USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=30 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 133 GLN : amide:sc= -1.86 K(o=-1.5,f=0.091) USER MOD Set 1.2: A 156 GLN : amide:sc= 0.318 X(o=-1.5,f=-1.1) USER MOD Set 2.1: A 124 SER OG : rot 71:sc= 0.74 USER MOD Set 2.2: A 138 SER OG : rot 42:sc= 0.589 USER MOD Set 3.1: A 116 ASN : amide:sc= 1.22 K(o=3.2,f=-3.3!) USER MOD Set 3.2: A 117 GLN : amide:sc= 2.01 K(o=3.2,f=0.04) USER MOD Set 4.1: A 115 TYR OH : rot 60:sc= 0.923 USER MOD Set 4.2: A 145 ASN : amide:sc= 0.975 K(o=1.9,f=0.011) USER MOD Set 5.1: A 86 LYS NZ :NH3+ 136:sc= 1.2 (180deg=0) USER MOD Set 5.2: A 87 SER OG : rot -148:sc= 1.16 USER MOD Set 6.1: A 79 ASN : amide:sc= -0.54 K(o=0.98,f=-1.7!) USER MOD Set 6.2: A 123 TYR OH : rot 20:sc= 1.52 USER MOD Set 7.1: A 68 THR OG1 : rot -94:sc= 1.07 USER MOD Set 7.2: A 70 THR OG1 : rot -5:sc= 1.29 USER MOD Set 7.3: A 81 LYS NZ :NH3+ 180:sc= 2.35 (180deg=0) USER MOD Set 8.1: A 41 SER OG : rot 180:sc= 0.975 USER MOD Set 8.2: A 76 LYS NZ :NH3+ -177:sc= 2.31 (180deg=1.1) USER MOD Set 9.1: A 40 THR OG1 : rot -20:sc= 1.89 USER MOD Set 9.2: A 106 HIS : no HE2:sc= -1.88 K(o=0.0081,f=-15!) USER MOD Single : A 39 HIS : no HE2:sc= 0.728 K(o=0.73,f=-5.4!) USER MOD Single : A 44 LYS NZ :NH3+ 162:sc= 1.02 (180deg=-0.445) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 0:sc= -0.183 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -135:sc= 1.17 (180deg=0.34) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -4.66! C(o=-4.7!,f=-1.8!) USER MOD Single : A 84 HIS : no HE2:sc= 0.242 K(o=0.24,f=-2.8!) USER MOD Single : A 91 ASN : amide:sc= -0.222 X(o=-0.22,f=-0.074) USER MOD Single : A 100 LYS NZ :NH3+ -155:sc= 1.24 (180deg=1.05) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= -0.082 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ 152:sc= 1.16 (180deg=0.475) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 143:sc= -0.0973 (180deg=-1.15) USER MOD Single : A 143 THR OG1 : rot -137:sc= 0.769 USER MOD Single : A 149 HIS : no HE2:sc= -1.53 K(o=-1.5,f=-4.5!) USER MOD Single : A 155 LYS NZ :NH3+ -179:sc= 0.796 (180deg=0.724) USER MOD ----------------------------------------------------------------- ATOM 560 N GLY A 37 -8.894 -14.511 -4.928 1.00 2.07 N ATOM 561 CA GLY A 37 -9.165 -13.095 -4.726 1.00 1.56 C ATOM 562 C GLY A 37 -10.651 -12.763 -4.859 1.00 1.38 C ATOM 563 O GLY A 37 -10.987 -11.645 -5.244 1.00 1.83 O ATOM 0 HA2 GLY A 37 -8.816 -12.798 -3.737 1.00 1.56 H new ATOM 0 HA3 GLY A 37 -8.599 -12.512 -5.452 1.00 1.56 H new ATOM 567 N GLU A 38 -11.503 -13.748 -4.553 1.00 1.46 N ATOM 568 CA GLU A 38 -12.956 -13.770 -4.633 1.00 1.61 C ATOM 569 C GLU A 38 -13.606 -12.542 -5.284 1.00 1.34 C ATOM 570 O GLU A 38 -13.629 -12.440 -6.512 1.00 1.38 O ATOM 571 CB GLU A 38 -13.552 -14.136 -3.264 1.00 2.04 C ATOM 572 CG GLU A 38 -12.975 -15.464 -2.734 1.00 2.63 C ATOM 573 CD GLU A 38 -13.552 -15.891 -1.390 1.00 3.65 C ATOM 574 OE1 GLU A 38 -12.895 -16.743 -0.745 1.00 4.82 O ATOM 575 OE2 GLU A 38 -14.644 -15.391 -1.032 1.00 3.88 O ATOM 0 H GLU A 38 -11.147 -14.640 -4.208 1.00 1.46 H new ATOM 0 HA GLU A 38 -13.211 -14.557 -5.343 1.00 1.61 H new ATOM 0 HB2 GLU A 38 -13.346 -13.338 -2.551 1.00 2.04 H new ATOM 0 HB3 GLU A 38 -14.636 -14.216 -3.347 1.00 2.04 H new ATOM 0 HG2 GLU A 38 -13.163 -16.249 -3.466 1.00 2.63 H new ATOM 0 HG3 GLU A 38 -11.893 -15.368 -2.641 1.00 2.63 H new ATOM 582 N HIS A 39 -14.200 -11.640 -4.500 1.00 1.34 N ATOM 583 CA HIS A 39 -15.075 -10.605 -5.026 1.00 1.50 C ATOM 584 C HIS A 39 -14.233 -9.582 -5.780 1.00 1.38 C ATOM 585 O HIS A 39 -14.608 -9.124 -6.858 1.00 1.56 O ATOM 586 CB HIS A 39 -15.931 -9.950 -3.932 1.00 1.94 C ATOM 587 CG HIS A 39 -16.351 -10.894 -2.839 1.00 2.58 C ATOM 588 ND1 HIS A 39 -15.537 -11.310 -1.815 1.00 3.17 N ATOM 589 CD2 HIS A 39 -17.567 -11.502 -2.684 1.00 3.78 C ATOM 590 CE1 HIS A 39 -16.244 -12.164 -1.056 1.00 4.12 C ATOM 591 NE2 HIS A 39 -17.495 -12.299 -1.537 1.00 4.40 N ATOM 0 H HIS A 39 -14.085 -11.611 -3.487 1.00 1.34 H new ATOM 0 HA HIS A 39 -15.784 -11.063 -5.715 1.00 1.50 H new ATOM 0 HB2 HIS A 39 -15.371 -9.126 -3.491 1.00 1.94 H new ATOM 0 HB3 HIS A 39 -16.822 -9.521 -4.390 1.00 1.94 H new ATOM 0 HD1 HIS A 39 -14.571 -11.023 -1.659 1.00 3.17 H new ATOM 0 HD2 HIS A 39 -18.425 -11.387 -3.329 1.00 3.78 H new ATOM 0 HE1 HIS A 39 -15.863 -12.671 -0.182 1.00 4.12 H new ATOM 599 N THR A 40 -13.068 -9.249 -5.229 1.00 1.35 N ATOM 600 CA THR A 40 -12.188 -8.269 -5.842 1.00 1.47 C ATOM 601 C THR A 40 -11.747 -8.723 -7.235 1.00 1.21 C ATOM 602 O THR A 40 -11.653 -7.916 -8.152 1.00 1.34 O ATOM 603 CB THR A 40 -11.028 -7.959 -4.895 1.00 1.86 C ATOM 604 OG1 THR A 40 -11.556 -7.601 -3.633 1.00 3.56 O ATOM 605 CG2 THR A 40 -10.213 -6.765 -5.397 1.00 2.93 C ATOM 0 H THR A 40 -12.715 -9.646 -4.358 1.00 1.35 H new ATOM 0 HA THR A 40 -12.725 -7.334 -6.001 1.00 1.47 H new ATOM 0 HB THR A 40 -10.391 -8.842 -4.837 1.00 1.86 H new ATOM 0 HG1 THR A 40 -12.489 -7.320 -3.737 1.00 3.56 H new ATOM 0 HG21 THR A 40 -9.395 -6.566 -4.705 1.00 2.93 H new ATOM 0 HG22 THR A 40 -9.808 -6.990 -6.383 1.00 2.93 H new ATOM 0 HG23 THR A 40 -10.856 -5.887 -5.461 1.00 2.93 H new ATOM 613 N SER A 41 -11.491 -10.015 -7.413 1.00 1.13 N ATOM 614 CA SER A 41 -11.215 -10.602 -8.715 1.00 1.08 C ATOM 615 C SER A 41 -12.468 -10.606 -9.590 1.00 1.08 C ATOM 616 O SER A 41 -12.435 -10.098 -10.715 1.00 1.13 O ATOM 617 CB SER A 41 -10.687 -12.018 -8.516 1.00 1.27 C ATOM 618 OG SER A 41 -9.386 -11.956 -7.960 1.00 2.17 O ATOM 0 H SER A 41 -11.470 -10.689 -6.648 1.00 1.13 H new ATOM 0 HA SER A 41 -10.463 -10.003 -9.229 1.00 1.08 H new ATOM 0 HB2 SER A 41 -11.351 -12.577 -7.857 1.00 1.27 H new ATOM 0 HB3 SER A 41 -10.664 -12.547 -9.468 1.00 1.27 H new ATOM 0 HG SER A 41 -9.043 -12.864 -7.829 1.00 2.17 H new ATOM 624 N PHE A 42 -13.555 -11.180 -9.054 1.00 1.20 N ATOM 625 CA PHE A 42 -14.885 -11.265 -9.654 1.00 1.42 C ATOM 626 C PHE A 42 -15.267 -9.946 -10.311 1.00 1.46 C ATOM 627 O PHE A 42 -15.842 -9.945 -11.404 1.00 1.62 O ATOM 628 CB PHE A 42 -15.894 -11.648 -8.556 1.00 1.65 C ATOM 629 CG PHE A 42 -17.361 -11.792 -8.928 1.00 1.96 C ATOM 630 CD1 PHE A 42 -18.031 -12.997 -8.640 1.00 3.47 C ATOM 631 CD2 PHE A 42 -18.120 -10.647 -9.239 1.00 1.95 C ATOM 632 CE1 PHE A 42 -19.422 -13.095 -8.802 1.00 3.95 C ATOM 633 CE2 PHE A 42 -19.510 -10.744 -9.416 1.00 2.19 C ATOM 634 CZ PHE A 42 -20.160 -11.976 -9.223 1.00 2.90 C ATOM 0 H PHE A 42 -13.522 -11.622 -8.135 1.00 1.20 H new ATOM 0 HA PHE A 42 -14.889 -12.027 -10.434 1.00 1.42 H new ATOM 0 HB2 PHE A 42 -15.569 -12.594 -8.124 1.00 1.65 H new ATOM 0 HB3 PHE A 42 -15.825 -10.898 -7.768 1.00 1.65 H new ATOM 0 HD1 PHE A 42 -17.470 -13.852 -8.292 1.00 3.47 H new ATOM 0 HD2 PHE A 42 -17.631 -9.690 -9.342 1.00 1.95 H new ATOM 0 HE1 PHE A 42 -19.925 -14.030 -8.603 1.00 3.95 H new ATOM 0 HE2 PHE A 42 -20.080 -9.872 -9.700 1.00 2.19 H new ATOM 0 HZ PHE A 42 -21.222 -12.062 -9.398 1.00 2.90 H new ATOM 644 N ASP A 43 -14.971 -8.835 -9.623 1.00 1.46 N ATOM 645 CA ASP A 43 -15.189 -7.472 -10.084 1.00 1.61 C ATOM 646 C ASP A 43 -14.863 -7.367 -11.563 1.00 1.66 C ATOM 647 O ASP A 43 -15.784 -7.047 -12.306 1.00 2.23 O ATOM 648 CB ASP A 43 -14.377 -6.471 -9.257 1.00 1.70 C ATOM 649 CG ASP A 43 -15.228 -5.364 -8.662 1.00 2.07 C ATOM 650 OD1 ASP A 43 -14.944 -4.175 -8.936 1.00 2.43 O ATOM 651 OD2 ASP A 43 -16.161 -5.694 -7.894 1.00 3.36 O ATOM 0 H ASP A 43 -14.556 -8.871 -8.692 1.00 1.46 H new ATOM 0 HA ASP A 43 -16.241 -7.221 -9.946 1.00 1.61 H new ATOM 0 HB2 ASP A 43 -13.867 -7.002 -8.453 1.00 1.70 H new ATOM 0 HB3 ASP A 43 -13.605 -6.029 -9.887 1.00 1.70 H new ATOM 656 N LYS A 44 -13.634 -7.737 -11.963 1.00 1.31 N ATOM 657 CA LYS A 44 -13.175 -8.115 -13.297 1.00 1.55 C ATOM 658 C LYS A 44 -11.690 -7.793 -13.409 1.00 1.55 C ATOM 659 O LYS A 44 -11.314 -6.839 -14.088 1.00 1.77 O ATOM 660 CB LYS A 44 -13.991 -7.527 -14.468 1.00 1.96 C ATOM 661 CG LYS A 44 -15.209 -8.415 -14.770 1.00 3.18 C ATOM 662 CD LYS A 44 -16.500 -7.610 -14.998 1.00 3.52 C ATOM 663 CE LYS A 44 -17.747 -8.386 -14.543 1.00 4.93 C ATOM 664 NZ LYS A 44 -17.648 -8.796 -13.125 1.00 5.79 N ATOM 0 H LYS A 44 -12.869 -7.781 -11.290 1.00 1.31 H new ATOM 0 HA LYS A 44 -13.341 -9.187 -13.399 1.00 1.55 H new ATOM 0 HB2 LYS A 44 -14.321 -6.518 -14.220 1.00 1.96 H new ATOM 0 HB3 LYS A 44 -13.362 -7.447 -15.355 1.00 1.96 H new ATOM 0 HG2 LYS A 44 -15.002 -9.017 -15.655 1.00 3.18 H new ATOM 0 HG3 LYS A 44 -15.361 -9.107 -13.942 1.00 3.18 H new ATOM 0 HD2 LYS A 44 -16.441 -6.667 -14.454 1.00 3.52 H new ATOM 0 HD3 LYS A 44 -16.592 -7.363 -16.056 1.00 3.52 H new ATOM 0 HE2 LYS A 44 -18.633 -7.766 -14.682 1.00 4.93 H new ATOM 0 HE3 LYS A 44 -17.875 -9.269 -15.169 1.00 4.93 H new ATOM 0 HZ1 LYS A 44 -18.594 -9.036 -12.766 1.00 5.79 H new ATOM 0 HZ2 LYS A 44 -17.027 -9.626 -13.046 1.00 5.79 H new ATOM 0 HZ3 LYS A 44 -17.253 -8.014 -12.564 1.00 5.79 H new ATOM 678 N LEU A 45 -10.848 -8.609 -12.762 1.00 1.55 N ATOM 679 CA LEU A 45 -9.404 -8.571 -12.970 1.00 1.71 C ATOM 680 C LEU A 45 -8.892 -9.917 -13.541 1.00 1.80 C ATOM 681 O LEU A 45 -9.508 -10.957 -13.285 1.00 2.46 O ATOM 682 CB LEU A 45 -8.663 -8.120 -11.700 1.00 1.93 C ATOM 683 CG LEU A 45 -8.972 -6.653 -11.315 1.00 1.81 C ATOM 684 CD1 LEU A 45 -10.047 -6.583 -10.232 1.00 1.82 C ATOM 685 CD2 LEU A 45 -7.718 -5.945 -10.792 1.00 2.64 C ATOM 0 H LEU A 45 -11.151 -9.309 -12.084 1.00 1.55 H new ATOM 0 HA LEU A 45 -9.181 -7.815 -13.723 1.00 1.71 H new ATOM 0 HB2 LEU A 45 -8.938 -8.774 -10.873 1.00 1.93 H new ATOM 0 HB3 LEU A 45 -7.590 -8.233 -11.852 1.00 1.93 H new ATOM 0 HG LEU A 45 -9.326 -6.157 -12.219 1.00 1.81 H new ATOM 0 HD11 LEU A 45 -10.244 -5.541 -9.981 1.00 1.82 H new ATOM 0 HD12 LEU A 45 -10.963 -7.047 -10.598 1.00 1.82 H new ATOM 0 HD13 LEU A 45 -9.703 -7.111 -9.343 1.00 1.82 H new ATOM 0 HD21 LEU A 45 -7.964 -4.916 -10.529 1.00 2.64 H new ATOM 0 HD22 LEU A 45 -7.347 -6.466 -9.910 1.00 2.64 H new ATOM 0 HD23 LEU A 45 -6.949 -5.948 -11.565 1.00 2.64 H new ATOM 697 N PRO A 46 -7.813 -9.893 -14.354 1.00 1.49 N ATOM 698 CA PRO A 46 -7.079 -11.058 -14.870 1.00 1.66 C ATOM 699 C PRO A 46 -6.481 -11.981 -13.800 1.00 1.72 C ATOM 700 O PRO A 46 -6.826 -11.889 -12.627 1.00 1.91 O ATOM 701 CB PRO A 46 -6.008 -10.512 -15.821 1.00 1.91 C ATOM 702 CG PRO A 46 -6.460 -9.095 -16.162 1.00 1.90 C ATOM 703 CD PRO A 46 -7.345 -8.674 -14.990 1.00 1.54 C ATOM 0 HA PRO A 46 -7.784 -11.713 -15.382 1.00 1.66 H new ATOM 0 HB2 PRO A 46 -5.026 -10.509 -15.348 1.00 1.91 H new ATOM 0 HB3 PRO A 46 -5.928 -11.126 -16.718 1.00 1.91 H new ATOM 0 HG2 PRO A 46 -5.608 -8.425 -16.275 1.00 1.90 H new ATOM 0 HG3 PRO A 46 -7.011 -9.071 -17.102 1.00 1.90 H new ATOM 0 HD2 PRO A 46 -6.785 -8.061 -14.284 1.00 1.54 H new ATOM 0 HD3 PRO A 46 -8.185 -8.073 -15.337 1.00 1.54 H new ATOM 711 N GLU A 47 -5.587 -12.883 -14.222 1.00 2.23 N ATOM 712 CA GLU A 47 -5.020 -13.952 -13.413 1.00 2.82 C ATOM 713 C GLU A 47 -3.859 -13.450 -12.547 1.00 2.74 C ATOM 714 O GLU A 47 -3.708 -13.879 -11.406 1.00 3.72 O ATOM 715 CB GLU A 47 -4.612 -15.156 -14.289 1.00 3.65 C ATOM 716 CG GLU A 47 -4.155 -14.855 -15.728 1.00 3.81 C ATOM 717 CD GLU A 47 -3.057 -13.817 -15.810 1.00 4.64 C ATOM 718 OE1 GLU A 47 -1.876 -14.223 -15.859 1.00 5.83 O ATOM 719 OE2 GLU A 47 -3.444 -12.627 -15.761 1.00 5.20 O ATOM 0 H GLU A 47 -5.228 -12.882 -15.177 1.00 2.23 H new ATOM 0 HA GLU A 47 -5.795 -14.298 -12.729 1.00 2.82 H new ATOM 0 HB2 GLU A 47 -3.805 -15.685 -13.782 1.00 3.65 H new ATOM 0 HB3 GLU A 47 -5.459 -15.840 -14.339 1.00 3.65 H new ATOM 0 HG2 GLU A 47 -3.806 -15.778 -16.190 1.00 3.81 H new ATOM 0 HG3 GLU A 47 -5.012 -14.512 -16.308 1.00 3.81 H new ATOM 726 N GLY A 48 -3.017 -12.560 -13.073 1.00 2.25 N ATOM 727 CA GLY A 48 -1.807 -12.125 -12.382 1.00 2.71 C ATOM 728 C GLY A 48 -1.069 -11.026 -13.143 1.00 1.28 C ATOM 729 O GLY A 48 -1.389 -10.753 -14.295 1.00 2.04 O ATOM 0 H GLY A 48 -3.155 -12.124 -13.985 1.00 2.25 H new ATOM 0 HA2 GLY A 48 -2.069 -11.763 -11.388 1.00 2.71 H new ATOM 0 HA3 GLY A 48 -1.143 -12.978 -12.245 1.00 2.71 H new ATOM 733 N GLY A 49 -0.099 -10.365 -12.498 1.00 1.31 N ATOM 734 CA GLY A 49 0.688 -9.326 -13.132 1.00 1.03 C ATOM 735 C GLY A 49 0.683 -8.031 -12.328 1.00 1.09 C ATOM 736 O GLY A 49 1.245 -7.955 -11.247 1.00 1.60 O ATOM 0 H GLY A 49 0.153 -10.542 -11.526 1.00 1.31 H new ATOM 0 HA2 GLY A 49 1.714 -9.673 -13.254 1.00 1.03 H new ATOM 0 HA3 GLY A 49 0.296 -9.134 -14.131 1.00 1.03 H new ATOM 740 N ARG A 50 0.137 -6.957 -12.879 1.00 1.09 N ATOM 741 