USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 124 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 50 HIS : no HD1:sc= 0.701 K(o=1.3,f=-4.1!) USER MOD Set 1.2: A 57 HIS : no HE2:sc= 0.599 K(o=1.3,f=-2.8) USER MOD Set 2.1: A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 48 TYR OH : rot 115:sc= 0.907 USER MOD Set 3.1: A 21 TYR OH : rot 130:sc= 0.177 USER MOD Set 3.2: A 49 LYS NZ :NH3+ -167:sc= 0.559 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ 134:sc= 0.0308 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl -119:sc= -0.0257 (180deg=-0.221) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 37:sc= 0.71 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.0866 X(o=-0.087,f=-0.087) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 72:sc= 0.362 USER MOD Single : A 25 SER OG : rot -170:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 72:sc= 0.213 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN :FLIP amide:sc= -0.439 F(o=-1.1,f=-0.44) USER MOD Single : A 43 THR OG1 : rot 75:sc= 1.06 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -2.41 X(o=-2.4,f=-2.8!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 56.344 -13.926 3.915 1.00 0.00 N ATOM 2 CA ALA A 1 56.424 -15.319 3.423 1.00 0.00 C ATOM 3 C ALA A 1 55.466 -15.513 2.298 1.00 0.00 C ATOM 4 O ALA A 1 54.356 -14.975 2.314 1.00 0.00 O ATOM 5 CB ALA A 1 56.040 -16.312 4.535 1.00 0.00 C ATOM 0 H1 ALA A 1 56.304 -13.927 4.954 1.00 0.00 H new ATOM 0 H2 ALA A 1 57.184 -13.398 3.602 1.00 0.00 H new ATOM 0 H3 ALA A 1 55.489 -13.472 3.536 1.00 0.00 H new ATOM 0 HA ALA A 1 57.449 -15.499 3.098 1.00 0.00 H new ATOM 0 HB1 ALA A 1 56.106 -17.330 4.152 1.00 0.00 H new ATOM 0 HB2 ALA A 1 56.722 -16.197 5.377 1.00 0.00 H new ATOM 0 HB3 ALA A 1 55.020 -16.113 4.864 1.00 0.00 H new ATOM 9 N SER A 2 55.941 -16.248 1.268 1.00 0.00 N ATOM 10 CA SER A 2 55.170 -16.564 0.098 1.00 0.00 C ATOM 11 C SER A 2 54.322 -17.788 0.277 1.00 0.00 C ATOM 12 O SER A 2 53.142 -17.767 -0.074 1.00 0.00 O ATOM 13 CB SER A 2 56.035 -16.762 -1.163 1.00 0.00 C ATOM 14 OG SER A 2 56.750 -15.572 -1.465 1.00 0.00 O ATOM 0 H SER A 2 56.886 -16.632 1.249 1.00 0.00 H new ATOM 0 HA SER A 2 54.530 -15.693 -0.042 1.00 0.00 H new ATOM 0 HB2 SER A 2 56.734 -17.584 -1.007 1.00 0.00 H new ATOM 0 HB3 SER A 2 55.402 -17.037 -2.006 1.00 0.00 H new ATOM 0 HG SER A 2 57.296 -15.713 -2.267 1.00 0.00 H new ATOM 17 N MET A 3 54.901 -18.867 0.868 1.00 0.00 N ATOM 18 CA MET A 3 54.227 -20.127 1.074 1.00 0.00 C ATOM 19 C MET A 3 53.034 -19.980 1.974 1.00 0.00 C ATOM 20 O MET A 3 53.108 -19.373 3.045 1.00 0.00 O ATOM 21 CB MET A 3 55.164 -21.203 1.669 1.00 0.00 C ATOM 22 CG MET A 3 54.580 -22.619 1.761 1.00 0.00 C ATOM 23 SD MET A 3 55.718 -23.864 2.436 1.00 0.00 S ATOM 24 CE MET A 3 56.717 -24.042 0.930 1.00 0.00 C ATOM 0 H MET A 3 55.862 -18.861 1.210 1.00 0.00 H new ATOM 0 HA MET A 3 53.900 -20.450 0.086 1.00 0.00 H new ATOM 0 HB2 MET A 3 56.071 -21.243 1.065 1.00 0.00 H new ATOM 0 HB3 MET A 3 55.461 -20.887 2.669 1.00 0.00 H new ATOM 0 HG2 MET A 3 53.685 -22.589 2.382 1.00 0.00 H new ATOM 0 HG3 MET A 3 54.267 -22.934 0.766 1.00 0.00 H new ATOM 0 HE1 MET A 3 56.656 -25.070 0.572 1.00 0.00 H new ATOM 0 HE2 MET A 3 56.340 -23.367 0.161 1.00 0.00 H new ATOM 0 HE3 MET A 3 57.756 -23.796 1.151 1.00 0.00 H new ATOM 26 N GLY A 4 51.873 -20.423 1.442 1.00 0.00 N ATOM 27 CA GLY A 4 50.607 -20.389 2.120 1.00 0.00 C ATOM 28 C GLY A 4 49.876 -19.093 1.911 1.00 0.00 C ATOM 29 O GLY A 4 48.688 -19.014 2.225 1.00 0.00 O ATOM 0 H GLY A 4 51.815 -20.820 0.504 1.00 0.00 H new ATOM 0 HA2 GLY A 4 49.987 -21.213 1.766 1.00 0.00 H new ATOM 0 HA3 GLY A 4 50.766 -20.545 3.187 1.00 0.00 H new ATOM 31 N LYS A 5 50.564 -18.055 1.377 1.00 0.00 N ATOM 32 CA LYS A 5 49.993 -16.758 1.110 1.00 0.00 C ATOM 33 C LYS A 5 49.987 -16.509 -0.381 1.00 0.00 C ATOM 34 O LYS A 5 49.559 -15.447 -0.833 1.00 0.00 O ATOM 35 CB LYS A 5 50.767 -15.633 1.836 1.00 0.00 C ATOM 36 CG LYS A 5 50.651 -15.770 3.359 1.00 0.00 C ATOM 37 CD LYS A 5 51.356 -14.716 4.210 1.00 0.00 C ATOM 38 CE LYS A 5 51.214 -15.012 5.706 1.00 0.00 C ATOM 39 NZ LYS A 5 51.906 -13.991 6.514 1.00 0.00 N ATOM 0 H LYS A 5 51.550 -18.121 1.123 1.00 0.00 H new ATOM 0 HA LYS A 5 48.971 -16.750 1.490 1.00 0.00 H new ATOM 0 HB2 LYS A 5 51.817 -15.665 1.545 1.00 0.00 H new ATOM 0 HB3 LYS A 5 50.379 -14.663 1.525 1.00 0.00 H new ATOM 0 HG2 LYS A 5 49.593 -15.762 3.619 1.00 0.00 H new ATOM 0 HG3 LYS A 5 51.041 -16.748 3.641 1.00 0.00 H new ATOM 0 HD2 LYS A 5 52.413 -14.680 3.944 1.00 0.00 H new ATOM 0 HD3 LYS A 5 50.939 -13.733 3.992 1.00 0.00 H new ATOM 0 HE2 LYS A 5 50.158 -15.041 5.976 1.00 0.00 H new ATOM 0 HE3 LYS A 5 51.626 -15.997 5.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 51.795 -14.214 7.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 52.917 -13.982 6.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 51.494 -13.056 6.319 1.00 0.00 H new ATOM 44 N SER A 6 50.441 -17.515 -1.174 1.00 0.00 N ATOM 45 CA SER A 6 50.528 -17.512 -2.613 1.00 0.00 C ATOM 46 C SER A 6 49.164 -17.476 -3.249 1.00 0.00 C ATOM 47 O SER A 6 49.029 -17.035 -4.391 1.00 0.00 O ATOM 48 CB SER A 6 51.244 -18.767 -3.151 1.00 0.00 C ATOM 49 OG SER A 6 52.599 -18.787 -2.728 1.00 0.00 O ATOM 0 H SER A 6 50.771 -18.394 -0.775 1.00 0.00 H new ATOM 0 HA SER A 6 51.095 -16.617 -2.869 1.00 0.00 H new ATOM 0 HB2 SER A 6 50.734 -19.663 -2.798 1.00 0.00 H new ATOM 0 HB3 SER A 6 51.197 -18.781 -4.240 1.00 0.00 H new ATOM 0 HG SER A 6 52.662 -18.434 -1.816 1.00 0.00 H new ATOM 52 N LYS A 7 48.143 -17.981 -2.518 1.00 0.00 N ATOM 53 CA LYS A 7 46.758 -18.065 -2.895 1.00 0.00 C ATOM 54 C LYS A 7 46.064 -16.726 -2.871 1.00 0.00 C ATOM 55 O LYS A 7 46.580 -15.731 -2.357 1.00 0.00 O ATOM 56 CB LYS A 7 45.981 -19.048 -1.991 1.00 0.00 C ATOM 57 CG LYS A 7 46.432 -20.500 -2.181 1.00 0.00 C ATOM 58 CD LYS A 7 45.706 -21.523 -1.307 1.00 0.00 C ATOM 59 CE LYS A 7 46.171 -22.958 -1.563 1.00 0.00 C ATOM 60 NZ LYS A 7 45.406 -23.906 -0.729 1.00 0.00 N ATOM 0 H LYS A 7 48.303 -18.362 -1.585 1.00 0.00 H new ATOM 0 HA LYS A 7 46.758 -18.433 -3.921 1.00 0.00 H new ATOM 0 HB2 LYS A 7 46.117 -18.762 -0.948 1.00 0.00 H new ATOM 0 HB3 LYS A 7 44.915 -18.971 -2.207 1.00 0.00 H new ATOM 0 HG2 LYS A 7 46.292 -20.774 -3.227 1.00 0.00 H new ATOM 0 HG3 LYS A 7 47.501 -20.562 -1.975 1.00 0.00 H new ATOM 0 HD2 LYS A 7 45.866 -21.276 -0.257 1.00 0.00 H new ATOM 0 HD3 LYS A 7 44.634 -21.455 -1.491 1.00 0.00 H new ATOM 0 HE2 LYS A 7 46.042 -23.206 -2.617 1.00 0.00 H new ATOM 0 HE3 LYS A 7 47.235 -23.047 -1.