.00 1.55 C ATOM 1882 CD1 ILE A 127 -7.063 -0.781 -6.738 1.00 2.67 C ATOM 0 H ILE A 127 -9.848 -1.990 -2.901 1.00 0.82 H new ATOM 0 HA ILE A 127 -8.459 -0.257 -4.858 1.00 0.82 H new ATOM 0 HB ILE A 127 -8.115 -2.805 -5.100 1.00 1.00 H new ATOM 0 HG12 ILE A 127 -7.995 -2.534 -7.572 1.00 1.06 H new ATOM 0 HG13 ILE A 127 -9.050 -1.137 -7.489 1.00 1.06 H new ATOM 0 HG21 ILE A 127 -9.769 -3.878 -6.632 1.00 1.55 H new ATOM 0 HG22 ILE A 127 -10.444 -3.533 -5.022 1.00 1.55 H new ATOM 0 HG23 ILE A 127 -10.850 -2.484 -6.401 1.00 1.55 H new ATOM 0 HD11 ILE A 127 -6.691 -0.442 -7.705 1.00 2.67 H new ATOM 0 HD12 ILE A 127 -7.351 0.082 -6.137 1.00 2.67 H new ATOM 0 HD13 ILE A 127 -6.280 -1.337 -6.222 1.00 2.67 H new ATOM 1894 N PHE A 128 -10.699 0.559 -5.695 1.00 0.82 N ATOM 1895 CA PHE A 128 -11.995 1.087 -6.066 1.00 0.89 C ATOM 1896 C PHE A 128 -11.929 1.947 -7.335 1.00 1.17 C ATOM 1897 O PHE A 128 -10.870 2.105 -7.955 1.00 1.50 O ATOM 1898 CB PHE A 128 -12.607 1.835 -4.863 1.00 2.15 C ATOM 1899 CG PHE A 128 -14.098 2.084 -4.989 1.00 2.76 C ATOM 1900 CD1 PHE A 128 -14.563 3.402 -5.157 1.00 3.24 C ATOM 1901 CD2 PHE A 128 -14.939 1.003 -5.322 1.00 3.84 C ATOM 1902 CE1 PHE A 128 -15.831 3.637 -5.714 1.00 4.14 C ATOM 1903 CE2 PHE A 128 -16.182 1.239 -5.931 1.00 4.68 C ATOM 1904 CZ PHE A 128 -16.632 2.557 -6.122 1.00 4.65 C ATOM 0 H PHE A 128 -9.910 1.052 -6.112 1.00 0.82 H new ATOM 0 HA PHE A 128 -12.655 0.258 -6.320 1.00 0.89 H new ATOM 0 HB2 PHE A 128 -12.420 1.260 -3.956 1.00 2.15 H new ATOM 0 HB3 PHE A 128 -12.097 2.791 -4.745 1.00 2.15 H new ATOM 0 HD1 PHE A 128 -13.944 4.234 -4.857 1.00 3.24 H new ATOM 0 HD2 PHE A 128 -14.627 -0.009 -5.108 1.00 3.84 H new ATOM 0 HE1 PHE A 128 -16.191 4.649 -5.829 1.00 4.14 H new ATOM 0 HE2 PHE A 128 -16.792 0.408 -6.253 1.00 4.68 H new ATOM 0 HZ PHE A 128 -17.592 2.739 -6.582 1.00 4.65 H new ATOM 1914 N GLY A 129 -13.095 2.450 -7.745 1.00 2.09 N ATOM 1915 CA GLY A 129 -13.290 3.352 -8.866 1.00 3.28 C ATOM 1916 C GLY A 129 -13.693 2.552 -10.095 1.00 2.71 C ATOM 1917 O GLY A 129 -14.653 2.883 -10.784 1.00 3.25 O ATOM 0 H GLY A 129 -13.971 2.223 -7.274 1.00 2.09 H new ATOM 0 HA2 GLY A 129 -14.060 4.085 -8.627 1.00 3.28 H new ATOM 0 HA3 GLY A 129 -12.373 3.907 -9.064 1.00 3.28 H new ATOM 1921 N GLY A 130 -12.948 1.478 -10.363 1.00 2.06 N ATOM 1922 CA GLY A 130 -13.249 0.526 -11.417 1.00 2.10 C ATOM 1923 C GLY A 130 -11.933 -0.047 -11.913 1.00 2.08 C ATOM 1924 O GLY A 130 -11.467 -1.065 -11.409 1.00 2.82 O ATOM 0 H GLY A 130 -12.104 1.247 -9.839 1.00 2.06 H new ATOM 0 HA2 GLY A 130 -13.894 -0.268 -11.042 1.00 2.10 H new ATOM 0 HA3 GLY A 130 -13.785 1.014 -12.231 1.00 2.10 H new ATOM 1928 N LYS A 131 -11.283 0.653 -12.846 1.00 2.00 N ATOM 1929 CA LYS A 131 -10.007 0.234 -13.411 1.00 2.00 C ATOM 1930 C LYS A 131 -8.825 0.500 -12.462 1.00 1.73 C ATOM 1931 O LYS A 131 -7.818 1.067 -12.876 1.00 2.17 O ATOM 1932 CB LYS A 131 -9.824 0.881 -14.793 1.00 2.42 C ATOM 1933 CG LYS A 131 -9.847 2.420 -14.740 1.00 2.57 C ATOM 1934 CD LYS A 131 -8.676 3.000 -15.537 1.00 3.63 C ATOM 1935 CE LYS A 131 -8.643 4.533 -15.442 1.00 4.22 C ATOM 1936 NZ LYS A 131 -7.317 5.047 -15.823 1.00 5.28 N ATOM 0 H LYS A 131 -11.633 1.531 -13.230 1.00 2.00 H new ATOM 0 HA LYS A 131 -10.021 -0.848 -13.540 1.00 2.00 H new ATOM 0 HB2 LYS A 131 -8.877 0.551 -15.221 1.00 2.42 H new ATOM 0 HB3 LYS A 131 -10.614 0.533 -15.459 1.00 2.42 H new ATOM 0 HG2 LYS A 131 -10.789 2.790 -15.145 1.00 2.57 H new ATOM 0 HG3 LYS A 131 -9.792 2.755 -13.704 1.00 2.57 H new ATOM 0 HD2 LYS A 131 -7.739 2.590 -15.161 1.00 3.63 H new ATOM 0 HD3 LYS A 131 -8.760 2.700 -16.581 1.00 3.63 H new ATOM 0 HE2 LYS A 131 -9.405 4.960 -16.094 1.00 4.22 H new ATOM 0 HE3 LYS A 131 -8.882 4.845 -14.425 1.00 4.22 H new ATOM 0 HZ1 LYS A 131 -7.161 5.972 -15.373 1.00 5.28 H new ATOM 0 HZ2 LYS A 131 -6.583 4.381 -15.509 1.00 5.28 H new ATOM 0 HZ3 LYS A 131 -7.269 5.152 -16.857 1.00 5.28 H new ATOM 1950 N ALA A 132 -8.947 0.076 -11.200 1.00 1.19 N ATOM 1951 CA ALA A 132 -7.899 0.112 -10.189 1.00 1.00 C ATOM 1952 C ALA A 132 -7.179 1.454 -10.152 1.00 1.40 C ATOM 1953 O ALA A 132 -5.959 1.562 -10.272 1.00 2.10 O ATOM 1954 CB ALA A 132 -6.956 -1.061 -10.396 1.00 1.06 C ATOM 0 H ALA A 132 -9.819 -0.318 -10.845 1.00 1.19 H new ATOM 0 HA ALA A 132 -8.356 0.009 -9.205 1.00 1.00 H new ATOM 0 HB1 ALA A 132 -6.171 -1.035 -9.640 1.00 1.06 H new ATOM 0 HB2 ALA A 132 -7.512 -1.995 -10.310 1.00 1.06 H new ATOM 0 HB3 ALA A 132 -6.507 -0.996 -11.387 1.00 1.06 H new ATOM 1960 N GLN A 133 -7.994 2.478 -9.943 1.00 1.14 N ATOM 1961 CA GLN A 133 -7.589 3.866 -9.893 1.00 1.57 C ATOM 1962 C GLN A 133 -7.473 4.256 -8.421 1.00 1.60 C ATOM 1963 O GLN A 133 -6.391 4.573 -7.931 1.00 2.42 O ATOM 1964 CB GLN A 133 -8.524 4.718 -10.771 1.00 1.71 C ATOM 1965 CG GLN A 133 -10.038 4.517 -10.578 1.00 2.11 C ATOM 1966 CD GLN A 133 -10.817 4.804 -11.858 1.00 2.02 C ATOM 1967 OE1 GLN A 133 -11.672 3.869 -12.267 1.00 2.59 O flip ATOM 1968 NE2 GLN A 133 -10.640 5.837 -12.494 1.00 2.37 N flip ATOM 0 H GLN A 133 -8.996 2.354 -9.798 1.00 1.14 H new ATOM 0 HA GLN A 133 -6.606 4.049 -10.328 1.00 1.57 H new ATOM 0 HB2 GLN A 133 -8.296 5.768 -10.589 1.00 1.71 H new ATOM 0 HB3 GLN A 133 -8.286 4.516 -11.815 1.00 1.71 H new ATOM 0 HG2 GLN A 133 -10.230 3.493 -10.258 1.00 2.11 H new ATOM 0 HG3 GLN A 133 -10.393 5.172 -9.782 1.00 2.11 H new ATOM 0 HE21 GLN A 133 -9.978 6.536 -12.157 1.00 2.37 H new ATOM 0 HE22 GLN A 133 -11.154 5.997 -13.360 1.00 2.37 H new ATOM 1977 N GLU A 134 -8.573 4.130 -7.685 1.00 1.14 N ATOM 1978 CA GLU A 134 -8.619 4.480 -6.278 1.00 1.64 C ATOM 1979 C GLU A 134 -8.082 3.316 -5.445 1.00 1.33 C ATOM 1980 O GLU A 134 -8.841 2.479 -4.956 1.00 1.72 O ATOM 1981 CB GLU A 134 -10.048 4.852 -5.881 1.00 2.28 C ATOM 1982 CG GLU A 134 -10.539 6.100 -6.618 1.00 2.52 C ATOM 1983 CD GLU A 134 -12.009 6.336 -6.308 1.00 3.59 C ATOM 1984 OE1 GLU A 134 -12.280 7.185 -5.434 1.00 3.79 O ATOM 1985 OE2 GLU A 134 -12.829 5.622 -6.923 1.00 4.82 O ATOM 0 H GLU A 134 -9.458 3.781 -8.053 1.00 1.14 H new ATOM 0 HA GLU A 134 -7.988 