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 131 LYS NZ :NH3+ -155:sc= 1.22 (180deg=0) USER MOD Set 1.2: A 156 GLN : amide:sc= 0.391! C(o=1.6!,f=-10!) USER MOD Set 2.1: A 116 ASN : amide:sc= 1.13 K(o=0.66,f=-0.91) USER MOD Set 2.2: A 117 GLN : amide:sc= -0.464 K(o=0.66,f=-0.91) USER MOD Set 3.1: A 66 LYS NZ :NH3+ 177:sc= 1.26 (180deg=1.24) USER MOD Set 3.2: A 84 HIS : no HE2:sc= 0.375 K(o=1.6,f=-1.3!) USER MOD Set 4.1: A 40 THR OG1 : rot 60:sc= 0.479 USER MOD Set 4.2: A 41 SER OG : rot 180:sc= 0.99 USER MOD Set 4.3: A 76 LYS NZ :NH3+ -159:sc= 2.2 (180deg=-0.312) USER MOD Set 4.4: A 106 HIS : no HE2:sc= -2.47 K(o=1.2,f=-4.8!) USER MOD Single : A 39 HIS : no HD1:sc=-0.00431 K(o=-0.0043,f=-0.57) USER MOD Single : A 44 LYS NZ :NH3+ 155:sc= 2.24 (180deg=0.288) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 137:sc= 1.27 USER MOD Single : A 56 THR OG1 : rot 39:sc= 0.693 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -93:sc= 0.487 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0948 USER MOD Single : A 77 GLN : amide:sc= -0.947 K(o=-0.95,f=-8.7!) USER MOD Single : A 79 ASN : amide:sc= -0.178 K(o=-0.18,f=-7.9!) USER MOD Single : A 81 LYS NZ :NH3+ -177:sc= 0.999 (180deg=0.747) USER MOD Single : A 86 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0245) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.649! C(o=-0.65!,f=-2.7!) USER MOD Single : A 100 LYS NZ :NH3+ 176:sc= 1.75 (180deg=1.52) USER MOD Single : A 104 LYS NZ :NH3+ 172:sc= 2.02 (180deg=1.61) USER MOD Single : A 110 SER OG : rot 44:sc= 0.569 USER MOD Single : A 112 SER OG : rot -139:sc= 1.25 USER MOD Single : A 115 TYR OH : rot 66:sc= 1.29 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 SER OG : rot -92:sc= 1.26 USER MOD Single : A 123 TYR OH : rot 180:sc= -0.0514 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 133 GLN : amide:sc= -0.061 X(o=-0.061,f=-0.15) USER MOD Single : A 138 SER OG : rot 5:sc= 0.329 USER MOD Single : A 142 LYS NZ :NH3+ 165:sc= -0.0386 (180deg=-0.407) USER MOD Single : A 143 THR OG1 : rot -161:sc= 1.79 USER MOD Single : A 145 ASN : amide:sc= -0.0967 X(o=-0.097,f=-0.089) USER MOD Single : A 149 HIS : no HE2:sc= 0.155 K(o=0.15,f=-5.4!) USER MOD Single : A 155 LYS NZ :NH3+ -171:sc= 0.971 (180deg=0.664) USER MOD ----------------------------------------------------------------- ATOM 560 N GLY A 37 -9.078 -14.109 -3.422 1.00 1.99 N ATOM 561 CA GLY A 37 -9.580 -12.762 -3.567 1.00 1.88 C ATOM 562 C GLY A 37 -11.103 -12.805 -3.726 1.00 1.83 C ATOM 563 O GLY A 37 -11.831 -12.023 -3.111 1.00 2.71 O ATOM 0 HA2 GLY A 37 -9.310 -12.165 -2.696 1.00 1.88 H new ATOM 0 HA3 GLY A 37 -9.125 -12.283 -4.434 1.00 1.88 H new ATOM 567 N GLU A 38 -11.585 -13.706 -4.588 1.00 1.45 N ATOM 568 CA GLU A 38 -12.974 -13.811 -5.016 1.00 1.47 C ATOM 569 C GLU A 38 -13.513 -12.482 -5.528 1.00 1.24 C ATOM 570 O GLU A 38 -13.465 -12.225 -6.726 1.00 1.21 O ATOM 571 CB GLU A 38 -13.870 -14.417 -3.927 1.00 1.79 C ATOM 572 CG GLU A 38 -13.618 -15.920 -3.764 1.00 2.30 C ATOM 573 CD GLU A 38 -14.504 -16.726 -4.705 1.00 3.52 C ATOM 574 OE1 GLU A 38 -15.652 -16.995 -4.291 1.00 4.49 O ATOM 575 OE2 GLU A 38 -14.039 -17.046 -5.821 1.00 4.60 O ATOM 0 H GLU A 38 -10.988 -14.410 -5.022 1.00 1.45 H new ATOM 0 HA GLU A 38 -12.994 -14.504 -5.857 1.00 1.47 H new ATOM 0 HB2 GLU A 38 -13.685 -13.911 -2.979 1.00 1.79 H new ATOM 0 HB3 GLU A 38 -14.917 -14.248 -4.180 1.00 1.79 H new ATOM 0 HG2 GLU A 38 -12.570 -16.141 -3.967 1.00 2.30 H new ATOM 0 HG3 GLU A 38 -13.812 -16.216 -2.733 1.00 2.30 H new ATOM 582 N HIS A 39 -14.049 -11.639 -4.644 1.00 1.26 N ATOM 583 CA HIS A 39 -14.876 -10.520 -5.036 1.00 1.39 C ATOM 584 C HIS A 39 -14.003 -9.490 -5.741 1.00 1.23 C ATOM 585 O HIS A 39 -14.374 -8.969 -6.789 1.00 1.39 O ATOM 586 CB HIS A 39 -15.556 -9.941 -3.798 1.00 1.75 C ATOM 587 CG HIS A 39 -16.611 -10.829 -3.184 1.00 2.61 C ATOM 588 ND1 HIS A 39 -16.453 -12.134 -2.771 1.00 3.26 N ATOM 589 CD2 HIS A 39 -17.897 -10.459 -2.893 1.00 3.67 C ATOM 590 CE1 HIS A 39 -17.622 -12.538 -2.245 1.00 4.10 C ATOM 591 NE2 HIS A 39 -18.529 -11.547 -2.287 1.00 4.37 N ATOM 0 H HIS A 39 -13.916 -11.722 -3.636 1.00 1.26 H new ATOM 0 HA HIS A 39 -15.658 -10.834 -5.728 1.00 1.39 H new ATOM 0 HB2 HIS A 39 -14.795 -9.732 -3.047 1.00 1.75 H new ATOM 0 HB3 HIS A 39 -16.013 -8.988 -4.064 1.00 1.75 H new ATOM 0 HD2 HIS A 39 -18.343 -9.497 -3.096 1.00 3.67 H new ATOM 0 HE1 HIS A 39 -17.807 -13.523 -1.844 1.00 4.10 H new ATOM 0 HE2 HIS A 39 -19.489 -11.583 -1.944 1.00 4.37 H new ATOM 599 N THR A 40 -12.821 -9.228 -5.175 1.00 1.21 N ATOM 600 CA THR A 40 -11.853 -8.320 -5.763 1.00 1.28 C ATOM 601 C THR A 40 -11.527 -8.700 -7.209 1.00 1.12 C ATOM 602 O THR A 40 -11.365 -7.843 -8.067 1.00 1.30 O ATOM 603 CB THR A 40 -10.581 -8.245 -4.896 1.00 1.53 C ATOM 604 OG1 THR A 40 -9.572 -7.591 -5.630 1.00 2.30 O ATOM 605 CG2 THR A 40 -10.020 -9.590 -4.434 1.00 2.17 C ATOM 0 H THR A 40 -12.516 -9.644 -4.295 1.00 1.21 H new ATOM 0 HA THR A 40 -12.300 -7.326 -5.790 1.00 1.28 H new ATOM 0 HB THR A 40 -10.879 -7.709 -3.994 1.00 1.53 H new ATOM 0 HG1 THR A 40 -9.871 -6.687 -5.863 1.00 2.30 H new ATOM 0 HG21 THR A 40 -9.127 -9.424 -3.832 1.00 2.17 H new ATOM 0 HG22 THR A 40 -10.769 -10.111 -3.837 1.00 2.17 H new ATOM 0 HG23 THR A 40 -9.764 -10.195 -5.303 1.00 2.17 H new ATOM 613 N SER A 41 -11.294 -9.983 -7.458 1.00 1.02 N ATOM 614 CA SER A 41 -10.958 -10.485 -8.786 1.00 0.97 C ATOM 615 C SER A 41 -12.182 -10.468 -9.707 1.00 0.94 C ATOM 616 O SER A 41 -12.164 -9.822 -10.755 1.00 1.01 O ATOM 617 CB SER A 41 -10.296 -11.849 -8.624 1.00 1.16 C ATOM 618 OG SER A 41 -9.225 -11.702 -7.703 1.00 2.41 O ATOM 0 H SER A 41 -11.333 -10.708 -6.742 1.00 1.02 H new ATOM 0 HA SER A 41 -10.241 -9.835 -9.287 1.00 0.97 H new ATOM 0 HB2 SER A 41 -11.015 -12.583 -8.260 1.00 1.16 H new ATOM 0 HB3 SER A 41 -9.928 -12.212 -9.584 1.00 1.16 H new ATOM 0 HG SER A 41 -8.781 -12.566 -7.577 1.00 2.41 H new ATOM 624 N PHE A 42 -13.256 -11.130 -9.267 1.00 1.07 N ATOM 625 CA PHE A 42 -14.573 -11.187 -9.896 1.00 1.31 C ATOM 626 C PHE A 42 -15.062 -9.806 -10.334 1.00 1.37 C ATOM 627 O PHE A 42 -15.728 -9.685 -11.368 1.00 1.51 O ATOM 628 CB PHE A 42 -15.562 -11.809 -8.903 1.00 1.62 C ATOM 629 CG PHE A 42 -17.022 -11.725 -9.299 1.00 1.89 C ATOM 630 CD1 PHE A 42 -17.475 -12.356 -10.471 1.00 3.12 C ATOM 631 CD2 PHE A 42 -17.926 -11.000 -8.499 1.00 1.94 C ATOM 632 CE1 PHE A 42 -18.826 -12.255 -10.845 1.00 3.49 C ATOM 633 CE2 PHE A 42 -19.282 -10.929 -8.857 1.00 2.16 C ATOM 634 CZ PHE A 42 -19.732 -11.550 -10.034 1.00 2.64 C ATOM 0 H PHE A 42 -13.223 -11.675 -8.405 1.00 1.07 H new ATOM 0 HA PHE A 42 -14.501 -11.797 -10.796 1.00 1.31 H new ATOM 0 HB2 PHE A 42 -15.301 -12.858 -8.765 1.00 1.62 H new ATOM 0 HB3 PHE A 42 -15.437 -11.320 -7.937 1.00 1.62 H new ATOM 0 HD1 PHE A 42 -16.785 -12.918 -11.083 1.00 3.12 H new ATOM 0 HD2 PHE A 42 -17.576 -10.498 -7.609 1.00 1.94 H new ATOM 0 HE1 PHE A 42 -19.169 -12.720 -11.757 1.00 3.49 H new ATOM 0 HE2 PHE A 42 -19.979 -10.397 -8.227 1.00 2.16 H new ATOM 0 HZ PHE A 42 -20.773 -11.486 -10.315 1.00 2.64 H new ATOM 644 N ASP A 43 -14.739 -8.763 -9.561 1.00 1.39 N ATOM 645 CA ASP A 43 -14.992 -7.377 -9.929 1.00 1.58 C ATOM 646 C ASP A 43 -14.644 -7.112 -11.386 1.00 1.58 C ATOM 647 O ASP A 43 -15.457 -6.500 -12.065 1.00 2.07 O ATOM 648 CB ASP A 43 -14.168 -6.429 -9.070 1.00 1.71 C ATOM 649 CG ASP A 43 -14.512 -4.977 -9.343 1.00 1.83 C ATOM 650 OD1 ASP A 43 -15.703 -4.727 -9.631 1.00 2.46 O ATOM 651 OD2 ASP A 43 -13.613 -4.125 -9.202 1.00 2.38 O ATOM 0 H ASP A 43 -14.289 -8.866 -8.651 1.00 1.39 H new ATOM 0 HA ASP A 43 -16.056 -7.203 -9.771 1.00 1.58 H new ATOM 0 HB2 ASP A 43 -14.339 -6.651 -8.017 1.00 1.71 H new ATOM 0 HB3 ASP A 43 -13.108 -6.593 -9.262 1.00 1.71 H new ATOM 656 N LYS A 44 -13.503 -7.655 -11.835 1.00 1.30 N ATOM 657 CA LYS A 44 -12.960 -7.796 -13.188 1.00 1.41 C ATOM 658 C LYS A 44 -11.517 -7.306 -13.203 1.00 1.39 C ATOM 659 O LYS A 44 -11.149 -6.401 -13.948 1.00 1.68 O ATOM 660 CB LYS A 44 -13.829 -7.203 -14.309 1.00 1.75 C ATOM 661 CG LYS A 44 -15.078 -8.081 -14.500 1.00 2.86 C ATOM 662 CD LYS A 44 -16.358 -7.246 -14.672 1.00 3.18 C ATOM 663 CE LYS A 44 -17.591 -7.951 -14.085 1.00 4.60 C ATOM 664 NZ LYS A 44 -17.479 -8.105 -12.619 1.00 5.39 N ATOM 0 H LYS A 44 -12.853 -8.060 -11.161 1.00 1.30 H new ATOM 0 HA LYS A 44 -12.974 -8.858 -13.432 1.00 1.41 H new ATOM 0 HB2 LYS A 44 -14.122 -6.184 -14.058 1.00 1.75 H new ATOM 0 HB3 LYS A 44 -13.260 -7.152 -15.238 1.00 1.75 H new ATOM 0 HG2 LYS A 44 -14.942 -8.717 -15.374 1.00 2.86 H new ATOM 0 HG3 LYS A 44 -15.190 -8.741 -13.640 1.00 2.86 H new ATOM 0 HD2 LYS A 44 -16.228 -6.279 -14.186 1.00 3.18 H new ATOM 0 HD3 LYS A 44 -16.523 -7.050 -15.731 1.00 3.18 H new ATOM 0 HE2 LYS A 44 -18.487 -7.379 -14.325 1.00 4.60 H new ATOM 0 HE3 LYS A 44 -17.706 -8.931 -14.547 1.00 4.60 H new ATOM 0 HZ1 LYS A 44 -18.430 -8.176 -12.204 1.00 5.39 H new ATOM 0 HZ2 LYS A 44 -16.941 -8.968 -12.401 1.00 5.39 H new ATOM 0 HZ3 LYS A 44 -16.987 -7.280 -12.220 1.00 5.39 H new ATOM 678 N LEU A 45 -10.694 -7.965 -12.384 1.00 1.32 N ATOM 679 CA LEU A 45 -9.243 -7.873 -12.415 1.00 1.44 C ATOM 680 C LEU A 45 -8.749 -9.316 -12.623 1.00 1.54 C ATOM 681 O LEU A 45 -9.159 -10.184 -11.853 1.00 2.21 O ATOM 682 CB LEU A 45 -8.717 -7.211 -11.130 1.00 1.58 C ATOM 683 CG LEU A 45 -9.168 -5.736 -11.008 1.00 1.43 C ATOM 684 CD1 LEU A 45 -10.443 -5.580 -10.173 1.00 1.59 C ATOM 685 CD2 LEU A 45 -8.083 -4.868 -10.368 1.00 2.29 C ATOM 0 H LEU A 45 -11.036 -8.596 -11.660 1.00 1.32 H new ATOM 0 HA LEU A 45 -8.870 -7.238 -13.219 1.00 1.44 H new ATOM 0 HB2 LEU A 45 -9.070 -7.770 -10.264 1.00 1.58 H new ATOM 0 HB3 LEU A 45 -7.628 -7.259 -11.118 1.00 1.58 H new ATOM 0 HG LEU A 45 -9.363 -5.408 -12.029 1.00 1.43 H new ATOM 0 HD11 LEU A 45 -10.716 -4.526 -10.119 1.00 1.59 H new ATOM 0 HD12 LEU A 45 -11.253 -6.141 -10.638 1.00 1.59 H new ATOM 0 HD13 LEU A 45 -10.268 -5.962 -9.167 1.00 1.59 H new ATOM 0 HD21 LEU A 45 -8.435 -3.839 -10.298 1.00 2.29 H new ATOM 0 HD22 LEU A 45 -7.859 -5.243 -9.369 1.00 2.29 H new ATOM 0 HD23 LEU A 45 -7.181 -4.903 -10.980 1.00 2.29 H new ATOM 697 N PRO A 46 -7.986 -9.600 -13.698 1.00 1.24 N ATOM 698 CA PRO A 46 -7.864 -10.937 -14.285 1.00 1.51 C ATOM 699 C PRO A 46 -7.014 -11.928 -13.479 1.00 1.74 C ATOM 700 O PRO A 46 -6.649 -11.683 -12.335 1.00 1.81 O ATOM 701 CB PRO A 46 -7.319 -10.709 -15.704 1.00 1.79 C ATOM 702 CG PRO A 46 -6.578 -9.381 -15.603 1.00 1.75 C ATOM 703 CD PRO A 46 -7.433 -8.606 -14.605 1.00 1.41 C ATOM 0 HA PRO A 46 -8.838 -11.427 -14.288 1.00 1.51 H new ATOM 0 HB2 PRO A 46 -6.653 -11.516 -16.011 1.00 1.79 H new ATOM 0 HB3 PRO A 46 -8.123 -10.663 -16.438 1.00 1.79 H new ATOM 0 HG2 PRO A 46 -5.556 -9.512 -15.247 1.00 1.75 H new ATOM 0 HG3 PRO A 46 -6.518 -8.875 -16.566 1.00 1.75 H new ATOM 0 HD2 PRO A 46 -6.834 -7.873 -14.064 1.00 1.41 H new ATOM 0 HD3 PRO A 46 -8.226 -8.057 -15.113 1.00 1.41 H new ATOM 711 N GLU A 47 -6.715 -13.081 -14.087 1.00 2.41 N ATOM 712 CA GLU A 47 -6.048 -14.206 -13.449 1.00 3.14 C ATOM 713 C GLU A 47 -4.682 -13.862 -12.842 1.00 3.01 C ATOM 714 O GLU A 47 -4.302 -14.457 -11.835 1.00 3.91 O ATOM 715 CB GLU A 47 -5.969 -15.379 -14.440 1.00 3.89 C ATOM 716 CG GLU A 47 -5.234 -15.055 -15.752 1.00 3.85 C ATOM 717 CD GLU A 47 -5.296 -16.245 -16.703 1.00 4.93 C ATOM 718 OE1 GLU A 47 -5.936 -16.097 -17.768 1.00 5.67 O ATOM 719 OE2 GLU A 47 -4.748 -17.305 -16.336 1.00 5.49 O ATOM 0 H GLU A 47 -6.940 -13.256 -15.066 1.00 2.41 H new ATOM 0 HA GLU A 47 -6.652 -14.499 -12.590 1.00 3.14 H new ATOM 0 HB2 GLU A 47 -5.467 -16.216 -13.954 1.00 3.89 H new ATOM 0 HB3 GLU A 47 -6.981 -15.708 -14.676 1.00 3.89 H new ATOM 0 HG2 GLU A 47 -5.685 -14.181 -16.223 1.00 3.85 H new ATOM 0 HG3 GLU A 47 -4.195 -14.803 -15.542 1.00 3.85 H new ATOM 726 N GLY A 48 -3.926 -12.930 -13.433 1.00 2.40 N ATOM 727 CA GLY A 48 -2.597 -12.602 -12.934 1.00 2.69 C ATOM 728 C GLY A 48 -1.993 -11.390 -13.635 1.00 1.60 C ATOM 729 O GLY A 48 -2.357 -11.093 -14.771 1.00 2.58 O ATOM 0 H GLY A 48 -4.214 -12.395 -14.252 1.00 2.40 H new ATOM 0 HA2 GLY A 48 -2.652 -12.408 -11.863 1.00 2.69 H new ATOM 0 HA3 GLY A 48 -1.940 -13.461 -13.069 1.00 2.69 H new ATOM 733 N GLY A 49 -1.075 -10.701 -12.951 1.00 1.45 N ATOM 734 CA GLY A 49 -0.277 -9.592 -13.466 1.00 1.54 C ATOM 735 C GLY A 49 -0.391 -8.340 -12.596 1.00 1.81 C ATOM 736 O GLY A 49 -1.422 -8.109 -11.978 1.00 3.49 O ATOM 0 H GLY A 49 -0.860 -10.914 -11.977 1.00 1.45 H new ATOM 0 HA2 GLY A 49 0.768 -9.896 -13.525 1.00 1.54 