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 45.734 -24.875 -0.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 45.550 -23.679 0.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 44.394 -23.833 -0.959 1.00 0.00 H new ATOM 65 N GLU A 8 44.853 -16.700 -3.474 1.00 0.00 N ATOM 66 CA GLU A 8 43.993 -15.550 -3.592 1.00 0.00 C ATOM 67 C GLU A 8 43.449 -15.107 -2.255 1.00 0.00 C ATOM 68 O GLU A 8 43.631 -15.778 -1.236 1.00 0.00 O ATOM 69 CB GLU A 8 42.799 -15.795 -4.547 1.00 0.00 C ATOM 70 CG GLU A 8 43.186 -16.054 -6.015 1.00 0.00 C ATOM 71 CD GLU A 8 43.695 -14.799 -6.746 1.00 0.00 C ATOM 72 OE1 GLU A 8 43.636 -13.655 -6.221 1.00 0.00 O ATOM 73 OE2 GLU A 8 44.162 -14.995 -7.897 1.00 0.00 O ATOM 0 H GLU A 8 44.450 -17.532 -3.905 1.00 0.00 H new ATOM 0 HA GLU A 8 44.626 -14.765 -4.007 1.00 0.00 H new ATOM 0 HB2 GLU A 8 42.229 -16.649 -4.181 1.00 0.00 H new ATOM 0 HB3 GLU A 8 42.138 -14.929 -4.508 1.00 0.00 H new ATOM 0 HG2 GLU A 8 43.958 -16.823 -6.049 1.00 0.00 H new ATOM 0 HG3 GLU A 8 42.320 -16.448 -6.547 1.00 0.00 H new ATOM 75 N ILE A 9 42.822 -13.899 -2.249 1.00 0.00 N ATOM 76 CA ILE A 9 42.202 -13.200 -1.139 1.00 0.00 C ATOM 77 C ILE A 9 43.237 -12.453 -0.315 1.00 0.00 C ATOM 78 O ILE A 9 42.891 -11.465 0.331 1.00 0.00 O ATOM 79 CB ILE A 9 41.247 -14.086 -0.303 1.00 0.00 C ATOM 80 CG1 ILE A 9 40.065 -14.526 -1.193 1.00 0.00 C ATOM 81 CG2 ILE A 9 40.713 -13.382 0.968 1.00 0.00 C ATOM 82 CD1 ILE A 9 39.184 -15.608 -0.570 1.00 0.00 C ATOM 0 H ILE A 9 42.742 -13.358 -3.110 1.00 0.00 H new ATOM 0 HA ILE A 9 41.542 -12.445 -1.565 1.00 0.00 H new ATOM 0 HB ILE A 9 41.820 -14.947 0.040 1.00 0.00 H new ATOM 0 HG12 ILE A 9 39.449 -13.655 -1.417 1.00 0.00 H new ATOM 0 HG13 ILE A 9 40.456 -14.893 -2.142 1.00 0.00 H new ATOM 0 HG21 ILE A 9 40.050 -14.059 1.507 1.00 0.00 H new ATOM 0 HG22 ILE A 9 41.550 -13.106 1.610 1.00 0.00 H new ATOM 0 HG23 ILE A 9 40.163 -12.485 0.683 1.00 0.00 H new ATOM 0 HD11 ILE A 9 38.377 -15.861 -1.258 1.00 0.00 H new ATOM 0 HD12 ILE A 9 39.784 -16.496 -0.372 1.00 0.00 H new ATOM 0 HD13 ILE A 9 38.761 -15.240 0.365 1.00 0.00 H new ATOM 84 N SER A 10 44.543 -12.811 -0.408 1.00 0.00 N ATOM 85 CA SER A 10 45.597 -12.163 0.340 1.00 0.00 C ATOM 86 C SER A 10 45.788 -10.739 -0.131 1.00 0.00 C ATOM 87 O SER A 10 45.783 -9.805 0.674 1.00 0.00 O ATOM 88 CB SER A 10 46.938 -12.912 0.183 1.00 0.00 C ATOM 89 OG SER A 10 46.855 -14.205 0.769 1.00 0.00 O ATOM 0 H SER A 10 44.873 -13.563 -1.013 1.00 0.00 H new ATOM 0 HA SER A 10 45.298 -12.173 1.388 1.00 0.00 H new ATOM 0 HB2 SER A 10 47.191 -13.000 -0.874 1.00 0.00 H new ATOM 0 HB3 SER A 10 47.738 -12.342 0.656 1.00 0.00 H new ATOM 0 HG SER A 10 47.711 -14.669 0.661 1.00 0.00 H new ATOM 92 N GLN A 11 45.895 -10.557 -1.468 1.00 0.00 N ATOM 93 CA GLN A 11 46.071 -9.275 -2.106 1.00 0.00 C ATOM 94 C GLN A 11 44.781 -8.518 -2.098 1.00 0.00 C ATOM 95 O GLN A 11 44.777 -7.301 -1.910 1.00 0.00 O ATOM 96 CB GLN A 11 46.559 -9.377 -3.569 1.00 0.00 C ATOM 97 CG GLN A 11 47.971 -9.970 -3.748 1.00 0.00 C ATOM 98 CD GLN A 11 49.026 -9.139 -3.010 1.00 0.00 C ATOM 99 OE1 GLN A 11 49.128 -7.921 -3.161 1.00 0.00 O ATOM 100 NE2 GLN A 11 49.849 -9.820 -2.170 1.00 0.00 N ATOM 0 H GLN A 11 45.858 -11.331 -2.131 1.00 0.00 H new ATOM 0 HA GLN A 11 46.840 -8.759 -1.532 1.00 0.00 H new ATOM 0 HB2 GLN A 11 45.852 -9.988 -4.130 1.00 0.00 H new ATOM 0 HB3 GLN A 11 46.541 -8.381 -4.012 1.00 0.00 H new ATOM 0 HG2 GLN A 11 47.987 -10.994 -3.375 1.00 0.00 H new ATOM 0 HG3 GLN A 11 48.217 -10.013 -4.809 1.00 0.00 H new ATOM 0 HE21 GLN A 11 49.745 -10.829 -2.061 1.00 0.00 H new ATOM 0 HE22 GLN A 11 50.570 -9.322 -1.648 1.00 0.00 H new ATOM 104 N ASP A 12 43.655 -9.255 -2.265 1.00 0.00 N ATOM 105 CA ASP A 12 42.321 -8.718 -2.296 1.00 0.00 C ATOM 106 C ASP A 12 41.972 -8.094 -0.978 1.00 0.00 C ATOM 107 O ASP A 12 41.290 -7.071 -0.964 1.00 0.00 O ATOM 108 CB ASP A 12 41.270 -9.794 -2.641 1.00 0.00 C ATOM 109 CG ASP A 12 41.328 -10.205 -4.119 1.00 0.00 C ATOM 110 OD1 ASP A 12 41.974 -9.522 -4.959 1.00 0.00 O ATOM 111 OD2 ASP A 12 40.702 -11.254 -4.423 1.00 0.00 O ATOM 0 H ASP A 12 43.678 -10.268 -2.383 1.00 0.00 H new ATOM 0 HA ASP A 12 42.305 -7.960 -3.080 1.00 0.00 H new ATOM 0 HB2 ASP A 12 41.431 -10.671 -2.015 1.00 0.00 H new ATOM 0 HB3 ASP A 12 40.275 -9.415 -2.409 1.00 0.00 H new ATOM 113 N LEU A 13 42.463 -8.672 0.151 1.00 0.00 N ATOM 114 CA LEU A 13 42.217 -8.156 1.474 1.00 0.00 C ATOM 115 C LEU A 13 42.887 -6.815 1.597 1.00 0.00 C ATOM 116 O LEU A 13 42.261 -5.875 2.083 1.00 0.00 O ATOM 117 CB LEU A 13 42.773 -9.071 2.595 1.00 0.00 C ATOM 118 CG LEU A 13 42.519 -8.617 4.056 1.00 0.00 C ATOM 119 CD1 LEU A 13 41.021 -8.535 4.402 1.00 0.00 C ATOM 120 CD2 LEU A 13 43.327 -9.470 5.044 1.00 0.00 C ATOM 0 H LEU A 13 43.041 -9.513 0.141 1.00 0.00 H new ATOM 0 HA LEU A 13 41.136 -8.093 1.599 1.00 0.00 H new ATOM 0 HB2 LEU A 13 42.343 -10.064 2.468 1.00 0.00 H new ATOM 0 HB3 LEU A 13 43.849 -9.169 2.452 1.00 0.00 H new ATOM 0 HG LEU A 13 42.883 -7.594 4.151 1.00 0.00 H new ATOM 0 HD11 LEU A 13 40.904 -8.212 5.437 1.00 0.00 H new ATOM 0 HD12 LEU A 13 40.534 -7.818 3.741 1.00 0.00 H new ATOM 0 HD13 LEU A 13 40.564 -9.516 4.274 1.00 0.00 H new ATOM 0 HD21 LEU A 13 43.131 -9.132 6.061 1.00 0.00 H new ATOM 0 HD22 LEU A 13 43.034 -10.515 4.947 1.00 0.00 H new ATOM 0 HD23 LEU A 13 44.390 -9.370 4.826 1.00 0.00 H new ATOM 122 N ARG A 14 44.140 -6.686 1.092 1.00 0.00 N ATOM 123 CA ARG A 14 44.885 -5.451 1.152 1.00 0.00 C ATOM 124 C ARG A 14 44.224 -4.381 0.328 1.00 0.00 C ATOM 125 O ARG A 14 44.157 -3.229 0.766 1.00 0.00 O ATOM 126 CB ARG A 14 46.342 -5.600 0.694 1.00 0.00 C ATOM 127 CG ARG A 14 47.203 -6.393 1.684 1.00 0.00 C ATOM 128 CD ARG A 14 48.672 -6.513 1.266 1.00 0.00 C ATOM 129 NE ARG A 14 49.251 -5.134 1.309 1.00 0.00 N ATOM 130 CZ ARG A 14 49.730 -4.559 2.458 1.00 0.00 C ATOM 131 NH1 ARG A 14 49.776 -5.228 3.649 1.00 0.00 N ATOM 132 NH2 ARG A 14 50.164 -3.269 2.404 1.00 0.00 N ATOM 0 H ARG A 14 44.642 -7.448 0.637 1.00 0.00 H new ATOM 0 HA ARG A 14 44.892 -5.166 2.204 1.00 0.00 H new ATOM 0 HB2 ARG A 14 46.363 -6.096 -0.276 1.00 0.00 H new ATOM 0 HB3 ARG A 14 46.776 -4.610 0.555 1.00 0.00 H new ATOM 0 HG2 ARG A 14 47.151 -5.914 2.662 1.00 0.00 H new ATOM 0 HG3 ARG A 14 46.784 -7.393 1.796 1.00 0.00 H new ATOM 0 HD2 ARG A 14 49.212 -7.179 1.939 1.00 0.00 H new ATOM 0 HD3 ARG A 14 48.755 -6.936 0.265 1.00 0.00 H new ATOM 0 HE ARG A 14 49.291 -4.596 0.443 