5.349 -6.089 1.00 1.64 H new ATOM 0 HB2 GLU A 134 -10.714 4.017 -6.098 1.00 2.28 H new ATOM 0 HB3 GLU A 134 -10.093 5.024 -4.806 1.00 2.28 H new ATOM 0 HG2 GLU A 134 -9.951 6.967 -6.317 1.00 2.52 H new ATOM 0 HG3 GLU A 134 -10.399 5.978 -7.692 1.00 2.52 H new ATOM 1992 N VAL A 135 -6.768 3.289 -5.234 1.00 0.87 N ATOM 1993 CA VAL A 135 -6.146 2.365 -4.291 1.00 0.83 C ATOM 1994 C VAL A 135 -6.377 2.906 -2.874 1.00 1.18 C ATOM 1995 O VAL A 135 -5.449 3.325 -2.191 1.00 2.03 O ATOM 1996 CB VAL A 135 -4.648 2.164 -4.611 1.00 0.79 C ATOM 1997 CG1 VAL A 135 -4.426 1.464 -5.955 1.00 1.05 C ATOM 1998 CG2 VAL A 135 -3.836 3.463 -4.603 1.00 1.12 C ATOM 0 H VAL A 135 -6.108 3.904 -5.710 1.00 0.87 H new ATOM 0 HA VAL A 135 -6.600 1.377 -4.372 1.00 0.83 H new ATOM 0 HB VAL A 135 -4.289 1.529 -3.801 1.00 0.79 H new ATOM 0 HG11 VAL A 135 -3.357 1.347 -6.132 1.00 1.05 H new ATOM 0 HG12 VAL A 135 -4.900 0.483 -5.937 1.00 1.05 H new ATOM 0 HG13 VAL A 135 -4.863 2.063 -6.754 1.00 1.05 H new ATOM 0 HG21 VAL A 135 -2.794 3.242 -4.836 1.00 1.12 H new ATOM 0 HG22 VAL A 135 -4.238 4.148 -5.350 1.00 1.12 H new ATOM 0 HG23 VAL A 135 -3.897 3.924 -3.617 1.00 1.12 H new ATOM 2008 N ALA A 136 -7.619 2.898 -2.393 1.00 0.98 N ATOM 2009 CA ALA A 136 -7.930 3.644 -1.178 1.00 1.14 C ATOM 2010 C ALA A 136 -7.348 2.885 0.018 1.00 1.00 C ATOM 2011 O ALA A 136 -7.583 1.686 0.158 1.00 1.00 O ATOM 2012 CB ALA A 136 -9.447 3.798 -1.048 1.00 1.45 C ATOM 0 H ALA A 136 -8.404 2.399 -2.811 1.00 0.98 H new ATOM 0 HA ALA A 136 -7.492 4.641 -1.215 1.00 1.14 H new ATOM 0 HB1 ALA A 136 -9.680 4.355 -0.141 1.00 1.45 H new ATOM 0 HB2 ALA A 136 -9.834 4.336 -1.913 1.00 1.45 H new ATOM 0 HB3 ALA A 136 -9.910 2.812 -0.997 1.00 1.45 H new ATOM 2018 N GLY A 137 -6.511 3.547 0.823 1.00 0.93 N ATOM 2019 CA GLY A 137 -5.791 2.906 1.909 1.00 0.82 C ATOM 2020 C GLY A 137 -5.354 3.903 2.975 1.00 0.76 C ATOM 2021 O GLY A 137 -5.512 5.110 2.797 1.00 0.87 O ATOM 0 H GLY A 137 -6.319 4.545 0.733 1.00 0.93 H new ATOM 0 HA2 GLY A 137 -6.425 2.145 2.364 1.00 0.82 H new ATOM 0 HA3 GLY A 137 -4.915 2.395 1.510 1.00 0.82 H new ATOM 2025 N SER A 138 -4.752 3.376 4.044 1.00 0.68 N ATOM 2026 CA SER A 138 -4.072 4.127 5.088 1.00 0.67 C ATOM 2027 C SER A 138 -2.948 3.244 5.630 1.00 0.56 C ATOM 2028 O SER A 138 -3.161 2.043 5.804 1.00 0.63 O ATOM 2029 CB SER A 138 -5.045 4.459 6.228 1.00 0.83 C ATOM 2030 OG SER A 138 -6.192 5.134 5.746 1.00 1.69 O ATOM 0 H SER A 138 -4.727 2.369 4.207 1.00 0.68 H new ATOM 0 HA SER A 138 -3.682 5.061 4.684 1.00 0.67 H new ATOM 0 HB2 SER A 138 -5.346 3.540 6.731 1.00 0.83 H new ATOM 0 HB3 SER A 138 -4.541 5.078 6.970 1.00 0.83 H new ATOM 0 HG SER A 138 -6.794 5.331 6.494 1.00 1.69 H new ATOM 2036 N ALA A 139 -1.774 3.815 5.915 1.00 0.57 N ATOM 2037 CA ALA A 139 -0.758 3.177 6.739 1.00 0.52 C ATOM 2038 C ALA A 139 -0.774 3.809 8.124 1.00 0.58 C ATOM 2039 O ALA A 139 -1.054 5.001 8.237 1.00 0.71 O ATOM 2040 CB ALA A 139 0.633 3.310 6.107 1.00 0.62 C ATOM 0 H ALA A 139 -1.506 4.739 5.576 1.00 0.57 H new ATOM 0 