H new ATOM 0 HA3 GLY A 49 -0.598 -9.357 -14.481 1.00 1.54 H new ATOM 740 N ARG A 50 0.659 -7.513 -12.554 1.00 0.70 N ATOM 741 CA ARG A 50 0.740 -6.352 -11.673 1.00 0.90 C ATOM 742 C ARG A 50 -0.138 -5.232 -12.236 1.00 0.75 C ATOM 743 O ARG A 50 -0.109 -4.974 -13.439 1.00 1.11 O ATOM 744 CB ARG A 50 2.194 -5.870 -11.587 1.00 1.31 C ATOM 745 CG ARG A 50 3.152 -6.873 -10.916 1.00 2.73 C ATOM 746 CD ARG A 50 3.874 -7.827 -11.884 1.00 3.03 C ATOM 747 NE ARG A 50 3.206 -9.135 -12.034 1.00 3.99 N ATOM 748 CZ ARG A 50 3.650 -10.138 -12.809 1.00 4.81 C ATOM 749 NH1 ARG A 50 4.711 -9.960 -13.602 1.00 5.12 N ATOM 750 NH2 ARG A 50 3.022 -11.314 -12.776 1.00 5.96 N ATOM 0 H ARG A 50 1.485 -7.636 -13.140 1.00 0.70 H new ATOM 0 HA ARG A 50 0.393 -6.625 -10.676 1.00 0.90 H new ATOM 0 HB2 ARG A 50 2.555 -5.657 -12.593 1.00 1.31 H new ATOM 0 HB3 ARG A 50 2.222 -4.932 -11.033 1.00 1.31 H new ATOM 0 HG2 ARG A 50 3.900 -6.316 -10.352 1.00 2.73 H new ATOM 0 HG3 ARG A 50 2.588 -7.467 -10.197 1.00 2.73 H new ATOM 0 HD2 ARG A 50 3.947 -7.352 -12.862 1.00 3.03 H new ATOM 0 HD3 ARG A 50 4.893 -7.987 -11.531 1.00 3.03 H new ATOM 0 HE ARG A 50 2.344 -9.288 -11.511 1.00 3.99 H new ATOM 0 HH11 ARG A 50 5.188 -9.059 -13.621 1.00 5.12 H new ATOM 0 HH12 ARG A 50 5.044 -10.725 -14.188 1.00 5.12 H new ATOM 0 HH21 ARG A 50 2.214 -11.444 -12.167 1.00 5.96 H new ATOM 0 HH22 ARG A 50 3.349 -12.084 -13.360 1.00 5.96 H new ATOM 764 N ALA A 51 -0.888 -4.541 -11.369 1.00 0.85 N ATOM 765 CA ALA A 51 -1.722 -3.429 -11.798 1.00 0.86 C ATOM 766 C ALA A 51 -0.862 -2.195 -12.058 1.00 0.69 C ATOM 767 O ALA A 51 0.341 -2.195 -11.821 1.00 0.99 O ATOM 768 CB ALA A 51 -2.771 -3.095 -10.732 1.00 1.33 C ATOM 0 H ALA A 51 -0.929 -4.738 -10.369 1.00 0.85 H new ATOM 0 HA ALA A 51 -2.229 -3.723 -12.717 1.00 0.86 H new ATOM 0 HB1 ALA A 51 -3.384 -2.261 -11.073 1.00 1.33 H new ATOM 0 HB2 ALA A 51 -3.405 -3.965 -10.561 1.00 1.33 H new ATOM 0 HB3 ALA A 51 -2.271 -2.822 -9.803 1.00 1.33 H new ATOM 774 N THR A 52 -1.507 -1.143 -12.555 1.00 0.75 N ATOM 775 CA THR A 52 -0.895 0.080 -13.033 1.00 0.97 C ATOM 776 C THR A 52 -1.379 1.228 -12.147 1.00 1.23 C ATOM 777 O THR A 52 -2.579 1.478 -12.100 1.00 1.50 O ATOM 778 CB THR A 52 -1.292 0.268 -14.515 1.00 1.35 C ATOM 779 OG1 THR A 52 -1.174 1.618 -14.908 1.00 1.61 O ATOM 780 CG2 THR A 52 -2.712 -0.225 -14.852 1.00 1.65 C ATOM 0 H THR A 52 -2.524 -1.126 -12.637 1.00 0.75 H new ATOM 0 HA THR A 52 0.193 0.049 -12.979 1.00 0.97 H new ATOM 0 HB THR A 52 -0.591 -0.353 -15.072 1.00 1.35 H new ATOM 0 HG1 THR A 52 -1.430 1.708 -15.850 1.00 1.61 H new ATOM 0 HG21 THR A 52 -2.914 -0.058 -15.910 1.00 1.65 H new ATOM 0 HG22 THR A 52 -2.789 -1.290 -14.632 1.00 1.65 H new ATOM 0 HG23 THR A 52 -3.439 0.323 -14.253 1.00 1.65 H new ATOM 788 N TYR A 53 -0.479 1.916 -11.439 1.00 1.79 N ATOM 789 CA TYR A 53 -0.762 3.229 -10.856 1.00 2.52 C ATOM 790 C TYR A 53 0.508 4.029 -10.563 1.00 2.26 C ATOM 791 O TYR A 53 1.614 3.531 -10.740 1.00 2.80 O ATOM 792 CB TYR A 53 -1.663 3.121 -9.621 1.00 3.05 C ATOM 793 CG TYR A 53 -1.175 2.263 -8.478 1.00 2.73 C ATOM 794 CD1 TYR A 53 -1.769 1.008 -8.265 1.00 2.61 C ATOM 795 CD2 TYR A 53 -0.262 2.772 -7.537 1.00 3.95 C ATOM 796 CE1 TYR A 53 -1.408 0.240 -7.151 1.00 3.03 C ATOM 797 CE2 TYR A 53 0.111 1.992 -6.432 1.00 4.72 C ATOM 798 CZ TYR A 53 -0.432 0.707 -6.253 1.00 4.08 C ATOM 799 OH TYR A 53 0.216 -0.188 -5.451 1.00 5.31 O ATOM 0 H TYR A 53 0.466 1.578 -11.254 1.00 1.79 H new ATOM 0 HA TYR A 53 -1.312 3.789 -11.612 1.00 2.52 H new ATOM 0 HB2 TYR A 53 -1.832 4.128 -9.238 1.00 3.05 H new ATOM 0 HB3 TYR A 53 -2.631 2.735 -9.942 1.00 3.05 H new ATOM 0 HD1 TYR A 53 -2.505 0.635 -8.961 1.00 2.61 H new ATOM 0 HD2 TYR A 53 0.151 3.762 -7.665 1.00 3.95 H new ATOM 0 HE1 TYR A 53 -1.882 -0.716 -6.981 1.00 3.03 H new ATOM 0 HE2 TYR A 53 0.819 2.380 -5.715 1.00 4.72 H new ATOM 0 HH TYR A 53 1.172 0.028 -5.426 1.00 5.31 H new ATOM 809 N ARG A 54 0.347 5.264 -10.087 1.00 1.72 N ATOM 810 CA ARG A 54 1.361 6.043 -9.393 1.00 1.33 C ATOM 811 C ARG A 54 0.652 6.684 -8.202 1.00 1.06 C ATOM 812 O ARG A 54 -0.458 7.173 -8.391 1.00 1.13 O ATOM 813 CB ARG A 54 1.889 7.131 -10.336 1.00 1.87 C ATOM 814 CG ARG A 54 2.574 6.492 -11.552 1.00 1.93 C ATOM 815 CD ARG A 54 3.253 7.535 -12.443 1.00 2.36 C ATOM 816 NE ARG A 54 3.885 6.880 -13.600 1.00 3.00 N ATOM 817 CZ ARG A 54 4.560 7.511 -14.575 1.00 3.79 C ATOM 818 NH1 ARG A 54 4.684 8.842 -14.542 1.00 4.00 N ATOM 819 NH2 ARG A 54 5.108 6.807 -15.572 1.00 4.93 N ATOM 0 H ARG A 54 -0.535 5.767 -10.181 1.00 1.72 H new ATOM 0 HA ARG A 54 2.203 5.431 -9.071 1.00 1.33 H new ATOM 0 HB2 ARG A 54 1.067 7.767 -10.665 1.00 1.87 H new ATOM 0 HB3 ARG A 54 2.595 7.770 -9.806 1.00 1.87 H new ATOM 0 HG2 ARG A 54 3.315 5.769 -11.212 1.00 1.93 H new ATOM 0 HG3 ARG A 54 1.836 5.942 -12.136 1.00 1.93 H new ATOM 0 HD2 ARG A 54 2.519 8.265 -12.785 1.00 2.36 H new ATOM 0 HD3 ARG A 54 4.003 8.081 -11.870 1.00 2.36 H new ATOM 0 HE ARG A 54 3.804 5.865 -13.667 1.00 3.00 H new ATOM 0 HH11 ARG A 54 4.267 9.374 -13.778 1.00 4.00 H new ATOM 0 HH12 ARG A 54 5.196 9.325 -15.280 1.00 4.00 H new ATOM 0 HH21 ARG A 54 5.013 5.792 -15.592 1.00 4.93 H new ATOM 0 HH22 ARG A 54 5.621 7.286 -16.313 1.00 4.93 H new ATOM 833 N GLY A 55 1.219 6.675 -6.989 1.00 0.92 N ATOM 834 CA GLY A 55 0.524 7.270 -5.852 1.00 0.81 C ATOM 835 C GLY A 55 1.424 8.025 -4.894 1.00 0.84 C ATOM 836 O GLY A 55 2.646 7.913 -4.953 1.00 0.89 O ATOM 0 H GLY A 55 2.132 6.273 -6.777 1.00 0.92 H new ATOM 0 HA2 GLY A 55 -0.241 7.950 -6.225 1.00 0.81 H new ATOM 0 HA3 GLY A 55 0.009 6.481 -5.303 1.00 0.81 H new ATOM 840 N THR A 56 0.798 8.813 -4.020 1.00 0.97 N ATOM 841 CA THR A 56 1.446 9.717 -3.086 1.00 1.22 C ATOM 842 C THR A 56 1.154 9.216 -1.676 1.00 1.10 C ATOM 843 O THR A 56 0.000 9.274 -1.246 1.00 1.23 O ATOM 844 CB THR A 56 0.869 11.125 -3.288 1.00 1.42 C ATOM 845 OG1 THR A 56 -0.543 11.067 -3.247 1.00 2.47 O ATOM 846 CG2 THR A 56 1.296 11.715 -4.634 1.00 2.06 C ATOM 0 H THR A 56 -0.219 8.835 -3.945 1.00 0.97 H new ATOM 0 HA THR A 56 2.524 9.753 -3.246 1.00 1.22 H new ATOM 0 HB THR A 56 1.251 11.761 -2.490 1.00 1.42 H new ATOM 0 HG1 THR A 56 -0.824 10.435 -2.553 1.00 2.47 H new ATOM 0 HG21 THR A 56 0.871 12.712 -4.746 1.00 2.06 H new ATOM 0 HG22 THR A 56 2.383 11.778 -4.675 1.00 2.06 H new ATOM 0 HG23 THR A 56 0.939 11.076 -5.441 1.00 2.06 H new ATOM 854 N ALA A 57 2.178 8.718 -0.980 1.00 1.02 N ATOM 855 CA ALA A 57 2.081 8.177 0.363 1.00 0.90 C ATOM 856 C ALA A 57 2.944 9.012 1.301 1.00 0.85 C ATOM 857 O ALA A 57 3.955 8.548 1.825 1.00 1.01 O ATOM 858 CB ALA A 57 2.484 6.704 0.335 1.00 1.07 C ATOM 0 H ALA A 57 3.126 8.682 -1.355 1.00 1.02 H new ATOM 0 HA ALA A 57 1.058 8.227 0.737 1.00 0.90 H new ATOM 0 HB1 ALA A 57 2.414 6.289 1.340 1.00 1.07 H new ATOM 0 HB2 ALA A 57 1.817 6.157 -0.331 1.00 1.07 H new ATOM 0 HB3 ALA A 57 3.509 6.614 -0.024 1.00 1.07 H new ATOM 864 N PHE A 58 2.494 10.247 1.511 1.00 1.04 N ATOM 865 CA PHE A 58 3.049 11.205 2.460 1.00 1.12 C ATOM 866 C PHE A 58 2.560 10.854 3.861 1.00 0.86 C ATOM 867 O PHE A 58 1.417 10.436 4.044 1.00 0.75 O ATOM 868 CB PHE A 58 2.703 12.649 2.054 1.00 1.56 C ATOM 869 CG PHE A 58 1.441 12.854 1.233 1.00 1.82 C ATOM 870 CD1 PHE A 58 1.511 13.566 0.021 1.00 3.42 C ATOM 871 CD2 PHE A 58 0.199 12.363 1.677 1.00 1.80 C ATOM 872 CE1 PHE A 58 0.362 13.725 -0.771 1.00 4.34 C ATOM 873 CE2 PHE A 58 -0.937 12.478 0.862 1.00 2.54 C ATOM 874 CZ PHE A 58 -0.855 13.147 -0.371 1.00 3.69 C ATOM 0 H PHE A 58 1.695 10.623 1.000 1.00 1.04 H new ATOM 0 HA PHE A 58 4.137 11.145 2.455 1.00 1.12 H new ATOM 0 HB2 PHE A 58 2.616 13.244 2.963 1.00 1.56 H new ATOM 0 HB3 PHE A 58 3.543 13.052 1.489 1.00 1.56 H new ATOM 0 HD1 PHE A 58 2.450 13.991 -0.301 1.00 3.42 H new ATOM 0 HD2 PHE A 58 0.120 11.896 2.648 1.00 1.80 H new ATOM 0 HE1 PHE A 58 0.414 14.292 -1.689 1.00 4.34 H new ATOM 0 HE2 PHE A 58 -1.876 12.052 1.183 1.00 2.54 H new ATOM 0 HZ PHE A 58 -1.724 13.217 -1.009 1.00 3.69 H new ATOM 884 N GLY A 59 3.437 11.002 4.852 1.00 1.02 N ATOM 885 CA GLY A 59 3.069 10.798 6.241 1.00 1.02 C ATOM 886 C GLY A 59 2.304 12.020 6.735 1.00 0.99 C ATOM 887 O GLY A 59 2.295 13.051 6.068 1.00 1.10 O ATOM 0 H GLY A 59 4.413 11.264 4.711 1.00 1.02 H new ATOM 0 HA2 GLY A 59 2.454 9.903 6.340 1.00 1.02 H new ATOM 0 HA3 GLY A 59 3.961 10.641 6.848 1.00 1.02 H new ATOM 891 N SER A 60 1.704 11.930 7.923 1.00 1.03 N ATOM 892 CA SER A 60 1.125 13.072 8.627 1.00 1.13 C ATOM 893 C SER A 60 2.086 14.274 8.609 1.00 1.14 C ATOM 894 O SER A 60 1.671 15.413 8.417 1.00 1.28 O ATOM 895 CB SER A 60 0.792 12.647 10.065 1.00 1.26 C ATOM 896 OG SER A 60 -0.050 13.594 10.691 1.00 1.64 O ATOM 0 H SER A 60 1.606 11.050 8.429 1.00 1.03 H new ATOM 0 HA SER A 60 0.211 13.387 8.124 1.00 1.13 H new ATOM 0 HB2 SER A 60 0.305 11.672 10.056 1.00 1.26 H new ATOM 0 HB3 SER A 60 1.713 12.538 10.638 1.00 1.26 H new ATOM 0 HG SER A 60 -0.249 13.301 11.605 1.00 1.64 H new ATOM 902 N ASP A 61 3.383 13.994 8.780 1.00 1.15 N ATOM 903 CA ASP A 61 4.454 14.983 8.818 1.00 1.31 C ATOM 904 C ASP A 61 4.862 15.493 7.417 1.00 1.16 C ATOM 905 O ASP A 61 5.809 16.263 7.293 1.00 1.23 O ATOM 906 CB ASP A 61 5.633 14.309 9.537 1.00 1.48 C ATOM 907 CG ASP A 61 6.754 15.271 9.907 1.00 1.81 C ATOM 908 OD1 ASP A 61 6.438 16.274 10.583 1.00 2.32 O ATOM 909 OD2 ASP A 61 7.913 14.941 9.576 1.00 2.82 O ATOM 0 H ASP A 61 3.722 13.039 8.899 1.00 1.15 H new ATOM 0 HA ASP A 61 4.117 15.876 9.345 1.00 1.31 H new ATOM 0 HB2 ASP A 61 5.267 13.826 10.443 1.00 1.48 H new ATOM 0 HB3 ASP A 61 6.036 13.524 8.898 1.00 1.48 H new ATOM 914 N ASP A 62 4.192 15.029 6.351 1.00 1.02 N ATOM 915 CA ASP A 62 4.654 15.099 4.968 1.00 0.99 C ATOM 916 C ASP A 62 6.090 14.597 4.867 1.00 0.98 C ATOM 917 O ASP A 62 7.000 15.236 4.342 1.00 1.33 O ATOM 918 CB ASP A 62 4.401 16.452 4.296 1.00 1.60 C ATOM 919 CG ASP A 62 4.636 16.368 2.789 1.00 2.17 C ATOM 920 OD1 ASP A 62 4.879 17.437 2.190 1.00 3.66 O ATOM 921 OD2 ASP A 62 4.533 15.241 2.249 1.00 2.26 O ATOM 0 H ASP A 62 3.281 14.579 6.438 1.00 1.02 H new ATOM 0 HA ASP A 62 4.038 14.422 4.376 1.00 0.99 H new ATOM 0 HB2 ASP A 62 3.378 16.773 4.491 1.00 1.60 H new ATOM 0 HB3 ASP A 62 5.059 17.206 4.729 1.00 1.60 H new ATOM 926 N ALA A 63 6.255 13.396 5.414 1.00 0.93 N ATOM 927 CA ALA A 63 7.493 12.650 5.465 1.00 0.99 C ATOM 928 C ALA A 63 7.118 11.226 5.100 1.00 0.89 C ATOM 929 O ALA A 63 6.957 10.363 5.957 1.00 1.22 O ATOM 930 CB ALA A 63 8.107 12.763 6.859 1.00 1.15 C ATOM 0 H ALA A 63 5.483 12.897 5.855 1.00 0.93 H new ATOM 0 HA ALA A 63 8.250 13.027 4.777 1.00 0.99 H new ATOM 0 HB1 ALA A 63 9.039 12.199 6.893 1.00 1.15 H new ATOM 0 HB2 ALA A 63 8.308 13.810 7.084 1.00 1.15 H new ATOM 0 HB3 ALA A 63 7.413 12.360 7.596 1.00 1.15 H new ATOM 936 N GLY A 64 6.873 11.016 3.813 1.00 0.89 N ATOM 937 CA GLY A 64 6.461 9.750 3.248 1.00 0.96 C ATOM 938 C GLY A 64 6.878 9.779 1.771 1.00 0.69 C ATOM 939 O GLY A 64 7.492 10.752 1.333 1.00 0.96 O ATOM 0 H GLY A 64 6.961 11.753 3.114 1.00 0.89 H new ATOM 0 HA2 GLY A 64 6.936 8.919 3.769 1.00 0.96 H new ATOM 0 HA3 GLY A 64 5.384 9.613 3.345 1.00 0.96 H new ATOM 943 N GLY A 65 6.639 8.698 1.030 1.00 0.80 N ATOM 944 CA GLY A 65 7.208 8.417 -0.278 1.00 0.98 C ATOM 945 C GLY A 65 6.106 8.273 -1.327 1.00 0.80 C ATOM 946 O GLY A 65 4.924 8.448 -1.040 1.00 0.74 O ATOM 0 H GLY A 65 6.010 7.960 1.346 1.00 0.80 H new ATOM 0 HA2 GLY A 65 7.887 9.220 -0.565 1.00 0.98 H new ATOM 0 HA3 GLY A 65 7.797 7.501 -0.235 1.00 0.98 H new ATOM 950 N LYS A 66 6.492 7.988 -2.570 1.00 0.99 N ATOM 951 CA LYS A 66 5.540 7.691 -3.632 1.00 0.93 C ATOM 952 C LYS A 66 5.179 6.205 -3.540 1.00 0.87 C ATOM 953 O LYS A 66 6.079 5.377 -3.411 1.00 1.24 O ATOM 954 CB LYS A 66 6.131 8.021 -5.012 1.00 1.27 C ATOM 955 CG LYS A 66 6.929 9.339 -5.043 1.00 1.29 C ATOM 956 CD LYS A 66 8.354 9.148 -5.601 1.00 1.54 C ATOM 957 CE LYS A 66 9.185 8.166 -4.756 1.00 1.99 C ATOM 958 NZ LYS A 66 10.629 8.187 -5.068 1.00 3.41 N ATOM 0 H LYS A 66 7.468 7.957 -2.865 1.00 0.99 H new ATOM 0 HA LYS A 66 4.647 8.305 -3.511 1.00 0.93 H new ATOM 0 HB2 LYS A 66 6.782 7.204 -5.324 1.00 1.27 H new ATOM 0 HB3 LYS A 66 5.322 8.079 -5.740 1.00 1.27 H new ATOM 0 HG2 LYS A 66 6.397 10.069 -5.653 1.00 1.29 H new ATOM 0 HG3 LYS A 66 6.988 9.749 -4.035 1.00 1.29 H new ATOM 0 HD2 LYS A 66 8.294 8.782 -6.626 1.00 1.54 H new ATOM 0 HD3 LYS A 66 8.860 10.113 -5.636 1.00 1.54 H new ATOM 0 HE2 LYS A 66 9.047 8.402 -3.701 1.00 1.99 H new ATOM 0 HE3 LYS A 66 8.804 7.156 -4.909 1.00 1.99 H new ATOM 0 HZ1 LYS A 66 11.132 