1.00 0.00 H new ATOM 0 HH11 ARG A 14 49.446 -6.192 3.706 1.00 0.00 H new ATOM 0 HH12 ARG A 14 50.140 -4.764 4.481 1.00 0.00 H new ATOM 0 HH21 ARG A 14 50.128 -2.755 1.524 1.00 0.00 H new ATOM 0 HH22 ARG A 14 50.525 -2.817 3.244 1.00 0.00 H new ATOM 139 N LYS A 15 43.672 -4.762 -0.854 1.00 0.00 N ATOM 140 CA LYS A 15 42.989 -3.852 -1.744 1.00 0.00 C ATOM 141 C LYS A 15 41.766 -3.342 -1.048 1.00 0.00 C ATOM 142 O LYS A 15 41.502 -2.145 -1.099 1.00 0.00 O ATOM 143 CB LYS A 15 42.479 -4.523 -3.032 1.00 0.00 C ATOM 144 CG LYS A 15 43.550 -4.956 -4.029 1.00 0.00 C ATOM 145 CD LYS A 15 42.933 -5.640 -5.247 1.00 0.00 C ATOM 146 CE LYS A 15 43.942 -6.146 -6.275 1.00 0.00 C ATOM 147 NZ LYS A 15 43.222 -6.828 -7.367 1.00 0.00 N ATOM 0 H LYS A 15 43.702 -5.722 -1.197 1.00 0.00 H new ATOM 0 HA LYS A 15 43.710 -3.078 -2.005 1.00 0.00 H new ATOM 0 HB2 LYS A 15 41.893 -5.399 -2.754 1.00 0.00 H new ATOM 0 HB3 LYS A 15 41.801 -3.833 -3.534 1.00 0.00 H new ATOM 0 HG2 LYS A 15 44.124 -4.086 -4.350 1.00 0.00 H new ATOM 0 HG3 LYS A 15 44.248 -5.637 -3.542 1.00 0.00 H new ATOM 0 HD2 LYS A 15 42.329 -6.481 -4.907 1.00 0.00 H new ATOM 0 HD3 LYS A 15 42.257 -4.939 -5.736 1.00 0.00 H new ATOM 0 HE2 LYS A 15 44.524 -5.314 -6.671 1.00 0.00 H new ATOM 0 HE3 LYS A 15 44.646 -6.832 -5.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 43.905 -7.175 -8.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 42.685 -7.631 -6.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 42.567 -6.160 -7.821 1.00 0.00 H new ATOM 152 N ARG A 16 41.035 -4.235 -0.336 1.00 0.00 N ATOM 153 CA ARG A 16 39.843 -3.898 0.391 1.00 0.00 C ATOM 154 C ARG A 16 40.103 -3.008 1.557 1.00 0.00 C ATOM 155 O ARG A 16 39.220 -2.245 1.927 1.00 0.00 O ATOM 156 CB ARG A 16 39.017 -5.113 0.837 1.00 0.00 C ATOM 157 CG ARG A 16 38.278 -5.737 -0.349 1.00 0.00 C ATOM 158 CD ARG A 16 37.212 -6.770 0.018 1.00 0.00 C ATOM 159 NE ARG A 16 37.887 -8.023 0.484 1.00 0.00 N ATOM 160 CZ ARG A 16 38.274 -9.008 -0.389 1.00 0.00 C ATOM 161 NH1 ARG A 16 38.086 -8.900 -1.740 1.00 0.00 N ATOM 162 NH2 ARG A 16 38.875 -10.130 0.104 1.00 0.00 N ATOM 0 H ARG A 16 41.285 -5.222 -0.266 1.00 0.00 H new ATOM 0 HA ARG A 16 39.245 -3.349 -0.336 1.00 0.00 H new ATOM 0 HB2 ARG A 16 39.672 -5.855 1.294 1.00 0.00 H new ATOM 0 HB3 ARG A 16 38.299 -4.810 1.599 1.00 0.00 H new ATOM 0 HG2 ARG A 16 37.806 -4.939 -0.923 1.00 0.00 H new ATOM 0 HG3 ARG A 16 39.010 -6.210 -1.004 1.00 0.00 H new ATOM 0 HD2 ARG A 16 36.562 -6.379 0.801 1.00 0.00 H new ATOM 0 HD3 ARG A 16 36.580 -6.981 -0.844 1.00 0.00 H new ATOM 0 HE ARG A 16 38.064 -8.148 1.481 1.00 0.00 H new ATOM 0 HH11 ARG A 16 37.645 -8.066 -2.129 1.00 0.00 H new ATOM 0 HH12 ARG A 16 38.387 -9.653 -2.359 1.00 0.00 H new ATOM 0 HH21 ARG A 16 39.030 -10.226 1.108 1.00 0.00 H new ATOM 0 HH22 ARG A 16 39.169 -10.872 -0.531 1.00 0.00 H new ATOM 169 N ILE A 17 41.295 -3.077 2.188 1.00 0.00 N ATOM 170 CA ILE A 17 41.593 -2.216 3.310 1.00 0.00 C ATOM 171 C ILE A 17 41.752 -0.788 2.810 1.00 0.00 C ATOM 172 O ILE A 17 41.137 0.138 3.345 1.00 0.00 O ATOM 173 CB ILE A 17 42.831 -2.713 4.031 1.00 0.00 C ATOM 174 CG1 ILE A 17 42.486 -4.069 4.674 1.00 0.00 C ATOM 175 CG2 ILE A 17 43.321 -1.693 5.077 1.00 0.00 C ATOM 176 CD1 ILE A 17 43.677 -4.870 5.183 1.00 0.00 C ATOM 0 H ILE A 17 42.046 -3.717 1.930 1.00 0.00 H new ATOM 0 HA ILE A 17 40.775 -2.233 4.030 1.00 0.00 H new ATOM 0 HB ILE A 17 43.652 -2.837 3.325 1.00 0.00 H new ATOM 0 HG12 ILE A 17 41.804 -3.895 5.506 1.00 0.00 H new ATOM 0 HG13 ILE A 17 41.949 -4.673 3.943 1.00 0.00 H new ATOM 0 HG21 ILE A 17 44.210 -2.081 5.575 1.00 0.00 H new ATOM 0 HG22 ILE A 17 43.564 -0.753 4.582 1.00 0.00 H new ATOM 0 HG23 ILE A 17 42.537 -1.523 5.815 1.00 0.00 H new ATOM 0 HD11 ILE A 17 43.327 -5.807 5.617 1.00 0.00 H new ATOM 0 HD12 ILE A 17 44.352 -5.084 4.355 1.00 0.00 H new ATOM 0 HD13 ILE A 17 44.205 -4.294 5.942 1.00 0.00 H new ATOM 178 N VAL A 18 42.519 -0.621 1.710 1.00 0.00 N ATOM 179 CA VAL A 18 42.820 0.656 1.105 1.00 0.00 C ATOM 180 C VAL A 18 41.581 1.276 0.474 1.00 0.00 C ATOM 181 O VAL A 18 41.290 2.458 0.690 1.00 0.00 O ATOM 182 CB VAL A 18 43.969 0.449 0.115 1.00 0.00 C ATOM 183 CG1 VAL A 18 44.265 1.686 -0.730 1.00 0.00 C ATOM 184 CG2 VAL A 18 45.220 0.020 0.911 1.00 0.00 C ATOM 0 H VAL A 18 42.949 -1.405 1.219 1.00 0.00 H new ATOM 0 HA VAL A 18 43.139 1.375 1.860 1.00 0.00 H new ATOM 0 HB VAL A 18 43.674 -0.326 -0.592 1.00 0.00 H new ATOM 0 HG11 VAL A 18 45.089 1.473 -1.411 1.00 0.00 H new ATOM 0 HG12 VAL A 18 43.379 1.954 -1.306 1.00 0.00 H new ATOM 0 HG13 VAL A 18 44.538 2.515 -0.078 1.00 0.00 H new ATOM 0 HG21 VAL A 18 46.053 -0.134 0.225 1.00 0.00 H new ATOM 0 HG22 VAL A 18 45.480 0.799 1.628 1.00 0.00 H new ATOM 0 HG23 VAL A 18 45.012 -0.909 1.443 1.00 0.00 H new ATOM 186 N ASP A 19 40.790 0.461 -0.260 1.00 0.00 N ATOM 187 CA ASP A 19 39.593 0.893 -0.938 1.00 0.00 C ATOM 188 C ASP A 19 38.498 1.256 0.009 1.00 0.00 C ATOM 189 O ASP A 19 37.818 2.254 -0.229 1.00 0.00 O ATOM 190 CB ASP A 19 39.048 -0.129 -1.958 1.00 0.00 C ATOM 191 CG ASP A 19 39.919 -0.176 -3.220 1.00 0.00 C ATOM 192 OD1 ASP A 19 40.771 0.726 -3.452 1.00 0.00 O ATOM 193 OD2 ASP A 19 39.727 -1.152 -3.991 1.00 0.00 O ATOM 0 H ASP A 19 40.989 -0.531 -0.387 1.00 0.00 H new ATOM 0 HA ASP A 19 39.910 1.780 -1.486 1.00 0.00 H new ATOM 0 HB2 ASP A 19 39.012 -1.118 -1.501 1.00 0.00 H new ATOM 0 HB3 ASP A 19 38.026 0.134 -2.229 1.00 0.00 H new ATOM 195 N LEU A 20 38.313 0.482 1.110 1.00 0.00 N ATOM 196 CA LEU A 20 37.293 0.785 2.082 1.00 0.00 C ATOM 197 C LEU A 20 37.607 2.057 2.803 1.00 0.00 C ATOM 198 O LEU A 20 36.679 2.796 3.136 1.00 0.00 O ATOM 199 CB LEU A 20 36.970 -0.307 3.126 1.00 0.00 C ATOM 200 CG LEU A 20 36.237 -1.547 2.566 1.00 0.00 C ATOM 201 CD1 LEU A 20 36.111 -2.637 3.640 1.00 0.00 C ATOM 202 CD2 LEU A 20 34.880 -1.186 1.935 1.00 0.00 C ATOM 0 H LEU A 20 38.867 -0.347 1.324 1.00 0.00 H new ATOM 0 HA LEU A 20 36.395 0.869 1.470 1.00 0.00 H new ATOM 0 HB2 LEU A 20 37.901 -0.632 3.590 1.00 0.00 H new ATOM 0 HB3 LEU A 20 36.359 0.133 3.914 1.00 0.00 H new ATOM 0 HG LEU A 20 36.844 -1.953 1.757 1.00 0.00 H new ATOM 0 HD11 LEU A 20 35.592 -3.500 3.223 1.00 0.00 H new ATOM 0 HD12 LEU A 20 37.105 -2.937 3.972 1.00 0.00 H new ATOM 0 HD13 LEU A 20 35.547 -2.249 4.488 1.00 0.00 H new ATOM 0 HD21 LEU A 20 34.403 -2.090 1.556 1.00 0.00 H new ATOM 0 HD22 LEU A 20 34.240 -0.726 2.688 1.00 0.00 H new ATOM 0 HD23 LEU A 20 35.035 -0.486 1.114 1.00 0.00 H new ATOM 204 N TYR A 21 38.916 2.359 3.026 