CA ARG A 50 0.369 -5.628 -12.337 1.00 1.15 C ATOM 742 C ARG A 50 -0.778 -4.714 -12.746 1.00 1.23 C ATOM 743 O ARG A 50 -0.920 -4.395 -13.924 1.00 1.47 O ATOM 744 CB ARG A 50 1.760 -5.115 -12.779 1.00 1.12 C ATOM 745 CG ARG A 50 2.805 -5.139 -11.640 1.00 2.01 C ATOM 746 CD ARG A 50 4.180 -5.713 -12.040 1.00 2.19 C ATOM 747 NE ARG A 50 4.170 -7.181 -12.226 1.00 2.78 N ATOM 748 CZ ARG A 50 3.963 -8.095 -11.257 1.00 4.03 C ATOM 749 NH1 ARG A 50 3.896 -7.713 -9.981 1.00 4.99 N ATOM 750 NH2 ARG A 50 3.773 -9.382 -11.569 1.00 4.89 N ATOM 0 H ARG A 50 -0.469 -6.980 -13.699 1.00 1.09 H new ATOM 0 HA ARG A 50 0.385 -5.649 -11.247 1.00 1.15 H new ATOM 0 HB2 ARG A 50 2.120 -5.726 -13.607 1.00 1.12 H new ATOM 0 HB3 ARG A 50 1.663 -4.096 -13.153 1.00 1.12 H new ATOM 0 HG2 ARG A 50 2.944 -4.123 -11.271 1.00 2.01 H new ATOM 0 HG3 ARG A 50 2.408 -5.727 -10.813 1.00 2.01 H new ATOM 0 HD2 ARG A 50 4.509 -5.239 -12.965 1.00 2.19 H new ATOM 0 HD3 ARG A 50 4.910 -5.456 -11.273 1.00 2.19 H new ATOM 0 HE ARG A 50 4.334 -7.532 -13.170 1.00 2.78 H new ATOM 0 HH11 ARG A 50 4.001 -6.728 -9.737 1.00 4.99 H new ATOM 0 HH12 ARG A 50 3.739 -8.406 -9.249 1.00 4.99 H new ATOM 0 HH21 ARG A 50 3.784 -9.677 -12.545 1.00 4.89 H new ATOM 0 HH22 ARG A 50 3.617 -10.068 -10.831 1.00 4.89 H new ATOM 764 N ALA A 51 -1.568 -4.256 -11.770 1.00 1.37 N ATOM 765 CA ALA A 51 -2.522 -3.188 -12.029 1.00 1.41 C ATOM 766 C ALA A 51 -1.748 -1.877 -12.109 1.00 1.14 C ATOM 767 O ALA A 51 -0.730 -1.710 -11.438 1.00 1.34 O ATOM 768 CB ALA A 51 -3.553 -3.077 -10.905 1.00 1.80 C ATOM 0 H ALA A 51 -1.563 -4.604 -10.811 1.00 1.37 H new ATOM 0 HA ALA A 51 -3.050 -3.402 -12.958 1.00 1.41 H new ATOM 0 HB1 ALA A 51 -4.251 -2.270 -11.129 1.00 1.80 H new ATOM 0 HB2 ALA A 51 -4.100 -4.016 -10.819 1.00 1.80 H new ATOM 0 HB3 ALA A 51 -3.044 -2.866 -9.964 1.00 1.80 H new ATOM 774 N THR A 52 -2.231 -0.955 -12.936 1.00 1.22 N ATOM 775 CA THR A 52 -1.568 0.313 -13.171 1.00 1.13 C ATOM 776 C THR A 52 -1.860 1.265 -12.012 1.00 1.20 C ATOM 777 O THR A 52 -3.019 1.441 -11.643 1.00 1.47 O ATOM 778 CB THR A 52 -2.033 0.911 -14.517 1.00 1.29 C ATOM 779 OG1 THR A 52 -1.545 2.231 -14.633 1.00 1.49 O ATOM 780 CG2 THR A 52 -3.555 0.875 -14.728 1.00 1.42 C ATOM 0 H THR A 52 -3.097 -1.072 -13.462 1.00 1.22 H new ATOM 0 HA THR A 52 -0.490 0.159 -13.227 1.00 1.13 H new ATOM 0 HB THR A 52 -1.619 0.279 -15.303 1.00 1.29 H new ATOM 0 HG1 THR A 52 -1.836 2.614 -15.487 1.00 1.49 H new ATOM 0 HG21 THR A 52 -3.799 1.313 -15.696 1.00 1.42 H new ATOM 0 HG22 THR A 52 -3.902 -0.158 -14.700 1.00 1.42 H new ATOM 0 HG23 THR A 52 -4.045 1.444 -13.938 1.00 1.42 H new ATOM 788 N TYR A 53 -0.813 1.877 -11.452 1.00 1.76 N ATOM 789 CA TYR A 53 -0.906 3.054 -10.606 1.00 2.25 C ATOM 790 C TYR A 53 0.342 3.920 -10.775 1.00 2.35 C ATOM 791 O TYR A 53 1.358 3.489 -11.317 1.00 3.23 O ATOM 792 CB TYR A 53 -1.053 2.653 -9.130 1.00 2.44 C ATOM 793 CG TYR A 53 -2.355 1.963 -8.814 1.00 2.67 C ATOM 794 CD1 TYR A 53 -3.548 2.708 -8.822 1.00 4.12 C ATOM 795 CD2 TYR A 53 -2.400 0.561 -8.714 1.00 2.59 C ATOM 796 CE1 TYR A 53 -4.779 2.052 -8.700 1.00 4.78 C ATOM 797 CE2 TYR A 53 -3.638 -0.096 -8.643 1.00 3.29 C ATOM 798 CZ TYR A 53 -4.827 0.652 -8.665 1.00 4.17 C ATOM 799 OH TYR A 53 -6.020 0.034 -8.450 1.00 5.02 O ATOM 0 H TYR A 53 0.145 1.553 -11.582 1.00 1.76 H new ATOM 0 HA TYR A 53 -1.787 3.621 -10.906 1.00 2.25 H new ATOM 0 HB2 TYR A 53 -0.228 1.994 -8.858 1.00 2.44 H new ATOM 0 HB3 TYR A 53 -0.966 3.545 -8.510 1.00 2.44 H new ATOM 0 HD1 TYR A 53 -3.515 3.783 -8.922 1.00 4.12 H new ATOM 0 HD2 TYR A 53 -1.483 -0.009 -8.692 1.00 2.59 H new ATOM 0 HE1 TYR A 53 -5.692 2.625 -8.633 1.00 4.78 H new ATOM 0 HE2 TYR A 53 -3.677 -1.173 -8.572 1.00 3.29 H new ATOM 0 HH TYR A 53 -6.723 0.708 -8.342 1.00 5.02 H new ATOM 809 N ARG A 54 0.275 5.121 -10.217 1.00 1.67 N ATOM 810 CA ARG A 54 1.349 5.816 -9.539 1.00 1.24 C ATOM 811 C ARG A 54 0.676 6.391 -8.297 1.00 0.95 C ATOM 812 O ARG A 54 -0.527 6.652 -8.335 1.00 0.95 O ATOM 813 CB ARG A 54 1.886 6.953 -10.412 1.00 1.77 C ATOM 814 CG ARG A 54 2.430 6.415 -11.739 1.00 1.82 C ATOM 815 CD ARG A 54 3.268 7.479 -12.450 1.00 2.34 C ATOM 816 NE ARG A 54 3.566 7.069 -13.831 1.00 2.95 N ATOM 817 CZ ARG A 54 4.169 7.840 -14.750 1.00 3.76 C ATOM 818 NH1 ARG A 54 4.596 9.062 -14.416 1.00 4.06 N ATOM 819 NH2 ARG A 54 4.340 7.385 -15.997 1.00 4.77 N ATOM 0 H ARG A 54 -0.587 5.666 -10.229 1.00 1.67 H new ATOM 0 HA ARG A 54 2.194 5.166 -9.311 1.00 1.24 H new ATOM 0 HB2 ARG A 54 1.092 7.674 -10.606 1.00 1.77 H new ATOM 0 HB3 ARG A 54 2.675 7.484 -9.880 1.00 1.77 H new ATOM 0 HG2 ARG A 54 3.037 5.529 -11.556 1.00 1.82 H new ATOM 0 HG3 ARG A 54 1.603 6.108 -12.379 1.00 1.82 H new ATOM 0 HD2 ARG A 54 2.732 8.428 -12.455 1.00 2.34 H new ATOM 0 HD3 ARG A 54 4.198 7.641 -11.905 1.00 2.34 H new ATOM 0 HE ARG A 54 3.294 6.127 -14.112 1.00 2.95 H new ATOM 0 HH11 ARG A 54 4.463 9.406 -13.465 1.00 4.06 H new ATOM 0 HH12 ARG A 54 5.054 9.650 -15.112 1.00 4.06 H new ATOM 0 HH21 ARG A 54 4.012 6.453 -16.249 1.00 4.77 H new ATOM 0 HH22 ARG A 54 4.798 7.971 -16.695 1.00 4.77 H new ATOM 833 N GLY A 55 1.398 6.585 -7.198 1.00 0.99 N ATOM 834 CA GLY A 55 0.771 7.185 -6.037 1.00 0.89 C ATOM 835 C GLY A 55 1.802 7.654 -5.036 1.00 0.75 C ATOM 836 O GLY A 55 3.005 7.625 -5.305 1.00 0.85 O ATOM 0 H GLY A 55 2.383 6.344 -7.091 1.00 0.99 H new ATOM 0 HA2 GLY A 55 0.154 8.028 -6.349 1.00 0.89 H new ATOM 0 HA3 GLY A 55 0.106 6.461 -5.565 1.00 0.89 H new ATOM 840 N THR A 56 1.320 8.053 -3.864 1.00 0.67 N ATOM 841 CA THR A 56 2.167 8.414 -2.752 1.00 0.86 C ATOM 842 C THR A 56 1.548 7.923 -1.453 1.00 0.74 C ATOM 843 O THR A 56 0.344 7.666 -1.370 1.00 0.93 O ATOM 844 CB THR A 56 2.468 9.921 -2.761 1.00 1.37 C ATOM 845 OG1 THR A 56 3.472 10.202 -1.807 1.00 3.52 O ATOM 846 CG2 THR A 56 1.228 10.770 -2.469 1.00 1.89 C ATOM 0 H THR A 56 0.323 8.133 -3.666 1.00 0.67 H new ATOM 0 HA THR A 56 3.134 7.920 -2.847 1.00 0.86 H new ATOM 0 HB THR A 56 2.808 10.182 -3.763 1.00 1.37 H new ATOM 0 HG1 THR A 56 3.668 11.162 -1.811 1.00 3.52 H new ATOM 0 HG21 THR A 56 1.497 11.826 -2.488 1.00 1.89 H new ATOM 0 HG22 THR A 56 0.468 10.576 -3.226 1.00 1.89 H new ATOM 0 HG23 THR A 56 0.835 10.513 -1.485 1.00 1.89 H new ATOM 854 N ALA A 57 2.418 7.782 -0.460 1.00 0.70 N ATOM 855 CA ALA A 57 2.122 7.507 0.922 1.00 0.66 C ATOM 856 C ALA A 57 2.683 8.708 1.682 1.00 0.69 C ATOM 857 O ALA A 57 3.822 8.678 2.152 1.00 0.94 O ATOM 858 CB ALA A 57 2.780 6.185 1.315 1.00 0.69 C ATOM 0 H ALA A 57 3.421 7.865 -0.623 1.00 0.70 H new ATOM 0 HA ALA A 57 1.060 7.389 1.139 1.00 0.66 H new ATOM 0 HB1 ALA A 57 2.562 5.967 2.360 1.00 0.69 H new ATOM 0 HB2 ALA A 57 2.389 5.384 0.688 1.00 0.69 H new ATOM 0 HB3 ALA A 57 3.859 6.260 1.177 1.00 0.69 H new ATOM 864 N PHE A 58 1.907 9.792 1.738 1.00 0.59 N ATOM 865 CA PHE A 58 2.357 11.037 2.346 1.00 0.65 C ATOM 866 C PHE A 58 2.238 10.909 3.848 1.00 0.65 C ATOM 867 O PHE A 58 1.303 10.303 4.365 1.00 0.71 O ATOM 868 CB PHE A 58 1.629 12.248 1.771 1.00 0.77 C ATOM 869 CG PHE A 58 0.155 12.340 2.113 1.00 0.82 C ATOM 870 CD1 PHE A 58 -0.819 11.806 1.249 1.00 1.87 C ATOM 871 CD2 PHE A 58 -0.240 12.934 3.327 1.00 1.88 C ATOM 872 CE1 PHE A 58 -2.181 11.877 1.592 1.00 2.05 C ATOM 873 CE2 PHE A 58 -1.597 12.990 3.677 1.00 1.90 C ATOM 874 CZ PHE A 58 -2.571 12.476 2.804 1.00 1.21 C ATOM 0 H PHE A 58 0.958 9.828 1.366 1.00 0.59 H new ATOM 0 HA PHE A 58 3.405 11.213 2.105 1.00 0.65 H new ATOM 0 HB2 PHE A 58 2.125 13.152 2.126 1.00 0.77 H new ATOM 0 HB3 PHE A 58 1.733 12.233 0.686 1.00 0.77 H new ATOM 0 HD1 PHE A 58 -0.520 11.341 0.321 1.00 1.87 H new ATOM 0 HD2 PHE A 58 0.505 13.348 3.991 1.00 1.88 H new ATOM 0 HE1 PHE A 58 -2.928 11.472 0.925 1.00 2.05 H new ATOM 0 HE2 PHE A 58 -1.894 13.429 4.618 1.00 1.90 H new ATOM 0 HZ PHE A 58 -3.617 12.541 3.063 1.00 1.21 H new ATOM 884 N GLY A 59 3.233 11.437 4.547 1.00 0.68 N ATOM 885 CA GLY A 59 3.411 11.147 5.952 1.00 0.87 C ATOM 886 C GLY A 59 2.396 11.932 6.771 1.00 1.08 C ATOM 887 O GLY A 59 1.847 12.930 6.307 1.00 1.16 O ATOM 0 H GLY A 59 3.930 12.071 4.156 1.00 0.68 H new ATOM 0 HA2 GLY A 59 3.289 10.079 6.131 1.00 0.87 H new ATOM 0 HA3 GLY A 59 4.423 11.408 6.262 1.00 0.87 H new ATOM 891 N SER A 60 2.198 11.517 8.023 1.00 1.43 N ATOM 892 CA SER A 60 1.376 12.258 8.974 1.00 1.79 C ATOM 893 C SER A 60 1.827 13.722 9.076 1.00 1.65 C ATOM 894 O SER A 60 1.020 14.583 9.414 1.00 2.14 O ATOM 895 CB SER A 60 1.434 11.570 10.344 1.00 2.15 C ATOM 896 OG SER A 60 0.344 11.958 11.157 1.00 2.55 O ATOM 0 H SER A 60 2.602 10.661 8.403 1.00 1.43 H new ATOM 0 HA SER A 60 0.345 12.261 8.620 1.00 1.79 H new ATOM 0 HB2 SER A 60 1.425 10.488 10.211 1.00 2.15 H new ATOM 0 HB3 SER A 60 2.370 11.823 10.842 1.00 2.15 H new ATOM 0 HG SER A 60 0.404 11.504 12.023 1.00 2.55 H new ATOM 902 N ASP A 61 3.116 13.972 8.808 1.00 1.19 N ATOM 903 CA ASP A 61 3.754 15.282 8.796 1.00 1.31 C ATOM 904 C ASP A 61 4.361 15.568 7.410 1.00 1.19 C ATOM 905 O ASP A 61 5.376 16.251 7.310 1.00 1.29 O ATOM 906 CB ASP A 61 4.849 15.242 9.878 1.00 1.54 C ATOM 907 CG ASP A 61 5.386 16.620 10.248 1.00 2.20 C ATOM 908 OD1 ASP A 61 6.593 16.680 10.568 1.00 2.29 O ATOM 909 OD2 ASP A 61 4.575 17.571 10.269 1.00 3.38 O ATOM 0 H ASP A 61 3.770 13.222 8.583 1.00 1.19 H new ATOM 0 HA ASP A 61 3.036 16.077 8.999 1.00 1.31 H new ATOM 0 HB2 ASP A 61 4.448 14.764 10.772 1.00 1.54 H new ATOM 0 HB3 ASP A 61 5.673 14.621 9.527 1.00 1.54 H new ATOM 914 N ASP A 62 3.812 14.959 6.346 1.00 1.06 N ATOM 915 CA ASP A 62 4.525 14.603 5.136 1.00 1.10 C ATOM 916 C ASP A 62 6.050 14.646 5.145 1.00 1.12 C ATOM 917 O ASP A 62 6.687 15.427 4.440 1.00 1.40 O ATOM 918 CB ASP A 62 3.898 15.103 3.835 1.00 1.33 C ATOM 919 CG ASP A 62 4.388 14.239 2.676 1.00 1.86 C ATOM 920 OD1 ASP A 62 4.826 13.097 2.961 1.00 2.99 O ATOM 921 OD2 ASP A 62 4.239 14.684 1.519 1.00 2.24 O ATOM 0 H ASP A 62 2.826 14.698 6.317 1.00 1.06 H new ATOM 0 HA ASP A 62 4.351 13.527 5.154 1.00 1.10 H new ATOM 0 HB2 ASP A 62 2.811 15.060 3.902 1.00 1.33 H new ATOM 0 HB3 ASP A 62 4.166 16.146 3.665 1.00 1.33 H new ATOM 926 N ALA A 63 6.613 13.670 5.856 1.00 1.00 N ATOM 927 CA ALA A 63 7.875 13.068 5.479 1.00 0.95 C ATOM 928 C ALA A 63 7.568 11.635 5.046 1.00 0.83 C ATOM 929 O ALA A 63 8.119 10.676 5.581 1.00 0.94 O ATOM 930 CB ALA A 63 8.786 13.109 6.698 1.00 1.10 C ATOM 0 H ALA A 63 6.203 13.281 6.705 1.00 1.00 H new ATOM 0 HA ALA A 63 8.373 13.589 4.661 1.00 0.95 H new ATOM 0 HB1 ALA A 63 9.748 12.662 6.448 1.00 1.10 H new ATOM 0 HB2 ALA A 63 8.936 14.144 7.006 1.00 1.10 H new ATOM 0 HB3 ALA A 63 8.327 12.550 7.514 1.00 1.10 H new ATOM 936 N GLY A 64 6.671 11.504 4.073 1.00 0.80 N ATOM 937 CA GLY A 64 6.213 10.250 3.516 1.00 0.75 C ATOM 938 C GLY A 64 6.999 9.929 2.243 1.00 0.82 C ATOM 939 O GLY A 64 7.926 10.654 1.879 1.00 1.22 O ATOM 0 H GLY A 64 6.227 12.312 3.636 1.00 0.80 H new ATOM 0 HA2 GLY A 64 6.341 9.450 4.245 1.00 0.75 H new ATOM 0 HA3 GLY A 64 5.148 10.309 3.291 1.00 0.75 H new ATOM 943 N GLY A 65 6.684 8.804 1.593 1.00 0.75 N ATOM 944 CA GLY A 65 7.346 8.384 0.361 1.00 0.87 C ATOM 945 C GLY A 65 6.350 7.846 -0.661 1.00 0.71 C ATOM 946 O GLY A 65 5.150 7.804 -0.414 1.00 0.96 O ATOM 0 H GLY A 65 5.960 8.159 1.910 1.00 0.75 H new ATOM 0 HA2 GLY A 65 7.886 9.228 -0.067 1.00 0.87 H new ATOM 0 HA3 GLY A 65 8.084 7.615 0.589 1.00 0.87 H new ATOM 950 N LYS A 66 6.848 7.487 -1.843 1.00 0.71 N ATOM 951 CA LYS A 66 6.024 7.231 -3.019 1.00 0.71 C ATOM 952 C LYS A 66 5.360 5.852 -2.969 1.00 0.63 C ATOM 953 O LYS A 66 5.757 4.995 -2.183 1.00 1.02 O ATOM 954 CB LYS A 66 6.918 7.336 -4.257 1.00 0.93 C ATOM 955 CG LYS A 66 7.367 8.785 -4.467 1.00 1.09 C ATOM 956 CD LYS A 66 8.634 8.879 -5.331 1.00 1.52 C ATOM 957 CE LYS A 66 9.900 8.358 -4.623 1.00 2.09 C ATOM 958 NZ LYS A 66 10.296 6.991 -5.026 1.00 3.43 N ATOM 0 H LYS A 66 7.847 7.365 -2.011 1.00 0.71 H new ATOM 0 HA LYS A 66 5.221 7.968 -3.053 1.00 0.71 H new ATOM 0 HB2 LYS A 66 7.789 6.691 -4.141 1.00 0.93 H new ATOM 0 HB3 LYS A 66 6.377 6.985 -5.136 1.00 0.93 H new ATOM 0 HG2 LYS A 66 6.563 9.348 -4.941 1.00 1.09 H new ATOM 0 HG3 LYS A 66 7.554 9.250 -3.499 1.00 1.09 H new ATOM 0 HD2 LYS A 66 8.481 8.312 -6.249 1.00 1.52 H new ATOM 0 HD3 LYS A 66 8.791 9.918 -5.621 1.00 1.52 H new ATOM 0 HE2 LYS A 66 10.725 9.040 -4.829 1.00 2.09 H new ATOM 0 HE3 LYS A 66 9.734 8.374 -3.546 1.00 2.09 H new ATOM 0 HZ1 LYS A 66 10.537 6.436 -4.180 1.00 3.43 H new ATOM 0 HZ2 LYS A 66 9.507 6.534 -5.526 1.00 3.43 H new ATOM 0 HZ3 LYS A 66 11.123 7.040 -5.655 