7.540 -4.428 1.00 3.41 H new ATOM 0 HZ2 LYS A 66 10.776 7.884 -6.052 1.00 3.41 H new ATOM 0 HZ3 LYS A 66 10.997 9.152 -4.944 1.00 3.41 H new ATOM 972 N LEU A 67 3.893 5.858 -3.606 1.00 0.71 N ATOM 973 CA LEU A 67 3.450 4.472 -3.608 1.00 0.70 C ATOM 974 C LEU A 67 3.614 3.902 -5.017 1.00 0.70 C ATOM 975 O LEU A 67 3.083 4.463 -5.979 1.00 0.96 O ATOM 976 CB LEU A 67 1.986 4.372 -3.156 1.00 0.74 C ATOM 977 CG LEU A 67 1.544 2.916 -2.918 1.00 0.82 C ATOM 978 CD1 LEU A 67 2.112 2.358 -1.607 1.00 0.94 C ATOM 979 CD2 LEU A 67 0.017 2.832 -2.869 1.00 0.98 C ATOM 0 H LEU A 67 3.132 6.535 -3.660 1.00 0.71 H new ATOM 0 HA LEU A 67 4.056 3.897 -2.908 1.00 0.70 H new ATOM 0 HB2 LEU A 67 1.852 4.944 -2.238 1.00 0.74 H new ATOM 0 HB3 LEU A 67 1.344 4.825 -3.911 1.00 0.74 H new ATOM 0 HG LEU A 67 1.929 2.321 -3.746 1.00 0.82 H new ATOM 0 HD11 LEU A 67 1.778 1.329 -1.475 1.00 0.94 H new ATOM 0 HD12 LEU A 67 3.201 2.384 -1.642 1.00 0.94 H new ATOM 0 HD13 LEU A 67 1.761 2.964 -0.771 1.00 0.94 H new ATOM 0 HD21 LEU A 67 -0.285 1.798 -2.700 1.00 0.98 H new ATOM 0 HD22 LEU A 67 -0.356 3.456 -2.057 1.00 0.98 H new ATOM 0 HD23 LEU A 67 -0.397 3.181 -3.815 1.00 0.98 H new ATOM 991 N THR A 68 4.339 2.787 -5.131 1.00 0.67 N ATOM 992 CA THR A 68 4.566 2.085 -6.378 1.00 0.76 C ATOM 993 C THR A 68 3.450 1.066 -6.665 1.00 0.96 C ATOM 994 O THR A 68 2.829 0.510 -5.758 1.00 1.29 O ATOM 995 CB THR A 68 5.963 1.441 -6.316 1.00 0.94 C ATOM 996 OG1 THR A 68 6.250 0.998 -5.001 1.00 2.12 O ATOM 997 CG2 THR A 68 7.036 2.461 -6.713 1.00 1.32 C ATOM 0 H THR A 68 4.793 2.343 -4.333 1.00 0.67 H new ATOM 0 HA THR A 68 4.536 2.783 -7.214 1.00 0.76 H new ATOM 0 HB THR A 68 5.968 0.596 -7.005 1.00 0.94 H new ATOM 0 HG1 THR A 68 6.734 1.700 -4.518 1.00 2.12 H new ATOM 0 HG21 THR A 68 8.019 1.992 -6.665 1.00 1.32 H new ATOM 0 HG22 THR A 68 6.849 2.809 -7.729 1.00 1.32 H new ATOM 0 HG23 THR A 68 7.004 3.308 -6.028 1.00 1.32 H new ATOM 1005 N TYR A 69 3.201 0.833 -7.954 1.00 0.84 N ATOM 1006 CA TYR A 69 2.192 -0.061 -8.478 1.00 0.82 C ATOM 1007 C TYR A 69 2.592 -1.525 -8.361 1.00 0.86 C ATOM 1008 O TYR A 69 3.327 -2.048 -9.195 1.00 0.99 O ATOM 1009 CB TYR A 69 1.893 0.356 -9.918 1.00 0.70 C ATOM 1010 CG TYR A 69 3.056 0.402 -10.909 1.00 0.65 C ATOM 1011 CD1 TYR A 69 3.265 -0.666 -11.803 1.00 1.75 C ATOM 1012 CD2 TYR A 69 3.873 1.547 -11.010 1.00 1.91 C ATOM 1013 CE1 TYR A 69 4.264 -0.589 -12.788 1.00 1.79 C ATOM 1014 CE2 TYR A 69 4.874 1.623 -11.992 1.00 2.04 C ATOM 1015 CZ TYR A 69 5.065 0.559 -12.887 1.00 1.03 C ATOM 1016 OH TYR A 69 6.023 0.654 -13.852 1.00 1.36 O ATOM 0 H TYR A 69 3.732 1.293 -8.693 1.00 0.84 H new ATOM 0 HA TYR A 69 1.284 0.023 -7.881 1.00 0.82 H new ATOM 0 HB2 TYR A 69 1.143 -0.329 -10.315 1.00 0.70 H new ATOM 0 HB3 TYR A 69 1.438 1.346 -9.891 1.00 0.70 H new ATOM 0 HD1 TYR A 69 2.652 -1.552 -11.731 1.00 1.75 H new ATOM 0 HD2 TYR A 69 3.728 2.371 -10.327 1.00 1.91 H new ATOM 0 HE1 TYR A 69 4.415 -1.413 -13.469 1.00 1.79 H new ATOM 0 HE2 TYR A 69 5.498 2.502 -12.059 1.00 2.04 H new ATOM 0 HH TYR A 69 6.481 1.517 -13.774 1.00 1.36 H new ATOM 1026 N THR A 70 2.068 -2.190 -7.326 1.00 0.90 N ATOM 1027 CA THR A 70 2.358 -3.593 -7.091 1.00 0.99 C ATOM 1028 C THR A 70 1.145 -4.293 -6.467 1.00 1.06 C ATOM 1029 O THR A 70 1.066 -4.493 -5.251 1.00 1.09 O ATOM 1030 CB THR A 70 3.602 -3.722 -6.201 1.00 1.14 C ATOM 1031 OG1 THR A 70 4.645 -2.868 -6.628 1.00 1.43 O ATOM 1032 CG2 THR A 70 4.133 -5.158 -6.155 1.00 1.08 C ATOM 0 H THR A 70 1.440 -1.770 -6.640 1.00 0.90 H new ATOM 0 HA THR A 70 2.566 -4.084 -8.042 1.00 0.99 H new ATOM 0 HB THR A 70 3.281 -3.429 -5.201 1.00 1.14 H new ATOM 0 HG1 THR A 70 5.419 -2.976 -6.037 1.00 1.43 H new ATOM 0 HG21 THR A 70 5.013 -5.200 -5.513 1.00 1.08 H new ATOM 0 HG22 THR A 70 3.362 -5.818 -5.757 1.00 1.08 H new ATOM 0 HG23 THR A 70 4.402 -5.479 -7.161 1.00 1.08 H new ATOM 1040 N ILE A 71 0.195 -4.682 -7.320 1.00 1.12 N ATOM 1041 CA ILE A 71 -0.897 -5.582 -6.972 1.00 1.21 C ATOM 1042 C ILE A 71 -0.955 -6.595 -8.109 1.00 1.19 C ATOM 1043 O ILE A 71 -1.403 -6.244 -9.198 1.00 1.58 O ATOM 1044 CB ILE A 71 -2.228 -4.823 -6.677 1.00 1.27 C ATOM 1045 CG1 ILE A 71 -3.414 -5.117 -7.616 1.00 1.38 C ATOM 1046 CG2 ILE A 71 -2.056 -3.294 -6.631 1.00 1.41 C ATOM 1047 CD1 ILE A 71 -4.672 -4.305 -7.292 1.00 2.23 C ATOM 0 H ILE A 71 0.166 -4.371 -8.291 1.00 1.12 H new ATOM 0 HA ILE A 71 -0.729 -6.102 -6.029 1.00 1.21 H new ATOM 0 HB ILE A 71 -2.477 -5.227 -5.696 1.00 1.27 H new ATOM 0 HG12 ILE A 71 -3.113 -4.910 -8.643 1.00 1.38 H new ATOM 0 HG13 ILE A 71 -3.654 -6.179 -7.562 1.00 1.38 H new ATOM 0 HG21 ILE A 71 -3.018 -2.826 -6.422 1.00 1.41 H new ATOM 0 HG22 ILE A 71 -1.346 -3.031 -5.847 1.00 1.41 H new ATOM 0 HG23 ILE A 71 -1.682 -2.941 -7.592 1.00 1.41 H new ATOM 0 HD11 ILE A 71 -5.464 -4.565 -7.994 1.00 2.23 H new ATOM 0 HD12 ILE A 71 -4.999 -4.530 -6.277 1.00 2.23 H new ATOM 0 HD13 ILE A 71 -4.450 -3.241 -7.374 1.00 2.23 H new ATOM 1059 N ASP A 72 -0.432 -7.809 -7.915 1.00 0.86 N ATOM 1060 CA ASP A 72 -0.588 -8.841 -8.919 1.00 0.85 C ATOM 1061 C ASP A 72 -1.978 -9.435 -8.791 1.00 0.68 C ATOM 1062 O ASP A 72 -2.335 -9.934 -7.720 1.00 0.82 O ATOM 1063 CB ASP A 72 0.488 -9.922 -8.871 1.00 1.09 C ATOM 1064 CG ASP A 72 0.375 -10.760 -10.129 1.00 2.27 C ATOM 1065 OD1 ASP A 72 -0.675 -11.415 -10.319 1.00 3.26 O ATOM 1066 OD2 ASP A 72 1.300 -10.646 -10.961 1.00 3.35 O ATOM 0 H ASP A 72 0.092 -8.089 -7.086 1.00 0.86 H new ATOM 0 HA ASP A 72 -0.463 -8.373 -9.896 1.00 0.85 H new ATOM 0 HB2 ASP A 72 1.478 -9.470 -8.803 1.00 1.09 H new ATOM 0 HB3 ASP A 72 0.361 -10.546 -7.986 1.00 1.09 H new ATOM 1071 N PHE A 73 -2.757 -9.370 -9.868 1.00 0.68 N ATOM 1072 CA PHE A 73 -4.120 -9.855 -9.917 1.00 0.78 C ATOM 1073 C PHE A 73 -4.283 -11.276 -9.365 1.00 0.99 C ATOM 1074 O PHE A 73 -5.363 -11.598 -8.876 1.00 1.28 O ATOM 1075 CB PHE A 73 -4.726 -9.699 -11.314 1.00 0.94 C ATOM 1076 CG PHE A 73 -4.504 -8.371 -12.019 1.00 1.18 C ATOM 1077 CD1 PHE A 73 -4.847 -7.157 -11.395 1.00 1.80 C ATOM 1078 CD2 PHE A 73 -4.029 -8.354 -13.343 1.00 2.57 C ATOM 1079 CE1 PHE A 73 -4.734 -5.946 -12.099 1.00 2.02 C ATOM 1080 CE2 PHE A 73 -3.881 -7.141 -14.034 1.00 2.79 C ATOM 1081 CZ PHE A 73 -4.245 -5.935 -13.415 1.00 1.83 C ATOM 0 H PHE A 73 -2.442 -8.967 -10.750 1.00 0.68 H new ATOM 0 HA PHE A 73 -4.692 -9.218 -9.242 1.00 0.78 H new ATOM 0 HB2 PHE A 73 -4.324 -10.490 -11.947 1.00 0.94 H new ATOM 0 HB3 PHE A 73 -5.800 -9.866 -11.238 1.00 0.94 H new ATOM 0 HD1 PHE A 73 -5.198 -7.156 -10.373 1.00 1.80 H new ATOM 0 HD2 PHE A 73 -3.776 -9.283 -13.832 1.00 2.57 H new ATOM 0 HE1 PHE A 73 -5.025 -5.020 -11.626 1.00 2.02 H new ATOM 0 HE2 PHE A 73 -3.488 -7.136 -15.040 1.00 2.79 H new ATOM 0 HZ PHE A 73 -4.149 -5.001 -13.949 1.00 1.83 H new ATOM 1091 N ALA A 74 -3.223 -12.095 -9.369 1.00 1.15 N ATOM 1092 CA ALA A 74 -3.246 -13.432 -8.787 1.00 1.57 C ATOM 1093 C ALA A 74 -3.738 -13.450 -7.333 1.00 1.57 C ATOM 1094 O ALA A 74 -4.316 -14.451 -6.901 1.00 2.03 O ATOM 1095 CB ALA A 74 -1.851 -14.054 -8.896 1.00 1.85 C ATOM 0 H ALA A 74 -2.324 -11.842 -9.779 1.00 1.15 H new ATOM 0 HA ALA A 74 -3.965 -14.024 -9.353 1.00 1.57 H new ATOM 0 HB1 ALA A 74 -1.863 -15.054 -8.462 1.00 1.85 H new ATOM 0 HB2 ALA A 74 -1.562 -14.117 -9.945 1.00 1.85 H new ATOM 0 HB3 ALA A 74 -1.133 -13.434 -8.359 1.00 1.85 H new ATOM 1101 N ALA A 75 -3.474 -12.384 -6.565 1.00 1.24 N ATOM 1102 CA ALA A 75 -3.934 -12.263 -5.174 1.00 1.23 C ATOM 1103 C ALA A 75 -4.116 -10.823 -4.668 1.00 1.04 C ATOM 1104 O ALA A 75 -4.449 -10.639 -3.502 1.00 1.27 O ATOM 1105 CB ALA A 75 -2.962 -13.017 -4.262 1.00 1.54 C ATOM 0 H ALA A 75 -2.936 -11.581 -6.890 1.00 1.24 H new ATOM 0 HA ALA A 75 -4.933 -12.699 -5.148 1.00 1.23 H new ATOM 0 HB1 ALA A 75 -3.295 -12.933 -3.227 1.00 1.54 H new ATOM 0 HB2 ALA A 75 -2.934 -14.068 -4.550 1.00 1.54 H new ATOM 0 HB3 ALA A 75 -1.965 -12.587 -4.358 1.00 1.54 H new ATOM 1111 N LYS A 76 -3.907 -9.798 -5.504 1.00 0.89 N ATOM 1112 CA LYS A 76 -4.146 -8.401 -5.176 1.00 0.94 C ATOM 1113 C LYS A 76 -3.372 -7.931 -3.927 1.00 1.12 C ATOM 1114 O LYS A 76 -3.952 -7.600 -2.899 1.00 1.25 O ATOM 1115 CB LYS A 76 -5.666 -8.194 -5.081 1.00 0.92 C ATOM 1116 CG LYS A 76 -6.281 -7.223 -6.085 1.00 1.57 C ATOM 1117 CD LYS A 76 -6.307 -7.698 -7.545 1.00 2.94 C ATOM 1118 CE LYS A 76 -6.942 -9.081 -7.781 1.00 4.43 C ATOM 1119 NZ LYS A 76 -8.359 -9.149 -7.385 1.00 5.11 N ATOM 0 H LYS A 76 -3.557 -9.930 -6.453 1.00 0.89 H new ATOM 0 HA LYS A 76 -3.751 -7.763 -5.967 1.00 0.94 H new ATOM 0 HB2 LYS A 76 -6.151 -9.163 -5.201 1.00 0.92 H new ATOM 0 HB3 LYS A 76 -5.901 -7.842 -4.077 1.00 0.92 H new ATOM 0 HG2 LYS A 76 -7.303 -7.008 -5.774 1.00 1.57 H new ATOM 0 HG3 LYS A 76 -5.730 -6.284 -6.038 1.00 1.57 H new ATOM 0 HD2 LYS A 76 -6.850 -6.962 -8.139 1.00 2.94 H new ATOM 0 HD3 LYS A 76 -5.284 -7.718 -7.920 1.00 2.94 H new ATOM 0 HE2 LYS A 76 -6.855 -9.337 -8.837 1.00 4.43 H new ATOM 0 HE3 LYS A 76 -6.380 -9.831 -7.224 1.00 4.43 H new ATOM 0 HZ1 LYS A 76 -8.628 -10.141 -7.227 1.00 5.11 H new ATOM 0 HZ2 LYS A 76 -8.501 -8.608 -6.508 1.00 5.11 H new ATOM 0 HZ3 LYS A 76 -8.950 -8.746 -8.140 1.00 5.11 H new ATOM 1133 N GLN A 77 -2.043 -7.872 -4.017 1.00 1.25 N ATOM 1134 CA GLN A 77 -1.216 -7.606 -2.843 1.00 1.34 C ATOM 1135 C GLN A 77 -1.372 -6.145 -2.432 1.00 1.77 C ATOM 1136 O GLN A 77 -1.825 -5.850 -1.335 1.00 3.41 O ATOM 1137 CB GLN A 77 0.259 -7.996 -3.043 1.00 1.83 C ATOM 1138 CG GLN A 77 0.479 -9.452 -3.479 1.00 1.52 C ATOM 1139 CD GLN A 77 0.135 -9.637 -4.949 1.00 2.26 C ATOM 1140 OE1 GLN A 77 0.852 -9.157 -5.819 1.00 4.12 O ATOM 1141 NE2 GLN A 77 -1.027 -10.217 -5.231 1.00 1.58 N ATOM 0 H GLN A 77 -1.521 -8.004 -4.883 1.00 1.25 H new ATOM 0 HA GLN A 77 -1.570 -8.243 -2.032 1.00 1.34 H new ATOM 0 HB2 GLN A 77 0.698 -7.336 -3.791 1.00 1.83 H new ATOM 0 HB3 GLN A 77 0.797 -7.824 -2.111 1.00 1.83 H new ATOM 0 HG2 GLN A 77 1.517 -9.734 -3.306 1.00 1.52 H new ATOM 0 HG3 GLN A 77 -0.137 -10.115 -2.871 1.00 1.52 H new ATOM 0 HE21 GLN A 77 -1.598 -10.606 -4.481 1.00 1.58 H new ATOM 0 HE22 GLN A 77 -1.348 -10.273 -6.198 1.00 1.58 H new ATOM 1150 N GLY A 78 -1.034 -5.225 -3.337 1.00 1.49 N ATOM 1151 CA GLY A 78 -1.298 -3.809 -3.158 1.00 1.64 C ATOM 1152 C GLY A 78 -0.309 -3.198 -2.189 1.00 1.37 C ATOM 1153 O GLY A 78 -0.700 -2.545 -1.227 1.00 1.65 O ATOM 0 H GLY A 78 -0.568 -5.449 -4.216 1.00 1.49 H new ATOM 0 HA2 GLY A 78 -1.236 -3.298 -4.119 1.00 1.64 H new ATOM 0 HA3 GLY A 78 -2.313 -3.667 -2.787 1.00 1.64 H new ATOM 1157 N ASN A 79 0.980 -3.425 -2.454 1.00 0.97 N ATOM 1158 CA ASN A 79 2.047 -3.113 -1.515 1.00 0.86 C ATOM 1159 C ASN A 79 3.209 -2.489 -2.276 1.00 0.93 C ATOM 1160 O ASN A 79 4.101 -3.182 -2.761 1.00 1.72 O ATOM 1161 CB ASN A 79 2.445 -4.376 -0.744 1.00 0.98 C ATOM 1162 CG ASN A 79 1.257 -4.984 -0.003 1.00 1.38 C ATOM 1163 OD1 ASN A 79 0.865 -6.109 -0.287 1.00 2.57 O ATOM 1164 ND2 ASN A 79 0.650 -4.256 0.928 1.00 1.40 N ATOM 0 H ASN A 79 1.308 -3.832 -3.330 1.00 0.97 H new ATOM 0 HA ASN A 79 1.713 -2.387 -0.774 1.00 0.86 H new ATOM 0 HB2 ASN A 79 2.856 -5.110 -1.436 1.00 0.98 H new ATOM 0 HB3 ASN A 79 3.233 -4.134 -0.031 1.00 0.98 H new ATOM 0 HD21 ASN A 79 -0.159 -4.632 1.422 1.00 1.40 H new ATOM 0 HD22 ASN A 79 0.993 -3.321 1.149 1.00 1.40 H new ATOM 1171 N GLY A 80 3.168 -1.163 -2.404 1.00 0.76 N ATOM 1172 CA GLY A 80 4.188 -0.383 -3.074 1.00 0.72 C ATOM 1173 C GLY A 80 5.314 -0.071 -2.098 1.00 0.60 C ATOM 1174 O GLY A 80 5.069 0.255 -0.943 1.00 0.79 O ATOM 0 H GLY A 80 2.405 -0.596 -2.034 1.00 0.76 H new ATOM 0 HA2 GLY A 80 4.577 -0.933 -3.930 1.00 0.72 H new ATOM 0 HA3 GLY A 80 3.759 0.542 -3.458 1.00 0.72 H new ATOM 1178 N LYS A 81 6.553 -0.137 -2.566 1.00 0.59 N ATOM 1179 CA LYS A 81 7.715 0.269 -1.800 1.00 0.66 C ATOM 1180 C LYS A 81 7.804 1.790 -1.876 1.00 0.74 C ATOM 1181 O LYS A 81 7.591 2.356 -2.952 1.00 0.88 O ATOM 1182 CB LYS A 81 8.945 -0.429 -2.383 1.00 0.92 C ATOM 1183 CG LYS A 81 8.849 -1.912 -2.013 1.00 1.95 C ATOM 1184 CD LYS A 81 9.632 -2.843 -2.940 1.00 2.36 C ATOM 1185 CE LYS A 81 9.130 -4.294 -2.816 1.00 4.12 C ATOM 1186 NZ LYS A 81 8.957 -4.744 -1.416 1.00 5.36 N ATOM 0 H LYS A 81 6.778 -0.479 -3.500 1.00 0.59 H new ATOM 0 HA LYS A 81 7.648 -0.016 -0.750 1.00 0.66 H new ATOM 0 HB2 LYS A 81 8.980 -0.305 -3.465 1.00 0.92 H new ATOM 0 HB3 LYS A 81 9.860 0.008 -1.983 1.00 0.92 H new ATOM 0 HG2 LYS A 81 9.211 -2.044 -0.994 1.00 1.95 H new ATOM 0 HG3 LYS A 81 7.800 -2.209 -2.020 1.00 1.95 H new ATOM 0 HD2 LYS A 81 9.530 -2.506 -3.971 1.00 2.36 H new ATOM 0 HD3 LYS A 81 10.693 -2.799 -2.694 1.00 2.36 H new ATOM 0 HE2 LYS A 81 8.178 -4.386 -3.339 1.00 4.12 H new ATOM 0 HE3 LYS A 81 9.834 -4.957 -3.318 1.00 4.12 H new ATOM 0 HZ1 LYS A 81 8.667 -5.743 -1.406 1.00 5.36 H new ATOM 0 HZ2 LYS A 81 9.856 -4.639 -0.904 1.00 5.36 H new ATOM 0 HZ3 LYS A 81 8.226 -4.166 -0.953 1.00 5.36 H new ATOM 1200 N ILE A 82 8.060 2.434 -0.733 1.00 0.80 N ATOM 1201 CA ILE A 82 7.964 3.879 -0.565 1.00 0.94 C ATOM 1202 C ILE A 82 9.364 4.485 -0.406 1.00 0.97 C ATOM 1203 O ILE A 82 9.694 5.143 0.579 1.00 1.63 O ATOM 1204 CB ILE A 82 6.977 4.262 0.571 1.00 1.16 C ATOM 1205 CG1 ILE A 82 6.280 3.087 1.276 1.00 1.57 C ATOM 1206 CG2 ILE A 82 5.902 5.185 -0.002 1.00 2.67 C ATOM 1207 CD1 ILE A 82 5.366 3.590 2.399 1.00 1.81 C ATOM 0 H ILE A 82 8.346 1.950 0.118 1.00 0.80 H new ATOM 0 HA ILE A 82 7.535 4.316 -1.466 1.00 0.94 H new ATOM 0 HB ILE A 82 7.591 4.741 1.334 1.00 1.16 H new ATOM 0 HG12 ILE A 82 5.696 2.518 0.553 1.00 1.57 H new ATOM 0 HG13 ILE A 82 7.028 2.408 1.686 1.00 1.57 H new ATOM 0 HG21 ILE A 82 5.202 5.462 0.786 1.00 2.67 H new ATOM 0 HG22 ILE A 82 6.370 6.084 -0.403 1.00 2.67 H new ATOM 0 HG23 ILE A 82 5.366 4.669 -0.798 1.00 2.67 H new ATOM 0 HD11 ILE A 82 4.884 2.741 2.883 1.00 1.81 H new ATOM 0 HD12 ILE A 82 5.958 4.138 3.132 1.00 1.81 H new ATOM 0 HD13 ILE A 82 4.605 4.250 1.981 1.00 1.81 H new ATOM 1219 N GLU A 83 10.195 4.285 -1.425 1.00 0.78 N ATOM 1220 CA GLU A 83 11.553 4.800 -1.450 1.00 0.77 C ATOM 1221 C GLU A 83 11.535 6.267 -1.882 1.00 1.02 C ATOM 1222 O GLU A 83 11.197 6.574 -3.030 1.00 1.67 O ATOM 1223 CB GLU A 83 12.389 3.949 -2.411 1.00 1.06 C ATOM 1224 CG GLU A 83 13.877 4.285 -2.301 1.00 1.27 C ATOM 1225 CD GLU A 83 14.635 3.705 -3.485 1.00 2.14 C ATOM 1226 OE1 GLU A 83 14.661 4.406 -4.521 1.00 3.42 O ATOM 1227 OE2 GLU A 83 15.127 2.567 -3.348 1.00 2.26 O ATOM 0 H GLU A 83 9.940 3.757 -2.260 1.00 0.78 H new ATOM 0 HA GLU A 83 11.999 4.745 -0.457 1.00 0.77 H new ATOM 0 HB2 GLU A 83 12.236 2.892 -2.192 1.00 1.06 H new ATOM 0 HB3 GLU A 83 12.051 4.114 -3.434 1.00 1.06 H new ATOM 0 HG2 GLU A 83 14.012 5.366 -2.268 1.00 1.27 H new ATOM 0 HG3 GLU A 83 14.280 3.885 -1.371 1.00 1.27 H new ATOM 1234 N HIS A 84 11.897 7.189 -0.984 1.00 0.76 N ATOM 1235 CA HIS A 84 12.146 8.573 -1.389 1.00 0.94 C ATOM 1236 C HIS A 84 13.067 9.396 -0.479 1.00 0.81 C ATOM 1237 O HIS A 84 13.524 10.453 -0.915 1.00 1.20 O ATOM 1238 CB HIS A 84 10.791 9.305 -1.448 1.00 1.75 C ATOM 1239 CG HIS A 84 10.751 10.487 -2.386 1.00 1.82 C ATOM 1240 ND1 HIS A 84 11.831 11.183 -2.877 1.00 2.62 N ATOM 1241 CD2 HIS A 84 9.625 11.043 -2.928 1.00 2.33 C ATOM 1242 CE1 HIS A 84 11.366 12.111 -3.732 1.00 3.58 C ATOM 1243 NE2 HIS A 84 10.027 12.043 -3.815 1.00 3.42 N ATOM 0 H HIS A 84 12.022 7.005 0.012 1.00 0.76 H new ATOM 0 HA HIS A 84 12.663 8.497 -2.346 1.00 0.94 H new ATOM 0 HB2 HIS A 84 10.022 8.593 -1.750 1.00 1.75 H new ATOM 0 HB3 HIS A 84 10.534 9.646 -0.445 1.00 1.75 H new ATOM 0 HD1 HIS A 84 12.809 11.024 -2.636 1.00 2.62 H new ATOM 0 HD2 HIS A 84 8.606 10.759 -2.709 1.00 2.33 H new ATOM 0 HE1 HIS A 84 11.982 12.812 -4.275 1.00 3.58 H new ATOM 1251 N LEU A 85 13.339 8.979 0.761 1.00 0.75 N ATOM 1252 CA LEU A 85 13.662 9.960 1.785 1.00 0.87 C ATOM 1253 C LEU A 85 15.144 9.969 2.144 1.00 0.94 C ATOM 1254 O LEU A 85 15.831 8.954 2.051 1.00 1.19 O ATOM 1255 CB LEU A 85 12.763 9.757 3.013 1.00 1.14 C ATOM 1256 CG LEU A 85 11.286 10.003 2.687 1.00 1.30 C ATOM 1257 CD1 LEU A 85 10.525 8.728 2.305 1.00 1.56 C ATOM 1258 CD2 LEU A 85 10.557 10.673 3.853 1.00 1.60 C ATOM 0 H LEU A 85 13.342 8.006 1.067 1.00 0.75 H new ATOM 0 HA LEU A 85 13.459 10.950 1.376 1.00 0.87 H new ATOM 0 HB2 LEU A 85 12.887 8.742 3.390 1.00 1.14 H new ATOM 0 HB3 LEU A 85 13.077 10.433 3.808 1.00 1.14 H new ATOM 0 HG LEU A 85 11.297 10.664 1.821 1.00 1.30 H new ATOM 0 HD11 LEU A 85 9.486 8.976 2.087 1.00 1.56 H new ATOM 0 HD12 LEU A 85 10.984 8.281 1.423 1.00 1.56 H new ATOM 0 HD13 LEU A 85 10.563 8.020 3.133 1.00 1.56 H new ATOM 0 HD21 LEU A 85 9.512 10.832 3.586 1.00 1.60 H new ATOM 0 HD22 LEU A 85 10.613 10.033 4.733 1.00 1.60 H new ATOM 0 HD23 LEU A 85 11.025 11.633 4.072 1.00 1.60 H new ATOM 1270 N LYS A 86 15.618 11.141 2.573 1.00 1.15 N ATOM 1271 CA LYS A 86 16.994 11.372 2.984 1.00 1.37 C ATOM 1272 C LYS A 86 17.407 10.408 4.101 1.00 1.12 C ATOM 1273 O LYS A 86 18.551 9.968 4.153 1.00 1.55 O ATOM 1274 CB LYS A 86 17.218 12.848 3.372 1.00 1.84 C ATOM 1275 CG LYS A 86 16.308 13.383 4.494 1.00 1.89 C ATOM 1276 CD LYS A 86 15.134 14.228 3.972 1.00 3.04 C ATOM 1277 CE LYS A 86 15.495 15.702 3.729 1.00 4.45 C ATOM 1278 NZ LYS A 86 15.688 16.456 4.987 1.00 5.23 N ATOM 0 H LYS A 86 15.035 11.975 2.644 1.00 1.15 H new ATOM 0 HA LYS A 86 17.642 11.166 2.132 1.00 1.37 H new ATOM 0 HB2 LYS A 86 18.256 12.971 3.680 1.00 1.84 H new ATOM 0 HB3 LYS A 86 17.073 13.465 2.485 1.00 1.84 H new ATOM 0 HG2 LYS A 86 15.916 12.542 5.066 1.00 1.89 H new ATOM 0 HG3 LYS A 86 16.904 13.985 5.180 1.00 1.89 H new ATOM 0 HD2 LYS A 86 14.771 13.794 3.041 1.00 3.04 H new ATOM 0 HD3 LYS A 86 14.314 14.177 4.688 1.00 3.04 H new ATOM 0 HE2 LYS A 86 16.407 15.755 3.134 1.00 4.45 H new ATOM 0 HE3 LYS A 86 14.705 16.174 3.145 1.00 4.45 H new ATOM 0 HZ1 LYS A 86 15.846 17.461 4.769 1.00 5.23 H new ATOM 0 HZ2 LYS A 86 14.841 16.360 5.583 1.00 5.23 H new ATOM 0 HZ3 LYS A 86 16.513 16.078 5.495 1.00 5.23 H new ATOM 1292 N SER A 87 16.468 10.097 4.996 1.00 0.97 N ATOM 1293 CA SER A 87 16.691 9.203 6.114 1.00 1.21 C ATOM 1294 C SER A 87 16.438 7.779 5.605 1.00 1.13 C ATOM 1295 O SER A 87 15.302 7.475 5.233 1.00 1.08 O ATOM 1296 CB SER A 87 15.736 9.607 7.241 1.00 1.58 C ATOM 1297 OG SER A 87 15.806 11.007 7.457 1.00 1.89 O ATOM 0 H SER A 87 15.519 10.469 4.956 1.00 0.97 H new ATOM 0 HA SER A 87 17.705 9.255 6.510 1.00 1.21 H new ATOM 0 HB2 SER A 87 14.716 9.321 6.985 1.00 1.58 H new ATOM 0 HB3 SER A 87 15.996 9.076 8.157 1.00 1.58 H new ATOM 0 HG SER A 87 15.191 11.258 8.178 1.00 1.89 H new ATOM 1303 N PRO A 88 17.462 6.917 5.501 1.00 1.20 N ATOM 1304 CA PRO A 88 17.340 5.644 4.808 1.00 1.19 C ATOM 1305 C PRO A 88 16.216 4.784 5.387 1.00 1.22 C ATOM 1306 O PRO A 88 15.478 4.152 4.634 1.00 1.46 O ATOM 1307 CB PRO A 88 18.714 4.974 4.905 1.00 1.41 C ATOM 1308 CG PRO A 88 19.374 5.660 6.102 1.00 1.56 C ATOM 1309 CD PRO A 88 18.797 7.074 6.052 1.00 1.44 C ATOM 0 HA PRO A 88 17.061 5.786 3.764 1.00 1.19 H new ATOM 0 HB2 PRO A 88 18.624 3.899 5.060 1.00 1.41 H new ATOM 0 HB3 PRO A 88 19.294 5.117 3.993 1.00 1.41 H new ATOM 0 HG2 PRO A 88 19.131 5.158 7.039 1.00 1.56 H new ATOM 0 HG3 PRO A 88 20.461 5.665 6.015 1.00 1.56 H new ATOM 0 HD2 PRO A 88 18.764 7.522 7.045 1.00 1.44 H new ATOM 0 HD3 PRO A 88 19.407 7.727 5.428 1.00 1.44 H new ATOM 1317 N GLU A 89 16.033 4.784 6.709 1.00 1.33 N ATOM 1318 CA GLU A 89 15.000 3.972 7.338 1.00 1.51 C ATOM 1319 C GLU A 89 13.604 4.337 6.827 1.00 1.49 C ATOM 1320 O GLU A 89 12.706 3.497 6.796 1.00 1.89 O ATOM 1321 CB GLU A 89 15.034 4.057 8.867 1.00 1.87 C ATOM 1322 CG GLU A 89 16.291 4.664 9.499 1.00 2.02 C ATOM 1323 CD GLU A 89 16.187 6.178 9.449 1.00 2.65 C ATOM 1324 OE1 GLU A 89 16.714 6.739 8.462 1.00 3.13 O ATOM 1325 OE2 GLU A 89 15.492 6.721 10.336 1.00 3.80 O ATOM 0 H GLU A 89 16.588 5.338 7.361 1.00 1.33 H new ATOM 0 HA GLU A 89 15.219 2.942 7.057 1.00 1.51 H new ATOM 0 HB2 GLU A 89 14.174 4.641 9.194 1.00 1.87 H new ATOM 0 HB3 GLU A 89 14.906 3.051 9.266 1.00 1.87 H new ATOM 0 HG2 GLU A 89 16.394 4.327 10.531 1.00 2.02 H new ATOM 0 HG3 GLU A 89 17.180 4.330 8.965 1.00 2.02 H new ATOM 1332 N LEU A 90 13.421 5.604 6.449 1.00 1.30 N ATOM 1333 CA LEU A 90 12.142 6.113 5.988 1.00 1.30 C ATOM 1334 C LEU A 90 11.842 5.614 4.572 1.00 1.21 C ATOM 1335 O LEU A 90 10.722 5.789 4.094 1.00 1.49 O ATOM 1336 CB LEU A 90 12.108 7.645 6.065 1.00 1.28 C ATOM 1337 CG LEU A 90 11.987 8.248 7.476 1.00 1.22 C ATOM 1338 CD1 LEU A 90 10.550 8.152 7.994 1.00 1.61 C ATOM 1339 CD2 LEU A 90 12.942 7.647 8.513 1.00 1.78 C ATOM 0 H LEU A 90 14.164 6.303 6.457 1.00 1.30 H new ATOM 0 HA LEU A 90 11.360 5.733 6.645 1.00 1.30 H new ATOM 0 HB2 LEU A 90 13.016 8.032 5.603 1.00 1.28 H new ATOM 0 HB3 LEU A 90 11.269 8.000 5.467 1.00 1.28 H new ATOM 0 HG LEU A 90 12.279 9.291 7.355 1.00 1.22 H new ATOM 0 HD11 LEU A 90 10.493 8.585 8.993 1.00 1.61 H new ATOM 0 HD12 LEU A 90 9.885 8.696 7.324 1.00 1.61 H new ATOM 0 HD13 LEU A 90 10.247 7.106 8.035 1.00 1.61 H new ATOM 0 HD21 LEU A 90 12.786 8.133 9.476 1.00 1.78 H new ATOM 0 HD22 LEU A 90 12.749 6.579 8.610 1.00 1.78 H new ATOM 0 HD23 LEU A 90 13.972 7.802 8.192 1.00 1.78 H new ATOM 1351 N ASN A 91 12.804 4.984 3.887 1.00 0.96 N ATOM 1352 CA ASN A 91 12.574 4.358 2.592 1.00 0.95 C ATOM 1353 C ASN A 91 11.811 3.053 2.844 1.00 1.02 C ATOM 1354 O ASN A 91 12.358 1.960 2.729 1.00 1.43 O ATOM 1355 CB ASN A 91 13.909 4.126 1.864 1.00 0.96 C ATOM 1356 CG ASN A 91 14.644 5.417 1.472 1.00 1.06 C ATOM 1357 OD1 ASN A 91 15.140 5.530 0.355 1.00 1.78 O ATOM 1358 ND2 ASN A 91 14.724 6.417 2.339 1.00 1.06 N ATOM 0 H ASN A 91 13.764 4.897 4.221 1.00 0.96 H new ATOM 0 HA ASN A 91 11.981 5.001 1.941 1.00 0.95 H new ATOM 0 HB2 ASN A 91 14.560 3.530 2.504 1.00 0.96 H new ATOM 0 HB3 ASN A 91 13.722 3.540 0.964 1.00 0.96 H new ATOM 0 HD21 ASN A 91 15.198 7.282 2.078 1.00 1.06 H new ATOM 0 HD22 ASN A 91 14.311 6.322 3.267 1.00 1.06 H new ATOM 1365 N VAL A 92 10.553 3.188 3.264 1.00 0.83 N ATOM 1366 CA VAL A 92 9.736 2.105 3.789 1.00 0.76 C ATOM 1367 C VAL A 92 9.452 1.060 2.714 1.00 0.66 C ATOM 1368 O VAL A 92 9.311 1.392 1.535 1.00 0.81 O ATOM 1369 CB VAL A 92 8.436 2.698 4.368 1.00 0.77 C ATOM 1370 CG1 VAL A 92 7.336 1.666 4.655 1.00 0.84 C ATOM 1371 CG2 VAL A 92 8.742 3.391 5.692 1.00 1.20 C ATOM 0 H VAL A 92 10.064 4.083 3.246 1.00 0.83 H new ATOM 0 HA VAL A 92 10.276 1.592 4.585 1.00 0.76 H new ATOM 0 HB VAL A 92 8.066 3.378 3.601 1.00 0.77 H new ATOM 0 HG11 VAL A 92 6.459 2.172 5.060 1.00 0.84 H new ATOM 0 HG12 VAL A 92 7.066 1.155 3.731 1.00 0.84 H new ATOM 0 HG13 VAL A 92 7.701 0.937 5.379 1.00 0.84 H new ATOM 0 HG21 VAL A 92 7.824 3.811 6.103 1.00 1.20 H new ATOM 0 HG22 VAL A 92 9.156 2.668 6.394 1.00 1.20 H new ATOM 0 HG23 VAL A 92 9.464 4.190 5.526 1.00 1.20 H new ATOM 1381 N ASP A 93 9.293 -0.192 3.147 1.00 0.72 N ATOM 1382 CA ASP A 93 8.673 -1.241 2.356 1.00 0.75 C ATOM 1383 C ASP A 93 7.334 -1.600 2.994 1.00 0.94 C ATOM 1384 O ASP A 93 7.133 -1.421 4.194 1.00 1.17 O ATOM 1385 CB ASP A 93 9.597 -2.464 2.309 1.00 0.87 C ATOM 1386 CG ASP A 93 9.276 -3.407 1.165 1.00 1.53 C ATOM 1387 OD1 ASP A 93 10.174 -4.173 0.751 1.00 2.00 O ATOM 1388 OD2 ASP A 93 8.162 -3.326 0.601 1.00 2.56 O ATOM 0 H ASP A 93 9.597 -0.503 4.069 1.00 0.72 H new ATOM 0 HA ASP A 93 8.506 -0.900 1.334 1.00 0.75 H new ATOM 0 HB2 ASP A 93 10.630 -2.128 2.217 1.00 0.87 H new ATOM 0 HB3 ASP A 93 9.521 -3.006 3.252 1.00 0.87 H new ATOM 1393 N LEU A 94 6.430 -2.117 2.176 1.00 0.92 N ATOM 1394 CA LEU A 94 5.116 -2.622 2.534 1.00 1.08 C ATOM 1395 C LEU A 94 5.125 -4.120 2.212 1.00 1.02 C ATOM 1396 O LEU A 94 5.490 -4.506 1.102 1.00 1.13 O ATOM 1397 CB LEU A 94 4.053 -1.870 1.719 1.00 1.27 C ATOM 1398 CG LEU A 94 4.078 -0.339 1.886 1.00 1.19 C ATOM 1399 CD1 LEU A 94 2.983 0.335 1.056 1.00 1.45 C ATOM 1400 CD2 LEU A 94 3.839 0.086 3.328 1.00 1.80 C ATOM 0 H LEU A 94 6.609 -2.200 1.175 1.00 0.92 H new ATOM 0 HA LEU A 94 4.883 -2.472 3.588 1.00 1.08 H new ATOM 0 HB2 LEU A 94 4.187 -2.109 0.664 1.00 1.27 H new ATOM 0 HB3 LEU A 94 3.068 -2.237 2.006 1.00 1.27 H new ATOM 0 HG LEU A 94 5.070 -0.033 1.555 1.00 1.19 H new ATOM 0 HD11 LEU A 94 3.031 1.415 1.199 1.00 1.45 H new ATOM 0 HD12 LEU A 94 3.130 0.101 0.002 1.00 1.45 H new ATOM 0 HD13 LEU A 94 2.007 -0.030 1.376 1.00 1.45 H new ATOM 0 HD21 LEU A 94 3.866 1.174 3.396 1.00 1.80 H new ATOM 0 HD22 LEU A 94 2.864 -0.274 3.657 1.00 1.80 H new ATOM 0 HD23 LEU A 94 4.616 -0.337 3.965 1.00 1.80 H new ATOM 1412 N ALA A 95 4.750 -4.981 3.161 1.00 0.94 N ATOM 1413 CA ALA A 95 4.898 -6.422 2.984 1.00 0.91 C ATOM 1414 C ALA A 95 3.787 -6.944 2.074 1.00 0.80 C ATOM 1415 O ALA A 95 2.704 -6.368 2.037 1.00 0.83 O ATOM 1416 CB ALA A 95 4.851 -7.117 4.347 1.00 1.03 C ATOM 0 H ALA A 95 4.344 -4.704 4.055 1.00 0.94 H new ATOM 0 HA ALA A 95 5.860 -6.637 2.518 1.00 0.91 H new ATOM 0 HB1 ALA A 95 4.962 -8.193 4.211 1.00 1.03 H new ATOM 0 HB2 ALA A 95 5.662 -6.745 4.973 1.00 1.03 H new ATOM 0 HB3 ALA A 95 3.896 -6.909 4.829 1.00 1.03 H new ATOM 1422 N ALA A 96 4.048 -8.031 1.337 1.00 0.78 N ATOM 1423 CA ALA A 96 3.135 -8.508 0.306 1.00 0.78 C ATOM 1424 C ALA A 96 