1.00 0.00 N ATOM 205 CA TYR A 21 39.321 3.574 3.694 1.00 0.00 C ATOM 206 C TYR A 21 38.876 4.760 2.864 1.00 0.00 C ATOM 207 O TYR A 21 38.341 5.718 3.420 1.00 0.00 O ATOM 208 CB TYR A 21 40.848 3.632 3.967 1.00 0.00 C ATOM 209 CG TYR A 21 41.189 4.895 4.699 1.00 0.00 C ATOM 210 CD1 TYR A 21 40.813 5.039 6.038 1.00 0.00 C ATOM 211 CD2 TYR A 21 41.903 5.926 4.081 1.00 0.00 C ATOM 212 CE1 TYR A 21 41.111 6.198 6.748 1.00 0.00 C ATOM 213 CE2 TYR A 21 42.206 7.089 4.792 1.00 0.00 C ATOM 214 CZ TYR A 21 41.807 7.231 6.124 1.00 0.00 C ATOM 215 OH TYR A 21 42.106 8.403 6.854 1.00 0.00 O ATOM 0 H TYR A 21 39.691 1.760 2.743 1.00 0.00 H new ATOM 0 HA TYR A 21 38.841 3.598 4.672 1.00 0.00 H new ATOM 0 HB2 TYR A 21 41.154 2.767 4.555 1.00 0.00 H new ATOM 0 HB3 TYR A 21 41.396 3.588 3.026 1.00 0.00 H new ATOM 0 HD1 TYR A 21 40.282 4.237 6.530 1.00 0.00 H new ATOM 0 HD2 TYR A 21 42.220 5.823 3.054 1.00 0.00 H new ATOM 0 HE1 TYR A 21 40.804 6.296 7.779 1.00 0.00 H new ATOM 0 HE2 TYR A 21 42.753 7.885 4.309 1.00 0.00 H new ATOM 0 HH TYR A 21 43.058 8.616 6.756 1.00 0.00 H new ATOM 218 N LYS A 22 39.040 4.678 1.520 1.00 0.00 N ATOM 219 CA LYS A 22 38.644 5.716 0.592 1.00 0.00 C ATOM 220 C LYS A 22 37.136 5.857 0.586 1.00 0.00 C ATOM 221 O LYS A 22 36.621 6.973 0.503 1.00 0.00 O ATOM 222 CB LYS A 22 39.074 5.376 -0.847 1.00 0.00 C ATOM 223 CG LYS A 22 38.819 6.442 -1.921 1.00 0.00 C ATOM 224 CD LYS A 22 39.300 5.979 -3.294 1.00 0.00 C ATOM 225 CE LYS A 22 39.137 6.966 -4.445 1.00 0.00 C ATOM 226 NZ LYS A 22 39.644 6.331 -5.680 1.00 0.00 N ATOM 0 H LYS A 22 39.460 3.868 1.064 1.00 0.00 H new ATOM 0 HA LYS A 22 39.127 6.638 0.916 1.00 0.00 H new ATOM 0 HB2 LYS A 22 40.141 5.153 -0.838 1.00 0.00 H new ATOM 0 HB3 LYS A 22 38.560 4.463 -1.147 1.00 0.00 H new ATOM 0 HG2 LYS A 22 37.754 6.668 -1.965 1.00 0.00 H new ATOM 0 HG3 LYS A 22 39.330 7.365 -1.647 1.00 0.00 H new ATOM 0 HD2 LYS A 22 40.356 5.720 -3.215 1.00 0.00 H new ATOM 0 HD3 LYS A 22 38.765 5.065 -3.551 1.00 0.00 H new ATOM 0 HE2 LYS A 22 38.089 7.241 -4.563 1.00 0.00 H new ATOM 0 HE3 LYS A 22 39.686 7.884 -4.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 39.541 6.991 -6.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 40.648 6.089 -5.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 39.100 5.466 -5.874 1.00 0.00 H new ATOM 231 N SER A 23 36.409 4.718 0.715 1.00 0.00 N ATOM 232 CA SER A 23 34.968 4.654 0.714 1.00 0.00 C ATOM 233 C SER A 23 34.352 5.235 1.962 1.00 0.00 C ATOM 234 O SER A 23 33.163 5.571 1.938 1.00 0.00 O ATOM 235 CB SER A 23 34.449 3.211 0.577 1.00 0.00 C ATOM 236 OG SER A 23 34.843 2.666 -0.674 1.00 0.00 O ATOM 0 H SER A 23 36.846 3.803 0.825 1.00 0.00 H new ATOM 0 HA SER A 23 34.672 5.248 -0.151 1.00 0.00 H new ATOM 0 HB2 SER A 23 34.840 2.597 1.389 1.00 0.00 H new ATOM 0 HB3 SER A 23 33.362 3.198 0.662 1.00 0.00 H new ATOM 0 HG SER A 23 35.806 2.485 -0.663 1.00 0.00 H new ATOM 239 N GLY A 24 35.140 5.415 3.056 1.00 0.00 N ATOM 240 CA GLY A 24 34.586 5.985 4.253 1.00 0.00 C ATOM 241 C GLY A 24 34.915 5.330 5.556 1.00 0.00 C ATOM 242 O GLY A 24 34.408 5.792 6.574 1.00 0.00 O ATOM 0 H GLY A 24 36.129 5.173 3.108 1.00 0.00 H new ATOM 0 HA2 GLY A 24 34.910 7.024 4.310 1.00 0.00 H new ATOM 0 HA3 GLY A 24 33.501 5.995 4.148 1.00 0.00 H new ATOM 244 N SER A 25 35.729 4.252 5.583 1.00 0.00 N ATOM 245 CA SER A 25 36.106 3.585 6.810 1.00 0.00 C ATOM 246 C SER A 25 37.168 4.354 7.561 1.00 0.00 C ATOM 247 O SER A 25 37.892 5.164 6.983 1.00 0.00 O ATOM 248 CB SER A 25 36.621 2.149 6.594 1.00 0.00 C ATOM 249 OG SER A 25 35.590 1.341 6.044 1.00 0.00 O ATOM 0 H SER A 25 36.134 3.834 4.745 1.00 0.00 H new ATOM 0 HA SER A 25 35.186 3.540 7.392 1.00 0.00 H new ATOM 0 HB2 SER A 25 37.482 2.159 5.926 1.00 0.00 H new ATOM 0 HB3 SER A 25 36.958 1.728 7.541 1.00 0.00 H new ATOM 0 HG SER A 25 35.869 0.402 6.056 1.00 0.00 H new ATOM 252 N SER A 26 37.218 4.148 8.899 1.00 0.00 N ATOM 253 CA SER A 26 38.157 4.764 9.802 1.00 0.00 C ATOM 254 C SER A 26 39.504 4.073 9.802 1.00 0.00 C ATOM 255 O SER A 26 39.642 2.944 9.323 1.00 0.00 O ATOM 256 CB SER A 26 37.624 4.794 11.254 1.00 0.00 C ATOM 257 OG SER A 26 37.512 3.479 11.790 1.00 0.00 O ATOM 0 H SER A 26 36.570 3.520 9.374 1.00 0.00 H new ATOM 0 HA SER A 26 38.282 5.782 9.434 1.00 0.00 H new ATOM 0 HB2 SER A 26 38.293 5.388 11.877 1.00 0.00 H new ATOM 0 HB3 SER A 26 36.650 5.283 11.276 1.00 0.00 H new ATOM 0 HG SER A 26 37.175 3.528 12.709 1.00 0.00 H new ATOM 260 N LEU A 27 40.534 4.762 10.364 1.00 0.00 N ATOM 261 CA LEU A 27 41.878 4.246 10.494 1.00 0.00 C ATOM 262 C LEU A 27 41.920 3.125 11.495 1.00 0.00 C ATOM 263 O LEU A 27 42.817 2.284 11.428 1.00 0.00 O ATOM 264 CB LEU A 27 42.915 5.289 10.971 1.00 0.00 C ATOM 265 CG LEU A 27 43.301 6.406 9.983 1.00 0.00 C ATOM 266 CD1 LEU A 27 44.169 7.467 10.672 1.00 0.00 C ATOM 267 CD2 LEU A 27 44.059 5.827 8.775 1.00 0.00 C ATOM 0 H LEU A 27 40.427 5.705 10.738 1.00 0.00 H new ATOM 0 HA LEU A 27 42.141 3.921 9.488 1.00 0.00 H new ATOM 0 HB2 LEU A 27 42.529 5.758 11.876 1.00 0.00 H new ATOM 0 HB3 LEU A 27 43.824 4.757 11.250 1.00 0.00 H new ATOM 0 HG LEU A 27 42.380 6.873 9.634 1.00 0.00 H new ATOM 0 HD11 LEU A 27 44.429 8.246 9.955 1.00 0.00 H new ATOM 0 HD12 LEU A 27 43.615 7.908 11.501 1.00 0.00 H new ATOM 0 HD13 LEU A 27 45.080 7.003 11.050 1.00 0.00 H new ATOM 0 HD21 LEU A 27 44.322 6.633 8.090 1.00 0.00 H new ATOM 0 HD22 LEU A 27 44.967 5.332 9.119 1.00 0.00 H new ATOM 0 HD23 LEU A 27 43.425 5.105 8.260 1.00 0.00 H new ATOM 269 N GLY A 28 40.926 3.073 12.421 1.00 0.00 N ATOM 270 CA GLY A 28 40.819 2.057 13.436 1.00 0.00 C ATOM 271 C GLY A 28 40.601 0.709 12.810 1.00 0.00 C ATOM 272 O GLY A 28 41.132 -0.284 13.304 1.00 0.00 O ATOM 0 H GLY A 28 40.175 3.762 12.461 1.00 0.00 H new ATOM 0 HA2 GLY A 28 41.726 2.041 14.040 1.00 0.00 H new ATOM 0 HA3 GLY A 28 39.993 2.291 14.107 1.00 0.00 H new ATOM 274 N ALA A 29 39.840 0.661 11.688 1.00 0.00 N ATOM 275 CA ALA A 29 39.557 -0.556 10.965 1.00 0.00 C ATOM 276 C ALA A 29 40.802 -1.054 10.278 1.00 0.00 C ATOM 277 O ALA A 29 41.039 -2.264 10.249 1.00 0.00 O ATOM 278 CB ALA A 29 38.473 -0.366 9.888 1.00 0.00 C ATOM 0 H ALA A 29 39.411 1.488 11.274 1.00 0.00 H new ATOM 0 HA ALA A 29 39.198 -1.273 11.703 1.00 0.00 H new ATOM 0 HB1 ALA A 29 38.300 -1.312 9.375 1.00 0.00 H new ATOM 0 HB2 ALA A 29 37.548 -0.033 10.358 1.00 0.00 H new ATOM 0 HB3 ALA A 29 38.803 0.382 9.167 1.00 0.00 H new ATOM 280 N ILE A 30 41.645 -0.117 9.755 1.00 0.00 N ATOM 281 CA ILE A 30 42.882 -0.443 