HA ALA A 139 -0.983 2.113 6.817 1.00 0.52 H new ATOM 0 HB1 ALA A 139 1.371 2.824 6.745 1.00 0.62 H new ATOM 0 HB2 ALA A 139 0.634 2.836 5.126 1.00 0.62 H new ATOM 0 HB3 ALA A 139 0.885 4.365 6.000 1.00 0.62 H new ATOM 2046 N GLU A 140 -0.431 3.023 9.150 1.00 0.60 N ATOM 2047 CA GLU A 140 0.232 3.550 10.334 1.00 0.64 C ATOM 2048 C GLU A 140 1.659 3.019 10.318 1.00 0.71 C ATOM 2049 O GLU A 140 1.869 1.808 10.227 1.00 1.11 O ATOM 2050 CB GLU A 140 -0.498 3.203 11.644 1.00 0.77 C ATOM 2051 CG GLU A 140 0.395 3.580 12.850 1.00 2.06 C ATOM 2052 CD GLU A 140 -0.339 3.935 14.134 1.00 2.41 C ATOM 2053 OE1 GLU A 140 -1.573 4.115 14.102 1.00 2.57 O ATOM 2054 OE2 GLU A 140 0.358 4.170 15.150 1.00 3.44 O ATOM 0 H GLU A 140 -0.605 2.018 9.178 1.00 0.60 H new ATOM 0 HA GLU A 140 0.223 4.640 10.302 1.00 0.64 H new ATOM 0 HB2 GLU A 140 -1.445 3.740 11.698 1.00 0.77 H new ATOM 0 HB3 GLU A 140 -0.733 2.139 11.671 1.00 0.77 H new ATOM 0 HG2 GLU A 140 1.065 2.745 13.056 1.00 2.06 H new ATOM 0 HG3 GLU A 140 1.019 4.427 12.565 1.00 2.06 H new ATOM 2061 N VAL A 141 2.631 3.927 10.429 1.00 0.64 N ATOM 2062 CA VAL A 141 4.008 3.603 10.741 1.00 0.67 C ATOM 2063 C VAL A 141 4.388 4.428 11.958 1.00 0.75 C ATOM 2064 O VAL A 141 3.883 5.536 12.132 1.00 1.20 O ATOM 2065 CB VAL A 141 4.937 3.869 9.545 1.00 0.75 C ATOM 2066 CG1 VAL A 141 4.475 3.043 8.344 1.00 1.88 C ATOM 2067 CG2 VAL A 141 5.013 5.336 9.129 1.00 2.15 C ATOM 0 H VAL A 141 2.470 4.926 10.300 1.00 0.64 H new ATOM 0 HA VAL A 141 4.117 2.540 10.958 1.00 0.67 H new ATOM 0 HB VAL A 141 5.936 3.580 9.872 1.00 0.75 H new ATOM 0 HG11 VAL A 141 5.134 3.232 7.497 1.00 1.88 H new ATOM 0 HG12 VAL A 141 4.506 1.983 8.598 1.00 1.88 H new ATOM 0 HG13 VAL A 141 3.455 3.324 8.080 1.00 1.88 H new ATOM 0 HG21 VAL A 141 5.688 5.439 8.280 1.00 2.15 H new ATOM 0 HG22 VAL A 141 4.020 5.686 8.848 1.00 2.15 H new ATOM 0 HG23 VAL A 141 5.385 5.932 9.963 1.00 2.15 H new ATOM 2077 N LYS A 142 5.251 3.891 12.816 1.00 0.68 N ATOM 2078 CA LYS A 142 5.721 4.610 13.977 1.00 0.82 C ATOM 2079 C LYS A 142 7.165 4.189 14.222 1.00 0.94 C ATOM 2080 O LYS A 142 7.469 3.011 14.390 1.00 1.19 O ATOM 2081 CB LYS A 142 4.765 4.366 15.152 1.00 0.96 C ATOM 2082 CG LYS A 142 4.948 2.972 15.759 1.00 1.08 C ATOM 2083 CD LYS A 142 3.682 2.372 16.396 1.00 1.32 C ATOM 2084 CE LYS A 142 3.033 3.217 17.500 1.00 2.58 C ATOM 2085 NZ LYS A 142 2.225 4.327 16.956 1.00 3.42 N ATOM 0 H LYS A 142 5.637 2.952 12.720 1.00 0.68 H new ATOM 0 HA LYS A 142 5.722 5.691 13.835 1.00 0.82 H new ATOM 0 HB2 LYS A 142 4.934 5.121 15.920 1.00 0.96 H new ATOM 0 HB3 LYS A 142 3.736 4.481 14.812 1.00 0.96 H new ATOM 0 HG2 LYS A 142 5.301 2.296 14.980 1.00 1.08 H new ATOM 0 HG3 LYS A 142 5.730 3.021 16.517 1.00 1.08 H new ATOM 0 HD2 LYS A 142 2.945 2.205 15.610 1.00 1.32 H new ATOM 0 HD3 LYS A 142 3.933 1.396 16.810 1.00 1.32 H new ATOM 0 HE2 LYS A 142 2.401 2.579 18.118 1.00 2.58 H new ATOM 0 HE3 LYS A 142 3.810 3.621 18.149 1.00 2.58 H new ATOM 0 HZ1 LYS A 142 1.474 4.574 17.632 1.00 3.42 H new ATOM 0 