1.959 -9.243 0.953 1.00 0.74 C ATOM 1425 O ALA A 96 2.040 -10.431 1.257 1.00 1.27 O ATOM 1426 CB ALA A 96 3.876 -9.384 -0.704 1.00 0.97 C ATOM 0 H ALA A 96 4.891 -8.596 1.441 1.00 0.78 H new ATOM 0 HA ALA A 96 2.733 -7.657 -0.244 1.00 0.78 H new ATOM 0 HB1 ALA A 96 3.178 -9.731 -1.466 1.00 0.97 H new ATOM 0 HB2 ALA A 96 4.669 -8.804 -1.176 1.00 0.97 H new ATOM 0 HB3 ALA A 96 4.310 -10.243 -0.192 1.00 0.97 H new ATOM 1432 N ALA A 97 0.887 -8.492 1.187 1.00 0.71 N ATOM 1433 CA ALA A 97 -0.324 -8.901 1.875 1.00 0.72 C ATOM 1434 C ALA A 97 -1.296 -9.621 0.934 1.00 0.58 C ATOM 1435 O ALA A 97 -1.045 -9.739 -0.265 1.00 1.44 O ATOM 1436 CB ALA A 97 -0.959 -7.633 2.444 1.00 1.24 C ATOM 0 H ALA A 97 0.843 -7.520 0.880 1.00 0.71 H new ATOM 0 HA ALA A 97 -0.085 -9.611 2.667 1.00 0.72 H new ATOM 0 HB1 ALA A 97 -1.877 -7.891 2.973 1.00 1.24 H new ATOM 0 HB2 ALA A 97 -0.264 -7.157 3.135 1.00 1.24 H new ATOM 0 HB3 ALA A 97 -1.190 -6.945 1.631 1.00 1.24 H new ATOM 1442 N ASP A 98 -2.406 -10.100 1.496 1.00 0.84 N ATOM 1443 CA ASP A 98 -3.572 -10.620 0.795 1.00 0.93 C ATOM 1444 C ASP A 98 -4.709 -9.594 0.857 1.00 0.98 C ATOM 1445 O ASP A 98 -4.653 -8.633 1.626 1.00 1.49 O ATOM 1446 CB ASP A 98 -4.049 -11.878 1.536 1.00 1.65 C ATOM 1447 CG ASP A 98 -4.604 -11.490 2.905 1.00 3.42 C ATOM 1448 OD1 ASP A 98 -5.849 -11.480 3.038 1.00 4.49 O ATOM 1449 OD2 ASP A 98 -3.768 -11.133 3.761 1.00 4.57 O ATOM 0 H ASP A 98 -2.518 -10.136 2.509 1.00 0.84 H new ATOM 0 HA ASP A 98 -3.312 -10.834 -0.242 1.00 0.93 H new ATOM 0 HB2 ASP A 98 -4.817 -12.386 0.952 1.00 1.65 H new ATOM 0 HB3 ASP A 98 -3.222 -12.578 1.653 1.00 1.65 H new ATOM 1454 N ILE A 99 -5.791 -9.866 0.125 1.00 0.81 N ATOM 1455 CA ILE A 99 -7.121 -9.444 0.468 1.00 0.84 C ATOM 1456 C ILE A 99 -8.030 -10.673 0.458 1.00 0.97 C ATOM 1457 O ILE A 99 -8.653 -10.994 -0.551 1.00 1.41 O ATOM 1458 CB ILE A 99 -7.575 -8.321 -0.463 1.00 0.84 C ATOM 1459 CG1 ILE A 99 -9.082 -8.106 -0.343 1.00 1.12 C ATOM 1460 CG2 ILE A 99 -7.150 -8.499 -1.921 1.00 1.12 C ATOM 1461 CD1 ILE A 99 -9.416 -6.654 -0.596 1.00 1.29 C ATOM 0 H ILE A 99 -5.749 -10.401 -0.743 1.00 0.81 H new ATOM 0 HA ILE A 99 -7.161 -9.019 1.471 1.00 0.84 H new ATOM 0 HB ILE A 99 -7.055 -7.424 -0.128 1.00 0.84 H new ATOM 0 HG12 ILE A 99 -9.607 -8.739 -1.059 1.00 1.12 H new ATOM 0 HG13 ILE A 99 -9.422 -8.399 0.650 1.00 1.12 H new ATOM 0 HG21 ILE A 99 -7.514 -7.658 -2.511 1.00 1.12 H new ATOM 0 HG22 ILE A 99 -6.062 -8.541 -1.980 1.00 1.12 H new ATOM 0 HG23 ILE A 99 -7.571 -9.425 -2.312 1.00 1.12 H new ATOM 0 HD11 ILE A 99 -10.493 -6.508 -0.509 1.00 1.29 H new ATOM 0 HD12 ILE A 99 -8.905 -6.030 0.137 1.00 1.29 H new ATOM 0 HD13 ILE A 99 -9.092 -6.376 -1.599 1.00 1.29 H new ATOM 1473 N LYS A 100 -8.116 -11.329 1.615 1.00 1.23 N ATOM 1474 CA LYS A 100 -9.207 -12.198 2.024 1.00 1.52 C ATOM 1475 C LYS A 100 -10.560 -11.728 1.456 1.00 1.19 C ATOM 1476 O LYS A 100 -10.785 -10.525 1.309 1.00 2.13 O ATOM 1477 CB LYS A 100 -9.228 -12.278 3.565 1.00 2.66 C ATOM 1478 CG LYS A 100 -9.508 -10.955 4.306 1.00 4.40 C ATOM 1479 CD LYS A 100 -8.281 -10.032 4.439 1.00 5.23 C ATOM 1480 CE LYS A 100 -8.570 -8.779 5.275 1.00 7.33 C ATOM 1481 NZ LYS A 100 -9.537 -7.878 4.615 1.00 8.33 N ATOM 0 H LYS A 100 -7.387 -11.262 2.325 1.00 1.23 H new ATOM 0 HA LYS A 100 -9.042 -13.195 1.616 1.00 1.52 H new ATOM 0 HB2 LYS A 100 -9.985 -13.005 3.861 1.00 2.66 H new ATOM 0 HB3 LYS A 100 -8.266 -12.664 3.902 1.00 2.66 H new ATOM 0 HG2 LYS A 100 -10.297 -10.418 3.780 1.00 4.40 H new ATOM 0 HG3 LYS A 100 -9.887 -11.183 5.302 1.00 4.40 H new ATOM 0 HD2 LYS A 100 -7.462 -10.587 4.896 1.00 5.23 H new ATOM 0 HD3 LYS A 100 -7.948 -9.732 3.445 1.00 5.23 H new ATOM 0 HE2 LYS A 100 -8.959 -9.076 6.249 1.00 7.33 H new ATOM 0 HE3 LYS A 100 -7.639 -8.241 5.454 1.00 7.33 H new ATOM 0 HZ1 LYS A 100 -9.753 -7.079 5.245 1.00 8.33 H new ATOM 0 HZ2 LYS A 100 -9.128 -7.519 3.729 1.00 8.33 H new ATOM 0 HZ3 LYS A 100 -10.411 -8.401 4.406 1.00 8.33 H new ATOM 1495 N PRO A 101 -11.486 -12.648 1.147 1.00 1.76 N ATOM 1496 CA PRO A 101 -12.727 -12.309 0.473 1.00 2.63 C ATOM 1497 C PRO A 101 -13.672 -11.559 1.418 1.00 2.07 C ATOM 1498 O PRO A 101 -14.576 -12.156 1.998 1.00 3.00 O ATOM 1499 CB PRO A 101 -13.288 -13.654 0.001 1.00 4.33 C ATOM 1500 CG PRO A 101 -12.781 -14.638 1.055 1.00 4.44 C ATOM 1501 CD PRO A 101 -11.391 -14.085 1.365 1.00 2.98 C ATOM 0 HA PRO A 101 -12.587 -11.631 -0.369 1.00 2.63 H new ATOM 0 HB2 PRO A 101 -14.377 -13.641 -0.046 1.00 4.33 H new ATOM 0 HB3 PRO A 101 -12.929 -13.912 -0.995 1.00 4.33 H new ATOM 0 HG2 PRO A 101 -13.420 -14.654 1.938 1.00 4.44 H new ATOM 0 HG3 PRO A 101 -12.738 -15.658 0.673 1.00 4.44 H new ATOM 0 HD2 PRO A 101 -11.100 -14.308 2.392 1.00 2.98 H new ATOM 0 HD3 PRO A 101 -10.637 -14.531 0.716 1.00 2.98 H new ATOM 1509 N ASP A 102 -13.497 -10.237 1.534 1.00 1.47 N ATOM 1510 CA ASP A 102 -14.236 -9.344 2.437 1.00 1.46 C ATOM 1511 C ASP A 102 -15.742 -9.211 2.122 1.00 1.54 C ATOM 1512 O ASP A 102 -16.366 -8.219 2.511 1.00 2.46 O ATOM 1513 CB ASP A 102 -13.586 -7.946 2.398 1.00 2.09 C ATOM 1514 CG ASP A 102 -12.218 -7.855 3.057 1.00 3.39 C ATOM 1515 OD1 ASP A 102 -11.996 -8.573 4.053 1.00 4.41 O ATOM 1516 OD2 ASP A 102 -11.410 -7.001 2.625 1.00 4.34 O ATOM 0 H ASP A 102 -12.805 -9.737 0.976 1.00 1.47 H new ATOM 0 HA ASP A 102 -14.176 -9.796 3.427 1.00 1.46 H new ATOM 0 HB2 ASP A 102 -13.493 -7.634 1.358 1.00 2.09 H new ATOM 0 HB3 ASP A 102 -14.255 -7.237 2.885 1.00 2.09 H new ATOM 1521 N GLY A 103 -16.353 -10.176 1.423 1.00 2.23 N ATOM 1522 CA GLY A 103 -17.751 -10.152 1.012 1.00 2.82 C ATOM 1523 C GLY A 103 -18.123 -8.812 0.380 1.00 2.33 C ATOM 1524 O GLY A 103 -19.097 -8.181 0.790 1.00 3.07 O ATOM 0 H GLY A 103 -15.866 -11.020 1.121 1.00 2.23 H new ATOM 0 HA2 GLY A 103 -17.936 -10.956 0.300 1.00 2.82 H new ATOM 0 HA3 GLY A 103 -18.389 -10.338 1.876 1.00 2.82 H new ATOM 1528 N LYS A 104 -17.292 -8.326 -0.542 1.00 1.67 N ATOM 1529 CA LYS A 104 -17.370 -7.006 -1.150 1.00 1.68 C ATOM 1530 C LYS A 104 -16.291 -6.965 -2.229 1.00 2.10 C ATOM 1531 O LYS A 104 -15.227 -7.546 -2.031 1.00 3.59 O ATOM 1532 CB LYS A 104 -17.098 -5.914 -0.097 1.00 1.98 C ATOM 1533 CG LYS A 104 -18.355 -5.133 0.319 1.00 2.31 C ATOM 1534 CD LYS A 104 -18.136 -4.429 1.669 1.00 2.87 C ATOM 1535 CE LYS A 104 -18.713 -5.191 2.875 1.00 3.69 C ATOM 1536 NZ LYS A 104 -18.414 -6.638 2.870 1.00 4.73 N ATOM 0 H LYS A 104 -16.509 -8.873 -0.900 1.00 1.67 H new ATOM 0 HA LYS A 104 -18.361 -6.825 -1.567 1.00 1.68 H new ATOM 0 HB2 LYS A 104 -16.658 -6.375 0.787 1.00 1.98 H new ATOM 0 HB3 LYS A 104 -16.361 -5.215 -0.492 1.00 1.98 H new ATOM 0 HG2 LYS A 104 -18.601 -4.396 -0.445 1.00 2.31 H new ATOM 0 HG3 LYS A 104 -19.204 -5.813 0.391 1.00 2.31 H new ATOM 0 HD2 LYS A 104 -17.067 -4.284 1.822 1.00 2.87 H new ATOM 0 HD3 LYS A 104 -18.589 -3.438 1.628 1.00 2.87 H new ATOM 0 HE2 LYS A 104 -18.319 -4.752 3.792 1.00 3.69 H new ATOM 0 HE3 LYS A 104 -19.794 -5.054 2.895 1.00 3.69 H new ATOM 0 HZ1 LYS A 104 -18.715 -7.058 3.773 1.00 4.73 H new ATOM 0 HZ2 LYS A 104 -18.925 -7.095 2.088 1.00 4.73 H new ATOM 0 HZ3 LYS A 104 -17.391 -6.781 2.745 1.00 4.73 H new ATOM 1550 N ARG A 105 -16.572 -6.294 -3.351 1.00 1.64 N ATOM 1551 CA ARG A 105 -15.650 -6.028 -4.456 1.00 1.85 C ATOM 1552 C ARG A 105 -14.410 -5.274 -3.961 1.00 1.65 C ATOM 1553 O ARG A 105 -14.291 -4.074 -4.186 1.00 2.39 O ATOM 1554 CB ARG A 105 -16.359 -5.199 -5.542 1.00 2.31 C ATOM 1555 CG ARG A 105 -17.621 -5.856 -6.116 1.00 3.18 C ATOM 1556 CD ARG A 105 -18.169 -5.052 -7.306 1.00 3.89 C ATOM 1557 NE ARG A 105 -18.374 -3.626 -6.976 1.00 4.08 N ATOM 1558 CZ ARG A 105 -17.635 -2.574 -7.386 1.00 4.95 C ATOM 1559 NH1 ARG A 105 -16.642 -2.707 -8.264 1.00 5.47 N ATOM 1560 NH2 ARG A 105 -17.898 -1.356 -6.900 1.00 6.04 N ATOM 0 H ARG A 105 -17.498 -5.902 -3.520 1.00 1.64 H new ATOM 0 HA ARG A 105 -15.333 -6.983 -4.875 1.00 1.85 H new ATOM 0 HB2 ARG A 105 -16.627 -4.228 -5.124 1.00 2.31 H new ATOM 0 HB3 ARG A 105 -15.658 -5.013 -6.356 1.00 2.31 H new ATOM 0 HG2 ARG A 105 -17.393 -6.873 -6.434 1.00 3.18 H new ATOM 0 HG3 ARG A 105 -18.383 -5.928 -5.340 1.00 3.18 H new ATOM 0 HD2 ARG A 105 -17.477 -5.132 -8.145 1.00 3.89 H new ATOM 0 HD3 ARG A 105 -19.115 -5.487 -7.630 1.00 3.89 H new ATOM 0 HE ARG A 105 -19.165 -3.413 -6.368 1.00 4.08 H new ATOM 0 HH11 ARG A 105 -16.420 -3.626 -8.648 1.00 5.47 H new ATOM 0 HH12 ARG A 105 -16.103 -1.890 -8.552 1.00 5.47 H new ATOM 0 HH21 ARG A 105 -18.652 -1.228 -6.225 1.00 6.04 H new ATOM 0 HH22 ARG A 105 -17.345 -0.555 -7.204 1.00 6.04 H new ATOM 1574 N HIS A 106 -13.504 -5.986 -3.287 1.00 1.69 N ATOM 1575 CA HIS A 106 -12.308 -5.447 -2.666 1.00 1.69 C ATOM 1576 C HIS A 106 -12.661 -4.416 -1.599 1.00 1.52 C ATOM 1577 O HIS A 106 -12.570 -3.218 -1.851 1.00 2.71 O ATOM 1578 CB HIS A 106 -11.359 -4.865 -3.722 1.00 2.22 C ATOM 1579 CG HIS A 106 -9.989 -4.492 -3.198 1.00 3.29 C ATOM 1580 ND1 HIS A 106 -9.698 -3.819 -2.027 1.00 4.21 N ATOM 1581 CD2 HIS A 106 -8.798 -4.878 -3.754 1.00 4.47 C ATOM 1582 CE1 HIS A 106 -8.362 -3.852 -1.872 1.00 5.33 C ATOM 1583 NE2 HIS A 106 -7.772 -4.476 -2.902 1.00 5.53 N ATOM 0 H HIS A 106 -13.594 -6.994 -3.158 1.00 1.69 H new ATOM 0 HA HIS A 106 -11.786 -6.264 -2.168 1.00 1.69 H new ATOM 0 HB2 HIS A 106 -11.241 -5.592 -4.526 1.00 2.22 H new ATOM 0 HB3 HIS A 106 -11.821 -3.979 -4.158 1.00 2.22 H new ATOM 0 HD1 HIS A 106 -10.370 -3.380 -1.398 1.00 4.21 H new ATOM 0 HD2 HIS A 106 -8.676 -5.403 -4.690 1.00 4.47 H new ATOM 0 HE1 HIS A 106 -7.834 -3.431 -1.029 1.00 5.33 H new ATOM 1591 N ALA A 107 -12.959 -4.867 -0.376 1.00 1.05 N ATOM 1592 CA ALA A 107 -12.866 -3.948 0.746 1.00 1.54 C ATOM 1593 C ALA A 107 -11.387 -3.637 0.982 1.00 1.24 C ATOM 1594 O ALA A 107 -10.896 -2.668 0.399 1.00 1.33 O ATOM 1595 CB ALA A 107 -13.611 -4.448 1.983 1.00 2.53 C ATOM 0 H ALA A 107 -13.252 -5.817 -0.150 1.00 1.05 H new ATOM 0 HA ALA A 107 -13.378 -3.015 0.510 1.00 1.54 H new ATOM 0 HB1 ALA A 107 -13.507 -3.721 2.789 1.00 2.53 H new ATOM 0 HB2 ALA A 107 -14.667 -4.577 1.745 1.00 2.53 H new ATOM 0 HB3 ALA A 107 -13.191 -5.403 2.299 1.00 2.53 H new ATOM 1601 N VAL A 108 -10.648 -4.436 1.767 1.00 1.13 N ATOM 1602 CA VAL A 108 -9.315 -4.005 2.191 1.00 1.00 C ATOM 1603 C VAL A 108 -8.275 -5.107 2.360 1.00 0.96 C ATOM 1604 O VAL A 108 -8.537 -6.211 2.833 1.00 1.16 O ATOM 1605 CB VAL A 108 -9.351 -3.137 3.461 1.00 1.00 C ATOM 1606 CG1 VAL A 108 -9.799 -1.710 3.159 1.00 1.11 C ATOM 1607 CG2 VAL A 108 -10.203 -3.749 4.578 1.00 1.17 C ATOM 0 H VAL A 108 -10.940 -5.351 2.109 1.00 1.13 H new ATOM 0 HA VAL A 108 -8.984 -3.409 1.341 1.00 1.00 H new ATOM 0 HB VAL A 108 -8.325 -3.102 3.827 1.00 1.00 H new ATOM 0 HG11 VAL A 108 -9.811 -1.130 4.082 1.00 1.11 H new ATOM 0 HG12 VAL A 108 -9.107 -1.253 2.452 1.00 1.11 H new ATOM 0 HG13 VAL A 108 -10.800 -1.726 2.727 1.00 1.11 H new ATOM 0 HG21 VAL A 108 -10.190 -3.092 5.447 1.00 1.17 H new ATOM 0 HG22 VAL A 108 -11.229 -3.869 4.229 1.00 1.17 H new ATOM 0 HG23 VAL A 108 -9.797 -4.723 4.853 1.00 1.17 H new ATOM 1617 N ILE A 109 -7.054 -4.722 2.004 1.00 0.87 N ATOM 1618 CA ILE A 109 -5.805 -5.404 2.231 1.00 0.76 C ATOM 1619 C ILE A 109 -5.282 -4.913 3.578 1.00 0.72 C ATOM 1620 O ILE A 109 -5.226 -3.702 3.793 1.00 0.97 O ATOM 1621 CB ILE A 109 -4.843 -4.981 1.107 1.00 1.01 C ATOM 1622 CG1 ILE A 109 -5.302 -5.479 -0.265 1.00 1.89 C ATOM 1623 CG2 ILE A 109 -3.387 -5.381 1.377 1.00 1.63 C ATOM 1624 CD1 ILE A 109 -4.824 -4.581 -1.401 1.00 2.69 C ATOM 0 H ILE A 109 -6.912 -3.844 1.505 1.00 0.87 H new ATOM 0 HA ILE A 109 -5.908 -6.489 2.236 1.00 0.76 H new ATOM 0 HB ILE A 109 -4.873 -3.891 1.095 1.00 1.01 H new ATOM 0 HG12 ILE A 109 -4.929 -6.491 -0.424 1.00 1.89 H new ATOM 0 HG13 ILE A 109 -6.390 -5.534 -0.283 1.00 1.89 H new ATOM 0 HG21 ILE A 109 -2.760 -5.054 0.547 1.00 1.63 H new ATOM 0 HG22 ILE A 109 -3.045 -4.909 2.298 1.00 1.63 H new ATOM 0 HG23 ILE A 109 -3.320 -6.464 1.478 1.00 1.63 H new ATOM 0 HD11 ILE A 109 -5.177 -4.979 -2.352 1.00 2.69 H new ATOM 0 HD12 ILE A 109 -5.218 -3.575 -1.260 1.00 2.69 H new ATOM 0 HD13 ILE A 109 -3.735 -4.546 -1.404 1.00 2.69 H new ATOM 1636 N SER A 110 -4.891 -5.832 4.464 1.00 0.77 N ATOM 1637 CA SER A 110 -4.307 -5.541 5.765 1.00 0.75 C ATOM 1638 C SER A 110 -2.876 -6.081 5.786 1.00 0.70 C ATOM 1639 O SER A 110 -2.709 -7.295 5.899 1.00 0.96 O ATOM 1640 CB SER A 110 -5.163 -6.228 6.834 1.00 0.86 C ATOM 1641 OG SER A 110 -5.392 -7.576 6.465 1.00 2.24 O ATOM 0 H SER A 110 -4.978 -6.832 4.284 1.00 0.77 H new ATOM 0 HA SER A 110 -4.281 -4.469 5.960 1.00 0.75 