9.073 1.00 0.00 C ATOM 282 C ILE A 30 43.821 -1.048 10.084 1.00 0.00 C ATOM 283 O ILE A 30 44.436 -2.074 9.803 1.00 0.00 O ATOM 284 CB ILE A 30 43.569 0.769 8.434 1.00 0.00 C ATOM 285 CG1 ILE A 30 42.719 1.309 7.280 1.00 0.00 C ATOM 286 CG2 ILE A 30 45.013 0.453 7.957 1.00 0.00 C ATOM 287 CD1 ILE A 30 43.236 2.647 6.766 1.00 0.00 C ATOM 0 H ILE A 30 41.462 0.885 9.808 1.00 0.00 H new ATOM 0 HA ILE A 30 42.638 -1.130 8.263 1.00 0.00 H new ATOM 0 HB ILE A 30 43.657 1.536 9.203 1.00 0.00 H new ATOM 0 HG12 ILE A 30 42.713 0.585 6.465 1.00 0.00 H new ATOM 0 HG13 ILE A 30 41.687 1.423 7.612 1.00 0.00 H new ATOM 0 HG21 ILE A 30 45.453 1.346 7.513 1.00 0.00 H new ATOM 0 HG22 ILE A 30 45.616 0.136 8.808 1.00 0.00 H new ATOM 0 HG23 ILE A 30 44.985 -0.345 7.215 1.00 0.00 H new ATOM 0 HD11 ILE A 30 42.603 2.992 5.948 1.00 0.00 H new ATOM 0 HD12 ILE A 30 43.217 3.379 7.573 1.00 0.00 H new ATOM 0 HD13 ILE A 30 44.259 2.529 6.408 1.00 0.00 H new ATOM 289 N SER A 31 43.889 -0.453 11.298 1.00 0.00 N ATOM 290 CA SER A 31 44.742 -0.885 12.375 1.00 0.00 C ATOM 291 C SER A 31 44.364 -2.267 12.823 1.00 0.00 C ATOM 292 O SER A 31 45.247 -3.061 13.141 1.00 0.00 O ATOM 293 CB SER A 31 44.641 0.047 13.596 1.00 0.00 C ATOM 294 OG SER A 31 45.132 1.338 13.269 1.00 0.00 O ATOM 0 H SER A 31 43.326 0.363 11.539 1.00 0.00 H new ATOM 0 HA SER A 31 45.761 -0.868 11.990 1.00 0.00 H new ATOM 0 HB2 SER A 31 43.604 0.117 13.925 1.00 0.00 H new ATOM 0 HB3 SER A 31 45.212 -0.367 14.427 1.00 0.00 H new ATOM 0 HG SER A 31 44.498 1.787 12.671 1.00 0.00 H new ATOM 297 N LYS A 32 43.051 -2.589 12.835 1.00 0.00 N ATOM 298 CA LYS A 32 42.573 -3.885 13.244 1.00 0.00 C ATOM 299 C LYS A 32 42.955 -4.961 12.265 1.00 0.00 C ATOM 300 O LYS A 32 43.474 -6.001 12.676 1.00 0.00 O ATOM 301 CB LYS A 32 41.034 -3.965 13.311 1.00 0.00 C ATOM 302 CG LYS A 32 40.340 -3.185 14.424 1.00 0.00 C ATOM 303 CD LYS A 32 38.817 -3.299 14.316 1.00 0.00 C ATOM 304 CE LYS A 32 38.029 -2.478 15.335 1.00 0.00 C ATOM 305 NZ LYS A 32 36.583 -2.619 15.062 1.00 0.00 N ATOM 0 H LYS A 32 42.311 -1.944 12.558 1.00 0.00 H new ATOM 0 HA LYS A 32 43.026 -4.031 14.225 1.00 0.00 H new ATOM 0 HB2 LYS A 32 40.636 -3.618 12.357 1.00 0.00 H new ATOM 0 HB3 LYS A 32 40.755 -5.014 13.410 1.00 0.00 H new ATOM 0 HG2 LYS A 32 40.667 -3.561 15.393 1.00 0.00 H new ATOM 0 HG3 LYS A 32 40.633 -2.136 14.373 1.00 0.00 H new ATOM 0 HD2 LYS A 32 38.516 -2.991 13.315 1.00 0.00 H new ATOM 0 HD3 LYS A 32 38.539 -4.347 14.425 1.00 0.00 H new ATOM 0 HE2 LYS A 32 38.255 -2.818 16.346 1.00 0.00 H new ATOM 0 HE3 LYS A 32 38.321 -1.429 15.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 36.043 -2.061 15.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 36.376 -2.275 14.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 36.312 -3.620 15.137 1.00 0.00 H new ATOM 310 N ARG A 33 42.745 -4.711 10.948 1.00 0.00 N ATOM 311 CA ARG A 33 43.019 -5.697 9.934 1.00 0.00 C ATOM 312 C ARG A 33 44.482 -5.896 9.652 1.00 0.00 C ATOM 313 O ARG A 33 44.946 -7.037 9.635 1.00 0.00 O ATOM 314 CB ARG A 33 42.309 -5.362 8.613 1.00 0.00 C ATOM 315 CG ARG A 33 40.784 -5.461 8.707 1.00 0.00 C ATOM 316 CD ARG A 33 40.059 -5.145 7.403 1.00 0.00 C ATOM 317 NE ARG A 33 38.610 -4.994 7.726 1.00 0.00 N ATOM 318 CZ ARG A 33 37.663 -4.820 6.752 1.00 0.00 C ATOM 319 NH1 ARG A 33 37.961 -4.934 5.423 1.00 0.00 N ATOM 320 NH2 ARG A 33 36.381 -4.536 7.126 1.00 0.00 N ATOM 0 H ARG A 33 42.386 -3.827 10.588 1.00 0.00 H new ATOM 0 HA ARG A 33 42.631 -6.627 10.349 1.00 0.00 H new ATOM 0 HB2 ARG A 33 42.583 -4.353 8.306 1.00 0.00 H new ATOM 0 HB3 ARG A 33 42.664 -6.039 7.835 1.00 0.00 H new ATOM 0 HG2 ARG A 33 40.515 -6.468 9.025 1.00 0.00 H new ATOM 0 HG3 ARG A 33 40.433 -4.778 9.480 1.00 0.00 H new ATOM 0 HD2 ARG A 33 40.451 -4.231 6.957 1.00 0.00 H new ATOM 0 HD3 ARG A 33 40.210 -5.943 6.676 1.00 0.00 H new ATOM 0 HE ARG A 33 38.316 -5.021 8.702 1.00 0.00 H new ATOM 0 HH11 ARG A 33 38.913 -5.155 5.131 1.00 0.00 H new ATOM 0 HH12 ARG A 33 37.231 -4.798 4.723 1.00 0.00 H new ATOM 0 HH21 ARG A 33 36.144 -4.457 8.115 1.00 0.00 H new ATOM 0 HH22 ARG A 33 35.660 -4.403 6.417 1.00 0.00 H new ATOM 327 N LEU A 34 45.234 -4.793 9.434 1.00 0.00 N ATOM 328 CA LEU A 34 46.651 -4.830 9.156 1.00 0.00 C ATOM 329 C LEU A 34 47.538 -5.060 10.337 1.00 0.00 C ATOM 330 O LEU A 34 48.593 -5.680 10.186 1.00 0.00 O ATOM 331 CB LEU A 34 47.205 -3.605 8.393 1.00 0.00 C ATOM 332 CG LEU A 34 46.743 -3.492 6.929 1.00 0.00 C ATOM 333 CD1 LEU A 34 47.210 -2.179 6.296 1.00 0.00 C ATOM 334 CD2 LEU A 34 47.236 -4.694 6.102 1.00 0.00 C ATOM 0 H LEU A 34 44.849 -3.849 9.451 1.00 0.00 H new ATOM 0 HA LEU A 34 46.690 -5.707 8.510 1.00 0.00 H new ATOM 0 HB2 LEU A 34 46.909 -2.700 8.923 1.00 0.00 H new ATOM 0 HB3 LEU A 34 48.294 -3.644 8.413 1.00 0.00 H new ATOM 0 HG LEU A 34 45.653 -3.497 6.928 1.00 0.00 H new ATOM 0 HD11 LEU A 34 46.867 -2.131 5.262 1.00 0.00 H new ATOM 0 HD12 LEU A 34 46.797 -1.339 6.855 1.00 0.00 H new ATOM 0 HD13 LEU A 34 48.299 -2.131 6.320 1.00 0.00 H new ATOM 0 HD21 LEU A 34 46.896 -4.590 5.071 1.00 0.00 H new ATOM 0 HD22 LEU A 34 48.325 -4.728 6.123 1.00 0.00 H new ATOM 0 HD23 LEU A 34 46.836 -5.615 6.525 1.00 0.00 H new ATOM 336 N ALA A 35 47.140 -4.542 11.523 1.00 0.00 N ATOM 337 CA ALA A 35 47.851 -4.639 12.779 1.00 0.00 C ATOM 338 C ALA A 35 49.039 -3.724 12.811 1.00 0.00 C ATOM 339 O ALA A 35 49.006 -2.740 13.550 1.00 0.00 O ATOM 340 CB ALA A 35 48.241 -6.069 13.231 1.00 0.00 C ATOM 0 H ALA A 35 46.267 -4.022 11.613 1.00 0.00 H new ATOM 0 HA ALA A 35 47.118 -4.313 13.516 1.00 0.00 H new ATOM 0 HB1 ALA A 35 48.768 -6.018 14.184 1.00 0.00 H new ATOM 0 HB2 ALA A 35 47.341 -6.672 13.346 1.00 0.00 H new ATOM 0 HB3 ALA A 35 48.889 -6.524 12.481 1.00 0.00 H new ATOM 342 N VAL A 36 50.094 -3.995 11.996 1.00 0.00 N ATOM 343 CA VAL A 36 51.273 -3.157 11.976 1.00 0.00 C ATOM 344 C VAL A 36 51.452 -2.672 10.547 1.00 0.00 C ATOM 345 O VAL A 36 52.013 -3.396 9.719 1.00 0.00 O ATOM 346 CB VAL A 36 52.556 -3.848 12.456 1.00 0.00 C ATOM 347 CG1 VAL A 36 53.735 -2.852 12.453 1.00 0.00 C ATOM 348 CG2 VAL A 36 52.340 -4.482 13.844 1.00 0.00 C ATOM 0 H VAL A 36 50.130 -4.788 11.356 1.00 0.00 H new ATOM 0 HA VAL A 36 51.113 -2.341 12.681 1.00 0.00 H new ATOM 0 HB VAL A 36 52.806 -4.654 11.766 1.00 0.00 H new ATOM 0 HG11 VAL A 36 54.638 -3.356 12.796 1.00 0.00 H new ATOM 0 HG12 VAL A 36 53.891 -2.476 11.442 1.00 0.00 H new ATOM 0 HG13 VAL A 36 53.509 -2.019 13.119 1.00 0.00 H new ATOM 0 HG21 VAL A 36 53.260 -4.968 