1.00 3.43 H new ATOM 972 N LEU A 67 4.377 5.635 -3.850 1.00 0.71 N ATOM 973 CA LEU A 67 3.735 4.349 -4.075 1.00 0.75 C ATOM 974 C LEU A 67 4.017 3.913 -5.515 1.00 0.82 C ATOM 975 O LEU A 67 3.506 4.514 -6.463 1.00 1.09 O ATOM 976 CB LEU A 67 2.223 4.468 -3.839 1.00 0.93 C ATOM 977 CG LEU A 67 1.534 3.095 -3.808 1.00 1.02 C ATOM 978 CD1 LEU A 67 1.570 2.528 -2.388 1.00 1.14 C ATOM 979 CD2 LEU A 67 0.080 3.222 -4.264 1.00 1.32 C ATOM 0 H LEU A 67 4.000 6.376 -4.440 1.00 0.71 H new ATOM 0 HA LEU A 67 4.130 3.607 -3.381 1.00 0.75 H new ATOM 0 HB2 LEU A 67 2.043 4.985 -2.896 1.00 0.93 H new ATOM 0 HB3 LEU A 67 1.780 5.078 -4.627 1.00 0.93 H new ATOM 0 HG LEU A 67 2.064 2.424 -4.484 1.00 1.02 H new ATOM 0 HD11 LEU A 67 1.080 1.554 -2.372 1.00 1.14 H new ATOM 0 HD12 LEU A 67 2.606 2.418 -2.066 1.00 1.14 H new ATOM 0 HD13 LEU A 67 1.050 3.207 -1.712 1.00 1.14 H new ATOM 0 HD21 LEU A 67 -0.397 2.242 -4.237 1.00 1.32 H new ATOM 0 HD22 LEU A 67 -0.452 3.902 -3.599 1.00 1.32 H new ATOM 0 HD23 LEU A 67 0.050 3.612 -5.281 1.00 1.32 H new ATOM 991 N THR A 68 4.815 2.857 -5.680 1.00 0.72 N ATOM 992 CA THR A 68 4.996 2.184 -6.957 1.00 0.73 C ATOM 993 C THR A 68 3.810 1.264 -7.204 1.00 0.87 C ATOM 994 O THR A 68 3.316 0.671 -6.248 1.00 1.07 O ATOM 995 CB THR A 68 6.269 1.337 -6.892 1.00 0.91 C ATOM 996 OG1 THR A 68 6.164 0.435 -5.797 1.00 2.28 O ATOM 997 CG2 THR A 68 7.494 2.241 -6.738 1.00 1.26 C ATOM 0 H THR A 68 5.357 2.445 -4.921 1.00 0.72 H new ATOM 0 HA THR A 68 5.072 2.919 -7.758 1.00 0.73 H new ATOM 0 HB THR A 68 6.386 0.769 -7.815 1.00 0.91 H new ATOM 0 HG1 THR A 68 6.588 0.829 -5.006 1.00 2.28 H new ATOM 0 HG21 THR A 68 8.395 1.629 -6.693 1.00 1.26 H new ATOM 0 HG22 THR A 68 7.557 2.917 -7.591 1.00 1.26 H new ATOM 0 HG23 THR A 68 7.404 2.822 -5.820 1.00 1.26 H new ATOM 1005 N TYR A 69 3.430 1.052 -8.463 1.00 0.82 N ATOM 1006 CA TYR A 69 2.339 0.149 -8.768 1.00 0.83 C ATOM 1007 C TYR A 69 2.824 -1.289 -8.657 1.00 0.77 C ATOM 1008 O TYR A 69 3.753 -1.710 -9.345 1.00 0.74 O ATOM 1009 CB TYR A 69 1.760 0.443 -10.150 1.00 0.83 C ATOM 1010 CG TYR A 69 2.658 0.209 -11.351 1.00 0.85 C ATOM 1011 CD1 TYR A 69 3.553 1.210 -11.776 1.00 1.77 C ATOM 1012 CD2 TYR A 69 2.543 -0.981 -12.095 1.00 2.24 C ATOM 1013 CE1 TYR A 69 4.349 1.008 -12.915 1.00 1.73 C ATOM 1014 CE2 TYR A 69 3.333 -1.179 -13.241 1.00 2.45 C ATOM 1015 CZ TYR A 69 4.236 -0.183 -13.649 1.00 1.25 C ATOM 1016 OH TYR A 69 4.999 -0.361 -14.764 1.00 1.57 O ATOM 0 H TYR A 69 3.861 1.492 -9.276 1.00 0.82 H new ATOM 0 HA TYR A 69 1.535 0.299 -8.047 1.00 0.83 H new ATOM 0 HB2 TYR A 69 0.865 -0.166 -10.276 1.00 0.83 H new ATOM 0 HB3 TYR A 69 1.442 1.485 -10.166 1.00 0.83 H new ATOM 0 HD1 TYR A 69 3.627 2.136 -11.224 1.00 1.77 H new ATOM 0 HD2 TYR A 69 1.845 -1.745 -11.784 1.00 2.24 H new ATOM 0 HE1 TYR A 69 5.049 1.770 -13.226 1.00 1.73 H new ATOM 0 HE2 TYR A 69 3.246 -2.095 -13.807 1.00 2.45 H new ATOM 0 HH TYR A 69 4.804 -1.237 -15.158 1.00 1.57 H new ATOM 1026 N THR A 70 2.219 -2.044 -7.748 1.00 0.83 N ATOM 1027 CA THR A 70 2.471 -3.459 -7.601 1.00 0.87 C ATOM 1028 C THR A 70 1.215 -4.066 -6.974 1.00 1.03 C ATOM 1029 O THR A 70 1.062 -4.004 -5.757 1.00 1.23 O ATOM 1030 CB THR A 70 3.726 -3.677 -6.725 1.00 0.94 C ATOM 1031 OG1 THR A 70 4.879 -3.018 -7.232 1.00 1.05 O ATOM 1032 CG2 THR A 70 4.060 -5.164 -6.576 1.00 1.06 C ATOM 0 H THR A 70 1.532 -1.679 -7.088 1.00 0.83 H new ATOM 0 HA THR A 70 2.672 -3.942 -8.557 1.00 0.87 H new ATOM 0 HB THR A 70 3.471 -3.247 -5.756 1.00 0.94 H new ATOM 0 HG1 THR A 70 4.668 -2.608 -8.097 1.00 1.05 H new ATOM 0 HG21 THR A 70 4.948 -5.277 -5.954 1.00 1.06 H new ATOM 0 HG22 THR A 70 3.221 -5.680 -6.109 1.00 1.06 H new ATOM 0 HG23 THR A 70 4.249 -5.595 -7.559 1.00 1.06 H new ATOM 1040 N ILE A 71 0.311 -4.608 -7.803 1.00 1.04 N ATOM 1041 CA ILE A 71 -0.759 -5.514 -7.385 1.00 1.14 C ATOM 1042 C ILE A 71 -0.875 -6.582 -8.480 1.00 1.15 C ATOM 1043 O ILE A 71 -1.239 -6.259 -9.610 1.00 1.46 O ATOM 1044 CB ILE A 71 -2.104 -4.793 -7.051 1.00 1.21 C ATOM 1045 CG1 ILE A 71 -3.283 -5.159 -7.974 1.00 1.25 C ATOM 1046 CG2 ILE A 71 -1.965 -3.255 -7.005 1.00 1.48 C ATOM 1047 CD1 ILE A 71 -4.573 -4.419 -7.621 1.00 2.04 C ATOM 0 H ILE A 71 0.307 -4.422 -8.806 1.00 1.04 H new ATOM 0 HA ILE A 71 -0.510 -5.981 -6.432 1.00 1.14 H new ATOM 0 HB ILE A 71 -2.340 -5.170 -6.056 1.00 1.21 H new ATOM 0 HG12 ILE A 71 -3.013 -4.934 -9.006 1.00 1.25 H new ATOM 0 HG13 ILE A 71 -3.460 -6.233 -7.918 1.00 1.25 H new ATOM 0 HG21 ILE A 71 -2.931 -2.809 -6.769 1.00 1.48 H new ATOM 0 HG22 ILE A 71 -1.241 -2.978 -6.239 1.00 1.48 H new ATOM 0 HG23 ILE A 71 -1.625 -2.891 -7.975 1.00 1.48 H new ATOM 0 HD11 ILE A 71 -5.365 -4.720 -8.307 1.00 2.04 H new ATOM 0 HD12 ILE A 71 -4.865 -4.664 -6.600 1.00 2.04 H new ATOM 0 HD13 ILE A 71 -4.410 -3.344 -7.704 1.00 2.04 H new ATOM 1059 N ASP A 72 -0.542 -7.837 -8.165 1.00 0.91 N ATOM 1060 CA ASP A 72 -0.819 -8.976 -9.023 1.00 0.84 C ATOM 1061 C ASP A 72 -2.265 -9.387 -8.793 1.00 0.77 C ATOM 1062 O ASP A 72 -2.721 -9.493 -7.652 1.00 1.10 O ATOM 1063 CB ASP A 72 0.109 -10.157 -8.717 1.00 0.92 C ATOM 1064 CG ASP A 72 1.497 -10.049 -9.319 1.00 2.17 C ATOM 1065 OD1 ASP A 72 1.697 -10.609 -10.422 1.00 3.05 O ATOM 1066 OD2 ASP A 72 2.365 -9.409 -8.688 1.00 3.25 O ATOM 0 H ASP A 72 -0.068 -8.086 -7.297 1.00 0.91 H new ATOM 0 HA ASP A 72 -0.648 -8.693 -10.062 1.00 0.84 H new ATOM 0 HB2 ASP A 72 0.204 -10.255 -7.636 1.00 0.92 H new ATOM 0 HB3 ASP A 72 -0.359 -11.072 -9.080 1.00 0.92 H new ATOM 1071 N PHE A 73 -2.983 -9.617 -9.887 1.00 0.73 N ATOM 1072 CA PHE A 73 -4.405 -9.912 -9.865 1.00 0.83 C ATOM 1073 C PHE A 73 -4.733 -11.159 -9.037 1.00 0.94 C ATOM 1074 O PHE A 73 -5.755 -11.178 -8.355 1.00 1.23 O ATOM 1075 CB PHE A 73 -4.949 -9.997 -11.287 1.00 1.15 C ATOM 1076 CG PHE A 73 -4.499 -8.865 -12.190 1.00 1.58 C ATOM 1077 CD1 PHE A 73 -3.803 -9.156 -13.372 1.00 3.21 C ATOM 1078 CD2 PHE A 73 -4.662 -7.525 -11.802 1.00 1.41 C ATOM 1079 CE1 PHE A 73 -3.254 -8.129 -14.155 1.00 3.75 C ATOM 1080 CE2 PHE A 73 -4.167 -6.493 -12.616 1.00 1.69 C ATOM 1081 CZ PHE A 73 -3.450 -6.790 -13.786 1.00 2.68 C ATOM 0 H PHE A 73 -2.585 -9.603 -10.826 1.00 0.73 H new ATOM 0 HA PHE A 73 -4.910 -9.088 -9.361 1.00 0.83 H new ATOM 0 HB2 PHE A 73 -4.638 -10.944 -11.727 1.00 1.15 H new ATOM 0 HB3 PHE A 73 -6.038 -10.006 -11.248 1.00 1.15 H new ATOM 0 HD1 PHE A 73 -3.688 -10.184 -13.684 1.00 3.21 H new ATOM 0 HD2 PHE A 73 -5.168 -7.288 -10.878 1.00 1.41 H new ATOM 0 HE1 PHE A 73 -2.682 -8.369 -15.039 1.00 3.75 H new ATOM 0 HE2 PHE A 73 -4.339 -5.463 -12.340 1.00 1.69 H new ATOM 0 HZ PHE A 73 -3.052 -5.993 -14.397 1.00 2.68 H new ATOM 1091 N ALA A 74 -3.848 -12.161 -9.051 1.00 1.03 N ATOM 1092 CA ALA A 74 -3.970 -13.410 -8.306 1.00 1.44 C ATOM 1093 C ALA A 74 -4.539 -13.196 -6.904 1.00 1.40 C ATOM 1094 O ALA A 74 -5.544 -13.794 -6.528 1.00 1.60 O ATOM 1095 CB ALA A 74 -2.593 -14.080 -8.228 1.00 1.78 C ATOM 0 H ALA A 74 -2.993 -12.118 -9.606 1.00 1.03 H new ATOM 0 HA ALA A 74 -4.673 -14.055 -8.834 1.00 1.44 H new ATOM 0 HB1 ALA A 74 -2.674 -15.015 -7.673 1.00 1.78 H new ATOM 0 HB2 ALA A 74 -2.231 -14.286 -9.235 1.00 1.78 H new ATOM 0 HB3 ALA A 74 -1.893 -13.416 -7.720 1.00 1.78 H new ATOM 1101 N ALA A 75 -3.879 -12.318 -6.144 1.00 1.27 N ATOM 1102 CA ALA A 75 -4.153 -12.137 -4.717 1.00 1.39 C ATOM 1103 C ALA A 75 -4.219 -10.675 -4.277 1.00 1.23 C ATOM 1104 O ALA A 75 -4.514 -10.413 -3.114 1.00 1.50 O ATOM 1105 CB ALA A 75 -3.125 -12.902 -3.881 1.00 1.68 C ATOM 0 H ALA A 75 -3.140 -11.713 -6.501 1.00 1.27 H new ATOM 0 HA ALA A 75 -5.150 -12.544 -4.546 1.00 1.39 H new ATOM 0 HB1 ALA A 75 -3.339 -12.760 -2.822 1.00 1.68 H new ATOM 0 HB2 ALA A 75 -3.177 -13.964 -4.122 1.00 1.68 H new ATOM 0 HB3 ALA A 75 -2.125 -12.528 -4.102 1.00 1.68 H new ATOM 1111 N LYS A 76 -3.987 -9.726 -5.196 1.00 1.01 N ATOM 1112 CA LYS A 76 -4.144 -8.301 -4.952 1.00 1.04 C ATOM 1113 C LYS A 76 -3.303 -7.824 -3.761 1.00 1.20 C ATOM 1114 O LYS A 76 -3.740 -7.076 -2.893 1.00 1.58 O ATOM 1115 CB LYS A 76 -5.635 -7.993 -4.864 1.00 1.03 C ATOM 1116 CG LYS A 76 -6.249 -7.321 -6.089 1.00 1.55 C ATOM 1117 CD LYS A 76 -6.317 -8.218 -7.329 1.00 3.02 C ATOM 1118 CE LYS A 76 -7.629 -9.007 -7.524 1.00 4.41 C ATOM 1119 NZ LYS A 76 -7.673 -10.287 -6.790 1.00 5.59 N ATOM 0 H LYS A 76 -3.680 -9.941 -6.145 1.00 1.01 H new ATOM 0 HA LYS A 76 -3.743 -7.719 -5.782 1.00 1.04 H new ATOM 0 HB2 LYS A 76 -6.169 -8.925 -4.679 1.00 1.03 H new ATOM 0 HB3 LYS A 76 -5.804 -7.352 -3.999 1.00 1.03 H new ATOM 0 HG2 LYS A 76 -7.256 -6.987 -5.840 1.00 1.55 H new ATOM 0 HG3 LYS A 76 -5.669 -6.430 -6.330 1.00 1.55 H new ATOM 0 HD2 LYS A 76 -6.155 -7.598 -8.211 1.00 3.02 H new ATOM 0 HD3 LYS A 76 -5.492 -8.929 -7.284 1.00 3.02 H new ATOM 0 HE2 LYS A 76 -8.466 -8.386 -7.203 1.00 4.41 H new ATOM 0 HE3 LYS A 76 -7.768 -9.204 -8.587 1.00 4.41 H new ATOM 0 HZ1 LYS A 76 -8.561 -10.783 -7.009 1.00 5.59 H new ATOM 0 HZ2 LYS A 76 -6.866 -10.878 -7.075 1.00 5.59 H new ATOM 0 HZ3 LYS A 76 -7.623 -10.103 -5.768 1.00 5.59 H new ATOM 1133 N GLN A 77 -2.029 -8.189 -3.821 1.00 1.02 N ATOM 1134 CA GLN A 77 -0.939 -7.716 -2.990 1.00 1.19 C ATOM 1135 C GLN A 77 -0.633 -6.276 -3.397 1.00 1.36 C ATOM 1136 O GLN A 77 0.409 -5.991 -3.974 1.00 2.02 O ATOM 1137 CB GLN A 77 0.272 -8.658 -3.134 1.00 1.31 C ATOM 1138 CG GLN A 77 0.535 -9.180 -4.562 1.00 1.81 C ATOM 1139 CD GLN A 77 -0.194 -10.503 -4.802 1.00 1.49 C ATOM 1140 OE1 GLN A 77 0.198 -11.519 -4.244 1.00 1.79 O ATOM 1141 NE2 GLN A 77 -1.288 -10.530 -5.569 1.00 1.41 N ATOM 0 H GLN A 77 -1.711 -8.876 -4.505 1.00 1.02 H new ATOM 0 HA GLN A 77 -1.205 -7.722 -1.933 1.00 1.19 H new ATOM 0 HB2 GLN A 77 1.162 -8.134 -2.787 1.00 1.31 H new ATOM 0 HB3 GLN A 77 0.127 -9.513 -2.473 1.00 1.31 H new ATOM 0 HG2 GLN A 77 0.204 -8.440 -5.291 1.00 1.81 H new ATOM 0 HG3 GLN A 77 1.606 -9.318 -4.712 1.00 1.81 H new ATOM 0 HE21 GLN A 77 -1.608 -9.679 -6.031 1.00 1.41 H new ATOM 0 HE22 GLN A 77 -1.803 -11.402 -5.693 1.00 1.41 H new ATOM 1150 N GLY A 78 -1.593 -5.390 -3.144 1.00 1.41 N ATOM 1151 CA GLY A 78 -1.521 -3.977 -3.466 1.00 1.60 C ATOM 1152 C GLY A 78 -0.540 -3.271 -2.542 1.00 1.38 C ATOM 1153 O GLY A 78 -0.914 -2.875 -1.438 1.00 1.46 O ATOM 0 H GLY A 78 -2.470 -5.650 -2.694 1.00 1.41 H new ATOM 0 HA2 GLY A 78 -1.210 -3.849 -4.503 1.00 1.60 H new ATOM 0 HA3 GLY A 78 -2.509 -3.525 -3.372 1.00 1.60 H new ATOM 1157 N ASN A 79 0.716 -3.132 -2.977 1.00 1.23 N ATOM 1158 CA ASN A 79 1.793 -2.615 -2.139 1.00 1.21 C ATOM 1159 C ASN A 79 2.608 -1.605 -2.945 1.00 1.45 C ATOM 1160 O ASN A 79 2.658 -1.700 -4.169 1.00 2.11 O ATOM 1161 CB ASN A 79 2.705 -3.756 -1.660 1.00 1.29 C ATOM 1162 CG ASN A 79 1.992 -5.068 -1.352 1.00 1.62 C ATOM 1163 OD1 ASN A 79 2.388 -6.104 -1.875 1.00 2.88 O ATOM 1164 ND2 ASN A 79 0.957 -5.053 -0.512 1.00 1.31 N ATOM 0 H ASN A 79 1.011 -3.376 -3.922 1.00 1.23 H new ATOM 0 HA ASN A 79 1.362 -2.132 -1.262 1.00 1.21 H new ATOM 0 HB2 ASN A 79 3.460 -3.942 -2.424 1.00 1.29 H new ATOM 0 HB3 ASN A 79 3.232 -3.428 -0.764 1.00 1.29 H new ATOM 0 HD21 ASN A 79 0.470 -5.921 -0.288 1.00 1.31 H new ATOM 0 HD22 ASN A 79 0.652 -4.174 -0.094 1.00 1.31 H new ATOM 1171 N GLY A 80 3.268 -0.646 -2.290 1.00 1.14 N ATOM 1172 CA GLY A 80 4.193 0.254 -2.966 1.00 1.20 C ATOM 1173 C GLY A 80 5.210 0.834 -1.990 1.00 1.19 C ATOM 1174 O GLY A 80 4.828 1.450 -1.008 1.00 1.45 O ATOM 0 H GLY A 80 3.175 -0.476 -1.289 1.00 1.14 H new ATOM 0 HA2 GLY A 80 4.712 -0.283 -3.760 1.00 1.20 H new ATOM 0 HA3 GLY A 80 3.637 1.063 -3.439 1.00 1.20 H new ATOM 1178 N LYS A 81 6.496 0.622 -2.253 1.00 0.99 N ATOM 1179 CA LYS A 81 7.579 0.830 -1.296 1.00 0.83 C ATOM 1180 C LYS A 81 7.931 2.322 -1.161 1.00 0.89 C ATOM 1181 O LYS A 81 8.138 3.012 -2.160 1.00 1.10 O ATOM 1182 CB LYS A 81 8.808 0.000 -1.711 1.00 0.83 C ATOM 1183 CG LYS A 81 8.451 -1.407 -2.235 1.00 1.76 C ATOM 1184 CD LYS A 81 8.334 -1.450 -3.774 1.00 2.65 C ATOM 1185 CE LYS A 81 7.189 -2.362 -4.258 1.00 4.58 C ATOM 1186 NZ LYS A 81 6.918 -2.171 -5.702 1.00 6.14 N ATOM 0 H LYS A 81 6.823 0.292 -3.161 1.00 0.99 H new ATOM 0 HA LYS A 81 7.245 0.492 -0.315 1.00 0.83 H new ATOM 0 HB2 LYS A 81 9.356 0.539 -2.484 1.00 0.83 H new ATOM 0 HB3 LYS A 81 9.476 -0.098 -0.855 1.00 0.83 H new ATOM 0 HG2 LYS A 81 9.213 -2.116 -1.911 1.00 1.76 H new ATOM 0 HG3 LYS A 81 7.508 -1.728 -1.793 1.00 1.76 H new ATOM 0 HD2 LYS A 81 8.172 -0.440 -4.150 1.00 2.65 H new ATOM 0 HD3 LYS A 81 9.276 -1.801 -4.196 1.00 2.65 H new ATOM 0 HE2 LYS A 81 7.448 -3.404 -4.070 1.00 4.58 H new ATOM 0 HE3 LYS A 81 6.286 -2.149 -3.686 1.00 4.58 H new ATOM 0 HZ1 LYS A 81 6.143 -2.799 -5.996 1.00 6.14 H new ATOM 0 HZ2 LYS A 81 6.648 -1.182 -5.877 1.00 6.14 H new ATOM 0 HZ3 LYS A 81 7.773 -2.398 -6.249 1.00 6.14 H new ATOM 1200 N ILE A 82 8.034 2.815 0.078 1.00 0.90 N ATOM 1201 CA ILE A 82 8.185 4.229 0.428 1.00 1.02 C ATOM 1202 C ILE A 82 9.667 4.615 0.338 1.00 0.96 C ATOM 1203 O ILE A 82 10.263 5.189 1.243 1.00 1.54 O ATOM 1204 CB ILE A 82 7.503 4.418 1.816 1.00 1.11 C ATOM 1205 CG1 ILE A 82 5.999 4.583 1.573 1.00 1.50 C ATOM 1206 CG2 ILE A 82 7.994 5.528 2.766 1.00 1.88 C ATOM 1207 CD1 ILE A 82 5.163 4.316 2.833 1.00 1.80 C ATOM 0 H ILE A 82 8.013 2.211 0.900 1.00 0.90 H new ATOM 0 HA ILE A 82 7.692 4.916 -0.260 1.00 1.02 H new ATOM 0 HB ILE A 82 7.789 3.521 2.366 1.00 1.11 H new ATOM 0 HG12 ILE A 82 5.801 5.594 1.218 1.00 1.50 H new ATOM 0 HG13 ILE A 82 5.686 3.901 0.783 1.00 1.50 H new ATOM 0 HG21 ILE A 82 7.404 5.510 3.682 1.00 1.88 H new ATOM 0 HG22 ILE A 82 9.044 5.362 3.007 1.00 1.88 H new ATOM 0 HG23 ILE A 82 7.882 6.498 2.281 1.00 1.88 H new ATOM 0 HD11 ILE A 82 4.106 4.447 2.603 1.00 1.80 H new ATOM 0 HD12 ILE A 82 5.336 3.296 3.175 1.00 1.80 H new ATOM 0 HD13 ILE A 82 5.453 5.015 3.617 1.00 1.80 H new ATOM 1219 N GLU A 83 10.265 4.396 -0.832 1.00 0.70 N ATOM 1220 CA GLU A 83 11.659 4.734 -1.059 1.00 0.72 C ATOM 1221 C GLU A 83 11.734 6.160 -1.602 1.00 0.98 C ATOM 1222 O GLU A 83 11.564 6.375 -2.805 1.00 1.56 O ATOM 1223 CB GLU A 83 12.284 3.708 -2.005 1.00 0.90 C ATOM 1224 CG GLU A 83 13.807 3.855 -2.008 1.00 0.99 C ATOM 1225 CD GLU A 83 14.411 2.964 -3.083 1.00 1.55 C ATOM 1226 OE1 GLU A 83 14.141 3.267 -4.266 1.00 2.54 O ATOM 1227 OE2 GLU A 83 15.099 1.993 -2.706 1.00 2.03 O ATOM 0 H GLU A 83 9.798 3.983 -1.639 1.00 0.70 H new ATOM 0 HA GLU A 83 12.229 4.700 -0.131 1.00 0.72 H new ATOM 0 HB2 GLU A 83 12.009 2.700 -1.694 1.00 0.90 H new ATOM 0 HB3 GLU A 83 11.895 3.848 -3.014 1.00 0.90 H new ATOM 0 HG2 GLU A 83 14.080 4.895 -2.189 1.00 0.99 H new ATOM 0 HG3 GLU A 83 14.209 3.585 -1.031 1.00 0.99 H new ATOM 1234 N HIS A 84 11.939 7.147 -0.723 1.00 0.83 N ATOM 1235 CA HIS A 84 12.056 8.547 -1.136 1.00 1.04 C ATOM 1236 C HIS A 84 13.080 9.358 -0.330 1.00 0.81 C ATOM 1237 O HIS A 84 13.411 10.469 -0.742 1.00 1.17 O ATOM 1238 CB HIS A 84 10.668 9.204 -1.006 1.00 2.05 C ATOM 1239 CG HIS A 84 10.465 10.455 -1.833 1.00 2.05 C ATOM 1240 ND1 HIS A 84 11.448 11.241 -2.391 1.00 2.72 N ATOM 1241 CD2 HIS A 84 9.261 10.995 -2.195 1.00 2.43 C ATOM 1242 CE1 HIS A 84 10.846 12.210 -3.100 1.00 3.57 C ATOM 1243 NE2 HIS A 84 9.512 12.090 -3.026 1.00 3.39 N ATOM 0 H HIS A 84 12.027 7.000 0.282 1.00 0.83 H new ATOM 0 HA HIS A 84 12.417 8.549 -2.164 1.00 1.04 H new ATOM 0 HB2 HIS A 84 9.910 8.474 -1.290 1.00 2.05 H new ATOM 0 HB3 HIS A 84 10.497 9.449 0.042 1.00 2.05 H new ATOM 0 HD1 HIS A 84 12.454 11.111 -2.285 1.00 2.72 H new ATOM 0 HD2 HIS A 84 8.288 10.638 -1.892 1.00 2.43 H new ATOM 0 HE1 HIS A 84 11.364 12.979 -3.653 1.00 3.57 H new ATOM 1251 N LEU A 85 13.572 8.858 0.806 1.00 0.73 N ATOM 1252 CA LEU A 85 14.087 9.738 1.848 1.00 0.98 C ATOM 1253 C LEU A 85 15.583 9.545 2.068 1.00 1.18 C ATOM 1254 O LEU A 85 16.092 8.430 2.001 1.00 1.42 O ATOM 1255 CB LEU A 85 13.284 9.546 3.142 1.00 1.14 C ATOM 1256 CG LEU A 85 11.803 9.883 2.952 1.00 1.34 C ATOM 1257 CD1 LEU A 85 10.931 8.644 2.706 1.00 1.47 C ATOM 1258 CD2 LEU A 85 11.228 10.688 4.121 1.00 1.80 C ATOM 0 H LEU A 85 13.623 7.863 1.023 1.00 0.73 H new ATOM 0 HA LEU A 85 13.960 10.769 1.519 1.00 0.98 H new ATOM 0 HB2 LEU A 85 13.381 8.514 3.479 1.00 1.14 H new ATOM 0 HB3 LEU A 85 13.702 10.178 3.926 1.00 1.14 H new ATOM 0 HG LEU A 85 11.773 10.502 2.055 1.00 1.34 H new ATOM 0 HD11 LEU A 85 9.892 8.949 2.579 1.00 1.47 H new ATOM 0 HD12 LEU A 85 11.271 8.133 1.806 1.00 1.47 H new ATOM 0 HD13 LEU A 85 11.009 7.969 3.558 1.00 1.47 H new ATOM 0 HD21 LEU A 85 10.175 10.900 3.934 1.00 1.80 H new ATOM 0 HD22 LEU A 85 11.325 10.112 5.042 1.00 1.80 H new ATOM 0 HD23 LEU A 85 11.774 11.626 4.221 1.00 1.80 H new ATOM 1270 N LYS A 86 16.276 10.650 2.366 1.00 1.62 N ATOM 1271 CA LYS A 86 17.719 10.693 2.556 1.00 2.07 C ATOM 1272 C LYS A 86 18.214 9.785 3.692 1.00 1.75 C ATOM 1273 O LYS A 86 19.383 9.413 3.716 1.00 2.20 O ATOM 1274 CB LYS A 86 18.196 12.148 2.721 1.00 2.78 C ATOM 1275 CG LYS A 86 17.337 13.075 3.599 1.00 2.84 C ATOM 1276 CD LYS A 86 16.991 12.464 4.961 1.00 3.04 C ATOM 1277 CE LYS A 86 16.581 13.486 6.027 1.00 3.32 C ATOM 1278 NZ LYS A 86 16.139 12.801 7.261 1.00 3.87 N ATOM 0 H LYS A 86 15.831 11.560 2.483 1.00 1.62 H new ATOM 0 HA LYS A 86 18.172 10.284 1.653 1.00 2.07 H new ATOM 0 HB2 LYS A 86 19.204 12.128 3.136 1.00 2.78 H new ATOM 0 HB3 LYS A 86 18.269 12.594 1.729 1.00 2.78 H new ATOM 0 HG2 LYS A 86 17.868 14.014 3.753 1.00 2.84 H new ATOM 0 HG3 LYS A 86 16.414 13.314 3.070 1.00 2.84 H new ATOM 0 HD2 LYS A 86 16.179 11.749 4.829 1.00 3.04 H new ATOM 0 HD3 LYS A 86 17.853 11.904 5.324 1.00 3.04 H new ATOM 0 HE2 LYS A 86 17.421 14.144 6.250 1.00 3.32 H new ATOM 0 HE3 LYS A 86 15.777 14.115 5.645 1.00 3.32 H new ATOM 0 HZ1 LYS A 86 16.552 13.276 8.089 1.00 3.87 H new ATOM 0 HZ2 LYS A 86 15.101 12.835 7.324 1.00 3.87 H new ATOM 0 HZ3 LYS A 86 16.452 11.810 7.239 1.00 3.87 H new ATOM 1292 N SER A 87 17.343 9.463 4.654 1.00 1.20 N ATOM 1293 CA SER A 87 17.677 8.621 5.792 1.00 1.05 C ATOM 1294 C SER A 87 17.191 7.210 5.458 1.00 0.94 C ATOM 1295 O SER A 87 15.978 7.040 5.319 1.00 0.89 O ATOM 1296 CB SER A 87 16.988 9.167 7.048 1.00 1.11 C ATOM 1297 OG SER A 87 17.473 10.466 7.364 1.00 1.41 O ATOM 0 H SER A 87 16.376 9.787 4.658 1.00 1.20 H new ATOM 0 HA SER A 87 18.749 8.608 5.987 1.00 1.05 H new ATOM 0 HB2 SER A 87 15.910 9.204 6.890 1.00 1.11 H new ATOM 0 HB3 SER A 87 17.164 8.494 7.887 1.00 1.11 H new ATOM 0 HG SER A 87 17.456 10.594 8.335 1.00 1.41 H new ATOM 1303 N PRO A 88 18.077 6.212 5.304 1.00 1.08 N ATOM 1304 CA PRO A 88 17.702 4.906 4.787 1.00 1.10 C ATOM 1305 C PRO A 88 16.580 4.271 5.609 1.00 1.11 C ATOM 1306 O PRO A 88 15.689 3.644 5.039 1.00 1.41 O ATOM 1307 CB PRO A 88 18.984 4.067 4.753 1.00 1.43 C ATOM 1308 CG PRO A 88 19.937 4.789 5.704 1.00 1.57 C ATOM 1309 CD PRO A 88 19.493 6.249 5.633 1.00 1.38 C ATOM 0 HA PRO A 88 17.286 4.980 3.782 1.00 1.10 H new ATOM 0 HB2 PRO A 88 18.798 3.044 5.079 1.00 1.43 H new ATOM 0 HB3 PRO A 88 19.395 4.011 3.745 1.00 1.43 H new ATOM 0 HG2 PRO A 88 19.861 4.398 6.718 1.00 1.57 H new ATOM 0 HG3 PRO A 88 20.975 4.672 5.394 1.00 1.57 H new ATOM 0 HD2 PRO A 88 19.662 6.756 6.583 1.00 1.38 H new ATOM 0 HD3 PRO A 88 20.057 6.794 4.876 1.00 1.38 H new ATOM 1317 N GLU A 89 16.582 4.484 6.928 1.00 1.09 N ATOM 1318 CA GLU A 89 15.545 4.048 7.855 1.00 1.24 C ATOM 1319 C GLU A 89 14.154 4.385 7.320 1.00 1.13 C ATOM 1320 O GLU A 89 13.234 3.572 7.381 1.00 1.48 O ATOM 1321 CB GLU A 89 15.745 4.709 9.228 1.00 1.54 C ATOM 1322 CG GLU A 89 16.946 4.154 10.009 1.00 2.00 C ATOM 1323 CD GLU A 89 18.247 4.282 9.237 1.00 2.71 C ATOM 1324 OE1 GLU A 89 18.937 3.248 9.119 1.00 4.12 O ATOM 1325 OE2 GLU A 89 18.453 5.380 8.669 1.00 3.09 O ATOM 0 H GLU A 89 17.339 4.985 7.393 1.00 1.09 H new ATOM 0 HA GLU A 89 15.623 2.966 7.961 1.00 1.24 H new ATOM 0 HB2 GLU A 89 15.877 5.782 9.089 1.00 1.54 H new ATOM 0 HB3 GLU A 89 14.842 4.573 9.822 1.00 1.54 H new ATOM 0 HG2 GLU A 89 17.036 4.684 10.957 1.00 2.00 H new ATOM 0 HG3 GLU A 89 16.769 3.105 10.246 1.00 2.00 H new ATOM 1332 N LEU A 90 14.008 5.606 6.801 1.00 0.99 N ATOM 1333 CA LEU A 90 12.734 6.125 6.343 1.00 0.96 C ATOM 1334 C LEU A 90 12.321 5.482 5.018 1.00 0.84 C ATOM 1335 O LEU A 90 11.172 5.643 4.617 1.00 1.06 O ATOM 1336 CB LEU A 90 12.803 7.654 6.210 1.00 0.98 C ATOM 1337 CG LEU A 90 12.712 8.457 7.516 1.00 1.21 C ATOM 1338 CD1 LEU A 90 11.279 8.474 8.059 1.00 1.37 C ATOM 1339 CD2 LEU A 90 13.691 7.988 8.599 1.00 2.04 C ATOM 0 H LEU A 90 14.782 6.261 6.689 1.00 0.99 H new ATOM 0 HA LEU A 90 11.975 5.873 7.083 1.00 0.96 H new ATOM 0 HB2 LEU A 90 13.739 7.912 5.715 1.00 0.98 H new ATOM 0 HB3 LEU A 90 11.995 7.977 5.553 1.00 0.98 H new ATOM 0 HG LEU A 90 13.007 9.473 7.255 1.00 1.21 H new ATOM 0 HD11 LEU A 90 11.247 9.050 8.984 1.00 1.37 H new ATOM 0 HD12 LEU A 90 10.617 8.931 7.324 1.00 1.37 H new ATOM 0 HD13 LEU A 90 10.952 7.453 8.256 1.00 1.37 H new ATOM 0 HD21 LEU A 90 13.568 8.602 9.491 1.00 2.04 H new ATOM 0 HD22 LEU A 90 13.489 6.946 8.845 1.00 2.04 H new ATOM 0 HD23 LEU A 90 14.713 8.083 8.231 1.00 2.04 H new ATOM 1351 N ASN A 91 13.217 4.767 4.320 1.00 0.64 N ATOM 1352 CA ASN A 91 12.871 4.027 3.112 1.00 0.61 C ATOM 1353 C ASN A 91 12.052 2.798 3.510 1.00 0.62 C ATOM 1354 O ASN A 91 12.522 1.666 3.430 1.00 0.94 O ATOM 1355 CB ASN A 91 14.122 3.639 2.301 1.00 0.75 C ATOM 1356 CG ASN A 91 15.036 4.806 1.919 1.00 1.00 C ATOM 1357 OD1 ASN A 91 16.129 4.592 1.407 1.00 2.25 O ATOM 1358 ND2 ASN A 91 14.634 6.047 2.183 1.00 0.93 N ATOM 0 H ASN A 91 14.200 4.690 4.583 1.00 0.64 H new ATOM 0 HA ASN A 91 12.274 4.664 2.459 1.00 0.61 H new ATOM 0 HB2 ASN A 91 14.701 2.918 2.878 1.00 0.75 H new ATOM 0 HB3 ASN A 91 13.803 3.134 1.389 1.00 0.75 H new ATOM 0 HD21 ASN A 91 15.239 6.837 1.959 1.00 0.93 H new ATOM 0 HD22 ASN A 91 13.721 6.208 2.609 1.00 0.93 H new ATOM 1365 N VAL A 92 10.828 3.035 3.981 1.00 0.73 N ATOM 1366 CA VAL A 92 9.931 2.000 4.455 1.00 0.71 C ATOM 1367 C VAL A 92 9.570 1.085 3.286 1.00 0.69 C ATOM 1368 O VAL A 92 9.147 1.582 2.243 1.00 0.82 O ATOM 1369 CB VAL A 92 8.680 2.648 5.080 1.00 0.72 C ATOM 1370 CG1 VAL A 92 7.507 1.673 5.228 1.00 0.97 C ATOM 1371 CG2 VAL A 92 8.988 3.231 6.459 1.00 1.14 C ATOM 0 H VAL A 92 10.431 3.973 4.042 1.00 0.73 H new ATOM 0 HA VAL A 92 10.413 1.399 5.226 1.00 0.71 H new ATOM 0 HB VAL A 92 8.390 3.437 4.386 1.00 0.72 H new ATOM 0 HG11 VAL A 92 6.658 2.191 5.674 1.00 0.97 H new ATOM 0 HG12 VAL A 92 7.225 1.291 4.247 1.00 0.97 H new ATOM 0 HG13 VAL A 92 7.803 0.842 5.869 1.00 0.97 H new ATOM 0 HG21 VAL A 92 8.086 3.681 6.874 1.00 1.14 H new ATOM 0 HG22 VAL A 92 9.335 2.437 7.121 1.00 1.14 H new ATOM 0 HG23 VAL A 92 9.764 3.991 6.368 1.00 1.14 H new ATOM 1381 N ASP A 93 9.668 -0.236 3.459 1.00 0.62 N ATOM 1382 CA ASP A 93 8.964 -1.137 2.561 1.00 0.70 C ATOM 1383 C ASP A 93 7.549 -1.351 3.091 1.00 1.00 C ATOM 1384 O ASP A 93 7.320 -1.346 4.302 1.00 1.12 O ATOM 1385 CB ASP A 93 9.689 -2.473 2.387 1.00 0.84 C ATOM 1386 CG ASP A 93 8.936 -3.360 1.400 1.00 1.86 C ATOM 1387 OD1 ASP A 93 8.297 -2.780 0.490 1.00 2.91 O ATOM 1388 OD2 ASP A 93 8.979 -4.593 1.590 1.00 2.95 O ATOM 0 H ASP A 93 10.213 -0.690 4.192 1.00 0.62 H new ATOM 0 HA ASP A 93 8.928 -0.680 1.572 1.00 0.70 H new ATOM 0 HB2 ASP A 93 10.704 -2.300 2.029 1.00 0.84 H new ATOM 0 HB3 ASP A 93 9.772 -2.978 3.350 1.00 0.84 H new ATOM 1393 N LEU A 94 6.618 -1.537 2.164 1.00 1.23 N ATOM 1394 CA LEU A 94 5.220 -1.851 2.393 1.00 1.58 C ATOM 1395 C LEU A 94 5.024 -3.296 1.948 1.00 1.67 C ATOM 1396 O LEU A 94 5.120 -3.595 0.761 1.00 1.97 O ATOM 1397 CB LEU A 94 4.349 -0.866 1.596 1.00 1.89 C ATOM 1398 CG LEU A 94 3.998 0.367 2.444 1.00 1.83 C ATOM 1399 CD1 LEU A 94 3.535 1.556 1.604 1.00 2.42 C ATOM 1400 CD2 LEU A 94 2.832 0.030 3.364 1.00 2.14 C ATOM 0 H LEU A 94 6.837 -1.467 1.170 1.00 1.23 H new ATOM 0 HA LEU A 94 4.930 -1.753 3.439 1.00 1.58 H new ATOM 0 HB2 LEU A 94 4.877 -0.554 0.695 1.00 1.89 H new ATOM 0 HB3 LEU A 94 3.434 -1.363 1.273 1.00 1.89 H new ATOM 0 HG LEU A 94 4.908 0.632 2.983 1.00 1.83 H new ATOM 0 HD11 LEU A 94 3.302 2.395 2.259 1.00 2.42 H new ATOM 0 HD12 LEU A 94 4.327 1.844 0.913 1.00 2.42 H new ATOM 0 HD13 LEU A 94 2.645 1.278 1.040 1.00 2.42 H new ATOM 0 HD21 LEU A 94 2.580 0.902 3.967 1.00 2.14 H new ATOM 0 HD22 LEU A 94 1.968 -0.259 2.766 1.00 2.14 H new ATOM 0 HD23 LEU A 94 3.112 -0.795 4.019 1.00 2.14 H new ATOM 1412 N ALA A 95 4.787 -4.200 2.901 1.00 1.50 N ATOM 1413 CA ALA A 95 4.902 -5.627 2.660 1.00 1.51 C ATOM 1414 C ALA A 95 3.665 -6.163 1.946 1.00 1.34 C ATOM 1415 O ALA A 95 2.606 -5.530 1.947 1.00 1.36 O ATOM 1416 CB ALA A 95 5.123 -6.357 3.989 1.00 1.53 C ATOM 0 H ALA A 95 4.512 -3.959 3.853 1.00 1.50 H new ATOM 0 HA ALA A 95 5.759 -5.805 2.010 1.00 1.51 H new ATOM 0 HB1 ALA A 95 5.209 -7.428 3.806 1.00 1.53 H new ATOM 0 HB2 ALA A 95 6.039 -5.994 4.456 1.00 1.53 H new ATOM 0 HB3 ALA A 95 4.279 -6.169 4.652 1.00 1.53 H new ATOM 1422 N ALA A 96 3.816 -7.356 1.363 1.00 1.26 N ATOM 1423 CA ALA A 96 2.766 -8.050 0.642 1.00 1.12 C ATOM 1424 C ALA A 96 1.791 -8.724 1.595 1.00 1.08 C ATOM 1425 O ALA A 96 2.178 -9.205 2.658 1.00 1.73 O ATOM 1426 CB ALA A 96 3.378 -9.059 -0.332 1.00 1.20 C ATOM 0 H ALA A 96 4.696 -7.871 1.385 1.00 1.26 H new ATOM 0 HA ALA A 96 2.199 -7.316 0.069 1.00 1.12 H new ATOM 0 HB1 ALA A 96 2.582 -9.575 -0.869 1.00 1.20 H new ATOM 0 HB2 ALA A 96 4.016 -8.536 -1.044 1.00 1.20 H new ATOM 0 HB3 ALA A 96 3.972 -9.785 0.222 1.00 1.20 H new ATOM 1432 N ALA A 97 0.515 -8.724 1.204 1.00 0.70 N ATOM 1433 CA ALA A 97 -0.559 -9.368 1.933 1.00 0.59 C ATOM 1434 C ALA A 97 -1.690 -9.680 0.963 1.00 0.65 C ATOM 1435 O ALA A 97 -2.084 -8.817 0.180 1.00 1.09 O ATOM 1436 CB ALA A 97 -1.046 -8.450 3.050 1.00 0.86 C ATOM 0 H ALA A 97 0.201 -8.263 0.350 1.00 0.70 H new ATOM 0 HA ALA A 97 -0.205 -10.296 2.383 1.00 0.59 H new ATOM 0 HB1 ALA A 97 -1.854 -8.938 3.596 1.00 0.86 H new ATOM 0 HB2 ALA A 97 -0.223 -8.239 3.732 1.00 0.86 H new ATOM 0 HB3 ALA A 97 -1.410 -7.517 2.621 1.00 0.86 H new ATOM 1442 N ASP A 98 -2.191 -10.909 1.018 1.00 0.70 N ATOM 1443 CA ASP A 98 -3.212 -11.427 0.123 1.00 0.91 C ATOM 1444 C ASP A 98 -4.583 -10.924 0.560 1.00 1.09 C ATOM 1445 O ASP A 98 -4.842 -10.787 1.755 1.00 1.56 O ATOM 1446 CB ASP A 98 -3.203 -12.962 0.188 1.00 1.25 C ATOM 1447 CG ASP A 98 -1.819 -13.544 -0.046 1.00 2.72 C ATOM 1448 OD1 ASP A 98 -0.989 -13.370 0.875 1.00 3.51 O ATOM 1449 OD2 ASP A 98 -1.622 -14.136 -1.127 1.00 3.84 O ATOM 0 H ASP A 98 -1.886 -11.593 1.711 1.00 0.70 H new ATOM 0 HA ASP A 98 -3.007 -11.091 -0.893 1.00 0.91 H new ATOM 0 HB2 ASP A 98 -3.569 -13.284 1.163 1.00 1.25 H new ATOM 0 HB3 ASP A 98 -3.892 -13.359 -0.558 1.00 1.25 H new ATOM 1454 N ILE A 99 -5.483 -10.691 -0.397 1.00 0.96 N ATOM 1455 CA ILE A 99 -6.867 -10.366 -0.145 1.00 1.10 C ATOM 1456 C ILE A 99 -7.744 -11.332 -0.940 1.00 1.52 C ATOM 1457 O ILE A 99 -7.899 -11.180 -2.150 1.00 2.04 O ATOM 1458 CB ILE A 99 -7.115 -8.889 -0.468 1.00 0.85 C ATOM 1459 CG1 ILE A 99 -8.613 -8.592 -0.523 1.00 0.96 C ATOM 1460 CG2 ILE A 99 -6.473 -8.412 -1.766 1.00 0.98 C ATOM 1461 CD1 ILE A 99 -8.841 -7.235 0.125 1.00 1.70 C ATOM 0 H ILE A 99 -5.253 -10.727 -1.390 1.00 0.96 H new ATOM 0 HA ILE A 99 -7.126 -10.490 0.907 1.00 1.10 H new ATOM 0 HB ILE A 99 -6.638 -8.341 0.344 1.00 0.85 H new ATOM 0 HG12 ILE A 99 -8.964 -8.587 -1.555 1.00 0.96 H new ATOM 0 HG13 ILE A 99 -9.175 -9.365 0.001 1.00 0.96 H new ATOM 0 HG21 ILE A 99 -6.699 -7.356 -1.917 1.00 0.98 H new ATOM 0 HG22 ILE A 99 -5.393 -8.548 -1.709 1.00 0.98 H new ATOM 0 HG23 ILE A 99 -6.868 -8.990 -2.601 1.00 0.98 H new ATOM 0 HD11 ILE A 99 -9.904 -6.994 0.101 1.00 1.70 H new ATOM 0 HD12 ILE A 99 -8.499 -7.264 1.159 1.00 1.70 H new ATOM 0 HD13 ILE A 99 -8.284 -6.473 -0.420 1.00 1.70 H new ATOM 1473 N LYS A 100 -8.305 -12.330 -0.248 1.00 1.95 N ATOM 1474 CA LYS A 100 -9.409 -13.139 -0.735 1.00 2.47 C ATOM 1475 C LYS A 100 -10.670 -13.136 0.158 1.00 2.10 C ATOM 1476 O LYS A 100 -11.724 -13.493 -0.357 1.00 3.13 O ATOM 1477 CB LYS A 100 -8.904 -14.534 -1.124 1.00 4.04 C ATOM 1478 CG LYS A 100 -8.510 -15.422 0.062 1.00 4.31 C ATOM 1479 CD LYS A 100 -9.658 -16.347 0.474 1.00 5.39 C ATOM 1480 CE LYS A 100 -9.754 -17.520 -0.519 1.00 6.92 C ATOM 1481 NZ LYS A 100 -10.906 -18.396 -0.254 1.00 8.02 N ATOM 0 H LYS A 100 -7.992 -12.597 0.685 1.00 1.95 H new ATOM 0 HA LYS A 100 -9.783 -12.658 -1.639 1.00 2.47 H new ATOM 0 HB2 LYS A 100 -9.680 -15.040 -1.698 1.00 4.04 H new ATOM 0 HB3 LYS A 100 -8.041 -14.424 -1.781 1.00 4.04 H new ATOM 0 HG2 LYS A 100 -7.637 -16.019 -0.203 1.00 4.31 H new ATOM 0 HG3 LYS A 100 -8.224 -14.796 0.907 1.00 4.31 H new ATOM 0 HD2 LYS A 100 -9.491 -16.724 1.483 1.00 5.39 H new ATOM 0 HD3 LYS A 100 -10.597 -15.793 0.491 1.00 5.39 H new ATOM 0 HE2 LYS A 100 -9.827 -17.127 -1.533 1.00 6.92 H new ATOM 0 HE3 LYS A 100 -8.837 -18.108 -0.470 1.00 6.92 H new ATOM 0 HZ1 LYS A 100 -10.712 -19.347 -0.628 1.00 8.02 H new ATOM 0 HZ2 LYS A 100 -11.069 -18.454 0.771 1.00 8.02 H new ATOM 0 HZ3 LYS A 100 -11.752 -18.007 -0.718 1.00 8.02 H new ATOM 1495 N PRO A 101 -10.660 -12.753 1.457 1.00 1.62 N ATOM 1496 CA PRO A 101 -11.898 -12.631 2.222 1.00 2.06 C ATOM 1497 C PRO A 101 -12.447 -11.201 2.088 1.00 1.60 C ATOM 1498 O PRO A 101 -12.949 -10.623 3.052 1.00 2.16 O ATOM 1499 CB PRO A 101 -11.480 -12.948 3.659 1.00 3.28 C ATOM 1500 CG PRO A 101 -10.118 -12.263 3.747 1.00 3.39 C ATOM 1501 CD PRO A 101 -9.539 -12.441 2.339 1.00 2.29 C ATOM 0 HA PRO A 101 -12.692 -13.295 1.881 1.00 2.06 H new ATOM 0 HB2 PRO A 101 -12.186 -12.549 4.387 1.00 3.28 H new ATOM 0 HB3 PRO A 101 -11.410 -14.021 3.837 1.00 3.28 H new ATOM 0 HG2 PRO A 101 -10.214 -11.210 4.012 1.00 3.39 H new ATOM 0 HG3 PRO A 101 -9.484 -12.725 4.504 1.00 3.39 H new ATOM 0 HD2 PRO A 101 -9.031 -11.533 2.012 1.00 2.29 H new ATOM 0 HD3 PRO A 101 -8.800 -13.242 2.323 1.00 2.29 H new ATOM 1509 N ASP A 102 -12.306 -10.602 0.905 1.00 2.08 N ATOM 1510 CA ASP A 102 -12.654 -9.217 0.632 1.00 2.67 C ATOM 1511 C ASP A 102 -14.135 -8.946 0.896 1.00 1.98 C ATOM 1512 O ASP A 102 -15.022 -9.613 0.364 1.00 2.75 O ATOM 1513 CB ASP A 102 -12.254 -8.825 -0.798 1.00 3.94 C ATOM 1514 CG ASP A 102 -12.282 -9.990 -1.777 1.00 5.67 C ATOM 1515 OD1 ASP A 102 -11.378 -10.836 -1.639 1.00 6.55 O ATOM 1516 OD2 ASP A 102 -13.222 -10.072 -2.593 1.00 6.65 O ATOM 0 H ASP A 102 -11.934 -11.087 0.088 1.00 2.08 H new ATOM 0 HA ASP A 102 -12.088 -8.590 1.321 1.00 2.67 H new ATOM 0 HB2 ASP A 102 -12.927 -8.045 -1.154 1.00 3.94 H new ATOM 0 HB3 ASP A 102 -11.251 -8.398 -0.782 1.00 3.94 H new ATOM 1521 N GLY A 103 -14.406 -7.937 1.725 1.00 2.19 N ATOM 1522 CA GLY A 103 -15.742 -7.628 2.195 1.00 2.88 C ATOM 1523 C GLY A 103 -16.596 -6.956 1.123 1.00 2.24 C ATOM 1524 O GLY A 103 -16.835 -5.757 1.214 1.00 3.17 O ATOM 0 H GLY A 103 -13.690 -7.308 2.089 1.00 2.19 H new ATOM 0 HA2 GLY A 103 -16.230 -8.546 2.522 1.00 2.88 H new ATOM 0 HA3 GLY A 103 -15.676 -6.975 3.065 1.00 2.88 H new ATOM 1528 N LYS A 104 -17.096 -7.745 0.161 1.00 1.46 N ATOM 1529 CA LYS A 104 -18.159 -7.380 -0.777 1.00 1.78 C ATOM 1530 C LYS A 104 -17.634 -6.446 -1.873 1.00 1.73 C ATOM 1531 O LYS A 104 -17.453 -5.256 -1.633 1.00 2.47 O ATOM 1532 CB LYS A 104 -19.356 -6.769 -0.025 1.00 2.54 C ATOM 1533 CG LYS A 104 -20.600 -6.617 -0.910 1.00 3.72 C ATOM 1534 CD LYS A 104 -21.807 -6.092 -0.116 1.00 4.74 C ATOM 1535 CE LYS A 104 -21.548 -4.704 0.493 1.00 4.65 C ATOM 1536 NZ LYS A 104 -22.759 -4.127 1.112 1.00 5.91 N ATOM 0 H LYS A 104 -16.754 -8.694 0.012 1.00 1.46 H new ATOM 0 HA LYS A 104 -18.508 -8.286 -1.273 1.00 1.78 H new ATOM 0 HB2 LYS A 104 -19.600 -7.397 0.832 1.00 2.54 H new ATOM 0 HB3 LYS A 104 -19.073 -5.792 0.367 1.00 2.54 H new ATOM 0 HG2 LYS A 104 -20.380 -5.934 -1.731 1.00 3.72 H new ATOM 0 HG3 LYS A 104 -20.849 -7.580 -1.355 1.00 3.72 H new ATOM 0 HD2 LYS A 104 -22.676 -6.042 -0.772 1.00 4.74 H new ATOM 0 HD3 LYS A 104 -22.049 -6.796 0.680 1.00 4.74 H new ATOM 0 HE2 LYS A 104 -20.761 -4.780 1.243 1.00 4.65 H new ATOM 0 HE3 LYS A 104 -21.184 -4.031 -0.284 1.00 4.65 H new ATOM 0 HZ1 LYS A 104 -22.534 -3.192 1.508 1.00 5.91 H new ATOM 0 HZ2 LYS A 104 -23.503 -4.028 0.392 1.00 5.91 H new ATOM 0 HZ3 LYS A 104 -23.093 -4.754 1.872 1.00 5.91 H new ATOM 1550 N ARG A 105 -17.405 -6.984 -3.079 1.00 1.85 N ATOM 1551 CA ARG A 105 -16.605 -6.364 -4.138 1.00 1.84 C ATOM 1552 C ARG A 105 -15.174 -6.208 -3.627 1.00 1.71 C ATOM 1553 O ARG A 105 -14.279 -6.948 -4.023 1.00 2.74 O ATOM 1554 CB ARG A 105 -17.163 -5.016 -4.638 1.00 2.02 C ATOM 1555 CG ARG A 105 -18.475 -5.139 -5.432 1.00 2.76 C ATOM 1556 CD ARG A 105 -19.177 -3.774 -5.593 1.00 3.14 C ATOM 1557 NE ARG A 105 -19.082 -3.129 -6.921 1.00 4.09 N ATOM 1558 CZ ARG A 105 -17.972 -2.676 -7.530 1.00 4.90 C ATOM 1559 NH1 ARG A 105 -16.804 -3.277 -7.367 1.00 5.11 N ATOM 1560 NH2 ARG A 105 -18.021 -1.605 -8.327 1.00 6.30 N ATOM 0 H ARG A 105 -17.784 -7.891 -3.350 1.00 1.85 H new ATOM 0 HA ARG A 105 -16.639 -7.020 -5.008 1.00 1.84 H new ATOM 0 HB2 ARG A 105 -17.328 -4.363 -3.781 1.00 2.02 H new ATOM 0 HB3 ARG A 105 -16.414 -4.535 -5.266 1.00 2.02 H new ATOM 0 HG2 ARG A 105 -18.266 -5.559 -6.416 1.00 2.76 H new ATOM 0 HG3 ARG A 105 -19.144 -5.834 -4.924 1.00 2.76 H new ATOM 0 HD2 ARG A 105 -20.232 -3.904 -5.353 1.00 3.14 H new ATOM 0 HD3 ARG A 105 -18.764 -3.090 -4.852 1.00 3.14 H new ATOM 0 HE ARG A 105 -19.957 -3.015 -7.432 1.00 4.09 H new ATOM 0 HH11 ARG A 105 -16.733 -4.101 -6.770 1.00 5.11 H new ATOM 0 HH12 ARG A 105 -15.975 -2.916 -7.839 1.00 5.11 H new ATOM 0 HH21 ARG A 105 -18.907 -1.122 -8.479 1.00 6.30 H new ATOM 0 HH22 ARG A 105 -17.173 -1.270 -8.784 1.00 6.30 H new ATOM 1574 N HIS A 106 -14.957 -5.260 -2.721 1.00 1.71 N ATOM 1575 CA HIS A 106 -13.674 -5.050 -2.096 1.00 1.86 C ATOM 1576 C HIS A 106 -13.849 -4.140 -0.893 1.00 2.09 C ATOM 1577 O HIS A 106 -14.809 -3.375 -0.826 1.00 3.55 O ATOM 1578 CB HIS A 106 -12.694 -4.446 -3.100 1.00 2.30 C ATOM 1579 CG HIS A 106 -11.305 -4.343 -2.540 1.00 3.00 C ATOM 1580 ND1 HIS A 106 -10.362 -5.340 -2.563 1.00 3.87 N ATOM 1581 CD2 HIS A 106 -10.714 -3.212 -2.050 1.00 4.05 C ATOM 1582 CE1 HIS A 106 -9.201 -4.804 -2.152 1.00 4.96 C ATOM 1583 NE2 HIS A 106 -9.367 -3.513 -1.828 1.00 4.97 N ATOM 0 H HIS A 106 -15.680 -4.614 -2.403 1.00 1.71 H new ATOM 0 HA HIS A 106 -13.266 -6.004 -1.761 1.00 1.86 H new ATOM 0 HB2 HIS A 106 -12.676 -5.058 -4.002 1.00 2.30 H new ATOM 0 HB3 HIS A 106 -13.041 -3.455 -3.393 1.00 2.30 H new ATOM 0 HD1 HIS A 106 -10.515 -6.309 -2.841 1.00 3.87 H new ATOM 0 HD2 HIS A 106 -11.197 -2.263 -1.868 1.00 4.05 H new ATOM 0 HE1 HIS A 106 -8.264 -5.338 -2.091 1.00 4.96 H new ATOM 1591 N ALA A 107 -12.890 -4.215 0.030 1.00 1.35 N ATOM 1592 CA ALA A 107 -12.764 -3.284 1.129 1.00 1.87 C ATOM 1593 C ALA A 107 -11.303 -2.857 1.239 1.00 1.55 C ATOM 1594 O ALA A 107 -10.954 -1.767 0.792 1.00 1.68 O ATOM 1595 CB ALA A 107 -13.299 -3.937 2.401 1.00 2.73 C ATOM 0 H ALA A 107 -12.172 -4.939 0.027 1.00 1.35 H new ATOM 0 HA ALA A 107 -13.355 -2.383 0.964 1.00 1.87 H new ATOM 0 HB1 ALA A 107 -13.207 -3.240 3.234 1.00 2.73 H new ATOM 0 HB2 ALA A 107 -14.348 -4.200 2.262 1.00 2.73 H new ATOM 0 HB3 ALA A 107 -12.725 -4.838 2.617 1.00 2.73 H new ATOM 1601 N VAL A 108 -10.451 -3.709 1.820 1.00 1.27 N ATOM 1602 CA VAL A 108 -9.080 -3.360 2.151 1.00 1.07 C ATOM 1603 C VAL A 108 -8.218 -4.610 2.295 1.00 1.02 C ATOM 1604 O VAL A 108 -8.669 -5.615 2.839 1.00 1.32 O ATOM 1605 CB VAL A 108 -9.015 -2.583 3.478 1.00 1.13 C ATOM 1606 CG1 VAL A 108 -9.131 -1.075 3.268 1.00 1.36 C ATOM 1607 CG2 VAL A 108 -10.051 -3.086 4.494 1.00 1.34 C ATOM 0 H VAL A 108 -10.703 -4.665 2.072 1.00 1.27 H new ATOM 0 HA VAL A 108 -8.704 -2.740 1.337 1.00 1.07 H new ATOM 0 HB VAL A 108 -8.028 -2.776 3.899 1.00 1.13 H new ATOM 0 HG11 VAL A 108 -9.080 -0.568 4.232 1.00 1.36 H new ATOM 0 HG12 VAL A 108 -8.313 -0.732 2.634 1.00 1.36 H new ATOM 0 HG13 VAL A 108 -10.083 -0.847 2.788 1.00 1.36 H new ATOM 0 HG21 VAL A 108 -9.968 -2.508 5.415 1.00 1.34 H new ATOM 0 HG22 VAL A 108 -11.053 -2.968 4.081 1.00 1.34 H new ATOM 0 HG23 VAL A 108 -9.869 -4.139 4.709 1.00 1.34 H new ATOM 1617 N ILE A 109 -6.961 -4.490 1.874 1.00 0.85 N ATOM 1618 CA ILE A 109 -5.855 -5.377 2.185 1.00 0.78 C ATOM 1619 C ILE A 109 -5.386 -5.034 3.607 1.00 0.72 C ATOM 1620 O ILE A 109 -5.833 -4.040 4.180 1.00 0.97 O ATOM 1621 CB ILE A 109 -4.744 -5.128 1.138 1.00 0.92 C ATOM 1622 CG1 ILE A 109 -5.226 -5.391 -0.291 1.00 1.84 C ATOM 1623 CG2 ILE A 109 -3.460 -5.937 1.388 1.00 1.56 C ATOM 1624 CD1 ILE A 109 -4.503 -4.512 -1.312 1.00 2.50 C ATOM 0 H ILE A 109 -6.675 -3.720 1.269 1.00 0.85 H new ATOM 0 HA ILE A 109 -6.132 -6.431 2.148 1.00 0.78 H new ATOM 0 HB ILE A 109 -4.500 -4.072 1.254 1.00 0.92 H new ATOM 0 HG12 ILE A 109 -5.067 -6.440 -0.539 1.00 1.84 H new ATOM 0 HG13 ILE A 109 -6.299 -5.208 -0.351 1.00 1.84 H new ATOM 0 HG21 ILE A 109 -2.729 -5.708 0.613 1.00 1.56 H new ATOM 0 HG22 ILE A 109 -3.049 -5.675 2.363 1.00 1.56 H new ATOM 0 HG23 ILE A 109 -3.691 -7.002 1.366 1.00 1.56 H new ATOM 0 HD11 ILE A 109 -4.877 -4.733 -2.312 1.00 2.50 H new ATOM 0 HD12 ILE A 109 -4.683 -3.462 -1.081 1.00 2.50 H new ATOM 0 HD13 ILE A 109 -3.433 -4.714 -1.272 1.00 2.50 H new ATOM 1636 N SER A 110 -4.509 -5.841 4.213 1.00 0.65 N ATOM 1637 CA SER A 110 -4.025 -5.580 5.566 1.00 0.65 C ATOM 1638 C SER A 110 -2.575 -6.034 5.752 1.00 0.61 C ATOM 1639 O SER A 110 -2.320 -6.948 6.534 1.00 1.02 O ATOM 1640 CB SER A 110 -4.972 -6.222 6.586 1.00 0.78 C ATOM 1641 OG SER A 110 -6.295 -5.758 6.377 1.00 2.24 O ATOM 0 H SER A 110 -4.121 -6.681 3.784 1.00 0.65 H new ATOM 0 HA SER A 110 -4.023 -4.503 5.734 1.00 0.65 H new ATOM 0 HB2 SER A 110 -4.939 -7.307 6.492 1.00 0.78 H new ATOM 0 