H new ATOM 0 HB2 SER A 110 -4.660 -6.185 7.800 1.00 0.86 H new ATOM 0 HB3 SER A 110 -6.113 -5.705 6.946 1.00 0.86 H new ATOM 0 HG SER A 110 -4.558 -7.971 6.135 1.00 2.24 H new ATOM 1647 N GLY A 111 -1.864 -5.216 5.662 1.00 0.69 N ATOM 1648 CA GLY A 111 -0.463 -5.630 5.547 1.00 0.65 C ATOM 1649 C GLY A 111 0.421 -5.137 6.694 1.00 0.58 C ATOM 1650 O GLY A 111 0.128 -4.113 7.312 1.00 0.68 O ATOM 0 H GLY A 111 -1.995 -4.205 5.639 1.00 0.69 H new ATOM 0 HA2 GLY A 111 -0.417 -6.718 5.507 1.00 0.65 H new ATOM 0 HA3 GLY A 111 -0.060 -5.259 4.605 1.00 0.65 H new ATOM 1654 N SER A 112 1.531 -5.845 6.945 1.00 0.73 N ATOM 1655 CA SER A 112 2.668 -5.330 7.709 1.00 0.67 C ATOM 1656 C SER A 112 3.520 -4.441 6.799 1.00 0.55 C ATOM 1657 O SER A 112 3.366 -4.461 5.577 1.00 0.76 O ATOM 1658 CB SER A 112 3.542 -6.475 8.242 1.00 0.93 C ATOM 1659 OG SER A 112 2.939 -7.131 9.336 1.00 1.50 O ATOM 0 H SER A 112 1.663 -6.802 6.618 1.00 0.73 H new ATOM 0 HA SER A 112 2.284 -4.761 8.556 1.00 0.67 H new ATOM 0 HB2 SER A 112 3.725 -7.194 7.443 1.00 0.93 H new ATOM 0 HB3 SER A 112 4.512 -6.081 8.545 1.00 0.93 H new ATOM 0 HG SER A 112 3.619 -7.333 10.012 1.00 1.50 H new ATOM 1665 N VAL A 113 4.443 -3.679 7.391 1.00 0.58 N ATOM 1666 CA VAL A 113 5.341 -2.775 6.686 1.00 0.54 C ATOM 1667 C VAL A 113 6.672 -2.745 7.435 1.00 0.54 C ATOM 1668 O VAL A 113 6.728 -3.188 8.579 1.00 0.87 O ATOM 1669 CB VAL A 113 4.724 -1.370 6.611 1.00 0.68 C ATOM 1670 CG1 VAL A 113 3.250 -1.380 6.200 1.00 0.79 C ATOM 1671 CG2 VAL A 113 4.803 -0.684 7.964 1.00 1.21 C ATOM 0 H VAL A 113 4.586 -3.677 8.401 1.00 0.58 H new ATOM 0 HA VAL A 113 5.503 -3.121 5.665 1.00 0.54 H new ATOM 0 HB VAL A 113 5.300 -0.839 5.853 1.00 0.68 H new ATOM 0 HG11 VAL A 113 2.875 -0.357 6.166 1.00 0.79 H new ATOM 0 HG12 VAL A 113 3.150 -1.836 5.215 1.00 0.79 H new ATOM 0 HG13 VAL A 113 2.674 -1.954 6.926 1.00 0.79 H new ATOM 0 HG21 VAL A 113 4.362 0.310 7.894 1.00 1.21 H new ATOM 0 HG22 VAL A 113 4.258 -1.272 8.702 1.00 1.21 H new ATOM 0 HG23 VAL A 113 5.846 -0.597 8.268 1.00 1.21 H new ATOM 1681 N LEU A 114 7.725 -2.222 6.807 1.00 0.63 N ATOM 1682 CA LEU A 114 9.097 -2.358 7.268 1.00 0.73 C ATOM 1683 C LEU A 114 9.846 -1.043 7.043 1.00 0.74 C ATOM 1684 O LEU A 114 9.949 -0.541 5.925 1.00 0.84 O ATOM 1685 CB LEU A 114 9.683 -3.584 6.562 1.00 1.09 C ATOM 1686 CG LEU A 114 11.185 -3.871 6.622 1.00 0.79 C ATOM 1687 CD1 LEU A 114 11.905 -3.344 5.379 1.00 2.24 C ATOM 1688 CD2 LEU A 114 11.880 -3.489 7.922 1.00 2.46 C ATOM 0 H LEU A 114 7.641 -1.682 5.946 1.00 0.63 H new ATOM 0 HA LEU A 114 9.180 -2.535 8.340 1.00 0.73 H new ATOM 0 HB2 LEU A 114 9.172 -4.460 6.961 1.00 1.09 H new ATOM 0 HB3 LEU A 114 9.412 -3.509 5.509 1.00 1.09 H new ATOM 0 HG LEU A 114 11.261 -4.958 6.619 1.00 0.79 H new ATOM 0 HD11 LEU A 114 12.970 -3.565 5.454 1.00 2.24 H new ATOM 0 HD12 LEU A 114 11.497 -3.826 4.490 1.00 2.24 H new ATOM 0 HD13 LEU A 114 11.762 -2.266 5.305 1.00 2.24 H new ATOM 0 HD21 LEU A 114 12.939 -3.736 7.854 1.00 2.46 H new ATOM 0 HD22 LEU A 114 11.767 -2.419 8.094 1.00 2.46 H new ATOM 0 HD23 LEU A 114 11.431 -4.039 8.750 1.00 2.46 H new ATOM 1700 N TYR A 115 10.365 -0.493 8.141 1.00 0.86 N ATOM 1701 CA TYR A 115 11.076 0.783 8.230 1.00 1.02 C ATOM 1702 C TYR A 115 12.536 0.531 7.846 1.00 1.10 C ATOM 1703 O TYR A 115 13.444 0.751 8.643 1.00 1.34 O ATOM 1704 CB TYR A 115 10.906 1.298 9.675 1.00 1.24 C ATOM 1705 CG TYR A 115 11.621 2.577 10.089 1.00 1.73 C ATOM 1706 CD1 TYR A 115 12.755 2.499 10.925 1.00 3.26 C ATOM 1707 CD2 TYR A 115 11.011 3.828 9.877 1.00 2.23 C ATOM 1708 CE1 TYR A 115 13.296 3.658 11.506 1.00 4.18 C ATOM 1709 CE2 TYR A 115 11.534 4.982 10.490 1.00 2.96 C ATOM 1710 CZ TYR A 115 12.713 4.909 11.253 1.00 3.69 C ATOM 1711 OH TYR A 115 13.321 6.044 11.700 1.00 4.75 O ATOM 0 H TYR A 115 10.296 -0.955 9.048 1.00 0.86 H new ATOM 0 HA TYR A 115 10.688 1.545 7.553 1.00 1.02 H new ATOM 0 HB2 TYR A 115 9.840 1.445 9.849 1.00 1.24 H new ATOM 0 HB3 TYR A 115 11.233 0.505 10.348 1.00 1.24 H new ATOM 0 HD1 TYR A 115 13.211 1.540 11.120 1.00 3.26 H new ATOM 0 HD2 TYR A 115 10.140 3.902 9.243 1.00 2.23 H new ATOM 0 HE1 TYR A 115 14.161 3.586 12.148 1.00 4.18 H new ATOM 0 HE2 TYR A 115 11.027 5.929 10.374 1.00 2.96 H new ATOM 0 HH TYR A 115 14.177 6.160 11.238 1.00 4.75 H new ATOM 1721 N ASN A 116 12.739 -0.002 6.638 1.00 1.03 N ATOM 1722 CA ASN A 116 13.991 -0.527 6.083 1.00 1.13 C ATOM 1723 C ASN A 116 14.635 -1.670 6.891 1.00 0.88 C ATOM 1724 O ASN A 116 15.050 -2.660 6.298 1.00 0.90 O ATOM 1725 CB ASN A 116 14.995 0.586 5.776 1.00 1.61 C ATOM 1726 CG ASN A 116 16.046 0.127 4.766 1.00 2.36 C ATOM 1727 OD1 ASN A 116 15.714 -0.352 3.688 1.00 3.63 O ATOM 1728 ND2 ASN A 116 17.329 0.263 5.087 1.00 2.72 N ATOM 0 H ASN A 116 11.973 -0.084 5.970 1.00 1.03 H new ATOM 0 HA ASN A 116 13.695 -0.988 5.141 1.00 1.13 H new ATOM 0 HB2 ASN A 116 14.468 1.456 5.384 1.00 1.61 H new ATOM 0 HB3 ASN A 116 15.486 0.899 6.697 1.00 1.61 H new ATOM 0 HD21 ASN A 116 18.053 -0.033 4.432 1.00 2.72 H new ATOM 0 HD22 ASN A 116 17.590 0.664 5.988 1.00 2.72 H new ATOM 1735 N GLN A 117 14.740 -1.555 8.223 1.00 0.85 N ATOM 1736 CA GLN A 117 15.290 -2.575 9.111 1.00 0.83 C ATOM 1737 C GLN A 117 14.309 -3.075 10.184 1.00 0.88 C ATOM 1738 O GLN A 117 14.606 -4.078 10.826 1.00 1.23 O ATOM 1739 CB GLN A 117 16.557 -2.058 9.816 1.00 1.04 C ATOM 1740 CG GLN A 117 17.599 -1.392 8.901 1.00 1.41 C ATOM 1741 CD GLN A 117 17.398 0.097 8.595 1.00 1.62 C ATOM 1742 OE1 GLN A 117 18.082 0.635 7.731 1.00 2.88 O ATOM 1743 NE2 GLN A 117 16.495 0.808 9.263 1.00 1.79 N ATOM 0 H GLN A 117 14.433 -0.720 8.722 1.00 0.85 H new ATOM 0 HA GLN A 117 15.518 -3.419 8.460 1.00 0.83 H new ATOM 0 HB2 GLN A 117 16.259 -1.341 10.581 1.00 1.04 H new ATOM 0 HB3 GLN A 117 17.032 -2.893 10.330 1.00 1.04 H new ATOM 0 HG2 GLN A 117 18.581 -1.516 9.358 1.00 1.41 H new ATOM 0 HG3 GLN A 117 17.617 -1.934 7.955 1.00 1.41 H new ATOM 0 HE21 GLN A 117 15.925 0.362 9.982 1.00 1.79 H new ATOM 0 HE22 GLN A 117 16.372 1.799 9.057 1.00 1.79 H new ATOM 1752 N ALA A 118 13.186 -2.386 10.436 1.00 0.88 N ATOM 1753 CA ALA A 118 12.327 -2.668 11.590 1.00 0.98 C ATOM 1754 C ALA A 118 10.853 -2.762 11.192 1.00 0.87 C ATOM 1755 O ALA A 118 10.307 -1.813 10.634 1.00 1.07 O ATOM 1756 CB ALA A 118 12.530 -1.578 12.646 1.00 1.20 C ATOM 0 H ALA A 118 12.851 -1.623 9.848 1.00 0.88 H new ATOM 0 HA ALA A 118 12.609 -3.637 12.001 1.00 0.98 H new ATOM 0 HB1 ALA A 118 11.893 -1.782 13.507 1.00 1.20 H new ATOM 0 HB2 ALA A 118 13.573 -1.566 12.961 1.00 1.20 H new ATOM 0 HB3 ALA A 118 12.268 -0.608 12.223 1.00 1.20 H new ATOM 1762 N GLU A 119 10.201 -3.891 11.490 1.00 0.92 N ATOM 1763 CA GLU A 119 8.765 -4.056 11.318 1.00 0.99 C ATOM 1764 C GLU A 119 8.059 -3.583 12.591 1.00 0.96 C ATOM 1765 O GLU A 119 7.797 -4.400 13.468 1.00 1.44 O ATOM 1766 CB GLU A 119 8.433 -5.534 11.020 1.00 1.40 C ATOM 1767 CG GLU A 119 6.951 -5.729 10.638 1.00 1.70 C ATOM 1768 CD GLU A 119 6.457 -7.167 10.765 1.00 2.48 C ATOM 1769 OE1 GLU A 119 7.310 -8.058 10.960 1.00 3.07 O ATOM 1770 OE2 GLU A 119 5.221 -7.344 10.666 1.00 3.27 O ATOM 0 H GLU A 119 10.665 -4.720 11.860 1.00 0.92 H new ATOM 0 HA GLU A 119 8.419 -3.459 10.474 1.00 0.99 H new ATOM 0 HB2 GLU A 119 9.066 -5.891 10.208 1.00 1.40 H new ATOM 0 HB3 GLU A 119 8.664 -6.141 11.895 1.00 1.40 H new ATOM 0 HG2 GLU A 119 6.337 -5.088 11.271 1.00 1.70 H new ATOM 0 HG3 GLU A 119 6.805 -5.396 9.610 1.00 1.70 H new ATOM 1777 N LYS A 120 7.725 -2.292 12.708 1.00 0.66 N ATOM 1778 CA LYS A 120 6.676 -1.806 13.586 1.00 0.67 C ATOM 1779 C LYS A 120 5.851 -0.767 12.848 1.00 0.66 C ATOM 1780 O LYS A 120 5.964 0.440 13.038 1.00 1.00 O ATOM 1781 CB LYS A 120 7.204 -1.346 14.943 1.00 0.95 C ATOM 1782 CG LYS A 120 7.339 -2.542 15.893 1.00 1.52 C ATOM 1783 CD LYS A 120 6.008 -3.268 16.156 1.00 1.74 C ATOM 1784 CE LYS A 120 5.798 -4.628 15.450 1.00 2.76 C ATOM 1785 NZ LYS A 120 4.682 -5.411 16.018 1.00 3.24 N ATOM 0 H LYS A 120 8.189 -1.551 12.183 1.00 0.66 H new ATOM 0 HA LYS A 120 6.011 -2.631 13.842 1.00 0.67 H new ATOM 0 HB2 LYS A 120 8.172 -0.860 14.819 1.00 0.95 H new ATOM 0 HB3 LYS A 120 6.528 -0.606 15.372 1.00 0.95 H new ATOM 0 HG2 LYS A 120 8.054 -3.250 15.474 1.00 1.52 H new ATOM 0 HG3 LYS A 120 7.750 -2.198 16.842 1.00 1.52 H new ATOM 0 HD2 LYS A 120 5.915 -3.426 17.230 1.00 1.74 H new ATOM 0 HD3 LYS A 120 5.196 -2.604 15.860 1.00 1.74 H new ATOM 0 HE2 LYS A 120 5.610 -4.455 14.390 1.00 2.76 H new ATOM 0 HE3 LYS A 120 6.716 -5.212 15.520 1.00 2.76 H new ATOM 0 HZ1 LYS A 120 4.592 -6.310 15.504 1.00 3.24 H new ATOM 0 HZ2 LYS A 120 4.869 -5.604 17.023 1.00 3.24 H new ATOM 0 HZ3 LYS A 120 3.798 -4.871 15.928 1.00 3.24 H new ATOM 1799 N GLY A 121 4.996 -1.284 11.983 1.00 0.55 N ATOM 1800 CA GLY A 121 3.999 -0.521 11.286 1.00 0.53 C ATOM 1801 C GLY A 121 2.910 -1.483 10.854 1.00 0.61 C ATOM 1802 O GLY A 121 3.026 -2.691 11.065 1.00 1.21 O ATOM 0 H GLY A 121 4.983 -2.276 11.746 1.00 0.55 H new ATOM 0 HA2 GLY A 121 3.590 0.256 11.932 1.00 0.53 H new ATOM 0 HA3 GLY A 121 4.434 -0.021 10.421 1.00 0.53 H new ATOM 1806 N SER A 122 1.869 -0.941 10.243 1.00 0.47 N ATOM 1807 CA SER A 122 0.782 -1.694 9.655 1.00 0.47 C ATOM 1808 C SER A 122 0.194 -0.869 8.516 1.00 0.40 C ATOM 1809 O SER A 122 0.476 0.324 8.424 1.00 0.65 O ATOM 1810 CB SER A 122 -0.233 -2.035 10.748 1.00 0.66 C ATOM 1811 OG SER A 122 -0.856 -0.888 11.293 1.00 0.93 O ATOM 0 H SER A 122 1.757 0.068 10.141 1.00 0.47 H new ATOM 0 HA SER A 122 1.119 -2.641 9.233 1.00 0.47 H new ATOM 0 HB2 SER A 122 -0.995 -2.696 10.336 1.00 0.66 H new ATOM 0 HB3 SER A 122 0.268 -2.584 11.545 1.00 0.66 H new ATOM 0 HG SER A 122 -0.351 -0.582 12.075 1.00 0.93 H new ATOM 1817 N TYR A 123 -0.575 -1.481 7.617 1.00 0.46 N ATOM 1818 CA TYR A 123 -1.112 -0.789 6.460 1.00 0.47 C ATOM 1819 C TYR A 123 -2.481 -1.351 6.098 1.00 0.46 C ATOM 1820 O TYR A 123 -2.683 -2.563 6.157 1.00 0.57 O ATOM 1821 CB TYR A 123 -0.103 -0.889 5.312 1.00 0.86 C ATOM 1822 CG TYR A 123 -0.570 -0.505 3.922 1.00 0.66 C ATOM 1823 CD1 TYR A 123 -1.227 0.719 3.698 1.00 2.13 C ATOM 1824 CD2 TYR A 123 -0.132 -1.267 2.824 1.00 1.49 C ATOM 1825 CE1 TYR A 123 -1.346 1.228 2.395 1.00 2.86 C ATOM 1826 CE2 TYR A 123 -0.246 -0.753 1.524 1.00 1.69 C ATOM 1827 CZ TYR A 123 -0.777 0.528 1.317 1.00 2.18 C ATOM 1828 OH TYR A 123 -0.729 1.079 0.072 1.00 3.03 O ATOM 0 H TYR A 123 -0.839 -2.465 7.674 1.00 0.46 H new ATOM 0 HA TYR A 123 -1.263 0.268 6.680 1.00 0.47 H new ATOM 0 HB2 TYR A 123 0.752 -0.261 5.563 1.00 0.86 H new ATOM 0 HB3 TYR A 123 0.257 -1.917 5.272 1.00 0.86 H new ATOM 0 HD1 TYR A 123 -1.641 1.268 4.531 1.00 2.13 H new ATOM 0 HD2 TYR A 123 0.292 -2.248 2.982 1.00 1.49 H new ATOM 0 HE1 TYR A 123 -1.873 2.155 2.221 1.00 2.86 H new ATOM 0 HE2 TYR A 123 0.076 -1.345 0.680 1.00 1.69 H new ATOM 0 HH TYR A 123 -0.300 0.452 -0.547 1.00 3.03 H new ATOM 1838 N SER A 124 -3.410 -0.461 5.735 1.00 0.54 N ATOM 1839 CA SER A 124 -4.766 -0.768 5.336 1.00 0.75 C ATOM 1840 C SER A 124 -4.917 -0.130 3.962 1.00 0.63 C ATOM 1841 O SER A 124 -4.812 1.094 3.855 1.00 0.66 O ATOM 1842 CB SER A 124 -5.741 -0.168 6.358 1.00 1.04 C ATOM 1843 OG SER A 124 -7.078 -0.519 6.053 1.00 1.88 O ATOM 0 H SER A 124 -3.216 0.540 5.714 1.00 0.54 H new ATOM 0 HA SER A 124 -4.978 -1.836 5.295 1.00 0.75 H new ATOM 0 HB2 SER A 124 -5.488 -0.521 7.358 1.00 1.04 H new ATOM 0 HB3 SER A 124 -5.640 0.917 6.368 1.00 1.04 H new ATOM 0 HG SER A 124 -7.680 -0.126 6.720 1.00 1.88 H new ATOM 1849 N LEU A 125 -5.096 -0.946 2.923 1.00 0.65 N ATOM 1850 CA LEU A 125 -5.172 -0.469 1.544 1.00 0.62 C ATOM 1851 C LEU A 125 -6.461 -0.955 0.896 1.00 0.80 C ATOM 1852 O LEU A 125 -6.860 -2.093 1.110 1.00 1.14 O ATOM 1853 CB LEU A 125 -3.917 -0.940 0.801 1.00 0.73 C ATOM 1854 CG LEU A 125 -3.645 -0.308 -0.570 1.00 0.67 C ATOM 1855 CD1 LEU A 125 -4.355 -1.018 -1.712 1.00 0.80 C ATOM 1856 CD2 LEU A 125 -3.841 1.201 -0.634 1.00 0.88 C ATOM 0 H LEU A 125 -5.192 -1.957 3.015 1.00 0.65 H new ATOM 0 HA LEU A 125 -5.200 0.620 1.506 1.00 0.62 H new ATOM 0 HB2 LEU A 125 -3.054 -0.751 1.439 1.00 0.73 H new ATOM 0 HB3 LEU A 125 -3.986 -2.020 0.669 1.00 0.73 H new ATOM 0 HG LEU A 125 -2.575 -0.463 -0.709 1.00 0.67 H new ATOM 0 HD11 LEU A 125 -4.120 -0.520 -2.653 1.00 0.80 H new ATOM 0 HD12 LEU A 125 -4.023 -2.055 -1.758 1.00 0.80 H new ATOM 0 HD13 LEU A 125 -5.432 -0.988 -1.545 1.00 0.80 H new ATOM 0 HD21 LEU A 125 -3.625 1.554 -1.643 1.00 0.88 H new ATOM 0 HD22 LEU A 125 -4.872 1.445 -0.377 1.00 0.88 H new ATOM 0 HD23 LEU A 125 -3.167 1.686 0.072 1.00 0.88 H