14.169 1.00 0.00 H new ATOM 0 HG22 VAL A 36 52.067 -3.707 14.560 1.00 0.00 H new ATOM 0 HG23 VAL A 36 51.541 -5.221 13.786 1.00 0.00 H new ATOM 350 N PRO A 37 50.947 -1.486 10.204 1.00 0.00 N ATOM 351 CA PRO A 37 51.075 -0.914 8.881 1.00 0.00 C ATOM 352 C PRO A 37 52.475 -0.467 8.558 1.00 0.00 C ATOM 353 O PRO A 37 52.822 -0.443 7.377 1.00 0.00 O ATOM 354 CB PRO A 37 50.062 0.231 8.824 1.00 0.00 C ATOM 355 CG PRO A 37 49.825 0.625 10.292 1.00 0.00 C ATOM 356 CD PRO A 37 50.119 -0.656 11.080 1.00 0.00 C ATOM 0 HA PRO A 37 50.868 -1.664 8.117 1.00 0.00 H new ATOM 0 HB2 PRO A 37 50.448 1.071 8.247 1.00 0.00 H new ATOM 0 HB3 PRO A 37 49.135 -0.085 8.345 1.00 0.00 H new ATOM 0 HG2 PRO A 37 50.483 1.439 10.597 1.00 0.00 H new ATOM 0 HG3 PRO A 37 48.802 0.965 10.452 1.00 0.00 H new ATOM 0 HD2 PRO A 37 50.639 -0.431 12.011 1.00 0.00 H new ATOM 0 HD3 PRO A 37 49.196 -1.170 11.347 1.00 0.00 H new ATOM 357 N ARG A 38 53.282 -0.090 9.585 1.00 0.00 N ATOM 358 CA ARG A 38 54.570 0.547 9.432 1.00 0.00 C ATOM 359 C ARG A 38 54.480 1.870 8.704 1.00 0.00 C ATOM 360 O ARG A 38 53.395 2.364 8.387 1.00 0.00 O ATOM 361 CB ARG A 38 55.651 -0.364 8.790 1.00 0.00 C ATOM 362 CG ARG A 38 56.067 -1.548 9.658 1.00 0.00 C ATOM 363 CD ARG A 38 57.133 -2.419 8.999 1.00 0.00 C ATOM 364 NE ARG A 38 57.451 -3.532 9.940 1.00 0.00 N ATOM 365 CZ ARG A 38 58.338 -4.525 9.613 1.00 0.00 C ATOM 366 NH1 ARG A 38 58.971 -4.557 8.401 1.00 0.00 N ATOM 367 NH2 ARG A 38 58.596 -5.506 10.525 1.00 0.00 N ATOM 0 H ARG A 38 53.025 -0.236 10.561 1.00 0.00 H new ATOM 0 HA ARG A 38 54.899 0.745 10.452 1.00 0.00 H new ATOM 0 HB2 ARG A 38 55.275 -0.740 7.838 1.00 0.00 H new ATOM 0 HB3 ARG A 38 56.533 0.238 8.569 1.00 0.00 H new ATOM 0 HG2 ARG A 38 56.445 -1.179 10.611 1.00 0.00 H new ATOM 0 HG3 ARG A 38 55.190 -2.158 9.877 1.00 0.00 H new ATOM 0 HD2 ARG A 38 56.772 -2.812 8.049 1.00 0.00 H new ATOM 0 HD3 ARG A 38 58.026 -1.833 8.783 1.00 0.00 H new ATOM 0 HE ARG A 38 56.996 -3.555 10.852 1.00 0.00 H new ATOM 0 HH11 ARG A 38 58.788 -3.829 7.711 1.00 0.00 H new ATOM 0 HH12 ARG A 38 59.626 -5.309 8.187 1.00 0.00 H new ATOM 0 HH21 ARG A 38 58.132 -5.493 11.433 1.00 0.00 H new ATOM 0 HH22 ARG A 38 59.253 -6.253 10.299 1.00 0.00 H new ATOM 374 N SER A 39 55.651 2.484 8.439 1.00 0.00 N ATOM 375 CA SER A 39 55.755 3.743 7.765 1.00 0.00 C ATOM 376 C SER A 39 55.344 3.667 6.321 1.00 0.00 C ATOM 377 O SER A 39 54.681 4.583 5.840 1.00 0.00 O ATOM 378 CB SER A 39 57.182 4.322 7.861 1.00 0.00 C ATOM 379 OG SER A 39 58.121 3.474 7.211 1.00 0.00 O ATOM 0 H SER A 39 56.554 2.090 8.703 1.00 0.00 H new ATOM 0 HA SER A 39 55.061 4.408 8.278 1.00 0.00 H new ATOM 0 HB2 SER A 39 57.207 5.313 7.408 1.00 0.00 H new ATOM 0 HB3 SER A 39 57.460 4.443 8.908 1.00 0.00 H new ATOM 0 HG SER A 39 59.018 3.863 7.284 1.00 0.00 H new ATOM 382 N SER A 40 55.676 2.547 5.632 1.00 0.00 N ATOM 383 CA SER A 40 55.390 2.367 4.234 1.00 0.00 C ATOM 384 C SER A 40 53.928 2.337 3.898 1.00 0.00 C ATOM 385 O SER A 40 53.516 3.070 2.996 1.00 0.00 O ATOM 386 CB SER A 40 56.037 1.086 3.682 1.00 0.00 C ATOM 387 OG SER A 40 57.453 1.204 3.725 1.00 0.00 O ATOM 0 H SER A 40 56.153 1.752 6.057 1.00 0.00 H new ATOM 0 HA SER A 40 55.820 3.250 3.762 1.00 0.00 H new ATOM 0 HB2 SER A 40 55.717 0.224 4.268 1.00 0.00 H new ATOM 0 HB3 SER A 40 55.708 0.914 2.657 1.00 0.00 H new ATOM 0 HG SER A 40 57.860 0.385 3.374 1.00 0.00 H new ATOM 390 N VAL A 41 53.102 1.557 4.643 1.00 0.00 N ATOM 391 CA VAL A 41 51.690 1.484 4.348 1.00 0.00 C ATOM 392 C VAL A 41 51.033 2.783 4.735 1.00 0.00 C ATOM 393 O VAL A 41 50.188 3.262 3.980 1.00 0.00 O ATOM 394 CB VAL A 41 50.998 0.280 4.966 1.00 0.00 C ATOM 395 CG1 VAL A 41 49.466 0.309 4.776 1.00 0.00 C ATOM 396 CG2 VAL A 41 51.636 -0.984 4.363 1.00 0.00 C ATOM 0 H VAL A 41 53.404 0.988 5.434 1.00 0.00 H new ATOM 0 HA VAL A 41 51.583 1.334 3.274 1.00 0.00 H new ATOM 0 HB VAL A 41 51.142 0.292 6.046 1.00 0.00 H new ATOM 0 HG11 VAL A 41 49.025 -0.575 5.237 1.00 0.00 H new ATOM 0 HG12 VAL A 41 49.058 1.205 5.245 1.00 0.00 H new ATOM 0 HG13 VAL A 41 49.231 0.318 3.712 1.00 0.00 H new ATOM 0 HG21 VAL A 41 51.161 -1.869 4.787 1.00 0.00 H new ATOM 0 HG22 VAL A 41 51.498 -0.981 3.282 1.00 0.00 H new ATOM 0 HG23 VAL A 41 52.701 -0.999 4.593 1.00 0.00 H new ATOM 398 N GLN A 42 51.455 3.415 5.865 1.00 0.00 N ATOM 399 CA GLN A 42 50.869 4.661 6.310 1.00 0.00 C ATOM 400 C GLN A 42 51.068 5.773 5.317 1.00 0.00 C ATOM 401 O GLN A 42 50.152 6.570 5.111 1.00 0.00 O ATOM 402 CB GLN A 42 51.386 5.162 7.667 1.00 0.00 C ATOM 403 CG GLN A 42 50.892 4.327 8.853 1.00 0.00 C ATOM 404 CD GLN A 42 51.512 4.814 10.164 1.00 0.00 C ATOM 405 OE1 GLN A 42 51.319 3.981 11.218 1.00 0.00 O flip ATOM 406 NE2 GLN A 42 52.158 5.856 10.284 1.00 0.00 N flip ATOM 0 H GLN A 42 52.199 3.063 6.467 1.00 0.00 H new ATOM 0 HA GLN A 42 49.812 4.414 6.412 1.00 0.00 H new ATOM 0 HB2 GLN A 42 52.476 5.156 7.657 1.00 0.00 H new ATOM 0 HB3 GLN A 42 51.074 6.197 7.806 1.00 0.00 H new ATOM 0 HG2 GLN A 42 49.805 4.387 8.916 1.00 0.00 H new ATOM 0 HG3 GLN A 42 51.145 3.279 8.694 1.00 0.00 H new ATOM 0 HE21 GLN A 42 52.292 6.469 9.480 1.00 0.00 H new ATOM 0 HE22 GLN A 42 52.559 6.106 11.188 1.00 0.00 H new ATOM 410 N THR A 43 52.254 5.819 4.659 1.00 0.00 N ATOM 411 CA THR A 43 52.576 6.823 3.673 1.00 0.00 C ATOM 412 C THR A 43 51.689 6.642 2.454 1.00 0.00 C ATOM 413 O THR A 43 51.165 7.629 1.934 1.00 0.00 O ATOM 414 CB THR A 43 54.041 6.764 3.291 1.00 0.00 C ATOM 415 OG1 THR A 43 54.828 7.008 4.450 1.00 0.00 O ATOM 416 CG2 THR A 43 54.389 7.830 2.232 1.00 0.00 C ATOM 0 H THR A 43 53.004 5.145 4.815 1.00 0.00 H new ATOM 0 HA THR A 43 52.392 7.808 4.102 1.00 0.00 H new ATOM 0 HB THR A 43 54.246 5.778 2.875 1.00 0.00 H new ATOM 0 HG1 THR A 43 54.826 6.211 5.021 1.00 0.00 H new ATOM 0 HG21 THR A 43 55.447 7.761 1.980 1.00 0.00 H new ATOM 0 HG22 THR A 43 53.791 7.662 1.336 1.00 0.00 H new ATOM 0 HG23 THR A 43 54.175 8.822 2.630 1.00 0.00 H new ATOM 419 N ILE A 44 51.459 5.375 2.023 1.00 0.00 N ATOM 420 CA ILE A 44 50.645 5.059 0.866 1.00 0.00 C ATOM 421 C ILE A 44 49.201 5.434 1.130 1.00 0.00 C ATOM 422 O ILE A 44 48.575 6.038 0.259 1.00 0.00 O ATOM 423 CB ILE A 44 50.762 3.581 0.487 1.00 0.00 C ATOM 424 CG1 ILE A 44 52.195 3.300 -0.010 1.00 0.00 C ATOM 425 CG2 ILE A 44 49.714 3.166 -0.579 1.00 0.00 C ATOM 426 CD1 ILE A 44 52.522 1.813 -0.153 1.00 0.00 C ATOM 0 H ILE A 44 51.845 4.552 2.486 1.00 0.00 H new ATOM 0 HA ILE A 44 51.012 5.642 0.021 1.00 0.00 H new ATOM 0 HB ILE A 44 50.556 2.981 1.373 