HB3 SER A 110 -4.648 -5.980 7.598 1.00 0.78 H new ATOM 0 HG SER A 110 -6.895 -6.174 7.031 1.00 2.24 H new ATOM 1647 N GLY A 111 -1.626 -5.419 5.034 1.00 0.58 N ATOM 1648 CA GLY A 111 -0.215 -5.775 5.153 1.00 0.55 C ATOM 1649 C GLY A 111 0.520 -5.027 6.272 1.00 0.48 C ATOM 1650 O GLY A 111 -0.035 -4.145 6.935 1.00 0.65 O ATOM 0 H GLY A 111 -1.815 -4.672 4.365 1.00 0.58 H new ATOM 0 HA2 GLY A 111 -0.134 -6.847 5.332 1.00 0.55 H new ATOM 0 HA3 GLY A 111 0.283 -5.571 4.205 1.00 0.55 H new ATOM 1654 N SER A 112 1.789 -5.401 6.468 1.00 0.58 N ATOM 1655 CA SER A 112 2.737 -4.827 7.419 1.00 0.53 C ATOM 1656 C SER A 112 3.642 -3.822 6.694 1.00 0.59 C ATOM 1657 O SER A 112 3.691 -3.829 5.464 1.00 0.88 O ATOM 1658 CB SER A 112 3.570 -5.966 8.021 1.00 0.86 C ATOM 1659 OG SER A 112 2.715 -7.034 8.385 1.00 1.43 O ATOM 0 H SER A 112 2.204 -6.162 5.930 1.00 0.58 H new ATOM 0 HA SER A 112 2.210 -4.303 8.216 1.00 0.53 H new ATOM 0 HB2 SER A 112 4.312 -6.309 7.300 1.00 0.86 H new ATOM 0 HB3 SER A 112 4.116 -5.609 8.894 1.00 0.86 H new ATOM 0 HG SER A 112 3.247 -7.763 8.768 1.00 1.43 H new ATOM 1665 N VAL A 113 4.386 -2.986 7.425 1.00 0.51 N ATOM 1666 CA VAL A 113 5.445 -2.165 6.837 1.00 0.55 C ATOM 1667 C VAL A 113 6.741 -2.372 7.619 1.00 0.48 C ATOM 1668 O VAL A 113 6.692 -2.645 8.817 1.00 0.58 O ATOM 1669 CB VAL A 113 5.049 -0.674 6.742 1.00 0.70 C ATOM 1670 CG1 VAL A 113 3.533 -0.436 6.777 1.00 0.94 C ATOM 1671 CG2 VAL A 113 5.703 0.183 7.831 1.00 0.77 C ATOM 0 H VAL A 113 4.272 -2.861 8.431 1.00 0.51 H new ATOM 0 HA VAL A 113 5.604 -2.489 5.808 1.00 0.55 H new ATOM 0 HB VAL A 113 5.423 -0.366 5.766 1.00 0.70 H new ATOM 0 HG11 VAL A 113 3.331 0.633 6.706 1.00 0.94 H new ATOM 0 HG12 VAL A 113 3.064 -0.950 5.938 1.00 0.94 H new ATOM 0 HG13 VAL A 113 3.126 -0.821 7.712 1.00 0.94 H new ATOM 0 HG21 VAL A 113 5.389 1.220 7.715 1.00 0.77 H new ATOM 0 HG22 VAL A 113 5.398 -0.181 8.812 1.00 0.77 H new ATOM 0 HG23 VAL A 113 6.787 0.120 7.741 1.00 0.77 H new ATOM 1681 N LEU A 114 7.886 -2.197 6.954 1.00 0.58 N ATOM 1682 CA LEU A 114 9.215 -2.313 7.540 1.00 0.64 C ATOM 1683 C LEU A 114 9.992 -1.029 7.284 1.00 0.67 C ATOM 1684 O LEU A 114 10.311 -0.699 6.146 1.00 0.74 O ATOM 1685 CB LEU A 114 9.914 -3.548 6.966 1.00 0.86 C ATOM 1686 CG LEU A 114 11.451 -3.590 7.063 1.00 0.82 C ATOM 1687 CD1 LEU A 114 11.901 -4.848 7.809 1.00 1.59 C ATOM 1688 CD2 LEU A 114 12.036 -3.612 5.643 1.00 1.92 C ATOM 0 H LEU A 114 7.909 -1.963 5.961 1.00 0.58 H new ATOM 0 HA LEU A 114 9.152 -2.446 8.620 1.00 0.64 H new ATOM 0 HB2 LEU A 114 9.518 -4.428 7.474 1.00 0.86 H new ATOM 0 HB3 LEU A 114 9.638 -3.635 5.915 1.00 0.86 H new ATOM 0 HG LEU A 114 11.801 -2.712 7.606 1.00 0.82 H new ATOM 0 HD11 LEU A 114 12.989 -4.865 7.870 1.00 1.59 H new ATOM 0 HD12 LEU A 114 11.481 -4.844 8.815 1.00 1.59 H new ATOM 0 HD13 LEU A 114 11.554 -5.732 7.274 1.00 1.59 H new ATOM 0 HD21 LEU A 114 13.124 -3.642 5.698 1.00 1.92 H new ATOM 0 HD22 LEU A 114 11.675 -4.494 5.114 1.00 1.92 H new ATOM 0 HD23 LEU A 114 11.724 -2.715 5.107 1.00 1.92 H new ATOM 1700 N TYR A 115 10.359 -0.352 8.368 1.00 0.82 N ATOM 1701 CA TYR A 115 11.223 0.817 8.400 1.00 1.00 C ATOM 1702 C TYR A 115 12.651 0.310 8.243 1.00 0.98 C ATOM 1703 O TYR A 115 13.400 0.237 9.216 1.00 1.11 O ATOM 1704 CB TYR A 115 10.966 1.545 9.733 1.00 1.25 C ATOM 1705 CG TYR A 115 11.887 2.689 10.129 1.00 1.86 C ATOM 1706 CD1 TYR A 115 12.852 2.462 11.131 1.00 3.36 C ATOM 1707 CD2 TYR A 115 11.525 4.013 9.814 1.00 2.32 C ATOM 1708 CE1 TYR A 115 13.383 3.531 11.868 1.00 4.30 C ATOM 1709 CE2 TYR A 115 12.058 5.085 10.553 1.00 3.06 C ATOM 1710 CZ TYR A 115 12.970 4.843 11.594 1.00 3.82 C ATOM 1711 OH TYR A 115 13.485 5.874 12.323 1.00 4.85 O ATOM 0 H TYR A 115 10.042 -0.622 9.299 1.00 0.82 H new ATOM 0 HA TYR A 115 11.033 1.534 7.601 1.00 1.00 H new ATOM 0 HB2 TYR A 115 9.948 1.934 9.706 1.00 1.25 H new ATOM 0 HB3 TYR A 115 11.002 0.801 10.529 1.00 1.25 H new ATOM 0 HD1 TYR A 115 13.186 1.455 11.333 1.00 3.36 H new ATOM 0 HD2 TYR A 115 10.837 4.206 9.004 1.00 2.32 H new ATOM 0 HE1 TYR A 115 14.109 3.344 12.645 1.00 4.30 H new ATOM 0 HE2 TYR A 115 11.765 6.098 10.319 1.00 3.06 H new ATOM 0 HH TYR A 115 14.458 5.898 12.213 1.00 4.85 H new ATOM 1721 N ASN A 116 12.985 -0.101 7.014 1.00 0.91 N ATOM 1722 CA ASN A 116 14.311 -0.494 6.536 1.00 0.99 C ATOM 1723 C ASN A 116 14.863 -1.742 7.231 1.00 0.77 C ATOM 1724 O ASN A 116 15.100 -2.758 6.587 1.00 0.80 O ATOM 1725 CB ASN A 116 15.283 0.681 6.646 1.00 1.33 C ATOM 1726 CG ASN A 116 16.573 0.422 5.878 1.00 2.03 C ATOM 1727 OD1 ASN A 116 17.396 -0.391 6.288 1.00 2.80 O ATOM 1728 ND2 ASN A 116 16.783 1.127 4.773 1.00 2.68 N ATOM 0 H ASN A 116 12.284 -0.172 6.277 1.00 0.91 H new ATOM 0 HA ASN A 116 14.200 -0.767 5.487 1.00 0.99 H new ATOM 0 HB2 ASN A 116 14.807 1.584 6.263 1.00 1.33 H new ATOM 0 HB3 ASN A 116 15.515 0.864 7.695 1.00 1.33 H new ATOM 0 HD21 ASN A 116 17.645 0.999 4.243 1.00 2.68 H new ATOM 0 HD22 ASN A 116 16.082 1.796 4.454 1.00 2.68 H new ATOM 1735 N GLN A 117 15.075 -1.661 8.544 1.00 0.76 N ATOM 1736 CA GLN A 117 15.479 -2.760 9.398 1.00 0.75 C ATOM 1737 C GLN A 117 14.308 -3.273 10.247 1.00 0.86 C ATOM 1738 O GLN A 117 14.336 -4.426 10.671 1.00 1.22 O ATOM 1739 CB GLN A 117 16.617 -2.295 10.319 1.00 0.92 C ATOM 1740 CG GLN A 117 17.783 -1.617 9.573 1.00 1.20 C ATOM 1741 CD GLN A 117 17.869 -0.106 9.816 1.00 1.48 C ATOM 1742 OE1 GLN A 117 17.744 0.348 10.950 1.00 2.47 O ATOM 1743 NE2 GLN A 117 18.120 0.679 8.771 1.00 1.84 N ATOM 0 H GLN A 117 14.963 -0.786 9.057 1.00 0.76 H new ATOM 0 HA GLN A 117 15.818 -3.579 8.763 1.00 0.75 H new ATOM 0 HB2 GLN A 117 16.215 -1.599 11.055 1.00 0.92 H new ATOM 0 HB3 GLN A 117 17.001 -3.154 10.869 1.00 0.92 H new ATOM 0 HG2 GLN A 117 18.720 -2.080 9.882 1.00 1.20 H new ATOM 0 HG3 GLN A 117 17.675 -1.799 8.504 1.00 1.20 H new ATOM 0 HE21 GLN A 117 18.219 0.273 7.840 1.00 1.84 H new ATOM 0 HE22 GLN A 117 18.214 1.686 8.901 1.00 1.84 H new ATOM 1752 N ALA A 118 13.321 -2.420 10.565 1.00 0.84 N ATOM 1753 CA ALA A 118 12.439 -2.640 11.711 1.00 0.95 C ATOM 1754 C ALA A 118 10.962 -2.579 11.330 1.00 0.81 C ATOM 1755 O ALA A 118 10.487 -1.559 10.841 1.00 1.04 O ATOM 1756 CB ALA A 118 12.737 -1.585 12.780 1.00 1.19 C ATOM 0 H ALA A 118 13.117 -1.570 10.039 1.00 0.84 H new ATOM 0 HA ALA A 118 12.633 -3.642 12.093 1.00 0.95 H new ATOM 0 HB1 ALA A 118 12.083 -1.742 13.638 1.00 1.19 H new ATOM 0 HB2 ALA A 118 13.777 -1.670 13.095 1.00 1.19 H new ATOM 0 HB3 ALA A 118 12.563 -0.591 12.368 1.00 1.19 H new ATOM 1762 N GLU A 119 10.208 -3.640 11.615 1.00 0.81 N ATOM 1763 CA GLU A 119 8.756 -3.591 11.571 1.00 0.86 C ATOM 1764 C GLU A 119 8.252 -2.953 12.870 1.00 0.96 C ATOM 1765 O GLU A 119 8.417 -3.560 13.923 1.00 1.69 O ATOM 1766 CB GLU A 119 8.201 -5.019 11.421 1.00 1.34 C ATOM 1767 CG GLU A 119 6.699 -5.030 11.095 1.00 1.71 C ATOM 1768 CD GLU A 119 6.050 -6.359 11.456 1.00 2.63 C ATOM 1769 OE1 GLU A 119 6.097 -7.264 10.604 1.00 2.86 O ATOM 1770 OE2 GLU A 119 5.521 -6.437 12.588 1.00 3.85 O ATOM 0 H GLU A 119 10.587 -4.549 11.880 1.00 0.81 H new ATOM 0 HA GLU A 119 8.419 -2.998 10.721 1.00 0.86 H new ATOM 0 HB2 GLU A 119 8.746 -5.537 10.632 1.00 1.34 H new ATOM 0 HB3 GLU A 119 8.374 -5.573 12.344 1.00 1.34 H new ATOM 0 HG2 GLU A 119 6.204 -4.225 11.638 1.00 1.71 H new ATOM 0 HG3 GLU A 119 6.557 -4.833 10.032 1.00 1.71 H new ATOM 1777 N LYS A 120 7.606 -1.782 12.797 1.00 0.59 N ATOM 1778 CA LYS A 120 6.379 -1.463 13.512 1.00 0.62 C ATOM 1779 C LYS A 120 5.530 -0.479 12.710 1.00 0.64 C ATOM 1780 O LYS A 120 5.384 0.698 13.037 1.00 0.92 O ATOM 1781 CB LYS A 120 6.595 -1.047 14.973 1.00 0.97 C ATOM 1782 CG LYS A 120 6.649 -2.236 15.946 1.00 1.51 C ATOM 1783 CD LYS A 120 5.529 -3.270 15.760 1.00 1.83 C ATOM 1784 CE LYS A 120 5.910 -4.534 14.961 1.00 2.83 C ATOM 1785 NZ LYS A 120 4.844 -5.551 14.903 1.00 3.50 N ATOM 0 H LYS A 120 7.939 -1.011 12.218 1.00 0.59 H new ATOM 0 HA LYS A 120 5.810 -2.389 13.597 1.00 0.62 H new ATOM 0 HB2 LYS A 120 7.525 -0.483 15.049 1.00 0.97 H new ATOM 0 HB3 LYS A 120 5.790 -0.377 15.275 1.00 0.97 H new ATOM 0 HG2 LYS A 120 7.610 -2.737 15.832 1.00 1.51 H new ATOM 0 HG3 LYS A 120 6.607 -1.855 16.966 1.00 1.51 H new ATOM 0 HD2 LYS A 120 5.177 -3.578 16.745 1.00 1.83 H new ATOM 0 HD3 LYS A 120 4.691 -2.785 15.259 1.00 1.83 H new ATOM 0 HE2 LYS A 120 6.176 -4.243 13.945 1.00 2.83 H new ATOM 0 HE3 LYS A 120 6.799 -4.979 15.408 1.00 2.83 H new ATOM 0 HZ1 LYS A 120 4.942 -6.107 14.030 1.00 3.50 H new ATOM 0 HZ2 LYS A 120 4.921 -6.182 15.726 1.00 3.50 H new ATOM 0 HZ3 LYS A 120 3.916 -5.082 14.912 1.00 3.50 H new ATOM 1799 N GLY A 121 4.888 -1.018 11.676 1.00 0.51 N ATOM 1800 CA GLY A 121 3.738 -0.380 11.080 1.00 0.53 C ATOM 1801 C GLY A 121 2.883 -1.415 10.373 1.00 0.42 C ATOM 1802 O GLY A 121 3.363 -2.506 10.057 1.00 0.51 O ATOM 0 H GLY A 121 5.154 -1.900 11.238 1.00 0.51 H new ATOM 0 HA2 GLY A 121 3.152 0.125 11.848 1.00 0.53 H new ATOM 0 HA3 GLY A 121 4.061 0.383 10.372 1.00 0.53 H new ATOM 1806 N SER A 122 1.621 -1.068 10.123 1.00 0.53 N ATOM 1807 CA SER A 122 0.698 -1.881 9.352 1.00 0.51 C ATOM 1808 C SER A 122 -0.160 -0.950 8.517 1.00 0.51 C ATOM 1809 O SER A 122 -0.132 0.257 8.757 1.00 0.63 O ATOM 1810 CB SER A 122 -0.119 -2.750 10.305 1.00 0.78 C ATOM 1811 OG SER A 122 -0.817 -1.952 11.242 1.00 1.00 O ATOM 0 H SER A 122 1.210 -0.197 10.459 1.00 0.53 H new ATOM 0 HA SER A 122 1.219 -2.558 8.675 1.00 0.51 H new ATOM 0 HB2 SER A 122 -0.827 -3.354 9.737 1.00 0.78 H new ATOM 0 HB3 SER A 122 0.541 -3.441 10.830 1.00 0.78 H new ATOM 0 HG SER A 122 -1.335 -2.529 11.841 1.00 1.00 H new ATOM 1817 N TYR A 123 -0.879 -1.463 7.518 1.00 0.60 N ATOM 1818 CA TYR A 123 -1.630 -0.584 6.640 1.00 0.71 C ATOM 1819 C TYR A 123 -2.861 -1.245 6.061 1.00 0.68 C ATOM 1820 O TYR A 123 -2.962 -2.468 6.038 1.00 0.73 O ATOM 1821 CB TYR A 123 -0.720 -0.035 5.540 1.00 0.95 C ATOM 1822 CG TYR A 123 -0.359 -1.009 4.444 1.00 0.87 C ATOM 1823 CD1 TYR A 123 0.547 -2.051 4.699 1.00 2.74 C ATOM 1824 CD2 TYR A 123 -0.779 -0.754 3.127 1.00 1.46 C ATOM 1825 CE1 TYR A 123 1.030 -2.838 3.644 1.00 3.57 C ATOM 1826 CE2 TYR A 123 -0.244 -1.497 2.064 1.00 1.65 C ATOM 1827 CZ TYR A 123 0.671 -2.532 2.324 1.00 2.55 C ATOM 1828 OH TYR A 123 1.323 -3.142 1.300 1.00 3.41 O ATOM 0 H TYR A 123 -0.953 -2.458 7.305 1.00 0.60 H new ATOM 0 HA TYR A 123 -1.993 0.247 7.245 1.00 0.71 H new ATOM 0 HB2 TYR A 123 -1.207 0.829 5.088 1.00 0.95 H new ATOM 0 HB3 TYR A 123 0.201 0.323 6.000 1.00 0.95 H new ATOM 0 HD1 TYR A 123 0.873 -2.247 5.710 1.00 2.74 H new ATOM 0 HD2 TYR A 123 -1.513 0.014 2.933 1.00 1.46 H new ATOM 0 HE1 TYR A 123 1.677 -3.678 3.848 1.00 3.57 H new ATOM 0 HE2 TYR A 123 -0.535 -1.274 1.048 1.00 1.65 H new ATOM 0 HH TYR A 123 1.754 -3.959 1.627 1.00 3.41 H new ATOM 1838 N SER A 124 -3.786 -0.406 5.601 1.00 0.69 N ATOM 1839 CA SER A 124 -5.104 -0.770 5.138 1.00 0.85 C ATOM 1840 C SER A 124 -5.281 -0.037 3.817 1.00 0.76 C ATOM 1841 O SER A 124 -5.492 1.178 3.831 1.00 0.94 O ATOM 1842 CB SER A 124 -6.132 -0.336 6.190 1.00 1.01 C ATOM 1843 OG SER A 124 -5.963 1.034 6.509 1.00 2.12 O ATOM 0 H SER A 124 -3.618 0.598 5.542 1.00 0.69 H new ATOM 0 HA SER A 124 -5.237 -1.842 4.992 1.00 0.85 H new ATOM 0 HB2 SER A 124 -7.141 -0.507 5.814 1.00 1.01 H new ATOM 0 HB3 SER A 124 -6.020 -0.942 7.089 1.00 1.01 H new ATOM 0 HG SER A 124 -6.259 1.585 5.754 1.00 2.12 H new ATOM 1849 N LEU A 125 -5.116 -0.753 2.703 1.00 0.65 N ATOM 1850 CA LEU A 125 -5.132 -0.191 1.360 1.00 0.63 C ATOM 1851 C LEU A 125 -6.224 -0.869 0.550 1.00 0.68 C ATOM 1852 O LEU A 125 -6.352 -2.089 0.592 1.00 0.77 O ATOM 1853 CB LEU A 125 -3.739 -0.346 0.746 1.00 0.62 C ATOM 1854 CG LEU A 125 -3.544 0.192 -0.680 1.00 0.66 C ATOM 1855 CD1 LEU A 125 -3.922 -0.811 -1.772 1.00 0.74 C ATOM 1856 CD2 LEU A 125 -4.139 1.573 -0.941 1.00 0.74 C ATOM 0 H LEU A 125 -4.965 -1.762 2.715 1.00 0.65 H new ATOM 0 HA LEU A 125 -5.363 0.874 1.374 1.00 0.63 H new ATOM 0 HB2 LEU A 125 -3.023 0.154 1.398 1.00 0.62 H new ATOM 0 HB3 LEU A 125 -3.484 -1.406 0.747 1.00 0.62 H new ATOM 0 HG LEU A 125 -2.465 0.334 -0.741 1.00 0.66 H new ATOM 0 HD11 LEU A 125 -3.758 -0.361 -2.751 1.00 0.74 H new ATOM 0 HD12 LEU A 125 -3.305 -1.704 -1.675 1.00 0.74 H new ATOM 0 HD13 LEU A 125 -4.972 -1.083 -1.669 1.00 0.74 H new ATOM 0 HD21 LEU A 125 -3.948 1.862 -1.974 1.00 0.74 H new ATOM 0 HD22 LEU A 125 -5.214 1.545 -0.765 1.00 0.74 H new ATOM 0 HD23 LEU A 125 -3.680 2.300 -0.270 1.00 0.74 H new ATOM 1868 N GLY A 126 -7.017 -0.063 -0.151 1.00 0.69 N