new ATOM 1868 N GLY A 126 -7.114 -0.099 0.109 1.00 0.74 N ATOM 1869 CA GLY A 126 -8.345 -0.408 -0.611 1.00 0.87 C ATOM 1870 C GLY A 126 -8.202 0.085 -2.050 1.00 0.91 C ATOM 1871 O GLY A 126 -7.511 1.075 -2.299 1.00 1.27 O ATOM 0 H GLY A 126 -6.790 0.855 -0.048 1.00 0.74 H new ATOM 0 HA2 GLY A 126 -8.534 -1.481 -0.595 1.00 0.87 H new ATOM 0 HA3 GLY A 126 -9.196 0.072 -0.129 1.00 0.87 H new ATOM 1875 N ILE A 127 -8.821 -0.623 -2.999 1.00 0.82 N ATOM 1876 CA ILE A 127 -8.676 -0.359 -4.428 1.00 0.77 C ATOM 1877 C ILE A 127 -9.952 0.287 -4.969 1.00 0.81 C ATOM 1878 O ILE A 127 -11.052 -0.093 -4.569 1.00 0.97 O ATOM 1879 CB ILE A 127 -8.315 -1.670 -5.167 1.00 0.96 C ATOM 1880 CG1 ILE A 127 -7.201 -1.455 -6.200 1.00 1.60 C ATOM 1881 CG2 ILE A 127 -9.490 -2.364 -5.868 1.00 1.42 C ATOM 1882 CD1 ILE A 127 -5.838 -1.491 -5.510 1.00 3.82 C ATOM 0 H ILE A 127 -9.443 -1.404 -2.791 1.00 0.82 H new ATOM 0 HA ILE A 127 -7.862 0.345 -4.599 1.00 0.77 H new ATOM 0 HB ILE A 127 -7.979 -2.327 -4.365 1.00 0.96 H new ATOM 0 HG12 ILE A 127 -7.250 -2.228 -6.967 1.00 1.60 H new ATOM 0 HG13 ILE A 127 -7.339 -0.498 -6.702 1.00 1.60 H new ATOM 0 HG21 ILE A 127 -9.137 -3.272 -6.357 1.00 1.42 H new ATOM 0 HG22 ILE A 127 -10.252 -2.620 -5.132 1.00 1.42 H new ATOM 0 HG23 ILE A 127 -9.916 -1.693 -6.614 1.00 1.42 H new ATOM 0 HD11 ILE A 127 -5.052 -1.338 -6.249 1.00 3.82 H new ATOM 0 HD12 ILE A 127 -5.789 -0.702 -4.759 1.00 3.82 H new ATOM 0 HD13 ILE A 127 -5.699 -2.459 -5.028 1.00 3.82 H new ATOM 1894 N PHE A 128 -9.836 1.214 -5.926 1.00 0.85 N ATOM 1895 CA PHE A 128 -10.987 1.571 -6.741 1.00 1.01 C ATOM 1896 C PHE A 128 -11.266 0.381 -7.660 1.00 1.41 C ATOM 1897 O PHE A 128 -10.723 0.282 -8.768 1.00 1.88 O ATOM 1898 CB PHE A 128 -10.752 2.883 -7.497 1.00 2.41 C ATOM 1899 CG PHE A 128 -11.949 3.527 -8.189 1.00 3.40 C ATOM 1900 CD1 PHE A 128 -13.132 2.814 -8.486 1.00 3.89 C ATOM 1901 CD2 PHE A 128 -11.861 4.885 -8.550 1.00 4.82 C ATOM 1902 CE1 PHE A 128 -14.165 3.427 -9.217 1.00 5.11 C ATOM 1903 CE2 PHE A 128 -12.893 5.496 -9.284 1.00 6.00 C ATOM 1904 CZ PHE A 128 -14.037 4.761 -9.634 1.00 5.95 C ATOM 0 H PHE A 128 -8.976 1.716 -6.147 1.00 0.85 H new ATOM 0 HA PHE A 128 -11.866 1.764 -6.125 1.00 1.01 H new ATOM 0 HB2 PHE A 128 -10.342 3.607 -6.793 1.00 2.41 H new ATOM 0 HB3 PHE A 128 -9.986 2.703 -8.251 1.00 2.41 H new ATOM 0 HD1 PHE A 128 -13.243 1.794 -8.150 1.00 3.89 H new ATOM 0 HD2 PHE A 128 -10.995 5.462 -8.261 1.00 4.82 H new ATOM 0 HE1 PHE A 128 -15.059 2.870 -9.458 1.00 5.11 H new ATOM 0 HE2 PHE A 128 -12.806 6.531 -9.579 1.00 6.00 H new ATOM 0 HZ PHE A 128 -14.817 5.221 -10.223 1.00 5.95 H new ATOM 1914 N GLY A 129 -12.123 -0.516 -7.160 1.00 2.29 N ATOM 1915 CA GLY A 129 -12.699 -1.639 -7.879 1.00 3.57 C ATOM 1916 C GLY A 129 -13.478 -1.144 -9.095 1.00 2.41 C ATOM 1917 O GLY A 129 -14.705 -1.013 -9.057 1.00 3.00 O ATOM 0 H GLY A 129 -12.445 -0.469 -6.193 1.00 2.29 H new ATOM 0 HA2 GLY A 129 -11.910 -2.320 -8.197 1.00 3.57 H new ATOM 0 HA3 GLY A 129 -13.360 -2.202 -7.220 1.00 3.57 H new ATOM 1921 N GLY A 130 -12.729 -0.804 -10.142 1.00 1.51 N ATOM 1922 CA GLY A 130 -13.211 -0.398 -11.448 1.00 1.75 C ATOM 1923 C GLY A 130 -12.114 -0.705 -12.465 1.00 1.86 C ATOM 1924 O GLY A 130 -12.334 -1.481 -13.388 1.00 2.55 O ATOM 0 H GLY A 130 -11.710 -0.807 -10.092 1.00 1.51 H new ATOM 0 HA2 GLY A 130 -14.127 -0.932 -11.701 1.00 1.75 H new ATOM 0 HA3 GLY A 130 -13.451 0.665 -11.453 1.00 1.75 H new ATOM 1928 N LYS A 131 -10.911 -0.148 -12.255 1.00 1.75 N ATOM 1929 CA LYS A 131 -9.711 -0.622 -12.948 1.00 1.83 C ATOM 1930 C LYS A 131 -8.418 -0.368 -12.162 1.00 1.73 C ATOM 1931 O LYS A 131 -7.365 -0.151 -12.757 1.00 2.07 O ATOM 1932 CB LYS A 131 -9.659 -0.112 -14.403 1.00 2.16 C ATOM 1933 CG LYS A 131 -9.469 1.405 -14.510 1.00 2.39 C ATOM 1934 CD LYS A 131 -9.611 1.887 -15.960 1.00 2.51 C ATOM 1935 CE LYS A 131 -9.391 3.406 -16.082 1.00 3.17 C ATOM 1936 NZ LYS A 131 -7.964 3.791 -16.033 1.00 4.38 N ATOM 0 H LYS A 131 -10.747 0.628 -11.613 1.00 1.75 H new ATOM 0 HA LYS A 131 -9.787 -1.708 -13.004 1.00 1.83 H new ATOM 0 HB2 LYS A 131 -8.843 -0.611 -14.926 1.00 2.16 H new ATOM 0 HB3 LYS A 131 -10.582 -0.392 -14.911 1.00 2.16 H new ATOM 0 HG2 LYS A 131 -10.204 1.910 -13.884 1.00 2.39 H new ATOM 0 HG3 LYS A 131 -8.485 1.678 -14.129 1.00 2.39 H new ATOM 0 HD2 LYS A 131 -8.891 1.364 -16.589 1.00 2.51 H new ATOM 0 HD3 LYS A 131 -10.603 1.632 -16.332 1.00 2.51 H new ATOM 0 HE2 LYS A 131 -9.824 3.756 -17.019 1.00 3.17 H new ATOM 0 HE3 LYS A 131 -9.925 3.910 -15.277 1.00 3.17 H new ATOM 0 HZ1 LYS A 131 -7.880 4.772 -15.698 1.00 4.38 H new ATOM 0 HZ2 LYS A 131 -7.456 3.159 -15.382 1.00 4.38 H new ATOM 0 HZ3 LYS A 131 -7.551 3.713 -16.984 1.00 4.38 H new ATOM 1950 N ALA A 132 -8.492 -0.372 -10.824 1.00 1.44 N ATOM 1951 CA ALA A 132 -7.380 -0.027 -9.935 1.00 1.41 C ATOM 1952 C ALA A 132 -6.863 1.381 -10.251 1.00 1.56 C ATOM 1953 O ALA A 132 -5.682 1.688 -10.106 1.00 2.37 O ATOM 1954 CB ALA A 132 -6.279 -1.093 -9.982 1.00 1.57 C ATOM 0 H ALA A 132 -9.344 -0.620 -10.322 1.00 1.44 H new ATOM 0 HA ALA A 132 -7.741 -0.012 -8.907 1.00 1.41 H new ATOM 0 HB1 ALA A 132 -5.468 -0.808 -9.312 1.00 1.57 H new ATOM 0 HB2 ALA A 132 -6.689 -2.053 -9.668 1.00 1.57 H new ATOM 0 HB3 ALA A 132 -5.897 -1.176 -10.999 1.00 1.57 H new ATOM 1960 N GLN A 133 -7.795 2.219 -10.710 1.00 1.17 N ATOM 1961 CA GLN A 133 -7.560 3.538 -11.273 1.00 1.32 C ATOM 1962 C GLN A 133 -7.035 4.494 -10.224 1.00 1.19 C ATOM 1963 O GLN A 133 -6.125 5.270 -10.500 1.00 1.31 O ATOM 1964 CB GLN A 133 -8.789 4.067 -12.015 1.00 1.63 C ATOM 1965 CG GLN A 133 -10.092 4.042 -11.212 1.00 1.52 C ATOM 1966 CD GLN A 133 -11.291 3.859 -12.130 1.00 1.61 C ATOM 1967 OE1 GLN A 133 -11.382 4.471 -13.189 1.00 1.82 O ATOM 1968 NE2 GLN A 133 -12.176 2.941 -11.768 1.00 2.53 N ATOM 0 H GLN A 133 -8.786 1.976 -10.695 1.00 1.17 H new ATOM 0 HA GLN A 133 -6.778 3.450 -12.027 1.00 1.32 H new ATOM 0 HB2 GLN A 133 -8.592 5.093 -12.327 1.00 1.63 H new ATOM 0 HB3 GLN A 133 -8.928 3.479 -12.922 1.00 1.63 H new ATOM 0 HG2 GLN A 133 -10.060 3.232 -10.483 1.00 1.52 H new ATOM 0 HG3 GLN A 133 -10.196 4.971 -10.651 1.00 1.52 H new ATOM 0 HE21 GLN A 133 -12.069 2.452 -10.880 1.00 2.53 H new ATOM 0 HE22 GLN A 133 -12.964 2.724 -12.378 1.00 2.53 H new ATOM 1977 N GLU A 134 -7.590 4.381 -9.027 1.00 1.09 N ATOM 1978 CA GLU A 134 -7.040 4.951 -7.825 1.00 1.12 C ATOM 1979 C GLU A 134 -7.006 3.812 -6.813 1.00 1.01 C ATOM 1980 O GLU A 134 -7.775 2.857 -6.922 1.00 1.40 O ATOM 1981 CB GLU A 134 -7.908 6.133 -7.367 1.00 1.31 C ATOM 1982 CG GLU A 134 -8.092 7.142 -8.515 1.00 1.51 C ATOM 1983 CD GLU A 134 -8.745 8.427 -8.033 1.00 1.88 C ATOM 1984 OE1 GLU A 134 -8.060 9.474 -8.089 1.00 3.03 O ATOM 1985 OE2 GLU A 134 -9.925 8.351 -7.630 1.00 2.18 O ATOM 0 H GLU A 134 -8.461 3.874 -8.870 1.00 1.09 H new ATOM 0 HA GLU A 134 -6.038 5.356 -7.963 1.00 1.12 H new ATOM 0 HB2 GLU A 134 -8.880 5.770 -7.034 1.00 1.31 H new ATOM 0 HB3 GLU A 134 -7.442 6.625 -6.513 1.00 1.31 H new ATOM 0 HG2 GLU A 134 -7.123 7.370 -8.958 1.00 1.51 H new ATOM 0 HG3 GLU A 134 -8.703 6.695 -9.299 1.00 1.51 H new ATOM 1992 N VAL A 135 -6.114 3.930 -5.829 1.00 0.75 N ATOM 1993 CA VAL A 135 -6.186 3.159 -4.603 1.00 0.64 C ATOM 1994 C VAL A 135 -6.284 4.211 -3.508 1.00 0.83 C ATOM 1995 O VAL A 135 -5.829 5.337 -3.725 1.00 1.37 O ATOM 1996 CB VAL A 135 -4.981 2.208 -4.445 1.00 0.65 C ATOM 1997 CG1 VAL A 135 -4.625 1.526 -5.771 1.00 0.95 C ATOM 1998 CG2 VAL A 135 -3.720 2.891 -3.914 1.00 1.01 C ATOM 0 H VAL A 135 -5.320 4.569 -5.867 1.00 0.75 H new ATOM 0 HA VAL A 135 -7.040 2.482 -4.577 1.00 0.64 H new ATOM 0 HB VAL A 135 -5.309 1.474 -3.709 1.00 0.65 H new ATOM 0 HG11 VAL A 135 -3.772 0.864 -5.622 1.00 0.95 H new ATOM 0 HG12 VAL A 135 -5.478 0.946 -6.122 1.00 0.95 H new ATOM 0 HG13 VAL A 135 -4.371 2.283 -6.513 1.00 0.95 H new ATOM 0 HG21 VAL A 135 -2.917 2.158 -3.830 1.00 1.01 H new ATOM 0 HG22 VAL A 135 -3.419 3.683 -4.600 1.00 1.01 H new ATOM 0 HG23 VAL A 135 -3.924 3.319 -2.933 1.00 1.01 H new ATOM 2008 N ALA A 136 -6.888 3.862 -2.378 1.00 0.72 N ATOM 2009 CA ALA A 136 -7.029 4.720 -1.214 1.00 0.83 C ATOM 2010 C ALA A 136 -6.478 3.927 -0.039 1.00 0.88 C ATOM 2011 O ALA A 136 -6.821 2.754 0.111 1.00 0.90 O ATOM 2012 CB ALA A 136 -8.503 5.074 -1.011 1.00 0.91 C ATOM 0 H ALA A 136 -7.307 2.941 -2.245 1.00 0.72 H new ATOM 0 HA ALA A 136 -6.490 5.661 -1.325 1.00 0.83 H new ATOM 0 HB1 ALA A 136 -8.606 5.718 -0.137 1.00 0.91 H new ATOM 0 HB2 ALA A 136 -8.877 5.596 -1.892 1.00 0.91 H new ATOM 0 HB3 ALA A 136 -9.079 4.161 -0.859 1.00 0.91 H new ATOM 2018 N GLY A 137 -5.582 4.527 0.748 1.00 0.93 N ATOM 2019 CA GLY A 137 -4.862 3.776 1.760 1.00 1.04 C ATOM 2020 C GLY A 137 -4.601 4.589 3.012 1.00 0.86 C ATOM 2021 O GLY A 137 -4.671 5.818 3.012 1.00 0.89 O ATOM 0 H GLY A 137 -5.345 5.518 0.700 1.00 0.93 H new ATOM 0 HA2 GLY A 137 -5.433 2.886 2.022 1.00 1.04 H new ATOM 0 HA3 GLY A 137 -3.912 3.435 1.348 1.00 1.04 H new ATOM 2025 N SER A 138 -4.276 3.885 4.090 1.00 0.73 N ATOM 2026 CA SER A 138 -3.810 4.470 5.329 1.00 0.62 C ATOM 2027 C SER A 138 -2.830 3.486 5.955 1.00 0.56 C ATOM 2028 O SER A 138 -3.228 2.373 6.305 1.00 0.80 O ATOM 2029 CB SER A 138 -5.002 4.775 6.237 1.00 0.77 C ATOM 2030 OG SER A 138 -5.774 5.814 5.666 1.00 1.62 O ATOM 0 H SER A 138 -4.333 2.867 4.121 1.00 0.73 H new ATOM 0 HA SER A 138 -3.299 5.419 5.163 1.00 0.62 H new ATOM 0 HB2 SER A 138 -5.613 3.882 6.366 1.00 0.77 H new ATOM 0 HB3 SER A 138 -4.653 5.068 7.227 1.00 0.77 H new ATOM 0 HG SER A 138 -5.414 6.042 4.783 1.00 1.62 H new ATOM 2036 N ALA A 139 -1.554 3.875 6.050 1.00 0.53 N ATOM 2037 CA ALA A 139 -0.553 3.119 6.788 1.00 0.52 C ATOM 2038 C ALA A 139 -0.148 3.817 8.074 1.00 0.63 C ATOM 2039 O ALA A 139 -0.425 4.998 8.271 1.00 0.67 O ATOM 2040 CB ALA A 139 0.675 2.817 5.920 1.00 0.74 C ATOM 0 H ALA A 139 -1.192 4.724 5.615 1.00 0.53 H new ATOM 0 HA ALA A 139 -1.014 2.170 7.062 1.00 0.52 H new ATOM 0 HB1 ALA A 139 1.402 2.251 6.503 1.00 0.74 H new ATOM 0 HB2 ALA A 139 0.372 2.232 5.052 1.00 0.74 H new ATOM 0 HB3 ALA A 139 1.125 3.753 5.588 1.00 0.74 H new ATOM 2046 N GLU A 140 0.538 3.063 8.927 1.00 0.91 N ATOM 2047 CA GLU A 140 1.365 3.585 10.001 1.00 1.25 C ATOM 2048 C GLU A 140 2.698 2.841 10.019 1.00 1.30 C ATOM 2049 O GLU A 140 2.763 1.662 9.679 1.00 1.72 O ATOM 2050 CB GLU A 140 0.653 3.495 11.357 1.00 1.46 C ATOM 2051 CG GLU A 140 0.021 2.116 11.565 1.00 1.72 C ATOM 2052 CD GLU A 140 -0.031 1.709 13.026 1.00 2.26 C ATOM 2053 OE1 GLU A 140 -0.362 2.594 13.851 1.00 2.35 O ATOM 2054 OE2 GLU A 140 0.269 0.524 13.283 1.00 3.52 O ATOM 0 H GLU A 140 0.531 2.044 8.886 1.00 0.91 H new ATOM 0 HA GLU A 140 1.552 4.643 9.818 1.00 1.25 H new ATOM 0 HB2 GLU A 140 1.365 3.695 12.158 1.00 1.46 H new ATOM 0 HB3 GLU A 140 -0.118 4.263 11.417 1.00 1.46 H new ATOM 0 HG2 GLU A 140 -0.990 2.119 11.157 1.00 1.72 H new ATOM 0 HG3 GLU A 140 0.589 1.373 11.005 1.00 1.72 H new ATOM 2061 N VAL A 141 3.760 3.541 10.410 1.00 1.21 N ATOM 2062 CA VAL A 141 5.128 3.050 10.465 1.00 1.28 C ATOM 2063 C VAL A 141 5.752 3.673 11.715 1.00 1.46 C ATOM 2064 O VAL A 141 6.559 4.592 11.635 1.00 2.48 O ATOM 2065 CB VAL A 141 5.877 3.467 9.190 1.00 1.27 C ATOM 2066 CG1 VAL A 141 7.281 2.849 9.159 1.00 2.27 C ATOM 2067 CG2 VAL A 141 5.155 3.122 7.881 1.00 2.04 C ATOM 0 H VAL A 141 3.683 4.513 10.711 1.00 1.21 H new ATOM 0 HA VAL A 141 5.176 1.962 10.519 1.00 1.28 H new ATOM 0 HB VAL A 141 5.929 4.554 9.243 1.00 1.27 H new ATOM 0 HG11 VAL A 141 7.794 3.157 8.248 1.00 2.27 H new ATOM 0 HG12 VAL A 141 7.847 3.188 10.027 1.00 2.27 H new ATOM 0 HG13 VAL A 141 7.201 1.762 9.180 1.00 2.27 H new ATOM 0 HG21 VAL A 141 5.757 3.453 7.035 1.00 2.04 H new ATOM 0 HG22 VAL A 141 5.007 2.044 7.821 1.00 2.04 H new ATOM 0 HG23 VAL A 141 4.188 3.623 7.856 1.00 2.04 H new ATOM 2077 N LYS A 142 5.329 3.214 12.889 1.00 0.79 N ATOM 2078 CA LYS A 142 5.680 3.878 14.133 1.00 0.87 C ATOM 2079 C LYS A 142 7.084 3.455 14.564 1.00 1.03 C ATOM 2080 O LYS A 142 7.323 2.281 14.835 1.00 1.28 O ATOM 2081 CB LYS A 142 4.612 3.622 15.212 1.00 0.94 C ATOM 2082 CG LYS A 142 4.652 2.193 15.775 1.00 1.09 C ATOM 2083 CD LYS A 142 3.366 1.779 16.510 1.00 1.34 C ATOM 2084 CE LYS A 142 3.380 2.104 18.012 1.00 2.60 C ATOM 2085 NZ LYS A 142 3.591 3.538 18.287 1.00 3.61 N ATOM 0 H LYS A 142 4.744 2.386 13.002 1.00 0.79 H new ATOM 0 HA LYS A 142 5.700 4.957 13.981 1.00 0.87 H new ATOM 0 HB2 LYS A 142 4.752 4.331 16.028 1.00 0.94 H new ATOM 0 HB3 LYS A 142 3.625 3.812 14.790 1.00 0.94 H new ATOM 0 