1.00 0.00 H new ATOM 0 HG12 ILE A 44 52.336 3.787 -0.975 1.00 0.00 H new ATOM 0 HG13 ILE A 44 52.904 3.753 0.683 1.00 0.00 H new ATOM 0 HG21 ILE A 44 49.835 2.109 -0.816 1.00 0.00 H new ATOM 0 HG22 ILE A 44 48.711 3.337 -0.189 1.00 0.00 H new ATOM 0 HG23 ILE A 44 49.858 3.760 -1.482 1.00 0.00 H new ATOM 0 HD11 ILE A 44 53.547 1.698 -0.507 1.00 0.00 H new ATOM 0 HD12 ILE A 44 52.415 1.322 0.814 1.00 0.00 H new ATOM 0 HD13 ILE A 44 51.838 1.357 -0.869 1.00 0.00 H new ATOM 428 N VAL A 45 48.675 5.150 2.349 1.00 0.00 N ATOM 429 CA VAL A 45 47.305 5.429 2.728 1.00 0.00 C ATOM 430 C VAL A 45 47.034 6.912 2.698 1.00 0.00 C ATOM 431 O VAL A 45 45.980 7.314 2.208 1.00 0.00 O ATOM 432 CB VAL A 45 46.946 4.809 4.082 1.00 0.00 C ATOM 433 CG1 VAL A 45 45.569 5.260 4.608 1.00 0.00 C ATOM 434 CG2 VAL A 45 46.954 3.278 3.910 1.00 0.00 C ATOM 0 H VAL A 45 49.217 4.713 3.094 1.00 0.00 H new ATOM 0 HA VAL A 45 46.655 4.957 1.991 1.00 0.00 H new ATOM 0 HB VAL A 45 47.680 5.142 4.816 1.00 0.00 H new ATOM 0 HG11 VAL A 45 45.374 4.786 5.570 1.00 0.00 H new ATOM 0 HG12 VAL A 45 45.563 6.343 4.729 1.00 0.00 H new ATOM 0 HG13 VAL A 45 44.795 4.970 3.897 1.00 0.00 H new ATOM 0 HG21 VAL A 45 46.702 2.804 4.859 1.00 0.00 H new ATOM 0 HG22 VAL A 45 46.221 2.993 3.155 1.00 0.00 H new ATOM 0 HG23 VAL A 45 47.945 2.953 3.594 1.00 0.00 H new ATOM 436 N ARG A 46 47.992 7.753 3.159 1.00 0.00 N ATOM 437 CA ARG A 46 47.802 9.183 3.160 1.00 0.00 C ATOM 438 C ARG A 46 47.703 9.745 1.769 1.00 0.00 C ATOM 439 O ARG A 46 46.845 10.592 1.517 1.00 0.00 O ATOM 440 CB ARG A 46 48.870 9.944 3.964 1.00 0.00 C ATOM 441 CG ARG A 46 48.670 9.765 5.474 1.00 0.00 C ATOM 442 CD ARG A 46 49.484 10.715 6.359 1.00 0.00 C ATOM 443 NE ARG A 46 50.933 10.351 6.292 1.00 0.00 N ATOM 444 CZ ARG A 46 51.501 9.436 7.142 1.00 0.00 C ATOM 445 NH1 ARG A 46 50.777 8.793 8.110 1.00 0.00 N ATOM 446 NH2 ARG A 46 52.833 9.169 7.024 1.00 0.00 N ATOM 0 H ARG A 46 48.892 7.446 3.528 1.00 0.00 H new ATOM 0 HA ARG A 46 46.849 9.337 3.666 1.00 0.00 H new ATOM 0 HB2 ARG A 46 49.861 9.588 3.682 1.00 0.00 H new ATOM 0 HB3 ARG A 46 48.829 11.004 3.714 1.00 0.00 H new ATOM 0 HG2 ARG A 46 47.613 9.899 5.702 1.00 0.00 H new ATOM 0 HG3 ARG A 46 48.926 8.739 5.739 1.00 0.00 H new ATOM 0 HD2 ARG A 46 49.342 11.744 6.030 1.00 0.00 H new ATOM 0 HD3 ARG A 46 49.132 10.658 7.389 1.00 0.00 H new ATOM 0 HE ARG A 46 51.520 10.799 5.589 1.00 0.00 H new ATOM 0 HH11 ARG A 46 49.782 8.989 8.217 1.00 0.00 H new ATOM 0 HH12 ARG A 46 51.233 8.118 8.724 1.00 0.00 H new ATOM 0 HH21 ARG A 46 53.388 9.646 6.314 1.00 0.00 H new ATOM 0 HH22 ARG A 46 53.275 8.492 7.646 1.00 0.00 H new ATOM 453 N LYS A 47 48.537 9.234 0.831 1.00 0.00 N ATOM 454 CA LYS A 47 48.559 9.655 -0.550 1.00 0.00 C ATOM 455 C LYS A 47 47.289 9.227 -1.233 1.00 0.00 C ATOM 456 O LYS A 47 46.705 10.002 -1.991 1.00 0.00 O ATOM 457 CB LYS A 47 49.694 8.981 -1.344 1.00 0.00 C ATOM 458 CG LYS A 47 51.111 9.421 -0.984 1.00 0.00 C ATOM 459 CD LYS A 47 52.167 8.677 -1.802 1.00 0.00 C ATOM 460 CE LYS A 47 53.606 9.015 -1.422 1.00 0.00 C ATOM 461 NZ LYS A 47 54.535 8.188 -2.218 1.00 0.00 N ATOM 0 H LYS A 47 49.218 8.504 1.040 1.00 0.00 H new ATOM 0 HA LYS A 47 48.690 10.737 -0.536 1.00 0.00 H new ATOM 0 HB2 LYS A 47 49.621 7.903 -1.200 1.00 0.00 H new ATOM 0 HB3 LYS A 47 49.533 9.173 -2.405 1.00 0.00 H new ATOM 0 HG2 LYS A 47 51.211 10.493 -1.152 1.00 0.00 H new ATOM 0 HG3 LYS A 47 51.286 9.247 0.078 1.00 0.00 H new ATOM 0 HD2 LYS A 47 52.014 7.604 -1.682 1.00 0.00 H new ATOM 0 HD3 LYS A 47 52.019 8.904 -2.858 1.00 0.00 H new ATOM 0 HE2 LYS A 47 53.801 10.073 -1.600 1.00 0.00 H new ATOM 0 HE3 LYS A 47 53.764 8.836 -0.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 55.515 8.419 -1.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 54.354 7.182 -2.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 54.391 8.380 -3.230 1.00 0.00 H new ATOM 466 N TYR A 48 46.812 7.994 -0.924 1.00 0.00 N ATOM 467 CA TYR A 48 45.637 7.411 -1.511 1.00 0.00 C ATOM 468 C TYR A 48 44.407 8.178 -1.093 1.00 0.00 C ATOM 469 O TYR A 48 43.533 8.410 -1.928 1.00 0.00 O ATOM 470 CB TYR A 48 45.502 5.914 -1.146 1.00 0.00 C ATOM 471 CG TYR A 48 44.415 5.261 -1.936 1.00 0.00 C ATOM 472 CD1 TYR A 48 44.641 4.952 -3.284 1.00 0.00 C ATOM 473 CD2 TYR A 48 43.184 4.929 -1.358 1.00 0.00 C ATOM 474 CE1 TYR A 48 43.653 4.333 -4.051 1.00 0.00 C ATOM 475 CE2 TYR A 48 42.199 4.306 -2.127 1.00 0.00 C ATOM 476 CZ TYR A 48 42.428 4.007 -3.473 1.00 0.00 C ATOM 477 OH TYR A 48 41.430 3.379 -4.251 1.00 0.00 O ATOM 0 H TYR A 48 47.263 7.385 -0.241 1.00 0.00 H new ATOM 0 HA TYR A 48 45.737 7.474 -2.595 1.00 0.00 H new ATOM 0 HB2 TYR A 48 46.447 5.405 -1.333 1.00 0.00 H new ATOM 0 HB3 TYR A 48 45.292 5.814 -0.081 1.00 0.00 H new ATOM 0 HD1 TYR A 48 45.592 5.196 -3.735 1.00 0.00 H new ATOM 0 HD2 TYR A 48 42.996 5.154 -0.319 1.00 0.00 H new ATOM 0 HE1 TYR A 48 43.838 4.107 -5.091 1.00 0.00 H new ATOM 0 HE2 TYR A 48 41.250 4.053 -1.677 1.00 0.00 H new ATOM 0 HH TYR A 48 41.268 2.475 -3.908 1.00 0.00 H new ATOM 480 N LYS A 49 44.336 8.607 0.191 1.00 0.00 N ATOM 481 CA LYS A 49 43.226 9.367 0.721 1.00 0.00 C ATOM 482 C LYS A 49 43.206 10.724 0.060 1.00 0.00 C ATOM 483 O LYS A 49 42.144 11.195 -0.349 1.00 0.00 O ATOM 484 CB LYS A 49 43.352 9.628 2.236 1.00 0.00 C ATOM 485 CG LYS A 49 42.163 10.369 2.863 1.00 0.00 C ATOM 486 CD LYS A 49 42.314 10.585 4.363 1.00 0.00 C ATOM 487 CE LYS A 49 41.123 11.281 5.014 1.00 0.00 C ATOM 488 NZ LYS A 49 41.313 11.279 6.475 1.00 0.00 N ATOM 0 H LYS A 49 45.067 8.422 0.878 1.00 0.00 H new ATOM 0 HA LYS A 49 42.326 8.783 0.530 1.00 0.00 H new ATOM 0 HB2 LYS A 49 43.476 8.673 2.746 1.00 0.00 H new ATOM 0 HB3 LYS A 49 44.258 10.206 2.417 1.00 0.00 H new ATOM 0 HG2 LYS A 49 42.047 11.336 2.373 1.00 0.00 H new ATOM 0 HG3 LYS A 49 41.250 9.804 2.674 1.00 0.00 H new ATOM 0 HD2 LYS A 49 42.465 9.619 4.845 1.00 0.00 H new ATOM 0 HD3 LYS A 49 43.211 11.176 4.546 1.00 0.00 H new ATOM 0 HE2 LYS A 49 41.036 12.303 4.646 1.00 0.00 H new ATOM 0 HE3 LYS A 49 40.197 10.768 4.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 40.423 11.546 6.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 41.596 10.328 6.