ATOM 1869 CA GLY A 126 -8.230 -0.471 -0.843 1.00 0.74 C ATOM 1870 C GLY A 126 -8.109 -0.171 -2.334 1.00 0.71 C ATOM 1871 O GLY A 126 -7.638 0.907 -2.696 1.00 1.15 O ATOM 0 H GLY A 126 -6.821 0.933 -0.255 1.00 0.69 H new ATOM 0 HA2 GLY A 126 -8.404 -1.536 -0.691 1.00 0.74 H new ATOM 0 HA3 GLY A 126 -9.090 0.054 -0.427 1.00 0.74 H new ATOM 1875 N ILE A 127 -8.514 -1.118 -3.191 1.00 0.68 N ATOM 1876 CA ILE A 127 -8.463 -1.033 -4.642 1.00 0.79 C ATOM 1877 C ILE A 127 -9.793 -0.467 -5.147 1.00 0.81 C ATOM 1878 O ILE A 127 -10.863 -0.879 -4.698 1.00 0.88 O ATOM 1879 CB ILE A 127 -8.134 -2.436 -5.211 1.00 1.11 C ATOM 1880 CG1 ILE A 127 -7.290 -2.432 -6.493 1.00 1.62 C ATOM 1881 CG2 ILE A 127 -9.354 -3.340 -5.420 1.00 1.33 C ATOM 1882 CD1 ILE A 127 -8.099 -2.350 -7.788 1.00 2.07 C ATOM 0 H ILE A 127 -8.903 -2.003 -2.867 1.00 0.68 H new ATOM 0 HA ILE A 127 -7.678 -0.358 -4.983 1.00 0.79 H new ATOM 0 HB ILE A 127 -7.527 -2.858 -4.410 1.00 1.11 H new ATOM 0 HG12 ILE A 127 -6.601 -1.588 -6.456 1.00 1.62 H new ATOM 0 HG13 ILE A 127 -6.683 -3.337 -6.516 1.00 1.62 H new ATOM 0 HG21 ILE A 127 -9.031 -4.301 -5.820 1.00 1.33 H new ATOM 0 HG22 ILE A 127 -9.859 -3.496 -4.467 1.00 1.33 H new ATOM 0 HG23 ILE A 127 -10.041 -2.867 -6.122 1.00 1.33 H new ATOM 0 HD11 ILE A 127 -7.421 -2.353 -8.641 1.00 2.07 H new ATOM 0 HD12 ILE A 127 -8.768 -3.208 -7.854 1.00 2.07 H new ATOM 0 HD13 ILE A 127 -8.685 -1.431 -7.793 1.00 2.07 H new ATOM 1894 N PHE A 128 -9.742 0.480 -6.086 1.00 0.91 N ATOM 1895 CA PHE A 128 -10.941 1.005 -6.722 1.00 1.05 C ATOM 1896 C PHE A 128 -11.551 -0.084 -7.610 1.00 1.67 C ATOM 1897 O PHE A 128 -11.142 -0.262 -8.764 1.00 2.22 O ATOM 1898 CB PHE A 128 -10.575 2.268 -7.498 1.00 2.45 C ATOM 1899 CG PHE A 128 -11.712 3.149 -7.989 1.00 3.26 C ATOM 1900 CD1 PHE A 128 -11.774 4.489 -7.555 1.00 3.91 C ATOM 1901 CD2 PHE A 128 -12.588 2.710 -9.002 1.00 4.44 C ATOM 1902 CE1 PHE A 128 -12.683 5.384 -8.142 1.00 5.14 C ATOM 1903 CE2 PHE A 128 -13.538 3.593 -9.547 1.00 5.53 C ATOM 1904 CZ PHE A 128 -13.576 4.934 -9.129 1.00 5.73 C ATOM 0 H PHE A 128 -8.874 0.898 -6.421 1.00 0.91 H new ATOM 0 HA PHE A 128 -11.695 1.282 -5.985 1.00 1.05 H new ATOM 0 HB2 PHE A 128 -9.929 2.876 -6.864 1.00 2.45 H new ATOM 0 HB3 PHE A 128 -9.983 1.970 -8.364 1.00 2.45 H new ATOM 0 HD1 PHE A 128 -11.119 4.829 -6.767 1.00 3.91 H new ATOM 0 HD2 PHE A 128 -12.530 1.693 -9.361 1.00 4.44 H new ATOM 0 HE1 PHE A 128 -12.696 6.419 -7.835 1.00 5.14 H new ATOM 0 HE2 PHE A 128 -14.239 3.239 -10.288 1.00 5.53 H new ATOM 0 HZ PHE A 128 -14.290 5.617 -9.565 1.00 5.73 H new ATOM 1914 N GLY A 129 -12.529 -0.807 -7.059 1.00 2.43 N ATOM 1915 CA GLY A 129 -13.286 -1.849 -7.736 1.00 3.71 C ATOM 1916 C GLY A 129 -14.178 -1.277 -8.841 1.00 2.57 C ATOM 1917 O GLY A 129 -15.404 -1.240 -8.719 1.00 3.37 O ATOM 0 H GLY A 129 -12.822 -0.673 -6.091 1.00 2.43 H new ATOM 0 HA2 GLY A 129 -12.598 -2.578 -8.165 1.00 3.71 H new ATOM 0 HA3 GLY A 129 -13.902 -2.381 -7.011 1.00 3.71 H new ATOM 1921 N GLY A 130 -13.541 -0.821 -9.917 1.00 1.32 N ATOM 1922 CA GLY A 130 -14.164 -0.410 -11.163 1.00 1.55 C ATOM 1923 C GLY A 130 -13.248 -0.865 -12.291 1.00 1.61 C ATOM 1924 O GLY A 130 -13.588 -1.776 -13.039 1.00 2.39 O ATOM 0 H GLY A 130 -12.526 -0.725 -9.940 1.00 1.32 H new ATOM 0 HA2 GLY A 130 -15.153 -0.857 -11.265 1.00 1.55 H new ATOM 0 HA3 GLY A 130 -14.299 0.671 -11.188 1.00 1.55 H new ATOM 1928 N LYS A 131 -12.054 -0.265 -12.358 1.00 1.29 N ATOM 1929 CA LYS A 131 -10.942 -0.770 -13.157 1.00 1.28 C ATOM 1930 C LYS A 131 -9.618 -0.200 -12.622 1.00 1.16 C ATOM 1931 O LYS A 131 -8.814 0.373 -13.359 1.00 1.52 O ATOM 1932 CB LYS A 131 -11.189 -0.567 -14.668 1.00 1.52 C ATOM 1933 CG LYS A 131 -11.239 0.902 -15.096 1.00 1.62 C ATOM 1934 CD LYS A 131 -11.975 1.120 -16.422 1.00 2.03 C ATOM 1935 CE LYS A 131 -11.905 2.614 -16.775 1.00 2.50 C ATOM 1936 NZ LYS A 131 -12.566 2.924 -18.059 1.00 3.55 N ATOM 0 H LYS A 131 -11.835 0.593 -11.852 1.00 1.29 H new ATOM 0 HA LYS A 131 -10.864 -1.852 -13.051 1.00 1.28 H new ATOM 0 HB2 LYS A 131 -10.400 -1.071 -15.226 1.00 1.52 H new ATOM 0 HB3 LYS A 131 -12.129 -1.047 -14.940 1.00 1.52 H new ATOM 0 HG2 LYS A 131 -11.729 1.484 -14.316 1.00 1.62 H new ATOM 0 HG3 LYS A 131 -10.221 1.282 -15.186 1.00 1.62 H new ATOM 0 HD2 LYS A 131 -11.520 0.522 -17.211 1.00 2.03 H new ATOM 0 HD3 LYS A 131 -13.013 0.798 -16.337 1.00 2.03 H new ATOM 0 HE2 LYS A 131 -12.373 3.194 -15.980 1.00 2.50 H new ATOM 0 HE3 LYS A 131 -10.861 2.924 -16.823 1.00 2.50 H new ATOM 0 HZ1 LYS A 131 -12.491 3.943 -18.251 1.00 3.55 H new ATOM 0 HZ2 LYS A 131 -12.104 2.393 -18.824 1.00 3.55 H new ATOM 0 HZ3 LYS A 131 -13.569 2.655 -18.007 1.00 3.55 H new ATOM 1950 N ALA A 132 -9.405 -0.353 -11.309 1.00 0.91 N ATOM 1951 CA ALA A 132 -8.128 -0.141 -10.638 1.00 0.85 C ATOM 1952 C ALA A 132 -7.655 1.308 -10.814 1.00 0.92 C ATOM 1953 O ALA A 132 -6.517 1.564 -11.194 1.00 1.40 O ATOM 1954 CB ALA A 132 -7.105 -1.146 -11.191 1.00 1.07 C ATOM 0 H ALA A 132 -10.146 -0.638 -10.668 1.00 0.91 H new ATOM 0 HA ALA A 132 -8.240 -0.307 -9.567 1.00 0.85 H new ATOM 0 HB1 ALA A 132 -6.145 -0.997 -10.697 1.00 1.07 H new ATOM 0 HB2 ALA A 132 -7.455 -2.161 -11.005 1.00 1.07 H new ATOM 0 HB3 ALA A 132 -6.988 -0.993 -12.264 1.00 1.07 H new ATOM 1960 N GLN A 133 -8.563 2.258 -10.582 1.00 0.70 N ATOM 1961 CA GLN A 133 -8.397 3.660 -10.927 1.00 0.76 C ATOM 1962 C GLN A 133 -7.463 4.331 -9.933 1.00 0.84 C ATOM 1963 O GLN A 133 -6.480 4.950 -10.327 1.00 1.06 O ATOM 1964 CB GLN A 133 -9.761 4.374 -10.945 1.00 0.91 C ATOM 1965 CG GLN A 133 -10.806 3.762 -11.888 1.00 1.11 C ATOM 1966 CD GLN A 133 -10.394 3.894 -13.347 1.00 1.81 C ATOM 1967 OE1 GLN A 133 -10.908 4.730 -14.082 1.00 2.05 O ATOM 1968 NE2 GLN A 133 -9.476 3.049 -13.791 1.00 3.10 N ATOM 0 H GLN A 133 -9.459 2.061 -10.135 1.00 0.70 H new ATOM 0 HA GLN A 133 -7.960 3.727 -11.923 1.00 0.76 H new ATOM 0 HB2 GLN A 133 -10.165 4.376 -9.933 1.00 0.91 H new ATOM 0 HB3 GLN A 133 -9.605 5.415 -11.228 1.00 0.91 H new ATOM 0 HG2 GLN A 133 -10.945 2.709 -11.643 1.00 1.11 H new ATOM 0 HG3 GLN A 133 -11.767 4.254 -11.735 1.00 1.11 H new ATOM 0 HE21 GLN A 133 -9.065 2.363 -13.157 1.00 3.10 H new ATOM 0 HE22 GLN A 133 -9.180 3.084 -14.767 1.00 3.10 H new ATOM 1977 N GLU A 134 -7.806 4.209 -8.649 1.00 0.83 N ATOM 1978 CA GLU A 134 -7.172 4.926 -7.561 1.00 0.96 C ATOM 1979 C GLU A 134 -7.178 4.035 -6.323 1.00 0.83 C ATOM 1980 O GLU A 134 -8.219 3.906 -5.682 1.00 1.44 O ATOM 1981 CB GLU A 134 -7.969 6.211 -7.272 1.00 1.26 C ATOM 1982 CG GLU A 134 -8.216 7.085 -8.507 1.00 1.43 C ATOM 1983 CD GLU A 134 -8.856 8.404 -8.112 1.00 1.85 C ATOM 1984 OE1 GLU A 134 -8.117 9.413 -8.109 1.00 2.99 O ATOM 1985 OE2 GLU A 134 -10.070 8.387 -7.822 1.00 2.20 O ATOM 0 H GLU A 134 -8.554 3.589 -8.338 1.00 0.83 H new ATOM 0 HA GLU A 134 -6.148 5.187 -7.826 1.00 0.96 H new ATOM 0 HB2 GLU A 134 -8.930 5.939 -6.834 1.00 1.26 H new ATOM 0 HB3 GLU A 134 -7.433 6.798 -6.526 1.00 1.26 H new ATOM 0 HG2 GLU A 134 -7.273 7.272 -9.021 1.00 1.43 H new ATOM 0 HG3 GLU A 134 -8.862 6.557 -9.209 1.00 1.43 H new ATOM 1992 N VAL A 135 -6.044 3.439 -5.940 1.00 0.86 N ATOM 1993 CA VAL A 135 -6.008 2.777 -4.646 1.00 0.69 C ATOM 1994 C VAL A 135 -5.928 3.862 -3.568 1.00 0.87 C ATOM 1995 O VAL A 135 -5.278 4.893 -3.765 1.00 1.30 O ATOM 1996 CB VAL A 135 -4.874 1.743 -4.504 1.00 0.69 C ATOM 1997 CG1 VAL A 135 -5.019 0.566 -5.469 1.00 1.03 C ATOM 1998 CG2 VAL A 135 -3.452 2.300 -4.617 1.00 0.96 C ATOM 0 H VAL A 135 -5.181 3.404 -6.482 1.00 0.86 H new ATOM 0 HA VAL A 135 -6.919 2.189 -4.534 1.00 0.69 H new ATOM 0 HB VAL A 135 -5.000 1.402 -3.477 1.00 0.69 H new ATOM 0 HG11 VAL A 135 -4.192 -0.129 -5.322 1.00 1.03 H new ATOM 0 HG12 VAL A 135 -5.962 0.053 -5.278 1.00 1.03 H new ATOM 0 HG13 VAL A 135 -5.007 0.933 -6.495 1.00 1.03 H new ATOM 0 HG21 VAL A 135 -2.733 1.489 -4.502 1.00 0.96 H new ATOM 0 HG22 VAL A 135 -3.320 2.766 -5.593 1.00 0.96 H new ATOM 0 HG23 VAL A 135 -3.289 3.042 -3.836 1.00 0.96 H new ATOM 2008 N ALA A 136 -6.636 3.641 -2.459 1.00 0.82 N ATOM 2009 CA ALA A 136 -6.766 4.588 -1.360 1.00 0.95 C ATOM 2010 C ALA A 136 -6.587 3.821 -0.056 1.00 0.78 C ATOM 2011 O ALA A 136 -7.139 2.731 0.089 1.00 0.79 O ATOM 2012 CB ALA A 136 -8.140 5.260 -1.422 1.00 1.24 C ATOM 0 H ALA A 136 -7.147 2.773 -2.300 1.00 0.82 H new ATOM 0 HA ALA A 136 -6.010 5.370 -1.427 1.00 0.95 H new ATOM 0 HB1 ALA A 136 -8.236 5.968 -0.599 1.00 1.24 H new ATOM 0 HB2 ALA A 136 -8.244 5.788 -2.370 1.00 1.24 H new ATOM 0 HB3 ALA A 136 -8.920 4.502 -1.341 1.00 1.24 H new ATOM 2018 N GLY A 137 -5.750 4.324 0.854 1.00 0.75 N ATOM 2019 CA GLY A 137 -5.437 3.622 2.083 1.00 0.70 C ATOM 2020 C GLY A 137 -4.901 4.528 3.179 1.00 0.70 C ATOM 2021 O GLY A 137 -4.654 5.718 2.976 1.00 0.87 O ATOM 0 H GLY A 137 -5.278 5.223 0.754 1.00 0.75 H new ATOM 0 HA2 GLY A 137 -6.335 3.120 2.444 1.00 0.70 H new ATOM 0 HA3 GLY A 137 -4.701 2.846 1.872 1.00 0.70 H new ATOM 2025 N SER A 138 -4.652 3.908 4.328 1.00 0.66 N ATOM 2026 CA SER A 138 -3.901 4.484 5.426 1.00 0.64 C ATOM 2027 C SER A 138 -2.880 3.450 5.888 1.00 0.54 C ATOM 2028 O SER A 138 -3.271 2.317 6.164 1.00 0.73 O ATOM 2029 CB SER A 138 -4.870 4.833 6.561 1.00 0.77 C ATOM 2030 OG SER A 138 -5.818 3.797 6.757 1.00 2.19 O ATOM 0 H SER A 138 -4.980 2.962 4.522 1.00 0.66 H new ATOM 0 HA SER A 138 -3.385 5.394 5.119 1.00 0.64 H new ATOM 0 HB2 SER A 138 -4.312 4.999 7.482 1.00 0.77 H new ATOM 0 HB3 SER A 138 -5.387 5.764 6.329 1.00 0.77 H new ATOM 0 HG SER A 138 -5.371 2.928 6.691 1.00 2.19 H new ATOM 2036 N ALA A 139 -1.600 3.822 5.988 1.00 0.54 N ATOM 2037 CA ALA A 139 -0.642 3.083 6.799 1.00 0.52 C ATOM 2038 C ALA A 139 -0.464 3.778 8.146 1.00 0.51 C ATOM 2039 O ALA A 139 -0.400 5.003 8.195 1.00 0.69 O ATOM 2040 CB ALA A 139 0.687 2.903 6.064 1.00 0.68 C ATOM 0 H ALA A 139 -1.207 4.635 5.513 1.00 0.54 H new ATOM 0 HA ALA A 139 -1.031 2.081 6.982 1.00 0.52 H new ATOM 0 HB1 ALA A 139 1.380 2.348 6.696 1.00 0.68 H new ATOM 0 HB2 ALA A 139 0.519 2.352 5.138 1.00 0.68 H new ATOM 0 HB3 ALA A 139 1.110 3.881 5.833 1.00 0.68 H new ATOM 2046 N GLU A 140 -0.379 2.985 9.218 1.00 0.58 N ATOM 2047 CA GLU A 140 0.071 3.410 10.530 1.00 0.71 C ATOM 2048 C GLU A 140 1.463 2.873 10.747 1.00 0.74 C ATOM 2049 O GLU A 140 1.655 1.664 10.856 1.00 1.00 O ATOM 2050 CB GLU A 140 -0.847 2.980 11.665 1.00 0.88 C ATOM 2051 CG GLU A 140 -2.167 3.701 11.445 1.00 2.53 C ATOM 2052 CD GLU A 140 -3.044 3.754 12.686 1.00 2.94 C ATOM 2053 OE1 GLU A 140 -4.168 4.282 12.583 1.00 4.11 O ATOM 2054 OE2 GLU A 140 -2.542 3.426 13.789 1.00 2.76 O ATOM 0 H GLU A 140 -0.632 1.997 9.186 1.00 0.58 H new ATOM 0 HA GLU A 140 0.059 4.500 10.547 1.00 0.71 H new ATOM 0 HB2 GLU A 140 -0.989 1.899 11.661 1.00 0.88 H new ATOM 0 HB3 GLU A 140 -0.418 3.242 12.632 1.00 0.88 H new ATOM 0 HG2 GLU A 140 -1.965 4.718 11.109 1.00 2.53 H new ATOM 0 HG3 GLU A 140 -2.714 3.204 10.644 1.00 2.53 H new ATOM 2061 N VAL A 141 2.413 3.795 10.787 1.00 0.76 N ATOM 2062 CA VAL A 141 3.835 3.496 10.875 1.00 0.74 C ATOM 2063 C VAL A 141 4.438 4.252 12.052 1.00 0.72 C ATOM 2064 O VAL A 141 4.521 5.475 11.999 1.00 1.01 O ATOM 2065 CB VAL A 141 4.506 3.857 9.543 1.00 0.87 C ATOM 2066 CG1 VAL A 141 5.974 3.408 9.542 1.00 1.55 C ATOM 2067 CG2 VAL A 141 3.743 3.234 8.365 1.00 1.99 C ATOM 0 H VAL A 141 2.212 4.795 10.759 1.00 0.76 H new ATOM 0 HA VAL A 141 3.998 2.433 11.052 1.00 0.74 H new ATOM 0 HB VAL A 141 4.480 4.940 9.427 1.00 0.87 H new ATOM 0 HG11 VAL A 141 6.435 3.672 8.590 1.00 1.55 H new ATOM 0 HG12 VAL A 141 6.507 3.905 10.353 1.00 1.55 H new ATOM 0 HG13 VAL A 141 6.024 2.328 9.682 1.00 1.55 H new ATOM 0 HG21 VAL A 141 4.235 3.502 7.430 1.00 1.99 H new ATOM 0 HG22 VAL A 141 3.732 2.149 8.471 1.00 1.99 H new ATOM 0 HG23 VAL A 141 2.719 3.608 8.356 1.00 1.99 H new ATOM 2077 N LYS A 142 4.852 3.553 13.114 1.00 0.74 N ATOM 2078 CA LYS A 142 5.412 4.189 14.300 1.00 0.79 C ATOM 2079 C LYS A 142 6.839 3.696 14.513 1.00 0.94 C ATOM 2080 O LYS A 142 7.093 2.495 14.518 1.00 1.23 O ATOM 2081 CB LYS A 142 4.522 3.933 15.526 1.00 0.92 C ATOM 2082 CG LYS A 142 4.724 2.525 16.101 1.00 1.08 C ATOM 2083 CD LYS A 142 3.605 2.047 17.041 1.00 1.49 C ATOM 2084 CE LYS A 142 3.468 2.869 18.333 1.00 2.88 C ATOM 2085 NZ LYS A 142 2.752 4.145 18.129 1.00 3.59 N ATOM 0 H LYS A 142 4.807 2.536 13.171 1.00 0.74 H new ATOM 0 HA LYS A 142 5.444 5.269 14.155 1.00 0.79 H new ATOM 0 HB2 LYS A 142 4.743 4.673 16.295 1.00 0.92 H new ATOM 0 HB3 LYS A 142 3.476 4.064 15.248 1.00 0.92 H new ATOM 0 HG2 LYS A 142 4.812 