HZ2 LYS A 142 2.834 5.155 16.798 1.00 3.42 H new ATOM 0 HZ3 LYS A 142 1.797 4.035 16.054 1.00 3.42 H new ATOM 2099 N THR A 143 8.065 5.160 14.221 1.00 1.02 N ATOM 2100 CA THR A 143 9.424 4.959 14.689 1.00 1.18 C ATOM 2101 C THR A 143 9.863 6.313 15.238 1.00 1.17 C ATOM 2102 O THR A 143 9.048 7.239 15.282 1.00 1.07 O ATOM 2103 CB THR A 143 10.346 4.360 13.605 1.00 1.30 C ATOM 2104 OG1 THR A 143 11.677 4.276 14.081 1.00 2.62 O ATOM 2105 CG2 THR A 143 10.350 5.070 12.250 1.00 2.42 C ATOM 0 H THR A 143 7.873 6.107 13.896 1.00 1.02 H new ATOM 0 HA THR A 143 9.485 4.205 15.474 1.00 1.18 H new ATOM 0 HB THR A 143 9.917 3.376 13.416 1.00 1.30 H new ATOM 0 HG1 THR A 143 11.685 3.827 14.952 1.00 2.62 H new ATOM 0 HG21 THR A 143 11.034 4.558 11.573 1.00 2.42 H new ATOM 0 HG22 THR A 143 9.345 5.056 11.829 1.00 2.42 H new ATOM 0 HG23 THR A 143 10.674 6.102 12.381 1.00 2.42 H new ATOM 2113 N VAL A 144 11.142 6.450 15.588 1.00 1.33 N ATOM 2114 CA VAL A 144 11.742 7.693 16.066 1.00 1.35 C ATOM 2115 C VAL A 144 11.352 8.860 15.149 1.00 1.28 C ATOM 2116 O VAL A 144 11.163 9.980 15.614 1.00 1.33 O ATOM 2117 CB VAL A 144 13.271 7.536 16.182 1.00 1.54 C ATOM 2118 CG1 VAL A 144 13.908 8.786 16.807 1.00 2.16 C ATOM 2119 CG2 VAL A 144 13.648 6.329 17.053 1.00 1.69 C ATOM 0 H VAL A 144 11.806 5.677 15.545 1.00 1.33 H new ATOM 0 HA VAL A 144 11.359 7.918 17.061 1.00 1.35 H new ATOM 0 HB VAL A 144 13.645 7.390 15.169 1.00 1.54 H new ATOM 0 HG11 VAL A 144 14.987 8.648 16.877 1.00 2.16 H new ATOM 0 HG12 VAL A 144 13.693 9.654 16.184 1.00 2.16 H new ATOM 0 HG13 VAL A 144 13.497 8.944 17.804 1.00 2.16 H new ATOM 0 HG21 VAL A 144 14.733 6.248 17.113 1.00 1.69 H new ATOM 0 HG22 VAL A 144 13.238 6.461 18.054 1.00 1.69 H new ATOM 0 HG23 VAL A 144 13.241 5.420 16.611 1.00 1.69 H new ATOM 2129 N ASN A 145 11.198 8.580 13.848 1.00 1.27 N ATOM 2130 CA ASN A 145 10.606 9.519 12.899 1.00 1.27 C ATOM 2131 C ASN A 145 9.679 8.746 11.962 1.00 1.16 C ATOM 2132 O ASN A 145 9.812 8.833 10.746 1.00 1.36 O ATOM 2133 CB ASN A 145 11.707 10.223 12.084 1.00 1.57 C ATOM 2134 CG ASN A 145 12.779 10.882 12.942 1.00 2.32 C ATOM 2135 OD1 ASN A 145 12.771 12.089 13.153 1.00 3.40 O ATOM 2136 ND2 ASN A 145 13.735 10.088 13.418 1.00 2.36 N ATOM 0 H ASN A 145 11.482 7.695 13.428 1.00 1.27 H new ATOM 0 HA ASN A 145 10.042 10.279 13.440 1.00 1.27 H new ATOM 0 HB2 ASN A 145 12.179 9.495 11.424 1.00 1.57 H new ATOM 0 HB3 ASN A 145 11.248 10.980 11.448 1.00 1.57 H new ATOM 0 HD21 ASN A 145 14.492 10.480 13.978 1.00 2.36 H new ATOM 0 HD22 ASN A 145 13.711 9.087 13.223 1.00 2.36 H new ATOM 2143 N GLY A 146 8.713 8.013 12.524 1.00 0.96 N ATOM 2144 CA GLY A 146 7.693 7.320 11.746 1.00 0.97 C ATOM 2145 C GLY A 146 6.376 8.040 11.951 1.00 0.76 C ATOM 2146 O GLY A 146 5.915 8.168 13.084 1.00 0.80 O ATOM 0 H GLY A 146 8.620 7.886 13.532 1.00 0.96 H new ATOM 0 HA2 GLY A 146 7.961 7.310 10.690 1.00 0.97 H new ATOM 0 HA3 GLY A 146 7.612 6.281 12.064 1.00 0.97 H new ATOM 2150 N ILE A 147 5.806 8.537 10.858 1.00 0.71 N ATOM 2151 CA ILE A 