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 42.055 11.962 6.729 1.00 0.00 H new ATOM 493 N HIS A 50 44.411 11.324 -0.108 1.00 0.00 N ATOM 494 CA HIS A 50 44.636 12.621 -0.697 1.00 0.00 C ATOM 495 C HIS A 50 44.162 12.695 -2.120 1.00 0.00 C ATOM 496 O HIS A 50 43.742 13.772 -2.546 1.00 0.00 O ATOM 497 CB HIS A 50 46.127 13.051 -0.644 1.00 0.00 C ATOM 498 CG HIS A 50 46.425 14.441 -1.148 1.00 0.00 C ATOM 499 ND1 HIS A 50 45.965 15.596 -0.555 1.00 0.00 N ATOM 500 CD2 HIS A 50 47.143 14.844 -2.233 1.00 0.00 C ATOM 501 CE1 HIS A 50 46.420 16.631 -1.306 1.00 0.00 C ATOM 502 NE2 HIS A 50 47.139 16.223 -2.335 1.00 0.00 N ATOM 0 H HIS A 50 45.279 10.875 0.185 1.00 0.00 H new ATOM 0 HA HIS A 50 44.049 13.310 -0.090 1.00 0.00 H new ATOM 0 HB2 HIS A 50 46.471 12.977 0.388 1.00 0.00 H new ATOM 0 HB3 HIS A 50 46.712 12.340 -1.227 1.00 0.00 H new ATOM 0 HD2 HIS A 50 47.646 14.178 -2.919 1.00 0.00 H new ATOM 0 HE1 HIS A 50 46.217 17.669 -1.087 1.00 0.00 H new ATOM 0 HE2 HIS A 50 47.591 16.797 -3.047 1.00 0.00 H new ATOM 504 N HIS A 51 44.164 11.551 -2.858 1.00 0.00 N ATOM 505 CA HIS A 51 43.745 11.515 -4.241 1.00 0.00 C ATOM 506 C HIS A 51 42.319 11.953 -4.427 1.00 0.00 C ATOM 507 O HIS A 51 41.992 12.491 -5.486 1.00 0.00 O ATOM 508 CB HIS A 51 43.873 10.132 -4.921 1.00 0.00 C ATOM 509 CG HIS A 51 45.286 9.706 -5.192 1.00 0.00 C ATOM 510 ND1 HIS A 51 46.221 10.486 -5.837 1.00 0.00 N ATOM 511 CD2 HIS A 51 45.920 8.539 -4.897 1.00 0.00 C ATOM 512 CE1 HIS A 51 47.367 9.761 -5.892 1.00 0.00 C ATOM 513 NE2 HIS A 51 47.233 8.573 -5.333 1.00 0.00 N ATOM 0 H HIS A 51 44.459 10.646 -2.491 1.00 0.00 H new ATOM 0 HA HIS A 51 44.438 12.211 -4.714 1.00 0.00 H new ATOM 0 HB2 HIS A 51 43.395 9.384 -4.289 1.00 0.00 H new ATOM 0 HB3 HIS A 51 43.325 10.151 -5.863 1.00 0.00 H new ATOM 0 HD2 HIS A 51 45.462 7.701 -4.392 1.00 0.00 H new ATOM 0 HE1 HIS A 51 48.283 10.115 -6.341 1.00 0.00 H new ATOM 0 HE2 HIS A 51 47.939 7.843 -5.243 1.00 0.00 H new ATOM 515 N GLY A 52 41.453 11.766 -3.396 1.00 0.00 N ATOM 516 CA GLY A 52 40.070 12.167 -3.462 1.00 0.00 C ATOM 517 C GLY A 52 39.921 13.663 -3.454 1.00 0.00 C ATOM 518 O GLY A 52 38.949 14.179 -4.010 1.00 0.00 O ATOM 0 H GLY A 52 41.717 11.333 -2.511 1.00 0.00 H new ATOM 0 HA2 GLY A 52 39.617 11.762 -4.367 1.00 0.00 H new ATOM 0 HA3 GLY A 52 39.528 11.743 -2.617 1.00 0.00 H new ATOM 520 N THR A 53 40.877 14.385 -2.816 1.00 0.00 N ATOM 521 CA THR A 53 40.831 15.819 -2.744 1.00 0.00 C ATOM 522 C THR A 53 41.413 16.377 -4.021 1.00 0.00 C ATOM 523 O THR A 53 40.710 17.087 -4.743 1.00 0.00 O ATOM 524 CB THR A 53 41.611 16.335 -1.547 1.00 0.00 C ATOM 525 OG1 THR A 53 41.086 15.775 -0.350 1.00 0.00 O ATOM 526 CG2 THR A 53 41.495 17.872 -1.459 1.00 0.00 C ATOM 0 H THR A 53 41.683 13.969 -2.350 1.00 0.00 H new ATOM 0 HA THR A 53 39.796 16.140 -2.624 1.00 0.00 H new ATOM 0 HB THR A 53 42.656 16.049 -1.668 1.00 0.00 H new ATOM 0 HG1 THR A 53 41.594 16.110 0.418 1.00 0.00 H new ATOM 0 HG21 THR A 53 42.058 18.231 -0.597 1.00 0.00 H new ATOM 0 HG22 THR A 53 41.898 18.320 -2.367 1.00 0.00 H new ATOM 0 HG23 THR A 53 40.447 18.152 -1.350 1.00 0.00 H new ATOM 529 N THR A 54 42.689 16.036 -4.343 1.00 0.00 N ATOM 530 CA THR A 54 43.339 16.527 -5.536 1.00 0.00 C ATOM 531 C THR A 54 44.329 15.472 -5.951 1.00 0.00 C ATOM 532 O THR A 54 45.317 15.231 -5.251 1.00 0.00 O ATOM 533 CB THR A 54 44.084 17.841 -5.322 1.00 0.00 C ATOM 534 OG1 THR A 54 43.203 18.842 -4.828 1.00 0.00 O ATOM 535 CG2 THR A 54 44.660 18.336 -6.664 1.00 0.00 C ATOM 0 H THR A 54 43.270 15.419 -3.775 1.00 0.00 H new ATOM 0 HA THR A 54 42.578 16.723 -6.291 1.00 0.00 H new ATOM 0 HB THR A 54 44.882 17.663 -4.601 1.00 0.00 H new ATOM 0 HG1 THR A 54 43.698 19.677 -4.695 1.00 0.00 H new ATOM 0 HG21 THR A 54 45.191 19.275 -6.508 1.00 0.00 H new ATOM 0 HG22 THR A 54 45.349 17.591 -7.061 1.00 0.00 H new ATOM 0 HG23 THR A 54 43.847 18.493 -7.373 1.00 0.00 H new ATOM 538 N GLN A 55 44.051 14.787 -7.085 1.00 0.00 N ATOM 539 CA GLN A 55 44.936 13.769 -7.583 1.00 0.00 C ATOM 540 C GLN A 55 46.066 14.376 -8.377 1.00 0.00 C ATOM 541 O GLN A 55 47.235 14.067 -8.134 1.00 0.00 O ATOM 542 CB GLN A 55 44.200 12.730 -8.463 1.00 0.00 C ATOM 543 CG GLN A 55 45.070 11.546 -8.921 1.00 0.00 C ATOM 544 CD GLN A 55 44.270 10.524 -9.730 1.00 0.00 C ATOM 545 OE1 GLN A 55 43.065 10.608 -9.972 1.00 0.00 O ATOM 546 NE2 GLN A 55 45.007 9.485 -10.196 1.00 0.00 N ATOM 0 H GLN A 55 43.218 14.938 -7.653 1.00 0.00 H new ATOM 0 HA GLN A 55 45.336 13.256 -6.708 1.00 0.00 H new ATOM 0 HB2 GLN A 55 43.346 12.343 -7.907 1.00 0.00 H new ATOM 0 HB3 GLN A 55 43.804 13.235 -9.344 1.00 0.00 H new ATOM 0 HG2 GLN A 55 45.898 11.917 -9.524 1.00 0.00 H new ATOM 0 HG3 GLN A 55 45.505 11.057 -8.049 1.00 0.00 H new ATOM 0 HE21 GLN A 55 46.004 9.432 -9.986 1.00 0.00 H new ATOM 0 HE22 GLN A 55 44.565 8.757 -10.757 1.00 0.00 H new ATOM 550 N HIS A 56 45.733 15.274 -9.335 1.00 0.00 N ATOM 551 CA HIS A 56 46.736 15.889 -10.168 1.00 0.00 C ATOM 552 C HIS A 56 46.885 17.333 -9.831 1.00 0.00 C ATOM 553 O HIS A 56 45.897 18.065 -9.745 1.00 0.00 O ATOM 554 CB HIS A 56 46.459 15.735 -11.679 1.00 0.00 C ATOM 555 CG HIS A 56 46.424 14.291 -12.099 1.00 0.00 C ATOM 556 ND1 HIS A 56 47.543 13.522 -12.338 1.00 0.00 N ATOM 557 CD2 HIS A 56 45.360 13.462 -12.284 1.00 0.00 C ATOM 558 CE1 HIS A 56 47.102 12.275 -12.647 1.00 0.00 C ATOM 559 NE2 HIS A 56 45.785 12.190 -12.626 1.00 0.00 N ATOM 0 H HIS A 56 44.778 15.572 -9.532 1.00 0.00 H new ATOM 0 HA HIS A 56 47.665 15.359 -9.959 1.00 0.00 H new ATOM 0 HB2 HIS A 56 45.508 16.207 -11.924 1.00 0.00 H new ATOM 0 HB3 HIS A 56 47.230 16.259 -12.245 1.00 0.00 H new ATOM 0 HD2 HIS A 56 44.326 13.756 -12.178 1.00 0.00 H new ATOM 0 HE1 HIS A 56 47.755 11.447 -12.883 1.00 0.00 H new ATOM 0 HE2 HIS A 56 45.209 11.370 -12.819 1.00 0.00 H new ATOM 561 N HIS A 57 48.151 17.761 -9.629 1.00 0.00 N ATOM 562 CA HIS A 57 48.471 19.118 -9.287 1.00 0.00 C ATOM 563 C HIS A 57 49.221 19.702 -10.481 1.00 0.00 C ATOM 564 O HIS A 57 50.294 19.160 -10.859 1.00 0.00 O ATOM 565 CB HIS A 57 49.373 19.237 -8.033 1.00 0.00 C ATOM 566 CG HIS A 57 48.935 18.397 -6.862 1.00 0.00 C ATOM 567 ND1 HIS A 57 49.059 17.024 -6.811 1.00 0.00 N ATOM 568 CD2 HIS A 57 48.353 18.757 -5.686 1.00 0.00 C ATOM 569 CE1 HIS A 57 48.551 16.627 -5.617 1.00 0.00 C ATOM 570 NE2 HIS A 57 48.110 17.644 -4.899 1.00 0.00 N ATOM 571 OXT HIS A 57 48.716 20.705 -11.046 1.00 0.00 O ATOM 0 H HIS A 57 48.966 17.153 -9.705 1.00 0.00 H new ATOM 0 HA HIS A 57 47.546 19.646 -9.057 1.00 0.00 H new ATOM 0 HB2 HIS A 57 50.390 18.955 -8.305 1.00 0.00 H new ATOM 0 HB3 HIS A 57 49.404 20.281 -7.722 1.00 0.00 H new ATOM 0 HD1 HIS A 57 49.456 16.422 -7.533 1.00 0.00 H new ATOM 0 HD2 HIS A 57 48.113 19.772 -5.405 1.00 0.00 H new ATOM 0 HE1 HIS A 57 48.512 15.598 -5.291 1.00 0.00 H new TER 573 HIS A 57