1.819 15.275 1.00 1.08 H new ATOM 0 HG3 LYS A 142 5.670 2.501 16.643 1.00 1.08 H new ATOM 0 HD2 LYS A 142 2.657 2.077 16.503 1.00 1.49 H new ATOM 0 HD3 LYS A 142 3.789 1.006 17.305 1.00 1.49 H new ATOM 0 HE2 LYS A 142 2.939 2.277 19.080 1.00 2.88 H new ATOM 0 HE3 LYS A 142 4.461 3.075 18.734 1.00 2.88 H new ATOM 0 HZ1 LYS A 142 2.156 4.345 18.958 1.00 3.59 H new ATOM 0 HZ2 LYS A 142 3.441 4.914 18.005 1.00 3.59 H new ATOM 0 HZ3 LYS A 142 2.154 4.076 17.281 1.00 3.59 H new ATOM 2099 N THR A 143 7.775 4.614 14.719 1.00 1.09 N ATOM 2100 CA THR A 143 9.138 4.271 15.106 1.00 1.27 C ATOM 2101 C THR A 143 9.827 5.585 15.466 1.00 1.14 C ATOM 2102 O THR A 143 9.164 6.625 15.492 1.00 1.05 O ATOM 2103 CB THR A 143 9.857 3.413 14.034 1.00 1.62 C ATOM 2104 OG1 THR A 143 11.249 3.310 14.272 1.00 2.78 O ATOM 2105 CG2 THR A 143 9.626 3.861 12.596 1.00 1.88 C ATOM 0 H THR A 143 7.611 5.616 14.623 1.00 1.09 H new ATOM 0 HA THR A 143 9.162 3.616 15.977 1.00 1.27 H new ATOM 0 HB THR A 143 9.392 2.433 14.140 1.00 1.62 H new ATOM 0 HG1 THR A 143 11.734 3.416 13.427 1.00 2.78 H new ATOM 0 HG21 THR A 143 10.168 3.202 11.918 1.00 1.88 H new ATOM 0 HG22 THR A 143 8.561 3.819 12.369 1.00 1.88 H new ATOM 0 HG23 THR A 143 9.984 4.883 12.471 1.00 1.88 H new ATOM 2113 N VAL A 144 11.139 5.547 15.707 1.00 1.25 N ATOM 2114 CA VAL A 144 11.966 6.703 16.035 1.00 1.29 C ATOM 2115 C VAL A 144 11.693 7.845 15.052 1.00 1.21 C ATOM 2116 O VAL A 144 11.681 9.009 15.445 1.00 1.24 O ATOM 2117 CB VAL A 144 13.453 6.300 16.060 1.00 1.47 C ATOM 2118 CG1 VAL A 144 14.340 7.482 16.477 1.00 1.87 C ATOM 2119 CG2 VAL A 144 13.701 5.147 17.044 1.00 1.80 C ATOM 0 H VAL A 144 11.671 4.677 15.677 1.00 1.25 H new ATOM 0 HA VAL A 144 11.709 7.064 17.031 1.00 1.29 H new ATOM 0 HB VAL A 144 13.708 5.983 15.049 1.00 1.47 H new ATOM 0 HG11 VAL A 144 15.384 7.168 16.486 1.00 1.87 H new ATOM 0 HG12 VAL A 144 14.213 8.300 15.768 1.00 1.87 H new ATOM 0 HG13 VAL A 144 14.054 7.818 17.474 1.00 1.87 H new ATOM 0 HG21 VAL A 144 14.759 4.886 17.039 1.00 1.80 H new ATOM 0 HG22 VAL A 144 13.408 5.456 18.048 1.00 1.80 H new ATOM 0 HG23 VAL A 144 13.112 4.280 16.745 1.00 1.80 H new ATOM 2129 N ASN A 145 11.425 7.510 13.783 1.00 1.17 N ATOM 2130 CA ASN A 145 10.868 8.463 12.829 1.00 1.15 C ATOM 2131 C ASN A 145 9.796 7.739 12.021 1.00 1.12 C ATOM 2132 O ASN A 145 9.818 7.742 10.794 1.00 1.30 O ATOM 2133 CB ASN A 145 11.954 9.016 11.891 1.00 1.46 C ATOM 2134 CG ASN A 145 13.199 9.517 12.609 1.00 1.54 C ATOM 2135 OD1 ASN A 145 13.366 10.707 12.847 1.00 2.50 O ATOM 2136 ND2 ASN A 145 14.105 8.596 12.923 1.00 1.53 N ATOM 0 H ASN A 145 11.588 6.580 13.397 1.00 1.17 H new ATOM 0 HA ASN A 145 10.443 9.311 13.365 1.00 1.15 H new ATOM 0 HB2 ASN A 145 12.243 8.235 11.187 1.00 1.46 H new ATOM 0 HB3 ASN A 145 11.532 9.833 11.306 1.00 1.46 H new ATOM 0 HD21 ASN A 145 14.975 8.871 13.378 1.00 1.53 H new ATOM 0 HD22 ASN A 145 13.930 7.614 12.709 1.00 1.53 H new ATOM 2143 N GLY A 146 8.822 7.150 12.714 1.00 1.08 N ATOM 2144 CA GLY A 146 7.657 6.571 12.072 1.00 1.13 C ATOM 2145 C GLY A 146 6.535 7.567 12.233 1.00 0.79 C ATOM 2146 O GLY A 146 6.016 7.745 13.336 1.00 0.83 O ATOM 0 H GLY A 146 8.824 7.064 13.730 1.00 1.08 H new ATOM 0 HA2 GLY A 146 7.853 6.376 11.018 1.00 1.13 H new ATOM 0 HA3 GLY A 146 7.397 5.617 12.530 1.00 1.13 H new ATOM 2150 N ILE A 147 6.195 8.231 11.135 1.00 0.69 N ATOM 2151 CA ILE A 147 5.088 9.152 11.103 1.00 0.70 C ATOM 2152 C ILE A 147 3.811 8.322 10.983 1.00 0.71 C ATOM 2153 O ILE A 147 3.622 7.645 9.982 1.00 1.15 O ATOM 2154 CB ILE A 147 5.243 10.136 9.919 1.00 0.89 C ATOM 2155 CG1 ILE A 147 5.732 9.456 8.627 1.00 1.18 C ATOM 2156 CG2 ILE A 147 6.095 11.346 10.314 1.00 1.61 C ATOM 2157 CD1 ILE A 147 7.239 9.527 8.362 1.00 1.16 C ATOM 0 H ILE A 147 6.686 8.139 10.246 1.00 0.69 H new ATOM 0 HA ILE A 147 5.052 9.756 12.010 1.00 0.70 H new ATOM 0 HB ILE A 147 4.246 10.507 9.682 1.00 0.89 H new ATOM 0 HG12 ILE A 147 5.437 8.407 8.658 1.00 1.18 H new ATOM 0 HG13 ILE A 147 5.213 9.909 7.782 1.00 1.18 H new ATOM 0 HG21 ILE A 147 6.187 12.020 9.462 1.00 1.61 H new ATOM 0 HG22 ILE A 147 5.620 11.871 11.143 1.00 1.61 H new ATOM 0 HG23 ILE A 147 7.086 11.009 10.619 1.00 1.61 H new ATOM 0 HD11 ILE A 147 7.468 9.016 7.427 1.00 1.16 H new ATOM 0 HD12 ILE A 147 7.547 10.570 8.291 1.00 1.16 H new ATOM 0 HD13 ILE A 147 7.775 9.045 9.180 1.00 1.16 H new ATOM 2169 N ARG A 148 2.958 8.359 12.010 1.00 0.63 N ATOM 2170 CA ARG A 148 1.848 7.420 12.163 1.00 0.65 C ATOM 2171 C ARG A 148 0.991 7.352 10.901 1.00 0.72 C ATOM 2172 O ARG A 148 1.154 6.431 10.110 1.00 1.33 O ATOM 2173 CB ARG A 148 1.012 7.693 13.428 1.00 0.84 C ATOM 2174 CG ARG A 148 -0.069 6.605 13.590 1.00 1.75 C ATOM 2175 CD ARG A 148 -0.980 6.840 14.799 1.00 1.97 C ATOM 2176 NE ARG A 148 -2.024 5.799 14.860 1.00 2.08 N ATOM 2177 CZ ARG A 148 -3.252 5.892 15.395 1.00 2.20 C ATOM 2178 NH1 ARG A 148 -3.748 7.072 15.775 1.00 2.45 N ATOM 2179 NH2 ARG A 148 -3.984 4.784 15.511 1.00 2.80 N ATOM 0 H ARG A 148 3.020 9.046 12.762 1.00 0.63 H new ATOM 0 HA ARG A 148 2.287 6.432 12.303 1.00 0.65 H new ATOM 0 HB2 ARG A 148 1.659 7.708 14.305 1.00 0.84 H new ATOM 0 HB3 ARG A 148 0.544 8.675 13.360 1.00 0.84 H new ATOM 0 HG2 ARG A 148 -0.677 6.568 12.686 1.00 1.75 H new ATOM 0 HG3 ARG A 148 0.414 5.633 13.690 1.00 1.75 H new ATOM 0 HD2 ARG A 148 -0.390 6.828 15.716 1.00 1.97 H new ATOM 0 HD3 ARG A 148 -1.442 7.825 14.730 1.00 1.97 H new ATOM 0 HE ARG A 148 -1.783 4.899 14.445 1.00 2.08 H new ATOM 0 HH11 ARG A 148 -3.192 7.920 15.660 1.00 2.45 H new ATOM 0 HH12 ARG A 148 -4.683 7.126 16.180 1.00 2.45 H new ATOM 0 HH21 ARG A 148 -3.608 3.889 15.196 1.00 2.80 H new ATOM 0 HH22 ARG A 148 -4.920 4.831 15.914 1.00 2.80 H new ATOM 2193 N HIS A 149 0.047 8.284 10.751 1.00 0.68 N ATOM 2194 CA HIS A 149 -0.975 8.217 9.720 1.00 0.99 C ATOM 2195 C HIS A 149 -0.386 8.608 8.369 1.00 0.89 C ATOM 2196 O HIS A 149 -0.511 9.754 7.943 1.00 1.12 O ATOM 2197 CB HIS A 149 -2.149 9.123 10.106 1.00 1.37 C ATOM 2198 CG HIS A 149 -2.869 8.659 11.345 1.00 1.61 C ATOM 2199 ND1 HIS A 149 -3.711 7.574 11.430 1.00 3.19 N ATOM 2200 CD2 HIS A 149 -2.817 9.245 12.583 1.00 1.05 C ATOM 2201 CE1 HIS A 149 -4.172 7.522 12.689 1.00 2.87 C ATOM 2202 NE2 HIS A 149 -3.643 8.507 13.440 1.00 1.35 N ATOM 0 H HIS A 149 -0.025 9.108 11.348 1.00 0.68 H new ATOM 0 HA HIS A 149 -1.345 7.195 9.634 1.00 0.99 H new ATOM 0 HB2 HIS A 149 -1.781 10.137 10.265 1.00 1.37 H new ATOM 0 HB3 HIS A 149 -2.855 9.166 9.277 1.00 1.37 H new ATOM 0 HD1 HIS A 149 -3.942 6.928 10.675 1.00 3.19 H new ATOM 0 HD2 HIS A 149 -2.242 10.119 12.850 1.00 1.05 H new ATOM 0 HE1 HIS A 149 -4.875 6.787 13.052 1.00 2.87 H new ATOM 2210 N ILE A 150 0.246 7.655 7.690 1.00 0.85 N ATOM 2211 CA ILE A 150 0.700 7.856 6.328 1.00 0.81 C ATOM 2212 C ILE A 150 -0.510 7.679 5.402 1.00 0.90 C ATOM 2213 O ILE A 150 -1.068 6.581 5.305 1.00 1.12 O ATOM 2214 CB ILE A 150 1.857 6.903 5.991 1.00 0.87 C ATOM 2215 CG1 ILE A 150 2.969 6.970 7.051 1.00 1.19 C ATOM 2216 CG2 ILE A 150 2.406 7.223 4.600 1.00 1.32 C ATOM 2217 CD1 ILE A 150 4.280 6.310 6.610 1.00 1.37 C ATOM 0 H ILE A 150 0.454 6.731 8.069 1.00 0.85 H new ATOM 0 HA ILE A 150 1.101 8.861 6.194 1.00 0.81 H new ATOM 0 HB ILE A 150 1.473 5.883 5.992 1.00 0.87 H new ATOM 0 HG12 ILE A 150 3.163 8.014 7.296 1.00 1.19 H new ATOM 0 HG13 ILE A 150 2.619 6.488 7.964 1.00 1.19 H new ATOM 0 HG21 ILE A 150 3.226 6.544 4.367 1.00 1.32 H new ATOM 0 HG22 ILE A 150 1.615 7.103 3.860 1.00 1.32 H new ATOM 0 HG23 ILE A 150 2.769 8.251 4.580 1.00 1.32 H new ATOM 0 HD11 ILE A 150 5.017 6.396 7.408 1.00 1.37 H new ATOM 0 HD12 ILE A 150 4.102 5.257 6.393 1.00 1.37 H new ATOM 0 HD13 ILE A 150 4.654 6.807 5.715 1.00 1.37 H new ATOM 2229 N GLY A 151 -0.926 8.760 4.739 1.00 0.80 N ATOM 2230 CA GLY A 151 -2.067 8.789 3.841 1.00 0.82 C ATOM 2231 C GLY A 151 -1.668 8.212 2.487 1.00 0.69 C ATOM 2232 O GLY A 151 -0.778 8.746 1.824 1.00 0.77 O ATOM 0 H GLY A 151 -0.459 9.663 4.819 1.00 0.80 H new ATOM 0 HA2 GLY A 151 -2.890 8.214 4.264 1.00 0.82 H new ATOM 0 HA3 GLY A 151 -2.422 9.813 3.721 1.00 0.82 H new ATOM 2236 N LEU A 152 -2.307 7.108 2.095 1.00 0.69 N ATOM 2237 CA LEU A 152 -1.964 6.312 0.927 1.00 0.86 C ATOM 2238 C LEU A 152 -2.954 6.661 -0.188 1.00 0.74 C ATOM 2239 O LEU A 152 -4.156 6.472 -0.003 1.00 0.66 O ATOM 2240 CB LEU A 152 -2.067 4.837 1.352 1.00 1.14 C ATOM 2241 CG LEU A 152 -1.285 3.805 0.539 1.00 0.95 C ATOM 2242 CD1 LEU A 152 -1.640 3.871 -0.950 1.00 0.97 C ATOM 2243 CD2 LEU A 152 0.219 3.944 0.775 1.00 0.96 C ATOM 0 H LEU A 152 -3.107 6.734 2.605 1.00 0.69 H new ATOM 0 HA LEU A 152 -0.958 6.507 0.555 1.00 0.86 H new ATOM 0 HB2 LEU A 152 -1.740 4.764 2.389 1.00 1.14 H new ATOM 0 HB3 LEU A 152 -3.119 4.554 1.329 1.00 1.14 H new ATOM 0 HG LEU A 152 -1.579 2.815 0.888 1.00 0.95 H new ATOM 0 HD11 LEU A 152 -1.064 3.123 -1.495 1.00 0.97 H new ATOM 0 HD12 LEU A 152 -2.704 3.675 -1.079 1.00 0.97 H new ATOM 0 HD13 LEU A 152 -1.404 4.862 -1.337 1.00 0.97 H new ATOM 0 HD21 LEU A 152 0.750 3.198 0.184 1.00 0.96 H new ATOM 0 HD22 LEU A 152 0.543 4.941 0.477 1.00 0.96 H new ATOM 0 HD23 LEU A 152 0.437 3.793 1.832 1.00 0.96 H new ATOM 2255 N ALA A 153 -2.486 7.174 -1.331 1.00 0.90 N ATOM 2256 CA ALA A 153 -3.366 7.553 -2.435 1.00 0.87 C ATOM 2257 C ALA A 153 -2.669 7.342 -3.779 1.00 0.76 C ATOM 2258 O ALA A 153 -1.491 7.678 -3.912 1.00 0.81 O ATOM 2259 CB ALA A 153 -3.784 9.017 -2.271 1.00 1.02 C ATOM 0 H ALA A 153 -1.496 7.336 -1.513 1.00 0.90 H new ATOM 0 HA ALA A 153 -4.254 6.921 -2.416 1.00 0.87 H new ATOM 0 HB1 ALA A 153 -4.440 9.302 -3.093 1.00 1.02 H new ATOM 0 HB2 ALA A 153 -4.312 9.141 -1.325 1.00 1.02 H new ATOM 0 HB3 ALA A 153 -2.898 9.651 -2.278 1.00 1.02 H new ATOM 2265 N ALA A 154 -3.394 6.799 -4.767 1.00 0.80 N ATOM 2266 CA ALA A 154 -2.894 6.569 -6.119 1.00 0.75 C ATOM 2267 C ALA A 154 -3.817 7.116 -7.200 1.00 0.78 C ATOM 2268 O ALA A 154 -4.949 7.502 -6.923 1.00 0.94 O ATOM 2269 CB ALA A 154 -2.752 5.069 -6.349 1.00 0.93 C ATOM 0 H ALA A 154 -4.362 6.504 -4.641 1.00 0.80 H new ATOM 0 HA ALA A 154 -1.940 7.091 -6.192 1.00 0.75 H new ATOM 0 HB1 ALA A 154 -2.379 4.889 -7.357 1.00 0.93 H new ATOM 0 HB2 ALA A 154 -2.052 4.654 -5.624 1.00 0.93 H new ATOM 0 HB3 ALA A 154 -3.724 4.589 -6.231 1.00 0.93 H new ATOM 2275 N LYS A 155 -3.324 7.074 -8.441 1.00 0.86 N ATOM 2276 CA LYS A 155 -4.092 7.155 -9.679 1.00 0.98 C ATOM 2277 C LYS A 155 -3.424 6.245 -10.695 1.00 1.26 C ATOM 2278 O LYS A 155 -2.205 6.106 -10.634 1.00 1.82 O ATOM 2279 CB LYS A 155 -4.079 8.572 -10.261 1.00 1.56 C ATOM 2280 CG LYS A 155 -4.626 9.561 -9.246 1.00 1.52 C ATOM 2281 CD LYS A 155 -4.854 10.937 -9.881 1.00 1.83 C ATOM 2282 CE LYS A 155 -5.505 11.915 -8.892 1.00 2.93 C ATOM 2283 NZ LYS A 155 -6.919 11.581 -8.619 1.00 3.25 N ATOM 0 H LYS A 155 -2.324 6.977 -8.614 1.00 0.86 H new ATOM 0 HA LYS A 155 -5.122 6.869 -9.467 1.00 0.98 H new ATOM 0 HB2 LYS A 155 -3.062 8.850 -10.539 1.00 1.56 H new ATOM 0 HB3 LYS A 155 -4.678 8.605 -11.171 1.00 1.56 H new ATOM 0 HG2 LYS A 155 -5.564 9.186 -8.838 1.00 1.52 H new ATOM 0 HG3 LYS A 155 -3.930 9.653 -8.412 1.00 1.52 H new ATOM 0 HD2 LYS A 155 -3.902 11.343 -10.222 1.00 1.83 H new ATOM 0 HD3 LYS A 155 -5.489 10.832 -10.761 1.00 1.83 H new ATOM 0 HE2 LYS A 155 -4.946 11.908 -7.957 1.00 2.93 H new ATOM 0 HE3 LYS A 155 -5.444 12.927 -9.292 1.00 2.93 H new ATOM 0 HZ1 LYS A 155 -7.319 12.279 -7.960 1.00 3.25 H new ATOM 0 HZ2 LYS A 155 -7.457 11.596 -9.509 1.00 3.25 H new ATOM 0 HZ3 LYS A 155 -6.976 10.633 -8.196 1.00 3.25 H new ATOM 2297 N GLN A 156 -4.177 5.670 -11.631 1.00 1.18 N ATOM 2298 CA GLN A 156 -3.600 5.250 -12.897 1.00 1.42 C ATOM 2299 C GLN A 156 -3.514 6.436 -13.859 1.00 1.95 C ATOM 2300 O GLN A 156 -2.723 6.329 -14.821 1.00 2.94 O ATOM 2301 CB GLN A 156 -4.361 4.059 -13.496 1.00 1.86 C ATOM 2302 CG GLN A 156 -5.768 4.429 -13.980 1.00 2.91 C ATOM 2303 CD GLN A 156 -6.578 3.249 -14.514 1.00 4.21 C ATOM 2304 OE1 GLN A 156 -7.265 3.357 -15.528 1.00 5.76 O ATOM 2305 NE2 GLN A 156 -6.594 2.126 -13.805 1.00 4.01 N ATOM 0 H GLN A 156 -5.176 5.488 -11.535 1.00 1.18 H new ATOM 0 HA GLN A 156 -2.584 4.899 -12.717 1.00 1.42 H new ATOM 0 HB2 GLN A 156 -3.790 3.653 -14.331 1.00 1.86 H new ATOM 0 HB3 GLN A 156 -4.436 3.270 -12.748 1.00 1.86 H new ATOM 0 HG2 GLN A 156 -6.315 4.887 -13.156 1.00 2.91 H new ATOM 0 HG3 GLN A 156 -5.684 5.182 -14.764 1.00 2.91 H new ATOM 0 HE21 GLN A 156 -6.021 2.045 -12.965 1.00 4.01 H new ATOM 0 HE22 GLN A 156 -7.179 1.345 -14.100 1.00 4.01 H new