147 4.640 9.388 10.868 1.00 0.74 C ATOM 2152 C ILE A 147 3.390 8.520 10.736 1.00 0.78 C ATOM 2153 O ILE A 147 3.236 7.777 9.775 1.00 1.11 O ATOM 2154 CB ILE A 147 4.729 10.435 9.734 1.00 0.93 C ATOM 2155 CG1 ILE A 147 5.307 9.856 8.433 1.00 1.22 C ATOM 2156 CG2 ILE A 147 5.485 11.684 10.195 1.00 1.52 C ATOM 2157 CD1 ILE A 147 6.835 9.949 8.281 1.00 1.18 C ATOM 0 H ILE A 147 6.158 8.349 9.919 1.00 0.71 H new ATOM 0 HA ILE A 147 4.587 9.935 11.809 1.00 0.74 H new ATOM 0 HB ILE A 147 3.708 10.734 9.498 1.00 0.93 H new ATOM 0 HG12 ILE A 147 5.017 8.808 8.363 1.00 1.22 H new ATOM 0 HG13 ILE A 147 4.845 10.371 7.591 1.00 1.22 H new ATOM 0 HG21 ILE A 147 5.532 12.403 9.377 1.00 1.52 H new ATOM 0 HG22 ILE A 147 4.966 12.132 11.042 1.00 1.52 H new ATOM 0 HG23 ILE A 147 6.496 11.408 10.494 1.00 1.52 H new ATOM 0 HD11 ILE A 147 7.133 9.511 7.328 1.00 1.18 H new ATOM 0 HD12 ILE A 147 7.141 10.995 8.311 1.00 1.18 H new ATOM 0 HD13 ILE A 147 7.315 9.407 9.096 1.00 1.18 H new ATOM 2169 N ARG A 148 2.496 8.613 11.716 1.00 0.91 N ATOM 2170 CA ARG A 148 1.356 7.716 11.824 1.00 0.91 C ATOM 2171 C ARG A 148 0.362 7.910 10.681 1.00 0.91 C ATOM 2172 O ARG A 148 0.202 7.021 9.853 1.00 1.23 O ATOM 2173 CB ARG A 148 0.666 7.872 13.181 1.00 1.07 C ATOM 2174 CG ARG A 148 1.537 7.344 14.327 1.00 1.58 C ATOM 2175 CD ARG A 148 0.804 7.506 15.667 1.00 1.83 C ATOM 2176 NE ARG A 148 -0.438 6.709 15.672 1.00 1.75 N ATOM 2177 CZ ARG A 148 -1.677 7.179 15.439 1.00 1.91 C ATOM 2178 NH1 ARG A 148 -1.954 8.473 15.618 1.00 2.43 N ATOM 2179 NH2 ARG A 148 -2.628 6.361 14.987 1.00 2.35 N ATOM 0 H ARG A 148 2.544 9.313 12.456 1.00 0.91 H new ATOM 0 HA ARG A 148 1.739 6.698 11.747 1.00 0.91 H new ATOM 0 HB2 ARG A 148 0.437 8.924 13.353 1.00 1.07 H new ATOM 0 HB3 ARG A 148 -0.283 7.337 13.170 1.00 1.07 H new ATOM 0 HG2 ARG A 148 1.775 6.294 14.159 1.00 1.58 H new ATOM 0 HG3 ARG A 148 2.483 7.885 14.354 1.00 1.58 H new ATOM 0 HD2 ARG A 148 1.451 7.188 16.484 1.00 1.83 H new ATOM 0 HD3 ARG A 148 0.570 8.557 15.836 1.00 1.83 H new ATOM 0 HE ARG A 148 -0.349 5.712 15.870 1.00 1.75 H new ATOM 0 HH11 ARG A 148 -1.224 9.112 15.933 1.00 2.43 H new ATOM 0 HH12 ARG A 148 -2.895 8.822 15.439 1.00 2.43 H new ATOM 0 HH21 ARG A 148 -2.417 5.378 14.817 1.00 2.35 H new ATOM 0 HH22 ARG A 148 -3.567 6.719 14.811 1.00 2.35 H new ATOM 2193 N HIS A 149 -0.360 9.032 10.670 1.00 0.89 N ATOM 2194 CA HIS A 149 -1.504 9.210 9.785 1.00 0.97 C ATOM 2195 C HIS A 149 -1.045 9.468 8.349 1.00 1.05 C ATOM 2196 O HIS A 149 -1.095 10.599 7.870 1.00 1.43 O ATOM 2197 CB HIS A 149 -2.418 10.319 10.324 1.00 1.11 C ATOM 2198 CG HIS A 149 -3.148 9.919 11.583 1.00 1.23 C ATOM 2199 ND1 HIS A 149 -4.403 9.357 11.642 1.00 2.50 N ATOM 2200 CD2 HIS A 149 -2.662 9.978 12.861 1.00 1.20 C ATOM 2201 CE1 HIS A 149 -4.665 9.086 12.934 1.00 2.28 C ATOM 2202 NE2 HIS A 149 -3.629 9.433 13.718 1.00 1.17 N ATOM 0 H HIS A 149 -0.168 9.834 11.270 1.00 0.89 H new ATOM 0 HA HIS A 149 -2.089 8.291 9.762 1.00 0.97 H new ATOM 0 HB2 HIS A 149 -1.822 11.209 10.523 1.00 