HG2 LYS A 142 4.833 1.495 14.957 1.00 1.09 H new ATOM 0 HG3 LYS A 142 5.495 2.106 16.460 1.00 1.09 H new ATOM 0 HD2 LYS A 142 2.516 2.280 16.047 1.00 1.34 H new ATOM 0 HD3 LYS A 142 3.213 0.708 16.381 1.00 1.34 H new ATOM 0 HE2 LYS A 142 2.435 1.789 18.456 1.00 2.60 H new ATOM 0 HE3 LYS A 142 4.168 1.527 18.496 1.00 2.60 H new ATOM 0 HZ1 LYS A 142 3.342 3.742 19.276 1.00 3.61 H new ATOM 0 HZ2 LYS A 142 4.589 3.779 18.124 1.00 3.61 H new ATOM 0 HZ3 LYS A 142 2.990 4.105 17.655 1.00 3.61 H new ATOM 2099 N THR A 143 8.008 4.404 14.683 1.00 1.14 N ATOM 2100 CA THR A 143 9.268 4.145 15.367 1.00 1.42 C ATOM 2101 C THR A 143 9.595 5.367 16.216 1.00 1.53 C ATOM 2102 O THR A 143 8.807 6.314 16.262 1.00 1.50 O ATOM 2103 CB THR A 143 10.401 3.815 14.379 1.00 1.64 C ATOM 2104 OG1 THR A 143 10.889 4.988 13.762 1.00 2.18 O ATOM 2105 CG2 THR A 143 10.003 2.772 13.332 1.00 1.97 C ATOM 0 H THR A 143 7.908 5.351 14.318 1.00 1.14 H new ATOM 0 HA THR A 143 9.169 3.266 16.004 1.00 1.42 H new ATOM 0 HB THR A 143 11.202 3.368 14.968 1.00 1.64 H new ATOM 0 HG1 THR A 143 11.377 4.750 12.946 1.00 2.18 H new ATOM 0 HG21 THR A 143 10.846 2.584 12.667 1.00 1.97 H new ATOM 0 HG22 THR A 143 9.721 1.845 13.831 1.00 1.97 H new ATOM 0 HG23 THR A 143 9.158 3.143 12.752 1.00 1.97 H new ATOM 2113 N VAL A 144 10.783 5.374 16.825 1.00 1.72 N ATOM 2114 CA VAL A 144 11.350 6.557 17.455 1.00 1.87 C ATOM 2115 C VAL A 144 11.320 7.744 16.481 1.00 1.78 C ATOM 2116 O VAL A 144 11.167 8.881 16.917 1.00 1.84 O ATOM 2117 CB VAL A 144 12.778 6.251 17.950 1.00 2.16 C ATOM 2118 CG1 VAL A 144 13.377 7.446 18.705 1.00 2.63 C ATOM 2119 CG2 VAL A 144 12.795 5.039 18.894 1.00 2.71 C ATOM 0 H VAL A 144 11.379 4.549 16.892 1.00 1.72 H new ATOM 0 HA VAL A 144 10.750 6.834 18.322 1.00 1.87 H new ATOM 0 HB VAL A 144 13.372 6.038 17.061 1.00 2.16 H new ATOM 0 HG11 VAL A 144 14.384 7.197 19.040 1.00 2.63 H new ATOM 0 HG12 VAL A 144 13.419 8.311 18.043 1.00 2.63 H new ATOM 0 HG13 VAL A 144 12.754 7.680 19.569 1.00 2.63 H new ATOM 0 HG21 VAL A 144 13.816 4.850 19.225 1.00 2.71 H new ATOM 0 HG22 VAL A 144 12.165 5.243 19.760 1.00 2.71 H new ATOM 0 HG23 VAL A 144 12.416 4.163 18.368 1.00 2.71 H new ATOM 2129 N ASN A 145 11.443 7.490 15.168 1.00 1.71 N ATOM 2130 CA ASN A 145 11.343 8.541 14.157 1.00 1.72 C ATOM 2131 C ASN A 145 10.564 7.986 12.971 1.00 1.56 C ATOM 2132 O ASN A 145 11.031 8.012 11.836 1.00 1.78 O ATOM 2133 CB ASN A 145 12.742 9.006 13.706 1.00 2.14 C ATOM 2134 CG ASN A 145 13.669 9.340 14.866 1.00 2.95 C ATOM 2135 OD1 ASN A 145 13.761 10.483 15.300 1.00 3.86 O ATOM 2136 ND2 ASN A 145 14.372 8.332 15.376 1.00 3.17 N ATOM 0 H ASN A 145 11.613 6.559 14.786 1.00 1.71 H new ATOM 0 HA ASN A 145 10.829 9.406 14.577 1.00 1.72 H new ATOM 0 HB2 ASN A 145 13.199 8.224 13.099 1.00 2.14 H new ATOM 0 HB3 ASN A 145 12.637 9.884 13.069 1.00 2.14 H new ATOM 0 HD21 ASN A 145 15.012 8.498 16.153 1.00 3.17 H new ATOM 0 HD22 ASN A 145 14.271 7.393 14.990 1.00 3.17 H new ATOM 2143 N GLY A 146 9.348 7.502 13.230 1.00 1.28 N ATOM 2144 CA GLY A 146 8.541 6.821 12.239 1.00 1.29 C ATOM 2145 C GLY A 146 7.126 7.365 12.305 1.00 1.06 C ATOM 2146 O GLY A 146 6.547 7.477 13.386 1.00 1.04 O ATOM 0 H GLY A 146 8.900 7.577 14.143 1.00 1.28 H new ATOM 0 HA2 GLY A 146 8.958 6.973 11.243 1.00 1.29 H new ATOM 0 HA3 GLY A 146 8.542 5.747 12.425 1.00 1.29 H new ATOM 2150 N ILE A 147 6.590 7.715 11.140 1.00 1.02 N ATOM 2151 CA ILE A 147 5.319 8.374 10.980 1.00 1.03 C ATOM 2152 C ILE A 147 4.200 7.350 11.152 1.00 1.29 C ATOM 2153 O ILE A 147 4.271 6.246 10.617 1.00 2.22 O ATOM 2154 CB ILE A 147 5.272 9.054 9.587 1.00 1.24 C ATOM 2155 CG1 ILE A 147 5.742 8.173 8.406 1.00 1.85 C ATOM 2156 CG2 ILE A 147 5.989 10.408 9.641 1.00 1.63 C ATOM 2157 CD1 ILE A 147 7.230 8.182 8.029 1.00 1.75 C ATOM 0 H ILE A 147 7.057 7.535 10.251 1.00 1.02 H new ATOM 0 HA ILE A 147 5.186 9.147 11.736 1.00 1.03 H new ATOM 0 HB ILE A 147 4.218 9.218 9.364 1.00 1.24 H new ATOM 0 HG12 ILE A 147 5.464 7.143 8.630 1.00 1.85 H new ATOM 0 HG13 ILE A 147 5.175 8.472 7.524 1.00 1.85 H new ATOM 0 HG21 ILE A 147 5.951 10.879 8.659 1.00 1.63 H new ATOM 0 HG22 ILE A 147 5.497 11.051 10.371 1.00 1.63 H new ATOM 0 HG23 ILE A 147 7.029 10.258 9.932 1.00 1.63 H new ATOM 0 HD11 ILE A 147 7.395 7.514 7.184 1.00 1.75 H new ATOM 0 HD12 ILE A 147 7.530 9.194 7.756 1.00 1.75 H new ATOM 0 HD13 ILE A 147 7.823 7.844 8.879 1.00 1.75 H new ATOM 2169 N ARG A 148 3.151 7.709 11.901 1.00 0.74 N ATOM 2170 CA ARG A 148 1.907 6.964 11.825 1.00 0.76 C ATOM 2171 C ARG A 148 1.195 7.354 10.531 1.00 0.93 C ATOM 2172 O ARG A 148 1.715 7.053 9.467 1.00 1.91 O ATOM 2173 CB ARG A 148 1.057 7.107 13.093 1.00 0.93 C ATOM 2174 CG ARG A 148 1.685 6.320 14.255 1.00 1.37 C ATOM 2175 CD ARG A 148 0.660 5.994 15.350 1.00 1.56 C ATOM 2176 NE ARG A 148 -0.359 5.043 14.859 1.00 1.99 N ATOM 2177 CZ ARG A 148 -1.596 5.324 14.421 1.00 2.22 C ATOM 2178 NH1 ARG A 148 -2.121 6.544 14.574 1.00 2.24 N ATOM 2179 NH2 ARG A 148 -2.278 4.369 13.791 1.00 3.13 N ATOM 0 H ARG A 148 3.145 8.495 12.551 1.00 0.74 H new ATOM 0 HA ARG A 148 2.110 5.894 11.785 1.00 0.76 H new ATOM 0 HB2 ARG A 148 0.971 8.159 13.363 1.00 0.93 H new ATOM 0 HB3 ARG A 148 0.047 6.743 12.904 1.00 0.93 H new ATOM 0 HG2 ARG A 148 2.116 5.394 13.874 1.00 1.37 H new ATOM 0 HG3 ARG A 148 2.503 6.899 14.685 1.00 1.37 H new ATOM 0 HD2 ARG A 148 1.170 5.571 16.215 1.00 1.56 H new ATOM 0 HD3 ARG A 148 0.175 6.912 15.683 1.00 1.56 H new ATOM 0 HE ARG A 148 -0.091 4.059 14.852 1.00 1.99 H new ATOM 0 HH11 ARG A 148 -1.580 7.279 15.030 1.00 2.24 H new ATOM 0 HH12 ARG A 148 -3.063 6.740 14.235 1.00 2.24 H new ATOM 0 HH21 ARG A 148 -1.858 3.450 13.651 1.00 3.13 H new ATOM 0 HH22 ARG A 148 -3.220 4.557 13.448 1.00 3.13 H new ATOM 2193 N HIS A 149 0.029 8.004 10.606 1.00 0.91 N ATOM 2194 CA HIS A 149 -0.892 8.151 9.483 1.00 1.12 C ATOM 2195 C HIS A 149 -0.202 8.557 8.175 1.00 0.99 C ATOM 2196 O HIS A 149 0.064 9.736 7.952 1.00 1.02 O ATOM 2197 CB HIS A 149 -2.007 9.141 9.852 1.00 1.41 C ATOM 2198 CG HIS A 149 -2.820 8.757 11.069 1.00 1.63 C ATOM 2199 ND1 HIS A 149 -3.510 9.631 11.878 1.00 1.93 N ATOM 2200 CD2 HIS A 149 -3.013 7.495 11.570 1.00 2.47 C ATOM 2201 CE1 HIS A 149 -4.092 8.909 12.853 1.00 2.04 C ATOM 2202 NE2 HIS A 149 -3.801 7.602 12.722 1.00 2.26 N ATOM 0 H HIS A 149 -0.303 8.448 11.462 1.00 0.91 H new ATOM 0 HA HIS A 149 -1.323 7.168 9.293 1.00 1.12 H new ATOM 0 HB2 HIS A 149 -1.561 10.121 10.025 1.00 1.41 H new ATOM 0 HB3 HIS A 149 -2.680 9.243 9.000 1.00 1.41 H new ATOM 0 HD1 HIS A 149 -3.569 10.642 11.760 1.00 1.93 H new ATOM 0 HD2 HIS A 149 -2.625 6.579 11.149 1.00 2.47 H new ATOM 0 HE1 HIS A 149 -4.710 9.323 13.636 1.00 2.04 H new ATOM 2210 N ILE A 150 0.047 7.574 7.306 1.00 0.98 N ATOM 2211 CA ILE A 150 0.376 7.753 5.906 1.00 0.91 C ATOM 2212 C ILE A 150 -0.936 7.560 5.152 1.00 0.92 C ATOM 2213 O ILE A 150 -1.214 6.472 4.647 1.00 1.45 O ATOM 2214 CB ILE A 150 1.473 6.769 5.445 1.00 0.98 C ATOM 2215 CG1 ILE A 150 2.623 6.650 6.462 1.00 1.20 C ATOM 2216 CG2 ILE A 150 1.999 7.199 4.072 1.00 1.29 C ATOM 2217 CD1 ILE A 150 3.866 5.941 5.913 1.00 1.33 C ATOM 0 H ILE A 150 0.021 6.592 7.580 1.00 0.98 H new ATOM 0 HA ILE A 150 0.795 8.741 5.713 1.00 0.91 H new ATOM 0 HB ILE A 150 1.025 5.778 5.371 1.00 0.98 H new ATOM 0 HG12 ILE A 150 2.904 7.649 6.796 1.00 1.20 H new ATOM 0 HG13 ILE A 150 2.266 6.109 7.338 1.00 1.20 H new ATOM 0 HG21 ILE A 150 2.774 6.505 3.745 1.00 1.29 H new ATOM 0 HG22 ILE A 150 1.181 7.195 3.351 1.00 1.29 H new ATOM 0 HG23 ILE A 150 2.417 8.203 4.141 1.00 1.29 H new ATOM 0 HD11 ILE A 150 4.631 5.896 6.688 1.00 1.33 H new ATOM 0 HD12 ILE A 150 3.602 4.929 5.605 1.00 1.33 H new ATOM 0 HD13 ILE A 150 4.250 6.492 5.055 1.00 1.33 H new ATOM 2229 N GLY A 151 -1.765 8.606 5.139 1.00 0.95 N ATOM 2230 CA GLY A 151 -3.023 8.615 4.412 1.00 1.15 C ATOM 2231 C GLY A 151 -2.694 8.873 2.949 1.00 1.05 C ATOM 2232 O GLY A 151 -2.166 9.937 2.632 1.00 1.78 O ATOM 0 H GLY A 151 -1.575 9.475 5.639 1.00 0.95 H new ATOM 0 HA2 GLY A 151 -3.541 7.663 4.528 1.00 1.15 H new ATOM 0 HA3 GLY A 151 -3.686 9.388 4.800 1.00 1.15 H new ATOM 2236 N LEU A 152 -2.939 7.892 2.076 1.00 0.77 N ATOM 2237 CA LEU A 152 -2.417 7.901 0.716 1.00 1.35 C ATOM 2238 C LEU A 152 -3.509 7.700 -0.320 1.00 0.91 C ATOM 2239 O LEU A 152 -4.588 7.186 -0.014 1.00 0.78 O ATOM 2240 CB LEU A 152 -1.292 6.868 0.580 1.00 2.12 C ATOM 2241 CG LEU A 152 -1.681 5.384 0.625 1.00 1.31 C ATOM 2242 CD1 LEU A 152 -2.296 4.872 -0.691 1.00 0.93 C ATOM 2243 CD2 LEU A 152 -0.391 4.600 0.883 1.00 0.86 C ATOM 0 H LEU A 152 -3.505 7.072 2.296 1.00 0.77 H new ATOM 0 HA LEU A 152 -1.999 8.888 0.518 1.00 1.35 H new ATOM 0 HB2 LEU A 152 -0.779 7.052 -0.364 1.00 2.12 H new ATOM 0 HB3 LEU A 152 -0.570 7.050 1.376 1.00 2.12 H new ATOM 0 HG LEU A 152 -2.436 5.251 1.400 1.00 1.31 H new ATOM 0 HD11 LEU A 152 -2.547 3.816 -0.589 1.00 0.93 H new ATOM 0 HD12 LEU A 152 -3.199 5.440 -0.916 1.00 0.93 H new ATOM 0 HD13 LEU A 152 -1.578 4.997 -1.501 1.00 0.93 H new ATOM 0 HD21 LEU A 152 -0.615 3.534 0.924 1.00 0.86 H new ATOM 0 HD22 LEU A 152 0.318 4.791 0.078 1.00 0.86 H new ATOM 0 HD23 LEU A 152 0.043 4.916 1.831 1.00 0.86 H new ATOM 2255 N ALA A 153 -3.184 8.073 -1.560 1.00 0.87 N ATOM 2256 CA ALA A 153 -4.017 7.863 -2.728 1.00 0.85 C ATOM 2257 C ALA A 153 -3.118 7.568 -3.929 1.00 0.68 C ATOM 2258 O ALA A 153 -1.952 7.976 -3.929 1.00 0.75 O ATOM 2259 CB ALA A 153 -4.880 9.101 -2.978 1.00 1.42 C ATOM 0 H ALA A 153 -2.305 8.543 -1.777 1.00 0.87 H new ATOM 0 HA ALA A 153 -4.683 7.015 -2.568 1.00 0.85 H new ATOM 0 HB1 ALA A 153 -5.504 8.938 -3.857 1.00 1.42 H new ATOM 0 HB2 ALA A 153 -5.515 9.283 -2.111 1.00 1.42 H new ATOM 0 HB3 ALA A 153 -4.237 9.965 -3.145 1.00 1.42 H new ATOM 2265 N ALA A 154 -3.657 6.874 -4.940 1.00 0.78 N ATOM 2266 CA ALA A 154 -2.997 6.685 -6.230 1.00 0.74 C ATOM 2267 C ALA A 154 -3.844 7.182 -7.391 1.00 0.85 C ATOM 2268 O ALA A 154 -5.019 7.489 -7.212 1.00 1.03 O ATOM 2269 CB ALA A 154 -2.610 5.224 -6.458 1.00 1.01 C ATOM 0 H ALA A 154 -4.571 6.426 -4.881 1.00 0.78 H new ATOM 0 HA ALA A 154 -2.088 7.286 -6.194 1.00 0.74 H new ATOM 0 HB1 ALA A 154 -2.122 5.124 -7.427 1.00 1.01 H new ATOM 0 HB2 ALA A 154 -1.926 4.902 -5.673 1.00 1.01 H new ATOM 0 HB3 ALA A 154 -3.505 4.603 -6.437 1.00 1.01 H new ATOM 2275 N LYS A 155 -3.223 7.239 -8.572 1.00 0.93 N ATOM 2276 CA LYS A 155 -3.837 7.525 -9.858 1.00 1.12 C ATOM 2277 C LYS A 155 -3.151 6.720 -10.951 1.00 1.21 C ATOM 2278 O LYS A 155 -1.924 6.621 -10.971 1.00 1.65 O ATOM 2279 CB LYS A 155 -3.695 9.008 -10.217 1.00 1.74 C ATOM 2280 CG LYS A 155 -4.452 9.852 -9.203 1.00 1.63 C ATOM 2281 CD LYS A 155 -4.615 11.297 -9.692 1.00 2.03 C ATOM 2282 CE LYS A 155 -5.508 12.113 -8.744 1.00 3.05 C ATOM 2283 NZ LYS A 155 -6.915 11.656 -8.755 1.00 3.21 N ATOM 0 H LYS A 155 -2.219 7.076 -8.654 1.00 0.93 H new ATOM 0 HA LYS A 155 -4.892 7.261 -9.784 1.00 1.12 H new ATOM 0 HB2 LYS A 155 -2.642 9.291 -10.228 1.00 1.74 H new ATOM 0 HB3 LYS A 155 -4.084 9.189 -11.219 1.00 1.74 H new ATOM 0 HG2 LYS A 155 -5.434 9.414 -9.022 1.00 1.63 H new ATOM 0 HG3 LYS A 155 -3.920 9.845 -8.252 1.00 1.63 H new ATOM 0 HD2 LYS A 155 -3.636 11.769 -9.768 1.00 2.03 H new ATOM 0 HD3 LYS A 155 -5.048 11.297 -10.692 1.00 2.03 H new ATOM 0 HE2 LYS A 155 -5.115 12.043 -7.730 1.00 3.05 H new ATOM 0 HE3 LYS A 155 -5.469 13.164 -9.029 1.00 3.05 H new ATOM 0 HZ1 LYS A 155 -7.503 12.328 -8.221 1.00 3.21 H new ATOM 0 HZ2 LYS A 155 -7.255 11.602 -9.736 1.00 3.21 H new ATOM 0 HZ3 LYS A 155 -6.978 10.716 -8.315 1.00 3.21 H new ATOM 2297 N GLN A 156 -3.942 6.195 -11.881 1.00 1.16 N ATOM 2298 CA GLN A 156 -3.586 6.116 -13.277 1.00 1.52 C ATOM 2299 C GLN A 156 -3.794 7.487 -13.914 1.00 2.17 C ATOM 2300 O GLN A 156 -2.900 7.901 -14.683 1.00 3.02 O ATOM 2301 CB GLN A 156 -4.486 5.073 -13.940 1.00 2.08 C ATOM 2302 CG GLN A 156 -4.245 3.739 -13.238 1.00 2.19 C ATOM 2303 CD GLN A 156 -5.180 2.629 -13.688 1.00 3.29 C ATOM 2304 OE1 GLN A 156 -5.999 2.790 -14.593 1.00 4.67 O ATOM 2305 NE2 GLN A 156 -5.143 1.532 -12.952 1.00 3.27 N ATOM 0 H GLN A 156 -4.863 5.808 -11.673 1.00 1.16 H new ATOM 0 HA GLN A 156 -2.543 5.825 -13.402 1.00 1.52 H new ATOM 0 HB2 GLN A 156 -5.533 5.364 -13.859 1.00 2.08 H new ATOM 0 HB3 GLN A 156 -4.259 4.992 -15.003 1.00 2.08 H new ATOM 0 HG2 GLN A 156 -3.216 3.427 -13.415 1.00 2.19 H new ATOM 0 HG3 GLN A 156 -4.355 3.880 -12.163 1.00 2.19 H new ATOM 0 HE21 GLN A 156 -4.448 1.438 -12.211 1.00 3.27 H new ATOM 0 HE22 GLN A 156 -5.809 0.779 -13.125 1.00 3.27 H new