1.11 H new ATOM 0 HB3 HIS A 149 -3.146 10.587 9.558 1.00 1.11 H new ATOM 0 HD1 HIS A 149 -5.022 9.178 10.851 1.00 2.50 H new ATOM 0 HD2 HIS A 149 -1.702 10.375 13.157 1.00 1.20 H new ATOM 0 HE1 HIS A 149 -5.585 8.648 13.293 1.00 2.28 H new ATOM 2210 N ILE A 150 -0.614 8.407 7.666 1.00 0.82 N ATOM 2211 CA ILE A 150 -0.254 8.449 6.261 1.00 0.79 C ATOM 2212 C ILE A 150 -1.523 8.391 5.411 1.00 0.87 C ATOM 2213 O ILE A 150 -2.262 7.406 5.459 1.00 1.06 O ATOM 2214 CB ILE A 150 0.727 7.308 5.937 1.00 0.87 C ATOM 2215 CG1 ILE A 150 2.124 7.707 6.443 1.00 1.00 C ATOM 2216 CG2 ILE A 150 0.778 6.989 4.435 1.00 1.34 C ATOM 2217 CD1 ILE A 150 3.161 6.588 6.339 1.00 1.20 C ATOM 0 H ILE A 150 -0.506 7.484 8.086 1.00 0.82 H new ATOM 0 HA ILE A 150 0.256 9.384 6.028 1.00 0.79 H new ATOM 0 HB ILE A 150 0.380 6.404 6.437 1.00 0.87 H new ATOM 0 HG12 ILE A 150 2.474 8.568 5.874 1.00 1.00 H new ATOM 0 HG13 ILE A 150 2.047 8.023 7.483 1.00 1.00 H new ATOM 0 HG21 ILE A 150 1.484 6.178 4.259 1.00 1.34 H new ATOM 0 HG22 ILE A 150 -0.212 6.689 4.093 1.00 1.34 H new ATOM 0 HG23 ILE A 150 1.098 7.874 3.886 1.00 1.34 H new ATOM 0 HD11 ILE A 150 4.120 6.945 6.714 1.00 1.20 H new ATOM 0 HD12 ILE A 150 2.835 5.733 6.931 1.00 1.20 H new ATOM 0 HD13 ILE A 150 3.268 6.287 5.297 1.00 1.20 H new ATOM 2229 N GLY A 151 -1.745 9.428 4.602 1.00 0.79 N ATOM 2230 CA GLY A 151 -2.745 9.437 3.554 1.00 0.88 C ATOM 2231 C GLY A 151 -2.184 8.710 2.334 1.00 0.67 C ATOM 2232 O GLY A 151 -1.205 9.157 1.732 1.00 0.76 O ATOM 0 H GLY A 151 -1.219 10.300 4.665 1.00 0.79 H new ATOM 0 HA2 GLY A 151 -3.657 8.949 3.898 1.00 0.88 H new ATOM 0 HA3 GLY A 151 -3.010 10.462 3.294 1.00 0.88 H new ATOM 2236 N LEU A 152 -2.791 7.574 1.984 1.00 0.59 N ATOM 2237 CA LEU A 152 -2.413 6.772 0.832 1.00 0.68 C ATOM 2238 C LEU A 152 -3.348 7.132 -0.323 1.00 0.58 C ATOM 2239 O LEU A 152 -4.561 6.974 -0.191 1.00 0.69 O ATOM 2240 CB LEU A 152 -2.538 5.293 1.219 1.00 1.09 C ATOM 2241 CG LEU A 152 -1.872 4.284 0.278 1.00 0.72 C ATOM 2242 CD1 LEU A 152 -2.442 4.287 -1.138 1.00 0.68 C ATOM 2243 CD2 LEU A 152 -0.350 4.437 0.251 1.00 0.79 C ATOM 0 H LEU A 152 -3.574 7.183 2.508 1.00 0.59 H new ATOM 0 HA LEU A 152 -1.386 6.963 0.520 1.00 0.68 H new ATOM 0 HB2 LEU A 152 -2.114 5.163 2.215 1.00 1.09 H new ATOM 0 HB3 LEU A 152 -3.597 5.047 1.290 1.00 1.09 H new ATOM 0 HG LEU A 152 -2.111 3.309 0.702 1.00 0.72 H new ATOM 0 HD11 LEU A 152 -1.919 3.546 -1.743 1.00 0.68 H new ATOM 0 HD12 LEU A 152 -3.504 4.042 -1.103 1.00 0.68 H new ATOM 0 HD13 LEU A 152 -2.311 5.274 -1.581 1.00 0.68 H new ATOM 0 HD21 LEU A 152 0.078 3.701 -0.430 1.00 0.79 H new ATOM 0 HD22 LEU A 152 -0.091 5.439 -0.090 1.00 0.79 H new ATOM 0 HD23 LEU A 152 0.049 4.280 1.253 1.00 0.79 H new ATOM 2255 N ALA A 153 -2.809 7.610 -1.448 1.00 0.66 N ATOM 2256 CA ALA A 153 -3.607 7.923 -2.626 1.00 0.75 C ATOM 2257 C ALA A 153 -2.811 7.657 -3.902 1.00 0.71 C ATOM 2258 O ALA A 153 -1.714 8.193 -4.060 1.00 0.91 O ATOM 2259 CB ALA A 153 -4.054 9.387 -2.563 1.00 0.93 C ATOM 0 H ALA A 153 -1.811 7.789 -1.563 1.00 0.66 H new ATOM 0 HA ALA A 153 -4.488 7.281 -2.642 1.00 0.75 H new ATOM 0 HB1 ALA A 153 -4.651 9.623 -3.444 1.00 0.93 H new ATOM 0 HB2 ALA A 153 -4.652 9.547 -1.666 1.00 0.93 H new ATOM 0 HB3 ALA A 153 -3.177 10.034 -2.535 1.00 0.93 H new ATOM 2265 N ALA A 154 -3.378 6.867 -4.823 1.00 0.80 N ATOM 2266 CA ALA A 154 -2.978 6.804 -6.223 1.00 0.74 C ATOM 2267 C ALA A 154 -4.242 6.955 -7.059 1.00 0.65 C ATOM 2268 O ALA A 154 -5.342 6.806 -6.530 1.00 0.88 O ATOM 2269 CB ALA A 154 -2.266 5.493 -6.568 1.00 1.27 C ATOM 0 H ALA A 154 -4.150 6.238 -4.602 1.00 0.80 H new ATOM 0 HA ALA A 154 -2.264 7.601 -6.431 1.00 0.74 H new ATOM 0 HB1 ALA A 154 -1.989 5.496 -7.622 1.00 1.27 H new ATOM 0 HB2 ALA A 154 -1.369 5.395 -5.957 1.00 1.27 H new ATOM 0 HB3 ALA A 154 -2.933 4.654 -6.371 1.00 1.27 H new ATOM 2275 N LYS A 155 -4.068 7.340 -8.321 1.00 0.79 N ATOM 2276 CA LYS A 155 -5.135 7.541 -9.293 1.00 1.03 C ATOM 2277 C LYS A 155 -4.530 7.495 -10.698 1.00 1.35 C ATOM 2278 O LYS A 155 -3.721 8.361 -11.027 1.00 2.02 O ATOM 2279 CB LYS A 155 -5.879 8.857 -9.015 1.00 1.61 C ATOM 2280 CG LYS A 155 -4.948 9.924 -8.426 1.00 1.86 C ATOM 2281 CD LYS A 155 -5.638 11.288 -8.376 1.00 2.22 C ATOM 2282 CE LYS A 155 -4.696 12.345 -7.782 1.00 3.91 C ATOM 2283 NZ LYS A 155 -5.331 13.677 -7.712 1.00 4.88 N ATOM 0 H LYS A 155 -3.143 7.527 -8.708 1.00 0.79 H new ATOM 0 HA LYS A 155 -5.877 6.747 -9.212 1.00 1.03 H new ATOM 0 HB2 LYS A 155 -6.318 9.229 -9.941 1.00 1.61 H new ATOM 0 HB3 LYS A 155 -6.701 8.671 -8.324 1.00 1.61 H new ATOM 0 HG2 LYS A 155 -4.642 9.630 -7.422 1.00 1.86 H new ATOM 0 HG3 LYS A 155 -4.042 9.993 -9.028 1.00 1.86 H new ATOM 0 HD2 LYS A 155 -5.942 11.586 -9.380 1.00 2.22 H new ATOM 0 HD3 LYS A 155 -6.545 11.222 -7.775 1.00 2.22 H new ATOM 0 HE2 LYS A 155 -4.390 12.037 -6.782 1.00 3.91 H new ATOM 0 HE3 LYS A 155 -3.792 12.406 -8.388 1.00 3.91 H new ATOM 0 HZ1 LYS A 155 -4.661 14.360 -7.305 1.00 4.88 H new ATOM 0 HZ2 LYS A 155 -5.600 13.984 -8.668 1.00 4.88 H new ATOM 0 HZ3 LYS A 155 -6.180 13.626 -7.113 1.00 4.88 H new ATOM 2297 N GLN A 156 -4.881 6.490 -11.507 1.00 1.18 N ATOM 2298 CA GLN A 156 -4.298 6.255 -12.811 1.00 1.49 C ATOM 2299 C GLN A 156 -5.422 5.885 -13.776 1.00 2.42 C ATOM 2300 O GLN A 156 -5.828 6.727 -14.607 1.00 3.16 O ATOM 2301 CB GLN A 156 -3.260 5.126 -12.684 1.00 1.74 C ATOM 2302 CG GLN A 156 -3.707 4.013 -11.715 1.00 2.01 C ATOM 2303 CD GLN A 156 -3.518 4.347 -10.238 1.00 3.15 C ATOM 2304 OE1 GLN A 156 -2.715 5.200 -9.861 1.00 4.69 O ATOM 2305 NE2 GLN A 156 -4.280 3.668 -9.390 1.00 3.00 N ATOM 0 H GLN A 156 -5.596 5.807 -11.258 1.00 1.18 H new ATOM 0 HA GLN A 156 -3.792 7.141 -13.194 1.00 1.49 H new ATOM 0 HB2 GLN A 156 -3.077 4.694 -13.668 1.00 1.74 H new ATOM 0 HB3 GLN A 156 -2.314 5.544 -12.339 1.00 1.74 H new ATOM 0 HG2 GLN A 156 -4.760 3.795 -11.893 1.00 2.01 H new ATOM 0 HG3 GLN A 156 -3.150 3.104 -11.943 1.00 2.01 H new ATOM 0 HE21 GLN A 156 -4.934 2.968 -9.740 1.00 3.00 H new ATOM 0 HE22 GLN A 156 -4.211 3.846 -8.388 1.00 3.00 H new